smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](Cc1ccsc1)[N@H+](C)CC(F)F ZINC000081599789 398140106 /nfs/dbraw/zinc/14/01/06/398140106.db2.gz OJPAUAVQDRFBKR-MRVPVSSYSA-N 1 2 219.300 2.876 20 0 BFADLO C[C@H](Cc1ccsc1)[N@@H+](C)CC(F)F ZINC000081599789 398140109 /nfs/dbraw/zinc/14/01/09/398140109.db2.gz OJPAUAVQDRFBKR-MRVPVSSYSA-N 1 2 219.300 2.876 20 0 BFADLO Cc1cc(F)ccc1C[NH2+]CC(C)(F)F ZINC000378726211 346815822 /nfs/dbraw/zinc/81/58/22/346815822.db2.gz ISFMAVVDPIMNQZ-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO COCc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389925871 398149229 /nfs/dbraw/zinc/14/92/29/398149229.db2.gz CLXSKSBLXQKFGX-SECBINFHSA-N 1 2 229.270 2.576 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3c(F)cccc3C2)on1 ZINC000270230383 178003116 /nfs/dbraw/zinc/00/31/16/178003116.db2.gz UCTDCWIMKZGCDV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(C[N@H+]2CCc3c(F)cccc3C2)on1 ZINC000270230383 178003118 /nfs/dbraw/zinc/00/31/18/178003118.db2.gz UCTDCWIMKZGCDV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389949058 398151165 /nfs/dbraw/zinc/15/11/65/398151165.db2.gz VWYBOCWVTNVZIV-SECBINFHSA-N 1 2 229.270 2.829 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cncc(F)c1 ZINC000389968957 398153256 /nfs/dbraw/zinc/15/32/56/398153256.db2.gz QNVRIZKXWOVOAX-RNFRBKRXSA-N 1 2 218.222 2.525 20 0 BFADLO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(F)F)CC2 ZINC000389945144 398154118 /nfs/dbraw/zinc/15/41/18/398154118.db2.gz SSKXIYSLPSAPHR-QPUJVOFHSA-N 1 2 241.281 2.926 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ncc(C)s2)on1 ZINC000185008644 178038618 /nfs/dbraw/zinc/03/86/18/178038618.db2.gz OBKFADCXIJLCKD-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000424204864 398174958 /nfs/dbraw/zinc/17/49/58/398174958.db2.gz VRBUMSBKZNZVNM-QWHCGFSZSA-N 1 2 248.326 2.870 20 0 BFADLO Cc1cc(Cl)ccc1OCc1c[nH+]cn1C ZINC000267818541 178070665 /nfs/dbraw/zinc/07/06/65/178070665.db2.gz WMBHBXZHUCTICG-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO Cc1c[nH+]c(CNc2cc(C)cc(F)c2)n1C ZINC000341259350 178079609 /nfs/dbraw/zinc/07/96/09/178079609.db2.gz MGTOCRUCWMLHCW-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1cc(N(C)C(C)C)nc(C2CC2)[nH+]1 ZINC000265378972 178093053 /nfs/dbraw/zinc/09/30/53/178093053.db2.gz QSHLOQXLWLPGEC-UHFFFAOYSA-N 1 2 205.305 2.507 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCOC1 ZINC000070464075 178095459 /nfs/dbraw/zinc/09/54/59/178095459.db2.gz QGROTHUQZKUILJ-GFCCVEGCSA-N 1 2 234.343 2.652 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000270173116 178100213 /nfs/dbraw/zinc/10/02/13/178100213.db2.gz LNZFIAVGYZRQNI-LLVKDONJSA-N 1 2 249.383 2.604 20 0 BFADLO Cc1cc(N(C)[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000301237065 178100401 /nfs/dbraw/zinc/10/04/01/178100401.db2.gz DPOZWVCHLXDDQS-LBPRGKRZSA-N 1 2 227.311 2.982 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000301246472 178101185 /nfs/dbraw/zinc/10/11/85/178101185.db2.gz OFTSFAVOUZPZBZ-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N(CC(F)F)CC2CCC2)nc[nH+]1 ZINC000341335912 178101918 /nfs/dbraw/zinc/10/19/18/178101918.db2.gz RJJAJOKFFGXDKQ-UHFFFAOYSA-N 1 2 241.285 2.657 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@H](C)C[C@H]1C ZINC000334289701 398195918 /nfs/dbraw/zinc/19/59/18/398195918.db2.gz LHGSXRYBFPWJIP-NXEZZACHSA-N 1 2 233.315 2.713 20 0 BFADLO Cc1cc(N2CCCO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000340151687 178114417 /nfs/dbraw/zinc/11/44/17/178114417.db2.gz GDYDBIXZNXNNBI-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc(N2CC[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000374323857 178119118 /nfs/dbraw/zinc/11/91/18/178119118.db2.gz JXBYDQNWFPAJNV-ZDUSSCGKSA-N 1 2 243.354 2.899 20 0 BFADLO Cc1cc(N2CC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301138308 178119275 /nfs/dbraw/zinc/11/92/75/178119275.db2.gz FEZKJBHOGYKPRT-JTQLQIEISA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cc(NC(=O)NCCC2(C)CC2)cc[nH+]1 ZINC000279467383 178139568 /nfs/dbraw/zinc/13/95/68/178139568.db2.gz NMKNRCMNYKQRDY-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO Cc1cc(NC(=O)NCCC(C)C)cc[nH+]1 ZINC000119675724 178139587 /nfs/dbraw/zinc/13/95/87/178139587.db2.gz KRODYVUACCUURN-UHFFFAOYSA-N 1 2 221.304 2.558 20 0 BFADLO Cc1cc(NC(=O)NCC2(C(C)C)CC2)cc[nH+]1 ZINC000119466957 178139930 /nfs/dbraw/zinc/13/99/30/178139930.db2.gz PJKKXNZTDXELMA-UHFFFAOYSA-N 1 2 247.342 2.948 20 0 BFADLO Cc1nc(NCCc2cc[nH+]cc2C)sc1C ZINC000339057094 187327988 /nfs/dbraw/zinc/32/79/88/187327988.db2.gz REZPCZMQISYASN-UHFFFAOYSA-N 1 2 247.367 2.540 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2C(C)C)cc[nH+]1 ZINC000186025288 178145722 /nfs/dbraw/zinc/14/57/22/178145722.db2.gz KFKXRPUZQVUWII-VXGBXAGGSA-N 1 2 218.300 2.621 20 0 BFADLO Oc1ccc(Sc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339130826 187328909 /nfs/dbraw/zinc/32/89/09/187328909.db2.gz FGHSZHRURHHELG-UHFFFAOYSA-N 1 2 243.291 2.815 20 0 BFADLO Cc1cc(NC(C)C)nc(-c2cccnc2)[nH+]1 ZINC000299273552 178152480 /nfs/dbraw/zinc/15/24/80/178152480.db2.gz PAZVUJKTSVBIJS-UHFFFAOYSA-N 1 2 228.299 2.667 20 0 BFADLO Cc1cc(NC2(Cc3ccccc3)CC2)nc[nH+]1 ZINC000357530374 178153213 /nfs/dbraw/zinc/15/32/13/178153213.db2.gz JPGQDDKMGYEYSU-UHFFFAOYSA-N 1 2 239.322 2.972 20 0 BFADLO Cc1cc(NC2CCC3(CC3)CC2)nc[nH+]1 ZINC000309845204 178154882 /nfs/dbraw/zinc/15/48/82/178154882.db2.gz GERGZBFTZOKFLH-UHFFFAOYSA-N 1 2 217.316 2.920 20 0 BFADLO Cc1cc(NC2CCCCCC2)nc[nH+]1 ZINC000040727121 178155447 /nfs/dbraw/zinc/15/54/47/178155447.db2.gz BASJLAXOTLIGRO-UHFFFAOYSA-N 1 2 205.305 2.920 20 0 BFADLO Cc1cc(NCCCOC2CCCCC2)nc[nH+]1 ZINC000301283233 178159195 /nfs/dbraw/zinc/15/91/95/178159195.db2.gz YIPUJRZESPRWBT-UHFFFAOYSA-N 1 2 249.358 2.936 20 0 BFADLO Cc1cc(NCCCNc2ccccc2)nc[nH+]1 ZINC000301227378 178160351 /nfs/dbraw/zinc/16/03/51/178160351.db2.gz GTOISPZOQHLKNW-UHFFFAOYSA-N 1 2 242.326 2.699 20 0 BFADLO Cc1cc(NCCSc2ccccc2)nc[nH+]1 ZINC000040727312 178160991 /nfs/dbraw/zinc/16/09/91/178160991.db2.gz ZCWHBQIOXHKOND-UHFFFAOYSA-N 1 2 245.351 2.989 20 0 BFADLO Cc1cc(NCCc2ccc(F)cc2F)nc[nH+]1 ZINC000301252673 178162791 /nfs/dbraw/zinc/16/27/91/178162791.db2.gz SGKOBLHVDSDRQX-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1cc(NCCc2c(F)cccc2F)nc[nH+]1 ZINC000301222926 178163651 /nfs/dbraw/zinc/16/36/51/178163651.db2.gz BSMZPQXXPVLFLP-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1cc(NCCn2cccc2)nc(C(C)C)[nH+]1 ZINC000301679708 178163817 /nfs/dbraw/zinc/16/38/17/178163817.db2.gz UNZMREDDZVUFHL-UHFFFAOYSA-N 1 2 244.342 2.822 20 0 BFADLO Cc1cc(NCc2ccc(F)cc2F)nc[nH+]1 ZINC000051017565 178171831 /nfs/dbraw/zinc/17/18/31/178171831.db2.gz JLXPRWMTBRIEIY-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000040727137 178189224 /nfs/dbraw/zinc/18/92/24/178189224.db2.gz JEZSRHBTOSLBJU-KOLCDFICSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(NCc2ccncc2)nc(C(C)C)[nH+]1 ZINC000035121244 178174638 /nfs/dbraw/zinc/17/46/38/178174638.db2.gz BXVQVUFLWMCRLH-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO CCC(CC)CN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276582967 168348534 /nfs/dbraw/zinc/34/85/34/168348534.db2.gz LUJQMWOXNAZXGY-BQYQJAHWSA-N 1 2 249.358 2.708 20 0 BFADLO Cc1cc(NCc2ncc(C(C)(C)C)o2)nc[nH+]1 ZINC000301487536 178176519 /nfs/dbraw/zinc/17/65/19/178176519.db2.gz YUWTWNOYACWHTC-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CC[C@@](C)(CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649422812 398222104 /nfs/dbraw/zinc/22/21/04/398222104.db2.gz QGTCPBBGJAEBDG-ZDUSSCGKSA-N 1 2 233.315 2.790 20 0 BFADLO Cc1cc(N[C@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000122382314 178188643 /nfs/dbraw/zinc/18/86/43/178188643.db2.gz NNVOALVMIFTJMY-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc([NH2+][C@@H](C)[C@H]2CCOC2)ccc1N(C)C ZINC000182850399 178178168 /nfs/dbraw/zinc/17/81/68/178178168.db2.gz FCSWBUSDORTJIL-STQMWFEESA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCOC2)ccc1[NH+](C)C ZINC000182850399 178178169 /nfs/dbraw/zinc/17/81/69/178178169.db2.gz FCSWBUSDORTJIL-STQMWFEESA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@@H]2CCOC2)c2cccc(F)c2[nH+]1 ZINC000301773920 178182557 /nfs/dbraw/zinc/18/25/57/178182557.db2.gz MQJYBECDUXMALR-SNVBAGLBSA-N 1 2 246.285 2.883 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2c2cccc(F)c2)nc[nH+]1 ZINC000302870286 178184537 /nfs/dbraw/zinc/18/45/37/178184537.db2.gz YCWMGPMTPUIILF-QWHCGFSZSA-N 1 2 243.285 2.892 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000035238233 178185312 /nfs/dbraw/zinc/18/53/12/178185312.db2.gz GASLCZJNCIQSTL-VXGBXAGGSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc(N[C@H]2CCCC[C@H]2O)nc(C(C)C)[nH+]1 ZINC000052006733 178188864 /nfs/dbraw/zinc/18/88/64/178188864.db2.gz VYWKTZAMPGOYJW-NWDGAFQWSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(N[C@H](C)CF)nc(-c2cccnc2)[nH+]1 ZINC000288307840 178186485 /nfs/dbraw/zinc/18/64/85/178186485.db2.gz SXJHCMCJKRDFEA-SNVBAGLBSA-N 1 2 246.289 2.617 20 0 BFADLO Cc1cc(N[C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000112555019 178186963 /nfs/dbraw/zinc/18/69/63/178186963.db2.gz FTKXFRJJOROZHN-SNVBAGLBSA-N 1 2 229.283 2.664 20 0 BFADLO Cc1cc(N[C@H](CCO)C2CCCCC2)nc[nH+]1 ZINC000301397166 178188004 /nfs/dbraw/zinc/18/80/04/178188004.db2.gz NLRFADIBDWQEPW-CYBMUJFWSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(Nc2ccc(O)cc2)nc(C)[nH+]1 ZINC000011731199 178191674 /nfs/dbraw/zinc/19/16/74/178191674.db2.gz RFEXZZWBHXFYPF-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc(Nc2cnn(C(C)(C)C)c2)nc(C)[nH+]1 ZINC000131980117 178193891 /nfs/dbraw/zinc/19/38/91/178193891.db2.gz OBAKBZWUEJZODQ-UHFFFAOYSA-N 1 2 245.330 2.789 20 0 BFADLO CC[C@H](C)[C@@H](CNc1ccc(OC)c[nH+]1)OC ZINC000381154345 398228170 /nfs/dbraw/zinc/22/81/70/398228170.db2.gz MFEGOOPXXRUYES-CMPLNLGQSA-N 1 2 238.331 2.563 20 0 BFADLO C[C@]1(F)CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000334184169 136224192 /nfs/dbraw/zinc/22/41/92/136224192.db2.gz FTOSPSRPVWYRNW-AAEUAGOBSA-N 1 2 236.290 2.697 20 0 BFADLO C[C@]1(F)CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000334184169 136224193 /nfs/dbraw/zinc/22/41/93/136224193.db2.gz FTOSPSRPVWYRNW-AAEUAGOBSA-N 1 2 236.290 2.697 20 0 BFADLO CCN(C(=O)CCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000276659739 538932816 /nfs/dbraw/zinc/93/28/16/538932816.db2.gz XYVVBXBXEPCDMV-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CCN(C(=O)CCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000276659739 538932818 /nfs/dbraw/zinc/93/28/18/538932818.db2.gz XYVVBXBXEPCDMV-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1nc(C)c(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000382203705 361781063 /nfs/dbraw/zinc/78/10/63/361781063.db2.gz MUUHCRJBRCHOLT-UHFFFAOYSA-N 1 2 240.690 2.828 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccon2)ccc1F ZINC000268906702 178229731 /nfs/dbraw/zinc/22/97/31/178229731.db2.gz GVJGIFJGBTTZMV-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cncs2)no1 ZINC000371396668 178241535 /nfs/dbraw/zinc/24/15/35/178241535.db2.gz SWJGMTRLBJGXKH-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cncs2)no1 ZINC000371396668 178241538 /nfs/dbraw/zinc/24/15/38/178241538.db2.gz SWJGMTRLBJGXKH-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000337403458 178253581 /nfs/dbraw/zinc/25/35/81/178253581.db2.gz QXEOXQGUBYCRLC-WCQYABFASA-N 1 2 248.370 2.784 20 0 BFADLO Cc1cc([C@H](C)N[C@@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000337403458 178253582 /nfs/dbraw/zinc/25/35/82/178253582.db2.gz QXEOXQGUBYCRLC-WCQYABFASA-N 1 2 248.370 2.784 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccco2)no1 ZINC000371395002 178266883 /nfs/dbraw/zinc/26/68/83/178266883.db2.gz BYCYSONOGATYRY-CYBMUJFWSA-N 1 2 232.283 2.913 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccco2)no1 ZINC000371395002 178266884 /nfs/dbraw/zinc/26/68/84/178266884.db2.gz BYCYSONOGATYRY-CYBMUJFWSA-N 1 2 232.283 2.913 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCc1cc[nH]n1 ZINC000063105929 178299109 /nfs/dbraw/zinc/29/91/09/178299109.db2.gz UJDCMDVGKAIAOX-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CCC(CC)C[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125541 168366583 /nfs/dbraw/zinc/36/65/83/168366583.db2.gz COGBLVTYDIRYMF-UHFFFAOYSA-N 1 2 248.326 2.866 20 0 BFADLO COc1ccc[nH+]c1NCCc1ccc(F)cc1 ZINC000169203584 538947018 /nfs/dbraw/zinc/94/70/18/538947018.db2.gz NVUBVCLSQFZEEZ-UHFFFAOYSA-N 1 2 246.285 2.884 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1=CCCCC1 ZINC000649468994 398268184 /nfs/dbraw/zinc/26/81/84/398268184.db2.gz SMLXOXQASGVODX-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1=CCCCC1 ZINC000649468994 398268185 /nfs/dbraw/zinc/26/81/85/398268185.db2.gz SMLXOXQASGVODX-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO CCC(CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000336736476 168376187 /nfs/dbraw/zinc/37/61/87/168376187.db2.gz MTUOHLNNYPBFGO-UHFFFAOYSA-N 1 2 219.332 2.685 20 0 BFADLO CCc1cc(N)nc(S[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000378862006 346848024 /nfs/dbraw/zinc/84/80/24/346848024.db2.gz SCPCUSKQNXRHSB-SCZZXKLOSA-N 1 2 237.372 2.732 20 0 BFADLO CCc1cc(N)nc(S[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000378862005 346848216 /nfs/dbraw/zinc/84/82/16/346848216.db2.gz SCPCUSKQNXRHSB-PSASIEDQSA-N 1 2 237.372 2.732 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334666482 398272592 /nfs/dbraw/zinc/27/25/92/398272592.db2.gz SJACDNLDXPGRRX-HZMBPMFUSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000602553046 349594497 /nfs/dbraw/zinc/59/44/97/349594497.db2.gz HTWLAEIZRRTPEQ-TVQRCGJNSA-N 1 2 243.310 2.716 20 0 BFADLO Cc1ccc(NC(=O)Cc2cccs2)c(C)[nH+]1 ZINC000176190439 365686641 /nfs/dbraw/zinc/68/66/41/365686641.db2.gz OLJWWVJISVRSJH-UHFFFAOYSA-N 1 2 246.335 2.941 20 0 BFADLO Cc1nnsc1C[N@H+](C)Cc1ccsc1 ZINC000649478567 398275658 /nfs/dbraw/zinc/27/56/58/398275658.db2.gz IKFFYFBOYRMUKJ-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1nnsc1C[N@@H+](C)Cc1ccsc1 ZINC000649478567 398275663 /nfs/dbraw/zinc/27/56/63/398275663.db2.gz IKFFYFBOYRMUKJ-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000047979146 342708652 /nfs/dbraw/zinc/70/86/52/342708652.db2.gz ULIGXYOCAGHTNI-WCQYABFASA-N 1 2 235.327 2.679 20 0 BFADLO CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000047979143 342708701 /nfs/dbraw/zinc/70/87/01/342708701.db2.gz ULIGXYOCAGHTNI-AAEUAGOBSA-N 1 2 235.327 2.679 20 0 BFADLO CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000047979145 342708752 /nfs/dbraw/zinc/70/87/52/342708752.db2.gz ULIGXYOCAGHTNI-DGCLKSJQSA-N 1 2 235.327 2.679 20 0 BFADLO CC[C@@H](C)CC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000394407548 342772551 /nfs/dbraw/zinc/77/25/51/342772551.db2.gz MJDHHGXVAUMIIB-TZMCWYRMSA-N 1 2 249.354 2.927 20 0 BFADLO Clc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000054763264 398283131 /nfs/dbraw/zinc/28/31/31/398283131.db2.gz KCYQPCLHAJLEHV-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO Clc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000054763264 398283134 /nfs/dbraw/zinc/28/31/34/398283134.db2.gz KCYQPCLHAJLEHV-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1cscn1 ZINC000022863736 342815642 /nfs/dbraw/zinc/81/56/42/342815642.db2.gz ZGOZTPABMMGJNU-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO CCC(CC)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301785325 168394771 /nfs/dbraw/zinc/39/47/71/168394771.db2.gz OPIBMPRULLBAKN-UHFFFAOYSA-N 1 2 230.315 2.813 20 0 BFADLO CCC(CC)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037768925 168393377 /nfs/dbraw/zinc/39/33/77/168393377.db2.gz HFLNGQYOABHZAQ-UHFFFAOYSA-N 1 2 230.315 2.868 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCCC2(CC2)CC1 ZINC000624722748 342822333 /nfs/dbraw/zinc/82/23/33/342822333.db2.gz OACJLMAOARGIEC-UHFFFAOYSA-N 1 2 247.342 2.564 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccccc2CO)n1C ZINC000630053882 361924459 /nfs/dbraw/zinc/92/44/59/361924459.db2.gz WWBFIOCNXTZOMZ-UHFFFAOYSA-N 1 2 230.311 2.703 20 0 BFADLO CCc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000188829104 538979727 /nfs/dbraw/zinc/97/97/27/538979727.db2.gz QLMIESXFPQOKFT-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000188829104 538979728 /nfs/dbraw/zinc/97/97/28/538979728.db2.gz QLMIESXFPQOKFT-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccncc1 ZINC000381485093 539002039 /nfs/dbraw/zinc/00/20/39/539002039.db2.gz UXFKGHVWJUNIQH-GXSJLCMTSA-N 1 2 226.270 2.920 20 0 BFADLO CCc1ccc(NCc2cn(C)c[nH+]2)cc1 ZINC000381641934 539005365 /nfs/dbraw/zinc/00/53/65/539005365.db2.gz PLICDBRRPCIXIB-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO COc1ccc[nH+]c1NC1CC(C(F)F)C1 ZINC000381378553 538999136 /nfs/dbraw/zinc/99/91/36/538999136.db2.gz KOCQIHFWGRKEMP-UHFFFAOYSA-N 1 2 228.242 2.546 20 0 BFADLO COc1ccc(N[C@H](C(C)C)C2CC2)[nH+]c1 ZINC000381368925 538999283 /nfs/dbraw/zinc/99/92/83/538999283.db2.gz HRUMBGKTWVMWBR-CYBMUJFWSA-N 1 2 220.316 2.937 20 0 BFADLO CC(C)=CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000390141435 539019918 /nfs/dbraw/zinc/01/99/18/539019918.db2.gz OWBFWRZDHNLWCY-UHFFFAOYSA-N 1 2 219.332 2.574 20 0 BFADLO FC1(F)COCC[N@H+](CC2CCCCCC2)C1 ZINC000583529123 398296674 /nfs/dbraw/zinc/29/66/74/398296674.db2.gz ZATAGUANGCBAPQ-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO FC1(F)COCC[N@@H+](CC2CCCCCC2)C1 ZINC000583529123 398296675 /nfs/dbraw/zinc/29/66/75/398296675.db2.gz ZATAGUANGCBAPQ-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc(Cl)o1 ZINC000382007819 398298436 /nfs/dbraw/zinc/29/84/36/398298436.db2.gz BSLHOWZKHCGFCJ-UHFFFAOYSA-N 1 2 226.663 2.519 20 0 BFADLO CC(C)c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000042243570 361975273 /nfs/dbraw/zinc/97/52/73/361975273.db2.gz LZOUNTNREICRMJ-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000042243570 361975280 /nfs/dbraw/zinc/97/52/80/361975280.db2.gz LZOUNTNREICRMJ-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@H](F)C2)[nH+]1 ZINC000631290337 342888937 /nfs/dbraw/zinc/88/89/37/342888937.db2.gz QIRDKXRWNMEVKA-VIFPVBQESA-N 1 2 248.305 2.630 20 0 BFADLO C[C@H]1CC[C@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203292 342909451 /nfs/dbraw/zinc/90/94/51/342909451.db2.gz HTRDLEBVVWQVGJ-QWRGUYRKSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203292 342909452 /nfs/dbraw/zinc/90/94/52/342909452.db2.gz HTRDLEBVVWQVGJ-QWRGUYRKSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625212374 342914832 /nfs/dbraw/zinc/91/48/32/342914832.db2.gz HXHGWRNYEZRXAI-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625212374 342914834 /nfs/dbraw/zinc/91/48/34/342914834.db2.gz HXHGWRNYEZRXAI-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO CCC[N@H+](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC000351599768 136247637 /nfs/dbraw/zinc/24/76/37/136247637.db2.gz CSWDKUVZUXYGNA-UHFFFAOYSA-N 1 2 247.317 2.961 20 0 BFADLO CCC[N@@H+](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC000351599768 136247638 /nfs/dbraw/zinc/24/76/38/136247638.db2.gz CSWDKUVZUXYGNA-UHFFFAOYSA-N 1 2 247.317 2.961 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000045751999 342916044 /nfs/dbraw/zinc/91/60/44/342916044.db2.gz AUYASUPBEYPAHA-LBPRGKRZSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000045751999 342916045 /nfs/dbraw/zinc/91/60/45/342916045.db2.gz AUYASUPBEYPAHA-LBPRGKRZSA-N 1 2 239.746 2.951 20 0 BFADLO CCC(F)(F)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000624559878 344010617 /nfs/dbraw/zinc/01/06/17/344010617.db2.gz BJYRRLCDENGERW-UHFFFAOYSA-N 1 2 241.285 2.542 20 0 BFADLO CCC1CCC([N@H+](C)Cc2noc(C)n2)CC1 ZINC000353433621 398328743 /nfs/dbraw/zinc/32/87/43/398328743.db2.gz HENWWHCIDBCDDP-UHFFFAOYSA-N 1 2 237.347 2.779 20 0 BFADLO CCC1CCC([N@@H+](C)Cc2noc(C)n2)CC1 ZINC000353433621 398328744 /nfs/dbraw/zinc/32/87/44/398328744.db2.gz HENWWHCIDBCDDP-UHFFFAOYSA-N 1 2 237.347 2.779 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)o1 ZINC000336143591 398344992 /nfs/dbraw/zinc/34/49/92/398344992.db2.gz ZBDABBGSBGSOHT-JOYOIKCWSA-N 1 2 231.299 2.580 20 0 BFADLO Cn1c[nH+]cc1CNc1ccsc1Cl ZINC000189522898 346895188 /nfs/dbraw/zinc/89/51/88/346895188.db2.gz RQITVLQPBAEYNY-UHFFFAOYSA-N 1 2 227.720 2.747 20 0 BFADLO CCc1cnc(C[N@H+](C)CCOC(C)C)s1 ZINC000175520200 346898053 /nfs/dbraw/zinc/89/80/53/346898053.db2.gz CCIZQWRSMDBKAQ-UHFFFAOYSA-N 1 2 242.388 2.562 20 0 BFADLO CCc1cnc(C[N@@H+](C)CCOC(C)C)s1 ZINC000175520200 346898056 /nfs/dbraw/zinc/89/80/56/346898056.db2.gz CCIZQWRSMDBKAQ-UHFFFAOYSA-N 1 2 242.388 2.562 20 0 BFADLO COc1ccc(CNc2cccc[nH+]2)c(OC)c1 ZINC000019777115 187205557 /nfs/dbraw/zinc/20/55/57/187205557.db2.gz BZBCWKSTQUBJEE-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353193447 187207971 /nfs/dbraw/zinc/20/79/71/187207971.db2.gz NPXSUGYWVJCHQT-GFCCVEGCSA-N 1 2 241.281 2.925 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353193447 187207973 /nfs/dbraw/zinc/20/79/73/187207973.db2.gz NPXSUGYWVJCHQT-GFCCVEGCSA-N 1 2 241.281 2.925 20 0 BFADLO CC[C@@H](NC(=O)/C=C\C(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590362 529572462 /nfs/dbraw/zinc/57/24/62/529572462.db2.gz DTPLGJNIUNVLSL-JYESYGNLSA-N 1 2 235.331 2.579 20 0 BFADLO CC[C@@H](NC(=O)C=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590362 529572463 /nfs/dbraw/zinc/57/24/63/529572463.db2.gz DTPLGJNIUNVLSL-JYESYGNLSA-N 1 2 235.331 2.579 20 0 BFADLO CC(C)(C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335901256 136259244 /nfs/dbraw/zinc/25/92/44/136259244.db2.gz KSAGAMVTNAOPMD-SNVBAGLBSA-N 1 2 235.331 2.509 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000076320618 342987829 /nfs/dbraw/zinc/98/78/29/342987829.db2.gz GNGJKDMLDUBAEG-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CSCc1cnc(C[NH+]2CC(C)(C)C2)s1 ZINC000602751358 349730440 /nfs/dbraw/zinc/73/04/40/349730440.db2.gz IIMBCJAHFOTKFU-UHFFFAOYSA-N 1 2 242.413 2.848 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC000493272520 529587687 /nfs/dbraw/zinc/58/76/87/529587687.db2.gz VHRSJALDNRMZCI-WSKFYRRCSA-N 1 2 249.358 2.683 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC000493272518 529587901 /nfs/dbraw/zinc/58/79/01/529587901.db2.gz VHRSJALDNRMZCI-SKVAFPRGSA-N 1 2 249.358 2.683 20 0 BFADLO CCc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493069824 529588188 /nfs/dbraw/zinc/58/81/88/529588188.db2.gz JHEVKKBESQLBKL-BQYQJAHWSA-N 1 2 241.294 2.624 20 0 BFADLO COC(=O)C1([NH2+]Cc2ccccc2)CCCCC1 ZINC000037952544 343015753 /nfs/dbraw/zinc/01/57/53/343015753.db2.gz HNMLWQUVOKCSOY-UHFFFAOYSA-N 1 2 247.338 2.652 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000335905689 136260561 /nfs/dbraw/zinc/26/05/61/136260561.db2.gz UCCIIDHMDDFFQW-NXEZZACHSA-N 1 2 237.347 2.719 20 0 BFADLO COCCC[C@@H](C)[NH2+]c1ccc2c(c1)CCO2 ZINC000182137313 187228639 /nfs/dbraw/zinc/22/86/39/187228639.db2.gz KHQADJZWTGQNNU-LLVKDONJSA-N 1 2 235.327 2.849 20 0 BFADLO CCc1cccc(F)c1CNc1c[nH]c[nH+]1 ZINC000309987413 343131579 /nfs/dbraw/zinc/13/15/79/343131579.db2.gz YYNMGKZHVDSHQR-UHFFFAOYSA-N 1 2 219.263 2.723 20 0 BFADLO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nnsc1Cl ZINC000124596006 343163539 /nfs/dbraw/zinc/16/35/39/343163539.db2.gz ODAJGVYBHWEIEV-YUMQZZPRSA-N 1 2 245.779 2.954 20 0 BFADLO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnsc1Cl ZINC000124596006 343163541 /nfs/dbraw/zinc/16/35/41/343163541.db2.gz ODAJGVYBHWEIEV-YUMQZZPRSA-N 1 2 245.779 2.954 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC000625281147 343219175 /nfs/dbraw/zinc/21/91/75/343219175.db2.gz SDYIBJCHGVAFRZ-GHMZBOCLSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC000625281147 343219178 /nfs/dbraw/zinc/21/91/78/343219178.db2.gz SDYIBJCHGVAFRZ-GHMZBOCLSA-N 1 2 249.358 2.815 20 0 BFADLO CC1(C)CC(C[N@@H+]2CCC(F)(F)C2)C1 ZINC000625302860 343228443 /nfs/dbraw/zinc/22/84/43/343228443.db2.gz KPMLDJVFEVLRQU-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO CC1(C)CC(C[N@H+]2CCC(F)(F)C2)C1 ZINC000625302860 343228445 /nfs/dbraw/zinc/22/84/45/343228445.db2.gz KPMLDJVFEVLRQU-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO CN(C)c1ccc(NCc2cccs2)c[nH+]1 ZINC000036988861 343329800 /nfs/dbraw/zinc/32/98/00/343329800.db2.gz MQJQZKJFFVSAGH-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO Cc1cc(N[C@@H](C)C2CCCC2)nc[nH+]1 ZINC000069805437 343292286 /nfs/dbraw/zinc/29/22/86/343292286.db2.gz ZAOQHUVQTWBBMV-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625387970 343369745 /nfs/dbraw/zinc/36/97/45/343369745.db2.gz PUAJSYLKMFGJTE-SNVBAGLBSA-N 1 2 247.342 2.735 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625387970 343369748 /nfs/dbraw/zinc/36/97/48/343369748.db2.gz PUAJSYLKMFGJTE-SNVBAGLBSA-N 1 2 247.342 2.735 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000038090761 343370150 /nfs/dbraw/zinc/37/01/50/343370150.db2.gz MJWIFHACESKORB-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2nccs2)n1 ZINC000070650048 343337973 /nfs/dbraw/zinc/33/79/73/343337973.db2.gz SQZNJBRYSINTFU-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2nccs2)n1 ZINC000070650049 343338000 /nfs/dbraw/zinc/33/80/00/343338000.db2.gz SQZNJBRYSINTFU-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO CCOc1ccc(C(C)=O)cc1Cn1cc[nH+]c1 ZINC000037395457 343344648 /nfs/dbraw/zinc/34/46/48/343344648.db2.gz OMWSNLUAPLKIAV-UHFFFAOYSA-N 1 2 244.294 2.533 20 0 BFADLO CCOc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000040505226 343405582 /nfs/dbraw/zinc/40/55/82/343405582.db2.gz MRRGGDLSKJJCEU-UHFFFAOYSA-N 1 2 248.351 2.832 20 0 BFADLO Cc1cc(OC[C@@H]2CCOC2)c2ccccc2[nH+]1 ZINC000335694813 136326793 /nfs/dbraw/zinc/32/67/93/136326793.db2.gz VGGFEULXBFDTFJ-GFCCVEGCSA-N 1 2 243.306 2.959 20 0 BFADLO CC(C)[C@H](NC(=O)CC1CCCC1)c1[nH]cc[nH+]1 ZINC000276657541 187339322 /nfs/dbraw/zinc/33/93/22/187339322.db2.gz SRTPXFQKGKJVGF-ZDUSSCGKSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1cc(N2CC3(CCC3)[C@@H]2C(C)C)nc[nH+]1 ZINC000335733754 136349636 /nfs/dbraw/zinc/34/96/36/136349636.db2.gz DGOBWRFZINIOFW-ZDUSSCGKSA-N 1 2 231.343 2.800 20 0 BFADLO Fc1ccc(CNc2cccc[nH+]2)cc1F ZINC000042337698 343434919 /nfs/dbraw/zinc/43/49/19/343434919.db2.gz SJQZKJXZLATSBM-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO C[C@H](Cc1cnn(C)c1)[NH2+]CCC1CCCCC1 ZINC000350519658 136361670 /nfs/dbraw/zinc/36/16/70/136361670.db2.gz ZYQUWGYNAKRYEX-CYBMUJFWSA-N 1 2 249.402 2.911 20 0 BFADLO C[C@@H](Cc1cnn(C)c1)[NH2+]CCC1CCCCC1 ZINC000350519659 136361939 /nfs/dbraw/zinc/36/19/39/136361939.db2.gz ZYQUWGYNAKRYEX-ZDUSSCGKSA-N 1 2 249.402 2.911 20 0 BFADLO CCOC(C)(C)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000166939300 136367836 /nfs/dbraw/zinc/36/78/36/136367836.db2.gz BXPSSVRHDJJGBJ-NEPJUHHUSA-N 1 2 213.365 2.970 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1CC1)c1cc(C)cc(C)c1 ZINC000043394950 343469578 /nfs/dbraw/zinc/46/95/78/343469578.db2.gz LAQNXVVLQSYNSN-AWEZNQCLSA-N 1 2 247.338 2.517 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000397971666 262941051 /nfs/dbraw/zinc/94/10/51/262941051.db2.gz CRGPHQQRJXYFMF-UHFFFAOYSA-N 1 2 226.663 2.519 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cnn(C)c1 ZINC000044496056 343503791 /nfs/dbraw/zinc/50/37/91/343503791.db2.gz SIUHONQAYLXGKE-NSHDSACASA-N 1 2 244.342 2.659 20 0 BFADLO Cc1ccc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140808582 343563010 /nfs/dbraw/zinc/56/30/10/343563010.db2.gz ZFIFCUMXVJYTCY-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO CC[C@](C)([NH2+]CCCCOC)C(F)(F)F ZINC000379976510 365772590 /nfs/dbraw/zinc/77/25/90/365772590.db2.gz DSMAFZWNEIHFIA-VIFPVBQESA-N 1 2 227.270 2.734 20 0 BFADLO Cc1ccoc1CN(C)c1nc(C)[nH+]cc1C ZINC000580570637 365776619 /nfs/dbraw/zinc/77/66/19/365776619.db2.gz GEWVJQBZIIJFNO-UHFFFAOYSA-N 1 2 231.299 2.631 20 0 BFADLO CCCCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000049316046 343595642 /nfs/dbraw/zinc/59/56/42/343595642.db2.gz RKTPXZMSWDWHLU-UHFFFAOYSA-N 1 2 235.331 2.666 20 0 BFADLO CC[C@@](C)([NH2+]CCCCOC)C(F)(F)F ZINC000379976508 365771845 /nfs/dbraw/zinc/77/18/45/365771845.db2.gz DSMAFZWNEIHFIA-SECBINFHSA-N 1 2 227.270 2.734 20 0 BFADLO CCCc1ccccc1NCc1[nH+]ccn1C ZINC000049556435 343602399 /nfs/dbraw/zinc/60/23/99/343602399.db2.gz NFFUAPNSPRBOME-UHFFFAOYSA-N 1 2 229.327 2.985 20 0 BFADLO CC(C)(C)c1ncc(CNc2cccc[nH+]2)cn1 ZINC000283775246 187344449 /nfs/dbraw/zinc/34/44/49/187344449.db2.gz DNPHBZMTUJTXGJ-UHFFFAOYSA-N 1 2 242.326 2.781 20 0 BFADLO COc1ccsc1[C@H](C)[NH2+]Cc1cocn1 ZINC000390475217 537795492 /nfs/dbraw/zinc/79/54/92/537795492.db2.gz KLINZNGZELDFHQ-QMMMGPOBSA-N 1 2 238.312 2.596 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000622776883 343669036 /nfs/dbraw/zinc/66/90/36/343669036.db2.gz UJWXUUQYYJDSAU-ITGUQSILSA-N 1 2 244.338 2.991 20 0 BFADLO CC[C@@H](SC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000178567516 346958164 /nfs/dbraw/zinc/95/81/64/346958164.db2.gz HRLFBTZCDLENST-LLVKDONJSA-N 1 2 238.356 2.779 20 0 BFADLO C[C@H]([NH2+]CC(C)(F)F)c1cncc(F)c1 ZINC000382293720 349838146 /nfs/dbraw/zinc/83/81/46/349838146.db2.gz LOZCZYMLMJPUJC-ZETCQYMHSA-N 1 2 218.222 2.527 20 0 BFADLO CC1=CCC[C@@H](C)[C@@H]1CNc1c[nH]c[nH+]1 ZINC000380131344 343681898 /nfs/dbraw/zinc/68/18/98/343681898.db2.gz SWTWFYORQMBNSU-GHMZBOCLSA-N 1 2 205.305 2.814 20 0 BFADLO CC1=CCC[C@H](C)[C@H]1CNc1c[nH]c[nH+]1 ZINC000380131349 343681911 /nfs/dbraw/zinc/68/19/11/343681911.db2.gz SWTWFYORQMBNSU-QWRGUYRKSA-N 1 2 205.305 2.814 20 0 BFADLO C/C=C/CSCc1c[nH+]ccc1OC ZINC000289344000 187347215 /nfs/dbraw/zinc/34/72/15/187347215.db2.gz FRVQNVQWNMANMS-ONEGZZNKSA-N 1 2 209.314 2.900 20 0 BFADLO CCCC[C@H](CC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000061680379 343727854 /nfs/dbraw/zinc/72/78/54/343727854.db2.gz RDQIEJSIMVRIAD-JTQLQIEISA-N 1 2 235.331 2.819 20 0 BFADLO CC(C)([NH2+]Cc1ccon1)c1ccccc1F ZINC000292069483 187349083 /nfs/dbraw/zinc/34/90/83/187349083.db2.gz DLHZPTVGATWOQP-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO Cc1cc(CNc2c[nH+]c3c(c2)CCCC3)on1 ZINC000631111998 343751036 /nfs/dbraw/zinc/75/10/36/343751036.db2.gz WRZHYZCAMQKFNB-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)c(C)s1 ZINC000683895622 488238308 /nfs/dbraw/zinc/23/83/08/488238308.db2.gz HRXYVOCGIHNCAZ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)c(C)s1 ZINC000683895622 488238309 /nfs/dbraw/zinc/23/83/09/488238309.db2.gz HRXYVOCGIHNCAZ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)c(C)s1 ZINC000683895622 488238311 /nfs/dbraw/zinc/23/83/11/488238311.db2.gz HRXYVOCGIHNCAZ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1noc(C)c1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000078259881 343935152 /nfs/dbraw/zinc/93/51/52/343935152.db2.gz MWZIVURKFCXEAI-SSDOTTSWSA-N 1 2 232.287 2.563 20 0 BFADLO Cc1ccc(NC(=O)N2CC(C)(C)C2)c(C)[nH+]1 ZINC000683945758 488249119 /nfs/dbraw/zinc/24/91/19/488249119.db2.gz BVGQURWDISFEIB-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO Cc1[nH]c(CN2CC[C@H]2c2ccccc2)[nH+]c1C ZINC000628117501 343966478 /nfs/dbraw/zinc/96/64/78/343966478.db2.gz LKVKVPLPVNVBTM-AWEZNQCLSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)[nH]c1C ZINC000628117501 343966480 /nfs/dbraw/zinc/96/64/80/343966480.db2.gz LKVKVPLPVNVBTM-AWEZNQCLSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H]2c2ccccc2)[nH]c1C ZINC000628117501 343966483 /nfs/dbraw/zinc/96/64/83/343966483.db2.gz LKVKVPLPVNVBTM-AWEZNQCLSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CCCC(F)(F)CC2)no1 ZINC000625770908 344066045 /nfs/dbraw/zinc/06/60/45/344066045.db2.gz XPSMEMZKFYIYMA-MRVPVSSYSA-N 1 2 245.273 2.560 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CCCC(F)(F)CC2)no1 ZINC000625770908 344066048 /nfs/dbraw/zinc/06/60/48/344066048.db2.gz XPSMEMZKFYIYMA-MRVPVSSYSA-N 1 2 245.273 2.560 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CCCC(F)(F)CC2)no1 ZINC000625770909 344066599 /nfs/dbraw/zinc/06/65/99/344066599.db2.gz XPSMEMZKFYIYMA-QMMMGPOBSA-N 1 2 245.273 2.560 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CCCC(F)(F)CC2)no1 ZINC000625770909 344066601 /nfs/dbraw/zinc/06/66/01/344066601.db2.gz XPSMEMZKFYIYMA-QMMMGPOBSA-N 1 2 245.273 2.560 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCCC(F)(F)CC1 ZINC000625771731 344067007 /nfs/dbraw/zinc/06/70/07/344067007.db2.gz JIRQYGYPOFOBKK-MRVPVSSYSA-N 1 2 247.314 2.720 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCCC(F)(F)CC1 ZINC000625771731 344067008 /nfs/dbraw/zinc/06/70/08/344067008.db2.gz JIRQYGYPOFOBKK-MRVPVSSYSA-N 1 2 247.314 2.720 20 0 BFADLO FC1(F)CCC[N@H+](Cc2cscn2)CC1 ZINC000625767212 344068299 /nfs/dbraw/zinc/06/82/99/344068299.db2.gz OHKTYDJJQFLSEN-UHFFFAOYSA-N 1 2 232.299 2.764 20 0 BFADLO FC1(F)CCC[N@@H+](Cc2cscn2)CC1 ZINC000625767212 344068301 /nfs/dbraw/zinc/06/83/01/344068301.db2.gz OHKTYDJJQFLSEN-UHFFFAOYSA-N 1 2 232.299 2.764 20 0 BFADLO CC[C@H](C)Cc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000632246107 344082243 /nfs/dbraw/zinc/08/22/43/344082243.db2.gz MJFJSSJIQJBWLN-JTQLQIEISA-N 1 2 245.326 2.952 20 0 BFADLO Cc1csc([C@@H](C)Nc2cc(CO)cc[nH+]2)n1 ZINC000641337307 362368025 /nfs/dbraw/zinc/36/80/25/362368025.db2.gz LASYMYJEXFKDDT-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO CC1(C)C[C@@H](SCCCn2cc[nH+]c2)CO1 ZINC000600570546 344285201 /nfs/dbraw/zinc/28/52/01/344285201.db2.gz PMCPZVDBBFYYSA-LLVKDONJSA-N 1 2 240.372 2.574 20 0 BFADLO Cc1ncsc1CN(C)c1cc[nH+]cc1F ZINC000641365792 362379242 /nfs/dbraw/zinc/37/92/42/362379242.db2.gz RZZAGRORNZYDBA-UHFFFAOYSA-N 1 2 237.303 2.622 20 0 BFADLO c1cn(CCCSCc2ccccn2)c[nH+]1 ZINC000600575641 344290830 /nfs/dbraw/zinc/29/08/30/344290830.db2.gz WQUUSPHLCCKHHI-UHFFFAOYSA-N 1 2 233.340 2.602 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2cccn2C)s1 ZINC000093807735 344322449 /nfs/dbraw/zinc/32/24/49/344322449.db2.gz KBJVRBMJMDOYDP-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2cccn2C)s1 ZINC000093807735 344322452 /nfs/dbraw/zinc/32/24/52/344322452.db2.gz KBJVRBMJMDOYDP-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccn(C)c2)s1 ZINC000093807564 344322880 /nfs/dbraw/zinc/32/28/80/344322880.db2.gz GNNYMRNRLGBTSD-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccn(C)c2)s1 ZINC000093807564 344322881 /nfs/dbraw/zinc/32/28/81/344322881.db2.gz GNNYMRNRLGBTSD-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2cncs2)on1 ZINC000168170041 344326421 /nfs/dbraw/zinc/32/64/21/344326421.db2.gz YOIAFQSJFGQYPM-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO COc1cc[nH+]cc1CSC[C@H]1C[C@H]1C ZINC000600631049 344345959 /nfs/dbraw/zinc/34/59/59/344345959.db2.gz BDDUPQREDJCWQQ-NXEZZACHSA-N 1 2 223.341 2.979 20 0 BFADLO CCOCCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000092963001 344307245 /nfs/dbraw/zinc/30/72/45/344307245.db2.gz SFPNSYLFDMZUOV-UHFFFAOYSA-N 1 2 248.248 2.573 20 0 BFADLO C[C@H](Nc1cc(CO)cc[nH+]1)C1CCCCC1 ZINC000641391598 362389632 /nfs/dbraw/zinc/38/96/32/362389632.db2.gz APOAQHSRUVYAFN-NSHDSACASA-N 1 2 234.343 2.955 20 0 BFADLO Cc1cn2ccc(NC(=O)CC3CCC3)cc2[nH+]1 ZINC000620649899 344435950 /nfs/dbraw/zinc/43/59/50/344435950.db2.gz GULPIZDINOAJQH-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CCc1ccc(NCc2c[nH+]cn2C)cc1F ZINC000152420698 344556500 /nfs/dbraw/zinc/55/65/00/344556500.db2.gz XFRLIXPWVONUNE-UHFFFAOYSA-N 1 2 233.290 2.734 20 0 BFADLO CC(C)CC[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641446454 362423770 /nfs/dbraw/zinc/42/37/70/362423770.db2.gz IXYOUAUKFPZQKM-AWEZNQCLSA-N 1 2 248.370 2.979 20 0 BFADLO Fc1c[nH+]ccc1N[C@H]1CCCC(F)(F)C1 ZINC000641447623 362424692 /nfs/dbraw/zinc/42/46/92/362424692.db2.gz PCQAPIVLTRPTLH-QMMMGPOBSA-N 1 2 230.233 2.632 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]cc2F)C[C@@H]1C ZINC000641470086 362438101 /nfs/dbraw/zinc/43/81/01/362438101.db2.gz AAYYRLQYLAZVIW-ZJUUUORDSA-N 1 2 208.280 2.703 20 0 BFADLO CC[C@@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641434081 362415422 /nfs/dbraw/zinc/41/54/22/362415422.db2.gz YORMXQORLHMPLI-VXGBXAGGSA-N 1 2 220.316 2.565 20 0 BFADLO Cc1cc(C)nc(SCc2cn(C)c[nH+]2)c1 ZINC000641476668 362448382 /nfs/dbraw/zinc/44/83/82/362448382.db2.gz NQRDMOPKKSTJGU-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO CO[C@]1(C)CCCN(c2cc[nH+]cc2F)CC1 ZINC000641545582 362492157 /nfs/dbraw/zinc/49/21/57/362492157.db2.gz FLFOCSKOVDNKPM-CYBMUJFWSA-N 1 2 238.306 2.616 20 0 BFADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@@H]2CCCC[C@H]21 ZINC000641485647 362456048 /nfs/dbraw/zinc/45/60/48/362456048.db2.gz JIZTWTRTFJCFJL-KWCYVHTRSA-N 1 2 246.354 2.589 20 0 BFADLO Cc1nc(C[NH+]2CCC3(CCCC3)CC2)no1 ZINC000158360514 344614493 /nfs/dbraw/zinc/61/44/93/344614493.db2.gz BJGCSMONEUBJBH-UHFFFAOYSA-N 1 2 235.331 2.534 20 0 BFADLO CS[C@H]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000603295952 349915183 /nfs/dbraw/zinc/91/51/83/349915183.db2.gz XJBKFVJLACVAHO-ZJUUUORDSA-N 1 2 240.347 2.729 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1Cc2ccccc21 ZINC000127792391 344652784 /nfs/dbraw/zinc/65/27/84/344652784.db2.gz VQADRPLFPQLINN-LBPRGKRZSA-N 1 2 240.306 2.842 20 0 BFADLO Cn1c[nH+]cc1CN1c2ccccc2CC1(C)C ZINC000626064543 344710271 /nfs/dbraw/zinc/71/02/71/344710271.db2.gz UXGMLZLGWRAPQX-UHFFFAOYSA-N 1 2 241.338 2.761 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2ncc(C)o2)c1 ZINC000075615271 344780471 /nfs/dbraw/zinc/78/04/71/344780471.db2.gz UMCCRQRHUVQYNE-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2ncc(C)o2)c1 ZINC000075615271 344780474 /nfs/dbraw/zinc/78/04/74/344780474.db2.gz UMCCRQRHUVQYNE-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2cccs2)o1 ZINC000075615878 344780614 /nfs/dbraw/zinc/78/06/14/344780614.db2.gz HJRDAVVEQGHVGY-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2cccs2)o1 ZINC000075615878 344780615 /nfs/dbraw/zinc/78/06/15/344780615.db2.gz HJRDAVVEQGHVGY-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO C[C@@H](c1noc(C[C@H](C)n2cc[nH+]c2)n1)C1CC1 ZINC000351419624 344752876 /nfs/dbraw/zinc/75/28/76/344752876.db2.gz DMGKKFKNXPBBQB-VHSXEESVSA-N 1 2 246.314 2.583 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000153183847 344813953 /nfs/dbraw/zinc/81/39/53/344813953.db2.gz ACTFTHAMOCMEHV-NEPJUHHUSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1c[nH]c(CN(CC(C)C)CC(F)(F)F)[nH+]1 ZINC000628146775 344826014 /nfs/dbraw/zinc/82/60/14/344826014.db2.gz ZTJCTOSMRPRNHY-UHFFFAOYSA-N 1 2 249.280 2.738 20 0 BFADLO CCN(Cc1ccoc1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628161563 344859779 /nfs/dbraw/zinc/85/97/79/344859779.db2.gz IHGVGJLFVZOAIZ-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[C@@H](c1ccncc1)N(C)c1cc[nH+]c(C)n1 ZINC000078294894 344843721 /nfs/dbraw/zinc/84/37/21/344843721.db2.gz YJZOSNKOUCMQRB-ZDUSSCGKSA-N 1 2 242.326 2.768 20 0 BFADLO CC[N@H+](Cc1noc(-c2ccsc2)n1)C1CC1 ZINC000120073256 344875625 /nfs/dbraw/zinc/87/56/25/344875625.db2.gz IAXBVFXLODSESJ-UHFFFAOYSA-N 1 2 249.339 2.782 20 0 BFADLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)C1CC1 ZINC000120073256 344875626 /nfs/dbraw/zinc/87/56/26/344875626.db2.gz IAXBVFXLODSESJ-UHFFFAOYSA-N 1 2 249.339 2.782 20 0 BFADLO FC(F)(F)C1CCN(c2cccc[nH+]2)CC1 ZINC000078558700 344882374 /nfs/dbraw/zinc/88/23/74/344882374.db2.gz KOYULLUYSHDLTL-UHFFFAOYSA-N 1 2 230.233 2.860 20 0 BFADLO Cc1ccc(N[C@@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC000087151812 178773815 /nfs/dbraw/zinc/77/38/15/178773815.db2.gz MWTVDXFIQCGUHM-CMPLNLGQSA-N 1 2 220.316 2.678 20 0 BFADLO CO[C@@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2)C1 ZINC000234776577 537871325 /nfs/dbraw/zinc/87/13/25/537871325.db2.gz NYVBABOWBKFWQR-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccn1 ZINC000628199270 344969257 /nfs/dbraw/zinc/96/92/57/344969257.db2.gz KZYDGYZBEOTAOL-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO CC(C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000128600882 187297850 /nfs/dbraw/zinc/29/78/50/187297850.db2.gz SZAFFOHFSKXZCO-UHFFFAOYSA-N 1 2 219.263 2.832 20 0 BFADLO Cc1cc(C)c(CNc2c[nH]c[nH+]2)c(C)c1 ZINC000309897273 323082773 /nfs/dbraw/zinc/08/27/73/323082773.db2.gz GINDPFBOLWQIPJ-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO Fc1c[nH+]ccc1NC[C@@H]1CCCCC1(F)F ZINC000641614704 362550984 /nfs/dbraw/zinc/55/09/84/362550984.db2.gz URTXWVWSLGSRLL-VIFPVBQESA-N 1 2 244.260 2.880 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](CC)O1 ZINC000641641537 362571542 /nfs/dbraw/zinc/57/15/42/362571542.db2.gz ZTODKPGGOKQVIK-GHMZBOCLSA-N 1 2 238.306 2.615 20 0 BFADLO CC(C)=CCSCc1ccc[nH+]c1N ZINC000603331106 349924852 /nfs/dbraw/zinc/92/48/52/349924852.db2.gz ROLUBRAGYFQTDL-UHFFFAOYSA-N 1 2 208.330 2.863 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000235322754 537889253 /nfs/dbraw/zinc/88/92/53/537889253.db2.gz KRKLJKRLKAGYOG-HTQZYQBOSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2[nH+]cnc(N)c2Cl)C1 ZINC000235322754 537889260 /nfs/dbraw/zinc/88/92/60/537889260.db2.gz KRKLJKRLKAGYOG-HTQZYQBOSA-N 1 2 240.738 2.560 20 0 BFADLO COc1cncc(CNc2ccc(C)[nH+]c2)c1C ZINC000631094097 345379744 /nfs/dbraw/zinc/37/97/44/345379744.db2.gz SGRCXWPODKXPAZ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCSCC(C)C ZINC000134596889 345416703 /nfs/dbraw/zinc/41/67/03/345416703.db2.gz BNUODLALNHODGY-SNVBAGLBSA-N 1 2 241.404 2.758 20 0 BFADLO CC[N@H+](Cc1nccs1)Cc1ccccn1 ZINC000135145304 345433750 /nfs/dbraw/zinc/43/37/50/345433750.db2.gz BKGSXWKUVYVRII-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1nccs1)Cc1ccccn1 ZINC000135145304 345433752 /nfs/dbraw/zinc/43/37/52/345433752.db2.gz BKGSXWKUVYVRII-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000070190640 345473688 /nfs/dbraw/zinc/47/36/88/345473688.db2.gz HBMAEFLMUKBDQU-UHFFFAOYSA-N 1 2 202.257 2.675 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000093323516 345651822 /nfs/dbraw/zinc/65/18/22/345651822.db2.gz CWAQBHDIGYTFRS-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000093323516 345651824 /nfs/dbraw/zinc/65/18/24/345651824.db2.gz CWAQBHDIGYTFRS-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1cc(N(C)[C@H](C)C(C)(C)C)nc[nH+]1 ZINC000603375123 349935951 /nfs/dbraw/zinc/93/59/51/349935951.db2.gz LBPRMZLSHOJTHM-SNVBAGLBSA-N 1 2 207.321 2.656 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000378859352 345690983 /nfs/dbraw/zinc/69/09/83/345690983.db2.gz NMIPTDUMUAPIPE-SECBINFHSA-N 1 2 214.259 2.696 20 0 BFADLO c1cc(C[N@@H+]2CCc3ncsc3C2)cs1 ZINC000226202544 345750947 /nfs/dbraw/zinc/75/09/47/345750947.db2.gz BXZDYROJGNNZRB-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc(C[N@H+]2CCc3ncsc3C2)cs1 ZINC000226202544 345750948 /nfs/dbraw/zinc/75/09/48/345750948.db2.gz BXZDYROJGNNZRB-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H]1C(C)C ZINC000381412005 345813288 /nfs/dbraw/zinc/81/32/88/345813288.db2.gz UWRHNQGEQOBDQZ-MNOVXSKESA-N 1 2 220.316 2.937 20 0 BFADLO Cc1cc(C)cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140838970 345823851 /nfs/dbraw/zinc/82/38/51/345823851.db2.gz PILZIRUAXVPMPJ-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO CO[C@@H](COc1cc[nH+]cc1)CC(C)C ZINC000418947216 192092152 /nfs/dbraw/zinc/09/21/52/192092152.db2.gz AVBFMDZBYCIJQQ-GFCCVEGCSA-N 1 2 209.289 2.522 20 0 BFADLO CC(C)c1ccccc1NC(=O)Cn1cc[nH+]c1 ZINC000010809317 187310716 /nfs/dbraw/zinc/31/07/16/187310716.db2.gz VTOOGBSUTQPZGK-UHFFFAOYSA-N 1 2 243.310 2.645 20 0 BFADLO Cc1cc(OCC[C@@H](C)O)c2ccccc2[nH+]1 ZINC000418964281 192092951 /nfs/dbraw/zinc/09/29/51/192092951.db2.gz PMBLVMBZRMGIBH-LLVKDONJSA-N 1 2 231.295 2.693 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000419017836 192094097 /nfs/dbraw/zinc/09/40/97/192094097.db2.gz OOBYCPLSHWQBSR-HOTUBEGUSA-N 1 2 233.359 2.883 20 0 BFADLO CC(C)C[C@H](C(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC000635732663 346042735 /nfs/dbraw/zinc/04/27/35/346042735.db2.gz FPYBFPABARIYDD-GFCCVEGCSA-N 1 2 249.358 2.529 20 0 BFADLO c1ccc2[nH+]c(NC[C@@H]3CC34CC4)ccc2c1 ZINC000418993787 192096365 /nfs/dbraw/zinc/09/63/65/192096365.db2.gz PRZDEHRONLWKER-LBPRGKRZSA-N 1 2 224.307 2.869 20 0 BFADLO CC(C)=C(C)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000635994680 346144224 /nfs/dbraw/zinc/14/42/24/346144224.db2.gz IDIHCSQZTUUGAJ-RYUDHWBXSA-N 1 2 247.342 2.752 20 0 BFADLO CCC1(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635978348 346131073 /nfs/dbraw/zinc/13/10/73/346131073.db2.gz NILZYOBAXPATFN-LBPRGKRZSA-N 1 2 249.358 2.529 20 0 BFADLO COc1cc[nH+]cc1NCc1cnc(C2CC2)o1 ZINC000628230104 346179405 /nfs/dbraw/zinc/17/94/05/346179405.db2.gz SYFHXXDAJSTFNU-UHFFFAOYSA-N 1 2 245.282 2.568 20 0 BFADLO Cc1[nH]c(CN(C)[C@@H](C)c2ccccn2)[nH+]c1C ZINC000628234721 346187875 /nfs/dbraw/zinc/18/78/75/346187875.db2.gz LBPUBCHHROZTHD-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1c[nH]c(CN2CCc3ccc(Cl)cc32)[nH+]1 ZINC000628235844 346189714 /nfs/dbraw/zinc/18/97/14/346189714.db2.gz DRAHEGZVRFUBEC-UHFFFAOYSA-N 1 2 247.729 2.934 20 0 BFADLO Cc1[nH]c(CN2CCc3cccc(C)c32)[nH+]c1C ZINC000628235740 346189783 /nfs/dbraw/zinc/18/97/83/346189783.db2.gz AMYIZVHMPXAGKZ-UHFFFAOYSA-N 1 2 241.338 2.898 20 0 BFADLO CC[N@H+](CC(F)F)C[C@]1(C)CCCS1 ZINC000628238449 346195058 /nfs/dbraw/zinc/19/50/58/346195058.db2.gz ZEWNBIQRBDHAIF-JTQLQIEISA-N 1 2 223.332 2.859 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@]1(C)CCCS1 ZINC000628238449 346195060 /nfs/dbraw/zinc/19/50/60/346195060.db2.gz ZEWNBIQRBDHAIF-JTQLQIEISA-N 1 2 223.332 2.859 20 0 BFADLO Cc1c[nH]c(CN(C)c2cc(C)ccc2C)[nH+]1 ZINC000628238583 346197264 /nfs/dbraw/zinc/19/72/64/346197264.db2.gz FVPSNGGLAPPPPD-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO c1[nH]cc(NCc2cc3ccccc3o2)[nH+]1 ZINC000381527970 346255678 /nfs/dbraw/zinc/25/56/78/346255678.db2.gz XQHINVBLTZIHGT-UHFFFAOYSA-N 1 2 213.240 2.768 20 0 BFADLO CSc1ccccc1OCc1c[nH+]cn1C ZINC000419071438 192099272 /nfs/dbraw/zinc/09/92/72/192099272.db2.gz ADPGFXDXDOXTJP-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000626162345 346272968 /nfs/dbraw/zinc/27/29/68/346272968.db2.gz SNDCZCUHQVUFHY-KTLBGCOUSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000626162345 346272971 /nfs/dbraw/zinc/27/29/71/346272971.db2.gz SNDCZCUHQVUFHY-KTLBGCOUSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000626162351 346273299 /nfs/dbraw/zinc/27/32/99/346273299.db2.gz SOQLZGQSFQKIIB-VSQXVHSFSA-N 1 2 235.331 2.556 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000626162351 346273301 /nfs/dbraw/zinc/27/33/01/346273301.db2.gz SOQLZGQSFQKIIB-VSQXVHSFSA-N 1 2 235.331 2.556 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000626163832 346276138 /nfs/dbraw/zinc/27/61/38/346276138.db2.gz RGFVBPTXYMLEGJ-KXMPLOMGSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000626163832 346276141 /nfs/dbraw/zinc/27/61/41/346276141.db2.gz RGFVBPTXYMLEGJ-KXMPLOMGSA-N 1 2 237.372 2.716 20 0 BFADLO CC[N@H+](Cc1csnn1)Cc1ccccc1C ZINC000153742732 346306074 /nfs/dbraw/zinc/30/60/74/346306074.db2.gz JKGKQWPGEMEOPI-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1csnn1)Cc1ccccc1C ZINC000153742732 346306077 /nfs/dbraw/zinc/30/60/77/346306077.db2.gz JKGKQWPGEMEOPI-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC(C)c1nc(N2CCC[C@H]2C2CC2)cc[nH+]1 ZINC000365220649 187319725 /nfs/dbraw/zinc/31/97/25/187319725.db2.gz FBJZUUDFGFIGGI-LBPRGKRZSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@@H](F)C2)c(C)c(C)[nH+]1 ZINC000679191381 488315514 /nfs/dbraw/zinc/31/55/14/488315514.db2.gz UFHWWBBRIMUIGH-UFBFGSQYSA-N 1 2 237.322 2.586 20 0 BFADLO C=Cn1cc(C[N@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000336227117 187366699 /nfs/dbraw/zinc/36/66/99/187366699.db2.gz OMQRCNBQBMKRLB-UHFFFAOYSA-N 1 2 239.322 2.808 20 0 BFADLO C=Cn1cc(C[N@@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000336227117 187366701 /nfs/dbraw/zinc/36/67/01/187366701.db2.gz OMQRCNBQBMKRLB-UHFFFAOYSA-N 1 2 239.322 2.808 20 0 BFADLO Cc1ccc(NC(=O)NCC2(C)CC2)c(C)[nH+]1 ZINC000336312794 187367766 /nfs/dbraw/zinc/36/77/66/187367766.db2.gz KQQXWGBXFFEHAD-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2cccc(C)n2)s1 ZINC000336721509 179069122 /nfs/dbraw/zinc/06/91/22/179069122.db2.gz ZGFNJQUKSWKXQV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2cccc(C)n2)s1 ZINC000336721509 179069128 /nfs/dbraw/zinc/06/91/28/179069128.db2.gz ZGFNJQUKSWKXQV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cccc(CN(C)c2cc[nH+]c(C)n2)c1 ZINC000266417082 179072177 /nfs/dbraw/zinc/07/21/77/179072177.db2.gz RLWKELBWPYTNMW-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000292791405 179066594 /nfs/dbraw/zinc/06/65/94/179066594.db2.gz MKXCVHVNBDJKQM-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1cccc(C)c1C ZINC000292791405 179066596 /nfs/dbraw/zinc/06/65/96/179066596.db2.gz MKXCVHVNBDJKQM-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCC(C)=C(C)C2)cc[nH+]1 ZINC000574917711 346410955 /nfs/dbraw/zinc/41/09/55/346410955.db2.gz OEVOWVWGDKFSET-ZDUSSCGKSA-N 1 2 244.338 2.887 20 0 BFADLO C[C@@H](N[C@@H](C)c1cn2ccccc2[nH+]1)C(F)F ZINC000641792246 362725756 /nfs/dbraw/zinc/72/57/56/362725756.db2.gz STCDALMIVUTTPL-DTWKUNHWSA-N 1 2 239.269 2.639 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000641791322 362730335 /nfs/dbraw/zinc/73/03/35/362730335.db2.gz GVHGQAHRTWHNLT-PHDIDXHHSA-N 1 2 220.288 2.756 20 0 BFADLO COc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1O ZINC000641791492 362731307 /nfs/dbraw/zinc/73/13/07/362731307.db2.gz JIRDMOUWGPTRLT-HTQZYQBOSA-N 1 2 245.269 2.705 20 0 BFADLO COc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1O ZINC000641791493 362731546 /nfs/dbraw/zinc/73/15/46/362731546.db2.gz JIRDMOUWGPTRLT-JGVFFNPUSA-N 1 2 245.269 2.705 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(F)F)cn1 ZINC000641791335 362731682 /nfs/dbraw/zinc/73/16/82/362731682.db2.gz HHIDDZFNIBLTTQ-RKDXNWHRSA-N 1 2 231.290 2.768 20 0 BFADLO COc1ccccc1/C=C/C[NH2+][C@@H](C)C(F)F ZINC000641793959 362733146 /nfs/dbraw/zinc/73/31/46/362733146.db2.gz QDTITNHYPGKHJQ-STUBTGCMSA-N 1 2 241.281 2.952 20 0 BFADLO Cc1cccc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000110247384 179102738 /nfs/dbraw/zinc/10/27/38/179102738.db2.gz DMYUXKZUCMUFTC-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO Cc1cccc([N@H+](C)CCCCCO)c1C ZINC000171145350 179115880 /nfs/dbraw/zinc/11/58/80/179115880.db2.gz UUPUMNYPKVRLTQ-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1cccc([N@@H+](C)CCCCCO)c1C ZINC000171145350 179115882 /nfs/dbraw/zinc/11/58/82/179115882.db2.gz UUPUMNYPKVRLTQ-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1cccc([N@H+](C)CC[C@@H]2CCOC2=O)c1C ZINC000177657388 179116100 /nfs/dbraw/zinc/11/61/00/179116100.db2.gz MBGLIZYSESBKNI-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1cccc([N@@H+](C)CC[C@@H]2CCOC2=O)c1C ZINC000177657388 179116103 /nfs/dbraw/zinc/11/61/03/179116103.db2.gz MBGLIZYSESBKNI-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO CSC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000601207578 346671816 /nfs/dbraw/zinc/67/18/16/346671816.db2.gz NHXUYVNPTRFMBE-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000176622567 365847900 /nfs/dbraw/zinc/84/79/00/365847900.db2.gz POSKPBWMRRZYHU-STQMWFEESA-N 1 2 244.338 2.991 20 0 BFADLO COc1ncccc1C[NH+]1Cc2ccccc2C1 ZINC000193339527 259394065 /nfs/dbraw/zinc/39/40/65/259394065.db2.gz FFVHYXASABYLKP-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO CCc1nc(N2CCCC23CCC3)cc(C)[nH+]1 ZINC000367436307 347154687 /nfs/dbraw/zinc/15/46/87/347154687.db2.gz QNTFBXFASUGPDQ-UHFFFAOYSA-N 1 2 231.343 2.870 20 0 BFADLO COC(=O)Cc1cccc(Nc2cccc[nH+]2)c1 ZINC000039382795 347189968 /nfs/dbraw/zinc/18/99/68/347189968.db2.gz GFZFXOQENIXLLC-UHFFFAOYSA-N 1 2 242.278 2.541 20 0 BFADLO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275601189 179197449 /nfs/dbraw/zinc/19/74/49/179197449.db2.gz JDZHYAXAQUOZKZ-NWDGAFQWSA-N 1 2 244.342 2.535 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1ccc(OC)cc1 ZINC000191927759 347363307 /nfs/dbraw/zinc/36/33/07/347363307.db2.gz LXRVWPYXALGYCK-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1ccc(OC)cc1 ZINC000191927759 347363311 /nfs/dbraw/zinc/36/33/11/347363311.db2.gz LXRVWPYXALGYCK-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000035054083 358453351 /nfs/dbraw/zinc/45/33/51/358453351.db2.gz NIYACAGOCOYGPA-WCQYABFASA-N 1 2 235.327 2.535 20 0 BFADLO Cc1ccccc1CNc1cc[nH+]c2ccncc12 ZINC000362840447 179275957 /nfs/dbraw/zinc/27/59/57/179275957.db2.gz GTIMNZJYVJPLAW-UHFFFAOYSA-N 1 2 249.317 2.972 20 0 BFADLO Cc1ccccc1OCCCOCc1[nH]cc[nH+]1 ZINC000123852680 179309536 /nfs/dbraw/zinc/30/95/36/179309536.db2.gz MOEPYQASGCAACZ-UHFFFAOYSA-N 1 2 246.310 2.704 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000593277368 347877539 /nfs/dbraw/zinc/87/75/39/347877539.db2.gz BIFHRYFVHQXVEQ-YPMHNXCESA-N 1 2 246.354 2.967 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H]2SC)c1 ZINC000593697851 347929996 /nfs/dbraw/zinc/92/99/96/347929996.db2.gz OAMAVQLVYWATSR-QWRGUYRKSA-N 1 2 238.356 2.534 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000594060899 347996272 /nfs/dbraw/zinc/99/62/72/347996272.db2.gz CEOPMBXVFRVVLP-UHFFFAOYSA-N 1 2 230.311 2.917 20 0 BFADLO COc1ccc(NCCC(C)(C)C)[nH+]c1 ZINC000220798613 490143452 /nfs/dbraw/zinc/14/34/52/490143452.db2.gz WXGIWHRQLMVAGT-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nnsc1Cl ZINC000307389241 323179763 /nfs/dbraw/zinc/17/97/63/323179763.db2.gz QBBXNWAJEGZKRX-CBAPKCEASA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnsc1Cl ZINC000307389241 323179764 /nfs/dbraw/zinc/17/97/64/323179764.db2.gz QBBXNWAJEGZKRX-CBAPKCEASA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152401013 323180853 /nfs/dbraw/zinc/18/08/53/323180853.db2.gz HEHMGRVJRPWSFT-MRVPVSSYSA-N 1 2 221.304 2.618 20 0 BFADLO CC/C=C/C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000419260796 192117218 /nfs/dbraw/zinc/11/72/18/192117218.db2.gz PCCZZMJRMIIVFU-ABZNLYFFSA-N 1 2 227.348 2.520 20 0 BFADLO COC(=O)[C@@]1([NH2+]CC=C(C)C)CC[C@@H](C)CC1 ZINC000595704699 348308286 /nfs/dbraw/zinc/30/82/86/348308286.db2.gz OGSQGGYZJPVPMJ-MQMHXKEQSA-N 1 2 239.359 2.664 20 0 BFADLO CC1=CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000334737756 133744786 /nfs/dbraw/zinc/74/47/86/133744786.db2.gz GIYFRRZSGNFOAW-UHFFFAOYSA-N 1 2 217.316 2.756 20 0 BFADLO Fc1cccc2c1C[N@H+](CCOCC1CCC1)C2 ZINC000419283914 192124174 /nfs/dbraw/zinc/12/41/74/192124174.db2.gz NWEDLFYFFWIUKQ-UHFFFAOYSA-N 1 2 249.329 2.958 20 0 BFADLO Fc1cccc2c1C[N@@H+](CCOCC1CCC1)C2 ZINC000419283914 192124175 /nfs/dbraw/zinc/12/41/75/192124175.db2.gz NWEDLFYFFWIUKQ-UHFFFAOYSA-N 1 2 249.329 2.958 20 0 BFADLO CC[C@@H](CSCc1c[nH+]ccc1OC)OC ZINC000419486626 192139265 /nfs/dbraw/zinc/13/92/65/192139265.db2.gz HUGKYDSDWZQZTK-NSHDSACASA-N 1 2 241.356 2.748 20 0 BFADLO CC(C)CC[N@H+](Cc1csnn1)C1CC1 ZINC000129830313 490172520 /nfs/dbraw/zinc/17/25/20/490172520.db2.gz DFPPRDYTXKNUJP-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC(C)CC[N@@H+](Cc1csnn1)C1CC1 ZINC000129830313 490172525 /nfs/dbraw/zinc/17/25/25/490172525.db2.gz DFPPRDYTXKNUJP-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO c1cn(CCSC[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000596432019 348545430 /nfs/dbraw/zinc/54/54/30/348545430.db2.gz YTLLHROMPBHRRH-ZSBIGDGJSA-N 1 2 222.357 2.662 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1CC(C)C1)c1ccccc1 ZINC000598733270 349035184 /nfs/dbraw/zinc/03/51/84/349035184.db2.gz XZVABDBSSZSZBA-ORHYLEIMSA-N 1 2 247.338 2.536 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cc(C)nc(C)c2)no1 ZINC000421862801 192395979 /nfs/dbraw/zinc/39/59/79/192395979.db2.gz WSBOORAQBFUXKV-LBPRGKRZSA-N 1 2 245.326 2.846 20 0 BFADLO CCc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000309027678 349318094 /nfs/dbraw/zinc/31/80/94/349318094.db2.gz BRXOCCFZKYBHNG-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cn1 ZINC000161329358 349423899 /nfs/dbraw/zinc/42/38/99/349423899.db2.gz SQYIXKLCHNTSCT-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO O=C(C[C@@H]1C=CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000603786127 350025795 /nfs/dbraw/zinc/02/57/95/350025795.db2.gz PZUHSRJAFZVTDI-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO CC(=O)[C@@H](C)SCc1cn2c(cccc2C)[nH+]1 ZINC000083121895 191007280 /nfs/dbraw/zinc/00/72/80/191007280.db2.gz HDSJOAMVYPGNFJ-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO CCc1cnc(CNc2cc(CC)[nH+]cn2)s1 ZINC000230920427 350058467 /nfs/dbraw/zinc/05/84/67/350058467.db2.gz IYOOVTZCSAVKLA-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO CCC1(CC)C[NH+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628306102 350114188 /nfs/dbraw/zinc/11/41/88/350114188.db2.gz MGOZWCIRPURGSL-UHFFFAOYSA-N 1 2 221.348 2.649 20 0 BFADLO CCC1(CC)CN(Cc2[nH]c(C)c(C)[nH+]2)C1 ZINC000628306102 350114191 /nfs/dbraw/zinc/11/41/91/350114191.db2.gz MGOZWCIRPURGSL-UHFFFAOYSA-N 1 2 221.348 2.649 20 0 BFADLO Cc1nc(NCC(C)C)c2c([nH+]1)CCCC2 ZINC000302065733 180067553 /nfs/dbraw/zinc/06/75/53/180067553.db2.gz WACFKQQANXKCGE-UHFFFAOYSA-N 1 2 219.332 2.732 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)cs1 ZINC000330945422 180038164 /nfs/dbraw/zinc/03/81/64/180038164.db2.gz JXAHFMCHBHOTEH-DTWKUNHWSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc([C@H](C)[N@H+](C)CCc2ccccc2)no1 ZINC000289781180 180046840 /nfs/dbraw/zinc/04/68/40/180046840.db2.gz LADDYGMIRIVNGH-NSHDSACASA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc([C@H](C)[N@@H+](C)CCc2ccccc2)no1 ZINC000289781180 180046843 /nfs/dbraw/zinc/04/68/43/180046843.db2.gz LADDYGMIRIVNGH-NSHDSACASA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000360114671 180059773 /nfs/dbraw/zinc/05/97/73/180059773.db2.gz IEHUOQQZXOQAIG-ONGXEEELSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000359931366 180060744 /nfs/dbraw/zinc/06/07/44/180060744.db2.gz JXRJSGZASZSQMV-ONGXEEELSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1nc(N(C)CC2CCC2)c2c([nH+]1)CCCC2 ZINC000302066289 180067672 /nfs/dbraw/zinc/06/76/72/180067672.db2.gz WGHBFACDMJPVPB-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)C3CCC3)ccc2n1C ZINC000296281768 180084334 /nfs/dbraw/zinc/08/43/34/180084334.db2.gz VBNBUQJNFYQOMJ-UHFFFAOYSA-N 1 2 244.294 2.587 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302092173 180068293 /nfs/dbraw/zinc/06/82/93/180068293.db2.gz MOIVIQZCDXHLSJ-QWRGUYRKSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1nc(N[C@H]2CCC[C@H]2F)c2c([nH+]1)CCCC2 ZINC000338845720 180069411 /nfs/dbraw/zinc/06/94/11/180069411.db2.gz UOYDJOKXMNPUOX-YPMHNXCESA-N 1 2 249.333 2.966 20 0 BFADLO Cc1ccc(CCNc2cccc[nH+]2)o1 ZINC000309187042 350159769 /nfs/dbraw/zinc/15/97/69/350159769.db2.gz OZHBIZJZDINQHW-UHFFFAOYSA-N 1 2 202.257 2.638 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)c[nH+]1 ZINC000361262871 180129963 /nfs/dbraw/zinc/12/99/63/180129963.db2.gz UMZYGKWPMUJIPR-NHCYSSNCSA-N 1 2 249.358 2.520 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@H](C)[C@H]2C)c[nH+]1 ZINC000361262873 180130678 /nfs/dbraw/zinc/13/06/78/180130678.db2.gz UMZYGKWPMUJIPR-UMNHJUIQSA-N 1 2 249.358 2.520 20 0 BFADLO Cc1ncc(CNc2cc[nH+]c(C3CC3)n2)s1 ZINC000112553558 180160557 /nfs/dbraw/zinc/16/05/57/180160557.db2.gz PWQNVNZKBVCCGE-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO Cc1ncc(CSCCn2cc[nH+]c2)s1 ZINC000122435708 180162746 /nfs/dbraw/zinc/16/27/46/180162746.db2.gz OZZOMRAAPMGRIQ-UHFFFAOYSA-N 1 2 239.369 2.581 20 0 BFADLO Cc1nc(N2CC[C@@]3(CC[C@@H](C)C3)C2)cc[nH+]1 ZINC000359071449 180195131 /nfs/dbraw/zinc/19/51/31/180195131.db2.gz VZMIXYXEBQFXOW-BXUZGUMPSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C)n2)cc(C)c1O ZINC000266201249 180200350 /nfs/dbraw/zinc/20/03/50/180200350.db2.gz CYLHVRINEZDJDG-UHFFFAOYSA-N 1 2 243.310 2.720 20 0 BFADLO Cc1nc(N[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000054935642 180202031 /nfs/dbraw/zinc/20/20/31/180202031.db2.gz QGRJQAXTKDWJJP-JTQLQIEISA-N 1 2 213.284 2.958 20 0 BFADLO Cc1nc(N[C@@H](C)CCc2ccco2)cc[nH+]1 ZINC000054936310 180202791 /nfs/dbraw/zinc/20/27/91/180202791.db2.gz UHQUCZJHDWANDK-JTQLQIEISA-N 1 2 231.299 2.811 20 0 BFADLO Cc1nc(N[C@@H]2CCO[C@H](CC(C)C)C2)cc[nH+]1 ZINC000272009791 180202809 /nfs/dbraw/zinc/20/28/09/180202809.db2.gz MQCKHCGDTYGVKI-CHWSQXEVSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@@H]2CCCO[C@@H]2CC(C)C)cc[nH+]1 ZINC000186380806 180203619 /nfs/dbraw/zinc/20/36/19/180203619.db2.gz JZNHGJIZWIQJPB-CHWSQXEVSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000054935728 180205905 /nfs/dbraw/zinc/20/59/05/180205905.db2.gz OIOCBUAKVPITOP-KOLCDFICSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@H]2CCO[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000270772967 180207307 /nfs/dbraw/zinc/20/73/07/180207307.db2.gz MIYZEBJCJRRZJG-RYUDHWBXSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(NCCc2cccc(Cl)c2)cc[nH+]1 ZINC000361161310 180181560 /nfs/dbraw/zinc/18/15/60/180181560.db2.gz IESKCSKUGLMBQH-UHFFFAOYSA-N 1 2 247.729 2.515 20 0 BFADLO Cc1nc(N[C@@H](C)c2ccc(F)cc2F)cc[nH+]1 ZINC000361163587 180181576 /nfs/dbraw/zinc/18/15/76/180181576.db2.gz ZFDITJPVSOONON-QMMMGPOBSA-N 1 2 249.264 2.658 20 0 BFADLO Cc1nc(NC[C@@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000360531245 180181765 /nfs/dbraw/zinc/18/17/65/180181765.db2.gz UINRVCLYPODROY-SNVBAGLBSA-N 1 2 245.301 2.562 20 0 BFADLO Cc1cccc(C)c1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000354573777 180181870 /nfs/dbraw/zinc/18/18/70/180181870.db2.gz IYJWHCTWQLJKQG-LBPRGKRZSA-N 1 2 241.338 2.997 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)COC(C)C ZINC000336755995 180226829 /nfs/dbraw/zinc/22/68/29/180226829.db2.gz JFFKHIZENDMNPS-JTQLQIEISA-N 1 2 208.305 2.615 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CCOC2(CCC2)C1 ZINC000295629472 180226989 /nfs/dbraw/zinc/22/69/89/180226989.db2.gz HNQSCNKDEWSJOG-GFCCVEGCSA-N 1 2 232.327 2.904 20 0 BFADLO Cc1ncsc1CNc1ccc[nH+]c1C ZINC000085712122 180227045 /nfs/dbraw/zinc/22/70/45/180227045.db2.gz PCBIBEIKDUUFMP-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1ncsc1CNc1ccc(N(C)C)c[nH+]1 ZINC000427775345 191092021 /nfs/dbraw/zinc/09/20/21/191092021.db2.gz TYWJIHIQZWILHR-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1nnsc1Cl ZINC000037913724 350290647 /nfs/dbraw/zinc/29/06/47/350290647.db2.gz FVQXQELXRBWADT-SSDOTTSWSA-N 1 2 231.752 2.566 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1nnsc1Cl ZINC000037913724 350290650 /nfs/dbraw/zinc/29/06/50/350290650.db2.gz FVQXQELXRBWADT-SSDOTTSWSA-N 1 2 231.752 2.566 20 0 BFADLO CCc1nocc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000637242614 350340934 /nfs/dbraw/zinc/34/09/34/350340934.db2.gz MXUXAMOIXFSGGN-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@H]1F ZINC000621275046 350355732 /nfs/dbraw/zinc/35/57/32/350355732.db2.gz IBAMTENHOUGKBR-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@H]1F ZINC000621275046 350355738 /nfs/dbraw/zinc/35/57/38/350355738.db2.gz IBAMTENHOUGKBR-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO c1cc(CNc2ccc3ccccc3[nH+]2)n[nH]1 ZINC000041016058 350404430 /nfs/dbraw/zinc/40/44/30/350404430.db2.gz NYFGSGAWIQPCST-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO CC[C@@H]([NH2+]C[C@H]1CCSC1)C(F)(F)F ZINC000336670204 350434346 /nfs/dbraw/zinc/43/43/46/350434346.db2.gz YLRKXMRTZDPLTH-HTQZYQBOSA-N 1 2 227.295 2.670 20 0 BFADLO CCc1nc(C[N@H+](C)CCSC)cs1 ZINC000336674765 350432226 /nfs/dbraw/zinc/43/22/26/350432226.db2.gz RMHXJWCGZXMBIY-UHFFFAOYSA-N 1 2 230.402 2.500 20 0 BFADLO CCc1nc(C[N@@H+](C)CCSC)cs1 ZINC000336674765 350432228 /nfs/dbraw/zinc/43/22/28/350432228.db2.gz RMHXJWCGZXMBIY-UHFFFAOYSA-N 1 2 230.402 2.500 20 0 BFADLO CC[N@H+](Cc1cc(C)on1)[C@H](C)c1cccnc1 ZINC000336711550 350463796 /nfs/dbraw/zinc/46/37/96/350463796.db2.gz NQBGMKAZIMSJFR-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1cc(C)on1)[C@H](C)c1cccnc1 ZINC000336711550 350463798 /nfs/dbraw/zinc/46/37/98/350463798.db2.gz NQBGMKAZIMSJFR-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC1(C)CC[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000300334180 490556942 /nfs/dbraw/zinc/55/69/42/490556942.db2.gz XCFZQKWJQQXXBB-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO CC1(C)CC[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000300334180 490556948 /nfs/dbraw/zinc/55/69/48/490556948.db2.gz XCFZQKWJQQXXBB-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000227769509 350514459 /nfs/dbraw/zinc/51/44/59/350514459.db2.gz MNCXPJNRWPRAJV-ZIAGYGMSSA-N 1 2 247.338 2.679 20 0 BFADLO CCCCCC(=O)Nc1c[nH+]ccc1OC ZINC000299532786 168642078 /nfs/dbraw/zinc/64/20/78/168642078.db2.gz ZWCXVFBLWYVRDM-UHFFFAOYSA-N 1 2 222.288 2.609 20 0 BFADLO C[C@@H](Nc1cccc2c1CCO2)c1[nH]cc[nH+]1 ZINC000335665279 538098089 /nfs/dbraw/zinc/09/80/89/538098089.db2.gz VHDWYUNTZKHXLR-SECBINFHSA-N 1 2 229.283 2.518 20 0 BFADLO Nc1c(F)cccc1C[NH2+][C@H]1CCCC1(F)F ZINC000397970655 362975442 /nfs/dbraw/zinc/97/54/42/362975442.db2.gz AXQLPNYKXRKHLP-JTQLQIEISA-N 1 2 244.260 2.685 20 0 BFADLO CCn1c2cc(F)ccc2[nH]c1=[NH+]CC1(C)CC1 ZINC000577573298 365997435 /nfs/dbraw/zinc/99/74/35/365997435.db2.gz QDJKQATUIZUYIE-UHFFFAOYSA-N 1 2 247.317 2.829 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000245421031 350819016 /nfs/dbraw/zinc/81/90/16/350819016.db2.gz HTWJMZMUZGCAEZ-BXUZGUMPSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000245421031 350819018 /nfs/dbraw/zinc/81/90/18/350819018.db2.gz HTWJMZMUZGCAEZ-BXUZGUMPSA-N 1 2 228.295 2.868 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000236924529 350786092 /nfs/dbraw/zinc/78/60/92/350786092.db2.gz WCXGHFIMBDBGJX-UHFFFAOYSA-N 1 2 216.284 2.527 20 0 BFADLO FC1(F)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000306690522 350843552 /nfs/dbraw/zinc/84/35/52/350843552.db2.gz MOOACXFNRYSURP-LLVKDONJSA-N 1 2 211.255 2.964 20 0 BFADLO CC(C)c1cnc(C[NH2+][C@H](C)CF)s1 ZINC000308665540 191124929 /nfs/dbraw/zinc/12/49/29/191124929.db2.gz SGBUSXWRFYAQPB-MRVPVSSYSA-N 1 2 216.325 2.714 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(C#N)c1 ZINC000389906478 351054360 /nfs/dbraw/zinc/05/43/60/351054360.db2.gz HBKALKDMHNOCEU-BDAKNGLRSA-N 1 2 224.254 2.862 20 0 BFADLO C[C@H]1C[NH+](Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000052916633 351078758 /nfs/dbraw/zinc/07/87/58/351078758.db2.gz UNVBQAUXGHHBQK-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO Fc1cccc(C[NH+]2CCC2)c1Br ZINC000306830750 351145427 /nfs/dbraw/zinc/14/54/27/351145427.db2.gz JMQUWXKDSCKWLC-UHFFFAOYSA-N 1 2 244.107 2.794 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631634960 351323690 /nfs/dbraw/zinc/32/36/90/351323690.db2.gz OZDVEHVLEFHKOU-LLVKDONJSA-N 1 2 226.270 2.704 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccoc1 ZINC000389461915 351272583 /nfs/dbraw/zinc/27/25/83/351272583.db2.gz GKAVHJBGEYWECI-YUMQZZPRSA-N 1 2 203.232 2.974 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)SC ZINC000270146738 351374848 /nfs/dbraw/zinc/37/48/48/351374848.db2.gz BZKOJEGBUMCMBD-SECBINFHSA-N 1 2 238.356 2.724 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000277287532 351696697 /nfs/dbraw/zinc/69/66/97/351696697.db2.gz AAGYQOUMRADTKI-VIFPVBQESA-N 1 2 248.248 2.837 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000277287532 351696700 /nfs/dbraw/zinc/69/67/00/351696700.db2.gz AAGYQOUMRADTKI-VIFPVBQESA-N 1 2 248.248 2.837 20 0 BFADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1ccco1 ZINC000637862490 351723931 /nfs/dbraw/zinc/72/39/31/351723931.db2.gz XLEGUZXLIAMNJP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1ccco1 ZINC000637862490 351723932 /nfs/dbraw/zinc/72/39/32/351723932.db2.gz XLEGUZXLIAMNJP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO CCCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000613309146 363089334 /nfs/dbraw/zinc/08/93/34/363089334.db2.gz JKZMKCFQTJWRHE-UHFFFAOYSA-N 1 2 230.311 2.877 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccns2)on1 ZINC000637948777 351824035 /nfs/dbraw/zinc/82/40/35/351824035.db2.gz RBSWTKAMRKCGMS-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccns2)on1 ZINC000637948777 351824038 /nfs/dbraw/zinc/82/40/38/351824038.db2.gz RBSWTKAMRKCGMS-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO C[C@@H](CNc1cccc[nH+]1)Oc1ccccc1 ZINC000072945754 351808012 /nfs/dbraw/zinc/80/80/12/351808012.db2.gz KXZYIQKGRSSKDK-LBPRGKRZSA-N 1 2 228.295 2.961 20 0 BFADLO CO[C@@](C)(C[N@H+](CC(F)F)C1CC1)C1CC1 ZINC000638056470 351932389 /nfs/dbraw/zinc/93/23/89/351932389.db2.gz PEFQYDBRFBJGKN-LBPRGKRZSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@](C)(C[N@@H+](CC(F)F)C1CC1)C1CC1 ZINC000638056470 351932390 /nfs/dbraw/zinc/93/23/90/351932390.db2.gz PEFQYDBRFBJGKN-LBPRGKRZSA-N 1 2 233.302 2.531 20 0 BFADLO CC1(C)CC(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000410877987 191150231 /nfs/dbraw/zinc/15/02/31/191150231.db2.gz ULORAPOSBDFLFC-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1csc(C[NH2+]Cc2cc(C3CC3)no2)n1 ZINC000638343097 352161792 /nfs/dbraw/zinc/16/17/92/352161792.db2.gz KOESFIJUDGSVPZ-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411127618 191161683 /nfs/dbraw/zinc/16/16/83/191161683.db2.gz BCZIOOAVHKPXME-NSHDSACASA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411127618 191161687 /nfs/dbraw/zinc/16/16/87/191161687.db2.gz BCZIOOAVHKPXME-NSHDSACASA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@H+](Cc1[nH]ncc1C)[C@@H](C)c1cccnc1 ZINC000291503029 352277595 /nfs/dbraw/zinc/27/75/95/352277595.db2.gz HORASCGECLLGBK-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1[nH]ncc1C)[C@@H](C)c1cccnc1 ZINC000291503029 352277597 /nfs/dbraw/zinc/27/75/97/352277597.db2.gz HORASCGECLLGBK-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@H+](Cc1n[nH]cc1C)[C@@H](C)c1cccnc1 ZINC000291503029 352277598 /nfs/dbraw/zinc/27/75/98/352277598.db2.gz HORASCGECLLGBK-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1n[nH]cc1C)[C@@H](C)c1cccnc1 ZINC000291503029 352277599 /nfs/dbraw/zinc/27/75/99/352277599.db2.gz HORASCGECLLGBK-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H]1CCC[C@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000340573757 352479057 /nfs/dbraw/zinc/47/90/57/352479057.db2.gz FUMAXOXFJOFUQB-OLZOCXBDSA-N 1 2 248.370 2.624 20 0 BFADLO C[C@@H](CC(=O)NCCCC1CCC1)n1cc[nH+]c1 ZINC000618619700 352545208 /nfs/dbraw/zinc/54/52/08/352545208.db2.gz DLVDNVOQZIBVRJ-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO CCc1noc(C[N@H+](C)[C@H](C)c2ccccc2)n1 ZINC000073641608 352549224 /nfs/dbraw/zinc/54/92/24/352549224.db2.gz SNTYGGYWSCQTCK-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000073641608 352549226 /nfs/dbraw/zinc/54/92/26/352549226.db2.gz SNTYGGYWSCQTCK-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CC[N@H+](Cc1nc(CC2CCCC2)no1)C1CC1 ZINC000340894670 352680438 /nfs/dbraw/zinc/68/04/38/352680438.db2.gz DMADAVDWKSFUCU-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO CC[N@@H+](Cc1nc(CC2CCCC2)no1)C1CC1 ZINC000340894670 352680440 /nfs/dbraw/zinc/68/04/40/352680440.db2.gz DMADAVDWKSFUCU-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1ccc[nH+]c1C)OC ZINC000638785859 352740798 /nfs/dbraw/zinc/74/07/98/352740798.db2.gz GTXWINZMJZFDGP-ZWNOBZJWSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1c[nH+]cc(NC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000638787512 352743498 /nfs/dbraw/zinc/74/34/98/352743498.db2.gz IKBJVHDUFHKESU-ZSBIGDGJSA-N 1 2 202.301 2.848 20 0 BFADLO C[C@H]1C[N@H+](Cc2nc(C3CCCC3)no2)[C@H]1C ZINC000334174133 352758785 /nfs/dbraw/zinc/75/87/85/352758785.db2.gz BGGXPSCVGJLBLG-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nc(C3CCCC3)no2)[C@H]1C ZINC000334174133 352758787 /nfs/dbraw/zinc/75/87/87/352758787.db2.gz BGGXPSCVGJLBLG-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(C3CCCC3)no2)[C@H]1C ZINC000334174146 352758904 /nfs/dbraw/zinc/75/89/04/352758904.db2.gz BGGXPSCVGJLBLG-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(C3CCCC3)no2)[C@H]1C ZINC000334174146 352758907 /nfs/dbraw/zinc/75/89/07/352758907.db2.gz BGGXPSCVGJLBLG-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO CCc1nc(N2CCC[C@@H]2C(F)F)cc(C)[nH+]1 ZINC000334180417 352768099 /nfs/dbraw/zinc/76/80/99/352768099.db2.gz DWZJEVJTDWEYKH-SECBINFHSA-N 1 2 241.285 2.581 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C)c2csnn2)c1 ZINC000412043718 191248919 /nfs/dbraw/zinc/24/89/19/191248919.db2.gz QBGLBQPLRLXENZ-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC(C)[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000366788954 352826972 /nfs/dbraw/zinc/82/69/72/352826972.db2.gz INBPSRACBIDNLM-WCQYABFASA-N 1 2 244.342 2.528 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000334240920 352828563 /nfs/dbraw/zinc/82/85/63/352828563.db2.gz MQIMRRIMULXJHX-WDEREUQCSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000334240920 352828566 /nfs/dbraw/zinc/82/85/66/352828566.db2.gz MQIMRRIMULXJHX-WDEREUQCSA-N 1 2 249.358 2.742 20 0 BFADLO c1cn2c(n1)C[N@H+]([C@H]1/C=C/CCCCC1)CC2 ZINC000334199950 352792141 /nfs/dbraw/zinc/79/21/41/352792141.db2.gz PXRYBWJWLRTTBP-BPJJOFIESA-N 1 2 231.343 2.588 20 0 BFADLO c1cn2c(n1)C[N@@H+]([C@H]1/C=C/CCCCC1)CC2 ZINC000334199950 352792144 /nfs/dbraw/zinc/79/21/44/352792144.db2.gz PXRYBWJWLRTTBP-BPJJOFIESA-N 1 2 231.343 2.588 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334245698 352835442 /nfs/dbraw/zinc/83/54/42/352835442.db2.gz GGWRXJOOPUNEAV-SECBINFHSA-N 1 2 241.285 2.676 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334245698 352835443 /nfs/dbraw/zinc/83/54/43/352835443.db2.gz GGWRXJOOPUNEAV-SECBINFHSA-N 1 2 241.285 2.676 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1ccccc1C ZINC000334229636 352847025 /nfs/dbraw/zinc/84/70/25/352847025.db2.gz IMWJSRXGTXTJJS-UHFFFAOYSA-N 1 2 240.306 2.627 20 0 BFADLO COc1ccc(NC[C@H](CC(C)C)OC)[nH+]c1 ZINC000642278448 363199454 /nfs/dbraw/zinc/19/94/54/363199454.db2.gz PZQLWMXMVXVKCB-LBPRGKRZSA-N 1 2 238.331 2.563 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)[C@H]1CC1(F)F ZINC000638823358 353004547 /nfs/dbraw/zinc/00/45/47/353004547.db2.gz KTCXLNVEWYVHPW-JGVFFNPUSA-N 1 2 228.242 2.546 20 0 BFADLO CCc1cc(N[C@H](C)CC(F)(F)F)nc[nH+]1 ZINC000231749089 538107057 /nfs/dbraw/zinc/10/70/57/538107057.db2.gz XUAMCYHOMJIFLH-SSDOTTSWSA-N 1 2 233.237 2.792 20 0 BFADLO CC1([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CCC1 ZINC000638889529 353058194 /nfs/dbraw/zinc/05/81/94/353058194.db2.gz BPZYNXSEZFSEBU-GFCCVEGCSA-N 1 2 248.374 2.958 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)o1 ZINC000231787910 538107420 /nfs/dbraw/zinc/10/74/20/538107420.db2.gz CODWPKBQSVQCRD-CABZTGNLSA-N 1 2 246.310 2.989 20 0 BFADLO CO[C@@H]1CCC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000232073345 538108051 /nfs/dbraw/zinc/10/80/51/538108051.db2.gz STCACEOJCRVURS-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638941128 353131169 /nfs/dbraw/zinc/13/11/69/353131169.db2.gz VIFSWWDPCOSOMF-UHFFFAOYSA-N 1 2 243.285 2.689 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638941128 353131171 /nfs/dbraw/zinc/13/11/71/353131171.db2.gz VIFSWWDPCOSOMF-UHFFFAOYSA-N 1 2 243.285 2.689 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000280316258 188031793 /nfs/dbraw/zinc/03/17/93/188031793.db2.gz XPVBADHHTKQGNK-VIFPVBQESA-N 1 2 247.264 2.573 20 0 BFADLO COc1ccc2[nH+]c(NCCC3CC3)ccc2c1 ZINC000608092346 353119374 /nfs/dbraw/zinc/11/93/74/353119374.db2.gz OORFVRWPXUIFMS-UHFFFAOYSA-N 1 2 242.322 2.877 20 0 BFADLO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297739806 188040965 /nfs/dbraw/zinc/04/09/65/188040965.db2.gz KXNDUNIGVLAMKW-RYUDHWBXSA-N 1 2 243.310 2.565 20 0 BFADLO CC(=O)CC(C)(C)CC(=O)Nc1cc[nH+]cc1C ZINC000191835862 188004247 /nfs/dbraw/zinc/00/42/47/188004247.db2.gz JWAUCWVWOHGNMS-UHFFFAOYSA-N 1 2 248.326 2.724 20 0 BFADLO Fc1ccc(COc2cc[nH+]cc2)cc1 ZINC000165147965 353174541 /nfs/dbraw/zinc/17/45/41/353174541.db2.gz FNORKTBSLCISEW-UHFFFAOYSA-N 1 2 203.216 2.800 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1cc(F)ccc1F ZINC000093326693 538109827 /nfs/dbraw/zinc/10/98/27/538109827.db2.gz OPSSDBZUHILPGH-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO FC(F)Oc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000516122849 538111859 /nfs/dbraw/zinc/11/18/59/538111859.db2.gz CLHIYRHXCITKIV-UHFFFAOYSA-N 1 2 239.225 2.623 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccs1 ZINC000134544693 538112913 /nfs/dbraw/zinc/11/29/13/538112913.db2.gz JLDWMQKJLCGQOX-QMMMGPOBSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000134548525 538112924 /nfs/dbraw/zinc/11/29/24/538112924.db2.gz KQXCAJOPXGNFIR-QMMMGPOBSA-N 1 2 221.329 2.630 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354322137 188235473 /nfs/dbraw/zinc/23/54/73/188235473.db2.gz MUXWARGKOCAMMM-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO COC1CC(N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000343269657 353286143 /nfs/dbraw/zinc/28/61/43/353286143.db2.gz KCNCIABUVCUNJS-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO Cc1ccc(C[S@](=O)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000357827119 188239699 /nfs/dbraw/zinc/23/96/99/188239699.db2.gz GRKQSHXVVGBDGJ-WBMJQRKESA-N 1 2 239.384 2.992 20 0 BFADLO Cc1nc(N(C)Cc2ccc(F)cc2F)cc[nH+]1 ZINC000360217001 188242980 /nfs/dbraw/zinc/24/29/80/188242980.db2.gz CFXNBDLMQBGUOF-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO Cc1cccc(C(=O)Nc2ccc(C)[nH+]c2C)n1 ZINC000119235350 188247704 /nfs/dbraw/zinc/24/77/04/188247704.db2.gz YZJYDRUCFFDKBV-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO FCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000295025497 180921748 /nfs/dbraw/zinc/92/17/48/180921748.db2.gz RDTYFHAHLGYORP-UHFFFAOYSA-N 1 2 233.290 2.749 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000049368571 188298897 /nfs/dbraw/zinc/29/88/97/188298897.db2.gz RRRREDRZCIAUGP-CHWSQXEVSA-N 1 2 249.354 2.549 20 0 BFADLO COc1ccc(NCc2cccc(F)c2)[nH+]c1 ZINC000225895340 538114583 /nfs/dbraw/zinc/11/45/83/538114583.db2.gz SDCXHMLKHHOJQL-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO COc1ccc(N[C@@H]2CCC[C@H]2C)[nH+]c1 ZINC000225894298 538114603 /nfs/dbraw/zinc/11/46/03/538114603.db2.gz JGSOKNXQWZDTGZ-MWLCHTKSSA-N 1 2 206.289 2.691 20 0 BFADLO Brc1ncc(C[NH+]2CCCC2)s1 ZINC000098177691 188322401 /nfs/dbraw/zinc/32/24/01/188322401.db2.gz QAMUBCOGTSVDFA-UHFFFAOYSA-N 1 2 247.161 2.501 20 0 BFADLO CC(C)(C)[C@H]([NH2+]CC1CC1)C(F)(F)F ZINC000308492818 353357634 /nfs/dbraw/zinc/35/76/34/353357634.db2.gz CGGIRANEGGLJGD-QMMMGPOBSA-N 1 2 209.255 2.963 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](O)CC1CCCC1 ZINC000190499402 353359390 /nfs/dbraw/zinc/35/93/90/353359390.db2.gz DYKWYOQKQZYRDN-GFCCVEGCSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](O)CC1CCCC1 ZINC000190499402 353359393 /nfs/dbraw/zinc/35/93/93/353359393.db2.gz DYKWYOQKQZYRDN-GFCCVEGCSA-N 1 2 249.345 2.905 20 0 BFADLO Cc1nc(N2CCC[C@@H]2c2ccncc2)cc[nH+]1 ZINC000157711255 188333230 /nfs/dbraw/zinc/33/32/30/188333230.db2.gz BXBPSQYGFDIGSR-CYBMUJFWSA-N 1 2 240.310 2.522 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000177477022 188341625 /nfs/dbraw/zinc/34/16/25/188341625.db2.gz CZVYDZHBPJKJDT-FRRDWIJNSA-N 1 2 249.354 2.720 20 0 BFADLO CC(C)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000274136040 188378645 /nfs/dbraw/zinc/37/86/45/188378645.db2.gz FZLRVZZWXRCEFD-LBPRGKRZSA-N 1 2 238.400 2.835 20 0 BFADLO Cc1ccc(Cc2noc([C@@H](C)C3CC3)n2)c[nH+]1 ZINC000273913639 188378663 /nfs/dbraw/zinc/37/86/63/188378663.db2.gz KJOULYCKMWHODW-JTQLQIEISA-N 1 2 243.310 2.877 20 0 BFADLO COC(=O)[C@H](c1ccsc1)[N@H+](C)CC(C)C ZINC000280191230 188383406 /nfs/dbraw/zinc/38/34/06/188383406.db2.gz ZXVDUZDQDYZGGA-NSHDSACASA-N 1 2 241.356 2.550 20 0 BFADLO COC(=O)[C@H](c1ccsc1)[N@@H+](C)CC(C)C ZINC000280191230 188383408 /nfs/dbraw/zinc/38/34/08/188383408.db2.gz ZXVDUZDQDYZGGA-NSHDSACASA-N 1 2 241.356 2.550 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C)[C@H]1C ZINC000287601232 188388196 /nfs/dbraw/zinc/38/81/96/188388196.db2.gz SBIUWTVLPGMUFP-BXKDBHETSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000293980661 188392819 /nfs/dbraw/zinc/39/28/19/188392819.db2.gz IJKSLQOJCUEWPP-RYUDHWBXSA-N 1 2 231.343 2.800 20 0 BFADLO Fc1ccc(C[NH2+]Cc2nccs2)cc1F ZINC000040443951 180969001 /nfs/dbraw/zinc/96/90/01/180969001.db2.gz VKBVWBNFVHSTNA-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000336257068 188410145 /nfs/dbraw/zinc/41/01/45/188410145.db2.gz XOSKRORPABBCOW-UFBFGSQYSA-N 1 2 232.327 2.991 20 0 BFADLO Fc1cccc(F)c1CNc1cccc[nH+]1 ZINC000083350275 181000574 /nfs/dbraw/zinc/00/05/74/181000574.db2.gz ALORFICNEOSASG-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO Fc1cccc2c1CC[C@H]2[NH2+]Cc1cocn1 ZINC000272114472 181006321 /nfs/dbraw/zinc/00/63/21/181006321.db2.gz IYJQERCQLODSPR-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO Fc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294261550 181001984 /nfs/dbraw/zinc/00/19/84/181001984.db2.gz XFTSDWHKZDJVCL-LLVKDONJSA-N 1 2 217.247 2.579 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ccccn2)CC1 ZINC000076766621 181010858 /nfs/dbraw/zinc/01/08/58/181010858.db2.gz YZTRTJYXADVBLT-UHFFFAOYSA-N 1 2 242.297 3.000 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343430321 353883640 /nfs/dbraw/zinc/88/36/40/353883640.db2.gz UKSDHYMDRLYINY-RYUDHWBXSA-N 1 2 249.358 2.791 20 0 BFADLO CCC[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000639137777 353854392 /nfs/dbraw/zinc/85/43/92/353854392.db2.gz IGWSUTVABOQFPM-WDEREUQCSA-N 1 2 235.318 2.921 20 0 BFADLO CCC[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000639137777 353854395 /nfs/dbraw/zinc/85/43/95/353854395.db2.gz IGWSUTVABOQFPM-WDEREUQCSA-N 1 2 235.318 2.921 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccoc1 ZINC000343549183 353919669 /nfs/dbraw/zinc/91/96/69/353919669.db2.gz LHACKAUDYLIOQX-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccoc1 ZINC000343549183 353919673 /nfs/dbraw/zinc/91/96/73/353919673.db2.gz LHACKAUDYLIOQX-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000343741503 353970161 /nfs/dbraw/zinc/97/01/61/353970161.db2.gz KKWUWUIVJFHCJH-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000343785368 353989867 /nfs/dbraw/zinc/98/98/67/353989867.db2.gz HKXUJZYYELQWFA-ZDUSSCGKSA-N 1 2 227.311 2.652 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000334551879 353992569 /nfs/dbraw/zinc/99/25/69/353992569.db2.gz DTOPZFQMNGWPAF-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000334551879 353992571 /nfs/dbraw/zinc/99/25/71/353992571.db2.gz DTOPZFQMNGWPAF-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO CC[C@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000343812576 354011865 /nfs/dbraw/zinc/01/18/65/354011865.db2.gz KSOCGOVVSFYZBX-LBPRGKRZSA-N 1 2 219.332 2.802 20 0 BFADLO C[C@H]1CC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343811906 354011918 /nfs/dbraw/zinc/01/19/18/354011918.db2.gz SLXRUBSACTVQKD-GXSJLCMTSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@H]1CC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343811906 354011921 /nfs/dbraw/zinc/01/19/21/354011921.db2.gz SLXRUBSACTVQKD-GXSJLCMTSA-N 1 2 232.331 2.509 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2cccs2)o1 ZINC000053428859 363286380 /nfs/dbraw/zinc/28/63/80/363286380.db2.gz FXJXZYNSELKTPT-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2cccs2)o1 ZINC000053428859 363286385 /nfs/dbraw/zinc/28/63/85/363286385.db2.gz FXJXZYNSELKTPT-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nc(NC[C@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000230431413 363311384 /nfs/dbraw/zinc/31/13/84/363311384.db2.gz WAFBPTPTCFXOLR-KOLCDFICSA-N 1 2 205.305 2.633 20 0 BFADLO CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000613455866 363299406 /nfs/dbraw/zinc/29/94/06/363299406.db2.gz JZMRQFCZOIGPPL-TZMCWYRMSA-N 1 2 249.354 2.987 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449697035 202004300 /nfs/dbraw/zinc/00/43/00/202004300.db2.gz JTBVDLQRQUWFPT-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)o1 ZINC000449698458 202004543 /nfs/dbraw/zinc/00/45/43/202004543.db2.gz NRPQANGOSULBDQ-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO CC(C)C[C@@H](C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000344103552 354159228 /nfs/dbraw/zinc/15/92/28/354159228.db2.gz FHYFEGOFYRBVKE-LLVKDONJSA-N 1 2 235.318 2.636 20 0 BFADLO CC(C)C[C@@H](C)C[N@H+]1CCOCC(F)(F)C1 ZINC000344103552 354159229 /nfs/dbraw/zinc/15/92/29/354159229.db2.gz FHYFEGOFYRBVKE-LLVKDONJSA-N 1 2 235.318 2.636 20 0 BFADLO CC(C)c1cnc(C[NH+]2CCSCC2)s1 ZINC000334588277 354215410 /nfs/dbraw/zinc/21/54/10/354215410.db2.gz WFAJBRJSSCMFQB-UHFFFAOYSA-N 1 2 242.413 2.815 20 0 BFADLO CC[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000334590892 354221928 /nfs/dbraw/zinc/22/19/28/354221928.db2.gz PBELNKWTVGVSTR-QMMMGPOBSA-N 1 2 206.289 2.683 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C)nn1)C2 ZINC000334608193 354315771 /nfs/dbraw/zinc/31/57/71/354315771.db2.gz AKWGPEYZSYOYFV-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C)nn1)C2 ZINC000334608193 354315775 /nfs/dbraw/zinc/31/57/75/354315775.db2.gz AKWGPEYZSYOYFV-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Clc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000086452681 491061804 /nfs/dbraw/zinc/06/18/04/491061804.db2.gz QKIZXDGLRPEMJS-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)o1 ZINC000639185463 354380529 /nfs/dbraw/zinc/38/05/29/354380529.db2.gz BAUZAPFSZZUFFE-IINYFYTJSA-N 1 2 244.294 2.595 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000334674243 354416760 /nfs/dbraw/zinc/41/67/60/354416760.db2.gz WRAXBIZVFVQICO-VIFPVBQESA-N 1 2 243.397 2.691 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@@H](C)C2)s1 ZINC000334674243 354416765 /nfs/dbraw/zinc/41/67/65/354416765.db2.gz WRAXBIZVFVQICO-VIFPVBQESA-N 1 2 243.397 2.691 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1CCCC2(CC2)C1 ZINC000334676904 354420326 /nfs/dbraw/zinc/42/03/26/354420326.db2.gz USWLTTPWURRDQF-UHFFFAOYSA-N 1 2 249.383 2.792 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1CCCC2(CC2)C1 ZINC000334676904 354420327 /nfs/dbraw/zinc/42/03/27/354420327.db2.gz USWLTTPWURRDQF-UHFFFAOYSA-N 1 2 249.383 2.792 20 0 BFADLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000334654655 354448010 /nfs/dbraw/zinc/44/80/10/354448010.db2.gz QXYIUJJOPNVLHR-JTQLQIEISA-N 1 2 249.358 2.840 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCc2sccc2C1 ZINC000334664702 354466021 /nfs/dbraw/zinc/46/60/21/354466021.db2.gz XVUIQVIOUHPAHE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cnccc1C[N@H+]1CCc2sccc2C1 ZINC000334664702 354466022 /nfs/dbraw/zinc/46/60/22/354466022.db2.gz XVUIQVIOUHPAHE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCC1 ZINC000334748530 354473040 /nfs/dbraw/zinc/47/30/40/354473040.db2.gz AZIFRNDETIHREC-GHMZBOCLSA-N 1 2 247.342 2.585 20 0 BFADLO NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000334690554 354479255 /nfs/dbraw/zinc/47/92/55/354479255.db2.gz SZPOOESHKQTNMG-NSHDSACASA-N 1 2 240.253 2.637 20 0 BFADLO NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000334690554 354479256 /nfs/dbraw/zinc/47/92/56/354479256.db2.gz SZPOOESHKQTNMG-NSHDSACASA-N 1 2 240.253 2.637 20 0 BFADLO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000334690551 354479354 /nfs/dbraw/zinc/47/93/54/354479354.db2.gz SZPOOESHKQTNMG-LLVKDONJSA-N 1 2 240.253 2.637 20 0 BFADLO NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000334690551 354479356 /nfs/dbraw/zinc/47/93/56/354479356.db2.gz SZPOOESHKQTNMG-LLVKDONJSA-N 1 2 240.253 2.637 20 0 BFADLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000334694950 354486088 /nfs/dbraw/zinc/48/60/88/354486088.db2.gz HGIDXKFAEQGMKQ-SNVBAGLBSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@H]2C)[nH+]1 ZINC000334710785 354507821 /nfs/dbraw/zinc/50/78/21/354507821.db2.gz PRSWOTXGQYGMRR-RKDXNWHRSA-N 1 2 230.315 2.501 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)C2=CCCCC2)c2[nH+]ccn21 ZINC000334715175 354513539 /nfs/dbraw/zinc/51/35/39/354513539.db2.gz RCDURCUXOFNQLM-PWSUYJOCSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1nc(N2CC(C)(CC(F)(F)F)C2)cc[nH+]1 ZINC000334800053 354555579 /nfs/dbraw/zinc/55/55/79/354555579.db2.gz SOSTVKPCHXENKG-UHFFFAOYSA-N 1 2 245.248 2.564 20 0 BFADLO Fc1ccc2nc(C[N@H+]3CC[C@H](F)C3)oc2c1 ZINC000334813417 354570473 /nfs/dbraw/zinc/57/04/73/354570473.db2.gz RZAOVXFWFBMEEM-VIFPVBQESA-N 1 2 238.237 2.511 20 0 BFADLO Fc1ccc2nc(C[N@@H+]3CC[C@H](F)C3)oc2c1 ZINC000334813417 354570475 /nfs/dbraw/zinc/57/04/75/354570475.db2.gz RZAOVXFWFBMEEM-VIFPVBQESA-N 1 2 238.237 2.511 20 0 BFADLO CC[C@]1(C)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000334755654 354577781 /nfs/dbraw/zinc/57/77/81/354577781.db2.gz IDTYWFYMDNERJI-GXFFZTMASA-N 1 2 237.347 2.951 20 0 BFADLO CC[C@]1(C)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000334755654 354577783 /nfs/dbraw/zinc/57/77/83/354577783.db2.gz IDTYWFYMDNERJI-GXFFZTMASA-N 1 2 237.347 2.951 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335097845 354638270 /nfs/dbraw/zinc/63/82/70/354638270.db2.gz WNPGKKRWHJPABA-SSDOTTSWSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000335097845 354638274 /nfs/dbraw/zinc/63/82/74/354638274.db2.gz WNPGKKRWHJPABA-SSDOTTSWSA-N 1 2 245.273 2.628 20 0 BFADLO Cn1c(C[NH2+]CC(C)(F)F)cc2ccccc21 ZINC000639207625 354690879 /nfs/dbraw/zinc/69/08/79/354690879.db2.gz IYAUCDHLCCIKSS-UHFFFAOYSA-N 1 2 238.281 2.923 20 0 BFADLO CC(C)C[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232637568 363377979 /nfs/dbraw/zinc/37/79/79/363377979.db2.gz JHWRZZVNOLDAOB-ZETCQYMHSA-N 1 2 228.727 2.559 20 0 BFADLO CC(C)C[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232637568 363377984 /nfs/dbraw/zinc/37/79/84/363377984.db2.gz JHWRZZVNOLDAOB-ZETCQYMHSA-N 1 2 228.727 2.559 20 0 BFADLO FC1(F)CC[N@H+](CCCOc2ccccc2)C1 ZINC000345898567 354802323 /nfs/dbraw/zinc/80/23/23/354802323.db2.gz CAAWBYUTOMIZCJ-UHFFFAOYSA-N 1 2 241.281 2.797 20 0 BFADLO FC1(F)CC[N@@H+](CCCOc2ccccc2)C1 ZINC000345898567 354802327 /nfs/dbraw/zinc/80/23/27/354802327.db2.gz CAAWBYUTOMIZCJ-UHFFFAOYSA-N 1 2 241.281 2.797 20 0 BFADLO CCCC[N@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053608083 363419514 /nfs/dbraw/zinc/41/95/14/363419514.db2.gz DPZIRKMBTMBMCQ-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CCCC[N@@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053608083 363419523 /nfs/dbraw/zinc/41/95/23/363419523.db2.gz DPZIRKMBTMBMCQ-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000346319206 354894550 /nfs/dbraw/zinc/89/45/50/354894550.db2.gz DZWZUTFXFKJKER-LLVKDONJSA-N 1 2 207.292 2.834 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CCC1CC1 ZINC000346373015 354903080 /nfs/dbraw/zinc/90/30/80/354903080.db2.gz ZPHMUACWFRUINV-LLVKDONJSA-N 1 2 247.342 2.512 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccc(F)cn2)n1 ZINC000346439298 354937722 /nfs/dbraw/zinc/93/77/22/354937722.db2.gz SDGNPAGQDWVHNV-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccc(F)cn2)n1 ZINC000346439298 354937723 /nfs/dbraw/zinc/93/77/23/354937723.db2.gz SDGNPAGQDWVHNV-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000346519530 354974002 /nfs/dbraw/zinc/97/40/02/354974002.db2.gz HCDNRTYXZCUGFB-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000335197561 355031179 /nfs/dbraw/zinc/03/11/79/355031179.db2.gz ZBXLAHLUBWZXJK-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000335197561 355031182 /nfs/dbraw/zinc/03/11/82/355031182.db2.gz ZBXLAHLUBWZXJK-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO Cc1ccc(NC(=O)CC2(C)CC2)c(C)[nH+]1 ZINC000335210501 355047164 /nfs/dbraw/zinc/04/71/64/355047164.db2.gz XXMCBZKNKLLVSY-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC23CCCCC3)cc[nH+]1 ZINC000346821882 355124937 /nfs/dbraw/zinc/12/49/37/355124937.db2.gz YDIRMSPKJOHGTD-ZDUSSCGKSA-N 1 2 244.338 2.721 20 0 BFADLO CCCC1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000346818975 355123881 /nfs/dbraw/zinc/12/38/81/355123881.db2.gz QPDAEPQLJCUEBL-UHFFFAOYSA-N 1 2 232.327 2.721 20 0 BFADLO Cc1cc(NC(=O)CC2CCC(C)CC2)cc[nH+]1 ZINC000346842583 355133224 /nfs/dbraw/zinc/13/32/24/355133224.db2.gz LDKQUIHPVHIURV-UHFFFAOYSA-N 1 2 246.354 2.967 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000639229742 355155208 /nfs/dbraw/zinc/15/52/08/355155208.db2.gz XTOXQEADTJRCJP-SECBINFHSA-N 1 2 230.233 2.563 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000639229742 355155213 /nfs/dbraw/zinc/15/52/13/355155213.db2.gz XTOXQEADTJRCJP-SECBINFHSA-N 1 2 230.233 2.563 20 0 BFADLO C1=CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413157652 191356657 /nfs/dbraw/zinc/35/66/57/191356657.db2.gz QQPSMBGINDRJMP-JTQLQIEISA-N 1 2 230.315 2.572 20 0 BFADLO C1=CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413157652 191356660 /nfs/dbraw/zinc/35/66/60/191356660.db2.gz QQPSMBGINDRJMP-JTQLQIEISA-N 1 2 230.315 2.572 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413126293 191357924 /nfs/dbraw/zinc/35/79/24/191357924.db2.gz SPOOIEVGJGIZCS-MWLCHTKSSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413126293 191357925 /nfs/dbraw/zinc/35/79/25/191357925.db2.gz SPOOIEVGJGIZCS-MWLCHTKSSA-N 1 2 232.331 2.651 20 0 BFADLO CCc1cc(N)nc(S[C@@H](C)C(C)C)[nH+]1 ZINC000413004562 191336933 /nfs/dbraw/zinc/33/69/33/191336933.db2.gz KIIOJJYOLLZJTE-QMMMGPOBSA-N 1 2 225.361 2.588 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413051261 191351479 /nfs/dbraw/zinc/35/14/79/191351479.db2.gz FSTLCESGPSHCEO-SNVBAGLBSA-N 1 2 234.347 2.676 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413051261 191351480 /nfs/dbraw/zinc/35/14/80/191351480.db2.gz FSTLCESGPSHCEO-SNVBAGLBSA-N 1 2 234.347 2.676 20 0 BFADLO CCC[C@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413051260 191351556 /nfs/dbraw/zinc/35/15/56/191351556.db2.gz FSTLCESGPSHCEO-JTQLQIEISA-N 1 2 234.347 2.676 20 0 BFADLO CCC[C@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413051260 191351558 /nfs/dbraw/zinc/35/15/58/191351558.db2.gz FSTLCESGPSHCEO-JTQLQIEISA-N 1 2 234.347 2.676 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CCC[C@H]4C[C@H]43)c2cn1 ZINC000413466353 191382013 /nfs/dbraw/zinc/38/20/13/191382013.db2.gz XNAILULBWUSSKQ-MISXGVKJSA-N 1 2 239.322 2.652 20 0 BFADLO CC[C@]1(C)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413186045 191361782 /nfs/dbraw/zinc/36/17/82/191361782.db2.gz AOJOWGARPXYRIL-CQSZACIVSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@]1(C)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413186045 191361784 /nfs/dbraw/zinc/36/17/84/191361784.db2.gz AOJOWGARPXYRIL-CQSZACIVSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@@H]1C ZINC000413223586 191365403 /nfs/dbraw/zinc/36/54/03/191365403.db2.gz XCQVUQXYUPUHDZ-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CC[C@@H]1C ZINC000413223586 191365406 /nfs/dbraw/zinc/36/54/06/191365406.db2.gz XCQVUQXYUPUHDZ-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000413307901 191371327 /nfs/dbraw/zinc/37/13/27/191371327.db2.gz BQDUEQVBOUHTNL-ZJUUUORDSA-N 1 2 232.331 2.509 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000413307901 191371328 /nfs/dbraw/zinc/37/13/28/191371328.db2.gz BQDUEQVBOUHTNL-ZJUUUORDSA-N 1 2 232.331 2.509 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CCCC(F)(F)C1 ZINC000651896518 491077583 /nfs/dbraw/zinc/07/75/83/491077583.db2.gz VOTDPPJKMCRVMV-UHFFFAOYSA-N 1 2 243.301 2.695 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCC(C)(C)C2)c(C)c[nH+]1 ZINC000583519391 355384845 /nfs/dbraw/zinc/38/48/45/355384845.db2.gz DIGJMPBSGKLTBE-GFCCVEGCSA-N 1 2 246.354 2.885 20 0 BFADLO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000639276676 355350880 /nfs/dbraw/zinc/35/08/80/355350880.db2.gz CRRNQHJNCGKYGQ-STQMWFEESA-N 1 2 248.326 2.870 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(-c2ccco2)no1 ZINC000349760129 355427621 /nfs/dbraw/zinc/42/76/21/355427621.db2.gz NWEAMKOBMFOBPF-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO CN(C)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000335796831 355453545 /nfs/dbraw/zinc/45/35/45/355453545.db2.gz XBFGYANBVRJWTN-UHFFFAOYSA-N 1 2 242.278 2.576 20 0 BFADLO CCc1cc(NCc2[nH+]ccn2C)ccc1F ZINC000349787442 355463151 /nfs/dbraw/zinc/46/31/51/355463151.db2.gz IYOARLSKZULEAA-UHFFFAOYSA-N 1 2 233.290 2.734 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCCC[C@@H]1C ZINC000335804179 355474147 /nfs/dbraw/zinc/47/41/47/355474147.db2.gz YJTZDEFKOMKGLD-LBPRGKRZSA-N 1 2 247.342 2.608 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cncc(F)c1 ZINC000349828659 355487044 /nfs/dbraw/zinc/48/70/44/355487044.db2.gz BEYNYOBFPWOYQB-BDAKNGLRSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccon1 ZINC000349828661 355487060 /nfs/dbraw/zinc/48/70/60/355487060.db2.gz BEYNYOBFPWOYQB-IUCAKERBSA-N 1 2 235.262 2.621 20 0 BFADLO C[NH2+]Cc1noc(CC[C@@H](C)c2ccccc2)n1 ZINC000349938129 355532099 /nfs/dbraw/zinc/53/20/99/355532099.db2.gz WBEMXZMKQIGZRP-LLVKDONJSA-N 1 2 245.326 2.525 20 0 BFADLO C[NH2+]Cc1noc([C@H](C)CCC(C)(C)C)n1 ZINC000349883964 355518234 /nfs/dbraw/zinc/51/82/34/355518234.db2.gz PWCFXBZHZUCWBO-SECBINFHSA-N 1 2 225.336 2.719 20 0 BFADLO C[NH2+]Cc1noc([C@@H](C)CCC(C)(C)C)n1 ZINC000349883965 355518328 /nfs/dbraw/zinc/51/83/28/355518328.db2.gz PWCFXBZHZUCWBO-VIFPVBQESA-N 1 2 225.336 2.719 20 0 BFADLO CCCn1ncc(NCc2[nH]cc[nH+]2)c1C1CC1 ZINC000583545869 355522038 /nfs/dbraw/zinc/52/20/38/355522038.db2.gz DCQNMPAFHBAODV-UHFFFAOYSA-N 1 2 245.330 2.506 20 0 BFADLO C[NH2+]Cc1noc(C[C@H]2CCCC(C)(C)C2)n1 ZINC000349908391 355523684 /nfs/dbraw/zinc/52/36/84/355523684.db2.gz JIJFWCAQQQDJLR-SNVBAGLBSA-N 1 2 237.347 2.548 20 0 BFADLO COC[C@H](Nc1[nH+]cccc1SC)C1CC1 ZINC000639295911 355590756 /nfs/dbraw/zinc/59/07/56/355590756.db2.gz SFQOGDAYDDSKPE-JTQLQIEISA-N 1 2 238.356 2.640 20 0 BFADLO Cc1ccc(C[NH+]2CC3(CC3(F)F)C2)c(F)c1 ZINC000639296031 355591477 /nfs/dbraw/zinc/59/14/77/355591477.db2.gz LQROADAZCNRGHG-UHFFFAOYSA-N 1 2 241.256 2.975 20 0 BFADLO Cc1ccn2c(CN3CCC=C(F)C3)c[nH+]c2c1 ZINC000335852716 355597239 /nfs/dbraw/zinc/59/72/39/355597239.db2.gz CRYOKTPKJJUCNX-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO CCc1cc[nH+]cc1NCCC1CCOCC1 ZINC000639296924 355599738 /nfs/dbraw/zinc/59/97/38/355599738.db2.gz XLPYMBDMLSROTQ-UHFFFAOYSA-N 1 2 234.343 2.873 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000639310093 355666045 /nfs/dbraw/zinc/66/60/45/355666045.db2.gz BNWQFLZVDAALRP-WPRPVWTQSA-N 1 2 242.269 2.684 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000639310091 355666721 /nfs/dbraw/zinc/66/67/21/355666721.db2.gz BNWQFLZVDAALRP-SCZZXKLOSA-N 1 2 242.269 2.684 20 0 BFADLO C[C@@H]1CC[N@H+](CCc2ccncc2)CC1(F)F ZINC000335871567 355637893 /nfs/dbraw/zinc/63/78/93/355637893.db2.gz DMNRUGFBVPOUNJ-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1CC[N@@H+](CCc2ccncc2)CC1(F)F ZINC000335871567 355637895 /nfs/dbraw/zinc/63/78/95/355637895.db2.gz DMNRUGFBVPOUNJ-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO Cc1ccc(NC(=O)c2cnccc2C)c(C)[nH+]1 ZINC000335894119 355688575 /nfs/dbraw/zinc/68/85/75/355688575.db2.gz SQPRXBRKHVZWTG-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1ccc(CC2C[NH+](Cc3ccon3)C2)cc1 ZINC000639319489 355719890 /nfs/dbraw/zinc/71/98/90/355719890.db2.gz YCJCIMKGFOCGIU-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO Cc1cccc(C[N@@H+]2Cc3cnn(C)c3C2)c1C ZINC000639326385 355726409 /nfs/dbraw/zinc/72/64/09/355726409.db2.gz ZTSIJEQYZCHBPU-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cccc(C[N@H+]2Cc3cnn(C)c3C2)c1C ZINC000639326385 355726411 /nfs/dbraw/zinc/72/64/11/355726411.db2.gz ZTSIJEQYZCHBPU-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cnc(C[NH+]2CC(C)(c3ccccc3)C2)o1 ZINC000639338480 355778822 /nfs/dbraw/zinc/77/88/22/355778822.db2.gz KNAOWBQPYCYQIC-UHFFFAOYSA-N 1 2 242.322 2.757 20 0 BFADLO c1nc(C[NH+]2CC(c3ccccc3)C2)cs1 ZINC000639361563 355815187 /nfs/dbraw/zinc/81/51/87/355815187.db2.gz HYMVGGUGWDFGGW-UHFFFAOYSA-N 1 2 230.336 2.743 20 0 BFADLO CCc1cccc(Cl)c1C[NH2+]Cc1ncc[nH]1 ZINC000639373048 355876908 /nfs/dbraw/zinc/87/69/08/355876908.db2.gz UGAAEGSQCSGWJL-UHFFFAOYSA-N 1 2 249.745 2.915 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cnc(C)s2)o1 ZINC000639383194 355935872 /nfs/dbraw/zinc/93/58/72/355935872.db2.gz UJRZNOVVPIMPBL-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc(NC(=O)N2[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000336050671 134064524 /nfs/dbraw/zinc/06/45/24/134064524.db2.gz RMQBHIWXRRBNGK-AOOOYVTPSA-N 1 2 233.315 2.713 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ccon2)ccc1F ZINC000351591049 356024639 /nfs/dbraw/zinc/02/46/39/356024639.db2.gz AWKVLVNNMPSVQI-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CCc1cnc(C[NH+]2CC(C)(C)C2)s1 ZINC000639393141 356066270 /nfs/dbraw/zinc/06/62/70/356066270.db2.gz GQRKJDMZHMFIGI-UHFFFAOYSA-N 1 2 210.346 2.547 20 0 BFADLO CC1(C)C[NH+](Cc2ccncc2Cl)C1 ZINC000639393889 356075839 /nfs/dbraw/zinc/07/58/39/356075839.db2.gz WMBXOWBZNMBYSD-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000335917540 356159317 /nfs/dbraw/zinc/15/93/17/356159317.db2.gz RZRRVBRJDVZHMH-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000335917540 356159320 /nfs/dbraw/zinc/15/93/20/356159320.db2.gz RZRRVBRJDVZHMH-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@H]1C[C@H](C)[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918996 356166303 /nfs/dbraw/zinc/16/63/03/356166303.db2.gz QMHGKPLYLOEJJK-UWVGGRQHSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@H]1C[C@H](C)[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918996 356166307 /nfs/dbraw/zinc/16/63/07/356166307.db2.gz QMHGKPLYLOEJJK-UWVGGRQHSA-N 1 2 237.347 2.597 20 0 BFADLO CC(=O)C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000639438599 356215108 /nfs/dbraw/zinc/21/51/08/356215108.db2.gz RTNIEDVBEFJACS-SECBINFHSA-N 1 2 227.254 2.547 20 0 BFADLO CC(=O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000639438599 356215111 /nfs/dbraw/zinc/21/51/11/356215111.db2.gz RTNIEDVBEFJACS-SECBINFHSA-N 1 2 227.254 2.547 20 0 BFADLO CC1(C)C[NH+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000639405042 356200308 /nfs/dbraw/zinc/20/03/08/356200308.db2.gz LPIVNZJXAJEEBN-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO CCC(F)(F)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000639482489 356295285 /nfs/dbraw/zinc/29/52/85/356295285.db2.gz LNUJDOGGUMLKDL-GFCCVEGCSA-N 1 2 243.297 2.529 20 0 BFADLO CC[C@H]1C[N@H+](CC(F)(F)CC)CCS1 ZINC000639507430 356335052 /nfs/dbraw/zinc/33/50/52/356335052.db2.gz ZIVGABXZMCVXFB-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CC[C@H]1C[N@@H+](CC(F)(F)CC)CCS1 ZINC000639507430 356335053 /nfs/dbraw/zinc/33/50/53/356335053.db2.gz ZIVGABXZMCVXFB-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CC(=O)C[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000639518768 356362584 /nfs/dbraw/zinc/36/25/84/356362584.db2.gz BLZUMGFTXISONR-SNVBAGLBSA-N 1 2 248.351 2.878 20 0 BFADLO CC(=O)C[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000639518768 356362585 /nfs/dbraw/zinc/36/25/85/356362585.db2.gz BLZUMGFTXISONR-SNVBAGLBSA-N 1 2 248.351 2.878 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C)c[nH+]1 ZINC000547540610 356366134 /nfs/dbraw/zinc/36/61/34/356366134.db2.gz AGUDOUBLWDGPDI-SWLSCSKDSA-N 1 2 246.354 2.741 20 0 BFADLO CCCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336144834 134101636 /nfs/dbraw/zinc/10/16/36/134101636.db2.gz VNTHYBOZFLURFS-UHFFFAOYSA-N 1 2 235.331 2.881 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000336145444 134102204 /nfs/dbraw/zinc/10/22/04/134102204.db2.gz ZZYVXCQICUZXFU-SECBINFHSA-N 1 2 247.342 2.881 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000336147320 134102817 /nfs/dbraw/zinc/10/28/17/134102817.db2.gz SHOXITLNTQKYMZ-RDDDGLTNSA-N 1 2 233.315 2.537 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000336156774 134106042 /nfs/dbraw/zinc/10/60/42/134106042.db2.gz YOQBUQNOIALFNJ-UHFFFAOYSA-N 1 2 247.273 2.729 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000336156774 134106043 /nfs/dbraw/zinc/10/60/43/134106043.db2.gz YOQBUQNOIALFNJ-UHFFFAOYSA-N 1 2 247.273 2.729 20 0 BFADLO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)C1 ZINC000639556782 356461251 /nfs/dbraw/zinc/46/12/51/356461251.db2.gz ZYKHZMISHFIVGC-ZJUUUORDSA-N 1 2 233.302 2.531 20 0 BFADLO CC1(C)CO[C@@H](C[N@H+]2CCC[C@H]2C(F)F)C1 ZINC000639556782 356461254 /nfs/dbraw/zinc/46/12/54/356461254.db2.gz ZYKHZMISHFIVGC-ZJUUUORDSA-N 1 2 233.302 2.531 20 0 BFADLO CCCCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420771832 192259542 /nfs/dbraw/zinc/25/95/42/192259542.db2.gz MLVGHFXIJUROCT-UHFFFAOYSA-N 1 2 249.358 2.688 20 0 BFADLO CC[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000420655111 192256586 /nfs/dbraw/zinc/25/65/86/192256586.db2.gz RDBVUPUQBBEQBU-VIFPVBQESA-N 1 2 219.332 2.542 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@@H+]1CCCC2(CC2)C1 ZINC000639590540 356512717 /nfs/dbraw/zinc/51/27/17/356512717.db2.gz XPSMYQOGYSTEHM-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@H+]1CCCC2(CC2)C1 ZINC000639590540 356512720 /nfs/dbraw/zinc/51/27/20/356512720.db2.gz XPSMYQOGYSTEHM-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](O)C1)c1cccc(C)c1 ZINC000420942499 192288218 /nfs/dbraw/zinc/28/82/18/192288218.db2.gz VRJNKRQBKBMNEM-XBXGTLAGSA-N 1 2 219.328 2.592 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](O)C1)c1cccc(C)c1 ZINC000420942499 192288221 /nfs/dbraw/zinc/28/82/21/192288221.db2.gz VRJNKRQBKBMNEM-XBXGTLAGSA-N 1 2 219.328 2.592 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](O)C1)c1cc(C)ccc1C ZINC000420943042 192289175 /nfs/dbraw/zinc/28/91/75/192289175.db2.gz WELJKTOAYBHBGF-OKILXGFUSA-N 1 2 233.355 2.901 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](O)C1)c1cc(C)ccc1C ZINC000420943042 192289176 /nfs/dbraw/zinc/28/91/76/192289176.db2.gz WELJKTOAYBHBGF-OKILXGFUSA-N 1 2 233.355 2.901 20 0 BFADLO CC[C@@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000421125529 192313602 /nfs/dbraw/zinc/31/36/02/192313602.db2.gz SDJHSZDIWOHBAH-SNVBAGLBSA-N 1 2 246.314 2.502 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000639644928 356559119 /nfs/dbraw/zinc/55/91/19/356559119.db2.gz AUIACBCZYPUBEL-LBPRGKRZSA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000639644928 356559124 /nfs/dbraw/zinc/55/91/24/356559124.db2.gz AUIACBCZYPUBEL-LBPRGKRZSA-N 1 2 240.297 2.916 20 0 BFADLO Clc1ccsc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421029691 192308598 /nfs/dbraw/zinc/30/85/98/192308598.db2.gz XRGJWTUIFUHIBH-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1ccsc1C[N@H+]1CC[C@]12CCOC2 ZINC000421029691 192308600 /nfs/dbraw/zinc/30/86/00/192308600.db2.gz XRGJWTUIFUHIBH-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO CCC(F)(F)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000639650495 356562106 /nfs/dbraw/zinc/56/21/06/356562106.db2.gz IVSIOZDRKHWRFF-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000639650495 356562110 /nfs/dbraw/zinc/56/21/10/356562110.db2.gz IVSIOZDRKHWRFF-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421333272 192318608 /nfs/dbraw/zinc/31/86/08/192318608.db2.gz WYHQZJBGCQBSOY-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421333272 192318610 /nfs/dbraw/zinc/31/86/10/192318610.db2.gz WYHQZJBGCQBSOY-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)[C@@H]2CC2(C)C)nn1C ZINC000421348840 192319684 /nfs/dbraw/zinc/31/96/84/192319684.db2.gz BUXMNKHGXCTIMR-SNVBAGLBSA-N 1 2 241.766 2.612 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)[C@@H]2CC2(C)C)nn1C ZINC000421348840 192319685 /nfs/dbraw/zinc/31/96/85/192319685.db2.gz BUXMNKHGXCTIMR-SNVBAGLBSA-N 1 2 241.766 2.612 20 0 BFADLO CC(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000639656825 356572724 /nfs/dbraw/zinc/57/27/24/356572724.db2.gz ZFQDELADKBDLCO-LBPRGKRZSA-N 1 2 237.730 2.718 20 0 BFADLO CC(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000639656825 356572726 /nfs/dbraw/zinc/57/27/26/356572726.db2.gz ZFQDELADKBDLCO-LBPRGKRZSA-N 1 2 237.730 2.718 20 0 BFADLO CCC[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080945782 491096874 /nfs/dbraw/zinc/09/68/74/491096874.db2.gz WNOHFMJCBQUXAT-QMMMGPOBSA-N 1 2 218.304 2.867 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000450023441 202067777 /nfs/dbraw/zinc/06/77/77/202067777.db2.gz FGNKRQQZFKJAQG-NWDGAFQWSA-N 1 2 249.358 2.551 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000450023443 202067780 /nfs/dbraw/zinc/06/77/80/202067780.db2.gz FGNKRQQZFKJAQG-VXGBXAGGSA-N 1 2 249.358 2.551 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000639723230 356619937 /nfs/dbraw/zinc/61/99/37/356619937.db2.gz CZBGJHVPJWBLIW-MRVPVSSYSA-N 1 2 225.229 2.763 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000639723230 356619939 /nfs/dbraw/zinc/61/99/39/356619939.db2.gz CZBGJHVPJWBLIW-MRVPVSSYSA-N 1 2 225.229 2.763 20 0 BFADLO CCC(CC)[C@@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000179792484 366308164 /nfs/dbraw/zinc/30/81/64/366308164.db2.gz ABQIIAPDHNOLLQ-OAHLLOKOSA-N 1 2 249.354 2.927 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179814365 366312641 /nfs/dbraw/zinc/31/26/41/366312641.db2.gz SRQLVKOABIOBCE-JTQLQIEISA-N 1 2 221.304 2.652 20 0 BFADLO C[N@H+](CC(=O)OC(C)(C)C)CC1=CCCCC1 ZINC000450330555 202130745 /nfs/dbraw/zinc/13/07/45/202130745.db2.gz JJOXFRUMUFRLCR-UHFFFAOYSA-N 1 2 239.359 2.760 20 0 BFADLO C[N@@H+](CC(=O)OC(C)(C)C)CC1=CCCCC1 ZINC000450330555 202130747 /nfs/dbraw/zinc/13/07/47/202130747.db2.gz JJOXFRUMUFRLCR-UHFFFAOYSA-N 1 2 239.359 2.760 20 0 BFADLO C[N@H+](Cc1nnc(C2CC2)s1)CC(C)(C)C ZINC000450339505 202133019 /nfs/dbraw/zinc/13/30/19/202133019.db2.gz AROTWGKAACXRMN-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO C[N@@H+](Cc1nnc(C2CC2)s1)CC(C)(C)C ZINC000450339505 202133024 /nfs/dbraw/zinc/13/30/24/202133024.db2.gz AROTWGKAACXRMN-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO Cc1ccccc1[C@@H](C)c1noc(C[NH+](C)C)n1 ZINC000350650050 366316252 /nfs/dbraw/zinc/31/62/52/366316252.db2.gz KHJAFGJRJGOYQF-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO COCc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389481069 356687596 /nfs/dbraw/zinc/68/75/96/356687596.db2.gz GEAOUNQTTHNHRJ-SNVBAGLBSA-N 1 2 243.297 2.966 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccncc1 ZINC000389482908 356689078 /nfs/dbraw/zinc/68/90/78/356689078.db2.gz XRMIJYWLHHWRHI-BDAKNGLRSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H]([NH2+]Cc1cc(O)cc(F)c1)C(C)(F)F ZINC000389488373 356691717 /nfs/dbraw/zinc/69/17/17/356691717.db2.gz OTURKVRSLWORDI-ZETCQYMHSA-N 1 2 233.233 2.665 20 0 BFADLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000054172074 363564208 /nfs/dbraw/zinc/56/42/08/363564208.db2.gz OHVJFJQXDAGIMR-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000054172074 363564213 /nfs/dbraw/zinc/56/42/13/363564213.db2.gz OHVJFJQXDAGIMR-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776499 356718062 /nfs/dbraw/zinc/71/80/62/356718062.db2.gz MXNSFDCECVJIOR-SNVBAGLBSA-N 1 2 229.274 2.592 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776499 356718064 /nfs/dbraw/zinc/71/80/64/356718064.db2.gz MXNSFDCECVJIOR-SNVBAGLBSA-N 1 2 229.274 2.592 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778769 356722598 /nfs/dbraw/zinc/72/25/98/356722598.db2.gz TZXVDWRYMFQWRB-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)n1 ZINC000639778769 356722599 /nfs/dbraw/zinc/72/25/99/356722599.db2.gz TZXVDWRYMFQWRB-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CCOC(=O)C[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000180095896 366374851 /nfs/dbraw/zinc/37/48/51/366374851.db2.gz SPYJGVAMYNKWAJ-UHFFFAOYSA-N 1 2 249.354 2.637 20 0 BFADLO CC(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000639798966 356760049 /nfs/dbraw/zinc/76/00/49/356760049.db2.gz SVPLIBCFHLIQAM-ZDUSSCGKSA-N 1 2 233.311 2.786 20 0 BFADLO CC(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000639798966 356760052 /nfs/dbraw/zinc/76/00/52/356760052.db2.gz SVPLIBCFHLIQAM-ZDUSSCGKSA-N 1 2 233.311 2.786 20 0 BFADLO C[C@H](O)CC[N@@H+]1CCCCCc2ccccc21 ZINC000450566693 202199189 /nfs/dbraw/zinc/19/91/89/202199189.db2.gz PXGCRMXGZYOMPR-ZDUSSCGKSA-N 1 2 233.355 2.990 20 0 BFADLO C[C@H](O)CC[N@H+]1CCCCCc2ccccc21 ZINC000450566693 202199192 /nfs/dbraw/zinc/19/91/92/202199192.db2.gz PXGCRMXGZYOMPR-ZDUSSCGKSA-N 1 2 233.355 2.990 20 0 BFADLO C[C@@H](Nc1cnn(C(C)(C)C)c1)c1[nH]cc[nH+]1 ZINC000353665944 538755144 /nfs/dbraw/zinc/75/51/44/538755144.db2.gz MOGHSZIOGZUFPW-SECBINFHSA-N 1 2 233.319 2.534 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)O1 ZINC000423218949 192631886 /nfs/dbraw/zinc/63/18/86/192631886.db2.gz SPYXMZAYSMBXMF-GPCCPHFNSA-N 1 2 232.327 2.632 20 0 BFADLO c1cc(C[NH2+][C@H]2CSc3ccccc32)no1 ZINC000156609128 538791816 /nfs/dbraw/zinc/79/18/16/538791816.db2.gz GRKGSOVPZUZUIH-NSHDSACASA-N 1 2 232.308 2.611 20 0 BFADLO CC(C)CC[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607325 357076013 /nfs/dbraw/zinc/07/60/13/357076013.db2.gz LSGBEKZVSMNDTN-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)CC[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607325 357076017 /nfs/dbraw/zinc/07/60/17/357076017.db2.gz LSGBEKZVSMNDTN-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)cc1 ZINC000390752180 357115215 /nfs/dbraw/zinc/11/52/15/357115215.db2.gz DPWOCUUTTUNLQE-UPHRSURJSA-N 1 2 217.247 2.674 20 0 BFADLO c1[nH]cc(N[C@@H]2CCC[C@@H](C3CC3)C2)[nH+]1 ZINC000393621722 357290614 /nfs/dbraw/zinc/29/06/14/357290614.db2.gz IPXOAAQLALXOKD-GHMZBOCLSA-N 1 2 205.305 2.790 20 0 BFADLO c1[nH]cc(N[C@@H]2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000393621725 357290632 /nfs/dbraw/zinc/29/06/32/357290632.db2.gz IPXOAAQLALXOKD-WDEREUQCSA-N 1 2 205.305 2.790 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)CC2CCC2)cc[nH+]1 ZINC000639901646 357302218 /nfs/dbraw/zinc/30/22/18/357302218.db2.gz ZBUIQRZVXPPMJT-NSHDSACASA-N 1 2 247.342 2.512 20 0 BFADLO c1oc2ccccc2c1C[NH+]1CC2(C1)CCCO2 ZINC000628427074 357255808 /nfs/dbraw/zinc/25/58/08/357255808.db2.gz DWFYMHXIYYBQSK-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)CC(C)(C)C)[nH+]1 ZINC000583698889 357272913 /nfs/dbraw/zinc/27/29/13/357272913.db2.gz SPYQCKXPHKWYIM-UHFFFAOYSA-N 1 2 237.347 2.506 20 0 BFADLO COc1ccsc1C[NH2+]CC(C)(F)F ZINC000393291198 357280889 /nfs/dbraw/zinc/28/08/89/357280889.db2.gz YAPDIPJTCFKXOV-UHFFFAOYSA-N 1 2 221.272 2.502 20 0 BFADLO CCCc1nc(C[N@H+](C)C2CCCCC2)no1 ZINC000054982748 363582198 /nfs/dbraw/zinc/58/21/98/363582198.db2.gz UUZJVDCQQPYRED-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@@H+](C)C2CCCCC2)no1 ZINC000054982748 363582204 /nfs/dbraw/zinc/58/22/04/363582204.db2.gz UUZJVDCQQPYRED-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582908070 357433413 /nfs/dbraw/zinc/43/34/13/357433413.db2.gz RQPYEHCJEHWSJW-RWMBFGLXSA-N 1 2 249.358 2.624 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000582908068 357433570 /nfs/dbraw/zinc/43/35/70/357433570.db2.gz RQPYEHCJEHWSJW-FRRDWIJNSA-N 1 2 249.358 2.624 20 0 BFADLO CCCc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000054982802 363583514 /nfs/dbraw/zinc/58/35/14/363583514.db2.gz DUUXPKYETNYPDN-QWRGUYRKSA-N 1 2 237.347 2.500 20 0 BFADLO CC[C@H](C)CN(CC)c1nc[nH+]c(N)c1Cl ZINC000234030333 357768015 /nfs/dbraw/zinc/76/80/15/357768015.db2.gz BVOPJVPHBDGWQV-QMMMGPOBSA-N 1 2 242.754 2.585 20 0 BFADLO CC[C@H](C)CN(CC)c1[nH+]cnc(N)c1Cl ZINC000234030333 357768019 /nfs/dbraw/zinc/76/80/19/357768019.db2.gz BVOPJVPHBDGWQV-QMMMGPOBSA-N 1 2 242.754 2.585 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1ncccn1 ZINC000191892766 357803315 /nfs/dbraw/zinc/80/33/15/357803315.db2.gz HYUQYZQWNUZRIW-GFCCVEGCSA-N 1 2 227.311 2.670 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1ncccn1 ZINC000191892766 357803319 /nfs/dbraw/zinc/80/33/19/357803319.db2.gz HYUQYZQWNUZRIW-GFCCVEGCSA-N 1 2 227.311 2.670 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1ncccn1 ZINC000191892754 357803439 /nfs/dbraw/zinc/80/34/39/357803439.db2.gz HYUQYZQWNUZRIW-LBPRGKRZSA-N 1 2 227.311 2.670 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ncccn1 ZINC000191892754 357803444 /nfs/dbraw/zinc/80/34/44/357803444.db2.gz HYUQYZQWNUZRIW-LBPRGKRZSA-N 1 2 227.311 2.670 20 0 BFADLO c1ccc(C2([NH2+]Cc3ncccn3)CCC2)cc1 ZINC000192081709 357816750 /nfs/dbraw/zinc/81/67/50/357816750.db2.gz ACOLMSXAPQJOJA-UHFFFAOYSA-N 1 2 239.322 2.646 20 0 BFADLO CCCN(c1[nH+]c2ccccc2n1C)C1CC1 ZINC000192770749 357851018 /nfs/dbraw/zinc/85/10/18/357851018.db2.gz USKPOZJNWSJAEC-UHFFFAOYSA-N 1 2 229.327 2.952 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1F ZINC000085182992 134225213 /nfs/dbraw/zinc/22/52/13/134225213.db2.gz AWKLLVWDIRHRQO-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1F ZINC000085168074 134224697 /nfs/dbraw/zinc/22/46/97/134224697.db2.gz BCQLUGAIKQUHES-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCCC(F)(F)F ZINC000639970158 358022927 /nfs/dbraw/zinc/02/29/27/358022927.db2.gz CYHSFWGJHJBZDE-UHFFFAOYSA-N 1 2 249.280 2.883 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCCC(F)(F)F ZINC000639970158 358022929 /nfs/dbraw/zinc/02/29/29/358022929.db2.gz CYHSFWGJHJBZDE-UHFFFAOYSA-N 1 2 249.280 2.883 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccc(C)cc1 ZINC000639971659 358030163 /nfs/dbraw/zinc/03/01/63/358030163.db2.gz UDTBKHQWIXRGSA-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccc(C)cc1 ZINC000639971659 358030167 /nfs/dbraw/zinc/03/01/67/358030167.db2.gz UDTBKHQWIXRGSA-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO CC/C=C/CC[N@H+](C)Cc1cn[nH]c1C ZINC000639971899 358031758 /nfs/dbraw/zinc/03/17/58/358031758.db2.gz ZRELRBBARRVJBH-AATRIKPKSA-N 1 2 207.321 2.506 20 0 BFADLO CC/C=C/CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639971899 358031761 /nfs/dbraw/zinc/03/17/61/358031761.db2.gz ZRELRBBARRVJBH-AATRIKPKSA-N 1 2 207.321 2.506 20 0 BFADLO C[C@@H](c1noc(Cc2c[nH+]cn2C)n1)C(C)(C)C ZINC000350415988 358066654 /nfs/dbraw/zinc/06/66/54/358066654.db2.gz GQCLZFAEMSXPJZ-VIFPVBQESA-N 1 2 248.330 2.544 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@@H]2CC23CC3)no1 ZINC000351313029 358171416 /nfs/dbraw/zinc/17/14/16/358171416.db2.gz OVEVUGZHIIYHEQ-NSHDSACASA-N 1 2 241.294 2.631 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1ccccc1C1CC1 ZINC000094518790 358176693 /nfs/dbraw/zinc/17/66/93/358176693.db2.gz GOKNTKMVOISFSD-UHFFFAOYSA-N 1 2 247.338 2.605 20 0 BFADLO COCc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000180192210 366392363 /nfs/dbraw/zinc/39/23/63/366392363.db2.gz HJFZVHHRGYLPDP-UHFFFAOYSA-N 1 2 246.285 2.979 20 0 BFADLO CCc1ccnc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000180271880 366408463 /nfs/dbraw/zinc/40/84/63/366408463.db2.gz SUGPDLXMBXHKOZ-UHFFFAOYSA-N 1 2 241.294 2.600 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)no1 ZINC000044692229 358392470 /nfs/dbraw/zinc/39/24/70/358392470.db2.gz MPVRDKUCNZHBFF-NOZJJQNGSA-N 1 2 246.310 2.989 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000042229755 358519135 /nfs/dbraw/zinc/51/91/35/358519135.db2.gz NIYACAGOCOYGPA-DGCLKSJQSA-N 1 2 235.327 2.535 20 0 BFADLO CC[C@H](C)Cc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351224076 366453746 /nfs/dbraw/zinc/45/37/46/366453746.db2.gz CBGULABLSDMOOR-JTQLQIEISA-N 1 2 245.326 2.952 20 0 BFADLO CCC[N@H+](C/C=C\c1ccccc1)CC(=O)OC ZINC000219653672 134288639 /nfs/dbraw/zinc/28/86/39/134288639.db2.gz GHRGXEGTNOWOOI-YFHOEESVSA-N 1 2 247.338 2.585 20 0 BFADLO CCC[N@@H+](C/C=C\c1ccccc1)CC(=O)OC ZINC000219653672 134288640 /nfs/dbraw/zinc/28/86/40/134288640.db2.gz GHRGXEGTNOWOOI-YFHOEESVSA-N 1 2 247.338 2.585 20 0 BFADLO CCC[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000131458276 358676982 /nfs/dbraw/zinc/67/69/82/358676982.db2.gz VDSXSLJBZGVTQT-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CCC[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000131458276 358676985 /nfs/dbraw/zinc/67/69/85/358676985.db2.gz VDSXSLJBZGVTQT-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000049368329 358684552 /nfs/dbraw/zinc/68/45/52/358684552.db2.gz DECFHIAPUFKKQC-TZMCWYRMSA-N 1 2 249.354 2.987 20 0 BFADLO CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133254645 358749065 /nfs/dbraw/zinc/74/90/65/358749065.db2.gz GKGGCUCYOGXLAS-LBPRGKRZSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133254645 358749067 /nfs/dbraw/zinc/74/90/67/358749067.db2.gz GKGGCUCYOGXLAS-LBPRGKRZSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000133254645 358749070 /nfs/dbraw/zinc/74/90/70/358749070.db2.gz GKGGCUCYOGXLAS-LBPRGKRZSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000133254645 358749073 /nfs/dbraw/zinc/74/90/73/358749073.db2.gz GKGGCUCYOGXLAS-LBPRGKRZSA-N 1 2 242.326 2.629 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(F)ccc1F ZINC000051920771 358767751 /nfs/dbraw/zinc/76/77/51/358767751.db2.gz KRJXTQZTKGTFDU-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)CCC[C@@H](C)O)c1 ZINC000049988689 358707390 /nfs/dbraw/zinc/70/73/90/358707390.db2.gz XPRJQPDJPFFEPL-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cc(C)cc([N@H+](C)CCC[C@@H](C)O)c1 ZINC000049988689 358707393 /nfs/dbraw/zinc/70/73/93/358707393.db2.gz XPRJQPDJPFFEPL-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)CCC[C@H](C)O)c1 ZINC000049988690 358707758 /nfs/dbraw/zinc/70/77/58/358707758.db2.gz XPRJQPDJPFFEPL-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cc(C)cc([N@H+](C)CCC[C@H](C)O)c1 ZINC000049988690 358707761 /nfs/dbraw/zinc/70/77/61/358707761.db2.gz XPRJQPDJPFFEPL-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO Cn1cc[nH+]c1CNc1cnc2ccccc2c1 ZINC000051922096 358768362 /nfs/dbraw/zinc/76/83/62/358768362.db2.gz AMZFCXLIEFJFQX-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO COC(=O)CCC[N@H+](CC1CC1)c1ccccc1 ZINC000177176610 134296040 /nfs/dbraw/zinc/29/60/40/134296040.db2.gz APKUUONAMFRVFD-UHFFFAOYSA-N 1 2 247.338 2.856 20 0 BFADLO COC(=O)CCC[N@@H+](CC1CC1)c1ccccc1 ZINC000177176610 134296041 /nfs/dbraw/zinc/29/60/41/134296041.db2.gz APKUUONAMFRVFD-UHFFFAOYSA-N 1 2 247.338 2.856 20 0 BFADLO CCCC1(c2noc(Cn3cc[nH+]c3)n2)CCC1 ZINC000351354065 366514434 /nfs/dbraw/zinc/51/44/34/366514434.db2.gz FQXPRUZEJOTPJP-UHFFFAOYSA-N 1 2 246.314 2.536 20 0 BFADLO Cc1cc(NCC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000057824935 358906926 /nfs/dbraw/zinc/90/69/26/358906926.db2.gz GBRGBTZSYDUPRD-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO CCC(CC)c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351434216 366526421 /nfs/dbraw/zinc/52/64/21/366526421.db2.gz IMSWABKGEDAEBL-SNVBAGLBSA-N 1 2 248.330 2.973 20 0 BFADLO Clc1ccc(C2([NH2+]Cc3ncc[nH]3)CC2)cc1 ZINC000069878524 359035693 /nfs/dbraw/zinc/03/56/93/359035693.db2.gz ZZOYIOFJJCERLE-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1nccn1C ZINC000070443327 359052923 /nfs/dbraw/zinc/05/29/23/359052923.db2.gz GXCVVEOMCKEZHM-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1cnccn1 ZINC000070477260 359056422 /nfs/dbraw/zinc/05/64/22/359056422.db2.gz ZVNRYPMODRNMBR-JTQLQIEISA-N 1 2 247.729 2.981 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000246663025 359155515 /nfs/dbraw/zinc/15/55/15/359155515.db2.gz CJWLTTRVGPFPPH-QWRGUYRKSA-N 1 2 219.332 2.835 20 0 BFADLO C[C@H]1C[N@H+](Cc2nccn2C)[C@H]1c1ccccc1 ZINC000248345590 359268354 /nfs/dbraw/zinc/26/83/54/359268354.db2.gz MYDILECQDAXNGG-SWLSCSKDSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nccn2C)[C@H]1c1ccccc1 ZINC000248345590 359268360 /nfs/dbraw/zinc/26/83/60/359268360.db2.gz MYDILECQDAXNGG-SWLSCSKDSA-N 1 2 241.338 2.613 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000612227846 359740933 /nfs/dbraw/zinc/74/09/33/359740933.db2.gz YJWPKMMEAUHBFX-GDNZZTSVSA-N 1 2 230.311 2.683 20 0 BFADLO FC1(F)CCCC[C@@H]1COCc1[nH]cc[nH+]1 ZINC000450897890 202304155 /nfs/dbraw/zinc/30/41/55/202304155.db2.gz QKEGHBGISGNENI-SECBINFHSA-N 1 2 230.258 2.752 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H](O)C2CCC2)c1Cl ZINC000450918508 202310978 /nfs/dbraw/zinc/31/09/78/202310978.db2.gz JNKQMRBBPWJBHJ-SNVBAGLBSA-N 1 2 240.734 2.616 20 0 BFADLO COC[C@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000450947718 202316084 /nfs/dbraw/zinc/31/60/84/202316084.db2.gz ZKSWUPKORCPGFG-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO c1cn(CCCSCc2cccnc2)c[nH+]1 ZINC000451048137 202338780 /nfs/dbraw/zinc/33/87/80/202338780.db2.gz JVRAVBWIDZSSCG-UHFFFAOYSA-N 1 2 233.340 2.602 20 0 BFADLO C[C@@H](O)CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000451059334 202339624 /nfs/dbraw/zinc/33/96/24/202339624.db2.gz COABNPJDJVASDN-PWSUYJOCSA-N 1 2 243.297 2.743 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(F)F ZINC000451173939 202369417 /nfs/dbraw/zinc/36/94/17/202369417.db2.gz BZHYIBSBBVMMAE-OIBJUYFYSA-N 1 2 232.249 2.915 20 0 BFADLO OC1(Cn2cc[nH+]c2-c2ccccc2)CCCC1 ZINC000087463997 359913031 /nfs/dbraw/zinc/91/30/31/359913031.db2.gz RPPXCHJEZZZORY-UHFFFAOYSA-N 1 2 242.322 2.855 20 0 BFADLO CC[C@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000578668931 366624637 /nfs/dbraw/zinc/62/46/37/366624637.db2.gz VBVSSSCFLJIHPW-CYBMUJFWSA-N 1 2 219.332 2.720 20 0 BFADLO Fc1cc2cccnc2c(CNc2c[nH]c[nH+]2)c1 ZINC000578704736 366628245 /nfs/dbraw/zinc/62/82/45/366628245.db2.gz PSKKNRPQRFDTQP-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000309166668 491146053 /nfs/dbraw/zinc/14/60/53/491146053.db2.gz JHCHFYRDGNALJP-DGCLKSJQSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1ccoc1C[NH2+][C@H]1CCCC1(F)F ZINC000309223297 491146328 /nfs/dbraw/zinc/14/63/28/491146328.db2.gz VNULXTJEGQBAEN-JTQLQIEISA-N 1 2 215.243 2.865 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000091980148 360139635 /nfs/dbraw/zinc/13/96/35/360139635.db2.gz JYJARASIJZKEHH-CYBMUJFWSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000091980148 360139639 /nfs/dbraw/zinc/13/96/39/360139639.db2.gz JYJARASIJZKEHH-CYBMUJFWSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000092017127 360145598 /nfs/dbraw/zinc/14/55/98/360145598.db2.gz HOIPEJSXYMFQRS-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000092017127 360145601 /nfs/dbraw/zinc/14/56/01/360145601.db2.gz HOIPEJSXYMFQRS-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1[nH+]cccc1NCc1cnn2ccccc12 ZINC000091495671 360117585 /nfs/dbraw/zinc/11/75/85/360117585.db2.gz NDTDLZKGXGIYIF-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000093417672 360241169 /nfs/dbraw/zinc/24/11/69/360241169.db2.gz FLHXTPPMEXGPOQ-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000093417672 360241173 /nfs/dbraw/zinc/24/11/73/360241173.db2.gz FLHXTPPMEXGPOQ-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093417703 360241787 /nfs/dbraw/zinc/24/17/87/360241787.db2.gz NDUVBHCQCAOSTD-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093417703 360241788 /nfs/dbraw/zinc/24/17/88/360241788.db2.gz NDUVBHCQCAOSTD-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1cc2ccccc2o1 ZINC000093689179 360272227 /nfs/dbraw/zinc/27/22/27/360272227.db2.gz NFKUTNMGZAFFGP-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1cc2ccccc2o1 ZINC000093689179 360272231 /nfs/dbraw/zinc/27/22/31/360272231.db2.gz NFKUTNMGZAFFGP-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000096593279 360350198 /nfs/dbraw/zinc/35/01/98/360350198.db2.gz HBENKOFQGMLWKP-OLZOCXBDSA-N 1 2 249.354 2.906 20 0 BFADLO CCCc1nc(C[NH+](CCC)CCC)no1 ZINC000097259060 360366567 /nfs/dbraw/zinc/36/65/67/360366567.db2.gz ILECUWIFQTZFAH-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CS[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097293846 360369258 /nfs/dbraw/zinc/36/92/58/360369258.db2.gz ISVUBYYJZRGMJC-JTQLQIEISA-N 1 2 238.356 2.697 20 0 BFADLO Brc1sccc1C[NH+]1CCC1 ZINC000306521601 360359323 /nfs/dbraw/zinc/35/93/23/360359323.db2.gz NMNRLDLDFABEGV-UHFFFAOYSA-N 1 2 232.146 2.716 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cccnc1 ZINC000309580849 491152112 /nfs/dbraw/zinc/15/21/12/491152112.db2.gz QIASQVQNASYXOO-GXSJLCMTSA-N 1 2 226.270 2.920 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000064247731 360912112 /nfs/dbraw/zinc/91/21/12/360912112.db2.gz FUNCJNOOGVXAPC-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000064247731 360912117 /nfs/dbraw/zinc/91/21/17/360912117.db2.gz FUNCJNOOGVXAPC-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO C[C@@H]1C[C@H]1COc1ccccc1-n1cc[nH+]c1 ZINC000629357776 361002525 /nfs/dbraw/zinc/00/25/25/361002525.db2.gz BPUPWRROSWLLAH-NEPJUHHUSA-N 1 2 228.295 2.907 20 0 BFADLO Cc1[nH+]c2cc(OC[C@@H]3C[C@H]3C)ccc2n1C ZINC000629370079 361016621 /nfs/dbraw/zinc/01/66/21/361016621.db2.gz WEAZTLGYEORWAB-KOLCDFICSA-N 1 2 230.311 2.917 20 0 BFADLO CCc1nc(C[N@H+](C)C[C@@H](C)C(C)(C)C)no1 ZINC000640349288 361071854 /nfs/dbraw/zinc/07/18/54/361071854.db2.gz ALZUFWSEFHEEQT-SNVBAGLBSA-N 1 2 239.363 2.746 20 0 BFADLO CCc1nc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)no1 ZINC000640349288 361071861 /nfs/dbraw/zinc/07/18/61/361071861.db2.gz ALZUFWSEFHEEQT-SNVBAGLBSA-N 1 2 239.363 2.746 20 0 BFADLO C/C=C\C[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631210551 361081408 /nfs/dbraw/zinc/08/14/08/361081408.db2.gz IZOHARMBBIUPSU-AGLBCWCQSA-N 1 2 249.358 2.558 20 0 BFADLO C/C=C/C[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631210561 361082622 /nfs/dbraw/zinc/08/26/22/361082622.db2.gz IZOHARMBBIUPSU-DIECRNLCSA-N 1 2 249.358 2.558 20 0 BFADLO CC(C)(NC(=O)CC1(C)CCCC1)c1[nH]cc[nH+]1 ZINC000578995614 366689423 /nfs/dbraw/zinc/68/94/23/366689423.db2.gz PRKSFBORTRZJQT-UHFFFAOYSA-N 1 2 249.358 2.731 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000171054739 361290172 /nfs/dbraw/zinc/29/01/72/361290172.db2.gz OTXKJRHQEVQLBN-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000171054739 361290178 /nfs/dbraw/zinc/29/01/78/361290178.db2.gz OTXKJRHQEVQLBN-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC12CCCC2 ZINC000575002490 361293318 /nfs/dbraw/zinc/29/33/18/361293318.db2.gz MCPBGKBLVQHBDI-LLVKDONJSA-N 1 2 217.316 2.838 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)o1 ZINC000428354292 201011789 /nfs/dbraw/zinc/01/17/89/201011789.db2.gz YGKQSLHSHZYESD-SNVBAGLBSA-N 1 2 248.330 2.680 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1C ZINC000428450420 201018055 /nfs/dbraw/zinc/01/80/55/201018055.db2.gz ZUZXBQNUKWQGJX-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1C ZINC000428450420 201018057 /nfs/dbraw/zinc/01/80/57/201018057.db2.gz ZUZXBQNUKWQGJX-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CSc1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000309782554 491156466 /nfs/dbraw/zinc/15/64/66/491156466.db2.gz ROWMYDIANDREHB-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO Cc1cc(N[C@@H]2CC23CCCC3)nc(C2CC2)[nH+]1 ZINC000428677683 201033689 /nfs/dbraw/zinc/03/36/89/201033689.db2.gz SSPXWCXUOFXHSH-GFCCVEGCSA-N 1 2 243.354 2.829 20 0 BFADLO c1cc(N[C@H]2CC23CCCC3)nc(C2CC2)[nH+]1 ZINC000428669655 201034576 /nfs/dbraw/zinc/03/45/76/201034576.db2.gz QEKQONWDBXUHAH-NSHDSACASA-N 1 2 229.327 2.521 20 0 BFADLO COCC(C)(C)[N@H+](C)Cc1ncc(Cl)s1 ZINC000429226560 201080695 /nfs/dbraw/zinc/08/06/95/201080695.db2.gz LEPXRBUURANUER-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCC(C)(C)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000429226560 201080699 /nfs/dbraw/zinc/08/06/99/201080699.db2.gz LEPXRBUURANUER-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COc1ccc(N[C@H](C)c2cscn2)[nH+]c1 ZINC000309876428 491157774 /nfs/dbraw/zinc/15/77/74/491157774.db2.gz SUVFRAVTKQYXAI-MRVPVSSYSA-N 1 2 235.312 2.720 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000579361483 366770182 /nfs/dbraw/zinc/77/01/82/366770182.db2.gz VPFJXASSOQAKGE-AULYBMBSSA-N 1 2 246.354 2.831 20 0 BFADLO COc1ccccc1C[NH2+]C(C)(C)C(F)F ZINC000309891073 491157905 /nfs/dbraw/zinc/15/79/05/491157905.db2.gz CMMTXIMQHFFURR-UHFFFAOYSA-N 1 2 229.270 2.829 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429573022 201117161 /nfs/dbraw/zinc/11/71/61/201117161.db2.gz XGEBNSZJSBYGFX-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429573022 201117162 /nfs/dbraw/zinc/11/71/62/201117162.db2.gz XGEBNSZJSBYGFX-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO c1oc2ccccc2c1C[NH2+]Cc1csnn1 ZINC000353922465 366799104 /nfs/dbraw/zinc/79/91/04/366799104.db2.gz MBMSVRUMZROTGE-UHFFFAOYSA-N 1 2 245.307 2.574 20 0 BFADLO COc1ccc(N[C@@H](C)[C@H]2CC2(C)C)[nH+]c1 ZINC000309871069 491157777 /nfs/dbraw/zinc/15/77/77/491157777.db2.gz QPRRWVXWPKEQDR-GXSJLCMTSA-N 1 2 220.316 2.937 20 0 BFADLO C[NH2+]c1ccc(NCC[C@H]2CCOC2)cc1 ZINC000629655394 361560005 /nfs/dbraw/zinc/56/00/05/361560005.db2.gz KHWZMVJHZPEHPZ-NSHDSACASA-N 1 2 220.316 2.567 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2C(C)C)[nH+]1 ZINC000433778780 201194914 /nfs/dbraw/zinc/19/49/14/201194914.db2.gz BUZUTOIRIWGBJG-GFCCVEGCSA-N 1 2 244.342 2.891 20 0 BFADLO CCNc1ccc(-c2csc(C)c2)c[nH+]1 ZINC000629698900 361634057 /nfs/dbraw/zinc/63/40/57/361634057.db2.gz ARZUTJCIKFXEHP-UHFFFAOYSA-N 1 2 218.325 2.972 20 0 BFADLO COCCCNc1ccc(-c2cccs2)c[nH+]1 ZINC000629690923 361616472 /nfs/dbraw/zinc/61/64/72/361616472.db2.gz QYQIUNBMVLSAPB-UHFFFAOYSA-N 1 2 248.351 2.680 20 0 BFADLO CC(C)N(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000629691008 361617354 /nfs/dbraw/zinc/61/73/54/361617354.db2.gz PFZJAYVLZJVIAN-UHFFFAOYSA-N 1 2 227.311 2.988 20 0 BFADLO COc1ccc(-c2ccc(NC(C)C)[nH+]c2)cn1 ZINC000629694055 361621474 /nfs/dbraw/zinc/62/14/74/361621474.db2.gz FLMCHWIKNWFVRG-UHFFFAOYSA-N 1 2 243.310 2.973 20 0 BFADLO Cc1c(-c2ccc(NC(C)C)[nH+]c2)cnn1C ZINC000629730155 361668816 /nfs/dbraw/zinc/66/88/16/361668816.db2.gz BZWTYPBGGYYJOC-UHFFFAOYSA-N 1 2 230.315 2.611 20 0 BFADLO Cc1cc2cc(C[NH+]3CCOCC3)oc2cc1C ZINC000154494334 201281181 /nfs/dbraw/zinc/28/11/81/201281181.db2.gz ZJMVYOYLORFGJN-UHFFFAOYSA-N 1 2 245.322 2.882 20 0 BFADLO CCNc1ccc(-c2sccc2C)c[nH+]1 ZINC000629714870 361655586 /nfs/dbraw/zinc/65/55/86/361655586.db2.gz QCGRHEMZYQMNHW-UHFFFAOYSA-N 1 2 218.325 2.972 20 0 BFADLO c1cc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)co1 ZINC000629715072 361657248 /nfs/dbraw/zinc/65/72/48/361657248.db2.gz UDLABPPUWPKEEH-CYBMUJFWSA-N 1 2 244.294 2.933 20 0 BFADLO Cc1[nH+]cc(-c2ccc3c(c2)CCCO3)cc1N ZINC000629731593 361670782 /nfs/dbraw/zinc/67/07/82/361670782.db2.gz FNHTURJVKUHWBU-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO Cc1[nH]cc(-c2cccc3c2OCCCO3)[nH+]1 ZINC000629738387 361675216 /nfs/dbraw/zinc/67/52/16/361675216.db2.gz ASAQECHJJSFYIV-UHFFFAOYSA-N 1 2 230.267 2.546 20 0 BFADLO CC[C@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000618954551 363939601 /nfs/dbraw/zinc/93/96/01/363939601.db2.gz VZVXJSJOCAJPDJ-RISCZKNCSA-N 1 2 249.358 2.529 20 0 BFADLO O=C(C[NH+]1C2CCC1CC2)c1ccccc1F ZINC000398888375 363985127 /nfs/dbraw/zinc/98/51/27/363985127.db2.gz GYXMXXRNRNNSGB-UHFFFAOYSA-N 1 2 233.286 2.635 20 0 BFADLO Cc1cscc1N[C@H](C)c1[nH+]ccn1C ZINC000134326968 364399525 /nfs/dbraw/zinc/39/95/25/364399525.db2.gz NQUBQOATAXMHEG-SECBINFHSA-N 1 2 221.329 2.963 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccon2)ccc1Cl ZINC000134655215 541359620 /nfs/dbraw/zinc/35/96/20/541359620.db2.gz SDLCUSPLUJSAKI-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO c1csc(C[NH2+][C@H]2COCc3ccccc32)n1 ZINC000225994614 541361673 /nfs/dbraw/zinc/36/16/73/541361673.db2.gz KAAJSQGKPLJSED-LBPRGKRZSA-N 1 2 246.335 2.504 20 0 BFADLO Cc1ccc(CCCn2cc[nH+]c2)cc1 ZINC000182104349 366867631 /nfs/dbraw/zinc/86/76/31/366867631.db2.gz VHMDOBXCDHCZGU-UHFFFAOYSA-N 1 2 200.285 2.824 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccco2)on1 ZINC000168172009 364872294 /nfs/dbraw/zinc/87/22/94/364872294.db2.gz LDLDDXGGXOUGQM-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO COc1ccc[nH+]c1NCc1ccc(F)cc1 ZINC000169025782 365059535 /nfs/dbraw/zinc/05/95/35/365059535.db2.gz HUYGDZITKNOXHF-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO c1n[nH]c([C@H]([NH2+][C@@H]2CC23CC3)C2CCCCC2)n1 ZINC000574444370 365063704 /nfs/dbraw/zinc/06/37/04/365063704.db2.gz PWXLDKHFONUUKP-VXGBXAGGSA-N 1 2 246.358 2.568 20 0 BFADLO Cn1c2c(cccc2F)[nH]c1=[NH+]CC1CCCC1 ZINC000443506255 193022481 /nfs/dbraw/zinc/02/24/81/193022481.db2.gz FECPTKBRBWGREH-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO C[C@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@@H]1C ZINC000443509180 193023319 /nfs/dbraw/zinc/02/33/19/193023319.db2.gz KKDDXQUJAGHMOV-UWVGGRQHSA-N 1 2 247.317 2.805 20 0 BFADLO C[C@H]1CCCN1c1[nH+]c2cccc(F)c2n1C ZINC000443511648 193024000 /nfs/dbraw/zinc/02/40/00/193024000.db2.gz QQVHHAGZZSTMAD-VIFPVBQESA-N 1 2 233.290 2.701 20 0 BFADLO c1nc(N2CCCC2)cc(NCCCC2CC2)[nH+]1 ZINC000575939639 365423065 /nfs/dbraw/zinc/42/30/65/365423065.db2.gz NIPYVEGLHAYDAI-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCCCC2CC2)cc(N2CCCC2)[nH+]1 ZINC000575939639 365423069 /nfs/dbraw/zinc/42/30/69/365423069.db2.gz NIPYVEGLHAYDAI-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000576166052 365507666 /nfs/dbraw/zinc/50/76/66/365507666.db2.gz BQIUDXNGBLXLAC-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000576166052 365507671 /nfs/dbraw/zinc/50/76/71/365507671.db2.gz BQIUDXNGBLXLAC-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000180004357 541507164 /nfs/dbraw/zinc/50/71/64/541507164.db2.gz NQHQOWKWJSOMMU-ZJUUUORDSA-N 1 2 230.315 2.525 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccccc1C ZINC000179998597 541505965 /nfs/dbraw/zinc/50/59/65/541505965.db2.gz WWKDVRQMKMSSDB-NSHDSACASA-N 1 2 229.327 2.877 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CCC[C@@H](O)C2)c1Cl ZINC000382182651 541513077 /nfs/dbraw/zinc/51/30/77/541513077.db2.gz ZUPYVZWRZSHKNZ-VHSXEESVSA-N 1 2 240.734 2.759 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2cc(C)ccn2)on1 ZINC000579818919 367020585 /nfs/dbraw/zinc/02/05/85/367020585.db2.gz CPHNQCYJTGAQFU-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1cccc(F)c1F ZINC000183739384 367044344 /nfs/dbraw/zinc/04/43/44/367044344.db2.gz OHSHKYPRLVCSHQ-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1cccc(F)c1F ZINC000183739384 367044351 /nfs/dbraw/zinc/04/43/51/367044351.db2.gz OHSHKYPRLVCSHQ-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CO[C@@H](C)CSCc1ccc(C)[nH+]c1C ZINC000184836080 367100870 /nfs/dbraw/zinc/10/08/70/367100870.db2.gz ZZNVNHNTHPKCGQ-JTQLQIEISA-N 1 2 225.357 2.967 20 0 BFADLO COCc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000382290893 367504176 /nfs/dbraw/zinc/50/41/76/367504176.db2.gz KXGWPSRQVFCXML-UHFFFAOYSA-N 1 2 229.270 2.578 20 0 BFADLO COc1ccc[nH+]c1NCC1CC(F)(F)C1 ZINC000383310907 367612248 /nfs/dbraw/zinc/61/22/48/367612248.db2.gz VSWMAABQDLHODD-UHFFFAOYSA-N 1 2 228.242 2.547 20 0 BFADLO Cc1c[nH+]ccc1CCN(CC(F)F)C1CC1 ZINC000581817725 367831603 /nfs/dbraw/zinc/83/16/03/367831603.db2.gz SOXSHJYFTJYVLO-UHFFFAOYSA-N 1 2 240.297 2.662 20 0 BFADLO CCC(=O)CCC[N@H+](CC(F)F)C(C)C ZINC000386891735 368031726 /nfs/dbraw/zinc/03/17/26/368031726.db2.gz FBRAJZNAWKEACE-UHFFFAOYSA-N 1 2 221.291 2.721 20 0 BFADLO CCC(=O)CCC[N@@H+](CC(F)F)C(C)C ZINC000386891735 368031727 /nfs/dbraw/zinc/03/17/27/368031727.db2.gz FBRAJZNAWKEACE-UHFFFAOYSA-N 1 2 221.291 2.721 20 0 BFADLO CCC[N@H+](Cc1nc(C)no1)Cc1ccccc1 ZINC000046586353 368446013 /nfs/dbraw/zinc/44/60/13/368446013.db2.gz OHDZZWXENIDBJO-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO CCC[N@@H+](Cc1nc(C)no1)Cc1ccccc1 ZINC000046586353 368446018 /nfs/dbraw/zinc/44/60/18/368446018.db2.gz OHDZZWXENIDBJO-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000046773887 368449676 /nfs/dbraw/zinc/44/96/76/368449676.db2.gz WOXXNVDTHDZELK-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000046773887 368449682 /nfs/dbraw/zinc/44/96/82/368449682.db2.gz WOXXNVDTHDZELK-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO COc1ccc2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000066387834 368644681 /nfs/dbraw/zinc/64/46/81/368644681.db2.gz DEXXJQMNEYVBPE-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO CN(Cc1cccs1)c1cccc[nH+]1 ZINC000067949065 368708290 /nfs/dbraw/zinc/70/82/90/368708290.db2.gz GOFWWUZLYZLLJM-UHFFFAOYSA-N 1 2 204.298 2.780 20 0 BFADLO Cc1cccc(OCCN(C)c2cccc[nH+]2)c1 ZINC000070793567 368765676 /nfs/dbraw/zinc/76/56/76/368765676.db2.gz WPCLGKDRXYWOKX-UHFFFAOYSA-N 1 2 242.322 2.905 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nccn2C)cc1 ZINC000070979080 368769062 /nfs/dbraw/zinc/76/90/62/368769062.db2.gz SRTZJTUGJKFGGJ-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nccn2C)cc1 ZINC000070979080 368769067 /nfs/dbraw/zinc/76/90/67/368769067.db2.gz SRTZJTUGJKFGGJ-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CC[C@@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000074389197 368841763 /nfs/dbraw/zinc/84/17/63/368841763.db2.gz ITZAIGXKUTYENT-NSHDSACASA-N 1 2 234.274 2.557 20 0 BFADLO CC[C@@H](C)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459115759 203233973 /nfs/dbraw/zinc/23/39/73/203233973.db2.gz JEABFNXRLKOAKN-GFCCVEGCSA-N 1 2 249.358 2.638 20 0 BFADLO Cc1cccn2c(NC(=O)C3=CCCC3)c[nH+]c12 ZINC000619013986 369257102 /nfs/dbraw/zinc/25/71/02/369257102.db2.gz AVHKLCDCANGJQE-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459320321 203254868 /nfs/dbraw/zinc/25/48/68/203254868.db2.gz YDEWJLTYXYOIKM-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459320321 203254870 /nfs/dbraw/zinc/25/48/70/203254870.db2.gz YDEWJLTYXYOIKM-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO C[C@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC(C)(C)C ZINC000459363735 203267893 /nfs/dbraw/zinc/26/78/93/203267893.db2.gz RLTGSBPPNODHIS-JTQLQIEISA-N 1 2 239.359 2.639 20 0 BFADLO Cc1cc(C[NH2+]Cc2cscc2C)no1 ZINC000459512729 203293174 /nfs/dbraw/zinc/29/31/74/203293174.db2.gz KATKHGWRHDOCCM-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000459438693 203279360 /nfs/dbraw/zinc/27/93/60/203279360.db2.gz UYPCEYITZPIYRB-WCQYABFASA-N 1 2 247.342 2.864 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000623680134 369381992 /nfs/dbraw/zinc/38/19/92/369381992.db2.gz ZDUKZRMCVRVSND-UHFFFAOYSA-N 1 2 239.269 2.698 20 0 BFADLO COC1C[NH+](Cc2ccc(OCC(C)C)cc2)C1 ZINC000459583377 203306819 /nfs/dbraw/zinc/30/68/19/203306819.db2.gz PEXDUBCCVHPHQW-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc(OC)c1 ZINC000623680788 369391664 /nfs/dbraw/zinc/39/16/64/369391664.db2.gz ZUSALCXXSDICKJ-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO CCOC1(C)C[NH+](C/C=C\c2ccccc2)C1 ZINC000459614604 203315854 /nfs/dbraw/zinc/31/58/54/203315854.db2.gz DTZJFDIOIUYOST-YFHOEESVSA-N 1 2 231.339 2.811 20 0 BFADLO CCOC1(C)C[NH+](Cc2cccc(C)c2F)C1 ZINC000459616660 203316619 /nfs/dbraw/zinc/31/66/19/203316619.db2.gz HFEVWEVQUWDDOH-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO CCOC1(C)C[NH+](Cc2csc(C)c2)C1 ZINC000459624975 203321361 /nfs/dbraw/zinc/32/13/61/203321361.db2.gz SABPTNBDVPCLQY-UHFFFAOYSA-N 1 2 225.357 2.667 20 0 BFADLO Cc1cccc(C[NH+]2CC(OC(F)F)C2)c1C ZINC000459643562 203329016 /nfs/dbraw/zinc/32/90/16/203329016.db2.gz XSZPZNCXQYKZIP-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccn(C)n1 ZINC000459735317 203348162 /nfs/dbraw/zinc/34/81/62/203348162.db2.gz ALHGWKNNNBMXCY-MRVPVSSYSA-N 1 2 239.706 2.517 20 0 BFADLO CCC[C@](C)([NH2+]Cc1ccccc1C)C(=O)OC ZINC000109803147 369539023 /nfs/dbraw/zinc/53/90/23/369539023.db2.gz WLQNLLSXRZMUCJ-HNNXBMFYSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1noc(C)c1CNc1cc[nH+]c(C2CC2)n1 ZINC000110280666 369691208 /nfs/dbraw/zinc/69/12/08/369691208.db2.gz POCZWTINWKVPRB-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO Cc1ncc(CNc2cc[nH+]c(C(C)C)n2)s1 ZINC000110274343 369691339 /nfs/dbraw/zinc/69/13/39/369691339.db2.gz HNPBRTVKSMCYNI-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO Cc1cn2ccc(NC(=O)CCC3CC3)cc2[nH+]1 ZINC000620650414 369972188 /nfs/dbraw/zinc/97/21/88/369972188.db2.gz WGCHGCDEYUPROH-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO Cc1cn2ccc(NC(=O)C3CC=CC3)cc2[nH+]1 ZINC000620650563 369972832 /nfs/dbraw/zinc/97/28/32/369972832.db2.gz ZYYXGLHTYVYJRR-UHFFFAOYSA-N 1 2 241.294 2.547 20 0 BFADLO CC[C@@H]1CCC[C@H](C)N1C(=O)CCc1[nH]cc[nH+]1 ZINC000620576877 369935598 /nfs/dbraw/zinc/93/55/98/369935598.db2.gz CUJWBILIWNBZMW-NWDGAFQWSA-N 1 2 249.358 2.522 20 0 BFADLO Nc1[nH+]cccc1CSC1CCCC1 ZINC000062831178 370104230 /nfs/dbraw/zinc/10/42/30/370104230.db2.gz DAPYFQPLYIAHAG-UHFFFAOYSA-N 1 2 208.330 2.840 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1ncc(C)o1 ZINC000075681382 370167628 /nfs/dbraw/zinc/16/76/28/370167628.db2.gz NHSASIMUIKIOGK-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1ncc(C)o1 ZINC000075681382 370167632 /nfs/dbraw/zinc/16/76/32/370167632.db2.gz NHSASIMUIKIOGK-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(Cl)c2)CCS1 ZINC000621255078 370187998 /nfs/dbraw/zinc/18/79/98/370187998.db2.gz XLBJWPBEJRTXDS-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)CCS1 ZINC000621255078 370188004 /nfs/dbraw/zinc/18/80/04/370188004.db2.gz XLBJWPBEJRTXDS-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1nc(C)no1 ZINC000621277028 370208134 /nfs/dbraw/zinc/20/81/34/370208134.db2.gz HZSHGCCSFPFMSJ-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(C)no1 ZINC000621277028 370208140 /nfs/dbraw/zinc/20/81/40/370208140.db2.gz HZSHGCCSFPFMSJ-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](Cc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000309863453 370269727 /nfs/dbraw/zinc/26/97/27/370269727.db2.gz NPKVKZXHNZKTNZ-GFCCVEGCSA-N 1 2 215.300 2.843 20 0 BFADLO FC1(F)C[C@@H]1CCNc1cc[nH+]c2ccncc12 ZINC000621345419 370279130 /nfs/dbraw/zinc/27/91/30/370279130.db2.gz LLTDMKIJZOAPDC-VIFPVBQESA-N 1 2 249.264 2.509 20 0 BFADLO Fc1ccc(C2([NH2+]Cc3ccn[nH]3)CCC2)cc1 ZINC000066992217 370622507 /nfs/dbraw/zinc/62/25/07/370622507.db2.gz IAEQVCNNOOTCNX-UHFFFAOYSA-N 1 2 245.301 2.718 20 0 BFADLO CC(C)C[NH2+]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623776921 371088459 /nfs/dbraw/zinc/08/84/59/371088459.db2.gz HFBQNTIFWRPHOY-UHFFFAOYSA-N 1 2 231.299 2.646 20 0 BFADLO c1coc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000623849592 371127449 /nfs/dbraw/zinc/12/74/49/371127449.db2.gz JXIRFPBJEGDEIY-SNVBAGLBSA-N 1 2 234.324 2.903 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)c1ccncc1 ZINC000624023606 371256519 /nfs/dbraw/zinc/25/65/19/371256519.db2.gz DOLWJIWFHJJUAX-NSHDSACASA-N 1 2 243.310 2.701 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000125599711 371361119 /nfs/dbraw/zinc/36/11/19/371361119.db2.gz SKRYBRCKNQPAPF-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000624147955 371343628 /nfs/dbraw/zinc/34/36/28/371343628.db2.gz PRWQNLMSHDZBSD-JTQLQIEISA-N 1 2 243.297 2.875 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)CC(F)F ZINC000624327486 371479703 /nfs/dbraw/zinc/47/97/03/371479703.db2.gz DGEJHGYGLGMTEF-QMMMGPOBSA-N 1 2 230.258 2.793 20 0 BFADLO CCC(F)(F)CNc1[nH+]cccc1OC ZINC000624560763 371541321 /nfs/dbraw/zinc/54/13/21/371541321.db2.gz VDEGJHPFUQSRQK-UHFFFAOYSA-N 1 2 216.231 2.547 20 0 BFADLO COc1ccc[nH+]c1NCC[C@]1(C)CC1(F)F ZINC000624399566 371499125 /nfs/dbraw/zinc/49/91/25/371499125.db2.gz PJFDUNADZPENCR-LLVKDONJSA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(C)ccc2F)no1 ZINC000227285408 371825296 /nfs/dbraw/zinc/82/52/96/371825296.db2.gz KRNMDOWFYWUDEA-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cn1cc[nH+]c1CSC1CCCCC1 ZINC000133018155 371969569 /nfs/dbraw/zinc/96/95/69/371969569.db2.gz KNVKQVTWWKZVGS-UHFFFAOYSA-N 1 2 210.346 2.986 20 0 BFADLO CC1C[NH+](Cc2cc(Br)cs2)C1 ZINC000133382876 372034278 /nfs/dbraw/zinc/03/42/78/372034278.db2.gz RLJDRXBMQCNSEM-UHFFFAOYSA-N 1 2 246.173 2.962 20 0 BFADLO COc1ccc[nH+]c1NCCCCSC ZINC000229299260 372138229 /nfs/dbraw/zinc/13/82/29/372138229.db2.gz GZPRMYNLDZYPEP-UHFFFAOYSA-N 1 2 226.345 2.645 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631142076 372209037 /nfs/dbraw/zinc/20/90/37/372209037.db2.gz CLFOUAHPELGGPP-UHFFFAOYSA-N 1 2 236.212 2.764 20 0 BFADLO c1ccc2cc(N[C@H]3CCCOC3)[nH+]cc2c1 ZINC000631109471 372200008 /nfs/dbraw/zinc/20/00/08/372200008.db2.gz RORJHRKOBKAZLT-ZDUSSCGKSA-N 1 2 228.295 2.826 20 0 BFADLO CCc1csc([C@@H](C)Nc2cc(C)[nH+]cn2)n1 ZINC000631320008 372292055 /nfs/dbraw/zinc/29/20/55/372292055.db2.gz QNBNOUQIRNBUPM-SECBINFHSA-N 1 2 248.355 2.977 20 0 BFADLO CCCCc1cc(N[C@H]2CC23CC3)nc[nH+]1 ZINC000631309757 372288001 /nfs/dbraw/zinc/28/80/01/372288001.db2.gz WAIAWANKZOTKOK-NSHDSACASA-N 1 2 217.316 2.784 20 0 BFADLO CCc1cc(N[C@H]2CCCC23CC3)nc[nH+]1 ZINC000631417867 372349676 /nfs/dbraw/zinc/34/96/76/372349676.db2.gz DEBSTDIWLHTFNS-NSHDSACASA-N 1 2 217.316 2.784 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCCC12CC2 ZINC000631421171 372351896 /nfs/dbraw/zinc/35/18/96/372351896.db2.gz ZEADGHIVKYVRMX-LLVKDONJSA-N 1 2 218.300 2.835 20 0 BFADLO Cc1cc(N[C@@H](C)CC2CCC2)nc[nH+]1 ZINC000631517642 372405345 /nfs/dbraw/zinc/40/53/45/372405345.db2.gz FQYBBRVGASIYNO-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cccnc1[C@@H]([NH2+]CC(F)F)C(C)C ZINC000172817717 373085102 /nfs/dbraw/zinc/08/51/02/373085102.db2.gz OGLWLPBLAATVGQ-NSHDSACASA-N 1 2 228.286 2.942 20 0 BFADLO Cc1cnc(CNc2cc[nH+]c(C(C)C)n2)s1 ZINC000172774811 373070423 /nfs/dbraw/zinc/07/04/23/373070423.db2.gz JFTPJJAJDDAACU-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccc(Cl)o2)cs1 ZINC000040418857 373253174 /nfs/dbraw/zinc/25/31/74/373253174.db2.gz MELPHJBBPQWVHQ-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cs1 ZINC000634424372 374248832 /nfs/dbraw/zinc/24/88/32/374248832.db2.gz VQFSOEHDBCTREN-UHFFFAOYSA-N 1 2 249.339 2.696 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cs1 ZINC000634424372 374248837 /nfs/dbraw/zinc/24/88/37/374248837.db2.gz VQFSOEHDBCTREN-UHFFFAOYSA-N 1 2 249.339 2.696 20 0 BFADLO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000424200724 206035956 /nfs/dbraw/zinc/03/59/56/206035956.db2.gz RFSRWGZCMBXFGB-GJZGRUSLSA-N 1 2 242.297 2.809 20 0 BFADLO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000424200723 206036094 /nfs/dbraw/zinc/03/60/94/206036094.db2.gz RFSRWGZCMBXFGB-CABCVRRESA-N 1 2 242.297 2.809 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)O[C@H](C)[C@H]2C)cc[nH+]1 ZINC000445672623 206084861 /nfs/dbraw/zinc/08/48/61/206084861.db2.gz BGSLLSQHYNXDBE-IJLUTSLNSA-N 1 2 249.358 2.602 20 0 BFADLO Cc1nc(N2C[C@@H](C(C)C)[C@@H]2C(C)C)cc[nH+]1 ZINC000450806627 206104678 /nfs/dbraw/zinc/10/46/78/206104678.db2.gz QZKHEYHDTXGAOW-JSGCOSHPSA-N 1 2 233.359 2.902 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CCOCC1CCCC1 ZINC000459493467 206132312 /nfs/dbraw/zinc/13/23/12/206132312.db2.gz YKHTWUKTXYNFPH-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CCOCC1CCCC1 ZINC000459493467 206132316 /nfs/dbraw/zinc/13/23/16/206132316.db2.gz YKHTWUKTXYNFPH-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO Fc1ccc(/C=C/C[NH2+]CC(F)F)c(F)c1 ZINC000459541535 206133182 /nfs/dbraw/zinc/13/31/82/206133182.db2.gz GIRUWKICBFDABR-OWOJBTEDSA-N 1 2 233.208 2.833 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)[C@@H]1CC=CCC1 ZINC000266137789 182375026 /nfs/dbraw/zinc/37/50/26/182375026.db2.gz FKQIKIXAVCGCNW-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO CCOCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265331674 170383349 /nfs/dbraw/zinc/38/33/49/170383349.db2.gz GQQRHNXMSZAOBR-UHFFFAOYSA-N 1 2 235.331 2.501 20 0 BFADLO OCC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000354328448 183097316 /nfs/dbraw/zinc/09/73/16/183097316.db2.gz VJSLDVPDJTVFEL-ZDUSSCGKSA-N 1 2 228.295 2.617 20 0 BFADLO CCCC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000357829906 168987975 /nfs/dbraw/zinc/98/79/75/168987975.db2.gz SOPXTLZKVVFGQC-JTQLQIEISA-N 1 2 207.321 2.800 20 0 BFADLO OCC[C@@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000267554385 183091781 /nfs/dbraw/zinc/09/17/81/183091781.db2.gz YUSVXFMRZOYNDF-CYBMUJFWSA-N 1 2 234.343 2.825 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377782443 169025624 /nfs/dbraw/zinc/02/56/24/169025624.db2.gz NRNQYRQUHPVMLH-VXGBXAGGSA-N 1 2 249.358 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377782443 169025627 /nfs/dbraw/zinc/02/56/27/169025627.db2.gz NRNQYRQUHPVMLH-VXGBXAGGSA-N 1 2 249.358 2.787 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@H](C3CC3)C2)no1 ZINC000371308120 169025825 /nfs/dbraw/zinc/02/58/25/169025825.db2.gz LGBQZTJHTHJTHE-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@H](C3CC3)C2)no1 ZINC000371308120 169025827 /nfs/dbraw/zinc/02/58/27/169025827.db2.gz LGBQZTJHTHJTHE-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC[C@H]2CC)no1 ZINC000336679719 169026566 /nfs/dbraw/zinc/02/65/66/169026566.db2.gz BZMPBALWKFOPCA-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC[C@H]2CC)no1 ZINC000336679719 169026569 /nfs/dbraw/zinc/02/65/69/169026569.db2.gz BZMPBALWKFOPCA-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO OCc1ccc(NCCCC2CCCCC2)[nH+]c1 ZINC000356352697 183162519 /nfs/dbraw/zinc/16/25/19/183162519.db2.gz VEZBXSPZZRLUDC-UHFFFAOYSA-N 1 2 248.370 2.768 20 0 BFADLO OCc1ccc(NCCC2CCCCCC2)[nH+]c1 ZINC000356332397 183162764 /nfs/dbraw/zinc/16/27/64/183162764.db2.gz GDQMKJBQGQLXQN-UHFFFAOYSA-N 1 2 248.370 2.768 20 0 BFADLO CCCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152257381 169056785 /nfs/dbraw/zinc/05/67/85/169056785.db2.gz JHHQUYNJDAPAQL-UHFFFAOYSA-N 1 2 221.304 2.572 20 0 BFADLO O[C@@H]1CC[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000236548987 183201840 /nfs/dbraw/zinc/20/18/40/183201840.db2.gz VHKJRRKKUJXYKS-DGCLKSJQSA-N 1 2 242.322 2.808 20 0 BFADLO CCC[NH+](CCC)Cc1nnc(OCC)s1 ZINC000336659662 169150173 /nfs/dbraw/zinc/15/01/73/169150173.db2.gz AGNZMYVWOPCGBM-UHFFFAOYSA-N 1 2 243.376 2.559 20 0 BFADLO CCCN(CC)c1cc[nH+]c(C(C)C)n1 ZINC000359025843 169133367 /nfs/dbraw/zinc/13/33/67/169133367.db2.gz CRWOKNPRELXFKA-UHFFFAOYSA-N 1 2 207.321 2.836 20 0 BFADLO CCCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC000359701576 169134190 /nfs/dbraw/zinc/13/41/90/169134190.db2.gz CERVYYUYTMOPPI-UHFFFAOYSA-N 1 2 233.359 2.900 20 0 BFADLO CCC[N@H+](Cc1nnc(C)[nH]1)Cc1ccccc1 ZINC000292213338 169177782 /nfs/dbraw/zinc/17/77/82/169177782.db2.gz PYSXHTYUYSXZBH-UHFFFAOYSA-N 1 2 244.342 2.525 20 0 BFADLO CCC[N@@H+](Cc1nnc(C)[nH]1)Cc1ccccc1 ZINC000292213338 169177784 /nfs/dbraw/zinc/17/77/84/169177784.db2.gz PYSXHTYUYSXZBH-UHFFFAOYSA-N 1 2 244.342 2.525 20 0 BFADLO CCCN(CCO)c1[nH+]ccc2ccc(F)cc21 ZINC000340252294 169168294 /nfs/dbraw/zinc/16/82/94/169168294.db2.gz BFXLEBHEYYVXOP-UHFFFAOYSA-N 1 2 248.301 2.583 20 0 BFADLO CCCN(c1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000302836826 169183327 /nfs/dbraw/zinc/18/33/27/169183327.db2.gz WYEZFYQYYSHUDA-UHFFFAOYSA-N 1 2 215.300 2.942 20 0 BFADLO CCCN(c1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000361630619 169183656 /nfs/dbraw/zinc/18/36/56/169183656.db2.gz FIAMTURWIJSAKX-UHFFFAOYSA-N 1 2 230.315 2.645 20 0 BFADLO c1c[nH+]c(COCCCC2CCCC2)[nH]1 ZINC000123751385 183326757 /nfs/dbraw/zinc/32/67/57/183326757.db2.gz URNXZVQIYPKFJU-UHFFFAOYSA-N 1 2 208.305 2.897 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000127504965 183326905 /nfs/dbraw/zinc/32/69/05/183326905.db2.gz UGGDYAVQBLXMTB-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000127504965 183326907 /nfs/dbraw/zinc/32/69/07/183326907.db2.gz UGGDYAVQBLXMTB-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1cc([C@@H]2CCCC[N@H+]2Cc2ccncc2)n[nH]1 ZINC000285377256 183341569 /nfs/dbraw/zinc/34/15/69/183341569.db2.gz MXNCMOUKIZNTHM-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)n[nH]1 ZINC000285377256 183341574 /nfs/dbraw/zinc/34/15/74/183341574.db2.gz MXNCMOUKIZNTHM-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc(CNc2ccc([NH+]3CCCC3)cc2)n[nH]1 ZINC000037102376 183353928 /nfs/dbraw/zinc/35/39/28/183353928.db2.gz FTKQULYORUBQDE-UHFFFAOYSA-N 1 2 242.326 2.622 20 0 BFADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)ccn1 ZINC000336337200 183354442 /nfs/dbraw/zinc/35/44/42/183354442.db2.gz XGIBHGUWZUOFJX-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO c1cc(NC2CCSCC2)nc(C2CC2)[nH+]1 ZINC000264688057 183357498 /nfs/dbraw/zinc/35/74/98/183357498.db2.gz XLEKIJDPYLODQH-UHFFFAOYSA-N 1 2 235.356 2.662 20 0 BFADLO c1cc(NC[C@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000279555474 183357573 /nfs/dbraw/zinc/35/75/73/183357573.db2.gz SYMBMLYWFZNNAT-SECBINFHSA-N 1 2 235.356 2.519 20 0 BFADLO c1cc(OC2COC2)ccc1[NH2+]C1CCCC1 ZINC000186502067 183358576 /nfs/dbraw/zinc/35/85/76/183358576.db2.gz WHDQNDHMGMLXAU-UHFFFAOYSA-N 1 2 233.311 2.819 20 0 BFADLO c1cc2[nH+]ccc(N[C@H]3CCCSC3)c2cn1 ZINC000267937120 183376892 /nfs/dbraw/zinc/37/68/92/183376892.db2.gz GSKKWLFMBDWJKV-JTQLQIEISA-N 1 2 245.351 2.937 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CCSC3)c2cn1 ZINC000267991347 183377308 /nfs/dbraw/zinc/37/73/08/183377308.db2.gz RLZDOEKCIPLGAJ-SECBINFHSA-N 1 2 231.324 2.547 20 0 BFADLO c1cc(-c2ccccc2)oc1C[NH+]1CCOCC1 ZINC000154535862 183379828 /nfs/dbraw/zinc/37/98/28/183379828.db2.gz WOBZILHESQZYET-UHFFFAOYSA-N 1 2 243.306 2.779 20 0 BFADLO CCCSCC(=O)Nc1cc[nH+]cc1CC ZINC000265049136 169338069 /nfs/dbraw/zinc/33/80/69/169338069.db2.gz OAXUJLRJWCTFCD-UHFFFAOYSA-N 1 2 238.356 2.726 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000340025754 169366363 /nfs/dbraw/zinc/36/63/63/169366363.db2.gz UNZWYNCZGQRVOZ-LLVKDONJSA-N 1 2 248.374 2.923 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000340025754 169366365 /nfs/dbraw/zinc/36/63/65/169366365.db2.gz UNZWYNCZGQRVOZ-LLVKDONJSA-N 1 2 248.374 2.923 20 0 BFADLO CCC[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276665855 169352146 /nfs/dbraw/zinc/35/21/46/169352146.db2.gz UGNKMOTUECKEHO-MNOVXSKESA-N 1 2 237.347 2.659 20 0 BFADLO CCC[C@@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000050506688 169360031 /nfs/dbraw/zinc/36/00/31/169360031.db2.gz FPSGWCPWUXLJKC-TZMCWYRMSA-N 1 2 249.354 2.927 20 0 BFADLO CCC[C@@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000308851063 169372506 /nfs/dbraw/zinc/37/25/06/169372506.db2.gz RGUYTBKGPHUHGJ-MRVPVSSYSA-N 1 2 225.361 2.902 20 0 BFADLO CCC[C@@H](O)CSc1[nH+]cc2ccccn21 ZINC000298340904 169411775 /nfs/dbraw/zinc/41/17/75/169411775.db2.gz ODWORNLKNNAGRH-LLVKDONJSA-N 1 2 236.340 2.587 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000336428484 383868429 /nfs/dbraw/zinc/86/84/29/383868429.db2.gz APHSUETVAGGHIL-ONGXEEELSA-N 1 2 247.342 2.961 20 0 BFADLO CC[C@@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000088298862 383891217 /nfs/dbraw/zinc/89/12/17/383891217.db2.gz JAELUOKCZIIVMS-ZJUUUORDSA-N 1 2 247.346 2.600 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(F)c1)C(F)F ZINC000449362548 383991280 /nfs/dbraw/zinc/99/12/80/383991280.db2.gz NFJWZEYBCUYWPR-SNVBAGLBSA-N 1 2 217.234 2.959 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)o1 ZINC000293880566 383999574 /nfs/dbraw/zinc/99/95/74/383999574.db2.gz FRZULSZVUMDETL-MNOVXSKESA-N 1 2 231.299 2.580 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1nccnc1C ZINC000293885857 384000832 /nfs/dbraw/zinc/00/08/32/384000832.db2.gz YWLODMBMMMPMHS-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000644902098 384024220 /nfs/dbraw/zinc/02/42/20/384024220.db2.gz HIMBWUHHIXLUCR-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000644902098 384024225 /nfs/dbraw/zinc/02/42/25/384024225.db2.gz HIMBWUHHIXLUCR-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000644902098 384024232 /nfs/dbraw/zinc/02/42/32/384024232.db2.gz HIMBWUHHIXLUCR-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000644902096 384025238 /nfs/dbraw/zinc/02/52/38/384025238.db2.gz HIMBWUHHIXLUCR-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000644902096 384025242 /nfs/dbraw/zinc/02/52/42/384025242.db2.gz HIMBWUHHIXLUCR-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CC[C@@H](C)[C@H](F)C1 ZINC000644902096 384025249 /nfs/dbraw/zinc/02/52/49/384025249.db2.gz HIMBWUHHIXLUCR-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000037772215 384012725 /nfs/dbraw/zinc/01/27/25/384012725.db2.gz JLVYCPRQDWHXSN-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1cc(C)c(NCc2c[nH+]cn2C)c(C)c1 ZINC000090166710 384030663 /nfs/dbraw/zinc/03/06/63/384030663.db2.gz CIBRMEDJCFJHHR-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO COc1c(C)ccc(NCc2c[nH+]cn2C)c1C ZINC000090166262 384031763 /nfs/dbraw/zinc/03/17/63/384031763.db2.gz DQEYIYZXRNRMMG-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO CCS[C@H](C)c1noc(C[NH+](CC)CC)n1 ZINC000119949081 384035228 /nfs/dbraw/zinc/03/52/28/384035228.db2.gz MMCXAQLBSGSOAR-SECBINFHSA-N 1 2 243.376 2.726 20 0 BFADLO c1ncc(C[NH+]2Cc3ccccc3C2)s1 ZINC000119948056 384036353 /nfs/dbraw/zinc/03/63/53/384036353.db2.gz QJSNIWVIKFMSJG-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000449380207 384090584 /nfs/dbraw/zinc/09/05/84/384090584.db2.gz MDYHPTIRXATXIA-UHFFFAOYSA-N 1 2 243.228 2.969 20 0 BFADLO CCCCCC(=O)NCCCNc1cccc[nH+]1 ZINC000115160932 384070323 /nfs/dbraw/zinc/07/03/23/384070323.db2.gz ZFUIDJVTCNMXAU-UHFFFAOYSA-N 1 2 249.358 2.580 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000530471593 384102814 /nfs/dbraw/zinc/10/28/14/384102814.db2.gz OZUQLCIZRGDZME-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116895465 384157737 /nfs/dbraw/zinc/15/77/37/384157737.db2.gz HIHRBDPXNKHGHK-CYBMUJFWSA-N 1 2 235.327 2.928 20 0 BFADLO CC(C)=CC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000116895465 384157740 /nfs/dbraw/zinc/15/77/40/384157740.db2.gz HIHRBDPXNKHGHK-CYBMUJFWSA-N 1 2 235.327 2.928 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccsc1 ZINC000050344179 384194033 /nfs/dbraw/zinc/19/40/33/384194033.db2.gz SGILVGGKGKFDOU-MRVPVSSYSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)no1 ZINC000132497970 384233496 /nfs/dbraw/zinc/23/34/96/384233496.db2.gz FQYOCUBPQMGBCR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)no1 ZINC000132497970 384233500 /nfs/dbraw/zinc/23/35/00/384233500.db2.gz FQYOCUBPQMGBCR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000072630224 384228357 /nfs/dbraw/zinc/22/83/57/384228357.db2.gz DYPJNXGQZIAFOK-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccc(O)c2)o1 ZINC000072630224 384228364 /nfs/dbraw/zinc/22/83/64/384228364.db2.gz DYPJNXGQZIAFOK-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CCc3ccsc3C2)o1 ZINC000132811602 384255248 /nfs/dbraw/zinc/25/52/48/384255248.db2.gz LEFSPZSEOXFIRD-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CCc3ccsc3C2)o1 ZINC000132811602 384255253 /nfs/dbraw/zinc/25/52/53/384255253.db2.gz LEFSPZSEOXFIRD-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1[nH+]cccc1Cn1cc(C(C)C)cn1 ZINC000647163107 384267422 /nfs/dbraw/zinc/26/74/22/384267422.db2.gz CNLQPBMBXUUJIT-UHFFFAOYSA-N 1 2 215.300 2.758 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1CC1)c1cc(C)cc(C)c1 ZINC000043394951 384273809 /nfs/dbraw/zinc/27/38/09/384273809.db2.gz LAQNXVVLQSYNSN-CQSZACIVSA-N 1 2 247.338 2.517 20 0 BFADLO CCC1(C(=O)Nc2ccc(N)[nH+]c2)CCCC1 ZINC000094905795 384317457 /nfs/dbraw/zinc/31/74/57/384317457.db2.gz WKMMOGWGSYHMNW-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO FC(F)C[NH2+]Cc1coc2ccccc12 ZINC000147385569 384292139 /nfs/dbraw/zinc/29/21/39/384292139.db2.gz YWUSZPJIXFBSSX-UHFFFAOYSA-N 1 2 211.211 2.788 20 0 BFADLO COC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000119646545 384293915 /nfs/dbraw/zinc/29/39/15/384293915.db2.gz KOURNGVOBVVNEQ-OAHLLOKOSA-N 1 2 247.338 2.681 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1ccc(F)cn1 ZINC000133962559 384322228 /nfs/dbraw/zinc/32/22/28/384322228.db2.gz XDRFDKXAKLZDSD-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CC(C)c1nc(N[C@H]2CC[C@H]2C)cc[nH+]1 ZINC000308838542 384340590 /nfs/dbraw/zinc/34/05/90/384340590.db2.gz JFIOHCJMZDDCPI-ZJUUUORDSA-N 1 2 205.305 2.810 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000120291135 384344413 /nfs/dbraw/zinc/34/44/13/384344413.db2.gz XMWWLIBSVYMOGJ-PHIMTYICSA-N 1 2 247.342 2.900 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCC12CC2 ZINC000625605839 384347176 /nfs/dbraw/zinc/34/71/76/384347176.db2.gz DWCJEVZLRBUSGC-GFCCVEGCSA-N 1 2 244.338 2.585 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1C ZINC000120432152 384351625 /nfs/dbraw/zinc/35/16/25/384351625.db2.gz RZTQCMVINVEYAE-BXUZGUMPSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000643349234 384368003 /nfs/dbraw/zinc/36/80/03/384368003.db2.gz HDCTUCFMYYWTMG-LLVKDONJSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1cc[nH+]cc1NCc1cncc(F)c1 ZINC000335600014 384370609 /nfs/dbraw/zinc/37/06/09/384370609.db2.gz SGMBNNDGGIBCLP-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO CC(C)(C)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120135587 384331061 /nfs/dbraw/zinc/33/10/61/384331061.db2.gz ZHTPGSMNPUFWEL-NSHDSACASA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000134975562 384404817 /nfs/dbraw/zinc/40/48/17/384404817.db2.gz OPURDAUGKCRONF-TZMCWYRMSA-N 1 2 249.354 2.721 20 0 BFADLO CC[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC000134975606 384405188 /nfs/dbraw/zinc/40/51/88/384405188.db2.gz OPURDAUGKCRONF-GXTWGEPZSA-N 1 2 249.354 2.721 20 0 BFADLO CCS[C@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000224438630 384409402 /nfs/dbraw/zinc/40/94/02/384409402.db2.gz BIYQFYOXRTWGOR-MNOVXSKESA-N 1 2 237.372 2.871 20 0 BFADLO CCS[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000224438581 384410360 /nfs/dbraw/zinc/41/03/60/384410360.db2.gz BIYQFYOXRTWGOR-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000335606535 384381675 /nfs/dbraw/zinc/38/16/75/384381675.db2.gz BOBMBJLRXBTDPT-NWDGAFQWSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)C(C)C ZINC000179865825 384383592 /nfs/dbraw/zinc/38/35/92/384383592.db2.gz HLIMPHFNQIVKMC-SNVBAGLBSA-N 1 2 235.331 2.804 20 0 BFADLO Fc1cc(OCCn2cc[nH+]c2)ccc1Cl ZINC000147797084 384455404 /nfs/dbraw/zinc/45/54/04/384455404.db2.gz JRLCVUQLZZKXTJ-UHFFFAOYSA-N 1 2 240.665 2.755 20 0 BFADLO CS[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000078267234 384437680 /nfs/dbraw/zinc/43/76/80/384437680.db2.gz LCTJLCUGHWLDOO-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO CC(C)Oc1ccccc1NCc1c[nH+]cn1C ZINC000078780089 384466089 /nfs/dbraw/zinc/46/60/89/384466089.db2.gz PSLQZQIZODTPPV-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO Cc1noc(C)c1C[NH2+][C@H](C)c1cscn1 ZINC000161167542 384469881 /nfs/dbraw/zinc/46/98/81/384469881.db2.gz DQHMCQCUHGUNPL-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Fc1cccc(C[N@H+](Cc2ccon2)C2CC2)c1 ZINC000122853709 384517782 /nfs/dbraw/zinc/51/77/82/384517782.db2.gz BOTROYPQYZOXSJ-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2ccon2)C2CC2)c1 ZINC000122853709 384517787 /nfs/dbraw/zinc/51/77/87/384517787.db2.gz BOTROYPQYZOXSJ-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1C=CCCC1 ZINC000172189316 384543563 /nfs/dbraw/zinc/54/35/63/384543563.db2.gz XTQHXSPXTKJJHI-JTQLQIEISA-N 1 2 241.285 2.819 20 0 BFADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1C=CCCC1 ZINC000172189316 384543566 /nfs/dbraw/zinc/54/35/66/384543566.db2.gz XTQHXSPXTKJJHI-JTQLQIEISA-N 1 2 241.285 2.819 20 0 BFADLO CC(C)(C)C[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000172239726 384552781 /nfs/dbraw/zinc/55/27/81/384552781.db2.gz BLVLSMIRBHBYLB-NSHDSACASA-N 1 2 249.358 2.563 20 0 BFADLO Clc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714559 384557504 /nfs/dbraw/zinc/55/75/04/384557504.db2.gz KWRNCEDVXKEPDS-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO CCOc1ccc([NH2+]CCCCCO)cc1 ZINC000049819447 384568222 /nfs/dbraw/zinc/56/82/22/384568222.db2.gz PVCQONDLVUFQGG-UHFFFAOYSA-N 1 2 223.316 2.660 20 0 BFADLO C[N@H+](Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000184187725 384575449 /nfs/dbraw/zinc/57/54/49/384575449.db2.gz DYSPCDPUSVWIFS-UHFFFAOYSA-N 1 2 245.351 2.799 20 0 BFADLO C[N@@H+](Cc1nnc(-c2ccccc2)s1)C1CC1 ZINC000184187725 384575459 /nfs/dbraw/zinc/57/54/59/384575459.db2.gz DYSPCDPUSVWIFS-UHFFFAOYSA-N 1 2 245.351 2.799 20 0 BFADLO Cc1cc(N2CCSC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000172374627 384576787 /nfs/dbraw/zinc/57/67/87/384576787.db2.gz HVQSDIOTMKVUNO-JTQLQIEISA-N 1 2 249.383 2.604 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1cccc(Cl)c1 ZINC000172383190 384577124 /nfs/dbraw/zinc/57/71/24/384577124.db2.gz KIPJPNHVCFHVHT-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1cccc(Cl)c1 ZINC000172383190 384577128 /nfs/dbraw/zinc/57/71/28/384577128.db2.gz KIPJPNHVCFHVHT-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1F ZINC000517947550 384590054 /nfs/dbraw/zinc/59/00/54/384590054.db2.gz KIHYDBMKLAWCRD-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1F ZINC000517947550 384590056 /nfs/dbraw/zinc/59/00/56/384590056.db2.gz KIHYDBMKLAWCRD-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO Clc1ccc(Cl)c(C[NH+]2CCCC2)n1 ZINC000061630305 384567923 /nfs/dbraw/zinc/56/79/23/384567923.db2.gz OYGVXMNFTNLQFZ-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@H]2CCCOC2)c1 ZINC000309801122 384623553 /nfs/dbraw/zinc/62/35/53/384623553.db2.gz REYPLLPQOSDZQD-NEPJUHHUSA-N 1 2 220.316 2.617 20 0 BFADLO COC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000172765672 384627416 /nfs/dbraw/zinc/62/74/16/384627416.db2.gz SFTKAILKEATPSQ-CYBMUJFWSA-N 1 2 243.310 2.585 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cnccn2)o1 ZINC000184420468 384601971 /nfs/dbraw/zinc/60/19/71/384601971.db2.gz AKAPZVMLUVHWIE-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2cnccn2)o1 ZINC000184420468 384601979 /nfs/dbraw/zinc/60/19/79/384601979.db2.gz AKAPZVMLUVHWIE-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C)cc([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184694886 384636160 /nfs/dbraw/zinc/63/61/60/384636160.db2.gz XHEMLTRZVVXPKX-LLVKDONJSA-N 1 2 243.297 2.582 20 0 BFADLO CCc1ccc(/C=C\c2nc(C[NH2+]C)no2)cc1 ZINC000556907063 384640538 /nfs/dbraw/zinc/64/05/38/384640538.db2.gz UXSVUVGNLLCKDF-HJWRWDBZSA-N 1 2 243.310 2.522 20 0 BFADLO CC[C@H](NC(=O)C1CCCCC1)c1[nH]cc[nH+]1 ZINC000140595253 384655585 /nfs/dbraw/zinc/65/55/85/384655585.db2.gz PSNANAHDVUJDLO-NSHDSACASA-N 1 2 235.331 2.557 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@H]1CC[C@H](C)O1 ZINC000173173251 384659600 /nfs/dbraw/zinc/65/96/00/384659600.db2.gz YXLSGOZAEMEXQH-NWDGAFQWSA-N 1 2 248.326 2.676 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000271118978 384724197 /nfs/dbraw/zinc/72/41/97/384724197.db2.gz IXERSSFDPIOKPS-GHMZBOCLSA-N 1 2 233.315 2.510 20 0 BFADLO CO[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000363673384 384677099 /nfs/dbraw/zinc/67/70/99/384677099.db2.gz PIBBMASGNKJQGU-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1nc(C[N@H+](C)CCC2CCCCC2)no1 ZINC000101565852 384679876 /nfs/dbraw/zinc/67/98/76/384679876.db2.gz FVAGIQVBWDTERV-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1nc(C[N@@H+](C)CCC2CCCCC2)no1 ZINC000101565852 384679881 /nfs/dbraw/zinc/67/98/81/384679881.db2.gz FVAGIQVBWDTERV-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000171947723 384681256 /nfs/dbraw/zinc/68/12/56/384681256.db2.gz POZCHKNIYDRDDX-SNVBAGLBSA-N 1 2 239.363 2.845 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000171947723 384681263 /nfs/dbraw/zinc/68/12/63/384681263.db2.gz POZCHKNIYDRDDX-SNVBAGLBSA-N 1 2 239.363 2.845 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1Cn1ccccc1=O ZINC000334934853 384691936 /nfs/dbraw/zinc/69/19/36/384691936.db2.gz NNBMUOSCJKAHGH-UHFFFAOYSA-N 1 2 242.322 2.723 20 0 BFADLO c1ccc2[nH+]c(NC[C@H]3CCCO3)ccc2c1 ZINC000021818416 384698086 /nfs/dbraw/zinc/69/80/86/384698086.db2.gz YXFHDYRZUBPHNG-GFCCVEGCSA-N 1 2 228.295 2.826 20 0 BFADLO C[C@@H]1Cc2ccccc2N(Cc2[nH+]ccn2C)C1 ZINC000104720737 384712090 /nfs/dbraw/zinc/71/20/90/384712090.db2.gz RXIZOVIBTMTLSS-GFCCVEGCSA-N 1 2 241.338 2.619 20 0 BFADLO c1cn(CCCSC2CCCC2)c[nH+]1 ZINC000185397807 384716706 /nfs/dbraw/zinc/71/67/06/384716706.db2.gz JKSMLASSJKKAIR-UHFFFAOYSA-N 1 2 210.346 2.949 20 0 BFADLO C[C@@H](NC(=O)CC1(C)CCCCC1)c1[nH]cc[nH+]1 ZINC000557050030 384775688 /nfs/dbraw/zinc/77/56/88/384775688.db2.gz ZZAPIJBHZGRETG-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cccc(C)c2F)n1 ZINC000449279316 384743809 /nfs/dbraw/zinc/74/38/09/384743809.db2.gz PIRAWKYITUNVIH-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1ccc(NCc2cncs2)c(C)[nH+]1 ZINC000087151877 384744285 /nfs/dbraw/zinc/74/42/85/384744285.db2.gz DFXFTQXZZCTVKA-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000449890956 384779500 /nfs/dbraw/zinc/77/95/00/384779500.db2.gz IPGBJXPNDPYZRH-XHDPSFHLSA-N 1 2 246.354 2.831 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000300992330 384764886 /nfs/dbraw/zinc/76/48/86/384764886.db2.gz LTWNIQDRDXVRAL-SNVBAGLBSA-N 1 2 208.305 2.615 20 0 BFADLO COc1cc[nH+]cc1NC/C=C/c1ccncc1 ZINC000487554052 533090241 /nfs/dbraw/zinc/09/02/41/533090241.db2.gz CVODAXUGKCXSAK-NSCUHMNNSA-N 1 2 241.294 2.611 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@]2(C)CCCO2)c[nH+]1 ZINC000309762174 384811557 /nfs/dbraw/zinc/81/15/57/384811557.db2.gz IYJGMBWVKGTEME-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO Cn1cnc(C[NH2+]C(C)(C)c2ccccc2F)c1 ZINC000644442646 384878435 /nfs/dbraw/zinc/87/84/35/384878435.db2.gz MJDPETJKOCLCHY-UHFFFAOYSA-N 1 2 247.317 2.584 20 0 BFADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)cc1F ZINC000054764288 384848863 /nfs/dbraw/zinc/84/88/63/384848863.db2.gz RIONIMYMQDQXEC-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[N@H+](Cc1ncc(Cl)s1)C1CCC1 ZINC000306284058 384849573 /nfs/dbraw/zinc/84/95/73/384849573.db2.gz JDLCEVVBPALELK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO C[N@@H+](Cc1ncc(Cl)s1)C1CCC1 ZINC000306284058 384849586 /nfs/dbraw/zinc/84/95/86/384849586.db2.gz JDLCEVVBPALELK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000647200418 384889153 /nfs/dbraw/zinc/88/91/53/384889153.db2.gz GBYTZBSFRBRKKZ-GWCFXTLKSA-N 1 2 232.327 2.550 20 0 BFADLO CC1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000119699725 384955427 /nfs/dbraw/zinc/95/54/27/384955427.db2.gz FMHFHOLYVSSLJU-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO CC(C)c1nc(N2CCC(C)CC2)cc[nH+]1 ZINC000106462049 384917307 /nfs/dbraw/zinc/91/73/07/384917307.db2.gz PSBVNFJGJDHERQ-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CCCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000106461919 384917592 /nfs/dbraw/zinc/91/75/92/384917592.db2.gz XZDSNQVHAXOOLE-UHFFFAOYSA-N 1 2 207.321 2.836 20 0 BFADLO Cc1cccc(CC[N@@H+]2CCC[C@@H]2C(F)F)n1 ZINC000566163095 384918242 /nfs/dbraw/zinc/91/82/42/384918242.db2.gz VLDKFHUCNNVWPA-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(CC[N@H+]2CCC[C@@H]2C(F)F)n1 ZINC000566163095 384918245 /nfs/dbraw/zinc/91/82/45/384918245.db2.gz VLDKFHUCNNVWPA-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(Cl)cc1NCc1c[nH+]cn1C ZINC000085167633 384923737 /nfs/dbraw/zinc/92/37/37/384923737.db2.gz WOOZNAPNZNWTBL-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO COCc1ccc(CNc2ccc(C)[nH+]c2)o1 ZINC000128034672 384926019 /nfs/dbraw/zinc/92/60/19/384926019.db2.gz CGVRFQGAOCLCEH-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO CS[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000128829884 384965839 /nfs/dbraw/zinc/96/58/39/384965839.db2.gz UMWMEKHZNNFTLD-QMMMGPOBSA-N 1 2 223.345 2.517 20 0 BFADLO CS[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000128858118 384966566 /nfs/dbraw/zinc/96/65/66/384966566.db2.gz PLSKRVNOXMPTCK-VIFPVBQESA-N 1 2 237.372 2.826 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(C3CCC3)no2)c1 ZINC000644565023 384971766 /nfs/dbraw/zinc/97/17/66/384971766.db2.gz YIJOTYRIEBQYDE-UHFFFAOYSA-N 1 2 243.310 2.826 20 0 BFADLO Cc1nc(C[NH2+][C@H](c2ccccc2)C2CC2)no1 ZINC000128076804 384989647 /nfs/dbraw/zinc/98/96/47/384989647.db2.gz KVMMLVDFAWUEKR-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164938036 385056187 /nfs/dbraw/zinc/05/61/87/385056187.db2.gz DZPIAHXGNDZQQV-VXGBXAGGSA-N 1 2 236.359 2.896 20 0 BFADLO FC1(F)CCC[C@H]1CNc1cccc[nH+]1 ZINC000336232746 385058516 /nfs/dbraw/zinc/05/85/16/385058516.db2.gz OFIGGHYIUPYRAD-VIFPVBQESA-N 1 2 212.243 2.929 20 0 BFADLO Cc1ccc(CNc2ccc(N(C)C)c[nH+]2)o1 ZINC000150905528 385073247 /nfs/dbraw/zinc/07/32/47/385073247.db2.gz SKPFEQWFTMNXTM-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@@H]([NH2+]c1ccc(OC2COC2)cc1)C1CC1 ZINC000188653193 385073315 /nfs/dbraw/zinc/07/33/15/385073315.db2.gz VEBKTDKWOASUGE-SNVBAGLBSA-N 1 2 233.311 2.675 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC000188663812 385076410 /nfs/dbraw/zinc/07/64/10/385076410.db2.gz GLNFRUYZOCUVGE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC000188663812 385076416 /nfs/dbraw/zinc/07/64/16/385076416.db2.gz GLNFRUYZOCUVGE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(NC(=O)CSC(C)C)c(C)[nH+]1 ZINC000530795622 385082403 /nfs/dbraw/zinc/08/24/03/385082403.db2.gz PREYYHZHISZGRB-UHFFFAOYSA-N 1 2 238.356 2.779 20 0 BFADLO Clc1ncc(C[N@@H+]2CCCSCC2)s1 ZINC000086776579 385046175 /nfs/dbraw/zinc/04/61/75/385046175.db2.gz FDHGJCDAPDLQAI-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Clc1ncc(C[N@H+]2CCCSCC2)s1 ZINC000086776579 385046180 /nfs/dbraw/zinc/04/61/80/385046180.db2.gz FDHGJCDAPDLQAI-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Cc1ccc(N[C@H](C)c2nccnc2C)c[nH+]1 ZINC000188359181 385046009 /nfs/dbraw/zinc/04/60/09/385046009.db2.gz FVJHPUURYMQIMC-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO CCc1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000189115529 385124631 /nfs/dbraw/zinc/12/46/31/385124631.db2.gz OXSSSVNUSFXJRF-UHFFFAOYSA-N 1 2 216.284 2.689 20 0 BFADLO Nc1ccc(NC(=O)CC2CCCCC2)c[nH+]1 ZINC000061680566 385131409 /nfs/dbraw/zinc/13/14/09/385131409.db2.gz WGOFNJUUQVYMNB-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716740 385133276 /nfs/dbraw/zinc/13/32/76/385133276.db2.gz ROZCJPVXEKETBD-NEPJUHHUSA-N 1 2 239.265 2.597 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716740 385133278 /nfs/dbraw/zinc/13/32/78/385133278.db2.gz ROZCJPVXEKETBD-NEPJUHHUSA-N 1 2 239.265 2.597 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644717060 385136549 /nfs/dbraw/zinc/13/65/49/385136549.db2.gz NIPRCTZWQNSADX-CVEARBPZSA-N 1 2 243.350 2.927 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644717060 385136554 /nfs/dbraw/zinc/13/65/54/385136554.db2.gz NIPRCTZWQNSADX-CVEARBPZSA-N 1 2 243.350 2.927 20 0 BFADLO CC(C)c1nc(C[NH+]2C3CCCC2CCC3)n[nH]1 ZINC000644669766 385086360 /nfs/dbraw/zinc/08/63/60/385086360.db2.gz LBFCBUJVNBVBSZ-UHFFFAOYSA-N 1 2 248.374 2.835 20 0 BFADLO CCCC[N@@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000189284211 385140492 /nfs/dbraw/zinc/14/04/92/385140492.db2.gz HOKJUXHEXFKIPX-NSHDSACASA-N 1 2 240.372 2.625 20 0 BFADLO CCCC[N@H+]1CCOC[C@H]1c1nc(C)cs1 ZINC000189284211 385140498 /nfs/dbraw/zinc/14/04/98/385140498.db2.gz HOKJUXHEXFKIPX-NSHDSACASA-N 1 2 240.372 2.625 20 0 BFADLO CCC[C@@](C)([NH2+]CCc1ccccc1)C(=O)OC ZINC000109802020 385189909 /nfs/dbraw/zinc/18/99/09/385189909.db2.gz QVOQJNLQLKDVSK-OAHLLOKOSA-N 1 2 249.354 2.551 20 0 BFADLO CC[N@H+](CC[C@@H](C)O)c1ccccc1C ZINC000044123967 385194394 /nfs/dbraw/zinc/19/43/94/385194394.db2.gz FOXSREIQNJDZEB-GFCCVEGCSA-N 1 2 207.317 2.592 20 0 BFADLO CC[N@@H+](CC[C@@H](C)O)c1ccccc1C ZINC000044123967 385194397 /nfs/dbraw/zinc/19/43/97/385194397.db2.gz FOXSREIQNJDZEB-GFCCVEGCSA-N 1 2 207.317 2.592 20 0 BFADLO CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000152187091 385161941 /nfs/dbraw/zinc/16/19/41/385161941.db2.gz UVCBYLZEVOEDAC-UHFFFAOYSA-N 1 2 233.315 2.715 20 0 BFADLO Cc1ccc(Cc2nc(CC(C)C)no2)c[nH+]1 ZINC000109562140 385176315 /nfs/dbraw/zinc/17/63/15/385176315.db2.gz MSBYKQQJYIRHNY-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO C[C@@H]1C[C@H](CCNc2cccc[nH+]2)CCO1 ZINC000273180755 385218711 /nfs/dbraw/zinc/21/87/11/385218711.db2.gz PZAWBRFJSDYXRR-VXGBXAGGSA-N 1 2 220.316 2.699 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000130135598 385223087 /nfs/dbraw/zinc/22/30/87/385223087.db2.gz JWLBNKWIVLWTFP-VIFPVBQESA-N 1 2 241.404 2.728 20 0 BFADLO CC[C@@H](COC)Nc1ccc([NH+](C)C)c(C)c1 ZINC000153440690 385253705 /nfs/dbraw/zinc/25/37/05/385253705.db2.gz NMQJWIGCBRLVKW-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO CC[C@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000308964807 385315802 /nfs/dbraw/zinc/31/58/02/385315802.db2.gz URHBWUZQRGRJES-NSHDSACASA-N 1 2 228.723 2.616 20 0 BFADLO COC(C)(C)CNc1[nH+]ccc(C)c1Cl ZINC000308964276 385317169 /nfs/dbraw/zinc/31/71/69/385317169.db2.gz UHDNGHGWBODRMY-UHFFFAOYSA-N 1 2 228.723 2.880 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000190789563 385263715 /nfs/dbraw/zinc/26/37/15/385263715.db2.gz QUPSBIFPFSBUIV-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1csc(C[NH+]2Cc3ccccc3C2)n1 ZINC000130645104 385272165 /nfs/dbraw/zinc/27/21/65/385272165.db2.gz OGGBXBDIJCQQCN-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CCOc1ccccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294167123 385340469 /nfs/dbraw/zinc/34/04/69/385340469.db2.gz RCGKERBSVAONDF-LBPRGKRZSA-N 1 2 243.310 2.839 20 0 BFADLO FCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000280601790 385341983 /nfs/dbraw/zinc/34/19/83/385341983.db2.gz CKGIYLAONSVMKY-UHFFFAOYSA-N 1 2 242.344 2.931 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCCC[C@H]2C(C)C)c[nH+]1 ZINC000407998045 385344128 /nfs/dbraw/zinc/34/41/28/385344128.db2.gz QHYOXVFFRIPBAH-RYUDHWBXSA-N 1 2 249.358 2.663 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)C1CCC1 ZINC000131758097 385357330 /nfs/dbraw/zinc/35/73/30/385357330.db2.gz SBEPTXJXWJJREK-UHFFFAOYSA-N 1 2 248.326 2.998 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccco1)c1ccon1 ZINC000309022302 385364690 /nfs/dbraw/zinc/36/46/90/385364690.db2.gz XXHDLJQNTGPPHT-RKDXNWHRSA-N 1 2 206.245 2.679 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000179153480 385371434 /nfs/dbraw/zinc/37/14/34/385371434.db2.gz MCWSNEUNNKALKB-RISCZKNCSA-N 1 2 247.338 2.679 20 0 BFADLO CC[C@@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000192850773 385374251 /nfs/dbraw/zinc/37/42/51/385374251.db2.gz HCJSJPPDYQMMCL-TZMCWYRMSA-N 1 2 249.354 2.640 20 0 BFADLO CCC[C@H](C[NH2+][C@H](C)C(=O)OC)c1ccccc1 ZINC000193097481 385384977 /nfs/dbraw/zinc/38/49/77/385384977.db2.gz QHFRZFZKEDHXIW-TZMCWYRMSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1nnc(C[NH2+]C2(c3ccccc3)CCC2)o1 ZINC000170907510 385455014 /nfs/dbraw/zinc/45/50/14/385455014.db2.gz KSOVNHONGJECFQ-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO Cn1c[nH+]cc1CN1CCc2c1cccc2Cl ZINC000156094757 385435541 /nfs/dbraw/zinc/43/55/41/385435541.db2.gz PGOHNFZYEGCEHJ-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO CC(C)(C)C[C@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000307845180 385480193 /nfs/dbraw/zinc/48/01/93/385480193.db2.gz JXKBYIJUDYQSCF-CYBMUJFWSA-N 1 2 248.370 2.836 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H](C)O1 ZINC000110598607 385495762 /nfs/dbraw/zinc/49/57/62/385495762.db2.gz OTRVUPVDFXMHFN-RYUDHWBXSA-N 1 2 249.358 2.604 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC=CCC1 ZINC000179869681 385495937 /nfs/dbraw/zinc/49/59/37/385495937.db2.gz VSDGYFINMJEUHV-NSHDSACASA-N 1 2 231.299 2.620 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000336489050 385498684 /nfs/dbraw/zinc/49/86/84/385498684.db2.gz KTJLMNOEECJLCQ-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000336489050 385498689 /nfs/dbraw/zinc/49/86/89/385498689.db2.gz KTJLMNOEECJLCQ-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO Cc1cc[nH+]c(NCCCCCO)c1Cl ZINC000309247552 385498673 /nfs/dbraw/zinc/49/86/73/385498673.db2.gz ZLXWUWDAIJTIQC-UHFFFAOYSA-N 1 2 228.723 2.618 20 0 BFADLO CC(C)[C@H]([NH2+][C@H]1CCCOCC1)C(F)(F)F ZINC000309322759 385533156 /nfs/dbraw/zinc/53/31/56/385533156.db2.gz FNCXJKLGVADTNI-UWVGGRQHSA-N 1 2 239.281 2.732 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000172860823 385538366 /nfs/dbraw/zinc/53/83/66/385538366.db2.gz LVWJPBJNAHVVNK-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000172860823 385538369 /nfs/dbraw/zinc/53/83/69/385538369.db2.gz LVWJPBJNAHVVNK-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)C(C)C ZINC000171976788 385539328 /nfs/dbraw/zinc/53/93/28/385539328.db2.gz VRTPJTHLNNTSHI-SNVBAGLBSA-N 1 2 206.289 2.621 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000172012684 385540677 /nfs/dbraw/zinc/54/06/77/385540677.db2.gz DKUHQTNKFPMQCJ-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000172012684 385540680 /nfs/dbraw/zinc/54/06/80/385540680.db2.gz DKUHQTNKFPMQCJ-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CC(C)c1nc(N[C@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000309309581 385525985 /nfs/dbraw/zinc/52/59/85/385525985.db2.gz BPBWRHOGZGRXNN-IAZYJMLFSA-N 1 2 217.316 2.810 20 0 BFADLO CC(C)[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(F)(F)F ZINC000309384706 385558546 /nfs/dbraw/zinc/55/85/46/385558546.db2.gz SNAHLBACZIJVLF-UTLUCORTSA-N 1 2 239.281 2.588 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)c(C)n1 ZINC000107293575 385561971 /nfs/dbraw/zinc/56/19/71/385561971.db2.gz KMCJRFANLDBGEU-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)no1 ZINC000181104137 385563655 /nfs/dbraw/zinc/56/36/55/385563655.db2.gz MMXODAZFAKLBDY-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccn2C)no1 ZINC000181104137 385563656 /nfs/dbraw/zinc/56/36/56/385563656.db2.gz MMXODAZFAKLBDY-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000181366241 385573588 /nfs/dbraw/zinc/57/35/88/385573588.db2.gz RRXUBMVFLNGYOV-LLVKDONJSA-N 1 2 216.284 2.834 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccc(O)c2)oc1C ZINC000181566488 385584280 /nfs/dbraw/zinc/58/42/80/385584280.db2.gz XTFLCQMCNPEQCT-SNVBAGLBSA-N 1 2 246.310 2.848 20 0 BFADLO CCCCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280927930 385620227 /nfs/dbraw/zinc/62/02/27/385620227.db2.gz GWHLSJPDFSVUKX-UHFFFAOYSA-N 1 2 246.314 2.646 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000598642481 385624037 /nfs/dbraw/zinc/62/40/37/385624037.db2.gz RYRKCCZTVOVOJD-SNVBAGLBSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000598642481 385624042 /nfs/dbraw/zinc/62/40/42/385624042.db2.gz RYRKCCZTVOVOJD-SNVBAGLBSA-N 1 2 235.331 2.712 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC=C(C)C1 ZINC000280817353 385607940 /nfs/dbraw/zinc/60/79/40/385607940.db2.gz MYLHKVOQKPTWGM-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CCC=C(C)C1 ZINC000280817353 385607945 /nfs/dbraw/zinc/60/79/45/385607945.db2.gz MYLHKVOQKPTWGM-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO c1cc(OCc2noc3c2CCCC3)cc[nH+]1 ZINC000644869679 385608758 /nfs/dbraw/zinc/60/87/58/385608758.db2.gz KPXZKVNWAOZRKY-UHFFFAOYSA-N 1 2 230.267 2.527 20 0 BFADLO F[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309546350 385682356 /nfs/dbraw/zinc/68/23/56/385682356.db2.gz BVHKPEIDDVLEKX-NXEZZACHSA-N 1 2 221.279 2.657 20 0 BFADLO CCC[C@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000340025755 385684377 /nfs/dbraw/zinc/68/43/77/385684377.db2.gz UNZWYNCZGQRVOZ-NSHDSACASA-N 1 2 248.374 2.923 20 0 BFADLO CCC[C@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000340025755 385684383 /nfs/dbraw/zinc/68/43/83/385684383.db2.gz UNZWYNCZGQRVOZ-NSHDSACASA-N 1 2 248.374 2.923 20 0 BFADLO C[C@H]1COCC[N@@H+]1CCSc1cccs1 ZINC000188298310 385685570 /nfs/dbraw/zinc/68/55/70/385685570.db2.gz YYVOHDPLVJZTKX-JTQLQIEISA-N 1 2 243.397 2.561 20 0 BFADLO C[C@H]1COCC[N@H+]1CCSc1cccs1 ZINC000188298310 385685575 /nfs/dbraw/zinc/68/55/75/385685575.db2.gz YYVOHDPLVJZTKX-JTQLQIEISA-N 1 2 243.397 2.561 20 0 BFADLO CC[C@H](Nc1cccc(OC)c1)c1[nH+]ccn1C ZINC000182657857 385691795 /nfs/dbraw/zinc/69/17/95/385691795.db2.gz BRRMHEBEMBURLK-ZDUSSCGKSA-N 1 2 245.326 2.992 20 0 BFADLO CCO[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C12CCC2 ZINC000337556916 385701784 /nfs/dbraw/zinc/70/17/84/385701784.db2.gz SBEZQSXBPIJILH-VHSXEESVSA-N 1 2 245.313 2.721 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2ccon2)CC1 ZINC000270388350 385704146 /nfs/dbraw/zinc/70/41/46/385704146.db2.gz RRSUTLBRRZIMLS-UHFFFAOYSA-N 1 2 220.316 2.853 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2ccon2)CC1 ZINC000270388350 385704149 /nfs/dbraw/zinc/70/41/49/385704149.db2.gz RRSUTLBRRZIMLS-UHFFFAOYSA-N 1 2 220.316 2.853 20 0 BFADLO Cn1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000270857863 385754265 /nfs/dbraw/zinc/75/42/65/385754265.db2.gz ZGZKAEURFRNOFR-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000270857863 385754269 /nfs/dbraw/zinc/75/42/69/385754269.db2.gz ZGZKAEURFRNOFR-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000270986454 385766351 /nfs/dbraw/zinc/76/63/51/385766351.db2.gz FYGWMCJANHJWDP-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1ccoc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000270986454 385766357 /nfs/dbraw/zinc/76/63/57/385766357.db2.gz FYGWMCJANHJWDP-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000271029802 385771579 /nfs/dbraw/zinc/77/15/79/385771579.db2.gz GETBOOISRFLUHE-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000271029802 385771584 /nfs/dbraw/zinc/77/15/84/385771584.db2.gz GETBOOISRFLUHE-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccsc1 ZINC000282556573 385771692 /nfs/dbraw/zinc/77/16/92/385771692.db2.gz SZZHUOYYVNMIEX-QMMMGPOBSA-N 1 2 248.355 2.594 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCCSCC1 ZINC000270608397 385722527 /nfs/dbraw/zinc/72/25/27/385722527.db2.gz XNQWXGTUJHLKIK-UHFFFAOYSA-N 1 2 247.367 2.517 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@@H](C)C(C)C)c1[nH]cc[nH+]1 ZINC000283014683 385803168 /nfs/dbraw/zinc/80/31/68/385803168.db2.gz NEKLTNDURIXMBG-WDEREUQCSA-N 1 2 237.347 2.515 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1C[C@@H]1C(C)C)c1[nH]cc[nH+]1 ZINC000283037946 385805100 /nfs/dbraw/zinc/80/51/00/385805100.db2.gz PBWGYDPPIKGICE-WOPDTQHZSA-N 1 2 249.358 2.515 20 0 BFADLO CC[C@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000336740606 385816668 /nfs/dbraw/zinc/81/66/68/385816668.db2.gz UKWAYMYJTRBOTP-VIFPVBQESA-N 1 2 228.723 2.616 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nccs1 ZINC000271442313 385828610 /nfs/dbraw/zinc/82/86/10/385828610.db2.gz CJTZTZLZDORVNB-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1nccs1 ZINC000271442313 385828611 /nfs/dbraw/zinc/82/86/11/385828611.db2.gz CJTZTZLZDORVNB-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO CCOCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000070979946 385840877 /nfs/dbraw/zinc/84/08/77/385840877.db2.gz HVSMEMIRRLRHKP-UHFFFAOYSA-N 1 2 245.725 2.947 20 0 BFADLO CCOCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000070979946 385840878 /nfs/dbraw/zinc/84/08/78/385840878.db2.gz HVSMEMIRRLRHKP-UHFFFAOYSA-N 1 2 245.725 2.947 20 0 BFADLO CCCCN(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000283966466 385842426 /nfs/dbraw/zinc/84/24/26/385842426.db2.gz LVBLMWKGDCLJCP-UHFFFAOYSA-N 1 2 246.314 2.598 20 0 BFADLO FC1=CCC[N@H+](CCOc2ccccc2)C1 ZINC000271638573 385842716 /nfs/dbraw/zinc/84/27/16/385842716.db2.gz PFQJZKGHSQTDQB-UHFFFAOYSA-N 1 2 221.275 2.625 20 0 BFADLO FC1=CCC[N@@H+](CCOc2ccccc2)C1 ZINC000271638573 385842719 /nfs/dbraw/zinc/84/27/19/385842719.db2.gz PFQJZKGHSQTDQB-UHFFFAOYSA-N 1 2 221.275 2.625 20 0 BFADLO c1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[C@@H]31)CCCC2 ZINC000644836727 385844661 /nfs/dbraw/zinc/84/46/61/385844661.db2.gz BZDVNAYXLPBUEQ-JKSUJKDBSA-N 1 2 243.350 2.539 20 0 BFADLO c1cc2c(cc1C[N@H+]1CCO[C@@H]3C[C@@H]31)CCCC2 ZINC000644836727 385844666 /nfs/dbraw/zinc/84/46/66/385844666.db2.gz BZDVNAYXLPBUEQ-JKSUJKDBSA-N 1 2 243.350 2.539 20 0 BFADLO CC1(C)CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284184119 385855050 /nfs/dbraw/zinc/85/50/50/385855050.db2.gz YMNCKLPTPMOZFG-ONEGZZNKSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2C[C@H](O)C2(C)C)c1Cl ZINC000309688705 385791208 /nfs/dbraw/zinc/79/12/08/385791208.db2.gz IHQXBLVYDNFJJV-IUCAKERBSA-N 1 2 240.734 2.615 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2C[C@@H](O)C2(C)C)c1Cl ZINC000309688704 385792935 /nfs/dbraw/zinc/79/29/35/385792935.db2.gz IHQXBLVYDNFJJV-DTWKUNHWSA-N 1 2 240.734 2.615 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)ccc1F ZINC000271167783 385796620 /nfs/dbraw/zinc/79/66/20/385796620.db2.gz CUCCUHBNMZIAQA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)ccc1F ZINC000271167783 385796629 /nfs/dbraw/zinc/79/66/29/385796629.db2.gz CUCCUHBNMZIAQA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO c1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC000647844606 385895376 /nfs/dbraw/zinc/89/53/76/385895376.db2.gz NDWRIWNLGGTSCZ-UHFFFAOYSA-N 1 2 240.306 2.585 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)C(C)(F)F)c(C)[nH+]1 ZINC000294900493 385911838 /nfs/dbraw/zinc/91/18/38/385911838.db2.gz JFYLMTBGMSNDAD-MRVPVSSYSA-N 1 2 242.269 2.928 20 0 BFADLO Cc1ccccc1C[NH2+]Cc1nn(C)cc1Cl ZINC000393412482 385913344 /nfs/dbraw/zinc/91/33/44/385913344.db2.gz KNZRTPBMKXVDLT-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO Cc1nc(CC[N@@H+]2CCC=C(F)C2)cs1 ZINC000272559464 385913812 /nfs/dbraw/zinc/91/38/12/385913812.db2.gz UEXMUMHHSJZYRK-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO Cc1nc(CC[N@H+]2CCC=C(F)C2)cs1 ZINC000272559464 385913817 /nfs/dbraw/zinc/91/38/17/385913817.db2.gz UEXMUMHHSJZYRK-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO C[C@@]1(F)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000294916993 385917062 /nfs/dbraw/zinc/91/70/62/385917062.db2.gz JPCYPUYKFOSWOQ-CYBMUJFWSA-N 1 2 233.290 2.891 20 0 BFADLO CC(C)CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284392008 385866209 /nfs/dbraw/zinc/86/62/09/385866209.db2.gz MTRDGUFSOQUIRK-AATRIKPKSA-N 1 2 249.358 2.611 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000272059702 385871787 /nfs/dbraw/zinc/87/17/87/385871787.db2.gz RWKDSRQDZZKTIW-BXUZGUMPSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1cc(NCCC2=CCCC2)nc(C2CC2)[nH+]1 ZINC000338045769 385881512 /nfs/dbraw/zinc/88/15/12/385881512.db2.gz PJQXORFLQGBGHV-UHFFFAOYSA-N 1 2 243.354 2.997 20 0 BFADLO C[C@H](CN(C)c1cccc[nH+]1)c1nccs1 ZINC000273228332 385979094 /nfs/dbraw/zinc/97/90/94/385979094.db2.gz VXIQAVMWQVHHII-SNVBAGLBSA-N 1 2 233.340 2.778 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414133447 385981831 /nfs/dbraw/zinc/98/18/31/385981831.db2.gz GUQLCHXGTVYBQB-LLVKDONJSA-N 1 2 245.326 2.582 20 0 BFADLO Cn1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)c1 ZINC000334321101 385985946 /nfs/dbraw/zinc/98/59/46/385985946.db2.gz HNMDVLVRQQWEKY-NSHDSACASA-N 1 2 228.286 2.645 20 0 BFADLO Cn1ccc(C[N@H+]2CCCC[C@H]2C(F)F)c1 ZINC000334321101 385985949 /nfs/dbraw/zinc/98/59/49/385985949.db2.gz HNMDVLVRQQWEKY-NSHDSACASA-N 1 2 228.286 2.645 20 0 BFADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000285633409 385951293 /nfs/dbraw/zinc/95/12/93/385951293.db2.gz LLLSEZKZYMHMNS-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000285633409 385951298 /nfs/dbraw/zinc/95/12/98/385951298.db2.gz LLLSEZKZYMHMNS-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCO1 ZINC000335052657 385951739 /nfs/dbraw/zinc/95/17/39/385951739.db2.gz FMPMRTNLMSCRGV-HZMBPMFUSA-N 1 2 232.327 2.634 20 0 BFADLO c1cc([NH2+][C@@H]2CCCSC2)cc2c1NCC2 ZINC000335052732 385951766 /nfs/dbraw/zinc/95/17/66/385951766.db2.gz HGJRIBIYHKFBPX-GFCCVEGCSA-N 1 2 234.368 2.962 20 0 BFADLO c1cc(N[C@@H]2CCCSC2)cc2c1[NH2+]CC2 ZINC000335052732 385951769 /nfs/dbraw/zinc/95/17/69/385951769.db2.gz HGJRIBIYHKFBPX-GFCCVEGCSA-N 1 2 234.368 2.962 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000335057629 385958038 /nfs/dbraw/zinc/95/80/38/385958038.db2.gz KEYPVUDPRKMELA-ZWNOBZJWSA-N 1 2 246.354 2.751 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000295088866 385962837 /nfs/dbraw/zinc/96/28/37/385962837.db2.gz SXAFOJDTXHISNF-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000295088866 385962842 /nfs/dbraw/zinc/96/28/42/385962842.db2.gz SXAFOJDTXHISNF-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO CC[C@H](F)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000336746899 385965640 /nfs/dbraw/zinc/96/56/40/385965640.db2.gz WYVBHQSZANNLKA-SFYZADRCSA-N 1 2 232.249 2.759 20 0 BFADLO Cc1cc[nH+]c(N[C@H](C)CCCO)c1Cl ZINC000336769811 386005081 /nfs/dbraw/zinc/00/50/81/386005081.db2.gz VXASEVAZCZUXNR-SECBINFHSA-N 1 2 228.723 2.616 20 0 BFADLO CC(C)CCCNc1ccc(N2CCCC2)c[nH+]1 ZINC000338458606 386009405 /nfs/dbraw/zinc/00/94/05/386009405.db2.gz XPIARLPIWCVPJE-UHFFFAOYSA-N 1 2 247.386 2.952 20 0 BFADLO Cc1nc(N2CC3(CC=CC3)[C@H]2C(C)C)cc[nH+]1 ZINC000645387742 386010043 /nfs/dbraw/zinc/01/00/43/386010043.db2.gz QIVUSIULMHITBJ-CQSZACIVSA-N 1 2 243.354 2.966 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccon1 ZINC000336752005 386013370 /nfs/dbraw/zinc/01/33/70/386013370.db2.gz GUEDWMWVHXSZBM-SFYZADRCSA-N 1 2 223.301 2.543 20 0 BFADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414169480 386015734 /nfs/dbraw/zinc/01/57/34/386015734.db2.gz VOBUHJBHUBLRAZ-GTDKDYCYSA-N 1 2 221.266 2.961 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccsc2C)no1 ZINC000295353548 386017466 /nfs/dbraw/zinc/01/74/66/386017466.db2.gz NHWUDDPEYDREKE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccsc2C)no1 ZINC000295353548 386017471 /nfs/dbraw/zinc/01/74/71/386017471.db2.gz NHWUDDPEYDREKE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC(C)[C@H](N[C@H](C)c1[nH+]ccn1C)C(F)(F)F ZINC000345164727 386024803 /nfs/dbraw/zinc/02/48/03/386024803.db2.gz XHHMAYFBKWXJIG-BDAKNGLRSA-N 1 2 249.280 2.658 20 0 BFADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1cccc(C2CC2)c1 ZINC000295402225 386027324 /nfs/dbraw/zinc/02/73/24/386027324.db2.gz MDVBNISPEGJSHY-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+]Cc1c[nH]nn1)c1cccc(C2CC2)c1 ZINC000295402225 386027331 /nfs/dbraw/zinc/02/73/31/386027331.db2.gz MDVBNISPEGJSHY-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+]Cc1cn[nH]n1)c1cccc(C2CC2)c1 ZINC000295402225 386027337 /nfs/dbraw/zinc/02/73/37/386027337.db2.gz MDVBNISPEGJSHY-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO CCSCCSc1[nH+]cnc2[nH]ccc21 ZINC000273716214 386027865 /nfs/dbraw/zinc/02/78/65/386027865.db2.gz GDLNSWLGLSXENA-UHFFFAOYSA-N 1 2 239.369 2.803 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000334431914 386033910 /nfs/dbraw/zinc/03/39/10/386033910.db2.gz WLYFBEJGXFZVEG-ZJUUUORDSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000334431914 386033914 /nfs/dbraw/zinc/03/39/14/386033914.db2.gz WLYFBEJGXFZVEG-ZJUUUORDSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1cnc(CNc2c[nH+]ccc2C)s1 ZINC000295608673 386042060 /nfs/dbraw/zinc/04/20/60/386042060.db2.gz GEHBWCRECFWIOY-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1ccoc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000335076361 386044330 /nfs/dbraw/zinc/04/43/30/386044330.db2.gz XHSPDFHNFXZTFH-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO O=C(C1CCCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334437875 386044380 /nfs/dbraw/zinc/04/43/80/386044380.db2.gz ITIIAFRRRPKVHJ-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC3CCC2CC3)cc[nH+]1 ZINC000340232967 386049952 /nfs/dbraw/zinc/04/99/52/386049952.db2.gz VRHOQIMYAYORHI-ORHYLEIMSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)C(C)(C)C)cc[nH+]1 ZINC000340232948 386050042 /nfs/dbraw/zinc/05/00/42/386050042.db2.gz VFDVGHWRIYLUFC-UHFFFAOYSA-N 1 2 234.343 2.823 20 0 BFADLO Fc1cc(C[N@@H+]2CCCC3(CC3)C2)c(F)cn1 ZINC000295558947 386053169 /nfs/dbraw/zinc/05/31/69/386053169.db2.gz YXLQNDDXLYVLGR-UHFFFAOYSA-N 1 2 238.281 2.736 20 0 BFADLO Fc1cc(C[N@H+]2CCCC3(CC3)C2)c(F)cn1 ZINC000295558947 386053179 /nfs/dbraw/zinc/05/31/79/386053179.db2.gz YXLQNDDXLYVLGR-UHFFFAOYSA-N 1 2 238.281 2.736 20 0 BFADLO Cc1ccc(Cc2nc([C@@H](C)C3CC3)no2)c[nH+]1 ZINC000273959199 386053744 /nfs/dbraw/zinc/05/37/44/386053744.db2.gz KMELGUDGONAKAW-JTQLQIEISA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)C(F)(F)F ZINC000414146616 385995557 /nfs/dbraw/zinc/99/55/57/385995557.db2.gz VJXALSSJUWEABR-KDXUFGMBSA-N 1 2 209.255 2.961 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000037952737 386105788 /nfs/dbraw/zinc/10/57/88/386105788.db2.gz YTSSOMVSDNQZBG-CYBMUJFWSA-N 1 2 235.327 2.508 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC=C(F)C2)o1 ZINC000274454452 386106001 /nfs/dbraw/zinc/10/60/01/386106001.db2.gz FXKLWNJPHVNCQZ-UHFFFAOYSA-N 1 2 209.264 2.901 20 0 BFADLO CCc1ccc(C[N@H+]2CCC=C(F)C2)o1 ZINC000274454452 386106005 /nfs/dbraw/zinc/10/60/05/386106005.db2.gz FXKLWNJPHVNCQZ-UHFFFAOYSA-N 1 2 209.264 2.901 20 0 BFADLO COc1ccncc1C[N@H+](C)Cc1ccoc1C ZINC000287254178 386106913 /nfs/dbraw/zinc/10/69/13/386106913.db2.gz KLWDMQWVYHTDNS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccncc1C[N@@H+](C)Cc1ccoc1C ZINC000287254178 386106919 /nfs/dbraw/zinc/10/69/19/386106919.db2.gz KLWDMQWVYHTDNS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1ccccc1C[N@@H+]1CCC(F)(F)C1 ZINC000345832435 386120719 /nfs/dbraw/zinc/12/07/19/386120719.db2.gz YNDSTOMJUXDYBP-UHFFFAOYSA-N 1 2 211.255 2.836 20 0 BFADLO Cc1ccccc1C[N@H+]1CCC(F)(F)C1 ZINC000345832435 386120723 /nfs/dbraw/zinc/12/07/23/386120723.db2.gz YNDSTOMJUXDYBP-UHFFFAOYSA-N 1 2 211.255 2.836 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)c1cccc(C)c1)C1CC1 ZINC000234584491 386079224 /nfs/dbraw/zinc/07/92/24/386079224.db2.gz AVRJBDYCADILTB-BXUZGUMPSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1cc(CN2CCn3c[nH+]cc3C2)c(C)s1 ZINC000334450587 386088819 /nfs/dbraw/zinc/08/88/19/386088819.db2.gz RZKFBIMGWTVFSN-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cncc3C2)c(C)s1 ZINC000334450587 386088825 /nfs/dbraw/zinc/08/88/25/386088825.db2.gz RZKFBIMGWTVFSN-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cncc3C2)c(C)s1 ZINC000334450587 386088837 /nfs/dbraw/zinc/08/88/37/386088837.db2.gz RZKFBIMGWTVFSN-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO CCCCCC(=O)OCc1c[nH+]ccc1OC ZINC000287146990 386097131 /nfs/dbraw/zinc/09/71/31/386097131.db2.gz NHLDZHVNWMQGEK-UHFFFAOYSA-N 1 2 237.299 2.714 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC1(C)C ZINC000287423366 386123406 /nfs/dbraw/zinc/12/34/06/386123406.db2.gz GCXMPYNDXNBYBD-SNVBAGLBSA-N 1 2 233.315 2.618 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@](C)(F)C2)s1 ZINC000296204874 386149018 /nfs/dbraw/zinc/14/90/18/386149018.db2.gz ZJJLVXFMWFTALE-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@](C)(F)C2)s1 ZINC000296204874 386149028 /nfs/dbraw/zinc/14/90/28/386149028.db2.gz ZJJLVXFMWFTALE-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)nn1 ZINC000414366088 386152796 /nfs/dbraw/zinc/15/27/96/386152796.db2.gz AYXBCYHNXBJMEQ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ccco2)nn1 ZINC000414366088 386152800 /nfs/dbraw/zinc/15/28/00/386152800.db2.gz AYXBCYHNXBJMEQ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1occc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000414371733 386168564 /nfs/dbraw/zinc/16/85/64/386168564.db2.gz NTUYNTDOMBWKAC-NSHDSACASA-N 1 2 230.311 2.966 20 0 BFADLO Cc1occc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000414371733 386168569 /nfs/dbraw/zinc/16/85/69/386168569.db2.gz NTUYNTDOMBWKAC-NSHDSACASA-N 1 2 230.311 2.966 20 0 BFADLO C[C@@H](CCCCO)Nc1cc[nH+]c2ccncc12 ZINC000296376333 386168892 /nfs/dbraw/zinc/16/88/92/386168892.db2.gz TTYRAKDYTXVGIW-NSHDSACASA-N 1 2 245.326 2.593 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000647930099 386133999 /nfs/dbraw/zinc/13/39/99/386133999.db2.gz PFGVUELRRSRXRG-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1ccc(F)cn1 ZINC000346281560 386189379 /nfs/dbraw/zinc/18/93/79/386189379.db2.gz PTDVPTHDCSYDRR-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1ccc(F)cn1 ZINC000346281560 386189383 /nfs/dbraw/zinc/18/93/83/386189383.db2.gz PTDVPTHDCSYDRR-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296157000 386143685 /nfs/dbraw/zinc/14/36/85/386143685.db2.gz WHNVFDAKKZFGPJ-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000296157000 386143689 /nfs/dbraw/zinc/14/36/89/386143689.db2.gz WHNVFDAKKZFGPJ-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000296837685 386205738 /nfs/dbraw/zinc/20/57/38/386205738.db2.gz HTEDMVDHATXSLB-GUOLPTJISA-N 1 2 247.342 2.674 20 0 BFADLO Cc1cc(C[N@@H+]2CCCc3occc3C2)no1 ZINC000288644007 386225879 /nfs/dbraw/zinc/22/58/79/386225879.db2.gz AUCCHILAOUSBJI-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO Cc1cc(C[N@H+]2CCCc3occc3C2)no1 ZINC000288644007 386225882 /nfs/dbraw/zinc/22/58/82/386225882.db2.gz AUCCHILAOUSBJI-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccncc2)co1 ZINC000647969905 386254559 /nfs/dbraw/zinc/25/45/59/386254559.db2.gz XJICCSLPSFBOFC-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccncc2)co1 ZINC000647969905 386254562 /nfs/dbraw/zinc/25/45/62/386254562.db2.gz XJICCSLPSFBOFC-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)CCCC(C)C)c[nH+]1 ZINC000264652722 386257693 /nfs/dbraw/zinc/25/76/93/386257693.db2.gz GSDLTJAZSWAGIG-JTQLQIEISA-N 1 2 237.347 2.663 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264901373 386282650 /nfs/dbraw/zinc/28/26/50/386282650.db2.gz FMEBUGJZMGIRRN-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccc(C)cc2)c[nH+]1 ZINC000264904244 386282675 /nfs/dbraw/zinc/28/26/75/386282675.db2.gz XUIXTGMKNXSNSP-SNVBAGLBSA-N 1 2 243.310 2.518 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC000645279144 386303793 /nfs/dbraw/zinc/30/37/93/386303793.db2.gz QQBXOFGLWJQHOC-NWDGAFQWSA-N 1 2 249.333 2.777 20 0 BFADLO CCn1c[nH+]cc1CNc1ncccc1Cl ZINC000416428925 386304034 /nfs/dbraw/zinc/30/40/34/386304034.db2.gz SRHUGDULOYGYTD-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CN(c1[nH+]ccc2ccc(F)cc21)[C@H]1CCOC1 ZINC000334483110 386313204 /nfs/dbraw/zinc/31/32/04/386313204.db2.gz XSYFNUPIALCYJD-LBPRGKRZSA-N 1 2 246.285 2.599 20 0 BFADLO CC[C@@H]([NH2+]C[C@@H]1CCSC1)C(F)(F)F ZINC000336670206 386315135 /nfs/dbraw/zinc/31/51/35/386315135.db2.gz YLRKXMRTZDPLTH-JGVFFNPUSA-N 1 2 227.295 2.670 20 0 BFADLO CCCC(=O)CSc1[nH+]cc2ccccn21 ZINC000289530753 386323467 /nfs/dbraw/zinc/32/34/67/386323467.db2.gz BTOJAQGCSYBYIA-UHFFFAOYSA-N 1 2 234.324 2.796 20 0 BFADLO CCC1(CC)C[NH+](Cc2cc(C)on2)C1 ZINC000336655963 386274307 /nfs/dbraw/zinc/27/43/07/386274307.db2.gz JTTTXRRZTTUQPJ-UHFFFAOYSA-N 1 2 208.305 2.605 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000339290614 386343104 /nfs/dbraw/zinc/34/31/04/386343104.db2.gz KXDXZLFGMSUQBJ-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cc(F)ccc1Cl ZINC000339290614 386343105 /nfs/dbraw/zinc/34/31/05/386343105.db2.gz KXDXZLFGMSUQBJ-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1ccc(CSc2ncc[nH]2)c(C)[nH+]1 ZINC000334492182 386351788 /nfs/dbraw/zinc/35/17/88/386351788.db2.gz HLLKOIGGVWYLMN-UHFFFAOYSA-N 1 2 219.313 2.714 20 0 BFADLO CCCc1nc(C[N@H+](C)C(C)(C)CC)no1 ZINC000336689633 386353835 /nfs/dbraw/zinc/35/38/35/386353835.db2.gz ZRDZYRNAHNTZIU-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)C(C)(C)CC)no1 ZINC000336689633 386353840 /nfs/dbraw/zinc/35/38/40/386353840.db2.gz ZRDZYRNAHNTZIU-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H](C(C)C)C2)no1 ZINC000336694288 386368350 /nfs/dbraw/zinc/36/83/50/386368350.db2.gz IYFAEJPAHCPAGK-NSHDSACASA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C(C)C)C2)no1 ZINC000336694288 386368356 /nfs/dbraw/zinc/36/83/56/386368356.db2.gz IYFAEJPAHCPAGK-NSHDSACASA-N 1 2 237.347 2.671 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@](C)(F)C2)cc1F ZINC000347372783 386370799 /nfs/dbraw/zinc/37/07/99/386370799.db2.gz KGZSNMANKWBURX-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@](C)(F)C2)cc1F ZINC000347372783 386370802 /nfs/dbraw/zinc/37/08/02/386370802.db2.gz KGZSNMANKWBURX-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000347383103 386374001 /nfs/dbraw/zinc/37/40/01/386374001.db2.gz NURMLZUWMOQSFG-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000347383103 386374007 /nfs/dbraw/zinc/37/40/07/386374007.db2.gz NURMLZUWMOQSFG-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO CCC[N@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000347395169 386381366 /nfs/dbraw/zinc/38/13/66/386381366.db2.gz CPECWOGJKYYYHU-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO CCC[N@@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000347395169 386381376 /nfs/dbraw/zinc/38/13/76/386381376.db2.gz CPECWOGJKYYYHU-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO Cc1csc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000289664163 386338248 /nfs/dbraw/zinc/33/82/48/386338248.db2.gz FMULMODNPMNQOS-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1csc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)n1 ZINC000289664163 386338253 /nfs/dbraw/zinc/33/82/53/386338253.db2.gz FMULMODNPMNQOS-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000290484255 386444012 /nfs/dbraw/zinc/44/40/12/386444012.db2.gz RCLPIXLIBVSTGU-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2sccc2[C@@H]1C ZINC000290484255 386444017 /nfs/dbraw/zinc/44/40/17/386444017.db2.gz RCLPIXLIBVSTGU-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000290484255 386444024 /nfs/dbraw/zinc/44/40/24/386444024.db2.gz RCLPIXLIBVSTGU-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CCc2sccc2[C@@H]1C ZINC000290484255 386444026 /nfs/dbraw/zinc/44/40/26/386444026.db2.gz RCLPIXLIBVSTGU-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000276924619 386390829 /nfs/dbraw/zinc/39/08/29/386390829.db2.gz LKFJQQUNZMCEOH-XSNHNAGMSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000276924619 386390834 /nfs/dbraw/zinc/39/08/34/386390834.db2.gz LKFJQQUNZMCEOH-XSNHNAGMSA-N 1 2 247.338 2.583 20 0 BFADLO COCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000266108055 386398871 /nfs/dbraw/zinc/39/88/71/386398871.db2.gz JIBSNIBPQVHHJU-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO FC1(F)CC[N@H+](CCCC2CCOCC2)C1 ZINC000347428438 386399396 /nfs/dbraw/zinc/39/93/96/386399396.db2.gz BKISNEWPZHEYEN-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)CC[N@@H+](CCCC2CCOCC2)C1 ZINC000347428438 386399402 /nfs/dbraw/zinc/39/94/02/386399402.db2.gz BKISNEWPZHEYEN-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)nn1C ZINC000336701539 386403214 /nfs/dbraw/zinc/40/32/14/386403214.db2.gz LQWXOAZHFLTNDE-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)nn1C ZINC000336701539 386403217 /nfs/dbraw/zinc/40/32/17/386403217.db2.gz LQWXOAZHFLTNDE-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cocn1 ZINC000290288804 386416659 /nfs/dbraw/zinc/41/66/59/386416659.db2.gz ACVCTDLXTXBOEL-CYBMUJFWSA-N 1 2 231.299 2.653 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cocn1 ZINC000290288804 386416665 /nfs/dbraw/zinc/41/66/65/386416665.db2.gz ACVCTDLXTXBOEL-CYBMUJFWSA-N 1 2 231.299 2.653 20 0 BFADLO Clc1cccc(CN2CCc3[nH+]c[nH]c3C2)c1 ZINC000647933866 386417781 /nfs/dbraw/zinc/41/77/81/386417781.db2.gz INXNIKSRLKTERZ-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccco2)nc1 ZINC000336709024 386419824 /nfs/dbraw/zinc/41/98/24/386419824.db2.gz PLZJRHBMKVHESU-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccco2)nc1 ZINC000336709024 386419830 /nfs/dbraw/zinc/41/98/30/386419830.db2.gz PLZJRHBMKVHESU-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccc2)nc1 ZINC000336717362 386435860 /nfs/dbraw/zinc/43/58/60/386435860.db2.gz SUYXTLCRDLCZAC-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccc2)nc1 ZINC000336717362 386435865 /nfs/dbraw/zinc/43/58/65/386435865.db2.gz SUYXTLCRDLCZAC-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO CC(C)[C@@H]([NH2+][C@H]1CCCOCC1)C(F)(F)F ZINC000336731946 386470416 /nfs/dbraw/zinc/47/04/16/386470416.db2.gz FNCXJKLGVADTNI-VHSXEESVSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1ccc(N(C)Cc2[nH+]ccn2C)cc1C ZINC000299649805 386477383 /nfs/dbraw/zinc/47/73/83/386477383.db2.gz XYGPUCNFTJEFEI-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(F)c(F)c1 ZINC000093326671 386479295 /nfs/dbraw/zinc/47/92/95/386479295.db2.gz IYECFEGBVCNZHX-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)[C@@H]1CCOC1)C(F)(F)F ZINC000336741161 386481631 /nfs/dbraw/zinc/48/16/31/386481631.db2.gz QUMZIVTWJRXKCK-KXUCPTDWSA-N 1 2 239.281 2.732 20 0 BFADLO CCC1(C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000336337949 386485513 /nfs/dbraw/zinc/48/55/13/386485513.db2.gz KRZMPCURKSTMJA-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO c1[nH+]c(SC2CCC2)n2ccccc12 ZINC000339613142 386485592 /nfs/dbraw/zinc/48/55/92/386485592.db2.gz IXRFYLCDXNXQSS-UHFFFAOYSA-N 1 2 204.298 2.979 20 0 BFADLO Cc1ccc(CNc2[nH]c(C(F)(F)F)c[nH+]2)o1 ZINC000290995833 386496266 /nfs/dbraw/zinc/49/62/66/386496266.db2.gz UMLWASVCEYMEAO-UHFFFAOYSA-N 1 2 245.204 2.942 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000339668452 386512057 /nfs/dbraw/zinc/51/20/57/386512057.db2.gz OWEJJPLRVVYUPG-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000339668452 386512063 /nfs/dbraw/zinc/51/20/63/386512063.db2.gz OWEJJPLRVVYUPG-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)C2CCC2)[nH+]1 ZINC000519648963 386517226 /nfs/dbraw/zinc/51/72/26/386517226.db2.gz XPWPNMURFKFWQF-SNVBAGLBSA-N 1 2 249.358 2.506 20 0 BFADLO CCc1csc(=O)n1Cc1ccc(C)[nH+]c1C ZINC000335448773 386517931 /nfs/dbraw/zinc/51/79/31/386517931.db2.gz SBAJIWURMPZILB-UHFFFAOYSA-N 1 2 248.351 2.532 20 0 BFADLO Cc1nonc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000267327196 386527984 /nfs/dbraw/zinc/52/79/84/386527984.db2.gz INZQUVUWVYCWQU-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nonc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000267327196 386527986 /nfs/dbraw/zinc/52/79/86/386527986.db2.gz INZQUVUWVYCWQU-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nonc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000267327193 386528111 /nfs/dbraw/zinc/52/81/11/386528111.db2.gz INZQUVUWVYCWQU-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nonc1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000267327193 386528117 /nfs/dbraw/zinc/52/81/17/386528117.db2.gz INZQUVUWVYCWQU-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)C1CCC1 ZINC000457860213 386464837 /nfs/dbraw/zinc/46/48/37/386464837.db2.gz BLIJAFCCUPTWTE-QWRGUYRKSA-N 1 2 249.358 2.516 20 0 BFADLO CCCCCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299553559 386466017 /nfs/dbraw/zinc/46/60/17/386466017.db2.gz RCQBTCGEZAWMBP-UHFFFAOYSA-N 1 2 249.358 2.696 20 0 BFADLO CC(=O)Nc1cccc(CNc2cccc[nH+]2)c1 ZINC000048560301 386588723 /nfs/dbraw/zinc/58/87/23/386588723.db2.gz LLWUUJPUIUKKEZ-UHFFFAOYSA-N 1 2 241.294 2.652 20 0 BFADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1cocn1 ZINC000291815934 386589145 /nfs/dbraw/zinc/58/91/45/386589145.db2.gz YSXRHKGMCXHLLT-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO CC[C@H]([NH2+]Cc1ccoc1C)C(F)F ZINC000414460534 386595539 /nfs/dbraw/zinc/59/55/39/386595539.db2.gz QVRTZLRTBBUIBD-VIFPVBQESA-N 1 2 203.232 2.721 20 0 BFADLO CC[C@@H](C)[C@@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336733417 386543410 /nfs/dbraw/zinc/54/34/10/386543410.db2.gz KANWRNGOYCFVJE-SCZZXKLOSA-N 1 2 242.750 2.862 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2CCSCC2)c1 ZINC000335462218 386545014 /nfs/dbraw/zinc/54/50/14/386545014.db2.gz PSFIFPLIEFEKTL-UHFFFAOYSA-N 1 2 248.326 2.927 20 0 BFADLO Clc1cccc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291455614 386547953 /nfs/dbraw/zinc/54/79/53/386547953.db2.gz CVBRAHDMHHBXSZ-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)c2ccon2)s1 ZINC000336780426 386550233 /nfs/dbraw/zinc/55/02/33/386550233.db2.gz RHIGVDZZSXKUSW-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2ccco2)o1 ZINC000291632539 386561572 /nfs/dbraw/zinc/56/15/72/386561572.db2.gz ARHFYQFQOYFEJA-UHFFFAOYSA-N 1 2 234.299 2.818 20 0 BFADLO Cc1cc(F)c(C[NH+]2CCSCC2)c(F)c1 ZINC000425325885 386564796 /nfs/dbraw/zinc/56/47/96/386564796.db2.gz MZNIQUQCVMOXNU-UHFFFAOYSA-N 1 2 243.322 2.822 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)OCC ZINC000097988151 386571579 /nfs/dbraw/zinc/57/15/79/386571579.db2.gz FYUOSBJKXMFHMD-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1nc(C[N@H+](C)CCCC(C)(C)C)no1 ZINC000337171061 386633212 /nfs/dbraw/zinc/63/32/12/386633212.db2.gz DIJDPDFFRVYLRF-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO Cc1nc(C[N@@H+](C)CCCC(C)(C)C)no1 ZINC000337171061 386633220 /nfs/dbraw/zinc/63/32/20/386633220.db2.gz DIJDPDFFRVYLRF-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO CSC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000278930379 386608607 /nfs/dbraw/zinc/60/86/07/386608607.db2.gz VAEPUPISVYNIJJ-UHFFFAOYSA-N 1 2 245.351 2.937 20 0 BFADLO Cc1ccc([N@H+](C)CC[C@H]2CCOC2=O)cc1C ZINC000268015847 386611045 /nfs/dbraw/zinc/61/10/45/386611045.db2.gz VTQBARLGYBGUDG-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc([N@@H+](C)CC[C@H]2CCOC2=O)cc1C ZINC000268015847 386611052 /nfs/dbraw/zinc/61/10/52/386611052.db2.gz VTQBARLGYBGUDG-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(NC(=O)CC[C@@H]2CCCO2)c(C)[nH+]1 ZINC000268027400 386611142 /nfs/dbraw/zinc/61/11/42/386611142.db2.gz WFVNXOZGQJEAOK-LBPRGKRZSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1ccc(NC(=O)COC2CCCC2)c(C)[nH+]1 ZINC000268023753 386611257 /nfs/dbraw/zinc/61/12/57/386611257.db2.gz UXCXHHYZWJNYBM-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000268044037 386613082 /nfs/dbraw/zinc/61/30/82/386613082.db2.gz VLUUYUSZWHCNBM-LLVKDONJSA-N 1 2 233.315 2.618 20 0 BFADLO Cc1ccsc1CNc1ccc(CO)c[nH+]1 ZINC000291524121 386616623 /nfs/dbraw/zinc/61/66/23/386616623.db2.gz JLVLNXCWQPXNTQ-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO COC1(C)CN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000428139153 386660872 /nfs/dbraw/zinc/66/08/72/386660872.db2.gz DURIJGRZFIPYJM-UHFFFAOYSA-N 1 2 246.285 2.599 20 0 BFADLO c1cn(CCNc2nc3ccccc3s2)c[nH+]1 ZINC000041063348 386661066 /nfs/dbraw/zinc/66/10/66/386661066.db2.gz FVBFIEKGFHPMJY-UHFFFAOYSA-N 1 2 244.323 2.605 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC(F)(F)C1 ZINC000335528475 386676118 /nfs/dbraw/zinc/67/61/18/386676118.db2.gz OLHLSQDRTGFLPQ-UHFFFAOYSA-N 1 2 240.253 2.682 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C1CC1 ZINC000335529806 386677748 /nfs/dbraw/zinc/67/77/48/386677748.db2.gz SPXXWZCARUYRCQ-SECBINFHSA-N 1 2 218.300 2.683 20 0 BFADLO CSC[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425591437 386680785 /nfs/dbraw/zinc/68/07/85/386680785.db2.gz ZDJVIEUTRGYWFQ-SECBINFHSA-N 1 2 238.356 2.636 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000648059419 386681322 /nfs/dbraw/zinc/68/13/22/386681322.db2.gz OPXIAYDGSDKKRJ-JQWIXIFHSA-N 1 2 242.326 2.644 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H](C)C2CCC2)no1 ZINC000357028861 386696525 /nfs/dbraw/zinc/69/65/25/386696525.db2.gz CBKAZYNJXIMALW-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H](C)C2CCC2)no1 ZINC000357028861 386696529 /nfs/dbraw/zinc/69/65/29/386696529.db2.gz CBKAZYNJXIMALW-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CCC2 ZINC000279640375 386712644 /nfs/dbraw/zinc/71/26/44/386712644.db2.gz CUQXQWWFCXYDCI-CQSZACIVSA-N 1 2 246.285 2.981 20 0 BFADLO Cc1nc(N2CC[C@@H]2C(C)C)c2c([nH+]1)CCCC2 ZINC000450807381 386723103 /nfs/dbraw/zinc/72/31/03/386723103.db2.gz GXBNZVAHYBFWRI-CQSZACIVSA-N 1 2 245.370 2.899 20 0 BFADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cocn1 ZINC000191942154 386724442 /nfs/dbraw/zinc/72/44/42/386724442.db2.gz YRQCVAHSCOYRSZ-JTQLQIEISA-N 1 2 232.283 2.573 20 0 BFADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cocn1 ZINC000191942154 386724450 /nfs/dbraw/zinc/72/44/50/386724450.db2.gz YRQCVAHSCOYRSZ-JTQLQIEISA-N 1 2 232.283 2.573 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000279729518 386727861 /nfs/dbraw/zinc/72/78/61/386727861.db2.gz CLOIIYMNWYLBCV-NWDGAFQWSA-N 1 2 249.358 2.551 20 0 BFADLO CSCc1cnc(C[NH+]2CCCC2)s1 ZINC000292941224 386751602 /nfs/dbraw/zinc/75/16/02/386751602.db2.gz ACUPUHTVUOWVFP-UHFFFAOYSA-N 1 2 228.386 2.602 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccoc2)s1 ZINC000357289254 386754421 /nfs/dbraw/zinc/75/44/21/386754421.db2.gz AFJXTPBYRIEEAV-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccoc2)s1 ZINC000357289254 386754431 /nfs/dbraw/zinc/75/44/31/386754431.db2.gz AFJXTPBYRIEEAV-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO O=C1CCCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000248068893 386744194 /nfs/dbraw/zinc/74/41/94/386744194.db2.gz XEMXLZGXGFDNKW-LBPRGKRZSA-N 1 2 246.335 2.938 20 0 BFADLO CCC[C@@H](c1nc(C[NH2+]C)no1)c1ccccc1 ZINC000414507297 386792643 /nfs/dbraw/zinc/79/26/43/386792643.db2.gz YPLZCUMCAJQVJY-GFCCVEGCSA-N 1 2 245.326 2.721 20 0 BFADLO Cc1noc(C[NH2+]C(C)(C)c2ccccc2C)n1 ZINC000293131610 386781417 /nfs/dbraw/zinc/78/14/17/386781417.db2.gz ZTUNDDUDVWNUPH-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cn1c[nH+]cc1CSc1ccc(F)cc1 ZINC000334639945 386783147 /nfs/dbraw/zinc/78/31/47/386783147.db2.gz RCNPGMNJPWXLSS-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO Cc1nocc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000293292170 386797569 /nfs/dbraw/zinc/79/75/69/386797569.db2.gz OYYRQOJPADQPEB-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CC(C)[C@@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000357537143 386798875 /nfs/dbraw/zinc/79/88/75/386798875.db2.gz VAOOQIYBODEPED-ZDUSSCGKSA-N 1 2 248.301 2.803 20 0 BFADLO CC(C)c1noc(CCCNc2cccc[nH+]2)n1 ZINC000301247324 386828246 /nfs/dbraw/zinc/82/82/46/386828246.db2.gz QQFAYAWYMLCZNG-UHFFFAOYSA-N 1 2 246.314 2.633 20 0 BFADLO CCC[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280659050 386832306 /nfs/dbraw/zinc/83/23/06/386832306.db2.gz AHFRSHWWPIHAHB-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO c1ccc(N2CCc3ccccc3CC2)[nH+]c1 ZINC000301312235 386833296 /nfs/dbraw/zinc/83/32/96/386833296.db2.gz IKDUNRVYVUPXCI-UHFFFAOYSA-N 1 2 224.307 2.687 20 0 BFADLO CC(C)CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301294404 386835209 /nfs/dbraw/zinc/83/52/09/386835209.db2.gz QWIDPZVWRWVACO-UHFFFAOYSA-N 1 2 234.347 2.757 20 0 BFADLO CC(C)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301294404 386835216 /nfs/dbraw/zinc/83/52/16/386835216.db2.gz QWIDPZVWRWVACO-UHFFFAOYSA-N 1 2 234.347 2.757 20 0 BFADLO COc1c(C)c[nH+]c(CN2CCC=C(C)C2)c1C ZINC000280713393 386836749 /nfs/dbraw/zinc/83/67/49/386836749.db2.gz DTTXEQGNEKKNSF-UHFFFAOYSA-N 1 2 246.354 2.859 20 0 BFADLO Cc1cc(CNc2ccc(C)[nH+]c2C)no1 ZINC000334787292 386848756 /nfs/dbraw/zinc/84/87/56/386848756.db2.gz KGZCHAWYPUOUGB-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1n[nH]c(C)c1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334792376 386857845 /nfs/dbraw/zinc/85/78/45/386857845.db2.gz MWAGVNOGKWXXMK-UHFFFAOYSA-N 1 2 245.301 2.681 20 0 BFADLO Cc1n[nH]c(C)c1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334792376 386857849 /nfs/dbraw/zinc/85/78/49/386857849.db2.gz MWAGVNOGKWXXMK-UHFFFAOYSA-N 1 2 245.301 2.681 20 0 BFADLO Cc1nc(N2CCC3(CCC3)C2)c(C)c(C)[nH+]1 ZINC000301658570 386863840 /nfs/dbraw/zinc/86/38/40/386863840.db2.gz JASSQDMIKFGOCF-UHFFFAOYSA-N 1 2 231.343 2.782 20 0 BFADLO CCCn1cc(Nc2nc(C)[nH+]c(C)c2C)cn1 ZINC000301687819 386868315 /nfs/dbraw/zinc/86/83/15/386868315.db2.gz MLMJEPLOTCKRNB-UHFFFAOYSA-N 1 2 245.330 2.752 20 0 BFADLO CC[C@H]1CCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335747379 386869064 /nfs/dbraw/zinc/86/90/64/386869064.db2.gz QKAUQYXSFVYSQR-NSHDSACASA-N 1 2 233.315 2.715 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000341263564 386870014 /nfs/dbraw/zinc/87/00/14/386870014.db2.gz DFIGGAIRANZXLI-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000341263564 386870017 /nfs/dbraw/zinc/87/00/17/386870017.db2.gz DFIGGAIRANZXLI-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(F)cc2)n1 ZINC000341264670 386870923 /nfs/dbraw/zinc/87/09/23/386870923.db2.gz YTVPDUOFZBLOED-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO C[N@H+](CCF)Cc1cc(F)cc(Cl)c1 ZINC000293745077 386872337 /nfs/dbraw/zinc/87/23/37/386872337.db2.gz WGAWWIBPLFRGAF-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO C[N@@H+](CCF)Cc1cc(F)cc(Cl)c1 ZINC000293745077 386872344 /nfs/dbraw/zinc/87/23/44/386872344.db2.gz WGAWWIBPLFRGAF-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(C)cc2)n1 ZINC000341285059 386877265 /nfs/dbraw/zinc/87/72/65/386877265.db2.gz ZMBFFTKJPDOTHA-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CN(CC1CCC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000301838039 386881936 /nfs/dbraw/zinc/88/19/36/386881936.db2.gz WJNYKNFAHOYFKS-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CN(CC1CCC1)c1cc(NCC2CC2)nc[nH+]1 ZINC000301838039 386881941 /nfs/dbraw/zinc/88/19/41/386881941.db2.gz WJNYKNFAHOYFKS-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CCC1(CNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301867815 386886250 /nfs/dbraw/zinc/88/62/50/386886250.db2.gz DSACGFCKQDURPG-UHFFFAOYSA-N 1 2 242.326 2.814 20 0 BFADLO CC(C)CCN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301875296 386887600 /nfs/dbraw/zinc/88/76/00/386887600.db2.gz KBMPITYKLCAGOV-UHFFFAOYSA-N 1 2 244.342 2.694 20 0 BFADLO CN(C[C@H]1CCCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000301898924 386889286 /nfs/dbraw/zinc/88/92/86/386889286.db2.gz XKCXVNDBKTZPPE-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000335769595 386914202 /nfs/dbraw/zinc/91/42/02/386914202.db2.gz AXCXLAQSHJNVNJ-AWEZNQCLSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000335769595 386914207 /nfs/dbraw/zinc/91/42/07/386914207.db2.gz AXCXLAQSHJNVNJ-AWEZNQCLSA-N 1 2 227.311 2.665 20 0 BFADLO CC(C)c1nc(NCC[C@@H]2CCCCO2)cc[nH+]1 ZINC000302067068 386901339 /nfs/dbraw/zinc/90/13/39/386901339.db2.gz WMIOYWICVDCZEF-LBPRGKRZSA-N 1 2 249.358 2.971 20 0 BFADLO Cc1cc(NCC[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000358197584 386911462 /nfs/dbraw/zinc/91/14/62/386911462.db2.gz UAORZXBEIPBXKT-AAEUAGOBSA-N 1 2 233.359 2.835 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341494915 386912482 /nfs/dbraw/zinc/91/24/82/386912482.db2.gz YOCAOBUQFKXUPP-MWLCHTKSSA-N 1 2 233.359 2.931 20 0 BFADLO CN(C[C@@H]1CC=CCC1)c1cccc[nH+]1 ZINC000302192730 386913230 /nfs/dbraw/zinc/91/32/30/386913230.db2.gz WDLOYMNRDVNBIB-GFCCVEGCSA-N 1 2 202.301 2.874 20 0 BFADLO CC(C)c1nc(NCC2(CO)CCCC2)cc[nH+]1 ZINC000302241338 386920547 /nfs/dbraw/zinc/92/05/47/386920547.db2.gz IINJGVGMFXSHDA-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC(C)(C)O2)cc[nH+]1 ZINC000302386098 386922007 /nfs/dbraw/zinc/92/20/07/386922007.db2.gz HMSAPASWULLSSX-LLVKDONJSA-N 1 2 249.358 2.970 20 0 BFADLO Cc1cnccc1CNc1cc[nH+]c(C(C)C)n1 ZINC000302429664 386922615 /nfs/dbraw/zinc/92/26/15/386922615.db2.gz OJVUWRDEPPMURL-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO Cc1cc(N[C@@H]2CCCO[C@H]2CC(C)C)nc[nH+]1 ZINC000302483242 386923999 /nfs/dbraw/zinc/92/39/99/386923999.db2.gz RRMGCOLJQMJLNI-OLZOCXBDSA-N 1 2 249.358 2.791 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]3OCCC[C@@H]23)cc[nH+]1 ZINC000302601091 386927425 /nfs/dbraw/zinc/92/74/25/386927425.db2.gz YOBBFABCABQQKI-QJPTWQEYSA-N 1 2 247.342 2.579 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]3OCCC[C@H]23)cc[nH+]1 ZINC000302601090 386927689 /nfs/dbraw/zinc/92/76/89/386927689.db2.gz YOBBFABCABQQKI-IJLUTSLNSA-N 1 2 247.342 2.579 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)[C@H](O)c1ccc(F)cc1 ZINC000302675197 386928792 /nfs/dbraw/zinc/92/87/92/386928792.db2.gz PPKHYKKQGFULIJ-HZMBPMFUSA-N 1 2 246.285 2.755 20 0 BFADLO CC/C=C\CCSc1[nH+]cnc2c1cnn2C ZINC000341592039 386929634 /nfs/dbraw/zinc/92/96/34/386929634.db2.gz WZELLGCZWJINJZ-PLNGDYQASA-N 1 2 248.355 2.812 20 0 BFADLO CO[C@@H]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000302743334 386934174 /nfs/dbraw/zinc/93/41/74/386934174.db2.gz DKONLKKLNMPKLG-GHMZBOCLSA-N 1 2 235.331 2.579 20 0 BFADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CC1(C)C ZINC000302862760 386941647 /nfs/dbraw/zinc/94/16/47/386941647.db2.gz RKNVKIMBXYCPLF-SNVBAGLBSA-N 1 2 217.316 2.589 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000352943343 386970844 /nfs/dbraw/zinc/97/08/44/386970844.db2.gz CBZOGODNSGMWIU-SNVBAGLBSA-N 1 2 220.316 2.577 20 0 BFADLO CC[C@@H](F)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000331315959 387001909 /nfs/dbraw/zinc/00/19/09/387001909.db2.gz XZIQPFSYIMYDEL-RKDXNWHRSA-N 1 2 243.326 2.766 20 0 BFADLO CCCCCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341688973 386950684 /nfs/dbraw/zinc/95/06/84/386950684.db2.gz KXVALUSAFHZLBU-ZDUSSCGKSA-N 1 2 249.358 2.568 20 0 BFADLO FC1(F)CC[C@H](COc2cc[nH+]cc2)C1 ZINC000334957277 387035656 /nfs/dbraw/zinc/03/56/56/387035656.db2.gz POPPMMOXTDBSAQ-VIFPVBQESA-N 1 2 213.227 2.896 20 0 BFADLO C[C@@H](Nc1cccc(F)c1)c1[nH+]ccn1C ZINC000070007295 387043803 /nfs/dbraw/zinc/04/38/03/387043803.db2.gz NXUOYORWPLTEPW-SECBINFHSA-N 1 2 219.263 2.732 20 0 BFADLO C[C@H](Nc1cccc(F)c1)c1[nH+]ccn1C ZINC000070007292 387044020 /nfs/dbraw/zinc/04/40/20/387044020.db2.gz NXUOYORWPLTEPW-VIFPVBQESA-N 1 2 219.263 2.732 20 0 BFADLO CCCCN(C)c1[nH+]c2ccccc2n1C ZINC000096907884 387056806 /nfs/dbraw/zinc/05/68/06/387056806.db2.gz MQDHWQWAQCVOTC-UHFFFAOYSA-N 1 2 217.316 2.810 20 0 BFADLO CCOC1C[NH+](C/C(C)=C/c2ccccc2)C1 ZINC000459576227 387059560 /nfs/dbraw/zinc/05/95/60/387059560.db2.gz AANFLTDKHRVSON-UKTHLTGXSA-N 1 2 231.339 2.811 20 0 BFADLO c1c[nH+]c(COC[C@@H]2C[C@H]2c2ccccc2)[nH]1 ZINC000359173993 387064138 /nfs/dbraw/zinc/06/41/38/387064138.db2.gz YZPLXJOQCAQZTL-STQMWFEESA-N 1 2 228.295 2.730 20 0 BFADLO c1c[nH+]c(COC[C@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000359173989 387064230 /nfs/dbraw/zinc/06/42/30/387064230.db2.gz YZPLXJOQCAQZTL-CHWSQXEVSA-N 1 2 228.295 2.730 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000336223072 387064389 /nfs/dbraw/zinc/06/43/89/387064389.db2.gz AGIQHQSMOXLSED-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000336223072 387064391 /nfs/dbraw/zinc/06/43/91/387064391.db2.gz AGIQHQSMOXLSED-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO CC(=O)[C@H](C)SCc1ccc(C)[nH+]c1C ZINC000358785790 387014539 /nfs/dbraw/zinc/01/45/39/387014539.db2.gz NWPWMKYPOKYOLE-NSHDSACASA-N 1 2 223.341 2.909 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000368847011 387014963 /nfs/dbraw/zinc/01/49/63/387014963.db2.gz YGRGOCZMLTVKMZ-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000368847011 387014965 /nfs/dbraw/zinc/01/49/65/387014965.db2.gz YGRGOCZMLTVKMZ-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@@H](Nc1ccc(F)c(F)c1)c1[nH+]ccn1C ZINC000070443401 387065866 /nfs/dbraw/zinc/06/58/66/387065866.db2.gz LJYSYYBBWQEVBR-MRVPVSSYSA-N 1 2 237.253 2.871 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)C1CC1 ZINC000333242893 387022107 /nfs/dbraw/zinc/02/21/07/387022107.db2.gz QKDLLNQXHPGTIT-ZWNOBZJWSA-N 1 2 248.374 2.814 20 0 BFADLO CCc1ncc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000334884944 387027042 /nfs/dbraw/zinc/02/70/42/387027042.db2.gz ZDJURLOCOUXNPU-UHFFFAOYSA-N 1 2 239.322 2.555 20 0 BFADLO Cc1c[nH]nc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000334883315 387027096 /nfs/dbraw/zinc/02/70/96/387027096.db2.gz WDGXXXRFYVVGPK-UHFFFAOYSA-N 1 2 242.326 2.688 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCC=C(C)C2)nn1C ZINC000334983190 387070093 /nfs/dbraw/zinc/07/00/93/387070093.db2.gz YQYPUUQOXYNZFG-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCC=C(C)C2)nn1C ZINC000334983190 387070097 /nfs/dbraw/zinc/07/00/97/387070097.db2.gz YQYPUUQOXYNZFG-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)C1CCC1 ZINC000334982798 387070408 /nfs/dbraw/zinc/07/04/08/387070408.db2.gz YZJVFPGCGNQESK-UHFFFAOYSA-N 1 2 247.342 2.512 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccc(C)cn2)s1 ZINC000352311610 387072726 /nfs/dbraw/zinc/07/27/26/387072726.db2.gz XHMQUQIBPIGWOF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccc(C)cn2)s1 ZINC000352311610 387072731 /nfs/dbraw/zinc/07/27/31/387072731.db2.gz XHMQUQIBPIGWOF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2C)nn1C ZINC000334986697 387073466 /nfs/dbraw/zinc/07/34/66/387073466.db2.gz TVHBLKZBGAGLPJ-SECBINFHSA-N 1 2 241.766 2.756 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2C)nn1C ZINC000334986697 387073468 /nfs/dbraw/zinc/07/34/68/387073468.db2.gz TVHBLKZBGAGLPJ-SECBINFHSA-N 1 2 241.766 2.756 20 0 BFADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1noc(C2CC2)n1 ZINC000066531799 387086485 /nfs/dbraw/zinc/08/64/85/387086485.db2.gz ZFOMMSGMHVONTN-NXEZZACHSA-N 1 2 235.331 2.710 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCC23CCC3)nn1C ZINC000334996431 387088949 /nfs/dbraw/zinc/08/89/49/387088949.db2.gz ZEPULTDLYXNUME-UHFFFAOYSA-N 1 2 239.750 2.510 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCC23CCC3)nn1C ZINC000334996431 387088956 /nfs/dbraw/zinc/08/89/56/387088956.db2.gz ZEPULTDLYXNUME-UHFFFAOYSA-N 1 2 239.750 2.510 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336266964 387101441 /nfs/dbraw/zinc/10/14/41/387101441.db2.gz RIFNYGQUSGZURH-YPMHNXCESA-N 1 2 237.322 2.670 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336266964 387101446 /nfs/dbraw/zinc/10/14/46/387101446.db2.gz RIFNYGQUSGZURH-YPMHNXCESA-N 1 2 237.322 2.670 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000336273158 387105982 /nfs/dbraw/zinc/10/59/82/387105982.db2.gz RQXYEEVRVULNGM-LLVKDONJSA-N 1 2 241.718 2.544 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)o1 ZINC000336273158 387105984 /nfs/dbraw/zinc/10/59/84/387105984.db2.gz RQXYEEVRVULNGM-LLVKDONJSA-N 1 2 241.718 2.544 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336275503 387107315 /nfs/dbraw/zinc/10/73/15/387107315.db2.gz PVHOWESNHNTPTB-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336275503 387107320 /nfs/dbraw/zinc/10/73/20/387107320.db2.gz PVHOWESNHNTPTB-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO FC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000336279729 387111542 /nfs/dbraw/zinc/11/15/42/387111542.db2.gz PXUXZTTVVFBXKG-LBPRGKRZSA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000336279729 387111544 /nfs/dbraw/zinc/11/15/44/387111544.db2.gz PXUXZTTVVFBXKG-LBPRGKRZSA-N 1 2 243.709 2.510 20 0 BFADLO CCOC1(C)C[NH+](Cc2cc(F)ccc2C)C1 ZINC000459614706 387121075 /nfs/dbraw/zinc/12/10/75/387121075.db2.gz FEPCDPANLPIVBU-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO CC(C)c1ccsc1C(=O)NCc1c[nH+]c[nH]1 ZINC000359692134 387146611 /nfs/dbraw/zinc/14/66/11/387146611.db2.gz LDOLGGWMOTUISC-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CC(C)c1ccsc1C(=O)NCc1c[nH]c[nH+]1 ZINC000359692134 387146615 /nfs/dbraw/zinc/14/66/15/387146615.db2.gz LDOLGGWMOTUISC-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CC(C)(C)c1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000186951035 387147763 /nfs/dbraw/zinc/14/77/63/387147763.db2.gz BNVWVNCTFWUCAH-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)(C)c1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000186951035 387147768 /nfs/dbraw/zinc/14/77/68/387147768.db2.gz BNVWVNCTFWUCAH-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccco1 ZINC000393321385 387159080 /nfs/dbraw/zinc/15/90/80/387159080.db2.gz HBCSSUDJPLLMDK-MRVPVSSYSA-N 1 2 239.706 2.517 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000336334535 387160577 /nfs/dbraw/zinc/16/05/77/387160577.db2.gz PSSDLCISWPWITG-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000336334535 387160581 /nfs/dbraw/zinc/16/05/81/387160581.db2.gz PSSDLCISWPWITG-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO CCC[N@H+](Cc1noc(C(C)(C)C)n1)C(C)C ZINC000571774571 387167630 /nfs/dbraw/zinc/16/76/30/387167630.db2.gz ORGWZNCWNDZYBA-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO CCC[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)C ZINC000571774571 387167635 /nfs/dbraw/zinc/16/76/35/387167635.db2.gz ORGWZNCWNDZYBA-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO C/C=C/C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187150808 387171274 /nfs/dbraw/zinc/17/12/74/387171274.db2.gz MVJZOOCRGGPUHO-MBVDDHJVSA-N 1 2 223.341 2.523 20 0 BFADLO CCCCC[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000120401721 387185259 /nfs/dbraw/zinc/18/52/59/387185259.db2.gz LVQIPMLOVHUHJV-AWEZNQCLSA-N 1 2 249.354 2.989 20 0 BFADLO CO[C@H](C)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292847803 387206866 /nfs/dbraw/zinc/20/68/66/387206866.db2.gz VKRHYJXUSBCCCH-MWLCHTKSSA-N 1 2 229.270 2.617 20 0 BFADLO CCc1cccc(F)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000353660543 387252876 /nfs/dbraw/zinc/25/28/76/387252876.db2.gz UNRIUJONQKRCBX-BETUJISGSA-N 1 2 249.329 2.751 20 0 BFADLO CCc1cccc(F)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000353660543 387252882 /nfs/dbraw/zinc/25/28/82/387252882.db2.gz UNRIUJONQKRCBX-BETUJISGSA-N 1 2 249.329 2.751 20 0 BFADLO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1cc[nH]n1 ZINC000353529029 387222723 /nfs/dbraw/zinc/22/27/23/387222723.db2.gz PFVVNMINLWHJMX-NSCUHMNNSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1cc[nH]n1 ZINC000353529029 387222727 /nfs/dbraw/zinc/22/27/27/387222727.db2.gz PFVVNMINLWHJMX-NSCUHMNNSA-N 1 2 245.301 2.694 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)o1 ZINC000336402136 387231639 /nfs/dbraw/zinc/23/16/39/387231639.db2.gz ALNCMYXDQOIGEA-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)o1 ZINC000336402136 387231643 /nfs/dbraw/zinc/23/16/43/387231643.db2.gz ALNCMYXDQOIGEA-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(F)c(Cl)c1 ZINC000336404978 387233843 /nfs/dbraw/zinc/23/38/43/387233843.db2.gz ONTDPZMJLURALH-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000424653000 387234205 /nfs/dbraw/zinc/23/42/05/387234205.db2.gz GCOMGOBMAQFYGU-MFKMUULPSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(C)c(NC(=O)C2CCC2)c(C)[nH+]1 ZINC000097039932 387234951 /nfs/dbraw/zinc/23/49/51/387234951.db2.gz SMUMSBAKHOPERJ-UHFFFAOYSA-N 1 2 218.300 2.745 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1ncc(CSC)s1 ZINC000353606638 387241763 /nfs/dbraw/zinc/24/17/63/387241763.db2.gz NNCCMDVDQZAHNJ-VIFPVBQESA-N 1 2 242.413 2.990 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1ncc(CSC)s1 ZINC000353606638 387241767 /nfs/dbraw/zinc/24/17/67/387241767.db2.gz NNCCMDVDQZAHNJ-VIFPVBQESA-N 1 2 242.413 2.990 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2ccncc2F)c1 ZINC000648553627 387246681 /nfs/dbraw/zinc/24/66/81/387246681.db2.gz YUYAHXMECJZBNI-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2ccncc2F)c1 ZINC000648553627 387246685 /nfs/dbraw/zinc/24/66/85/387246685.db2.gz YUYAHXMECJZBNI-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000371770693 387249370 /nfs/dbraw/zinc/24/93/70/387249370.db2.gz XEDBVMSUABGJFZ-SECBINFHSA-N 1 2 247.264 2.542 20 0 BFADLO FC(F)(F)CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000371770693 387249372 /nfs/dbraw/zinc/24/93/72/387249372.db2.gz XEDBVMSUABGJFZ-SECBINFHSA-N 1 2 247.264 2.542 20 0 BFADLO c1[nH+]c2c(cc1NC[C@@H]1CCCOC1)CCCC2 ZINC000359947899 387197402 /nfs/dbraw/zinc/19/74/02/387197402.db2.gz UVTFHAUXUFUTCO-LBPRGKRZSA-N 1 2 246.354 2.799 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC3CCC2CC3)no1 ZINC000371390656 387200208 /nfs/dbraw/zinc/20/02/08/387200208.db2.gz XIISQPKFZOIVLP-UHFFFAOYSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC3CCC2CC3)no1 ZINC000371390656 387200209 /nfs/dbraw/zinc/20/02/09/387200209.db2.gz XIISQPKFZOIVLP-UHFFFAOYSA-N 1 2 249.358 2.742 20 0 BFADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000353674215 387255813 /nfs/dbraw/zinc/25/58/13/387255813.db2.gz TWKVODGGZLWCOK-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cn2cc(NC(=O)[C@H](C)C(C)C)ccc2[nH+]1 ZINC000353683708 387258125 /nfs/dbraw/zinc/25/81/25/387258125.db2.gz VESXOHNODQXCFC-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@](C)(F)C2)sc1C ZINC000336437533 387262026 /nfs/dbraw/zinc/26/20/26/387262026.db2.gz XWXDIDZXBNVABF-NSHDSACASA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@](C)(F)C2)sc1C ZINC000336437533 387262031 /nfs/dbraw/zinc/26/20/31/387262031.db2.gz XWXDIDZXBNVABF-NSHDSACASA-N 1 2 228.336 2.694 20 0 BFADLO C[N@H+](C/C=C/c1ccccc1)Cc1ccon1 ZINC000353822943 387279130 /nfs/dbraw/zinc/27/91/30/387279130.db2.gz VGACEHRXJYXBQH-VMPITWQZSA-N 1 2 228.295 2.820 20 0 BFADLO C[N@@H+](C/C=C/c1ccccc1)Cc1ccon1 ZINC000353822943 387279134 /nfs/dbraw/zinc/27/91/34/387279134.db2.gz VGACEHRXJYXBQH-VMPITWQZSA-N 1 2 228.295 2.820 20 0 BFADLO CSC1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000336457755 387283949 /nfs/dbraw/zinc/28/39/49/387283949.db2.gz CCGNNPOXJHKKNF-UHFFFAOYSA-N 1 2 236.340 2.533 20 0 BFADLO Cn1cc[nH+]c1CN(C#N)c1cccc(Cl)c1 ZINC000336463971 387292824 /nfs/dbraw/zinc/29/28/24/387292824.db2.gz GWWOJMYCAUQCSM-UHFFFAOYSA-N 1 2 246.701 2.561 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000360475565 387295577 /nfs/dbraw/zinc/29/55/77/387295577.db2.gz URQAEGWEUOLHRD-UTUOFQBUSA-N 1 2 249.358 2.659 20 0 BFADLO Clc1sccc1C[NH+]1CC2(C1)CCOC2 ZINC000336469531 387298285 /nfs/dbraw/zinc/29/82/85/387298285.db2.gz ITYFACHLCZCDMU-UHFFFAOYSA-N 1 2 243.759 2.624 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1C[C@H]1C ZINC000321753175 387301852 /nfs/dbraw/zinc/30/18/52/387301852.db2.gz BJGZDGMOZYBJQW-HXFLIBJXSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCC[C@@H]1C ZINC000121186543 387306304 /nfs/dbraw/zinc/30/63/04/387306304.db2.gz HOTTYLPOXXBKQF-NSHDSACASA-N 1 2 233.315 2.796 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000514922122 387307796 /nfs/dbraw/zinc/30/77/96/387307796.db2.gz FHTGUSGMCKGNNE-IJLUTSLNSA-N 1 2 249.358 2.863 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CCC[C@@H]3CCCC[C@H]23)n1 ZINC000514922124 387308286 /nfs/dbraw/zinc/30/82/86/387308286.db2.gz FHTGUSGMCKGNNE-SDDRHHMPSA-N 1 2 249.358 2.863 20 0 BFADLO Cc1nc(N2CC3(C2)CCCC3)c(C)c(C)[nH+]1 ZINC000373603044 387382149 /nfs/dbraw/zinc/38/21/49/387382149.db2.gz XVJAUYCQLZXEFA-UHFFFAOYSA-N 1 2 231.343 2.782 20 0 BFADLO C[C@@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000286431445 387329469 /nfs/dbraw/zinc/32/94/69/387329469.db2.gz IBRWWLURUJFEIN-MRVPVSSYSA-N 1 2 236.702 2.681 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000286592366 387331654 /nfs/dbraw/zinc/33/16/54/387331654.db2.gz ZBBUEISSUNODFG-SNVBAGLBSA-N 1 2 217.316 2.955 20 0 BFADLO c1[nH+]c2c(cc1N[C@@H]1CCCOCC1)CCCC2 ZINC000336506335 387332121 /nfs/dbraw/zinc/33/21/21/387332121.db2.gz PSHKZIHJJUZGBU-CYBMUJFWSA-N 1 2 246.354 2.941 20 0 BFADLO c1[nH+]c2c(cc1N[C@H]1CCCOCC1)CCCC2 ZINC000336506336 387332665 /nfs/dbraw/zinc/33/26/65/387332665.db2.gz PSHKZIHJJUZGBU-ZDUSSCGKSA-N 1 2 246.354 2.941 20 0 BFADLO CC(=O)c1cc(C[N@@H+](C)[C@H](C)c2ccco2)on1 ZINC000572344446 387335188 /nfs/dbraw/zinc/33/51/88/387335188.db2.gz MIQNFDMXCZRHNO-SECBINFHSA-N 1 2 248.282 2.663 20 0 BFADLO CC(=O)c1cc(C[N@H+](C)[C@H](C)c2ccco2)on1 ZINC000572344446 387335191 /nfs/dbraw/zinc/33/51/91/387335191.db2.gz MIQNFDMXCZRHNO-SECBINFHSA-N 1 2 248.282 2.663 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2F)n1 ZINC000352590965 387344941 /nfs/dbraw/zinc/34/49/41/387344941.db2.gz PNIOFEZDPXBGBY-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000515206650 387350582 /nfs/dbraw/zinc/35/05/82/387350582.db2.gz JHBDTVVDQSBXJJ-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000515206650 387350587 /nfs/dbraw/zinc/35/05/87/387350587.db2.gz JHBDTVVDQSBXJJ-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO CC(C)c1nc(N2C[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000361275708 387423977 /nfs/dbraw/zinc/42/39/77/387423977.db2.gz QHAUMLXMHSMLTN-QWRGUYRKSA-N 1 2 219.332 2.692 20 0 BFADLO COc1c(O)cccc1C[N@H+](C)Cc1ccoc1 ZINC000352695500 387440739 /nfs/dbraw/zinc/44/07/39/387440739.db2.gz WHAKZXFPXZJOHA-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO COc1c(O)cccc1C[N@@H+](C)Cc1ccoc1 ZINC000352695500 387440741 /nfs/dbraw/zinc/44/07/41/387440741.db2.gz WHAKZXFPXZJOHA-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO COc1cc(C)[nH+]c(COc2cccc(C)n2)c1 ZINC000354947540 387451985 /nfs/dbraw/zinc/45/19/85/387451985.db2.gz GVCXCEBUBKAUFX-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO c1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000051666685 387392734 /nfs/dbraw/zinc/39/27/34/387392734.db2.gz QLIHJQNNVXLIEN-UHFFFAOYSA-N 1 2 237.306 2.853 20 0 BFADLO CCOc1cccc(C[N@H+](C)Cc2ccoc2)n1 ZINC000352649911 387406435 /nfs/dbraw/zinc/40/64/35/387406435.db2.gz RATMBRYNIIPGIF-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1cccc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000352649911 387406439 /nfs/dbraw/zinc/40/64/39/387406439.db2.gz RATMBRYNIIPGIF-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO COCc1ccc(C[N@H+](C)Cc2ccoc2)o1 ZINC000352649773 387406827 /nfs/dbraw/zinc/40/68/27/387406827.db2.gz OMUPPAGNZYCVNV-UHFFFAOYSA-N 1 2 235.283 2.651 20 0 BFADLO COCc1ccc(C[N@@H+](C)Cc2ccoc2)o1 ZINC000352649773 387406832 /nfs/dbraw/zinc/40/68/32/387406832.db2.gz OMUPPAGNZYCVNV-UHFFFAOYSA-N 1 2 235.283 2.651 20 0 BFADLO CCC[C@@H]([NH2+]Cc1c(C)cccc1C)C(=O)OC ZINC000083381215 387406863 /nfs/dbraw/zinc/40/68/63/387406863.db2.gz XDCIRXUQULDISC-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO CCCC[C@@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000083381201 387407518 /nfs/dbraw/zinc/40/75/18/387407518.db2.gz XBHZKARGLMOFHP-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO COc1ccc(CNc2ccc(C)[nH+]c2)cc1O ZINC000083372615 387407539 /nfs/dbraw/zinc/40/75/39/387407539.db2.gz ZFIPNTCOBZXNRX-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000361193883 387414725 /nfs/dbraw/zinc/41/47/25/387414725.db2.gz LKFJQQUNZMCEOH-UKVQZPPCSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000361193883 387414728 /nfs/dbraw/zinc/41/47/28/387414728.db2.gz LKFJQQUNZMCEOH-UKVQZPPCSA-N 1 2 247.338 2.583 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cccc2c1OCO2 ZINC000352654341 387418903 /nfs/dbraw/zinc/41/89/03/387418903.db2.gz KMMSKZCUAXWTTO-UHFFFAOYSA-N 1 2 245.278 2.640 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cccc2c1OCO2 ZINC000352654341 387418908 /nfs/dbraw/zinc/41/89/08/387418908.db2.gz KMMSKZCUAXWTTO-UHFFFAOYSA-N 1 2 245.278 2.640 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)s1 ZINC000041014584 387499546 /nfs/dbraw/zinc/49/95/46/387499546.db2.gz IVRCUMHHVTYOBO-SECBINFHSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2C2CC2)c2c([nH+]1)CCCC2 ZINC000516403823 387508111 /nfs/dbraw/zinc/50/81/11/387508111.db2.gz WMBBSNUGMOYVLK-GXTWGEPZSA-N 1 2 243.354 2.874 20 0 BFADLO CCC(CC)CNc1[nH+]cccc1OC ZINC000162730734 387510005 /nfs/dbraw/zinc/51/00/05/387510005.db2.gz ACTCIBVWPNOLQE-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000355363654 387524802 /nfs/dbraw/zinc/52/48/02/387524802.db2.gz JVTWCYGWKDMDPB-JTQLQIEISA-N 1 2 217.671 2.867 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000355363654 387524805 /nfs/dbraw/zinc/52/48/05/387524805.db2.gz JVTWCYGWKDMDPB-JTQLQIEISA-N 1 2 217.671 2.867 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000122474309 387535312 /nfs/dbraw/zinc/53/53/12/387535312.db2.gz LOVYWGPBJKUAGL-MNOVXSKESA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000122474309 387535314 /nfs/dbraw/zinc/53/53/14/387535314.db2.gz LOVYWGPBJKUAGL-MNOVXSKESA-N 1 2 237.347 2.671 20 0 BFADLO Cc1cc(N)nc(S[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000424081662 387476980 /nfs/dbraw/zinc/47/69/80/387476980.db2.gz AKYXGLVZLXMGIC-VIFPVBQESA-N 1 2 237.372 2.868 20 0 BFADLO COC1(C[N@H+](C)CC(F)F)CCCCC1 ZINC000361546498 387483973 /nfs/dbraw/zinc/48/39/73/387483973.db2.gz BKFVHHIQEVGGMU-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO COC1(C[N@@H+](C)CC(F)F)CCCCC1 ZINC000361546498 387483975 /nfs/dbraw/zinc/48/39/75/387483975.db2.gz BKFVHHIQEVGGMU-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(O)cc1)C(F)F ZINC000648619223 387582699 /nfs/dbraw/zinc/58/26/99/387582699.db2.gz DZZLBZIXMMIYLE-SNVBAGLBSA-N 1 2 215.243 2.526 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ncc[nH]1)CO2 ZINC000375888485 387590797 /nfs/dbraw/zinc/59/07/97/387590797.db2.gz LQFHTLJNXJXUME-PWSUYJOCSA-N 1 2 243.310 2.502 20 0 BFADLO CCC1CC[NH+](Cc2nnc(C(C)C)[nH]2)CC1 ZINC000428223017 387591309 /nfs/dbraw/zinc/59/13/09/387591309.db2.gz OJOAEEWUWJTVKQ-UHFFFAOYSA-N 1 2 236.363 2.550 20 0 BFADLO Cc1ccc(C)c(COCc2[nH]cc[nH+]2)c1 ZINC000123732080 387591718 /nfs/dbraw/zinc/59/17/18/387591718.db2.gz SEEHOSISDIEVIT-UHFFFAOYSA-N 1 2 216.284 2.743 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(SC)s2)C1 ZINC000362319769 387596025 /nfs/dbraw/zinc/59/60/25/387596025.db2.gz GZTMSIHZCMWZNA-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000362374678 387603546 /nfs/dbraw/zinc/60/35/46/387603546.db2.gz XUIJCSOZEQQSCU-NWDGAFQWSA-N 1 2 231.343 2.541 20 0 BFADLO CCC[C@H](CC)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000362697611 387649617 /nfs/dbraw/zinc/64/96/17/387649617.db2.gz CMWDYYPYSNWEPF-WDEREUQCSA-N 1 2 249.358 2.525 20 0 BFADLO CCC[C@H](CC)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000362697611 387649621 /nfs/dbraw/zinc/64/96/21/387649621.db2.gz CMWDYYPYSNWEPF-WDEREUQCSA-N 1 2 249.358 2.525 20 0 BFADLO CC(C)CC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431021742 387669876 /nfs/dbraw/zinc/66/98/76/387669876.db2.gz KQHXZUWRAUSQFG-UHFFFAOYSA-N 1 2 235.306 2.592 20 0 BFADLO CCCCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431025449 387671224 /nfs/dbraw/zinc/67/12/24/387671224.db2.gz SWABOJRWJBIVPM-UHFFFAOYSA-N 1 2 235.306 2.949 20 0 BFADLO CC[C@H]1CN(c2[nH+]ccc3ccccc32)CCO1 ZINC000527833571 387748656 /nfs/dbraw/zinc/74/86/56/387748656.db2.gz AXCSXXBKIZWMHY-ZDUSSCGKSA-N 1 2 242.322 2.850 20 0 BFADLO CN(c1[nH+]c2ccc(F)cc2n1C)C1CCC1 ZINC000431415754 387706928 /nfs/dbraw/zinc/70/69/28/387706928.db2.gz SXEZKBXMNKPTDX-UHFFFAOYSA-N 1 2 233.290 2.701 20 0 BFADLO C[C@H]1CCC[C@H]1[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431411159 387708590 /nfs/dbraw/zinc/70/85/90/387708590.db2.gz WTOVEQUXYWZRRW-GXSJLCMTSA-N 1 2 247.317 2.735 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@@H]2C(C)C)nc[nH+]1 ZINC000431506870 387714575 /nfs/dbraw/zinc/71/45/75/387714575.db2.gz PRNPMWHKNZCOLY-LBPRGKRZSA-N 1 2 219.332 2.656 20 0 BFADLO CC[N@H+](CCC[C@H](C)O)c1ccccc1C ZINC000045619357 387719517 /nfs/dbraw/zinc/71/95/17/387719517.db2.gz YNWKSLDLPFAIMU-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@H](C)O)c1ccccc1C ZINC000045619357 387719522 /nfs/dbraw/zinc/71/95/22/387719522.db2.gz YNWKSLDLPFAIMU-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO c1c[nH+]c(CNc2cnc3ccccc3c2)[nH]1 ZINC000049715052 387787322 /nfs/dbraw/zinc/78/73/22/387787322.db2.gz JZHWJHYRZZFGOE-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO O=C(CCC1CCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378524354 387789557 /nfs/dbraw/zinc/78/95/57/387789557.db2.gz ZLHRFTGKFLZUNE-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2cocn2)cc1 ZINC000432737142 387812953 /nfs/dbraw/zinc/81/29/53/387812953.db2.gz BAEUWOPEPOCPKL-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2cocn2)cc1 ZINC000432737142 387812955 /nfs/dbraw/zinc/81/29/55/387812955.db2.gz BAEUWOPEPOCPKL-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000645842296 387795855 /nfs/dbraw/zinc/79/58/55/387795855.db2.gz BIORASSIWFJFRB-JTQLQIEISA-N 1 2 201.260 2.826 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CC1=CCCC1 ZINC000645842296 387795858 /nfs/dbraw/zinc/79/58/58/387795858.db2.gz BIORASSIWFJFRB-JTQLQIEISA-N 1 2 201.260 2.826 20 0 BFADLO COc1ccc[nH+]c1N1CC2(CCC2)C[C@H]1C ZINC000527984610 387802726 /nfs/dbraw/zinc/80/27/26/387802726.db2.gz ZTQHNZBDXBLQPZ-LLVKDONJSA-N 1 2 232.327 2.859 20 0 BFADLO O=C(CCC1CCC1)Nc1c[nH+]c2n1CCCC2 ZINC000452333844 387804464 /nfs/dbraw/zinc/80/44/64/387804464.db2.gz KUQFVIRUSTZTRA-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO CC(C)CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331490 387805046 /nfs/dbraw/zinc/80/50/46/387805046.db2.gz DHOLIBSFIQMOMY-UHFFFAOYSA-N 1 2 235.331 2.594 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334221 387805289 /nfs/dbraw/zinc/80/52/89/387805289.db2.gz MAVSZILWMYNMFD-MNOVXSKESA-N 1 2 249.358 2.840 20 0 BFADLO COc1ccc[nH+]c1NCC1(C(F)F)CC1 ZINC000527995115 387806125 /nfs/dbraw/zinc/80/61/25/387806125.db2.gz SLSKTMYGDMXANV-UHFFFAOYSA-N 1 2 228.242 2.547 20 0 BFADLO c1c[nH+]c(CNc2ccc3ncccc3c2)[nH]1 ZINC000054108161 387824684 /nfs/dbraw/zinc/82/46/84/387824684.db2.gz RKXYIKCQYSCLBL-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO CO[C@@H](C)CN(C)c1[nH+]ccc2ccccc21 ZINC000528019246 387826863 /nfs/dbraw/zinc/82/68/63/387826863.db2.gz RZTXGQCZSTUZEA-NSHDSACASA-N 1 2 230.311 2.706 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442799979 387843495 /nfs/dbraw/zinc/84/34/95/387843495.db2.gz JJQPYVGWWSLCTQ-AXFHLTTASA-N 1 2 237.347 2.659 20 0 BFADLO Cc1ccc2cccc(NCc3[nH]cc[nH+]3)c2n1 ZINC000061875027 387847803 /nfs/dbraw/zinc/84/78/03/387847803.db2.gz LVOYNMJRKYEHIX-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2ccoc2c1 ZINC000442851594 387851909 /nfs/dbraw/zinc/85/19/09/387851909.db2.gz FJUXWJFRQPZALO-UHFFFAOYSA-N 1 2 227.267 2.778 20 0 BFADLO c1ccc2c(c1)cc[nH+]c2N1CC2(C1)CCCO2 ZINC000528145331 387855115 /nfs/dbraw/zinc/85/51/15/387855115.db2.gz AFDZYENNHJRJTM-UHFFFAOYSA-N 1 2 240.306 2.604 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000528036374 387817259 /nfs/dbraw/zinc/81/72/59/387817259.db2.gz QSXFEESKKPXNOM-HBNTYKKESA-N 1 2 220.316 2.571 20 0 BFADLO Cc1ccccc1C[C@H](C)Nc1c[nH]c[nH+]1 ZINC000309536275 387817656 /nfs/dbraw/zinc/81/76/56/387817656.db2.gz FDDKUZGCAFFPNJ-NSHDSACASA-N 1 2 215.300 2.761 20 0 BFADLO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCOC1)C(F)(F)F ZINC000309539759 387818648 /nfs/dbraw/zinc/81/86/48/387818648.db2.gz GDOIFJTVDJMJDL-DTWKUNHWSA-N 1 2 239.281 2.590 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000424184258 387897094 /nfs/dbraw/zinc/89/70/94/387897094.db2.gz LWYBLJSHYHOSPA-CSMHCCOUSA-N 1 2 209.255 2.961 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245440338 387944854 /nfs/dbraw/zinc/94/48/54/387944854.db2.gz ULMAWLTYVZGEGB-OBJOEFQTSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245440338 387944857 /nfs/dbraw/zinc/94/48/57/387944857.db2.gz ULMAWLTYVZGEGB-OBJOEFQTSA-N 1 2 247.338 2.631 20 0 BFADLO C[C@H]1C[N@H+](CC2=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000645811030 387962757 /nfs/dbraw/zinc/96/27/57/387962757.db2.gz RXDSWVXNKKRPJU-GXSJLCMTSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1C[N@@H+](CC2=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000645811030 387962760 /nfs/dbraw/zinc/96/27/60/387962760.db2.gz RXDSWVXNKKRPJU-GXSJLCMTSA-N 1 2 249.276 2.748 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000424313694 387965696 /nfs/dbraw/zinc/96/56/96/387965696.db2.gz BJGZDGMOZYBJQW-JBDRJPRFSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1ccoc1CNc1ccc[nH+]c1C ZINC000158879003 387968467 /nfs/dbraw/zinc/96/84/67/387968467.db2.gz FJXDZEZTQUDGBA-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)cc1F ZINC000245752170 387980149 /nfs/dbraw/zinc/98/01/49/387980149.db2.gz NZDZFORJMBQJAD-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)cc1F ZINC000245752170 387980154 /nfs/dbraw/zinc/98/01/54/387980154.db2.gz NZDZFORJMBQJAD-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000245747568 387980362 /nfs/dbraw/zinc/98/03/62/387980362.db2.gz NDUVBHCQCAOSTD-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1 ZINC000245747568 387980367 /nfs/dbraw/zinc/98/03/67/387980367.db2.gz NDUVBHCQCAOSTD-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@H](CO)[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000159129618 387985561 /nfs/dbraw/zinc/98/55/61/387985561.db2.gz WGQKZPDLBFOUEK-MRVPVSSYSA-N 1 2 248.153 2.806 20 0 BFADLO C[C@H](CO)[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000159129618 387985565 /nfs/dbraw/zinc/98/55/65/387985565.db2.gz WGQKZPDLBFOUEK-MRVPVSSYSA-N 1 2 248.153 2.806 20 0 BFADLO COCCC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423217564 387999751 /nfs/dbraw/zinc/99/97/51/387999751.db2.gz QHGSKTVIZAYZRQ-LLVKDONJSA-N 1 2 234.343 2.882 20 0 BFADLO COCCC[C@@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217564 387999755 /nfs/dbraw/zinc/99/97/55/387999755.db2.gz QHGSKTVIZAYZRQ-LLVKDONJSA-N 1 2 234.343 2.882 20 0 BFADLO Cn1c[nH+]cc1COc1cccc2ncccc21 ZINC000439561596 388009267 /nfs/dbraw/zinc/00/92/67/388009267.db2.gz OEPZKFMMVUYRAD-UHFFFAOYSA-N 1 2 239.278 2.547 20 0 BFADLO CCCc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000439553451 388009778 /nfs/dbraw/zinc/00/97/78/388009778.db2.gz XMVHDXNZUOHCKW-UHFFFAOYSA-N 1 2 230.311 2.952 20 0 BFADLO CC(C)CCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000450370076 387996543 /nfs/dbraw/zinc/99/65/43/387996543.db2.gz VHRYZUQPLUKYFK-LBPRGKRZSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(F)(F)F ZINC000453234667 388018699 /nfs/dbraw/zinc/01/86/99/388018699.db2.gz XIAXGQWGPBVWNP-HLTSFMKQSA-N 1 2 247.264 2.819 20 0 BFADLO CC[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)C(F)(F)F ZINC000453234666 388019190 /nfs/dbraw/zinc/01/91/90/388019190.db2.gz XIAXGQWGPBVWNP-CIUDSAMLSA-N 1 2 247.264 2.819 20 0 BFADLO Cc1cc(NCC2(C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000440201555 388036209 /nfs/dbraw/zinc/03/62/09/388036209.db2.gz WTQLVMMCOJJXGD-UHFFFAOYSA-N 1 2 245.370 2.932 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H](C)C(C)(C)C)no1 ZINC000533250007 388039304 /nfs/dbraw/zinc/03/93/04/388039304.db2.gz OBHUBIVLIWOQRP-SNVBAGLBSA-N 1 2 239.363 2.889 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H](C)C(C)(C)C)no1 ZINC000533250007 388039308 /nfs/dbraw/zinc/03/93/08/388039308.db2.gz OBHUBIVLIWOQRP-SNVBAGLBSA-N 1 2 239.363 2.889 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccco1 ZINC000453350986 388054877 /nfs/dbraw/zinc/05/48/77/388054877.db2.gz KJHFKGPAJIYCJB-SECBINFHSA-N 1 2 232.283 2.996 20 0 BFADLO C1=C(C[N@@H+]2Cc3cccnc3C2)CCC1 ZINC000645896879 388055611 /nfs/dbraw/zinc/05/56/11/388055611.db2.gz GMJWYBUQXIMYGZ-UHFFFAOYSA-N 1 2 200.285 2.508 20 0 BFADLO C1=C(C[N@H+]2Cc3cccnc3C2)CCC1 ZINC000645896879 388055614 /nfs/dbraw/zinc/05/56/14/388055614.db2.gz GMJWYBUQXIMYGZ-UHFFFAOYSA-N 1 2 200.285 2.508 20 0 BFADLO Clc1ccccc1C1([NH2+]Cc2cnc[nH]2)CC1 ZINC000645978409 388114342 /nfs/dbraw/zinc/11/43/42/388114342.db2.gz LFVPCHKVVLNZJK-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO COC[C@@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000440654165 388063409 /nfs/dbraw/zinc/06/34/09/388063409.db2.gz XNACDTWFCGWMTL-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO CC(C)(C)CC[C@H](CO)Nc1cccc[nH+]1 ZINC000336657643 388070981 /nfs/dbraw/zinc/07/09/81/388070981.db2.gz IMBMGQDTSKNDJN-LLVKDONJSA-N 1 2 222.332 2.681 20 0 BFADLO Cc1[nH+]cccc1NCc1cccc(O)c1 ZINC000085711525 388095780 /nfs/dbraw/zinc/09/57/80/388095780.db2.gz SVKXKVUPHYBZKF-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO CC[N@H+](CCC(C)(C)O)c1cccc(C)c1 ZINC000086234030 388100880 /nfs/dbraw/zinc/10/08/80/388100880.db2.gz FIUKXGVUPQEYFM-UHFFFAOYSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC(C)(C)O)c1cccc(C)c1 ZINC000086234030 388100882 /nfs/dbraw/zinc/10/08/82/388100882.db2.gz FIUKXGVUPQEYFM-UHFFFAOYSA-N 1 2 221.344 2.982 20 0 BFADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1nccs1 ZINC000086510418 388104631 /nfs/dbraw/zinc/10/46/31/388104631.db2.gz ODRURUQXOMJNKC-CMPLNLGQSA-N 1 2 248.351 2.527 20 0 BFADLO Cc1cc(C)c(CNC(=O)NCC(C)(C)C)c[nH+]1 ZINC000454391560 388116248 /nfs/dbraw/zinc/11/62/48/388116248.db2.gz TXXHXCJMHINTOW-UHFFFAOYSA-N 1 2 249.358 2.544 20 0 BFADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@H](F)CC ZINC000440502593 388045501 /nfs/dbraw/zinc/04/55/01/388045501.db2.gz HTCRYYDGWMVPDE-LLVKDONJSA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@H](F)CC ZINC000440502593 388045506 /nfs/dbraw/zinc/04/55/06/388045506.db2.gz HTCRYYDGWMVPDE-LLVKDONJSA-N 1 2 247.354 2.788 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C)Cc2cncnc2)c1 ZINC000446974334 388046518 /nfs/dbraw/zinc/04/65/18/388046518.db2.gz ICVJEVJFUIAGBM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cncnc2)c1 ZINC000446974334 388046522 /nfs/dbraw/zinc/04/65/22/388046522.db2.gz ICVJEVJFUIAGBM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000648720686 388157877 /nfs/dbraw/zinc/15/78/77/388157877.db2.gz XDRDKUMLXDAMDL-JBLDHEPKSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000648720686 388157879 /nfs/dbraw/zinc/15/78/79/388157879.db2.gz XDRDKUMLXDAMDL-JBLDHEPKSA-N 1 2 223.291 2.947 20 0 BFADLO Cc1cc(NC(=O)C2=CCC(C)(C)CC2)cc[nH+]1 ZINC000455645336 388165965 /nfs/dbraw/zinc/16/59/65/388165965.db2.gz QHSVYGJJCFVOMI-UHFFFAOYSA-N 1 2 244.338 2.887 20 0 BFADLO Clc1ccc(/C=C/C[NH+]2CCOCC2)cc1 ZINC000179484259 256515060 /nfs/dbraw/zinc/51/50/60/256515060.db2.gz MMUTZCOCEIMCNP-OWOJBTEDSA-N 1 2 237.730 2.685 20 0 BFADLO Cc1ccncc1C[N@H+](C)Cc1ccncc1F ZINC000449304765 388170708 /nfs/dbraw/zinc/17/07/08/388170708.db2.gz ZWMVTQCIOWYTEM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccncc1C[N@@H+](C)Cc1ccncc1F ZINC000449304765 388170711 /nfs/dbraw/zinc/17/07/11/388170711.db2.gz ZWMVTQCIOWYTEM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645909679 388177254 /nfs/dbraw/zinc/17/72/54/388177254.db2.gz TYICTFBYVQQQTE-KOLCDFICSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CC1=CCCC1 ZINC000645909679 388177255 /nfs/dbraw/zinc/17/72/55/388177255.db2.gz TYICTFBYVQQQTE-KOLCDFICSA-N 1 2 249.276 2.748 20 0 BFADLO CC[C@@H]([NH2+]Cc1sccc1OC)C(F)F ZINC000449362840 388182234 /nfs/dbraw/zinc/18/22/34/388182234.db2.gz NQXSBWMQXIGAOR-SSDOTTSWSA-N 1 2 235.299 2.890 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnc(C)s1)C(F)F ZINC000449365849 388183041 /nfs/dbraw/zinc/18/30/41/388183041.db2.gz XARZQYDDQJVPQE-MRVPVSSYSA-N 1 2 220.288 2.585 20 0 BFADLO Cc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1F ZINC000448990360 388126401 /nfs/dbraw/zinc/12/64/01/388126401.db2.gz GWPDVBFGUBPHTJ-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO CC[C@@H]1C[C@H]1CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000455048399 388147230 /nfs/dbraw/zinc/14/72/30/388147230.db2.gz QEUFJKXBYFGSMQ-NEPJUHHUSA-N 1 2 247.342 2.866 20 0 BFADLO CC(C)Oc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449381977 388188883 /nfs/dbraw/zinc/18/88/83/388188883.db2.gz UKMPRQDFHVOIPM-UHFFFAOYSA-N 1 2 243.297 2.871 20 0 BFADLO Cc1ccc(C[NH2+]C(CF)CF)cc1F ZINC000449381974 388189103 /nfs/dbraw/zinc/18/91/03/388189103.db2.gz UJOUEDCPXWXMJV-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000449391033 388191786 /nfs/dbraw/zinc/19/17/86/388191786.db2.gz HLKGSTDGTWYZLF-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449391033 388191788 /nfs/dbraw/zinc/19/17/88/388191788.db2.gz HLKGSTDGTWYZLF-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO Fc1cccc2[nH]c(C[N@H+]3CC[C@H](F)C3)cc21 ZINC000449392106 388193453 /nfs/dbraw/zinc/19/34/53/388193453.db2.gz IXASKTVYFHPIKH-VIFPVBQESA-N 1 2 236.265 2.851 20 0 BFADLO Fc1cccc2[nH]c(C[N@@H+]3CC[C@H](F)C3)cc21 ZINC000449392106 388193454 /nfs/dbraw/zinc/19/34/54/388193454.db2.gz IXASKTVYFHPIKH-VIFPVBQESA-N 1 2 236.265 2.851 20 0 BFADLO CCCC1(C(=O)N[C@H](C)c2[nH+]ccn2CC)CC1 ZINC000456336515 388195281 /nfs/dbraw/zinc/19/52/81/388195281.db2.gz AMIXNFHYFIPVGZ-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456401540 388199165 /nfs/dbraw/zinc/19/91/65/388199165.db2.gz VSJYDBFPOVKWNK-SDDRHHMPSA-N 1 2 249.358 2.831 20 0 BFADLO CCCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456398825 388199379 /nfs/dbraw/zinc/19/93/79/388199379.db2.gz UOZPYJNLSSCYCI-MNOVXSKESA-N 1 2 235.331 2.585 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)C)c2[nH+]ccn21 ZINC000456405793 388199500 /nfs/dbraw/zinc/19/95/00/388199500.db2.gz XRWFUPYRWLLCOQ-GHMZBOCLSA-N 1 2 249.358 2.831 20 0 BFADLO CCC[C@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456402104 388199602 /nfs/dbraw/zinc/19/96/02/388199602.db2.gz VWOXNYXWNPNJSJ-QWRGUYRKSA-N 1 2 237.347 2.516 20 0 BFADLO CCCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000456439139 388201438 /nfs/dbraw/zinc/20/14/38/388201438.db2.gz XYFNWJDCKOFFIW-MNOVXSKESA-N 1 2 247.342 2.585 20 0 BFADLO C[N@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CC1(C)C ZINC000489407924 388211697 /nfs/dbraw/zinc/21/16/97/388211697.db2.gz RHTHTMJSQCCVDN-LLVKDONJSA-N 1 2 249.358 2.958 20 0 BFADLO C[N@@H+](Cc1nc(C2CCCC2)no1)[C@@H]1CC1(C)C ZINC000489407924 388211700 /nfs/dbraw/zinc/21/17/00/388211700.db2.gz RHTHTMJSQCCVDN-LLVKDONJSA-N 1 2 249.358 2.958 20 0 BFADLO CCCC1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000456829587 388226528 /nfs/dbraw/zinc/22/65/28/388226528.db2.gz CQOPFAKFUNEBPR-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO COC1C[NH+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000459577709 388246597 /nfs/dbraw/zinc/24/65/97/388246597.db2.gz HRMJLYNDKLGRRW-UHFFFAOYSA-N 1 2 245.322 2.880 20 0 BFADLO CC[C@H](C)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000451856114 388301265 /nfs/dbraw/zinc/30/12/65/388301265.db2.gz TWCRCGYVSJXSIV-AWEZNQCLSA-N 1 2 236.403 2.903 20 0 BFADLO CCn1cc[nH+]c1/C=C/C(=O)N(C)C(C)(C)CC ZINC000491964044 388329782 /nfs/dbraw/zinc/32/97/82/388329782.db2.gz NNBIZYXQRHWEAQ-CMDGGOBGSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccn2)o1 ZINC000451369719 388265764 /nfs/dbraw/zinc/26/57/64/388265764.db2.gz SBPYITWKIGBOFC-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccn2)o1 ZINC000451369719 388265767 /nfs/dbraw/zinc/26/57/67/388265767.db2.gz SBPYITWKIGBOFC-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)(C)OC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451462261 388275771 /nfs/dbraw/zinc/27/57/71/388275771.db2.gz CJDKRBLRWTVUJV-NSHDSACASA-N 1 2 239.359 2.641 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275755305 388346521 /nfs/dbraw/zinc/34/65/21/388346521.db2.gz SJLSKQAUFUXOQX-RYUDHWBXSA-N 1 2 244.342 2.535 20 0 BFADLO CC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000163838425 388368743 /nfs/dbraw/zinc/36/87/43/388368743.db2.gz JBHBOZTUSAFXBZ-ZDUSSCGKSA-N 1 2 233.290 2.790 20 0 BFADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)C1CCCC1 ZINC000235561051 388371855 /nfs/dbraw/zinc/37/18/55/388371855.db2.gz VBBYZVCZNMPXAD-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)C1CCCC1 ZINC000235561051 388371857 /nfs/dbraw/zinc/37/18/57/388371857.db2.gz VBBYZVCZNMPXAD-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)CC(C)C ZINC000236916783 388386660 /nfs/dbraw/zinc/38/66/60/388386660.db2.gz RKTVYXDSYCAHIS-NEPJUHHUSA-N 1 2 242.407 2.548 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2c(c1)CCCC2 ZINC000294713836 388403258 /nfs/dbraw/zinc/40/32/58/388403258.db2.gz DYNMJSANIJDLFU-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1ccc(NC(=O)/C=C/C2CCC2)c(C)[nH+]1 ZINC000492112451 388335480 /nfs/dbraw/zinc/33/54/80/388335480.db2.gz UIFIBKARWSNQPC-VQHVLOKHSA-N 1 2 230.311 2.993 20 0 BFADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccsc1 ZINC000492250541 388339462 /nfs/dbraw/zinc/33/94/62/388339462.db2.gz IHQCXXOVVMCNPS-ARJAWSKDSA-N 1 2 247.323 2.616 20 0 BFADLO c1cc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000309695871 388461263 /nfs/dbraw/zinc/46/12/63/388461263.db2.gz RHGRXCLUTUISIB-IAZYJMLFSA-N 1 2 215.300 2.564 20 0 BFADLO Fc1c[nH+]ccc1NCc1ccsc1Cl ZINC000336723444 388468889 /nfs/dbraw/zinc/46/88/89/388468889.db2.gz FMORDSHGWRQJHS-UHFFFAOYSA-N 1 2 242.706 2.970 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134310330 388476373 /nfs/dbraw/zinc/47/63/73/388476373.db2.gz MCIHQOBGFCBGOA-IUCAKERBSA-N 1 2 226.345 2.639 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000393450610 388430776 /nfs/dbraw/zinc/43/07/76/388430776.db2.gz WNLDJQWKIJVKMC-UHFFFAOYSA-N 1 2 224.254 2.913 20 0 BFADLO Cc1cc(NC(=O)CCc2ccoc2)cc[nH+]1 ZINC000175405123 388430799 /nfs/dbraw/zinc/43/07/99/388430799.db2.gz CDRZEDAVDRIBOH-UHFFFAOYSA-N 1 2 230.267 2.554 20 0 BFADLO Cc1cc(NC(=O)C[C@H](C)c2ccco2)cc[nH+]1 ZINC000528533295 388543339 /nfs/dbraw/zinc/54/33/39/388543339.db2.gz IHRZSGKWLDBRKQ-JTQLQIEISA-N 1 2 244.294 2.537 20 0 BFADLO C[C@@H]1CCCC[N@H+](Cc2nnsc2Cl)C1 ZINC000547836317 388491900 /nfs/dbraw/zinc/49/19/00/388491900.db2.gz VWBCOHJVJMEFTN-MRVPVSSYSA-N 1 2 245.779 2.814 20 0 BFADLO C[C@@H]1CCCC[N@@H+](Cc2nnsc2Cl)C1 ZINC000547836317 388491902 /nfs/dbraw/zinc/49/19/02/388491902.db2.gz VWBCOHJVJMEFTN-MRVPVSSYSA-N 1 2 245.779 2.814 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000397846082 388505077 /nfs/dbraw/zinc/50/50/77/388505077.db2.gz XROVWPKYPJTQQY-ZSBIGDGJSA-N 1 2 231.343 2.541 20 0 BFADLO COC(=O)c1sccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000548097471 388510346 /nfs/dbraw/zinc/51/03/46/388510346.db2.gz GVVWATBIRUZOKQ-DTORHVGOSA-N 1 2 239.340 2.517 20 0 BFADLO COC(=O)c1sccc1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548097471 388510348 /nfs/dbraw/zinc/51/03/48/388510348.db2.gz GVVWATBIRUZOKQ-DTORHVGOSA-N 1 2 239.340 2.517 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1nccs1 ZINC000345347565 388512260 /nfs/dbraw/zinc/51/22/60/388512260.db2.gz DSFGBVFPPDPUKW-KXUCPTDWSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1nccs1 ZINC000345347565 388512263 /nfs/dbraw/zinc/51/22/63/388512263.db2.gz DSFGBVFPPDPUKW-KXUCPTDWSA-N 1 2 248.355 2.696 20 0 BFADLO CC[C@H](NC(=O)CC(C)(C)C1CC1)c1[nH]cc[nH+]1 ZINC000346917622 388522350 /nfs/dbraw/zinc/52/23/50/388522350.db2.gz UFMMQHLOKSEUGR-NSHDSACASA-N 1 2 249.358 2.803 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000528502414 388536861 /nfs/dbraw/zinc/53/68/61/388536861.db2.gz HUJHMGJNIHXUPQ-VHODGJRUSA-N 1 2 241.722 2.658 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000528502414 388536863 /nfs/dbraw/zinc/53/68/63/388536863.db2.gz HUJHMGJNIHXUPQ-VHODGJRUSA-N 1 2 241.722 2.658 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000328317911 388601862 /nfs/dbraw/zinc/60/18/62/388601862.db2.gz DBBAYBZANXZKLL-HAQNSBGRSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000185677806 256856467 /nfs/dbraw/zinc/85/64/67/256856467.db2.gz FJTDUWRYJSGSHY-RYUDHWBXSA-N 1 2 232.327 2.929 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccns2)[C@@H](CC)CO1 ZINC000630073268 388615575 /nfs/dbraw/zinc/61/55/75/388615575.db2.gz SFGPQILYJPGWQN-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccns2)[C@@H](CC)CO1 ZINC000630073268 388615576 /nfs/dbraw/zinc/61/55/76/388615576.db2.gz SFGPQILYJPGWQN-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccns1 ZINC000630073202 388615608 /nfs/dbraw/zinc/61/56/08/388615608.db2.gz BENKSMWILDZYDX-UHFFFAOYSA-N 1 2 234.315 2.914 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2[C@H](C3CC3)[C@@H]2C)c(C)[nH+]1 ZINC000528811228 388575585 /nfs/dbraw/zinc/57/55/85/388575585.db2.gz JHYUGCXUNWSINT-QCZZGDTMSA-N 1 2 244.338 2.929 20 0 BFADLO FC(F)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000124928049 388667054 /nfs/dbraw/zinc/66/70/54/388667054.db2.gz QQOGLSPWMXIUQU-UHFFFAOYSA-N 1 2 223.226 2.959 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000125352983 388670799 /nfs/dbraw/zinc/67/07/99/388670799.db2.gz UBRVTEHQBIYYQS-VXGBXAGGSA-N 1 2 249.358 2.745 20 0 BFADLO COc1cc(C)ccc1[NH2+]CC[C@@H]1CCCO1 ZINC000189623314 388640004 /nfs/dbraw/zinc/64/00/04/388640004.db2.gz MOJPFTIQDGOPGO-LBPRGKRZSA-N 1 2 235.327 2.985 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000246675104 388648914 /nfs/dbraw/zinc/64/89/14/388648914.db2.gz JOQRNUFUUVPQBI-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000246675104 388648916 /nfs/dbraw/zinc/64/89/16/388648916.db2.gz JOQRNUFUUVPQBI-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC1CCOCC1 ZINC000530383629 388653059 /nfs/dbraw/zinc/65/30/59/388653059.db2.gz MBVLNKKCLMSIMJ-UHFFFAOYSA-N 1 2 235.327 2.758 20 0 BFADLO Cc1cc(N)nc(SC2CCCCC2)[nH+]1 ZINC000067652987 388737613 /nfs/dbraw/zinc/73/76/13/388737613.db2.gz CRQIVBMJZCQDNH-UHFFFAOYSA-N 1 2 223.345 2.792 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000249044999 388706001 /nfs/dbraw/zinc/70/60/01/388706001.db2.gz FXKVLNSOBCDTJD-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000249044999 388706002 /nfs/dbraw/zinc/70/60/02/388706002.db2.gz FXKVLNSOBCDTJD-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO CC[N@H+](Cc1nnc(C)o1)Cc1ccc(C)cc1 ZINC000554181089 388804072 /nfs/dbraw/zinc/80/40/72/388804072.db2.gz NVZSQNJGLBMHCL-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nnc(C)o1)Cc1ccc(C)cc1 ZINC000554181089 388804077 /nfs/dbraw/zinc/80/40/77/388804077.db2.gz NVZSQNJGLBMHCL-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO Cn1c[nH+]cc1CNc1cc(F)cc(Cl)c1 ZINC000128479555 388763428 /nfs/dbraw/zinc/76/34/28/388763428.db2.gz AMOXRDFBLLIJAB-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000362374680 177709327 /nfs/dbraw/zinc/70/93/27/177709327.db2.gz XUIJCSOZEQQSCU-VXGBXAGGSA-N 1 2 231.343 2.541 20 0 BFADLO CC[N@@H+](Cc1nnsc1Cl)CC1CCC1 ZINC000230313471 388824282 /nfs/dbraw/zinc/82/42/82/388824282.db2.gz YVXWKVWEOUEEBS-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO CC[N@H+](Cc1nnsc1Cl)CC1CCC1 ZINC000230313471 388824284 /nfs/dbraw/zinc/82/42/84/388824284.db2.gz YVXWKVWEOUEEBS-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CCC2(CCCC2)CC1 ZINC000093085446 388825411 /nfs/dbraw/zinc/82/54/11/388825411.db2.gz CDJGTGPFENKWBQ-UHFFFAOYSA-N 1 2 233.359 2.874 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2F)o1 ZINC000541688902 388865105 /nfs/dbraw/zinc/86/51/05/388865105.db2.gz CPCLCLLRYNPBJS-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)/C=C\C(C)(C)C ZINC000254967434 388868591 /nfs/dbraw/zinc/86/85/91/388868591.db2.gz QADAUFIXNQIJFG-ALCCZGGFSA-N 1 2 218.300 2.931 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1F ZINC000565100125 388914755 /nfs/dbraw/zinc/91/47/55/388914755.db2.gz PWFSHENVEBBMFX-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@H](F)C2)c1F ZINC000565100125 388914752 /nfs/dbraw/zinc/91/47/52/388914752.db2.gz PWFSHENVEBBMFX-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@@H](F)C2)c1F ZINC000565100128 388915505 /nfs/dbraw/zinc/91/55/05/388915505.db2.gz PWFSHENVEBBMFX-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1F ZINC000565100128 388915507 /nfs/dbraw/zinc/91/55/07/388915507.db2.gz PWFSHENVEBBMFX-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO CCC[N@H+](Cc1noc(C2CC2)n1)C(C)C ZINC000565170945 388921948 /nfs/dbraw/zinc/92/19/48/388921948.db2.gz JMHIDVJEIAALTQ-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CCC[N@@H+](Cc1noc(C2CC2)n1)C(C)C ZINC000565170945 388921951 /nfs/dbraw/zinc/92/19/51/388921951.db2.gz JMHIDVJEIAALTQ-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO COCC1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000565225502 388928688 /nfs/dbraw/zinc/92/86/88/388928688.db2.gz FGKWUDQBRHXVIY-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH]c(CN[C@@H](C(C)C)C(F)(F)F)[nH+]c1C ZINC000565239671 388930625 /nfs/dbraw/zinc/93/06/25/388930625.db2.gz YNSRTSBQMIKTQE-JTQLQIEISA-N 1 2 249.280 2.703 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncon2)cs1 ZINC000565873468 388975371 /nfs/dbraw/zinc/97/53/71/388975371.db2.gz KZSNOENAQIMWLU-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncon2)cs1 ZINC000565873468 388975367 /nfs/dbraw/zinc/97/53/67/388975367.db2.gz KZSNOENAQIMWLU-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO CCC1(CNc2cccc[nH+]2)CCOCC1 ZINC000266728896 388996458 /nfs/dbraw/zinc/99/64/58/388996458.db2.gz NNBJPNXRNPOIMA-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO C[N@H+](CCF)Cc1ccccc1Cl ZINC000266878460 388997677 /nfs/dbraw/zinc/99/76/77/388997677.db2.gz NNRLMDICLUIFNR-UHFFFAOYSA-N 1 2 201.672 2.741 20 0 BFADLO C[N@@H+](CCF)Cc1ccccc1Cl ZINC000266878460 388997679 /nfs/dbraw/zinc/99/76/79/388997679.db2.gz NNRLMDICLUIFNR-UHFFFAOYSA-N 1 2 201.672 2.741 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000267754437 389000683 /nfs/dbraw/zinc/00/06/83/389000683.db2.gz YBCQCVICFVSWKX-ZDUSSCGKSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccncc2)s1 ZINC000273454330 389041572 /nfs/dbraw/zinc/04/15/72/389041572.db2.gz AHFLNCNQFTXUBW-RKDXNWHRSA-N 1 2 248.355 2.653 20 0 BFADLO CC(C)n1cc[nH+]c1CN(C)c1cccc(O)c1 ZINC000533381201 322817630 /nfs/dbraw/zinc/81/76/30/322817630.db2.gz RWHHAMORIVJZAI-UHFFFAOYSA-N 1 2 245.326 2.806 20 0 BFADLO C1=CCC(Nc2cc(N3CCCCC3)nc[nH+]2)C1 ZINC000163406229 533480353 /nfs/dbraw/zinc/48/03/53/533480353.db2.gz SHQZBCJLSMPLRM-UHFFFAOYSA-N 1 2 244.342 2.597 20 0 BFADLO C1=CCC(Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000163406229 533480357 /nfs/dbraw/zinc/48/03/57/533480357.db2.gz SHQZBCJLSMPLRM-UHFFFAOYSA-N 1 2 244.342 2.597 20 0 BFADLO C[C@@H]1CCCC[C@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493280619 533629576 /nfs/dbraw/zinc/62/95/76/533629576.db2.gz BEBUMLAIFUXMBC-GULGNGMXSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cccc2c1CN(c1cc[nH+]c(C)n1)CC2 ZINC000277259711 132207108 /nfs/dbraw/zinc/20/71/08/132207108.db2.gz WRILTGMVYPTRAE-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO Cc1nc(N2CCC=C(c3ccco3)C2)cc[nH+]1 ZINC000286576738 132215148 /nfs/dbraw/zinc/21/51/48/132215148.db2.gz MPIORVPLYXQWNM-UHFFFAOYSA-N 1 2 241.294 2.672 20 0 BFADLO Fc1ccc2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000135551587 132240326 /nfs/dbraw/zinc/24/03/26/132240326.db2.gz MLXQXPFCTHYRNG-UHFFFAOYSA-N 1 2 228.270 2.783 20 0 BFADLO Cc1cc(N2CCC(CF)CC2)nc(C2CC2)[nH+]1 ZINC000336266103 132245852 /nfs/dbraw/zinc/24/58/52/132245852.db2.gz LMWLTVNXYSBONN-UHFFFAOYSA-N 1 2 249.333 2.848 20 0 BFADLO CC1=CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000336503661 132248192 /nfs/dbraw/zinc/24/81/92/132248192.db2.gz QHSLWUCREKSRPW-UHFFFAOYSA-N 1 2 217.316 2.756 20 0 BFADLO Cc1cc(N2CCC[C@@H]3CCC[C@H]32)nc[nH+]1 ZINC000301457494 132253937 /nfs/dbraw/zinc/25/39/37/132253937.db2.gz NDYDUNGRKQUORE-NWDGAFQWSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000302675760 132265368 /nfs/dbraw/zinc/26/53/68/132265368.db2.gz MQTXQZRKFKJCFV-FOGDFJRCSA-N 1 2 219.332 2.656 20 0 BFADLO Cc1cc(N2CCCC3(CCC3)C2)nc[nH+]1 ZINC000359740280 132277436 /nfs/dbraw/zinc/27/74/36/132277436.db2.gz QSVDDIZYQZYBJP-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO Cc1cc(N2CCC[C@@H](O)C2)[nH+]c2ccccc12 ZINC000046341226 132299807 /nfs/dbraw/zinc/29/98/07/132299807.db2.gz RSKIIFKFBVERJC-GFCCVEGCSA-N 1 2 242.322 2.504 20 0 BFADLO CCCN(CC)c1cc(N2CCCCC2)nc[nH+]1 ZINC000357498635 132365706 /nfs/dbraw/zinc/36/57/06/132365706.db2.gz CCAQTCFSWBUYHQ-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO CCCN(CC)c1cc(N2CCCCC2)[nH+]cn1 ZINC000357498635 132365707 /nfs/dbraw/zinc/36/57/07/132365707.db2.gz CCAQTCFSWBUYHQ-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@H+]2CC[C@@H](C)F)o1 ZINC000352001923 134025646 /nfs/dbraw/zinc/02/56/46/134025646.db2.gz DJSVGKAAUSBVLS-PWSUYJOCSA-N 1 2 241.306 2.709 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@@H+]2CC[C@@H](C)F)o1 ZINC000352001923 134025647 /nfs/dbraw/zinc/02/56/47/134025647.db2.gz DJSVGKAAUSBVLS-PWSUYJOCSA-N 1 2 241.306 2.709 20 0 BFADLO C[N@H+](Cc1cc(O)cc(F)c1)Cc1ccccn1 ZINC000351981994 134025944 /nfs/dbraw/zinc/02/59/44/134025944.db2.gz MWQURZJKGLTIEI-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1cc(O)cc(F)c1)Cc1ccccn1 ZINC000351981994 134025945 /nfs/dbraw/zinc/02/59/45/134025945.db2.gz MWQURZJKGLTIEI-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000336023187 134056421 /nfs/dbraw/zinc/05/64/21/134056421.db2.gz NQGVZUKMIGZRFY-SNVBAGLBSA-N 1 2 235.331 2.961 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccoc1 ZINC000336023167 134056438 /nfs/dbraw/zinc/05/64/38/134056438.db2.gz HUSCALURDOGHBR-UHFFFAOYSA-N 1 2 245.282 2.613 20 0 BFADLO C[C@@H]1CCCC[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000336031706 134058581 /nfs/dbraw/zinc/05/85/81/134058581.db2.gz IYGWCPOOSRMEEG-MNOVXSKESA-N 1 2 246.314 2.608 20 0 BFADLO C[C@H]1CCCC[C@@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000336031709 134058847 /nfs/dbraw/zinc/05/88/47/134058847.db2.gz IYGWCPOOSRMEEG-QWRGUYRKSA-N 1 2 246.314 2.608 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC12CCCCC2 ZINC000336075850 134073196 /nfs/dbraw/zinc/07/31/96/134073196.db2.gz VRSFLLAVZSCMMX-LBPRGKRZSA-N 1 2 244.338 2.721 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000336190604 134123224 /nfs/dbraw/zinc/12/32/24/134123224.db2.gz SJZYNSPXSYTRJD-VIFPVBQESA-N 1 2 237.372 2.790 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000336190604 134123225 /nfs/dbraw/zinc/12/32/25/134123225.db2.gz SJZYNSPXSYTRJD-VIFPVBQESA-N 1 2 237.372 2.790 20 0 BFADLO CC(C)c1nnc(C[NH+]2[C@@H](C)C[C@@H]2C)s1 ZINC000336204281 134131353 /nfs/dbraw/zinc/13/13/53/134131353.db2.gz ZDHYYNNIJXWHCC-IUCAKERBSA-N 1 2 225.361 2.644 20 0 BFADLO CC(C)c1nnc(C[N@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000336204280 134131719 /nfs/dbraw/zinc/13/17/19/134131719.db2.gz ZDHYYNNIJXWHCC-DTORHVGOSA-N 1 2 225.361 2.644 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000336204280 134131720 /nfs/dbraw/zinc/13/17/20/134131720.db2.gz ZDHYYNNIJXWHCC-DTORHVGOSA-N 1 2 225.361 2.644 20 0 BFADLO CS[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336210150 134133905 /nfs/dbraw/zinc/13/39/05/134133905.db2.gz MBXNHTSYNCNZSV-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336210150 134133906 /nfs/dbraw/zinc/13/39/06/134133906.db2.gz MBXNHTSYNCNZSV-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO Cc1cc(NCC2CC2)nc(-c2ccncc2)[nH+]1 ZINC000171829772 134260848 /nfs/dbraw/zinc/26/08/48/134260848.db2.gz VTBUSAXHMHMZPI-UHFFFAOYSA-N 1 2 240.310 2.669 20 0 BFADLO CC(=O)[C@@H](C)SCc1cn2cc(C)ccc2[nH+]1 ZINC000175186712 134286056 /nfs/dbraw/zinc/28/60/56/134286056.db2.gz LSKOKJSTQKLCNC-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)[C@@H]1C ZINC000177873916 134304039 /nfs/dbraw/zinc/30/40/39/134304039.db2.gz ILVGKBMZUKXGSL-NXEZZACHSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)[C@@H]1C ZINC000177873916 134304040 /nfs/dbraw/zinc/30/40/40/134304040.db2.gz ILVGKBMZUKXGSL-NXEZZACHSA-N 1 2 237.347 2.597 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOCC1CC1 ZINC000190770460 134564905 /nfs/dbraw/zinc/56/49/05/134564905.db2.gz ZXRCYIMMFPQENE-UHFFFAOYSA-N 1 2 235.327 2.758 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncccn2)c(C)o1 ZINC000054459663 134763337 /nfs/dbraw/zinc/76/33/37/134763337.db2.gz CPGSCIDWILYDBU-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncccn2)[C@H]1c1ccccc1 ZINC000248820982 135022625 /nfs/dbraw/zinc/02/26/25/135022625.db2.gz FORYSVHFKDQHII-SWLSCSKDSA-N 1 2 239.322 2.670 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncccn2)[C@H]1c1ccccc1 ZINC000248820982 135022627 /nfs/dbraw/zinc/02/26/27/135022627.db2.gz FORYSVHFKDQHII-SWLSCSKDSA-N 1 2 239.322 2.670 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2ncccc2C1 ZINC000366334870 135070318 /nfs/dbraw/zinc/07/03/18/135070318.db2.gz SSGLULUHGZMMJW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2ncccc2C1 ZINC000366334870 135070321 /nfs/dbraw/zinc/07/03/21/135070321.db2.gz SSGLULUHGZMMJW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1ccc(NCc2cccnc2)c(C)[nH+]1 ZINC000087151497 135107850 /nfs/dbraw/zinc/10/78/50/135107850.db2.gz CGXRUPURZBPIHL-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1ccc(NCc2ccccn2)c(C)[nH+]1 ZINC000087151833 135107973 /nfs/dbraw/zinc/10/79/73/135107973.db2.gz AYSMNGFXEVFYGR-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO COC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591894 135130751 /nfs/dbraw/zinc/13/07/51/135130751.db2.gz SXXSXOJMDCCMAU-ZETCQYMHSA-N 1 2 234.221 2.547 20 0 BFADLO Cc1c[nH+]c(CN2CC[C@H]2c2ccccc2)n1C ZINC000342789719 135318268 /nfs/dbraw/zinc/31/82/68/135318268.db2.gz MBSDQUSEEOEKDG-AWEZNQCLSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)n1C ZINC000342789719 135318270 /nfs/dbraw/zinc/31/82/70/135318270.db2.gz MBSDQUSEEOEKDG-AWEZNQCLSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)n1C ZINC000342789719 135318272 /nfs/dbraw/zinc/31/82/72/135318272.db2.gz MBSDQUSEEOEKDG-AWEZNQCLSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1c[nH+]c(CN2CC[C@@H]2c2ccccc2)n1C ZINC000342789721 135318483 /nfs/dbraw/zinc/31/84/83/135318483.db2.gz MBSDQUSEEOEKDG-CQSZACIVSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1C ZINC000342789721 135318485 /nfs/dbraw/zinc/31/84/85/135318485.db2.gz MBSDQUSEEOEKDG-CQSZACIVSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)n1C ZINC000342789721 135318487 /nfs/dbraw/zinc/31/84/87/135318487.db2.gz MBSDQUSEEOEKDG-CQSZACIVSA-N 1 2 241.338 2.676 20 0 BFADLO c1cc2c(nc[nH+]c2Sc2ccncc2)[nH]1 ZINC000342800321 135321070 /nfs/dbraw/zinc/32/10/70/135321070.db2.gz RHNBPTAEORKDSX-UHFFFAOYSA-N 1 2 228.280 2.504 20 0 BFADLO Cc1c[nH+]c(CN2CCC[C@@H]2c2ccco2)n1C ZINC000342775294 135327165 /nfs/dbraw/zinc/32/71/65/135327165.db2.gz FCSHBSIDNUQRHO-GFCCVEGCSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccco2)n1C ZINC000342775294 135327167 /nfs/dbraw/zinc/32/71/67/135327167.db2.gz FCSHBSIDNUQRHO-GFCCVEGCSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccco2)n1C ZINC000342775294 135327169 /nfs/dbraw/zinc/32/71/69/135327169.db2.gz FCSHBSIDNUQRHO-GFCCVEGCSA-N 1 2 245.326 2.659 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3ccc(F)cc32)CCO1 ZINC000334223413 135328909 /nfs/dbraw/zinc/32/89/09/135328909.db2.gz XDCHLQXPZGOKEX-JTQLQIEISA-N 1 2 246.285 2.599 20 0 BFADLO CN(CC(C)(C)O)c1[nH+]ccc2ccc(F)cc21 ZINC000334287897 135340052 /nfs/dbraw/zinc/34/00/52/135340052.db2.gz DLEQOWCOYIFSIH-UHFFFAOYSA-N 1 2 248.301 2.581 20 0 BFADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2cnccn2)n1 ZINC000080271880 135368165 /nfs/dbraw/zinc/36/81/65/135368165.db2.gz UIRMUZFCEHQECE-ZJUUUORDSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc(N2CC3(CCC3)[C@@H]2C2CC2)cc[nH+]1 ZINC000334367305 135374989 /nfs/dbraw/zinc/37/49/89/135374989.db2.gz RABJNZKBSAKOJR-ZDUSSCGKSA-N 1 2 229.327 2.554 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000334385941 135382233 /nfs/dbraw/zinc/38/22/33/135382233.db2.gz NOHXYZKBRVPQFX-CYBMUJFWSA-N 1 2 234.274 2.762 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000334385941 135382234 /nfs/dbraw/zinc/38/22/34/135382234.db2.gz NOHXYZKBRVPQFX-CYBMUJFWSA-N 1 2 234.274 2.762 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H]1CC1(C)C ZINC000334409627 135392018 /nfs/dbraw/zinc/39/20/18/135392018.db2.gz IYOBFDXIJAZECD-NSHDSACASA-N 1 2 247.342 2.961 20 0 BFADLO Cc1ccc(NC(=O)C[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000334406791 135393615 /nfs/dbraw/zinc/39/36/15/135393615.db2.gz HZISZVPTWSKILF-LDYMZIIASA-N 1 2 218.300 2.683 20 0 BFADLO Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000334406789 135393629 /nfs/dbraw/zinc/39/36/29/135393629.db2.gz HZISZVPTWSKILF-KCJUWKMLSA-N 1 2 218.300 2.683 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000096593277 135627526 /nfs/dbraw/zinc/62/75/26/135627526.db2.gz HBENKOFQGMLWKP-STQMWFEESA-N 1 2 249.354 2.906 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000334891885 135836250 /nfs/dbraw/zinc/83/62/50/135836250.db2.gz ZMQAUSNRVSEQBD-WCQYABFASA-N 1 2 234.343 2.925 20 0 BFADLO Cc1c(Cl)c(C[NH+]2CCC(C)CC2)nn1C ZINC000334987513 135858741 /nfs/dbraw/zinc/85/87/41/135858741.db2.gz YJTUZJAFPHMODF-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000347947056 136019591 /nfs/dbraw/zinc/01/95/91/136019591.db2.gz YUPIHTOIHDHHSJ-WOPDTQHZSA-N 1 2 247.342 2.509 20 0 BFADLO CCC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)OC ZINC000348176986 136042588 /nfs/dbraw/zinc/04/25/88/136042588.db2.gz XAMPDERJQSIABM-ZIAGYGMSSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1ccc(N[C@@H](C)C2CCOCC2)c(C)[nH+]1 ZINC000335330682 136053547 /nfs/dbraw/zinc/05/35/47/136053547.db2.gz FDRFIUNTRXTROF-NSHDSACASA-N 1 2 234.343 2.925 20 0 BFADLO C[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)CC1(C)C ZINC000335371600 136083476 /nfs/dbraw/zinc/08/34/76/136083476.db2.gz DMCPESCMCXWONM-JTQLQIEISA-N 1 2 249.358 2.815 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)CC1(C)C ZINC000335371600 136083477 /nfs/dbraw/zinc/08/34/77/136083477.db2.gz DMCPESCMCXWONM-JTQLQIEISA-N 1 2 249.358 2.815 20 0 BFADLO Cc1nc(N2CC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000335389410 136090218 /nfs/dbraw/zinc/09/02/18/136090218.db2.gz MPIZBIGYILTTHH-RYUDHWBXSA-N 1 2 217.316 2.554 20 0 BFADLO COc1cccc2c1cc[nH+]c2N1CC[C@@H](F)C1 ZINC000335400107 136093962 /nfs/dbraw/zinc/09/39/62/136093962.db2.gz LUFAVUZIDGDHMM-SNVBAGLBSA-N 1 2 246.285 2.792 20 0 BFADLO CS[C@H]1CC[C@H]1Nc1ccc[nH+]c1C ZINC000335557676 136100059 /nfs/dbraw/zinc/10/00/59/136100059.db2.gz ILCHFPNFLPXZBO-MNOVXSKESA-N 1 2 208.330 2.696 20 0 BFADLO CC(C)C1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000335584062 136101407 /nfs/dbraw/zinc/10/14/07/136101407.db2.gz IVMNKPJCYDBDPU-JTQLQIEISA-N 1 2 239.388 2.967 20 0 BFADLO Cc1cc(C)c(NC(=O)NC[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000335584935 136101887 /nfs/dbraw/zinc/10/18/87/136101887.db2.gz YHUMNEHYDGWSJI-UFBFGSQYSA-N 1 2 247.342 2.784 20 0 BFADLO CS[C@@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000335563127 136106744 /nfs/dbraw/zinc/10/67/44/136106744.db2.gz WKKXMULEOTWOSB-WDEREUQCSA-N 1 2 208.330 2.696 20 0 BFADLO CCC1CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000335577426 136111136 /nfs/dbraw/zinc/11/11/36/136111136.db2.gz DXRDAHOIGHCJOA-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO CCc1cccc(F)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000348673649 136113139 /nfs/dbraw/zinc/11/31/39/136113139.db2.gz NHXBYZOEFLXGDV-LLVKDONJSA-N 1 2 237.318 2.609 20 0 BFADLO CCc1cccc(F)c1C[N@H+]1CCO[C@H](C)C1 ZINC000348673649 136113140 /nfs/dbraw/zinc/11/31/40/136113140.db2.gz NHXBYZOEFLXGDV-LLVKDONJSA-N 1 2 237.318 2.609 20 0 BFADLO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1cscn1 ZINC000162419246 397779515 /nfs/dbraw/zinc/77/95/15/397779515.db2.gz CLKOBWLIQIJYLK-CMPLNLGQSA-N 1 2 248.351 2.527 20 0 BFADLO Fc1ccc(C[N@H+](Cc2cnc[nH]2)C2CC2)cc1 ZINC000178867199 397850293 /nfs/dbraw/zinc/85/02/93/397850293.db2.gz TZCFEUOLMMAQNF-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2cnc[nH]2)C2CC2)cc1 ZINC000178867199 397850295 /nfs/dbraw/zinc/85/02/95/397850295.db2.gz TZCFEUOLMMAQNF-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1ccc(C[N@H+](Cc2c[nH]cn2)C2CC2)cc1 ZINC000178867199 397850297 /nfs/dbraw/zinc/85/02/97/397850297.db2.gz TZCFEUOLMMAQNF-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2c[nH]cn2)C2CC2)cc1 ZINC000178867199 397850299 /nfs/dbraw/zinc/85/02/99/397850299.db2.gz TZCFEUOLMMAQNF-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO CC[N@@H+](Cc1nnsc1Cl)CC(C)C ZINC000036302734 397958416 /nfs/dbraw/zinc/95/84/16/397958416.db2.gz OEUHVRWPFWLXRW-UHFFFAOYSA-N 1 2 233.768 2.669 20 0 BFADLO CC[N@H+](Cc1nnsc1Cl)CC(C)C ZINC000036302734 397958418 /nfs/dbraw/zinc/95/84/18/397958418.db2.gz OEUHVRWPFWLXRW-UHFFFAOYSA-N 1 2 233.768 2.669 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3cocn3)CC2)c1 ZINC000192317132 397893356 /nfs/dbraw/zinc/89/33/56/397893356.db2.gz FYCMYKDDOJTTRC-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO C[C@H](CCCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354535584 397995099 /nfs/dbraw/zinc/99/50/99/397995099.db2.gz HQDOHRVGGSUWRH-SNVBAGLBSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1c[nH+]ccc1CCN1CCCC(F)(F)C1 ZINC000649696110 398044861 /nfs/dbraw/zinc/04/48/61/398044861.db2.gz UXDJFAQINFYVIV-UHFFFAOYSA-N 1 2 240.297 2.664 20 0 BFADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ncc[nH]1 ZINC000494274086 397999400 /nfs/dbraw/zinc/99/94/00/397999400.db2.gz NDXGTQYXAKZWQZ-RAXLEYEMSA-N 1 2 241.338 2.945 20 0 BFADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ncc[nH]1 ZINC000494274086 397999403 /nfs/dbraw/zinc/99/94/03/397999403.db2.gz NDXGTQYXAKZWQZ-RAXLEYEMSA-N 1 2 241.338 2.945 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC000372503809 398004614 /nfs/dbraw/zinc/00/46/14/398004614.db2.gz JRDMZXJUUXMOPV-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC000372503809 398004615 /nfs/dbraw/zinc/00/46/15/398004615.db2.gz JRDMZXJUUXMOPV-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO COCc1cc[nH+]c(NCc2ccsc2)c1 ZINC000650244482 398005030 /nfs/dbraw/zinc/00/50/30/398005030.db2.gz AVWQLTIBHDDRMS-UHFFFAOYSA-N 1 2 234.324 2.902 20 0 BFADLO COCc1cc[nH+]c(NCc2ncc(C)s2)c1 ZINC000650243640 398006195 /nfs/dbraw/zinc/00/61/95/398006195.db2.gz JKKMAUZVCQKALH-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO CCc1cc[nH+]cc1NCc1nccs1 ZINC000650243318 398006452 /nfs/dbraw/zinc/00/64/52/398006452.db2.gz ULRFXDMNVGYBAQ-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO C[C@@H](c1csnn1)[NH+]1CCC(C2CC2)CC1 ZINC000649638677 398017467 /nfs/dbraw/zinc/01/74/67/398017467.db2.gz GXBNXRIUOORQAO-VIFPVBQESA-N 1 2 237.372 2.721 20 0 BFADLO C[C@H](c1csnn1)[NH+]1CCC(C2CC2)CC1 ZINC000649638676 398017541 /nfs/dbraw/zinc/01/75/41/398017541.db2.gz GXBNXRIUOORQAO-SECBINFHSA-N 1 2 237.372 2.721 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CC(C)(C)C ZINC000121408503 398019006 /nfs/dbraw/zinc/01/90/06/398019006.db2.gz FVGUZZWZFCMPOX-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO C[N@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CC1(C)C ZINC000489425512 398024182 /nfs/dbraw/zinc/02/41/82/398024182.db2.gz LXNDXXYINIRRLT-SECBINFHSA-N 1 2 237.347 2.597 20 0 BFADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)[C@@H]1CC1(C)C ZINC000489425512 398024184 /nfs/dbraw/zinc/02/41/84/398024184.db2.gz LXNDXXYINIRRLT-SECBINFHSA-N 1 2 237.347 2.597 20 0 BFADLO FC1(F)CCC[N@H+](CCCC2CCOCC2)C1 ZINC000649695362 398042870 /nfs/dbraw/zinc/04/28/70/398042870.db2.gz SNHNCTVFCJOWOI-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO FC1(F)CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000649695362 398042874 /nfs/dbraw/zinc/04/28/74/398042874.db2.gz SNHNCTVFCJOWOI-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO C[C@H]1CN(c2cccc[nH+]2)C[C@H](C)C1(F)F ZINC000624444633 398092190 /nfs/dbraw/zinc/09/21/90/398092190.db2.gz IUVVEGOPIUEJJJ-UWVGGRQHSA-N 1 2 226.270 2.809 20 0 BFADLO Oc1cccc(C[NH2+]Cc2ccccn2)c1Cl ZINC000328431212 398082788 /nfs/dbraw/zinc/08/27/88/398082788.db2.gz AZORFUCIHYZAOE-UHFFFAOYSA-N 1 2 248.713 2.730 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000649704474 398051913 /nfs/dbraw/zinc/05/19/13/398051913.db2.gz JLKHOURKJHYCQU-QWHCGFSZSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000649704475 398052357 /nfs/dbraw/zinc/05/23/57/398052357.db2.gz JLKHOURKJHYCQU-STQMWFEESA-N 1 2 244.338 2.577 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1nccs1 ZINC000649716938 398058102 /nfs/dbraw/zinc/05/81/02/398058102.db2.gz QUXOJSRMSOFKDO-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1nccs1 ZINC000649716938 398058106 /nfs/dbraw/zinc/05/81/06/398058106.db2.gz QUXOJSRMSOFKDO-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000293140790 398112592 /nfs/dbraw/zinc/11/25/92/398112592.db2.gz UCTHDDJYKXJIEL-ZJUUUORDSA-N 1 2 224.373 2.936 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000293140790 398112593 /nfs/dbraw/zinc/11/25/93/398112593.db2.gz UCTHDDJYKXJIEL-ZJUUUORDSA-N 1 2 224.373 2.936 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000293140785 398112959 /nfs/dbraw/zinc/11/29/59/398112959.db2.gz UCTHDDJYKXJIEL-UWVGGRQHSA-N 1 2 224.373 2.936 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000293140785 398112963 /nfs/dbraw/zinc/11/29/63/398112963.db2.gz UCTHDDJYKXJIEL-UWVGGRQHSA-N 1 2 224.373 2.936 20 0 BFADLO c1nc(C[NH2+]Cc2ccc(C3CC3)cc2)co1 ZINC000397850791 398123755 /nfs/dbraw/zinc/12/37/55/398123755.db2.gz JYDLQWCGUMCRMG-UHFFFAOYSA-N 1 2 228.295 2.842 20 0 BFADLO Cc1nc(N2CC(C3CCCCC3)C2)cc[nH+]1 ZINC000294108792 398122263 /nfs/dbraw/zinc/12/22/63/398122263.db2.gz OZYFGQYYYMFSLY-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO CCSCC[N@H+](CC(F)F)C(C)C ZINC000135379047 398133722 /nfs/dbraw/zinc/13/37/22/398133722.db2.gz HRVQOGFXYNZIQA-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO CCSCC[N@@H+](CC(F)F)C(C)C ZINC000135379047 398133726 /nfs/dbraw/zinc/13/37/26/398133726.db2.gz HRVQOGFXYNZIQA-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO Cc1cc[nH+]cc1Cn1cc(C2CC2)cn1 ZINC000650345068 398134111 /nfs/dbraw/zinc/13/41/11/398134111.db2.gz NTTJHAAHKOWSIO-UHFFFAOYSA-N 1 2 213.284 2.512 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCCCO1 ZINC000135381447 398134434 /nfs/dbraw/zinc/13/44/34/398134434.db2.gz KFYDWJUBRSUNBN-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCCCO1 ZINC000135381447 398134437 /nfs/dbraw/zinc/13/44/37/398134437.db2.gz KFYDWJUBRSUNBN-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CCC1(CC)CCN(c2cc(CO)cc[nH+]2)C1 ZINC000094808735 487559249 /nfs/dbraw/zinc/55/92/49/487559249.db2.gz IFNFBNWTZMVJBY-UHFFFAOYSA-N 1 2 234.343 2.590 20 0 BFADLO CC1(C2CC2)CC[NH+](CC(F)F)CC1 ZINC000685596980 487562188 /nfs/dbraw/zinc/56/21/88/487562188.db2.gz XYAFBJRKIHWORR-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@H](C)c2ccco2)o1 ZINC000291910742 487567046 /nfs/dbraw/zinc/56/70/46/487567046.db2.gz MSQQKRMUUKRJHK-SECBINFHSA-N 1 2 234.299 2.989 20 0 BFADLO CCN(Cc1c[nH+]cn1CC)c1cccc(O)c1 ZINC000668803196 487567768 /nfs/dbraw/zinc/56/77/68/487567768.db2.gz JVKFDYDQAACSED-UHFFFAOYSA-N 1 2 245.326 2.635 20 0 BFADLO COc1ccc(N[C@@H](C)c2cc(C)on2)[nH+]c1 ZINC000685653031 487571276 /nfs/dbraw/zinc/57/12/76/487571276.db2.gz BDXYKKNIFQGSBM-VIFPVBQESA-N 1 2 233.271 2.560 20 0 BFADLO C[C@@H](Nc1c[nH+]c2c(c1)CCCC2)[C@@H]1CCCO1 ZINC000680348785 487571158 /nfs/dbraw/zinc/57/11/58/487571158.db2.gz DMWGGTGUPXQBMB-ABAIWWIYSA-N 1 2 246.354 2.940 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H](CO)C(C)C)c1Cl ZINC000309347764 322901721 /nfs/dbraw/zinc/90/17/21/322901721.db2.gz MEPVTYFHFZHGFZ-JTQLQIEISA-N 1 2 242.750 2.720 20 0 BFADLO Fc1ccccc1C1CC(Nc2c[nH]c[nH+]2)C1 ZINC000685845660 487587004 /nfs/dbraw/zinc/58/70/04/487587004.db2.gz FIYOSLUPSVMMSL-UHFFFAOYSA-N 1 2 231.274 2.907 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CS[C@@H](C)C1 ZINC000086936383 487592850 /nfs/dbraw/zinc/59/28/50/487592850.db2.gz FYLZDQWJUBDGCP-WCBMZHEXSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1ccc(/C=C\C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000255162604 322917435 /nfs/dbraw/zinc/91/74/35/322917435.db2.gz DBKPRCZASBAQEM-WAYWQWQTSA-N 1 2 242.278 2.943 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@](C)(C(F)F)O1 ZINC000668823075 487601581 /nfs/dbraw/zinc/60/15/81/487601581.db2.gz GBWUCJPVRSMFDJ-BXKDBHETSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@](C)(C(F)F)O1 ZINC000668823075 487601586 /nfs/dbraw/zinc/60/15/86/487601586.db2.gz GBWUCJPVRSMFDJ-BXKDBHETSA-N 1 2 245.269 2.524 20 0 BFADLO COc1cccc(CNc2cccc[nH+]2)c1F ZINC000192670299 487604472 /nfs/dbraw/zinc/60/44/72/487604472.db2.gz BERAOEAPNGEYPP-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662347414 409665328 /nfs/dbraw/zinc/66/53/28/409665328.db2.gz JYYOJKGUQVRKFG-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662347414 409665339 /nfs/dbraw/zinc/66/53/39/409665339.db2.gz JYYOJKGUQVRKFG-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO CC[N@H+](Cc1coc(C)n1)Cc1occc1C ZINC000660805628 409769217 /nfs/dbraw/zinc/76/92/17/409769217.db2.gz DVINRSJQDLHYBK-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@@H+](Cc1coc(C)n1)Cc1occc1C ZINC000660805628 409769224 /nfs/dbraw/zinc/76/92/24/409769224.db2.gz DVINRSJQDLHYBK-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC(C)=CCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000660812677 409781137 /nfs/dbraw/zinc/78/11/37/409781137.db2.gz PDCVLBPPKKNUMN-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC(C)=CCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000660812677 409781145 /nfs/dbraw/zinc/78/11/45/409781145.db2.gz PDCVLBPPKKNUMN-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CCSC1 ZINC000651971491 409940871 /nfs/dbraw/zinc/94/08/71/409940871.db2.gz HYHVRSRUASKOBV-MRVPVSSYSA-N 1 2 226.370 2.721 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccon1 ZINC000680529691 487612555 /nfs/dbraw/zinc/61/25/55/487612555.db2.gz ZVHOCQKMMQQCKT-QMMMGPOBSA-N 1 2 230.271 2.515 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@@H](C)C1 ZINC000651979174 410111810 /nfs/dbraw/zinc/11/18/10/410111810.db2.gz AHSLHOMCOZQVJA-JQWIXIFHSA-N 1 2 220.316 2.623 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CCCOCC1 ZINC000651979337 410112772 /nfs/dbraw/zinc/11/27/72/410112772.db2.gz JTCNRGOBKHJVIT-GFCCVEGCSA-N 1 2 220.316 2.625 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CSC[C@H]1C ZINC000651980006 410115945 /nfs/dbraw/zinc/11/59/45/410115945.db2.gz WJNQLDGHHAGSJI-BXKDBHETSA-N 1 2 222.357 2.807 20 0 BFADLO CCC[C@](C)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403462 410208834 /nfs/dbraw/zinc/20/88/34/410208834.db2.gz CXUSMSFTXHNTMH-MFKMUULPSA-N 1 2 237.347 2.803 20 0 BFADLO CCCC(C)(C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403493 410208898 /nfs/dbraw/zinc/20/88/98/410208898.db2.gz OPOVTLKTUWPJHD-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO CCCCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071540731 410416548 /nfs/dbraw/zinc/41/65/48/410416548.db2.gz SFOYDBWALVPJHX-UHFFFAOYSA-N 1 2 245.326 2.563 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc[nH]n1 ZINC000679583276 487618899 /nfs/dbraw/zinc/61/88/99/487618899.db2.gz DCPDCBMLPBUUNQ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc[nH]n1 ZINC000679583276 487618900 /nfs/dbraw/zinc/61/89/00/487618900.db2.gz DCPDCBMLPBUUNQ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO CC(C)OCC[N@H+](CC(F)F)CC1CCC1 ZINC000341756994 167227966 /nfs/dbraw/zinc/22/79/66/167227966.db2.gz PMSUINLHQRDPAI-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)OCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341756994 167227969 /nfs/dbraw/zinc/22/79/69/167227969.db2.gz PMSUINLHQRDPAI-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)O[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000337558413 167281401 /nfs/dbraw/zinc/28/14/01/167281401.db2.gz SWDCJZOCVWMJEJ-VHSXEESVSA-N 1 2 247.329 2.966 20 0 BFADLO CC(C)Oc1ccccc1C[NH2+]Cc1cocn1 ZINC000236679665 167310811 /nfs/dbraw/zinc/31/08/11/167310811.db2.gz RQLUDCMQPBBLLD-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO CC(C)[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171971629 167349165 /nfs/dbraw/zinc/34/91/65/167349165.db2.gz CTSZWWDRXNPCRD-VXGBXAGGSA-N 1 2 249.358 2.755 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000191453185 167386419 /nfs/dbraw/zinc/38/64/19/167386419.db2.gz FINGIRJCKOTDIH-LLVKDONJSA-N 1 2 230.315 2.724 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc([C@H]2C[C@@H]2C)n1 ZINC000651353273 410941512 /nfs/dbraw/zinc/94/15/12/410941512.db2.gz IXXMUUYAGWYRAJ-QWRGUYRKSA-N 1 2 243.310 2.682 20 0 BFADLO Cc1cnccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398130483 410942606 /nfs/dbraw/zinc/94/26/06/410942606.db2.gz STKVVIRWQMGWHV-LLVKDONJSA-N 1 2 226.270 2.667 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@H]1CCCC1(F)F ZINC000651345854 410927950 /nfs/dbraw/zinc/92/79/50/410927950.db2.gz BZNKQIDDVJOFQO-UWVGGRQHSA-N 1 2 243.301 2.741 20 0 BFADLO CC(C)[C@@H]([NH2+]CC[C@H]1CCOC1)C(F)(F)F ZINC000336743945 167431453 /nfs/dbraw/zinc/43/14/53/167431453.db2.gz PSDUPEWXPJHYRJ-VHSXEESVSA-N 1 2 239.281 2.590 20 0 BFADLO c1cc(NC2CC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000651473663 411055968 /nfs/dbraw/zinc/05/59/68/411055968.db2.gz YJFJMQVBEVXRDD-UHFFFAOYSA-N 1 2 229.327 2.521 20 0 BFADLO Cc1cc(NC2CC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000651473667 411056110 /nfs/dbraw/zinc/05/61/10/411056110.db2.gz YOOMQJZSUJAOPG-UHFFFAOYSA-N 1 2 243.354 2.829 20 0 BFADLO CCC[C@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000652021429 411036534 /nfs/dbraw/zinc/03/65/34/411036534.db2.gz FYUJKGMDYLPJRI-NSHDSACASA-N 1 2 249.358 2.686 20 0 BFADLO Cn1c[nH+]c(CN2CC[C@@H]2c2cccc(F)c2)c1 ZINC000659987055 411157685 /nfs/dbraw/zinc/15/76/85/411157685.db2.gz UXXUTMODYIGSKF-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO CCC[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068349 411105260 /nfs/dbraw/zinc/10/52/60/411105260.db2.gz AUZQYFWOAVTCJX-SNVBAGLBSA-N 1 2 208.305 2.829 20 0 BFADLO C[C@@H]([NH2+]CC(F)F)[C@@H]1OCCc2sccc21 ZINC000309394729 411162546 /nfs/dbraw/zinc/16/25/46/411162546.db2.gz GJFNVJFMGLWVDR-HQJQHLMTSA-N 1 2 247.310 2.605 20 0 BFADLO Cc1ccc(N[C@H]2COC3(CCC3)C2)c[nH+]1 ZINC000657949711 411177865 /nfs/dbraw/zinc/17/78/65/411177865.db2.gz UYPUTXMDSXSBIL-GFCCVEGCSA-N 1 2 218.300 2.514 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCCC(C)(C)C1 ZINC000656125282 411183335 /nfs/dbraw/zinc/18/33/35/411183335.db2.gz HPVZPXNYAGRSFI-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCCC(C)(C)CC1 ZINC000656128715 411184213 /nfs/dbraw/zinc/18/42/13/411184213.db2.gz CWPROBFGJBPETO-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@H](CC(C)C)C1 ZINC000656134168 411184763 /nfs/dbraw/zinc/18/47/63/411184763.db2.gz RJXWVRQBFAFVBX-GFCCVEGCSA-N 1 2 249.358 2.666 20 0 BFADLO CC[C@H](N[C@H]1CCCn2cc[nH+]c21)C(F)(F)F ZINC000655757052 411187256 /nfs/dbraw/zinc/18/72/56/411187256.db2.gz AEMIYFZQXAVQNK-IUCAKERBSA-N 1 2 247.264 2.649 20 0 BFADLO COc1ccc[nH+]c1N(C)Cc1occc1C ZINC000528024667 411244348 /nfs/dbraw/zinc/24/43/48/411244348.db2.gz IUMOLRSCWCVNSK-UHFFFAOYSA-N 1 2 232.283 2.628 20 0 BFADLO Fc1cc2c(cc1F)C[NH+](CC1CC1)C2 ZINC000653833845 411196382 /nfs/dbraw/zinc/19/63/82/411196382.db2.gz XFVYERFBEVMSGF-UHFFFAOYSA-N 1 2 209.239 2.690 20 0 BFADLO COc1c(C)[nH+]cnc1NCC1=CCCCC1 ZINC000656192582 411198185 /nfs/dbraw/zinc/19/81/85/411198185.db2.gz DZRJBAQEDWHJSI-UHFFFAOYSA-N 1 2 233.315 2.706 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2nccs2)c1 ZINC000652330520 411202404 /nfs/dbraw/zinc/20/24/04/411202404.db2.gz ILPLWPSDLFXJBX-SECBINFHSA-N 1 2 249.339 2.858 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2ccco2)c1 ZINC000652329731 411202429 /nfs/dbraw/zinc/20/24/29/411202429.db2.gz GEBKLRIFCWGJBT-JTQLQIEISA-N 1 2 232.283 2.994 20 0 BFADLO CCc1cc(NC2(C)CC=CC2)nc[nH+]1 ZINC000656209143 411209402 /nfs/dbraw/zinc/20/94/02/411209402.db2.gz YNIUOTIMEXIDJM-UHFFFAOYSA-N 1 2 203.289 2.560 20 0 BFADLO c1ccc(N[C@@H](C2CC2)[C@@H]2CCCCO2)[nH+]c1 ZINC000656208731 411209524 /nfs/dbraw/zinc/20/95/24/411209524.db2.gz SRYRATLURXIOQN-JSGCOSHPSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1nc(N[C@@H](C2CC2)[C@@H]2CCCCO2)cc[nH+]1 ZINC000656209907 411210824 /nfs/dbraw/zinc/21/08/24/411210824.db2.gz YYONFSWIUMYJQJ-JSGCOSHPSA-N 1 2 247.342 2.545 20 0 BFADLO CCc1cc(N[C@H](CC)[C@H]2CCCCO2)nc[nH+]1 ZINC000656227149 411212705 /nfs/dbraw/zinc/21/27/05/411212705.db2.gz JXFVVUKKOJKPFV-CHWSQXEVSA-N 1 2 249.358 2.799 20 0 BFADLO CC[C@@H](Nc1cccc[nH+]1)[C@H]1CCCCO1 ZINC000656229473 411214185 /nfs/dbraw/zinc/21/41/85/411214185.db2.gz WSAHBPBNURFAGV-VXGBXAGGSA-N 1 2 220.316 2.841 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1cccn1C)C2 ZINC000656274884 411225288 /nfs/dbraw/zinc/22/52/88/411225288.db2.gz GPIONNMWQFOWSX-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1cccn1C)C2 ZINC000656274884 411225291 /nfs/dbraw/zinc/22/52/91/411225291.db2.gz GPIONNMWQFOWSX-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO COc1cc(C)c(-c2[nH+]ccn2C)cc1C ZINC000656371812 411238104 /nfs/dbraw/zinc/23/81/04/411238104.db2.gz WPHXBILRCVWVAQ-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000655711897 411266600 /nfs/dbraw/zinc/26/66/00/411266600.db2.gz JWXMZORTEOYRPE-AWEZNQCLSA-N 1 2 241.338 2.804 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cscn1 ZINC000658151127 411266914 /nfs/dbraw/zinc/26/69/14/411266914.db2.gz DOEMQGUTKYDRKT-VHSXEESVSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1nc(C[NH2+][C@H](c2cccnc2)C2CC2)co1 ZINC000660241879 411304032 /nfs/dbraw/zinc/30/40/32/411304032.db2.gz KADILHFVINSYGT-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1ccc(Cl)o1)C2 ZINC000656694501 411333294 /nfs/dbraw/zinc/33/32/94/411333294.db2.gz SIPZKQROGZUXQN-UHFFFAOYSA-N 1 2 229.682 2.867 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccccn2)c(C)o1 ZINC000660244627 411304637 /nfs/dbraw/zinc/30/46/37/411304637.db2.gz RXFJEPNUQSACOH-SECBINFHSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccs2)co1 ZINC000659826622 411308805 /nfs/dbraw/zinc/30/88/05/411308805.db2.gz PCPRBDZMJJPRHS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccs2)co1 ZINC000659826622 411308808 /nfs/dbraw/zinc/30/88/08/411308808.db2.gz PCPRBDZMJJPRHS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO C=C/C(C)=C\CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000654011701 411314096 /nfs/dbraw/zinc/31/40/96/411314096.db2.gz FKVMODXJQJYAHK-XRHVUQDBSA-N 1 2 245.326 2.528 20 0 BFADLO CCCOc1cc(C)ccc1[NH2+]CC[C@H](C)O ZINC000656641667 411314893 /nfs/dbraw/zinc/31/48/93/411314893.db2.gz GUBIJKKPBYEDQQ-LBPRGKRZSA-N 1 2 237.343 2.967 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]CC[C@@H](C)O ZINC000656642141 411315152 /nfs/dbraw/zinc/31/51/52/411315152.db2.gz LNNCUEFCEKLCIO-LLVKDONJSA-N 1 2 223.316 2.577 20 0 BFADLO Cc1ccc(NC(=O)NC2(C)CC=CC2)c(C)[nH+]1 ZINC000654016737 411316892 /nfs/dbraw/zinc/31/68/92/411316892.db2.gz UPHVPXUEVZTXNF-UHFFFAOYSA-N 1 2 245.326 2.929 20 0 BFADLO COc1cc(C)c(C)cc1[NH2+]CCCCCO ZINC000656659427 411318437 /nfs/dbraw/zinc/31/84/37/411318437.db2.gz BFHTWSYGPOXZJC-UHFFFAOYSA-N 1 2 237.343 2.887 20 0 BFADLO COC[C@H](C)[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000656679473 411320712 /nfs/dbraw/zinc/32/07/12/411320712.db2.gz JEIPUYFEYSUUTB-VIFPVBQESA-N 1 2 247.260 2.542 20 0 BFADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000655769069 411251151 /nfs/dbraw/zinc/25/11/51/411251151.db2.gz UDHFUOADPAYNMD-MWLCHTKSSA-N 1 2 241.285 2.623 20 0 BFADLO CCC1(C)C[NH+](Cc2cn3cccc(F)c3n2)C1 ZINC000656807587 411374233 /nfs/dbraw/zinc/37/42/33/411374233.db2.gz YZFFAFMKHFHXMK-UHFFFAOYSA-N 1 2 247.317 2.705 20 0 BFADLO c1cc(CNc2c[nH+]cc3c2CCCC3)ccn1 ZINC000656775862 411356997 /nfs/dbraw/zinc/35/69/97/411356997.db2.gz DJVKTVOXHMGAHJ-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO Cc1n[nH]cc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776862 411357085 /nfs/dbraw/zinc/35/70/85/411357085.db2.gz VDNBQQWIIYTNSR-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO Cc1c[nH+]cc(NCc2c(C3CC3)cnn2C)c1 ZINC000656771815 411364848 /nfs/dbraw/zinc/36/48/48/411364848.db2.gz KFWAXSLMFCOTAS-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(C(C)(C)C)no1 ZINC000656743618 411342146 /nfs/dbraw/zinc/34/21/46/411342146.db2.gz HAZWSERYSSSYJT-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)o1 ZINC000658335939 411343635 /nfs/dbraw/zinc/34/36/35/411343635.db2.gz JTMSWIDVUSNUHW-QWRGUYRKSA-N 1 2 247.342 2.987 20 0 BFADLO CC1(C)[C@@H]2C[N@@H+](Cc3ncc(Cl)s3)C[C@@H]21 ZINC000336462781 168013657 /nfs/dbraw/zinc/01/36/57/168013657.db2.gz BFKLGPGLVHAQNN-OCAPTIKFSA-N 1 2 242.775 2.884 20 0 BFADLO CC1(C)[C@@H]2C[N@H+](Cc3ncc(Cl)s3)C[C@@H]21 ZINC000336462781 168013658 /nfs/dbraw/zinc/01/36/58/168013658.db2.gz BFKLGPGLVHAQNN-OCAPTIKFSA-N 1 2 242.775 2.884 20 0 BFADLO CC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000267762929 168048222 /nfs/dbraw/zinc/04/82/22/168048222.db2.gz ZADWEUGVCWBQAA-UHFFFAOYSA-N 1 2 217.316 2.956 20 0 BFADLO CC1(CCNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000281493657 168021788 /nfs/dbraw/zinc/02/17/88/168021788.db2.gz OFISAHJMWNRLHG-UHFFFAOYSA-N 1 2 217.316 2.956 20 0 BFADLO CC1=C(C(=O)NCc2[nH]cc[nH+]2)CCC(C)(C)C1 ZINC000336243727 168078319 /nfs/dbraw/zinc/07/83/19/168078319.db2.gz AUXBTSYTZRZDAV-UHFFFAOYSA-N 1 2 247.342 2.553 20 0 BFADLO CC1=C(C)C[N@H+](Cc2ncnn2C(C)(C)C)CC1 ZINC000282404445 168085099 /nfs/dbraw/zinc/08/50/99/168085099.db2.gz FKWFMHBERHNSCV-UHFFFAOYSA-N 1 2 248.374 2.575 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2ncnn2C(C)(C)C)CC1 ZINC000282404445 168085101 /nfs/dbraw/zinc/08/51/01/168085101.db2.gz FKWFMHBERHNSCV-UHFFFAOYSA-N 1 2 248.374 2.575 20 0 BFADLO CC1=C(C)C[N@H+](Cc2noc(C(C)C)n2)CC1 ZINC000280492326 168085426 /nfs/dbraw/zinc/08/54/26/168085426.db2.gz BIPUHHLAFIPWBZ-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2noc(C(C)C)n2)CC1 ZINC000280492326 168085429 /nfs/dbraw/zinc/08/54/29/168085429.db2.gz BIPUHHLAFIPWBZ-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000280880562 168100396 /nfs/dbraw/zinc/10/03/96/168100396.db2.gz PDODNQSTSVVCMR-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000280880562 168100399 /nfs/dbraw/zinc/10/03/99/168100399.db2.gz PDODNQSTSVVCMR-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000280917834 168100642 /nfs/dbraw/zinc/10/06/42/168100642.db2.gz SWMKWSSWNCPGFO-NSHDSACASA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000280917834 168100644 /nfs/dbraw/zinc/10/06/44/168100644.db2.gz SWMKWSSWNCPGFO-NSHDSACASA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000280787042 168102007 /nfs/dbraw/zinc/10/20/07/168102007.db2.gz QACWSHDNBKLRCY-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO Cc1cc(NC(=O)N2CC=C(C)CC2)cc[nH+]1 ZINC000271093757 168107330 /nfs/dbraw/zinc/10/73/30/168107330.db2.gz VQXJCCAGCMKFLC-UHFFFAOYSA-N 1 2 231.299 2.574 20 0 BFADLO CC1=CC[N@H+](Cc2c(F)ccc(O)c2F)CC1 ZINC000295499456 168115533 /nfs/dbraw/zinc/11/55/33/168115533.db2.gz YFZJOPPKRRFGJY-UHFFFAOYSA-N 1 2 239.265 2.822 20 0 BFADLO CC1=CC[N@@H+](Cc2c(F)ccc(O)c2F)CC1 ZINC000295499456 168115535 /nfs/dbraw/zinc/11/55/35/168115535.db2.gz YFZJOPPKRRFGJY-UHFFFAOYSA-N 1 2 239.265 2.822 20 0 BFADLO CC1=C[C@@H](C)C[C@@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000356303239 168125855 /nfs/dbraw/zinc/12/58/55/168125855.db2.gz NRRNOHXKXCUUMC-BXUZGUMPSA-N 1 2 246.354 2.978 20 0 BFADLO CC1CCC(Oc2cc(N)cc[nH+]2)CC1 ZINC000043569462 168168725 /nfs/dbraw/zinc/16/87/25/168168725.db2.gz XKCKXJJXDLGUQM-UHFFFAOYSA-N 1 2 206.289 2.621 20 0 BFADLO CCC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281102010 168268596 /nfs/dbraw/zinc/26/85/96/168268596.db2.gz FZDLPRZSNZLQAQ-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CCC(C)(C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000265428284 168284986 /nfs/dbraw/zinc/28/49/86/168284986.db2.gz UJICXZUATNRLPX-UHFFFAOYSA-N 1 2 245.326 2.595 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2cc[nH]c2)c1 ZINC000404464995 411397142 /nfs/dbraw/zinc/39/71/42/411397142.db2.gz BBOAQGKBKYISSZ-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1c[nH]c(CNc2cc(C)cc(C)c2)[nH+]1 ZINC000657320814 411461154 /nfs/dbraw/zinc/46/11/54/411461154.db2.gz GETZIKJRIFPJMC-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CCn1ccnc1CNc1cc(C)c[nH+]c1C ZINC000404631210 411402664 /nfs/dbraw/zinc/40/26/64/411402664.db2.gz GDZMXLYVTPYALL-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2cscn2)c1 ZINC000404671451 411404595 /nfs/dbraw/zinc/40/45/95/411404595.db2.gz BVJCCBONCUPFPF-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(F)cc2)co1 ZINC000659815495 411461851 /nfs/dbraw/zinc/46/18/51/411461851.db2.gz FYUPULKVVXWDAB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(F)cc2)co1 ZINC000659815495 411461853 /nfs/dbraw/zinc/46/18/53/411461853.db2.gz FYUPULKVVXWDAB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CCOc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657320087 411461927 /nfs/dbraw/zinc/46/19/27/411461927.db2.gz NJLIRENGMYRFEL-UHFFFAOYSA-N 1 2 231.299 2.729 20 0 BFADLO COC(=O)c1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000271590357 411431580 /nfs/dbraw/zinc/43/15/80/411431580.db2.gz GIBYXHIXEOZCOJ-UHFFFAOYSA-N 1 2 249.285 2.532 20 0 BFADLO COC(=O)c1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000271590357 411431583 /nfs/dbraw/zinc/43/15/83/411431583.db2.gz GIBYXHIXEOZCOJ-UHFFFAOYSA-N 1 2 249.285 2.532 20 0 BFADLO Cc1cnc(SCc2c[nH+]cn2C)c(C)c1 ZINC000657281596 411441757 /nfs/dbraw/zinc/44/17/57/411441757.db2.gz ZYEDVQPUVWOFEV-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccccc2Cl)n1 ZINC000657285941 411444488 /nfs/dbraw/zinc/44/44/88/411444488.db2.gz QXMSKGAKCUAZMD-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO CCc1cc(NCc2ccc(C)o2)nc[nH+]1 ZINC000053039166 411474917 /nfs/dbraw/zinc/47/49/17/411474917.db2.gz QYMWBPIOGIXYCJ-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](OC)C1CCC1 ZINC000659867419 411482449 /nfs/dbraw/zinc/48/24/49/411482449.db2.gz KMNVQFSEAXQHSU-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](OC)C1CCC1 ZINC000659867419 411482452 /nfs/dbraw/zinc/48/24/52/411482452.db2.gz KMNVQFSEAXQHSU-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1coc(C)n1 ZINC000659870207 411484670 /nfs/dbraw/zinc/48/46/70/411484670.db2.gz FEBDJNJUCGNDGA-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1coc(C)n1 ZINC000659870207 411484673 /nfs/dbraw/zinc/48/46/73/411484673.db2.gz FEBDJNJUCGNDGA-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659879319 411488867 /nfs/dbraw/zinc/48/88/67/411488867.db2.gz SHUVTNLGIPBEOY-GRYCIOLGSA-N 1 2 247.329 2.636 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659879319 411488870 /nfs/dbraw/zinc/48/88/70/411488870.db2.gz SHUVTNLGIPBEOY-GRYCIOLGSA-N 1 2 247.329 2.636 20 0 BFADLO CO[C@@H](C[N@H+](CC(F)F)C1CC1)C1CCC1 ZINC000659907568 411494578 /nfs/dbraw/zinc/49/45/78/411494578.db2.gz IRGBKOATCOVPOS-NSHDSACASA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@H](C[N@@H+](CC(F)F)C1CC1)C1CCC1 ZINC000659907568 411494579 /nfs/dbraw/zinc/49/45/79/411494579.db2.gz IRGBKOATCOVPOS-NSHDSACASA-N 1 2 233.302 2.531 20 0 BFADLO COc1cc(NCc2[nH]c(C)c(C)[nH+]2)ccc1F ZINC000657443363 411512595 /nfs/dbraw/zinc/51/25/95/411512595.db2.gz KLEHKFPFKJOYCZ-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO Cc1cccc2[nH]c(C[NH2+]CC(F)F)cc21 ZINC000657463828 411518621 /nfs/dbraw/zinc/51/86/21/411518621.db2.gz RDLSJTUPOXZWNX-UHFFFAOYSA-N 1 2 224.254 2.831 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)co1 ZINC000659985141 411519039 /nfs/dbraw/zinc/51/90/39/411519039.db2.gz COBOPKYNTOJYDE-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H]2c2ccccc2)co1 ZINC000659985141 411519041 /nfs/dbraw/zinc/51/90/41/411519041.db2.gz COBOPKYNTOJYDE-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C3CCC3)c[nH+]2)n1 ZINC000657475805 411524638 /nfs/dbraw/zinc/52/46/38/411524638.db2.gz GLQXANMQVUMMDI-UHFFFAOYSA-N 1 2 242.326 2.993 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nc(C)oc2C)o1 ZINC000659826929 411465417 /nfs/dbraw/zinc/46/54/17/411465417.db2.gz LQYKOQKOIZPQNM-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nc(C)oc2C)o1 ZINC000659826929 411465419 /nfs/dbraw/zinc/46/54/19/411465419.db2.gz LQYKOQKOIZPQNM-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO CC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341979989 170013674 /nfs/dbraw/zinc/01/36/74/170013674.db2.gz OWLQXAWXLIQSSO-LBPRGKRZSA-N 1 2 229.245 2.855 20 0 BFADLO CC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341979989 170013675 /nfs/dbraw/zinc/01/36/75/170013675.db2.gz OWLQXAWXLIQSSO-LBPRGKRZSA-N 1 2 229.245 2.855 20 0 BFADLO Cc1nocc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000660137556 411543994 /nfs/dbraw/zinc/54/39/94/411543994.db2.gz KNBOXLJOBRUMOW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nocc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000660137556 411543995 /nfs/dbraw/zinc/54/39/95/411543995.db2.gz KNBOXLJOBRUMOW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1[nH]c(CNc2n[nH]c(C(C)C)c2C)[nH+]c1C ZINC000657498202 411537463 /nfs/dbraw/zinc/53/74/63/411537463.db2.gz BVKAQWSDGOKAAD-UHFFFAOYSA-N 1 2 247.346 2.794 20 0 BFADLO Cc1cc(NCc2[nH+]ccn2C)ccc1Cl ZINC000655853420 411537707 /nfs/dbraw/zinc/53/77/07/411537707.db2.gz KPMXXFKRVONWKM-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000072582676 170215989 /nfs/dbraw/zinc/21/59/89/170215989.db2.gz BDYJZXYRWYJCNK-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000072582676 170215990 /nfs/dbraw/zinc/21/59/90/170215990.db2.gz BDYJZXYRWYJCNK-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000353592122 170246719 /nfs/dbraw/zinc/24/67/19/170246719.db2.gz PFPKXRBSMKOZQO-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC000353592122 170246720 /nfs/dbraw/zinc/24/67/20/170246720.db2.gz PFPKXRBSMKOZQO-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO C[C@H]([NH2+]Cc1cncc(F)c1)c1cscn1 ZINC000657600246 411558645 /nfs/dbraw/zinc/55/86/45/411558645.db2.gz LVUSDKMMPUXVBZ-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C/c1ccccc1 ZINC000353611488 170265515 /nfs/dbraw/zinc/26/55/15/170265515.db2.gz CMPOGIBQHOHASC-YKWSONSWSA-N 1 2 247.338 2.583 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C/c1ccccc1 ZINC000353611488 170265517 /nfs/dbraw/zinc/26/55/17/170265517.db2.gz CMPOGIBQHOHASC-YKWSONSWSA-N 1 2 247.338 2.583 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000354551847 170268065 /nfs/dbraw/zinc/26/80/65/170268065.db2.gz YZPYROSXLFTMQQ-STQMWFEESA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000049368613 170268138 /nfs/dbraw/zinc/26/81/38/170268138.db2.gz GXAYCCVCPWZIBX-RYUDHWBXSA-N 1 2 235.327 2.597 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000049370667 170268704 /nfs/dbraw/zinc/26/87/04/170268704.db2.gz YPDKZNQVXXXEFH-SMDDNHRTSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000082757986 170272689 /nfs/dbraw/zinc/27/26/89/170272689.db2.gz IPNKCLARZZQCJR-ZJUUUORDSA-N 1 2 241.356 2.740 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C(C)C)c1cccc(C)c1C ZINC000043315410 170276756 /nfs/dbraw/zinc/27/67/56/170276756.db2.gz OKUOLMBBNSWVOZ-CQSZACIVSA-N 1 2 249.354 2.906 20 0 BFADLO CCOC1(C(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000283909234 170317829 /nfs/dbraw/zinc/31/78/29/170317829.db2.gz KKJLNAYBIFOHPE-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO CCOC1CC(CCNc2cccc[nH+]2)C1 ZINC000277011584 170323507 /nfs/dbraw/zinc/32/35/07/170323507.db2.gz YAISGQIASNBVTH-UHFFFAOYSA-N 1 2 220.316 2.699 20 0 BFADLO CCOC1CC(N(C)c2cc[nH+]c(C(C)C)n2)C1 ZINC000340986881 170328398 /nfs/dbraw/zinc/32/83/98/170328398.db2.gz ZCHFKKGJHLWNDD-UHFFFAOYSA-N 1 2 249.358 2.604 20 0 BFADLO CCOCCCNc1[nH+]ccc(C)c1Cl ZINC000309033438 170384033 /nfs/dbraw/zinc/38/40/33/170384033.db2.gz GNAYFPMLFHIBKI-UHFFFAOYSA-N 1 2 228.723 2.882 20 0 BFADLO CCOCCCSc1[nH+]cc2ccccn21 ZINC000126086552 170385125 /nfs/dbraw/zinc/38/51/25/170385125.db2.gz YXOCKFUHHLLAFX-UHFFFAOYSA-N 1 2 236.340 2.853 20 0 BFADLO CCOCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000119721919 170391222 /nfs/dbraw/zinc/39/12/22/170391222.db2.gz MVMSPCWROCLQPX-SNVBAGLBSA-N 1 2 243.297 2.994 20 0 BFADLO CCOCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000119721919 170391223 /nfs/dbraw/zinc/39/12/23/170391223.db2.gz MVMSPCWROCLQPX-SNVBAGLBSA-N 1 2 243.297 2.994 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)co1 ZINC000660444312 411586193 /nfs/dbraw/zinc/58/61/93/411586193.db2.gz BUZRUPYLDJFBFV-GMSGAONNSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)co1 ZINC000660444312 411586194 /nfs/dbraw/zinc/58/61/94/411586194.db2.gz BUZRUPYLDJFBFV-GMSGAONNSA-N 1 2 248.248 2.756 20 0 BFADLO CCn1nccc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793623 411598824 /nfs/dbraw/zinc/59/88/24/411598824.db2.gz NDSWFALFBLPYSQ-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1F ZINC000657794417 411599421 /nfs/dbraw/zinc/59/94/21/411599421.db2.gz VSHCAWSOHIARLX-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO COc1cccc(C[N@@H+]2CC[C@H](F)C2)c1Cl ZINC000660690442 411617810 /nfs/dbraw/zinc/61/78/10/411617810.db2.gz BWJPJMOSZRBYKL-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO COc1cccc(C[N@H+]2CC[C@H](F)C2)c1Cl ZINC000660690442 411617811 /nfs/dbraw/zinc/61/78/11/411617811.db2.gz BWJPJMOSZRBYKL-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO F[C@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000660691987 411617918 /nfs/dbraw/zinc/61/79/18/411617918.db2.gz LINNZWIMHTVRES-VIFPVBQESA-N 1 2 236.315 2.840 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000660691987 411617919 /nfs/dbraw/zinc/61/79/19/411617919.db2.gz LINNZWIMHTVRES-VIFPVBQESA-N 1 2 236.315 2.840 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(C2CC2)cc1 ZINC000661093498 411706109 /nfs/dbraw/zinc/70/61/09/411706109.db2.gz PMSHLQSEHSKKML-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(C2CC2)cc1 ZINC000661093498 411706111 /nfs/dbraw/zinc/70/61/11/411706111.db2.gz PMSHLQSEHSKKML-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO CCCc1nc(C[N@H+](CC)[C@H](C)CC)no1 ZINC000661108651 411712251 /nfs/dbraw/zinc/71/22/51/411712251.db2.gz MRASFUGBHKLXGK-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](CC)[C@H](C)CC)no1 ZINC000661108651 411712254 /nfs/dbraw/zinc/71/22/54/411712254.db2.gz MRASFUGBHKLXGK-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCOc1ccc([NH2+]C2CCOCC2)cc1 ZINC000020176887 170552291 /nfs/dbraw/zinc/55/22/91/170552291.db2.gz HWWULCVPBYUZLV-UHFFFAOYSA-N 1 2 221.300 2.676 20 0 BFADLO C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663520084 411696719 /nfs/dbraw/zinc/69/67/19/411696719.db2.gz HHHRFVGHGPINBB-SNVBAGLBSA-N 1 2 227.311 2.663 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000661085849 411697450 /nfs/dbraw/zinc/69/74/50/411697450.db2.gz REORZILVXFXFLN-CQSZACIVSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000661085849 411697453 /nfs/dbraw/zinc/69/74/53/411697453.db2.gz REORZILVXFXFLN-CQSZACIVSA-N 1 2 245.301 2.668 20 0 BFADLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000272175981 170597119 /nfs/dbraw/zinc/59/71/19/170597119.db2.gz QIAJZBMMHCQQOR-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO O[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(F)F ZINC000661412480 411770613 /nfs/dbraw/zinc/77/06/13/411770613.db2.gz GJDGNHHNGLVEHH-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO O[C@H]1CC[N@@H+](CCC2=CCCCC2)CC1(F)F ZINC000661412480 411770616 /nfs/dbraw/zinc/77/06/16/411770616.db2.gz GJDGNHHNGLVEHH-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO Cc1cc(N2CC[C@H]2C(F)F)nc(C2CC2)[nH+]1 ZINC000663945084 411784533 /nfs/dbraw/zinc/78/45/33/411784533.db2.gz IKDWKSNUFOOSON-VIFPVBQESA-N 1 2 239.269 2.506 20 0 BFADLO Cc1nnc(C[N@H+](C)C/C=C\c2ccccc2)o1 ZINC000661531588 411798481 /nfs/dbraw/zinc/79/84/81/411798481.db2.gz KOEMPNNSZZZQAH-TWGQIWQCSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1nnc(C[N@@H+](C)C/C=C\c2ccccc2)o1 ZINC000661531588 411798483 /nfs/dbraw/zinc/79/84/83/411798483.db2.gz KOEMPNNSZZZQAH-TWGQIWQCSA-N 1 2 243.310 2.523 20 0 BFADLO CC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661541193 411799230 /nfs/dbraw/zinc/79/92/30/411799230.db2.gz YCWGUPHJWODVLT-MRVPVSSYSA-N 1 2 245.248 2.652 20 0 BFADLO CC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661541193 411799232 /nfs/dbraw/zinc/79/92/32/411799232.db2.gz YCWGUPHJWODVLT-MRVPVSSYSA-N 1 2 245.248 2.652 20 0 BFADLO Cc1cc(F)ccc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545471 411800230 /nfs/dbraw/zinc/80/02/30/411800230.db2.gz ZCSJSWRMAGZQRB-VXGBXAGGSA-N 1 2 249.329 2.791 20 0 BFADLO c1cc(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000664014936 411814468 /nfs/dbraw/zinc/81/44/68/411814468.db2.gz GFQBGNUWFWCAQG-UTUOFQBUSA-N 1 2 203.285 2.897 20 0 BFADLO Cc1[nH+]c2cc(OCC(F)F)ccc2n1C ZINC000664046627 411827080 /nfs/dbraw/zinc/82/70/80/411827080.db2.gz JBUUWSCLTMDIFV-UHFFFAOYSA-N 1 2 226.226 2.526 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCCC[C@@H]21 ZINC000664083686 411846744 /nfs/dbraw/zinc/84/67/44/411846744.db2.gz UVXKHZOEBKNLKA-AAEUAGOBSA-N 1 2 241.338 2.952 20 0 BFADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)C1(CO)CC1 ZINC000664273953 411908489 /nfs/dbraw/zinc/90/84/89/411908489.db2.gz XYZLLQSFCCVSIF-LLVKDONJSA-N 1 2 242.322 2.808 20 0 BFADLO CCc1cc(NCCC(C)(C)F)nc[nH+]1 ZINC000664371493 411932955 /nfs/dbraw/zinc/93/29/55/411932955.db2.gz TYWLAEZSUMTBQU-UHFFFAOYSA-N 1 2 211.284 2.589 20 0 BFADLO Cc1cc(NCCc2ccoc2)nc(C2CC2)[nH+]1 ZINC000664380993 411935396 /nfs/dbraw/zinc/93/53/96/411935396.db2.gz MIZBBTRFVMSNEO-UHFFFAOYSA-N 1 2 243.310 2.910 20 0 BFADLO C[C@]1(CCNc2cccc[nH+]2)CC1(F)F ZINC000664394452 411941297 /nfs/dbraw/zinc/94/12/97/411941297.db2.gz AOFRWAMIWSIBIW-JTQLQIEISA-N 1 2 212.243 2.929 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@]23C[C@@H]2CCC3)[nH+]1 ZINC000664162654 411876640 /nfs/dbraw/zinc/87/66/40/411876640.db2.gz XVJJUHJBSXOLIB-ZANVPECISA-N 1 2 228.299 2.621 20 0 BFADLO c1ccc(N2CCC([C@H]3CCCCO3)CC2)[nH+]c1 ZINC000664483821 411970430 /nfs/dbraw/zinc/97/04/30/411970430.db2.gz OQROKLTZPUAIDL-CQSZACIVSA-N 1 2 246.354 2.867 20 0 BFADLO CC1(C)C[C@]1(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000664549102 411982831 /nfs/dbraw/zinc/98/28/31/411982831.db2.gz FTBPPGYRUNFONQ-ZDUSSCGKSA-N 1 2 217.316 2.955 20 0 BFADLO CO[C@@]1(C)C[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000664606816 411998741 /nfs/dbraw/zinc/99/87/41/411998741.db2.gz VPBIQYKDQRUCEO-OCCSQVGLSA-N 1 2 246.285 2.963 20 0 BFADLO Cc1cc(NCC(F)(F)C(C)(C)C)nc[nH+]1 ZINC000664610216 411999059 /nfs/dbraw/zinc/99/90/59/411999059.db2.gz ZMZRLLZAEIEURX-UHFFFAOYSA-N 1 2 229.274 2.878 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)CCCOC)C(F)(F)F ZINC000336748117 170911208 /nfs/dbraw/zinc/91/12/08/170911208.db2.gz CJLCNVAGEGOJMM-RKDXNWHRSA-N 1 2 227.270 2.732 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc([C@@H](C)C2CC2)no1 ZINC000664815006 412024805 /nfs/dbraw/zinc/02/48/05/412024805.db2.gz VZIDWANTULMTCP-JTQLQIEISA-N 1 2 243.310 2.877 20 0 BFADLO CC/C=C/CC[N@H+](C)Cc1nnc(C)s1 ZINC000662257307 412051254 /nfs/dbraw/zinc/05/12/54/412051254.db2.gz OGZZRHKAAXTGRA-AATRIKPKSA-N 1 2 225.361 2.635 20 0 BFADLO CC/C=C/CC[N@@H+](C)Cc1nnc(C)s1 ZINC000662257307 412051256 /nfs/dbraw/zinc/05/12/56/412051256.db2.gz OGZZRHKAAXTGRA-AATRIKPKSA-N 1 2 225.361 2.635 20 0 BFADLO CC[C@@H]1CC[C@H](C(=O)Nc2ccc(C)[nH+]c2C)O1 ZINC000268069172 171049239 /nfs/dbraw/zinc/04/92/39/171049239.db2.gz DHMFBJRFBXPWRI-DGCLKSJQSA-N 1 2 248.326 2.595 20 0 BFADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@@H](C)O1 ZINC000357007270 171094349 /nfs/dbraw/zinc/09/43/49/171094349.db2.gz OJTIVGADESZUBW-GRYCIOLGSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@@H](C)O1 ZINC000357007270 171094350 /nfs/dbraw/zinc/09/43/50/171094350.db2.gz OJTIVGADESZUBW-GRYCIOLGSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)CCCO1 ZINC000341415472 171098366 /nfs/dbraw/zinc/09/83/66/171098366.db2.gz YNKNOZYTZHTSCK-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000115577551 171106115 /nfs/dbraw/zinc/10/61/15/171106115.db2.gz UJDFCNZFMNLPHS-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000115577551 171106118 /nfs/dbraw/zinc/10/61/18/171106118.db2.gz UJDFCNZFMNLPHS-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000361153503 171203848 /nfs/dbraw/zinc/20/38/48/171203848.db2.gz JPOANFXICDGIFB-LBPRGKRZSA-N 1 2 243.734 2.934 20 0 BFADLO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(Cl)o1 ZINC000361153503 171203850 /nfs/dbraw/zinc/20/38/50/171203850.db2.gz JPOANFXICDGIFB-LBPRGKRZSA-N 1 2 243.734 2.934 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276557716 171258402 /nfs/dbraw/zinc/25/84/02/171258402.db2.gz BROZVYCDSHCZQN-NWDGAFQWSA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@H](C)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000354561070 171265116 /nfs/dbraw/zinc/26/51/16/171265116.db2.gz MZKOYJPTLAJKBX-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@H](C)C[NH2+][C@@H](C(=O)OC)c1cccs1 ZINC000336673134 171286105 /nfs/dbraw/zinc/28/61/05/171286105.db2.gz AYFXISYWGXYUGL-GXSJLCMTSA-N 1 2 241.356 2.598 20 0 BFADLO CC[C@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263902933 171331162 /nfs/dbraw/zinc/33/11/62/171331162.db2.gz DLEOAFYAKYUZCJ-VIFPVBQESA-N 1 2 246.314 2.563 20 0 BFADLO CC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982196 171349855 /nfs/dbraw/zinc/34/98/55/171349855.db2.gz PXIBOQUYYIWHDV-NSHDSACASA-N 1 2 219.332 2.892 20 0 BFADLO CC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302072858 171350571 /nfs/dbraw/zinc/35/05/71/171350571.db2.gz ZQMQHFOBMYLHPQ-VIFPVBQESA-N 1 2 219.332 2.874 20 0 BFADLO CC[C@H](C)[C@@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334023 171382667 /nfs/dbraw/zinc/38/26/67/171382667.db2.gz CGBGEWYITWQNHJ-HZMBPMFUSA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000183602207 171385293 /nfs/dbraw/zinc/38/52/93/171385293.db2.gz VRANFJKGFKJXQS-UWVGGRQHSA-N 1 2 236.315 2.711 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000234005303 171392228 /nfs/dbraw/zinc/39/22/28/171392228.db2.gz DJYCWYMVZYXRIM-BQBZGAKWSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000234005303 171392229 /nfs/dbraw/zinc/39/22/29/171392229.db2.gz DJYCWYMVZYXRIM-BQBZGAKWSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@H](C)[C@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000035044615 171399777 /nfs/dbraw/zinc/39/97/77/171399777.db2.gz ODZNFPUFCDFUKE-FZMZJTMJSA-N 1 2 249.354 2.672 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC3CC2(C)C3)s1 ZINC000662386129 412140487 /nfs/dbraw/zinc/14/04/87/412140487.db2.gz UQAYWWJWXLYNGK-UHFFFAOYSA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC3CC2(C)C3)s1 ZINC000662386129 412140490 /nfs/dbraw/zinc/14/04/90/412140490.db2.gz UQAYWWJWXLYNGK-UHFFFAOYSA-N 1 2 237.372 2.646 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665286054 412232058 /nfs/dbraw/zinc/23/20/58/412232058.db2.gz DDVDHUJSISQYDR-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665286054 412232063 /nfs/dbraw/zinc/23/20/63/412232063.db2.gz DDVDHUJSISQYDR-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO Cc1nc(Cn2cc[nH+]c2)sc1C(C)C ZINC000663221093 412394695 /nfs/dbraw/zinc/39/46/95/412394695.db2.gz YMNIKADMTMEBHK-UHFFFAOYSA-N 1 2 221.329 2.820 20 0 BFADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000356882831 171900043 /nfs/dbraw/zinc/90/00/43/171900043.db2.gz VNCGGSYNEYLNAK-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1cnc(C[NH2+]C(C)(C)CF)s1 ZINC000308609938 171914358 /nfs/dbraw/zinc/91/43/58/171914358.db2.gz QKAMLNWCVOOXJB-UHFFFAOYSA-N 1 2 216.325 2.543 20 0 BFADLO CCc1[nH+]ccn1Cc1ccc2[nH]c(C)nc2c1 ZINC000358850749 172027126 /nfs/dbraw/zinc/02/71/26/172027126.db2.gz BQTCNFCSNXYRRX-UHFFFAOYSA-N 1 2 240.310 2.679 20 0 BFADLO CCc1noc([C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000078882396 172090870 /nfs/dbraw/zinc/09/08/70/172090870.db2.gz LBPLYBWIESSHDH-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc([C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078882396 172090873 /nfs/dbraw/zinc/09/08/73/172090873.db2.gz LBPLYBWIESSHDH-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000336268868 172091307 /nfs/dbraw/zinc/09/13/07/172091307.db2.gz SPMWWNNHCOXUOW-CABZTGNLSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@H](C)[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000336268868 172091309 /nfs/dbraw/zinc/09/13/09/172091309.db2.gz SPMWWNNHCOXUOW-CABZTGNLSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cccc(O)c1 ZINC000294935971 172094416 /nfs/dbraw/zinc/09/44/16/172094416.db2.gz PBXNZFRZEHBVPV-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000294935971 172094418 /nfs/dbraw/zinc/09/44/18/172094418.db2.gz PBXNZFRZEHBVPV-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(C)on2)cn1 ZINC000281929099 172198185 /nfs/dbraw/zinc/19/81/85/172198185.db2.gz AXPIDUZICPAWGV-QWRGUYRKSA-N 1 2 248.330 2.611 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1ccccc1C ZINC000336688784 172217674 /nfs/dbraw/zinc/21/76/74/172217674.db2.gz BFCCOLFAMIOGLA-UHFFFAOYSA-N 1 2 243.354 2.843 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1ccccc1C ZINC000336688784 172217676 /nfs/dbraw/zinc/21/76/76/172217676.db2.gz BFCCOLFAMIOGLA-UHFFFAOYSA-N 1 2 243.354 2.843 20 0 BFADLO CCn1ccnc1C[NH2+][C@H](C)c1ccccc1F ZINC000051923594 172224149 /nfs/dbraw/zinc/22/41/49/172224149.db2.gz APEBOPDYJFYMBP-LLVKDONJSA-N 1 2 247.317 2.893 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@H](C)C(F)(F)F ZINC000295174281 172228262 /nfs/dbraw/zinc/22/82/62/172228262.db2.gz GPBJSGPEAZCFIL-HTQZYQBOSA-N 1 2 235.253 2.504 20 0 BFADLO CCn1nccc1CNc1ccc([NH+](C)C)cc1 ZINC000119656764 172274205 /nfs/dbraw/zinc/27/42/05/172274205.db2.gz XUKIXRCFAVCSIX-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO COC(=O)C1CCC(Nc2c[nH+]cc(C)c2)CC1 ZINC000192446891 173519299 /nfs/dbraw/zinc/51/92/99/173519299.db2.gz CTRGBQIYBZDURD-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO COC1(CNc2ccc(N(C)C)c[nH+]2)CCCC1 ZINC000359705041 174005922 /nfs/dbraw/zinc/00/59/22/174005922.db2.gz GYFZZWFNEXNVBL-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO COCC(C)(C)CNc1ccc(SC)c[nH+]1 ZINC000309981249 174075977 /nfs/dbraw/zinc/07/59/77/174075977.db2.gz WGCKZKHNKVVGPK-UHFFFAOYSA-N 1 2 240.372 2.888 20 0 BFADLO COCC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000274814916 174115053 /nfs/dbraw/zinc/11/50/53/174115053.db2.gz AGLXXBBAPFHLLE-POHAHGRESA-N 1 2 236.142 2.584 20 0 BFADLO COCC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC000274814916 174115055 /nfs/dbraw/zinc/11/50/55/174115055.db2.gz AGLXXBBAPFHLLE-POHAHGRESA-N 1 2 236.142 2.584 20 0 BFADLO COCCCCC[N@H+](CC(F)F)C1CC1 ZINC000106936141 174178295 /nfs/dbraw/zinc/17/82/95/174178295.db2.gz UNZRPGOSUYJDRY-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO COCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000106936141 174178296 /nfs/dbraw/zinc/17/82/96/174178296.db2.gz UNZRPGOSUYJDRY-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO COCCCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000089658596 174205464 /nfs/dbraw/zinc/20/54/64/174205464.db2.gz VDPZPCXFWPWQDF-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO COCCC[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000182910159 174264539 /nfs/dbraw/zinc/26/45/39/174264539.db2.gz SYFCFALHDUJSME-NSHDSACASA-N 1 2 208.305 2.617 20 0 BFADLO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(F)(F)F ZINC000309986087 174397317 /nfs/dbraw/zinc/39/73/17/174397317.db2.gz YGPYCABTXISJJX-KXUCPTDWSA-N 1 2 239.281 2.732 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@H]1CCCOC1 ZINC000111320169 174968428 /nfs/dbraw/zinc/96/84/28/174968428.db2.gz ZWZINVWLWIAHAF-GFCCVEGCSA-N 1 2 235.327 2.842 20 0 BFADLO COc1cc(SC)ccc1NCc1[nH]cc[nH+]1 ZINC000194496429 175012982 /nfs/dbraw/zinc/01/29/82/175012982.db2.gz TZIMQUZTJZADPC-UHFFFAOYSA-N 1 2 249.339 2.752 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000148632818 175079473 /nfs/dbraw/zinc/07/94/73/175079473.db2.gz ZPBSEMKLQOFXHK-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc(Cl)c(NCc2[nH]cc[nH+]2)c1 ZINC000043317209 175118607 /nfs/dbraw/zinc/11/86/07/175118607.db2.gz PIIJIHAYTMDJEY-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000293967982 175124768 /nfs/dbraw/zinc/12/47/68/175124768.db2.gz JYRUWAFJDOAJBD-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CCC[C@H]2CF)c1 ZINC000293967982 175124769 /nfs/dbraw/zinc/12/47/69/175124769.db2.gz JYRUWAFJDOAJBD-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000162818343 175154886 /nfs/dbraw/zinc/15/48/86/175154886.db2.gz TYYMCCZPNYWWPR-GHMZBOCLSA-N 1 2 221.300 2.532 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000162818582 175154953 /nfs/dbraw/zinc/15/49/53/175154953.db2.gz TYYMCCZPNYWWPR-MNOVXSKESA-N 1 2 221.300 2.532 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148717228 175189074 /nfs/dbraw/zinc/18/90/74/175189074.db2.gz DAJUBEPTCZMEJB-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2C)cc1 ZINC000038011165 175189413 /nfs/dbraw/zinc/18/94/13/175189413.db2.gz CUBAZVZKUUIRRV-JTQLQIEISA-N 1 2 245.326 2.578 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)c2cc(C)on2)c1 ZINC000282790766 175267017 /nfs/dbraw/zinc/26/70/17/175267017.db2.gz WMRRGHHRQFAJQH-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2cocn2)c1 ZINC000267242616 175293245 /nfs/dbraw/zinc/29/32/45/175293245.db2.gz MWHLRIFGPMUIDJ-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000044296155 175344462 /nfs/dbraw/zinc/34/44/62/175344462.db2.gz OAKRIKLEPYROPQ-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000148753161 175344716 /nfs/dbraw/zinc/34/47/16/175344716.db2.gz QBQNJOPXHIVVPA-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccncc1C[NH2+][C@@H](C)c1ccco1 ZINC000287931467 175371780 /nfs/dbraw/zinc/37/17/80/175371780.db2.gz WVIGMYQWUKROJF-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1cc[nH+]cc1COc1cccc(C)c1 ZINC000310405522 175372987 /nfs/dbraw/zinc/37/29/87/175372987.db2.gz VOGGJEKKNCDMIW-UHFFFAOYSA-N 1 2 229.279 2.978 20 0 BFADLO COc1cc[nH+]cc1CSC[C@@H]1CCCO1 ZINC000286654754 175373541 /nfs/dbraw/zinc/37/35/41/175373541.db2.gz WZXBMYBKQRFGFT-NSHDSACASA-N 1 2 239.340 2.502 20 0 BFADLO COc1cc[nH+]cc1CSc1nc(C)c(C)[nH]1 ZINC000338579437 175373996 /nfs/dbraw/zinc/37/39/96/175373996.db2.gz GQRJBZWBHBIFFD-UHFFFAOYSA-N 1 2 249.339 2.722 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H](C)C(C)C ZINC000067822556 175374476 /nfs/dbraw/zinc/37/44/76/175374476.db2.gz NKOXPQSCNMMTLW-SNVBAGLBSA-N 1 2 236.315 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CCC(C)(C)C ZINC000078092999 175375080 /nfs/dbraw/zinc/37/50/80/175375080.db2.gz JWCZFSCZQRVYHU-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H]1C=CCCC1 ZINC000187312179 175375091 /nfs/dbraw/zinc/37/50/91/175375091.db2.gz VPDXQJZEKJOJDP-NSHDSACASA-N 1 2 246.310 2.775 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC1(C)CCCC1 ZINC000288358286 175375571 /nfs/dbraw/zinc/37/55/71/175375571.db2.gz JKQBXXKJKCIRTN-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C=C1CCCCC1 ZINC000299465938 175375715 /nfs/dbraw/zinc/37/57/15/175375715.db2.gz FFOIRZNLZILNRR-UHFFFAOYSA-N 1 2 246.310 2.919 20 0 BFADLO COc1cncc(C[NH+]2Cc3ccccc3C2)c1 ZINC000336390488 175385593 /nfs/dbraw/zinc/38/55/93/175385593.db2.gz HJNMAROEFYULDB-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO CS[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000227357819 175548408 /nfs/dbraw/zinc/54/84/08/175548408.db2.gz GBIPPGVOYHBHLQ-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccn1 ZINC000272828616 175907710 /nfs/dbraw/zinc/90/77/10/175907710.db2.gz KKHDLLNFUOKFKV-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccon1 ZINC000150871087 176019983 /nfs/dbraw/zinc/01/99/83/176019983.db2.gz YFIDYZSKGLCYNL-NSHDSACASA-N 1 2 216.284 2.868 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccon1 ZINC000150871087 176019985 /nfs/dbraw/zinc/01/99/85/176019985.db2.gz YFIDYZSKGLCYNL-NSHDSACASA-N 1 2 216.284 2.868 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342100064 176025259 /nfs/dbraw/zinc/02/52/59/176025259.db2.gz QJHZIUHZCZCKPZ-SDDRHHMPSA-N 1 2 235.302 2.750 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342100064 176025262 /nfs/dbraw/zinc/02/52/62/176025262.db2.gz QJHZIUHZCZCKPZ-SDDRHHMPSA-N 1 2 235.302 2.750 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1ccon1 ZINC000157591999 176032895 /nfs/dbraw/zinc/03/28/95/176032895.db2.gz ZFLMUIIGMZTCLZ-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccon1 ZINC000157591999 176032896 /nfs/dbraw/zinc/03/28/96/176032896.db2.gz ZFLMUIIGMZTCLZ-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cnns1)C1CC1 ZINC000336683795 176033432 /nfs/dbraw/zinc/03/34/32/176033432.db2.gz FJYALRSXFCESTB-VIFPVBQESA-N 1 2 249.339 2.857 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cnns1)C1CC1 ZINC000336683795 176033434 /nfs/dbraw/zinc/03/34/34/176033434.db2.gz FJYALRSXFCESTB-VIFPVBQESA-N 1 2 249.339 2.857 20 0 BFADLO C[C@@H]1CCCC[C@@H]1Oc1cc(N)cc[nH+]1 ZINC000043569472 176082650 /nfs/dbraw/zinc/08/26/50/176082650.db2.gz CVKLXUBMDKFCEN-KOLCDFICSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000295118971 176110223 /nfs/dbraw/zinc/11/02/23/176110223.db2.gz WLPOLJNUAVGVCC-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000295118971 176110225 /nfs/dbraw/zinc/11/02/25/176110225.db2.gz WLPOLJNUAVGVCC-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[C@@H](N(C)c2cc(CO)cc[nH+]2)C1 ZINC000042494332 176120666 /nfs/dbraw/zinc/12/06/66/176120666.db2.gz MZVXCCRZRQRDGB-DGCLKSJQSA-N 1 2 234.343 2.589 20 0 BFADLO C[C@@H]1CC[N@H+](CC2CCC(=O)CC2)CC1(F)F ZINC000336263942 176168988 /nfs/dbraw/zinc/16/89/88/176168988.db2.gz KSCJOVFVYJNJDC-SNVBAGLBSA-N 1 2 245.313 2.723 20 0 BFADLO C[C@@H]1CC[N@@H+](CC2CCC(=O)CC2)CC1(F)F ZINC000336263942 176168989 /nfs/dbraw/zinc/16/89/89/176168989.db2.gz KSCJOVFVYJNJDC-SNVBAGLBSA-N 1 2 245.313 2.723 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000302733969 176181673 /nfs/dbraw/zinc/18/16/73/176181673.db2.gz NXRLGSSQALFNDH-SNVBAGLBSA-N 1 2 249.383 2.686 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1c1nc(N)c2ccccc2[nH+]1 ZINC000301904176 176200519 /nfs/dbraw/zinc/20/05/19/176200519.db2.gz PJSHUEXVCPXHFI-NXEZZACHSA-N 1 2 242.326 2.589 20 0 BFADLO C[C@@H]1CC[C@@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000133685896 176201326 /nfs/dbraw/zinc/20/13/26/176201326.db2.gz RSAHLLCQJYBVLS-NXEZZACHSA-N 1 2 234.299 2.552 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157684 176203207 /nfs/dbraw/zinc/20/32/07/176203207.db2.gz SQKMVSBJXWBVOH-PWSUYJOCSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157684 176203209 /nfs/dbraw/zinc/20/32/09/176203209.db2.gz SQKMVSBJXWBVOH-PWSUYJOCSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000360103243 176203404 /nfs/dbraw/zinc/20/34/04/176203404.db2.gz VAPYQGTUSUGKPY-GHMZBOCLSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000360100629 176203964 /nfs/dbraw/zinc/20/39/64/176203964.db2.gz FMIYUSVJKFKHGU-VXGBXAGGSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000309395491 176217838 /nfs/dbraw/zinc/21/78/38/176217838.db2.gz GMGBNSXWQDWXRY-KOLCDFICSA-N 1 2 213.284 2.840 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CCS1 ZINC000122515804 176303372 /nfs/dbraw/zinc/30/33/72/176303372.db2.gz MECWGIHDTQUFRN-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CCS1 ZINC000122515804 176303374 /nfs/dbraw/zinc/30/33/74/176303374.db2.gz MECWGIHDTQUFRN-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000179864919 176305101 /nfs/dbraw/zinc/30/51/01/176305101.db2.gz MNVMUFSYDQLLSX-WZRBSPASSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000179864919 176305103 /nfs/dbraw/zinc/30/51/03/176305103.db2.gz MNVMUFSYDQLLSX-WZRBSPASSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000081574903 176309601 /nfs/dbraw/zinc/30/96/01/176309601.db2.gz HTWJMZMUZGCAEZ-RISCZKNCSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000081574903 176309603 /nfs/dbraw/zinc/30/96/03/176309603.db2.gz HTWJMZMUZGCAEZ-RISCZKNCSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@@H]1c1ccccc1 ZINC000177824463 176311743 /nfs/dbraw/zinc/31/17/43/176311743.db2.gz MYDILECQDAXNGG-DOMZBBRYSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@@H]1c1ccccc1 ZINC000177824463 176311744 /nfs/dbraw/zinc/31/17/44/176311744.db2.gz MYDILECQDAXNGG-DOMZBBRYSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1sccc1Cl ZINC000278496722 176337572 /nfs/dbraw/zinc/33/75/72/176337572.db2.gz UVYLSCGEGBYHCR-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1sccc1Cl ZINC000278496722 176337574 /nfs/dbraw/zinc/33/75/74/176337574.db2.gz UVYLSCGEGBYHCR-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000353512300 176351540 /nfs/dbraw/zinc/35/15/40/176351540.db2.gz UTGSFBKWRLCJNX-MRVPVSSYSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)o1 ZINC000353512300 176351541 /nfs/dbraw/zinc/35/15/41/176351541.db2.gz UTGSFBKWRLCJNX-MRVPVSSYSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@@H]1C[C@@H]1CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000353776041 176388093 /nfs/dbraw/zinc/38/80/93/176388093.db2.gz UYPSPSZPWYFTKT-UTUOFQBUSA-N 1 2 247.342 2.509 20 0 BFADLO C[C@@H](C[N@@H+]1CCCc2[nH]ncc2C1)C(C)(C)C ZINC000668843183 487636515 /nfs/dbraw/zinc/63/65/15/487636515.db2.gz WUOFEQICARZOMN-NSHDSACASA-N 1 2 235.375 2.840 20 0 BFADLO C[C@@H](C[N@H+]1CCCc2[nH]ncc2C1)C(C)(C)C ZINC000668843183 487636516 /nfs/dbraw/zinc/63/65/16/487636516.db2.gz WUOFEQICARZOMN-NSHDSACASA-N 1 2 235.375 2.840 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cocn1)C1CC1 ZINC000191936894 177048597 /nfs/dbraw/zinc/04/85/97/177048597.db2.gz CIMZLSUHSMRNCF-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cocn1)C1CC1 ZINC000191936894 177048600 /nfs/dbraw/zinc/04/86/00/177048600.db2.gz CIMZLSUHSMRNCF-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H](c1cnccn1)[N@@H+]1CCc2sccc2C1 ZINC000184415974 177052366 /nfs/dbraw/zinc/05/23/66/177052366.db2.gz MFWWVSQURRBLDX-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](c1cnccn1)[N@H+]1CCc2sccc2C1 ZINC000184415974 177052367 /nfs/dbraw/zinc/05/23/67/177052367.db2.gz MFWWVSQURRBLDX-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1CCCCN1c1[nH+]c2ccccc2n1C ZINC000179278813 177079078 /nfs/dbraw/zinc/07/90/78/177079078.db2.gz BEFQIJYTSZNNLV-NSHDSACASA-N 1 2 229.327 2.952 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000295118974 177110772 /nfs/dbraw/zinc/11/07/72/177110772.db2.gz WLPOLJNUAVGVCC-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000295118974 177110774 /nfs/dbraw/zinc/11/07/74/177110774.db2.gz WLPOLJNUAVGVCC-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1CCC[C@@H](COCc2[nH]cc[nH+]2)C1 ZINC000185544751 177120112 /nfs/dbraw/zinc/12/01/12/177120112.db2.gz TWXZZGNDYZJRIH-WDEREUQCSA-N 1 2 208.305 2.753 20 0 BFADLO C[C@H]1CCC[C@H](N(C)c2cc(CO)cc[nH+]2)C1 ZINC000042494330 177135051 /nfs/dbraw/zinc/13/50/51/177135051.db2.gz MZVXCCRZRQRDGB-AAEUAGOBSA-N 1 2 234.343 2.589 20 0 BFADLO C[C@H]1CCC[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000235668909 177138130 /nfs/dbraw/zinc/13/81/30/177138130.db2.gz SLMYIRKQRIQRTL-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCC[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000235668909 177138132 /nfs/dbraw/zinc/13/81/32/177138132.db2.gz SLMYIRKQRIQRTL-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289982518 177167129 /nfs/dbraw/zinc/16/71/29/177167129.db2.gz JUMJBFWWUMVJDA-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289982518 177167130 /nfs/dbraw/zinc/16/71/30/177167130.db2.gz JUMJBFWWUMVJDA-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@H](C)C1 ZINC000301778619 177172306 /nfs/dbraw/zinc/17/23/06/177172306.db2.gz QCOWYNGIJWAZPN-NWDGAFQWSA-N 1 2 204.317 2.954 20 0 BFADLO C[C@@H]1CC[C@H](C)N1c1nc(N)c2ccccc2[nH+]1 ZINC000301904175 177187397 /nfs/dbraw/zinc/18/73/97/177187397.db2.gz PJSHUEXVCPXHFI-AOOOYVTPSA-N 1 2 242.326 2.589 20 0 BFADLO C[C@H]1CC[C@@H](C[N@H+](CC(F)F)CC2CCC2)O1 ZINC000354700184 177189920 /nfs/dbraw/zinc/18/99/20/177189920.db2.gz DQNJFGKYFQLBRK-JQWIXIFHSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[C@@H](C[N@@H+](CC(F)F)CC2CCC2)O1 ZINC000354700184 177189921 /nfs/dbraw/zinc/18/99/21/177189921.db2.gz DQNJFGKYFQLBRK-JQWIXIFHSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnns2)[C@@H]1c1ccccc1 ZINC000290106438 177268949 /nfs/dbraw/zinc/26/89/49/177268949.db2.gz SKFWSVYKQGQIKT-GWCFXTLKSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnns2)[C@@H]1c1ccccc1 ZINC000290106438 177268950 /nfs/dbraw/zinc/26/89/50/177268950.db2.gz SKFWSVYKQGQIKT-GWCFXTLKSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@H]1C[N@H+](Cc2nccs2)CCC1(F)F ZINC000289757737 177271885 /nfs/dbraw/zinc/27/18/85/177271885.db2.gz KNIWUUMAOVUWAH-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nccs2)CCC1(F)F ZINC000289757737 177271887 /nfs/dbraw/zinc/27/18/87/177271887.db2.gz KNIWUUMAOVUWAH-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000293514199 177272126 /nfs/dbraw/zinc/27/21/26/177272126.db2.gz VJSUZYNBYRVTIM-DTWKUNHWSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000293514199 177272129 /nfs/dbraw/zinc/27/21/29/177272129.db2.gz VJSUZYNBYRVTIM-DTWKUNHWSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000299021381 177273921 /nfs/dbraw/zinc/27/39/21/177273921.db2.gz FVULVPQRRQBQGQ-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000299021381 177273922 /nfs/dbraw/zinc/27/39/22/177273922.db2.gz FVULVPQRRQBQGQ-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000219741607 177275726 /nfs/dbraw/zinc/27/57/26/177275726.db2.gz GELWZRFEYYAPCB-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000219741607 177275728 /nfs/dbraw/zinc/27/57/28/177275728.db2.gz GELWZRFEYYAPCB-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H]1COCC[C@@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000192687855 177295472 /nfs/dbraw/zinc/29/54/72/177295472.db2.gz STKRKIOKPSLUBR-FZMZJTMJSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@H]1COCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000195073382 177297315 /nfs/dbraw/zinc/29/73/15/177297315.db2.gz SCPVNDDQAQETHX-SMDDNHRTSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H]1COCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000195073382 177297316 /nfs/dbraw/zinc/29/73/16/177297316.db2.gz SCPVNDDQAQETHX-SMDDNHRTSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H]1CSCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000277530242 177303878 /nfs/dbraw/zinc/30/38/78/177303878.db2.gz YGWSGXMWFODVMO-SNVBAGLBSA-N 1 2 249.383 2.543 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCF)o1 ZINC000269321184 177351673 /nfs/dbraw/zinc/35/16/73/177351673.db2.gz FDQPDJVNQCIEFF-ONGXEEELSA-N 1 2 211.280 2.804 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCF)o1 ZINC000269321184 177351675 /nfs/dbraw/zinc/35/16/75/177351675.db2.gz FDQPDJVNQCIEFF-ONGXEEELSA-N 1 2 211.280 2.804 20 0 BFADLO C[C@H]1C[C@H](C)N(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000340021496 177359315 /nfs/dbraw/zinc/35/93/15/177359315.db2.gz UCMQACHIVGXKRW-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1C[C@H](C)N(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000340021496 177359317 /nfs/dbraw/zinc/35/93/17/177359317.db2.gz UCMQACHIVGXKRW-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(C(C)(C)C)on1 ZINC000336559119 177360383 /nfs/dbraw/zinc/36/03/83/177360383.db2.gz QROSCAPICITVFP-UWVGGRQHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@H]1C[C@H](Nc2cc[nH+]c3ccncc23)CCO1 ZINC000271392226 177372456 /nfs/dbraw/zinc/37/24/56/177372456.db2.gz MBIBCGLRBOGFEI-WDEREUQCSA-N 1 2 243.310 2.609 20 0 BFADLO Cc1c(F)cccc1Nc1[nH+]cccc1N ZINC000044418799 177610210 /nfs/dbraw/zinc/61/02/10/177610210.db2.gz YFPTWPFEOZOOFQ-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO CC(C)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000079374059 487639280 /nfs/dbraw/zinc/63/92/80/487639280.db2.gz BHKCXTDMBKYZIX-CQSZACIVSA-N 1 2 248.370 2.836 20 0 BFADLO CCc1cc(NCCOCC2CCCC2)nc[nH+]1 ZINC000313469108 487641665 /nfs/dbraw/zinc/64/16/65/487641665.db2.gz FRIDADLFFOPGKP-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO C[C@H]1C[C@H]1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000488353151 225383778 /nfs/dbraw/zinc/38/37/78/225383778.db2.gz PHJYPYMSQHFQFU-RYUDHWBXSA-N 1 2 227.311 2.940 20 0 BFADLO Cc1ccc(F)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492764851 226048518 /nfs/dbraw/zinc/04/85/18/226048518.db2.gz KTMQKJWYVQBPLC-HYXAFXHYSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC1CCCC1 ZINC000492869172 226071855 /nfs/dbraw/zinc/07/18/55/226071855.db2.gz UNJALBCVGOPFBI-FPLPWBNLSA-N 1 2 247.342 2.510 20 0 BFADLO C[C@@H](CCC(C)(C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895123 226076562 /nfs/dbraw/zinc/07/65/62/226076562.db2.gz HSXJHKUJFALMFX-GZTOBOFZSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1F ZINC000492904261 226081900 /nfs/dbraw/zinc/08/19/00/226081900.db2.gz WFRCJQWMLDIYDO-HWKANZROSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)NCCCC1CCCC1 ZINC000493204036 226154673 /nfs/dbraw/zinc/15/46/73/226154673.db2.gz IRYMSSXFOREKEN-BQYQJAHWSA-N 1 2 247.342 2.510 20 0 BFADLO Cc1cc(C)c(CNC(=O)/C=C\C(C)(C)C)c[nH+]1 ZINC000493510179 226235990 /nfs/dbraw/zinc/23/59/90/226235990.db2.gz CIZKKYDGOZKMMN-SREVYHEPSA-N 1 2 246.354 2.917 20 0 BFADLO C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225373 226262634 /nfs/dbraw/zinc/26/26/34/226262634.db2.gz ZTGYRRUXIYMXGB-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225373 226262635 /nfs/dbraw/zinc/26/26/35/226262635.db2.gz ZTGYRRUXIYMXGB-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225375 226262643 /nfs/dbraw/zinc/26/26/43/226262643.db2.gz ZTGYRRUXIYMXGB-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225375 226262644 /nfs/dbraw/zinc/26/26/44/226262644.db2.gz ZTGYRRUXIYMXGB-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO CCn1cc[nH+]c1CNC1(C(F)F)CCCC1 ZINC000674135387 487669070 /nfs/dbraw/zinc/66/90/70/487669070.db2.gz OQENMNTXYGQSRT-UHFFFAOYSA-N 1 2 243.301 2.571 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2cccnc21)C(F)F ZINC000228518314 487669541 /nfs/dbraw/zinc/66/95/41/487669541.db2.gz WVBQRWKUWLEVOV-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO Cc1nocc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424191438 229159462 /nfs/dbraw/zinc/15/94/62/229159462.db2.gz HMAYGWBVNZIYKA-KBPBESRZSA-N 1 2 246.285 2.710 20 0 BFADLO FC1C[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555924 974869421 /nfs/dbraw/zinc/86/94/21/974869421.db2.gz GNCVDUVSOBEROK-OCCSQVGLSA-N 1 2 219.303 2.976 20 0 BFADLO FC1(C[N@@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC000526971515 262799869 /nfs/dbraw/zinc/79/98/69/262799869.db2.gz LSHAFYXQOYEILN-CYBMUJFWSA-N 1 2 235.302 2.562 20 0 BFADLO FC1(C[N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC000526971515 262799871 /nfs/dbraw/zinc/79/98/71/262799871.db2.gz LSHAFYXQOYEILN-CYBMUJFWSA-N 1 2 235.302 2.562 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)ncn2)oc1C ZINC000669701612 487698766 /nfs/dbraw/zinc/69/87/66/487698766.db2.gz FVMFAVUEZSENKV-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO COc1ccc[nH+]c1N1CCCC[C@H](C)C1 ZINC000527964087 262900250 /nfs/dbraw/zinc/90/02/50/262900250.db2.gz GCTCNRVTZFEAGM-NSHDSACASA-N 1 2 220.316 2.717 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1[C@H]1C=CCCC1 ZINC000671715169 487703778 /nfs/dbraw/zinc/70/37/78/487703778.db2.gz QXCGGRFPJNTXTD-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1[C@H]1C=CCCC1 ZINC000671715169 487703783 /nfs/dbraw/zinc/70/37/83/487703783.db2.gz QXCGGRFPJNTXTD-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO COc1ccc(N[C@@H](C)c2cncc(C)c2)[nH+]c1 ZINC000681053903 487708493 /nfs/dbraw/zinc/70/84/93/487708493.db2.gz FOZWKPWADPXLFG-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2CC23CCC3)c(C)[nH+]1 ZINC000675333982 487710557 /nfs/dbraw/zinc/71/05/57/487710557.db2.gz KEIPYGBGMKNXTL-NSHDSACASA-N 1 2 230.311 2.827 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(C)(C)C1 ZINC000672760934 487713471 /nfs/dbraw/zinc/71/34/71/487713471.db2.gz OYIRGADZQFWFLJ-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000234117089 487762733 /nfs/dbraw/zinc/76/27/33/487762733.db2.gz DQTQLOCCEDBXOV-SECBINFHSA-N 1 2 213.271 2.992 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(F)c1 ZINC000631158730 487764084 /nfs/dbraw/zinc/76/40/84/487764084.db2.gz YLDYTHNMQZZTHR-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO CC[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000755998467 585312678 /nfs/dbraw/zinc/31/26/78/585312678.db2.gz XRBFEIATICMOQI-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO CC[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000755998467 585312679 /nfs/dbraw/zinc/31/26/79/585312679.db2.gz XRBFEIATICMOQI-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO CC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1F ZINC000163834007 487773094 /nfs/dbraw/zinc/77/30/94/487773094.db2.gz CWGCPFIOVRFVIX-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1F ZINC000679193310 487776532 /nfs/dbraw/zinc/77/65/32/487776532.db2.gz UHNGDFXJPBOORF-GXSJLCMTSA-N 1 2 235.306 2.538 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC1(CC(C)C)CC1 ZINC000666493566 487820641 /nfs/dbraw/zinc/82/06/41/487820641.db2.gz IMRPTHNUAKEVRI-UHFFFAOYSA-N 1 2 247.342 2.512 20 0 BFADLO CC[C@@](C)(NC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000666490122 487820730 /nfs/dbraw/zinc/82/07/30/487820730.db2.gz MNVOPDBSELQAOD-CQSZACIVSA-N 1 2 247.342 2.512 20 0 BFADLO Cc1cc(NC(=O)NC2(CC(C)C)CC2)cc[nH+]1 ZINC000666490008 487820884 /nfs/dbraw/zinc/82/08/84/487820884.db2.gz LLUIWDQHQCSOKM-UHFFFAOYSA-N 1 2 247.342 2.512 20 0 BFADLO CC[C@@H](C)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000666495959 487822166 /nfs/dbraw/zinc/82/21/66/487822166.db2.gz GPWLYYLCJLVAOP-SNVBAGLBSA-N 1 2 249.358 2.678 20 0 BFADLO CCC[C@H](CNc1ccc(C)[nH+]c1)OC ZINC000386135337 487830437 /nfs/dbraw/zinc/83/04/37/487830437.db2.gz POCZESLXMBSFRF-GFCCVEGCSA-N 1 2 208.305 2.617 20 0 BFADLO CCC[C@@H](CNc1c[nH+]cc(C)c1)OC ZINC000386161112 487832941 /nfs/dbraw/zinc/83/29/41/487832941.db2.gz UUQVDWHZFVAJTG-LBPRGKRZSA-N 1 2 208.305 2.617 20 0 BFADLO CCCCOCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494268360 528590817 /nfs/dbraw/zinc/59/08/17/528590817.db2.gz OCUFAQQLRAVKOY-LLVKDONJSA-N 1 2 235.318 2.780 20 0 BFADLO CCCCOCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494268360 528590825 /nfs/dbraw/zinc/59/08/25/528590825.db2.gz OCUFAQQLRAVKOY-LLVKDONJSA-N 1 2 235.318 2.780 20 0 BFADLO C[C@@H](Nc1ncnc2ccsc21)c1[nH]cc[nH+]1 ZINC000139920603 487896986 /nfs/dbraw/zinc/89/69/86/487896986.db2.gz DMLYBSBKCQUDOX-SSDOTTSWSA-N 1 2 245.311 2.588 20 0 BFADLO Fc1ccc(C[NH+]2CC(C(F)F)C2)c(F)c1 ZINC000679839894 487900572 /nfs/dbraw/zinc/90/05/72/487900572.db2.gz GRONBQMLWHOODL-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO c1csc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000676715570 487904290 /nfs/dbraw/zinc/90/42/90/487904290.db2.gz BITQNAIKLFNYGD-SNVBAGLBSA-N 1 2 248.355 2.593 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2ccncc2)c1 ZINC000652330932 487920720 /nfs/dbraw/zinc/92/07/20/487920720.db2.gz SWDNDVGPXKGQTG-LLVKDONJSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1=CCCC1 ZINC000667061567 487932117 /nfs/dbraw/zinc/93/21/17/487932117.db2.gz RIMUYMASWMLZCK-UHFFFAOYSA-N 1 2 245.326 2.930 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC2CC1(C)C2 ZINC000667061253 487935508 /nfs/dbraw/zinc/93/55/08/487935508.db2.gz KNWUFFXTRVZRCQ-UHFFFAOYSA-N 1 2 245.326 2.715 20 0 BFADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccsc1 ZINC000669940026 487943900 /nfs/dbraw/zinc/94/39/00/487943900.db2.gz UWBZTPDRPDFGDE-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO CCc1nc(N2CCCC2(C)C)cc(C)[nH+]1 ZINC000561193770 322996836 /nfs/dbraw/zinc/99/68/36/322996836.db2.gz OGWZCONEYVVQOZ-UHFFFAOYSA-N 1 2 219.332 2.726 20 0 BFADLO Cc1nnsc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000562442698 323020023 /nfs/dbraw/zinc/02/00/23/323020023.db2.gz ZSTMMRCNQQLPSV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nnsc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000562442698 323020024 /nfs/dbraw/zinc/02/00/24/323020024.db2.gz ZSTMMRCNQQLPSV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCOC1C[NH+](Cc2ccc(CC)s2)C1 ZINC000562686641 323027687 /nfs/dbraw/zinc/02/76/87/323027687.db2.gz OTKHTIUJVUETTP-UHFFFAOYSA-N 1 2 225.357 2.531 20 0 BFADLO CCC[C@@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570049793 323048083 /nfs/dbraw/zinc/04/80/83/323048083.db2.gz IHQFLNOQXIDJIS-NWDGAFQWSA-N 1 2 237.347 2.529 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160252171 323064526 /nfs/dbraw/zinc/06/45/26/323064526.db2.gz BKSLYLGREORZIX-JSGCOSHPSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1[nH]c(CNc2ccc(F)cc2)[nH+]c1C ZINC000570827838 323071905 /nfs/dbraw/zinc/07/19/05/323071905.db2.gz PDBULLZMZUAEPV-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO CC(C)C[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607222 323077349 /nfs/dbraw/zinc/07/73/49/323077349.db2.gz FJKNFTPAVZSVQO-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)C[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053607222 323077350 /nfs/dbraw/zinc/07/73/50/323077350.db2.gz FJKNFTPAVZSVQO-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CCCCc1nc(C[N@H+](C)C2CCCC2)no1 ZINC000053605085 323077381 /nfs/dbraw/zinc/07/73/81/323077381.db2.gz HPAQWADYGVTHNE-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@@H+](C)C2CCCC2)no1 ZINC000053605085 323077382 /nfs/dbraw/zinc/07/73/82/323077382.db2.gz HPAQWADYGVTHNE-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCC[C@@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184708120 323091215 /nfs/dbraw/zinc/09/12/15/323091215.db2.gz KGXPHRGOERFKRM-GFCCVEGCSA-N 1 2 243.297 2.745 20 0 BFADLO Cc1cc(NC(=O)NC[C@H](C)C(C)C)c(C)c[nH+]1 ZINC000534324737 323116581 /nfs/dbraw/zinc/11/65/81/323116581.db2.gz BZYSREGMZMUOOS-JTQLQIEISA-N 1 2 249.358 2.534 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2cc(C)[nH+]cc2C)o1 ZINC000535036495 323164294 /nfs/dbraw/zinc/16/42/94/323164294.db2.gz XDMTYYZOQUEWPC-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(C)c[nH+]1 ZINC000535036505 323164377 /nfs/dbraw/zinc/16/43/77/323164377.db2.gz XLPLMDBYTMWSAE-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO C[N@@H+](Cc1nnsc1Cl)CC1CCCC1 ZINC000070158341 323169679 /nfs/dbraw/zinc/16/96/79/323169679.db2.gz VZILUNZEWYRTKP-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO C[N@H+](Cc1nnsc1Cl)CC1CCCC1 ZINC000070158341 323169680 /nfs/dbraw/zinc/16/96/80/323169680.db2.gz VZILUNZEWYRTKP-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO Cc1cc(NC(=O)NCCC(C)(C)C)c(C)c[nH+]1 ZINC000535773073 323190836 /nfs/dbraw/zinc/19/08/36/323190836.db2.gz HGKGGNSPEKVRLB-UHFFFAOYSA-N 1 2 249.358 2.678 20 0 BFADLO CC[C@@H]1CCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000535774754 323190940 /nfs/dbraw/zinc/19/09/40/323190940.db2.gz FVPFUYIKUIFRHJ-GFCCVEGCSA-N 1 2 247.342 2.527 20 0 BFADLO CC[C@H]1CCCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000535774756 323191000 /nfs/dbraw/zinc/19/10/00/323191000.db2.gz FVPFUYIKUIFRHJ-LBPRGKRZSA-N 1 2 247.342 2.527 20 0 BFADLO Cc1cc(NC(=O)N(C)C2CCCC2)c(C)c[nH+]1 ZINC000536620636 323198843 /nfs/dbraw/zinc/19/88/43/323198843.db2.gz IARIWOVETYLMMC-UHFFFAOYSA-N 1 2 247.342 2.527 20 0 BFADLO CCOc1ccccc1C[N@H+](C)Cc1ccno1 ZINC000532474429 323268514 /nfs/dbraw/zinc/26/85/14/323268514.db2.gz PJIBFNUQAUFHQN-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccccc1C[N@@H+](C)Cc1ccno1 ZINC000532474429 323268516 /nfs/dbraw/zinc/26/85/16/323268516.db2.gz PJIBFNUQAUFHQN-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO FC1(CNc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000526972038 323308397 /nfs/dbraw/zinc/30/83/97/323308397.db2.gz NEMWKYJIMCJHGV-UHFFFAOYSA-N 1 2 231.274 2.786 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000528034057 323742476 /nfs/dbraw/zinc/74/24/76/323742476.db2.gz RSSCKSIIHKYHMS-OUAUKWLOSA-N 1 2 218.300 2.691 20 0 BFADLO C/C=C/C=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000119116896 323911742 /nfs/dbraw/zinc/91/17/42/323911742.db2.gz ZNMYBASTFTUZFO-YTXTXJHMSA-N 1 2 216.284 2.769 20 0 BFADLO c1[nH]cc(NCc2ccc3c(c2)CCCC3)[nH+]1 ZINC000514770793 324111770 /nfs/dbraw/zinc/11/17/70/324111770.db2.gz WMYOHJNRUHMKQJ-UHFFFAOYSA-N 1 2 227.311 2.901 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000521196203 324178499 /nfs/dbraw/zinc/17/84/99/324178499.db2.gz PKAFIFIJOQCNGN-GHMZBOCLSA-N 1 2 233.315 2.908 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccco2)C1 ZINC000529642565 324369746 /nfs/dbraw/zinc/36/97/46/324369746.db2.gz WBTBXBRQEVAZIY-UHFFFAOYSA-N 1 2 223.316 2.669 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2cccnc2C)C1 ZINC000529642478 324369771 /nfs/dbraw/zinc/36/97/71/324369771.db2.gz SQPVCTIXXKIHRN-UHFFFAOYSA-N 1 2 248.370 2.779 20 0 BFADLO CCCC(CCC)[S@@](=O)Cc1[nH+]ccn1C ZINC000129291372 324934172 /nfs/dbraw/zinc/93/41/72/324934172.db2.gz ZMJMVDAREGWHNC-MRXNPFEDSA-N 1 2 242.388 2.638 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000540948955 324934257 /nfs/dbraw/zinc/93/42/57/324934257.db2.gz MMBOUQBHFRBHCJ-CABZTGNLSA-N 1 2 234.343 2.741 20 0 BFADLO Cc1nc(N2C3CCC2CC3)c2c([nH+]1)CCCC2 ZINC000542019470 325004811 /nfs/dbraw/zinc/00/48/11/325004811.db2.gz VETFTRSQIGSIIL-UHFFFAOYSA-N 1 2 243.354 2.795 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CCc2ccccc2C1 ZINC000542914889 325061987 /nfs/dbraw/zinc/06/19/87/325061987.db2.gz JCBQRRVUTWPJPN-LLVKDONJSA-N 1 2 239.309 2.988 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CCc2ccccc2C1 ZINC000542914889 325061988 /nfs/dbraw/zinc/06/19/88/325061988.db2.gz JCBQRRVUTWPJPN-LLVKDONJSA-N 1 2 239.309 2.988 20 0 BFADLO CCC1(CNc2[nH+]cccc2OC)CC1 ZINC000233013021 325172901 /nfs/dbraw/zinc/17/29/01/325172901.db2.gz FRMMBWRVBSETKM-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000131758210 325182379 /nfs/dbraw/zinc/18/23/79/325182379.db2.gz MBAOICUABMMFCW-LBPRGKRZSA-N 1 2 245.326 2.567 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3sccc3C2)no1 ZINC000073368830 325197591 /nfs/dbraw/zinc/19/75/91/325197591.db2.gz SNQYVFZTHZNWQV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cc(C[N@H+]2CCc3sccc3C2)no1 ZINC000073368830 325197593 /nfs/dbraw/zinc/19/75/93/325197593.db2.gz SNQYVFZTHZNWQV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO COc1ccc[nH+]c1NCc1cc(O)cc(F)c1 ZINC000547448910 325356224 /nfs/dbraw/zinc/35/62/24/325356224.db2.gz TWXAOEYRVPEZDJ-UHFFFAOYSA-N 1 2 248.257 2.547 20 0 BFADLO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1ccon1 ZINC000547509802 325366349 /nfs/dbraw/zinc/36/63/49/325366349.db2.gz ZUDCEWVKLDAFFX-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(Cl)cn1 ZINC000134874882 325380853 /nfs/dbraw/zinc/38/08/53/325380853.db2.gz BHIURDNPKFHYTK-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO COC(=O)c1sccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000548097473 325429520 /nfs/dbraw/zinc/42/95/20/325429520.db2.gz GVVWATBIRUZOKQ-IUCAKERBSA-N 1 2 239.340 2.517 20 0 BFADLO CC(C)CCc1noc(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000548754172 325478740 /nfs/dbraw/zinc/47/87/40/325478740.db2.gz VMNNAQFHEMSVMX-QWRGUYRKSA-N 1 2 237.347 2.641 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC000552043911 325591126 /nfs/dbraw/zinc/59/11/26/325591126.db2.gz GPVPOTQRUVKJGT-QWRGUYRKSA-N 1 2 247.346 2.599 20 0 BFADLO CC(C)COc1cccc(-n2cc[nH+]c2)c1 ZINC000085263959 325593511 /nfs/dbraw/zinc/59/35/11/325593511.db2.gz OYVBQOHEORFZEO-UHFFFAOYSA-N 1 2 216.284 2.907 20 0 BFADLO C[C@H](CC1CCCC1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000552227687 325612001 /nfs/dbraw/zinc/61/20/01/325612001.db2.gz MKZWZYVKMSXIRA-GHMZBOCLSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(F)cc(F)c1 ZINC000094827180 325785878 /nfs/dbraw/zinc/78/58/78/325785878.db2.gz VUNOTVLOARUOKD-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2cscn2)cn1 ZINC000565549934 325927169 /nfs/dbraw/zinc/92/71/69/325927169.db2.gz OYUDEWLKVTVQMS-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566469306 326052548 /nfs/dbraw/zinc/05/25/48/326052548.db2.gz DAVQGTAYANOCIO-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC(C2CCCC2)C1 ZINC000566485430 326056981 /nfs/dbraw/zinc/05/69/81/326056981.db2.gz JQIVVWWIDIVRDK-UHFFFAOYSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)oc1C ZINC000566688794 326074573 /nfs/dbraw/zinc/07/45/73/326074573.db2.gz BSPVPJVKHBBSRV-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CCc1onc(C)c1C(=O)Nc1cc[nH+]cc1C ZINC000153539248 326101364 /nfs/dbraw/zinc/10/13/64/326101364.db2.gz RRPQROAUIYXGBF-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO COC(=O)C1([NH2+]CC=C(C)C)CCCCCC1 ZINC000154803842 326165257 /nfs/dbraw/zinc/16/52/57/326165257.db2.gz FJJTUPTXEQPGTN-UHFFFAOYSA-N 1 2 239.359 2.808 20 0 BFADLO COc1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)ccn1 ZINC000568239717 326332950 /nfs/dbraw/zinc/33/29/50/326332950.db2.gz RJTFAKJMJPQJJJ-RKDXNWHRSA-N 1 2 244.285 2.785 20 0 BFADLO CCc1nc(C[NH+]2CCC3(CCCC3)CC2)n[nH]1 ZINC000158632222 326334392 /nfs/dbraw/zinc/33/43/92/326334392.db2.gz QHUSGTMSIDPQBB-UHFFFAOYSA-N 1 2 248.374 2.523 20 0 BFADLO Cc1[nH]c(CNc2ccc(C)cc2)[nH+]c1C ZINC000568273239 326339262 /nfs/dbraw/zinc/33/92/62/326339262.db2.gz NOMLSDBEOUGXNN-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCOC2(CCC2)C1 ZINC000568354674 326348445 /nfs/dbraw/zinc/34/84/45/326348445.db2.gz KDCVIYGSAVZNNR-LLVKDONJSA-N 1 2 248.326 2.604 20 0 BFADLO c1cnc2c(c1)C[N@@H+](CC1=CCCCC1)C2 ZINC000569232656 326396441 /nfs/dbraw/zinc/39/64/41/326396441.db2.gz LPLJQXNWFRCIOL-UHFFFAOYSA-N 1 2 214.312 2.898 20 0 BFADLO c1cnc2c(c1)C[N@H+](CC1=CCCCC1)C2 ZINC000569232656 326396442 /nfs/dbraw/zinc/39/64/42/326396442.db2.gz LPLJQXNWFRCIOL-UHFFFAOYSA-N 1 2 214.312 2.898 20 0 BFADLO c1[nH]cc(NCc2ccc(C3CC3)cc2)[nH+]1 ZINC000572938091 326419741 /nfs/dbraw/zinc/41/97/41/326419741.db2.gz OUVZOYBLJOBXOE-UHFFFAOYSA-N 1 2 213.284 2.899 20 0 BFADLO Cc1c[nH+]c2cc(-c3nc(C4CC4)no3)ccn12 ZINC000573137431 326431895 /nfs/dbraw/zinc/43/18/95/326431895.db2.gz NPPRRVIVEBVGAT-UHFFFAOYSA-N 1 2 240.266 2.570 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000073854624 487979950 /nfs/dbraw/zinc/97/99/50/487979950.db2.gz ISGRKWWPGHUTNY-SECBINFHSA-N 1 2 229.274 2.653 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000073854624 487979954 /nfs/dbraw/zinc/97/99/54/487979954.db2.gz ISGRKWWPGHUTNY-SECBINFHSA-N 1 2 229.274 2.653 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CC(F)F ZINC000682536708 487981243 /nfs/dbraw/zinc/98/12/43/487981243.db2.gz QHZYREQFVBFMAP-LURJTMIESA-N 1 2 231.208 2.914 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC(F)F ZINC000682536708 487981248 /nfs/dbraw/zinc/98/12/48/487981248.db2.gz QHZYREQFVBFMAP-LURJTMIESA-N 1 2 231.208 2.914 20 0 BFADLO O[C@@H]1C[N@H+](CC2CCCCCC2)CC(F)(F)C1 ZINC000682547667 487986735 /nfs/dbraw/zinc/98/67/35/487986735.db2.gz TUSKUTCPLRTDSJ-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1C[N@@H+](CC2CCCCCC2)CC(F)(F)C1 ZINC000682547667 487986740 /nfs/dbraw/zinc/98/67/40/487986740.db2.gz TUSKUTCPLRTDSJ-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO CC1(C)SC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000669999358 487986948 /nfs/dbraw/zinc/98/69/48/487986948.db2.gz PRDNDRUWLNZTOP-GFCCVEGCSA-N 1 2 247.367 2.547 20 0 BFADLO C[C@H](Nc1cc[nH+]c2ccncc12)C1CCC1 ZINC000677308685 488013257 /nfs/dbraw/zinc/01/32/57/488013257.db2.gz OUWAYYXZYUMJHF-JTQLQIEISA-N 1 2 227.311 2.652 20 0 BFADLO Cc1ccc2cc(C[N@@H+]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000667492678 488025563 /nfs/dbraw/zinc/02/55/63/488025563.db2.gz RBVAIFVMCOTHKA-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2cc(C[N@H+]3CCO[C@@H](C)C3)[nH]c2c1 ZINC000667492678 488025567 /nfs/dbraw/zinc/02/55/67/488025567.db2.gz RBVAIFVMCOTHKA-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2cc(C[N@@H+]3CCO[C@H](C)C3)[nH]c2c1 ZINC000667492677 488025903 /nfs/dbraw/zinc/02/59/03/488025903.db2.gz RBVAIFVMCOTHKA-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2cc(C[N@H+]3CCO[C@H](C)C3)[nH]c2c1 ZINC000667492677 488025906 /nfs/dbraw/zinc/02/59/06/488025906.db2.gz RBVAIFVMCOTHKA-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2cnccc2c1 ZINC000236120529 488042694 /nfs/dbraw/zinc/04/26/94/488042694.db2.gz RIYIPKOLSFLZBB-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000666085326 488064869 /nfs/dbraw/zinc/06/48/69/488064869.db2.gz DRDXGRCSDRSBDM-JTQLQIEISA-N 1 2 245.326 2.582 20 0 BFADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)s1 ZINC000140761639 488072239 /nfs/dbraw/zinc/07/22/39/488072239.db2.gz PHHVGQHNKBQKMV-MRVPVSSYSA-N 1 2 249.339 2.579 20 0 BFADLO CC[C@@](C)(CNc1ccc(C)[nH+]c1)OC ZINC000319910277 488078801 /nfs/dbraw/zinc/07/88/01/488078801.db2.gz RAJGKARJFOSFDR-LBPRGKRZSA-N 1 2 208.305 2.617 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)C(=O)CCCC2 ZINC000656369561 488081553 /nfs/dbraw/zinc/08/15/53/488081553.db2.gz AEOIDZYUJGFCBG-UHFFFAOYSA-N 1 2 240.306 2.996 20 0 BFADLO Clc1ccc2c(c1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC000683000400 488083529 /nfs/dbraw/zinc/08/35/29/488083529.db2.gz YHEGMCOHXRKMMH-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1ccc2c(c1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC000683000400 488083535 /nfs/dbraw/zinc/08/35/35/488083535.db2.gz YHEGMCOHXRKMMH-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1nc(CNc2cc3cc[nH]c3c[nH+]2)cs1 ZINC000672167237 488109013 /nfs/dbraw/zinc/10/90/13/488109013.db2.gz BQEFVVUWXYEZRH-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000378908561 488112191 /nfs/dbraw/zinc/11/21/91/488112191.db2.gz HBAAIAQCBIWWKM-WXHSDQCUSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000378908559 488112406 /nfs/dbraw/zinc/11/24/06/488112406.db2.gz HBAAIAQCBIWWKM-KGYLQXTDSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1noc([C@H](C)[N@@H+]2CCc3ccsc3C2)n1 ZINC000677740433 488116597 /nfs/dbraw/zinc/11/65/97/488116597.db2.gz QNIHUMNLNUXCNO-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1noc([C@H](C)[N@H+]2CCc3ccsc3C2)n1 ZINC000677740433 488116601 /nfs/dbraw/zinc/11/66/01/488116601.db2.gz QNIHUMNLNUXCNO-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO CC(C)(C)c1nc(NC2CC(F)(F)C2)cc[nH+]1 ZINC000683198471 488128508 /nfs/dbraw/zinc/12/85/08/488128508.db2.gz UIOJVXXTVWUELJ-UHFFFAOYSA-N 1 2 241.285 2.984 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)no1 ZINC000668795587 487549310 /nfs/dbraw/zinc/54/93/10/487549310.db2.gz CPITWNVHYVPTLS-WCQYABFASA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)no1 ZINC000668795587 487549311 /nfs/dbraw/zinc/54/93/11/487549311.db2.gz CPITWNVHYVPTLS-WCQYABFASA-N 1 2 249.358 2.802 20 0 BFADLO CC[N@H+](C[C@@H](C)CO)c1cc(C)cc(C)c1 ZINC000121323489 490081962 /nfs/dbraw/zinc/08/19/62/490081962.db2.gz WCVDXOZEANSUCD-CYBMUJFWSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@@H](C)CO)c1cc(C)cc(C)c1 ZINC000121323489 490081965 /nfs/dbraw/zinc/08/19/65/490081965.db2.gz WCVDXOZEANSUCD-CYBMUJFWSA-N 1 2 221.344 2.758 20 0 BFADLO Cc1cc(N[C@H](C(C)C)C2CC2)nc[nH+]1 ZINC000324193627 487553785 /nfs/dbraw/zinc/55/37/85/487553785.db2.gz ZQDFHTQYGFQEFL-GFCCVEGCSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1cc(NCC[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000680068506 487530838 /nfs/dbraw/zinc/53/08/38/487530838.db2.gz KLTSTFJSGLBIDW-NWDGAFQWSA-N 1 2 249.358 2.656 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000679905562 487484387 /nfs/dbraw/zinc/48/43/87/487484387.db2.gz XBTKPODCCRJWPI-MNOVXSKESA-N 1 2 234.343 2.796 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000678463344 487486555 /nfs/dbraw/zinc/48/65/55/487486555.db2.gz AWPRDNKUKWYKFM-BDAKNGLRSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000678463344 487486557 /nfs/dbraw/zinc/48/65/57/487486557.db2.gz AWPRDNKUKWYKFM-BDAKNGLRSA-N 1 2 248.248 2.928 20 0 BFADLO Cn1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cn1 ZINC000674008737 487498142 /nfs/dbraw/zinc/49/81/42/487498142.db2.gz CMRUFFQYNQDNOC-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cn1 ZINC000674008737 487498150 /nfs/dbraw/zinc/49/81/50/487498150.db2.gz CMRUFFQYNQDNOC-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO COc1ccc(N[C@H](C)[C@H]2C[C@H]2C)[nH+]c1 ZINC000666120353 487504415 /nfs/dbraw/zinc/50/44/15/487504415.db2.gz PXXDJQOEKPKXOQ-KKZNHRDASA-N 1 2 206.289 2.547 20 0 BFADLO CC(C)c1nc(NC2(CCO)CCCC2)cc[nH+]1 ZINC000685261000 487506716 /nfs/dbraw/zinc/50/67/16/487506716.db2.gz WBSRPXFYRPVTNN-UHFFFAOYSA-N 1 2 249.358 2.707 20 0 BFADLO CO[C@H](C)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064649 487506235 /nfs/dbraw/zinc/50/62/35/487506235.db2.gz WFSZQVZMXSSCQD-SNVBAGLBSA-N 1 2 237.347 2.611 20 0 BFADLO CCc1cc(NC[C@@H](C)c2ccncc2)nc[nH+]1 ZINC000674066341 487507486 /nfs/dbraw/zinc/50/74/86/487507486.db2.gz JGMDLXOCEQMKHE-LLVKDONJSA-N 1 2 242.326 2.650 20 0 BFADLO CCC[C@@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685650917 487570713 /nfs/dbraw/zinc/57/07/13/487570713.db2.gz UPPQCYLECPJTKV-SNVBAGLBSA-N 1 2 246.314 2.644 20 0 BFADLO COc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000665739708 487672230 /nfs/dbraw/zinc/67/22/30/487672230.db2.gz AMXNDKSDYXDUOB-ADEWGFFLSA-N 1 2 218.300 2.691 20 0 BFADLO Cc1cc[nH+]cc1NCc1n[nH]c2ccccc12 ZINC000676494377 487856885 /nfs/dbraw/zinc/85/68/85/487856885.db2.gz WDXYNFLZTQFGGG-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO c1ccc2[nH+]c(N[C@@H]3C[C@H]4CC[C@@H]3O4)ccc2c1 ZINC000158748252 487974308 /nfs/dbraw/zinc/97/43/08/487974308.db2.gz GIJKUXKGRDKETA-BNOWGMLFSA-N 1 2 240.306 2.967 20 0 BFADLO Cc1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)c(C)[nH+]1 ZINC000667912915 488155538 /nfs/dbraw/zinc/15/55/38/488155538.db2.gz RAWFEWYLBGDGIO-GXTWGEPZSA-N 1 2 232.327 2.678 20 0 BFADLO CCCN(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667950173 488163987 /nfs/dbraw/zinc/16/39/87/488163987.db2.gz ZWKWUPUWXVZRJM-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO CC(C)c1csc(Cn2cc[nH+]c2)n1 ZINC000200941852 488179006 /nfs/dbraw/zinc/17/90/06/488179006.db2.gz SHVYHVSLWHRIDR-UHFFFAOYSA-N 1 2 207.302 2.511 20 0 BFADLO CC[N@H+](C[C@H](C)CO)c1cccc(C)c1C ZINC000678045552 488181296 /nfs/dbraw/zinc/18/12/96/488181296.db2.gz DBRSKLXYJRDCET-NSHDSACASA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@H](C)CO)c1cccc(C)c1C ZINC000678045552 488181297 /nfs/dbraw/zinc/18/12/97/488181297.db2.gz DBRSKLXYJRDCET-NSHDSACASA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@H+](C[C@@H](C)CO)c1cccc(C)c1C ZINC000678045551 488181378 /nfs/dbraw/zinc/18/13/78/488181378.db2.gz DBRSKLXYJRDCET-LLVKDONJSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@@H](C)CO)c1cccc(C)c1C ZINC000678045551 488181381 /nfs/dbraw/zinc/18/13/81/488181381.db2.gz DBRSKLXYJRDCET-LLVKDONJSA-N 1 2 221.344 2.758 20 0 BFADLO Oc1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000672170701 488182508 /nfs/dbraw/zinc/18/25/08/488182508.db2.gz CLBKSLSXIMUYPM-UHFFFAOYSA-N 1 2 239.278 2.881 20 0 BFADLO OC[C@H](Nc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000664170096 488191131 /nfs/dbraw/zinc/19/11/31/488191131.db2.gz ACJUSBNIQQSTIG-AWEZNQCLSA-N 1 2 242.322 2.808 20 0 BFADLO Cc1n[nH]cc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000683721834 488212687 /nfs/dbraw/zinc/21/26/87/488212687.db2.gz VTBWFAXHDBJFRO-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1n[nH]cc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000683721834 488212690 /nfs/dbraw/zinc/21/26/90/488212690.db2.gz VTBWFAXHDBJFRO-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cccc2[nH]c(C[N@H+]3CCOC[C@@H]3C)cc21 ZINC000668203595 488223669 /nfs/dbraw/zinc/22/36/69/488223669.db2.gz MRQRNTXTKBNLKZ-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cccc2[nH]c(C[N@@H+]3CCOC[C@@H]3C)cc21 ZINC000668203595 488223671 /nfs/dbraw/zinc/22/36/71/488223671.db2.gz MRQRNTXTKBNLKZ-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Clc1cccc2c1CC[N@H+](Cc1cn[nH]c1)C2 ZINC000678259240 488227674 /nfs/dbraw/zinc/22/76/74/488227674.db2.gz HDECPZCBOXPBMO-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1cccc2c1CC[N@@H+](Cc1cn[nH]c1)C2 ZINC000678259240 488227677 /nfs/dbraw/zinc/22/76/77/488227677.db2.gz HDECPZCBOXPBMO-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1n[nH]c(C)c1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672199480 488244338 /nfs/dbraw/zinc/24/43/38/488244338.db2.gz JLEAPHLTIUTQBV-UHFFFAOYSA-N 1 2 241.298 2.515 20 0 BFADLO COc1ccc(N[C@H](C)Cc2ccoc2)[nH+]c1 ZINC000672232953 488246872 /nfs/dbraw/zinc/24/68/72/488246872.db2.gz OKFPZNVIIQJDSK-SNVBAGLBSA-N 1 2 232.283 2.726 20 0 BFADLO COc1ccc(N[C@@H](C)Cc2ccoc2)[nH+]c1 ZINC000672232952 488247002 /nfs/dbraw/zinc/24/70/02/488247002.db2.gz OKFPZNVIIQJDSK-JTQLQIEISA-N 1 2 232.283 2.726 20 0 BFADLO CC[C@@]1(Nc2cc(C)[nH+]c(C3CC3)n2)CCOC1 ZINC000672276111 488249974 /nfs/dbraw/zinc/24/99/74/488249974.db2.gz SGHWJHKWXZWDHU-CQSZACIVSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1nc(N2CCC[C@@H]3C[C@@H]32)c2c([nH+]1)CCCC2 ZINC000672322970 488251181 /nfs/dbraw/zinc/25/11/81/488251181.db2.gz SYGCXUJTFOMNEK-RISCZKNCSA-N 1 2 243.354 2.653 20 0 BFADLO CCc1cc(N[C@H]2CCO[C@H](C(C)C)C2)nc[nH+]1 ZINC000678485370 488261111 /nfs/dbraw/zinc/26/11/11/488261111.db2.gz YWBUATTXAYLEJA-STQMWFEESA-N 1 2 249.358 2.655 20 0 BFADLO C[C@H]1C[C@H](C)CN(c2cc[nH+]cc2F)C1 ZINC000678786346 488282805 /nfs/dbraw/zinc/28/28/05/488282805.db2.gz IILAVINZJJPUQJ-UWVGGRQHSA-N 1 2 208.280 2.703 20 0 BFADLO CN(Cc1cccs1)c1cc[nH+]cc1F ZINC000678788228 488283147 /nfs/dbraw/zinc/28/31/47/488283147.db2.gz FSSPDHMSZYQBOR-UHFFFAOYSA-N 1 2 222.288 2.919 20 0 BFADLO CN(Cc1ccc(F)cc1)c1cc[nH+]cc1F ZINC000678789252 488283538 /nfs/dbraw/zinc/28/35/38/488283538.db2.gz VTJXBHQTGPHPQR-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO CCc1cc(N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)nc[nH+]1 ZINC000678831295 488288895 /nfs/dbraw/zinc/28/88/95/488288895.db2.gz NDVXBCBCHVYZMC-WQAKAFBOSA-N 1 2 249.358 2.510 20 0 BFADLO CC[C@H](C)n1ncc(NCc2cn(C)c[nH+]2)c1C ZINC000673607831 488297478 /nfs/dbraw/zinc/29/74/78/488297478.db2.gz PXHPXDCJEHPJJP-JTQLQIEISA-N 1 2 247.346 2.508 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678948775 488297896 /nfs/dbraw/zinc/29/78/96/488297896.db2.gz JSVVBLBGSIQKGP-GHMZBOCLSA-N 1 2 243.310 2.709 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+](C)CC1(F)CC1 ZINC000684361445 488300889 /nfs/dbraw/zinc/30/08/89/488300889.db2.gz RMVKYBFJRXTCAE-UHFFFAOYSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+](C)CC1(F)CC1 ZINC000684361445 488300891 /nfs/dbraw/zinc/30/08/91/488300891.db2.gz RMVKYBFJRXTCAE-UHFFFAOYSA-N 1 2 247.317 2.507 20 0 BFADLO Fc1cc(F)c2c(c1)C[N@@H+](CC1(F)CC1)CC2 ZINC000684362451 488301057 /nfs/dbraw/zinc/30/10/57/488301057.db2.gz HMUDAICQLKGUQI-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Fc1cc(F)c2c(c1)C[N@H+](CC1(F)CC1)CC2 ZINC000684362451 488301061 /nfs/dbraw/zinc/30/10/61/488301061.db2.gz HMUDAICQLKGUQI-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cocn1)CCC2 ZINC000679050045 488304999 /nfs/dbraw/zinc/30/49/99/488304999.db2.gz VXKNEHHLIFMCQC-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000684392898 488305086 /nfs/dbraw/zinc/30/50/86/488305086.db2.gz SJXCXIIQTUSWAF-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000684392898 488305089 /nfs/dbraw/zinc/30/50/89/488305089.db2.gz SJXCXIIQTUSWAF-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO COc1ccc(N[C@H](C)c2cnccc2C)[nH+]c1 ZINC000679069183 488305445 /nfs/dbraw/zinc/30/54/45/488305445.db2.gz ZLKXYMOGVPBDTM-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO CC(C)C1C[NH+](Cc2cn3cccc(F)c3n2)C1 ZINC000684409510 488308466 /nfs/dbraw/zinc/30/84/66/488308466.db2.gz WUHFTDWWNRSAKP-UHFFFAOYSA-N 1 2 247.317 2.561 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1F ZINC000679192684 488315976 /nfs/dbraw/zinc/31/59/76/488315976.db2.gz PDFMOZKIDXGWDS-ZYHUDNBSSA-N 1 2 245.301 2.814 20 0 BFADLO c1nc(C[NH2+][C@@H](c2cccnc2)C2CCC2)co1 ZINC000684611941 488332123 /nfs/dbraw/zinc/33/21/23/488332123.db2.gz NOWZVGCGJLQCQS-CQSZACIVSA-N 1 2 243.310 2.701 20 0 BFADLO CC1=CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000684800673 488343440 /nfs/dbraw/zinc/34/34/40/488343440.db2.gz YKQLZEGFPHGRCI-UHFFFAOYSA-N 1 2 245.301 2.625 20 0 BFADLO CC1=CCC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000684800673 488343442 /nfs/dbraw/zinc/34/34/42/488343442.db2.gz YKQLZEGFPHGRCI-UHFFFAOYSA-N 1 2 245.301 2.625 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000679358495 488345076 /nfs/dbraw/zinc/34/50/76/488345076.db2.gz JXJPJILCOUIVHV-PWSUYJOCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000679358495 488345077 /nfs/dbraw/zinc/34/50/77/488345077.db2.gz JXJPJILCOUIVHV-PWSUYJOCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C[C@@H]1F ZINC000679358495 488345079 /nfs/dbraw/zinc/34/50/79/488345079.db2.gz JXJPJILCOUIVHV-PWSUYJOCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C[C@@H]1F ZINC000679358495 488345080 /nfs/dbraw/zinc/34/50/80/488345080.db2.gz JXJPJILCOUIVHV-PWSUYJOCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000679358491 488345221 /nfs/dbraw/zinc/34/52/21/488345221.db2.gz JXJPJILCOUIVHV-CMPLNLGQSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000679358491 488345223 /nfs/dbraw/zinc/34/52/23/488345223.db2.gz JXJPJILCOUIVHV-CMPLNLGQSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C[C@H]1F ZINC000679358491 488345226 /nfs/dbraw/zinc/34/52/26/488345226.db2.gz JXJPJILCOUIVHV-CMPLNLGQSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C[C@H]1F ZINC000679358491 488345228 /nfs/dbraw/zinc/34/52/28/488345228.db2.gz JXJPJILCOUIVHV-CMPLNLGQSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H](CCc1cccc(F)c1)Nc1c[nH]c[nH+]1 ZINC000684836652 488347714 /nfs/dbraw/zinc/34/77/14/488347714.db2.gz ZVBJNFWGEJKJFE-JTQLQIEISA-N 1 2 233.290 2.982 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+]C(C)(C)C(F)F ZINC000684929078 488353717 /nfs/dbraw/zinc/35/37/17/488353717.db2.gz MXZFJRDYAQFZJD-UHFFFAOYSA-N 1 2 245.317 2.906 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccon1 ZINC000679546515 488357934 /nfs/dbraw/zinc/35/79/34/488357934.db2.gz PQPACGFXOREMQK-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccon1 ZINC000679546515 488357935 /nfs/dbraw/zinc/35/79/35/488357935.db2.gz PQPACGFXOREMQK-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO FC(F)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC000679840409 488368188 /nfs/dbraw/zinc/36/81/88/488368188.db2.gz OTQIVTZWZIOFEQ-UHFFFAOYSA-N 1 2 238.237 2.525 20 0 BFADLO COc1ccc(CNc2cc[nH+]cc2F)cc1C ZINC000362794451 490136619 /nfs/dbraw/zinc/13/66/19/490136619.db2.gz MKVDPPHGXTULEJ-UHFFFAOYSA-N 1 2 246.285 2.572 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000122540085 490149001 /nfs/dbraw/zinc/14/90/01/490149001.db2.gz YSQUYLRPVIBLII-GFCCVEGCSA-N 1 2 233.290 2.790 20 0 BFADLO COC[C@@H](CC(C)(C)C)[NH2+]C1(C(F)F)CC1 ZINC000652196810 490170477 /nfs/dbraw/zinc/17/04/77/490170477.db2.gz FCFSPCRFXWGIEN-SECBINFHSA-N 1 2 235.318 2.825 20 0 BFADLO CCC1(CC)C[NH+](Cc2c(Cl)cnn2C)C1 ZINC000297553669 490316606 /nfs/dbraw/zinc/31/66/06/490316606.db2.gz ZTMAEMBCOIZFPK-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cc1cc(C)cc(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000074727078 490501496 /nfs/dbraw/zinc/50/14/96/490501496.db2.gz SFJIPNJKJSMAKM-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cc(C)cc(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000074727078 490501503 /nfs/dbraw/zinc/50/15/03/490501503.db2.gz SFJIPNJKJSMAKM-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CCc1cc(N[C@@H](CC)C2CCOCC2)nc[nH+]1 ZINC000074774408 490504099 /nfs/dbraw/zinc/50/40/99/490504099.db2.gz FYRQGRTYLVIESC-ZDUSSCGKSA-N 1 2 249.358 2.656 20 0 BFADLO CC(C)CNc1cc[nH+]c2ccncc12 ZINC000085652533 490566773 /nfs/dbraw/zinc/56/67/73/490566773.db2.gz XDSIUTJJRZQHIL-UHFFFAOYSA-N 1 2 201.273 2.698 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(F)cc2F)o1 ZINC000227083949 491054799 /nfs/dbraw/zinc/05/47/99/491054799.db2.gz ZQSNYVXSNUCXRO-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CC[C@H]1C1CC1 ZINC000309166667 491091476 /nfs/dbraw/zinc/09/14/76/491091476.db2.gz JHCHFYRDGNALJP-AAEUAGOBSA-N 1 2 202.301 2.991 20 0 BFADLO COc1ccc[nH+]c1N1CCCC(F)(F)CC1 ZINC000624521310 491120843 /nfs/dbraw/zinc/12/08/43/491120843.db2.gz BXZSGNYUPGMPTB-UHFFFAOYSA-N 1 2 242.269 2.716 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(C)cn1)C2 ZINC000335291608 491122452 /nfs/dbraw/zinc/12/24/52/491122452.db2.gz LKKTYTBFORHQIZ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(C)cn1)C2 ZINC000335291608 491122453 /nfs/dbraw/zinc/12/24/53/491122453.db2.gz LKKTYTBFORHQIZ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CS[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000336203984 491123920 /nfs/dbraw/zinc/12/39/20/491123920.db2.gz DSUKTHGYMBZAKF-JTQLQIEISA-N 1 2 247.367 2.515 20 0 BFADLO c1nc(C[NH2+][C@@H]2CCCc3cccnc32)cs1 ZINC000091661668 491131442 /nfs/dbraw/zinc/13/14/42/491131442.db2.gz VXVLXOXAYCSULI-GFCCVEGCSA-N 1 2 245.351 2.705 20 0 BFADLO CC[C@@H]1CC[C@H]1Nc1ccc(OC)c[nH+]1 ZINC000309248907 491146682 /nfs/dbraw/zinc/14/66/82/491146682.db2.gz ZSLISCKXEVGOAE-MWLCHTKSSA-N 1 2 206.289 2.691 20 0 BFADLO C[C@@H](CNc1cccc[nH+]1)c1ccncc1 ZINC000309357690 491147398 /nfs/dbraw/zinc/14/73/98/491147398.db2.gz OCTNVQICWOZTSV-NSHDSACASA-N 1 2 213.284 2.692 20 0 BFADLO Cc1csc([C@H](C)N[C@@H](C)c2[nH]cc[nH+]2)n1 ZINC000309393037 491147917 /nfs/dbraw/zinc/14/79/17/491147917.db2.gz GEPZPJHJZHGLJH-IUCAKERBSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)n1 ZINC000309393037 491147918 /nfs/dbraw/zinc/14/79/18/491147918.db2.gz GEPZPJHJZHGLJH-IUCAKERBSA-N 1 2 236.344 2.586 20 0 BFADLO c1c[nH+]c(CNc2ccc(C3CC3)cc2)[nH]1 ZINC000309708692 491155451 /nfs/dbraw/zinc/15/54/51/491155451.db2.gz WFUWEJUVGVTGKC-UHFFFAOYSA-N 1 2 213.284 2.899 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000309832956 491156865 /nfs/dbraw/zinc/15/68/65/491156865.db2.gz ZBWZJGWQPSXDBR-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000494219925 534033200 /nfs/dbraw/zinc/03/32/00/534033200.db2.gz MWZZKEQGHBPPSM-NEPJUHHUSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000494219925 534033205 /nfs/dbraw/zinc/03/32/05/534033205.db2.gz MWZZKEQGHBPPSM-NEPJUHHUSA-N 1 2 247.329 2.923 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1ccc(C)cc1 ZINC000335974667 536086452 /nfs/dbraw/zinc/08/64/52/536086452.db2.gz SSYRBEWAJIVWLR-UHFFFAOYSA-N 1 2 240.306 2.627 20 0 BFADLO CCc1nc(N2[C@H](C)CC[C@H]2C)cc(C)[nH+]1 ZINC000342541688 536126095 /nfs/dbraw/zinc/12/60/95/536126095.db2.gz FBQUZKRTFUIJRD-GHMZBOCLSA-N 1 2 219.332 2.725 20 0 BFADLO CC(C)c1nc(N(C)C2CCCC2)cc[nH+]1 ZINC000171986972 534905524 /nfs/dbraw/zinc/90/55/24/534905524.db2.gz HRNINCDKWSFMDV-UHFFFAOYSA-N 1 2 219.332 2.979 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H]2CF)cc[nH+]1 ZINC000336127706 534908603 /nfs/dbraw/zinc/90/86/03/534908603.db2.gz KIWPLBGZUDKMAA-SNVBAGLBSA-N 1 2 223.295 2.538 20 0 BFADLO CCC1(NC(=O)/C=C\c2[nH]cc[nH+]2)CCCCC1 ZINC000493612871 527771969 /nfs/dbraw/zinc/77/19/69/527771969.db2.gz BUCOSWURRNVYSS-SREVYHEPSA-N 1 2 247.342 2.652 20 0 BFADLO CCC[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C1CCC1 ZINC000493634089 528168084 /nfs/dbraw/zinc/16/80/84/528168084.db2.gz YIANBGCWASKTRQ-KRZKBDHCSA-N 1 2 247.342 2.508 20 0 BFADLO CCCCC[N@@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000502748770 528183728 /nfs/dbraw/zinc/18/37/28/528183728.db2.gz PRMMAXKWZALAGH-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCC[N@H+]1CC(=O)N[C@@H]1C1CCCCC1 ZINC000502748770 528183736 /nfs/dbraw/zinc/18/37/36/528183736.db2.gz PRMMAXKWZALAGH-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCC[N@@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000502748771 528185120 /nfs/dbraw/zinc/18/51/20/528185120.db2.gz PRMMAXKWZALAGH-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCC[N@H+]1CC(=O)N[C@H]1C1CCCCC1 ZINC000502748771 528185125 /nfs/dbraw/zinc/18/51/25/528185125.db2.gz PRMMAXKWZALAGH-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)CC ZINC000492758326 528297614 /nfs/dbraw/zinc/29/76/14/528297614.db2.gz AAAUUHWONVZHJO-KRZKBDHCSA-N 1 2 249.358 2.850 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493196423 528364553 /nfs/dbraw/zinc/36/45/53/528364553.db2.gz XFGPEDYWIYJZFS-GUOLPTJISA-N 1 2 247.342 2.604 20 0 BFADLO CCC(CC)CN(CC)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493730874 528737678 /nfs/dbraw/zinc/73/76/78/528737678.db2.gz XARVYUCVZQTBQG-BQYQJAHWSA-N 1 2 249.358 2.708 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492494638 528883402 /nfs/dbraw/zinc/88/34/02/528883402.db2.gz RLZSYWFITJQFLJ-IDVQTMNDSA-N 1 2 249.358 2.563 20 0 BFADLO CCCC[C@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493729866 528920595 /nfs/dbraw/zinc/92/05/95/528920595.db2.gz WSQLRINHJNQCCA-BCPZQOPPSA-N 1 2 249.358 2.898 20 0 BFADLO CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493770202 528967505 /nfs/dbraw/zinc/96/75/05/528967505.db2.gz IXJVQXHJACQPGK-QDZRJHCZSA-N 1 2 249.358 2.754 20 0 BFADLO CC(C)(C)c1nc(NC[C@@]2(C)CCCO2)cc[nH+]1 ZINC000152527168 534920769 /nfs/dbraw/zinc/92/07/69/534920769.db2.gz XVWZWCUNKKJZOJ-CQSZACIVSA-N 1 2 249.358 2.755 20 0 BFADLO CC(C)(C)c1ncc(CNc2c[nH]c[nH+]2)s1 ZINC000393744679 582921667 /nfs/dbraw/zinc/92/16/67/582921667.db2.gz KNNPDZOZBUPDIU-UHFFFAOYSA-N 1 2 236.344 2.776 20 0 BFADLO CCCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336145107 535095400 /nfs/dbraw/zinc/09/54/00/535095400.db2.gz NOUXESJJGOVYMV-UHFFFAOYSA-N 1 2 221.304 2.538 20 0 BFADLO CC(C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348835293 535168196 /nfs/dbraw/zinc/16/81/96/535168196.db2.gz SXRLMYAZRRJSCN-GFCCVEGCSA-N 1 2 244.342 2.783 20 0 BFADLO CC(C)COc1cccc(C[NH+]2CCOCC2)c1 ZINC000342685996 535239985 /nfs/dbraw/zinc/23/99/85/535239985.db2.gz XRQQNSFIVIGPIZ-UHFFFAOYSA-N 1 2 249.354 2.554 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccc(CC)nc2)CCO1 ZINC000347866634 535741202 /nfs/dbraw/zinc/74/12/02/535741202.db2.gz OFNAZUCYFUBOMB-HNNXBMFYSA-N 1 2 248.370 2.645 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccc(CC)nc2)CCO1 ZINC000347866634 535741208 /nfs/dbraw/zinc/74/12/08/535741208.db2.gz OFNAZUCYFUBOMB-HNNXBMFYSA-N 1 2 248.370 2.645 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000347948976 535824976 /nfs/dbraw/zinc/82/49/76/535824976.db2.gz AHKJVRWLTDFRAK-BXUZGUMPSA-N 1 2 242.326 2.868 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000218081997 535830296 /nfs/dbraw/zinc/83/02/96/535830296.db2.gz NBAPXYFXUTXKCB-QWRGUYRKSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@H]1CC[C@@H](C)N1c1cc(C)[nH+]cn1 ZINC000335946305 536093545 /nfs/dbraw/zinc/09/35/45/536093545.db2.gz UZRYKMGZNQXQRV-MNOVXSKESA-N 1 2 205.305 2.552 20 0 BFADLO CCc1cc(N[C@@H](C)CSC)nc(CC)[nH+]1 ZINC000892603746 582926786 /nfs/dbraw/zinc/92/67/86/582926786.db2.gz SOYZPOXHMAGUBH-VIFPVBQESA-N 1 2 239.388 2.765 20 0 BFADLO CN(Cc1cscn1)c1[nH]c2ccccc2[nH+]1 ZINC000342709900 536485791 /nfs/dbraw/zinc/48/57/91/536485791.db2.gz NTIAHRLXSXLJHG-UHFFFAOYSA-N 1 2 244.323 2.656 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000893952525 583261482 /nfs/dbraw/zinc/26/14/82/583261482.db2.gz KCOVUOMYZZWPTO-ZJUUUORDSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)o1 ZINC000893952525 583261486 /nfs/dbraw/zinc/26/14/86/583261486.db2.gz KCOVUOMYZZWPTO-ZJUUUORDSA-N 1 2 241.356 2.611 20 0 BFADLO CC(C)c1c[nH]c(CN(CC(F)F)C2CC2)[nH+]1 ZINC000894014738 583275439 /nfs/dbraw/zinc/27/54/39/583275439.db2.gz QGGXJKCRQDDIDR-UHFFFAOYSA-N 1 2 243.301 2.763 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1C ZINC000894035473 583279607 /nfs/dbraw/zinc/27/96/07/583279607.db2.gz YWYNNPAXNWMXDL-NXEZZACHSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)CC[C@H]2C)c1C ZINC000894035473 583279610 /nfs/dbraw/zinc/27/96/10/583279610.db2.gz YWYNNPAXNWMXDL-NXEZZACHSA-N 1 2 221.348 2.647 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cn1nc(C)sc1=S ZINC000111165377 588725483 /nfs/dbraw/zinc/72/54/83/588725483.db2.gz TZOJVCKTPIEQOM-MRVPVSSYSA-N 1 2 245.417 2.918 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cn1nc(C)sc1=S ZINC000111165377 588725484 /nfs/dbraw/zinc/72/54/84/588725484.db2.gz TZOJVCKTPIEQOM-MRVPVSSYSA-N 1 2 245.417 2.918 20 0 BFADLO CC1(CO[NH+]=C(N)c2cccc(F)c2)CCC1 ZINC000853662495 588753802 /nfs/dbraw/zinc/75/38/02/588753802.db2.gz HPVUQKNLOMDCRT-UHFFFAOYSA-N 1 2 236.290 2.862 20 0 BFADLO COc1cccc(C(N)=[NH+]OCCC2CCC2)c1 ZINC000853674284 588754834 /nfs/dbraw/zinc/75/48/34/588754834.db2.gz CAGWWEUYVWVAFS-UHFFFAOYSA-N 1 2 248.326 2.732 20 0 BFADLO c1cc(OCCC2SCCS2)cc[nH+]1 ZINC000853690625 588756778 /nfs/dbraw/zinc/75/67/78/588756778.db2.gz HWNAKHVGXBVNLY-UHFFFAOYSA-N 1 2 227.354 2.657 20 0 BFADLO C[C@@H](NC(=O)/C=C/C1CCCCC1)c1[nH]cc[nH+]1 ZINC000854595179 588796435 /nfs/dbraw/zinc/79/64/35/588796435.db2.gz VDMYIBICAFMSDX-WSKFYRRCSA-N 1 2 247.342 2.723 20 0 BFADLO C[C@@H](NC(=O)C=CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000854595179 588796436 /nfs/dbraw/zinc/79/64/36/588796436.db2.gz VDMYIBICAFMSDX-WSKFYRRCSA-N 1 2 247.342 2.723 20 0 BFADLO FC(F)(F)c1cncc(C[N@H+]2CC=CCC2)c1 ZINC000812832641 582567730 /nfs/dbraw/zinc/56/77/30/582567730.db2.gz WWXCYWDJTUEJQK-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO FC(F)(F)c1cncc(C[N@@H+]2CC=CCC2)c1 ZINC000812832641 582567731 /nfs/dbraw/zinc/56/77/31/582567731.db2.gz WWXCYWDJTUEJQK-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO Cc1occc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000070890714 582670765 /nfs/dbraw/zinc/67/07/65/582670765.db2.gz ZVSLGOXSFVXKEU-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO CCc1cc(NCc2ccncc2)nc(CC)[nH+]1 ZINC000891408967 582679440 /nfs/dbraw/zinc/67/94/40/582679440.db2.gz MDECXQDMOYPODP-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO CCc1cc(NCc2cccnc2)nc(CC)[nH+]1 ZINC000891409958 582680326 /nfs/dbraw/zinc/68/03/26/582680326.db2.gz SQWOPRNQDCNYRY-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO CCNc1cc(Br)cc(C)[nH+]1 ZINC000891419326 582681579 /nfs/dbraw/zinc/68/15/79/582681579.db2.gz WAHCCXFCKXQYOF-UHFFFAOYSA-N 1 2 215.094 2.584 20 0 BFADLO CCC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891668725 582707934 /nfs/dbraw/zinc/70/79/34/582707934.db2.gz SMLJDDIJKKHVEJ-VHSXEESVSA-N 1 2 208.305 2.735 20 0 BFADLO CCc1cc(NCC[C@H]2CCCO2)nc(CC)[nH+]1 ZINC000891676999 582709495 /nfs/dbraw/zinc/70/94/95/582709495.db2.gz DGAKUCSWNIICSY-GFCCVEGCSA-N 1 2 249.358 2.582 20 0 BFADLO Cc1occc1CN(C)Cc1[nH+]ccn1C1CC1 ZINC000891794355 582722142 /nfs/dbraw/zinc/72/21/42/582722142.db2.gz ZCNBKORCJLPTKJ-UHFFFAOYSA-N 1 2 245.326 2.751 20 0 BFADLO Cc1nc(CNc2cccc([C@H](C)O)[nH+]2)cs1 ZINC000891881575 582734596 /nfs/dbraw/zinc/73/45/96/582734596.db2.gz HNJJCADNXJFZQS-QMMMGPOBSA-N 1 2 249.339 2.512 20 0 BFADLO COc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000891949153 582743733 /nfs/dbraw/zinc/74/37/33/582743733.db2.gz MMURQNGCMUWKFW-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO Cc1cc(N2CC[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000891990843 582754741 /nfs/dbraw/zinc/75/47/41/582754741.db2.gz GHFYASYFGQBLTN-SNVBAGLBSA-N 1 2 217.316 2.651 20 0 BFADLO Cc1cc(N2CC[C@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000892254593 582814050 /nfs/dbraw/zinc/81/40/50/582814050.db2.gz QWFIGDLRNBAUTC-JTQLQIEISA-N 1 2 231.343 2.899 20 0 BFADLO Cc1cc(N(C)CC(F)F)nc(C2CCC2)[nH+]1 ZINC000892326308 582847172 /nfs/dbraw/zinc/84/71/72/582847172.db2.gz YGAXKSBBISGUNF-UHFFFAOYSA-N 1 2 241.285 2.754 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2ccco2)o1 ZINC000892429888 582885998 /nfs/dbraw/zinc/88/59/98/582885998.db2.gz TUHJIHKTBQEXFP-UHFFFAOYSA-N 1 2 221.256 2.561 20 0 BFADLO Cc1cn2ccc(NC(=O)C=C3CCC3)cc2[nH+]1 ZINC000856288258 588867526 /nfs/dbraw/zinc/86/75/26/588867526.db2.gz PRKDKYZJMBWZHI-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO C[C@]1(Br)C[C@H]1CNc1cccc[nH+]1 ZINC000892638032 582935995 /nfs/dbraw/zinc/93/59/95/582935995.db2.gz VIZODVJILWUAEO-WPRPVWTQSA-N 1 2 241.132 2.667 20 0 BFADLO C[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000783287977 582955232 /nfs/dbraw/zinc/95/52/32/582955232.db2.gz SQXYNKGTSSXBQJ-CMPLNLGQSA-N 1 2 232.327 2.726 20 0 BFADLO C/C(=C/C(=O)N[C@H](C)c1[nH+]ccn1C)C(C)(C)C ZINC000856278126 588866527 /nfs/dbraw/zinc/86/65/27/588866527.db2.gz XWMXCGQREZQSFR-DWOQACPDSA-N 1 2 249.358 2.590 20 0 BFADLO CC(C)C1(CNc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000892871391 583000479 /nfs/dbraw/zinc/00/04/79/583000479.db2.gz WWVLNXOSYOCJDR-NSHDSACASA-N 1 2 234.343 2.983 20 0 BFADLO CCc1cc(NCc2ncoc2C)nc(CC)[nH+]1 ZINC000893028830 583032704 /nfs/dbraw/zinc/03/27/04/583032704.db2.gz OQPLSGYEXNXDJG-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO Cc1cc(NC(C)(C)[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893037276 583035154 /nfs/dbraw/zinc/03/51/54/583035154.db2.gz JDQYJAANMZZHCG-JTQLQIEISA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)(C)[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893146873 583057214 /nfs/dbraw/zinc/05/72/14/583057214.db2.gz PRHDZIWORQIHNU-LLVKDONJSA-N 1 2 244.342 2.602 20 0 BFADLO CCOC[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893268822 583081202 /nfs/dbraw/zinc/08/12/02/583081202.db2.gz IPWKKRMEIZZIFM-NSHDSACASA-N 1 2 249.358 2.889 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1cc(F)cc(F)c1 ZINC000397889086 583111435 /nfs/dbraw/zinc/11/14/35/583111435.db2.gz LAQCLYXCKRUBTH-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1cc(F)cc(F)c1 ZINC000397889084 583111712 /nfs/dbraw/zinc/11/17/12/583111712.db2.gz LAQCLYXCKRUBTH-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO COc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000397980248 583114935 /nfs/dbraw/zinc/11/49/35/583114935.db2.gz DZHBGXOULLTLHU-LBPRGKRZSA-N 1 2 241.281 2.973 20 0 BFADLO CC(C)n1nccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398065653 583119168 /nfs/dbraw/zinc/11/91/68/583119168.db2.gz CAVICFMYPVWRKC-LLVKDONJSA-N 1 2 243.301 2.741 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000893368880 583128894 /nfs/dbraw/zinc/12/88/94/583128894.db2.gz NTKJXXAASQAQRT-GMTAPVOTSA-N 1 2 220.316 2.735 20 0 BFADLO CC(C)=CCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893453527 583145934 /nfs/dbraw/zinc/14/59/34/583145934.db2.gz MDKDUJAYUBTAEH-LLVKDONJSA-N 1 2 220.316 2.903 20 0 BFADLO C[C@H](CC(=O)OC[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC000893467464 583148145 /nfs/dbraw/zinc/14/81/45/583148145.db2.gz TWLIHKDGTBXXMG-NEPJUHHUSA-N 1 2 248.326 2.568 20 0 BFADLO CCC(C)(C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893483915 583152285 /nfs/dbraw/zinc/15/22/85/583152285.db2.gz IWGWREIZZDLRME-SNVBAGLBSA-N 1 2 222.332 2.983 20 0 BFADLO CCCCCC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893518297 583155721 /nfs/dbraw/zinc/15/57/21/583155721.db2.gz WEWDXBWSWZEWGY-NSHDSACASA-N 1 2 236.315 2.760 20 0 BFADLO Cc1cscc1CNc1cc(N(C)C)nc[nH+]1 ZINC000893542174 583158833 /nfs/dbraw/zinc/15/88/33/583158833.db2.gz FIYZZMAWCQVSDI-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cscc1CNc1cc(N(C)C)[nH+]cn1 ZINC000893542174 583158835 /nfs/dbraw/zinc/15/88/35/583158835.db2.gz FIYZZMAWCQVSDI-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CCc1cc(N2CCC[C@@H](F)C2)nc(CC)[nH+]1 ZINC000893676860 583195470 /nfs/dbraw/zinc/19/54/70/583195470.db2.gz PBYGMEPTJLAWKZ-SNVBAGLBSA-N 1 2 237.322 2.540 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C\c2cccc(F)c2)CCO1 ZINC000893916011 583245811 /nfs/dbraw/zinc/24/58/11/583245811.db2.gz CAAXJQMJUHTJON-KTLBGCOUSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CCO1 ZINC000893916011 583245812 /nfs/dbraw/zinc/24/58/12/583245812.db2.gz CAAXJQMJUHTJON-KTLBGCOUSA-N 1 2 235.302 2.560 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000893961280 583256472 /nfs/dbraw/zinc/25/64/72/583256472.db2.gz DOXVYULSNVKFQW-GFCCVEGCSA-N 1 2 221.348 2.649 20 0 BFADLO F[C@H]1CCN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000894022795 583274305 /nfs/dbraw/zinc/27/43/05/583274305.db2.gz DWXNOBSNWDMBIB-ZDUSSCGKSA-N 1 2 243.285 2.692 20 0 BFADLO c1[nH]c(CNc2ccccc2OCC2CC2)c[nH+]1 ZINC000894111554 583308928 /nfs/dbraw/zinc/30/89/28/583308928.db2.gz PXAYKQLWKBVQCP-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO c1[nH]cc(CNc2ccccc2OCC2CC2)[nH+]1 ZINC000894111554 583308929 /nfs/dbraw/zinc/30/89/29/583308929.db2.gz PXAYKQLWKBVQCP-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO CCCOc1cc(F)ccc1NCc1c[nH+]c[nH]1 ZINC000894113273 583309519 /nfs/dbraw/zinc/30/95/19/583309519.db2.gz JFFIJVMQUBXHGL-UHFFFAOYSA-N 1 2 249.289 2.950 20 0 BFADLO CCCOc1cc(F)ccc1NCc1c[nH]c[nH+]1 ZINC000894113273 583309520 /nfs/dbraw/zinc/30/95/20/583309520.db2.gz JFFIJVMQUBXHGL-UHFFFAOYSA-N 1 2 249.289 2.950 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000894192862 583334003 /nfs/dbraw/zinc/33/40/03/583334003.db2.gz IFXFOBQXZWGBSG-JOYOIKCWSA-N 1 2 246.310 2.989 20 0 BFADLO C[C@@H]1CCC[C@@H](C2C[NH+](Cc3cocn3)C2)C1 ZINC000877763555 583346998 /nfs/dbraw/zinc/34/69/98/583346998.db2.gz BMWKDUHNEVTBHM-VXGBXAGGSA-N 1 2 234.343 2.933 20 0 BFADLO C[C@@H]1CCC[C@H](C2C[NH+](Cc3cocn3)C2)C1 ZINC000877763552 583347120 /nfs/dbraw/zinc/34/71/20/583347120.db2.gz BMWKDUHNEVTBHM-NEPJUHHUSA-N 1 2 234.343 2.933 20 0 BFADLO CC(C)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000726596831 583361823 /nfs/dbraw/zinc/36/18/23/583361823.db2.gz VQCYWXFMMNCGOP-UHFFFAOYSA-N 1 2 216.284 2.719 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000878165936 583364667 /nfs/dbraw/zinc/36/46/67/583364667.db2.gz HTPCIFUHVHYNJL-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000878165936 583364670 /nfs/dbraw/zinc/36/46/70/583364670.db2.gz HTPCIFUHVHYNJL-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148705450 583381195 /nfs/dbraw/zinc/38/11/95/583381195.db2.gz FIPRFBOMWQJPBM-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO Cc1ncoc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000894285097 583410792 /nfs/dbraw/zinc/41/07/92/583410792.db2.gz VGCNUOFBRYHJLU-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ocnc2C)s1 ZINC000894322635 583422370 /nfs/dbraw/zinc/42/23/70/583422370.db2.gz AMPLWECNLJHTHZ-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO CC1(C)CN(Cc2c[nH+]c[nH]2)c2ccccc2O1 ZINC000894471102 583469074 /nfs/dbraw/zinc/46/90/74/583469074.db2.gz QOPIOFWYVFQWMG-UHFFFAOYSA-N 1 2 243.310 2.587 20 0 BFADLO CC1(C)CN(Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000894471102 583469076 /nfs/dbraw/zinc/46/90/76/583469076.db2.gz QOPIOFWYVFQWMG-UHFFFAOYSA-N 1 2 243.310 2.587 20 0 BFADLO COc1cc(C)cc(NCc2c[nH+]c[nH]2)c1C ZINC000894581360 583488461 /nfs/dbraw/zinc/48/84/61/583488461.db2.gz PTIUOTMSEUMVCL-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1cc(C)cc(NCc2c[nH]c[nH+]2)c1C ZINC000894581360 583488464 /nfs/dbraw/zinc/48/84/64/583488464.db2.gz PTIUOTMSEUMVCL-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO CC(C)c1c[nH]c(C[NH+]2CC(C(C)C)C2)n1 ZINC000894596617 583492783 /nfs/dbraw/zinc/49/27/83/583492783.db2.gz CDDZRMDWGRCNAR-UHFFFAOYSA-N 1 2 221.348 2.621 20 0 BFADLO CC(C)c1c[nH]c(CN2CCC(F)(F)CC2)[nH+]1 ZINC000894628305 583497673 /nfs/dbraw/zinc/49/76/73/583497673.db2.gz FBMGOPXTZITHFI-UHFFFAOYSA-N 1 2 243.301 2.764 20 0 BFADLO Cc1cnc(Cl)c(C[NH+]2CC3(CC3)C2)c1 ZINC000894663572 583501842 /nfs/dbraw/zinc/50/18/42/583501842.db2.gz MMCBPDTXWWEQTB-UHFFFAOYSA-N 1 2 222.719 2.639 20 0 BFADLO Cc1ncoc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000894779615 583519566 /nfs/dbraw/zinc/51/95/66/583519566.db2.gz KAOJQUCIQHZIOX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncoc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000894779615 583519568 /nfs/dbraw/zinc/51/95/68/583519568.db2.gz KAOJQUCIQHZIOX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCC1C[NH+](Cc2nnc(C(C)C)s2)C1 ZINC000894812494 583523709 /nfs/dbraw/zinc/52/37/09/583523709.db2.gz BXBNUOPSOJIZHF-UHFFFAOYSA-N 1 2 225.361 2.503 20 0 BFADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)[C@H]1C ZINC000894860481 583534136 /nfs/dbraw/zinc/53/41/36/583534136.db2.gz NUOUDUQWZWYBPV-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)[C@H]1C ZINC000894860481 583534138 /nfs/dbraw/zinc/53/41/38/583534138.db2.gz NUOUDUQWZWYBPV-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H]2CCCC23CC3)[nH+]1 ZINC000894862113 583535327 /nfs/dbraw/zinc/53/53/27/583535327.db2.gz DJMMXHCPFGULBL-PWSUYJOCSA-N 1 2 232.327 2.880 20 0 BFADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1cnc[nH]1 ZINC000894871775 583540514 /nfs/dbraw/zinc/54/05/14/583540514.db2.gz CLCACPYQVMGFSI-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO CCc1cc(NCc2conc2C)nc(CC)[nH+]1 ZINC000894873880 583540850 /nfs/dbraw/zinc/54/08/50/583540850.db2.gz UDEVBCRLUGOSIU-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO Cc1nc(C[NH+]2CC(CC(F)F)C2)sc1C ZINC000895013631 583567959 /nfs/dbraw/zinc/56/79/59/583567959.db2.gz WFAQDRQAGGQDRZ-UHFFFAOYSA-N 1 2 246.326 2.847 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@]2(C)CC2(C)C)[nH+]1 ZINC000895134075 583601654 /nfs/dbraw/zinc/60/16/54/583601654.db2.gz UNEWHTGOWVHOQC-IINYFYTJSA-N 1 2 234.343 2.983 20 0 BFADLO CCc1cc[nH+]cc1NC1CC(SC)C1 ZINC000895166053 583611488 /nfs/dbraw/zinc/61/14/88/583611488.db2.gz PSYGMVNDYMBWAC-UHFFFAOYSA-N 1 2 222.357 2.950 20 0 BFADLO CC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000335329905 583612998 /nfs/dbraw/zinc/61/29/98/583612998.db2.gz WZGTYIMANAAUPH-NSHDSACASA-N 1 2 247.342 2.727 20 0 BFADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccn1 ZINC000727463595 583655293 /nfs/dbraw/zinc/65/52/93/583655293.db2.gz KCFUHMYIROEDHR-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1cccnc1 ZINC000727464477 583656041 /nfs/dbraw/zinc/65/60/41/583656041.db2.gz RIPJWGHZRPZFES-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO CCCN(C)c1ccccc1NCc1c[nH+]c[nH]1 ZINC000895411999 583666450 /nfs/dbraw/zinc/66/64/50/583666450.db2.gz SETMEGIJUSRQQJ-UHFFFAOYSA-N 1 2 244.342 2.868 20 0 BFADLO CCCN(C)c1ccccc1NCc1c[nH]c[nH+]1 ZINC000895411999 583666452 /nfs/dbraw/zinc/66/64/52/583666452.db2.gz SETMEGIJUSRQQJ-UHFFFAOYSA-N 1 2 244.342 2.868 20 0 BFADLO CCCSc1cccc(NCc2c[nH+]c[nH]2)n1 ZINC000895417142 583667181 /nfs/dbraw/zinc/66/71/81/583667181.db2.gz QQULQYAVAGUCJW-UHFFFAOYSA-N 1 2 248.355 2.919 20 0 BFADLO CCCSc1cccc(NCc2c[nH]c[nH+]2)n1 ZINC000895417142 583667182 /nfs/dbraw/zinc/66/71/82/583667182.db2.gz QQULQYAVAGUCJW-UHFFFAOYSA-N 1 2 248.355 2.919 20 0 BFADLO CO[C@@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCCC1 ZINC000895430567 583669763 /nfs/dbraw/zinc/66/97/63/583669763.db2.gz GRWWJCQBAXCQOM-QWRGUYRKSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@H](C[N@H+]1CC[C@H]1C(F)F)C1CCCC1 ZINC000895430567 583669765 /nfs/dbraw/zinc/66/97/65/583669765.db2.gz GRWWJCQBAXCQOM-QWRGUYRKSA-N 1 2 233.302 2.531 20 0 BFADLO CSC1(C[N@@H+]2CC[C@H]2C(F)F)CCC1 ZINC000895431011 583670009 /nfs/dbraw/zinc/67/00/09/583670009.db2.gz IZZSQWCQCPBISN-QMMMGPOBSA-N 1 2 221.316 2.612 20 0 BFADLO CSC1(C[N@H+]2CC[C@H]2C(F)F)CCC1 ZINC000895431011 583670010 /nfs/dbraw/zinc/67/00/10/583670010.db2.gz IZZSQWCQCPBISN-QMMMGPOBSA-N 1 2 221.316 2.612 20 0 BFADLO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H]2C(F)F)CCO1 ZINC000895431419 583670051 /nfs/dbraw/zinc/67/00/51/583670051.db2.gz MWEXLYGIFLJLGC-AXFHLTTASA-N 1 2 233.302 2.531 20 0 BFADLO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H]2C(F)F)CCO1 ZINC000895431419 583670052 /nfs/dbraw/zinc/67/00/52/583670052.db2.gz MWEXLYGIFLJLGC-AXFHLTTASA-N 1 2 233.302 2.531 20 0 BFADLO Cc1ccc(CC[N@@H+]2CC[C@H]2C(F)F)cc1 ZINC000895432037 583670645 /nfs/dbraw/zinc/67/06/45/583670645.db2.gz SOQMCJAZLRFDDL-LBPRGKRZSA-N 1 2 225.282 2.877 20 0 BFADLO Cc1ccc(CC[N@H+]2CC[C@H]2C(F)F)cc1 ZINC000895432037 583670647 /nfs/dbraw/zinc/67/06/47/583670647.db2.gz SOQMCJAZLRFDDL-LBPRGKRZSA-N 1 2 225.282 2.877 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000895458175 583676963 /nfs/dbraw/zinc/67/69/63/583676963.db2.gz UXQWNYWFBAZPDB-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c1C ZINC000895536839 583687446 /nfs/dbraw/zinc/68/74/46/583687446.db2.gz KHDDCYAXGGRBQN-KPQFEUGASA-N 1 2 217.316 2.550 20 0 BFADLO Cc1cc(NCC[C@H]2CCOC2)c[nH+]c1C ZINC000895645318 583700523 /nfs/dbraw/zinc/70/05/23/583700523.db2.gz OVHSOMXFHILMGV-LBPRGKRZSA-N 1 2 220.316 2.537 20 0 BFADLO Cc1cc(NCCC[C@@H]2CCO2)c[nH+]c1C ZINC000895645073 583700552 /nfs/dbraw/zinc/70/05/52/583700552.db2.gz LSOUXOAJTKWVNW-CYBMUJFWSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1cc(NCC[C@@H]2CCOC2)c[nH+]c1C ZINC000895645317 583700806 /nfs/dbraw/zinc/70/08/06/583700806.db2.gz OVHSOMXFHILMGV-GFCCVEGCSA-N 1 2 220.316 2.537 20 0 BFADLO Clc1ccc2c(n1)[C@H]([NH2+]Cc1ccon1)CC2 ZINC000857908098 588923125 /nfs/dbraw/zinc/92/31/25/588923125.db2.gz WSEAQYMSZFJVAX-SNVBAGLBSA-N 1 2 249.701 2.500 20 0 BFADLO COC1CCC(C[N@@H+]2CC[C@@H]2C(F)F)CC1 ZINC000895727751 583713460 /nfs/dbraw/zinc/71/34/60/583713460.db2.gz PGYIGYMDLRGZQD-VQXHTEKXSA-N 1 2 233.302 2.531 20 0 BFADLO COC1CCC(C[N@H+]2CC[C@@H]2C(F)F)CC1 ZINC000895727751 583713461 /nfs/dbraw/zinc/71/34/61/583713461.db2.gz PGYIGYMDLRGZQD-VQXHTEKXSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc(N[C@H](c2ccccn2)C2CC2)nc[nH+]1 ZINC000895793112 583728951 /nfs/dbraw/zinc/72/89/51/583728951.db2.gz JKMIVFQDNUQJSJ-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO CC(C)OC1C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000895954809 583752282 /nfs/dbraw/zinc/75/22/82/583752282.db2.gz HOUGJCPUHRHWRE-UHFFFAOYSA-N 1 2 244.338 2.777 20 0 BFADLO C[NH+](C)C1(c2nc(C3CCCCC3)no2)CC1 ZINC000895970988 583756318 /nfs/dbraw/zinc/75/63/18/583756318.db2.gz IJNIOSZPGBLAFZ-UHFFFAOYSA-N 1 2 235.331 2.668 20 0 BFADLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)nc1 ZINC000896021623 583764060 /nfs/dbraw/zinc/76/40/60/583764060.db2.gz MDASAOYFTZTIRF-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979986 588927462 /nfs/dbraw/zinc/92/74/62/588927462.db2.gz HQWLBGYOWYUTHN-ZYHUDNBSSA-N 1 2 249.358 2.516 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]1C(F)(F)F ZINC000896088252 583769183 /nfs/dbraw/zinc/76/91/83/583769183.db2.gz QQTLOHLUFHUYFW-JGVFFNPUSA-N 1 2 246.232 2.701 20 0 BFADLO CCc1cc(NC[C@@H]2C[C@H]2C(F)(F)F)nc[nH+]1 ZINC000896087154 583769496 /nfs/dbraw/zinc/76/94/96/583769496.db2.gz HGVFUKMUPPMZJQ-IONNQARKSA-N 1 2 245.248 2.649 20 0 BFADLO CC(C)CC(C)(C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981725 588928011 /nfs/dbraw/zinc/92/80/11/588928011.db2.gz AWBICPUJXJZEAK-NSHDSACASA-N 1 2 249.358 2.516 20 0 BFADLO c1ccc(NC[C@@H]2CCCC3(CCC3)O2)[nH+]c1 ZINC000896171127 583777772 /nfs/dbraw/zinc/77/77/72/583777772.db2.gz RUDNTYMMUGMDFB-LBPRGKRZSA-N 1 2 232.327 2.985 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cn1nc(C)sc1=S ZINC000727824773 583779468 /nfs/dbraw/zinc/77/94/68/583779468.db2.gz RJZGMJNZSWGRQO-VIFPVBQESA-N 1 2 243.401 2.814 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cn1nc(C)sc1=S ZINC000727824773 583779470 /nfs/dbraw/zinc/77/94/70/583779470.db2.gz RJZGMJNZSWGRQO-VIFPVBQESA-N 1 2 243.401 2.814 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984510 588928843 /nfs/dbraw/zinc/92/88/43/588928843.db2.gz JDOPNSDSZOUEDR-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1nc(N[C@H]2CCS[C@H](C)C2)cc[nH+]1 ZINC000896247506 583785140 /nfs/dbraw/zinc/78/51/40/583785140.db2.gz QYPKJNBTPUTHFV-ZJUUUORDSA-N 1 2 237.372 2.735 20 0 BFADLO C[NH+](C)C1(c2nc(CCC(C)(C)C)no2)CC1 ZINC000896281997 583788721 /nfs/dbraw/zinc/78/87/21/583788721.db2.gz SALCNCXTXPPUGF-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999150 588930529 /nfs/dbraw/zinc/93/05/29/588930529.db2.gz QLIZTRZJUVTSTQ-SNVBAGLBSA-N 1 2 247.342 2.585 20 0 BFADLO CC/C=C(/C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997255 588930696 /nfs/dbraw/zinc/93/06/96/588930696.db2.gz LZSCRGVCHQJCLD-WZUFQYTHSA-N 1 2 245.326 2.505 20 0 BFADLO c1ccc(N2CCC[C@@H](C3CCOCC3)C2)[nH+]c1 ZINC000896585946 583815380 /nfs/dbraw/zinc/81/53/80/583815380.db2.gz GCGWAVKWYYVEJC-CQSZACIVSA-N 1 2 246.354 2.725 20 0 BFADLO Cc1[nH]c(CNC(=O)CC2CCCCC2)[nH+]c1C ZINC000896929907 583860635 /nfs/dbraw/zinc/86/06/35/583860635.db2.gz UVISNPBXEDBZNB-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCC[C@H]3CCO3)ccc2O1 ZINC000897114818 583882025 /nfs/dbraw/zinc/88/20/25/583882025.db2.gz WJGCZQYNOQDZLW-FZMZJTMJSA-N 1 2 247.338 2.991 20 0 BFADLO CCc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)cc[nH+]1 ZINC000897176518 583889476 /nfs/dbraw/zinc/88/94/76/583889476.db2.gz ZCCAFZZEXQUKCZ-GARJFASQSA-N 1 2 217.316 2.640 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)[nH+]c1 ZINC000897177180 583890132 /nfs/dbraw/zinc/89/01/32/583890132.db2.gz KVLACMMLVFCUFX-JULQROHOSA-N 1 2 232.327 2.735 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897177403 583890406 /nfs/dbraw/zinc/89/04/06/583890406.db2.gz OYAJWPGFNDRMON-GARJFASQSA-N 1 2 218.300 2.691 20 0 BFADLO c1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)nc(C2CC2)[nH+]1 ZINC000897182278 583892355 /nfs/dbraw/zinc/89/23/55/583892355.db2.gz YTYUMQMINQMAHJ-QJPTWQEYSA-N 1 2 229.327 2.955 20 0 BFADLO Cc1nc(NC[C@H]2CCCC(C)(C)O2)cc[nH+]1 ZINC000897253759 583903689 /nfs/dbraw/zinc/90/36/89/583903689.db2.gz HANFZPFAUFVDQM-LLVKDONJSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@@H](Nc1cnn(CC)c1C)c1[nH+]ccn1C ZINC000872137263 583947543 /nfs/dbraw/zinc/94/75/43/583947543.db2.gz KFOUHGLXYWPPHW-LLVKDONJSA-N 1 2 247.346 2.508 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CC=CC[C@H]2C)[nH+]1 ZINC000897392630 583948632 /nfs/dbraw/zinc/94/86/32/583948632.db2.gz ITQMZUPLZKJPDR-IJLUTSLNSA-N 1 2 232.327 2.902 20 0 BFADLO Cc1nc(N[C@@H](c2ccncc2)C2CC2)cc[nH+]1 ZINC000897423461 583964477 /nfs/dbraw/zinc/96/44/77/583964477.db2.gz KVJJYAKWDXJATP-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO CCC/C=C\C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000729350583 583993912 /nfs/dbraw/zinc/99/39/12/583993912.db2.gz DJLATWKROQHUJO-LDJOOVGUSA-N 1 2 247.342 2.820 20 0 BFADLO Cc1ccn2cc(C[NH2+]Cc3ccoc3)nc2c1 ZINC000729680967 584022712 /nfs/dbraw/zinc/02/27/12/584022712.db2.gz JVSWKYINPNAEDM-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1cc(F)cc(F)c1 ZINC000148721144 584035676 /nfs/dbraw/zinc/03/56/76/584035676.db2.gz SHZFPQXSNBEXTJ-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cn1cccc1C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897944424 584063007 /nfs/dbraw/zinc/06/30/07/584063007.db2.gz FPOLUYKCRQSHOO-UHFFFAOYSA-N 1 2 247.342 2.600 20 0 BFADLO CC(C)c1nnc(C[NH2+]C/C=C\Cl)s1 ZINC000898426836 584132105 /nfs/dbraw/zinc/13/21/05/584132105.db2.gz APEJJIPQRXJTJH-ARJAWSKDSA-N 1 2 231.752 2.504 20 0 BFADLO Cl/C=C/C[NH2+]Cc1ncc(Cl)s1 ZINC000898432777 584135090 /nfs/dbraw/zinc/13/50/90/584135090.db2.gz ILPVIJMIGWLBJV-OWOJBTEDSA-N 1 2 223.128 2.639 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccns1 ZINC000858575629 588967825 /nfs/dbraw/zinc/96/78/25/588967825.db2.gz CELXSPHKOGVWNL-NXEZZACHSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)c1nc(N[C@@H]2CO[C@H](C3CC3)C2)cc[nH+]1 ZINC000858809904 588977171 /nfs/dbraw/zinc/97/71/71/588977171.db2.gz TUDKOCNIIWELNJ-RYUDHWBXSA-N 1 2 247.342 2.579 20 0 BFADLO C/C=C(/C=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)CC ZINC000900996128 584374994 /nfs/dbraw/zinc/37/49/94/584374994.db2.gz CVLJMHQBNBTNQH-FUSVFIKZSA-N 1 2 247.342 2.555 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000116386866 588979009 /nfs/dbraw/zinc/97/90/09/588979009.db2.gz XQDJZDDABLVGCX-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO CCCCC[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901118361 584386528 /nfs/dbraw/zinc/38/65/28/584386528.db2.gz NUOAENZIXJVISK-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO COC(C)(C)CC[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000901412848 584440923 /nfs/dbraw/zinc/44/09/23/584440923.db2.gz ODMHKJFCKLXWIH-VIFPVBQESA-N 1 2 241.297 2.978 20 0 BFADLO Cc1ccc(CSCc2ccc[nH+]c2N)o1 ZINC000901671202 584477984 /nfs/dbraw/zinc/47/79/84/584477984.db2.gz CVLKMQGBVIUDEW-UHFFFAOYSA-N 1 2 234.324 2.999 20 0 BFADLO CCOc1ccc([NH2+]C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000901947701 584507073 /nfs/dbraw/zinc/50/70/73/584507073.db2.gz POJUVBDYAMWJBQ-SWLSCSKDSA-N 1 2 247.338 2.924 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(C)cc2)c1 ZINC000902079544 584520473 /nfs/dbraw/zinc/52/04/73/584520473.db2.gz OGIYPJFDKPZEDW-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCOc1cccc(NCc2cn(CC)c[nH+]2)c1 ZINC000902082363 584521102 /nfs/dbraw/zinc/52/11/02/584521102.db2.gz HFKCISBTNXOMDW-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO Cc1cc(NCc2cnc(Cl)c(C)c2)nc[nH+]1 ZINC000902196092 584536712 /nfs/dbraw/zinc/53/67/12/584536712.db2.gz QAHHRMAEKLVOLZ-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCn1cc[nH+]c1CNc1cccnc1C1CC1 ZINC000902290186 584548068 /nfs/dbraw/zinc/54/80/68/584548068.db2.gz XZDBVVLJTAOAAV-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO CCn1c[nH+]c(CNc2cc(F)ccc2OC)c1 ZINC000902448431 584605855 /nfs/dbraw/zinc/60/58/55/584605855.db2.gz FTGYWRFLSCXBGW-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCn1c[nH+]c(CNc2cc(F)ccc2F)c1 ZINC000902459108 584611161 /nfs/dbraw/zinc/61/11/61/584611161.db2.gz BFOCXXWMVJBVFZ-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CC1(COc2ccc3c[nH+]ccc3c2)COC1 ZINC000902637474 584649115 /nfs/dbraw/zinc/64/91/15/584649115.db2.gz IBWGHHMLOMLSGT-UHFFFAOYSA-N 1 2 229.279 2.650 20 0 BFADLO Oc1ccc(Cl)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000902992068 584710222 /nfs/dbraw/zinc/71/02/22/584710222.db2.gz GLWWMEIXMUUGCH-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO Oc1ccc(Cl)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000902992068 584710223 /nfs/dbraw/zinc/71/02/23/584710223.db2.gz GLWWMEIXMUUGCH-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO Cc1nsc(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000902991816 584710236 /nfs/dbraw/zinc/71/02/36/584710236.db2.gz BWAFFAAAJGHYCR-JTQLQIEISA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nsc(C)c1C[N@H+]1CCC[C@H](F)C1 ZINC000902991816 584710238 /nfs/dbraw/zinc/71/02/38/584710238.db2.gz BWAFFAAAJGHYCR-JTQLQIEISA-N 1 2 228.336 2.694 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccns1 ZINC000903073864 584726284 /nfs/dbraw/zinc/72/62/84/584726284.db2.gz VMSVNHHEFHSDOX-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccns1 ZINC000903073864 584726285 /nfs/dbraw/zinc/72/62/85/584726285.db2.gz VMSVNHHEFHSDOX-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1[nH]cc[nH+]1 ZINC000903143039 584730847 /nfs/dbraw/zinc/73/08/47/584730847.db2.gz MVTBDTOINFIXEG-SECBINFHSA-N 1 2 248.305 2.788 20 0 BFADLO CCCSC[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000903164589 584731821 /nfs/dbraw/zinc/73/18/21/584731821.db2.gz IVPNBSLUCBFVFF-MRVPVSSYSA-N 1 2 223.332 2.905 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1cncs1 ZINC000903311102 584748209 /nfs/dbraw/zinc/74/82/09/584748209.db2.gz NJCBOZMLLCQWBT-NXEZZACHSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ncc[nH]1 ZINC000903336452 584751318 /nfs/dbraw/zinc/75/13/18/584751318.db2.gz YNPPBJJRZMAISJ-MFKMUULPSA-N 1 2 242.326 2.607 20 0 BFADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]C/C=C\Cl ZINC000903445877 584770097 /nfs/dbraw/zinc/77/00/97/584770097.db2.gz WOPHQQUFHURUKE-UAJXTSGYSA-N 1 2 241.693 2.800 20 0 BFADLO CC1(C(=O)Nc2cccc3[nH+]ccn32)CC=CC1 ZINC000903620168 584787214 /nfs/dbraw/zinc/78/72/14/584787214.db2.gz GPKUCPFCNFYCAI-UHFFFAOYSA-N 1 2 241.294 2.629 20 0 BFADLO CCC[C@@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269603 584858747 /nfs/dbraw/zinc/85/87/47/584858747.db2.gz MICNFIVMQRZLIH-MRVPVSSYSA-N 1 2 246.314 2.926 20 0 BFADLO C[NH2+]c1ccc(NCc2nccn2C2CC2)cc1 ZINC000904381275 584876495 /nfs/dbraw/zinc/87/64/95/584876495.db2.gz SDUFXSZPKNILQP-UHFFFAOYSA-N 1 2 242.326 2.872 20 0 BFADLO CC(C)CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000731907368 584931153 /nfs/dbraw/zinc/93/11/53/584931153.db2.gz FMQVVGMIBUHHFL-UHFFFAOYSA-N 1 2 232.283 2.537 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CCSC[C@@H]2C)o1 ZINC000738340065 585043342 /nfs/dbraw/zinc/04/33/42/585043342.db2.gz KFKZHUFBTBXXCB-JTQLQIEISA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CCSC[C@@H]2C)o1 ZINC000738340065 585043343 /nfs/dbraw/zinc/04/33/43/585043343.db2.gz KFKZHUFBTBXXCB-JTQLQIEISA-N 1 2 240.372 2.735 20 0 BFADLO CC/C=C(/C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838952634 585080909 /nfs/dbraw/zinc/08/09/09/585080909.db2.gz JJTJLPGJTBNMJQ-XFFZJAGNSA-N 1 2 248.326 2.547 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2cscc2Cl)C1 ZINC000839133484 585094109 /nfs/dbraw/zinc/09/41/09/585094109.db2.gz PPIZPKHCMRMQCK-UHFFFAOYSA-N 1 2 245.775 2.604 20 0 BFADLO Fc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cn1 ZINC000839137272 585094262 /nfs/dbraw/zinc/09/42/62/585094262.db2.gz CELOVGREFAQMSH-UHFFFAOYSA-N 1 2 248.223 2.605 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)C3=CCC3)ccc2n1C ZINC000839396454 585102476 /nfs/dbraw/zinc/10/24/76/585102476.db2.gz SFRRKYRNNKNYMO-UHFFFAOYSA-N 1 2 242.278 2.507 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000740885300 585108005 /nfs/dbraw/zinc/10/80/05/585108005.db2.gz ZOCKLPSJBZHEIX-NKWVEPMBSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000740885300 585108006 /nfs/dbraw/zinc/10/80/06/585108006.db2.gz ZOCKLPSJBZHEIX-NKWVEPMBSA-N 1 2 213.218 2.617 20 0 BFADLO CCCOC(=O)[C@H](C)[NH2+]C(C)(C)c1ccccc1 ZINC000741780699 585118625 /nfs/dbraw/zinc/11/86/25/585118625.db2.gz OAUIAKNGWAMYFH-LBPRGKRZSA-N 1 2 249.354 2.853 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000741781840 585118631 /nfs/dbraw/zinc/11/86/31/585118631.db2.gz NIZBOYFVYLMESY-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000741781840 585118632 /nfs/dbraw/zinc/11/86/32/585118632.db2.gz NIZBOYFVYLMESY-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1nc(N2CCC3(CCCC3)C2)cc[nH+]1 ZINC000742425300 585125916 /nfs/dbraw/zinc/12/59/16/585125916.db2.gz CKWILYGQHFFWMS-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=C(C)C(C)(C)C ZINC000742676619 585129851 /nfs/dbraw/zinc/12/98/51/585129851.db2.gz GBODADGGFRRGGD-LUAWRHEFSA-N 1 2 246.354 2.997 20 0 BFADLO Cc1ccc([N@H+](C)CC2(C)COC2)cc1C ZINC000743841811 585140258 /nfs/dbraw/zinc/14/02/58/585140258.db2.gz XTBOZRNSDJJJCW-UHFFFAOYSA-N 1 2 219.328 2.776 20 0 BFADLO Cc1ccc([N@@H+](C)CC2(C)COC2)cc1C ZINC000743841811 585140259 /nfs/dbraw/zinc/14/02/59/585140259.db2.gz XTBOZRNSDJJJCW-UHFFFAOYSA-N 1 2 219.328 2.776 20 0 BFADLO CC[C@@H](CC(=O)OCc1c[nH+]cn1C)C(C)C ZINC000747782749 585184171 /nfs/dbraw/zinc/18/41/71/585184171.db2.gz PKWNUKQDYYAEBS-NSHDSACASA-N 1 2 238.331 2.536 20 0 BFADLO CC(C)c1nc(NCc2cccc(F)n2)cc[nH+]1 ZINC000747845157 585185057 /nfs/dbraw/zinc/18/50/57/585185057.db2.gz OZGVZTUODDBWBB-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO C/C=C/C=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749989659 585209422 /nfs/dbraw/zinc/20/94/22/585209422.db2.gz BESXAMXVTWKZEM-MDAAKZFYSA-N 1 2 245.326 2.527 20 0 BFADLO Cc1cnc(CNc2cc[nH+]c(C(C)(C)C)n2)o1 ZINC000750029380 585209685 /nfs/dbraw/zinc/20/96/85/585209685.db2.gz IEFLAPLZSLKZAD-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CC(C)=C(C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000751194013 585225471 /nfs/dbraw/zinc/22/54/71/585225471.db2.gz USODGRQOKNIUNW-GFCCVEGCSA-N 1 2 247.342 2.820 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cn1sc2ccccc2c1=O ZINC000751925427 585239204 /nfs/dbraw/zinc/23/92/04/585239204.db2.gz PKCNVZBWLOTXCY-JTQLQIEISA-N 1 2 248.351 2.505 20 0 BFADLO C[C@H]1CCC[N@H+]1Cn1sc2ccccc2c1=O ZINC000751925427 585239205 /nfs/dbraw/zinc/23/92/05/585239205.db2.gz PKCNVZBWLOTXCY-JTQLQIEISA-N 1 2 248.351 2.505 20 0 BFADLO NC(=[NH+]OCC1CCC1)c1cccc(Cl)c1 ZINC000753821670 585270428 /nfs/dbraw/zinc/27/04/28/585270428.db2.gz JXKZQODXRCTKTE-UHFFFAOYSA-N 1 2 238.718 2.987 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000757862994 585346038 /nfs/dbraw/zinc/34/60/38/585346038.db2.gz WOLRRRNNDVEPJA-KNVOCYPGSA-N 1 2 213.218 2.760 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000757862994 585346039 /nfs/dbraw/zinc/34/60/39/585346039.db2.gz WOLRRRNNDVEPJA-KNVOCYPGSA-N 1 2 213.218 2.760 20 0 BFADLO c1cn(C2CC2)c(SCCCn2cc[nH+]c2)n1 ZINC000758363098 585354848 /nfs/dbraw/zinc/35/48/48/585354848.db2.gz DXPNSQWNUIWZAJ-UHFFFAOYSA-N 1 2 248.355 2.597 20 0 BFADLO CC(C)c1nc(N[C@H](C)C[C@H]2CCOC2)cc[nH+]1 ZINC000759700886 585378957 /nfs/dbraw/zinc/37/89/57/585378957.db2.gz ZSIWKLWBHBXAGN-VXGBXAGGSA-N 1 2 249.358 2.827 20 0 BFADLO C[C@@H](Nc1cc[nH+]c2ccncc12)c1ccc[nH]1 ZINC000760274754 585388659 /nfs/dbraw/zinc/38/86/59/585388659.db2.gz UHQQDYHEOSQGIF-SNVBAGLBSA-N 1 2 238.294 2.553 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccn2C)sc1C ZINC000760960170 585402620 /nfs/dbraw/zinc/40/26/20/585402620.db2.gz NNTHIBOTERSKSF-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccn2C)sc1C ZINC000760960170 585402621 /nfs/dbraw/zinc/40/26/21/585402621.db2.gz NNTHIBOTERSKSF-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1cc(NC(=O)C(F)=C2CCCC2)cc[nH+]1 ZINC000763043881 585442297 /nfs/dbraw/zinc/44/22/97/585442297.db2.gz IAFWGZKKCGKVBU-UHFFFAOYSA-N 1 2 234.274 2.548 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000763271623 585445605 /nfs/dbraw/zinc/44/56/05/585445605.db2.gz LVSKSFSHMFJVLM-CHWSQXEVSA-N 1 2 249.354 2.721 20 0 BFADLO CS/C=C/C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000764237184 585461737 /nfs/dbraw/zinc/46/17/37/585461737.db2.gz TVHSFUJQXFIKAT-AATRIKPKSA-N 1 2 236.340 2.822 20 0 BFADLO COc1ccc(NCc2cc(C)oc2C)[nH+]c1 ZINC000767383365 585518718 /nfs/dbraw/zinc/51/87/18/585518718.db2.gz NAXBEGZUANRAIV-UHFFFAOYSA-N 1 2 232.283 2.912 20 0 BFADLO CC/C=C/CCOC(=O)c1ccc(C)[nH+]c1NC ZINC000767487212 585520975 /nfs/dbraw/zinc/52/09/75/585520975.db2.gz BNWVILSIYCNQTO-AATRIKPKSA-N 1 2 248.326 2.945 20 0 BFADLO CC1=CC[N@H+](Cc2coc(C3CC3)n2)CC1 ZINC000769447892 585556688 /nfs/dbraw/zinc/55/66/88/585556688.db2.gz ZXAYFSGHXFLCLV-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CC[N@@H+](Cc2coc(C3CC3)n2)CC1 ZINC000769447892 585556689 /nfs/dbraw/zinc/55/66/89/585556689.db2.gz ZXAYFSGHXFLCLV-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO Fc1ccc2cc[nH+]c(NCc3ccon3)c2c1 ZINC000769907953 585566384 /nfs/dbraw/zinc/56/63/84/585566384.db2.gz DZPANUHMBJIIFJ-UHFFFAOYSA-N 1 2 243.241 2.974 20 0 BFADLO CC(C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770068286 585570743 /nfs/dbraw/zinc/57/07/43/585570743.db2.gz MUKXPUFWBRNLBH-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO CC/C=C(/C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922770 585584353 /nfs/dbraw/zinc/58/43/53/585584353.db2.gz RSGGEKQCBRTSTM-WZUFQYTHSA-N 1 2 244.294 2.734 20 0 BFADLO CCCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000771883124 585603159 /nfs/dbraw/zinc/60/31/59/585603159.db2.gz XEDSNCIKAUFRMM-UHFFFAOYSA-N 1 2 221.300 2.932 20 0 BFADLO Cc1ccc(NC(=O)C2(F)CCCC2)c(C)[nH+]1 ZINC000772144031 585609100 /nfs/dbraw/zinc/60/91/00/585609100.db2.gz FWUKSUNOZBDXQQ-UHFFFAOYSA-N 1 2 236.290 2.919 20 0 BFADLO CS/C=C\C(=O)OCc1ccc(C)[nH+]c1C ZINC000772190145 585609619 /nfs/dbraw/zinc/60/96/19/585609619.db2.gz GYGKLLXZCJEILO-SREVYHEPSA-N 1 2 237.324 2.618 20 0 BFADLO CS/C=C/C(=O)OCc1ccc(C)[nH+]c1C ZINC000772190146 585609688 /nfs/dbraw/zinc/60/96/88/585609688.db2.gz GYGKLLXZCJEILO-VOTSOKGWSA-N 1 2 237.324 2.618 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2cc(C)ccc21 ZINC000773643269 585641901 /nfs/dbraw/zinc/64/19/01/585641901.db2.gz DOHYYBUMFQGFGZ-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000774913293 585669303 /nfs/dbraw/zinc/66/93/03/585669303.db2.gz RXLGXAHNLYVNPS-JTQLQIEISA-N 1 2 219.275 2.655 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCC=CO1 ZINC000774913293 585669304 /nfs/dbraw/zinc/66/93/04/585669304.db2.gz RXLGXAHNLYVNPS-JTQLQIEISA-N 1 2 219.275 2.655 20 0 BFADLO FC1(F)CC[N@H+](CCc2cccs2)C1 ZINC000776609115 585702642 /nfs/dbraw/zinc/70/26/42/585702642.db2.gz KCFLSVJIDFCIEB-UHFFFAOYSA-N 1 2 217.284 2.632 20 0 BFADLO FC1(F)CC[N@@H+](CCc2cccs2)C1 ZINC000776609115 585702643 /nfs/dbraw/zinc/70/26/43/585702643.db2.gz KCFLSVJIDFCIEB-UHFFFAOYSA-N 1 2 217.284 2.632 20 0 BFADLO CC[C@H]([NH2+]c1ccc(OCCO)cc1)C1CC1 ZINC000777687128 585718682 /nfs/dbraw/zinc/71/86/82/585718682.db2.gz GRBQXSFKXLPMGX-AWEZNQCLSA-N 1 2 235.327 2.658 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@H]1F ZINC000778231344 585728173 /nfs/dbraw/zinc/72/81/73/585728173.db2.gz DXZJYOSBFSZFMV-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1F ZINC000778231344 585728174 /nfs/dbraw/zinc/72/81/74/585728174.db2.gz DXZJYOSBFSZFMV-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@H]1F ZINC000778231341 585728307 /nfs/dbraw/zinc/72/83/07/585728307.db2.gz DXZJYOSBFSZFMV-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@H]1F ZINC000778231341 585728308 /nfs/dbraw/zinc/72/83/08/585728308.db2.gz DXZJYOSBFSZFMV-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1F ZINC000778237442 585729109 /nfs/dbraw/zinc/72/91/09/585729109.db2.gz POFINYJCUZEIDE-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1F ZINC000778237442 585729110 /nfs/dbraw/zinc/72/91/10/585729110.db2.gz POFINYJCUZEIDE-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO CC(C)n1ccn(C[N@H+]2CC=CCC2)c1=S ZINC000778577310 585737416 /nfs/dbraw/zinc/73/74/16/585737416.db2.gz QPKHUSSLZZKOIZ-UHFFFAOYSA-N 1 2 237.372 2.819 20 0 BFADLO CC(C)n1ccn(C[N@@H+]2CC=CCC2)c1=S ZINC000778577310 585737417 /nfs/dbraw/zinc/73/74/17/585737417.db2.gz QPKHUSSLZZKOIZ-UHFFFAOYSA-N 1 2 237.372 2.819 20 0 BFADLO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000778959944 585743021 /nfs/dbraw/zinc/74/30/21/585743021.db2.gz FQSKIONUPQTOJJ-HNNXBMFYSA-N 1 2 249.329 2.896 20 0 BFADLO Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000778959944 585743022 /nfs/dbraw/zinc/74/30/22/585743022.db2.gz FQSKIONUPQTOJJ-HNNXBMFYSA-N 1 2 249.329 2.896 20 0 BFADLO CCSCc1cc[nH+]c(N[C@H](C)CCO)c1 ZINC000779419933 585754531 /nfs/dbraw/zinc/75/45/31/585754531.db2.gz JXMIFQRQNXXPMA-SNVBAGLBSA-N 1 2 240.372 2.518 20 0 BFADLO C[C@H]1CCOCC[N@@H+]1Cc1c(F)cccc1F ZINC000780314678 585777584 /nfs/dbraw/zinc/77/75/84/585777584.db2.gz KLJUKCFVJRDRRG-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]1CCOCC[N@H+]1Cc1c(F)cccc1F ZINC000780314678 585777585 /nfs/dbraw/zinc/77/75/85/585777585.db2.gz KLJUKCFVJRDRRG-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO CC(C)(C)c1nc(NC[C@H]2CCC=CO2)cc[nH+]1 ZINC000780622950 585782401 /nfs/dbraw/zinc/78/24/01/585782401.db2.gz QWEGFPQZFOSETI-LLVKDONJSA-N 1 2 247.342 2.879 20 0 BFADLO COc1cccc(CNc2cc(F)cc[nH+]2)c1 ZINC000780907461 585786141 /nfs/dbraw/zinc/78/61/41/585786141.db2.gz VLYZPRAIHQYRMW-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CC/C(C)=C(/C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000781011932 585788480 /nfs/dbraw/zinc/78/84/80/585788480.db2.gz AIYURIIZUANLMY-WEHUKYGOSA-N 1 2 247.342 2.820 20 0 BFADLO CC[C@H]([NH2+]c1ccc(OCCO)c(C)c1)C1CC1 ZINC000782783904 585824470 /nfs/dbraw/zinc/82/44/70/585824470.db2.gz QQXDPVKFQILJPV-AWEZNQCLSA-N 1 2 249.354 2.967 20 0 BFADLO CCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783155313 585828518 /nfs/dbraw/zinc/82/85/18/585828518.db2.gz DOYSBPKIJMDKBL-UHFFFAOYSA-N 1 2 224.279 2.667 20 0 BFADLO NC(=[NH+]OCCC1CC1)c1cccc(Cl)c1 ZINC000783554649 585836815 /nfs/dbraw/zinc/83/68/15/585836815.db2.gz DIOYPORLVGRNLI-UHFFFAOYSA-N 1 2 238.718 2.987 20 0 BFADLO CC[C@H](C)CCCCC(=O)NC1=[NH+]CCS1 ZINC000783871925 585845338 /nfs/dbraw/zinc/84/53/38/585845338.db2.gz QGBXOQWKSYIKDY-JTQLQIEISA-N 1 2 242.388 2.812 20 0 BFADLO Cc1c[nH+]cc(NCc2ccc(F)nc2C)c1 ZINC000784284963 585854729 /nfs/dbraw/zinc/85/47/29/585854729.db2.gz YBAXBVLETGVKIL-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CN1CCOc2ccc([NH2+]CC3(C)CC3)cc21 ZINC000785496860 585874612 /nfs/dbraw/zinc/87/46/12/585874612.db2.gz NQRCNVGLVWCVOG-UHFFFAOYSA-N 1 2 232.327 2.727 20 0 BFADLO Nc1cc(COC(=O)CCC2CCCC2)cc[nH+]1 ZINC000787579681 585912399 /nfs/dbraw/zinc/91/23/99/585912399.db2.gz YGRFFDHLJZDYRX-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO COc1ccc([NH2+]C2CC(C)(C)C2)cc1CO ZINC000788598186 585927635 /nfs/dbraw/zinc/92/76/35/585927635.db2.gz KFBCATDDOPDZMU-UHFFFAOYSA-N 1 2 235.327 2.788 20 0 BFADLO Fc1ccc(-c2cn3c([nH+]2)CCC3)cc1F ZINC000788866908 585931741 /nfs/dbraw/zinc/93/17/41/585931741.db2.gz JIIZVHZESLGLDD-UHFFFAOYSA-N 1 2 220.222 2.775 20 0 BFADLO C/C=C(/CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000789655909 585947898 /nfs/dbraw/zinc/94/78/98/585947898.db2.gz XNSDLRFMXPKSMK-KMKOMSMNSA-N 1 2 229.283 2.629 20 0 BFADLO CCC(CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000791142682 585974441 /nfs/dbraw/zinc/97/44/41/585974441.db2.gz YMERUSDYDUMQRP-UHFFFAOYSA-N 1 2 249.358 2.831 20 0 BFADLO COc1ncc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000791575083 585984380 /nfs/dbraw/zinc/98/43/80/585984380.db2.gz AFMNTDCATRISSR-DTORHVGOSA-N 1 2 240.734 2.726 20 0 BFADLO COc1ncc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000791575083 585984381 /nfs/dbraw/zinc/98/43/81/585984381.db2.gz AFMNTDCATRISSR-DTORHVGOSA-N 1 2 240.734 2.726 20 0 BFADLO CC(C)c1cnc(C[NH+]2[C@@H](C)C[C@@H]2C)o1 ZINC000791577827 585984833 /nfs/dbraw/zinc/98/48/33/585984833.db2.gz NLPVXAWWHMLEHD-UWVGGRQHSA-N 1 2 208.305 2.781 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000793220108 586014552 /nfs/dbraw/zinc/01/45/52/586014552.db2.gz JYMMGEOQWVQKAW-KNVOCYPGSA-N 1 2 248.157 2.710 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000793220108 586014553 /nfs/dbraw/zinc/01/45/53/586014553.db2.gz JYMMGEOQWVQKAW-KNVOCYPGSA-N 1 2 248.157 2.710 20 0 BFADLO CCc1cnc(C[NH+]2CCC(F)(F)CC2)s1 ZINC000793361056 586017612 /nfs/dbraw/zinc/01/76/12/586017612.db2.gz BWNMBEOTGHWFAZ-UHFFFAOYSA-N 1 2 246.326 2.937 20 0 BFADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2)n(C)n1 ZINC000793547099 586022545 /nfs/dbraw/zinc/02/25/45/586022545.db2.gz KGEUKWXZRPHMIN-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO C1=C([C@H]2Cc3ccccc32)N2CC[NH+]=C2S1 ZINC000793992456 586029571 /nfs/dbraw/zinc/02/95/71/586029571.db2.gz NQWNXNCQCRCSIG-NSHDSACASA-N 1 2 228.320 2.586 20 0 BFADLO C[Si](C)(C)C[N@@H+]1C[C@H](CO)Cc2ccccc21 ZINC000794580521 586045003 /nfs/dbraw/zinc/04/50/03/586045003.db2.gz VBQFHDHEEQWTHN-GFCCVEGCSA-N 1 2 249.430 2.535 20 0 BFADLO C[Si](C)(C)C[N@H+]1C[C@H](CO)Cc2ccccc21 ZINC000794580521 586045004 /nfs/dbraw/zinc/04/50/04/586045004.db2.gz VBQFHDHEEQWTHN-GFCCVEGCSA-N 1 2 249.430 2.535 20 0 BFADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@H]1c1ccccc1 ZINC000796450909 586103622 /nfs/dbraw/zinc/10/36/22/586103622.db2.gz TYKITLICIATLKP-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@H]1c1ccccc1 ZINC000796450909 586103623 /nfs/dbraw/zinc/10/36/23/586103623.db2.gz TYKITLICIATLKP-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000796450909 586103624 /nfs/dbraw/zinc/10/36/24/586103624.db2.gz TYKITLICIATLKP-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000796450909 586103625 /nfs/dbraw/zinc/10/36/25/586103625.db2.gz TYKITLICIATLKP-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO COCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796969463 586118146 /nfs/dbraw/zinc/11/81/46/586118146.db2.gz XNZBBKUALQIAFY-SNVBAGLBSA-N 1 2 231.299 2.729 20 0 BFADLO CC(C)C[C@H](C)CO[NH+]=C(N)Cc1cccnc1 ZINC000799175529 586164643 /nfs/dbraw/zinc/16/46/43/586164643.db2.gz CRDCAPVPHBQYIU-LBPRGKRZSA-N 1 2 249.358 2.805 20 0 BFADLO CC[C@@H]1C[N@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000799200316 586167111 /nfs/dbraw/zinc/16/71/11/586167111.db2.gz HGBBTIMAUFFKOS-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000799200316 586167112 /nfs/dbraw/zinc/16/71/12/586167112.db2.gz HGBBTIMAUFFKOS-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)c1ncc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000799737155 586195825 /nfs/dbraw/zinc/19/58/25/586195825.db2.gz WQPJMAVPCYEKOR-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1ncc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000799737155 586195826 /nfs/dbraw/zinc/19/58/26/586195826.db2.gz WQPJMAVPCYEKOR-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000800533863 586224258 /nfs/dbraw/zinc/22/42/58/586224258.db2.gz TXNPPZWEPGLKPW-MNOVXSKESA-N 1 2 231.286 2.799 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000800533863 586224261 /nfs/dbraw/zinc/22/42/61/586224261.db2.gz TXNPPZWEPGLKPW-MNOVXSKESA-N 1 2 231.286 2.799 20 0 BFADLO Clc1cccc(NCCNc2cccc[nH+]2)n1 ZINC000800846321 586233602 /nfs/dbraw/zinc/23/36/02/586233602.db2.gz KTPSQQFILQYNCZ-UHFFFAOYSA-N 1 2 248.717 2.654 20 0 BFADLO CC[NH2+]Cc1noc(C(CC)(CC)CC)n1 ZINC000843144709 586431879 /nfs/dbraw/zinc/43/18/79/586431879.db2.gz INAIZBABMGNKGX-UHFFFAOYSA-N 1 2 225.336 2.647 20 0 BFADLO CC[NH2+]Cc1noc(/C=C/C2CCCCC2)n1 ZINC000843144714 586431972 /nfs/dbraw/zinc/43/19/72/586431972.db2.gz IOGVVFXFXHUOOH-CMDGGOBGSA-N 1 2 235.331 2.773 20 0 BFADLO CC[NH2+]Cc1noc(C(C)(C)C2CCCC2)n1 ZINC000843145120 586444364 /nfs/dbraw/zinc/44/43/64/586444364.db2.gz ULXFRLKKMLJKTA-UHFFFAOYSA-N 1 2 237.347 2.647 20 0 BFADLO C[N@H+](Cn1ncsc1=S)C1CC(C)(C)C1 ZINC000840162997 586500874 /nfs/dbraw/zinc/50/08/74/586500874.db2.gz CUOAIMNQQARYQK-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO C[N@@H+](Cn1ncsc1=S)C1CC(C)(C)C1 ZINC000840162997 586500877 /nfs/dbraw/zinc/50/08/77/586500877.db2.gz CUOAIMNQQARYQK-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(OCCCO)cc1 ZINC000809714885 586514133 /nfs/dbraw/zinc/51/41/33/586514133.db2.gz UQERCPYJWOGSJO-LBPRGKRZSA-N 1 2 237.343 2.904 20 0 BFADLO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCF)C2 ZINC000810097277 586533698 /nfs/dbraw/zinc/53/36/98/586533698.db2.gz GDSFMVYLSHNZPP-UHFFFAOYSA-N 1 2 235.302 2.512 20 0 BFADLO COc1ccc2c(c1)C1(CC1)C[N@H+](CCF)C2 ZINC000810097277 586533700 /nfs/dbraw/zinc/53/37/00/586533700.db2.gz GDSFMVYLSHNZPP-UHFFFAOYSA-N 1 2 235.302 2.512 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)OCc1c[nH+]ccc1OC ZINC000812637652 586581209 /nfs/dbraw/zinc/58/12/09/586581209.db2.gz HEPOBSVGQLLHMG-ZYHUDNBSSA-N 1 2 249.310 2.570 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)[C@H]1C ZINC000813867511 586608330 /nfs/dbraw/zinc/60/83/30/586608330.db2.gz KRDALFXEDKVYJM-TYNCELHUSA-N 1 2 248.370 2.572 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)N(C)CCO3)[C@H]1C ZINC000813866375 586608383 /nfs/dbraw/zinc/60/83/83/586608383.db2.gz OJPFKVDSKRMIRQ-NTZNESFSSA-N 1 2 246.354 2.972 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OCCO)cc2)[C@@H]1C ZINC000813866524 586608404 /nfs/dbraw/zinc/60/84/04/586608404.db2.gz RMBQREQGKMPANQ-JTNHKYCSSA-N 1 2 235.327 2.514 20 0 BFADLO Fc1cc(F)c(C[NH2+]Cc2ccoc2)c(F)c1 ZINC000815152062 586670472 /nfs/dbraw/zinc/67/04/72/586670472.db2.gz GYIQOIHVNSLKMO-UHFFFAOYSA-N 1 2 241.212 2.987 20 0 BFADLO Cc1cocc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000859781720 589060821 /nfs/dbraw/zinc/06/08/21/589060821.db2.gz MWBFVRDPAHRKHY-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2conc2C)no1 ZINC000816487885 586736164 /nfs/dbraw/zinc/73/61/64/586736164.db2.gz BBEMAWSBNMZSSW-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2conc2C)no1 ZINC000816487885 586736168 /nfs/dbraw/zinc/73/61/68/586736168.db2.gz BBEMAWSBNMZSSW-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO C[N@H+](CCF)Cc1ncccc1C(F)(F)F ZINC000816639890 586746744 /nfs/dbraw/zinc/74/67/44/586746744.db2.gz KKUBCMNGAQOFJO-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1ncccc1C(F)(F)F ZINC000816639890 586746747 /nfs/dbraw/zinc/74/67/47/586746747.db2.gz KKUBCMNGAQOFJO-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[C@@H]1C[N@H+](Cc2occc2Br)[C@H]1C ZINC000816648890 586748011 /nfs/dbraw/zinc/74/80/11/586748011.db2.gz QJQGMZRWFMZZJM-SFYZADRCSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2occc2Br)[C@H]1C ZINC000816648890 586748012 /nfs/dbraw/zinc/74/80/12/586748012.db2.gz QJQGMZRWFMZZJM-SFYZADRCSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(O)c2F)[C@@H]1C ZINC000816648216 586750997 /nfs/dbraw/zinc/75/09/97/586750997.db2.gz GXOSMGXIQPYJQX-HTQZYQBOSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)[C@@H]1C ZINC000816648216 586751000 /nfs/dbraw/zinc/75/10/00/586751000.db2.gz GXOSMGXIQPYJQX-HTQZYQBOSA-N 1 2 227.254 2.511 20 0 BFADLO C/C(=C\C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000816719425 586759941 /nfs/dbraw/zinc/75/99/41/586759941.db2.gz ZNHUMUSJKXNVFR-AAXQSMANSA-N 1 2 235.331 2.579 20 0 BFADLO CC(=CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000816719425 586759943 /nfs/dbraw/zinc/75/99/43/586759943.db2.gz ZNHUMUSJKXNVFR-AAXQSMANSA-N 1 2 235.331 2.579 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000817410838 586801870 /nfs/dbraw/zinc/80/18/70/586801870.db2.gz TYMDSJGQRANRMS-LLVKDONJSA-N 1 2 239.359 2.641 20 0 BFADLO c1cncc(N[C@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000817578415 586812616 /nfs/dbraw/zinc/81/26/16/586812616.db2.gz KEHZMTVIAZJSSX-ZDUSSCGKSA-N 1 2 239.322 2.836 20 0 BFADLO Cc1cc(C)cc([C@H](O)C[NH2+]CC(C)(F)F)c1 ZINC000819331890 586952952 /nfs/dbraw/zinc/95/29/52/586952952.db2.gz DZEMTMIOUGUQHJ-GFCCVEGCSA-N 1 2 243.297 2.582 20 0 BFADLO Cc1cc(C)cc([C@@H](O)C[NH2+]CC(C)(F)F)c1 ZINC000819331891 586953018 /nfs/dbraw/zinc/95/30/18/586953018.db2.gz DZEMTMIOUGUQHJ-LBPRGKRZSA-N 1 2 243.297 2.582 20 0 BFADLO CCC[C@H](C(=O)NC1=[NH+]C[C@@H](C)S1)C(C)C ZINC000819776451 586992360 /nfs/dbraw/zinc/99/23/60/586992360.db2.gz MBJKKQSQFWNURI-ZJUUUORDSA-N 1 2 242.388 2.666 20 0 BFADLO CCC(CC)[C@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778582 586992878 /nfs/dbraw/zinc/99/28/78/586992878.db2.gz ZQZTWTDDESCPHE-IUCAKERBSA-N 1 2 242.388 2.666 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781185 586994088 /nfs/dbraw/zinc/99/40/88/586994088.db2.gz JGKNSTUZTRLXIP-JGAIRUGNSA-N 1 2 240.372 2.586 20 0 BFADLO Cc1cc(CNc2ccc(Cl)nn2)cc(C)[nH+]1 ZINC000819930178 587002986 /nfs/dbraw/zinc/00/29/86/587002986.db2.gz LBXBLGNEBJRDBX-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)/C=C\C1CC1 ZINC000822315935 587161702 /nfs/dbraw/zinc/16/17/02/587161702.db2.gz WPACAJNTWROTCC-SREVYHEPSA-N 1 2 248.326 2.717 20 0 BFADLO FC(F)CC1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000822520436 587173024 /nfs/dbraw/zinc/17/30/24/587173024.db2.gz BGGUZKZHSILQJY-UHFFFAOYSA-N 1 2 246.688 2.822 20 0 BFADLO Cc1cc(CNC(=O)CCC2(C)CC2)cc(C)[nH+]1 ZINC000823056560 587200177 /nfs/dbraw/zinc/20/01/77/587200177.db2.gz CUVFTNOWUJJOAG-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CC(C)=C(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836106 587241603 /nfs/dbraw/zinc/24/16/03/587241603.db2.gz CNNQDLRSZHFCDC-UHFFFAOYSA-N 1 2 218.300 2.993 20 0 BFADLO Fc1c(C[N@H+]2CC=CCC2)ccnc1Cl ZINC000824119491 587256904 /nfs/dbraw/zinc/25/69/04/587256904.db2.gz JEZRLSCBUPPICT-UHFFFAOYSA-N 1 2 226.682 2.636 20 0 BFADLO Fc1c(C[N@@H+]2CC=CCC2)ccnc1Cl ZINC000824119491 587256906 /nfs/dbraw/zinc/25/69/06/587256906.db2.gz JEZRLSCBUPPICT-UHFFFAOYSA-N 1 2 226.682 2.636 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C)oc1C ZINC000825005973 587298244 /nfs/dbraw/zinc/29/82/44/587298244.db2.gz WPAUHGIDQNIAKB-LLVKDONJSA-N 1 2 247.342 2.964 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1CO ZINC000825003032 587298298 /nfs/dbraw/zinc/29/82/98/587298298.db2.gz ORYFXXWFMOTLKM-DDTOSNHZSA-N 1 2 247.338 2.788 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCS[C@@H]2C)cc[nH+]1 ZINC000826808859 587363011 /nfs/dbraw/zinc/36/30/11/587363011.db2.gz IDFIGSXLPLANMN-NXEZZACHSA-N 1 2 237.372 2.906 20 0 BFADLO COc1cccc(C[NH2+]Cc2cc(C)on2)c1C ZINC000827779614 587402153 /nfs/dbraw/zinc/40/21/53/587402153.db2.gz JGGVQEXEAUAKEI-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CCCOc1cccc(Cn2cc[nH+]c2)c1 ZINC000828109264 587419734 /nfs/dbraw/zinc/41/97/34/587419734.db2.gz HWTMUVLRVGHPDE-UHFFFAOYSA-N 1 2 216.284 2.720 20 0 BFADLO FC(F)(F)C1C[NH+](Cc2cccs2)C1 ZINC000828407614 587440515 /nfs/dbraw/zinc/44/05/15/587440515.db2.gz FVGNYKDIYLFWET-UHFFFAOYSA-N 1 2 221.247 2.742 20 0 BFADLO CCc1ccc(NCc2cn(C)c[nH+]2)cc1OC ZINC000830680523 587563883 /nfs/dbraw/zinc/56/38/83/587563883.db2.gz NDWJSGWPEOLXHT-UHFFFAOYSA-N 1 2 245.326 2.603 20 0 BFADLO O=C(/C=C\C1CCCC1)OCCCn1cc[nH+]c1 ZINC000830787202 587570260 /nfs/dbraw/zinc/57/02/60/587570260.db2.gz ATHOWBXRDVQFRT-SREVYHEPSA-N 1 2 248.326 2.563 20 0 BFADLO CC1(C)CC[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831601064 587622882 /nfs/dbraw/zinc/62/28/82/587622882.db2.gz UAJRLAWJPCETRI-MNOVXSKESA-N 1 2 247.342 2.509 20 0 BFADLO CCCC(C)(C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277960 587703830 /nfs/dbraw/zinc/70/38/30/587703830.db2.gz KRKGWRJWDZBXQW-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@H](C)[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834891182 587769487 /nfs/dbraw/zinc/76/94/87/587769487.db2.gz ABOLWCNNKZYMBI-HZMBPMFUSA-N 1 2 248.326 2.512 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)co1 ZINC000834896826 587769686 /nfs/dbraw/zinc/76/96/86/587769686.db2.gz CYQKDMMZEMGZPU-JTQLQIEISA-N 1 2 246.310 2.793 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccoc2)co1 ZINC000834899428 587769895 /nfs/dbraw/zinc/76/98/95/587769895.db2.gz GUVSPVGULSDCLC-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2ccoc2)co1 ZINC000834899430 587770066 /nfs/dbraw/zinc/77/00/66/587770066.db2.gz GUVSPVGULSDCLC-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)C=C2CCCC2)c2[nH+]ccn21 ZINC000836957213 587843721 /nfs/dbraw/zinc/84/37/21/587843721.db2.gz ZUUINLCULMHBCK-PWSUYJOCSA-N 1 2 245.326 2.506 20 0 BFADLO CCC/C(C)=C/C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953635 587843749 /nfs/dbraw/zinc/84/37/49/587843749.db2.gz GKVXBRJTMNMYNN-BXAYLQTHSA-N 1 2 247.342 2.752 20 0 BFADLO C/C=C(/CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837105119 587854253 /nfs/dbraw/zinc/85/42/53/587854253.db2.gz PZOHIPGYSLIXHE-XGICHPGQSA-N 1 2 232.327 2.671 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@@H](C)C2)ccc1[NH+](C)C ZINC000842691020 588053150 /nfs/dbraw/zinc/05/31/50/588053150.db2.gz JYPDMLRHWAMQIE-AAEUAGOBSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1cccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000844268623 588178361 /nfs/dbraw/zinc/17/83/61/588178361.db2.gz NKVCNHVFRQKJBD-GFCCVEGCSA-N 1 2 244.294 2.748 20 0 BFADLO CCCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845280951 588225352 /nfs/dbraw/zinc/22/53/52/588225352.db2.gz LLJJHPNHTJEYNH-GFCCVEGCSA-N 1 2 238.331 2.958 20 0 BFADLO CCCC(C)(C)C(=O)OCCCn1cc[nH+]c1 ZINC000845358131 588228046 /nfs/dbraw/zinc/22/80/46/588228046.db2.gz XYQYOWFNROMKCR-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO O=C(/C=C\C1CCCCCC1)NCc1[nH]cc[nH+]1 ZINC000845487652 588230456 /nfs/dbraw/zinc/23/04/56/588230456.db2.gz NPYKYTCVFZVXMV-FPLPWBNLSA-N 1 2 247.342 2.553 20 0 BFADLO O=C(C=CC1CCCCCC1)NCc1[nH]cc[nH+]1 ZINC000845487652 588230457 /nfs/dbraw/zinc/23/04/57/588230457.db2.gz NPYKYTCVFZVXMV-FPLPWBNLSA-N 1 2 247.342 2.553 20 0 BFADLO CCC[C@@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845528779 588232393 /nfs/dbraw/zinc/23/23/93/588232393.db2.gz HADNMLDZZAUYGV-NEPJUHHUSA-N 1 2 238.331 2.814 20 0 BFADLO FC1(F)C[C@@]12CCCN(c1cccc[nH+]1)C2 ZINC000845744145 588243539 /nfs/dbraw/zinc/24/35/39/588243539.db2.gz OAJORHHHEAFOMA-LLVKDONJSA-N 1 2 224.254 2.707 20 0 BFADLO CCC/C(C)=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246159 588262520 /nfs/dbraw/zinc/26/25/20/588262520.db2.gz MQBKOVUIXGGABU-KTKRTIGZSA-N 1 2 235.331 2.507 20 0 BFADLO C[C@H]1Cc2cc([NH2+][C@H]3CCCOCC3)ccc2O1 ZINC000846749262 588284826 /nfs/dbraw/zinc/28/48/26/588284826.db2.gz DBAQWCQNCVEAAI-AAEUAGOBSA-N 1 2 247.338 2.991 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@@H]3CCOC[C@H]3C)ccc2O1 ZINC000846751325 588285234 /nfs/dbraw/zinc/28/52/34/588285234.db2.gz CXLZGCKZKLPAND-JTNHKYCSSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cnsn2)C1 ZINC000846775042 588287806 /nfs/dbraw/zinc/28/78/06/588287806.db2.gz VRESIVWSZQEUCM-MWLCHTKSSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cnsn2)C1 ZINC000846775042 588287807 /nfs/dbraw/zinc/28/78/07/588287807.db2.gz VRESIVWSZQEUCM-MWLCHTKSSA-N 1 2 225.361 2.549 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846918630 588296807 /nfs/dbraw/zinc/29/68/07/588296807.db2.gz LZZMIEGZHDZSDO-VIFPVBQESA-N 1 2 228.698 2.858 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846918630 588296808 /nfs/dbraw/zinc/29/68/08/588296808.db2.gz LZZMIEGZHDZSDO-VIFPVBQESA-N 1 2 228.698 2.858 20 0 BFADLO CCCCOC(=O)C(C)(C)[NH2+]CC=C(C)C ZINC000847062714 588305567 /nfs/dbraw/zinc/30/55/67/588305567.db2.gz NVZDJIQHQVEPAQ-UHFFFAOYSA-N 1 2 227.348 2.664 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc[nH]c1=S ZINC000107294107 588346236 /nfs/dbraw/zinc/34/62/36/588346236.db2.gz BGXAGXWTRPLHLL-UHFFFAOYSA-N 1 2 245.307 2.700 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCCCCCCC1 ZINC000848716815 588408176 /nfs/dbraw/zinc/40/81/76/588408176.db2.gz IZVDRUFCPGKIFF-UHFFFAOYSA-N 1 2 249.358 2.954 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)OCC3CCC3)ccn12 ZINC000848782897 588413746 /nfs/dbraw/zinc/41/37/46/588413746.db2.gz XQCPJHMVFQRDNE-UHFFFAOYSA-N 1 2 244.294 2.600 20 0 BFADLO CCC1(CC)C[NH+](Cc2cnc(Cl)n2C)C1 ZINC000848915059 588420174 /nfs/dbraw/zinc/42/01/74/588420174.db2.gz RNIDVHKDKIXWFD-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO C[C@H]([NH2+]CC1(C)CC1)C(=O)OCc1ccccc1 ZINC000848921096 588420685 /nfs/dbraw/zinc/42/06/85/588420685.db2.gz LGAHEZJJMMTFLZ-LBPRGKRZSA-N 1 2 247.338 2.508 20 0 BFADLO C[C@@H](O)CC[NH2+]c1ccc(OCC(F)F)cc1 ZINC000849314634 588471533 /nfs/dbraw/zinc/47/15/33/588471533.db2.gz CTEKWRGQSORPEH-SECBINFHSA-N 1 2 245.269 2.513 20 0 BFADLO CCc1cc[nH+]cc1NCc1cncc(OC)c1 ZINC000849347120 588474188 /nfs/dbraw/zinc/47/41/88/588474188.db2.gz RXJFHDAZDGMGJG-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C(C)C)ccn12 ZINC000849820706 588503263 /nfs/dbraw/zinc/50/32/63/588503263.db2.gz HPVRMNSIPMCPFI-NSHDSACASA-N 1 2 246.310 2.844 20 0 BFADLO CC1=CC[C@@](C)(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000850869536 588572212 /nfs/dbraw/zinc/57/22/12/588572212.db2.gz XEFMJPCYTMBAOM-CQSZACIVSA-N 1 2 248.326 2.600 20 0 BFADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cnon2)cc1 ZINC000851727176 588618586 /nfs/dbraw/zinc/61/85/86/588618586.db2.gz FSTXZLODBAELAT-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnon2)cc1 ZINC000851727176 588618587 /nfs/dbraw/zinc/61/85/87/588618587.db2.gz FSTXZLODBAELAT-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)[N@@H+](Cc1cnon1)Cc1cccs1 ZINC000851735099 588620343 /nfs/dbraw/zinc/62/03/43/588620343.db2.gz PJGCZOIUTCHHDO-UHFFFAOYSA-N 1 2 237.328 2.542 20 0 BFADLO CC(C)[N@H+](Cc1cnon1)Cc1cccs1 ZINC000851735099 588620344 /nfs/dbraw/zinc/62/03/44/588620344.db2.gz PJGCZOIUTCHHDO-UHFFFAOYSA-N 1 2 237.328 2.542 20 0 BFADLO CCC[N@H+](Cc1cnon1)Cc1ccccc1F ZINC000851739580 588621106 /nfs/dbraw/zinc/62/11/06/588621106.db2.gz NADNDWVKRCSFPK-UHFFFAOYSA-N 1 2 249.289 2.621 20 0 BFADLO CCC[N@@H+](Cc1cnon1)Cc1ccccc1F ZINC000851739580 588621107 /nfs/dbraw/zinc/62/11/07/588621107.db2.gz NADNDWVKRCSFPK-UHFFFAOYSA-N 1 2 249.289 2.621 20 0 BFADLO CC[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@@H](C)O1 ZINC000851769263 588625579 /nfs/dbraw/zinc/62/55/79/588625579.db2.gz LOCMIJMWYOOUAF-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@@H](C)O1 ZINC000851769263 588625580 /nfs/dbraw/zinc/62/55/80/588625580.db2.gz LOCMIJMWYOOUAF-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO c1coc([C@@H]2CCCCC[N@H+]2Cc2cnon2)c1 ZINC000851780493 588627230 /nfs/dbraw/zinc/62/72/30/588627230.db2.gz SVNOQGXJHBTUCI-LBPRGKRZSA-N 1 2 247.298 2.780 20 0 BFADLO c1coc([C@@H]2CCCCC[N@@H+]2Cc2cnon2)c1 ZINC000851780493 588627231 /nfs/dbraw/zinc/62/72/31/588627231.db2.gz SVNOQGXJHBTUCI-LBPRGKRZSA-N 1 2 247.298 2.780 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnon2)[C@H](c2ccco2)C1 ZINC000851793689 588629395 /nfs/dbraw/zinc/62/93/95/588629395.db2.gz HFIFOEMYRIUIEA-PWSUYJOCSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnon2)[C@H](c2ccco2)C1 ZINC000851793689 588629396 /nfs/dbraw/zinc/62/93/96/588629396.db2.gz HFIFOEMYRIUIEA-PWSUYJOCSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@@H]1[N@H+](CC=C(Cl)Cl)CCOC1(C)C ZINC000851813714 588632706 /nfs/dbraw/zinc/63/27/06/588632706.db2.gz DSYLQHQIPJQOSY-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H]1[N@@H+](CC=C(Cl)Cl)CCOC1(C)C ZINC000851813714 588632707 /nfs/dbraw/zinc/63/27/07/588632707.db2.gz DSYLQHQIPJQOSY-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H]([NH2+]Cc1cnon1)c1ccccc1Cl ZINC000851820172 588633396 /nfs/dbraw/zinc/63/33/96/588633396.db2.gz SPZATQBVENGXDK-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO CC[C@H](C)[C@@H](C)[NH2+]CC(F)(F)Br ZINC000851903497 588642093 /nfs/dbraw/zinc/64/20/93/588642093.db2.gz PGLAJHJZHXKPIU-NKWVEPMBSA-N 1 2 244.123 2.998 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccoc1 ZINC000851932591 588645134 /nfs/dbraw/zinc/64/51/34/588645134.db2.gz HUDTZYKOBQFDSK-SECBINFHSA-N 1 2 232.283 2.996 20 0 BFADLO CC[C@]1(C)C[N@H+](CC=C(Cl)Cl)CCO1 ZINC000851971891 588649448 /nfs/dbraw/zinc/64/94/48/588649448.db2.gz LNKDUSLKHWBFRG-SNVBAGLBSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@]1(C)C[N@@H+](CC=C(Cl)Cl)CCO1 ZINC000851971891 588649449 /nfs/dbraw/zinc/64/94/49/588649449.db2.gz LNKDUSLKHWBFRG-SNVBAGLBSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@H+](C/C=C/Cl)[C@H](C)C(=O)OC(C)(C)C ZINC000852306793 588677588 /nfs/dbraw/zinc/67/75/88/588677588.db2.gz RRTFTDYQLMJPCJ-QROSGCPLSA-N 1 2 247.766 2.791 20 0 BFADLO CC[N@@H+](C/C=C/Cl)[C@H](C)C(=O)OC(C)(C)C ZINC000852306793 588677589 /nfs/dbraw/zinc/67/75/89/588677589.db2.gz RRTFTDYQLMJPCJ-QROSGCPLSA-N 1 2 247.766 2.791 20 0 BFADLO C[C@H]([NH2+]C/C=C/Cl)c1cscn1 ZINC000852417109 588681830 /nfs/dbraw/zinc/68/18/30/588681830.db2.gz IWWQXVPKFDJBDN-AIYRYJHASA-N 1 2 202.710 2.546 20 0 BFADLO CCCCOC(=O)[C@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000852682582 588695428 /nfs/dbraw/zinc/69/54/28/588695428.db2.gz FTKHGNICQQEPCF-LBPRGKRZSA-N 1 2 241.375 2.887 20 0 BFADLO Cc1ncc(CNc2ccc([NH+](C)C)cc2C)o1 ZINC000862253861 589197778 /nfs/dbraw/zinc/19/77/78/589197778.db2.gz VDWPODSTXMHTDS-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO CCC[C@H](C)CCCO[NH+]=C(N)[C@@H](C)OC ZINC000863459708 589289896 /nfs/dbraw/zinc/28/98/96/589289896.db2.gz QZWMQGHYLLZSOY-WDEREUQCSA-N 1 2 230.352 2.736 20 0 BFADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000863470464 589291243 /nfs/dbraw/zinc/29/12/43/589291243.db2.gz BNHYVGJVGOJVTR-GXSJLCMTSA-N 1 2 236.290 2.523 20 0 BFADLO CCCCCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863476873 589292236 /nfs/dbraw/zinc/29/22/36/589292236.db2.gz AXSQCLPHRZSSST-UHFFFAOYSA-N 1 2 228.336 2.634 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2C[C@H]2c2ccsc2)n1 ZINC000863655272 589308360 /nfs/dbraw/zinc/30/83/60/589308360.db2.gz CTMWMQRSRSZZDU-VHSXEESVSA-N 1 2 249.339 2.512 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000863983613 589333395 /nfs/dbraw/zinc/33/33/95/589333395.db2.gz JPNAIUQJVOIYIK-KGLIPLIRSA-N 1 2 245.301 2.525 20 0 BFADLO Cc1c[nH]c(C[NH+]2CC([C@H]3CCC[C@@H](C)C3)C2)n1 ZINC000864055892 589336293 /nfs/dbraw/zinc/33/62/93/589336293.db2.gz ZZGZAHPWLYWXRE-YPMHNXCESA-N 1 2 247.386 2.976 20 0 BFADLO C[C@@H](O)c1ccc(N(C)C[C@H]2CC2(C)C)[nH+]c1 ZINC000864088392 589343082 /nfs/dbraw/zinc/34/30/82/589343082.db2.gz AMPOEQKRYWPTBE-ZYHUDNBSSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1ccc(NC[C@]2(C)C[C@H]3C[C@H]3C2)[nH+]c1 ZINC000864091987 589343789 /nfs/dbraw/zinc/34/37/89/589343789.db2.gz ULASWGIQUITNMU-IKVITTDRSA-N 1 2 246.354 2.983 20 0 BFADLO C[C@H](O)c1ccc(NC[C@]2(C)C[C@H]3C[C@H]3C2)[nH+]c1 ZINC000864091985 589344033 /nfs/dbraw/zinc/34/40/33/589344033.db2.gz ULASWGIQUITNMU-DNVSUFBTSA-N 1 2 246.354 2.983 20 0 BFADLO CC(C)(C)c1cn(C[C@H]2CCCCO2)c[nH+]1 ZINC000865374872 589428104 /nfs/dbraw/zinc/42/81/04/589428104.db2.gz NEKAHUNMJOIFMK-LLVKDONJSA-N 1 2 222.332 2.750 20 0 BFADLO Cc1nc(Cn2c[nH+]c(C(C)(C)C)c2)oc1C ZINC000865375894 589428196 /nfs/dbraw/zinc/42/81/96/589428196.db2.gz PMVDRMZXOWMZHM-UHFFFAOYSA-N 1 2 233.315 2.834 20 0 BFADLO CC(C)(C)c1cn(Cc2ccccn2)c[nH+]1 ZINC000865376047 589428541 /nfs/dbraw/zinc/42/85/41/589428541.db2.gz WVIMWFIAFDDVOB-UHFFFAOYSA-N 1 2 215.300 2.624 20 0 BFADLO CCOCCNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865448615 589436752 /nfs/dbraw/zinc/43/67/52/589436752.db2.gz KAANACYULMOVCC-UHFFFAOYSA-N 1 2 248.248 2.857 20 0 BFADLO Cc1cc[nH+]cc1NCc1cn(C2CC2)cn1 ZINC000865505239 589441872 /nfs/dbraw/zinc/44/18/72/589441872.db2.gz CBOMRISPUBBHFK-UHFFFAOYSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NCC(C)(C)O ZINC000865506997 589442078 /nfs/dbraw/zinc/44/20/78/589442078.db2.gz IPQAEYCLAZZMQS-UHFFFAOYSA-N 1 2 248.248 2.592 20 0 BFADLO Fc1cccc2cc(C[NH2+]CC(F)F)cnc12 ZINC000865563907 589446767 /nfs/dbraw/zinc/44/67/67/589446767.db2.gz CXTGDIPDCHRRSD-UHFFFAOYSA-N 1 2 240.228 2.729 20 0 BFADLO CN(c1[nH+]cnc2[nH]c(Cl)cc21)C1CCC1 ZINC000865562355 589446839 /nfs/dbraw/zinc/44/68/39/589446839.db2.gz DOBSPWIIHHGKQE-UHFFFAOYSA-N 1 2 236.706 2.552 20 0 BFADLO CN(C)c1ccc(F)cc1C[NH2+]CC(C)(F)F ZINC000865579806 589448334 /nfs/dbraw/zinc/44/83/34/589448334.db2.gz GBTBGLFLENUORU-UHFFFAOYSA-N 1 2 246.276 2.637 20 0 BFADLO CC(C)Cc1cc(NC[C@]2(C)CCCO2)nc[nH+]1 ZINC000865604919 589450586 /nfs/dbraw/zinc/45/05/86/589450586.db2.gz ZDCFVYQSERBMDN-AWEZNQCLSA-N 1 2 249.358 2.656 20 0 BFADLO CC1=CCN(c2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865642427 589454247 /nfs/dbraw/zinc/45/42/47/589454247.db2.gz WGADIGDNGAWZKR-UHFFFAOYSA-N 1 2 248.717 2.719 20 0 BFADLO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cscn1 ZINC000865699567 589457200 /nfs/dbraw/zinc/45/72/00/589457200.db2.gz VTDFUWDDSSHSAJ-ZJUUUORDSA-N 1 2 214.309 2.513 20 0 BFADLO CC[C@@H](CO)Nc1[nH+]cc(C(F)(F)F)cc1C ZINC000865710453 589457651 /nfs/dbraw/zinc/45/76/51/589457651.db2.gz UGLCSKGHPQCSPS-VIFPVBQESA-N 1 2 248.248 2.592 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NCCCCO ZINC000865732785 589458757 /nfs/dbraw/zinc/45/87/57/589458757.db2.gz JUGDFRDRNZZMQL-UHFFFAOYSA-N 1 2 248.248 2.593 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CCC3(CC3)C2)[nH]1 ZINC000865757221 589461225 /nfs/dbraw/zinc/46/12/25/589461225.db2.gz NCAVMYDOZCQVPU-UHFFFAOYSA-N 1 2 248.717 2.553 20 0 BFADLO C[C@@H](O)c1ccc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]c1 ZINC000865890646 589467491 /nfs/dbraw/zinc/46/74/91/589467491.db2.gz XPHVSHDUQRETTP-SWHYSGLUSA-N 1 2 246.354 2.983 20 0 BFADLO CC[C@@H](O)CNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865942935 589469659 /nfs/dbraw/zinc/46/96/59/589469659.db2.gz XRSPIORDMDLDNH-SECBINFHSA-N 1 2 248.248 2.592 20 0 BFADLO CC(C)(F)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865986852 589471232 /nfs/dbraw/zinc/47/12/32/589471232.db2.gz NFARPBFEWWPNTM-UHFFFAOYSA-N 1 2 242.685 2.771 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000866042789 589473455 /nfs/dbraw/zinc/47/34/55/589473455.db2.gz FGFZZGUSVGRIJT-OUAUKWLOSA-N 1 2 235.331 2.578 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000866042787 589473459 /nfs/dbraw/zinc/47/34/59/589473459.db2.gz FGFZZGUSVGRIJT-GMTAPVOTSA-N 1 2 235.331 2.578 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2CCCC[C@@H]2F)[nH+]c1 ZINC000866044909 589473710 /nfs/dbraw/zinc/47/37/10/589473710.db2.gz DRKOHSOJNNNKCB-ZMLRMANQSA-N 1 2 238.306 2.828 20 0 BFADLO c1ccc(NC[C@@H]2CCC23CCOCC3)[nH+]c1 ZINC000866173807 589479047 /nfs/dbraw/zinc/47/90/47/589479047.db2.gz CMBNFFZBNLOKGX-LBPRGKRZSA-N 1 2 232.327 2.700 20 0 BFADLO CC[C@@H](C[C@H](C)O)Nc1cc[nH+]c(C(C)C)n1 ZINC000866298610 589484647 /nfs/dbraw/zinc/48/46/47/589484647.db2.gz BDPGRKFDXGENHL-QWRGUYRKSA-N 1 2 237.347 2.561 20 0 BFADLO CC[N@H+](C)[C@@H](C(=O)OCC(C)C)c1ccccc1 ZINC000121783121 589532069 /nfs/dbraw/zinc/53/20/69/589532069.db2.gz OWSGUQDZPOJNFC-CQSZACIVSA-N 1 2 249.354 2.879 20 0 BFADLO CC[N@@H+](C)[C@@H](C(=O)OCC(C)C)c1ccccc1 ZINC000121783121 589532070 /nfs/dbraw/zinc/53/20/70/589532070.db2.gz OWSGUQDZPOJNFC-CQSZACIVSA-N 1 2 249.354 2.879 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1cccnc1Cl ZINC000122427860 589588981 /nfs/dbraw/zinc/58/89/81/589588981.db2.gz FULZXXSAKNSVQF-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ccon2)o1 ZINC000122441827 589591398 /nfs/dbraw/zinc/59/13/98/589591398.db2.gz DLAIZELYBITAFQ-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)CC2CCC2)c1 ZINC000122984053 589647502 /nfs/dbraw/zinc/64/75/02/589647502.db2.gz SEYHKMPMCGQDDA-UHFFFAOYSA-N 1 2 249.310 2.632 20 0 BFADLO C/C=C\CSCc1[nH+]ccn1CC(F)F ZINC000871697913 589793717 /nfs/dbraw/zinc/79/37/17/589793717.db2.gz BWSFHGRMQZWDIN-IHWYPQMZSA-N 1 2 232.299 2.958 20 0 BFADLO C/C=C/CSCc1[nH+]ccn1CC(F)F ZINC000871697914 589793862 /nfs/dbraw/zinc/79/38/62/589793862.db2.gz BWSFHGRMQZWDIN-NSCUHMNNSA-N 1 2 232.299 2.958 20 0 BFADLO CC[C@@H]([NH2+]Cc1nonc1C)c1ccc(F)cc1 ZINC000871937529 589835060 /nfs/dbraw/zinc/83/50/60/589835060.db2.gz FXIKJDNYDGZHAC-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2nonc2C)cs1 ZINC000872135004 589878289 /nfs/dbraw/zinc/87/82/89/589878289.db2.gz BRUUBSMZONMSDU-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@@H]([NH2+]Cc1nonc1C)c1cccc(F)c1 ZINC000872137741 589879727 /nfs/dbraw/zinc/87/97/27/589879727.db2.gz VWQQCJFBNRYICM-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO O[C@H]1C[C@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000872719363 589964766 /nfs/dbraw/zinc/96/47/66/589964766.db2.gz NOGQZKHJYOKKJH-OTCDBFHCSA-N 1 2 246.285 2.557 20 0 BFADLO C[C@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000872729978 589965375 /nfs/dbraw/zinc/96/53/75/589965375.db2.gz DLDDIFJOACLSNI-JTQLQIEISA-N 1 2 230.233 2.860 20 0 BFADLO CCCN(c1ccc([C@@H](C)O)c[nH+]1)C1CC1 ZINC000124905666 590098287 /nfs/dbraw/zinc/09/82/87/590098287.db2.gz WIEMMYHNPIYRSJ-SNVBAGLBSA-N 1 2 220.316 2.514 20 0 BFADLO CCC[C@@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124918089 590099245 /nfs/dbraw/zinc/09/92/45/590099245.db2.gz GHJIQNFOWFXHCJ-GHMZBOCLSA-N 1 2 222.332 2.760 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccoc2)s1 ZINC000125188953 590150152 /nfs/dbraw/zinc/15/01/52/590150152.db2.gz IPKMMQDILRHNRK-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CC[N@H+](C)Cc1c(Cl)cncc1Cl ZINC000876562243 590216483 /nfs/dbraw/zinc/21/64/83/590216483.db2.gz WYMAKFPQZXCFSF-UHFFFAOYSA-N 1 2 219.115 2.840 20 0 BFADLO CC[N@@H+](C)Cc1c(Cl)cncc1Cl ZINC000876562243 590216484 /nfs/dbraw/zinc/21/64/84/590216484.db2.gz WYMAKFPQZXCFSF-UHFFFAOYSA-N 1 2 219.115 2.840 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccns2)no1 ZINC000876592826 590219161 /nfs/dbraw/zinc/21/91/61/590219161.db2.gz RJWDPGVLCXJERH-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccns2)no1 ZINC000876592826 590219162 /nfs/dbraw/zinc/21/91/62/590219162.db2.gz RJWDPGVLCXJERH-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1[nH+]cccc1NC[C@@H]1CC1(Cl)Cl ZINC000877115542 590288067 /nfs/dbraw/zinc/28/80/67/590288067.db2.gz KDPUWKPRHXGOIO-QMMMGPOBSA-N 1 2 231.126 2.996 20 0 BFADLO CC1C[NH+](Cc2c(Cl)cncc2Cl)C1 ZINC000877487501 590338379 /nfs/dbraw/zinc/33/83/79/590338379.db2.gz GICSSIWNVDHKQT-UHFFFAOYSA-N 1 2 231.126 2.840 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(Cl)cs1 ZINC000877488151 590339122 /nfs/dbraw/zinc/33/91/22/590339122.db2.gz YPOWZOSFEGHVLD-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(Cl)cs1 ZINC000877488151 590339125 /nfs/dbraw/zinc/33/91/25/590339125.db2.gz YPOWZOSFEGHVLD-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO Fc1cc(C[N@@H+]2CC[C@H]2C2CC2)cnc1Cl ZINC000877562643 590359881 /nfs/dbraw/zinc/35/98/81/590359881.db2.gz YIFOPLKPJORCPB-NSHDSACASA-N 1 2 240.709 2.858 20 0 BFADLO Fc1cc(C[N@H+]2CC[C@H]2C2CC2)cnc1Cl ZINC000877562643 590359883 /nfs/dbraw/zinc/35/98/83/590359883.db2.gz YIFOPLKPJORCPB-NSHDSACASA-N 1 2 240.709 2.858 20 0 BFADLO CS[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877563637 590360936 /nfs/dbraw/zinc/36/09/36/590360936.db2.gz PSBICQLFELWAPK-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877563637 590360938 /nfs/dbraw/zinc/36/09/38/590360938.db2.gz PSBICQLFELWAPK-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000877635699 590380772 /nfs/dbraw/zinc/38/07/72/590380772.db2.gz BSVALQODZFPBGN-YUMQZZPRSA-N 1 2 228.748 2.638 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000877635699 590380774 /nfs/dbraw/zinc/38/07/74/590380774.db2.gz BSVALQODZFPBGN-YUMQZZPRSA-N 1 2 228.748 2.638 20 0 BFADLO CC1(F)CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000877700648 590394878 /nfs/dbraw/zinc/39/48/78/590394878.db2.gz RXEXZSMPJZBHEW-UHFFFAOYSA-N 1 2 244.260 2.684 20 0 BFADLO Cc1cc(Cn2c[nH+]c(C(C)(C)C)c2)c(C)nn1 ZINC000877891413 590440972 /nfs/dbraw/zinc/44/09/72/590440972.db2.gz PEQHVSWSTDXSTA-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccccc1 ZINC000877933585 590451327 /nfs/dbraw/zinc/45/13/27/590451327.db2.gz OQPVXCBQVVUWTM-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccccc1 ZINC000877933585 590451328 /nfs/dbraw/zinc/45/13/28/590451328.db2.gz OQPVXCBQVVUWTM-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1conc1C[N@H+](Cc1ccccn1)C(C)C ZINC000877977260 590464171 /nfs/dbraw/zinc/46/41/71/590464171.db2.gz VPDUWMPVJOJYFB-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1conc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000877977260 590464172 /nfs/dbraw/zinc/46/41/72/590464172.db2.gz VPDUWMPVJOJYFB-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1nocc1C ZINC000878037203 590476832 /nfs/dbraw/zinc/47/68/32/590476832.db2.gz VGSXKMRUENUSLK-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1nocc1C ZINC000878037203 590476833 /nfs/dbraw/zinc/47/68/33/590476833.db2.gz VGSXKMRUENUSLK-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nocc2C)s1 ZINC000878045019 590479842 /nfs/dbraw/zinc/47/98/42/590479842.db2.gz UAXVJRHRDRLUGQ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nocc2C)s1 ZINC000878045019 590479843 /nfs/dbraw/zinc/47/98/43/590479843.db2.gz UAXVJRHRDRLUGQ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO c1cn(C[C@@H]2CC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000878207558 590524191 /nfs/dbraw/zinc/52/41/91/590524191.db2.gz KPWXEPLCOPWAEF-UONOGXRCSA-N 1 2 228.295 2.803 20 0 BFADLO CC1(C)CCC[C@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000878378538 590556773 /nfs/dbraw/zinc/55/67/73/590556773.db2.gz BAMNANNSOFWPLV-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)CCC[C@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000878378538 590556774 /nfs/dbraw/zinc/55/67/74/590556774.db2.gz BAMNANNSOFWPLV-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)CCC[C@@H](C[N@@H+]2CCC(F)(F)C2)O1 ZINC000878378537 590556796 /nfs/dbraw/zinc/55/67/96/590556796.db2.gz BAMNANNSOFWPLV-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)CCC[C@@H](C[N@H+]2CCC(F)(F)C2)O1 ZINC000878378537 590556798 /nfs/dbraw/zinc/55/67/98/590556798.db2.gz BAMNANNSOFWPLV-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](CCO)c1cccs1 ZINC000878412817 590562630 /nfs/dbraw/zinc/56/26/30/590562630.db2.gz ZSMRLNWIQWMKQH-VIFPVBQESA-N 1 2 249.326 2.807 20 0 BFADLO CC[C@H]([NH2+]Cc1nocc1C)c1c(C)noc1C ZINC000878412900 590562730 /nfs/dbraw/zinc/56/27/30/590562730.db2.gz BDWAPNYQHAVTBH-NSHDSACASA-N 1 2 249.314 2.829 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc2c(o1)CCCC2 ZINC000878533962 590588063 /nfs/dbraw/zinc/58/80/63/590588063.db2.gz UQSSXHOUAWWKSX-UWVGGRQHSA-N 1 2 220.316 2.536 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000878550703 590590379 /nfs/dbraw/zinc/59/03/79/590590379.db2.gz BMEWDRXFJIIHQB-NSHDSACASA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000878550703 590590381 /nfs/dbraw/zinc/59/03/81/590590381.db2.gz BMEWDRXFJIIHQB-NSHDSACASA-N 1 2 240.297 2.916 20 0 BFADLO C[C@H]1C[N@H+](Cc2scnc2Cl)[C@H]1C ZINC000878653077 590602640 /nfs/dbraw/zinc/60/26/40/590602640.db2.gz ZVOXIDRANQOKQD-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@H]1C[N@@H+](Cc2scnc2Cl)[C@H]1C ZINC000878653077 590602641 /nfs/dbraw/zinc/60/26/41/590602641.db2.gz ZVOXIDRANQOKQD-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1cc[nH+]cc1C ZINC000878769880 590620474 /nfs/dbraw/zinc/62/04/74/590620474.db2.gz SOIWSFSHSACAQL-IUODEOHRSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1cc(C[N@@H+]2CCC=C(Cl)C2)ccn1 ZINC000878790763 590622687 /nfs/dbraw/zinc/62/26/87/590622687.db2.gz UZAVBEZYOBSSPQ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cc(C[N@H+]2CCC=C(Cl)C2)ccn1 ZINC000878790763 590622688 /nfs/dbraw/zinc/62/26/88/590622688.db2.gz UZAVBEZYOBSSPQ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878803601 590625016 /nfs/dbraw/zinc/62/50/16/590625016.db2.gz DUQNMJYIEDJXLL-NSHDSACASA-N 1 2 245.313 2.677 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000878803601 590625018 /nfs/dbraw/zinc/62/50/18/590625018.db2.gz DUQNMJYIEDJXLL-NSHDSACASA-N 1 2 245.313 2.677 20 0 BFADLO ClC(Cl)=CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876871 590638047 /nfs/dbraw/zinc/63/80/47/590638047.db2.gz WKWFEJQRHWTKIO-VIFPVBQESA-N 1 2 246.141 2.866 20 0 BFADLO ClC(Cl)=CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876871 590638050 /nfs/dbraw/zinc/63/80/50/590638050.db2.gz WKWFEJQRHWTKIO-VIFPVBQESA-N 1 2 246.141 2.866 20 0 BFADLO Cc1ccc(NC(=O)NC[C@@H]2C=CCC2)c(C)[nH+]1 ZINC000878909587 590644612 /nfs/dbraw/zinc/64/46/12/590644612.db2.gz VGIFHFXPYKKTQH-GFCCVEGCSA-N 1 2 245.326 2.786 20 0 BFADLO C=C/C=C\CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000878909138 590645745 /nfs/dbraw/zinc/64/57/45/590645745.db2.gz LHGVFFSFYFZQCC-WAYWQWQTSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1conc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000879052752 590686970 /nfs/dbraw/zinc/68/69/70/590686970.db2.gz FPXQKKPCEFBXJY-VIFPVBQESA-N 1 2 230.258 2.603 20 0 BFADLO Cc1conc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000879052752 590686974 /nfs/dbraw/zinc/68/69/74/590686974.db2.gz FPXQKKPCEFBXJY-VIFPVBQESA-N 1 2 230.258 2.603 20 0 BFADLO CO[C@@H]1CC[C@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000879321812 590741815 /nfs/dbraw/zinc/74/18/15/590741815.db2.gz OSKXUNUJJMCFHY-FBACALJWSA-N 1 2 238.158 2.805 20 0 BFADLO CO[C@@H]1CC[C@H](C)[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000879321812 590741819 /nfs/dbraw/zinc/74/18/19/590741819.db2.gz OSKXUNUJJMCFHY-FBACALJWSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000879749892 590862497 /nfs/dbraw/zinc/86/24/97/590862497.db2.gz KUVMEQJBXQLRFJ-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000879749892 590862500 /nfs/dbraw/zinc/86/25/00/590862500.db2.gz KUVMEQJBXQLRFJ-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Fc1cc(C[NH+]2CCC(F)CC2)cnc1Cl ZINC000880239598 590972351 /nfs/dbraw/zinc/97/23/51/590972351.db2.gz NFVYKBUARWDXRD-UHFFFAOYSA-N 1 2 246.688 2.808 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ncccn1 ZINC000880376249 591016481 /nfs/dbraw/zinc/01/64/81/591016481.db2.gz DGZPIQYNODLCIL-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ncccn1 ZINC000880376249 591016484 /nfs/dbraw/zinc/01/64/84/591016484.db2.gz DGZPIQYNODLCIL-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO CC(=O)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000211205052 591147476 /nfs/dbraw/zinc/14/74/76/591147476.db2.gz BFKBKZIJSRWZRW-UXBLZVDNSA-N 1 2 236.142 2.606 20 0 BFADLO Cc1[nH+]cnc(N(C)Cc2ccccc2)c1C ZINC000881734924 591267959 /nfs/dbraw/zinc/26/79/59/591267959.db2.gz XPALMTIPVPEGOO-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@H](C)CC2)c1C ZINC000881858894 591275421 /nfs/dbraw/zinc/27/54/21/591275421.db2.gz QBAIANFLQLYMOS-JTQLQIEISA-N 1 2 219.332 2.720 20 0 BFADLO CCCNc1cc(N(C)Cc2ccco2)nc[nH+]1 ZINC000129312014 591276593 /nfs/dbraw/zinc/27/65/93/591276593.db2.gz CFDBWUPKTBTUTK-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO CCCNc1cc(N(C)Cc2ccco2)[nH+]cn1 ZINC000129312014 591276594 /nfs/dbraw/zinc/27/65/94/591276594.db2.gz CFDBWUPKTBTUTK-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCC[C@@H]2C)c1C ZINC000881923459 591278855 /nfs/dbraw/zinc/27/88/55/591278855.db2.gz KQEDWAJLPNWRCP-KWQFWETISA-N 1 2 205.305 2.694 20 0 BFADLO CS[C@@H]1CC[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882028562 591288819 /nfs/dbraw/zinc/28/88/19/591288819.db2.gz XXXMINLPGAATFT-WDEREUQCSA-N 1 2 237.372 2.789 20 0 BFADLO CS[C@@H]1CC[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882028559 591288840 /nfs/dbraw/zinc/28/88/40/591288840.db2.gz XXXMINLPGAATFT-GHMZBOCLSA-N 1 2 237.372 2.789 20 0 BFADLO C[C@@H](CCO)CNc1cc2ccc(F)cc2c[nH+]1 ZINC000882036213 591290238 /nfs/dbraw/zinc/29/02/38/591290238.db2.gz WHBBCQNMPWZAHX-JTQLQIEISA-N 1 2 248.301 2.804 20 0 BFADLO CCC1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882063814 591294146 /nfs/dbraw/zinc/29/41/46/591294146.db2.gz YFWHMQRINARYIR-UHFFFAOYSA-N 1 2 205.305 2.696 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H](C(C)C)C2)c1C ZINC000882078280 591294311 /nfs/dbraw/zinc/29/43/11/591294311.db2.gz QJUMLCHSBNQZIK-LBPRGKRZSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(NC[C@@]2(C)CCCS2)c1C ZINC000882086117 591295166 /nfs/dbraw/zinc/29/51/66/591295166.db2.gz SXVUODJFQXFPEA-GFCCVEGCSA-N 1 2 237.372 2.791 20 0 BFADLO Cc1[nH+]cnc(N2CCCC[C@@H](C)C2)c1C ZINC000882201365 591315343 /nfs/dbraw/zinc/31/53/43/591315343.db2.gz QKFJQEGYZKGTBW-SNVBAGLBSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CC[C@@H](C)C2)c1C ZINC000882229496 591318238 /nfs/dbraw/zinc/31/82/38/591318238.db2.gz MXKIFNFDUDGWBG-KCJUWKMLSA-N 1 2 205.305 2.694 20 0 BFADLO CSC1(CNc2nc[nH+]c(C)c2C)CCC1 ZINC000882278243 591325600 /nfs/dbraw/zinc/32/56/00/591325600.db2.gz WTNODBPBXVBJBY-UHFFFAOYSA-N 1 2 237.372 2.791 20 0 BFADLO Cc1[nH+]cnc(N2CC(C3CCCC3)C2)c1C ZINC000882288784 591326716 /nfs/dbraw/zinc/32/67/16/591326716.db2.gz OJLSHDGOJRZZTF-UHFFFAOYSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1[nH+]cnc(N2CCC(C3CC3)CC2)c1C ZINC000882393524 591342827 /nfs/dbraw/zinc/34/28/27/591342827.db2.gz ZPNXYDVFEJJORN-UHFFFAOYSA-N 1 2 231.343 2.720 20 0 BFADLO CC[C@H](C)[C@@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882407911 591344424 /nfs/dbraw/zinc/34/44/24/591344424.db2.gz GMVFEHJQUSXZOJ-JOYOIKCWSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1cc(C)c(CNc2ncnc(C)c2C)c[nH+]1 ZINC000882432247 591347787 /nfs/dbraw/zinc/34/77/87/591347787.db2.gz OUCYZDIHLZSDGN-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO CCc1cc(N[C@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000129648458 591347911 /nfs/dbraw/zinc/34/79/11/591347911.db2.gz ONYROVHIKGMJPB-ONGXEEELSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1C ZINC000882444341 591349520 /nfs/dbraw/zinc/34/95/20/591349520.db2.gz LZZSYMYSYRKDDA-GRYCIOLGSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCCC[C@H]2F)c1C ZINC000882459773 591351467 /nfs/dbraw/zinc/35/14/67/591351467.db2.gz NDDIJXLMGYCOLY-GHMZBOCLSA-N 1 2 223.295 2.786 20 0 BFADLO CC(C)(Nc1nc(Cl)cs1)c1[nH]cc[nH+]1 ZINC000882625574 591402336 /nfs/dbraw/zinc/40/23/36/591402336.db2.gz CWQXVBRMFYTHNE-UHFFFAOYSA-N 1 2 242.735 2.867 20 0 BFADLO CCC[C@H](CNc1nc[nH+]c(C)c1C)OCC ZINC000882648836 591406862 /nfs/dbraw/zinc/40/68/62/591406862.db2.gz PJLFARTZXFBKPF-GFCCVEGCSA-N 1 2 237.347 2.711 20 0 BFADLO O[C@H]1C[C@@H](CNc2cc3ccc(F)cc3c[nH+]2)C1 ZINC000882662702 591408271 /nfs/dbraw/zinc/40/82/71/591408271.db2.gz VBFMGYYUMPVQQC-SWZMTVOYSA-N 1 2 246.285 2.557 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H]2C=CCC2)[nH+]1 ZINC000882757342 591430740 /nfs/dbraw/zinc/43/07/40/591430740.db2.gz DVWODULFWVTSOH-SNVBAGLBSA-N 1 2 228.299 2.644 20 0 BFADLO FC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000882801031 591442340 /nfs/dbraw/zinc/44/23/40/591442340.db2.gz BAXYOWMIBGGDAA-JTQLQIEISA-N 1 2 235.306 2.540 20 0 BFADLO FC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000882801032 591443009 /nfs/dbraw/zinc/44/30/09/591443009.db2.gz BAXYOWMIBGGDAA-SNVBAGLBSA-N 1 2 235.306 2.540 20 0 BFADLO Cc1nc(N2CCC[C@H](CF)C2)c(C)c(C)[nH+]1 ZINC000882801345 591443393 /nfs/dbraw/zinc/44/33/93/591443393.db2.gz NIJYFLBDCQEWTE-GFCCVEGCSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1nc(N2CCC[C@@H](CF)C2)c(C)c(C)[nH+]1 ZINC000882801346 591443411 /nfs/dbraw/zinc/44/34/11/591443411.db2.gz NIJYFLBDCQEWTE-LBPRGKRZSA-N 1 2 237.322 2.588 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC(F)CC1 ZINC000882806169 591445677 /nfs/dbraw/zinc/44/56/77/591445677.db2.gz NYBUKHFBPYJBBW-UHFFFAOYSA-N 1 2 233.290 2.512 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H](c2nccs2)C1 ZINC000882855797 591455178 /nfs/dbraw/zinc/45/51/78/591455178.db2.gz SSSCTWWXOJCFAC-VIFPVBQESA-N 1 2 249.314 2.671 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H](c2nccs2)C1 ZINC000882855796 591455611 /nfs/dbraw/zinc/45/56/11/591455611.db2.gz SSSCTWWXOJCFAC-SECBINFHSA-N 1 2 249.314 2.671 20 0 BFADLO C[C@H](O)c1ccc(N2CCCCCCC2)[nH+]c1 ZINC000213226961 591455963 /nfs/dbraw/zinc/45/59/63/591455963.db2.gz MZPHLEAGWHZDLN-LBPRGKRZSA-N 1 2 234.343 2.905 20 0 BFADLO C[C@H](O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c1 ZINC000213233280 591455992 /nfs/dbraw/zinc/45/59/92/591455992.db2.gz CYNWHPGPUMLPJW-UTUOFQBUSA-N 1 2 234.343 2.617 20 0 BFADLO CCCCc1cc(N[C@H]2C[C@@H](COC)C2)nc[nH+]1 ZINC000882906579 591473565 /nfs/dbraw/zinc/47/35/65/591473565.db2.gz NBNHUUHBSBYCGN-BJHJDKERSA-N 1 2 249.358 2.656 20 0 BFADLO C=C/C=C/CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000882973577 591489077 /nfs/dbraw/zinc/48/90/77/591489077.db2.gz CMMLDEOWKPKQMF-SYTKJHMZSA-N 1 2 240.347 2.678 20 0 BFADLO CCc1cc(N[C@@H]2CCC[C@]23CCCO3)nc[nH+]1 ZINC000882982150 591492191 /nfs/dbraw/zinc/49/21/91/591492191.db2.gz DJOOIURIEBDMBO-OCCSQVGLSA-N 1 2 247.342 2.553 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C(F)F)cc[nH+]1 ZINC000883018681 591517090 /nfs/dbraw/zinc/51/70/90/591517090.db2.gz LOCMPAFBFQNNGD-ZETCQYMHSA-N 1 2 215.247 2.666 20 0 BFADLO CC(C)c1c[nH]c(CNc2cccnc2)[nH+]1 ZINC000883032998 591521630 /nfs/dbraw/zinc/52/16/30/591521630.db2.gz AEXYPQIVGRQEAE-UHFFFAOYSA-N 1 2 216.288 2.540 20 0 BFADLO CC(C)c1c[nH]c(CNc2cncc(F)c2)[nH+]1 ZINC000883110205 591541487 /nfs/dbraw/zinc/54/14/87/591541487.db2.gz RIKXXTKORPFMDC-UHFFFAOYSA-N 1 2 234.278 2.679 20 0 BFADLO COc1cncc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000883193140 591568080 /nfs/dbraw/zinc/56/80/80/591568080.db2.gz PJFWKUXNYKPQCV-UHFFFAOYSA-N 1 2 246.314 2.549 20 0 BFADLO CCSc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000883236020 591582810 /nfs/dbraw/zinc/58/28/10/591582810.db2.gz PSRWHIFEJDYXEV-UHFFFAOYSA-N 1 2 247.367 2.812 20 0 BFADLO Cc1cc(CNc2c[nH+]c(C)c(C)c2)on1 ZINC000883341310 591620257 /nfs/dbraw/zinc/62/02/57/591620257.db2.gz NFXAFQFJUJRPTQ-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)c[nH+]c1C ZINC000883341297 591620269 /nfs/dbraw/zinc/62/02/69/591620269.db2.gz MRNWPFXUSWJVTR-SUZMYJTESA-N 1 2 220.316 2.676 20 0 BFADLO Cc1cc(N[C@H](C)C[C@H]2CCOC2)c[nH+]c1C ZINC000883341881 591620373 /nfs/dbraw/zinc/62/03/73/591620373.db2.gz CQMOGROZUQBRHU-DGCLKSJQSA-N 1 2 234.343 2.925 20 0 BFADLO COCC[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883341102 591620538 /nfs/dbraw/zinc/62/05/38/591620538.db2.gz IJDMDMIWMKEBLK-SNVBAGLBSA-N 1 2 208.305 2.535 20 0 BFADLO Cc1cc(N[C@@H](C)c2cnn(C)c2)c[nH+]c1C ZINC000883342018 591622188 /nfs/dbraw/zinc/62/21/88/591622188.db2.gz HSZZUIMCWUMVLQ-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)c[nH+]c1C ZINC000883342848 591622807 /nfs/dbraw/zinc/62/28/07/591622807.db2.gz OEKSPIDWPPJLBB-GXFFZTMASA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)n(C)n1 ZINC000883342840 591623136 /nfs/dbraw/zinc/62/31/36/591623136.db2.gz NVUODVFPHGPMAH-GFCCVEGCSA-N 1 2 244.342 2.913 20 0 BFADLO Cc1cc(N[C@H](C)c2ccnn2C)c[nH+]c1C ZINC000883342996 591623250 /nfs/dbraw/zinc/62/32/50/591623250.db2.gz VSZBCKALZVBBPQ-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccnn2C)c[nH+]c1C ZINC000883342997 591623394 /nfs/dbraw/zinc/62/33/94/591623394.db2.gz VSZBCKALZVBBPQ-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)c[nH+]c1C ZINC000883342847 591623523 /nfs/dbraw/zinc/62/35/23/591623523.db2.gz OEKSPIDWPPJLBB-GWCFXTLKSA-N 1 2 220.316 2.535 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@H]1NCc1[nH]cc[nH+]1 ZINC000883382736 591639133 /nfs/dbraw/zinc/63/91/33/591639133.db2.gz MGKLLVDRQCSHGK-TZMCWYRMSA-N 1 2 245.301 2.525 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)C(F)F)cnc1Cl ZINC000883406970 591649594 /nfs/dbraw/zinc/64/95/94/591649594.db2.gz GZNIAQPXDRLFFK-SSDOTTSWSA-N 1 2 234.677 2.787 20 0 BFADLO CC(C)c1nc(N[C@H]2CC[C@H](CO)CC2)cc[nH+]1 ZINC000133563417 591828458 /nfs/dbraw/zinc/82/84/58/591828458.db2.gz AYPMZDRBETZWMH-TXEJJXNPSA-N 1 2 249.358 2.563 20 0 BFADLO CCCOc1ccc([NH2+]CC[C@H](C)O)cc1 ZINC000133608305 591842453 /nfs/dbraw/zinc/84/24/53/591842453.db2.gz ILFRJAYRFNLGKK-NSHDSACASA-N 1 2 223.316 2.658 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(OCCO)cc1 ZINC000134503333 591931553 /nfs/dbraw/zinc/93/15/53/591931553.db2.gz IMPNFYZIGWWADG-LLVKDONJSA-N 1 2 223.316 2.514 20 0 BFADLO CCc1nc(NCCOCC2CCCC2)cc[nH+]1 ZINC000884525727 591966327 /nfs/dbraw/zinc/96/63/27/591966327.db2.gz CGPBGBOONYAGEO-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO CCc1nc(NCCC2CC(F)(F)C2)cc[nH+]1 ZINC000884526264 591966647 /nfs/dbraw/zinc/96/66/47/591966647.db2.gz PDSYOMYFTJLDQL-UHFFFAOYSA-N 1 2 241.285 2.886 20 0 BFADLO CCc1nc(N2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000884537221 591971439 /nfs/dbraw/zinc/97/14/39/591971439.db2.gz UBTVYAUCZLTLAM-GHMZBOCLSA-N 1 2 219.332 2.664 20 0 BFADLO CCc1nc(N[C@H]2C[C@@H](OC(C)(C)C)C2)cc[nH+]1 ZINC000884542791 591973119 /nfs/dbraw/zinc/97/31/19/591973119.db2.gz MSGHCVISYCRSDO-PHIMTYICSA-N 1 2 249.358 2.797 20 0 BFADLO CCc1nc(NC[C@H](OC)C2CCCC2)cc[nH+]1 ZINC000884558778 591979009 /nfs/dbraw/zinc/97/90/09/591979009.db2.gz DIQRUUCKBWTYFQ-LBPRGKRZSA-N 1 2 249.358 2.656 20 0 BFADLO C=C/C=C/CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000884566665 591983137 /nfs/dbraw/zinc/98/31/37/591983137.db2.gz QAOMSODZQGSELK-ZYOFXKKJSA-N 1 2 234.299 2.510 20 0 BFADLO CCc1nc(N[C@]23C[C@H]2CCCC3)cc[nH+]1 ZINC000884570576 591984155 /nfs/dbraw/zinc/98/41/55/591984155.db2.gz SNPPRKGQPOKNAF-ZWNOBZJWSA-N 1 2 217.316 2.784 20 0 BFADLO CCc1nc(N[C@@H](C)c2cnc(C)s2)cc[nH+]1 ZINC000884570812 591984366 /nfs/dbraw/zinc/98/43/66/591984366.db2.gz ZIOAHEAYNVSZEP-QMMMGPOBSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1nc(NCC2(OC(C)C)CCC2)cc[nH+]1 ZINC000884578766 591985894 /nfs/dbraw/zinc/98/58/94/591985894.db2.gz JCUGZRSWSNOJTF-UHFFFAOYSA-N 1 2 249.358 2.799 20 0 BFADLO COc1cccc2c(N3C[C@@H]4C[C@@H]4C3)cc[nH+]c12 ZINC000884589953 591989551 /nfs/dbraw/zinc/98/95/51/591989551.db2.gz MRBDRNSLXXDKMD-PHIMTYICSA-N 1 2 240.306 2.700 20 0 BFADLO Fc1cc2cc[nH+]c(N3C[C@@H]4C[C@@H]4C3)c2cc1F ZINC000884592218 591990407 /nfs/dbraw/zinc/99/04/07/591990407.db2.gz IOEGFSSGTCEIMX-AOOOYVTPSA-N 1 2 246.260 2.969 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1ccc([C@H](C)O)c[nH+]1 ZINC000136288594 592104831 /nfs/dbraw/zinc/10/48/31/592104831.db2.gz DPYOYCKDWIHPRA-GMXVVIOVSA-N 1 2 234.343 2.902 20 0 BFADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000885979946 592120391 /nfs/dbraw/zinc/12/03/91/592120391.db2.gz PWGBDQCLQNFBFB-DZGCQCFKSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000885979946 592120393 /nfs/dbraw/zinc/12/03/93/592120393.db2.gz PWGBDQCLQNFBFB-DZGCQCFKSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1n[nH]c(C[NH2+]C2(C(F)F)CCCC2)c1C ZINC000886118801 592158242 /nfs/dbraw/zinc/15/82/42/592158242.db2.gz PWOZALAWYMWMQT-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(C)co1 ZINC000886133931 592160516 /nfs/dbraw/zinc/16/05/16/592160516.db2.gz FYBJFIUJCBAIHQ-LLVKDONJSA-N 1 2 233.315 2.655 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C)co1 ZINC000886133932 592160821 /nfs/dbraw/zinc/16/08/21/592160821.db2.gz FYBJFIUJCBAIHQ-NSHDSACASA-N 1 2 233.315 2.655 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886266849 592190905 /nfs/dbraw/zinc/19/09/05/592190905.db2.gz AFOJOCPRXJGAAC-NWDGAFQWSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886266849 592190907 /nfs/dbraw/zinc/19/09/07/592190907.db2.gz AFOJOCPRXJGAAC-NWDGAFQWSA-N 1 2 245.313 2.675 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ncco2)s1 ZINC000886273932 592193528 /nfs/dbraw/zinc/19/35/28/592193528.db2.gz JCKFVSOZZQAOLK-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ncco2)ccc1F ZINC000886274381 592194567 /nfs/dbraw/zinc/19/45/67/592194567.db2.gz RNUKXBOIHRZRSH-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ncco1 ZINC000886275481 592195374 /nfs/dbraw/zinc/19/53/74/592195374.db2.gz ANQBLPWULGCWOR-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1)c1ncco1 ZINC000886275625 592195712 /nfs/dbraw/zinc/19/57/12/592195712.db2.gz HGUOLMXYTXBSKA-JTQLQIEISA-N 1 2 202.257 2.525 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCc2cccnc21 ZINC000886579520 592268642 /nfs/dbraw/zinc/26/86/42/592268642.db2.gz WOFKYTPLUOXGIM-NSHDSACASA-N 1 2 241.294 2.585 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ncc[nH]1 ZINC000139043098 592354078 /nfs/dbraw/zinc/35/40/78/592354078.db2.gz WDMZICXKELRQTE-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000302433700 592547329 /nfs/dbraw/zinc/54/73/29/592547329.db2.gz MULLFOANWKALKV-LLVKDONJSA-N 1 2 236.359 2.978 20 0 BFADLO Cc1ccc(N[C@@H]2COCC2(C)C)c(C)[nH+]1 ZINC000312965708 634424445 /nfs/dbraw/zinc/42/44/45/634424445.db2.gz FOUOEQVQYCLYQX-GFCCVEGCSA-N 1 2 220.316 2.535 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccccn2)o1 ZINC000893542471 634605699 /nfs/dbraw/zinc/60/56/99/634605699.db2.gz AZFWKKJZVOYCIT-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccccn2)o1 ZINC000893542471 634605711 /nfs/dbraw/zinc/60/57/11/634605711.db2.gz AZFWKKJZVOYCIT-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(NCc2c[nH+]cn2C)c(F)c1 ZINC000840975053 635603454 /nfs/dbraw/zinc/60/34/54/635603454.db2.gz CDEPRNFBAJYHQX-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO Oc1cccc(/C=[NH+]/CCc2ccccc2)c1O ZINC000022726673 631536349 /nfs/dbraw/zinc/53/63/49/631536349.db2.gz XCRHEIUBCKEGBZ-LFIBNONCSA-N 1 2 241.290 2.759 20 0 BFADLO CCCOc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000093305874 631565952 /nfs/dbraw/zinc/56/59/52/631565952.db2.gz MCVUZOOXQRUWCQ-UHFFFAOYSA-N 1 2 246.310 2.753 20 0 BFADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]1CO ZINC000934013544 631593388 /nfs/dbraw/zinc/59/33/88/631593388.db2.gz IDGQYOUYXXSTQX-BDAKNGLRSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]1CO ZINC000934013544 631593398 /nfs/dbraw/zinc/59/33/98/631593398.db2.gz IDGQYOUYXXSTQX-BDAKNGLRSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000934014543 631598972 /nfs/dbraw/zinc/59/89/72/631598972.db2.gz CXJJAAKPMUBHMY-JTQLQIEISA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000934014543 631598979 /nfs/dbraw/zinc/59/89/79/631598979.db2.gz CXJJAAKPMUBHMY-JTQLQIEISA-N 1 2 246.137 2.560 20 0 BFADLO CC[NH2+]Cc1noc(C(C)(C)c2ccccc2)n1 ZINC000051860579 631972904 /nfs/dbraw/zinc/97/29/04/631972904.db2.gz AXBCSNZCBFMKOT-UHFFFAOYSA-N 1 2 245.326 2.505 20 0 BFADLO Fc1ncccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000309610519 632583463 /nfs/dbraw/zinc/58/34/63/632583463.db2.gz ZHHCKKBXXKEKPY-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OC ZINC000279856400 632633054 /nfs/dbraw/zinc/63/30/54/632633054.db2.gz ITLYEWCZFAQNPT-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000924548511 632811966 /nfs/dbraw/zinc/81/19/66/632811966.db2.gz GVQDCRMQLWYCBF-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO Cl/C=C(\Cl)COc1cc[nH+]cc1 ZINC000308085945 633159073 /nfs/dbraw/zinc/15/90/73/633159073.db2.gz NXSSIOBRMNLCDM-ALCCZGGFSA-N 1 2 204.056 2.779 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894578080 635910868 /nfs/dbraw/zinc/91/08/68/635910868.db2.gz ODORGGDDUCCJHB-VXGBXAGGSA-N 1 2 244.342 2.744 20 0 BFADLO Cc1[nH]nc(C[NH+]2CCC(C3CC3)CC2)c1C ZINC000894836946 635947351 /nfs/dbraw/zinc/94/73/51/635947351.db2.gz KUGKEJJIHQYMPC-UHFFFAOYSA-N 1 2 233.359 2.649 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000893122191 633843093 /nfs/dbraw/zinc/84/30/93/633843093.db2.gz VUOGDNWJSRMWHB-QJPTWQEYSA-N 1 2 246.358 2.533 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@H]3CCCC[C@H]32)[nH+]cn1 ZINC000893122191 633843094 /nfs/dbraw/zinc/84/30/94/633843094.db2.gz VUOGDNWJSRMWHB-QJPTWQEYSA-N 1 2 246.358 2.533 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cncs2)no1 ZINC000309883482 633900992 /nfs/dbraw/zinc/90/09/92/633900992.db2.gz WVVPQBSSMCGZFR-BDAKNGLRSA-N 1 2 237.328 2.851 20 0 BFADLO COc1ccc([NH2+][C@H]2CC[C@H]2C)c(OC)c1 ZINC000309482640 633926340 /nfs/dbraw/zinc/92/63/40/633926340.db2.gz ZXPFDVYHCBBKQY-KOLCDFICSA-N 1 2 221.300 2.914 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1C ZINC000894787804 635924907 /nfs/dbraw/zinc/92/49/07/635924907.db2.gz VZPSWSCAJIQVLF-ZDUSSCGKSA-N 1 2 233.359 2.649 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C3CC3)C2)c1C ZINC000894787804 635924913 /nfs/dbraw/zinc/92/49/13/635924913.db2.gz VZPSWSCAJIQVLF-ZDUSSCGKSA-N 1 2 233.359 2.649 20 0 BFADLO c1ccc(N[C@@H]2CCOC23CCCC3)[nH+]c1 ZINC000897324450 636337329 /nfs/dbraw/zinc/33/73/29/636337329.db2.gz ZOEAOFWRQKGOLU-LLVKDONJSA-N 1 2 218.300 2.595 20 0 BFADLO c1ccc(N[C@H]2CCOC23CCCC3)[nH+]c1 ZINC000897324451 636337892 /nfs/dbraw/zinc/33/78/92/636337892.db2.gz ZOEAOFWRQKGOLU-NSHDSACASA-N 1 2 218.300 2.595 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000925292922 636741775 /nfs/dbraw/zinc/74/17/75/636741775.db2.gz JKNMBRADYVQDBU-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1ccc(Cc2noc([C@@H](C)[NH+](C)C)n2)cc1 ZINC000923808564 637034246 /nfs/dbraw/zinc/03/42/46/637034246.db2.gz VCIUWEZCMXJLDF-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO CNc1cc(N[C@H](C)c2ccccc2)nc[nH+]1 ZINC000128321440 637037467 /nfs/dbraw/zinc/03/74/67/637037467.db2.gz MUTXHBBYUHJZQN-SNVBAGLBSA-N 1 2 228.299 2.691 20 0 BFADLO CNc1cc(N[C@H](C)c2ccccc2)[nH+]cn1 ZINC000128321440 637037473 /nfs/dbraw/zinc/03/74/73/637037473.db2.gz MUTXHBBYUHJZQN-SNVBAGLBSA-N 1 2 228.299 2.691 20 0 BFADLO CC1(C)C[C@@H]1c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923812560 637079226 /nfs/dbraw/zinc/07/92/26/637079226.db2.gz COWZAXDCIFKZGG-IWSPIJDZSA-N 1 2 244.298 2.577 20 0 BFADLO CC[C@@H](C)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268868 637394455 /nfs/dbraw/zinc/39/44/55/637394455.db2.gz LTIADMDOVSSVIU-MRVPVSSYSA-N 1 2 246.314 2.611 20 0 BFADLO COc1ccc(-c2c[nH+]c(C)n2C)c(F)c1 ZINC000904904510 637521106 /nfs/dbraw/zinc/52/11/06/637521106.db2.gz QFERBJSLLGALAE-UHFFFAOYSA-N 1 2 220.247 2.543 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(Cl)ccn1 ZINC000905413726 637801820 /nfs/dbraw/zinc/80/18/20/637801820.db2.gz GAUISPJNMLNFNL-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO Oc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000906167620 638083855 /nfs/dbraw/zinc/08/38/55/638083855.db2.gz AIBYNWJJVLRWCY-UHFFFAOYSA-N 1 2 214.268 2.592 20 0 BFADLO COc1ncc(-c2c[nH+]c3n2CCCC3)cc1C ZINC000906190252 638096395 /nfs/dbraw/zinc/09/63/95/638096395.db2.gz KBCSHSBDQDSBEI-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO COc1ncccc1-c1c[nH+]c(C(C)C)n1C ZINC000906538468 638205832 /nfs/dbraw/zinc/20/58/32/638205832.db2.gz KTNBSZYLYPYTJR-UHFFFAOYSA-N 1 2 231.299 2.614 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000906746491 638238454 /nfs/dbraw/zinc/23/84/54/638238454.db2.gz STCSFGRTLXTGJZ-CYBMUJFWSA-N 1 2 244.338 2.845 20 0 BFADLO Cc1cc(C)c(C(=O)NC2CC(C)C2)c(C)[nH+]1 ZINC000906884652 638268846 /nfs/dbraw/zinc/26/88/46/638268846.db2.gz FABNCLWMCHHKBG-UHFFFAOYSA-N 1 2 232.327 2.535 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000906897299 638272792 /nfs/dbraw/zinc/27/27/92/638272792.db2.gz CAASVAJPUJYCSW-RNCFNFMXSA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC(C(C)C)C2)c(C)[nH+]1 ZINC000907117240 638301667 /nfs/dbraw/zinc/30/16/67/638301667.db2.gz FJSNTDQIDVKTQK-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO CC(C)=CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907689794 638448055 /nfs/dbraw/zinc/44/80/55/638448055.db2.gz YDWWFSMHBUPJPU-UHFFFAOYSA-N 1 2 232.327 2.703 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534398 638530954 /nfs/dbraw/zinc/53/09/54/638530954.db2.gz CKAVLNZHRPBFGK-CHWSQXEVSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000910420957 639442756 /nfs/dbraw/zinc/44/27/56/639442756.db2.gz DVFRSVOLUJXRHK-NSHDSACASA-N 1 2 232.327 2.535 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CC3CCC2CC3)no1 ZINC000930242545 639649004 /nfs/dbraw/zinc/64/90/04/639649004.db2.gz YRTQYQUTYKIDGN-BPCQOVAHSA-N 1 2 249.358 2.636 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CC3CCC2CC3)no1 ZINC000930242545 639649006 /nfs/dbraw/zinc/64/90/06/639649006.db2.gz YRTQYQUTYKIDGN-BPCQOVAHSA-N 1 2 249.358 2.636 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930272953 639674822 /nfs/dbraw/zinc/67/48/22/639674822.db2.gz MUCOXSPKIXCAQU-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930272953 639674830 /nfs/dbraw/zinc/67/48/30/639674830.db2.gz MUCOXSPKIXCAQU-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)[C@H](C)C2)c(C)[nH+]1 ZINC000930512045 639791953 /nfs/dbraw/zinc/79/19/53/639791953.db2.gz BGURODXIVJEVMB-MRVPVSSYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CC[C@@H]2C(F)(F)F)c1 ZINC000930517759 639794230 /nfs/dbraw/zinc/79/42/30/639794230.db2.gz SADLQBGNGCRKRN-LLVKDONJSA-N 1 2 244.260 2.835 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CC[C@H]2C(F)(F)F)c1 ZINC000930517760 639796066 /nfs/dbraw/zinc/79/60/66/639796066.db2.gz SADLQBGNGCRKRN-NSHDSACASA-N 1 2 244.260 2.835 20 0 BFADLO C[C@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000930582966 639813861 /nfs/dbraw/zinc/81/38/61/639813861.db2.gz SBCLXFCCMMUHKQ-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000930582966 639813862 /nfs/dbraw/zinc/81/38/62/639813862.db2.gz SBCLXFCCMMUHKQ-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000930595568 639815521 /nfs/dbraw/zinc/81/55/21/639815521.db2.gz RNQLWESPJOJHLB-ONGXEEELSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000930595568 639815519 /nfs/dbraw/zinc/81/55/19/639815519.db2.gz RNQLWESPJOJHLB-ONGXEEELSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1nnsc1[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930595566 639815743 /nfs/dbraw/zinc/81/57/43/639815743.db2.gz RNQLWESPJOJHLB-MWLCHTKSSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000930595566 639815744 /nfs/dbraw/zinc/81/57/44/639815744.db2.gz RNQLWESPJOJHLB-MWLCHTKSSA-N 1 2 243.351 2.732 20 0 BFADLO CCc1ncc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000930594621 639815895 /nfs/dbraw/zinc/81/58/95/639815895.db2.gz JSNGIZYRVBVYRO-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1ncc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000930594621 639815896 /nfs/dbraw/zinc/81/58/96/639815896.db2.gz JSNGIZYRVBVYRO-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC000930702604 639869544 /nfs/dbraw/zinc/86/95/44/639869544.db2.gz SUAFYPHGLRALEP-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO Fc1cncc(F)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000930895803 639975253 /nfs/dbraw/zinc/97/52/53/639975253.db2.gz XYXNGPJQVMHQHK-ZANVPECISA-N 1 2 238.281 2.734 20 0 BFADLO Fc1cncc(F)c1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000930895803 639975261 /nfs/dbraw/zinc/97/52/61/639975261.db2.gz XYXNGPJQVMHQHK-ZANVPECISA-N 1 2 238.281 2.734 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000931057555 640046216 /nfs/dbraw/zinc/04/62/16/640046216.db2.gz FQQKBKMBTIBZLO-UWVGGRQHSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CC[C@H]3C[C@H]3C2)n1 ZINC000931057555 640046220 /nfs/dbraw/zinc/04/62/20/640046220.db2.gz FQQKBKMBTIBZLO-UWVGGRQHSA-N 1 2 237.372 2.503 20 0 BFADLO c1nnc([C@@H]2CCC[N@H+]2CCC2CCCCC2)[nH]1 ZINC000931139256 640071869 /nfs/dbraw/zinc/07/18/69/640071869.db2.gz AWYMTWNFEUJJBU-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nnc([C@@H]2CCC[N@@H+]2CCC2CCCCC2)[nH]1 ZINC000931139256 640071873 /nfs/dbraw/zinc/07/18/73/640071873.db2.gz AWYMTWNFEUJJBU-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CCC2CCCCC2)n[nH]1 ZINC000931139256 640071876 /nfs/dbraw/zinc/07/18/76/640071876.db2.gz AWYMTWNFEUJJBU-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CCC2CCCCC2)n[nH]1 ZINC000931139256 640071879 /nfs/dbraw/zinc/07/18/79/640071879.db2.gz AWYMTWNFEUJJBU-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CC23CCC(CC2)C3)n[nH]1 ZINC000931140169 640074611 /nfs/dbraw/zinc/07/46/11/640074611.db2.gz HWPQPHLBRHOJGV-LXVYMNJGSA-N 1 2 246.358 2.522 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CC23CCC(CC2)C3)n[nH]1 ZINC000931140169 640074613 /nfs/dbraw/zinc/07/46/13/640074613.db2.gz HWPQPHLBRHOJGV-LXVYMNJGSA-N 1 2 246.358 2.522 20 0 BFADLO c1coc(C2CC[NH+](Cc3nccs3)CC2)n1 ZINC000931447470 640211119 /nfs/dbraw/zinc/21/11/19/640211119.db2.gz SVPNCOCMTKNHOG-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO CC(C)C(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931811904 640372899 /nfs/dbraw/zinc/37/28/99/640372899.db2.gz OTQXJTPIMSIJQC-UHFFFAOYSA-N 1 2 245.326 2.727 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2ccoc2)on1 ZINC000164070242 640440067 /nfs/dbraw/zinc/44/00/67/640440067.db2.gz KIRVRACDSPHPPI-UHFFFAOYSA-N 1 2 220.272 2.681 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCn2cccc2C1 ZINC000932527189 640566242 /nfs/dbraw/zinc/56/62/42/640566242.db2.gz ZEKPFMTVQVVVIG-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCn2cccc2C1 ZINC000932527189 640566249 /nfs/dbraw/zinc/56/62/49/640566249.db2.gz ZEKPFMTVQVVVIG-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(F)cc2C)n1 ZINC000932562419 640576102 /nfs/dbraw/zinc/57/61/02/640576102.db2.gz JZSUQUNGUULDBZ-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C=CCC1 ZINC000932615817 640588118 /nfs/dbraw/zinc/58/81/18/640588118.db2.gz VMGJVZIUELQTOF-CQSZACIVSA-N 1 2 241.294 2.629 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CC(=O)CC[C@H]1C ZINC000932870328 640631408 /nfs/dbraw/zinc/63/14/08/640631408.db2.gz IQBONCVXVIUQGK-CYBMUJFWSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CC(=O)CC[C@H]1C ZINC000932870328 640631410 /nfs/dbraw/zinc/63/14/10/640631410.db2.gz IQBONCVXVIUQGK-CYBMUJFWSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CC(=O)CC[C@@H]1C ZINC000932870329 640631905 /nfs/dbraw/zinc/63/19/05/640631905.db2.gz IQBONCVXVIUQGK-ZDUSSCGKSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CC(=O)CC[C@@H]1C ZINC000932870329 640631907 /nfs/dbraw/zinc/63/19/07/640631907.db2.gz IQBONCVXVIUQGK-ZDUSSCGKSA-N 1 2 231.339 2.857 20 0 BFADLO c1cc(C[NH2+]Cc2nc(C3CC3)cs2)co1 ZINC000166746979 640668363 /nfs/dbraw/zinc/66/83/63/640668363.db2.gz RVYHCKWHBDVNSX-UHFFFAOYSA-N 1 2 234.324 2.903 20 0 BFADLO Fc1ccc(C[N@H+](Cc2ccoc2)C2CC2)nc1 ZINC000934002840 640803935 /nfs/dbraw/zinc/80/39/35/640803935.db2.gz CGEUUYQMLAYSAL-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)nc1 ZINC000934002840 640803939 /nfs/dbraw/zinc/80/39/39/640803939.db2.gz CGEUUYQMLAYSAL-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO COc1ccc[nH+]c1NCCC1CCC1 ZINC000229121488 640923445 /nfs/dbraw/zinc/92/34/45/640923445.db2.gz HEFRTVLXLYMMKJ-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO CCOC(=O)[C@H](CCc1ccccc1)[NH2+]C(C)C ZINC000061625423 640977253 /nfs/dbraw/zinc/97/72/53/640977253.db2.gz CILLGLCHEVZAHV-AWEZNQCLSA-N 1 2 249.354 2.549 20 0 BFADLO c1cc(CNc2ccc(N3CCCC3)[nH+]c2)co1 ZINC000063047087 641121656 /nfs/dbraw/zinc/12/16/56/641121656.db2.gz CJFYBWXWYQUMND-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO C[C@@H](c1nc([C@H]2CCC(F)(F)C2)no1)[NH+](C)C ZINC000350590156 641363748 /nfs/dbraw/zinc/36/37/48/641363748.db2.gz HMGWXEBMVDPFGM-YUMQZZPRSA-N 1 2 245.273 2.595 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCC(F)(F)C2)no1)[NH+](C)C ZINC000350590155 641364042 /nfs/dbraw/zinc/36/40/42/641364042.db2.gz HMGWXEBMVDPFGM-JGVFFNPUSA-N 1 2 245.273 2.595 20 0 BFADLO C=C[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000187539904 641547499 /nfs/dbraw/zinc/54/74/99/641547499.db2.gz RCXXKRKRYGCLLL-GXTWGEPZSA-N 1 2 247.338 2.797 20 0 BFADLO C=C[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000187539904 641547505 /nfs/dbraw/zinc/54/75/05/641547505.db2.gz RCXXKRKRYGCLLL-GXTWGEPZSA-N 1 2 247.338 2.797 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3sccc3C2)cn1 ZINC000189290987 641799309 /nfs/dbraw/zinc/79/93/09/641799309.db2.gz NYUWCNYJAVHAEE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3sccc3C2)cn1 ZINC000189290987 641799314 /nfs/dbraw/zinc/79/93/14/641799314.db2.gz NYUWCNYJAVHAEE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO C[N@H+](Cc1ccc(F)nc1)Cc1ccccc1F ZINC000189282857 641800860 /nfs/dbraw/zinc/80/08/60/641800860.db2.gz JNSCOHPFFOGFBI-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccc(F)nc1)Cc1ccccc1F ZINC000189282857 641800862 /nfs/dbraw/zinc/80/08/62/641800862.db2.gz JNSCOHPFFOGFBI-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CC[N@H+](CC(C)C)Cn1nc(C)sc1=S ZINC000193396552 641808370 /nfs/dbraw/zinc/80/83/70/641808370.db2.gz JHHUTASWIFRHOG-UHFFFAOYSA-N 1 2 245.417 2.918 20 0 BFADLO CC[N@@H+](CC(C)C)Cn1nc(C)sc1=S ZINC000193396552 641808374 /nfs/dbraw/zinc/80/83/74/641808374.db2.gz JHHUTASWIFRHOG-UHFFFAOYSA-N 1 2 245.417 2.918 20 0 BFADLO C[C@H](c1nc([C@@H]2CCC[C@@H](C)C2)no1)[NH+](C)C ZINC000923861100 641857590 /nfs/dbraw/zinc/85/75/90/641857590.db2.gz HNBXELZCGXDLOV-GMTAPVOTSA-N 1 2 237.347 2.986 20 0 BFADLO CC(C)C[C@@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000766419891 641872771 /nfs/dbraw/zinc/87/27/71/641872771.db2.gz GDXCDUWNKQJOQF-CQSZACIVSA-N 1 2 245.326 2.947 20 0 BFADLO Oc1ccc(CNc2cccc[nH+]2)cc1F ZINC000078020107 641896589 /nfs/dbraw/zinc/89/65/89/641896589.db2.gz AGFKXWXKWYRBCX-UHFFFAOYSA-N 1 2 218.231 2.538 20 0 BFADLO Cc1cc(NC(=O)c2ccnc(Cl)c2)cc[nH+]1 ZINC000078579254 641937543 /nfs/dbraw/zinc/93/75/43/641937543.db2.gz RVPAZXVHRMBHKX-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO O=C1SCCN1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000917448830 642066172 /nfs/dbraw/zinc/06/61/72/642066172.db2.gz OBOMUZBFMUVLDR-GFCCVEGCSA-N 1 2 248.351 2.560 20 0 BFADLO O=C1SCCN1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000917448830 642066180 /nfs/dbraw/zinc/06/61/80/642066180.db2.gz OBOMUZBFMUVLDR-GFCCVEGCSA-N 1 2 248.351 2.560 20 0 BFADLO CC(C)(F)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000154503536 642112595 /nfs/dbraw/zinc/11/25/95/642112595.db2.gz XTTPUFUJSUSHFK-UHFFFAOYSA-N 1 2 247.273 2.559 20 0 BFADLO CC(C)c1c[nH]c(SCc2ccc(N)[nH+]c2)n1 ZINC000918181925 642175133 /nfs/dbraw/zinc/17/51/33/642175133.db2.gz VGTSZLYSTSCBJA-UHFFFAOYSA-N 1 2 248.355 2.803 20 0 BFADLO CO[C@H](C)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150902 642304166 /nfs/dbraw/zinc/30/41/66/642304166.db2.gz PFSQVIJCPDSMSW-GFCCVEGCSA-N 1 2 230.311 2.509 20 0 BFADLO CCC[C@@H](C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923869446 642389024 /nfs/dbraw/zinc/38/90/24/642389024.db2.gz MCVBVIHEMSNSBP-RKDXNWHRSA-N 1 2 211.309 2.596 20 0 BFADLO C/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920004494 642419841 /nfs/dbraw/zinc/41/98/41/642419841.db2.gz NTLXLOSZEWGXNS-IHWYPQMZSA-N 1 2 245.257 2.526 20 0 BFADLO Cc1ccccc1OC(=O)CCCn1cc[nH+]c1 ZINC000920927210 642561421 /nfs/dbraw/zinc/56/14/21/642561421.db2.gz ZWIZEIRIOBQIGR-UHFFFAOYSA-N 1 2 244.294 2.577 20 0 BFADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(=S)s1 ZINC000174959073 642641812 /nfs/dbraw/zinc/64/18/12/642641812.db2.gz LVTOGEVGTOBNQP-SFYZADRCSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(=S)s1 ZINC000174959073 642641816 /nfs/dbraw/zinc/64/18/16/642641816.db2.gz LVTOGEVGTOBNQP-SFYZADRCSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2ccco2)n1 ZINC000069168471 642835251 /nfs/dbraw/zinc/83/52/51/642835251.db2.gz SYLXIBKKBNOKBD-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO C=CCCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181984578 642936806 /nfs/dbraw/zinc/93/68/06/642936806.db2.gz AEBYGBDAKMHRCD-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO C[C@@H]1CCC[C@H]1[NH2+]CC(F)(F)Br ZINC000306754381 643231660 /nfs/dbraw/zinc/23/16/60/643231660.db2.gz KBCHVBGQMLIYHT-RNFRBKRXSA-N 1 2 242.107 2.752 20 0 BFADLO CSCc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000922153965 643875073 /nfs/dbraw/zinc/87/50/73/643875073.db2.gz GNFWMRAMRQNHOB-UHFFFAOYSA-N 1 2 245.338 2.947 20 0 BFADLO CCCCCCC(=O)OCc1ccc[nH+]c1N ZINC000922352364 643979739 /nfs/dbraw/zinc/97/97/39/643979739.db2.gz DDHKFJRQDPDLLX-UHFFFAOYSA-N 1 2 236.315 2.677 20 0 BFADLO CCC[C@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922401299 643987103 /nfs/dbraw/zinc/98/71/03/643987103.db2.gz YPVNNUJAOJGTFI-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO CC(C)(C)CCC(=O)OCc1ccc[nH+]c1N ZINC000922471474 643997908 /nfs/dbraw/zinc/99/79/08/643997908.db2.gz DMISEVMDYUUUGW-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO C/C=C(/C=C/C(=O)OCc1ccc(N)[nH+]c1)CC ZINC000922538260 644015865 /nfs/dbraw/zinc/01/58/65/644015865.db2.gz MHFOOHVFTGUXAS-OEPKPEFXSA-N 1 2 246.310 2.620 20 0 BFADLO Cc1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)no1 ZINC000922584338 644032098 /nfs/dbraw/zinc/03/20/98/644032098.db2.gz HZHWOBPREPUIFW-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1C ZINC000922674375 644064885 /nfs/dbraw/zinc/06/48/85/644064885.db2.gz JHEBUNOMEWRZCY-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO CC[C@H](C)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922724880 644077520 /nfs/dbraw/zinc/07/75/20/644077520.db2.gz COEWKESAFQHOAJ-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO C[C@@H]1CCC[C@]1(C)C(=O)OCc1ccc[nH+]c1N ZINC000922771069 644091797 /nfs/dbraw/zinc/09/17/97/644091797.db2.gz WPVGMMCOGIQRPD-YGRLFVJLSA-N 1 2 248.326 2.533 20 0 BFADLO CCCC(C)(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922841517 644116428 /nfs/dbraw/zinc/11/64/28/644116428.db2.gz CKLWLFARJDQPEZ-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000929327473 644142595 /nfs/dbraw/zinc/14/25/95/644142595.db2.gz IBVVXEWDARALMR-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000929327473 644142599 /nfs/dbraw/zinc/14/25/99/644142599.db2.gz IBVVXEWDARALMR-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CC[N@H+](CC(C)C)Cn1ncsc1=S ZINC000193397825 644238714 /nfs/dbraw/zinc/23/87/14/644238714.db2.gz WMEHRKMMSLHHMN-UHFFFAOYSA-N 1 2 231.390 2.609 20 0 BFADLO CC[N@@H+](CC(C)C)Cn1ncsc1=S ZINC000193397825 644238717 /nfs/dbraw/zinc/23/87/17/644238717.db2.gz WMEHRKMMSLHHMN-UHFFFAOYSA-N 1 2 231.390 2.609 20 0 BFADLO Cc1cn(C)nc1C[N@@H+](Cc1ccco1)C(C)C ZINC000929366788 644282907 /nfs/dbraw/zinc/28/29/07/644282907.db2.gz GCEBXFQOSIIXFN-UHFFFAOYSA-N 1 2 247.342 2.732 20 0 BFADLO Cc1cn(C)nc1C[N@H+](Cc1ccco1)C(C)C ZINC000929366788 644282910 /nfs/dbraw/zinc/28/29/10/644282910.db2.gz GCEBXFQOSIIXFN-UHFFFAOYSA-N 1 2 247.342 2.732 20 0 BFADLO C/C(=C\C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000195488916 644393367 /nfs/dbraw/zinc/39/33/67/644393367.db2.gz LUPRXUKANWRLOU-VQHVLOKHSA-N 1 2 216.284 2.685 20 0 BFADLO C=C(C)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000089508334 644554550 /nfs/dbraw/zinc/55/45/50/644554550.db2.gz SZRPQULSSHZDJR-UHFFFAOYSA-N 1 2 238.718 2.747 20 0 BFADLO CCn1cncc1CNc1ccc([NH+](C)C)cc1 ZINC000090170201 644583011 /nfs/dbraw/zinc/58/30/11/644583011.db2.gz IZLNTLDRQXXQJT-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1cccnc1C ZINC000091812847 644639683 /nfs/dbraw/zinc/63/96/83/644639683.db2.gz SGRDZGDOLHZPRF-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1cccnc1C ZINC000091812847 644639690 /nfs/dbraw/zinc/63/96/90/644639690.db2.gz SGRDZGDOLHZPRF-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000783278129 644752193 /nfs/dbraw/zinc/75/21/93/644752193.db2.gz UIEZQZYDZLJBCK-YPMHNXCESA-N 1 2 231.343 2.892 20 0 BFADLO CC1(C(=O)OCc2cc[nH+]c(N)c2)CCCCC1 ZINC000792159236 644792576 /nfs/dbraw/zinc/79/25/76/644792576.db2.gz WHKFKJCYIXHQJV-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO Cc1ccccc1[C@]1(F)CC[N@H+](CCF)C1 ZINC000800473370 644834696 /nfs/dbraw/zinc/83/46/96/644834696.db2.gz UEQSWLCHAFJGTJ-ZDUSSCGKSA-N 1 2 225.282 2.835 20 0 BFADLO Cc1ccccc1[C@]1(F)CC[N@@H+](CCF)C1 ZINC000800473370 644834701 /nfs/dbraw/zinc/83/47/01/644834701.db2.gz UEQSWLCHAFJGTJ-ZDUSSCGKSA-N 1 2 225.282 2.835 20 0 BFADLO CC/C=C(\C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458473 644984057 /nfs/dbraw/zinc/98/40/57/644984057.db2.gz IFLMSVZOSFIQGH-UXBLZVDNSA-N 1 2 232.327 2.671 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000926519967 645253242 /nfs/dbraw/zinc/25/32/42/645253242.db2.gz OWKUKWKLNRTILJ-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2ccns2)c1 ZINC000926662986 645343054 /nfs/dbraw/zinc/34/30/54/645343054.db2.gz SVFCNPRFZWZJCW-VIFPVBQESA-N 1 2 249.339 2.858 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930243634 645515895 /nfs/dbraw/zinc/51/58/95/645515895.db2.gz HVVLAJFEMHHKAU-SCVCMEIPSA-N 1 2 240.297 2.962 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930243634 645515899 /nfs/dbraw/zinc/51/58/99/645515899.db2.gz HVVLAJFEMHHKAU-SCVCMEIPSA-N 1 2 240.297 2.962 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930244541 645520733 /nfs/dbraw/zinc/52/07/33/645520733.db2.gz NWFMVWDFDMEWKY-UJNFCWOMSA-N 1 2 243.351 2.587 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000930244541 645520756 /nfs/dbraw/zinc/52/07/56/645520756.db2.gz NWFMVWDFDMEWKY-UJNFCWOMSA-N 1 2 243.351 2.587 20 0 BFADLO Cc1cc(Cl)ccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000857433528 645557318 /nfs/dbraw/zinc/55/73/18/645557318.db2.gz FTRKZLQTWNWBGQ-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO CCCCNc1[nH+]c2ccccc2n1CCOC ZINC000884270955 645872982 /nfs/dbraw/zinc/87/29/82/645872982.db2.gz VIVJESCRZJHCOH-UHFFFAOYSA-N 1 2 247.342 2.895 20 0 BFADLO C[C@H](c1nc(C2CCC(C)CC2)no1)[NH+](C)C ZINC000923861195 645960170 /nfs/dbraw/zinc/96/01/70/645960170.db2.gz IOKMFPDGKIWKHF-HSOILSAZSA-N 1 2 237.347 2.986 20 0 BFADLO C[C@H](c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)[NH+](C)C ZINC000924113754 645983218 /nfs/dbraw/zinc/98/32/18/645983218.db2.gz GMNINHIHDWSUDF-DBIOUOCHSA-N 1 2 235.331 2.596 20 0 BFADLO CC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000929215383 646011333 /nfs/dbraw/zinc/01/13/33/646011333.db2.gz GJRUDTBDZFXIGK-UHFFFAOYSA-N 1 2 226.270 2.592 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@H](C)c2ncccn2)c1 ZINC000929299132 646072144 /nfs/dbraw/zinc/07/21/44/646072144.db2.gz XTIQMCRTITZZKJ-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@H](C)c2ncccn2)c1 ZINC000929299132 646072151 /nfs/dbraw/zinc/07/21/51/646072151.db2.gz XTIQMCRTITZZKJ-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO C[C@@H](O)c1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000924762789 646101881 /nfs/dbraw/zinc/10/18/81/646101881.db2.gz NWCJZFDFMHEORK-GHMZBOCLSA-N 1 2 246.310 2.579 20 0 BFADLO C[N@H+](CCC1CCCCC1)Cc1nncs1 ZINC000929469164 646131845 /nfs/dbraw/zinc/13/18/45/646131845.db2.gz JKWCFDQFCXLMHT-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[N@@H+](CCC1CCCCC1)Cc1nncs1 ZINC000929469164 646131854 /nfs/dbraw/zinc/13/18/54/646131854.db2.gz JKWCFDQFCXLMHT-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ncco1 ZINC000924967787 646147008 /nfs/dbraw/zinc/14/70/08/646147008.db2.gz OFLLWDOHMGDANP-CABZTGNLSA-N 1 2 244.294 2.718 20 0 BFADLO CC[N@H+](Cc1c(F)cncc1F)C1CCC1 ZINC000929681556 646239887 /nfs/dbraw/zinc/23/98/87/646239887.db2.gz XSNDXWAWDKCSGS-UHFFFAOYSA-N 1 2 226.270 2.734 20 0 BFADLO CC[N@@H+](Cc1c(F)cncc1F)C1CCC1 ZINC000929681556 646239894 /nfs/dbraw/zinc/23/98/94/646239894.db2.gz XSNDXWAWDKCSGS-UHFFFAOYSA-N 1 2 226.270 2.734 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000929785681 646315394 /nfs/dbraw/zinc/31/53/94/646315394.db2.gz AVCRRYHGUFAXNH-GXTWGEPZSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000929785681 646315400 /nfs/dbraw/zinc/31/54/00/646315400.db2.gz AVCRRYHGUFAXNH-GXTWGEPZSA-N 1 2 239.322 2.985 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CCC=C(F)C2)c1 ZINC000930175154 646477728 /nfs/dbraw/zinc/47/77/28/646477728.db2.gz QYPOSVZYJXGWSR-UHFFFAOYSA-N 1 2 220.291 2.758 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nncs2)cc1 ZINC000930189533 646484376 /nfs/dbraw/zinc/48/43/76/646484376.db2.gz XBJYOALMUXSOTQ-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ncco1 ZINC000926025620 646561740 /nfs/dbraw/zinc/56/17/40/646561740.db2.gz GNXATUTULUTLJJ-SNVBAGLBSA-N 1 2 231.299 2.914 20 0 BFADLO Cc1cc(N[C@H]2COC[C@H]2C)ccc1[NH+](C)C ZINC000926052555 646566113 /nfs/dbraw/zinc/56/61/13/646566113.db2.gz JKHYVXZTUMBFNO-YPMHNXCESA-N 1 2 234.343 2.508 20 0 BFADLO C[C@@H]([NH2+]CC(C)(F)F)C1(Br)CC1 ZINC000926487569 646659814 /nfs/dbraw/zinc/65/98/14/646659814.db2.gz WZLPFWNFNYNJJH-ZCFIWIBFSA-N 1 2 242.107 2.547 20 0 BFADLO C[C@H](NCC(C)(F)F)c1cn2c([nH+]1)CCCC2 ZINC000926485940 646657699 /nfs/dbraw/zinc/65/76/99/646657699.db2.gz KTSWDZZTWZBGIO-VIFPVBQESA-N 1 2 243.301 2.525 20 0 BFADLO C[C@H]([NH2+]CC(C)(F)F)C1(Br)CC1 ZINC000926487567 646659310 /nfs/dbraw/zinc/65/93/10/646659310.db2.gz WZLPFWNFNYNJJH-LURJTMIESA-N 1 2 242.107 2.547 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccns2)cs1 ZINC000715995110 712551413 /nfs/dbraw/zinc/55/14/13/712551413.db2.gz BFQIHLZSQGLEAS-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2ccns2)n1 ZINC000715998313 712551869 /nfs/dbraw/zinc/55/18/69/712551869.db2.gz MLRWBWZEYCXIMK-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@H]2C)c(OC)c1 ZINC000381613506 710660873 /nfs/dbraw/zinc/66/08/73/710660873.db2.gz UBUMYTSXKGWEBG-NXEZZACHSA-N 1 2 221.300 2.772 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000383321607 710980757 /nfs/dbraw/zinc/98/07/57/710980757.db2.gz SLYVTXBKXUEFBG-FZMZJTMJSA-N 1 2 234.343 2.732 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c(C)o1 ZINC000386106475 711022333 /nfs/dbraw/zinc/02/23/33/711022333.db2.gz SLJJJHUGRZQGJK-MFKMUULPSA-N 1 2 245.326 2.889 20 0 BFADLO C[C@@H]([NH2+]Cc1cncc2ccccc21)C(F)F ZINC000389925875 711099136 /nfs/dbraw/zinc/09/91/36/711099136.db2.gz CMMQJTKRXLKXLS-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO COc1ccc([NH2+]CC2(C)CC2)c(OC)c1 ZINC000390546627 711124162 /nfs/dbraw/zinc/12/41/62/711124162.db2.gz NBWZBADTSXLYDI-UHFFFAOYSA-N 1 2 221.300 2.916 20 0 BFADLO CCC[C@H](CNc1ccc([NH+](C)C)cc1)OC ZINC000395236328 711205935 /nfs/dbraw/zinc/20/59/35/711205935.db2.gz PMQGERRPSLIVTP-CQSZACIVSA-N 1 2 236.359 2.980 20 0 BFADLO CCC[C@@H](CNc1ccc([NH+](C)C)cc1)OC ZINC000395236327 711206159 /nfs/dbraw/zinc/20/61/59/711206159.db2.gz PMQGERRPSLIVTP-AWEZNQCLSA-N 1 2 236.359 2.980 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)CCO2 ZINC000389972470 711102365 /nfs/dbraw/zinc/10/23/65/711102365.db2.gz XGMLXYXFKXUDMJ-BDAKNGLRSA-N 1 2 241.281 2.926 20 0 BFADLO CC(C)=CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000309368827 711676448 /nfs/dbraw/zinc/67/64/48/711676448.db2.gz BPMCQMOPVSALGG-NSHDSACASA-N 1 2 227.348 2.663 20 0 BFADLO Cc1cccc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000335066878 711720036 /nfs/dbraw/zinc/72/00/36/711720036.db2.gz FGCDZPMZHGCNOO-AWEZNQCLSA-N 1 2 241.338 2.885 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160246459 711806278 /nfs/dbraw/zinc/80/62/78/711806278.db2.gz BHNSHYWAOYKMFZ-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1nocc1C ZINC000708334563 712188607 /nfs/dbraw/zinc/18/86/07/712188607.db2.gz IYFMMNOFLCAJQP-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO Cc1nc(NC[C@@H]2CC(C)(C)OC2(C)C)cc[nH+]1 ZINC000709697646 712216188 /nfs/dbraw/zinc/21/61/88/712216188.db2.gz NQMZAJVPDKGDJS-NSHDSACASA-N 1 2 249.358 2.791 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1cn(C)cn1 ZINC000709918943 712232901 /nfs/dbraw/zinc/23/29/01/712232901.db2.gz JNYFSGJAHNNPAB-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO c1ccc(NC[C@@H]2CCC3(CCC3)O2)[nH+]c1 ZINC000711435487 712300112 /nfs/dbraw/zinc/30/01/12/712300112.db2.gz BMTSJWWUSKSPGV-NSHDSACASA-N 1 2 218.300 2.595 20 0 BFADLO C=C/C=C\CCSc1nc(N)cc(C)[nH+]1 ZINC000713765861 712471875 /nfs/dbraw/zinc/47/18/75/712471875.db2.gz WFZJHIWQELTVAU-PLNGDYQASA-N 1 2 221.329 2.592 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccns1 ZINC000715995830 712551441 /nfs/dbraw/zinc/55/14/41/712551441.db2.gz DRMUTEKFNBHBKA-UTLUCORTSA-N 1 2 248.355 2.696 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(Cl)n1 ZINC000122919088 712623469 /nfs/dbraw/zinc/62/34/69/712623469.db2.gz MCLSLOJPEQXETD-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO c1ccc(NCC[C@@H]2CCC3(CCC3)O2)[nH+]c1 ZINC000717085415 712629832 /nfs/dbraw/zinc/62/98/32/712629832.db2.gz RKCDKCFWNGVQBP-LBPRGKRZSA-N 1 2 232.327 2.985 20 0 BFADLO Fc1c[nH+]ccc1NC1CCC=CCC1 ZINC000718039580 712737966 /nfs/dbraw/zinc/73/79/66/712737966.db2.gz LOQNIGBUPHSTAE-UHFFFAOYSA-N 1 2 206.264 2.553 20 0 BFADLO C[C@@H]1CCCN(c2cc(N)cc(Cl)[nH+]2)[C@H]1C ZINC000300349213 959358852 /nfs/dbraw/zinc/35/88/52/959358852.db2.gz ANTBURXYLDAMNO-BDAKNGLRSA-N 1 2 239.750 2.942 20 0 BFADLO CC1(C)C[NH+](Cc2cc(F)c(O)c(F)c2)C1 ZINC001140988229 960154525 /nfs/dbraw/zinc/15/45/25/960154525.db2.gz SUTYWQISTDMRDT-UHFFFAOYSA-N 1 2 227.254 2.512 20 0 BFADLO COC(C)(C)C[C@@H](C)Oc1cc[nH+]cc1 ZINC001225291908 962058842 /nfs/dbraw/zinc/05/88/42/962058842.db2.gz AQZLJOFBGAXLHI-SNVBAGLBSA-N 1 2 209.289 2.664 20 0 BFADLO CCN(C)c1cc(NCCC(C)(C)C)nc[nH+]1 ZINC001161674017 963153759 /nfs/dbraw/zinc/15/37/59/963153759.db2.gz UFZOWXFCGQWVTE-UHFFFAOYSA-N 1 2 236.363 2.781 20 0 BFADLO CSc1cc[nH+]c(NC[C@H]2CC(C)(C)O2)c1 ZINC001157660956 963695164 /nfs/dbraw/zinc/69/51/64/963695164.db2.gz OWAMPEWOSIKVDY-SECBINFHSA-N 1 2 238.356 2.783 20 0 BFADLO FC(F)CNc1[nH+]cccc1-n1cccc1 ZINC001161810113 964764964 /nfs/dbraw/zinc/76/49/64/964764964.db2.gz XQKRHGZENDZSKA-UHFFFAOYSA-N 1 2 223.226 2.549 20 0 BFADLO Cc1cc(NCC(F)F)cc(OC(F)F)[nH+]1 ZINC001161817146 964771263 /nfs/dbraw/zinc/77/12/63/964771263.db2.gz FPLZSJHSNJKAFT-UHFFFAOYSA-N 1 2 238.184 2.668 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CC1CCCC1 ZINC001123379167 966155408 /nfs/dbraw/zinc/15/54/08/966155408.db2.gz RSCIMBIYHLSRSE-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO COCC(C)(C)Nc1c[nH+]c(C)c(C)c1 ZINC001166003155 966225586 /nfs/dbraw/zinc/22/55/86/966225586.db2.gz XGKXMWQOJZYEPS-UHFFFAOYSA-N 1 2 208.305 2.535 20 0 BFADLO Cc1ncsc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001206863305 968508636 /nfs/dbraw/zinc/50/86/36/968508636.db2.gz NKPQMNUDUFKSJU-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001206863305 968508641 /nfs/dbraw/zinc/50/86/41/968508641.db2.gz NKPQMNUDUFKSJU-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO CC/C=C\CCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001208134793 969034239 /nfs/dbraw/zinc/03/42/39/969034239.db2.gz PCSFMODKAWAUCR-MVZIDQBPSA-N 1 2 247.329 2.682 20 0 BFADLO CC/C=C\CCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001208134793 969034247 /nfs/dbraw/zinc/03/42/47/969034247.db2.gz PCSFMODKAWAUCR-MVZIDQBPSA-N 1 2 247.329 2.682 20 0 BFADLO Cc1ccc([C@H](C)CC[NH+]2CCC(=O)CC2)o1 ZINC001208152610 969078212 /nfs/dbraw/zinc/07/82/12/969078212.db2.gz STKUIKKJWHUSQS-LLVKDONJSA-N 1 2 235.327 2.747 20 0 BFADLO FC1(F)CCCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC001208874640 969261927 /nfs/dbraw/zinc/26/19/27/969261927.db2.gz XWWJOHZUTGJRAQ-LLVKDONJSA-N 1 2 231.286 2.800 20 0 BFADLO FC1(F)CCCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001208874640 969261939 /nfs/dbraw/zinc/26/19/39/969261939.db2.gz XWWJOHZUTGJRAQ-LLVKDONJSA-N 1 2 231.286 2.800 20 0 BFADLO Nc1ccc(N[C@H](C2CCC2)C(F)(F)F)c[nH+]1 ZINC001169286423 969554576 /nfs/dbraw/zinc/55/45/76/969554576.db2.gz VOZIKOGNUXUKPP-SNVBAGLBSA-N 1 2 245.248 2.807 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CF ZINC001231605782 977647285 /nfs/dbraw/zinc/64/72/85/977647285.db2.gz VOOJUPSCFGJBMS-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CF ZINC001231605782 977647297 /nfs/dbraw/zinc/64/72/97/977647297.db2.gz VOOJUPSCFGJBMS-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cscn1 ZINC001175941989 977806024 /nfs/dbraw/zinc/80/60/24/977806024.db2.gz ODWSOQPBQHVWQY-UHFFFAOYSA-N 1 2 221.285 2.680 20 0 BFADLO CCCn1cnc(C[NH+]2CCC(F)(F)CC2)c1 ZINC001232795571 978287323 /nfs/dbraw/zinc/28/73/23/978287323.db2.gz OUUXPNGZZICTEJ-UHFFFAOYSA-N 1 2 243.301 2.524 20 0 BFADLO CC/C(C)=C\C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597812527 978376980 /nfs/dbraw/zinc/37/69/80/978376980.db2.gz YSTYXVFILGHUOK-POHAHGRESA-N 1 2 235.331 2.506 20 0 BFADLO CCC(C)=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597812527 978376967 /nfs/dbraw/zinc/37/69/67/978376967.db2.gz YSTYXVFILGHUOK-POHAHGRESA-N 1 2 235.331 2.506 20 0 BFADLO Cc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC001233248734 978510208 /nfs/dbraw/zinc/51/02/08/978510208.db2.gz WEVRQLXGAGEKQM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(Cl)cc1C[N@H+]1CCO[C@H](C)C1 ZINC001233248734 978510210 /nfs/dbraw/zinc/51/02/10/978510210.db2.gz WEVRQLXGAGEKQM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO COc1ccc(C[NH+]2CC(C)C2)c(Cl)c1O ZINC001233397695 978599347 /nfs/dbraw/zinc/59/93/47/978599347.db2.gz JKGOMZRROBVTHH-UHFFFAOYSA-N 1 2 241.718 2.506 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@H]2C)c(Cl)c1O ZINC001233398005 978600085 /nfs/dbraw/zinc/60/00/85/978600085.db2.gz UHZXJJXLEKOYAQ-QMMMGPOBSA-N 1 2 241.718 2.648 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@H]2C)c(Cl)c1O ZINC001233398005 978600091 /nfs/dbraw/zinc/60/00/91/978600091.db2.gz UHZXJJXLEKOYAQ-QMMMGPOBSA-N 1 2 241.718 2.648 20 0 BFADLO Cc1cc(F)cc(N2CCC=C(C)C2)[nH+]1 ZINC001339704698 978896359 /nfs/dbraw/zinc/89/63/59/978896359.db2.gz DCIGFVSXPIIEAB-UHFFFAOYSA-N 1 2 206.264 2.686 20 0 BFADLO C[N@H+](Cc1cc(F)c(O)c(Cl)c1)C1CC1 ZINC001237983983 980120402 /nfs/dbraw/zinc/12/04/02/980120402.db2.gz KHMNQDKZBPOLPC-UHFFFAOYSA-N 1 2 229.682 2.779 20 0 BFADLO C[N@@H+](Cc1cc(F)c(O)c(Cl)c1)C1CC1 ZINC001237983983 980120405 /nfs/dbraw/zinc/12/04/05/980120405.db2.gz KHMNQDKZBPOLPC-UHFFFAOYSA-N 1 2 229.682 2.779 20 0 BFADLO CCC[N@H+](C)Cc1c(F)ccnc1Cl ZINC001238223664 980229362 /nfs/dbraw/zinc/22/93/62/980229362.db2.gz AXIZANCJWDMKOK-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CCC[N@@H+](C)Cc1c(F)ccnc1Cl ZINC001238223664 980229376 /nfs/dbraw/zinc/22/93/76/980229376.db2.gz AXIZANCJWDMKOK-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CCOc1cc(C)c(/C(C)=C/C=C/[NH3+])cn1 ZINC001238976941 980401627 /nfs/dbraw/zinc/40/16/27/980401627.db2.gz SADCFFBRCWDSRO-YLNKAEQOSA-N 1 2 218.300 2.664 20 0 BFADLO CCCC[C@@H](CC)Cc1nnc(C[NH+](C)C)o1 ZINC001345940663 980714722 /nfs/dbraw/zinc/71/47/22/980714722.db2.gz DXENEXUMYNKFNN-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO Clc1nccc(CCn2cc[nH+]c2)c1Cl ZINC001250318910 980755373 /nfs/dbraw/zinc/75/53/73/980755373.db2.gz LVEKZBKNOLWSHU-UHFFFAOYSA-N 1 2 242.109 2.828 20 0 BFADLO CCCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC001347320927 981045232 /nfs/dbraw/zinc/04/52/32/981045232.db2.gz WSCXIJVEWVUHKI-JTQLQIEISA-N 1 2 237.347 2.951 20 0 BFADLO CC[C@@H]1CCCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001349985880 981838215 /nfs/dbraw/zinc/83/82/15/981838215.db2.gz KMAILGUVYJASML-GHMZBOCLSA-N 1 2 237.347 2.815 20 0 BFADLO CNc1cc(-c2ccc(SC)nc2)cc[nH+]1 ZINC001241637234 982873122 /nfs/dbraw/zinc/87/31/22/982873122.db2.gz ULQWCQIHWJSCKT-UHFFFAOYSA-N 1 2 231.324 2.907 20 0 BFADLO COCc1cc(C)c(-c2[nH]cc[nH+]2)c(C)c1 ZINC001242020397 983228194 /nfs/dbraw/zinc/22/81/94/983228194.db2.gz VCNQDVIZOCEBMA-UHFFFAOYSA-N 1 2 216.284 2.840 20 0 BFADLO CCCC[C@@H](O)CNc1ccc(C)[nH+]c1C ZINC001252077952 983267222 /nfs/dbraw/zinc/26/72/22/983267222.db2.gz JLHCMPRNVIEBEK-GFCCVEGCSA-N 1 2 222.332 2.661 20 0 BFADLO CCCCCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001201742965 983441701 /nfs/dbraw/zinc/44/17/01/983441701.db2.gz CFEHPDJLPZDWCZ-LLVKDONJSA-N 1 2 215.312 2.570 20 0 BFADLO CCCCCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001201742965 983441727 /nfs/dbraw/zinc/44/17/27/983441727.db2.gz CFEHPDJLPZDWCZ-LLVKDONJSA-N 1 2 215.312 2.570 20 0 BFADLO CCOCC[C@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172416166 974685817 /nfs/dbraw/zinc/68/58/17/974685817.db2.gz DSLIODSPFCFYGP-QWRGUYRKSA-N 1 2 235.318 2.779 20 0 BFADLO CCOCC[C@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172416166 974685819 /nfs/dbraw/zinc/68/58/19/974685819.db2.gz DSLIODSPFCFYGP-QWRGUYRKSA-N 1 2 235.318 2.779 20 0 BFADLO C[NH+]1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1 ZINC001225916534 974727134 /nfs/dbraw/zinc/72/71/34/974727134.db2.gz SOMQBPLZPLXLIF-UHFFFAOYSA-N 1 2 249.207 2.537 20 0 BFADLO C[C@@H]1CC[C@@H](OCc2c[nH+]cn2C)C[C@H]1C ZINC001222595082 972594666 /nfs/dbraw/zinc/59/46/66/972594666.db2.gz NUBOZXHLNPPSIK-NQBHXWOUSA-N 1 2 222.332 2.761 20 0 BFADLO COc1cc[nH+]cc1Nc1c(F)ccc(C)c1O ZINC001215738219 970822920 /nfs/dbraw/zinc/82/29/20/970822920.db2.gz ROMAYNGCWWWQER-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Cc1[nH+]cn(C)c1Nc1ccc(C)c2[nH]ncc21 ZINC001215756039 970829540 /nfs/dbraw/zinc/82/95/40/970829540.db2.gz KAGRIJPDCUCCBR-UHFFFAOYSA-N 1 2 241.298 2.657 20 0 BFADLO C[C@@H]1C[C@@H]1c1nnc([C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256692038 970926144 /nfs/dbraw/zinc/92/61/44/970926144.db2.gz POPGYHMKETWFOZ-KXUCPTDWSA-N 1 2 235.331 2.738 20 0 BFADLO C[C@@H]1C[C@@H]1c1nnc([C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256692038 970926152 /nfs/dbraw/zinc/92/61/52/970926152.db2.gz POPGYHMKETWFOZ-KXUCPTDWSA-N 1 2 235.331 2.738 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)cc(O)c1F ZINC001216077958 970928214 /nfs/dbraw/zinc/92/82/14/970928214.db2.gz VYCWIJZSVGMWQE-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(F)c2C)c(N)c1 ZINC001216191385 970974106 /nfs/dbraw/zinc/97/41/06/970974106.db2.gz QQZCTOIHRBPPQG-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1nc(NC2C[C@H]3CC[C@@H](C2)S3)cc[nH+]1 ZINC000403562853 970979371 /nfs/dbraw/zinc/97/93/71/970979371.db2.gz DEYCJHPAKGBWFG-FGWVZKOKSA-N 1 2 235.356 2.624 20 0 BFADLO c1ccc(-c2ccc(C3=C[NH2+]CCC3)nn2)cc1 ZINC001243947636 971032089 /nfs/dbraw/zinc/03/20/89/971032089.db2.gz NPNGSNODDDFBPS-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO Cc1cn2c(cccc2-c2cc(F)nc(F)c2)[nH+]1 ZINC001243971211 971063668 /nfs/dbraw/zinc/06/36/68/971063668.db2.gz NUVGJTKMKDAUEM-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO Clc1cc(NC2=CCCOC2)cn2cc[nH+]c12 ZINC001216505767 971104580 /nfs/dbraw/zinc/10/45/80/971104580.db2.gz NYGPYBDEUVABCC-UHFFFAOYSA-N 1 2 249.701 2.704 20 0 BFADLO CC[N@H+](C)c1ccc(NC2=CCCOC2)cc1 ZINC001216511665 971112633 /nfs/dbraw/zinc/11/26/33/971112633.db2.gz PTSVUBIAZLRFCF-UHFFFAOYSA-N 1 2 232.327 2.859 20 0 BFADLO CC[N@@H+](C)c1ccc(NC2=CCCOC2)cc1 ZINC001216511665 971112640 /nfs/dbraw/zinc/11/26/40/971112640.db2.gz PTSVUBIAZLRFCF-UHFFFAOYSA-N 1 2 232.327 2.859 20 0 BFADLO CC1(C)C[NH+](Cc2cc(Cl)ccn2)C1 ZINC000307183659 971137163 /nfs/dbraw/zinc/13/71/63/971137163.db2.gz PUZKWRPTFAIAQJ-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO CCCCCC[C@@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001257360424 971274648 /nfs/dbraw/zinc/27/46/48/971274648.db2.gz QNTZVVWGDZQEJG-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO CCCCCC[C@H](C)[NH2+]C1(C(=O)OC)CC1 ZINC001257360425 971276057 /nfs/dbraw/zinc/27/60/57/971276057.db2.gz QNTZVVWGDZQEJG-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO CCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001170602549 971320013 /nfs/dbraw/zinc/32/00/13/971320013.db2.gz CFZIHQLNSZWKRB-AVGNSLFASA-N 1 2 239.359 2.735 20 0 BFADLO CCCCCC[C@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001170602549 971320019 /nfs/dbraw/zinc/32/00/19/971320019.db2.gz CFZIHQLNSZWKRB-AVGNSLFASA-N 1 2 239.359 2.735 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485468 971409842 /nfs/dbraw/zinc/40/98/42/971409842.db2.gz MRUWDZOUJPKTBL-RNJOBUHISA-N 1 2 239.359 2.591 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485468 971409844 /nfs/dbraw/zinc/40/98/44/971409844.db2.gz MRUWDZOUJPKTBL-RNJOBUHISA-N 1 2 239.359 2.591 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257516669 971436719 /nfs/dbraw/zinc/43/67/19/971436719.db2.gz MUMPBWFZLUUGFA-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257516669 971436728 /nfs/dbraw/zinc/43/67/28/971436728.db2.gz MUMPBWFZLUUGFA-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO C[C@@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848135 974209678 /nfs/dbraw/zinc/20/96/78/974209678.db2.gz ZKHDTUQZHBBGRO-MNOVXSKESA-N 1 2 249.345 2.761 20 0 BFADLO C[C@@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848135 974209686 /nfs/dbraw/zinc/20/96/86/974209686.db2.gz ZKHDTUQZHBBGRO-MNOVXSKESA-N 1 2 249.345 2.761 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217971966 971554591 /nfs/dbraw/zinc/55/45/91/971554591.db2.gz ANPGQFHSOSNDMT-NSHDSACASA-N 1 2 237.368 2.805 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1S ZINC001217988406 971562225 /nfs/dbraw/zinc/56/22/25/971562225.db2.gz PWKHVDAYDXLWTJ-QWRGUYRKSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1cc(O[C@H]2CC[NH2+]CC2(F)F)ccc1F ZINC001218004152 971567514 /nfs/dbraw/zinc/56/75/14/971567514.db2.gz BAZZGIRUSGQKIJ-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cccc(O[C@@H]2CC[NH2+]CC2(F)F)c1C ZINC001218005427 971568285 /nfs/dbraw/zinc/56/82/85/971568285.db2.gz JMMKPJVUQOWVEQ-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO FC1(F)C[NH2+]CC[C@H]1Oc1ccccc1Cl ZINC001218006359 971570867 /nfs/dbraw/zinc/57/08/67/971570867.db2.gz QUVFPLLMXGPFAP-SNVBAGLBSA-N 1 2 247.672 2.716 20 0 BFADLO Sc1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218144436 971606400 /nfs/dbraw/zinc/60/64/00/971606400.db2.gz RWRBCUZGKFDQBS-DDTOSNHZSA-N 1 2 249.379 2.742 20 0 BFADLO Cc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)c(C)c1 ZINC001218273962 971668492 /nfs/dbraw/zinc/66/84/92/971668492.db2.gz UTCCGFKRRHYCPM-LLVKDONJSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cc(F)ccc1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218273211 971669100 /nfs/dbraw/zinc/66/91/00/971669100.db2.gz PUYHLUYJMCTNSD-JTQLQIEISA-N 1 2 245.244 2.510 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC001218290295 971687107 /nfs/dbraw/zinc/68/71/07/971687107.db2.gz ACJZESHSWXEQHS-FOGDFJRCSA-N 1 2 220.316 2.867 20 0 BFADLO CCC[C@H](Oc1cc(N)cc[nH+]1)C(C)C ZINC001218293632 971692138 /nfs/dbraw/zinc/69/21/38/971692138.db2.gz LDCXXYJYRAMJGD-NSHDSACASA-N 1 2 208.305 2.867 20 0 BFADLO CC[C@@H](Oc1ccc[nH+]c1N)C(C)(C)C ZINC001218293067 971693360 /nfs/dbraw/zinc/69/33/60/971693360.db2.gz FNDFGTHBBYDPLV-SNVBAGLBSA-N 1 2 208.305 2.867 20 0 BFADLO Nc1cc[nH+]c(O[C@@H]2CCC=CCCC2)c1 ZINC001218302887 971700774 /nfs/dbraw/zinc/70/07/74/971700774.db2.gz JYYAPUZILGFGDB-GFCCVEGCSA-N 1 2 218.300 2.932 20 0 BFADLO C[C@H]1CCC[C@H](C)C1Oc1cc(N)cc[nH+]1 ZINC001218352924 971724367 /nfs/dbraw/zinc/72/43/67/971724367.db2.gz ODXIHXOZKFTEMO-UWVGGRQHSA-N 1 2 220.316 2.867 20 0 BFADLO CCC=CNc1[nH+]cnc2[nH]cc(SC)c21 ZINC001170766041 971755236 /nfs/dbraw/zinc/75/52/36/971755236.db2.gz AMAXSEVSZPERKO-SNAWJCMRSA-N 1 2 234.328 2.967 20 0 BFADLO C[N@H+](CC(F)F)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170766144 971758994 /nfs/dbraw/zinc/75/89/94/971758994.db2.gz JLKQMTYIWHPWFE-PSVAKVPMSA-N 1 2 203.276 2.618 20 0 BFADLO C[N@@H+](CC(F)F)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170766144 971759006 /nfs/dbraw/zinc/75/90/06/971759006.db2.gz JLKQMTYIWHPWFE-PSVAKVPMSA-N 1 2 203.276 2.618 20 0 BFADLO Cc1ccc(N[C@H](C)c2ncc[nH]2)c(C)[nH+]1 ZINC000309765670 971826619 /nfs/dbraw/zinc/82/66/19/971826619.db2.gz JNHLAQKXYAVNKJ-SNVBAGLBSA-N 1 2 216.288 2.595 20 0 BFADLO CC1(C)C[C@@H](Oc2ccccc2S)CC[NH2+]1 ZINC001218476268 971828265 /nfs/dbraw/zinc/82/82/65/971828265.db2.gz PBSKBCNRNWCANU-JTQLQIEISA-N 1 2 237.368 2.885 20 0 BFADLO Cc1cc(-c2cnc3scnc3c2)c[nH+]c1N ZINC001245538218 971852619 /nfs/dbraw/zinc/85/26/19/971852619.db2.gz YNMQCJXBXWGAGJ-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl ZINC000407290183 971852443 /nfs/dbraw/zinc/85/24/43/971852443.db2.gz IDTQBFOSKGSPBS-OCAPTIKFSA-N 1 2 234.126 2.501 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(Cl)Cl ZINC000407290183 971852445 /nfs/dbraw/zinc/85/24/45/971852445.db2.gz IDTQBFOSKGSPBS-OCAPTIKFSA-N 1 2 234.126 2.501 20 0 BFADLO CC(C)CCNc1ccc(N(C)C)c[nH+]1 ZINC000190784997 972054593 /nfs/dbraw/zinc/05/45/93/972054593.db2.gz WFDWDKGINIRNID-UHFFFAOYSA-N 1 2 207.321 2.606 20 0 BFADLO Nc1cc(Cl)[nH+]c(NCOc2ccccc2)c1 ZINC001159702040 972072173 /nfs/dbraw/zinc/07/21/73/972072173.db2.gz ACXXRGZPMJBZPR-UHFFFAOYSA-N 1 2 249.701 2.766 20 0 BFADLO Cc1c(F)cc[nH+]c1NCOc1ccccc1 ZINC001159705395 972077887 /nfs/dbraw/zinc/07/78/87/972077887.db2.gz ZPLWJJRHXBENAO-UHFFFAOYSA-N 1 2 232.258 2.978 20 0 BFADLO C[C@@H](C[N@@H+]1CCC[C@H](F)C(=O)C1)c1ccccc1 ZINC001207899487 956876991 /nfs/dbraw/zinc/87/69/91/956876991.db2.gz BZLUYJHYOKLZOQ-JSGCOSHPSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@@H](C[N@H+]1CCC[C@H](F)C(=O)C1)c1ccccc1 ZINC001207899487 956876995 /nfs/dbraw/zinc/87/69/95/956876995.db2.gz BZLUYJHYOKLZOQ-JSGCOSHPSA-N 1 2 249.329 2.793 20 0 BFADLO Cc1cc(C)c(Nc2ccc(F)nc2)c[nH+]1 ZINC001213505814 957019647 /nfs/dbraw/zinc/01/96/47/957019647.db2.gz QFUSPKWUCMJEPI-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(C)c(-n2ccc(N)c3ccnc2-3)c[nH+]1 ZINC001213505811 957021392 /nfs/dbraw/zinc/02/13/92/957021392.db2.gz QFDQKMTTWVKSDR-UHFFFAOYSA-N 1 2 238.294 2.571 20 0 BFADLO CSc1cc(Nc2c[nH+]c(C)cc2C)nn1C ZINC001213510656 957063111 /nfs/dbraw/zinc/06/31/11/957063111.db2.gz GSVNOYODWRJQDB-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO CC(C)CCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001208735358 957148140 /nfs/dbraw/zinc/14/81/40/957148140.db2.gz XLUIEDUGQPLERI-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001208735358 957148147 /nfs/dbraw/zinc/14/81/47/957148147.db2.gz XLUIEDUGQPLERI-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO COCc1cc[nH+]c(N(C)C[C@H]2CC2(C)C)c1 ZINC001167090491 957260531 /nfs/dbraw/zinc/26/05/31/957260531.db2.gz AZQGUUBWNFVQOE-GFCCVEGCSA-N 1 2 234.343 2.710 20 0 BFADLO COc1ccc(C)[nH+]c1NC(C)(C)CC(C)=O ZINC001160299659 972257490 /nfs/dbraw/zinc/25/74/90/972257490.db2.gz GVVNVUXMNJBCRX-UHFFFAOYSA-N 1 2 236.315 2.568 20 0 BFADLO COc1cc(C)c[nH+]c1NC(C)(C)CC(C)=O ZINC001160299330 972259402 /nfs/dbraw/zinc/25/94/02/972259402.db2.gz AAWWZOCJYZKXJS-UHFFFAOYSA-N 1 2 236.315 2.568 20 0 BFADLO Fc1cc(F)c(CC[N@H+]2CC[C@H](F)C2)cc1F ZINC001209251610 957369815 /nfs/dbraw/zinc/36/98/15/957369815.db2.gz WNDBKWBJWMBGLJ-VIFPVBQESA-N 1 2 247.235 2.690 20 0 BFADLO Fc1cc(F)c(CC[N@@H+]2CC[C@H](F)C2)cc1F ZINC001209251610 957369828 /nfs/dbraw/zinc/36/98/28/957369828.db2.gz WNDBKWBJWMBGLJ-VIFPVBQESA-N 1 2 247.235 2.690 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccno2)c1F ZINC001137678299 957417988 /nfs/dbraw/zinc/41/79/88/957417988.db2.gz HFKFBNMNFJZCCC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccno2)c1F ZINC001137678299 957417995 /nfs/dbraw/zinc/41/79/95/957417995.db2.gz HFKFBNMNFJZCCC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Clc1ccccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001203388210 957488517 /nfs/dbraw/zinc/48/85/17/957488517.db2.gz NWCOIMWBHOOFLN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccccc1C[N@H+]1CCOC2(CC2)C1 ZINC001203388210 957488518 /nfs/dbraw/zinc/48/85/18/957488518.db2.gz NWCOIMWBHOOFLN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CCC(CC)[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210206793 957670661 /nfs/dbraw/zinc/67/06/61/957670661.db2.gz JMUJDJBIDVFPGG-AWEZNQCLSA-N 1 2 243.391 2.550 20 0 BFADLO Cc1oncc1Nc1ccc(C)[nH+]c1C ZINC001210576984 957802024 /nfs/dbraw/zinc/80/20/24/957802024.db2.gz YAJJCGGDVRRROA-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CC=C(C)Nc1cccn2cc(C)[nH+]c12 ZINC001210793166 957886836 /nfs/dbraw/zinc/88/68/36/957886836.db2.gz XMXOOKYIBPUDNF-RUDMXATFSA-N 1 2 201.273 2.978 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C(C)(C)C2)oc1C ZINC001204532856 957944323 /nfs/dbraw/zinc/94/43/23/957944323.db2.gz ISDZNQMVIIWPNM-UHFFFAOYSA-N 1 2 235.327 2.697 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C(C)(C)C2)oc1C ZINC001204532856 957944335 /nfs/dbraw/zinc/94/43/35/957944335.db2.gz ISDZNQMVIIWPNM-UHFFFAOYSA-N 1 2 235.327 2.697 20 0 BFADLO Cc1ccc(Nc2cc(C)cc(CO)c2)[nH+]c1 ZINC001211012343 957986585 /nfs/dbraw/zinc/98/65/85/957986585.db2.gz ALPUZACLIGWNKD-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137015992 972327152 /nfs/dbraw/zinc/32/71/52/972327152.db2.gz FFCDPCGLPWGISR-MRVPVSSYSA-N 1 2 247.264 2.803 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137015992 972327161 /nfs/dbraw/zinc/32/71/61/972327161.db2.gz FFCDPCGLPWGISR-MRVPVSSYSA-N 1 2 247.264 2.803 20 0 BFADLO CSc1nccc(Nc2c[nH+]cc(C)c2C)n1 ZINC001213522890 958199033 /nfs/dbraw/zinc/19/90/33/958199033.db2.gz IRNYYKRZJZYYAN-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO Cc1coc(Nc2c[nH+]cc(C)c2C)n1 ZINC001213523668 958204088 /nfs/dbraw/zinc/20/40/88/958204088.db2.gz ZAIGMYPYPATWCT-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO COCc1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC000305961213 958293626 /nfs/dbraw/zinc/29/36/26/958293626.db2.gz IXTYDBIMSQTNGX-UHFFFAOYSA-N 1 2 229.283 2.554 20 0 BFADLO Nc1ccc(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC000707072976 958363620 /nfs/dbraw/zinc/36/36/20/958363620.db2.gz WORKFUOXEUDNRO-UHFFFAOYSA-N 1 2 246.688 2.619 20 0 BFADLO CC[N@H+](C)Cc1c(F)ccc(OC)c1Cl ZINC001143365612 972345920 /nfs/dbraw/zinc/34/59/20/972345920.db2.gz OIHAPOCWWPNVCS-UHFFFAOYSA-N 1 2 231.698 2.939 20 0 BFADLO CC[N@@H+](C)Cc1c(F)ccc(OC)c1Cl ZINC001143365612 972345928 /nfs/dbraw/zinc/34/59/28/972345928.db2.gz OIHAPOCWWPNVCS-UHFFFAOYSA-N 1 2 231.698 2.939 20 0 BFADLO COc1ccc(Nc2ccc(C)c[nH+]2)cc1N ZINC001216254401 958754211 /nfs/dbraw/zinc/75/42/11/958754211.db2.gz KTUBCHKPLDKPMN-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1cccc2c1CC[C@@H]2OCCn1cc[nH+]c1 ZINC001222129963 972376546 /nfs/dbraw/zinc/37/65/46/972376546.db2.gz VNWVTZBPYMCEQY-HNNXBMFYSA-N 1 2 242.322 2.896 20 0 BFADLO C[N@H+](Cc1cc(F)cc(Cl)c1)C1(C)COC1 ZINC001140539008 958820041 /nfs/dbraw/zinc/82/00/41/958820041.db2.gz QXUHAFIYKKRAPK-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO C[N@@H+](Cc1cc(F)cc(Cl)c1)C1(C)COC1 ZINC001140539008 958820047 /nfs/dbraw/zinc/82/00/47/958820047.db2.gz QXUHAFIYKKRAPK-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)c2ncc(F)cn2)c1C ZINC001171114877 972379482 /nfs/dbraw/zinc/37/94/82/972379482.db2.gz JJIUIACAVLPOGM-SNVBAGLBSA-N 1 2 246.289 2.801 20 0 BFADLO COc1cccc([C@@H](C)OCCn2cc[nH+]c2)c1 ZINC001222135146 972380365 /nfs/dbraw/zinc/38/03/65/972380365.db2.gz WMIJILHHIGRREW-GFCCVEGCSA-N 1 2 246.310 2.670 20 0 BFADLO COc1ccccc1[C@H](C)OCCn1cc[nH+]c1 ZINC001222135519 972383329 /nfs/dbraw/zinc/38/33/29/972383329.db2.gz ZLGYEFMXWPKPTM-LBPRGKRZSA-N 1 2 246.310 2.670 20 0 BFADLO Cc1ccccc1[C@@H](C)OCCn1cc[nH+]c1 ZINC001222135182 972383529 /nfs/dbraw/zinc/38/35/29/972383529.db2.gz XIOIDDLTSLFBBF-CYBMUJFWSA-N 1 2 230.311 2.969 20 0 BFADLO C[C@H](OCCn1cc[nH+]c1)c1cccc(F)c1 ZINC001222134717 972382999 /nfs/dbraw/zinc/38/29/99/972382999.db2.gz LFLKLWRHQRVDQA-NSHDSACASA-N 1 2 234.274 2.800 20 0 BFADLO COc1ccc[nH+]c1NC[C@]12C[C@H]1CCC2 ZINC000693591559 958903690 /nfs/dbraw/zinc/90/36/90/958903690.db2.gz ZWWMNBNMDXCTMK-MFKMUULPSA-N 1 2 218.300 2.692 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@H]2C)c(F)c1F ZINC001143903228 972387324 /nfs/dbraw/zinc/38/73/24/972387324.db2.gz CKEDRTVOKJWLTR-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@H]2C)c(F)c1F ZINC001143903228 972387337 /nfs/dbraw/zinc/38/73/37/972387337.db2.gz CKEDRTVOKJWLTR-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO Cn1ccc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213085310 959042572 /nfs/dbraw/zinc/04/25/72/959042572.db2.gz BTPZEQCMBROYQX-UHFFFAOYSA-N 1 2 239.282 2.554 20 0 BFADLO COc1ccc(NCc2cc[nH+]c(N)c2)c(C)c1 ZINC001167616938 959082867 /nfs/dbraw/zinc/08/28/67/959082867.db2.gz CPUHKCUEHFXURI-UHFFFAOYSA-N 1 2 243.310 2.593 20 0 BFADLO C=Cc1ccccc1NCc1cc[nH+]c(N)c1 ZINC001167616969 959083587 /nfs/dbraw/zinc/08/35/87/959083587.db2.gz DILIKLAQFNMNRJ-UHFFFAOYSA-N 1 2 225.295 2.919 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc(S)c1 ZINC001217983364 959815451 /nfs/dbraw/zinc/81/54/51/959815451.db2.gz BHDCEICGKZJQHL-MFKMUULPSA-N 1 2 237.368 2.742 20 0 BFADLO CCCNc1cc(N2CCCC3(CC3)C2)nc[nH+]1 ZINC000695109556 960101013 /nfs/dbraw/zinc/10/10/13/960101013.db2.gz ZDLHAWCZJKVHIB-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CCCNc1cc(N2CCCC3(CC3)C2)[nH+]cn1 ZINC000695109556 960101020 /nfs/dbraw/zinc/10/10/20/960101020.db2.gz ZDLHAWCZJKVHIB-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1ccncc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001141031432 960221316 /nfs/dbraw/zinc/22/13/16/960221316.db2.gz OYYWDYUAHQLPSM-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccncc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001141031432 960221328 /nfs/dbraw/zinc/22/13/28/960221328.db2.gz OYYWDYUAHQLPSM-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO CCOc1c(F)cc(C[NH+]2CC(C)C2)cc1F ZINC001144021422 972496417 /nfs/dbraw/zinc/49/64/17/972496417.db2.gz HJQRPMIIADPNEN-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO Cc1ccc(F)cc1C[NH+]1CC2(C1)CCCCO2 ZINC001140589759 960444420 /nfs/dbraw/zinc/44/44/20/960444420.db2.gz MIYDTKKVLSOAJB-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO C[C@H]1C[N@H+](Cc2coc3ccccc23)CCC1=O ZINC001140782701 960571798 /nfs/dbraw/zinc/57/17/98/960571798.db2.gz QLDOPZJLLUWCHD-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO C[C@H]1C[N@@H+](Cc2coc3ccccc23)CCC1=O ZINC001140782701 960571809 /nfs/dbraw/zinc/57/18/09/960571809.db2.gz QLDOPZJLLUWCHD-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(F)cc2C)C1 ZINC001140782515 960573038 /nfs/dbraw/zinc/57/30/38/960573038.db2.gz ZYWFBHVHATWNOM-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2cncs2)c1C ZINC001140864465 960649892 /nfs/dbraw/zinc/64/98/92/960649892.db2.gz SWMKAULUXAOFQN-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2cncs2)c1C ZINC001140864465 960649896 /nfs/dbraw/zinc/64/98/96/960649896.db2.gz SWMKAULUXAOFQN-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c(N)cccc2F)C[C@H]1F ZINC001140873096 960661203 /nfs/dbraw/zinc/66/12/03/960661203.db2.gz SPXBKQBWXXKHNT-BXKDBHETSA-N 1 2 240.297 2.588 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c(N)cccc2F)C[C@H]1F ZINC001140873096 960661207 /nfs/dbraw/zinc/66/12/07/960661207.db2.gz SPXBKQBWXXKHNT-BXKDBHETSA-N 1 2 240.297 2.588 20 0 BFADLO C[N@H+](CCF)Cc1cnccc1C(F)(F)F ZINC001140921499 960690821 /nfs/dbraw/zinc/69/08/21/960690821.db2.gz FXQNXILOPNGLFM-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1cnccc1C(F)(F)F ZINC001140921499 960690835 /nfs/dbraw/zinc/69/08/35/960690835.db2.gz FXQNXILOPNGLFM-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1nccnc1C)C2 ZINC001140934421 960716438 /nfs/dbraw/zinc/71/64/38/960716438.db2.gz FDGIQTKCJJGBNF-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1nccnc1C)C2 ZINC001140934421 960716448 /nfs/dbraw/zinc/71/64/48/960716448.db2.gz FDGIQTKCJJGBNF-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO COc1cccc([C@H](C)OCc2c[nH+]cn2C)c1 ZINC001222594070 960720775 /nfs/dbraw/zinc/72/07/75/960720775.db2.gz CCEXXGGZNYOAPX-NSHDSACASA-N 1 2 246.310 2.707 20 0 BFADLO Oc1c(F)cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1F ZINC001140991938 960782057 /nfs/dbraw/zinc/78/20/57/960782057.db2.gz GSRZCSZLFIYQNO-JOYOIKCWSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1c(F)cc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1F ZINC001140991938 960782061 /nfs/dbraw/zinc/78/20/61/960782061.db2.gz GSRZCSZLFIYQNO-JOYOIKCWSA-N 1 2 239.265 2.655 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncco2)cc1 ZINC001141008875 960810360 /nfs/dbraw/zinc/81/03/60/960810360.db2.gz OULKZBLLUJJYTK-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncco2)cc1 ZINC001141008875 960810364 /nfs/dbraw/zinc/81/03/64/960810364.db2.gz OULKZBLLUJJYTK-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CCCCc1ncc(C[NH+]2CCC(F)CC2)[nH]1 ZINC001141067797 960859291 /nfs/dbraw/zinc/85/92/91/960859291.db2.gz OASNNXOPWALLAH-UHFFFAOYSA-N 1 2 239.338 2.686 20 0 BFADLO CCCCc1nc(C[NH+]2CCC(F)CC2)c[nH]1 ZINC001141067797 960859293 /nfs/dbraw/zinc/85/92/93/960859293.db2.gz OASNNXOPWALLAH-UHFFFAOYSA-N 1 2 239.338 2.686 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(F)c1 ZINC001141195301 960920975 /nfs/dbraw/zinc/92/09/75/960920975.db2.gz IMFCYSZJYSJDIZ-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(F)c1 ZINC001141195301 960921003 /nfs/dbraw/zinc/92/10/03/960921003.db2.gz IMFCYSZJYSJDIZ-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOCC2(C)C)c(F)c1 ZINC001141194658 960921729 /nfs/dbraw/zinc/92/17/29/960921729.db2.gz IGLYJGAVNCEVMC-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCOCC2(C)C)c(F)c1 ZINC001141194658 960921757 /nfs/dbraw/zinc/92/17/57/960921757.db2.gz IGLYJGAVNCEVMC-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cc(COC[C@H]2CCC=CO2)cc(C)[nH+]1 ZINC001223418901 961299211 /nfs/dbraw/zinc/29/92/11/961299211.db2.gz CPRMFZSDXROIHX-CQSZACIVSA-N 1 2 233.311 2.908 20 0 BFADLO COC[C@H](Nc1cc(C(C)C)[nH+]c(C)n1)C1CC1 ZINC000709766387 961481937 /nfs/dbraw/zinc/48/19/37/961481937.db2.gz DFWGIKRTXCANBY-ZDUSSCGKSA-N 1 2 249.358 2.745 20 0 BFADLO Clc1cc(C[NH+]2CCSCC2)cs1 ZINC001142763410 961718150 /nfs/dbraw/zinc/71/81/50/961718150.db2.gz ZUYIDJFDFVAYSN-UHFFFAOYSA-N 1 2 233.789 2.950 20 0 BFADLO COc1cc(C)cc(C[NH+]2CC(OC(C)C)C2)c1 ZINC001143160125 961896027 /nfs/dbraw/zinc/89/60/27/961896027.db2.gz KZXCNTGJYYJXIU-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO COc1cc[nH+]c(Nc2cc(N)ccc2F)c1 ZINC001211818170 961964043 /nfs/dbraw/zinc/96/40/43/961964043.db2.gz BRGCGBKZOYSNDB-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO FC(F)c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001143252241 961970606 /nfs/dbraw/zinc/97/06/06/961970606.db2.gz WOTZEZGFMKRNKU-TXEJJXNPSA-N 1 2 239.265 2.597 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)cc1 ZINC001143252241 961970627 /nfs/dbraw/zinc/97/06/27/961970627.db2.gz WOTZEZGFMKRNKU-TXEJJXNPSA-N 1 2 239.265 2.597 20 0 BFADLO CCOc1ccc(C[NH+]2CC=CC2)c(F)c1F ZINC001143269493 961978712 /nfs/dbraw/zinc/97/87/12/961978712.db2.gz NMCQBZDDZWELEO-UHFFFAOYSA-N 1 2 239.265 2.735 20 0 BFADLO COC(C)(C)C[C@H](C)Oc1cc[nH+]cc1 ZINC001225291905 962058450 /nfs/dbraw/zinc/05/84/50/962058450.db2.gz AQZLJOFBGAXLHI-JTQLQIEISA-N 1 2 209.289 2.664 20 0 BFADLO c1nn[nH]c1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001203198876 962158003 /nfs/dbraw/zinc/15/80/03/962158003.db2.gz QUCZFFMNTHBDRA-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1nn[nH]c1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001203198876 962158019 /nfs/dbraw/zinc/15/80/19/962158019.db2.gz QUCZFFMNTHBDRA-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1[nH]nnc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001203198876 962158026 /nfs/dbraw/zinc/15/80/26/962158026.db2.gz QUCZFFMNTHBDRA-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1[nH]nnc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001203198876 962158044 /nfs/dbraw/zinc/15/80/44/962158044.db2.gz QUCZFFMNTHBDRA-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO CCCc1cc[nH+]c(NC=CC(C)(C)O)c1 ZINC001203216005 962426020 /nfs/dbraw/zinc/42/60/20/962426020.db2.gz CUWXZEVTCAMYBL-VQHVLOKHSA-N 1 2 220.316 2.731 20 0 BFADLO COc1cccnc1C[N@H+](C)Cc1cccs1 ZINC001206644569 962501457 /nfs/dbraw/zinc/50/14/57/962501457.db2.gz PEFYZGBXFGPVFF-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccnc1C[N@@H+](C)Cc1cccs1 ZINC001206644569 962501470 /nfs/dbraw/zinc/50/14/70/962501470.db2.gz PEFYZGBXFGPVFF-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001153548427 962599488 /nfs/dbraw/zinc/59/94/88/962599488.db2.gz RYDISZIPMITTGI-UHFFFAOYSA-N 1 2 229.283 2.652 20 0 BFADLO Cn1ccnc1CNc1cc2ccccc2c[nH+]1 ZINC001154612067 962812091 /nfs/dbraw/zinc/81/20/91/962812091.db2.gz NPEVQLYOXTWOEK-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CSc1cc[nH+]c(NC2CC(F)C2)c1 ZINC001154844212 962868066 /nfs/dbraw/zinc/86/80/66/962868066.db2.gz VYJFLRZIJWTSSR-UHFFFAOYSA-N 1 2 212.293 2.716 20 0 BFADLO Cc1cc(C)c(CNc2ncnc(F)c2C)c[nH+]1 ZINC000696375836 962871747 /nfs/dbraw/zinc/87/17/47/962871747.db2.gz BNRGLBYGSXKSRV-UHFFFAOYSA-N 1 2 246.289 2.548 20 0 BFADLO CC(C)c1ccc(N2C[C@@H](C)OC[C@H]2C)[nH+]c1 ZINC001155418158 963072561 /nfs/dbraw/zinc/07/25/61/963072561.db2.gz YLZAOYUZBBMZBG-VXGBXAGGSA-N 1 2 234.343 2.819 20 0 BFADLO CCN(C)c1cc(NCCC(C)(C)C)[nH+]cn1 ZINC001161674017 963153750 /nfs/dbraw/zinc/15/37/50/963153750.db2.gz UFZOWXFCGQWVTE-UHFFFAOYSA-N 1 2 236.363 2.781 20 0 BFADLO CC(C)(C)c1ccc(N2CCOCC23CC3)[nH+]c1 ZINC001155853317 963187559 /nfs/dbraw/zinc/18/75/59/963187559.db2.gz ZWGYMGCNVMOUTG-UHFFFAOYSA-N 1 2 246.354 2.748 20 0 BFADLO C=Cc1ccc(NCCCSC)[nH+]c1 ZINC001155980324 963221356 /nfs/dbraw/zinc/22/13/56/963221356.db2.gz XSLISRNMFHXTHS-UHFFFAOYSA-N 1 2 208.330 2.890 20 0 BFADLO CSCCCNc1[nH+]ccc(F)c1C ZINC001155979719 963222715 /nfs/dbraw/zinc/22/27/15/963222715.db2.gz GQTZPVWFCKZGNU-UHFFFAOYSA-N 1 2 214.309 2.694 20 0 BFADLO Fc1cc2ncccc2cc1C[N@H+]1CC[C@@H](F)C1 ZINC001141623662 963249428 /nfs/dbraw/zinc/24/94/28/963249428.db2.gz ONSQTNADUIVGCB-GFCCVEGCSA-N 1 2 248.276 2.918 20 0 BFADLO Fc1cc2ncccc2cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001141623662 963249437 /nfs/dbraw/zinc/24/94/37/963249437.db2.gz ONSQTNADUIVGCB-GFCCVEGCSA-N 1 2 248.276 2.918 20 0 BFADLO COc1cc(C)c[nH+]c1NC1(C)CCC1 ZINC001156073993 963250914 /nfs/dbraw/zinc/25/09/14/963250914.db2.gz VEKVXDKIFAHRRX-UHFFFAOYSA-N 1 2 206.289 2.753 20 0 BFADLO C=Cc1ccc(NC[C@H]2CCCCO2)[nH+]c1 ZINC001156377862 963324915 /nfs/dbraw/zinc/32/49/15/963324915.db2.gz RDESXQOEJGPZRS-GFCCVEGCSA-N 1 2 218.300 2.706 20 0 BFADLO Cc1nc(N2C[C@@H](C)CC23CC3)c(C)c(C)[nH+]1 ZINC001156425358 963344211 /nfs/dbraw/zinc/34/42/11/963344211.db2.gz MPPCYTKPSKRGFV-VIFPVBQESA-N 1 2 231.343 2.781 20 0 BFADLO CCc1nc(N2C[C@H](C)CC23CC3)cc(C)[nH+]1 ZINC001156425345 963344783 /nfs/dbraw/zinc/34/47/83/963344783.db2.gz MNYQDDGOQUKGSU-SNVBAGLBSA-N 1 2 231.343 2.726 20 0 BFADLO Cc1cc(Cl)c(C)c(NC(C)(C)CCO)[nH+]1 ZINC001156910632 963492754 /nfs/dbraw/zinc/49/27/54/963492754.db2.gz YXAKJJMLXYEODL-UHFFFAOYSA-N 1 2 242.750 2.925 20 0 BFADLO CCc1cc(NC2(C)CC2)nc(CC)[nH+]1 ZINC001355283635 963510151 /nfs/dbraw/zinc/51/01/51/963510151.db2.gz JZXZISXHAHMSFK-UHFFFAOYSA-N 1 2 205.305 2.566 20 0 BFADLO [NH2+]=CNc1cccc(OCc2ccccc2)n1 ZINC001157078425 963522024 /nfs/dbraw/zinc/52/20/24/963522024.db2.gz NQVSPQDAHHOZCF-UHFFFAOYSA-N 1 2 227.267 2.680 20 0 BFADLO CCCOCCNc1cc(SC)cc[nH+]1 ZINC001157089038 963528383 /nfs/dbraw/zinc/52/83/83/963528383.db2.gz YVMOVANREBPMIC-UHFFFAOYSA-N 1 2 226.345 2.642 20 0 BFADLO CN(Cc1ccno1)c1cc2ccccc2c[nH+]1 ZINC001157351330 963578687 /nfs/dbraw/zinc/57/86/87/963578687.db2.gz VRQCVYPPKHHDJX-UHFFFAOYSA-N 1 2 239.278 2.859 20 0 BFADLO CCSc1cc[nH+]c(N(C)Cc2ccno2)c1 ZINC001157355924 963582870 /nfs/dbraw/zinc/58/28/70/963582870.db2.gz YPLCHOCPGTWLLI-UHFFFAOYSA-N 1 2 249.339 2.818 20 0 BFADLO CCC1(Nc2[nH+]c(C)cc(Cl)c2C)COC1 ZINC001157536093 963646942 /nfs/dbraw/zinc/64/69/42/963646942.db2.gz LDLOCVYVQPKYAD-UHFFFAOYSA-N 1 2 240.734 2.943 20 0 BFADLO c1ccc2cc(NC3CSC3)[nH+]cc2c1 ZINC001157577132 963669564 /nfs/dbraw/zinc/66/95/64/963669564.db2.gz QFWXIVIOQFKLEA-UHFFFAOYSA-N 1 2 216.309 2.762 20 0 BFADLO COc1cc(C)c[nH+]c1NC(C1CC1)C1CC1 ZINC001157921599 963767947 /nfs/dbraw/zinc/76/79/47/963767947.db2.gz QDKWBPPKPGBWSZ-UHFFFAOYSA-N 1 2 232.327 2.999 20 0 BFADLO CCCc1ccc(C[NH+]2CCC(=O)CC2)cc1 ZINC001142354370 963898930 /nfs/dbraw/zinc/89/89/30/963898930.db2.gz OAHCUZHVTJBWCX-UHFFFAOYSA-N 1 2 231.339 2.804 20 0 BFADLO Cc1cc(NC[C@H]2C[C@H](F)C2)c[nH+]c1C ZINC001168238025 964028571 /nfs/dbraw/zinc/02/85/71/964028571.db2.gz PWDBZTFAZGEARU-XYPYZODXSA-N 1 2 208.280 2.858 20 0 BFADLO COc1cc(C)cc(F)c1Nc1ccc(N)[nH+]c1 ZINC001159282337 964054097 /nfs/dbraw/zinc/05/40/97/964054097.db2.gz TVPVYSUVPBUJLB-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CSc1cc[nH+]c(N[C@@H]2CCOC[C@H]2C)c1 ZINC001159716924 964167574 /nfs/dbraw/zinc/16/75/74/964167574.db2.gz SILITZDPILRKEH-MWLCHTKSSA-N 1 2 238.356 2.640 20 0 BFADLO Clc1ccccc1-c1noc(C[NH+]2CCC2)n1 ZINC001212093111 964249860 /nfs/dbraw/zinc/24/98/60/964249860.db2.gz GMQXRWSIZMPUAN-UHFFFAOYSA-N 1 2 249.701 2.596 20 0 BFADLO Clc1cccc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095295 964252111 /nfs/dbraw/zinc/25/21/11/964252111.db2.gz AAHGKFJNFMHWKG-UHFFFAOYSA-N 1 2 249.701 2.596 20 0 BFADLO COc1cc(Nc2cccc3[nH+]c[nH]c32)ccn1 ZINC001213027401 964442372 /nfs/dbraw/zinc/44/23/72/964442372.db2.gz XYTGJGSZZHZVEJ-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO S=c1[nH]cccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213028016 964463909 /nfs/dbraw/zinc/46/39/09/964463909.db2.gz FKZQGXMSIWDRFY-UHFFFAOYSA-N 1 2 242.307 2.990 20 0 BFADLO CCC1(CNc2c[nH+]c(C)c(C)c2)COC1 ZINC001168332904 964468487 /nfs/dbraw/zinc/46/84/87/964468487.db2.gz XKEXZLRXNLHSDH-UHFFFAOYSA-N 1 2 220.316 2.537 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000924642581 964524375 /nfs/dbraw/zinc/52/43/75/964524375.db2.gz DGBUVHRVJXWICQ-KCJUWKMLSA-N 1 2 247.298 2.699 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000924642590 964526957 /nfs/dbraw/zinc/52/69/57/964526957.db2.gz DGBUVHRVJXWICQ-LDYMZIIASA-N 1 2 247.298 2.699 20 0 BFADLO FC(F)n1cc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213030749 964550099 /nfs/dbraw/zinc/55/00/99/964550099.db2.gz PJBXRVNFCLFAKN-UHFFFAOYSA-N 1 2 249.224 2.898 20 0 BFADLO c1cc(-c2cc[nH+]c(NC3CSC3)c2)ccn1 ZINC001168360017 964555268 /nfs/dbraw/zinc/55/52/68/964555268.db2.gz RCHMUYSDMHRQQH-UHFFFAOYSA-N 1 2 243.335 2.671 20 0 BFADLO c1cn(CCCNc2cncc(C3CC3)c2)c[nH+]1 ZINC001161688234 964684242 /nfs/dbraw/zinc/68/42/42/964684242.db2.gz MKSZMKHNALYFCB-UHFFFAOYSA-N 1 2 242.326 2.658 20 0 BFADLO Cc1cc(NCCOC(C)C)[nH+]c2cc[nH]c21 ZINC001161795506 964760716 /nfs/dbraw/zinc/76/07/16/964760716.db2.gz BCWIUNDWUREXPM-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO CN(C)c1cc(NCC(C)(C)CC2CC2)[nH+]cn1 ZINC001162121611 964848086 /nfs/dbraw/zinc/84/80/86/964848086.db2.gz ABUDQNOPSAWGNQ-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CN(C)c1cc(NCC(C)(C)CC2CC2)nc[nH+]1 ZINC001162121611 964848091 /nfs/dbraw/zinc/84/80/91/964848091.db2.gz ABUDQNOPSAWGNQ-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CN(C)c1cc(Cl)[nH+]c(NCC(C)(F)F)c1 ZINC001162228451 964882410 /nfs/dbraw/zinc/88/24/10/964882410.db2.gz PTOBBGNBJQDNJR-UHFFFAOYSA-N 1 2 249.692 2.868 20 0 BFADLO Cc1cc(N[C@@H](CO)CC(C)C)c[nH+]c1C ZINC001162370534 964947777 /nfs/dbraw/zinc/94/77/77/964947777.db2.gz IPMUMNDTOZLLPN-CYBMUJFWSA-N 1 2 222.332 2.517 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cnc(C(F)(F)F)cn1 ZINC001162657151 965091413 /nfs/dbraw/zinc/09/14/13/965091413.db2.gz HNHDUJMJXFWHKQ-UHFFFAOYSA-N 1 2 246.236 2.931 20 0 BFADLO CC(C)Oc1cc(NCc2cccn2C)cc[nH+]1 ZINC001162709669 965134265 /nfs/dbraw/zinc/13/42/65/965134265.db2.gz YQXYQUHLCNSNQM-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CCCN(CC)c1[nH+]c(C)ccc1OC ZINC001163601882 965475951 /nfs/dbraw/zinc/47/59/51/965475951.db2.gz FQWTXKOWYQYRBL-UHFFFAOYSA-N 1 2 208.305 2.635 20 0 BFADLO Cc1nc(N2CC(C)(C)C2)cc(C(C)C)[nH+]1 ZINC001163723837 965535312 /nfs/dbraw/zinc/53/53/12/965535312.db2.gz AZKMBZCHGSIVMJ-UHFFFAOYSA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cccc2c1cc[nH+]c2N1CC=CC1 ZINC001163917792 965628443 /nfs/dbraw/zinc/62/84/43/965628443.db2.gz ZZJJTGMLOPKZDE-UHFFFAOYSA-N 1 2 210.280 2.919 20 0 BFADLO C[C@H]1C[C@@H](CO)N(c2ccc(C(C)(C)C)c[nH+]2)C1 ZINC001164154694 965765024 /nfs/dbraw/zinc/76/50/24/965765024.db2.gz SEWIFFPKAGKUPB-AAEUAGOBSA-N 1 2 248.370 2.586 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC[C@@H](C)[C@H](F)C1 ZINC001164177140 965778369 /nfs/dbraw/zinc/77/83/69/965778369.db2.gz BWPABXZAMOXURU-LDYMZIIASA-N 1 2 226.270 2.713 20 0 BFADLO CC(C)(C)c1ccc(N2C[C@@H](F)[C@H](F)C2)[nH+]c1 ZINC001164218022 965801098 /nfs/dbraw/zinc/80/10/98/965801098.db2.gz VGXLHOMCNLLCLZ-GHMZBOCLSA-N 1 2 240.297 2.875 20 0 BFADLO C[C@H]1C[C@@H](CF)N(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164259982 965811614 /nfs/dbraw/zinc/81/16/14/965811614.db2.gz DIIQOKMLJCSYEI-YUMQZZPRSA-N 1 2 243.713 2.502 20 0 BFADLO C[C@H]1CC[C@@H](CO)N1c1cc2ccccc2c[nH+]1 ZINC001164304553 965834103 /nfs/dbraw/zinc/83/41/03/965834103.db2.gz IMQGINHGNXRLKZ-FZMZJTMJSA-N 1 2 242.322 2.584 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)CC[C@@]1(C)O ZINC001164355297 965856471 /nfs/dbraw/zinc/85/64/71/965856471.db2.gz XRDFCCNGQGAEHE-XHDPSFHLSA-N 1 2 246.354 2.556 20 0 BFADLO Cn1c[nH+]c2ccc(NC[C@H]3CCCCO3)cc21 ZINC001165230340 965997043 /nfs/dbraw/zinc/99/70/43/965997043.db2.gz VRBDIODCFHVXLQ-GFCCVEGCSA-N 1 2 245.326 2.554 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@@]3(CCOC3)C2)c1 ZINC001165255366 966013326 /nfs/dbraw/zinc/01/33/26/966013326.db2.gz MYEFUJFXOUOJIG-OAHLLOKOSA-N 1 2 244.338 2.576 20 0 BFADLO Cc1c(F)cc[nH+]c1N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001165295227 966033237 /nfs/dbraw/zinc/03/32/37/966033237.db2.gz HNZPIRABAGZSHT-BDAKNGLRSA-N 1 2 242.244 2.621 20 0 BFADLO Cc1c[nH+]cc(NC2(c3cccnn3)CC2)c1C ZINC001168515772 966220934 /nfs/dbraw/zinc/22/09/34/966220934.db2.gz KZMBFZNNQHBNLR-UHFFFAOYSA-N 1 2 240.310 2.590 20 0 BFADLO CNc1ccc(Nc2cccc([C@H](C)O)c2)c[nH+]1 ZINC001203454417 966222231 /nfs/dbraw/zinc/22/22/31/966222231.db2.gz DLZNFLLZBHAWRN-JTQLQIEISA-N 1 2 243.310 2.920 20 0 BFADLO Cc1cc(-c2cccnc2OC(C)C)c[nH+]c1N ZINC001236103318 966270315 /nfs/dbraw/zinc/27/03/15/966270315.db2.gz CVDUAALREKNZDQ-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919126641 966292694 /nfs/dbraw/zinc/29/26/94/966292694.db2.gz JLMJBJQVOVLYJE-UHFFFAOYSA-N 1 2 200.285 2.884 20 0 BFADLO COCCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150464 966293705 /nfs/dbraw/zinc/29/37/05/966293705.db2.gz KLFVOOPCYLRTQS-UHFFFAOYSA-N 1 2 244.338 2.901 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1C[C@H]1CCCO1 ZINC000919126677 966294645 /nfs/dbraw/zinc/29/46/45/966294645.db2.gz KLKWYAWRWTZVTP-OAHLLOKOSA-N 1 2 242.322 2.653 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1C[C@@H]1CCCO1 ZINC000919126676 966296752 /nfs/dbraw/zinc/29/67/52/966296752.db2.gz KLKWYAWRWTZVTP-HNNXBMFYSA-N 1 2 242.322 2.653 20 0 BFADLO CN(CC1(C)COC1)c1ccc(C(C)(C)C)c[nH+]1 ZINC001166712045 966376594 /nfs/dbraw/zinc/37/65/94/966376594.db2.gz VJZSEXGUKROXJP-UHFFFAOYSA-N 1 2 248.370 2.852 20 0 BFADLO CCOc1cc(Nc2cc[nH]c(=O)c2)cc(C)[nH+]1 ZINC001212269308 966409418 /nfs/dbraw/zinc/40/94/18/966409418.db2.gz GBVKMSQSMIILPS-UHFFFAOYSA-N 1 2 245.282 2.633 20 0 BFADLO CO[C@@H]1CCCN(c2ccc(C(C)(C)C)c[nH+]2)C1 ZINC001166953751 966482274 /nfs/dbraw/zinc/48/22/74/966482274.db2.gz ZISZEQQGLPDDNP-CYBMUJFWSA-N 1 2 248.370 2.994 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(F)c(N)c1 ZINC001212327747 966488291 /nfs/dbraw/zinc/48/82/91/966488291.db2.gz BFMXOJQOIBCUNM-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1cc(Cl)c(C)c(N(C)C2(C)COC2)[nH+]1 ZINC001166985762 966506559 /nfs/dbraw/zinc/50/65/59/966506559.db2.gz KCDGICOHNMPYOL-UHFFFAOYSA-N 1 2 240.734 2.577 20 0 BFADLO Cc1ccc(Nc2cnnc(Cl)c2)c(C)[nH+]1 ZINC001203363199 966612160 /nfs/dbraw/zinc/61/21/60/966612160.db2.gz NKRJMVPBEWYKIP-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1ccc(Nc2nnc(C(C)C)o2)c(C)[nH+]1 ZINC001203363450 966612820 /nfs/dbraw/zinc/61/28/20/966612820.db2.gz QWEHVDUEBTVMKH-UHFFFAOYSA-N 1 2 232.287 2.948 20 0 BFADLO Cc1ccc(Nc2ccc(CCO)cc2)c(C)[nH+]1 ZINC001203373270 966617672 /nfs/dbraw/zinc/61/76/72/966617672.db2.gz JTTOLUXENNQSKQ-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO CNc1ccc(Nc2ncc(F)cc2F)c[nH+]1 ZINC001203448810 966648796 /nfs/dbraw/zinc/64/87/96/966648796.db2.gz LGHGJSHPBQPQGC-UHFFFAOYSA-N 1 2 236.225 2.540 20 0 BFADLO CNc1ccc(Nc2cnc(F)cc2C)c[nH+]1 ZINC001203448928 966649076 /nfs/dbraw/zinc/64/90/76/966649076.db2.gz RIBJDCLCBDAZIW-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO CNc1ccc(Nc2ccccc2[C@@H](C)O)c[nH+]1 ZINC001203460331 966653561 /nfs/dbraw/zinc/65/35/61/966653561.db2.gz UHHOHCPDSNNCMJ-SNVBAGLBSA-N 1 2 243.310 2.920 20 0 BFADLO CC[N@H+](Cc1occc1OC)Cc1ccncc1 ZINC001237863095 966699616 /nfs/dbraw/zinc/69/96/16/966699616.db2.gz KGJPVVHJBGSBMG-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1occc1OC)Cc1ccncc1 ZINC001237863095 966699624 /nfs/dbraw/zinc/69/96/24/966699624.db2.gz KGJPVVHJBGSBMG-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO COc1ccoc1C[N@H+](C)Cc1cccc(O)c1 ZINC001237862545 966699931 /nfs/dbraw/zinc/69/99/31/966699931.db2.gz COIUHUMTYDMJCX-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO COc1ccoc1C[N@@H+](C)Cc1cccc(O)c1 ZINC001237862545 966699933 /nfs/dbraw/zinc/69/99/33/966699933.db2.gz COIUHUMTYDMJCX-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO CNc1ccc(Nc2ccc(C)cc2O)c[nH+]1 ZINC001203455622 966740836 /nfs/dbraw/zinc/74/08/36/966740836.db2.gz VSAUARFHKOTDQV-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO Cc1cnc2c(c1)C[N@@H+](Cc1ccoc1)CC2 ZINC001204244357 966943554 /nfs/dbraw/zinc/94/35/54/966943554.db2.gz DJRYDZCJOFTPLC-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cnc2c(c1)C[N@H+](Cc1ccoc1)CC2 ZINC001204244357 966943564 /nfs/dbraw/zinc/94/35/64/966943564.db2.gz DJRYDZCJOFTPLC-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3ccncc3C2)o1 ZINC001204393380 966987898 /nfs/dbraw/zinc/98/78/98/966987898.db2.gz UUPNXBKENUTCIS-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3ccncc3C2)o1 ZINC001204393380 966987905 /nfs/dbraw/zinc/98/79/05/966987905.db2.gz UUPNXBKENUTCIS-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO Fc1ccccc1-c1cc[nH+]c2c1CCN2 ZINC001239556758 966993517 /nfs/dbraw/zinc/99/35/17/966993517.db2.gz MBTNSXFDXRBJHO-UHFFFAOYSA-N 1 2 214.243 2.856 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cnc(C)nc2)oc1C ZINC001204539067 967040904 /nfs/dbraw/zinc/04/09/04/967040904.db2.gz JXOVZQHWACEEDW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cnc(C)nc2)oc1C ZINC001204539067 967040914 /nfs/dbraw/zinc/04/09/14/967040914.db2.gz JXOVZQHWACEEDW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO COC(=[NH2+])c1cccc(-c2ccncc2)c1 ZINC001239610862 967041387 /nfs/dbraw/zinc/04/13/87/967041387.db2.gz CGWKFMNYDYDRBV-UHFFFAOYSA-N 1 2 212.252 2.720 20 0 BFADLO Cc1[nH+]c[nH]c1CN1Cc2ccc(Cl)cc2C1 ZINC001204592706 967088767 /nfs/dbraw/zinc/08/87/67/967088767.db2.gz PTIHYGVHNUEYRZ-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Cc1c[nH+]cc(NCCOc2cccnc2)c1C ZINC001168620212 967114821 /nfs/dbraw/zinc/11/48/21/967114821.db2.gz DNRACCMBJYKIHU-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO Nc1ccc(Cl)cc1Nc1[nH+]cccc1N ZINC001212427463 967172176 /nfs/dbraw/zinc/17/21/76/967172176.db2.gz QOFZRHORMANYFA-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO c1cn2cc(CCOc3ccccc3)ccc2[nH+]1 ZINC001249932411 967172295 /nfs/dbraw/zinc/17/22/95/967172295.db2.gz NLXUGVIIMHPXQD-UHFFFAOYSA-N 1 2 238.290 2.956 20 0 BFADLO COc1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC000094854087 967270391 /nfs/dbraw/zinc/27/03/91/967270391.db2.gz FQMHZFCBPIXJQD-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO Nc1ccc2ccn(-c3ccn4cc[nH+]c4c3)c2c1 ZINC001204978266 967272182 /nfs/dbraw/zinc/27/21/82/967272182.db2.gz RRAFGFCMKLNWCQ-UHFFFAOYSA-N 1 2 248.289 2.860 20 0 BFADLO Cc1cccc(N)c1Nc1ccn2cc[nH+]c2c1 ZINC001204983038 967273940 /nfs/dbraw/zinc/27/39/40/967273940.db2.gz MQOOPYWIDQRIOU-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO CNc1cc(-c2ccc(CO)c(C)c2C)cc[nH+]1 ZINC001204992095 967276125 /nfs/dbraw/zinc/27/61/25/967276125.db2.gz VXSFGCGRWBEJQQ-UHFFFAOYSA-N 1 2 242.322 2.899 20 0 BFADLO Cc1[nH]c2ccc(C[C@H]3CCCO3)cc2[nH+]1 ZINC001250106982 967385004 /nfs/dbraw/zinc/38/50/04/967385004.db2.gz YHCWHMCFFBLDQZ-LLVKDONJSA-N 1 2 216.284 2.593 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(C)cc2F)CCO1 ZINC001205192812 967416916 /nfs/dbraw/zinc/41/69/16/967416916.db2.gz CCIZATIDIODHDM-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(C)cc2F)CCO1 ZINC001205192812 967416923 /nfs/dbraw/zinc/41/69/23/967416923.db2.gz CCIZATIDIODHDM-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cnc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001240213706 967425280 /nfs/dbraw/zinc/42/52/80/967425280.db2.gz BMKCAABPMUNLTJ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO S=c1ccc(-c2ccc3[nH+]ccn3c2)c[nH]1 ZINC001240219751 967427119 /nfs/dbraw/zinc/42/71/19/967427119.db2.gz UQVBYNGDOMTCGS-UHFFFAOYSA-N 1 2 227.292 2.685 20 0 BFADLO Fc1cncc(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001240232887 967438820 /nfs/dbraw/zinc/43/88/20/967438820.db2.gz GIXZMKVZWFGBRY-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO Cc1[nH+]cc(Cc2cccc(F)c2F)cc1N ZINC001250150912 967440123 /nfs/dbraw/zinc/44/01/23/967440123.db2.gz FQWQJJBHWTZJJC-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC001250172193 967474260 /nfs/dbraw/zinc/47/42/60/967474260.db2.gz WQVFWOIQSVTVBY-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+]1CCOC[C@@H]1C ZINC001250172193 967474263 /nfs/dbraw/zinc/47/42/63/967474263.db2.gz WQVFWOIQSVTVBY-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO COc1cc[nH+]c(Nc2cccnc2C)c1 ZINC001205338661 967553003 /nfs/dbraw/zinc/55/30/03/967553003.db2.gz KXPCNBJDLLLYQI-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO CCN(C)c1ccc(Nc2cccnc2C)c[nH+]1 ZINC001205354544 967573582 /nfs/dbraw/zinc/57/35/82/967573582.db2.gz CAPJITWCOJVFQP-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO c1cn(CCc2cccc(N3CCCC3)c2)c[nH+]1 ZINC001250315841 967675997 /nfs/dbraw/zinc/67/59/97/967675997.db2.gz SRIAHSKQXNRGRH-UHFFFAOYSA-N 1 2 241.338 2.726 20 0 BFADLO COc1cccc(CCn2cc[nH+]c2)c1Cl ZINC001250316594 967685090 /nfs/dbraw/zinc/68/50/90/967685090.db2.gz NXCFPYDKCASLLQ-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO Clc1ccnc(Cl)c1CCn1cc[nH+]c1 ZINC001250319407 967692604 /nfs/dbraw/zinc/69/26/04/967692604.db2.gz CWYRSWIMXHRYJN-UHFFFAOYSA-N 1 2 242.109 2.828 20 0 BFADLO FC(F)Oc1cccc(CCn2cc[nH+]c2)c1 ZINC001250319479 967693431 /nfs/dbraw/zinc/69/34/31/967693431.db2.gz RWNHFDJJRPNGIZ-UHFFFAOYSA-N 1 2 238.237 2.727 20 0 BFADLO Clc1ccc(CCn2cc[nH+]c2)c2n[nH]cc21 ZINC001250319452 967693525 /nfs/dbraw/zinc/69/35/25/967693525.db2.gz DTIVMMHQTLNQBY-UHFFFAOYSA-N 1 2 246.701 2.656 20 0 BFADLO CCN(CC)c1ccc(CCn2cc[nH+]c2)cc1 ZINC001250319510 967693603 /nfs/dbraw/zinc/69/36/03/967693603.db2.gz SQVMJPWWVCROEX-UHFFFAOYSA-N 1 2 243.354 2.972 20 0 BFADLO Cc1cc(CCn2cc[nH+]c2)cnc1OC(C)C ZINC001250319098 967693969 /nfs/dbraw/zinc/69/39/69/967693969.db2.gz AOSUWGRZYLYFCZ-UHFFFAOYSA-N 1 2 245.326 2.616 20 0 BFADLO CO[C@H](C)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250319041 967694721 /nfs/dbraw/zinc/69/47/21/967694721.db2.gz PRENJHQOJSNOQO-GFCCVEGCSA-N 1 2 230.311 2.833 20 0 BFADLO Cc1noc2ccc(CCn3cc[nH+]c3)cc12 ZINC001250320782 967696771 /nfs/dbraw/zinc/69/67/71/967696771.db2.gz PYVJHBMMXXKORR-UHFFFAOYSA-N 1 2 227.267 2.575 20 0 BFADLO CCOc1cc(C)ccc1CCn1cc[nH+]c1 ZINC001250321184 967700003 /nfs/dbraw/zinc/70/00/03/967700003.db2.gz XHSPMZNCTJFVGT-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO CCCCNc1ccc([C@H](C)C(=O)OC)c[nH+]1 ZINC001162202388 967733936 /nfs/dbraw/zinc/73/39/36/967733936.db2.gz UJLQWOVPLAAQSG-JTQLQIEISA-N 1 2 236.315 2.570 20 0 BFADLO COC(C)(C)Cc1ccc(N2CCCC2)[nH+]c1 ZINC001250351013 967746721 /nfs/dbraw/zinc/74/67/21/967746721.db2.gz CKQJKOPFQAFSDQ-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO FC(F)Cc1c[nH+]cn1Cc1ccccc1 ZINC001250394711 967809226 /nfs/dbraw/zinc/80/92/26/967809226.db2.gz XQAIAJOFZIGAFP-UHFFFAOYSA-N 1 2 222.238 2.739 20 0 BFADLO Cc1cccnc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001205770577 967818866 /nfs/dbraw/zinc/81/88/66/967818866.db2.gz MDMVLPFMDOUMJX-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccnc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001205770577 967818869 /nfs/dbraw/zinc/81/88/69/967818869.db2.gz MDMVLPFMDOUMJX-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO CCCn1c(C)[nH+]c2ccc(OC)cc21 ZINC001250424988 967837996 /nfs/dbraw/zinc/83/79/96/967837996.db2.gz XUQZGYLLYHIHDC-UHFFFAOYSA-N 1 2 204.273 2.763 20 0 BFADLO CC(C)(Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC001162518451 967853570 /nfs/dbraw/zinc/85/35/70/967853570.db2.gz SPQAHPOLXJIPKB-UHFFFAOYSA-N 1 2 215.300 2.935 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cnc(C)nc2)cc1 ZINC001205870078 967866078 /nfs/dbraw/zinc/86/60/78/967866078.db2.gz UAGUFFWRFQDZSR-UHFFFAOYSA-N 1 2 241.294 2.814 20 0 BFADLO O=C1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001143243765 967896034 /nfs/dbraw/zinc/89/60/34/967896034.db2.gz APIQMQWDXGWNFO-UHFFFAOYSA-N 1 2 239.265 2.789 20 0 BFADLO c1[nH+]cn(Cc2ccccc2)c1-c1ccncc1 ZINC001250472828 967897431 /nfs/dbraw/zinc/89/74/31/967897431.db2.gz QNSXWGRHYUXMTO-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc(O)cc1F ZINC001206064548 968027893 /nfs/dbraw/zinc/02/78/93/968027893.db2.gz GKYRMMCNAFOSBJ-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO COc1cc2cc[nH+]c(N3CCC3)c2cc1F ZINC001163537935 968048661 /nfs/dbraw/zinc/04/86/61/968048661.db2.gz CKVOCBCRGKQSAH-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO Cc1cc(F)cc2[nH+]c([C@@H]3CCCOC3)[nH]c21 ZINC001250550369 968057010 /nfs/dbraw/zinc/05/70/10/968057010.db2.gz XWIYELUQRHMOIU-SECBINFHSA-N 1 2 234.274 2.904 20 0 BFADLO COc1cc2[nH+]c([C@H]3C[C@H]3C)[nH]c2cc1F ZINC001250615198 968163281 /nfs/dbraw/zinc/16/32/81/968163281.db2.gz NEIKXYKZKBPCPK-RQJHMYQMSA-N 1 2 220.247 2.834 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccccc1N ZINC001206315213 968223015 /nfs/dbraw/zinc/22/30/15/968223015.db2.gz HNARGRCRPMCEPY-UHFFFAOYSA-N 1 2 213.284 2.970 20 0 BFADLO O=C1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC001165464933 968288730 /nfs/dbraw/zinc/28/87/30/968288730.db2.gz TXIWSFYIVQISCJ-UHFFFAOYSA-N 1 2 240.306 2.794 20 0 BFADLO CNc1ccc(Nc2cnc(F)c(C)c2)c[nH+]1 ZINC001203449037 968437434 /nfs/dbraw/zinc/43/74/34/968437434.db2.gz WYWHAKQMFBHQRL-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO COc1cc(C)ccc1C[N@H+](C)Cc1ccno1 ZINC001206783022 968467512 /nfs/dbraw/zinc/46/75/12/968467512.db2.gz MEBXIQJEKMCMQX-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc(C)ccc1C[N@@H+](C)Cc1ccno1 ZINC001206783022 968467516 /nfs/dbraw/zinc/46/75/16/968467516.db2.gz MEBXIQJEKMCMQX-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC[C@@H]1CCC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001252056992 968471749 /nfs/dbraw/zinc/47/17/49/968471749.db2.gz MIZSVZDXYZJIMX-YNEHKIRRSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H](C(F)F)C2)cs1 ZINC001206802055 968486555 /nfs/dbraw/zinc/48/65/55/968486555.db2.gz ZOLSMNBYFJKUBE-VIFPVBQESA-N 1 2 246.326 2.929 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H](C(F)F)C2)cs1 ZINC001206802055 968486558 /nfs/dbraw/zinc/48/65/58/968486558.db2.gz ZOLSMNBYFJKUBE-VIFPVBQESA-N 1 2 246.326 2.929 20 0 BFADLO Fc1ccc(-c2cc(C[NH+]3CC=CC3)no2)cc1 ZINC001206835680 968493140 /nfs/dbraw/zinc/49/31/40/968493140.db2.gz YUTRVCYTEVTMCP-UHFFFAOYSA-N 1 2 244.269 2.853 20 0 BFADLO CCCCC[N@H+](C)Cc1c(F)cncc1F ZINC001206855849 968502960 /nfs/dbraw/zinc/50/29/60/968502960.db2.gz MHJSCZBJXGOBFO-UHFFFAOYSA-N 1 2 228.286 2.982 20 0 BFADLO CCCCC[N@@H+](C)Cc1c(F)cncc1F ZINC001206855849 968502968 /nfs/dbraw/zinc/50/29/68/968502968.db2.gz MHJSCZBJXGOBFO-UHFFFAOYSA-N 1 2 228.286 2.982 20 0 BFADLO Fc1ccc(C[N@H+](Cc2ccco2)C2CC2)nc1 ZINC001207042772 968575646 /nfs/dbraw/zinc/57/56/46/968575646.db2.gz MPBCYOSOGYSSNU-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2ccco2)C2CC2)nc1 ZINC001207042772 968575649 /nfs/dbraw/zinc/57/56/49/968575649.db2.gz MPBCYOSOGYSSNU-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO COc1cc(-c2cccn3cc[nH+]c23)ccc1O ZINC001240615133 968575651 /nfs/dbraw/zinc/57/56/51/968575651.db2.gz GJCIMFSXLNXJNX-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CN(CCC1CC1)Cc1[nH+]cc2ccccn21 ZINC001207055732 968586094 /nfs/dbraw/zinc/58/60/94/968586094.db2.gz FGCNYIBTBPJORW-UHFFFAOYSA-N 1 2 229.327 2.566 20 0 BFADLO FCC1CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207096921 968626164 /nfs/dbraw/zinc/62/61/64/968626164.db2.gz IQMBIYCNVYQEHA-UHFFFAOYSA-N 1 2 244.260 2.541 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)ccc1O ZINC001240696536 968643848 /nfs/dbraw/zinc/64/38/48/968643848.db2.gz IHSNJPSTHJGZGV-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Cc1[nH]c(CNC(=O)CC2(C)CCCC2)[nH+]c1C ZINC000827802418 968705634 /nfs/dbraw/zinc/70/56/34/968705634.db2.gz JVKLLQQBNCBBCK-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1Cc2ncsc2C1 ZINC001207632818 968847461 /nfs/dbraw/zinc/84/74/61/968847461.db2.gz SVYZNEKNTAPMLL-AXFHLTTASA-N 1 2 232.352 2.671 20 0 BFADLO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1Cc2ncsc2C1 ZINC001207632818 968847466 /nfs/dbraw/zinc/84/74/66/968847466.db2.gz SVYZNEKNTAPMLL-AXFHLTTASA-N 1 2 232.352 2.671 20 0 BFADLO COc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1C ZINC001241032100 968867282 /nfs/dbraw/zinc/86/72/82/968867282.db2.gz IFSKGXWIMQZYEL-UHFFFAOYSA-N 1 2 239.278 2.894 20 0 BFADLO Cc1cc(-c2ccccc2N)c2[nH+]ccn2c1 ZINC001241072773 968888624 /nfs/dbraw/zinc/88/86/24/968888624.db2.gz ZARCWKGGSZSDLQ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccccc1N ZINC001241072665 968891022 /nfs/dbraw/zinc/89/10/22/968891022.db2.gz RBTSXGXYWQBMSI-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO C[C@H](C[N@@H+]1CCCC(=O)[C@H](F)C1)c1ccccc1 ZINC001207899961 968923262 /nfs/dbraw/zinc/92/32/62/968923262.db2.gz RECCCJMEOKFHAG-TZMCWYRMSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@H](C[N@H+]1CCCC(=O)[C@H](F)C1)c1ccccc1 ZINC001207899961 968923267 /nfs/dbraw/zinc/92/32/67/968923267.db2.gz RECCCJMEOKFHAG-TZMCWYRMSA-N 1 2 249.329 2.793 20 0 BFADLO Nc1cc(-c2ccc(-c3cnco3)cc2)cc[nH+]1 ZINC001241162884 968943318 /nfs/dbraw/zinc/94/33/18/968943318.db2.gz OJWZZTFLZYOIJW-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1cc(-c2cc3cc[nH]c3c(F)c2)cc[nH+]1 ZINC001241162435 968944012 /nfs/dbraw/zinc/94/40/12/968944012.db2.gz JBSNUUBJYYFGPD-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Cc1cc(-c2ccncc2F)cn2cc[nH+]c12 ZINC001241226313 968953240 /nfs/dbraw/zinc/95/32/40/968953240.db2.gz ABOSUONKRNEIFV-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO O=C1CCC[N@H+](CCCC2CCCC2)C1 ZINC001208091484 968996911 /nfs/dbraw/zinc/99/69/11/968996911.db2.gz HKQHZKBUZRLXOO-UHFFFAOYSA-N 1 2 209.333 2.622 20 0 BFADLO O=C1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001208091484 968996919 /nfs/dbraw/zinc/99/69/19/968996919.db2.gz HKQHZKBUZRLXOO-UHFFFAOYSA-N 1 2 209.333 2.622 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)cc2c[nH]nc21 ZINC001241515533 969023749 /nfs/dbraw/zinc/02/37/49/969023749.db2.gz MLBPJDPFVPWTFW-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO C[N@H+](Cc1ccon1)[C@@H]1CCc2c1cccc2F ZINC001253346061 969139737 /nfs/dbraw/zinc/13/97/37/969139737.db2.gz HQBOYFMEZSIFBH-CQSZACIVSA-N 1 2 246.285 2.933 20 0 BFADLO C[N@@H+](Cc1ccon1)[C@@H]1CCc2c1cccc2F ZINC001253346061 969139741 /nfs/dbraw/zinc/13/97/41/969139741.db2.gz HQBOYFMEZSIFBH-CQSZACIVSA-N 1 2 246.285 2.933 20 0 BFADLO CCOc1ccc(-c2[nH]cc[nH+]2)cc1C ZINC001242018396 969173494 /nfs/dbraw/zinc/17/34/94/969173494.db2.gz LPDIKXJPMPWWTR-UHFFFAOYSA-N 1 2 202.257 2.784 20 0 BFADLO CNc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC001156135002 969196665 /nfs/dbraw/zinc/19/66/65/969196665.db2.gz QVFBRDRZGPWGCR-UHFFFAOYSA-N 1 2 243.310 2.744 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1cc2ccccc2nn1 ZINC001242073074 969197114 /nfs/dbraw/zinc/19/71/14/969197114.db2.gz VVBYPMCHOIFUBD-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccc(O)c(C)c3)nc2[nH]1 ZINC001242102772 969203748 /nfs/dbraw/zinc/20/37/48/969203748.db2.gz PTRWWCMDOTZRFJ-UHFFFAOYSA-N 1 2 239.278 2.899 20 0 BFADLO COC1C[NH+](CCCc2ccccc2Cl)C1 ZINC001208872619 969259808 /nfs/dbraw/zinc/25/98/08/969259808.db2.gz SMSULUCFXVDEBZ-UHFFFAOYSA-N 1 2 239.746 2.603 20 0 BFADLO Fc1c[nH]c2nc[nH+]c(NCCC3CCC3)c12 ZINC001168883048 969260013 /nfs/dbraw/zinc/26/00/13/969260013.db2.gz FYQHRLSPEVEQST-UHFFFAOYSA-N 1 2 234.278 2.651 20 0 BFADLO C[C@H](c1nc(CCC(C)(C)C)no1)n1cc[nH+]c1 ZINC000349775003 969280054 /nfs/dbraw/zinc/28/00/54/969280054.db2.gz CGZXGHKLBSWQFY-SNVBAGLBSA-N 1 2 248.330 2.854 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2ncccc12 ZINC000720531319 969524806 /nfs/dbraw/zinc/52/48/06/969524806.db2.gz DOQRWAJIBIRDDH-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO CC[N@H+](Cc1cncs1)Cc1cccnc1 ZINC001209550260 969539721 /nfs/dbraw/zinc/53/97/21/969539721.db2.gz XYDLOMMPDHRKLT-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cncs1)Cc1cccnc1 ZINC001209550260 969539729 /nfs/dbraw/zinc/53/97/29/969539729.db2.gz XYDLOMMPDHRKLT-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO Cc1ccsc1C[N@H+]1CCc2oc(C)nc2C1 ZINC001204023296 969539734 /nfs/dbraw/zinc/53/97/34/969539734.db2.gz FUYJHSKJMFDLCD-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCc2oc(C)nc2C1 ZINC001204023296 969539744 /nfs/dbraw/zinc/53/97/44/969539744.db2.gz FUYJHSKJMFDLCD-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)[nH]1 ZINC001209566710 969546317 /nfs/dbraw/zinc/54/63/17/969546317.db2.gz RBBPRMRSJAPKKR-AWEZNQCLSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)[nH]1 ZINC001209566710 969546323 /nfs/dbraw/zinc/54/63/23/969546323.db2.gz RBBPRMRSJAPKKR-AWEZNQCLSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)[nH]1 ZINC001209567993 969550419 /nfs/dbraw/zinc/55/04/19/969550419.db2.gz AXSJTMCUVRVGNF-RYUDHWBXSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)[nH]1 ZINC001209567993 969550423 /nfs/dbraw/zinc/55/04/23/969550423.db2.gz AXSJTMCUVRVGNF-RYUDHWBXSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)[nH]1 ZINC001209567988 969551395 /nfs/dbraw/zinc/55/13/95/969551395.db2.gz AXSJTMCUVRVGNF-NEPJUHHUSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)[nH]1 ZINC001209567988 969551399 /nfs/dbraw/zinc/55/13/99/969551399.db2.gz AXSJTMCUVRVGNF-NEPJUHHUSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1nc(N[C@@H](C2CCC2)C(F)(F)F)cc[nH+]1 ZINC001169286136 969555881 /nfs/dbraw/zinc/55/58/81/969555881.db2.gz SDAVMYIGODDXEC-JTQLQIEISA-N 1 2 245.248 2.928 20 0 BFADLO c1[nH]c2ccc(Nc3ccccn3)cc2[nH+]1 ZINC001209841345 969646838 /nfs/dbraw/zinc/64/68/38/969646838.db2.gz JPLJKHUREVGQJY-UHFFFAOYSA-N 1 2 210.240 2.702 20 0 BFADLO Fc1cccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842492 969654383 /nfs/dbraw/zinc/65/43/83/969654383.db2.gz MAKZEUFEDMDLGX-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO Cc1ncc(Nc2ccc3[nH]c[nH+]c3c2)nc1C ZINC001209845227 969654780 /nfs/dbraw/zinc/65/47/80/969654780.db2.gz UHQFOTHOCUWWMN-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1conc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841413 969657783 /nfs/dbraw/zinc/65/77/83/969657783.db2.gz NMYJKMXTKHCBCT-UHFFFAOYSA-N 1 2 214.228 2.603 20 0 BFADLO Cc1ccc(Nc2ccc3[nH]nc(N)c3c2)[nH+]c1 ZINC001209852911 969661132 /nfs/dbraw/zinc/66/11/32/969661132.db2.gz FZINGNBHVRUAOH-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO C[C@H](CNc1cc[nH+]cc1F)c1ccc(O)cc1 ZINC001169539949 969736189 /nfs/dbraw/zinc/73/61/89/969736189.db2.gz QWFNWYGWDODTNF-SNVBAGLBSA-N 1 2 246.285 2.564 20 0 BFADLO Cc1cc(Nc2cc3cn[nH]c3cc2C)cc[nH+]1 ZINC001210100231 969797694 /nfs/dbraw/zinc/79/76/94/969797694.db2.gz JZJSHVJFCZIXTG-UHFFFAOYSA-N 1 2 238.294 2.740 20 0 BFADLO Cc1cc[nH+]c(Nc2cc(F)ccc2CO)c1 ZINC001210178670 969821613 /nfs/dbraw/zinc/82/16/13/969821613.db2.gz UBPGIUXMVBYKHX-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO CCCCC[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210208920 969833242 /nfs/dbraw/zinc/83/32/42/969833242.db2.gz WKMGATLIJLHGSP-AWEZNQCLSA-N 1 2 243.391 2.694 20 0 BFADLO COc1cc(Nc2cccc3cc[nH+]cc32)no1 ZINC001210224220 969839237 /nfs/dbraw/zinc/83/92/37/969839237.db2.gz UFHVKWHYFPXYDY-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO CO[C@@H](C)CNc1cccc(-c2c[nH+]cn2C)c1 ZINC001169776789 969840438 /nfs/dbraw/zinc/84/04/38/969840438.db2.gz LWXGUDAWIMIREO-NSHDSACASA-N 1 2 245.326 2.534 20 0 BFADLO COc1ccc2cc(NC[C@H](C)OC)[nH+]cc2c1 ZINC001169773205 969848091 /nfs/dbraw/zinc/84/80/91/969848091.db2.gz SHIOQBMLCXDOQL-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO Cc1ccc(Nc2cnc(C)c(N)c2)c(C)[nH+]1 ZINC001210284496 969852271 /nfs/dbraw/zinc/85/22/71/969852271.db2.gz HJLUVOOKAJRNCP-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1cnc(C)c(N)c1 ZINC001210286934 969854009 /nfs/dbraw/zinc/85/40/09/969854009.db2.gz HIKPYTTYSJPWBT-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3ocnc3c2)cc1N ZINC001210288886 969855834 /nfs/dbraw/zinc/85/58/34/969855834.db2.gz VZAMWZFOEBXUHL-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Cc1[nH+]cc(Nc2ccnn2C2CCC2)cc1N ZINC001210288166 969856288 /nfs/dbraw/zinc/85/62/88/969856288.db2.gz CHGYJOCBTLBCEF-UHFFFAOYSA-N 1 2 243.314 2.637 20 0 BFADLO Cc1ccc(N)c(N(C)c2c[nH+]c(C)c(N)c2)c1 ZINC001210289433 969857350 /nfs/dbraw/zinc/85/73/50/969857350.db2.gz LLKGTBSITWBGDZ-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(N(C)C)cc2)cc1N ZINC001210288026 969857377 /nfs/dbraw/zinc/85/73/77/969857377.db2.gz HQTZWJIOWUPTHW-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO Cc1[nH+]cc(Nc2cncc(C3CC3)c2)cc1N ZINC001210289142 969857937 /nfs/dbraw/zinc/85/79/37/969857937.db2.gz WJTAFBFNQDCLIV-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1O ZINC001210290888 969859850 /nfs/dbraw/zinc/85/98/50/969859850.db2.gz SYBINXPTLDFFRJ-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO COc1c(F)cccc1Nc1[nH+]cc(C)cc1N ZINC001210405111 969883716 /nfs/dbraw/zinc/88/37/16/969883716.db2.gz XHMOTDVLWYNPAS-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COc1cc[nH+]c(Nc2cccc3c2OCO3)c1 ZINC001210556342 969935733 /nfs/dbraw/zinc/93/57/33/969935733.db2.gz GJANHLWMLBMALD-UHFFFAOYSA-N 1 2 244.250 2.563 20 0 BFADLO Cc1cnc(NCc2cc[nH+]c(N)c2)c(Cl)c1 ZINC001156755732 969994636 /nfs/dbraw/zinc/99/46/36/969994636.db2.gz KFOZKXTWXDVRDG-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CCOc1cncc(Nc2cc(OC)cc[nH+]2)c1 ZINC001210659685 969995205 /nfs/dbraw/zinc/99/52/05/969995205.db2.gz PRIMZFPCAKWPIA-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc(Nc2cc(C)c[nH]c2=O)cc(C)[nH+]1 ZINC001210773803 970023671 /nfs/dbraw/zinc/02/36/71/970023671.db2.gz GCKULAPOEIEONO-UHFFFAOYSA-N 1 2 245.282 2.551 20 0 BFADLO COc1cc(Nc2ccc[nH]c2=S)cc(C)[nH+]1 ZINC001210774186 970025109 /nfs/dbraw/zinc/02/51/09/970025109.db2.gz KJONKEZCVSQMCS-UHFFFAOYSA-N 1 2 247.323 2.826 20 0 BFADLO F[C@@H]1CCC[N@@H+]([C@@H]2CCSC2)CC1(F)F ZINC001255281805 970036391 /nfs/dbraw/zinc/03/63/91/970036391.db2.gz DZHNBPKLBYWAKQ-RKDXNWHRSA-N 1 2 239.306 2.561 20 0 BFADLO F[C@@H]1CCC[N@H+]([C@@H]2CCSC2)CC1(F)F ZINC001255281805 970036397 /nfs/dbraw/zinc/03/63/97/970036397.db2.gz DZHNBPKLBYWAKQ-RKDXNWHRSA-N 1 2 239.306 2.561 20 0 BFADLO F[C@@H]1CCC[N@@H+]([C@H]2CCSC2)CC1(F)F ZINC001255281803 970038388 /nfs/dbraw/zinc/03/83/88/970038388.db2.gz DZHNBPKLBYWAKQ-DTWKUNHWSA-N 1 2 239.306 2.561 20 0 BFADLO F[C@@H]1CCC[N@H+]([C@H]2CCSC2)CC1(F)F ZINC001255281803 970038392 /nfs/dbraw/zinc/03/83/92/970038392.db2.gz DZHNBPKLBYWAKQ-DTWKUNHWSA-N 1 2 239.306 2.561 20 0 BFADLO OCC1(Nc2cc3ccccc3c[nH+]2)CCCC1 ZINC001157002668 970047935 /nfs/dbraw/zinc/04/79/35/970047935.db2.gz CMHBMNPBSILBHO-UHFFFAOYSA-N 1 2 242.322 2.952 20 0 BFADLO CCCCCOC(=O)C[NH2+][C@H](C)CCCC ZINC001255319983 970094831 /nfs/dbraw/zinc/09/48/31/970094831.db2.gz NGKZBWMJVIAHQF-GFCCVEGCSA-N 1 2 229.364 2.888 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CCC[C@@H]2C[C@@H]21 ZINC001157134736 970105016 /nfs/dbraw/zinc/10/50/16/970105016.db2.gz QDJDXNZPKLMELA-KOLCDFICSA-N 1 2 206.264 2.518 20 0 BFADLO Cc1ccc(Nc2cccc3[nH+]ccn32)nc1 ZINC001211007456 970109999 /nfs/dbraw/zinc/10/99/99/970109999.db2.gz UIFKDHQPAKFMFL-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Cc1cccc(Nc2ccc(F)c(O)c2)[nH+]1 ZINC001211213860 970173101 /nfs/dbraw/zinc/17/31/01/970173101.db2.gz HBMDPDZKLMJXOH-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Cc1occc1Nc1ccc(N(C)C)[nH+]c1 ZINC001211237071 970179924 /nfs/dbraw/zinc/17/99/24/970179924.db2.gz GVENZWDRSZYNMC-UHFFFAOYSA-N 1 2 217.272 2.793 20 0 BFADLO Cc1occc1Nc1cccc2[nH+]ccn21 ZINC001211237670 970181932 /nfs/dbraw/zinc/18/19/32/970181932.db2.gz OXNOTVVEEZXYGE-UHFFFAOYSA-N 1 2 213.240 2.979 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(F)c2ncccc12 ZINC001243067775 970255415 /nfs/dbraw/zinc/25/54/15/970255415.db2.gz PTGXGONORKYROP-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1ccc2cc(-c3c[nH+]cn3C)ccc2n1 ZINC001243067201 970258075 /nfs/dbraw/zinc/25/80/75/970258075.db2.gz QXYUUQOWPJHDBR-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CC(C)(C)C1CCC([N@@H+]2CCC(=O)C2)CC1 ZINC001255502402 970264168 /nfs/dbraw/zinc/26/41/68/970264168.db2.gz ZTFKGHHKZODCEP-UHFFFAOYSA-N 1 2 223.360 2.866 20 0 BFADLO CC(C)(C)C1CCC([N@H+]2CCC(=O)C2)CC1 ZINC001255502402 970264176 /nfs/dbraw/zinc/26/41/76/970264176.db2.gz ZTFKGHHKZODCEP-UHFFFAOYSA-N 1 2 223.360 2.866 20 0 BFADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001170097692 970271986 /nfs/dbraw/zinc/27/19/86/970271986.db2.gz ADRBSANGHHRAEI-RNFRBKRXSA-N 1 2 231.208 2.962 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc(-c2ccccn2)c1 ZINC001243070342 970275512 /nfs/dbraw/zinc/27/55/12/970275512.db2.gz STNMKADDCSMPRA-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO CCc1cnc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001213506005 970333670 /nfs/dbraw/zinc/33/36/70/970333670.db2.gz YBYYXVSTFXJKFX-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1cc(C)c(Nc2cc([C@@H](C)O)ccn2)c[nH+]1 ZINC001213513452 970337031 /nfs/dbraw/zinc/33/70/31/970337031.db2.gz LCXQALKOBNPDAJ-LLVKDONJSA-N 1 2 243.310 2.890 20 0 BFADLO Cc1cc(C)c(Nc2nnccc2C)c[nH+]1 ZINC001213510953 970337359 /nfs/dbraw/zinc/33/73/59/970337359.db2.gz OAQAUJPARANZIH-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cc(C)c(Nc2cc(N)ccc2O)c[nH+]1 ZINC001213515868 970337951 /nfs/dbraw/zinc/33/79/51/970337951.db2.gz PYDDMWDUVXQONZ-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1cc(C)c(Nc2ccnn2CCF)c[nH+]1 ZINC001213511002 970338248 /nfs/dbraw/zinc/33/82/48/970338248.db2.gz QQKPWGYJIHUVAV-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO Cc1cc(C)c(Nc2ncccc2N(C)C)c[nH+]1 ZINC001213510527 970343028 /nfs/dbraw/zinc/34/30/28/970343028.db2.gz DSEUDRDBFMTQFY-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CSc1ncc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213527356 970345684 /nfs/dbraw/zinc/34/56/84/970345684.db2.gz HRQAXCGQDWLEBG-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(C)c1C ZINC001213524700 970347287 /nfs/dbraw/zinc/34/72/87/970347287.db2.gz DZILYNLYKDELCI-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCc1nnc(Nc2c[nH+]cc(C)c2C)s1 ZINC001213523116 970347602 /nfs/dbraw/zinc/34/76/02/970347602.db2.gz LODMYRAFYHIFHW-UHFFFAOYSA-N 1 2 234.328 2.856 20 0 BFADLO Cc1c[nH+]cc(Nc2ncccc2F)c1C ZINC001213522837 970349220 /nfs/dbraw/zinc/34/92/20/970349220.db2.gz HJMPALSZQZUIOZ-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]cc(Nc2ccnc(F)c2)c1C ZINC001213525469 970349786 /nfs/dbraw/zinc/34/97/86/970349786.db2.gz YHGVCDRCLKDRDW-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(CO)cc2)c1C ZINC001213530537 970354014 /nfs/dbraw/zinc/35/40/14/970354014.db2.gz FBXMRFAMQRKKJT-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1c[nH+]cc(Nc2cc(N)ccc2O)c1C ZINC001213532794 970356376 /nfs/dbraw/zinc/35/63/76/970356376.db2.gz VPVDCZSHFZSBJN-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1c[nH+]c(Nc2cnccc2C2CC2)c(N)c1 ZINC001213869318 970395651 /nfs/dbraw/zinc/39/56/51/970395651.db2.gz OOSMYAJLMFNJFR-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1cc(-c2cccn3cc[nH+]c23)ccc1CO ZINC001243187558 970406935 /nfs/dbraw/zinc/40/69/35/970406935.db2.gz JUXUYFYWSXHBKG-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO COCOc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001243183719 970409140 /nfs/dbraw/zinc/40/91/40/970409140.db2.gz ABANHRXZTOUBIP-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1cc(F)ccc1N ZINC001214204173 970465902 /nfs/dbraw/zinc/46/59/02/970465902.db2.gz XGRVCLLECHTMIF-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO Nc1ccc[nH+]c1Nc1cccc(Cl)c1CO ZINC001214642862 970523373 /nfs/dbraw/zinc/52/33/73/970523373.db2.gz SMQNLONJQHYZGD-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO CCCNc1cc(N2CC[C@H](C3CC3)C2)nc[nH+]1 ZINC000400447783 970592001 /nfs/dbraw/zinc/59/20/01/970592001.db2.gz LWKFSAUJLIGZQL-LBPRGKRZSA-N 1 2 246.358 2.535 20 0 BFADLO CCCNc1cc(N2CC[C@H](C3CC3)C2)[nH+]cn1 ZINC000400447783 970592003 /nfs/dbraw/zinc/59/20/03/970592003.db2.gz LWKFSAUJLIGZQL-LBPRGKRZSA-N 1 2 246.358 2.535 20 0 BFADLO CCCCCCc1nnc(Cc2c[nH]c[nH+]2)o1 ZINC001256339950 970745284 /nfs/dbraw/zinc/74/52/84/970745284.db2.gz GMZVYFOKQGDTPD-UHFFFAOYSA-N 1 2 234.303 2.506 20 0 BFADLO Cn1c[nH+]cc1CO[C@H]1CCc2ccccc21 ZINC001222587755 972587158 /nfs/dbraw/zinc/58/71/58/972587158.db2.gz UGJKFSGSQOZNDC-AWEZNQCLSA-N 1 2 228.295 2.624 20 0 BFADLO Cc1ccc2c(c1)CC[C@@H]2OCc1c[nH+]cn1C ZINC001222585399 972589230 /nfs/dbraw/zinc/58/92/30/972589230.db2.gz IMQKAWDVFDDKMO-HNNXBMFYSA-N 1 2 242.322 2.933 20 0 BFADLO CC[C@H](OCc1c[nH+]cn1C)C(C)(C)C ZINC001222594637 972592282 /nfs/dbraw/zinc/59/22/82/972592282.db2.gz ICUAVCPNORRADM-NSHDSACASA-N 1 2 210.321 2.761 20 0 BFADLO C[C@@H](OCc1c[nH+]cn1C)c1cccc(F)c1 ZINC001222594391 972593633 /nfs/dbraw/zinc/59/36/33/972593633.db2.gz GCLQEBASLGNNKJ-SNVBAGLBSA-N 1 2 234.274 2.837 20 0 BFADLO C[C@@H](OCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001222595039 972594050 /nfs/dbraw/zinc/59/40/50/972594050.db2.gz MFVNFMLDFODXKV-SNVBAGLBSA-N 1 2 234.274 2.837 20 0 BFADLO COc1ccccc1[C@@H](C)OCc1c[nH+]cn1C ZINC001222595061 972594430 /nfs/dbraw/zinc/59/44/30/972594430.db2.gz NDHCGNMRBHXPSX-LLVKDONJSA-N 1 2 246.310 2.707 20 0 BFADLO CC(C)CC[C@@H](C)OCc1c[nH+]cn1C ZINC001222595124 972594740 /nfs/dbraw/zinc/59/47/40/972594740.db2.gz PUHZIMPFGQTKFN-LLVKDONJSA-N 1 2 210.321 2.761 20 0 BFADLO Fc1ccc2[nH]nc(C[NH+]3C4CCC3CC4)c2c1 ZINC001144200038 972671583 /nfs/dbraw/zinc/67/15/83/972671583.db2.gz WITUFBNRNSPFSI-UHFFFAOYSA-N 1 2 245.301 2.829 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1ccc(O)cn1)C2 ZINC001144253336 972714152 /nfs/dbraw/zinc/71/41/52/972714152.db2.gz SQWLFTIWSQNUCA-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1ccc(O)cn1)C2 ZINC001144253336 972714164 /nfs/dbraw/zinc/71/41/64/972714164.db2.gz SQWLFTIWSQNUCA-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC001144521011 972853969 /nfs/dbraw/zinc/85/39/69/972853969.db2.gz KOINDYBCDNACOV-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cccnc1C(F)(F)F ZINC001144521011 972853972 /nfs/dbraw/zinc/85/39/72/972853972.db2.gz KOINDYBCDNACOV-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO CC(C)C[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144542140 972861783 /nfs/dbraw/zinc/86/17/83/972861783.db2.gz PTKOTVOICFIWGZ-UHFFFAOYSA-N 1 2 229.270 2.758 20 0 BFADLO CC(C)C[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144542140 972861785 /nfs/dbraw/zinc/86/17/85/972861785.db2.gz PTKOTVOICFIWGZ-UHFFFAOYSA-N 1 2 229.270 2.758 20 0 BFADLO Oc1cc(F)c(C[NH+]2CC3CC(C3)C2)c(F)c1 ZINC001144561964 972868745 /nfs/dbraw/zinc/86/87/45/972868745.db2.gz RQPOOODZWITPGW-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO FCC1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144623140 972895800 /nfs/dbraw/zinc/89/58/00/972895800.db2.gz QYJCQSFFZJZEJE-UHFFFAOYSA-N 1 2 247.317 2.516 20 0 BFADLO Oc1cc(F)c(C[NH+]2CCCCC2)cc1F ZINC001144646977 972906774 /nfs/dbraw/zinc/90/67/74/972906774.db2.gz SXBADVPCHCRLLJ-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO Oc1cc(F)c(C[NH+]2CC3CC(C3)C2)cc1F ZINC001144659491 972927641 /nfs/dbraw/zinc/92/76/41/972927641.db2.gz KNCONNCYLMYKRR-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nnc[nH]2)CC12CCCCC2 ZINC001328409864 973037397 /nfs/dbraw/zinc/03/73/97/973037397.db2.gz IUCMOAHXIQDEJM-GFCCVEGCSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nnc[nH]2)CC12CCCCC2 ZINC001328409864 973037408 /nfs/dbraw/zinc/03/74/08/973037408.db2.gz IUCMOAHXIQDEJM-GFCCVEGCSA-N 1 2 248.374 2.597 20 0 BFADLO CC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001328431874 973049366 /nfs/dbraw/zinc/04/93/66/973049366.db2.gz LEYQCZDHTBUOHI-YNEHKIRRSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(COC[C@@H]2CCO[C@@H]2C)cc(C)[nH+]1 ZINC001223420735 973054072 /nfs/dbraw/zinc/05/40/72/973054072.db2.gz NFHNQWPYXXTTPK-OCCSQVGLSA-N 1 2 235.327 2.640 20 0 BFADLO Cc1cc(CO[C@H]2CCn3ccnc32)cc(C)[nH+]1 ZINC001223421226 973057856 /nfs/dbraw/zinc/05/78/56/973057856.db2.gz PEVGCHSWJHQVJZ-ZDUSSCGKSA-N 1 2 243.310 2.557 20 0 BFADLO CC[C@H](COC)OCc1cc(C)[nH+]c(C)c1 ZINC001223422815 973060376 /nfs/dbraw/zinc/06/03/76/973060376.db2.gz ZWLWLSJSSRUEAM-CYBMUJFWSA-N 1 2 223.316 2.640 20 0 BFADLO CO[C@H](C)CCOCc1cc(C)[nH+]c(C)c1 ZINC001223422532 973060883 /nfs/dbraw/zinc/06/08/83/973060883.db2.gz XBSBXJJVPPULBR-GFCCVEGCSA-N 1 2 223.316 2.640 20 0 BFADLO Cc1cc(CO[C@@H]2CCCCC2=O)cc(C)[nH+]1 ZINC001223424810 973064981 /nfs/dbraw/zinc/06/49/81/973064981.db2.gz NTHUZDCLHAJSBX-CQSZACIVSA-N 1 2 233.311 2.727 20 0 BFADLO CC[N@H+](Cc1cc(C)n[nH]1)Cc1occc1C ZINC001328660047 973240359 /nfs/dbraw/zinc/24/03/59/973240359.db2.gz UFUNIBYWSDKGKT-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[N@@H+](Cc1cc(C)n[nH]1)Cc1occc1C ZINC001328660047 973240377 /nfs/dbraw/zinc/24/03/77/973240377.db2.gz UFUNIBYWSDKGKT-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO c1cc(COC2C[NH+](Cc3ccccc3)C2)co1 ZINC001223783063 973269235 /nfs/dbraw/zinc/26/92/35/973269235.db2.gz RRDVCEJCPCJAIQ-UHFFFAOYSA-N 1 2 243.306 2.681 20 0 BFADLO CC(=O)CC(C)(C)Nc1ccc[nH+]c1C ZINC001171498561 974082100 /nfs/dbraw/zinc/08/21/00/974082100.db2.gz BQCRTENHBREXTQ-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@@H]1CCO[C@@H](C)C1 ZINC001224964642 974105830 /nfs/dbraw/zinc/10/58/30/974105830.db2.gz BCVNKAOADZYUEW-NWDGAFQWSA-N 1 2 243.347 2.755 20 0 BFADLO Cc1ccc(CC[C@@H](C)[NH+]2CC(F)C2)cc1 ZINC001171672522 974129687 /nfs/dbraw/zinc/12/96/87/974129687.db2.gz YAMZZESKNBMYAN-GFCCVEGCSA-N 1 2 221.319 2.970 20 0 BFADLO C[C@H](COC(C)(C)C)Oc1cc[nH+]cc1 ZINC001225289434 974362614 /nfs/dbraw/zinc/36/26/14/974362614.db2.gz JLMIJFHUFFDMNZ-SNVBAGLBSA-N 1 2 209.289 2.664 20 0 BFADLO CC1(C)CC(=O)CC[C@@H]1Oc1cc[nH+]cc1 ZINC001225291834 974364654 /nfs/dbraw/zinc/36/46/54/974364654.db2.gz ZILMBSZPBLBCFB-LBPRGKRZSA-N 1 2 219.284 2.608 20 0 BFADLO C[C@@H](COc1cc[nH+]cc1)Oc1ccccc1 ZINC001225294178 974364930 /nfs/dbraw/zinc/36/49/30/974364930.db2.gz GRJIAABRCDNTQX-LBPRGKRZSA-N 1 2 229.279 2.928 20 0 BFADLO Cc1c[nH+]c(Nc2ccsc2)c(N)c1 ZINC000085528522 974367192 /nfs/dbraw/zinc/36/71/92/974367192.db2.gz BUKJSTFCLRZXNK-UHFFFAOYSA-N 1 2 205.286 2.777 20 0 BFADLO c1ccc2c(c1)OCC[C@@H]2Oc1cc[nH+]cc1 ZINC001225291180 974367474 /nfs/dbraw/zinc/36/74/74/974367474.db2.gz OSOYQOUWQZZFKL-AWEZNQCLSA-N 1 2 227.263 2.984 20 0 BFADLO Cc1cn2c(n1)[C@H](Oc1cc[nH+]cc1)CCC2 ZINC001225296186 974369104 /nfs/dbraw/zinc/36/91/04/974369104.db2.gz QEBXZBFKUJMJBY-GFCCVEGCSA-N 1 2 229.283 2.500 20 0 BFADLO C[C@@H](Cc1ccco1)Oc1cc[nH+]cc1 ZINC001225296255 974372708 /nfs/dbraw/zinc/37/27/08/974372708.db2.gz SRLVEKCEFJWLEC-JTQLQIEISA-N 1 2 203.241 2.685 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172193157 974479029 /nfs/dbraw/zinc/47/90/29/974479029.db2.gz KYTHPVCBFFCXMI-JTQLQIEISA-N 1 2 243.322 2.948 20 0 BFADLO CC1(C)C[C@H]([N@@H+]2CCCCC(F)(F)C2)CO1 ZINC001172284044 974546594 /nfs/dbraw/zinc/54/65/94/974546594.db2.gz OHUSUOVCDBWPON-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)C[C@H]([N@H+]2CCCCC(F)(F)C2)CO1 ZINC001172284044 974546597 /nfs/dbraw/zinc/54/65/97/974546597.db2.gz OHUSUOVCDBWPON-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO CC(=O)c1ccccc1OC1C[NH+](C(C)(C)C)C1 ZINC001225572779 974561039 /nfs/dbraw/zinc/56/10/39/974561039.db2.gz PRGMSUZTIAVWPR-UHFFFAOYSA-N 1 2 247.338 2.751 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC001172365177 974642822 /nfs/dbraw/zinc/64/28/22/974642822.db2.gz JELMONNQCMZAHK-HOSYDEDBSA-N 1 2 237.347 2.635 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@H](C)[C@H](C)C2)no1 ZINC001172365177 974642826 /nfs/dbraw/zinc/64/28/26/974642826.db2.gz JELMONNQCMZAHK-HOSYDEDBSA-N 1 2 237.347 2.635 20 0 BFADLO CC[NH+]1CC(Oc2c(C)ccc(C)c2C)C1 ZINC001225798681 974687654 /nfs/dbraw/zinc/68/76/54/974687654.db2.gz OQIDFFJUVTWIDX-UHFFFAOYSA-N 1 2 219.328 2.695 20 0 BFADLO CC(C)OCC[C@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001172441536 974797777 /nfs/dbraw/zinc/79/77/77/974797777.db2.gz WXRQTPXCLSUQHV-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCC[C@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001172441536 974797783 /nfs/dbraw/zinc/79/77/83/974797783.db2.gz WXRQTPXCLSUQHV-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO O=C1CC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172564985 974874147 /nfs/dbraw/zinc/87/41/47/974874147.db2.gz OTENWDGPLFNUBI-ZIAGYGMSSA-N 1 2 229.323 2.598 20 0 BFADLO O=C1CC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172564985 974874152 /nfs/dbraw/zinc/87/41/52/974874152.db2.gz OTENWDGPLFNUBI-ZIAGYGMSSA-N 1 2 229.323 2.598 20 0 BFADLO Cc1coc(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC001331991075 974911731 /nfs/dbraw/zinc/91/17/31/974911731.db2.gz SPLMPOJHKSUOIH-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1coc(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC001331991075 974911735 /nfs/dbraw/zinc/91/17/35/974911735.db2.gz SPLMPOJHKSUOIH-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO CCOc1cc[nH+]cc1Nc1conc1C ZINC001212718614 975232439 /nfs/dbraw/zinc/23/24/39/975232439.db2.gz QSKWLSXHMUAISN-UHFFFAOYSA-N 1 2 219.244 2.520 20 0 BFADLO C[NH+]1CC(Oc2cnc(Cl)c3ccccc23)C1 ZINC001227174061 975302827 /nfs/dbraw/zinc/30/28/27/975302827.db2.gz ZQUMOYKIIQWYKI-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CC[C@@H](COC)Oc1c(C)cc[nH+]c1C ZINC001227263309 975335565 /nfs/dbraw/zinc/33/55/65/975335565.db2.gz DCOJFQNOYQPRCM-NSHDSACASA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCOC[C@H]1C ZINC001227261543 975338124 /nfs/dbraw/zinc/33/81/24/975338124.db2.gz BUYAEYPNFAAFOH-ZYHUDNBSSA-N 1 2 221.300 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001227263128 975338254 /nfs/dbraw/zinc/33/82/54/975338254.db2.gz CGMOJFBGRMFNAW-ZSBIGDGJSA-N 1 2 203.285 2.876 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCO[C@@H](C)C1 ZINC001227263295 975340331 /nfs/dbraw/zinc/34/03/31/975340331.db2.gz CSDJNGGHVPOPEI-CMPLNLGQSA-N 1 2 221.300 2.645 20 0 BFADLO CCOC[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227264120 975341149 /nfs/dbraw/zinc/34/11/49/975341149.db2.gz JDKHBJLNRRWFOR-JTQLQIEISA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(Nc2cc(F)cc(CO)c2)c1 ZINC001212741571 975482479 /nfs/dbraw/zinc/48/24/79/975482479.db2.gz IFQYOMYQLKEYLW-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO COc1ccc(Nc2[nH+]cccc2N(C)C)cc1 ZINC001173803896 975685341 /nfs/dbraw/zinc/68/53/41/975685341.db2.gz BGYOJYWFJXPVDZ-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO Cc1cn2cccc(Nc3cccnc3)c2[nH+]1 ZINC001173854472 975771625 /nfs/dbraw/zinc/77/16/25/975771625.db2.gz DLCKOWDVNRGOJH-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CCc1ccc([N@H+]2C(=N)C=C(Cl)C=C2N)cc1 ZINC001173869566 975817613 /nfs/dbraw/zinc/81/76/13/975817613.db2.gz VZOUEYCWKADHBV-UHFFFAOYSA-N 1 2 247.729 2.755 20 0 BFADLO CCc1ccc([N@@H+]2C(=N)C=C(Cl)C=C2N)cc1 ZINC001173869566 975817617 /nfs/dbraw/zinc/81/76/17/975817617.db2.gz VZOUEYCWKADHBV-UHFFFAOYSA-N 1 2 247.729 2.755 20 0 BFADLO Nc1ccc[nH+]c1NC=Cc1ccccc1 ZINC001173870255 975820218 /nfs/dbraw/zinc/82/02/18/975820218.db2.gz GLIYKXQGODTDOP-CSKARUKUSA-N 1 2 211.268 2.747 20 0 BFADLO COc1cccc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001173824847 975842110 /nfs/dbraw/zinc/84/21/10/975842110.db2.gz ORNCGZKVDSOILO-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO COc1ccc(Nc2cc(C)cc[nH+]2)cn1 ZINC001173958012 975999209 /nfs/dbraw/zinc/99/92/09/975999209.db2.gz RFEHYHLDOYUVTN-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO C[NH+]1CC(Oc2cc(Cl)c3ccccc3n2)C1 ZINC001228237080 976006412 /nfs/dbraw/zinc/00/64/12/976006412.db2.gz RGKAWQVZOMJINE-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO Cc1cn2cccc(Nc3ccoc3)c2[nH+]1 ZINC001173932822 976045212 /nfs/dbraw/zinc/04/52/12/976045212.db2.gz SBXDQOXTOJKFGM-UHFFFAOYSA-N 1 2 213.240 2.979 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccoc1 ZINC001173933517 976050773 /nfs/dbraw/zinc/05/07/73/976050773.db2.gz SKHHMAPJNUOALG-UHFFFAOYSA-N 1 2 204.229 2.817 20 0 BFADLO CC(C)[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001333750408 976058643 /nfs/dbraw/zinc/05/86/43/976058643.db2.gz HAFXOORNUHJAEQ-GFCCVEGCSA-N 1 2 244.342 2.602 20 0 BFADLO CCc1cc(N2CCC[C@H]3C[C@H]32)nc(CC)[nH+]1 ZINC001333762123 976067378 /nfs/dbraw/zinc/06/73/78/976067378.db2.gz LMLUMNOKWARIHR-CMPLNLGQSA-N 1 2 231.343 2.590 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3CCCCC3=O)cc2[nH+]1 ZINC001228329545 976128350 /nfs/dbraw/zinc/12/83/50/976128350.db2.gz NBGNQAUMAJTCJP-CQSZACIVSA-N 1 2 244.294 2.762 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c(c1)CCO2 ZINC001174010058 976174641 /nfs/dbraw/zinc/17/46/41/976174641.db2.gz SNFJVXYNMPCMGO-UHFFFAOYSA-N 1 2 242.278 2.769 20 0 BFADLO Cc1cc(C)c(Nc2cccc(C(N)=O)c2)c[nH+]1 ZINC001174058023 976206051 /nfs/dbraw/zinc/20/60/51/976206051.db2.gz UGPRMEGONBHDBX-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1n[nH]c(C)c1Nc1ccc2c(c1)[nH+]cn2C ZINC001174215558 976399085 /nfs/dbraw/zinc/39/90/85/976399085.db2.gz VKJYQWUPGQSFIG-UHFFFAOYSA-N 1 2 241.298 2.657 20 0 BFADLO CCN(C)c1ccc(Nc2ccc(C)nc2)c[nH+]1 ZINC001174282470 976440508 /nfs/dbraw/zinc/44/05/08/976440508.db2.gz ZYRDUTJCNMXAIB-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO Cc1cc(OC2C[NH+](C(C)C)C2)ncc1Cl ZINC001228746576 976479519 /nfs/dbraw/zinc/47/95/19/976479519.db2.gz VJIWRQHHQUERMI-UHFFFAOYSA-N 1 2 240.734 2.515 20 0 BFADLO c1cn2ccc(Nc3ccc4n[nH]cc4c3)cc2[nH+]1 ZINC001174273513 976501599 /nfs/dbraw/zinc/50/15/99/976501599.db2.gz MKVDUACSIGNPES-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2n[nH]cc21 ZINC001174342714 976565521 /nfs/dbraw/zinc/56/55/21/976565521.db2.gz DYRCVOWDOSJYMW-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2[nH]ncc21 ZINC001174342714 976565535 /nfs/dbraw/zinc/56/55/35/976565535.db2.gz DYRCVOWDOSJYMW-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO c1cc2cc[nH+]cc2c(Nc2cncnc2)c1 ZINC001174386638 976632047 /nfs/dbraw/zinc/63/20/47/976632047.db2.gz ISJDSIQATBEEFS-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO CC(C)(O)c1cccc(Nc2[nH+]cccc2N)c1 ZINC001174404318 976691087 /nfs/dbraw/zinc/69/10/87/976691087.db2.gz MNFBZBCZQRSUQX-UHFFFAOYSA-N 1 2 243.310 2.635 20 0 BFADLO Cc1c[nH]c(=O)cc1Nc1cc[nH+]c2[nH]ccc21 ZINC001174410457 976694960 /nfs/dbraw/zinc/69/49/60/976694960.db2.gz VZLHZCBJZYESQJ-UHFFFAOYSA-N 1 2 240.266 2.667 20 0 BFADLO c1cn2ccc(Nc3ccc4cn[nH]c4c3)cc2[nH+]1 ZINC001174498626 976721729 /nfs/dbraw/zinc/72/17/29/976721729.db2.gz HSFFTWWUFOQBON-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cn2c(cccc2Nc2ccc3cn[nH]c3c2)[nH+]1 ZINC001174499484 976728873 /nfs/dbraw/zinc/72/88/73/976728873.db2.gz RONKIHOBORNSOU-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cn2c(cccc2Nc2ccc3c[nH]nc3c2)[nH+]1 ZINC001174499484 976728883 /nfs/dbraw/zinc/72/88/83/976728883.db2.gz RONKIHOBORNSOU-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CCCSC[C@H](C)[NH2+][C@@H](C)c1noc(C)n1 ZINC001335060509 976829823 /nfs/dbraw/zinc/82/98/23/976829823.db2.gz AOAFZJMRPLSFDS-IUCAKERBSA-N 1 2 243.376 2.560 20 0 BFADLO COc1cc(Nc2[nH+]c(C)ccc2O)ccc1O ZINC001174540041 976831055 /nfs/dbraw/zinc/83/10/55/976831055.db2.gz BNOFARQGGUXGHJ-UHFFFAOYSA-N 1 2 246.266 2.553 20 0 BFADLO CC(C)=CNc1[nH+]c2ccccc2n1C ZINC001174558622 976871012 /nfs/dbraw/zinc/87/10/12/976871012.db2.gz ZZSFOYZZJYKHSG-UHFFFAOYSA-N 1 2 201.273 2.909 20 0 BFADLO COc1cc(Nc2cc(F)ccc2O)cc(C)[nH+]1 ZINC001174626407 976894878 /nfs/dbraw/zinc/89/48/78/976894878.db2.gz UJQOQDIOVSKZOP-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1ccc(OC2C[NH+](C)C2)cc1C(C)(C)C ZINC001229535074 976895084 /nfs/dbraw/zinc/89/50/84/976895084.db2.gz WMDNHYSTDBJWLS-UHFFFAOYSA-N 1 2 249.354 2.686 20 0 BFADLO C[NH+]1CC(Oc2cccc3c(Cl)ccnc23)C1 ZINC001229552309 976898991 /nfs/dbraw/zinc/89/89/91/976898991.db2.gz HBPFSZKLHLXDME-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CO[C@H](C)CCOc1ccc(-n2cc[nH+]c2)cc1 ZINC001229955208 977036715 /nfs/dbraw/zinc/03/67/15/977036715.db2.gz YPDZUFCNKGLEGY-GFCCVEGCSA-N 1 2 246.310 2.676 20 0 BFADLO CO[C@@H](C)CCOc1ccc(-n2cc[nH+]c2)cc1 ZINC001229955209 977039852 /nfs/dbraw/zinc/03/98/52/977039852.db2.gz YPDZUFCNKGLEGY-LBPRGKRZSA-N 1 2 246.310 2.676 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cc(C)nn1C ZINC001174820722 977074065 /nfs/dbraw/zinc/07/40/65/977074065.db2.gz BEKAXGUKLIPEON-UHFFFAOYSA-N 1 2 230.315 2.738 20 0 BFADLO CC(C)(C)c1cn(C[C@@H]2CCCOC2)c[nH+]1 ZINC001335493120 977093947 /nfs/dbraw/zinc/09/39/47/977093947.db2.gz XPRYXUVASFLGHC-NSHDSACASA-N 1 2 222.332 2.607 20 0 BFADLO Oc1cccc(Nc2cccc3[nH+]ccn32)c1 ZINC001174888077 977119763 /nfs/dbraw/zinc/11/97/63/977119763.db2.gz SOWAXGSHLIKIKJ-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccc(O)c1 ZINC001174892370 977149027 /nfs/dbraw/zinc/14/90/27/977149027.db2.gz QLICOGBPUBFLSX-UHFFFAOYSA-N 1 2 239.278 2.622 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)cc1 ZINC001175039224 977230943 /nfs/dbraw/zinc/23/09/43/977230943.db2.gz JIDWBQGBYKLKSY-UHFFFAOYSA-N 1 2 216.240 2.539 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(O)cc1 ZINC001175041471 977234855 /nfs/dbraw/zinc/23/48/55/977234855.db2.gz BDDSIFIVYFZLBP-UHFFFAOYSA-N 1 2 230.267 2.930 20 0 BFADLO Oc1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001175039966 977235126 /nfs/dbraw/zinc/23/51/26/977235126.db2.gz XWNIHCNKKSDORW-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO Oc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001175044198 977239331 /nfs/dbraw/zinc/23/93/31/977239331.db2.gz REEQTRDCXQIUBE-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1ccc(O)cc1 ZINC001175044432 977240184 /nfs/dbraw/zinc/24/01/84/977240184.db2.gz VQYLHPPLHQCEIV-UHFFFAOYSA-N 1 2 229.283 2.597 20 0 BFADLO C[NH+]1CC(Oc2ccc3ncc(Cl)cc3c2)C1 ZINC001230567196 977256727 /nfs/dbraw/zinc/25/67/27/977256727.db2.gz FLHWNYKNDCSAJF-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175345626 977364807 /nfs/dbraw/zinc/36/48/07/977364807.db2.gz ZBJUZCQMKBZPJE-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1cccc(O)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175345159 977365468 /nfs/dbraw/zinc/36/54/68/977365468.db2.gz NJBRZFAMDHPCOA-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CCC[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920931 977384571 /nfs/dbraw/zinc/38/45/71/977384571.db2.gz YEKIUDBIOOHLSX-JTQLQIEISA-N 1 2 233.311 2.935 20 0 BFADLO c1cn2c(cccc2Nc2cncs2)[nH+]1 ZINC001175496093 977451116 /nfs/dbraw/zinc/45/11/16/977451116.db2.gz QWTBRWKHFRCQKV-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO CO[C@H](C)CCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081481 977468534 /nfs/dbraw/zinc/46/85/34/977468534.db2.gz MBQYXIYOKZOTBG-LLVKDONJSA-N 1 2 246.310 2.881 20 0 BFADLO Cc1ccc[nH+]c1Nc1cccc(CO)c1 ZINC001175507250 977477095 /nfs/dbraw/zinc/47/70/95/977477095.db2.gz NUVPTCXGDZJYDL-UHFFFAOYSA-N 1 2 214.268 2.626 20 0 BFADLO COc1cc(Nc2cccc(CO)c2)cc(C)[nH+]1 ZINC001175509786 977485374 /nfs/dbraw/zinc/48/53/74/977485374.db2.gz QGDTVUNYKZOZQO-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C[NH+]1CC(Oc2cnc3c(Cl)cccc3c2)C1 ZINC001231156237 977516119 /nfs/dbraw/zinc/51/61/19/977516119.db2.gz JIJDSOCLFZOIMS-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CSc1ncc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001175645644 977615912 /nfs/dbraw/zinc/61/59/12/977615912.db2.gz UDDHLQQERKYSRU-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc2ccncc2c1 ZINC001175701567 977628853 /nfs/dbraw/zinc/62/88/53/977628853.db2.gz NEERHTBZQKAKNF-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO COC1(C)C[NH+](Cc2ccccc2SC)C1 ZINC001231784245 977750619 /nfs/dbraw/zinc/75/06/19/977750619.db2.gz TXXAHWKJRWIHFU-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@H]2C)[nH+]1 ZINC001336543528 977765592 /nfs/dbraw/zinc/76/55/92/977765592.db2.gz LZMVDQJJWNPDJU-PSASIEDQSA-N 1 2 208.280 2.764 20 0 BFADLO CC(=O)OC1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001231876045 977774164 /nfs/dbraw/zinc/77/41/64/977774164.db2.gz DPSXLPJVOVQILN-UHFFFAOYSA-N 1 2 247.338 2.557 20 0 BFADLO CCC[C@H]1CN(c2ccc(CC)c[nH+]2)CCO1 ZINC001336562695 977778120 /nfs/dbraw/zinc/77/81/20/977778120.db2.gz SGXRVDBTLDRLKP-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C3CC3)C2)[nH+]1 ZINC001336563026 977779429 /nfs/dbraw/zinc/77/94/29/977779429.db2.gz YCDZPRZTSRTVTA-LLVKDONJSA-N 1 2 220.291 2.765 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC[C@@H](F)C2)cnc1F ZINC001231925719 977796172 /nfs/dbraw/zinc/79/61/72/977796172.db2.gz WNXNXYWWVBHTHX-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCCC[C@@H](F)C2)cnc1F ZINC001231925719 977796179 /nfs/dbraw/zinc/79/61/79/977796179.db2.gz WNXNXYWWVBHTHX-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO Cn1c[nH+]c2cc(Nc3cscn3)ccc21 ZINC001175944308 977809084 /nfs/dbraw/zinc/80/90/84/977809084.db2.gz NKYYHRQXAKBZQT-UHFFFAOYSA-N 1 2 230.296 2.773 20 0 BFADLO COc1cc(Nc2cnn(C3CC3)c2)cc(C)[nH+]1 ZINC001175958681 977827262 /nfs/dbraw/zinc/82/72/62/977827262.db2.gz YKNWHEIHYMRDFE-UHFFFAOYSA-N 1 2 244.298 2.674 20 0 BFADLO Cc1ccc(Nc2cnn(C3CC3)c2)c(C)[nH+]1 ZINC001175958692 977827461 /nfs/dbraw/zinc/82/74/61/977827461.db2.gz OFODBQLCBBSWPA-UHFFFAOYSA-N 1 2 228.299 2.973 20 0 BFADLO CCc1ccc(N2CC[C@H](OC)[C@H](C)C2)[nH+]c1 ZINC001336665438 977838679 /nfs/dbraw/zinc/83/86/79/977838679.db2.gz JTMITANYVKSVRX-YPMHNXCESA-N 1 2 234.343 2.505 20 0 BFADLO Cn1nc(C(F)F)c(C[N@H+](C)C2CC2)c1Cl ZINC001232051054 977875067 /nfs/dbraw/zinc/87/50/67/977875067.db2.gz RCYKQEXMXOHLJZ-UHFFFAOYSA-N 1 2 249.692 2.605 20 0 BFADLO Cn1nc(C(F)F)c(C[N@@H+](C)C2CC2)c1Cl ZINC001232051054 977875073 /nfs/dbraw/zinc/87/50/73/977875073.db2.gz RCYKQEXMXOHLJZ-UHFFFAOYSA-N 1 2 249.692 2.605 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)n1 ZINC001232069989 977882436 /nfs/dbraw/zinc/88/24/36/977882436.db2.gz VKKAKJXPCDHKDE-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cccc(C(F)(F)F)n1 ZINC001232069989 977882438 /nfs/dbraw/zinc/88/24/38/977882438.db2.gz VKKAKJXPCDHKDE-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO Fc1ccc(Cl)nc1C[N@@H+]1CCC2(CC2)C1 ZINC001232158370 977898230 /nfs/dbraw/zinc/89/82/30/977898230.db2.gz SHEXMNOVRHEHFZ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1ccc(Cl)nc1C[N@H+]1CCC2(CC2)C1 ZINC001232158370 977898232 /nfs/dbraw/zinc/89/82/32/977898232.db2.gz SHEXMNOVRHEHFZ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Clc1cc(NC2=CCOCC2)cn2cc[nH+]c12 ZINC001176141687 977924474 /nfs/dbraw/zinc/92/44/74/977924474.db2.gz FJKONAWTEIYSGQ-UHFFFAOYSA-N 1 2 249.701 2.704 20 0 BFADLO C[N@H+](Cc1ccnc(C(C)(C)C)c1)C1(C)COC1 ZINC001232217610 977941998 /nfs/dbraw/zinc/94/19/98/977941998.db2.gz NDQZLZXVBYTIGM-UHFFFAOYSA-N 1 2 248.370 2.600 20 0 BFADLO C[N@@H+](Cc1ccnc(C(C)(C)C)c1)C1(C)COC1 ZINC001232217610 977942005 /nfs/dbraw/zinc/94/20/05/977942005.db2.gz NDQZLZXVBYTIGM-UHFFFAOYSA-N 1 2 248.370 2.600 20 0 BFADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](F)C2)ccn1 ZINC001232213666 977945889 /nfs/dbraw/zinc/94/58/89/977945889.db2.gz CMMPFLOXWNIYCA-LBPRGKRZSA-N 1 2 236.334 2.923 20 0 BFADLO CC(C)(C)c1cc(C[N@H+]2CC[C@H](F)C2)ccn1 ZINC001232213666 977945901 /nfs/dbraw/zinc/94/59/01/977945901.db2.gz CMMPFLOXWNIYCA-LBPRGKRZSA-N 1 2 236.334 2.923 20 0 BFADLO CCc1ccc(Nc2c[nH+]ccc2OC)cn1 ZINC001176118699 977948547 /nfs/dbraw/zinc/94/85/47/977948547.db2.gz PFTHHBBVXDQFFU-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO CCc1cccc(Nc2c[nH+]ccc2OC)n1 ZINC001176119094 977952167 /nfs/dbraw/zinc/95/21/67/977952167.db2.gz OFBXWFQDEKSBFN-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO CCOc1cc(Nc2c[nH+]ccc2OC)ccn1 ZINC001176119058 977954570 /nfs/dbraw/zinc/95/45/70/977954570.db2.gz ULCLOZXJINHMEM-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(F)c(F)c1 ZINC001176121988 977955626 /nfs/dbraw/zinc/95/56/26/977955626.db2.gz XOJWFMMEWCBOMO-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c(c1)OCC2 ZINC001176123509 977955895 /nfs/dbraw/zinc/95/58/95/977955895.db2.gz AHMSWIZABUCNFN-UHFFFAOYSA-N 1 2 242.278 2.769 20 0 BFADLO Nc1ccc[nH+]c1NC=CCc1ccccc1 ZINC001176216097 977993650 /nfs/dbraw/zinc/99/36/50/977993650.db2.gz TZGOXYZKTVGRQK-ONNFQVAWSA-N 1 2 225.295 2.832 20 0 BFADLO CCOc1cc(Nc2cnc(C)nc2)cc(C)[nH+]1 ZINC001176394075 978049260 /nfs/dbraw/zinc/04/92/60/978049260.db2.gz PFTMGUFVTIRMJZ-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1ccc(Nc2csc(CO)c2)c(C)[nH+]1 ZINC001176365639 978051107 /nfs/dbraw/zinc/05/11/07/978051107.db2.gz FKEGDLVHFMHQSR-UHFFFAOYSA-N 1 2 234.324 2.996 20 0 BFADLO Cc1ccc(OC(C)C)c(C[N@H+](C)C2COC2)c1 ZINC001232396607 978051736 /nfs/dbraw/zinc/05/17/36/978051736.db2.gz CAMSCDIDQHASED-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1ccc(OC(C)C)c(C[N@@H+](C)C2COC2)c1 ZINC001232396607 978051746 /nfs/dbraw/zinc/05/17/46/978051746.db2.gz CAMSCDIDQHASED-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnc(C)nc1 ZINC001176395332 978070290 /nfs/dbraw/zinc/07/02/90/978070290.db2.gz ORIGDQCBVQZECU-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO FC(F)(F)c1ccc(C[N@@H+]2CCCOCC2)o1 ZINC001232443315 978080176 /nfs/dbraw/zinc/08/01/76/978080176.db2.gz VGVDUDZMFGSEMQ-UHFFFAOYSA-N 1 2 249.232 2.521 20 0 BFADLO FC(F)(F)c1ccc(C[N@H+]2CCCOCC2)o1 ZINC001232443315 978080184 /nfs/dbraw/zinc/08/01/84/978080184.db2.gz VGVDUDZMFGSEMQ-UHFFFAOYSA-N 1 2 249.232 2.521 20 0 BFADLO Cc1[nH]c(CN2Cc3cccc(C)c3C2)c[nH+]1 ZINC001232459411 978088636 /nfs/dbraw/zinc/08/86/36/978088636.db2.gz DNDVEKKCFMHXNY-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1[nH]c(CN2CCC[C@H]2c2nccs2)c[nH+]1 ZINC001232463910 978113446 /nfs/dbraw/zinc/11/34/46/978113446.db2.gz OPZLUCBPGUOXMJ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1[nH]cc(CN2CCC[C@H]2c2nccs2)[nH+]1 ZINC001232463910 978113450 /nfs/dbraw/zinc/11/34/50/978113450.db2.gz OPZLUCBPGUOXMJ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CCc1csc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001232472165 978119294 /nfs/dbraw/zinc/11/92/94/978119294.db2.gz JCOWEVUCXWECRS-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1csc(C[N@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001232472165 978119298 /nfs/dbraw/zinc/11/92/98/978119298.db2.gz JCOWEVUCXWECRS-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)n[nH]1 ZINC001337042684 978140510 /nfs/dbraw/zinc/14/05/10/978140510.db2.gz RFRDCZQQNKUYRB-HNNXBMFYSA-N 1 2 241.338 2.535 20 0 BFADLO CC(C)c1ocnc1C[N@@H+]1CCSC[C@H]1C ZINC001337118405 978171907 /nfs/dbraw/zinc/17/19/07/978171907.db2.gz PSBIINXGLIOIKY-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1ocnc1C[N@H+]1CCSC[C@H]1C ZINC001337118405 978171919 /nfs/dbraw/zinc/17/19/19/978171919.db2.gz PSBIINXGLIOIKY-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cc3ccoc3cn2)C1 ZINC001232551852 978175516 /nfs/dbraw/zinc/17/55/16/978175516.db2.gz SRSIQUGJEQEDPB-LLVKDONJSA-N 1 2 234.274 2.762 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232551852 978175520 /nfs/dbraw/zinc/17/55/20/978175520.db2.gz SRSIQUGJEQEDPB-LLVKDONJSA-N 1 2 234.274 2.762 20 0 BFADLO CCCOC1C[NH+](Cc2c(C)cccc2OC)C1 ZINC001232628486 978203647 /nfs/dbraw/zinc/20/36/47/978203647.db2.gz WMPYBPMONSJYSJ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CC(C)[C@H](O)CC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001176896731 978253118 /nfs/dbraw/zinc/25/31/18/978253118.db2.gz HYQMAQVMBLMIIY-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@H](O)CC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001176896731 978253129 /nfs/dbraw/zinc/25/31/29/978253129.db2.gz HYQMAQVMBLMIIY-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc3ncsc3c2)CCO1 ZINC001232738448 978255677 /nfs/dbraw/zinc/25/56/77/978255677.db2.gz AXZMRFYKEZTLML-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCO1 ZINC001232738448 978255687 /nfs/dbraw/zinc/25/56/87/978255687.db2.gz AXZMRFYKEZTLML-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968010 978366108 /nfs/dbraw/zinc/36/61/08/978366108.db2.gz DWRTYNGUZCEGKQ-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968010 978366118 /nfs/dbraw/zinc/36/61/18/978366118.db2.gz DWRTYNGUZCEGKQ-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO CCC(C)=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597812528 978375574 /nfs/dbraw/zinc/37/55/74/978375574.db2.gz YSTYXVFILGHUOK-UXBLZVDNSA-N 1 2 235.331 2.506 20 0 BFADLO CC/C(C)=C/C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597812528 978375583 /nfs/dbraw/zinc/37/55/83/978375583.db2.gz YSTYXVFILGHUOK-UXBLZVDNSA-N 1 2 235.331 2.506 20 0 BFADLO c1cc(C2CC2)ccc1C[N@@H+]1CCC12COC2 ZINC001232983931 978381891 /nfs/dbraw/zinc/38/18/91/978381891.db2.gz UWDMKLFHKKHMOF-UHFFFAOYSA-N 1 2 229.323 2.539 20 0 BFADLO c1cc(C2CC2)ccc1C[N@H+]1CCC12COC2 ZINC001232983931 978381899 /nfs/dbraw/zinc/38/18/99/978381899.db2.gz UWDMKLFHKKHMOF-UHFFFAOYSA-N 1 2 229.323 2.539 20 0 BFADLO Cc1ncc(F)cc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001232985318 978384145 /nfs/dbraw/zinc/38/41/45/978384145.db2.gz CZTJPNMIJRPOIJ-NOZJJQNGSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001232985318 978384156 /nfs/dbraw/zinc/38/41/56/978384156.db2.gz CZTJPNMIJRPOIJ-NOZJJQNGSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1ncc(F)cc1C[N@H+](C)Cc1cccnc1 ZINC001232985906 978385210 /nfs/dbraw/zinc/38/52/10/978385210.db2.gz BTQDSARRTOENEJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+](C)Cc1cccnc1 ZINC001232985906 978385225 /nfs/dbraw/zinc/38/52/25/978385225.db2.gz BTQDSARRTOENEJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001232985315 978385316 /nfs/dbraw/zinc/38/53/16/978385316.db2.gz CXBXOAYGAVKROW-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ncc(F)cc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001232985315 978385322 /nfs/dbraw/zinc/38/53/22/978385322.db2.gz CXBXOAYGAVKROW-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO CCCC(C)=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001337640577 978439196 /nfs/dbraw/zinc/43/91/96/978439196.db2.gz RWBSJPBVNSZPHB-JXMROGBWSA-N 1 2 232.327 2.805 20 0 BFADLO Oc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)c1F ZINC001233050563 978442275 /nfs/dbraw/zinc/44/22/75/978442275.db2.gz PWKXXARUAUJYSQ-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1F ZINC001233050563 978442279 /nfs/dbraw/zinc/44/22/79/978442279.db2.gz PWKXXARUAUJYSQ-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Cc1ccc([C@@H](C)N(C)c2cc(N)nc[nH+]2)cc1 ZINC001337789840 978497399 /nfs/dbraw/zinc/49/73/99/978497399.db2.gz MCFZSIVLJHGTBF-LLVKDONJSA-N 1 2 242.326 2.565 20 0 BFADLO CCc1ccc(N(C)C[C@@H]2CCCCO2)[nH+]c1 ZINC001337803254 978502935 /nfs/dbraw/zinc/50/29/35/978502935.db2.gz MOTVFOANDRHRNM-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)cc1O ZINC001233234324 978505956 /nfs/dbraw/zinc/50/59/56/978505956.db2.gz SKHCPKDQPABFOC-UHFFFAOYSA-N 1 2 247.338 2.502 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)cc1O ZINC001233234324 978505965 /nfs/dbraw/zinc/50/59/65/978505965.db2.gz SKHCPKDQPABFOC-UHFFFAOYSA-N 1 2 247.338 2.502 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H]1C1CC1 ZINC001337836878 978521651 /nfs/dbraw/zinc/52/16/51/978521651.db2.gz KRTSAKXBZHNQCK-NSHDSACASA-N 1 2 206.264 2.600 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)nc2)sn1 ZINC001233313302 978542277 /nfs/dbraw/zinc/54/22/77/978542277.db2.gz OYPSNPDYWFMHRZ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)nc2)sn1 ZINC001233313302 978542283 /nfs/dbraw/zinc/54/22/83/978542283.db2.gz OYPSNPDYWFMHRZ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCc1ccc(N2CCC[C@](C)(F)C2)[nH+]c1 ZINC001337895451 978556713 /nfs/dbraw/zinc/55/67/13/978556713.db2.gz PSZRWAIVRWMJFI-ZDUSSCGKSA-N 1 2 222.307 2.972 20 0 BFADLO Cc1cnsc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001233319017 978557995 /nfs/dbraw/zinc/55/79/95/978557995.db2.gz ZCXKRSYWXZEWDA-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cnsc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001233319017 978558010 /nfs/dbraw/zinc/55/80/10/978558010.db2.gz ZCXKRSYWXZEWDA-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO Nc1cc(N2CCCC3(CCCC3)CC2)[nH+]cn1 ZINC001337918714 978565680 /nfs/dbraw/zinc/56/56/80/978565680.db2.gz WAFZVNRZNLBNKJ-UHFFFAOYSA-N 1 2 246.358 2.610 20 0 BFADLO CO[C@@]1(C)CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337962804 978579612 /nfs/dbraw/zinc/57/96/12/978579612.db2.gz TUOAJOLPMAPZNQ-ZDUSSCGKSA-N 1 2 238.306 2.534 20 0 BFADLO CCc1csc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC001338084649 978608681 /nfs/dbraw/zinc/60/86/81/978608681.db2.gz PKKMMJHEYLUJOU-UHFFFAOYSA-N 1 2 236.344 2.658 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccoc2)C[C@H]1F ZINC001204241285 978688212 /nfs/dbraw/zinc/68/82/12/978688212.db2.gz FKDWMNOGRUENKK-GHMZBOCLSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccoc2)C[C@H]1F ZINC001204241285 978688219 /nfs/dbraw/zinc/68/82/19/978688219.db2.gz FKDWMNOGRUENKK-GHMZBOCLSA-N 1 2 215.243 2.552 20 0 BFADLO Cc1nc2c(s1)C[N@H+](Cc1ccoc1)CC2 ZINC001204245593 978710239 /nfs/dbraw/zinc/71/02/39/978710239.db2.gz POMLXDWSHVHTDQ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1nc2c(s1)C[N@@H+](Cc1ccoc1)CC2 ZINC001204245593 978710242 /nfs/dbraw/zinc/71/02/42/978710242.db2.gz POMLXDWSHVHTDQ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CC[NH+]1CC(Oc2ccc(F)c(C)c2C)C1 ZINC001233863542 978716303 /nfs/dbraw/zinc/71/63/03/978716303.db2.gz MKVKJONTTKDQRJ-UHFFFAOYSA-N 1 2 223.291 2.525 20 0 BFADLO C[C@H](C[NH2+]Cc1ncn[nH]1)CC1CCCCC1 ZINC001179842781 978765088 /nfs/dbraw/zinc/76/50/88/978765088.db2.gz WVTNWQIVSVZNDP-NSHDSACASA-N 1 2 236.363 2.501 20 0 BFADLO C[N@H+](C/C=C\c1cccc(F)c1)Cc1ccon1 ZINC001180017531 978806129 /nfs/dbraw/zinc/80/61/29/978806129.db2.gz FCTYKYLQAFRGKH-HYXAFXHYSA-N 1 2 246.285 2.959 20 0 BFADLO C[N@@H+](C/C=C\c1cccc(F)c1)Cc1ccon1 ZINC001180017531 978806131 /nfs/dbraw/zinc/80/61/31/978806131.db2.gz FCTYKYLQAFRGKH-HYXAFXHYSA-N 1 2 246.285 2.959 20 0 BFADLO CCOC(=[NH2+])c1ccc(O[C@@H]2CCCOC2)cc1 ZINC001234587174 978864392 /nfs/dbraw/zinc/86/43/92/978864392.db2.gz YVCAKDRXKWNIFI-CYBMUJFWSA-N 1 2 249.310 2.606 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)S[C@H](C)C2)[nH+]1 ZINC001339595676 978876159 /nfs/dbraw/zinc/87/61/59/978876159.db2.gz IXPJNENPEWFGTA-NXEZZACHSA-N 1 2 240.347 2.859 20 0 BFADLO CCc1cccc(OC2C[NH+](C(C)C)C2)c1OC ZINC001234645156 978884825 /nfs/dbraw/zinc/88/48/25/978884825.db2.gz NREXJOBJDMCELU-UHFFFAOYSA-N 1 2 249.354 2.729 20 0 BFADLO Cc1coc(Nc2ccc(C)[nH+]c2C)n1 ZINC001203363512 978911080 /nfs/dbraw/zinc/91/10/80/978911080.db2.gz ULWMXDGTRAUVBC-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1[nH+]cc(Cc2c(F)cccc2F)cc1N ZINC001249987045 978949041 /nfs/dbraw/zinc/94/90/41/978949041.db2.gz VPJNDYYPUOQJNR-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO CCc1cccc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC001235259310 979010831 /nfs/dbraw/zinc/01/08/31/979010831.db2.gz WXFGGWSHFOOTKZ-NSHDSACASA-N 1 2 222.307 2.578 20 0 BFADLO CCc1cccc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC001235259310 979010838 /nfs/dbraw/zinc/01/08/38/979010838.db2.gz WXFGGWSHFOOTKZ-NSHDSACASA-N 1 2 222.307 2.578 20 0 BFADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2ncc(Cl)cn2)C1 ZINC001235415532 979040301 /nfs/dbraw/zinc/04/03/01/979040301.db2.gz WNRZYACZSYSWPH-NXEZZACHSA-N 1 2 239.750 2.608 20 0 BFADLO C[C@@H]1CCCCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235411301 979040874 /nfs/dbraw/zinc/04/08/74/979040874.db2.gz NQTGUKHFPIFGFJ-SNVBAGLBSA-N 1 2 239.750 2.895 20 0 BFADLO C[C@@H]1CCCCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235411301 979040883 /nfs/dbraw/zinc/04/08/83/979040883.db2.gz NQTGUKHFPIFGFJ-SNVBAGLBSA-N 1 2 239.750 2.895 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@H]2C)cc(F)c1F ZINC001235435167 979045405 /nfs/dbraw/zinc/04/54/05/979045405.db2.gz VEBFDGPKXKEJNE-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(C[N@H+]2CC[C@H]2C)cc(F)c1F ZINC001235435167 979045410 /nfs/dbraw/zinc/04/54/10/979045410.db2.gz VEBFDGPKXKEJNE-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO CSCC[N@H+](C)Cc1cncc(F)c1Cl ZINC001235499593 979054520 /nfs/dbraw/zinc/05/45/20/979054520.db2.gz DKEIPCABOPHEGC-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CSCC[N@@H+](C)Cc1cncc(F)c1Cl ZINC001235499593 979054527 /nfs/dbraw/zinc/05/45/27/979054527.db2.gz DKEIPCABOPHEGC-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CCn1cc(Nc2ccc(C)[nH+]c2C)c(C)n1 ZINC001203367138 979101528 /nfs/dbraw/zinc/10/15/28/979101528.db2.gz HZAMKMZTUGRZHJ-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO CCC[N@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235679414 979116978 /nfs/dbraw/zinc/11/69/78/979116978.db2.gz FDRMSZTVFFBWON-UHFFFAOYSA-N 1 2 221.279 2.544 20 0 BFADLO CCC[N@@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235679414 979116983 /nfs/dbraw/zinc/11/69/83/979116983.db2.gz FDRMSZTVFFBWON-UHFFFAOYSA-N 1 2 221.279 2.544 20 0 BFADLO C[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235685025 979117779 /nfs/dbraw/zinc/11/77/79/979117779.db2.gz WGDZMNJKAVQYKH-VIFPVBQESA-N 1 2 233.290 2.544 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235685025 979117785 /nfs/dbraw/zinc/11/77/85/979117785.db2.gz WGDZMNJKAVQYKH-VIFPVBQESA-N 1 2 233.290 2.544 20 0 BFADLO Cc1ccc(Nc2ccc(F)nc2)c(C)[nH+]1 ZINC001203367810 979263191 /nfs/dbraw/zinc/26/31/91/979263191.db2.gz PMQVLFBQFGMZPH-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc(-n2cc(N)c3ncccc32)c(C)[nH+]1 ZINC001203370743 979477789 /nfs/dbraw/zinc/47/77/89/979477789.db2.gz TZSDCJWNQBRQHC-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO CC(C)(O)c1ccccc1-c1ccc(N)[nH+]c1 ZINC001236312721 979517924 /nfs/dbraw/zinc/51/79/24/979517924.db2.gz VCGSDHNYQTYUPU-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO COc1cccc(-c2ccc(N)[nH+]c2)c1C ZINC001236313080 979519469 /nfs/dbraw/zinc/51/94/69/979519469.db2.gz HVWYRUOTFUQHJW-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1ccc(-c2ccc(OC(F)F)cc2)c[nH+]1 ZINC001236313520 979520500 /nfs/dbraw/zinc/52/05/00/979520500.db2.gz SUSJVWKLXIFFMB-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO C=COc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236317378 979529923 /nfs/dbraw/zinc/52/99/23/979529923.db2.gz LFVWPYFAPLUNNJ-UHFFFAOYSA-N 1 2 212.252 2.853 20 0 BFADLO COC(OC)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236318469 979532540 /nfs/dbraw/zinc/53/25/40/979532540.db2.gz RPCDOZPUOPKGBJ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Cc1ccc(Nc2ccc(O)cc2O)c(C)[nH+]1 ZINC001203372447 979539682 /nfs/dbraw/zinc/53/96/82/979539682.db2.gz AWKRQGNLQFXBAF-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO Cc1c[nH+]c(-c2c(F)ccc(C)c2O)cc1N ZINC001236393593 979579513 /nfs/dbraw/zinc/57/95/13/979579513.db2.gz WIZYNOTVYWKTEA-UHFFFAOYSA-N 1 2 232.258 2.792 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c2c[nH]nc21 ZINC001236496490 979613143 /nfs/dbraw/zinc/61/31/43/979613143.db2.gz TVYYXYFBETZJKZ-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO O=C1CC[NH+](Cc2cccc3occc32)CC1 ZINC001236735848 979718425 /nfs/dbraw/zinc/71/84/25/979718425.db2.gz UVXQCADOYIPPIZ-UHFFFAOYSA-N 1 2 229.279 2.598 20 0 BFADLO CCCn1cc(NCc2c[nH+]cn2CCC)cn1 ZINC000722371690 979823112 /nfs/dbraw/zinc/82/31/12/979823112.db2.gz RLXKZIMCYGPSJI-UHFFFAOYSA-N 1 2 247.346 2.512 20 0 BFADLO Cc1cc(F)cc(C)c1C[NH+]1CC2(C1)CCCO2 ZINC001237317902 979866735 /nfs/dbraw/zinc/86/67/35/979866735.db2.gz OUZRFOPLIIXQMY-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1c(C)cccc1CC ZINC001237324592 979866971 /nfs/dbraw/zinc/86/69/71/979866971.db2.gz OWZJHRJBGLWSFN-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1c(C)cccc1CC ZINC001237324592 979866978 /nfs/dbraw/zinc/86/69/78/979866978.db2.gz OWZJHRJBGLWSFN-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCc1cccc(C)c1C[N@H+](CC)CC(=O)OC ZINC001237334412 979869354 /nfs/dbraw/zinc/86/93/54/979869354.db2.gz RWXHODXTIPUDNG-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCc1cccc(C)c1C[N@@H+](CC)CC(=O)OC ZINC001237334412 979869358 /nfs/dbraw/zinc/86/93/58/979869358.db2.gz RWXHODXTIPUDNG-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCc1cc(N[C@H]2CC[C@@H](OC)C2)nc(CC)[nH+]1 ZINC001343022884 979980278 /nfs/dbraw/zinc/98/02/78/979980278.db2.gz ZKODPYDMTQEDGY-NWDGAFQWSA-N 1 2 249.358 2.581 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC001237637322 979985886 /nfs/dbraw/zinc/98/58/86/979985886.db2.gz LCYAVTPUAVCSJW-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC001237637322 979985900 /nfs/dbraw/zinc/98/59/00/979985900.db2.gz LCYAVTPUAVCSJW-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCc1[nH]ncc1C[N@H+](C)Cc1cccc(C)c1 ZINC001237648465 980000856 /nfs/dbraw/zinc/00/08/56/980000856.db2.gz ATQZQKUGUJOMPI-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1[nH]ncc1C[N@@H+](C)Cc1cccc(C)c1 ZINC001237648465 980000867 /nfs/dbraw/zinc/00/08/67/980000867.db2.gz ATQZQKUGUJOMPI-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO Cc1nc(C[NH+]2CCC(F)(F)CC2)ccc1F ZINC001237813697 980060774 /nfs/dbraw/zinc/06/07/74/980060774.db2.gz MMUUPYDBQHEFJK-UHFFFAOYSA-N 1 2 244.260 2.760 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1F ZINC001237815405 980067644 /nfs/dbraw/zinc/06/76/44/980067644.db2.gz VTDJFRXCKJOCLS-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1F ZINC001237815405 980067652 /nfs/dbraw/zinc/06/76/52/980067652.db2.gz VTDJFRXCKJOCLS-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO CCCCOC1C[NH+](Cc2cc(O)ccc2C)C1 ZINC001238099022 980146836 /nfs/dbraw/zinc/14/68/36/980146836.db2.gz MGFLUPHVUWWQBF-UHFFFAOYSA-N 1 2 249.354 2.702 20 0 BFADLO Cc1ncncc1C[N@H+](C)Cc1ccccc1F ZINC001238171202 980202624 /nfs/dbraw/zinc/20/26/24/980202624.db2.gz USILXEHPKDIGNW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncncc1C[N@@H+](C)Cc1ccccc1F ZINC001238171202 980202628 /nfs/dbraw/zinc/20/26/28/980202628.db2.gz USILXEHPKDIGNW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[N@@H+](Cc1c(F)ccnc1Cl)CC1CC1 ZINC001238225956 980227573 /nfs/dbraw/zinc/22/75/73/980227573.db2.gz QYCPUDMTXLUHLH-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO C[N@H+](Cc1c(F)ccnc1Cl)CC1CC1 ZINC001238225956 980227582 /nfs/dbraw/zinc/22/75/82/980227582.db2.gz QYCPUDMTXLUHLH-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO Cc1cc(C[NH+]2CCC2)c(F)cc1Cl ZINC001238306285 980237915 /nfs/dbraw/zinc/23/79/15/980237915.db2.gz SBKHKFDNFORXBU-UHFFFAOYSA-N 1 2 213.683 2.993 20 0 BFADLO CCc1cc(N2CC[C@H](C)[C@H]2C)nc(CC)[nH+]1 ZINC001185659409 980265395 /nfs/dbraw/zinc/26/53/95/980265395.db2.gz WYTZYAAQGUMQKQ-WDEREUQCSA-N 1 2 233.359 2.836 20 0 BFADLO COc1c(C[N@@H+]2CC[C@H]2C)ccc(F)c1F ZINC001238465745 980271074 /nfs/dbraw/zinc/27/10/74/980271074.db2.gz BUNULVQABXKCFH-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(C[N@H+]2CC[C@H]2C)ccc(F)c1F ZINC001238465745 980271078 /nfs/dbraw/zinc/27/10/78/980271078.db2.gz BUNULVQABXKCFH-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO F[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@H]1F ZINC000722657088 980310112 /nfs/dbraw/zinc/31/01/12/980310112.db2.gz PQEFMUCTMCTGMK-NXEZZACHSA-N 1 2 239.256 2.804 20 0 BFADLO COc1cc(C)c(C)cc1C[NH+]1CC(C)(OC)C1 ZINC001238757905 980316035 /nfs/dbraw/zinc/31/60/35/980316035.db2.gz HQDAMAVCINPTGP-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO CC[N@H+](Cc1cc(C)c(C)cc1OC)C1COC1 ZINC001238767039 980321879 /nfs/dbraw/zinc/32/18/79/980321879.db2.gz NKTZEZYERAGTSJ-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO CC[N@@H+](Cc1cc(C)c(C)cc1OC)C1COC1 ZINC001238767039 980321890 /nfs/dbraw/zinc/32/18/90/980321890.db2.gz NKTZEZYERAGTSJ-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncnc2Cl)c1 ZINC001203654682 980478399 /nfs/dbraw/zinc/47/83/99/980478399.db2.gz PKMFWHHPLBTLME-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(C)nc2C)c1 ZINC001203656435 980489078 /nfs/dbraw/zinc/48/90/78/980489078.db2.gz SPTVXWBMCUZPDA-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(C)c(C)n2)c1 ZINC001203656452 980489487 /nfs/dbraw/zinc/48/94/87/980489487.db2.gz UHPADDQQKDXGQU-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO COc1nc(C)cnc1Nc1cc(C)c[nH+]c1C ZINC001203656905 980491200 /nfs/dbraw/zinc/49/12/00/980491200.db2.gz CEZZYGMLTWFGJA-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO C[NH+](C)Cc1c(F)cc(-c2cnoc2)cc1F ZINC001239188463 980493332 /nfs/dbraw/zinc/49/33/32/980493332.db2.gz HQDYBRDSTLYPAB-UHFFFAOYSA-N 1 2 238.237 2.681 20 0 BFADLO CCc1nccnc1Nc1cc(C)c[nH+]c1C ZINC001203656419 980494701 /nfs/dbraw/zinc/49/47/01/980494701.db2.gz RTINMURVABCWSQ-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C12CCC(CC1)C2 ZINC001344972854 980509265 /nfs/dbraw/zinc/50/92/65/980509265.db2.gz UORDODMCTZSESX-UHFFFAOYSA-N 1 2 248.326 2.527 20 0 BFADLO Cc1nc(NCc2ccc(O)c(Cl)c2)cc[nH+]1 ZINC001187509551 980529045 /nfs/dbraw/zinc/52/90/45/980529045.db2.gz DLSPJCAJAJTFED-UHFFFAOYSA-N 1 2 249.701 2.756 20 0 BFADLO Nc1cn2ccc(-c3ccc(F)cc3)cc2[nH+]1 ZINC001239474505 980609878 /nfs/dbraw/zinc/60/98/78/980609878.db2.gz VADSCFRWQHUEBS-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001239485348 980635414 /nfs/dbraw/zinc/63/54/14/980635414.db2.gz DGHGCULWOMWFDM-UHFFFAOYSA-N 1 2 209.252 2.885 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@@]1(C)CC=CCC1 ZINC001345609693 980646971 /nfs/dbraw/zinc/64/69/71/980646971.db2.gz GDRTVLLZYZBYMD-AWEZNQCLSA-N 1 2 248.326 2.693 20 0 BFADLO Cc1c(Cl)cccc1CC[NH+]1CCOCC1 ZINC001250276736 980651646 /nfs/dbraw/zinc/65/16/46/980651646.db2.gz NFOCOLOVGFCFRZ-UHFFFAOYSA-N 1 2 239.746 2.523 20 0 BFADLO CCOc1cc(F)ccc1CCn1cc[nH+]c1 ZINC001250316310 980747793 /nfs/dbraw/zinc/74/77/93/980747793.db2.gz IENNZVLEJXDUBV-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO Cc1cccc2[nH]c(CCn3cc[nH+]c3)cc21 ZINC001250321281 980761097 /nfs/dbraw/zinc/76/10/97/980761097.db2.gz ZQGOPFXQYJKJEY-UHFFFAOYSA-N 1 2 225.295 2.916 20 0 BFADLO CSc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250320166 980761157 /nfs/dbraw/zinc/76/11/57/980761157.db2.gz INGVSSKLLGMWNP-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO CC(C)(C)OC(=O)CCc1ccc2[nH+]ccn2c1 ZINC001250328150 980787260 /nfs/dbraw/zinc/78/72/60/980787260.db2.gz UOSOENKBAOUXON-UHFFFAOYSA-N 1 2 246.310 2.609 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])cc1OC ZINC001239617064 980812587 /nfs/dbraw/zinc/81/25/87/980812587.db2.gz UMLVZSRAOCLWTH-DXNUHORPSA-N 1 2 219.284 2.580 20 0 BFADLO CC(=O)c1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001239634811 980820986 /nfs/dbraw/zinc/82/09/86/980820986.db2.gz KSIFVJHINZAZFB-UHFFFAOYSA-N 1 2 226.279 2.842 20 0 BFADLO CNc1cc(-c2cccc(C(C)=O)c2)cc[nH+]1 ZINC001239637571 980825203 /nfs/dbraw/zinc/82/52/03/980825203.db2.gz OXKBNUUGPIJRRZ-UHFFFAOYSA-N 1 2 226.279 2.993 20 0 BFADLO COc1cccc(OC)c1/C(C)=C/C=C/[NH3+] ZINC001239671237 980834546 /nfs/dbraw/zinc/83/45/46/980834546.db2.gz VJSXKRGMHMAVJA-NXZHAISVSA-N 1 2 219.284 2.580 20 0 BFADLO CCc1cn(C[C@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC001190095578 980845845 /nfs/dbraw/zinc/84/58/45/980845845.db2.gz CWCWTSVZPRDQCL-CYBMUJFWSA-N 1 2 234.343 2.937 20 0 BFADLO CCc1cn(CCc2noc3ccccc23)c[nH+]1 ZINC001190103501 980846675 /nfs/dbraw/zinc/84/66/75/980846675.db2.gz LZTREPRQIUVUPJ-UHFFFAOYSA-N 1 2 241.294 2.829 20 0 BFADLO COC(C)(C)Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC001250354158 980847414 /nfs/dbraw/zinc/84/74/14/980847414.db2.gz XVYXJYCPPCSXAN-UHFFFAOYSA-N 1 2 218.300 2.839 20 0 BFADLO Cc1cc(N[C@@H](C)CCO)[nH+]c2ccccc12 ZINC000077226315 980848201 /nfs/dbraw/zinc/84/82/01/980848201.db2.gz IYUGFZNHCZPUIX-NSHDSACASA-N 1 2 230.311 2.726 20 0 BFADLO CC/C(C)=C\C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001346607662 980869023 /nfs/dbraw/zinc/86/90/23/980869023.db2.gz BFGWTUHLKQTSAZ-FLIBITNWSA-N 1 2 236.315 2.518 20 0 BFADLO COc1ccc(-c2cccc3[nH+]c(C)cn32)cn1 ZINC001239727137 980880212 /nfs/dbraw/zinc/88/02/12/980880212.db2.gz SPBXEWXIQWPBGE-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CC(=O)Nc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001239754366 980897592 /nfs/dbraw/zinc/89/75/92/980897592.db2.gz TZFHXXBSDWKLOK-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO CCc1nc(OC)ccc1-c1cc[nH+]c(NC)c1 ZINC001239777785 980911443 /nfs/dbraw/zinc/91/14/43/980911443.db2.gz MCPVEFVGQKUQID-UHFFFAOYSA-N 1 2 243.310 2.756 20 0 BFADLO c1cn2cc(-c3ccc4c(c3)CCO4)ccc2[nH+]1 ZINC001239805310 980942281 /nfs/dbraw/zinc/94/22/81/980942281.db2.gz XAFWECXXRSLKRN-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO CNc1cc(-c2ccc3c(c2)CCO3)cc[nH+]1 ZINC001239806618 980943757 /nfs/dbraw/zinc/94/37/57/980943757.db2.gz LKVMJWJLMLEQQV-UHFFFAOYSA-N 1 2 226.279 2.725 20 0 BFADLO COc1ncccc1-c1[nH+]ccc2[nH]ccc21 ZINC001239854426 980991236 /nfs/dbraw/zinc/99/12/36/980991236.db2.gz DSZHYWVGDKIBNQ-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO c1ccc(C[NH+]2CC(OC3CCCC3)C2)cc1 ZINC001205560658 981007127 /nfs/dbraw/zinc/00/71/27/981007127.db2.gz MCJGACXBRXGTOC-UHFFFAOYSA-N 1 2 231.339 2.830 20 0 BFADLO COc1cncc(-c2cn3cc[nH+]c3cc2C)c1 ZINC001239929676 981039218 /nfs/dbraw/zinc/03/92/18/981039218.db2.gz PXNDURFLQIISAT-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn(-c2ccccc2Nc2cnoc2)c[nH+]1 ZINC001203237585 981040753 /nfs/dbraw/zinc/04/07/53/981040753.db2.gz FMWHPPINQYMKQW-UHFFFAOYSA-N 1 2 226.239 2.604 20 0 BFADLO Cc1ccncc1-c1c[nH+]c(N(C)C)cc1C ZINC001239974448 981078217 /nfs/dbraw/zinc/07/82/17/981078217.db2.gz USRWXYOZPIWTDW-UHFFFAOYSA-N 1 2 227.311 2.826 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4cncnc4c3)nc2[nH]1 ZINC001239977113 981085701 /nfs/dbraw/zinc/08/57/01/981085701.db2.gz WFJGEUUHAAIXLA-UHFFFAOYSA-N 1 2 247.261 2.520 20 0 BFADLO COc1cc(F)ccc1-c1cc[nH+]c2c1CCN2 ZINC001240000798 981095162 /nfs/dbraw/zinc/09/51/62/981095162.db2.gz REOBVDXMNLICNS-UHFFFAOYSA-N 1 2 244.269 2.507 20 0 BFADLO Cc1n[nH]c(C)c1-c1cc(C)cn2cc[nH+]c12 ZINC001240125812 981123386 /nfs/dbraw/zinc/12/33/86/981123386.db2.gz PJQQKLOOHQVWNC-UHFFFAOYSA-N 1 2 226.283 2.650 20 0 BFADLO CCCn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240130667 981131819 /nfs/dbraw/zinc/13/18/19/981131819.db2.gz LEKMGKZZXMVHIG-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO CCCn1cc(-c2cc(C)c3[nH+]ccn3c2)cn1 ZINC001240133561 981135945 /nfs/dbraw/zinc/13/59/45/981135945.db2.gz IOHSUEBRQOBQGZ-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)c(F)cn1 ZINC001240218103 981166872 /nfs/dbraw/zinc/16/68/72/981166872.db2.gz ASKDCXHGPNNXFH-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cc(-c3ccc4nccnc4c3)ccc2[nH+]1 ZINC001240217933 981167204 /nfs/dbraw/zinc/16/72/04/981167204.db2.gz RMQAJAUDAHYAIL-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)ncc1F ZINC001240216827 981167275 /nfs/dbraw/zinc/16/72/75/981167275.db2.gz OFISLKGHLFJCMV-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO COc1nccc(C)c1-c1ccc2[nH+]ccn2c1 ZINC001240218312 981169975 /nfs/dbraw/zinc/16/99/75/981169975.db2.gz KPOIVDAQEFEHPA-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2cc(-c3cnc4c(c3)CCC4)ccc2[nH+]1 ZINC001240219315 981170346 /nfs/dbraw/zinc/17/03/46/981170346.db2.gz GAMABPPWYLWSJZ-UHFFFAOYSA-N 1 2 235.290 2.885 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@@](C)(F)C2)[nH+]1 ZINC001348195573 981307293 /nfs/dbraw/zinc/30/72/93/981307293.db2.gz NIZUNWICJPVZFJ-GFCCVEGCSA-N 1 2 226.270 2.858 20 0 BFADLO Nc1cc(-c2ccc3ncsc3c2)cc[nH+]1 ZINC001240344968 981309476 /nfs/dbraw/zinc/30/94/76/981309476.db2.gz VMSFSSNLPCDFBG-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(-c2cnn(C)c2)cc1 ZINC001240364754 981317891 /nfs/dbraw/zinc/31/78/91/981317891.db2.gz KBKCKDXDTJYTBO-KGNILVOKSA-N 1 2 239.322 2.963 20 0 BFADLO Cc1cc(-c2cnn(CCC(C)C)c2)c[nH+]c1N ZINC001240419855 981368485 /nfs/dbraw/zinc/36/84/85/981368485.db2.gz AITOLVQJKMCPOP-UHFFFAOYSA-N 1 2 244.342 2.882 20 0 BFADLO c1cn2ccc(-c3ccc4ccncc4n3)cc2[nH+]1 ZINC001240497098 981417139 /nfs/dbraw/zinc/41/71/39/981417139.db2.gz YFCMITOCYZKWJA-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Fc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497278 981417210 /nfs/dbraw/zinc/41/72/10/981417210.db2.gz USHCXGYUKGFTEQ-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cc(F)cnc1-c1ccn2cc[nH+]c2c1 ZINC001240496222 981418358 /nfs/dbraw/zinc/41/83/58/981418358.db2.gz INASPKOXGPFZQO-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1nc2ccc(-c3ccn4cc[nH+]c4c3)nc2[nH]1 ZINC001240496708 981419144 /nfs/dbraw/zinc/41/91/44/981419144.db2.gz RGJBWELLTBHTKJ-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO CCOc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240502947 981430044 /nfs/dbraw/zinc/43/00/44/981430044.db2.gz BOJOPCAFNLSKIV-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO CC(C)c1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240504092 981430798 /nfs/dbraw/zinc/43/07/98/981430798.db2.gz YBMTVYPONMJWMI-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Cc1nc(F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240503373 981431262 /nfs/dbraw/zinc/43/12/62/981431262.db2.gz NFLWJBBKBYNDDC-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cccc(-c3ccn4cc[nH+]c4c3)c2n1 ZINC001240502952 981431387 /nfs/dbraw/zinc/43/13/87/981431387.db2.gz BUZXKSRLZOBWGW-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO c1cn2ccc(-c3ccc4cnncc4c3)cc2[nH+]1 ZINC001240508686 981432741 /nfs/dbraw/zinc/43/27/41/981432741.db2.gz IUDIRSQYMYOPAI-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Fc1cc(-c2ccn3cc[nH+]c3c2)cnc1F ZINC001240509445 981434926 /nfs/dbraw/zinc/43/49/26/981434926.db2.gz ZLKSDZCWDVRUIA-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO c1cn2ccc(-c3cnc4ccncc4c3)cc2[nH+]1 ZINC001240512132 981437221 /nfs/dbraw/zinc/43/72/21/981437221.db2.gz PSAXBFHAEHDREP-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2ccc(-c3cnn(CC4CC4)c3)cc2[nH+]1 ZINC001240511529 981437239 /nfs/dbraw/zinc/43/72/39/981437239.db2.gz IJQJMWMCCNKMIM-UHFFFAOYSA-N 1 2 238.294 2.608 20 0 BFADLO Nc1ccc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240512013 981437485 /nfs/dbraw/zinc/43/74/85/981437485.db2.gz OHOXGUUGROJUQG-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1ccc(N)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240512193 981437884 /nfs/dbraw/zinc/43/78/84/981437884.db2.gz RTYQXFOIVRQIQV-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO c1cn2ccc(-c3ccc4c[nH]nc4c3)cc2[nH+]1 ZINC001240556758 981473610 /nfs/dbraw/zinc/47/36/10/981473610.db2.gz VPNXWFYIKMZSAD-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC[C@@H](F)C1 ZINC001331531093 981487700 /nfs/dbraw/zinc/48/77/00/981487700.db2.gz FQOWXWGZAHUQMA-ZJUUUORDSA-N 1 2 224.279 2.783 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccncc1C ZINC001240610699 981506433 /nfs/dbraw/zinc/50/64/33/981506433.db2.gz MXYHEBYMTADEDY-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO CCN(C)c1cc(C)[nH+]c(C=C(C)C)n1 ZINC001240633971 981525654 /nfs/dbraw/zinc/52/56/54/981525654.db2.gz ZGQVNAFHPMACRG-UHFFFAOYSA-N 1 2 205.305 2.664 20 0 BFADLO CCCOC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001194097171 981574417 /nfs/dbraw/zinc/57/44/17/981574417.db2.gz ZWJKMOSVJICPKT-UHFFFAOYSA-N 1 2 233.271 2.601 20 0 BFADLO CCn1nccc1-c1cccc2[nH+]c(C)cn21 ZINC001240695851 981603509 /nfs/dbraw/zinc/60/35/09/981603509.db2.gz SVXLTRPLMQEOOQ-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1n[nH]c(C)c1CNc1c[nH+]c(C)c(C)c1 ZINC001349787523 981737677 /nfs/dbraw/zinc/73/76/77/981737677.db2.gz KVJJIPOYZGGDDI-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C1C(C)(C)C1(C)C ZINC001349792535 981745372 /nfs/dbraw/zinc/74/53/72/981745372.db2.gz WHXNOSWAPUTUPC-UHFFFAOYSA-N 1 2 246.354 2.741 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CC[C@@H](C)C1 ZINC001349792379 981746307 /nfs/dbraw/zinc/74/63/07/981746307.db2.gz VSJGIUDUYKMBMZ-QVASGMJFSA-N 1 2 244.338 2.805 20 0 BFADLO COc1c(F)ccc(F)c1-c1cc(N)cc[nH+]1 ZINC001240720960 981752816 /nfs/dbraw/zinc/75/28/16/981752816.db2.gz FRCSKAOEIPTTTQ-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO CN(C)c1cc(-c2ccc(O)c(F)c2)cc[nH+]1 ZINC001240787233 981831457 /nfs/dbraw/zinc/83/14/57/981831457.db2.gz SIZXJLISDQZJKX-UHFFFAOYSA-N 1 2 232.258 2.659 20 0 BFADLO CC[C@H]1CCCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001349985885 981837525 /nfs/dbraw/zinc/83/75/25/981837525.db2.gz KMAILGUVYJASML-QWRGUYRKSA-N 1 2 237.347 2.815 20 0 BFADLO c1cn2cccc(-c3ccc4c(c3)OCO4)c2[nH+]1 ZINC001240899208 981949493 /nfs/dbraw/zinc/94/94/93/981949493.db2.gz VOQKETBGBTXQDL-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO COc1cc[nH+]cc1-c1ccc(N(C)C)cc1 ZINC001240913336 981963705 /nfs/dbraw/zinc/96/37/05/981963705.db2.gz GSRAZKUSPCADRQ-UHFFFAOYSA-N 1 2 228.295 2.823 20 0 BFADLO CN(C)c1cc(-c2cccc(O)c2)cc[nH+]1 ZINC001240924632 981988916 /nfs/dbraw/zinc/98/89/16/981988916.db2.gz PTGVZMLACIGBON-UHFFFAOYSA-N 1 2 214.268 2.520 20 0 BFADLO Oc1cccc(-c2cccn3cc[nH+]c23)c1 ZINC001240924702 981990888 /nfs/dbraw/zinc/99/08/88/981990888.db2.gz MQFWLNXJGCKXPP-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(OC)c1OC ZINC001240932799 982008650 /nfs/dbraw/zinc/00/86/50/982008650.db2.gz LBUWWCIZFZJADF-NXZHAISVSA-N 1 2 249.310 2.588 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)cc1N ZINC001240961725 982037323 /nfs/dbraw/zinc/03/73/23/982037323.db2.gz GDMITDNDUFDFQI-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2occc(=O)c2c1 ZINC001240968957 982046862 /nfs/dbraw/zinc/04/68/62/982046862.db2.gz VIFQMFDCAPLEBS-GBWIQOKOSA-N 1 2 227.263 2.669 20 0 BFADLO Cc1c(-c2ccccc2N)ccc2[nH+]ccn21 ZINC001241079434 982196401 /nfs/dbraw/zinc/19/64/01/982196401.db2.gz PSJGCXCGXYLSMU-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CCOc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001241116987 982234576 /nfs/dbraw/zinc/23/45/76/982234576.db2.gz PLKHCCBGOJMIHQ-MPEOSAONSA-N 1 2 203.285 2.961 20 0 BFADLO COc1cccc(-c2cc[nH+]c(N)c2)c1C ZINC001241162374 982297296 /nfs/dbraw/zinc/29/72/96/982297296.db2.gz HYIVWLLTFQOGPG-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1cc(-c2ccc3c(c2)C=CC3)cc[nH+]1 ZINC001241170526 982318107 /nfs/dbraw/zinc/31/81/07/982318107.db2.gz MOXILEWUHRUOPR-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO Nc1cc(-c2ccnc(OC3CCC3)c2)cc[nH+]1 ZINC001241170933 982321406 /nfs/dbraw/zinc/32/14/06/982321406.db2.gz YPGFNVNQZKSXNN-UHFFFAOYSA-N 1 2 241.294 2.657 20 0 BFADLO CSc1ccc(-c2cc[nH+]c(N)c2)c(C)n1 ZINC001241175881 982322690 /nfs/dbraw/zinc/32/26/90/982322690.db2.gz PKXIDDVSUAPGBI-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1ccc(N(C)C)cc1-c1cc[nH+]c(N)c1 ZINC001241176059 982326345 /nfs/dbraw/zinc/32/63/45/982326345.db2.gz SPKFFNVFUKUVCE-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO COc1cc(C)c(C)cc1-c1cc[nH+]c(N)c1 ZINC001241175870 982327513 /nfs/dbraw/zinc/32/75/13/982327513.db2.gz OSOVCVBQKHGOOC-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Fc1cnccc1-c1[nH+]ccc2[nH]ccc21 ZINC001241223322 982361698 /nfs/dbraw/zinc/36/16/98/982361698.db2.gz YOFNIWNDVUNWHO-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO CC(C)(C)c1cn(Cc2cscn2)c[nH+]1 ZINC001351782956 982384771 /nfs/dbraw/zinc/38/47/71/982384771.db2.gz STTYAZGVHHRPEJ-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO Cc1cnc(F)c(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241243498 982387201 /nfs/dbraw/zinc/38/72/01/982387201.db2.gz IEOMAJRIHKJYSO-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1nccc(F)c1C ZINC001241232963 982387655 /nfs/dbraw/zinc/38/76/55/982387655.db2.gz BNSDWUXKQPKCMO-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)cnc1C ZINC001241248908 982389565 /nfs/dbraw/zinc/38/95/65/982389565.db2.gz YLFCHLKARDAZBS-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1c(F)ccnc1F ZINC001241248816 982389657 /nfs/dbraw/zinc/38/96/57/982389657.db2.gz WCQFZTGHAUXCHR-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO C=Cc1ncc(-c2c[nH+]c(N(C)C)cc2C)cn1 ZINC001241258345 982395409 /nfs/dbraw/zinc/39/54/09/982395409.db2.gz ZPTUVJXDWJEXDA-UHFFFAOYSA-N 1 2 240.310 2.556 20 0 BFADLO CCOc1cccc(-c2ccc[nH+]c2N)c1F ZINC001241264941 982400802 /nfs/dbraw/zinc/40/08/02/982400802.db2.gz PFNJBCCUMSNQQD-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO CC(C)OC(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001241284026 982428653 /nfs/dbraw/zinc/42/86/53/982428653.db2.gz HZRYIVQNGGNQKZ-UHFFFAOYSA-N 1 2 244.294 2.652 20 0 BFADLO COc1ncc(C)cc1-c1ccn2cc[nH+]c2c1 ZINC001241364629 982524102 /nfs/dbraw/zinc/52/41/02/982524102.db2.gz OKGZMHLQYCWICM-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001241386549 982543857 /nfs/dbraw/zinc/54/38/57/982543857.db2.gz OTWPHQUOVGMQDI-UHFFFAOYSA-N 1 2 225.295 2.674 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(-n2cccn2)cc1 ZINC001241392001 982546525 /nfs/dbraw/zinc/54/65/25/982546525.db2.gz MDCCJNWMCVWLOV-NZVDJXDVSA-N 1 2 225.295 2.748 20 0 BFADLO Cn1ncc2c1cccc2-c1cccc2[nH+]ccn21 ZINC001241449483 982604485 /nfs/dbraw/zinc/60/44/85/982604485.db2.gz FZTYCWMPPFJNHB-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1ncc2cccc(-c3ccn4cc[nH+]c4c3)c21 ZINC001241454774 982609184 /nfs/dbraw/zinc/60/91/84/982609184.db2.gz JLEXHIQFFMLUAI-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CC(C)OC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC001352900384 982631851 /nfs/dbraw/zinc/63/18/51/982631851.db2.gz WTYQWPGSARYQIS-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001352900384 982631855 /nfs/dbraw/zinc/63/18/55/982631855.db2.gz WTYQWPGSARYQIS-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO Cc1ccc(-c2ccc3nccnc3c2)[nH+]c1N ZINC001241489579 982638407 /nfs/dbraw/zinc/63/84/07/982638407.db2.gz RCQHZZOHZVEILJ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CNc1cc(-c2ccc([S@@](C)=O)cc2)cc[nH+]1 ZINC001241485780 982639832 /nfs/dbraw/zinc/63/98/32/982639832.db2.gz ACIBCWJLLQMSCC-QGZVFWFLSA-N 1 2 246.335 2.528 20 0 BFADLO Cc1cc(-c2cccc(CO)c2)c2[nH+]ccn2c1 ZINC001241509817 982667393 /nfs/dbraw/zinc/66/73/93/982667393.db2.gz WKUBWGZRDYNNAF-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CC(=CC=C[NH3+])c1c2c[nH]nc2ccc1C ZINC001241520648 982684158 /nfs/dbraw/zinc/68/41/58/982684158.db2.gz CLHFRQWFFJLUJP-DDEWIXKASA-N 1 2 213.284 2.747 20 0 BFADLO Cc1cn2c(cccc2-c2ccc(N)cc2)[nH+]1 ZINC001241541567 982731514 /nfs/dbraw/zinc/73/15/14/982731514.db2.gz BUWKBNVNCPPNCF-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cn1cc2cc(-c3cccc4[nH+]ccn43)ccc2n1 ZINC001241608513 982847908 /nfs/dbraw/zinc/84/79/08/982847908.db2.gz PUYCFRKNTAFGCY-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CSc1ncc(-c2cccc3[nH+]ccn32)cn1 ZINC001241628280 982863786 /nfs/dbraw/zinc/86/37/86/982863786.db2.gz ZTSNVYJSEFNLOP-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO COc1cc(-c2c[nH+]c(C)cc2OC)c(F)cn1 ZINC001241665059 982897110 /nfs/dbraw/zinc/89/71/10/982897110.db2.gz VOQZOPJZQNBZAQ-UHFFFAOYSA-N 1 2 248.257 2.608 20 0 BFADLO Oc1cccc2sc(C[NH2+]CC(F)F)cc21 ZINC001353592429 982901695 /nfs/dbraw/zinc/90/16/95/982901695.db2.gz FQVODLHUFAMBPI-UHFFFAOYSA-N 1 2 243.278 2.962 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2ccncc2c1 ZINC001241676693 982930245 /nfs/dbraw/zinc/93/02/45/982930245.db2.gz WKNOTMFMGDSFMK-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO CCCn1nc(C)cc1-c1c[nH+]c(C)cc1OC ZINC001241763630 983039079 /nfs/dbraw/zinc/03/90/79/983039079.db2.gz BZDTXHCEXVRWMX-UHFFFAOYSA-N 1 2 245.326 2.981 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc(F)c(CO)c1 ZINC001241788876 983050352 /nfs/dbraw/zinc/05/03/52/983050352.db2.gz DZUCIVCHFKSPNE-UHFFFAOYSA-N 1 2 231.270 2.997 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)cn1 ZINC001241807270 983061442 /nfs/dbraw/zinc/06/14/42/983061442.db2.gz IZRGBIAVFHQWKX-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cscn1 ZINC001241890698 983108231 /nfs/dbraw/zinc/10/82/31/983108231.db2.gz NCIWIVMHEDBJCR-UHFFFAOYSA-N 1 2 219.313 2.580 20 0 BFADLO Cc1ccc(NCc2cccc3[nH+]ccn32)cn1 ZINC001201141089 983142228 /nfs/dbraw/zinc/14/22/28/983142228.db2.gz WOBGFPQBFZKRSY-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(-c2nnc(C)o2)c1 ZINC001241935926 983144970 /nfs/dbraw/zinc/14/49/70/983144970.db2.gz JXEKHPKYXCARGC-DXNUHORPSA-N 1 2 241.294 2.921 20 0 BFADLO COc1ccc(-c2cc[nH+]c(C)c2C)cc1CO ZINC001241931593 983147759 /nfs/dbraw/zinc/14/77/59/983147759.db2.gz YLNGHZMATZTIPX-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO CC(=O)c1ccc(Nc2ccc(N)[nH+]c2)c(F)c1 ZINC001201285731 983159719 /nfs/dbraw/zinc/15/97/19/983159719.db2.gz NZLWJXWDVXXHBW-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO CC(=O)c1cc(F)ccc1Nc1ccc(N)[nH+]c1 ZINC001201285970 983161286 /nfs/dbraw/zinc/16/12/86/983161286.db2.gz SYMGLQSYMXXFMY-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO CC(=O)c1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC001201285900 983161369 /nfs/dbraw/zinc/16/13/69/983161369.db2.gz SARHCDMXVOBRJL-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO Nc1ccc(Nc2ccc3ccncc3c2)c[nH+]1 ZINC001201286955 983163294 /nfs/dbraw/zinc/16/32/94/983163294.db2.gz JXQWFAQWCCGWDV-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Nc1ccc(Nc2cccc(Cl)c2O)c[nH+]1 ZINC001201287043 983165708 /nfs/dbraw/zinc/16/57/08/983165708.db2.gz PWFOXLPLUMKOMB-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO Nc1ccc(Nc2ccc(Cl)c(CO)c2)c[nH+]1 ZINC001201291190 983168787 /nfs/dbraw/zinc/16/87/87/983168787.db2.gz FMAASFKXZMHEHG-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Nc1ccc(Nc2nc3ccc(F)cc3o2)c[nH+]1 ZINC001201271790 983172043 /nfs/dbraw/zinc/17/20/43/983172043.db2.gz CRVAORVIKJNXCK-UHFFFAOYSA-N 1 2 244.229 2.688 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)cnc1Cl ZINC001201272462 983174472 /nfs/dbraw/zinc/17/44/72/983174472.db2.gz ORCTVAIPZPGPOA-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO c1cc2cc(NCCCn3cc[nH+]c3)ccc2[nH]1 ZINC000082711697 983175115 /nfs/dbraw/zinc/17/51/15/983175115.db2.gz ZDIDGRKGJJMJMC-UHFFFAOYSA-N 1 2 240.310 2.867 20 0 BFADLO Nc1ccc(Nc2cnccc2C2CC2)c[nH+]1 ZINC001201278831 983178063 /nfs/dbraw/zinc/17/80/63/983178063.db2.gz OQMPQHPJCGXUSI-UHFFFAOYSA-N 1 2 226.283 2.680 20 0 BFADLO Cc1cc(-c2cccc(C(N)=O)c2C)cc(C)[nH+]1 ZINC001241992162 983186046 /nfs/dbraw/zinc/18/60/46/983186046.db2.gz DYJZAVDAOQEIGM-UHFFFAOYSA-N 1 2 240.306 2.773 20 0 BFADLO Cc1cc(-c2cccc3c2CC(=O)N3)cc(C)[nH+]1 ZINC001241992670 983186082 /nfs/dbraw/zinc/18/60/82/983186082.db2.gz VTPTXQLEKQCKPH-UHFFFAOYSA-N 1 2 238.290 2.860 20 0 BFADLO CC[C@H]1CN(c2cc(F)cc(C)[nH+]2)CCCO1 ZINC001354183797 983188855 /nfs/dbraw/zinc/18/88/55/983188855.db2.gz JTRLPKHCCFYHSS-LBPRGKRZSA-N 1 2 238.306 2.534 20 0 BFADLO c1c[nH+]c(-c2ccc(O[C@H]3CCCCO3)cc2)[nH]1 ZINC001242017467 983216729 /nfs/dbraw/zinc/21/67/29/983216729.db2.gz MADWZPOGHNEGDK-ZDUSSCGKSA-N 1 2 244.294 2.982 20 0 BFADLO Fc1cnc2ccc(-c3[nH]cc[nH+]3)cc2c1 ZINC001242018996 983224338 /nfs/dbraw/zinc/22/43/38/983224338.db2.gz URHXRMFNDVSIQW-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO CC1(C)Cc2cc(-c3[nH]cc[nH+]3)ccc2NC1=O ZINC001242019669 983226757 /nfs/dbraw/zinc/22/67/57/983226757.db2.gz JKFPTXUZLPICCO-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO CC(C)(C)C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201427258 983228563 /nfs/dbraw/zinc/22/85/63/983228563.db2.gz VLNPWJNNIAPURX-SECBINFHSA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)(C)C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201427258 983228569 /nfs/dbraw/zinc/22/85/69/983228569.db2.gz VLNPWJNNIAPURX-SECBINFHSA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2ccn[nH]c2=O)cc1 ZINC001201491070 983258938 /nfs/dbraw/zinc/25/89/38/983258938.db2.gz LGTBUMDIQUBHHL-UHFFFAOYSA-N 1 2 244.298 2.746 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccnnc2)cc1 ZINC001242061971 983278289 /nfs/dbraw/zinc/27/82/89/983278289.db2.gz ZVBVHKRRDZOBTC-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc(C(C)(C)C)n1 ZINC001242070811 983304413 /nfs/dbraw/zinc/30/44/13/983304413.db2.gz MEGWVQGHVKKMQG-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ccc(C(C)C)nn1 ZINC001242071027 983304427 /nfs/dbraw/zinc/30/44/27/983304427.db2.gz RBAOMANRSSCTFV-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO CC[C@H](C)C[N@H+]1Cc2nc(C)sc2C1 ZINC001201516985 983315559 /nfs/dbraw/zinc/31/55/59/983315559.db2.gz IQXKOUUQAVOBHH-QMMMGPOBSA-N 1 2 210.346 2.813 20 0 BFADLO CC[C@H](C)C[N@@H+]1Cc2nc(C)sc2C1 ZINC001201516985 983315564 /nfs/dbraw/zinc/31/55/64/983315564.db2.gz IQXKOUUQAVOBHH-QMMMGPOBSA-N 1 2 210.346 2.813 20 0 BFADLO CC[C@@H](C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201521797 983319935 /nfs/dbraw/zinc/31/99/35/983319935.db2.gz YSEFKGVSHRWXOI-LLVKDONJSA-N 1 2 242.363 2.543 20 0 BFADLO CC[C@@H](C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201521797 983319942 /nfs/dbraw/zinc/31/99/42/983319942.db2.gz YSEFKGVSHRWXOI-LLVKDONJSA-N 1 2 242.363 2.543 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ccc(C(C)(C)C)nn1 ZINC001242079058 983327619 /nfs/dbraw/zinc/32/76/19/983327619.db2.gz XRPPQJTUXQLTID-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ccc(C2CCC2)nn1 ZINC001242078335 983327719 /nfs/dbraw/zinc/32/77/19/983327719.db2.gz HNUVWDZPMMICEG-UHFFFAOYSA-N 1 2 240.310 2.697 20 0 BFADLO O=C1CCC[N@@H+](CCCc2ccccc2)C[C@@H]1F ZINC001201652862 983403290 /nfs/dbraw/zinc/40/32/90/983403290.db2.gz LZLOELVFEPZDHQ-AWEZNQCLSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1CCC[N@H+](CCCc2ccccc2)C[C@@H]1F ZINC001201652862 983403294 /nfs/dbraw/zinc/40/32/94/983403294.db2.gz LZLOELVFEPZDHQ-AWEZNQCLSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1CCC[N@@H+](CCCc2ccccc2)C[C@H]1F ZINC001201652863 983405239 /nfs/dbraw/zinc/40/52/39/983405239.db2.gz LZLOELVFEPZDHQ-CQSZACIVSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1CCC[N@H+](CCCc2ccccc2)C[C@H]1F ZINC001201652863 983405241 /nfs/dbraw/zinc/40/52/41/983405241.db2.gz LZLOELVFEPZDHQ-CQSZACIVSA-N 1 2 249.329 2.622 20 0 BFADLO Nc1ccc(C2=CCC(F)(F)CC2)c[nH+]1 ZINC001242234410 983436829 /nfs/dbraw/zinc/43/68/29/983436829.db2.gz QECKWEZEBLYOPT-UHFFFAOYSA-N 1 2 210.227 2.866 20 0 BFADLO CCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201743136 983445723 /nfs/dbraw/zinc/44/57/23/983445723.db2.gz KVHNDSNVDMBXML-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001201743136 983445727 /nfs/dbraw/zinc/44/57/27/983445727.db2.gz KVHNDSNVDMBXML-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001201743448 983452374 /nfs/dbraw/zinc/45/23/74/983452374.db2.gz NGRJDCLHJIULDW-NSHDSACASA-N 1 2 215.312 2.570 20 0 BFADLO CCCCCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001201743448 983452387 /nfs/dbraw/zinc/45/23/87/983452387.db2.gz NGRJDCLHJIULDW-NSHDSACASA-N 1 2 215.312 2.570 20 0 BFADLO CNc1cc(-c2cc3c[nH]nc3cc2C)cc[nH+]1 ZINC001242285116 983506019 /nfs/dbraw/zinc/50/60/19/983506019.db2.gz LMIBJYYYCWZIDY-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO O=C(CCCF)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001355481869 983506479 /nfs/dbraw/zinc/50/64/79/983506479.db2.gz GTBYCGOCHDPPBL-UHFFFAOYSA-N 1 2 247.273 2.561 20 0 BFADLO Oc1c(F)cccc1-c1ccn2cc[nH+]c2c1 ZINC001242350403 983614832 /nfs/dbraw/zinc/61/48/32/983614832.db2.gz DKGLKFBTSHKGTA-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(F)c1O ZINC001242351843 983629286 /nfs/dbraw/zinc/62/92/86/983629286.db2.gz WUMFIDLKCZDMNT-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2cc[nH]c21 ZINC001242361129 983647921 /nfs/dbraw/zinc/64/79/21/983647921.db2.gz KZJATEXQEMACRD-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO Cc1cnc(-c2cccc(Cl)c2O)c(C[NH3+])c1 ZINC001242364945 983657148 /nfs/dbraw/zinc/65/71/48/983657148.db2.gz NNZQBKBXQBCURB-UHFFFAOYSA-N 1 2 248.713 2.875 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(OC(F)F)nc1 ZINC001242419072 983728252 /nfs/dbraw/zinc/72/82/52/983728252.db2.gz FTAHMQGWZWMXFF-YALUOGEHSA-N 1 2 226.226 2.559 20 0 BFADLO CC(C)n1ccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001242453662 983750546 /nfs/dbraw/zinc/75/05/46/983750546.db2.gz RVGJUOFRXRXEBN-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO COc1c(F)cccc1/C(C)=C/C=C/[NH3+] ZINC001242483053 983810757 /nfs/dbraw/zinc/81/07/57/983810757.db2.gz BZVALSDTEGWACB-KBXRYBNXSA-N 1 2 207.248 2.710 20 0 BFADLO CSCCC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001473880284 983894516 /nfs/dbraw/zinc/89/45/16/983894516.db2.gz WCAOPHQCGKVVFP-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CSCCC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001473880284 983894519 /nfs/dbraw/zinc/89/45/19/983894519.db2.gz WCAOPHQCGKVVFP-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1cn2cc(-c3c[nH]c(=O)c(F)c3)ccc2[nH+]1 ZINC001242616144 983995215 /nfs/dbraw/zinc/99/52/15/983995215.db2.gz WMBNJKBKNRUKKA-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO CCOc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242660113 984029236 /nfs/dbraw/zinc/02/92/36/984029236.db2.gz HQDLANDKXROORC-UHFFFAOYSA-N 1 2 241.294 2.510 20 0 BFADLO Oc1ccc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001242762872 984128278 /nfs/dbraw/zinc/12/82/78/984128278.db2.gz LSKJLLXHTTZGDY-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Nc1c(F)cc(-c2cccc3[nH+]ccn32)cc1F ZINC001242838796 984188304 /nfs/dbraw/zinc/18/83/04/984188304.db2.gz IVMSCDYKMTVPBI-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO Nc1cc(-c2ccc3c(c2)C(=O)CCC3)cc[nH+]1 ZINC001242856360 984196767 /nfs/dbraw/zinc/19/67/67/984196767.db2.gz AKZYWOHODJMIFU-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO Cc1c(F)nccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001212838163 984269131 /nfs/dbraw/zinc/26/91/31/984269131.db2.gz MXNUARDWXJQBLJ-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO Cc1cccc(Nc2ccnc(F)c2C)[nH+]1 ZINC001212838546 984270546 /nfs/dbraw/zinc/27/05/46/984270546.db2.gz WXMZUSXTVDZGQB-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO CNc1cc(-c2cnc(OC)c(Cl)c2)cc[nH+]1 ZINC001242933697 984304626 /nfs/dbraw/zinc/30/46/26/984304626.db2.gz FHNWJGVIDLIAKO-UHFFFAOYSA-N 1 2 249.701 2.847 20 0 BFADLO c1cn2cc(-c3cnn4ccccc34)ccc2[nH+]1 ZINC001242961514 984323713 /nfs/dbraw/zinc/32/37/13/984323713.db2.gz JTAAFFOHVHILKH-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO COc1cc(C)ccc1-c1c[nH+]c(N)c(C)c1 ZINC001242981247 984350539 /nfs/dbraw/zinc/35/05/39/984350539.db2.gz TYOXUHOZVVWJJS-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cn1c[nH+]cc1-c1cc(C(F)(F)F)ccc1N ZINC001243004429 984366274 /nfs/dbraw/zinc/36/62/74/984366274.db2.gz UGZIKMUMPJSUCK-UHFFFAOYSA-N 1 2 241.216 2.688 20 0 BFADLO Nc1cn2ccc(-c3cnccc3Cl)cc2[nH+]1 ZINC001243043408 984381018 /nfs/dbraw/zinc/38/10/18/984381018.db2.gz PMLCIOULYBVXND-UHFFFAOYSA-N 1 2 244.685 2.632 20 0 BFADLO Cc1occc1-c1c[nH+]c2c(c1)CCCN2 ZINC001243064903 984458287 /nfs/dbraw/zinc/45/82/87/984458287.db2.gz OYHZJMZMAKLMFA-UHFFFAOYSA-N 1 2 214.268 2.651 20 0 BFADLO COc1cc2[nH]ccc2c(-c2c[nH+]cn2C)c1 ZINC001243066961 984479774 /nfs/dbraw/zinc/47/97/74/984479774.db2.gz DQTUBDGKGFWTEB-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO Cc1c[nH]c2cccc(-c3c[nH+]cn3C)c12 ZINC001243067172 984481207 /nfs/dbraw/zinc/48/12/07/984481207.db2.gz GKGKXHXAJVCMTC-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2csnc2c1 ZINC001243067234 984485631 /nfs/dbraw/zinc/48/56/31/984485631.db2.gz HDUVPYMSWMBPJF-UHFFFAOYSA-N 1 2 215.281 2.697 20 0 BFADLO Cc1cc2c(cccc2-c2c[nH+]cn2C)[nH]1 ZINC001243068423 984487869 /nfs/dbraw/zinc/48/78/69/984487869.db2.gz WQKVAARFBZSOTM-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO C=Cc1ccc(F)cc1-c1c[nH+]cn1C ZINC001243068442 984489188 /nfs/dbraw/zinc/48/91/88/984489188.db2.gz XGGPYIVRTKOMNZ-UHFFFAOYSA-N 1 2 202.232 2.869 20 0 BFADLO CCOC(=O)c1ccc(-c2c[nH+]cn2C)cc1C ZINC001243069704 984492139 /nfs/dbraw/zinc/49/21/39/984492139.db2.gz WPYZZISPQYWLHF-UHFFFAOYSA-N 1 2 244.294 2.572 20 0 BFADLO Cc1cc2[nH]ccc2cc1-c1c[nH+]cn1C ZINC001243071393 984498224 /nfs/dbraw/zinc/49/82/24/984498224.db2.gz RAOWETOSLCYBPZ-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CCc1cc(-c2c[nH+]cn2C)ccc1F ZINC001243071165 984498988 /nfs/dbraw/zinc/49/89/88/984498988.db2.gz OJHCNZIDSQHNBA-UHFFFAOYSA-N 1 2 204.248 2.789 20 0 BFADLO C/C(Cl)=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001442671141 984503099 /nfs/dbraw/zinc/50/30/99/984503099.db2.gz WRTDCYMJRUUVJA-YVMONPNESA-N 1 2 249.701 2.724 20 0 BFADLO Cn1c[nH+]cc1-c1cc2ccoc2c(F)c1 ZINC001243072173 984504058 /nfs/dbraw/zinc/50/40/58/984504058.db2.gz KLQSJNTYAHXPCN-UHFFFAOYSA-N 1 2 216.215 2.972 20 0 BFADLO CCc1cc(-c2c[nH+]cn2C)ccc1OC ZINC001243073000 984507069 /nfs/dbraw/zinc/50/70/69/984507069.db2.gz WFXHMIOSRGTASC-UHFFFAOYSA-N 1 2 216.284 2.658 20 0 BFADLO CC(=O)Nc1ccc(-c2c[nH+]cn2C)c(C)c1C ZINC001243073119 984507362 /nfs/dbraw/zinc/50/73/62/984507362.db2.gz ZNWVCOLROBIZDX-UHFFFAOYSA-N 1 2 243.310 2.662 20 0 BFADLO Cc1cc(OC(C)C)ncc1-c1c[nH+]cn1C ZINC001243073117 984507873 /nfs/dbraw/zinc/50/78/73/984507873.db2.gz ZJGMSBSIVUTSTA-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO Cc1cc(NCCc2cnoc2)nc(C(C)C)[nH+]1 ZINC000719340857 984629264 /nfs/dbraw/zinc/62/92/64/984629264.db2.gz XXXDXJXLZYONCL-UHFFFAOYSA-N 1 2 246.314 2.551 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)ccc1CO ZINC001243189508 984664126 /nfs/dbraw/zinc/66/41/26/984664126.db2.gz UHIQYEWUZHGZIX-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(-c2ccc(OCOC)cc2)cc[nH+]1 ZINC001243209577 984694246 /nfs/dbraw/zinc/69/42/46/984694246.db2.gz HOYVJLJVQGSKEQ-UHFFFAOYSA-N 1 2 244.294 2.773 20 0 BFADLO COCOc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001243208090 984701325 /nfs/dbraw/zinc/70/13/25/984701325.db2.gz TYEOZONKEYRXLO-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1O ZINC001243227146 984737752 /nfs/dbraw/zinc/73/77/52/984737752.db2.gz SPGXRROPZYSSBG-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO CCC[C@H](CC)[N@@H+]1CCOCC(F)(F)C1 ZINC001257256557 984857884 /nfs/dbraw/zinc/85/78/84/984857884.db2.gz JBYSVIKTHVTGQR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@H](CC)[N@H+]1CCOCC(F)(F)C1 ZINC001257256557 984857887 /nfs/dbraw/zinc/85/78/87/984857887.db2.gz JBYSVIKTHVTGQR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cc[nH]c(=O)c2)cc1 ZINC001243428015 984923191 /nfs/dbraw/zinc/92/31/91/984923191.db2.gz SSRZRDXYWFEPND-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO CC(C)Oc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243473755 985021632 /nfs/dbraw/zinc/02/16/32/985021632.db2.gz ZGXHWZLZQYETAK-UHFFFAOYSA-N 1 2 229.283 2.513 20 0 BFADLO CC(C)(O)c1ccccc1-c1ccc[nH+]c1N ZINC001243473552 985023064 /nfs/dbraw/zinc/02/30/64/985023064.db2.gz WZTYCFJZCQPBPW-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO Cc1[nH]c2ncc(-c3ccc[nH+]c3N)cc2c1C ZINC001243473616 985023346 /nfs/dbraw/zinc/02/33/46/985023346.db2.gz NIVPXLKAKSQNQG-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO C[Si](C)(C)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243476111 985030781 /nfs/dbraw/zinc/03/07/81/985030781.db2.gz OMKARSWIBHXGEB-UHFFFAOYSA-N 1 2 242.398 2.876 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2nscc2c1 ZINC001243474799 985031897 /nfs/dbraw/zinc/03/18/97/985031897.db2.gz AGUOOTLNNIKBSW-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1[nH+]cccc1-c1cc2[nH]ccc2cc1F ZINC001243474756 985032600 /nfs/dbraw/zinc/03/26/00/985032600.db2.gz QWXOYTDAUASHPV-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CC(=O)Nc1ccc(-c2ccc[nH+]c2N)cc1C ZINC001243475133 985033059 /nfs/dbraw/zinc/03/30/59/985033059.db2.gz FBBFVHMFFDJCTJ-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO COCOc1ccc(C)cc1-c1ccc[nH+]c1N ZINC001243476452 985034220 /nfs/dbraw/zinc/03/42/20/985034220.db2.gz SFYZTGGSZGTVFE-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO C=COc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477383 985037829 /nfs/dbraw/zinc/03/78/29/985037829.db2.gz MGEPYQHNIGQZDD-UHFFFAOYSA-N 1 2 212.252 2.853 20 0 BFADLO CC(=O)n1ncc2ccc(/C(C)=C/C=C/[NH3+])cc21 ZINC001243479896 985041922 /nfs/dbraw/zinc/04/19/22/985041922.db2.gz OTAWKXGWJGPHAP-DROBUMMNSA-N 1 2 241.294 2.572 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(Cl)ccc1N ZINC001243484297 985047356 /nfs/dbraw/zinc/04/73/56/985047356.db2.gz JDLXPNFPMOWVBE-YALUOGEHSA-N 1 2 208.692 2.798 20 0 BFADLO Cc1cc(-c2cc(Cl)ccc2N)c[nH+]c1N ZINC001243486159 985048200 /nfs/dbraw/zinc/04/82/00/985048200.db2.gz QGJGRYNMZBLCFJ-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO Cc1ccc(-c2ccc(Cl)c(O)c2)[nH+]c1N ZINC001243578232 985132588 /nfs/dbraw/zinc/13/25/88/985132588.db2.gz FIEKIWKNYWJPAF-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001257508537 985138327 /nfs/dbraw/zinc/13/83/27/985138327.db2.gz HYKQQVRRKHJFME-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001257508537 985138335 /nfs/dbraw/zinc/13/83/35/985138335.db2.gz HYKQQVRRKHJFME-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001257514113 985141824 /nfs/dbraw/zinc/14/18/24/985141824.db2.gz AZGBUFCOYVRKGL-NSHDSACASA-N 1 2 221.348 2.705 20 0 BFADLO CCCCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001257514113 985141835 /nfs/dbraw/zinc/14/18/35/985141835.db2.gz AZGBUFCOYVRKGL-NSHDSACASA-N 1 2 221.348 2.705 20 0 BFADLO Cc1nocc1-c1cn2cc[nH+]c2cc1C ZINC001243677389 985178951 /nfs/dbraw/zinc/17/89/51/985178951.db2.gz BQHHQLKEBOAPFK-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccnc1C1CC1 ZINC001243688095 985210767 /nfs/dbraw/zinc/21/07/67/985210767.db2.gz BWAOVVSUVZZONM-SQARYYKLSA-N 1 2 200.285 2.835 20 0 BFADLO Nc1cc(-c2cccnc2C2CC2)cc[nH+]1 ZINC001243689831 985214408 /nfs/dbraw/zinc/21/44/08/985214408.db2.gz OSKCCXUKMVFGBG-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO Cc1cc(-c2c(Cl)cccc2CO)c[nH+]c1N ZINC001243712531 985242134 /nfs/dbraw/zinc/24/21/34/985242134.db2.gz MLOBLQCGOSXTGU-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO Cc1cc(F)ncc1-c1cc[nH+]c2c1CCN2 ZINC001243761803 985301789 /nfs/dbraw/zinc/30/17/89/985301789.db2.gz MWWTXCMRKQKSJB-UHFFFAOYSA-N 1 2 229.258 2.559 20 0 BFADLO CCc1cc(N[C@@H]2C=CCC2)nc(CC)[nH+]1 ZINC001458479898 985317152 /nfs/dbraw/zinc/31/71/52/985317152.db2.gz BLNAVSPAMGMXKS-LLVKDONJSA-N 1 2 217.316 2.732 20 0 BFADLO CCNc1ccc(Nc2nccs2)c[nH+]1 ZINC001458724712 985346663 /nfs/dbraw/zinc/34/66/63/985346663.db2.gz IIHMTWVSGMQZGY-UHFFFAOYSA-N 1 2 220.301 2.714 20 0 BFADLO CCOC(=O)C1([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC001258076940 985382561 /nfs/dbraw/zinc/38/25/61/985382561.db2.gz TWFCRZOBEGNDPN-GFCCVEGCSA-N 1 2 239.359 2.807 20 0 BFADLO CO[C@@H]1CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001243808111 985389077 /nfs/dbraw/zinc/38/90/77/985389077.db2.gz OZQKVYAKZPIMHW-GFCCVEGCSA-N 1 2 228.295 2.917 20 0 BFADLO CO[C@H]1CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001243810906 985398396 /nfs/dbraw/zinc/39/83/96/985398396.db2.gz VYSAJLMURHSZHM-ZDUSSCGKSA-N 1 2 228.295 2.917 20 0 BFADLO CCc1cn(C[C@H](CC(C)C)OC)c[nH+]1 ZINC001459264442 985425181 /nfs/dbraw/zinc/42/51/81/985425181.db2.gz VRPKHUPWVZHYKF-LBPRGKRZSA-N 1 2 210.321 2.507 20 0 BFADLO CCCCc1cc(C2=C[NH2+]CCC2)ncn1 ZINC001243949090 985636257 /nfs/dbraw/zinc/63/62/57/985636257.db2.gz IJERDEUQRVWCFN-UHFFFAOYSA-N 1 2 217.316 2.544 20 0 BFADLO CC1(C)CCC[C@@H]([N@@H+]2CCC(=O)[C@@H](F)C2)C1 ZINC001258287789 985795718 /nfs/dbraw/zinc/79/57/18/985795718.db2.gz DAPYTYPTRQTOHP-MNOVXSKESA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC[C@@H]([N@H+]2CCC(=O)[C@@H](F)C2)C1 ZINC001258287789 985795745 /nfs/dbraw/zinc/79/57/45/985795745.db2.gz DAPYTYPTRQTOHP-MNOVXSKESA-N 1 2 227.323 2.568 20 0 BFADLO Oc1c(F)cc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001244096742 985807943 /nfs/dbraw/zinc/80/79/43/985807943.db2.gz MQAALNTYCAWBPQ-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CO[C@H]1CC=C(Nc2cccc(C)[nH+]2)CC1 ZINC001212872084 985815652 /nfs/dbraw/zinc/81/56/52/985815652.db2.gz LRUJQHQLUJYJAW-LBPRGKRZSA-N 1 2 218.300 2.885 20 0 BFADLO CO[C@H]1CC=C(Nc2[nH+]c(C)ccc2O)CC1 ZINC001212873794 985826566 /nfs/dbraw/zinc/82/65/66/985826566.db2.gz VCTGFSKPXKRTLT-NSHDSACASA-N 1 2 234.299 2.590 20 0 BFADLO CNc1cc(-c2cnc(C)cc2C)cc[nH+]1 ZINC001244147723 985854244 /nfs/dbraw/zinc/85/42/44/985854244.db2.gz XAFDZOYKUJVEOU-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CO[C@@H]1CC=C(Nc2ccn3cc[nH+]c3c2)CC1 ZINC001212879008 985857528 /nfs/dbraw/zinc/85/75/28/985857528.db2.gz ZUYKVQRZJAVNAF-CYBMUJFWSA-N 1 2 243.310 2.829 20 0 BFADLO Nc1cc(Cl)ccc1-c1ccc[nH+]c1N ZINC001244199748 985887726 /nfs/dbraw/zinc/88/77/26/985887726.db2.gz CILUCPBVFGMKRE-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO CCc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1N ZINC001244279017 985912749 /nfs/dbraw/zinc/91/27/49/985912749.db2.gz HUIWXFACPXPMNO-UHFFFAOYSA-N 1 2 238.294 2.721 20 0 BFADLO CCn1cc(Nc2c[nH+]c(C)cc2C)ccc1=O ZINC001212908747 985913326 /nfs/dbraw/zinc/91/33/26/985913326.db2.gz CZCRETHNHJNNPC-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO [NH3+]CCOc1cccc(-c2ccc(S)cc2)c1 ZINC001244322511 985947161 /nfs/dbraw/zinc/94/71/61/985947161.db2.gz RPKAJHJQGLDYNF-UHFFFAOYSA-N 1 2 245.347 2.980 20 0 BFADLO [NH3+]CCOc1cccc(-c2cccc(S)c2)c1 ZINC001244322352 985951715 /nfs/dbraw/zinc/95/17/15/985951715.db2.gz OMEGMUMUVVWHSA-UHFFFAOYSA-N 1 2 245.347 2.980 20 0 BFADLO Cc1cc(N)ccc1-c1ccc2[nH+]ccn2c1 ZINC001244366901 985997951 /nfs/dbraw/zinc/99/79/51/985997951.db2.gz CGANSBSXUBUDLZ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1ccc(O)c(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001244405954 986077440 /nfs/dbraw/zinc/07/74/40/986077440.db2.gz AIPLALLGBLXIFK-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(Cl)cc1O ZINC001244469395 986143184 /nfs/dbraw/zinc/14/31/84/986143184.db2.gz GGYPZJXXYYQLPS-YALUOGEHSA-N 1 2 209.676 2.921 20 0 BFADLO Cc1ccc(-c2cccn3cc[nH+]c23)c(CO)c1 ZINC001244486341 986184973 /nfs/dbraw/zinc/18/49/73/986184973.db2.gz JOEGXDHMBVTXAC-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1ccc(-c2cccc3[nH+]ccn32)c(CO)c1 ZINC001244489976 986195156 /nfs/dbraw/zinc/19/51/56/986195156.db2.gz WOEZJORJDGVYCS-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cc(C)c(/C=C/C[NH+]2CCOCC2)c(C)c1 ZINC001461847480 986204298 /nfs/dbraw/zinc/20/42/98/986204298.db2.gz XGAADNUXSORGJR-SNAWJCMRSA-N 1 2 245.366 2.957 20 0 BFADLO OCc1c(F)cccc1-c1cc2[nH]ccc2c[nH+]1 ZINC001244559463 986245948 /nfs/dbraw/zinc/24/59/48/986245948.db2.gz LTISIOLVGIQKKH-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO Cc1cc(Cl)c(N)c(-c2cc[nH+]c(N)c2)c1 ZINC001244564422 986253978 /nfs/dbraw/zinc/25/39/78/986253978.db2.gz JCDUKNHAMXAXNN-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(Cl)c1CO ZINC001244573659 986259386 /nfs/dbraw/zinc/25/93/86/986259386.db2.gz HGIGOINKPZLOQA-DDEWIXKASA-N 1 2 223.703 2.708 20 0 BFADLO CNc1cc(-c2ccc(CO)cc2C)cc[nH+]1 ZINC001244584087 986268705 /nfs/dbraw/zinc/26/87/05/986268705.db2.gz RJWHNYGOEMIEHZ-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO COC1C[NH+](C/C=C\c2c(C)cc(C)cc2C)C1 ZINC001462315647 986350217 /nfs/dbraw/zinc/35/02/17/986350217.db2.gz LZUONEQXZFPFGU-WAYWQWQTSA-N 1 2 245.366 2.956 20 0 BFADLO OCc1ccc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001244909762 986443680 /nfs/dbraw/zinc/44/36/80/986443680.db2.gz XMSHOXOUGKYVJS-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO CCOc1cc(-c2cc[nH+]c(NC)c2)ccn1 ZINC001244976021 986562023 /nfs/dbraw/zinc/56/20/23/986562023.db2.gz OUTMDEXBYGYAKV-UHFFFAOYSA-N 1 2 229.283 2.584 20 0 BFADLO COc1c(O)cccc1-c1ccc2[nH+]ccn2c1 ZINC001244989339 986589426 /nfs/dbraw/zinc/58/94/26/986589426.db2.gz XDHQIJLUYFBTDG-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(Cl)c1N ZINC001245178702 986716547 /nfs/dbraw/zinc/71/65/47/986716547.db2.gz OINQWKNJVYBNER-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3C[C@@H](F)C[C@H]3C)n2c1 ZINC001137304593 986736796 /nfs/dbraw/zinc/73/67/96/986736796.db2.gz ASYSMLQKVPHWGQ-NEPJUHHUSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3C[C@@H](F)C[C@H]3C)n2c1 ZINC001137304593 986736803 /nfs/dbraw/zinc/73/68/03/986736803.db2.gz ASYSMLQKVPHWGQ-NEPJUHHUSA-N 1 2 247.317 2.575 20 0 BFADLO CCCCOC1C[NH+](Cc2[nH]c(C)cc2C)C1 ZINC001137327986 986780001 /nfs/dbraw/zinc/78/00/01/986780001.db2.gz NXZFGUGPZXDRNS-UHFFFAOYSA-N 1 2 236.359 2.632 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1c[nH]c2ccc(F)cc12 ZINC001137333659 986799586 /nfs/dbraw/zinc/79/95/86/986799586.db2.gz OIEOSFDDZXUVQD-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1c[nH]c2ccc(F)cc12 ZINC001137333659 986799598 /nfs/dbraw/zinc/79/95/98/986799598.db2.gz OIEOSFDDZXUVQD-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO Cc1cc(-c2cn(C)c3cnccc23)c[nH+]c1N ZINC001245489789 986866449 /nfs/dbraw/zinc/86/64/49/986866449.db2.gz OQMSNYBBMWJIRS-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc2cc[nH]c2c(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245535334 986909467 /nfs/dbraw/zinc/90/94/67/986909467.db2.gz IUNHEHKNLORLRT-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2cc3cc[nH]c3cn2)c[nH+]c1N ZINC001245535379 986910380 /nfs/dbraw/zinc/91/03/80/986910380.db2.gz ZMTZFGPSUSZJMH-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(-c2cccc3nccnc32)c[nH+]c1N ZINC001245535927 986912997 /nfs/dbraw/zinc/91/29/97/986912997.db2.gz DTDVXLPTSQSWIO-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)nc(C2CC2)n1 ZINC001245537896 986919678 /nfs/dbraw/zinc/91/96/78/986919678.db2.gz LLBONRLDTSFJFP-UHFFFAOYSA-N 1 2 240.310 2.615 20 0 BFADLO Cc1cc(-c2ccc3c(c2)COCC3)c[nH+]c1N ZINC001245538306 986920500 /nfs/dbraw/zinc/92/05/00/986920500.db2.gz AYYVYFKRJPTEIE-UHFFFAOYSA-N 1 2 240.306 2.712 20 0 BFADLO CCc1ccncc1-c1c[nH+]c(N)c(C)c1 ZINC001245539563 986925265 /nfs/dbraw/zinc/92/52/65/986925265.db2.gz NTBOPCHHMGUJBU-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO COc1cccc(C)c1-c1c[nH+]c(N)c(C)c1 ZINC001245540019 986925355 /nfs/dbraw/zinc/92/53/55/986925355.db2.gz LAAOWCSSPHKQNA-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1cc(-c2cncc3[nH]ccc32)c[nH+]c1N ZINC001245539717 986925682 /nfs/dbraw/zinc/92/56/82/986925682.db2.gz XNDVSBGKGQZCME-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(-c2cc(F)c(N)cc2C)c[nH+]c1N ZINC001245540066 986926807 /nfs/dbraw/zinc/92/68/07/986926807.db2.gz MTPZIUOPVLLINQ-UHFFFAOYSA-N 1 2 231.274 2.669 20 0 BFADLO Cc1cc(-c2cnc3c(c2)CN=N3)c[nH+]c1N ZINC001245540359 986927773 /nfs/dbraw/zinc/92/77/73/986927773.db2.gz QBQRAXKLTVLXJB-UHFFFAOYSA-N 1 2 225.255 2.632 20 0 BFADLO CNc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245540490 986928343 /nfs/dbraw/zinc/92/83/43/986928343.db2.gz UQFFUKVELAMMLM-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO Cc1cc(-c2cc(F)ccc2N(C)C)c[nH+]c1N ZINC001245541229 986930244 /nfs/dbraw/zinc/93/02/44/986930244.db2.gz OFIGFAPBORUSIH-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC(=O)C[C@H]1C ZINC001255842089 987073195 /nfs/dbraw/zinc/07/31/95/987073195.db2.gz NYNCDOKCFWMKNU-NWDGAFQWSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC(=O)C[C@H]1C ZINC001255842089 987073209 /nfs/dbraw/zinc/07/32/09/987073209.db2.gz NYNCDOKCFWMKNU-NWDGAFQWSA-N 1 2 249.329 2.810 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)C[C@H](C)C2CC2)[nH+]1 ZINC001472095095 987172910 /nfs/dbraw/zinc/17/29/10/987172910.db2.gz SGHMIGVWZWKGFM-JTQLQIEISA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)C[C@H](C)C2CC2)c[nH+]1 ZINC001472095095 987172918 /nfs/dbraw/zinc/17/29/18/987172918.db2.gz SGHMIGVWZWKGFM-JTQLQIEISA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@@]2(C)C=CCC2)[nH+]1 ZINC001472093935 987175634 /nfs/dbraw/zinc/17/56/34/987175634.db2.gz BREQGPQVYMEKRY-AWEZNQCLSA-N 1 2 247.342 2.506 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@@]2(C)C=CCC2)c[nH+]1 ZINC001472093935 987175650 /nfs/dbraw/zinc/17/56/50/987175650.db2.gz BREQGPQVYMEKRY-AWEZNQCLSA-N 1 2 247.342 2.506 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]2CC)nc(CC)[nH+]1 ZINC001472770324 987279219 /nfs/dbraw/zinc/27/92/19/987279219.db2.gz IOPLUYHLAMWXRC-MWLCHTKSSA-N 1 2 219.332 2.812 20 0 BFADLO Cc1cc([C@H]2CCCC[N@@H+]2C/C=C/Cl)[nH]n1 ZINC001473829549 987573364 /nfs/dbraw/zinc/57/33/64/987573364.db2.gz WWSLLLVBESZRDM-FVOPLDGLSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1cc([C@H]2CCCC[N@H+]2C/C=C/Cl)[nH]n1 ZINC001473829549 987573368 /nfs/dbraw/zinc/57/33/68/987573368.db2.gz WWSLLLVBESZRDM-FVOPLDGLSA-N 1 2 239.750 2.998 20 0 BFADLO CCCC(CCC)[NH2+][C@H]1CNCC(F)(F)C1 ZINC001246219923 987616348 /nfs/dbraw/zinc/61/63/48/987616348.db2.gz APLZKPQFMQBXJL-LLVKDONJSA-N 1 2 234.334 2.542 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246218204 987617313 /nfs/dbraw/zinc/61/73/13/987617313.db2.gz PGLXRPSKDMLOJS-DGAVXFQQSA-N 1 2 244.398 2.881 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246218204 987617317 /nfs/dbraw/zinc/61/73/17/987617317.db2.gz PGLXRPSKDMLOJS-DGAVXFQQSA-N 1 2 244.398 2.881 20 0 BFADLO C[C@@H](C(=O)N[C@@H]1CCCC(C)(C)C1)n1cc[nH+]c1 ZINC001116735375 987685332 /nfs/dbraw/zinc/68/53/32/987685332.db2.gz VYJWYSAEYQQSAG-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO COc1nsc(C[N@@H+]2C[C@H](C)[C@H]2C)c1Cl ZINC001474551122 987755765 /nfs/dbraw/zinc/75/57/65/987755765.db2.gz VPSGRIPYFRMEOV-NKWVEPMBSA-N 1 2 246.763 2.645 20 0 BFADLO COc1nsc(C[N@H+]2C[C@H](C)[C@H]2C)c1Cl ZINC001474551122 987755766 /nfs/dbraw/zinc/75/57/66/987755766.db2.gz VPSGRIPYFRMEOV-NKWVEPMBSA-N 1 2 246.763 2.645 20 0 BFADLO CC(C)(F)C[NH2+]Cc1c(Cl)ccnc1F ZINC001474659547 987794333 /nfs/dbraw/zinc/79/43/33/987794333.db2.gz KVCHHNUQOIIRSW-UHFFFAOYSA-N 1 2 234.677 2.712 20 0 BFADLO Fc1ccc(CC[NH2+]C2(C(F)F)CC2)c(F)c1 ZINC001322651807 988357392 /nfs/dbraw/zinc/35/73/92/988357392.db2.gz FDMRNPKXMZMMDA-UHFFFAOYSA-N 1 2 247.235 2.895 20 0 BFADLO C[NH+](C)Cc1nnc(/C=C/C2CCCCC2)o1 ZINC001322983986 988424207 /nfs/dbraw/zinc/42/42/07/988424207.db2.gz RTIZCAYLFFKXPX-CMDGGOBGSA-N 1 2 235.331 2.725 20 0 BFADLO CN[C@H]1CC[N@@H+]1[C@H](Cc1ccccc1)CC(C)C ZINC001246901241 988674768 /nfs/dbraw/zinc/67/47/68/988674768.db2.gz WMRWHOIAFSVJCG-JKSUJKDBSA-N 1 2 246.398 2.895 20 0 BFADLO CN[C@H]1CC[N@H+]1[C@H](Cc1ccccc1)CC(C)C ZINC001246901241 988674773 /nfs/dbraw/zinc/67/47/73/988674773.db2.gz WMRWHOIAFSVJCG-JKSUJKDBSA-N 1 2 246.398 2.895 20 0 BFADLO CCOC(=O)C1([NH2+][C@H]2C=CCCC2)CCCC1 ZINC001324284872 988781404 /nfs/dbraw/zinc/78/14/04/988781404.db2.gz HAZYDGBOGXHKTR-LBPRGKRZSA-N 1 2 237.343 2.561 20 0 BFADLO CC(C)(C)c1ccc2[nH]c(CCCO)[nH+]c2c1 ZINC001247006663 988836001 /nfs/dbraw/zinc/83/60/01/988836001.db2.gz AJHNFHQSCHEHMC-UHFFFAOYSA-N 1 2 232.327 2.785 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1CC2CCC1CC2 ZINC001324721849 988948487 /nfs/dbraw/zinc/94/84/87/988948487.db2.gz UOATUTJORZXXBQ-UHFFFAOYSA-N 1 2 249.383 2.790 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1CC2CCC1CC2 ZINC001324721849 988948498 /nfs/dbraw/zinc/94/84/98/988948498.db2.gz UOATUTJORZXXBQ-UHFFFAOYSA-N 1 2 249.383 2.790 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccn1C1CC1 ZINC001325126949 989093468 /nfs/dbraw/zinc/09/34/68/989093468.db2.gz CQZOXFZVHNIAQN-UHFFFAOYSA-N 1 2 214.259 2.568 20 0 BFADLO CCc1ccc(N2CCCO[C@H](C(C)C)C2)[nH+]c1 ZINC001515784684 989115871 /nfs/dbraw/zinc/11/58/71/989115871.db2.gz GJOKDHLZXVKYLU-AWEZNQCLSA-N 1 2 248.370 2.895 20 0 BFADLO FC(F)(F)C1C[NH+](Cc2cccn2C2CC2)C1 ZINC001119512106 989117993 /nfs/dbraw/zinc/11/79/93/989117993.db2.gz LOAGQNQWVMJOTC-UHFFFAOYSA-N 1 2 244.260 2.817 20 0 BFADLO CCc1ccc(N2CC[C@@H](O)CC(C)(C)C2)[nH+]c1 ZINC001515805154 989119807 /nfs/dbraw/zinc/11/98/07/989119807.db2.gz QLQSTIVRVCSAEN-CYBMUJFWSA-N 1 2 248.370 2.631 20 0 BFADLO C[N@H+](CCF)Cc1c2ccoc2ccc1F ZINC001248545972 989120247 /nfs/dbraw/zinc/12/02/47/989120247.db2.gz WZPDOGFFXISHSO-UHFFFAOYSA-N 1 2 225.238 2.973 20 0 BFADLO C[N@@H+](CCF)Cc1c2ccoc2ccc1F ZINC001248545972 989120252 /nfs/dbraw/zinc/12/02/52/989120252.db2.gz WZPDOGFFXISHSO-UHFFFAOYSA-N 1 2 225.238 2.973 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC001249476785 989287271 /nfs/dbraw/zinc/28/72/71/989287271.db2.gz GELSPVNAPWDAEF-NSHDSACASA-N 1 2 224.323 2.856 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@H](F)C2)c1 ZINC001249476785 989287278 /nfs/dbraw/zinc/28/72/78/989287278.db2.gz GELSPVNAPWDAEF-NSHDSACASA-N 1 2 224.323 2.856 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+](C2CC2)C2COC2)c1 ZINC001249479404 989296390 /nfs/dbraw/zinc/29/63/90/989296390.db2.gz BEIHDPBOGYLDGR-UHFFFAOYSA-N 1 2 248.370 2.675 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+](C2CC2)C2COC2)c1 ZINC001249479404 989296402 /nfs/dbraw/zinc/29/64/02/989296402.db2.gz BEIHDPBOGYLDGR-UHFFFAOYSA-N 1 2 248.370 2.675 20 0 BFADLO Cc1ncsc1CSCCn1cc[nH+]c1 ZINC001325951303 989316193 /nfs/dbraw/zinc/31/61/93/989316193.db2.gz IFYZLXKUGFHECP-UHFFFAOYSA-N 1 2 239.369 2.581 20 0 BFADLO CC(C)=C[C@@H]1[C@H](c2nnc(C[NH+](C)C)o2)C1(C)C ZINC001326292075 989470091 /nfs/dbraw/zinc/47/00/91/989470091.db2.gz FQOMPHVQTYEQLQ-ZYHUDNBSSA-N 1 2 249.358 2.837 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C1\CC[C@@H](C)C1 ZINC001520441979 989561517 /nfs/dbraw/zinc/56/15/17/989561517.db2.gz MOTNYVRBAYNKAJ-LAPSENCUSA-N 1 2 248.326 2.693 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C1/CC[C@@H](C)C1 ZINC001520441977 989561689 /nfs/dbraw/zinc/56/16/89/989561689.db2.gz MOTNYVRBAYNKAJ-HBZGRHIISA-N 1 2 248.326 2.693 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2)C[C@@H]1F ZINC001120038845 989569885 /nfs/dbraw/zinc/56/98/85/989569885.db2.gz ZGBQZXBOXBUOMH-CABZTGNLSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2)C[C@@H]1F ZINC001120038845 989569888 /nfs/dbraw/zinc/56/98/88/989569888.db2.gz ZGBQZXBOXBUOMH-CABZTGNLSA-N 1 2 241.281 2.711 20 0 BFADLO CCc1ccc(N2CCC[C@@H](OC)CC2)[nH+]c1 ZINC001120920550 989965113 /nfs/dbraw/zinc/96/51/13/989965113.db2.gz HCFCUFSSTPHGIJ-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO CSC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001120951504 989983322 /nfs/dbraw/zinc/98/33/22/989983322.db2.gz QSONWPZKPGUHFS-UHFFFAOYSA-N 1 2 240.347 2.861 20 0 BFADLO CCc1ccc(N2C[C@@H]3CSC[C@]3(C)C2)[nH+]c1 ZINC001120966544 989988705 /nfs/dbraw/zinc/98/87/05/989988705.db2.gz XSKDYVCPCRBWOB-OCCSQVGLSA-N 1 2 248.395 2.833 20 0 BFADLO Cc1cc(NCCC(F)F)nc(C2CC2)[nH+]1 ZINC001121008432 990000526 /nfs/dbraw/zinc/00/05/26/990000526.db2.gz MTAXEODDDIXXEP-UHFFFAOYSA-N 1 2 227.258 2.730 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@H](C)CC(C)C ZINC001527012599 990198200 /nfs/dbraw/zinc/19/82/00/990198200.db2.gz VQTAMDXXJHQJOT-LLVKDONJSA-N 1 2 238.331 2.628 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001537534823 990504759 /nfs/dbraw/zinc/50/47/59/990504759.db2.gz GIONUSOFCBVOFI-GXTWGEPZSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1F ZINC001137673492 990837754 /nfs/dbraw/zinc/83/77/54/990837754.db2.gz FYURHZWAMKEOKA-NSHDSACASA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c1F ZINC001137673492 990837756 /nfs/dbraw/zinc/83/77/56/990837756.db2.gz FYURHZWAMKEOKA-NSHDSACASA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(C[N@@H+]2CCCCC23COC3)c1F ZINC001137677187 990840020 /nfs/dbraw/zinc/84/00/20/990840020.db2.gz DRHOJNHHRAQHML-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1cccc(C[N@H+]2CCCCC23COC3)c1F ZINC001137677187 990840025 /nfs/dbraw/zinc/84/00/25/990840025.db2.gz DRHOJNHHRAQHML-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO C[N@H+](CCF)Cc1cccc(OC(C)(C)C)n1 ZINC001138286168 990904833 /nfs/dbraw/zinc/90/48/33/990904833.db2.gz JXKUSRBZHMPCIK-UHFFFAOYSA-N 1 2 240.322 2.660 20 0 BFADLO C[N@@H+](CCF)Cc1cccc(OC(C)(C)C)n1 ZINC001138286168 990904841 /nfs/dbraw/zinc/90/48/41/990904841.db2.gz JXKUSRBZHMPCIK-UHFFFAOYSA-N 1 2 240.322 2.660 20 0 BFADLO CC[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558351420 990941521 /nfs/dbraw/zinc/94/15/21/990941521.db2.gz KMVQTWMTNJXSMM-SKDRFNHKSA-N 1 2 249.358 2.736 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)CCC2CCC2)[nH+]1 ZINC001558560559 990967861 /nfs/dbraw/zinc/96/78/61/990967861.db2.gz HYJHVALNKIJPDT-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)CCC2CCC2)c[nH+]1 ZINC001558560559 990967871 /nfs/dbraw/zinc/96/78/71/990967871.db2.gz HYJHVALNKIJPDT-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO Cc1cc(CNc2[nH]c3ccc(C)cc3[nH+]2)[nH]n1 ZINC001308501361 991011357 /nfs/dbraw/zinc/01/13/57/991011357.db2.gz MMSGZWHPMVQDDW-UHFFFAOYSA-N 1 2 241.298 2.515 20 0 BFADLO CCc1cc(N2C[C@@H](C)[C@H](C)C2)nc(CC)[nH+]1 ZINC001559115831 991034247 /nfs/dbraw/zinc/03/42/47/991034247.db2.gz IEMUNWYTMPIUOQ-GHMZBOCLSA-N 1 2 233.359 2.694 20 0 BFADLO CC[N@H+](Cc1ccncc1)Cc1cccnc1F ZINC001138783645 991044106 /nfs/dbraw/zinc/04/41/06/991044106.db2.gz BILKZCPXRWUOHC-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccncc1)Cc1cccnc1F ZINC001138783645 991044116 /nfs/dbraw/zinc/04/41/16/991044116.db2.gz BILKZCPXRWUOHC-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Fc1ncccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001138787120 991052975 /nfs/dbraw/zinc/05/29/75/991052975.db2.gz CJZOBXDICCAPCL-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1ncccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001138787120 991052988 /nfs/dbraw/zinc/05/29/88/991052988.db2.gz CJZOBXDICCAPCL-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO c1cc2cccc(C[NH+]3Cc4ccccc4C3)n2n1 ZINC001138804398 991065344 /nfs/dbraw/zinc/06/53/44/991065344.db2.gz IGEAAFCRUDQPBM-UHFFFAOYSA-N 1 2 249.317 2.850 20 0 BFADLO CC(C)C1(C[N@@H+]2CCC(F)(F)C2)CC1 ZINC001308645386 991075132 /nfs/dbraw/zinc/07/51/32/991075132.db2.gz ZKHSRNVANPYNND-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO CC(C)C1(C[N@H+]2CCC(F)(F)C2)CC1 ZINC001308645386 991075141 /nfs/dbraw/zinc/07/51/41/991075141.db2.gz ZKHSRNVANPYNND-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO Fc1cnc(Cl)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001138891816 991093602 /nfs/dbraw/zinc/09/36/02/991093602.db2.gz FRVUEDPPUDVUFQ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cnc(Cl)c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001138891816 991093614 /nfs/dbraw/zinc/09/36/14/991093614.db2.gz FRVUEDPPUDVUFQ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO CC[N@H+](Cc1nc(C)c[nH]1)Cc1ccc(F)cc1 ZINC001138939962 991109397 /nfs/dbraw/zinc/10/93/97/991109397.db2.gz XKZXESVAYGFXKQ-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccc(F)cc1 ZINC001138939962 991109405 /nfs/dbraw/zinc/10/94/05/991109405.db2.gz XKZXESVAYGFXKQ-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CCc1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC001559465826 991110733 /nfs/dbraw/zinc/11/07/33/991110733.db2.gz BURCUMJRCBWNBJ-GRYCIOLGSA-N 1 2 204.317 2.882 20 0 BFADLO CCc1cn(CCOc2ccc(C)cc2)c[nH+]1 ZINC001559466638 991114090 /nfs/dbraw/zinc/11/40/90/991114090.db2.gz ZQEXOJDKAAGZMR-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO CCc1cn(Cc2ccc(Cl)nc2)c[nH+]1 ZINC001559466168 991114546 /nfs/dbraw/zinc/11/45/46/991114546.db2.gz NGVOALIMILYRSV-UHFFFAOYSA-N 1 2 221.691 2.542 20 0 BFADLO CCC[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001559491341 991122506 /nfs/dbraw/zinc/12/25/06/991122506.db2.gz FVDKZKCUYBRMRR-NSHDSACASA-N 1 2 235.331 2.884 20 0 BFADLO CCC[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC001559491341 991122511 /nfs/dbraw/zinc/12/25/11/991122511.db2.gz FVDKZKCUYBRMRR-NSHDSACASA-N 1 2 235.331 2.884 20 0 BFADLO CCCOc1ccccc1C[N@H+](C)C1(C)COC1 ZINC001139001564 991124265 /nfs/dbraw/zinc/12/42/65/991124265.db2.gz GQRGADYTIDBWQF-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@@H+](C)C1(C)COC1 ZINC001139001564 991124271 /nfs/dbraw/zinc/12/42/71/991124271.db2.gz GQRGADYTIDBWQF-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1c(Cl)ccnc1Cl ZINC001308789347 991134639 /nfs/dbraw/zinc/13/46/39/991134639.db2.gz YGPIKGIFUFZCPD-LURJTMIESA-N 1 2 237.105 2.836 20 0 BFADLO CO[C@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139062125 991135616 /nfs/dbraw/zinc/13/56/16/991135616.db2.gz QJQCGDSFLWIVSU-JSGCOSHPSA-N 1 2 249.285 2.602 20 0 BFADLO CO[C@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139062125 991135620 /nfs/dbraw/zinc/13/56/20/991135620.db2.gz QJQCGDSFLWIVSU-JSGCOSHPSA-N 1 2 249.285 2.602 20 0 BFADLO C[C@@H]1CCCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC001202892132 991136633 /nfs/dbraw/zinc/13/66/33/991136633.db2.gz IGYUGFAXVGRQEF-YPMHNXCESA-N 1 2 234.343 2.812 20 0 BFADLO CC(C)(F)C[NH2+]Cc1ccc(O)c(F)c1F ZINC001308893859 991205065 /nfs/dbraw/zinc/20/50/65/991205065.db2.gz GROQMPXUMQRNKO-UHFFFAOYSA-N 1 2 233.233 2.508 20 0 BFADLO C[N@H+](Cc1cc(Cl)cnc1Cl)C1CC1 ZINC001139354325 991230884 /nfs/dbraw/zinc/23/08/84/991230884.db2.gz PHVOBVGSSKFUMI-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1cc(Cl)cnc1Cl)C1CC1 ZINC001139354325 991230888 /nfs/dbraw/zinc/23/08/88/991230888.db2.gz PHVOBVGSSKFUMI-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO CSC(C)(C)C[C@@H](C)[NH+]1CC(C)(F)C1 ZINC001258334712 991260646 /nfs/dbraw/zinc/26/06/46/991260646.db2.gz GXZCTPFWKVIJIC-SECBINFHSA-N 1 2 219.369 2.950 20 0 BFADLO Cc1cc(O)cc(C)c1C[N@H+](C)Cc1ccon1 ZINC001139714829 991340077 /nfs/dbraw/zinc/34/00/77/991340077.db2.gz MZHWBCDBXQTMOU-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1cc(O)cc(C)c1C[N@@H+](C)Cc1ccon1 ZINC001139714829 991340082 /nfs/dbraw/zinc/34/00/82/991340082.db2.gz MZHWBCDBXQTMOU-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001139929072 991424389 /nfs/dbraw/zinc/42/43/89/991424389.db2.gz MDWSTHPMOGAHAL-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)cn1 ZINC001139929072 991424396 /nfs/dbraw/zinc/42/43/96/991424396.db2.gz MDWSTHPMOGAHAL-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1nccs1 ZINC001560221383 991425383 /nfs/dbraw/zinc/42/53/83/991425383.db2.gz UOUNCYCQGYCHGI-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CC[N@H+](C)Cc1sc(Cl)nc1Cl ZINC001139953347 991431120 /nfs/dbraw/zinc/43/11/20/991431120.db2.gz MIEHMJMXGRFAMC-UHFFFAOYSA-N 1 2 225.144 2.902 20 0 BFADLO CC[N@@H+](C)Cc1sc(Cl)nc1Cl ZINC001139953347 991431129 /nfs/dbraw/zinc/43/11/29/991431129.db2.gz MIEHMJMXGRFAMC-UHFFFAOYSA-N 1 2 225.144 2.902 20 0 BFADLO CCCC1CCC([NH2+]C2(C(=O)OC)CC2)CC1 ZINC001258527925 991474707 /nfs/dbraw/zinc/47/47/07/991474707.db2.gz YVLQDCNEQYLSTE-UHFFFAOYSA-N 1 2 239.359 2.641 20 0 BFADLO CC[N@H+](Cc1n[nH]c2ccc(OC)cc21)C1CC1 ZINC001140066500 991512791 /nfs/dbraw/zinc/51/27/91/991512791.db2.gz VDRGDJLWINTBOY-UHFFFAOYSA-N 1 2 245.326 2.556 20 0 BFADLO CC[N@@H+](Cc1n[nH]c2ccc(OC)cc21)C1CC1 ZINC001140066500 991512804 /nfs/dbraw/zinc/51/28/04/991512804.db2.gz VDRGDJLWINTBOY-UHFFFAOYSA-N 1 2 245.326 2.556 20 0 BFADLO Cc1cc(C[NH+]2CC(OCC(C)C)C2)cs1 ZINC001560710937 991567746 /nfs/dbraw/zinc/56/77/46/991567746.db2.gz ZCPJPNDIZGUOBX-UHFFFAOYSA-N 1 2 239.384 2.913 20 0 BFADLO CCC[C@H](Cc1ccccc1)[N@@H+]1CCC(=O)C1 ZINC001258658705 991591178 /nfs/dbraw/zinc/59/11/78/991591178.db2.gz KGNJITLJSFFFQU-CQSZACIVSA-N 1 2 231.339 2.673 20 0 BFADLO CCC[C@H](Cc1ccccc1)[N@H+]1CCC(=O)C1 ZINC001258658705 991591186 /nfs/dbraw/zinc/59/11/86/991591186.db2.gz KGNJITLJSFFFQU-CQSZACIVSA-N 1 2 231.339 2.673 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC001560830845 991613571 /nfs/dbraw/zinc/61/35/71/991613571.db2.gz AHMBVILFOSAKBY-NWDGAFQWSA-N 1 2 244.342 2.710 20 0 BFADLO CCCCC[C@@H](CCC)[N@@H+]1CCOC(=O)C1 ZINC001258674448 991617043 /nfs/dbraw/zinc/61/70/43/991617043.db2.gz XIOFGGODZQJEDE-GFCCVEGCSA-N 1 2 227.348 2.594 20 0 BFADLO CCCCC[C@@H](CCC)[N@H+]1CCOC(=O)C1 ZINC001258674448 991617045 /nfs/dbraw/zinc/61/70/45/991617045.db2.gz XIOFGGODZQJEDE-GFCCVEGCSA-N 1 2 227.348 2.594 20 0 BFADLO CSCC[N@@H+](C)Cc1c(F)cc(F)cc1F ZINC001140536720 991662131 /nfs/dbraw/zinc/66/21/31/991662131.db2.gz VCTULAIHBQRHIV-UHFFFAOYSA-N 1 2 249.301 2.899 20 0 BFADLO CSCC[N@H+](C)Cc1c(F)cc(F)cc1F ZINC001140536720 991662128 /nfs/dbraw/zinc/66/21/28/991662128.db2.gz VCTULAIHBQRHIV-UHFFFAOYSA-N 1 2 249.301 2.899 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001262364649 992861186 /nfs/dbraw/zinc/86/11/86/992861186.db2.gz DPQQHHRKVZWSDG-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC001262364649 992861188 /nfs/dbraw/zinc/86/11/88/992861188.db2.gz DPQQHHRKVZWSDG-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cccnc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC001262711918 993052870 /nfs/dbraw/zinc/05/28/70/993052870.db2.gz NFDSYEGEMYMIJK-SNVBAGLBSA-N 1 2 228.299 2.662 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1CN1CCCC[NH2+]1 ZINC001577250548 993555994 /nfs/dbraw/zinc/55/59/94/993555994.db2.gz OLGJLCYJVAPGSE-CHWSQXEVSA-N 1 2 210.365 2.803 20 0 BFADLO Cc1cc(N(C)CC(C)(C)O)[nH+]c2ccccc12 ZINC000384972427 993639187 /nfs/dbraw/zinc/63/91/87/993639187.db2.gz BLACZFXRZJKFTE-UHFFFAOYSA-N 1 2 244.338 2.750 20 0 BFADLO Cc1cc(N2CC[C@](C)(O)C2)[nH+]c2ccccc12 ZINC000384954784 993639961 /nfs/dbraw/zinc/63/99/61/993639961.db2.gz GUAGUJPKJBRQFW-HNNXBMFYSA-N 1 2 242.322 2.504 20 0 BFADLO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)nc1 ZINC000386144552 993681961 /nfs/dbraw/zinc/68/19/61/993681961.db2.gz BMTOIYHNJKZOPP-HNNXBMFYSA-N 1 2 246.354 2.588 20 0 BFADLO CCc1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)nc1 ZINC000386144552 993681966 /nfs/dbraw/zinc/68/19/66/993681966.db2.gz BMTOIYHNJKZOPP-HNNXBMFYSA-N 1 2 246.354 2.588 20 0 BFADLO CC/C=C(/F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001301269814 995075344 /nfs/dbraw/zinc/07/53/44/995075344.db2.gz VBKPAWIRVXMKTM-XCVCLJGOSA-N 1 2 233.246 2.536 20 0 BFADLO C=C=CCNc1nc2ccccc2n2c[nH+]cc12 ZINC001307127730 995289359 /nfs/dbraw/zinc/28/93/59/995289359.db2.gz CPOFUTZJLHOEDR-UHFFFAOYSA-N 1 2 236.278 2.636 20 0 BFADLO Cc1cnc(SCc2ccc[nH+]c2N)c(C)c1 ZINC001307370552 995337541 /nfs/dbraw/zinc/33/75/41/995337541.db2.gz SXSUPHCBDSOUOV-UHFFFAOYSA-N 1 2 245.351 2.968 20 0 BFADLO CCC[C@@H](C)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC001307685346 995428603 /nfs/dbraw/zinc/42/86/03/995428603.db2.gz FALRKCGPPKZPOF-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@@H](C)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC001307685346 995428613 /nfs/dbraw/zinc/42/86/13/995428613.db2.gz FALRKCGPPKZPOF-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCc1ccc(CC[N@@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC001308130416 995556886 /nfs/dbraw/zinc/55/68/86/995556886.db2.gz PZPJGAYHOZWYKM-ZDUSSCGKSA-N 1 2 245.366 2.845 20 0 BFADLO CCc1ccc(CC[N@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC001308130416 995556903 /nfs/dbraw/zinc/55/69/03/995556903.db2.gz PZPJGAYHOZWYKM-ZDUSSCGKSA-N 1 2 245.366 2.845 20 0 BFADLO CC1(C)OCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000296428760 398138549 /nfs/dbraw/zinc/13/85/49/398138549.db2.gz YEMMHWLTNFWDAX-ZDUSSCGKSA-N 1 2 243.310 2.609 20 0 BFADLO c1cc2[nH+]ccc(NCCC3CC3)c2cn1 ZINC000267982742 538915731 /nfs/dbraw/zinc/91/57/31/538915731.db2.gz PMMSRSGMGABGKH-UHFFFAOYSA-N 1 2 213.284 2.842 20 0 BFADLO COc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)[nH+]c1 ZINC000389848798 398140681 /nfs/dbraw/zinc/14/06/81/398140681.db2.gz RQUXFTVPGNGEGZ-WCABBAIRSA-N 1 2 206.289 2.547 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC[C@@H](C)O ZINC000086016309 136211821 /nfs/dbraw/zinc/21/18/21/136211821.db2.gz WRJQRBNBNBJJCP-LLVKDONJSA-N 1 2 230.311 2.726 20 0 BFADLO CCC(CC)(CO)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000267073055 168329590 /nfs/dbraw/zinc/32/95/90/168329590.db2.gz SUKRGUATEDYTME-UHFFFAOYSA-N 1 2 249.358 2.625 20 0 BFADLO CCC(CC)([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952539 168330683 /nfs/dbraw/zinc/33/06/83/168330683.db2.gz JISYFFQEAAGYIE-UHFFFAOYSA-N 1 2 235.327 2.508 20 0 BFADLO CCC(CC)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828229 168333173 /nfs/dbraw/zinc/33/31/73/168333173.db2.gz YEZIBIMIAGQKPK-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(F)F ZINC000389909517 398148583 /nfs/dbraw/zinc/14/85/83/398148583.db2.gz IXCVYMISXZEQPZ-QMMMGPOBSA-N 1 2 224.254 2.911 20 0 BFADLO CCC(CC)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000169813311 168334892 /nfs/dbraw/zinc/33/48/92/168334892.db2.gz ALBWAAWYOHDXQC-GFCCVEGCSA-N 1 2 249.358 2.552 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2cnccc2c1)C(F)F ZINC000389923472 398149184 /nfs/dbraw/zinc/14/91/84/398149184.db2.gz ABCDVUNBHFISFR-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(F)F ZINC000389926499 398149299 /nfs/dbraw/zinc/14/92/99/398149299.db2.gz WNLKCJGYYMYDQZ-QMMMGPOBSA-N 1 2 224.254 2.911 20 0 BFADLO CC(C)c1nc([C@@H](C)[NH2+]CCF)cs1 ZINC000275169740 398152017 /nfs/dbraw/zinc/15/20/17/398152017.db2.gz KUUKUUXSQDHANZ-MRVPVSSYSA-N 1 2 216.325 2.887 20 0 BFADLO Cc1cc(C[NH2+]Cc2c(F)cccc2F)on1 ZINC000044985407 178025450 /nfs/dbraw/zinc/02/54/50/178025450.db2.gz UGXJIMQBEYREOV-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2C)co1 ZINC000647955309 398172523 /nfs/dbraw/zinc/17/25/23/398172523.db2.gz OEIJQJMKUIRKGV-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2C)co1 ZINC000647955309 398172526 /nfs/dbraw/zinc/17/25/26/398172526.db2.gz OEIJQJMKUIRKGV-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355825699 187325111 /nfs/dbraw/zinc/32/51/11/187325111.db2.gz IXDRJECZHZQOHM-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCC2)cc[nH+]1 ZINC000649882832 398164784 /nfs/dbraw/zinc/16/47/84/398164784.db2.gz DGPNCLMLECJXRX-UONOGXRCSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1cc(F)ccc1CNc1ccc(CO)c[nH+]1 ZINC000340561874 178087115 /nfs/dbraw/zinc/08/71/15/178087115.db2.gz NEIUWSJRYGUAQB-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1cc(N2CCCSCC2)nc(C2CC2)[nH+]1 ZINC000264688158 178114882 /nfs/dbraw/zinc/11/48/82/178114882.db2.gz YRVFQXMJJQUTIZ-UHFFFAOYSA-N 1 2 249.383 2.606 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCSC1 ZINC000036934744 178095245 /nfs/dbraw/zinc/09/52/45/178095245.db2.gz ZWODJAGPUVBEKZ-LLVKDONJSA-N 1 2 236.384 2.978 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@]3(C)C[C@@H]3F)cc2[nH+]1 ZINC000424568556 398195189 /nfs/dbraw/zinc/19/51/89/398195189.db2.gz RRYOFAVKKUIADB-WCQYABFASA-N 1 2 247.273 2.558 20 0 BFADLO Cc1cc(N2CCSC(C)(C)CC2)nc[nH+]1 ZINC000336418354 178116124 /nfs/dbraw/zinc/11/61/24/178116124.db2.gz BTPNOWRECLRTMJ-UHFFFAOYSA-N 1 2 237.372 2.507 20 0 BFADLO Cc1cc(N2CCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000172812086 178116152 /nfs/dbraw/zinc/11/61/52/178116152.db2.gz XZLCLEAHHPXNQS-SNVBAGLBSA-N 1 2 217.316 2.651 20 0 BFADLO Cc1cc(N2CC[C@](C)(F)C2)nc(C2CC2)[nH+]1 ZINC000336370434 178119530 /nfs/dbraw/zinc/11/95/30/178119530.db2.gz YNQPVLPUYHJLGJ-ZDUSSCGKSA-N 1 2 235.306 2.601 20 0 BFADLO CC(C)OCCOc1ccccc1-n1cc[nH+]c1 ZINC000576304910 365560746 /nfs/dbraw/zinc/56/07/46/365560746.db2.gz HLIIVCOSGDPSPM-UHFFFAOYSA-N 1 2 246.310 2.676 20 0 BFADLO Cc1cc(NC(=O)Cc2ccsc2)cc[nH+]1 ZINC000302892495 178134665 /nfs/dbraw/zinc/13/46/65/178134665.db2.gz WFLJKDPRCWKGDL-UHFFFAOYSA-N 1 2 232.308 2.633 20 0 BFADLO CCC(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280771555 168341702 /nfs/dbraw/zinc/34/17/02/168341702.db2.gz MYRRNRVRZPEIIW-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO Cc1cc(NC(=O)N2CCC3(CCC3)C2)cc[nH+]1 ZINC000120219612 178136343 /nfs/dbraw/zinc/13/63/43/178136343.db2.gz GTDHQPBKWQWOKM-UHFFFAOYSA-N 1 2 245.326 2.798 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000119700818 178136975 /nfs/dbraw/zinc/13/69/75/178136975.db2.gz RVQNLDGVNFWLRI-MWLCHTKSSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1cc(NC(=O)N2[C@H](C)CC[C@H]2C)cc[nH+]1 ZINC000119839385 178137458 /nfs/dbraw/zinc/13/74/58/178137458.db2.gz SBYCBMRJILPSEM-GHMZBOCLSA-N 1 2 233.315 2.795 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000119953218 178137466 /nfs/dbraw/zinc/13/74/66/178137466.db2.gz HMNPYAHMOTUJEC-QWRGUYRKSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000120216037 178137977 /nfs/dbraw/zinc/13/79/77/178137977.db2.gz MPCAFAXMARMGKN-VXGBXAGGSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1cc(NC(=O)NC[C@@H]2CC=CCC2)cc[nH+]1 ZINC000119745541 178141003 /nfs/dbraw/zinc/14/10/03/178141003.db2.gz UFJWQZPQJBEIBI-GFCCVEGCSA-N 1 2 245.326 2.868 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2C(C)C)cc[nH+]1 ZINC000186025330 178145198 /nfs/dbraw/zinc/14/51/98/178145198.db2.gz KFKXRPUZQVUWII-NWDGAFQWSA-N 1 2 218.300 2.621 20 0 BFADLO COc1ccc2[nH+]c(N3CC[C@@H](F)C3)ccc2c1 ZINC000649420032 398218309 /nfs/dbraw/zinc/21/83/09/398218309.db2.gz BYHLFYWLNMJERF-LLVKDONJSA-N 1 2 246.285 2.792 20 0 BFADLO Cc1cc(NCC(C)C)nc(C(C)C)[nH+]1 ZINC000035121273 178156730 /nfs/dbraw/zinc/15/67/30/178156730.db2.gz ORXIPMSSUQBKPW-UHFFFAOYSA-N 1 2 207.321 2.976 20 0 BFADLO Cc1cc(NCC(C)(C)O)c2cccc(F)c2[nH+]1 ZINC000124356754 178157185 /nfs/dbraw/zinc/15/71/85/178157185.db2.gz ZQECMORAHCDTPP-UHFFFAOYSA-N 1 2 248.301 2.865 20 0 BFADLO Cc1cc(NCCCCCCO)nc(C2CC2)[nH+]1 ZINC000180217250 178158404 /nfs/dbraw/zinc/15/84/04/178158404.db2.gz JPDVHEAHJFWPNY-UHFFFAOYSA-N 1 2 249.358 2.627 20 0 BFADLO Cc1cc(NCC2CC2)nc(-c2cccnc2)[nH+]1 ZINC000299255039 178158602 /nfs/dbraw/zinc/15/86/02/178158602.db2.gz DSAPHRDMJATDRT-UHFFFAOYSA-N 1 2 240.310 2.669 20 0 BFADLO Cc1cc(NCCCc2cccc(F)c2)nc[nH+]1 ZINC000301286633 178159271 /nfs/dbraw/zinc/15/92/71/178159271.db2.gz VNDCCWGTCZEQKF-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1cc(NCCCSCC(C)C)nc[nH+]1 ZINC000301825142 178160456 /nfs/dbraw/zinc/16/04/56/178160456.db2.gz INOLRNDHYYZZCC-UHFFFAOYSA-N 1 2 239.388 2.976 20 0 BFADLO Cc1cc(NCC[C@H](C)O)c2cccc(F)c2[nH+]1 ZINC000126156760 178163497 /nfs/dbraw/zinc/16/34/97/178163497.db2.gz GHEKEOAFOFNJKX-JTQLQIEISA-N 1 2 248.301 2.865 20 0 BFADLO Cc1csc([C@@H](C)CNc2cc(C)[nH+]cn2)n1 ZINC000302115705 178168842 /nfs/dbraw/zinc/16/88/42/178168842.db2.gz CQCWGHQSUGXJAK-QMMMGPOBSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1cc(NC[C@H]2CCCOC2)nc(C(C)C)[nH+]1 ZINC000038046321 178169570 /nfs/dbraw/zinc/16/95/70/178169570.db2.gz OQWKBOGYEWZGPM-GFCCVEGCSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1cc(NCc2ccccn2)nc(C2CC2)[nH+]1 ZINC000265298756 178172552 /nfs/dbraw/zinc/17/25/52/178172552.db2.gz CNZYLEJAGGDDIC-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO Cc1cc(NCc2ccccn2)nc(C(C)C)[nH+]1 ZINC000035121240 178172937 /nfs/dbraw/zinc/17/29/37/178172937.db2.gz DGSJRHWPCUDHLL-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO Cc1cc(N[C@H]2CCCC[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000052006727 178189249 /nfs/dbraw/zinc/18/92/49/178189249.db2.gz VYWKTZAMPGOYJW-RYUDHWBXSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(N[C@@H](C)CCc2cccn2C)nc[nH+]1 ZINC000301437758 178178790 /nfs/dbraw/zinc/17/87/90/178178790.db2.gz HWNATVOSLCRVQU-NSHDSACASA-N 1 2 244.342 2.557 20 0 BFADLO Cc1cc([NH2+][C@H](C)[C@H]2CCOC2)ccc1N(C)C ZINC000182850414 178185226 /nfs/dbraw/zinc/18/52/26/178185226.db2.gz FCSWBUSDORTJIL-OLZOCXBDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCOC2)ccc1[NH+](C)C ZINC000182850414 178185228 /nfs/dbraw/zinc/18/52/28/178185228.db2.gz FCSWBUSDORTJIL-OLZOCXBDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@H](C)CCC2CC2)nc[nH+]1 ZINC000302216164 178185486 /nfs/dbraw/zinc/18/54/86/178185486.db2.gz IFKWNKYYJJDAFD-SECBINFHSA-N 1 2 205.305 2.776 20 0 BFADLO CC[C@H](C)[C@H](CNc1ccc(OC)c[nH+]1)OC ZINC000381154346 398228263 /nfs/dbraw/zinc/22/82/63/398228263.db2.gz MFEGOOPXXRUYES-JQWIXIFHSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1cc([C@@H](C)N[C@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000337403459 178233378 /nfs/dbraw/zinc/23/33/78/178233378.db2.gz QXEOXQGUBYCRLC-YPMHNXCESA-N 1 2 248.370 2.784 20 0 BFADLO Cc1cc([C@@H](C)N[C@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000337403459 178233379 /nfs/dbraw/zinc/23/33/79/178233379.db2.gz QXEOXQGUBYCRLC-YPMHNXCESA-N 1 2 248.370 2.784 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1[nH+]cccc1OC)OC ZINC000381206478 398234761 /nfs/dbraw/zinc/23/47/61/398234761.db2.gz WUIHZOPBEFUOIL-ZYHUDNBSSA-N 1 2 238.331 2.563 20 0 BFADLO CC[C@@H](C)[C@H](CNc1[nH+]cccc1OC)OC ZINC000381206466 398234897 /nfs/dbraw/zinc/23/48/97/398234897.db2.gz WUIHZOPBEFUOIL-PWSUYJOCSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)no1 ZINC000337234366 178253202 /nfs/dbraw/zinc/25/32/02/178253202.db2.gz AJPKLWWXPXGFMG-UWVGGRQHSA-N 1 2 249.289 2.929 20 0 BFADLO C[N@@H+](Cc1csnn1)CC1CCCCC1 ZINC000179936998 259305799 /nfs/dbraw/zinc/30/57/99/259305799.db2.gz BWPHJYXARCEBEU-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[N@H+](Cc1csnn1)CC1CCCCC1 ZINC000179936998 259305801 /nfs/dbraw/zinc/30/58/01/259305801.db2.gz BWPHJYXARCEBEU-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ncc[nH]1 ZINC000278969435 538935172 /nfs/dbraw/zinc/93/51/72/538935172.db2.gz OKNQISOPDSSRCE-JTQLQIEISA-N 1 2 245.301 2.889 20 0 BFADLO Cc1cc(NCc2ccoc2)nc(C2CC2)[nH+]1 ZINC000172014683 398238629 /nfs/dbraw/zinc/23/86/29/398238629.db2.gz LYWYSGGQGKZDPF-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cn1ncc2c1nc[nH+]c2S[C@H]1C=CCCC1 ZINC000076610252 398243596 /nfs/dbraw/zinc/24/35/96/398243596.db2.gz XYJUITTXINAYAA-VIFPVBQESA-N 1 2 246.339 2.564 20 0 BFADLO Cc1cc2[nH+]cn(CC3(O)CCC3)c2cc1C ZINC000336327950 178305718 /nfs/dbraw/zinc/30/57/18/178305718.db2.gz OZRZLNJZKQOGAQ-UHFFFAOYSA-N 1 2 230.311 2.568 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCOC1 ZINC000131623142 178299421 /nfs/dbraw/zinc/29/94/21/178299421.db2.gz GUHSOXZFVNYBRM-GFCCVEGCSA-N 1 2 228.295 2.744 20 0 BFADLO Cc1cc2[nH+]cn(CCC[C@@H](C)O)c2cc1C ZINC000045620922 178304979 /nfs/dbraw/zinc/30/49/79/178304979.db2.gz RQSUUKRPKZQVTH-GFCCVEGCSA-N 1 2 232.327 2.814 20 0 BFADLO CC(C)c1nnc(C[NH+]2C3CCC2CC3)s1 ZINC000576699292 365661534 /nfs/dbraw/zinc/66/15/34/365661534.db2.gz FNNNQDCJMVYTQE-UHFFFAOYSA-N 1 2 237.372 2.788 20 0 BFADLO CCO[C@H]1C[C@@H]([N@H+](C)CC(F)F)C12CCC2 ZINC000177672846 538951997 /nfs/dbraw/zinc/95/19/97/538951997.db2.gz SYWMQSLRZFYKBW-ZJUUUORDSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@H]1C[C@@H]([N@@H+](C)CC(F)F)C12CCC2 ZINC000177672846 538951999 /nfs/dbraw/zinc/95/19/99/538951999.db2.gz SYWMQSLRZFYKBW-ZJUUUORDSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@H]1C[C@H]([N@H+](C)CC(F)F)C12CCC2 ZINC000177672821 538952213 /nfs/dbraw/zinc/95/22/13/538952213.db2.gz SYWMQSLRZFYKBW-UWVGGRQHSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@H]1C[C@H]([N@@H+](C)CC(F)F)C12CCC2 ZINC000177672821 538952214 /nfs/dbraw/zinc/95/22/14/538952214.db2.gz SYWMQSLRZFYKBW-UWVGGRQHSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc(Cl)cc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000378772718 346831776 /nfs/dbraw/zinc/83/17/76/346831776.db2.gz GJEDDQHJBNZMDS-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1ccncc1 ZINC000180623147 538958410 /nfs/dbraw/zinc/95/84/10/538958410.db2.gz QIDFKQRQALOGHZ-HZMBPMFUSA-N 1 2 244.342 2.915 20 0 BFADLO CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000047979141 342708765 /nfs/dbraw/zinc/70/87/65/342708765.db2.gz ULIGXYOCAGHTNI-YPMHNXCESA-N 1 2 235.327 2.679 20 0 BFADLO Fc1ccc(Cl)cc1COCc1[nH]cc[nH+]1 ZINC000189115589 346860180 /nfs/dbraw/zinc/86/01/80/346860180.db2.gz XMZAEPXWKDHRFH-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO CCCC[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000083381199 398280429 /nfs/dbraw/zinc/28/04/29/398280429.db2.gz SMJJZCNDOWIENB-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO c1[nH]cc(NC[C@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000309684234 342787776 /nfs/dbraw/zinc/78/77/76/342787776.db2.gz NUKYGRCKAIIMFE-VXGBXAGGSA-N 1 2 213.284 2.625 20 0 BFADLO Cc1[nH+]cc(-c2cncc(C(F)(F)F)c2)n1C ZINC000630051600 361911991 /nfs/dbraw/zinc/91/19/91/361911991.db2.gz BKZXTMYBGKGRPP-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO CCC(CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000047979129 168390325 /nfs/dbraw/zinc/39/03/25/168390325.db2.gz PZXRPMNHSPQNGN-CYBMUJFWSA-N 1 2 235.327 2.679 20 0 BFADLO CCc1ccc(CNc2cc(CO)cc[nH+]2)s1 ZINC000630032282 361907515 /nfs/dbraw/zinc/90/75/15/361907515.db2.gz FVZGLICSRQUFDD-UHFFFAOYSA-N 1 2 248.351 2.810 20 0 BFADLO Cc1cnc(C[NH2+]Cc2csc(C)n2)s1 ZINC000164839410 342812273 /nfs/dbraw/zinc/81/22/73/342812273.db2.gz BXIJDLIMINYDKG-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CCCn1nc(C)c(-c2c[nH+]c(C)n2C)c1C ZINC000630051574 361918865 /nfs/dbraw/zinc/91/88/65/361918865.db2.gz ACZNZZFWWXOGHL-UHFFFAOYSA-N 1 2 232.331 2.619 20 0 BFADLO Cc1nc(N2CCCC3(CC3)CC2)cc[nH+]1 ZINC000624718854 342821774 /nfs/dbraw/zinc/82/17/74/342821774.db2.gz DVPHHEBVZBUBEM-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CCc1ccc(NCc2cn(C)c[nH+]2)cc1C ZINC000380226232 538987543 /nfs/dbraw/zinc/98/75/43/538987543.db2.gz WYLPLLIREJKSOX-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO CNc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053912 361924782 /nfs/dbraw/zinc/92/47/82/361924782.db2.gz XTDTTXNIAFBGGU-UHFFFAOYSA-N 1 2 227.311 2.928 20 0 BFADLO Nc1cccc(-c2cccc(Cl)c2)[nH+]1 ZINC000044367182 538988762 /nfs/dbraw/zinc/98/87/62/538988762.db2.gz ZIGNKLLSSUBLAI-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO FC(F)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191666457 538993075 /nfs/dbraw/zinc/99/30/75/538993075.db2.gz PHAVJIPOGGZAPQ-UHFFFAOYSA-N 1 2 226.270 2.526 20 0 BFADLO CCOc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000381973067 398291059 /nfs/dbraw/zinc/29/10/59/398291059.db2.gz CNUNVZQECLRGLG-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO C[N@H+](CC(F)F)CC1(c2ccccc2)CC1 ZINC000189298860 538981334 /nfs/dbraw/zinc/98/13/34/538981334.db2.gz BUQICKGITUIENO-UHFFFAOYSA-N 1 2 225.282 2.915 20 0 BFADLO C[N@@H+](CC(F)F)CC1(c2ccccc2)CC1 ZINC000189298860 538981336 /nfs/dbraw/zinc/98/13/36/538981336.db2.gz BUQICKGITUIENO-UHFFFAOYSA-N 1 2 225.282 2.915 20 0 BFADLO FC(F)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000381485377 539002058 /nfs/dbraw/zinc/00/20/58/539002058.db2.gz IEFQJLCPRWNPFM-UHFFFAOYSA-N 1 2 223.226 2.959 20 0 BFADLO FC(F)C1([NH2+]Cc2ccncc2)CCCC1 ZINC000381510886 539002813 /nfs/dbraw/zinc/00/28/13/539002813.db2.gz WIVKBHWXQBMKFW-UHFFFAOYSA-N 1 2 226.270 2.749 20 0 BFADLO COc1ccc(N[C@H](C)c2cncs2)[nH+]c1 ZINC000381554013 539003842 /nfs/dbraw/zinc/00/38/42/539003842.db2.gz NXFIXMHQWCWTAS-MRVPVSSYSA-N 1 2 235.312 2.720 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000640723586 361962035 /nfs/dbraw/zinc/96/20/35/361962035.db2.gz LEKLALHDPBJFLQ-SRVKXCTJSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CCCO2)c(C)[nH+]1 ZINC000381065846 538994803 /nfs/dbraw/zinc/99/48/03/538994803.db2.gz MQZJMCDRSLPORC-DGCLKSJQSA-N 1 2 220.316 2.678 20 0 BFADLO CC(C)CCCNc1cc2cc[nH]c2c[nH+]1 ZINC000381259000 538997399 /nfs/dbraw/zinc/99/73/99/538997399.db2.gz RLSBVDXFOKOKMO-UHFFFAOYSA-N 1 2 217.316 2.833 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381330130 538998387 /nfs/dbraw/zinc/99/83/87/538998387.db2.gz STPMZQVJYIIYBC-APPZFPTMSA-N 1 2 229.274 2.557 20 0 BFADLO Fc1cc(Cl)cc(C[NH2+]Cc2cocn2)c1 ZINC000390747848 539027212 /nfs/dbraw/zinc/02/72/12/539027212.db2.gz AVGWXMLEJSTWQX-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)o1 ZINC000389926534 539018646 /nfs/dbraw/zinc/01/86/46/539018646.db2.gz WSGKVLNKIFJJHO-JTQLQIEISA-N 1 2 215.243 2.865 20 0 BFADLO CCC[NH+](CCC)Cc1noc(C2CCC2)n1 ZINC000625080351 342849774 /nfs/dbraw/zinc/84/97/74/342849774.db2.gz NHTBHSPYFMCYPU-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CC(C)CC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625091442 342851075 /nfs/dbraw/zinc/85/10/75/342851075.db2.gz XGSOUZOTTKBXQH-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625091442 342851076 /nfs/dbraw/zinc/85/10/76/342851076.db2.gz XGSOUZOTTKBXQH-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625108715 342859648 /nfs/dbraw/zinc/85/96/48/342859648.db2.gz JNDIZIDTOISNGE-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625108715 342859649 /nfs/dbraw/zinc/85/96/49/342859649.db2.gz JNDIZIDTOISNGE-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccon1 ZINC000309779355 342896173 /nfs/dbraw/zinc/89/61/73/342896173.db2.gz MNPBVVLIOGHWRA-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000075749072 342893240 /nfs/dbraw/zinc/89/32/40/342893240.db2.gz ITHBTAGOYPBLNC-VHSXEESVSA-N 1 2 240.372 2.563 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@H](C)[C@@H]2C)o1 ZINC000075749072 342893242 /nfs/dbraw/zinc/89/32/42/342893242.db2.gz ITHBTAGOYPBLNC-VHSXEESVSA-N 1 2 240.372 2.563 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625185395 342904758 /nfs/dbraw/zinc/90/47/58/342904758.db2.gz BVVIIXAKFBAYFO-MNOVXSKESA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625185395 342904759 /nfs/dbraw/zinc/90/47/59/342904759.db2.gz BVVIIXAKFBAYFO-MNOVXSKESA-N 1 2 249.358 2.958 20 0 BFADLO COc1cccc([C@@H](C)[N@H+](C)Cc2ccon2)c1 ZINC000351481702 136246184 /nfs/dbraw/zinc/24/61/84/136246184.db2.gz YALNZFCIYLGMJO-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1cccc([C@@H](C)[N@@H+](C)Cc2ccon2)c1 ZINC000351481702 136246185 /nfs/dbraw/zinc/24/61/85/136246185.db2.gz YALNZFCIYLGMJO-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO CCN(CC(F)F)c1cc[nH+]c(C(C)C)n1 ZINC000302126154 398325088 /nfs/dbraw/zinc/32/50/88/398325088.db2.gz IJOJRHPCHTYPSI-UHFFFAOYSA-N 1 2 229.274 2.691 20 0 BFADLO CCO[C@H](C[N@H+](CC(F)F)C(C)C)C1CC1 ZINC000625222489 342919783 /nfs/dbraw/zinc/91/97/83/342919783.db2.gz QROSTEXLWGYFSV-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO CCO[C@H](C[N@@H+](CC(F)F)C(C)C)C1CC1 ZINC000625222489 342919785 /nfs/dbraw/zinc/91/97/85/342919785.db2.gz QROSTEXLWGYFSV-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C1CCCC1 ZINC000493123975 529458072 /nfs/dbraw/zinc/45/80/72/529458072.db2.gz VVQAJKAABVHQAQ-KRZKBDHCSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000127273683 398339592 /nfs/dbraw/zinc/33/95/92/398339592.db2.gz QAFGREADEVAEHI-GFCCVEGCSA-N 1 2 230.311 2.808 20 0 BFADLO CN(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000157320616 398340118 /nfs/dbraw/zinc/34/01/18/398340118.db2.gz LNOZSALAZYAZSV-UHFFFAOYSA-N 1 2 237.306 2.971 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc(F)c1Cl ZINC000335739911 398342292 /nfs/dbraw/zinc/34/22/92/398342292.db2.gz MZYHVHFIQBBKSH-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO CC[C@@H](CNc1cc(C)[nH+]cn1)CC(F)(F)F ZINC000402661395 529474698 /nfs/dbraw/zinc/47/46/98/529474698.db2.gz KYZAGEJMDRTUOE-SECBINFHSA-N 1 2 247.264 2.597 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)o1 ZINC000336143590 398344947 /nfs/dbraw/zinc/34/49/47/398344947.db2.gz ZBDABBGSBGSOHT-CABZTGNLSA-N 1 2 231.299 2.580 20 0 BFADLO CC[N@H+](Cc1csc([C@@H](C)OC)n1)C1CC1 ZINC000175079295 346892027 /nfs/dbraw/zinc/89/20/27/346892027.db2.gz RHPRFMGBCBMSNQ-SECBINFHSA-N 1 2 240.372 2.835 20 0 BFADLO CC[N@@H+](Cc1csc([C@@H](C)OC)n1)C1CC1 ZINC000175079295 346892029 /nfs/dbraw/zinc/89/20/29/346892029.db2.gz RHPRFMGBCBMSNQ-SECBINFHSA-N 1 2 240.372 2.835 20 0 BFADLO FC(F)Oc1ccc[nH+]c1NCC1(F)CC1 ZINC000381868690 346900530 /nfs/dbraw/zinc/90/05/30/346900530.db2.gz XZQUCIQXLZYGCK-UHFFFAOYSA-N 1 2 232.205 2.597 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000233680663 259336851 /nfs/dbraw/zinc/33/68/51/259336851.db2.gz WPQCRHWNAACTFX-JSGCOSHPSA-N 1 2 249.354 2.927 20 0 BFADLO C[C@@H](NC(=O)C1(C)CCCCC1)c1[nH]cc[nH+]1 ZINC000235166879 342988490 /nfs/dbraw/zinc/98/84/90/342988490.db2.gz BBPKSEXVMLBXRS-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO Cc1nc(N(CCC(C)C)C2CC2)cc[nH+]1 ZINC000361159191 187218426 /nfs/dbraw/zinc/21/84/26/187218426.db2.gz JBRSQCDHRZQHIE-UHFFFAOYSA-N 1 2 219.332 2.800 20 0 BFADLO CC(C)C[C@H](C)[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094332 187222370 /nfs/dbraw/zinc/22/23/70/187222370.db2.gz FVWUUIHINGZMAU-NSHDSACASA-N 1 2 245.330 2.509 20 0 BFADLO C[C@H](N(C)c1nc[nH+]c(N)c1Cl)C(C)(C)C ZINC000235517717 343048032 /nfs/dbraw/zinc/04/80/32/343048032.db2.gz RHLZZVWZFTYZCH-ZETCQYMHSA-N 1 2 242.754 2.583 20 0 BFADLO C[C@H](N(C)c1[nH+]cnc(N)c1Cl)C(C)(C)C ZINC000235517717 343048034 /nfs/dbraw/zinc/04/80/34/343048034.db2.gz RHLZZVWZFTYZCH-ZETCQYMHSA-N 1 2 242.754 2.583 20 0 BFADLO CC(C)c1nc(N2CCCOC(C)(C)C2)cc[nH+]1 ZINC000377701204 187226133 /nfs/dbraw/zinc/22/61/33/187226133.db2.gz KTSNIWXKGCAQMZ-UHFFFAOYSA-N 1 2 249.358 2.605 20 0 BFADLO CCc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492767095 529665149 /nfs/dbraw/zinc/66/51/49/529665149.db2.gz NIJJRKWJDVWLKE-FPLPWBNLSA-N 1 2 241.294 2.624 20 0 BFADLO Cc1cc([NH+](C)C)ccc1Nc1ncccn1 ZINC000067447582 362030892 /nfs/dbraw/zinc/03/08/92/362030892.db2.gz VJKUEYBZXQHRPN-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000049368326 187233203 /nfs/dbraw/zinc/23/32/03/187233203.db2.gz DECFHIAPUFKKQC-OCCSQVGLSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1cc(CNC(=O)C[C@H](C)C(C)C)cc(C)[nH+]1 ZINC000421581281 192356232 /nfs/dbraw/zinc/35/62/32/192356232.db2.gz XYZUEAGGWDGYHG-NSHDSACASA-N 1 2 248.370 2.997 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1cscc1C ZINC000176299696 365714767 /nfs/dbraw/zinc/71/47/67/365714767.db2.gz ROKNZGYCTTYNBE-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO Cc1cc(CNC(=O)[C@@H](C)C2CCC2)cc(C)[nH+]1 ZINC000421576647 192354897 /nfs/dbraw/zinc/35/48/97/192354897.db2.gz CWCWJMUXXFLOOQ-LBPRGKRZSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cnccc1C[NH2+][C@H](C)c1cscn1 ZINC000129735141 343185034 /nfs/dbraw/zinc/18/50/34/343185034.db2.gz QHHPYGNNPOOQLB-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cncs2)s1 ZINC000122909874 343161579 /nfs/dbraw/zinc/16/15/79/343161579.db2.gz UBUDLFAZHZOQBT-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nnsc1Cl ZINC000124596421 343163116 /nfs/dbraw/zinc/16/31/16/343163116.db2.gz ODAJGVYBHWEIEV-SFYZADRCSA-N 1 2 245.779 2.954 20 0 BFADLO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnsc1Cl ZINC000124596421 343163118 /nfs/dbraw/zinc/16/31/18/343163118.db2.gz ODAJGVYBHWEIEV-SFYZADRCSA-N 1 2 245.779 2.954 20 0 BFADLO CCc1ccc(C[NH2+]CC(F)F)s1 ZINC000147399224 343197995 /nfs/dbraw/zinc/19/79/95/343197995.db2.gz UKUCWILZBUMQSS-UHFFFAOYSA-N 1 2 205.273 2.665 20 0 BFADLO C[C@@H]1CCCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625335554 343238342 /nfs/dbraw/zinc/23/83/42/343238342.db2.gz REHPOJLDMQDJDN-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1CCCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625335554 343238345 /nfs/dbraw/zinc/23/83/45/343238345.db2.gz REHPOJLDMQDJDN-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccon2)c(C)o1 ZINC000088052868 136284611 /nfs/dbraw/zinc/28/46/11/136284611.db2.gz HDGVWJSBJREMKF-VIFPVBQESA-N 1 2 220.272 2.735 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2c(c1)CCC2 ZINC000034937817 343281181 /nfs/dbraw/zinc/28/11/81/343281181.db2.gz NFEGNUNOTQYTRY-UHFFFAOYSA-N 1 2 227.311 2.521 20 0 BFADLO FC(F)n1ccc(C[NH+]2CC(C3CCC3)C2)n1 ZINC000348712650 136293702 /nfs/dbraw/zinc/29/37/02/136293702.db2.gz IPVSZZBITYPRPW-UHFFFAOYSA-N 1 2 241.285 2.510 20 0 BFADLO CC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000038034402 343366887 /nfs/dbraw/zinc/36/68/87/343366887.db2.gz JIXPTLDGURNZCF-LBPRGKRZSA-N 1 2 231.299 2.619 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625387969 343369646 /nfs/dbraw/zinc/36/96/46/343369646.db2.gz PUAJSYLKMFGJTE-JTQLQIEISA-N 1 2 247.342 2.735 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625387969 343369649 /nfs/dbraw/zinc/36/96/49/343369649.db2.gz PUAJSYLKMFGJTE-JTQLQIEISA-N 1 2 247.342 2.735 20 0 BFADLO CC[C@H]([NH2+]Cc1cscn1)c1nccs1 ZINC000070717362 343340560 /nfs/dbraw/zinc/34/05/60/343340560.db2.gz LYXAUXOSONTAIQ-VIFPVBQESA-N 1 2 239.369 2.841 20 0 BFADLO Cc1cc(CNC(=O)C[C@H]2C=CCC2)cc(C)[nH+]1 ZINC000421552858 192360447 /nfs/dbraw/zinc/36/04/47/192360447.db2.gz COPFCRNJGLPXBZ-ZDUSSCGKSA-N 1 2 244.338 2.671 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000041013756 343412349 /nfs/dbraw/zinc/41/23/49/343412349.db2.gz LALWSDZXHVPPMJ-UHFFFAOYSA-N 1 2 243.354 2.997 20 0 BFADLO CCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000041304782 343418630 /nfs/dbraw/zinc/41/86/30/343418630.db2.gz OUXIENGHYXBTQD-UHFFFAOYSA-N 1 2 231.299 2.771 20 0 BFADLO C[C@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000335834564 136352994 /nfs/dbraw/zinc/35/29/94/136352994.db2.gz OFRWWAALDBTSBE-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000335834564 136352995 /nfs/dbraw/zinc/35/29/95/136352995.db2.gz OFRWWAALDBTSBE-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CO2 ZINC000335700143 136333544 /nfs/dbraw/zinc/33/35/44/136333544.db2.gz UVERZTRSYZORSW-GFCCVEGCSA-N 1 2 233.242 2.642 20 0 BFADLO CCc1cc(N[C@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000070832899 343436314 /nfs/dbraw/zinc/43/63/14/343436314.db2.gz AMQAITVHRXTZFF-ONGXEEELSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)o1 ZINC000350519383 136361896 /nfs/dbraw/zinc/36/18/96/136361896.db2.gz YXQBBIBRWCIYGT-JQWIXIFHSA-N 1 2 247.342 2.603 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)o1 ZINC000350519382 136361943 /nfs/dbraw/zinc/36/19/43/136361943.db2.gz YXQBBIBRWCIYGT-CMPLNLGQSA-N 1 2 247.342 2.603 20 0 BFADLO CC1(C)CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000351500874 136369055 /nfs/dbraw/zinc/36/90/55/136369055.db2.gz GQIDYTUWLHJQQR-LLVKDONJSA-N 1 2 231.343 2.767 20 0 BFADLO CCC1(C)CC[NH+](Cc2csnn2)CC1 ZINC000334145574 168445816 /nfs/dbraw/zinc/44/58/16/168445816.db2.gz MDEIORJZXRSFDB-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO CO[C@]1(C)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000280579745 187342054 /nfs/dbraw/zinc/34/20/54/187342054.db2.gz WCBVBOLSEWFXOC-CQSZACIVSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C1CCC1 ZINC000287598661 187345987 /nfs/dbraw/zinc/34/59/87/187345987.db2.gz RYNCADQOOPFMPY-UHFFFAOYSA-N 1 2 233.315 2.715 20 0 BFADLO Cc1cc(N(C)[C@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000557497170 343696248 /nfs/dbraw/zinc/69/62/48/343696248.db2.gz PFXICQIQWOWZJW-SNVBAGLBSA-N 1 2 231.343 2.897 20 0 BFADLO C[N@H+](C/C=C/c1ccncc1)Cc1nccs1 ZINC000494949996 529820267 /nfs/dbraw/zinc/82/02/67/529820267.db2.gz FEXRXMDFWXSBSS-NSCUHMNNSA-N 1 2 245.351 2.683 20 0 BFADLO C[N@@H+](C/C=C/c1ccncc1)Cc1nccs1 ZINC000494949996 529820268 /nfs/dbraw/zinc/82/02/68/529820268.db2.gz FEXRXMDFWXSBSS-NSCUHMNNSA-N 1 2 245.351 2.683 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCSC(C)C ZINC000380272409 343716675 /nfs/dbraw/zinc/71/66/75/343716675.db2.gz WTBODVDVGSRFNY-VIFPVBQESA-N 1 2 227.377 2.510 20 0 BFADLO CC1(C)CC[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000232813462 537806814 /nfs/dbraw/zinc/80/68/14/537806814.db2.gz XCFZQKWJQQXXBB-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO CC1(C)CC[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000232813462 537806817 /nfs/dbraw/zinc/80/68/17/537806817.db2.gz XCFZQKWJQQXXBB-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(Cl)cc1 ZINC000090233675 343750742 /nfs/dbraw/zinc/75/07/42/343750742.db2.gz XPXLOSDOEQTCGS-UHFFFAOYSA-N 1 2 222.675 2.653 20 0 BFADLO CNc1cc(NCc2ccccc2Cl)nc[nH+]1 ZINC000128414173 343787716 /nfs/dbraw/zinc/78/77/16/343787716.db2.gz LVQWLDQUKAJHBS-UHFFFAOYSA-N 1 2 248.717 2.784 20 0 BFADLO CNc1cc(NCc2ccccc2Cl)[nH+]cn1 ZINC000128414173 343787718 /nfs/dbraw/zinc/78/77/18/343787718.db2.gz LVQWLDQUKAJHBS-UHFFFAOYSA-N 1 2 248.717 2.784 20 0 BFADLO COc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000336710759 537829638 /nfs/dbraw/zinc/82/96/38/537829638.db2.gz RXKDJUBMZCXIKZ-VIFPVBQESA-N 1 2 217.272 2.591 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)C1CC(C)(C)C1 ZINC000625468383 343872332 /nfs/dbraw/zinc/87/23/32/343872332.db2.gz WTPLMOUVSVPGIT-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)C1CC(C)(C)C1 ZINC000625468383 343872335 /nfs/dbraw/zinc/87/23/35/343872335.db2.gz WTPLMOUVSVPGIT-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1ccc(N[C@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000336732184 537833204 /nfs/dbraw/zinc/83/32/04/537833204.db2.gz LJBRCDSWUWIZLI-STQMWFEESA-N 1 2 202.301 2.991 20 0 BFADLO Cc1cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)on1 ZINC000631141385 343939792 /nfs/dbraw/zinc/93/97/92/343939792.db2.gz GXGDASIVYWVZRT-QMTHXVAHSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)on1 ZINC000631141386 343939875 /nfs/dbraw/zinc/93/98/75/343939875.db2.gz GXGDASIVYWVZRT-YGRLFVJLSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000628121208 343973742 /nfs/dbraw/zinc/97/37/42/343973742.db2.gz WLNKCEXFTRMLMH-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000628121208 343973743 /nfs/dbraw/zinc/97/37/43/343973743.db2.gz WLNKCEXFTRMLMH-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1[nH]c(CN(C)Cc2cccs2)[nH+]c1C ZINC000628119650 343968239 /nfs/dbraw/zinc/96/82/39/343968239.db2.gz DSWKJQCFLGINFU-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cccc(C[N@@H+]2Cc3ccc(O)cc3C2)n1 ZINC000625726740 344057851 /nfs/dbraw/zinc/05/78/51/344057851.db2.gz KZKZHXSYWJODJJ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cccc(C[N@H+]2Cc3ccc(O)cc3C2)n1 ZINC000625726740 344057854 /nfs/dbraw/zinc/05/78/54/344057854.db2.gz KZKZHXSYWJODJJ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cccnc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728061 344059141 /nfs/dbraw/zinc/05/91/41/344059141.db2.gz UFPBNBOVPBVEOF-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cccnc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728061 344059144 /nfs/dbraw/zinc/05/91/44/344059144.db2.gz UFPBNBOVPBVEOF-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cnccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625728308 344059886 /nfs/dbraw/zinc/05/98/86/344059886.db2.gz HLYIXBYYBXJGCP-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cnccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625728308 344059888 /nfs/dbraw/zinc/05/98/88/344059888.db2.gz HLYIXBYYBXJGCP-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H]1c1cccnc1 ZINC000641268721 362336753 /nfs/dbraw/zinc/33/67/53/362336753.db2.gz LMJWFZYKBQVUTA-ZDUSSCGKSA-N 1 2 243.285 2.957 20 0 BFADLO C[C@H](CCc1ccco1)Nc1cc[nH+]cc1F ZINC000641262516 362337054 /nfs/dbraw/zinc/33/70/54/362337054.db2.gz AFMOWFWXVHAWHI-SNVBAGLBSA-N 1 2 234.274 2.669 20 0 BFADLO Cc1nc(C[NH+](C2CC2)C2CC2)cs1 ZINC000625837677 344089796 /nfs/dbraw/zinc/08/97/96/344089796.db2.gz QMTGSDKUZMFWHQ-UHFFFAOYSA-N 1 2 208.330 2.578 20 0 BFADLO CCc1nc(C[NH+](C2CC2)C2CC2)cs1 ZINC000625838173 344090619 /nfs/dbraw/zinc/09/06/19/344090619.db2.gz YUWBKQYNEULBEW-UHFFFAOYSA-N 1 2 222.357 2.832 20 0 BFADLO CC(C)CCc1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625838198 344090755 /nfs/dbraw/zinc/09/07/55/344090755.db2.gz UFQZTMPSMQSPEU-UHFFFAOYSA-N 1 2 249.358 2.785 20 0 BFADLO CC(C)CC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641306957 362355920 /nfs/dbraw/zinc/35/59/20/362355920.db2.gz BLYQYIIDVPLLFY-NSHDSACASA-N 1 2 222.332 2.811 20 0 BFADLO C/C=C/CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000384903255 344221410 /nfs/dbraw/zinc/22/14/10/344221410.db2.gz OLEAFMFRPYUECD-NSCUHMNNSA-N 1 2 216.206 2.510 20 0 BFADLO CCC[C@@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000631426425 344266725 /nfs/dbraw/zinc/26/67/25/344266725.db2.gz QNJHSTDPHAVTLZ-ZDUSSCGKSA-N 1 2 244.338 2.620 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc3ccccc3[nH]2)CCS1 ZINC000131396200 344276741 /nfs/dbraw/zinc/27/67/41/344276741.db2.gz AFYLLOKDQDKTKK-SNVBAGLBSA-N 1 2 247.367 2.500 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3[nH]2)CCS1 ZINC000131396200 344276742 /nfs/dbraw/zinc/27/67/42/344276742.db2.gz AFYLLOKDQDKTKK-SNVBAGLBSA-N 1 2 247.367 2.500 20 0 BFADLO CC(C)OC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641362863 362377458 /nfs/dbraw/zinc/37/74/58/362377458.db2.gz NFQGPOBLQHZQSY-UHFFFAOYSA-N 1 2 238.306 2.615 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1ccco1 ZINC000041011762 344411566 /nfs/dbraw/zinc/41/15/66/344411566.db2.gz OFQQAYCVYURGDH-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(Cl)cs1 ZINC000494928836 529982108 /nfs/dbraw/zinc/98/21/08/529982108.db2.gz GHAYMPZXJWGMLD-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1cc(Cl)cs1 ZINC000494928836 529982109 /nfs/dbraw/zinc/98/21/09/529982109.db2.gz GHAYMPZXJWGMLD-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCCC1(F)F)c1cnn(C)c1 ZINC000672622578 488262449 /nfs/dbraw/zinc/26/24/49/488262449.db2.gz NCQRZYAMEMTMGA-QWRGUYRKSA-N 1 2 243.301 2.649 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CCCC(F)(F)C2)c1 ZINC000641446535 362423212 /nfs/dbraw/zinc/42/32/12/362423212.db2.gz CHKQHZVKRZIXBR-SNVBAGLBSA-N 1 2 242.269 2.564 20 0 BFADLO CCC[C@@H](C)[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641446305 362423849 /nfs/dbraw/zinc/42/38/49/362423849.db2.gz DZLJJPLJHFCPTB-OCCSQVGLSA-N 1 2 248.370 2.979 20 0 BFADLO COc1ccccc1CSCc1[nH+]ccn1C ZINC000127671595 344594025 /nfs/dbraw/zinc/59/40/25/344594025.db2.gz IODLYGXDFNHDNH-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]cc1F ZINC000641477163 362446548 /nfs/dbraw/zinc/44/65/48/362446548.db2.gz VZFRBGOCLFFKFM-ZJUUUORDSA-N 1 2 208.280 2.988 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]cc1F ZINC000641477160 362446582 /nfs/dbraw/zinc/44/65/82/362446582.db2.gz VZFRBGOCLFFKFM-NXEZZACHSA-N 1 2 208.280 2.988 20 0 BFADLO COc1ccccc1CSCc1cn(C)c[nH+]1 ZINC000603318155 349913343 /nfs/dbraw/zinc/91/33/43/349913343.db2.gz RQVHEIHGMKGXKH-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO C[C@@H]1CC[C@@]2(CCN(c3cc(CO)cc[nH+]3)C2)C1 ZINC000641486472 362453947 /nfs/dbraw/zinc/45/39/47/362453947.db2.gz VNGAYUYNXOBZAI-IUODEOHRSA-N 1 2 246.354 2.590 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]cc2F)CCS1 ZINC000641533841 362484092 /nfs/dbraw/zinc/48/40/92/362484092.db2.gz BLFRVWBZZFWFPG-SECBINFHSA-N 1 2 226.320 2.553 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CC1=CCCC1 ZINC000626019103 344675151 /nfs/dbraw/zinc/67/51/51/344675151.db2.gz KJKRNIQAMKYKFU-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CC1=CCCC1 ZINC000626019103 344675153 /nfs/dbraw/zinc/67/51/53/344675153.db2.gz KJKRNIQAMKYKFU-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO CCN(c1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000116260214 344728686 /nfs/dbraw/zinc/72/86/86/344728686.db2.gz IJZQHIKKYFROJT-UHFFFAOYSA-N 1 2 219.332 2.897 20 0 BFADLO CCCCc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)no1 ZINC000076112336 344796325 /nfs/dbraw/zinc/79/63/25/344796325.db2.gz IMANVQBCQSTOBT-GHMZBOCLSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H](C)CCC(C)(C)C)c[nH+]1 ZINC000077036942 344812864 /nfs/dbraw/zinc/81/28/64/344812864.db2.gz MJWQNALDVLNCOO-SECBINFHSA-N 1 2 237.347 2.663 20 0 BFADLO CCC(=O)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000077222323 344818224 /nfs/dbraw/zinc/81/82/24/344818224.db2.gz HQHMUMOYGFQCRU-VIFPVBQESA-N 1 2 234.324 2.794 20 0 BFADLO Cc1ccoc1CN(C)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628292151 347083906 /nfs/dbraw/zinc/08/39/06/347083906.db2.gz NCTCAEHEQYYBLI-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1nc(NC[C@H](C)Oc2ccccc2)cc[nH+]1 ZINC000078259583 344839618 /nfs/dbraw/zinc/83/96/18/344839618.db2.gz BMYHTSMYYDYFSS-NSHDSACASA-N 1 2 243.310 2.664 20 0 BFADLO Cc1nc(N2C[C@H](C)CCC[C@@H]2C)cc[nH+]1 ZINC000078342316 344850806 /nfs/dbraw/zinc/85/08/06/344850806.db2.gz XELQLGJZRMYGBP-MNOVXSKESA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N2CCCC(C)(C)CC2)cc[nH+]1 ZINC000078373517 344856090 /nfs/dbraw/zinc/85/60/90/344856090.db2.gz GPVWGMNWDWMHBS-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1ccncc1 ZINC000078306355 344844216 /nfs/dbraw/zinc/84/42/16/344844216.db2.gz FQHQSMYXZNJXCT-LBPRGKRZSA-N 1 2 228.299 2.743 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)n1 ZINC000628169371 344884035 /nfs/dbraw/zinc/88/40/35/344884035.db2.gz AVVHXVBBUPNGMU-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@H](C)c2cccc(O)c2)n1 ZINC000628169371 344884038 /nfs/dbraw/zinc/88/40/38/344884038.db2.gz AVVHXVBBUPNGMU-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO CCCc1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000042622989 344922200 /nfs/dbraw/zinc/92/22/00/344922200.db2.gz RBYKRNXAJRELBY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCCc1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000042622989 344922202 /nfs/dbraw/zinc/92/22/02/344922202.db2.gz RBYKRNXAJRELBY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1c[nH]c(C[N@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC000628184063 344930434 /nfs/dbraw/zinc/93/04/34/344930434.db2.gz YFLGJBHIXWPHHQ-LBPRGKRZSA-N 1 2 241.338 2.665 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC000628184063 344930437 /nfs/dbraw/zinc/93/04/37/344930437.db2.gz YFLGJBHIXWPHHQ-LBPRGKRZSA-N 1 2 241.338 2.665 20 0 BFADLO CC[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579013991 344930903 /nfs/dbraw/zinc/93/09/03/344930903.db2.gz LNCCEWLRAYSNKG-CHWSQXEVSA-N 1 2 249.358 2.625 20 0 BFADLO COc1ccc(C)cc1C[NH2+]Cc1ncc(C)o1 ZINC000234861462 537880475 /nfs/dbraw/zinc/88/04/75/537880475.db2.gz SDEPEIVNVABNFC-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1[nH]c(CN2CCc3ccccc32)[nH+]c1C ZINC000628199062 344965571 /nfs/dbraw/zinc/96/55/71/344965571.db2.gz ZVFMHYITRCKTOZ-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)no1 ZINC000626105248 344967360 /nfs/dbraw/zinc/96/73/60/344967360.db2.gz ZEAFTMUAQPDPRX-FZMZJTMJSA-N 1 2 249.358 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)no1 ZINC000626105248 344967362 /nfs/dbraw/zinc/96/73/62/344967362.db2.gz ZEAFTMUAQPDPRX-FZMZJTMJSA-N 1 2 249.358 2.787 20 0 BFADLO COc1ccc(NC[C@@]2(C)CCCS2)[nH+]c1 ZINC000234990260 537883514 /nfs/dbraw/zinc/88/35/14/537883514.db2.gz BFDBPMSTXKKHAU-GFCCVEGCSA-N 1 2 238.356 2.788 20 0 BFADLO Cc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000628203654 344993365 /nfs/dbraw/zinc/99/33/65/344993365.db2.gz QPTXLGXBKXEJFC-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO CC(C)(CNc1cc[nH+]cc1F)C(F)(F)F ZINC000641556245 362500549 /nfs/dbraw/zinc/50/05/49/362500549.db2.gz DNPLCCJFPRUEHA-UHFFFAOYSA-N 1 2 236.212 2.643 20 0 BFADLO C[C@H](Nc1cc(CO)cc[nH+]1)c1ccsc1 ZINC000641558930 362504489 /nfs/dbraw/zinc/50/44/89/362504489.db2.gz ZMTQFPKCGKLEGY-VIFPVBQESA-N 1 2 234.324 2.809 20 0 BFADLO O[C@@H]1CCCC[C@@H]1CCCNc1cccc[nH+]1 ZINC000154515129 345039453 /nfs/dbraw/zinc/03/94/53/345039453.db2.gz NYZNRPSWPADDCS-CHWSQXEVSA-N 1 2 234.343 2.825 20 0 BFADLO CC(C)CC[N@H+](CCCO)c1ccccc1 ZINC000079919419 345057857 /nfs/dbraw/zinc/05/78/57/345057857.db2.gz SMUDIPNHXJJWPH-UHFFFAOYSA-N 1 2 221.344 2.922 20 0 BFADLO CC(C)CC[N@@H+](CCCO)c1ccccc1 ZINC000079919419 345057861 /nfs/dbraw/zinc/05/78/61/345057861.db2.gz SMUDIPNHXJJWPH-UHFFFAOYSA-N 1 2 221.344 2.922 20 0 BFADLO C[C@H]1CN(c2cc[nH+]cc2F)CCC1(F)F ZINC000641601181 362539674 /nfs/dbraw/zinc/53/96/74/362539674.db2.gz CMGWAAGLMCSMRT-QMMMGPOBSA-N 1 2 230.233 2.702 20 0 BFADLO Fc1c[nH+]ccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000641657746 362582435 /nfs/dbraw/zinc/58/24/35/362582435.db2.gz WPBVLKHUIMJTOE-ONGXEEELSA-N 1 2 206.264 2.600 20 0 BFADLO Cc1cc(NC(=O)CC2CCC2)cc[nH+]1 ZINC000080220846 345122798 /nfs/dbraw/zinc/12/27/98/345122798.db2.gz KVMGEEYVIKLEPN-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccccc2Cl)[C@@H]1C ZINC000156113602 345129105 /nfs/dbraw/zinc/12/91/05/345129105.db2.gz FWMFXFNSKKGWLG-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccccc2Cl)[C@@H]1C ZINC000156113602 345129107 /nfs/dbraw/zinc/12/91/07/345129107.db2.gz FWMFXFNSKKGWLG-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO CSc1cc(C)ccc1C[NH2+]Cc1ccon1 ZINC000634968761 345141644 /nfs/dbraw/zinc/14/16/44/345141644.db2.gz WSYKGCQANBJZDE-UHFFFAOYSA-N 1 2 248.351 2.995 20 0 BFADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)no1 ZINC000634975323 345150932 /nfs/dbraw/zinc/15/09/32/345150932.db2.gz WBUOIBDOQAVTDL-UHFFFAOYSA-N 1 2 229.283 2.561 20 0 BFADLO CCOC[C@H](C)Nc1ccc(C)[nH+]c1C ZINC000162947710 133538611 /nfs/dbraw/zinc/53/86/11/133538611.db2.gz FZRQBBAQUSDZAF-JTQLQIEISA-N 1 2 208.305 2.535 20 0 BFADLO Clc1csc(CNc2c[nH]c[nH+]2)c1 ZINC000307229529 345244189 /nfs/dbraw/zinc/24/41/89/345244189.db2.gz ZTNLULLFYWRDNQ-UHFFFAOYSA-N 1 2 213.693 2.737 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nccs2)o1 ZINC000041011790 178844822 /nfs/dbraw/zinc/84/48/22/178844822.db2.gz CRZYLHZVCZHUMN-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1ccc(C)cc1C ZINC000195736697 345304524 /nfs/dbraw/zinc/30/45/24/345304524.db2.gz XICHFOOKEHDMNC-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C)cc1C ZINC000195736697 345304525 /nfs/dbraw/zinc/30/45/25/345304525.db2.gz XICHFOOKEHDMNC-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@]2(F)c2ccccc2)cc[nH+]1 ZINC000425273453 192087608 /nfs/dbraw/zinc/08/76/08/192087608.db2.gz OKNUSQMVEWWTFP-TZMCWYRMSA-N 1 2 243.285 2.834 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C)CC2)[nH+]1 ZINC000080786995 345447416 /nfs/dbraw/zinc/44/74/16/345447416.db2.gz QZKNPJOUTNQOOT-JTQLQIEISA-N 1 2 244.342 2.893 20 0 BFADLO CN(CC1CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000080785353 345447459 /nfs/dbraw/zinc/44/74/59/345447459.db2.gz XXFVRWHSTCCPTI-UHFFFAOYSA-N 1 2 219.332 2.620 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCCCC2)[nH+]1 ZINC000080761271 345448723 /nfs/dbraw/zinc/44/87/23/345448723.db2.gz VWVNBCCFGUPHGR-UHFFFAOYSA-N 1 2 230.315 2.647 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(O)c2)oc1C ZINC000080923866 345451466 /nfs/dbraw/zinc/45/14/66/345451466.db2.gz VKLDTKCQUKKQFY-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(O)c2)oc1C ZINC000080923866 345451469 /nfs/dbraw/zinc/45/14/69/345451469.db2.gz VKLDTKCQUKKQFY-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO FCC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641659107 362584594 /nfs/dbraw/zinc/58/45/94/362584594.db2.gz MFERZPJUWDNGHD-JTQLQIEISA-N 1 2 226.270 2.797 20 0 BFADLO CC(C)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082277311 345501290 /nfs/dbraw/zinc/50/12/90/345501290.db2.gz GBBFMWXOUAWHRQ-NSHDSACASA-N 1 2 235.331 2.509 20 0 BFADLO C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(F)(F)F ZINC000336655452 187305215 /nfs/dbraw/zinc/30/52/15/187305215.db2.gz NUNKIXXVJDRTLC-BDAKNGLRSA-N 1 2 207.239 2.883 20 0 BFADLO CC[C@@H](CSC)N(C)c1cccc[nH+]1 ZINC000091022547 345580541 /nfs/dbraw/zinc/58/05/41/345580541.db2.gz UCKPUPMYRDTRGD-JTQLQIEISA-N 1 2 210.346 2.659 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1cncc(F)c1 ZINC000090720228 345574343 /nfs/dbraw/zinc/57/43/43/345574343.db2.gz XSISAJSHLYGDID-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H](c1ccccn1)N(C)c1cccc[nH+]1 ZINC000091475593 345605440 /nfs/dbraw/zinc/60/54/40/345605440.db2.gz IKNUSFZQIPZKBH-NSHDSACASA-N 1 2 213.284 2.674 20 0 BFADLO CCC(CC)CNc1cc[nH+]c2ccncc12 ZINC000444083285 537900478 /nfs/dbraw/zinc/90/04/78/537900478.db2.gz BRQCQANOTSXUOR-UHFFFAOYSA-N 1 2 229.327 2.900 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@@H]1CCCOC1)C(F)(F)F ZINC000336727562 187308516 /nfs/dbraw/zinc/30/85/16/187308516.db2.gz CADMMWKVUJRMHB-UWVGGRQHSA-N 1 2 239.281 2.590 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ncc[nH]1 ZINC000235203640 537902515 /nfs/dbraw/zinc/90/25/15/537902515.db2.gz XCPXWULMNMHDBL-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)CCC2 ZINC000093116384 345656996 /nfs/dbraw/zinc/65/69/96/345656996.db2.gz ABIFUMLQGFGTBU-AWEZNQCLSA-N 1 2 245.301 2.716 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cnc(C)o1 ZINC000641719318 362634220 /nfs/dbraw/zinc/63/42/20/362634220.db2.gz MLWMPEQSSBZZHX-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO Cc1cncc([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378859022 345690758 /nfs/dbraw/zinc/69/07/58/345690758.db2.gz NFAIONOHTWUGJI-VIFPVBQESA-N 1 2 214.259 2.696 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1ccsc1 ZINC000082761015 345726739 /nfs/dbraw/zinc/72/67/39/345726739.db2.gz UUVRQYZILSZKAN-LLVKDONJSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1ccsc1 ZINC000082761015 345726740 /nfs/dbraw/zinc/72/67/40/345726740.db2.gz UUVRQYZILSZKAN-LLVKDONJSA-N 1 2 241.356 2.522 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)nc1 ZINC000400840535 345827199 /nfs/dbraw/zinc/82/71/99/345827199.db2.gz WKHNBUFTYDBOPF-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cc(OCC[C@H](C)O)c2ccccc2[nH+]1 ZINC000418964282 192092709 /nfs/dbraw/zinc/09/27/09/192092709.db2.gz PMBLVMBZRMGIBH-NSHDSACASA-N 1 2 231.295 2.693 20 0 BFADLO Cc1ncc(C[NH2+]C2(c3ccccc3F)CC2)o1 ZINC000628218073 345948424 /nfs/dbraw/zinc/94/84/24/345948424.db2.gz SMTWUZRDFKPSFN-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO c1cc2cc(CNc3c[nH]c[nH+]3)ccc2o1 ZINC000381464775 345968672 /nfs/dbraw/zinc/96/86/72/345968672.db2.gz KWENCDBEKBGBJC-UHFFFAOYSA-N 1 2 213.240 2.768 20 0 BFADLO COCCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000419013372 192093509 /nfs/dbraw/zinc/09/35/09/192093509.db2.gz HIIHVNJGQFHMHL-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO Cc1cc(N[C@@H](CO)CC2CCCCC2)nc[nH+]1 ZINC000419015619 192093988 /nfs/dbraw/zinc/09/39/88/192093988.db2.gz NFZFPLFIWIYHSK-CYBMUJFWSA-N 1 2 249.358 2.528 20 0 BFADLO CC[C@H]([NH2+]Cc1ccsc1)C(F)F ZINC000449366681 201886847 /nfs/dbraw/zinc/88/68/47/201886847.db2.gz ZUOCRAKHMYCKEI-QMMMGPOBSA-N 1 2 205.273 2.881 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@@H]1CCOC1 ZINC000419000057 192096533 /nfs/dbraw/zinc/09/65/33/192096533.db2.gz VGDIJVUGADWTAG-LBPRGKRZSA-N 1 2 235.327 2.758 20 0 BFADLO CC(C)=C(C)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000635994681 346144066 /nfs/dbraw/zinc/14/40/66/346144066.db2.gz IDIHCSQZTUUGAJ-VXGBXAGGSA-N 1 2 247.342 2.752 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(F)cc1Cl ZINC000034937796 346108653 /nfs/dbraw/zinc/10/86/53/346108653.db2.gz OLLHFCMKKFFNNO-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO CCCNc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000193155902 187315702 /nfs/dbraw/zinc/31/57/02/187315702.db2.gz OTMRHZQCRSOCDS-UHFFFAOYSA-N 1 2 244.342 2.521 20 0 BFADLO Cc1ccc(CN(c2cc(C)[nH+]cn2)C2CC2)o1 ZINC000603384393 349941918 /nfs/dbraw/zinc/94/19/18/349941918.db2.gz CXGIQHRSKODESJ-UHFFFAOYSA-N 1 2 243.310 2.855 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C[C@@H]1F ZINC000628234752 346188547 /nfs/dbraw/zinc/18/85/47/346188547.db2.gz LSOXFTLWTYLCEI-CABZTGNLSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)o2)C[C@@H]1F ZINC000628234752 346188549 /nfs/dbraw/zinc/18/85/49/346188549.db2.gz LSOXFTLWTYLCEI-CABZTGNLSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1[nH]c(CN(C)[C@@H](C)c2cccnc2)[nH+]c1C ZINC000628237515 346193100 /nfs/dbraw/zinc/19/31/00/346193100.db2.gz PUFYXHXJJBJTCV-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C[N@H+](CCO)CC(F)F ZINC000628256276 346254315 /nfs/dbraw/zinc/25/43/15/346254315.db2.gz PZXPQDNWIGTFNM-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C[N@@H+](CCO)CC(F)F ZINC000628256276 346254316 /nfs/dbraw/zinc/25/43/16/346254316.db2.gz PZXPQDNWIGTFNM-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO CC(C)(C)n1cc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000684413294 488308965 /nfs/dbraw/zinc/30/89/65/488308965.db2.gz DKDSRCGEXKXHRP-UHFFFAOYSA-N 1 2 245.317 2.771 20 0 BFADLO c1[nH]cc(N[C@@H]2CCCC[C@H]2C2CC2)[nH+]1 ZINC000309087414 349951136 /nfs/dbraw/zinc/95/11/36/349951136.db2.gz ZNRIYLOCBYMMHF-WDEREUQCSA-N 1 2 205.305 2.790 20 0 BFADLO Cc1ccc(C)c(CNc2cc(CO)cc[nH+]2)c1 ZINC000641764272 362695420 /nfs/dbraw/zinc/69/54/20/362695420.db2.gz STGHQEBSNMKMIB-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1cccc(CCCNc2cccc(F)n2)[nH+]1 ZINC000286588059 179055842 /nfs/dbraw/zinc/05/58/42/179055842.db2.gz NULWAZCIRDFRPP-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC000636330227 346398427 /nfs/dbraw/zinc/39/84/27/346398427.db2.gz OKJBBWZAYFETEU-NXEZZACHSA-N 1 2 247.323 2.522 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC000636330227 346398430 /nfs/dbraw/zinc/39/84/30/346398430.db2.gz OKJBBWZAYFETEU-NXEZZACHSA-N 1 2 247.323 2.522 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cocn2)c1 ZINC000277972224 179069106 /nfs/dbraw/zinc/06/91/06/179069106.db2.gz JQWAOAGUERKHPW-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cocn2)c1 ZINC000277972224 179069108 /nfs/dbraw/zinc/06/91/08/179069108.db2.gz JQWAOAGUERKHPW-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](C)C(F)F)n1 ZINC000641792490 362727310 /nfs/dbraw/zinc/72/73/10/362727310.db2.gz WMAIFXOFQOSKPH-UWVGGRQHSA-N 1 2 245.317 2.638 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)C(F)F ZINC000641793287 362728563 /nfs/dbraw/zinc/72/85/63/362728563.db2.gz IBPZXZLFHOMWKS-SECBINFHSA-N 1 2 231.290 2.516 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2ncccc21)C(F)F ZINC000641791024 362730127 /nfs/dbraw/zinc/73/01/27/362730127.db2.gz BIJBFJZLQPVXDU-LDYMZIIASA-N 1 2 226.270 2.702 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(F)F)cn1 ZINC000641791334 362731344 /nfs/dbraw/zinc/73/13/44/362731344.db2.gz HHIDDZFNIBLTTQ-IUCAKERBSA-N 1 2 231.290 2.768 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(F)F)cn1 ZINC000641791332 362731700 /nfs/dbraw/zinc/73/17/00/362731700.db2.gz HHIDDZFNIBLTTQ-BDAKNGLRSA-N 1 2 231.290 2.768 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(C)c2)n1 ZINC000284218388 179088230 /nfs/dbraw/zinc/08/82/30/179088230.db2.gz ZXKKUKQVHNVUCD-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C(F)F ZINC000641791836 362732810 /nfs/dbraw/zinc/73/28/10/362732810.db2.gz NWOHGEKTMLEUMU-PRHODGIISA-N 1 2 241.281 2.926 20 0 BFADLO C[C@H]([NH2+]Cc1cc2cnccc2o1)C(F)F ZINC000641794594 362735667 /nfs/dbraw/zinc/73/56/67/362735667.db2.gz WJESSMPUZOUFTM-ZETCQYMHSA-N 1 2 226.226 2.571 20 0 BFADLO Cc1cc(C[NH+]2CC(OC(F)F)C2)c(C)s1 ZINC000574967698 346473613 /nfs/dbraw/zinc/47/36/13/346473613.db2.gz FEQKAFZPYMETDO-UHFFFAOYSA-N 1 2 247.310 2.788 20 0 BFADLO Cc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000040727273 179102267 /nfs/dbraw/zinc/10/22/67/179102267.db2.gz VWOJBRNTZRACEY-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ncc(C)o1 ZINC000162531284 346526071 /nfs/dbraw/zinc/52/60/71/346526071.db2.gz FUQKCTVYOFXVCR-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ncc(C)o1 ZINC000162531284 346526074 /nfs/dbraw/zinc/52/60/74/346526074.db2.gz FUQKCTVYOFXVCR-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](Nc1ccc(OC)cc1)c1[nH+]ccn1C ZINC000182678039 347102821 /nfs/dbraw/zinc/10/28/21/347102821.db2.gz KIIRMAGHDBLIPL-CYBMUJFWSA-N 1 2 245.326 2.992 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cncn1C ZINC000177259776 346595913 /nfs/dbraw/zinc/59/59/13/346595913.db2.gz JVMHEXKZYDZPQQ-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cncn1C ZINC000177259776 346595915 /nfs/dbraw/zinc/59/59/15/346595915.db2.gz JVMHEXKZYDZPQQ-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCCCO1 ZINC000580202664 346659519 /nfs/dbraw/zinc/65/95/19/346659519.db2.gz NNGRFEIBTCDQTM-UHFFFAOYSA-N 1 2 249.314 2.648 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000176622528 365848362 /nfs/dbraw/zinc/84/83/62/365848362.db2.gz POSKPBWMRRZYHU-CHWSQXEVSA-N 1 2 244.338 2.991 20 0 BFADLO Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1F ZINC000294301918 179155267 /nfs/dbraw/zinc/15/52/67/179155267.db2.gz ZVZSJHYKAHUUDO-LLVKDONJSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1c[nH+]c(CNc2cccc(C)c2C)n1C ZINC000341153995 179151193 /nfs/dbraw/zinc/15/11/93/179151193.db2.gz SQTDCQXYVZVTHX-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO CCOc1ccccc1Nc1[nH+]cccc1N ZINC000020317608 346782238 /nfs/dbraw/zinc/78/22/38/346782238.db2.gz CNZOFOVWLOCXRD-UHFFFAOYSA-N 1 2 229.283 2.806 20 0 BFADLO CCc1cccnc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000378663454 346798500 /nfs/dbraw/zinc/79/85/00/346798500.db2.gz DFJLOLJCJFYQNA-SECBINFHSA-N 1 2 228.286 2.950 20 0 BFADLO COC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000183251576 347123130 /nfs/dbraw/zinc/12/31/30/347123130.db2.gz LRXLBOIVOGRXRD-CQSZACIVSA-N 1 2 249.354 2.845 20 0 BFADLO CCOC(=O)C1(C)CC(Nc2c[nH+]cc(C)c2)C1 ZINC000601273536 347135145 /nfs/dbraw/zinc/13/51/45/347135145.db2.gz KGBDGPUHGFGLAJ-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO CCOC(=O)C1(C)CC(Nc2ccc[nH+]c2C)C1 ZINC000601273587 347135301 /nfs/dbraw/zinc/13/53/01/347135301.db2.gz KXVFTMKPPXFOTH-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1nn(C)c(C)c1OCc1ccc(C)[nH+]c1C ZINC000185374313 347198848 /nfs/dbraw/zinc/19/88/48/347198848.db2.gz NUHHKJUFSZBSKD-UHFFFAOYSA-N 1 2 245.326 2.628 20 0 BFADLO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275601195 179196508 /nfs/dbraw/zinc/19/65/08/179196508.db2.gz JDZHYAXAQUOZKZ-RYUDHWBXSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2cccc(C)c2C1 ZINC000277461427 179216021 /nfs/dbraw/zinc/21/60/21/179216021.db2.gz LKBZXLZTJYOPGN-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000277461427 179216025 /nfs/dbraw/zinc/21/60/25/179216025.db2.gz LKBZXLZTJYOPGN-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1nc(NC[C@@](C)(O)C2CCCCC2)cc[nH+]1 ZINC000189578730 347305241 /nfs/dbraw/zinc/30/52/41/347305241.db2.gz BJWMNDUBIRQJEK-CQSZACIVSA-N 1 2 249.358 2.528 20 0 BFADLO OCC[N@H+](CCCC1CCCC1)CC(F)F ZINC000193402113 347396822 /nfs/dbraw/zinc/39/68/22/347396822.db2.gz VYRUHWJDHQSZHZ-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO OCC[N@@H+](CCCC1CCCC1)CC(F)F ZINC000193402113 347396826 /nfs/dbraw/zinc/39/68/26/347396826.db2.gz VYRUHWJDHQSZHZ-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO C[C@H]1CCC[C@H](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616924329 347454706 /nfs/dbraw/zinc/45/47/06/347454706.db2.gz FDKXKINUIZLSDI-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H]1CCC[C@H](CC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616924329 347454709 /nfs/dbraw/zinc/45/47/09/347454709.db2.gz FDKXKINUIZLSDI-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H](CC1CCCC1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925292 347455893 /nfs/dbraw/zinc/45/58/93/347455893.db2.gz BZRDHZQWYHCFOZ-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H](CC1CCCC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925292 347455897 /nfs/dbraw/zinc/45/58/97/347455897.db2.gz BZRDHZQWYHCFOZ-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924479 347456169 /nfs/dbraw/zinc/45/61/69/347456169.db2.gz LELBASTXJNPHOA-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924479 347456172 /nfs/dbraw/zinc/45/61/72/347456172.db2.gz LELBASTXJNPHOA-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO Clc1snnc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000590788535 347557686 /nfs/dbraw/zinc/55/76/86/347557686.db2.gz GEVNQWGADPOXJH-SECBINFHSA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000590788535 347557689 /nfs/dbraw/zinc/55/76/89/347557689.db2.gz GEVNQWGADPOXJH-SECBINFHSA-N 1 2 243.763 2.566 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343430319 133679561 /nfs/dbraw/zinc/67/95/61/133679561.db2.gz UKSDHYMDRLYINY-NEPJUHHUSA-N 1 2 249.358 2.791 20 0 BFADLO COC1(C)C[NH+](Cc2ccccc2Cl)C1 ZINC000198367091 347634382 /nfs/dbraw/zinc/63/43/82/347634382.db2.gz GQFDPMZVNBWDSV-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO CO[C@H](C)CSCCc1cccc(C)[nH+]1 ZINC000592454286 347782378 /nfs/dbraw/zinc/78/23/78/347782378.db2.gz PWTVMFXDQOWTRQ-LLVKDONJSA-N 1 2 225.357 2.701 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000593277367 347877649 /nfs/dbraw/zinc/87/76/49/347877649.db2.gz BIFHRYFVHQXVEQ-WCQYABFASA-N 1 2 246.354 2.967 20 0 BFADLO CSC1(C[N@@H+]2CCCC(F)(F)C2)CC1 ZINC000593656796 347923301 /nfs/dbraw/zinc/92/33/01/347923301.db2.gz PNTJNJYRQZAOMI-UHFFFAOYSA-N 1 2 221.316 2.613 20 0 BFADLO CSC1(C[N@H+]2CCCC(F)(F)C2)CC1 ZINC000593656796 347923302 /nfs/dbraw/zinc/92/33/02/347923302.db2.gz PNTJNJYRQZAOMI-UHFFFAOYSA-N 1 2 221.316 2.613 20 0 BFADLO Cc1ccccc1[C@H]([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000294916830 179345097 /nfs/dbraw/zinc/34/50/97/179345097.db2.gz GFKOMJICHPHWOM-OAHLLOKOSA-N 1 2 241.338 2.959 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000595463604 348257250 /nfs/dbraw/zinc/25/72/50/348257250.db2.gz AVFVOGLELOMCHL-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000595463604 348257252 /nfs/dbraw/zinc/25/72/52/348257252.db2.gz AVFVOGLELOMCHL-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO Cc1cccnc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000180418552 179376216 /nfs/dbraw/zinc/37/62/16/179376216.db2.gz VRRVYKHUZXXZCR-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cccnc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000180418552 179376217 /nfs/dbraw/zinc/37/62/17/179376217.db2.gz VRRVYKHUZXXZCR-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000419286812 192118458 /nfs/dbraw/zinc/11/84/58/192118458.db2.gz VTDKXQQPJNZVTJ-WDEREUQCSA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@@H](CC(C)C)C[N@H+]1CCC[C@@H]1C(F)F ZINC000419286812 192118460 /nfs/dbraw/zinc/11/84/60/192118460.db2.gz VTDKXQQPJNZVTJ-WDEREUQCSA-N 1 2 235.318 2.777 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)c1nccs1 ZINC000389639430 538000736 /nfs/dbraw/zinc/00/07/36/538000736.db2.gz PUFCJVZOWWGADI-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cccnc1[C@@H]([NH2+]Cc1c[nH]cn1)C(C)C ZINC000172037897 179397724 /nfs/dbraw/zinc/39/77/24/179397724.db2.gz YRQQEQODHUNUGD-ZDUSSCGKSA-N 1 2 244.342 2.600 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2oc(C)nc2C)o1 ZINC000628300506 348395010 /nfs/dbraw/zinc/39/50/10/348395010.db2.gz JLJFPPCBIXZMJQ-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC1=CCCC1 ZINC000596047317 348429606 /nfs/dbraw/zinc/42/96/06/348429606.db2.gz PJWXDRHXOGYDMC-CYBMUJFWSA-N 1 2 239.359 2.664 20 0 BFADLO CC1(CSCc2cn3ccccc3[nH+]2)COC1 ZINC000596343195 348501049 /nfs/dbraw/zinc/50/10/49/348501049.db2.gz DLQMFANFCYLNMG-UHFFFAOYSA-N 1 2 248.351 2.604 20 0 BFADLO c1cn(CCSCC2CC=CC2)c[nH+]1 ZINC000596412516 348538065 /nfs/dbraw/zinc/53/80/65/348538065.db2.gz HRKUROZQIITWER-UHFFFAOYSA-N 1 2 208.330 2.583 20 0 BFADLO CS[C@@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000596616289 348594311 /nfs/dbraw/zinc/59/43/11/348594311.db2.gz GRPSUGBGHNZLCK-VIFPVBQESA-N 1 2 249.339 2.788 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000121919100 179706630 /nfs/dbraw/zinc/70/66/30/179706630.db2.gz OFKNOKXUPJHGQN-PWSUYJOCSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cccc(F)c1F ZINC000107038567 179711732 /nfs/dbraw/zinc/71/17/32/179711732.db2.gz SBNSWUMWNSWSAC-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO Clc1ccc(CNc2cc[nH+]c(C3CC3)n2)o1 ZINC000599442594 349179510 /nfs/dbraw/zinc/17/95/10/349179510.db2.gz RHRFPEGXMXRMPV-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO Cc1csc([C@H](C)CNc2cc[nH+]c(C)n2)n1 ZINC000182593762 179794812 /nfs/dbraw/zinc/79/48/12/179794812.db2.gz LMBDIIGNJMCNBM-MRVPVSSYSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1cscc1CNc1cc[nH+]c(C2CC2)n1 ZINC000362661165 179804483 /nfs/dbraw/zinc/80/44/83/179804483.db2.gz CLRBSHHNFUDTRB-UHFFFAOYSA-N 1 2 245.351 2.758 20 0 BFADLO CC[C@@H]([NH2+]CC(=O)OC)c1cc(C)ccc1C ZINC000599640552 349238383 /nfs/dbraw/zinc/23/83/83/349238383.db2.gz JGWXDBFDSPXPLU-CYBMUJFWSA-N 1 2 235.327 2.517 20 0 BFADLO Cc1ccc(C[S@](=O)CC2CCC2)c(C)[nH+]1 ZINC000601912591 349377954 /nfs/dbraw/zinc/37/79/54/349377954.db2.gz OHBJCEWZJARWGW-MRXNPFEDSA-N 1 2 237.368 2.747 20 0 BFADLO O=C(CC1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000603785480 350032734 /nfs/dbraw/zinc/03/27/34/350032734.db2.gz QEYDSHXOFVMUTB-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CSCc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000602017500 349418228 /nfs/dbraw/zinc/41/82/28/349418228.db2.gz NXARIUIPXGEROJ-UHFFFAOYSA-N 1 2 248.351 2.827 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccccn2)oc1C ZINC000037909396 179972156 /nfs/dbraw/zinc/97/21/56/179972156.db2.gz VPLXRKMWTCYPNL-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO C[C@@H](F)CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631282003 350057632 /nfs/dbraw/zinc/05/76/32/350057632.db2.gz SNUPOTAEMKIPEN-MRVPVSSYSA-N 1 2 248.305 2.947 20 0 BFADLO COCCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131584155 191016737 /nfs/dbraw/zinc/01/67/37/191016737.db2.gz PLGWPOFGIWSBSA-UHFFFAOYSA-N 1 2 240.253 2.741 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@H]2C)[nH+]1 ZINC000336366072 180004030 /nfs/dbraw/zinc/00/40/30/180004030.db2.gz OJTOHKKGHKGEAY-RKDXNWHRSA-N 1 2 230.315 2.501 20 0 BFADLO Cc1cc(C)c(CNC(=O)c2ccccc2)c[nH+]1 ZINC000397101783 350090111 /nfs/dbraw/zinc/09/01/11/350090111.db2.gz PSFZNEDCKMDFBL-UHFFFAOYSA-N 1 2 240.306 2.628 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2C=CCCC2)[nH+]1 ZINC000342240251 180023153 /nfs/dbraw/zinc/02/31/53/180023153.db2.gz XJSNRZVTFMWUOL-SNVBAGLBSA-N 1 2 228.299 2.787 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H]2F)[nH+]1 ZINC000338842644 180024948 /nfs/dbraw/zinc/02/49/48/180024948.db2.gz KMAYLCDOJPJYNJ-UWVGGRQHSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000377878489 180034337 /nfs/dbraw/zinc/03/43/37/180034337.db2.gz JHRVTMLBZSODHE-KOLCDFICSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000377878489 180034340 /nfs/dbraw/zinc/03/43/40/180034340.db2.gz JHRVTMLBZSODHE-KOLCDFICSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@H](C)[N@H+](C)Cc2ccccc2C)no1 ZINC000289759704 180046614 /nfs/dbraw/zinc/04/66/14/180046614.db2.gz JNXPAOPMJIRAGT-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc([C@H](C)[N@@H+](C)Cc2ccccc2C)no1 ZINC000289759704 180046616 /nfs/dbraw/zinc/04/66/16/180046616.db2.gz JNXPAOPMJIRAGT-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC(C3CC3)CC2)no1 ZINC000366397324 180047543 /nfs/dbraw/zinc/04/75/43/180047543.db2.gz BOHDIJAUUPONPI-VIFPVBQESA-N 1 2 235.331 2.561 20 0 BFADLO Cc1nc(N(C)C2CCC2)c2c([nH+]1)CCCC2 ZINC000302068882 180067082 /nfs/dbraw/zinc/06/70/82/180067082.db2.gz DNPGUEICAGEDSR-UHFFFAOYSA-N 1 2 231.343 2.653 20 0 BFADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccno2)cs1 ZINC000275031458 180056685 /nfs/dbraw/zinc/05/66/85/180056685.db2.gz CGFNCUHKVRBAAL-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccno2)cs1 ZINC000275031458 180056687 /nfs/dbraw/zinc/05/66/87/180056687.db2.gz CGFNCUHKVRBAAL-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000339228114 180130954 /nfs/dbraw/zinc/13/09/54/180130954.db2.gz ONLQFWYCVKERLT-ZYHUDNBSSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccco2)s1 ZINC000299076571 180140730 /nfs/dbraw/zinc/14/07/30/180140730.db2.gz XTINFRKFESSRAY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccco2)s1 ZINC000299076571 180140734 /nfs/dbraw/zinc/14/07/34/180140734.db2.gz XTINFRKFESSRAY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ncc(C[N@@H+]2CCn3cccc3[C@@H]2C)s1 ZINC000336343432 180145983 /nfs/dbraw/zinc/14/59/83/180145983.db2.gz UMPXLKGMEGAKGB-JTQLQIEISA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncc(C[N@H+]2CCn3cccc3[C@@H]2C)s1 ZINC000336343432 180145984 /nfs/dbraw/zinc/14/59/84/180145984.db2.gz UMPXLKGMEGAKGB-JTQLQIEISA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncc(C[N@@H+]2CCn3cccc3[C@H]2C)s1 ZINC000336343433 180146755 /nfs/dbraw/zinc/14/67/55/180146755.db2.gz UMPXLKGMEGAKGB-SNVBAGLBSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncc(C[N@H+]2CCn3cccc3[C@H]2C)s1 ZINC000336343433 180146756 /nfs/dbraw/zinc/14/67/56/180146756.db2.gz UMPXLKGMEGAKGB-SNVBAGLBSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cc(NC[C@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000604758580 350184171 /nfs/dbraw/zinc/18/41/71/350184171.db2.gz IGIXJFKUXPRCGB-VIFPVBQESA-N 1 2 231.343 2.542 20 0 BFADLO CCCCNc1nc(C)[nH+]c(NCCCC)n1 ZINC000002013092 350184515 /nfs/dbraw/zinc/18/45/15/350184515.db2.gz GPRRIAYTHVXFNY-UHFFFAOYSA-N 1 2 237.351 2.604 20 0 BFADLO Cc1nc(N2C[C@@H](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000266226019 180195265 /nfs/dbraw/zinc/19/52/65/180195265.db2.gz RQWLTMZPNBFNJF-ABAIWWIYSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1nc(N2C[C@@H](C)CCC[C@H]2C)cc[nH+]1 ZINC000361113028 180195438 /nfs/dbraw/zinc/19/54/38/180195438.db2.gz XELQLGJZRMYGBP-WDEREUQCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(NCCC2=CCCC2)cc[nH+]1 ZINC000157439471 180198619 /nfs/dbraw/zinc/19/86/19/180198619.db2.gz BLRJSYMOEUPVSG-UHFFFAOYSA-N 1 2 203.289 2.697 20 0 BFADLO Cc1nc(NCC2CCCCC2)cc[nH+]1 ZINC000054935802 180199594 /nfs/dbraw/zinc/19/95/94/180199594.db2.gz PNPYDDVOIPILMK-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1nc(NCc2cccc(F)c2)cc[nH+]1 ZINC000054935768 180200036 /nfs/dbraw/zinc/20/00/36/180200036.db2.gz KQAICYQNWGHNOM-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1nc(NC[C@@H]2Cc3ccccc32)cc[nH+]1 ZINC000054935890 180200633 /nfs/dbraw/zinc/20/06/33/180200633.db2.gz WCQDXPOFCXKONF-LBPRGKRZSA-N 1 2 225.295 2.537 20 0 BFADLO Cc1nc(NC[C@@]2(O)CCCC(C)(C)C2)cc[nH+]1 ZINC000302516940 180201038 /nfs/dbraw/zinc/20/10/38/180201038.db2.gz VSJQURCRTSKIHL-CQSZACIVSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1nc(NCc2ccccc2F)cc[nH+]1 ZINC000054935736 180201365 /nfs/dbraw/zinc/20/13/65/180201365.db2.gz UMMITYPVAVQOKS-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1nc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000270772969 180203293 /nfs/dbraw/zinc/20/32/93/180203293.db2.gz MIYZEBJCJRRZJG-VXGBXAGGSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000279114941 180204765 /nfs/dbraw/zinc/20/47/65/180204765.db2.gz PMZIFAHLFVKYNS-QWHCGFSZSA-N 1 2 243.285 2.892 20 0 BFADLO Cc1nc(N[C@H](C)c2ccccc2)cc[nH+]1 ZINC000054935644 180205839 /nfs/dbraw/zinc/20/58/39/180205839.db2.gz QGRJQAXTKDWJJP-SNVBAGLBSA-N 1 2 213.284 2.958 20 0 BFADLO Cc1nc(N[C@@H]2c3ccccc3O[C@@H]2C)cc[nH+]1 ZINC000289074424 180206203 /nfs/dbraw/zinc/20/62/03/180206203.db2.gz NRKKSZBJFNSPIR-OTYXRUKQSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1nc(N[C@H](C)Cc2cccs2)cc[nH+]1 ZINC000070852097 180206275 /nfs/dbraw/zinc/20/62/75/180206275.db2.gz NTRMHXNAKCRWME-SECBINFHSA-N 1 2 233.340 2.890 20 0 BFADLO Cc1nc(NCCCC2CCCCC2)cc[nH+]1 ZINC000361162346 180180016 /nfs/dbraw/zinc/18/00/16/180180016.db2.gz SJWLFTNKGIYRPG-UHFFFAOYSA-N 1 2 233.359 2.979 20 0 BFADLO Cc1nc(N[C@H](C)CCC(C)(C)C)cc[nH+]1 ZINC000336730874 180182048 /nfs/dbraw/zinc/18/20/48/180182048.db2.gz DZHMFGBDXAPEQB-SNVBAGLBSA-N 1 2 221.348 2.834 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@@H]2CC2(C)C)no1 ZINC000290066759 180222544 /nfs/dbraw/zinc/22/25/44/180222544.db2.gz JTMULULRNMBDDS-NSHDSACASA-N 1 2 243.310 2.877 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000049981254 350272651 /nfs/dbraw/zinc/27/26/51/350272651.db2.gz BSQNJNPVQSWTFM-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000049981254 350272654 /nfs/dbraw/zinc/27/26/54/350272654.db2.gz BSQNJNPVQSWTFM-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CCc1cc(NCc2ccccc2F)nc[nH+]1 ZINC000040765056 350394357 /nfs/dbraw/zinc/39/43/57/350394357.db2.gz XOBLBZHTBUHOPO-UHFFFAOYSA-N 1 2 231.274 2.790 20 0 BFADLO CC1(C)C[C@H](Nc2cccc[nH+]2)C(C)(C)O1 ZINC000134147717 191107414 /nfs/dbraw/zinc/10/74/14/191107414.db2.gz HGCKFFQRUSWXIK-JTQLQIEISA-N 1 2 220.316 2.840 20 0 BFADLO CC1CCC(C[NH2+]CC(F)(F)F)CC1 ZINC000063145442 350573954 /nfs/dbraw/zinc/57/39/54/350573954.db2.gz LVPWBCYYYKEUDX-UHFFFAOYSA-N 1 2 209.255 2.965 20 0 BFADLO C[C@H](CC(=O)N1CCCCC[C@H]1C)n1cc[nH+]c1 ZINC000577518727 365977778 /nfs/dbraw/zinc/97/77/78/365977778.db2.gz JZRBVIKBTLGUKC-CHWSQXEVSA-N 1 2 249.358 2.625 20 0 BFADLO CC(C)Oc1ccccc1C[NH2+]Cc1ccno1 ZINC000231882693 350643620 /nfs/dbraw/zinc/64/36/20/350643620.db2.gz LZWPIHSWTWFGDI-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(C)c2)n1 ZINC000073637445 350760088 /nfs/dbraw/zinc/76/00/88/350760088.db2.gz YNMWBXSTEFRQNW-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ncc(C[N@H+](C)C/C=C/Cl)s1 ZINC000052101148 350937609 /nfs/dbraw/zinc/93/76/09/350937609.db2.gz HIKXFKANFITHMB-ONEGZZNKSA-N 1 2 216.737 2.636 20 0 BFADLO Cc1ncc(C[N@@H+](C)C/C=C/Cl)s1 ZINC000052101148 350937612 /nfs/dbraw/zinc/93/76/12/350937612.db2.gz HIKXFKANFITHMB-ONEGZZNKSA-N 1 2 216.737 2.636 20 0 BFADLO c1ccc2c(c1)cc[nH+]c2N1CCSCC1 ZINC000623866879 350947550 /nfs/dbraw/zinc/94/75/50/350947550.db2.gz JGUTVHUEBNPSKZ-UHFFFAOYSA-N 1 2 230.336 2.788 20 0 BFADLO c1cc(C[N@@H+]2CCCc3sccc3C2)no1 ZINC000607152220 351030443 /nfs/dbraw/zinc/03/04/43/351030443.db2.gz VJYHKBBPYVVUNO-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO c1cc(C[N@H+]2CCCc3sccc3C2)no1 ZINC000607152220 351030444 /nfs/dbraw/zinc/03/04/44/351030444.db2.gz VJYHKBBPYVVUNO-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)C(C)C ZINC000265213898 351265208 /nfs/dbraw/zinc/26/52/08/351265208.db2.gz MEAZZUHNTWKCPS-JTQLQIEISA-N 1 2 220.316 2.875 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)CSC ZINC000265171757 351264502 /nfs/dbraw/zinc/26/45/02/351264502.db2.gz DVRGOAVSBLPYMO-VIFPVBQESA-N 1 2 238.356 2.582 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=C1CCC1 ZINC000268028005 351325963 /nfs/dbraw/zinc/32/59/63/351325963.db2.gz FDJJXEWAUBQZCH-UHFFFAOYSA-N 1 2 216.284 2.693 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc(Cl)c1F ZINC000036804756 358462483 /nfs/dbraw/zinc/46/24/83/358462483.db2.gz NRRQTWAHXINXDA-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO CCCC[C@@H](COC)[NH2+]C1(C(F)F)CC1 ZINC000336724447 351361810 /nfs/dbraw/zinc/36/18/10/351361810.db2.gz FUTHJWYIPSSJJM-VIFPVBQESA-N 1 2 221.291 2.579 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000276131917 351611267 /nfs/dbraw/zinc/61/12/67/351611267.db2.gz CVJWPUGIQCDZJE-VIFPVBQESA-N 1 2 248.248 2.837 20 0 BFADLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000276131917 351611269 /nfs/dbraw/zinc/61/12/69/351611269.db2.gz CVJWPUGIQCDZJE-VIFPVBQESA-N 1 2 248.248 2.837 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H](C)Cc1ccsc1 ZINC000577768766 366056142 /nfs/dbraw/zinc/05/61/42/366056142.db2.gz PCULEBUQPYHVHY-SNVBAGLBSA-N 1 2 247.367 2.620 20 0 BFADLO CC(C)[N@H+](Cc1ccns1)Cc1ccccn1 ZINC000637956137 351831437 /nfs/dbraw/zinc/83/14/37/351831437.db2.gz QQMLGXVSNRXKNQ-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1ccns1)Cc1ccccn1 ZINC000637956137 351831441 /nfs/dbraw/zinc/83/14/41/351831441.db2.gz QQMLGXVSNRXKNQ-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO c1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)sn1 ZINC000637992099 351868679 /nfs/dbraw/zinc/86/86/79/351868679.db2.gz QPARWMMSDPQFCY-NSHDSACASA-N 1 2 248.355 2.593 20 0 BFADLO CCC[C@H](C[N@H+](CCC)CC(F)F)OC ZINC000637992799 351870007 /nfs/dbraw/zinc/87/00/07/351870007.db2.gz IKRXDHJGYGAAEY-SNVBAGLBSA-N 1 2 223.307 2.779 20 0 BFADLO CCC[C@H](C[N@@H+](CCC)CC(F)F)OC ZINC000637992799 351870009 /nfs/dbraw/zinc/87/00/09/351870009.db2.gz IKRXDHJGYGAAEY-SNVBAGLBSA-N 1 2 223.307 2.779 20 0 BFADLO Cc1ncsc1C[N@H+](C)Cc1ccns1 ZINC000638022712 351898892 /nfs/dbraw/zinc/89/88/92/351898892.db2.gz SCXPUHDCNOFIAP-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ncsc1C[N@@H+](C)Cc1ccns1 ZINC000638022712 351898894 /nfs/dbraw/zinc/89/88/94/351898894.db2.gz SCXPUHDCNOFIAP-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO CCCC[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000281810075 351911266 /nfs/dbraw/zinc/91/12/66/351911266.db2.gz FZHVUSJXKLXCQB-JTQLQIEISA-N 1 2 236.315 2.855 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2C)[nH]1 ZINC000411124922 191159518 /nfs/dbraw/zinc/15/95/18/191159518.db2.gz IEFMTMOPVBTSAO-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2C)[nH]1 ZINC000411124922 191159519 /nfs/dbraw/zinc/15/95/19/191159519.db2.gz IEFMTMOPVBTSAO-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO CC(C)COCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110121080 187632242 /nfs/dbraw/zinc/63/22/42/187632242.db2.gz WDDUWCADFIBKAX-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO CC[N@H+](Cc1cocn1)[C@@H](C)c1cccnc1 ZINC000290494659 352228348 /nfs/dbraw/zinc/22/83/48/352228348.db2.gz OTDGLDOEMJJRDN-NSHDSACASA-N 1 2 231.299 2.653 20 0 BFADLO CC[N@@H+](Cc1cocn1)[C@@H](C)c1cccnc1 ZINC000290494659 352228350 /nfs/dbraw/zinc/22/83/50/352228350.db2.gz OTDGLDOEMJJRDN-NSHDSACASA-N 1 2 231.299 2.653 20 0 BFADLO CC[N@H+](Cc1cocn1)[C@H](C)c1cccnc1 ZINC000290494656 352228405 /nfs/dbraw/zinc/22/84/05/352228405.db2.gz OTDGLDOEMJJRDN-LLVKDONJSA-N 1 2 231.299 2.653 20 0 BFADLO CC[N@@H+](Cc1cocn1)[C@H](C)c1cccnc1 ZINC000290494656 352228409 /nfs/dbraw/zinc/22/84/09/352228409.db2.gz OTDGLDOEMJJRDN-LLVKDONJSA-N 1 2 231.299 2.653 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(CCF)CC1 ZINC000291986850 352297337 /nfs/dbraw/zinc/29/73/37/352297337.db2.gz GGRCMBCTIBVJED-UHFFFAOYSA-N 1 2 236.290 2.722 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1[nH]cc[nH+]1 ZINC000529053257 352371985 /nfs/dbraw/zinc/37/19/85/352371985.db2.gz RZADDHCJJUTBMK-WDEREUQCSA-N 1 2 247.342 2.557 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCc3ccc(F)cc32)o1 ZINC000638544019 352375622 /nfs/dbraw/zinc/37/56/22/352375622.db2.gz SFLQENQRVIPAAP-CYBMUJFWSA-N 1 2 246.285 2.899 20 0 BFADLO CC[C@@H]1CCC[C@@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000340573756 352479034 /nfs/dbraw/zinc/47/90/34/352479034.db2.gz FUMAXOXFJOFUQB-CHWSQXEVSA-N 1 2 248.370 2.624 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411864582 191223305 /nfs/dbraw/zinc/22/33/05/191223305.db2.gz RVYWQMPPGLDEQP-OAHLLOKOSA-N 1 2 249.329 2.827 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411864582 191223308 /nfs/dbraw/zinc/22/33/08/191223308.db2.gz RVYWQMPPGLDEQP-OAHLLOKOSA-N 1 2 249.329 2.827 20 0 BFADLO Clc1ccsc1CNc1c[nH]c[nH+]1 ZINC000307531529 352638155 /nfs/dbraw/zinc/63/81/55/352638155.db2.gz XMCGNGMYABYXMZ-UHFFFAOYSA-N 1 2 213.693 2.737 20 0 BFADLO CCc1nc(Nc2ccccc2)cc(C)[nH+]1 ZINC000341260351 352699386 /nfs/dbraw/zinc/69/93/86/352699386.db2.gz MZAKXBQBKPOJQJ-UHFFFAOYSA-N 1 2 213.284 2.513 20 0 BFADLO Cc1nc(NCCCCc2ccccc2)cc[nH+]1 ZINC000608078874 352701050 /nfs/dbraw/zinc/70/10/50/352701050.db2.gz XHKXDACEAPTBNX-UHFFFAOYSA-N 1 2 241.338 2.642 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@H+](CC[C@H](C)F)C2 ZINC000411940942 191230976 /nfs/dbraw/zinc/23/09/76/191230976.db2.gz ICRBCUYDFSNCMH-JTQLQIEISA-N 1 2 235.302 2.953 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@@H+](CC[C@H](C)F)C2 ZINC000411940942 191230978 /nfs/dbraw/zinc/23/09/78/191230978.db2.gz ICRBCUYDFSNCMH-JTQLQIEISA-N 1 2 235.302 2.953 20 0 BFADLO COCC1(CNc2ccc[nH+]c2C)CCC1 ZINC000638787121 352742166 /nfs/dbraw/zinc/74/21/66/352742166.db2.gz UIXSPPBNGDLWNA-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000638787596 352743454 /nfs/dbraw/zinc/74/34/54/352743454.db2.gz VOCYIRBAOMFJMT-PSASIEDQSA-N 1 2 212.243 2.846 20 0 BFADLO CO[C@H](CNc1ccc(C)[nH+]c1C)C1CC1 ZINC000638792753 352755237 /nfs/dbraw/zinc/75/52/37/352755237.db2.gz PXUMUWSGVZODQR-CYBMUJFWSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cnc(CNc2ccc(C)[nH+]c2C)o1 ZINC000638793456 352756585 /nfs/dbraw/zinc/75/65/85/352756585.db2.gz YICMZNXOCGEOMB-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000334174144 352758772 /nfs/dbraw/zinc/75/87/72/352758772.db2.gz BGGXPSCVGJLBLG-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000334174144 352758774 /nfs/dbraw/zinc/75/87/74/352758774.db2.gz BGGXPSCVGJLBLG-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO c1ccc(N2CC[C@H](CC3CC3)C2)[nH+]c1 ZINC000334177595 352763697 /nfs/dbraw/zinc/76/36/97/352763697.db2.gz BYNLMSWCGVWQEH-GFCCVEGCSA-N 1 2 202.301 2.708 20 0 BFADLO Cc1noc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000334188208 352777808 /nfs/dbraw/zinc/77/78/08/352777808.db2.gz JGAZBCNJQOUNQB-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1noc(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000334188208 352777810 /nfs/dbraw/zinc/77/78/10/352777810.db2.gz JGAZBCNJQOUNQB-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C(C)C ZINC000334190007 352780282 /nfs/dbraw/zinc/78/02/82/352780282.db2.gz IAWMZNZTCWNOBA-UHFFFAOYSA-N 1 2 221.304 2.571 20 0 BFADLO Cc1nc(C(C)C)ccc1Cn1cc[nH+]c1 ZINC000334192494 352783375 /nfs/dbraw/zinc/78/33/75/352783375.db2.gz HZEXOYQFICEBJH-UHFFFAOYSA-N 1 2 215.300 2.758 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334194876 352787054 /nfs/dbraw/zinc/78/70/54/352787054.db2.gz LPCAEZJIYPIOKR-QWRGUYRKSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000334194876 352787056 /nfs/dbraw/zinc/78/70/56/352787056.db2.gz LPCAEZJIYPIOKR-QWRGUYRKSA-N 1 2 233.302 2.675 20 0 BFADLO CC/C=C\CC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412069859 191252476 /nfs/dbraw/zinc/25/24/76/191252476.db2.gz HQVJLNDKSHVPOE-PLNGDYQASA-N 1 2 235.331 2.735 20 0 BFADLO CC/C=C\CC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412069859 191252477 /nfs/dbraw/zinc/25/24/77/191252477.db2.gz HQVJLNDKSHVPOE-PLNGDYQASA-N 1 2 235.331 2.735 20 0 BFADLO c1cc(N2CC(C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000334228972 352846211 /nfs/dbraw/zinc/84/62/11/352846211.db2.gz PGHFMBYVMHKWQX-UHFFFAOYSA-N 1 2 229.327 2.590 20 0 BFADLO CCc1cc(N[C@@H](C)CC(F)(F)F)nc[nH+]1 ZINC000231749086 538107128 /nfs/dbraw/zinc/10/71/28/538107128.db2.gz XUAMCYHOMJIFLH-ZETCQYMHSA-N 1 2 233.237 2.792 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638823360 353004528 /nfs/dbraw/zinc/00/45/28/353004528.db2.gz KTCXLNVEWYVHPW-YUMQZZPRSA-N 1 2 228.242 2.546 20 0 BFADLO Cc1ccnc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000336692447 188011193 /nfs/dbraw/zinc/01/11/93/188011193.db2.gz CRZUVXQNGLBEDH-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccnc(C[N@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000336692447 188011195 /nfs/dbraw/zinc/01/11/95/188011195.db2.gz CRZUVXQNGLBEDH-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO CC(C)[C@H](C)Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000608095340 353125331 /nfs/dbraw/zinc/12/53/31/353125331.db2.gz YYCRCOIEOLHPSE-JTQLQIEISA-N 1 2 248.355 2.799 20 0 BFADLO FC(F)(Br)C[NH2+]C1CCCC1 ZINC000307750413 353126325 /nfs/dbraw/zinc/12/63/25/353126325.db2.gz JWTQZCSRNQEVJN-UHFFFAOYSA-N 1 2 228.080 2.506 20 0 BFADLO CSc1ccc(NCc2cc[nH]c2)[nH+]c1 ZINC000124561969 188018003 /nfs/dbraw/zinc/01/80/03/188018003.db2.gz BNWLPSKVJRGLNU-UHFFFAOYSA-N 1 2 219.313 2.744 20 0 BFADLO C/C=C(\C)C(=O)Nc1cc[nH+]cc1CC ZINC000267549077 188023451 /nfs/dbraw/zinc/02/34/51/188023451.db2.gz CQHXJUUWBKMUDQ-RUDMXATFSA-N 1 2 204.273 2.549 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCc3scnc32)on1 ZINC000623887457 353136472 /nfs/dbraw/zinc/13/64/72/353136472.db2.gz CKKQOXKLTVPTLE-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO C/C=C/C[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000274463167 188027899 /nfs/dbraw/zinc/02/78/99/188027899.db2.gz KSDCDCMUJABXSY-YWVDXFKGSA-N 1 2 242.322 2.974 20 0 BFADLO Cc1nn(C(C)C)cc1CNc1cccc[nH+]1 ZINC000281750928 188032917 /nfs/dbraw/zinc/03/29/17/188032917.db2.gz DYHNCZYAODVYLE-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC(C)C ZINC000287425328 188035197 /nfs/dbraw/zinc/03/51/97/188035197.db2.gz GEXJOKROUGOODQ-UHFFFAOYSA-N 1 2 235.331 2.866 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000336534781 188057505 /nfs/dbraw/zinc/05/75/05/188057505.db2.gz CSFHEBOSBYPYFY-PHIMTYICSA-N 1 2 247.342 2.818 20 0 BFADLO CO[C@@H](CNc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000638971766 353179233 /nfs/dbraw/zinc/17/92/33/353179233.db2.gz DKEVNPXIRFFTNC-HNNXBMFYSA-N 1 2 246.354 2.797 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@H](C)C1CCC1)c1[nH]cc[nH+]1 ZINC000412281740 191272649 /nfs/dbraw/zinc/27/26/49/191272649.db2.gz OJGZLUWMPIIHRP-ZYHUDNBSSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1cc(N2CC(C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000343259847 353262945 /nfs/dbraw/zinc/26/29/45/353262945.db2.gz ZVRLMHLIEIVLBF-UHFFFAOYSA-N 1 2 243.354 2.899 20 0 BFADLO C/C=C\C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000358122843 188240608 /nfs/dbraw/zinc/24/06/08/188240608.db2.gz MVJZOOCRGGPUHO-FOSCPCJNSA-N 1 2 223.341 2.523 20 0 BFADLO Cc1nc(N(CC2CC2)CC2CCC2)cc[nH+]1 ZINC000360248555 188242394 /nfs/dbraw/zinc/24/23/94/188242394.db2.gz IOALEAHTJWFLKO-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO COc1ccc(N[C@H](C)c2nccs2)[nH+]c1 ZINC000225834659 538114282 /nfs/dbraw/zinc/11/42/82/538114282.db2.gz WYFIWZFWRZZPEX-MRVPVSSYSA-N 1 2 235.312 2.720 20 0 BFADLO CC(C)[C@H](O)C(C)(C)CNc1cccc[nH+]1 ZINC000269968509 188262238 /nfs/dbraw/zinc/26/22/38/188262238.db2.gz WSXPXXHHNPPJIT-LBPRGKRZSA-N 1 2 222.332 2.537 20 0 BFADLO CSc1ccc(NC[C@H]2CCSC2)[nH+]c1 ZINC000278530582 188267467 /nfs/dbraw/zinc/26/74/67/188267467.db2.gz RQBGKPWFLBYKKB-SECBINFHSA-N 1 2 240.397 2.969 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)c2ccccn2)o1 ZINC000311773042 538114773 /nfs/dbraw/zinc/11/47/73/538114773.db2.gz NFVXRIUREFIDFV-SECBINFHSA-N 1 2 231.299 2.537 20 0 BFADLO CCOC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165318038 353301891 /nfs/dbraw/zinc/30/18/91/353301891.db2.gz HLSAOWUUVHGDGV-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO CC(=O)[C@H](C)SCc1cn2cccc(C)c2[nH+]1 ZINC000175190232 188340184 /nfs/dbraw/zinc/34/01/84/188340184.db2.gz XDTCANPAOZVYAM-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO c1cc(N2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000110110662 188326459 /nfs/dbraw/zinc/32/64/59/188326459.db2.gz VLOPDGQNSGFXCH-UHFFFAOYSA-N 1 2 217.316 2.734 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccco2)s1 ZINC000122971872 324070594 /nfs/dbraw/zinc/07/05/94/324070594.db2.gz GKFGZYCCADBQFC-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CSc1ccc(NC[C@H]2C[C@H]2C)[nH+]c1 ZINC000306436006 188330020 /nfs/dbraw/zinc/33/00/20/188330020.db2.gz GBLRQRFTWIRZRV-RKDXNWHRSA-N 1 2 208.330 2.871 20 0 BFADLO FC(F)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000147278923 538115700 /nfs/dbraw/zinc/11/57/00/538115700.db2.gz JLRFOFCAEFTSEM-LBPRGKRZSA-N 1 2 211.255 2.992 20 0 BFADLO CC(C)([NH2+]Cc1c[nH]cn1)c1cccc(F)c1 ZINC000172342775 188339145 /nfs/dbraw/zinc/33/91/45/188339145.db2.gz DEAIRLPZFNWCQJ-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO CC(C)([NH2+]Cc1csnn1)c1cccs1 ZINC000308976194 188343113 /nfs/dbraw/zinc/34/31/13/188343113.db2.gz GRSXMHJRXOBZGH-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO CC(C)[C@H]([NH2+]CC[C@H]1CCOC1)C(F)(F)F ZINC000309367199 188345285 /nfs/dbraw/zinc/34/52/85/188345285.db2.gz PSDUPEWXPJHYRJ-UWVGGRQHSA-N 1 2 239.281 2.590 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000309757727 188346889 /nfs/dbraw/zinc/34/68/89/188346889.db2.gz HYWSSNKJHOWBPZ-LBPRGKRZSA-N 1 2 213.284 2.840 20 0 BFADLO CC(C)N(Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000267658461 188373899 /nfs/dbraw/zinc/37/38/99/188373899.db2.gz YYOJMLXSYNSKNC-UHFFFAOYSA-N 1 2 247.317 2.974 20 0 BFADLO Cc1nc(N(Cc2ccccc2)C2CC2)cc[nH+]1 ZINC000266183306 188371954 /nfs/dbraw/zinc/37/19/54/188371954.db2.gz VXGDIORNZGQZBM-UHFFFAOYSA-N 1 2 239.322 2.954 20 0 BFADLO CC(C)=CCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000276788834 188380583 /nfs/dbraw/zinc/38/05/83/188380583.db2.gz KJPODRYSHGAORQ-UHFFFAOYSA-N 1 2 233.315 2.868 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H](C)C1 ZINC000287529661 188387579 /nfs/dbraw/zinc/38/75/79/188387579.db2.gz NKOYKSUWFJLWSU-SNVBAGLBSA-N 1 2 247.342 2.962 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C)[C@@H]1C ZINC000287601234 188388682 /nfs/dbraw/zinc/38/86/82/188388682.db2.gz SBIUWTVLPGMUFP-CABZTGNLSA-N 1 2 247.342 2.961 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000297013383 188395225 /nfs/dbraw/zinc/39/52/25/188395225.db2.gz TZQJDHXQXJZTQI-NSHDSACASA-N 1 2 249.358 2.512 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000297013383 188395227 /nfs/dbraw/zinc/39/52/27/188395227.db2.gz TZQJDHXQXJZTQI-NSHDSACASA-N 1 2 249.358 2.512 20 0 BFADLO C[C@@H]([NH2+]CC(F)F)c1ccc(F)c(F)c1 ZINC000147352442 538117798 /nfs/dbraw/zinc/11/77/98/538117798.db2.gz KRCZDEQSHQJPSP-ZCFIWIBFSA-N 1 2 221.197 2.881 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncccn2)[C@@H]1c1ccccc1 ZINC000192057019 353534616 /nfs/dbraw/zinc/53/46/16/353534616.db2.gz FORYSVHFKDQHII-DOMZBBRYSA-N 1 2 239.322 2.670 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncccn2)[C@@H]1c1ccccc1 ZINC000192057019 353534619 /nfs/dbraw/zinc/53/46/19/353534619.db2.gz FORYSVHFKDQHII-DOMZBBRYSA-N 1 2 239.322 2.670 20 0 BFADLO Cc1nc(N2CC3(CCC3)C[C@@H]2C)cc[nH+]1 ZINC000336366690 188411443 /nfs/dbraw/zinc/41/14/43/188411443.db2.gz PRCOZLBFJJGNPN-JTQLQIEISA-N 1 2 217.316 2.554 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)C1CCC1 ZINC000162967069 324175597 /nfs/dbraw/zinc/17/55/97/324175597.db2.gz BZMSIXGAFXUCHP-VIFPVBQESA-N 1 2 206.289 2.691 20 0 BFADLO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000231682673 353643688 /nfs/dbraw/zinc/64/36/88/353643688.db2.gz XDDXGMACDDCPDI-VXGBXAGGSA-N 1 2 249.358 2.888 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000190734449 353689005 /nfs/dbraw/zinc/68/90/05/353689005.db2.gz AHOSCINAVFAAAN-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000190734449 353689008 /nfs/dbraw/zinc/68/90/08/353689008.db2.gz AHOSCINAVFAAAN-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1nccs1 ZINC000040443935 181012806 /nfs/dbraw/zinc/01/28/06/181012806.db2.gz QFUGGUJFSNFPRO-UHFFFAOYSA-N 1 2 222.288 2.572 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1cccnc1)CC2 ZINC000157882636 181007176 /nfs/dbraw/zinc/00/71/76/181007176.db2.gz UYVWJIUYBDJPKO-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000157882636 181007179 /nfs/dbraw/zinc/00/71/79/181007179.db2.gz UYVWJIUYBDJPKO-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cnccc2C)sn1 ZINC000639125618 353821707 /nfs/dbraw/zinc/82/17/07/353821707.db2.gz XXQBQOHRWHAAON-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cnccc2C)sn1 ZINC000639125618 353821708 /nfs/dbraw/zinc/82/17/08/353821708.db2.gz XXQBQOHRWHAAON-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Fc1c[nH+]ccc1NCc1ccccc1 ZINC000307501213 181021233 /nfs/dbraw/zinc/02/12/33/181021233.db2.gz UVTNKKDUWDXTSI-UHFFFAOYSA-N 1 2 202.232 2.833 20 0 BFADLO Cc1cc(N2C[C@H](C)CC(C)(C)C2)nc[nH+]1 ZINC000343435811 353886164 /nfs/dbraw/zinc/88/61/64/353886164.db2.gz KUNAJVUWGMNSLG-SNVBAGLBSA-N 1 2 219.332 2.657 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCC[C@H]1CCO1 ZINC000639137674 353854418 /nfs/dbraw/zinc/85/44/18/353854418.db2.gz FVWYNTGHHSXSFM-WDEREUQCSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCC[C@H]1CCO1 ZINC000639137674 353854420 /nfs/dbraw/zinc/85/44/20/353854420.db2.gz FVWYNTGHHSXSFM-WDEREUQCSA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343515765 353925889 /nfs/dbraw/zinc/92/58/89/353925889.db2.gz UJDKRZBZNMGHMS-LBPRGKRZSA-N 1 2 244.342 2.530 20 0 BFADLO CCCC(CCC)[S@@](=O)Cc1c[nH+]cn1C ZINC000343618786 353946269 /nfs/dbraw/zinc/94/62/69/353946269.db2.gz UPFZUCMHHUYEFA-INIZCTEOSA-N 1 2 242.388 2.638 20 0 BFADLO CC(C)c1nc(N[C@@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000343465059 353898033 /nfs/dbraw/zinc/89/80/33/353898033.db2.gz VKEJJWPXLKTRBO-GWCFXTLKSA-N 1 2 235.331 2.579 20 0 BFADLO FC1(F)CCC(Cn2cc[nH+]c2)CC1 ZINC000334557277 354004250 /nfs/dbraw/zinc/00/42/50/354004250.db2.gz BKGHXMSCVFDUGO-UHFFFAOYSA-N 1 2 200.232 2.709 20 0 BFADLO Cc1cc(N[C@H]2CCC2(C)C)nc(C2CC2)[nH+]1 ZINC000343804254 354008441 /nfs/dbraw/zinc/00/84/41/354008441.db2.gz IVYCNQOXUAVUKH-NSHDSACASA-N 1 2 231.343 2.685 20 0 BFADLO Cc1cc(NC[C@@H]2CCC[C@H]2C)nc[nH+]1 ZINC000230696361 363321654 /nfs/dbraw/zinc/32/16/54/363321654.db2.gz RQCSEYMANWWWHH-KOLCDFICSA-N 1 2 205.305 2.633 20 0 BFADLO c1ccc(NCc2ccc3c(n2)CCC3)[nH+]c1 ZINC000334568162 354091096 /nfs/dbraw/zinc/09/10/96/354091096.db2.gz ZAKREOJBWLJTKW-UHFFFAOYSA-N 1 2 225.295 2.577 20 0 BFADLO C[C@@H](CNc1cccc[nH+]1)c1nccs1 ZINC000230611845 363314251 /nfs/dbraw/zinc/31/42/51/363314251.db2.gz BUEZGIQBGBNOMC-VIFPVBQESA-N 1 2 219.313 2.754 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCc2ccccc2C1 ZINC000334577448 354120157 /nfs/dbraw/zinc/12/01/57/354120157.db2.gz MZBWXWBKFQWUIW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cnccc1C[N@H+]1CCc2ccccc2C1 ZINC000334577448 354120159 /nfs/dbraw/zinc/12/01/59/354120159.db2.gz MZBWXWBKFQWUIW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Clc1ccc(C2C[NH+](Cc3cc[nH]n3)C2)cc1 ZINC000334618621 354306894 /nfs/dbraw/zinc/30/68/94/354306894.db2.gz HOLWQTGACMGFDO-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO c1snnc1C[NH+]1CC(C2CCCCC2)C1 ZINC000334644008 354401379 /nfs/dbraw/zinc/40/13/79/354401379.db2.gz AHWFFRJKTFZQDQ-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000334667055 354406323 /nfs/dbraw/zinc/40/63/23/354406323.db2.gz VHUFGUAHTPAWMM-GHMZBOCLSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCC[C@H]1C ZINC000334724357 354524445 /nfs/dbraw/zinc/52/44/45/354524445.db2.gz CKDWSUHSCQOYNO-BXUZGUMPSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(N2CC(C)(CC(F)(F)F)C2)nc[nH+]1 ZINC000334798685 354554196 /nfs/dbraw/zinc/55/41/96/354554196.db2.gz FBPHRFQTPOUSHQ-UHFFFAOYSA-N 1 2 245.248 2.564 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000334755656 354577982 /nfs/dbraw/zinc/57/79/82/354577982.db2.gz IDTYWFYMDNERJI-MFKMUULPSA-N 1 2 237.347 2.951 20 0 BFADLO CC[C@@]1(C)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000334755656 354577984 /nfs/dbraw/zinc/57/79/84/354577984.db2.gz IDTYWFYMDNERJI-MFKMUULPSA-N 1 2 237.347 2.951 20 0 BFADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(C(F)F)no1 ZINC000335090868 354627066 /nfs/dbraw/zinc/62/70/66/354627066.db2.gz JHJAPVCQZRHNMG-HTQZYQBOSA-N 1 2 245.273 2.770 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092135 354628310 /nfs/dbraw/zinc/62/83/10/354628310.db2.gz ADCYOVWHBVICAG-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092135 354628313 /nfs/dbraw/zinc/62/83/13/354628313.db2.gz ADCYOVWHBVICAG-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)c2cccc(C)c2)c[nH+]1 ZINC000335114677 354703745 /nfs/dbraw/zinc/70/37/45/354703745.db2.gz ZOAOJPIDWZCVBY-JTQLQIEISA-N 1 2 243.310 2.518 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000335101610 354712139 /nfs/dbraw/zinc/71/21/39/354712139.db2.gz WCFCAQKHGKVOCV-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000335101610 354712141 /nfs/dbraw/zinc/71/21/41/354712141.db2.gz WCFCAQKHGKVOCV-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CCC[C@@](C)(F)C1 ZINC000335101610 354712143 /nfs/dbraw/zinc/71/21/43/354712143.db2.gz WCFCAQKHGKVOCV-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC(CC)CC ZINC000345608490 354729174 /nfs/dbraw/zinc/72/91/74/354729174.db2.gz SERLIBZYXSHOKD-UHFFFAOYSA-N 1 2 234.343 2.831 20 0 BFADLO c1ccc(CCNc2cc[nH+]c3ccncc23)cc1 ZINC000345445929 354670524 /nfs/dbraw/zinc/67/05/24/354670524.db2.gz UHXCFHSALHNEAU-UHFFFAOYSA-N 1 2 249.317 2.706 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1ccoc1 ZINC000087290254 491067711 /nfs/dbraw/zinc/06/77/11/491067711.db2.gz DLIGAOQPILLMKD-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO CCC(C)(C)CNc1nc[nH+]c(N)c1Cl ZINC000233046531 363392508 /nfs/dbraw/zinc/39/25/08/363392508.db2.gz VYVYLSSPHRAAIH-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CCC(C)(C)CNc1[nH+]cnc(N)c1Cl ZINC000233046531 363392513 /nfs/dbraw/zinc/39/25/13/363392513.db2.gz VYVYLSSPHRAAIH-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CCCCc1nc(C[NH+]2CCCCCC2)no1 ZINC000053602150 363417257 /nfs/dbraw/zinc/41/72/57/363417257.db2.gz AFVCQNRNHGRHET-UHFFFAOYSA-N 1 2 237.347 2.788 20 0 BFADLO CCCC[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608080 363419879 /nfs/dbraw/zinc/41/98/79/363419879.db2.gz BZFCYTLXCHBLME-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CCCC[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608080 363419883 /nfs/dbraw/zinc/41/98/83/363419883.db2.gz BZFCYTLXCHBLME-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000053608652 363419891 /nfs/dbraw/zinc/41/98/91/363419891.db2.gz RCKZRXBGJNGLIN-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000053608652 363419893 /nfs/dbraw/zinc/41/98/93/363419893.db2.gz RCKZRXBGJNGLIN-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cnccn1 ZINC000335140883 354845102 /nfs/dbraw/zinc/84/51/02/354845102.db2.gz ZEXDXAPHJHMRTH-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cnccn1 ZINC000335140883 354845103 /nfs/dbraw/zinc/84/51/03/354845103.db2.gz ZEXDXAPHJHMRTH-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO CC1(C)CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000335145662 354855479 /nfs/dbraw/zinc/85/54/79/354855479.db2.gz GYTHIDYDODUYGJ-UHFFFAOYSA-N 1 2 245.273 2.629 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CCC1CC1 ZINC000346373016 354902833 /nfs/dbraw/zinc/90/28/33/354902833.db2.gz ZPHMUACWFRUINV-NSHDSACASA-N 1 2 247.342 2.512 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000335160167 354911138 /nfs/dbraw/zinc/91/11/38/354911138.db2.gz RFQAIMYXWWJHLV-ZDUSSCGKSA-N 1 2 237.730 2.835 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](C[C@@H]1CCCO1)C2 ZINC000335160167 354911139 /nfs/dbraw/zinc/91/11/39/354911139.db2.gz RFQAIMYXWWJHLV-ZDUSSCGKSA-N 1 2 237.730 2.835 20 0 BFADLO Cc1ccc([C@H]2COCC[N@H+]2CC[C@@H](C)F)o1 ZINC000352001924 134025514 /nfs/dbraw/zinc/02/55/14/134025514.db2.gz DJSVGKAAUSBVLS-ZYHUDNBSSA-N 1 2 241.306 2.709 20 0 BFADLO Cc1ccc([C@H]2COCC[N@@H+]2CC[C@@H](C)F)o1 ZINC000352001924 134025515 /nfs/dbraw/zinc/02/55/15/134025515.db2.gz DJSVGKAAUSBVLS-ZYHUDNBSSA-N 1 2 241.306 2.709 20 0 BFADLO CC1(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000335228068 355070229 /nfs/dbraw/zinc/07/02/29/355070229.db2.gz JBWHKHFUXSOFEI-NSHDSACASA-N 1 2 247.342 2.654 20 0 BFADLO COc1ccncc1C[N@H+](C)Cc1ccc(C)o1 ZINC000346885086 355144841 /nfs/dbraw/zinc/14/48/41/355144841.db2.gz NKMLTHPYARCSFT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccncc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000346885086 355144844 /nfs/dbraw/zinc/14/48/44/355144844.db2.gz NKMLTHPYARCSFT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC=C(F)C1 ZINC000335249644 355168900 /nfs/dbraw/zinc/16/89/00/355168900.db2.gz RDHRMARKVHYHRF-UHFFFAOYSA-N 1 2 237.322 2.766 20 0 BFADLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC=C(F)C1 ZINC000335249644 355168901 /nfs/dbraw/zinc/16/89/01/355168901.db2.gz RDHRMARKVHYHRF-UHFFFAOYSA-N 1 2 237.322 2.766 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cncc(F)c1 ZINC000347001376 355198654 /nfs/dbraw/zinc/19/86/54/355198654.db2.gz SBHGIFGIDXHAAQ-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cncc(F)c1 ZINC000347001376 355198660 /nfs/dbraw/zinc/19/86/60/355198660.db2.gz SBHGIFGIDXHAAQ-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO CCC1(CNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413178804 191360732 /nfs/dbraw/zinc/36/07/32/191360732.db2.gz NDZQSYVQTSSJFM-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CCC1(CNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413178804 191360735 /nfs/dbraw/zinc/36/07/35/191360735.db2.gz NDZQSYVQTSSJFM-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO c1csc(CNc2cc(NC3CC3)[nH+]cn2)c1 ZINC000413024510 191343140 /nfs/dbraw/zinc/34/31/40/191343140.db2.gz NMTMDKNRNSUOHZ-UHFFFAOYSA-N 1 2 246.339 2.725 20 0 BFADLO c1csc(CNc2cc(NC3CC3)nc[nH+]2)c1 ZINC000413024510 191343143 /nfs/dbraw/zinc/34/31/43/191343143.db2.gz NMTMDKNRNSUOHZ-UHFFFAOYSA-N 1 2 246.339 2.725 20 0 BFADLO CC(C)[C@]1(C)C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000413445236 191384453 /nfs/dbraw/zinc/38/44/53/191384453.db2.gz WLRHVNIJKCLLDT-FZMZJTMJSA-N 1 2 231.343 2.622 20 0 BFADLO C[C@@H]1CC(C)(C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000413562484 191396688 /nfs/dbraw/zinc/39/66/88/191396688.db2.gz QBVCPYMISUGKME-SNVBAGLBSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CC(C)(C)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000413562484 191396690 /nfs/dbraw/zinc/39/66/90/191396690.db2.gz QBVCPYMISUGKME-SNVBAGLBSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1C ZINC000413223584 191365366 /nfs/dbraw/zinc/36/53/66/191365366.db2.gz XCQVUQXYUPUHDZ-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1C ZINC000413223584 191365369 /nfs/dbraw/zinc/36/53/69/191365369.db2.gz XCQVUQXYUPUHDZ-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2c2ccccc2F)nc[nH+]1 ZINC000413410723 191381131 /nfs/dbraw/zinc/38/11/31/191381131.db2.gz PVUDJHJVJZNPBS-WCQYABFASA-N 1 2 243.285 2.892 20 0 BFADLO C[C@@H](CC(=O)N1[C@@H](C)CCC1(C)C)n1cc[nH+]c1 ZINC000583503032 355334890 /nfs/dbraw/zinc/33/48/90/355334890.db2.gz NOTXBSJZJZINKJ-RYUDHWBXSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(CC(F)(F)F)C2)on1 ZINC000639255590 355295542 /nfs/dbraw/zinc/29/55/42/355295542.db2.gz IRGKUWQGOGXBRS-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)C(F)(F)F ZINC000414146613 191443162 /nfs/dbraw/zinc/44/31/62/191443162.db2.gz VJXALSSJUWEABR-BGZDPUMWSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccns2)C[C@H](CC)O1 ZINC000639272628 355344418 /nfs/dbraw/zinc/34/44/18/355344418.db2.gz IGLDIDSQMCIQCF-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccns2)C[C@H](CC)O1 ZINC000639272628 355344423 /nfs/dbraw/zinc/34/44/23/355344423.db2.gz IGLDIDSQMCIQCF-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2ccc(CO)cc2)c1 ZINC000639290698 355440148 /nfs/dbraw/zinc/44/01/48/355440148.db2.gz KCBPMTVBZPXUKG-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000336723018 358496894 /nfs/dbraw/zinc/49/68/94/358496894.db2.gz YPRRJCQERHGIPF-WDEREUQCSA-N 1 2 237.347 2.803 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCCC[C@H]1C ZINC000335804177 355474287 /nfs/dbraw/zinc/47/42/87/355474287.db2.gz YJTZDEFKOMKGLD-GFCCVEGCSA-N 1 2 247.342 2.608 20 0 BFADLO Cc1cc2[nH]c(C[NH+]3CCOCC3)cc2c(C)c1 ZINC000335815678 355505385 /nfs/dbraw/zinc/50/53/85/355505385.db2.gz JYHCIDMOSMMZLE-UHFFFAOYSA-N 1 2 244.338 2.617 20 0 BFADLO CCc1cc[nH+]cc1NC[C@](C)(CC)OC ZINC000639293338 355530059 /nfs/dbraw/zinc/53/00/59/355530059.db2.gz CFDQWTUDNROPQI-ZDUSSCGKSA-N 1 2 222.332 2.871 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(CO)cc1 ZINC000639294099 355553794 /nfs/dbraw/zinc/55/37/94/355553794.db2.gz IOSVAHSVNSFZJM-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO CCC(C)(C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335831966 355559431 /nfs/dbraw/zinc/55/94/31/355559431.db2.gz ZDKJKCAINULKBP-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CCC(C)(C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335831966 355559433 /nfs/dbraw/zinc/55/94/33/355559433.db2.gz ZDKJKCAINULKBP-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO C[NH2+]Cc1noc(C[C@@H](C)C2CCCCC2)n1 ZINC000349873449 355514076 /nfs/dbraw/zinc/51/40/76/355514076.db2.gz AGMWARGSCKVFSU-SNVBAGLBSA-N 1 2 237.347 2.548 20 0 BFADLO CCCC(=Cc1nc(C[NH2+]C)no1)CCC ZINC000349882731 355517778 /nfs/dbraw/zinc/51/77/78/355517778.db2.gz NFLPFKJVDMTMHY-UHFFFAOYSA-N 1 2 223.320 2.773 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)[C@@H]1CCCO1 ZINC000639292970 355524490 /nfs/dbraw/zinc/52/44/90/355524490.db2.gz POYIGXJRIHKYPU-UWVGGRQHSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1ccc2c(c1)CN(c1cc(C)[nH+]cn1)C2 ZINC000335852179 355595474 /nfs/dbraw/zinc/59/54/74/355595474.db2.gz IZJSLLUGNGFVDS-UHFFFAOYSA-N 1 2 225.295 2.614 20 0 BFADLO C[C@@H](CC1CCOCC1)C[N@@H+]1CCC(F)(F)C1 ZINC000350006191 355574247 /nfs/dbraw/zinc/57/42/47/355574247.db2.gz IJNOQZVMKBRNAW-NSHDSACASA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H](CC1CCOCC1)C[N@H+]1CCC(F)(F)C1 ZINC000350006191 355574254 /nfs/dbraw/zinc/57/42/54/355574254.db2.gz IJNOQZVMKBRNAW-NSHDSACASA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H](CC1CCOCC1)C[N@H+](C)CC(F)F ZINC000350022409 355576944 /nfs/dbraw/zinc/57/69/44/355576944.db2.gz XQPRIKZANQBEJF-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO C[C@@H](CC1CCOCC1)C[N@@H+](C)CC(F)F ZINC000350022409 355576948 /nfs/dbraw/zinc/57/69/48/355576948.db2.gz XQPRIKZANQBEJF-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO CC1(C)CCCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000335877938 355648687 /nfs/dbraw/zinc/64/86/87/355648687.db2.gz QIYTWXWKNAWNID-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC1(C)CCCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000335877938 355648693 /nfs/dbraw/zinc/64/86/93/355648693.db2.gz QIYTWXWKNAWNID-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1ncc([C@H](C)[N@@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000639313282 355685054 /nfs/dbraw/zinc/68/50/54/355685054.db2.gz PIKCWPJHOHXTKZ-CMPLNLGQSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ncc([C@H](C)[N@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000639313282 355685058 /nfs/dbraw/zinc/68/50/58/355685058.db2.gz PIKCWPJHOHXTKZ-CMPLNLGQSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC=C(C)CC2)s1 ZINC000335893787 355687035 /nfs/dbraw/zinc/68/70/35/355687035.db2.gz GSXZLFOUWRBSEW-VIFPVBQESA-N 1 2 223.345 2.560 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(C)CC2)s1 ZINC000335893787 355687037 /nfs/dbraw/zinc/68/70/37/355687037.db2.gz GSXZLFOUWRBSEW-VIFPVBQESA-N 1 2 223.345 2.560 20 0 BFADLO CCC1CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000336009238 134050399 /nfs/dbraw/zinc/05/03/99/134050399.db2.gz VPSJJIDUNZPFIT-VIFPVBQESA-N 1 2 223.320 2.561 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC(C(C)C)CC2)no1 ZINC000336010018 134050575 /nfs/dbraw/zinc/05/05/75/134050575.db2.gz BOLNSCIDGQXWRM-JTQLQIEISA-N 1 2 237.347 2.807 20 0 BFADLO Cc1cnc(C[NH+]2CC(Cc3cccs3)C2)o1 ZINC000639358201 355812994 /nfs/dbraw/zinc/81/29/94/355812994.db2.gz YORORBYAMISFFO-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO CN(C)c1c[nH+]cc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000639362711 355817751 /nfs/dbraw/zinc/81/77/51/355817751.db2.gz JHEUXQQMKOYZLK-LLVKDONJSA-N 1 2 249.358 2.517 20 0 BFADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CC1(F)F ZINC000639365703 355839612 /nfs/dbraw/zinc/83/96/12/355839612.db2.gz ROENVZXUQOKLPI-GZMMTYOYSA-N 1 2 241.285 2.603 20 0 BFADLO CCc1ccc(CNc2ccc[nH+]c2C)cn1 ZINC000351639315 356040291 /nfs/dbraw/zinc/04/02/91/356040291.db2.gz CGXZBQYOYOKNBJ-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000639392906 356061836 /nfs/dbraw/zinc/06/18/36/356061836.db2.gz CBKAGGAGGRPEJM-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccon1 ZINC000351591359 356023861 /nfs/dbraw/zinc/02/38/61/356023861.db2.gz DJABVEWLJKUNNJ-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Fc1ccc(C2([NH2+]Cc3ccon3)CC2)cc1 ZINC000351710291 356066205 /nfs/dbraw/zinc/06/62/05/356066205.db2.gz BNPBPEWFBGFUIK-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO C[C@@]1(F)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000335915877 356155318 /nfs/dbraw/zinc/15/53/18/356155318.db2.gz MQILUNNHXRJFSV-CYBMUJFWSA-N 1 2 231.274 2.568 20 0 BFADLO Cc1nc(C[NH+]2CCC(C(F)F)CC2)cs1 ZINC000335916895 356159310 /nfs/dbraw/zinc/15/93/10/356159310.db2.gz FGSVBDLKTVUCTO-UHFFFAOYSA-N 1 2 246.326 2.929 20 0 BFADLO C[C@H]1COCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000351894552 356164184 /nfs/dbraw/zinc/16/41/84/356164184.db2.gz XXRDUNNHYMQYOW-DLGQBQFBSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1CC[N@H+](CCc2cccnc2)CC1(F)F ZINC000336104944 134084384 /nfs/dbraw/zinc/08/43/84/134084384.db2.gz HLJFHRWVRWPPBV-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO CC1(C)C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000639406680 356201053 /nfs/dbraw/zinc/20/10/53/356201053.db2.gz SHKNLKJNKRRUDN-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO CCC(F)(F)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000639474327 356267749 /nfs/dbraw/zinc/26/77/49/356267749.db2.gz ROZBRCYNCSHETJ-GFCCVEGCSA-N 1 2 243.297 2.697 20 0 BFADLO CCC(F)(F)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000639474327 356267754 /nfs/dbraw/zinc/26/77/54/356267754.db2.gz ROZBRCYNCSHETJ-GFCCVEGCSA-N 1 2 243.297 2.697 20 0 BFADLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cocn2)n1 ZINC000191078653 358502830 /nfs/dbraw/zinc/50/28/30/358502830.db2.gz SFOURLGGYQRRLK-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cocn2)n1 ZINC000191078653 358502833 /nfs/dbraw/zinc/50/28/33/358502833.db2.gz SFOURLGGYQRRLK-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO COC(=O)CCC[N@@H+]1CCCc2c(C)cccc21 ZINC000609710662 356425401 /nfs/dbraw/zinc/42/54/01/356425401.db2.gz GUJKGJNMTFMAAQ-UHFFFAOYSA-N 1 2 247.338 2.701 20 0 BFADLO COC(=O)CCC[N@H+]1CCCc2c(C)cccc21 ZINC000609710662 356425404 /nfs/dbraw/zinc/42/54/04/356425404.db2.gz GUJKGJNMTFMAAQ-UHFFFAOYSA-N 1 2 247.338 2.701 20 0 BFADLO CC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000639557941 356462468 /nfs/dbraw/zinc/46/24/68/356462468.db2.gz VCCZEYUWEPWZIC-MWLCHTKSSA-N 1 2 235.302 2.722 20 0 BFADLO CC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000639557941 356462470 /nfs/dbraw/zinc/46/24/70/356462470.db2.gz VCCZEYUWEPWZIC-MWLCHTKSSA-N 1 2 235.302 2.722 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCc1ncc(C)s1 ZINC000639566783 356487856 /nfs/dbraw/zinc/48/78/56/356487856.db2.gz KJZDCVOVHLHFLT-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCc1ncc(C)s1 ZINC000639566783 356487860 /nfs/dbraw/zinc/48/78/60/356487860.db2.gz KJZDCVOVHLHFLT-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO CCc1csc(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000420651365 192255469 /nfs/dbraw/zinc/25/54/69/192255469.db2.gz KDGNNXBIHKBYQM-UHFFFAOYSA-N 1 2 247.367 2.751 20 0 BFADLO Cc1cc(CNC(=O)NCC(C)(C)C)cc(C)[nH+]1 ZINC000420823258 192263493 /nfs/dbraw/zinc/26/34/93/192263493.db2.gz PDTRUCCSQJILKI-UHFFFAOYSA-N 1 2 249.358 2.544 20 0 BFADLO CC[C@H](C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000420857940 192264536 /nfs/dbraw/zinc/26/45/36/192264536.db2.gz IDGZWPKGBZFHDC-JTQLQIEISA-N 1 2 249.358 2.544 20 0 BFADLO Cn1cc(Cl)c(C[N@H+](C)CC(C)(C)C)n1 ZINC000420899813 192268794 /nfs/dbraw/zinc/26/87/94/192268794.db2.gz GOHUWEOYPCTROC-UHFFFAOYSA-N 1 2 229.755 2.551 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+](C)CC(C)(C)C)n1 ZINC000420899813 192268797 /nfs/dbraw/zinc/26/87/97/192268797.db2.gz GOHUWEOYPCTROC-UHFFFAOYSA-N 1 2 229.755 2.551 20 0 BFADLO CCc1nc(C[N@H+]2CCCCC(C)(C)C2)no1 ZINC000336180761 134119480 /nfs/dbraw/zinc/11/94/80/134119480.db2.gz XQMIYERDRYKVEP-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000639597111 356515442 /nfs/dbraw/zinc/51/54/42/356515442.db2.gz ALCUWQAQYHXTDE-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000639597111 356515444 /nfs/dbraw/zinc/51/54/44/356515444.db2.gz ALCUWQAQYHXTDE-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO CC[C@H]1CCc2ccccc2[N@@H+]1C[C@H]1C[C@@H](O)C1 ZINC000420928502 192287083 /nfs/dbraw/zinc/28/70/83/192287083.db2.gz BLJOEQIALXNNQZ-AEGPPILISA-N 1 2 245.366 2.989 20 0 BFADLO CC[C@H]1CCc2ccccc2[N@H+]1C[C@H]1C[C@@H](O)C1 ZINC000420928502 192287086 /nfs/dbraw/zinc/28/70/86/192287086.db2.gz BLJOEQIALXNNQZ-AEGPPILISA-N 1 2 245.366 2.989 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000639618222 356535003 /nfs/dbraw/zinc/53/50/03/356535003.db2.gz GCAKYRFNJKBANF-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000639618222 356535007 /nfs/dbraw/zinc/53/50/07/356535007.db2.gz GCAKYRFNJKBANF-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000639619418 356536727 /nfs/dbraw/zinc/53/67/27/356536727.db2.gz CQFLDTRSKZUFSU-UHFFFAOYSA-N 1 2 247.342 2.564 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(CC3CC3)no2)CC1 ZINC000639619418 356536732 /nfs/dbraw/zinc/53/67/32/356536732.db2.gz CQFLDTRSKZUFSU-UHFFFAOYSA-N 1 2 247.342 2.564 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000420940554 192289224 /nfs/dbraw/zinc/28/92/24/192289224.db2.gz DNSCULRZEYWDSZ-SECBINFHSA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000420940554 192289225 /nfs/dbraw/zinc/28/92/25/192289225.db2.gz DNSCULRZEYWDSZ-SECBINFHSA-N 1 2 248.248 2.839 20 0 BFADLO CC[C@H]1C[N@H+](CC(F)(F)CC)CCCO1 ZINC000639622524 356541792 /nfs/dbraw/zinc/54/17/92/356541792.db2.gz IRVCAMUDVXQMEF-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@H]1C[N@@H+](CC(F)(F)CC)CCCO1 ZINC000639622524 356541795 /nfs/dbraw/zinc/54/17/95/356541795.db2.gz IRVCAMUDVXQMEF-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC(=O)c1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000336195242 134125867 /nfs/dbraw/zinc/12/58/67/134125867.db2.gz XURPBCPDXDZTES-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CC(=O)c1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000336195242 134125868 /nfs/dbraw/zinc/12/58/68/134125868.db2.gz XURPBCPDXDZTES-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CCC[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OCC ZINC000352261958 134128662 /nfs/dbraw/zinc/12/86/62/134128662.db2.gz BWIFKUVAABFKFX-LLVKDONJSA-N 1 2 245.338 2.590 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000449849837 202045493 /nfs/dbraw/zinc/04/54/93/202045493.db2.gz OVZIQNOVWYVULX-LBPRGKRZSA-N 1 2 234.343 2.823 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421331163 192317773 /nfs/dbraw/zinc/31/77/73/192317773.db2.gz SCGWYYYBFOGLHF-SECBINFHSA-N 1 2 243.782 2.860 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421331163 192317775 /nfs/dbraw/zinc/31/77/75/192317775.db2.gz SCGWYYYBFOGLHF-SECBINFHSA-N 1 2 243.782 2.860 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000639667802 356574626 /nfs/dbraw/zinc/57/46/26/356574626.db2.gz WCETXNLCJALQMZ-CYBMUJFWSA-N 1 2 239.265 2.691 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000639667802 356574631 /nfs/dbraw/zinc/57/46/31/356574631.db2.gz WCETXNLCJALQMZ-CYBMUJFWSA-N 1 2 239.265 2.691 20 0 BFADLO OCc1cc[nH+]c(NC[C@@H]2CCCC23CC3)c1 ZINC000630094077 363534944 /nfs/dbraw/zinc/53/49/44/363534944.db2.gz VFVHPFVYVPPUKU-LBPRGKRZSA-N 1 2 232.327 2.566 20 0 BFADLO C[C@@H](c1csnn1)[N@H+](C)Cc1ccccc1 ZINC000450236585 202102901 /nfs/dbraw/zinc/10/29/01/202102901.db2.gz DAJZGWLETCRZLJ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+](C)Cc1ccccc1 ZINC000450236585 202102904 /nfs/dbraw/zinc/10/29/04/202102904.db2.gz DAJZGWLETCRZLJ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO CC(C)(C)C(F)(F)CNc1cc(CO)cc[nH+]1 ZINC000630095239 363547967 /nfs/dbraw/zinc/54/79/67/363547967.db2.gz WNHMZBKTCNWZST-UHFFFAOYSA-N 1 2 244.285 2.667 20 0 BFADLO Cc1ccc([C@H](C)c2noc(C[NH+](C)C)n2)cc1 ZINC000350645412 366313786 /nfs/dbraw/zinc/31/37/86/366313786.db2.gz LHDFKCIFHJKRLW-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(C)(F)F ZINC000389443564 356672175 /nfs/dbraw/zinc/67/21/75/356672175.db2.gz LBLURACFCDNKGE-VIFPVBQESA-N 1 2 245.317 2.771 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccn1 ZINC000389481605 356687744 /nfs/dbraw/zinc/68/77/44/356687744.db2.gz VVBOCCXMLJCDLB-BDAKNGLRSA-N 1 2 214.259 2.776 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389479546 356688014 /nfs/dbraw/zinc/68/80/14/356688014.db2.gz STKWISFRXCLEPY-ZETCQYMHSA-N 1 2 234.315 2.893 20 0 BFADLO CC(C)CCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000450370075 202145115 /nfs/dbraw/zinc/14/51/15/202145115.db2.gz VHRYZUQPLUKYFK-GFCCVEGCSA-N 1 2 249.358 2.900 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cncc(F)c1 ZINC000389482350 356689011 /nfs/dbraw/zinc/68/90/11/356689011.db2.gz HPBVVXVJPTXFRL-YUMQZZPRSA-N 1 2 232.249 2.915 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000179911561 366333208 /nfs/dbraw/zinc/33/32/08/366333208.db2.gz KCNYKUFAMLHUNM-LLVKDONJSA-N 1 2 241.338 2.665 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000179911561 366333212 /nfs/dbraw/zinc/33/32/12/366333212.db2.gz KCNYKUFAMLHUNM-LLVKDONJSA-N 1 2 241.338 2.665 20 0 BFADLO CC(C)n1cc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000389478711 356685142 /nfs/dbraw/zinc/68/51/42/356685142.db2.gz CENIPQDPGMCPDE-SECBINFHSA-N 1 2 231.290 2.597 20 0 BFADLO COc1ccccc1C[NH2+][C@H](C)C(C)(F)F ZINC000389475908 356685197 /nfs/dbraw/zinc/68/51/97/356685197.db2.gz ZGRMVXKSNRFXOH-SECBINFHSA-N 1 2 229.270 2.829 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000389477904 356685949 /nfs/dbraw/zinc/68/59/49/356685949.db2.gz BBKWQKNVCVEFBC-BDAKNGLRSA-N 1 2 231.290 2.597 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccnc1 ZINC000389479756 356686783 /nfs/dbraw/zinc/68/67/83/356686783.db2.gz UAOAUCHBJOMCTO-BDAKNGLRSA-N 1 2 214.259 2.776 20 0 BFADLO CC(C)CCc1noc(COc2cc[nH+]cc2)n1 ZINC000356100503 356788797 /nfs/dbraw/zinc/78/87/97/356788797.db2.gz TVEONEIGPJRIIH-UHFFFAOYSA-N 1 2 247.298 2.632 20 0 BFADLO CCc1cccnc1[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000356882832 356808780 /nfs/dbraw/zinc/80/87/80/356808780.db2.gz VNCGGSYNEYLNAK-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCCC[C@@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000357818204 356847947 /nfs/dbraw/zinc/84/79/47/356847947.db2.gz AZTLPHXETZACOS-LLVKDONJSA-N 1 2 207.321 2.800 20 0 BFADLO Nc1nc(NC2CCCC2)[nH+]c2ccccc12 ZINC000041146498 356858894 /nfs/dbraw/zinc/85/88/94/356858894.db2.gz GLTUAQFYLXSUIF-UHFFFAOYSA-N 1 2 228.299 2.567 20 0 BFADLO CCC(F)(F)C[N@H+](C)CC1=CCSC1 ZINC000639864655 356925861 /nfs/dbraw/zinc/92/58/61/356925861.db2.gz ABEAVAQUJADMRP-UHFFFAOYSA-N 1 2 221.316 2.637 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CC1=CCSC1 ZINC000639864655 356925862 /nfs/dbraw/zinc/92/58/62/356925862.db2.gz ABEAVAQUJADMRP-UHFFFAOYSA-N 1 2 221.316 2.637 20 0 BFADLO Cc1cc(N[C@H](C(C)C)C2CC2)c(C#N)c[nH+]1 ZINC000399530799 356971887 /nfs/dbraw/zinc/97/18/87/356971887.db2.gz UWYXQOOUOKXLBT-CQSZACIVSA-N 1 2 229.327 2.530 20 0 BFADLO CC[C@H](COCC(F)(F)F)Nc1cccc[nH+]1 ZINC000450586257 202205338 /nfs/dbraw/zinc/20/53/38/202205338.db2.gz HDGAJGIRAQPIMS-SECBINFHSA-N 1 2 248.248 2.851 20 0 BFADLO COc1cccc2c(N3CC[C@@H](F)C3)cc[nH+]c12 ZINC000450601476 202209124 /nfs/dbraw/zinc/20/91/24/202209124.db2.gz AQPBXIQYGJCXQZ-SNVBAGLBSA-N 1 2 246.285 2.792 20 0 BFADLO C[C@H]([NH2+]CC(C)(C)F)c1cscn1 ZINC000631657672 357061975 /nfs/dbraw/zinc/06/19/75/357061975.db2.gz GCPXHJUOTSDZDT-ZETCQYMHSA-N 1 2 202.298 2.542 20 0 BFADLO CCC(CC)C[N@H+](C)Cc1noc(C2CC2)n1 ZINC000660811198 491106973 /nfs/dbraw/zinc/10/69/73/491106973.db2.gz GSUZFIFQSXCKFM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CCC(CC)C[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000660811198 491106974 /nfs/dbraw/zinc/10/69/74/491106974.db2.gz GSUZFIFQSXCKFM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCCC1(F)F ZINC000390927905 357118698 /nfs/dbraw/zinc/11/86/98/357118698.db2.gz HCIWDBOEBRKFTN-VIFPVBQESA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cscn2)ccn1 ZINC000391209493 357127152 /nfs/dbraw/zinc/12/71/52/357127152.db2.gz VHEGWAYJFIUEEI-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1occc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000628419089 357240130 /nfs/dbraw/zinc/24/01/30/357240130.db2.gz LJOJYOIGWBEQRU-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO Cc1occc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000628419089 357240134 /nfs/dbraw/zinc/24/01/34/357240134.db2.gz LJOJYOIGWBEQRU-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO FC(F)(F)c1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000628411033 357220117 /nfs/dbraw/zinc/22/01/17/357220117.db2.gz XBQINLBJNMRSSQ-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO FC(F)(F)c1cnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000628411033 357220119 /nfs/dbraw/zinc/22/01/19/357220119.db2.gz XBQINLBJNMRSSQ-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1[C@H](C)CCC1(C)C ZINC000639899879 357281894 /nfs/dbraw/zinc/28/18/94/357281894.db2.gz LQTWMVHJENYASC-LLVKDONJSA-N 1 2 247.342 2.607 20 0 BFADLO c1c2ccccc2oc1C[NH+]1CC2(C1)CCCO2 ZINC000628426983 357258368 /nfs/dbraw/zinc/25/83/68/357258368.db2.gz YDEKOSJFCAEZKE-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO CC(F)(F)CNc1ccc2ccccc2[nH+]1 ZINC000393467016 357310943 /nfs/dbraw/zinc/31/09/43/357310943.db2.gz CZNDDZUTFGFYMI-UHFFFAOYSA-N 1 2 222.238 2.724 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H](C)CCC)no1 ZINC000054989429 363582491 /nfs/dbraw/zinc/58/24/91/363582491.db2.gz BFOBNXAQVLLQKP-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H](C)CCC)no1 ZINC000054989429 363582495 /nfs/dbraw/zinc/58/24/95/363582495.db2.gz BFOBNXAQVLLQKP-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000584389965 357498673 /nfs/dbraw/zinc/49/86/73/357498673.db2.gz GHSDEHRAGBYVDQ-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC[C@H](C)C[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233989844 357765016 /nfs/dbraw/zinc/76/50/16/357765016.db2.gz QJHHMYLQWCZTAW-JGVFFNPUSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@H](C)C[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233989844 357765018 /nfs/dbraw/zinc/76/50/18/357765018.db2.gz QJHHMYLQWCZTAW-JGVFFNPUSA-N 1 2 242.754 2.949 20 0 BFADLO Cc1ccc([C@H](C)[N@H+](C)Cc2ncccn2)cc1 ZINC000191943425 357806124 /nfs/dbraw/zinc/80/61/24/357806124.db2.gz XJOCMJKIDLLQCJ-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2ncccn2)cc1 ZINC000191943425 357806128 /nfs/dbraw/zinc/80/61/28/357806128.db2.gz XJOCMJKIDLLQCJ-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000397963374 357816150 /nfs/dbraw/zinc/81/61/50/357816150.db2.gz WJHXOAUDRSZWTE-RNCFNFMXSA-N 1 2 246.310 2.989 20 0 BFADLO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccco2)cn1 ZINC000639927372 357856712 /nfs/dbraw/zinc/85/67/12/357856712.db2.gz QTOCUIYNUHJZQP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccco2)cn1 ZINC000639927372 357856714 /nfs/dbraw/zinc/85/67/14/357856714.db2.gz QTOCUIYNUHJZQP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1cc[nH+]c1CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639926160 357837651 /nfs/dbraw/zinc/83/76/51/357837651.db2.gz JKVXMMPOZHGIJS-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)C/C=C\c1ccccc1 ZINC000639966811 358021029 /nfs/dbraw/zinc/02/10/29/358021029.db2.gz FQQNYVHAJNYIMY-TWGQIWQCSA-N 1 2 241.338 2.863 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)C/C=C\c1ccccc1 ZINC000639966811 358021030 /nfs/dbraw/zinc/02/10/30/358021030.db2.gz FQQNYVHAJNYIMY-TWGQIWQCSA-N 1 2 241.338 2.863 20 0 BFADLO C[C@H](c1noc(Cc2c[nH+]cn2C)n1)C(C)(C)C ZINC000350415987 358066661 /nfs/dbraw/zinc/06/66/61/358066661.db2.gz GQCLZFAEMSXPJZ-SECBINFHSA-N 1 2 248.330 2.544 20 0 BFADLO Cc1nnc(C[N@@H+]2CCc3sccc3[C@@H]2C)o1 ZINC000053150916 358107105 /nfs/dbraw/zinc/10/71/05/358107105.db2.gz WXQDTVCRKQBSHN-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc(C[N@H+]2CCc3sccc3[C@@H]2C)o1 ZINC000053150916 358107107 /nfs/dbraw/zinc/10/71/07/358107107.db2.gz WXQDTVCRKQBSHN-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO CCc1cnc(C[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000223713203 358230510 /nfs/dbraw/zinc/23/05/10/358230510.db2.gz BAXGERVBSRYMQV-SNVBAGLBSA-N 1 2 246.310 2.793 20 0 BFADLO CCN(CC(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000171973218 134263634 /nfs/dbraw/zinc/26/36/34/134263634.db2.gz YNFXHRNGRIPAMC-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CCOc1cccc(C[NH2+]Cc2cc(C)on2)c1 ZINC000044693267 358552130 /nfs/dbraw/zinc/55/21/30/358552130.db2.gz KNSFZCQEJQZTEK-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(Cl)c(F)c1 ZINC000042580117 358527419 /nfs/dbraw/zinc/52/74/19/358527419.db2.gz NJYFOFFLLWXHBT-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c(F)cccc2F)CCS1 ZINC000131421670 358674968 /nfs/dbraw/zinc/67/49/68/358674968.db2.gz CNDKSVCNTBAFHY-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CCS1 ZINC000131421670 358674970 /nfs/dbraw/zinc/67/49/70/358674970.db2.gz CNDKSVCNTBAFHY-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000049370452 358684365 /nfs/dbraw/zinc/68/43/65/358684365.db2.gz ODMWXVXAYFKAOM-ZJUUUORDSA-N 1 2 241.356 2.740 20 0 BFADLO O=C(Nc1cc[nH+]cc1O)C1=CCCCCC1 ZINC000131956045 358701314 /nfs/dbraw/zinc/70/13/14/358701314.db2.gz LBDOWXYUHJJKGA-UHFFFAOYSA-N 1 2 232.283 2.616 20 0 BFADLO CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133254454 358748746 /nfs/dbraw/zinc/74/87/46/358748746.db2.gz GKGGCUCYOGXLAS-GFCCVEGCSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000133254454 358748751 /nfs/dbraw/zinc/74/87/51/358748751.db2.gz GKGGCUCYOGXLAS-GFCCVEGCSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000133254454 358748754 /nfs/dbraw/zinc/74/87/54/358748754.db2.gz GKGGCUCYOGXLAS-GFCCVEGCSA-N 1 2 242.326 2.629 20 0 BFADLO CC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000133254454 358748757 /nfs/dbraw/zinc/74/87/57/358748757.db2.gz GKGGCUCYOGXLAS-GFCCVEGCSA-N 1 2 242.326 2.629 20 0 BFADLO CCC(CC)CC(=O)Nc1cc[nH+]cc1O ZINC000133686729 358763084 /nfs/dbraw/zinc/76/30/84/358763084.db2.gz QBVGPOVMEZBUJV-UHFFFAOYSA-N 1 2 222.288 2.552 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(C)cc1F ZINC000051921371 358767768 /nfs/dbraw/zinc/76/77/68/358767768.db2.gz VEQPHSNIIFUMMP-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCC[N@H+](C/C=C/c1ccccc1)CC(=O)OC ZINC000050065764 358711654 /nfs/dbraw/zinc/71/16/54/358711654.db2.gz GHRGXEGTNOWOOI-JXMROGBWSA-N 1 2 247.338 2.585 20 0 BFADLO CCC[N@@H+](C/C=C/c1ccccc1)CC(=O)OC ZINC000050065764 358711656 /nfs/dbraw/zinc/71/16/56/358711656.db2.gz GHRGXEGTNOWOOI-JXMROGBWSA-N 1 2 247.338 2.585 20 0 BFADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccoc2)c(C)[nH]1 ZINC000050151052 358717257 /nfs/dbraw/zinc/71/72/57/358717257.db2.gz MNWICBPISSHXBQ-UHFFFAOYSA-N 1 2 246.310 2.539 20 0 BFADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccoc2)c(C)[nH]1 ZINC000050151052 358717260 /nfs/dbraw/zinc/71/72/60/358717260.db2.gz MNWICBPISSHXBQ-UHFFFAOYSA-N 1 2 246.310 2.539 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(F)c1C ZINC000051924213 358768665 /nfs/dbraw/zinc/76/86/65/358768665.db2.gz PKOOKRVHAFSMCC-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO COc1ccc(SCc2cc[nH+]c(N)c2)cc1 ZINC000052756057 358791172 /nfs/dbraw/zinc/79/11/72/358791172.db2.gz WEGCUESYKNFOOR-UHFFFAOYSA-N 1 2 246.335 2.965 20 0 BFADLO Cc1nnc(C[N@H+](Cc2ccccc2)C(C)C)o1 ZINC000052877175 358798051 /nfs/dbraw/zinc/79/80/51/358798051.db2.gz DROAYRYUICOJNR-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1nnc(C[N@@H+](Cc2ccccc2)C(C)C)o1 ZINC000052877175 358798054 /nfs/dbraw/zinc/79/80/54/358798054.db2.gz DROAYRYUICOJNR-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)C1CCCCC1 ZINC000053602238 358835646 /nfs/dbraw/zinc/83/56/46/358835646.db2.gz XVJOECQCTXFBPO-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)C1CCCCC1 ZINC000053602238 358835652 /nfs/dbraw/zinc/83/56/52/358835652.db2.gz XVJOECQCTXFBPO-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@@H]1CCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000053602208 358836270 /nfs/dbraw/zinc/83/62/70/358836270.db2.gz MIJZIZMLBAQKQY-LLVKDONJSA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@@H]1CCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000053602208 358836273 /nfs/dbraw/zinc/83/62/73/358836273.db2.gz MIJZIZMLBAQKQY-LLVKDONJSA-N 1 2 235.331 2.712 20 0 BFADLO C/C=C/CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000626568409 358961491 /nfs/dbraw/zinc/96/14/91/358961491.db2.gz CKQOCKUZOREBDG-AATRIKPKSA-N 1 2 233.315 2.704 20 0 BFADLO CC[C@@H](NC(=O)c1ccc(C)s1)c1[nH]cc[nH+]1 ZINC000140473589 358922312 /nfs/dbraw/zinc/92/23/12/358922312.db2.gz AJQUSMVHUUNCFH-SECBINFHSA-N 1 2 249.339 2.661 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)c(C)c1 ZINC000061097590 358932026 /nfs/dbraw/zinc/93/20/26/358932026.db2.gz PRPUWUVWGZANJB-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(Cl)cs2)no1 ZINC000086332673 358944336 /nfs/dbraw/zinc/94/43/36/358944336.db2.gz BTABLNVGSTXCHJ-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CCCCc1nc(C[N@H+](CC)CC2CC2)no1 ZINC000070014968 359039260 /nfs/dbraw/zinc/03/92/60/359039260.db2.gz QPDWNYIXFHWMBW-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+](CC)CC2CC2)no1 ZINC000070014968 359039262 /nfs/dbraw/zinc/03/92/62/359039262.db2.gz QPDWNYIXFHWMBW-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403414267 358982648 /nfs/dbraw/zinc/98/26/48/358982648.db2.gz VBDJTDWKIVWWCX-GMTAPVOTSA-N 1 2 218.300 2.691 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)o1 ZINC000070444071 359054807 /nfs/dbraw/zinc/05/48/07/359054807.db2.gz ANVIUHPLCYSKQL-WDEREUQCSA-N 1 2 233.315 2.733 20 0 BFADLO C[C@H]1CC[C@@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000070761097 359062936 /nfs/dbraw/zinc/06/29/36/359062936.db2.gz JHBWILQFPCZHIO-WDEREUQCSA-N 1 2 219.332 2.748 20 0 BFADLO C[C@@H]1CC[C@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000070761091 359063220 /nfs/dbraw/zinc/06/32/20/359063220.db2.gz JHBWILQFPCZHIO-MNOVXSKESA-N 1 2 219.332 2.748 20 0 BFADLO FC(F)C1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000308879640 491139386 /nfs/dbraw/zinc/13/93/86/491139386.db2.gz PJYRCEVAWNTUQL-UHFFFAOYSA-N 1 2 215.247 2.646 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000248328766 359262813 /nfs/dbraw/zinc/26/28/13/359262813.db2.gz CXCSVNAAXQDUCO-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@H](C)[C@H]2C)no1 ZINC000248328766 359262818 /nfs/dbraw/zinc/26/28/18/359262818.db2.gz CXCSVNAAXQDUCO-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@](C)(CC)C2)no1 ZINC000075998408 359263349 /nfs/dbraw/zinc/26/33/49/359263349.db2.gz NKIKHIKEOKVKNN-ZDUSSCGKSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@](C)(CC)C2)no1 ZINC000075998408 359263351 /nfs/dbraw/zinc/26/33/51/359263351.db2.gz NKIKHIKEOKVKNN-ZDUSSCGKSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)CCCF)ccc2n1C ZINC000611643244 359407164 /nfs/dbraw/zinc/40/71/64/359407164.db2.gz MKSGZVPTSQZOST-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000403669455 359701043 /nfs/dbraw/zinc/70/10/43/359701043.db2.gz NMYFGSWWJFLAMI-JLIMGVALSA-N 1 2 221.266 2.963 20 0 BFADLO CCCc1ncc(CNc2cccc[nH+]2)o1 ZINC000450847347 202286815 /nfs/dbraw/zinc/28/68/15/202286815.db2.gz OUTVNAIKBMKEQS-UHFFFAOYSA-N 1 2 217.272 2.634 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCCC2(CCC2)C1 ZINC000450885892 202299257 /nfs/dbraw/zinc/29/92/57/202299257.db2.gz VORAGSUCYSJAGB-JTQLQIEISA-N 1 2 237.372 2.865 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCCC2(CCC2)C1 ZINC000450885892 202299263 /nfs/dbraw/zinc/29/92/63/202299263.db2.gz VORAGSUCYSJAGB-JTQLQIEISA-N 1 2 237.372 2.865 20 0 BFADLO CCO[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000450944426 202315978 /nfs/dbraw/zinc/31/59/78/202315978.db2.gz XWSAJFRNPKFJSM-VXGBXAGGSA-N 1 2 235.331 2.545 20 0 BFADLO Cc1c(Cl)c(C[NH+]2C3CCC2CC3)nn1C ZINC000578496520 366579295 /nfs/dbraw/zinc/57/92/95/366579295.db2.gz VVGWCZOJGHDCEZ-UHFFFAOYSA-N 1 2 239.750 2.509 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(F)(F)[C@@H](C)C1 ZINC000578522658 366589129 /nfs/dbraw/zinc/58/91/29/366589129.db2.gz SBFLKKOTXMCVLT-VIFPVBQESA-N 1 2 241.285 2.575 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000451065497 202342735 /nfs/dbraw/zinc/34/27/35/202342735.db2.gz LETSTMYMPOXFTB-VIFPVBQESA-N 1 2 225.361 2.646 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000451065497 202342740 /nfs/dbraw/zinc/34/27/40/202342740.db2.gz LETSTMYMPOXFTB-VIFPVBQESA-N 1 2 225.361 2.646 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)C(F)F ZINC000451173940 202369239 /nfs/dbraw/zinc/36/92/39/202369239.db2.gz BZHYIBSBBVMMAE-XCBNKYQSSA-N 1 2 232.249 2.915 20 0 BFADLO CC[C@@]1(C)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000578668932 366624850 /nfs/dbraw/zinc/62/48/50/366624850.db2.gz VBVSSSCFLJIHPW-ZDUSSCGKSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1F ZINC000088255027 359942714 /nfs/dbraw/zinc/94/27/14/359942714.db2.gz OIARMDWRFMZQJN-JTQLQIEISA-N 1 2 233.290 2.708 20 0 BFADLO Cc1ncsc1C[NH2+][C@H]1CCCC1(F)F ZINC000309164118 491146030 /nfs/dbraw/zinc/14/60/30/491146030.db2.gz IELVDJGKLJLKSP-VIFPVBQESA-N 1 2 232.299 2.729 20 0 BFADLO C[C@H](CC(=O)N[C@H](C)C1CCCC1)n1cc[nH+]c1 ZINC000578894031 366669938 /nfs/dbraw/zinc/66/99/38/366669938.db2.gz JUSBALOHGSODND-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO CCc1cc(Nc2cnn(C(C)C)c2)nc(C)[nH+]1 ZINC000088760391 359977657 /nfs/dbraw/zinc/97/76/57/359977657.db2.gz KURBLPVXGRODTQ-UHFFFAOYSA-N 1 2 245.330 2.868 20 0 BFADLO Cn1c[nH+]cc1CNc1cnc2ccccc2c1 ZINC000090165630 360060434 /nfs/dbraw/zinc/06/04/34/360060434.db2.gz NQSFIRRRMBIEMM-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(F)c1C ZINC000090172871 360061573 /nfs/dbraw/zinc/06/15/73/360061573.db2.gz PTCMIQOLQDWQKR-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCOC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803298 360090023 /nfs/dbraw/zinc/09/00/23/360090023.db2.gz KACPOQYQAAJOAF-QMMMGPOBSA-N 1 2 248.248 2.937 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1ccc(F)cn1 ZINC000092196385 360156014 /nfs/dbraw/zinc/15/60/14/360156014.db2.gz SJUVGDCFRLKORD-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1F ZINC000093418678 360241341 /nfs/dbraw/zinc/24/13/41/360241341.db2.gz NZDZFORJMBQJAD-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1F ZINC000093418678 360241344 /nfs/dbraw/zinc/24/13/44/360241344.db2.gz NZDZFORJMBQJAD-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)o1 ZINC000093841338 360282489 /nfs/dbraw/zinc/28/24/89/360282489.db2.gz UBSDXUZUTDHUJY-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)o1 ZINC000093841338 360282497 /nfs/dbraw/zinc/28/24/97/360282497.db2.gz UBSDXUZUTDHUJY-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094519237 360310310 /nfs/dbraw/zinc/31/03/10/360310310.db2.gz CMWYZPTYSYTHAB-UHFFFAOYSA-N 1 2 241.338 2.885 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(OC)ccc1F ZINC000094855068 360322880 /nfs/dbraw/zinc/32/28/80/360322880.db2.gz RKFSGQZDEJRHTB-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCc1nc(C[N@H+](CCC(C)C)C2CC2)no1 ZINC000054317072 360451517 /nfs/dbraw/zinc/45/15/17/360451517.db2.gz SDGPPZOMALWZAL-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](CCC(C)C)C2CC2)no1 ZINC000054317072 360451518 /nfs/dbraw/zinc/45/15/18/360451518.db2.gz SDGPPZOMALWZAL-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc(N[C@H](C2CCC2)[C@@H]2CCCO2)cc[nH+]1 ZINC000631526125 360598481 /nfs/dbraw/zinc/59/84/81/360598481.db2.gz ZBGTWQCFLHLSPL-GXTWGEPZSA-N 1 2 247.342 2.545 20 0 BFADLO c1cc(NCCC2CCC2)nc(C2CC2)[nH+]1 ZINC000153045536 360762723 /nfs/dbraw/zinc/76/27/23/360762723.db2.gz YRKXVBAHKULQBJ-UHFFFAOYSA-N 1 2 217.316 2.956 20 0 BFADLO C[C@@H](Cc1ccccc1F)Nc1c[nH]c[nH+]1 ZINC000309585651 491151527 /nfs/dbraw/zinc/15/15/27/491151527.db2.gz RRJFQIGXLHGECU-VIFPVBQESA-N 1 2 219.263 2.592 20 0 BFADLO Cc1ccc(COCc2[nH]cc[nH+]2)cc1F ZINC000629170333 360919113 /nfs/dbraw/zinc/91/91/13/360919113.db2.gz SOHBZIMQNZTGBA-UHFFFAOYSA-N 1 2 220.247 2.574 20 0 BFADLO CCc1nn(C)cc1CNc1ccc([NH2+]C)cc1 ZINC000629389477 361036455 /nfs/dbraw/zinc/03/64/55/361036455.db2.gz NPFNJZLHCVGKDD-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO C[NH2+]c1ccc(NCc2c(C)nn(C)c2C)cc1 ZINC000629389432 361036718 /nfs/dbraw/zinc/03/67/18/361036718.db2.gz MXRATNVYCMXCQS-UHFFFAOYSA-N 1 2 244.342 2.691 20 0 BFADLO CCc1nc(C[N@H+](C)C[C@H](C)C(C)(C)C)no1 ZINC000640349287 361072514 /nfs/dbraw/zinc/07/25/14/361072514.db2.gz ALZUFWSEFHEEQT-JTQLQIEISA-N 1 2 239.363 2.746 20 0 BFADLO CCc1nc(C[N@@H+](C)C[C@H](C)C(C)(C)C)no1 ZINC000640349287 361072517 /nfs/dbraw/zinc/07/25/17/361072517.db2.gz ALZUFWSEFHEEQT-JTQLQIEISA-N 1 2 239.363 2.746 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccc(C)c(C)c1)C(=O)OC ZINC000428287221 201006282 /nfs/dbraw/zinc/00/62/82/201006282.db2.gz DAUMWPGDRHRXEU-OAHLLOKOSA-N 1 2 249.354 2.735 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccco2)cn1 ZINC000428482378 201024583 /nfs/dbraw/zinc/02/45/83/201024583.db2.gz HDCJPYZSDVGERD-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccco2)cn1 ZINC000428482378 201024586 /nfs/dbraw/zinc/02/45/86/201024586.db2.gz HDCJPYZSDVGERD-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@H]1CC[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000428660728 201032635 /nfs/dbraw/zinc/03/26/35/201032635.db2.gz OBQUFGTULQUHGZ-JQWIXIFHSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc(N[C@H]2CC23CCCC3)nc(C2CC2)[nH+]1 ZINC000428677685 201035045 /nfs/dbraw/zinc/03/50/45/201035045.db2.gz SSPXWCXUOFXHSH-LBPRGKRZSA-N 1 2 243.354 2.829 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCCC3(CCC3)C2)[nH]1 ZINC000428986792 201058942 /nfs/dbraw/zinc/05/89/42/201058942.db2.gz QABRZNOWVAAGGS-UHFFFAOYSA-N 1 2 248.374 2.694 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCCC3(CCC3)C2)[nH]1 ZINC000428986792 201058944 /nfs/dbraw/zinc/05/89/44/201058944.db2.gz QABRZNOWVAAGGS-UHFFFAOYSA-N 1 2 248.374 2.694 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(-n3ccnn3)cc2)[C@@H]1C ZINC000430230249 201156737 /nfs/dbraw/zinc/15/67/37/201156737.db2.gz VPOVFRCLQNHJHF-GYSYKLTISA-N 1 2 242.326 2.724 20 0 BFADLO CC1(C)C[C@@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000434103997 201206560 /nfs/dbraw/zinc/20/65/60/201206560.db2.gz LSOBPGDCARCNBR-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO CC1(C)C[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000434103997 201206561 /nfs/dbraw/zinc/20/65/61/201206561.db2.gz LSOBPGDCARCNBR-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)CC2(C)C)[nH+]1 ZINC000433780976 201193123 /nfs/dbraw/zinc/19/31/23/201193123.db2.gz DJJVLQYXGFDGBD-VIFPVBQESA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc(N(C)Cc2cc(F)cc(F)c2)cc[nH+]1 ZINC000433797644 201194529 /nfs/dbraw/zinc/19/45/29/201194529.db2.gz XUFNKSNYGHZRQY-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO COCCCNc1ccc(-c2ccsc2)c[nH+]1 ZINC000629689788 361624479 /nfs/dbraw/zinc/62/44/79/361624479.db2.gz APWKUIDITFBEHY-UHFFFAOYSA-N 1 2 248.351 2.680 20 0 BFADLO CC(C)c1nc(NCCF)cc(C(C)(C)C)[nH+]1 ZINC000435587335 201277958 /nfs/dbraw/zinc/27/79/58/201277958.db2.gz GPYBFKSNWIIBHX-UHFFFAOYSA-N 1 2 239.338 2.701 20 0 BFADLO COCc1cc(-c2c[nH]c(C)[nH+]2)cs1 ZINC000629750006 361682727 /nfs/dbraw/zinc/68/27/27/361682727.db2.gz VWVNCLVAXMCAGQ-UHFFFAOYSA-N 1 2 208.286 2.593 20 0 BFADLO CCNc1ccc(-c2ccc(C)cc2OC)c[nH+]1 ZINC000629753874 361685395 /nfs/dbraw/zinc/68/53/95/361685395.db2.gz HFBUUFPFXRFHCG-UHFFFAOYSA-N 1 2 242.322 2.919 20 0 BFADLO Cc1cc(N2CCC[C@@H](C(C)C)C2)nc[nH+]1 ZINC000436462903 201326799 /nfs/dbraw/zinc/32/67/99/201326799.db2.gz GXYVOWMVZWENOK-GFCCVEGCSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000436470793 201328648 /nfs/dbraw/zinc/32/86/48/201328648.db2.gz SSDWXJVGCVOOLC-SCZZXKLOSA-N 1 2 230.315 2.867 20 0 BFADLO CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000614794199 363979390 /nfs/dbraw/zinc/97/93/90/363979390.db2.gz CYOVBABVTROYCA-OCCSQVGLSA-N 1 2 249.354 2.549 20 0 BFADLO CCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000614794200 363979975 /nfs/dbraw/zinc/97/99/75/363979975.db2.gz CYOVBABVTROYCA-TZMCWYRMSA-N 1 2 249.354 2.549 20 0 BFADLO CCCCNC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630402505 364128834 /nfs/dbraw/zinc/12/88/34/364128834.db2.gz YNFXLERSPJWLSE-UHFFFAOYSA-N 1 2 243.310 2.607 20 0 BFADLO FCCCCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631279553 364159031 /nfs/dbraw/zinc/15/90/31/364159031.db2.gz MGAUUSKNQWAVLG-UHFFFAOYSA-N 1 2 248.305 2.949 20 0 BFADLO c1csc(C[NH2+][C@@H]2COCc3ccccc32)n1 ZINC000225994604 541361867 /nfs/dbraw/zinc/36/18/67/541361867.db2.gz KAAJSQGKPLJSED-GFCCVEGCSA-N 1 2 246.335 2.504 20 0 BFADLO CCCCc1cc(N[C@@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000631130901 364532624 /nfs/dbraw/zinc/53/26/24/364532624.db2.gz PUQDGQOHIFSXGC-RYUDHWBXSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c(C)n1 ZINC000453296251 202732015 /nfs/dbraw/zinc/73/20/15/202732015.db2.gz RENZELWNMZFQFU-CBAPKCEASA-N 1 2 243.301 2.788 20 0 BFADLO Cc1cccc(CC[N@@H+](C)Cc2cscn2)n1 ZINC000573319993 364797971 /nfs/dbraw/zinc/79/79/71/364797971.db2.gz GFAGIQIVCYQUJG-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1cccc(CC[N@H+](C)Cc2cscn2)n1 ZINC000573319993 364797972 /nfs/dbraw/zinc/79/79/72/364797972.db2.gz GFAGIQIVCYQUJG-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573664468 364886600 /nfs/dbraw/zinc/88/66/00/364886600.db2.gz BVTPISVHTCYUMA-JKSUJKDBSA-N 1 2 244.382 2.664 20 0 BFADLO CC(C)CCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573934217 364950442 /nfs/dbraw/zinc/95/04/42/364950442.db2.gz RNOOYAQPZFQRII-LLVKDONJSA-N 1 2 237.347 2.803 20 0 BFADLO COc1ccccc1CNc1[nH+]cccc1OC ZINC000169027880 365059312 /nfs/dbraw/zinc/05/93/12/365059312.db2.gz ADNWABJWYYGFBL-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)c1ccccn1 ZINC000169142147 365080846 /nfs/dbraw/zinc/08/08/46/365080846.db2.gz PVEOIPQSOACDEI-JTQLQIEISA-N 1 2 229.283 2.658 20 0 BFADLO CC[C@H](NC(=O)[C@H](C)CC(C)C)c1[nH]cc[nH+]1 ZINC000442812501 192993888 /nfs/dbraw/zinc/99/38/88/192993888.db2.gz RRNZRUBSBDMKOO-MNOVXSKESA-N 1 2 237.347 2.659 20 0 BFADLO CCC(CC)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000443409749 193019914 /nfs/dbraw/zinc/01/99/14/193019914.db2.gz OQMXJPDPWOSQOL-UHFFFAOYSA-N 1 2 235.306 2.735 20 0 BFADLO CO[C@@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000443491883 193022237 /nfs/dbraw/zinc/02/22/37/193022237.db2.gz SCBFVHNXQZCLSQ-VIFPVBQESA-N 1 2 234.274 2.821 20 0 BFADLO C[C@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@H]1C ZINC000443509178 193023966 /nfs/dbraw/zinc/02/39/66/193023966.db2.gz KKDDXQUJAGHMOV-AOOOYVTPSA-N 1 2 247.317 2.805 20 0 BFADLO CNc1ccc(Nc2ccnc(C(C)C)n2)c[nH+]1 ZINC000171849806 365248998 /nfs/dbraw/zinc/24/89/98/365248998.db2.gz HLBXURYIGAQGRI-UHFFFAOYSA-N 1 2 243.314 2.780 20 0 BFADLO CC(C)c1nc(N2CCSC[C@H]2C)cc[nH+]1 ZINC000172374806 365319683 /nfs/dbraw/zinc/31/96/83/365319683.db2.gz KQSLASDPMRQMEU-SNVBAGLBSA-N 1 2 237.372 2.542 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)CC(C)(C)C1 ZINC000575815249 365372361 /nfs/dbraw/zinc/37/23/61/365372361.db2.gz FIPXQKUCQNSOLR-JTQLQIEISA-N 1 2 233.359 2.966 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1cccc(O)c1 ZINC000575825221 365374881 /nfs/dbraw/zinc/37/48/81/365374881.db2.gz ZLLMKULIAJNKOM-JTQLQIEISA-N 1 2 246.285 2.777 20 0 BFADLO CC[C@H]([NH2+]Cc1ccon1)c1c(C)noc1C ZINC000182420625 366900819 /nfs/dbraw/zinc/90/08/19/366900819.db2.gz VIEBQJQBRJEODC-NSHDSACASA-N 1 2 235.287 2.520 20 0 BFADLO CC(=O)Nc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353646310 541484353 /nfs/dbraw/zinc/48/43/53/541484353.db2.gz CURIEDAVORBHAX-SECBINFHSA-N 1 2 244.298 2.541 20 0 BFADLO COC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000183251591 367004611 /nfs/dbraw/zinc/00/46/11/367004611.db2.gz LRXLBOIVOGRXRD-AWEZNQCLSA-N 1 2 249.354 2.845 20 0 BFADLO CCOC(=O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000183535860 367027854 /nfs/dbraw/zinc/02/78/54/367027854.db2.gz TUKBBIHVXXBUSC-UHFFFAOYSA-N 1 2 247.338 2.609 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000579968136 367108312 /nfs/dbraw/zinc/10/83/12/367108312.db2.gz JNLFWTHPCNXEPG-MWLCHTKSSA-N 1 2 249.358 2.506 20 0 BFADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cn1 ZINC000382047950 367480980 /nfs/dbraw/zinc/48/09/80/367480980.db2.gz CMNNJSCECAOKTA-VIFPVBQESA-N 1 2 232.249 2.917 20 0 BFADLO COc1ccc(CNc2c[nH]c[nH+]2)c(Cl)c1 ZINC000381608193 367437567 /nfs/dbraw/zinc/43/75/67/367437567.db2.gz RCHBKWIUEVDRGK-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO COc1cc[nH+]cc1COc1cccc(F)c1 ZINC000383330818 367613843 /nfs/dbraw/zinc/61/38/43/367613843.db2.gz GVJXFZXEWAMEQR-UHFFFAOYSA-N 1 2 233.242 2.808 20 0 BFADLO C[C@@H](NC(=O)C(C)(C)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000384161759 367674058 /nfs/dbraw/zinc/67/40/58/367674058.db2.gz TYGUITUVFOANEE-SECBINFHSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1cc(C[NH2+]Cc2cccc(C)c2F)no1 ZINC000384449522 367692892 /nfs/dbraw/zinc/69/28/92/367692892.db2.gz IVSKTRSOCIPKST-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccs2)n1 ZINC000042540877 368310809 /nfs/dbraw/zinc/31/08/09/368310809.db2.gz OMECOHAULMHYGX-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccs2)n1 ZINC000042540877 368310812 /nfs/dbraw/zinc/31/08/12/368310812.db2.gz OMECOHAULMHYGX-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO C[C@H](CC(=O)Nc1ccsc1)n1cc[nH+]c1 ZINC000566680867 326074125 /nfs/dbraw/zinc/07/41/25/326074125.db2.gz BZLDMXPNQWZJSO-SECBINFHSA-N 1 2 235.312 2.534 20 0 BFADLO CCC[C@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057912445 368504010 /nfs/dbraw/zinc/50/40/10/368504010.db2.gz OOUJJVJVYMWVBK-NSHDSACASA-N 1 2 245.326 2.595 20 0 BFADLO Cn1ccnc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000057592270 368495915 /nfs/dbraw/zinc/49/59/15/368495915.db2.gz MHFBQEKVDFIFOG-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ccnc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000057592270 368495919 /nfs/dbraw/zinc/49/59/19/368495919.db2.gz MHFBQEKVDFIFOG-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CN(Cc1[nH+]ccn1C)Cc1ccccc1Cl ZINC000057592272 368495932 /nfs/dbraw/zinc/49/59/32/368495932.db2.gz OCSKIIFEHLSEJM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000060331797 368538578 /nfs/dbraw/zinc/53/85/78/368538578.db2.gz DELPYIJRULSRCP-UHFFFAOYSA-N 1 2 229.283 2.789 20 0 BFADLO CC[C@@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000060575205 368547553 /nfs/dbraw/zinc/54/75/53/368547553.db2.gz JTNYGVOORJFFMX-SECBINFHSA-N 1 2 225.336 2.597 20 0 BFADLO CC[C@@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000060575205 368547555 /nfs/dbraw/zinc/54/75/55/368547555.db2.gz JTNYGVOORJFFMX-SECBINFHSA-N 1 2 225.336 2.597 20 0 BFADLO CC[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1[nH]cc[nH+]1 ZINC000456063859 202903951 /nfs/dbraw/zinc/90/39/51/202903951.db2.gz JZDMMFBRSZCWBK-CMPLNLGQSA-N 1 2 247.342 2.723 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@]1(C)CC ZINC000456336541 202935964 /nfs/dbraw/zinc/93/59/64/202935964.db2.gz ANKPDBOWDHIVKE-WDMOLILDSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2cccnc2)s1 ZINC000067401641 368687286 /nfs/dbraw/zinc/68/72/86/368687286.db2.gz JWCOPJHOEYPDTL-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2cccnc2)s1 ZINC000067401641 368687292 /nfs/dbraw/zinc/68/72/92/368687292.db2.gz JWCOPJHOEYPDTL-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO Fc1ccccc1C[N@H+](Cc1ccno1)C1CC1 ZINC000067445737 368688267 /nfs/dbraw/zinc/68/82/67/368688267.db2.gz LECGOCUDHZFOOX-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccccc1C[N@@H+](Cc1ccno1)C1CC1 ZINC000067445737 368688273 /nfs/dbraw/zinc/68/82/73/368688273.db2.gz LECGOCUDHZFOOX-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO CN1CCN(c2cccc[nH+]2)Cc2ccccc21 ZINC000068918134 368741190 /nfs/dbraw/zinc/74/11/90/368741190.db2.gz BBQSDGJAUBQVFF-UHFFFAOYSA-N 1 2 239.322 2.538 20 0 BFADLO CN(Cc1ccc(F)c(F)c1)c1cccc[nH+]1 ZINC000074055678 368829209 /nfs/dbraw/zinc/82/92/09/368829209.db2.gz SEUYLQUUTBTTMX-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccno1)c1nccs1 ZINC000072683945 368778769 /nfs/dbraw/zinc/77/87/69/368778769.db2.gz JSBZMHJVQYBJMJ-LLVKDONJSA-N 1 2 237.328 2.546 20 0 BFADLO COCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000074389195 368842138 /nfs/dbraw/zinc/84/21/38/368842138.db2.gz FETOJSAMRKIYFX-UHFFFAOYSA-N 1 2 234.274 2.822 20 0 BFADLO CCC(C)(C)CC(=O)Nc1c[nH+]ccc1OC ZINC000073059704 368792248 /nfs/dbraw/zinc/79/22/48/368792248.db2.gz PZPSUBVQOHNCBW-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO CC(C)n1cc(NCc2c[nH+]cn2C(C)C)cn1 ZINC000090209177 368974748 /nfs/dbraw/zinc/97/47/48/368974748.db2.gz QSNSELUEEPFNNL-UHFFFAOYSA-N 1 2 247.346 2.854 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2CC3(CC3)C2)c[nH+]1 ZINC000616116028 368960875 /nfs/dbraw/zinc/96/08/75/368960875.db2.gz ONBPSLPMSIBZQO-UHFFFAOYSA-N 1 2 244.338 2.505 20 0 BFADLO CCc1ccc(C[NH+]2CC(C(F)(F)F)C2)nc1 ZINC000567454346 326195288 /nfs/dbraw/zinc/19/52/88/326195288.db2.gz FSGAZEMZHONAAP-UHFFFAOYSA-N 1 2 244.260 2.638 20 0 BFADLO CC[C@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000618954550 369245989 /nfs/dbraw/zinc/24/59/89/369245989.db2.gz VZVXJSJOCAJPDJ-FZMZJTMJSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cccn2c(NC(=O)[C@@H](C)C(C)C)c[nH+]c12 ZINC000619013778 369257362 /nfs/dbraw/zinc/25/73/62/369257362.db2.gz YRHLLHJISSZSSE-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO COCC[N@H+](C)Cc1c(F)cc(C)cc1Cl ZINC000459311054 203251954 /nfs/dbraw/zinc/25/19/54/203251954.db2.gz NDOMNTCEAOWZFF-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO COCC[N@@H+](C)Cc1c(F)cc(C)cc1Cl ZINC000459311054 203251957 /nfs/dbraw/zinc/25/19/57/203251957.db2.gz NDOMNTCEAOWZFF-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO Cc1nc2ccc(C[NH2+]CC(F)F)cc2s1 ZINC000459552438 203295407 /nfs/dbraw/zinc/29/54/07/203295407.db2.gz ZLONSNVJNBMDKA-UHFFFAOYSA-N 1 2 242.294 2.959 20 0 BFADLO COC1(C)C[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459586634 203308235 /nfs/dbraw/zinc/30/82/35/203308235.db2.gz PIBAXZGQAVPVMY-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CCOC1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000459592379 203310410 /nfs/dbraw/zinc/31/04/10/203310410.db2.gz HSOOXWJEKIETSM-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO CCOC1C[NH+](Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000459609673 203314384 /nfs/dbraw/zinc/31/43/84/203314384.db2.gz QTQKLKAFTBIMLK-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CC(C)(O)c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC000200986893 369375327 /nfs/dbraw/zinc/37/53/27/369375327.db2.gz QSHOCOSCIYRVNL-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO COCC1(C)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000459620304 203318490 /nfs/dbraw/zinc/31/84/90/203318490.db2.gz JCTGRZDWTKEXCG-UHFFFAOYSA-N 1 2 245.775 2.870 20 0 BFADLO CCC1(C)C[NH+](Cc2ccn(C(F)F)n2)C1 ZINC000459633253 203323087 /nfs/dbraw/zinc/32/30/87/203323087.db2.gz LJWMMSGNZPJXOT-UHFFFAOYSA-N 1 2 229.274 2.510 20 0 BFADLO CC1(CC(F)(F)F)C[NH+](Cc2ccncc2)C1 ZINC000459632105 203324844 /nfs/dbraw/zinc/32/48/44/203324844.db2.gz DRNGFZDXUZZXIZ-UHFFFAOYSA-N 1 2 244.260 2.856 20 0 BFADLO Cc1ccc(C[NH+]2CC(OC(F)F)C2)cc1C ZINC000459643220 203329640 /nfs/dbraw/zinc/32/96/40/203329640.db2.gz XHEJVLIRTDYWNZ-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO CC(C)[C@H]1CCC[N@@H+]1Cc1nnsc1Cl ZINC000082238120 370973602 /nfs/dbraw/zinc/97/36/02/370973602.db2.gz MGAYXYINBPIORJ-SECBINFHSA-N 1 2 245.779 2.812 20 0 BFADLO CC(C)[C@H]1CCC[N@H+]1Cc1nnsc1Cl ZINC000082238120 370973605 /nfs/dbraw/zinc/97/36/05/370973605.db2.gz MGAYXYINBPIORJ-SECBINFHSA-N 1 2 245.779 2.812 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CCCC2)[nH+]1 ZINC000631030521 370962631 /nfs/dbraw/zinc/96/26/31/370962631.db2.gz UDTAWALVXKZZBU-UHFFFAOYSA-N 1 2 230.315 2.682 20 0 BFADLO CCc1cc(N[C@H](C)c2c(C)noc2C)nc[nH+]1 ZINC000072946736 369511662 /nfs/dbraw/zinc/51/16/62/369511662.db2.gz QJHQHSDSPAENBY-MRVPVSSYSA-N 1 2 246.314 2.817 20 0 BFADLO CCc1cc(N[C@@H](C)c2c(C)noc2C)nc[nH+]1 ZINC000072946735 369511725 /nfs/dbraw/zinc/51/17/25/369511725.db2.gz QJHQHSDSPAENBY-QMMMGPOBSA-N 1 2 246.314 2.817 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccccc1F ZINC000459797825 203371890 /nfs/dbraw/zinc/37/18/90/203371890.db2.gz SVSHNPJZPGCKDY-MNOVXSKESA-N 1 2 247.317 2.971 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@@H](C)C3CC3)cc2[nH+]1 ZINC000620649798 369972029 /nfs/dbraw/zinc/97/20/29/369972029.db2.gz FBSUGEPNBXQTDF-JTQLQIEISA-N 1 2 243.310 2.627 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@H](C)C(C)C)cc2[nH+]1 ZINC000620650061 369972115 /nfs/dbraw/zinc/97/21/15/369972115.db2.gz KSMLZNRQFRTGPT-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO Cc1cn2ccc(NC(=O)CC(C)C)cc2[nH+]1 ZINC000620647906 369972381 /nfs/dbraw/zinc/97/23/81/369972381.db2.gz NGIQCTLCGBPNIT-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO CCc1cc(N[C@@H]2C[C@@](C)(OC)C2(C)C)nc[nH+]1 ZINC000075064711 370072104 /nfs/dbraw/zinc/07/21/04/370072104.db2.gz YPWWJGRNUOJQGD-BXUZGUMPSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1cc(NC[C@@H](OC)C(C)(C)C)nc[nH+]1 ZINC000075063293 370073503 /nfs/dbraw/zinc/07/35/03/370073503.db2.gz KRGNZMVLAKSAPX-LLVKDONJSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1cc(NCCOC2CCCCC2)nc[nH+]1 ZINC000111639382 370169027 /nfs/dbraw/zinc/16/90/27/370169027.db2.gz PKWNCRJWWHCUJM-UHFFFAOYSA-N 1 2 249.358 2.800 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cncc(Cl)c1 ZINC000621242977 370176234 /nfs/dbraw/zinc/17/62/34/370176234.db2.gz FXXZCXREHCZWAP-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cncc(Cl)c1 ZINC000621242977 370176238 /nfs/dbraw/zinc/17/62/38/370176238.db2.gz FXXZCXREHCZWAP-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1nc(CNc2cc[nH+]c(C3CC3)n2)cs1 ZINC000112515084 370316552 /nfs/dbraw/zinc/31/65/52/370316552.db2.gz QTUKZVXMBMBFIG-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO CCOc1cncc(CNc2c[nH+]ccc2C)c1 ZINC000621342337 370275328 /nfs/dbraw/zinc/27/53/28/370275328.db2.gz SRBBGXMTVCHWPE-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CC(C)C1 ZINC000621466798 370365892 /nfs/dbraw/zinc/36/58/92/370365892.db2.gz HIISVFBCSPUCKR-UHFFFAOYSA-N 1 2 247.342 2.866 20 0 BFADLO CCCc1ccc(C[NH+]2CCOCC2)s1 ZINC000621709365 370454005 /nfs/dbraw/zinc/45/40/05/370454005.db2.gz STVNOKVUGFWCJI-UHFFFAOYSA-N 1 2 225.357 2.533 20 0 BFADLO CCOc1cncc(C[N@H+](C)Cc2ccoc2)c1 ZINC000621713701 370461141 /nfs/dbraw/zinc/46/11/41/370461141.db2.gz SKJRSTGCGIIEKH-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1cncc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000621713701 370461146 /nfs/dbraw/zinc/46/11/46/370461146.db2.gz SKJRSTGCGIIEKH-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCc1cc(N[C@H](C)CC(C)(C)OC)nc[nH+]1 ZINC000078402230 370557641 /nfs/dbraw/zinc/55/76/41/370557641.db2.gz KMIJQKIQKSBNBK-SNVBAGLBSA-N 1 2 237.347 2.655 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nccs2)c(F)c1 ZINC000631047586 371052101 /nfs/dbraw/zinc/05/21/01/371052101.db2.gz NPASQKABCLWXOB-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CC(C)N(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000623841444 371122959 /nfs/dbraw/zinc/12/29/59/371122959.db2.gz VQZIEMHURMAXOL-UHFFFAOYSA-N 1 2 240.310 2.727 20 0 BFADLO c1coc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000623849591 371127426 /nfs/dbraw/zinc/12/74/26/371127426.db2.gz JXIRFPBJEGDEIY-JTQLQIEISA-N 1 2 234.324 2.903 20 0 BFADLO CCc1cc(NCCCCSC)nc[nH+]1 ZINC000124699693 371221101 /nfs/dbraw/zinc/22/11/01/371221101.db2.gz SGJBHIKQSVWMKN-UHFFFAOYSA-N 1 2 225.361 2.594 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(C)cc2F)on1 ZINC000631066139 371259663 /nfs/dbraw/zinc/25/96/63/371259663.db2.gz YPNDBOGAFPNPKS-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO O[C@H]1CCC[C@@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631066736 371267051 /nfs/dbraw/zinc/26/70/51/371267051.db2.gz MVNUDEDOVOKPHK-KGLIPLIRSA-N 1 2 242.322 2.950 20 0 BFADLO O[C@H]1CCC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631066735 371267997 /nfs/dbraw/zinc/26/79/97/371267997.db2.gz MVNUDEDOVOKPHK-KBPBESRZSA-N 1 2 242.322 2.950 20 0 BFADLO CC[C@@H](NCC(F)(F)CC)c1[nH+]ccn1C ZINC000624148202 371344390 /nfs/dbraw/zinc/34/43/90/371344390.db2.gz YDLLPPDZWVDYHO-SECBINFHSA-N 1 2 231.290 2.506 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000624148363 371344932 /nfs/dbraw/zinc/34/49/32/371344932.db2.gz BPYFMPDVYIPFAT-SECBINFHSA-N 1 2 244.285 2.786 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ncc(C)s2)o1 ZINC000164843718 326418070 /nfs/dbraw/zinc/41/80/70/326418070.db2.gz PWBJHNKXLJYZTO-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C2CCC2)C1 ZINC000624286337 371457087 /nfs/dbraw/zinc/45/70/87/371457087.db2.gz SJQPUPTYBKTWPC-GFCCVEGCSA-N 1 2 232.327 2.717 20 0 BFADLO CC(C)(C)c1nc(NCC2CC=CC2)cc[nH+]1 ZINC000624491005 371520790 /nfs/dbraw/zinc/52/07/90/371520790.db2.gz FRJHVYHHDUKCDE-UHFFFAOYSA-N 1 2 231.343 2.574 20 0 BFADLO CC(C)CCCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627373032 371591843 /nfs/dbraw/zinc/59/18/43/371591843.db2.gz DMLCAJJNCGKJQZ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CC(C)CCCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627373032 371591849 /nfs/dbraw/zinc/59/18/49/371591849.db2.gz DMLCAJJNCGKJQZ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CCc1cc(C[NH2+]Cc2ccc(Cl)o2)on1 ZINC000164376799 372142699 /nfs/dbraw/zinc/14/26/99/372142699.db2.gz JMLZVYWOZMWNBC-UHFFFAOYSA-N 1 2 240.690 2.773 20 0 BFADLO C[C@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)CO1 ZINC000631329530 372298189 /nfs/dbraw/zinc/29/81/89/372298189.db2.gz PLSVFIHXZCHOJA-GWCFXTLKSA-N 1 2 228.295 2.824 20 0 BFADLO CCCCc1cc(N[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000631248290 372258874 /nfs/dbraw/zinc/25/88/74/372258874.db2.gz XQOPECLJJZXMTJ-AAEUAGOBSA-N 1 2 249.358 2.656 20 0 BFADLO OC[C@@H]1CC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631291091 372278858 /nfs/dbraw/zinc/27/88/58/372278858.db2.gz MBGUJXRKWWCSOG-RISCZKNCSA-N 1 2 242.322 2.808 20 0 BFADLO CCCCc1cc(N[C@@H]2COCC2(C)C)nc[nH+]1 ZINC000631294145 372280357 /nfs/dbraw/zinc/28/03/57/372280357.db2.gz GUXMOXVXLKEODC-GFCCVEGCSA-N 1 2 249.358 2.656 20 0 BFADLO c1ccc2cc(N3C[C@@H]4C[C@H]3CS4)[nH+]cc2c1 ZINC000631298673 372282864 /nfs/dbraw/zinc/28/28/64/372282864.db2.gz FIMIYLJJWMGRFS-STQMWFEESA-N 1 2 242.347 2.929 20 0 BFADLO CCCCc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc[nH+]1 ZINC000631465219 372378881 /nfs/dbraw/zinc/37/88/81/372378881.db2.gz JHBSFAKIICTKSW-NQBHXWOUSA-N 1 2 249.358 2.797 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC(C)(F)CC1 ZINC000631516344 372404226 /nfs/dbraw/zinc/40/42/26/372404226.db2.gz OMANMOYNTKVKKI-UHFFFAOYSA-N 1 2 247.317 2.902 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000631609196 372458374 /nfs/dbraw/zinc/45/83/74/372458374.db2.gz YMGXHVPSCOITPO-MJBXVCDLSA-N 1 2 244.338 2.760 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)no1 ZINC000631753405 372555003 /nfs/dbraw/zinc/55/50/03/372555003.db2.gz LIHGNJKMIDZPHK-ZXFLCMHBSA-N 1 2 234.221 2.584 20 0 BFADLO CC(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000171862228 372801727 /nfs/dbraw/zinc/80/17/27/372801727.db2.gz HCWMNYLDFMUTOS-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CC(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000171862228 372801734 /nfs/dbraw/zinc/80/17/34/372801734.db2.gz HCWMNYLDFMUTOS-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCS[C@@H]1CCCC[N@H+](CC(F)F)C1 ZINC000171994685 372853058 /nfs/dbraw/zinc/85/30/58/372853058.db2.gz MGSGZOCXLIJOKV-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCS[C@@H]1CCCC[N@@H+](CC(F)F)C1 ZINC000171994685 372853061 /nfs/dbraw/zinc/85/30/61/372853061.db2.gz MGSGZOCXLIJOKV-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO O=C(Nc1ccsc1)c1ccc2[nH+]ccn2c1 ZINC000172499520 372993844 /nfs/dbraw/zinc/99/38/44/372993844.db2.gz WLZUXIMICPLDGE-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO CCO[C@H]1C[C@@H]([N@H+](C)CC(F)F)C12CCCC2 ZINC000172670146 373038823 /nfs/dbraw/zinc/03/88/23/373038823.db2.gz VCDSIQKNBKAQNX-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@H]1C[C@@H]([N@@H+](C)CC(F)F)C12CCCC2 ZINC000172670146 373038831 /nfs/dbraw/zinc/03/88/31/373038831.db2.gz VCDSIQKNBKAQNX-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(F)F)C12CCCC2 ZINC000172670141 373039334 /nfs/dbraw/zinc/03/93/34/373039334.db2.gz VCDSIQKNBKAQNX-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(F)F)C12CCCC2 ZINC000172670141 373039340 /nfs/dbraw/zinc/03/93/40/373039340.db2.gz VCDSIQKNBKAQNX-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1cc(CNc2ccc(C)[nH+]c2C)on1 ZINC000381016932 373751964 /nfs/dbraw/zinc/75/19/64/373751964.db2.gz UZWLAHVATBIBRG-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)[C@H](C)[C@@H](C)O1 ZINC000445673134 206084540 /nfs/dbraw/zinc/08/45/40/206084540.db2.gz CZSOZGKVGZEIGC-GMTAPVOTSA-N 1 2 245.326 2.565 20 0 BFADLO Cc1cc(C[NH2+]CC(F)F)cc2cccnc12 ZINC000459539645 206134423 /nfs/dbraw/zinc/13/44/23/206134423.db2.gz CGBPASVDUHFBAG-UHFFFAOYSA-N 1 2 236.265 2.898 20 0 BFADLO COC1(C)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000459579830 206135125 /nfs/dbraw/zinc/13/51/25/206135125.db2.gz JBJYINFMAZBCQM-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO COC1C[NH+](Cc2cc3c(cc(C)cc3C)[nH]2)C1 ZINC000459577772 206135539 /nfs/dbraw/zinc/13/55/39/206135539.db2.gz HTCVWOUBJLWAAG-UHFFFAOYSA-N 1 2 244.338 2.615 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)C1CCCCC1 ZINC000266185114 182374893 /nfs/dbraw/zinc/37/48/93/182374893.db2.gz ZRIJAEYIMOZGCL-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccsc1 ZINC000355318710 182384591 /nfs/dbraw/zinc/38/45/91/182384591.db2.gz RFGRPQVXNBPBTK-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000280725568 182384910 /nfs/dbraw/zinc/38/49/10/182384910.db2.gz HZKLWNCYRKHMNE-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CCCC[NH2+]c1ccc(OC)cc1OC ZINC000019903468 168879440 /nfs/dbraw/zinc/87/94/40/168879440.db2.gz DMVZOFOMVHBURJ-UHFFFAOYSA-N 1 2 209.289 2.916 20 0 BFADLO OCCCCCCNc1cc[nH+]c2ccncc12 ZINC000271828861 183043873 /nfs/dbraw/zinc/04/38/73/183043873.db2.gz OILGDBICINKJTM-UHFFFAOYSA-N 1 2 245.326 2.594 20 0 BFADLO CCCC[C@H](COC)Nc1cc[nH+]c(C2CC2)n1 ZINC000123124151 169004263 /nfs/dbraw/zinc/00/42/63/169004263.db2.gz DAOGPPKHAICREJ-GFCCVEGCSA-N 1 2 249.358 2.971 20 0 BFADLO CCCC[C@H](COC)Nc1cccc[nH+]1 ZINC000265472304 169005027 /nfs/dbraw/zinc/00/50/27/169005027.db2.gz DEZJLOONHZGPLH-LLVKDONJSA-N 1 2 208.305 2.699 20 0 BFADLO CCCC[C@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000041053430 169011362 /nfs/dbraw/zinc/01/13/62/169011362.db2.gz AXTJKJQAZQJXNE-NSHDSACASA-N 1 2 241.356 2.570 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353179561 183172850 /nfs/dbraw/zinc/17/28/50/183172850.db2.gz JESSYQWUKVDXRW-RYUDHWBXSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@H]1C(F)F ZINC000353179561 183172853 /nfs/dbraw/zinc/17/28/53/183172853.db2.gz JESSYQWUKVDXRW-RYUDHWBXSA-N 1 2 247.329 2.657 20 0 BFADLO CCCN(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265760144 169057257 /nfs/dbraw/zinc/05/72/57/169057257.db2.gz ZLDNNJFAKSUAJV-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO CCCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301531853 169088097 /nfs/dbraw/zinc/08/80/97/169088097.db2.gz PSJZLUNIIWHGJW-UHFFFAOYSA-N 1 2 207.321 2.620 20 0 BFADLO CCC[N@H+](CC)[C@@H](C(=O)OC)c1ccsc1 ZINC000280164932 169132422 /nfs/dbraw/zinc/13/24/22/169132422.db2.gz XZMYBIDFDVHUEZ-LLVKDONJSA-N 1 2 241.356 2.694 20 0 BFADLO CCC[N@@H+](CC)[C@@H](C(=O)OC)c1ccsc1 ZINC000280164932 169132426 /nfs/dbraw/zinc/13/24/26/169132426.db2.gz XZMYBIDFDVHUEZ-LLVKDONJSA-N 1 2 241.356 2.694 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC000152061455 183339990 /nfs/dbraw/zinc/33/99/90/183339990.db2.gz ZNUKLNXLYRBSJN-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000152061455 183339993 /nfs/dbraw/zinc/33/99/93/183339993.db2.gz ZNUKLNXLYRBSJN-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1csc([C@@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000360092678 183343143 /nfs/dbraw/zinc/34/31/43/183343143.db2.gz LFAPSEIBHHJYQQ-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000360092678 183343145 /nfs/dbraw/zinc/34/31/45/183343145.db2.gz LFAPSEIBHHJYQQ-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc(N[C@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000267145507 183359239 /nfs/dbraw/zinc/35/92/39/183359239.db2.gz AUUWJGDHFCDYFX-JTQLQIEISA-N 1 2 235.356 2.662 20 0 BFADLO c1cn(-c2cccc(N[C@H]3CCSC3)c2)c[nH+]1 ZINC000036939871 183359276 /nfs/dbraw/zinc/35/92/76/183359276.db2.gz BPLQETQPACCJCD-LBPRGKRZSA-N 1 2 245.351 2.790 20 0 BFADLO c1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)[nH]n1 ZINC000276883211 183352449 /nfs/dbraw/zinc/35/24/49/183352449.db2.gz FCCYCXNGBFWWSD-UHFFFAOYSA-N 1 2 241.338 2.967 20 0 BFADLO c1cc(N2CC(C3CCCC3)C2)nc(C2CC2)[nH+]1 ZINC000360114028 183356190 /nfs/dbraw/zinc/35/61/90/183356190.db2.gz FEYOFZARLCDIRR-UHFFFAOYSA-N 1 2 243.354 2.980 20 0 BFADLO c1[nH]c(CNc2cccc3cnccc32)c[nH+]1 ZINC000054764303 183357086 /nfs/dbraw/zinc/35/70/86/183357086.db2.gz JEKOSBIANZBPLT-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO c1[nH]cc(CNc2cccc3cnccc32)[nH+]1 ZINC000054764303 183357088 /nfs/dbraw/zinc/35/70/88/183357088.db2.gz JEKOSBIANZBPLT-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO c1cc(NC[C@@H]2CCCS2)nc(C2CC2)[nH+]1 ZINC000128028374 183357154 /nfs/dbraw/zinc/35/71/54/183357154.db2.gz VRIJISYJAFXKIV-JTQLQIEISA-N 1 2 235.356 2.662 20 0 BFADLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cs1 ZINC000270966557 183363138 /nfs/dbraw/zinc/36/31/38/183363138.db2.gz BJMNAEBRLLEEOE-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO c1nc(C[N@H+]2CCC[C@@H]2c2ccncc2)cs1 ZINC000270966557 183363139 /nfs/dbraw/zinc/36/31/39/183363139.db2.gz BJMNAEBRLLEEOE-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc2c(o1)CCC[N@@H+](Cc1cscn1)C2 ZINC000288974817 183372281 /nfs/dbraw/zinc/37/22/81/183372281.db2.gz YXOTYLOZBHYENH-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO c1cc2c(o1)CCC[N@H+](Cc1cscn1)C2 ZINC000288974817 183372282 /nfs/dbraw/zinc/37/22/82/183372282.db2.gz YXOTYLOZBHYENH-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO c1cc2[nH+]ccc(N3C[C@@H]4CCC[C@@H]4C3)c2cn1 ZINC000268275346 183377316 /nfs/dbraw/zinc/37/73/16/183377316.db2.gz VBJHMEPUGLWBMP-TXEJJXNPSA-N 1 2 239.322 2.866 20 0 BFADLO c1cc2[nH+]ccc(N3CCCSCC3)c2cn1 ZINC000267941562 183377684 /nfs/dbraw/zinc/37/76/84/183377684.db2.gz HILLYPWURJHQPY-UHFFFAOYSA-N 1 2 245.351 2.573 20 0 BFADLO c1ccc(NC[C@H]2OCCc3ccccc32)[nH+]c1 ZINC000364217317 183417583 /nfs/dbraw/zinc/41/75/83/183417583.db2.gz LWBNFTSYZRKWGT-CQSZACIVSA-N 1 2 240.306 2.808 20 0 BFADLO CCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000154582959 169323811 /nfs/dbraw/zinc/32/38/11/169323811.db2.gz HZRFGGJBVBAAIA-UHFFFAOYSA-N 1 2 202.257 2.661 20 0 BFADLO CCCSCC(=O)Nc1c(C)cc[nH+]c1C ZINC000362394770 169338154 /nfs/dbraw/zinc/33/81/54/169338154.db2.gz FRWOACDMAPYYTF-UHFFFAOYSA-N 1 2 238.356 2.780 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265080793 169348211 /nfs/dbraw/zinc/34/82/11/169348211.db2.gz XNZNHQCRODOKOI-VXGBXAGGSA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@@H](CC)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000362697606 169376903 /nfs/dbraw/zinc/37/69/03/169376903.db2.gz CMWDYYPYSNWEPF-GHMZBOCLSA-N 1 2 249.358 2.525 20 0 BFADLO CCC[C@@H](CC)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000362697606 169376904 /nfs/dbraw/zinc/37/69/04/169376904.db2.gz CMWDYYPYSNWEPF-GHMZBOCLSA-N 1 2 249.358 2.525 20 0 BFADLO CCC[C@@H](C[NH2+][C@H](C)C(=O)OC)c1ccccc1 ZINC000193097468 169385967 /nfs/dbraw/zinc/38/59/67/169385967.db2.gz QHFRZFZKEDHXIW-OCCSQVGLSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccc(C)o2)n1 ZINC000088576759 383912252 /nfs/dbraw/zinc/91/22/52/383912252.db2.gz VGDBLDTVYQMHLV-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccc(C)o2)n1 ZINC000088576759 383912260 /nfs/dbraw/zinc/91/22/60/383912260.db2.gz VGDBLDTVYQMHLV-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1Cl ZINC000112337777 383915368 /nfs/dbraw/zinc/91/53/68/383915368.db2.gz QCUYDSXWACOICY-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO c1cc(N2CCCC2)[nH+]cc1N[C@H]1CCSC1 ZINC000036982129 383923620 /nfs/dbraw/zinc/92/36/20/383923620.db2.gz WTJUHUHUANSADP-LBPRGKRZSA-N 1 2 249.383 2.599 20 0 BFADLO CCOc1cccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000066991224 383901892 /nfs/dbraw/zinc/90/18/92/383901892.db2.gz DMDBGNLXOFJTET-LLVKDONJSA-N 1 2 245.326 2.659 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccccn1)C(F)F ZINC000449358927 383975965 /nfs/dbraw/zinc/97/59/65/383975965.db2.gz GVQYEMUHVPHJAC-IUCAKERBSA-N 1 2 214.259 2.776 20 0 BFADLO CC[N@H+](CCCCCO)c1ccccc1 ZINC000049814077 384044636 /nfs/dbraw/zinc/04/46/36/384044636.db2.gz KEQQEWVNFWKSED-UHFFFAOYSA-N 1 2 207.317 2.676 20 0 BFADLO CC[N@@H+](CCCCCO)c1ccccc1 ZINC000049814077 384044640 /nfs/dbraw/zinc/04/46/40/384044640.db2.gz KEQQEWVNFWKSED-UHFFFAOYSA-N 1 2 207.317 2.676 20 0 BFADLO CCOc1cc(C)ccc1NCc1c[nH+]cn1C ZINC000090166961 384032249 /nfs/dbraw/zinc/03/22/49/384032249.db2.gz RQVPVXOMKTZLSK-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO Cn1ccc(CNc2ccc([NH+](C)C)cc2)c1 ZINC000091007428 384088806 /nfs/dbraw/zinc/08/88/06/384088806.db2.gz HTZBLYAJAAOREJ-UHFFFAOYSA-N 1 2 229.327 2.703 20 0 BFADLO COCC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803555 384075748 /nfs/dbraw/zinc/07/57/48/384075748.db2.gz OBWYPOWTDJFTKA-QMMMGPOBSA-N 1 2 248.248 2.937 20 0 BFADLO COC[C@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803312 384077178 /nfs/dbraw/zinc/07/71/78/384077178.db2.gz UIGQMSZTLRHUFO-MRVPVSSYSA-N 1 2 248.248 2.795 20 0 BFADLO C[C@H](CC(=O)N[C@H]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000560338775 384077692 /nfs/dbraw/zinc/07/76/92/384077692.db2.gz JVHPDPCOAPBIND-UPJWGTAASA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cccc(C[NH2+]C(CF)CF)c1F ZINC000449381241 384099167 /nfs/dbraw/zinc/09/91/67/384099167.db2.gz RDPBSOIDPKVGMZ-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCO3)CCO1 ZINC000070354470 384101750 /nfs/dbraw/zinc/10/17/50/384101750.db2.gz KFGUSVMRVYPSLH-ZWNOBZJWSA-N 1 2 233.311 2.601 20 0 BFADLO Cc1cncc([C@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000530471594 384102929 /nfs/dbraw/zinc/10/29/29/384102929.db2.gz OZUQLCIZRGDZME-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cnccn1 ZINC000070477979 384113089 /nfs/dbraw/zinc/11/30/89/384113089.db2.gz VDXVXMSARQPXNG-LLVKDONJSA-N 1 2 242.326 2.716 20 0 BFADLO Cc1noc(C)c1C[NH2+][C@H](C)c1nccs1 ZINC000070717640 384133846 /nfs/dbraw/zinc/13/38/46/384133846.db2.gz ODXROYQXWYYHEN-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000530484844 384124453 /nfs/dbraw/zinc/12/44/53/384124453.db2.gz DVVKJNVNWJPYTO-NXEZZACHSA-N 1 2 231.343 2.651 20 0 BFADLO c1nc(C[NH2+][C@H]2CCOc3ccccc32)cs1 ZINC000040421000 384151060 /nfs/dbraw/zinc/15/10/60/384151060.db2.gz IJMMZVARQRFHKB-LBPRGKRZSA-N 1 2 246.335 2.757 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccon1 ZINC000091993020 384158798 /nfs/dbraw/zinc/15/87/98/384158798.db2.gz CHQODVUUXRSHJD-CYBMUJFWSA-N 1 2 231.299 2.653 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccon1 ZINC000091993020 384158803 /nfs/dbraw/zinc/15/88/03/384158803.db2.gz CHQODVUUXRSHJD-CYBMUJFWSA-N 1 2 231.299 2.653 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2CCn3ccnc32)cc1 ZINC000294091377 384177997 /nfs/dbraw/zinc/17/79/97/384177997.db2.gz MBQDONWTJVUGIL-ZDUSSCGKSA-N 1 2 242.326 2.506 20 0 BFADLO CC(C)[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000092401559 384178817 /nfs/dbraw/zinc/17/88/17/384178817.db2.gz JVQXRNCKWOPRQO-CYBMUJFWSA-N 1 2 230.311 2.664 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000642699275 384201271 /nfs/dbraw/zinc/20/12/71/384201271.db2.gz GLNVZSCZCRGXMZ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000642699275 384201273 /nfs/dbraw/zinc/20/12/73/384201273.db2.gz GLNVZSCZCRGXMZ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)no1 ZINC000530962920 384191584 /nfs/dbraw/zinc/19/15/84/384191584.db2.gz UYZKBVGWFWLARN-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)no1 ZINC000530962920 384191587 /nfs/dbraw/zinc/19/15/87/384191587.db2.gz UYZKBVGWFWLARN-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO CCOc1ccc([NH2+]CCCCOC)cc1 ZINC000132545728 384235970 /nfs/dbraw/zinc/23/59/70/384235970.db2.gz NSYPVWGZEUMACE-UHFFFAOYSA-N 1 2 223.316 2.924 20 0 BFADLO c1cc2c(s1)C[N@H+](Cc1cscn1)CC2 ZINC000132571089 384239149 /nfs/dbraw/zinc/23/91/49/384239149.db2.gz FATSOISATYHYJH-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc2c(s1)C[N@@H+](Cc1cscn1)CC2 ZINC000132571089 384239154 /nfs/dbraw/zinc/23/91/54/384239154.db2.gz FATSOISATYHYJH-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072361375 384212845 /nfs/dbraw/zinc/21/28/45/384212845.db2.gz QMFIHAGKQUPYHL-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)c1 ZINC000072361375 384212852 /nfs/dbraw/zinc/21/28/52/384212852.db2.gz QMFIHAGKQUPYHL-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO CCC[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000158621426 384250254 /nfs/dbraw/zinc/25/02/54/384250254.db2.gz ZMNGELBRNBLTTE-GFCCVEGCSA-N 1 2 230.311 2.808 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)Cc1cn[nH]c1C ZINC000093871098 384277377 /nfs/dbraw/zinc/27/73/77/384277377.db2.gz LIJFILYDESVXTA-SNVBAGLBSA-N 1 2 241.404 2.682 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000093871098 384277384 /nfs/dbraw/zinc/27/73/84/384277384.db2.gz LIJFILYDESVXTA-SNVBAGLBSA-N 1 2 241.404 2.682 20 0 BFADLO Cc1csc(C[NH2+]Cc2nc(C)cs2)n1 ZINC000082725378 384259986 /nfs/dbraw/zinc/25/99/86/384259986.db2.gz BDEBCTOLCGVWNG-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cc1nc(N2CCC[C@H]2CF)c2c([nH+]1)CCCC2 ZINC000292675657 384264217 /nfs/dbraw/zinc/26/42/17/384264217.db2.gz DJTDMJWWXDMFNN-NSHDSACASA-N 1 2 249.333 2.602 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000119383893 384268458 /nfs/dbraw/zinc/26/84/58/384268458.db2.gz CLNQMHKMQHQTAL-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000119383893 384268464 /nfs/dbraw/zinc/26/84/64/384268464.db2.gz CLNQMHKMQHQTAL-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO COc1cc(F)ccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294044749 384272255 /nfs/dbraw/zinc/27/22/55/384272255.db2.gz IWQVWBLUBVLCCS-LLVKDONJSA-N 1 2 247.273 2.588 20 0 BFADLO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)CO1 ZINC000335441247 384282001 /nfs/dbraw/zinc/28/20/01/384282001.db2.gz RNBIDGXJHSPYSD-CBAPKCEASA-N 1 2 246.232 2.690 20 0 BFADLO C[C@@H]([NH2+]C/C=C\c1ccncc1)C(C)(F)F ZINC000449413361 384298839 /nfs/dbraw/zinc/29/88/39/384298839.db2.gz IBZHPMRSOVMWNH-UMBAGQNISA-N 1 2 226.270 2.728 20 0 BFADLO Cc1cc(N2CCOCC2)c2cccc(F)c2[nH+]1 ZINC000119723981 384299547 /nfs/dbraw/zinc/29/95/47/384299547.db2.gz SPCGKQIVCQLRBW-UHFFFAOYSA-N 1 2 246.285 2.519 20 0 BFADLO CC(C)c1cc(NC[C@H](C)O)nc(C(C)C)[nH+]1 ZINC000120206857 384336936 /nfs/dbraw/zinc/33/69/36/384336936.db2.gz CEZCFXOCOISMCQ-JTQLQIEISA-N 1 2 237.347 2.516 20 0 BFADLO CC(C)[N@H+](CC[C@@H]1CCOC1=O)c1ccccc1 ZINC000120225474 384341033 /nfs/dbraw/zinc/34/10/33/384341033.db2.gz HFRLXDBPPDKBKN-CYBMUJFWSA-N 1 2 247.338 2.855 20 0 BFADLO CC(C)[N@@H+](CC[C@@H]1CCOC1=O)c1ccccc1 ZINC000120225474 384341039 /nfs/dbraw/zinc/34/10/39/384341039.db2.gz HFRLXDBPPDKBKN-CYBMUJFWSA-N 1 2 247.338 2.855 20 0 BFADLO Cc1cc(C[NH+]2CCC(C(F)(F)F)CC2)no1 ZINC000075997706 384350752 /nfs/dbraw/zinc/35/07/52/384350752.db2.gz KXQPQKVDOYISHT-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1csnn1 ZINC000334147987 384354490 /nfs/dbraw/zinc/35/44/90/384354490.db2.gz XIWPYKRHJOZULC-JOYOIKCWSA-N 1 2 245.351 2.876 20 0 BFADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121235201 384404147 /nfs/dbraw/zinc/40/41/47/384404147.db2.gz SEXRRNHSEFWPPD-PWSUYJOCSA-N 1 2 233.315 2.700 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)c1ccccc1 ZINC000134974108 384404377 /nfs/dbraw/zinc/40/43/77/384404377.db2.gz FDGLZYDVNJDKHC-OLZOCXBDSA-N 1 2 235.327 2.679 20 0 BFADLO c1c[nH+]c(CNc2ccccc2OCC2CC2)[nH]1 ZINC000077466374 384409138 /nfs/dbraw/zinc/40/91/38/384409138.db2.gz SKHANDIXGSPMNG-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO CCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000121350258 384413497 /nfs/dbraw/zinc/41/34/97/384413497.db2.gz KJWKODPCTSJLFV-UHFFFAOYSA-N 1 2 221.304 2.702 20 0 BFADLO Fc1cc(C[NH+]2CC(C3CC3)C2)cc(F)c1F ZINC000643345131 384376826 /nfs/dbraw/zinc/37/68/26/384376826.db2.gz CNEUKTSOQQWLKK-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1COC1 ZINC000449428213 384380315 /nfs/dbraw/zinc/38/03/15/384380315.db2.gz UTWYCSPCKJDXBH-GXFFZTMASA-N 1 2 235.327 2.624 20 0 BFADLO CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1COC1 ZINC000449428213 384380323 /nfs/dbraw/zinc/38/03/23/384380323.db2.gz UTWYCSPCKJDXBH-GXFFZTMASA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1ccncc1F ZINC000335606544 384381050 /nfs/dbraw/zinc/38/10/50/384381050.db2.gz BXCWCDQPCZXNCQ-VIFPVBQESA-N 1 2 217.247 2.789 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076149734 384444468 /nfs/dbraw/zinc/44/44/68/384444468.db2.gz DWKONOBOGMZCKN-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076149734 384444474 /nfs/dbraw/zinc/44/44/74/384444474.db2.gz DWKONOBOGMZCKN-MNOVXSKESA-N 1 2 237.347 2.813 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(C(C)C)on1 ZINC000121695073 384432151 /nfs/dbraw/zinc/43/21/51/384432151.db2.gz LHFGAWQGOUIGCR-UHFFFAOYSA-N 1 2 245.282 2.754 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1cscn1 ZINC000161142241 384466599 /nfs/dbraw/zinc/46/65/99/384466599.db2.gz FPPTVRVJGUBIAV-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000122692220 384502817 /nfs/dbraw/zinc/50/28/17/384502817.db2.gz VJGJJFHVIWXNSD-SNVBAGLBSA-N 1 2 247.342 2.962 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000122692029 384503137 /nfs/dbraw/zinc/50/31/37/384503137.db2.gz VJGJJFHVIWXNSD-JTQLQIEISA-N 1 2 247.342 2.962 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000533538741 384519423 /nfs/dbraw/zinc/51/94/23/384519423.db2.gz XOZMKXBQGCXDOI-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000533538741 384519428 /nfs/dbraw/zinc/51/94/28/384519428.db2.gz XOZMKXBQGCXDOI-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC=C(C)C)[C@H](C)CC ZINC000183591399 384547596 /nfs/dbraw/zinc/54/75/96/384547596.db2.gz POIAYTTZDFFHNY-NEPJUHHUSA-N 1 2 227.348 2.520 20 0 BFADLO CSc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714503 384557355 /nfs/dbraw/zinc/55/73/55/384557355.db2.gz FCEASESMCNVBCZ-UHFFFAOYSA-N 1 2 219.313 2.744 20 0 BFADLO Cc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000049714465 384557791 /nfs/dbraw/zinc/55/77/91/384557791.db2.gz PNJYIJDHUFPTOM-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO CCOc1ccc(NCc2[nH]cc[nH+]2)c(C)c1 ZINC000049715568 384561967 /nfs/dbraw/zinc/56/19/67/384561967.db2.gz XBMMNWXNMNUWKU-UHFFFAOYSA-N 1 2 231.299 2.729 20 0 BFADLO Cc1cc(N2CCSC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000172374632 384575545 /nfs/dbraw/zinc/57/55/45/384575545.db2.gz HVQSDIOTMKVUNO-SNVBAGLBSA-N 1 2 249.383 2.604 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cccc2c1OCO2 ZINC000162148646 384580400 /nfs/dbraw/zinc/58/04/00/384580400.db2.gz PGTGFIKEIPRDGB-UHFFFAOYSA-N 1 2 245.278 2.640 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cccc2c1OCO2 ZINC000162148646 384580404 /nfs/dbraw/zinc/58/04/04/384580404.db2.gz PGTGFIKEIPRDGB-UHFFFAOYSA-N 1 2 245.278 2.640 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000151436989 384580562 /nfs/dbraw/zinc/58/05/62/384580562.db2.gz BXABFPBYFWGDCZ-NWDGAFQWSA-N 1 2 249.358 2.791 20 0 BFADLO CC(C)[C@@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000080789844 384580966 /nfs/dbraw/zinc/58/09/66/384580966.db2.gz VRIPHVYFKFVDJA-SECBINFHSA-N 1 2 248.248 2.529 20 0 BFADLO FC(F)(F)CCCNc1cccc[nH+]1 ZINC000097987321 384582181 /nfs/dbraw/zinc/58/21/81/384582181.db2.gz PQHUOPXDSNNHNX-UHFFFAOYSA-N 1 2 204.195 2.836 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000162461410 384626332 /nfs/dbraw/zinc/62/63/32/384626332.db2.gz ZORNFOCOCXOXSI-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000162461410 384626340 /nfs/dbraw/zinc/62/63/40/384626340.db2.gz ZORNFOCOCXOXSI-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000162740017 384674712 /nfs/dbraw/zinc/67/47/12/384674712.db2.gz OCRZCBBQJCCDFA-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000162740017 384674717 /nfs/dbraw/zinc/67/47/17/384674717.db2.gz OCRZCBBQJCCDFA-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(Cl)cc2)n1C ZINC000309816012 384642704 /nfs/dbraw/zinc/64/27/04/384642704.db2.gz ASQHYCSLDYBVMG-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1ccc(Cl)c(NCc2[nH+]ccn2C)c1 ZINC000124508670 384644771 /nfs/dbraw/zinc/64/47/71/384644771.db2.gz QFBXQNSZZIISDF-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1[nH]c(C(=O)NC(C)(C)CC(C)(C)C)c[nH+]1 ZINC000082268221 384655959 /nfs/dbraw/zinc/65/59/59/384655959.db2.gz GQQFJLYOYVCIBH-UHFFFAOYSA-N 1 2 237.347 2.663 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2ccc(N)[nH+]c2)c1 ZINC000647537791 384661544 /nfs/dbraw/zinc/66/15/44/384661544.db2.gz KSCXRHIWWZMFKS-UHFFFAOYSA-N 1 2 241.338 2.747 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000173451953 384680921 /nfs/dbraw/zinc/68/09/21/384680921.db2.gz WCAZBCJTSFBVBW-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000173451953 384680929 /nfs/dbraw/zinc/68/09/29/384680929.db2.gz WCAZBCJTSFBVBW-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO CC[C@H](C)[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000049832434 384682753 /nfs/dbraw/zinc/68/27/53/384682753.db2.gz DZLJGFHXNRVTFR-OBJOEFQTSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1cc(NCCC(C)(F)F)nc(C(C)C)[nH+]1 ZINC000357757914 384685216 /nfs/dbraw/zinc/68/52/16/384685216.db2.gz GJTXRBPEOVZURW-UHFFFAOYSA-N 1 2 243.301 2.788 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000356995274 384688534 /nfs/dbraw/zinc/68/85/34/384688534.db2.gz GQIUJCKHVQOJQG-NWDGAFQWSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000356995274 384688539 /nfs/dbraw/zinc/68/85/39/384688539.db2.gz GQIUJCKHVQOJQG-NWDGAFQWSA-N 1 2 238.331 2.545 20 0 BFADLO Fc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1F ZINC000294235225 384690760 /nfs/dbraw/zinc/69/07/60/384690760.db2.gz VRXFPZTWWLPKTD-NSHDSACASA-N 1 2 235.237 2.718 20 0 BFADLO Cc1cc[nH+]c(NCC2(CO)CCC2)c1Cl ZINC000309882928 384692399 /nfs/dbraw/zinc/69/23/99/384692399.db2.gz WKPYONSGCBWTSJ-UHFFFAOYSA-N 1 2 240.734 2.618 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1cccs1)C(=O)OC ZINC000037966704 384694494 /nfs/dbraw/zinc/69/44/94/384694494.db2.gz HOQFGTXPWVCTSM-GFCCVEGCSA-N 1 2 241.356 2.570 20 0 BFADLO CC(C)CCCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000448768100 384700245 /nfs/dbraw/zinc/70/02/45/384700245.db2.gz AHNUWPKBZHGSJL-UHFFFAOYSA-N 1 2 249.358 2.912 20 0 BFADLO CCc1cnc(C[NH2+]Cc2ccoc2C)s1 ZINC000309912594 384705225 /nfs/dbraw/zinc/70/52/25/384705225.db2.gz NOSNCOUWGMJZCA-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000185345220 384709586 /nfs/dbraw/zinc/70/95/86/384709586.db2.gz OVDSDKZWAPMSPC-MNOVXSKESA-N 1 2 218.300 2.621 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3cocn3)CCC2)c1 ZINC000647233369 384715848 /nfs/dbraw/zinc/71/58/48/384715848.db2.gz MJRKZOKWPKKYCR-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO CSc1cc(CNc2cccc[nH+]2)ccn1 ZINC000309931439 384722694 /nfs/dbraw/zinc/72/26/94/384722694.db2.gz YEVULMDJWNFIQS-UHFFFAOYSA-N 1 2 231.324 2.811 20 0 BFADLO CC(C)[C@H]1C[N@H+](Cc2cscn2)CCS1 ZINC000174332285 384778389 /nfs/dbraw/zinc/77/83/89/384778389.db2.gz PAWJYHGFXXEKHZ-LLVKDONJSA-N 1 2 242.413 2.717 20 0 BFADLO CC(C)[C@H]1C[N@@H+](Cc2cscn2)CCS1 ZINC000174332285 384778397 /nfs/dbraw/zinc/77/83/97/384778397.db2.gz PAWJYHGFXXEKHZ-LLVKDONJSA-N 1 2 242.413 2.717 20 0 BFADLO COc1cc(C)[nH+]c(CN2CC3(C2)CCCC3)c1 ZINC000643884929 384729416 /nfs/dbraw/zinc/72/94/16/384729416.db2.gz XGHUAOPUNUDLIV-UHFFFAOYSA-N 1 2 246.354 2.775 20 0 BFADLO CCc1cnc(C[N@@H+]2CCc3ccsc3C2)o1 ZINC000536368727 384741479 /nfs/dbraw/zinc/74/14/79/384741479.db2.gz LZJWMZWFXIXYPB-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1cnc(C[N@H+]2CCc3ccsc3C2)o1 ZINC000536368727 384741486 /nfs/dbraw/zinc/74/14/86/384741486.db2.gz LZJWMZWFXIXYPB-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2cc(C)no2)o1 ZINC000125709017 384742622 /nfs/dbraw/zinc/74/26/22/384742622.db2.gz DFGIDIQTPBFQHY-JTQLQIEISA-N 1 2 234.299 2.989 20 0 BFADLO Fc1cc(F)c(C[NH2+]Cc2ccco2)cc1F ZINC000083368968 384764665 /nfs/dbraw/zinc/76/46/65/384764665.db2.gz VVSMSWJWVVIFMY-UHFFFAOYSA-N 1 2 241.212 2.987 20 0 BFADLO COC[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000053174071 384769753 /nfs/dbraw/zinc/76/97/53/384769753.db2.gz KJZYWAFMZTYMDB-GFCCVEGCSA-N 1 2 234.343 2.734 20 0 BFADLO Cc1ccc(N[C@@H]2CSC[C@@H]2C)c[nH+]1 ZINC000295871531 384798032 /nfs/dbraw/zinc/79/80/32/384798032.db2.gz XKIACBVYEPRGKZ-GZMMTYOYSA-N 1 2 208.330 2.553 20 0 BFADLO C[C@@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000175287159 384888756 /nfs/dbraw/zinc/88/87/56/384888756.db2.gz KHASUZBRBCEKMI-PWSUYJOCSA-N 1 2 247.342 2.509 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccccn2)o1 ZINC000536471924 384860989 /nfs/dbraw/zinc/86/09/89/384860989.db2.gz XAKUERZCIXBBQC-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccccn2)o1 ZINC000536471924 384860994 /nfs/dbraw/zinc/86/09/94/384860994.db2.gz XAKUERZCIXBBQC-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO C[C@H](C1CC1)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000071950750 384863659 /nfs/dbraw/zinc/86/36/59/384863659.db2.gz RPSILOLNTRFZEU-SECBINFHSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@H](C1CC1)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000071950750 384863664 /nfs/dbraw/zinc/86/36/64/384863664.db2.gz RPSILOLNTRFZEU-SECBINFHSA-N 1 2 237.347 2.597 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccc(C)c(C)n2)cs1 ZINC000314216499 384863928 /nfs/dbraw/zinc/86/39/28/384863928.db2.gz UGVPTJNKWFGVNL-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO C[C@@H](C1CC1)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000071950749 384864042 /nfs/dbraw/zinc/86/40/42/384864042.db2.gz RPSILOLNTRFZEU-VIFPVBQESA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H](C1CC1)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000071950749 384864044 /nfs/dbraw/zinc/86/40/44/384864044.db2.gz RPSILOLNTRFZEU-VIFPVBQESA-N 1 2 237.347 2.597 20 0 BFADLO Cc1ccoc1CNc1c[nH+]ccc1C ZINC000119002972 384956681 /nfs/dbraw/zinc/95/66/81/384956681.db2.gz AJQSCBSYJCUGOE-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CSC[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301517670 384892053 /nfs/dbraw/zinc/89/20/53/384892053.db2.gz GTRZBWKEHUIUET-SECBINFHSA-N 1 2 239.388 2.938 20 0 BFADLO CC(C)(C)c1nc(NC2CC=CC2)cc[nH+]1 ZINC000301616035 384903421 /nfs/dbraw/zinc/90/34/21/384903421.db2.gz BVPCZPHAJNEOOY-UHFFFAOYSA-N 1 2 217.316 2.905 20 0 BFADLO Cc1cc[nH+]c(NC[C@H]2CC[C@H](O)C2)c1Cl ZINC000336495861 384912262 /nfs/dbraw/zinc/91/22/62/384912262.db2.gz JDYVWADMBAZNPY-UWVGGRQHSA-N 1 2 240.734 2.616 20 0 BFADLO CSc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000085167676 384925724 /nfs/dbraw/zinc/92/57/24/384925724.db2.gz MGQGVUINMBBYLG-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO C[C@H](F)CCNc1ccc2ccccc2[nH+]1 ZINC000338756846 384945534 /nfs/dbraw/zinc/94/55/34/384945534.db2.gz SBRNMUXNMJFONY-JTQLQIEISA-N 1 2 218.275 2.817 20 0 BFADLO CCCCCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000057775745 384967115 /nfs/dbraw/zinc/96/71/15/384967115.db2.gz VAQSLXAJPKBFMX-UHFFFAOYSA-N 1 2 245.326 2.644 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCCC1(C)C ZINC000279142815 384970592 /nfs/dbraw/zinc/97/05/92/384970592.db2.gz YKTFHHILOOCHBE-LLVKDONJSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1nc(C[NH2+][C@@H](c2ccccc2)C2CC2)no1 ZINC000128076544 384989252 /nfs/dbraw/zinc/98/92/52/384989252.db2.gz KVMMLVDFAWUEKR-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCCO1 ZINC000128115324 384997110 /nfs/dbraw/zinc/99/71/10/384997110.db2.gz MRKPHRWLHHNRSI-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[N@H+](Cc1c(F)cccc1F)C[C@@H]1CCCO1 ZINC000128115324 384997117 /nfs/dbraw/zinc/99/71/17/384997117.db2.gz MRKPHRWLHHNRSI-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2cccc(O)c2)o1 ZINC000530662431 385005214 /nfs/dbraw/zinc/00/52/14/385005214.db2.gz CEVUQCYJCOYFHU-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2cccc(O)c2)o1 ZINC000530662431 385005219 /nfs/dbraw/zinc/00/52/19/385005219.db2.gz CEVUQCYJCOYFHU-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO Cc1csc(C[NH2+]Cc2cc(C)ns2)n1 ZINC000404485654 385020998 /nfs/dbraw/zinc/02/09/98/385020998.db2.gz KJFUWLZZMQOHNI-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](COC)c2ccco2)o1 ZINC000150931309 385072040 /nfs/dbraw/zinc/07/20/40/385072040.db2.gz HLQUBDKGHHPVPT-ZDUSSCGKSA-N 1 2 249.310 2.912 20 0 BFADLO Cc1ccoc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150905132 385074321 /nfs/dbraw/zinc/07/43/21/385074321.db2.gz ALTXZFUHLSYFFW-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176186368 385032871 /nfs/dbraw/zinc/03/28/71/385032871.db2.gz QVQIZOMDGZVMRY-RMKNXTFCSA-N 1 2 218.300 2.993 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccccc1Cl ZINC000115576411 385042294 /nfs/dbraw/zinc/04/22/94/385042294.db2.gz OKGUDSZABFUGSW-LBPRGKRZSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccccc1Cl ZINC000115576411 385042298 /nfs/dbraw/zinc/04/22/98/385042298.db2.gz OKGUDSZABFUGSW-LBPRGKRZSA-N 1 2 239.746 2.951 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000176723776 385141467 /nfs/dbraw/zinc/14/14/67/385141467.db2.gz FDPDEMJOEQNULG-VIFPVBQESA-N 1 2 233.315 2.618 20 0 BFADLO CS[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000227357821 385122575 /nfs/dbraw/zinc/12/25/75/385122575.db2.gz GBIPPGVOYHBHLQ-MNOVXSKESA-N 1 2 237.372 2.871 20 0 BFADLO CC[C@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000176748768 385142313 /nfs/dbraw/zinc/14/23/13/385142313.db2.gz DLRATSJSUJQYCY-LBPRGKRZSA-N 1 2 247.342 2.962 20 0 BFADLO CCOCc1cccc(NCc2c[nH+]cn2C)c1 ZINC000128927141 385090452 /nfs/dbraw/zinc/09/04/52/385090452.db2.gz VLQOWSVUCHYQPC-UHFFFAOYSA-N 1 2 245.326 2.569 20 0 BFADLO CC[C@H](CNc1cc(C(F)(F)F)cc[nH+]1)OC ZINC000310508109 385098610 /nfs/dbraw/zinc/09/86/10/385098610.db2.gz TXVBBXZUQZQDEF-SECBINFHSA-N 1 2 248.248 2.937 20 0 BFADLO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000643800688 385099874 /nfs/dbraw/zinc/09/98/74/385099874.db2.gz USBINWMHCBPPDY-AAEUAGOBSA-N 1 2 248.326 2.870 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000643800690 385101867 /nfs/dbraw/zinc/10/18/67/385101867.db2.gz USBINWMHCBPPDY-WCQYABFASA-N 1 2 248.326 2.870 20 0 BFADLO Cc1ccc(NC(=O)C2[C@@H]3CCC[C@H]23)c(C)[nH+]1 ZINC000176513978 385104886 /nfs/dbraw/zinc/10/48/86/385104886.db2.gz DSDGGIKRBUGDGX-QYJAPNMZSA-N 1 2 230.311 2.683 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165319293 385105470 /nfs/dbraw/zinc/10/54/70/385105470.db2.gz XIFCHNPWHWEWCS-NEPJUHHUSA-N 1 2 249.358 2.517 20 0 BFADLO c1c(CSC[C@@H]2CCCO2)[nH+]c2ccccn12 ZINC000176896714 385158277 /nfs/dbraw/zinc/15/82/77/385158277.db2.gz HXSUOYLEKPTRRW-LBPRGKRZSA-N 1 2 248.351 2.747 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccccn1 ZINC000294148996 385165166 /nfs/dbraw/zinc/16/51/66/385165166.db2.gz PWUARTKWOWCURF-NTZNESFSSA-N 1 2 242.326 2.635 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccoc2C)n1 ZINC000129583715 385166748 /nfs/dbraw/zinc/16/67/48/385166748.db2.gz HLYUWXPESAVHPN-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccoc2C)n1 ZINC000129583715 385166751 /nfs/dbraw/zinc/16/67/51/385166751.db2.gz HLYUWXPESAVHPN-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@]1(F)c1ccccc1)c1ncc[nH]1 ZINC000424327385 385167179 /nfs/dbraw/zinc/16/71/79/385167179.db2.gz PUJMPCZDTXCELN-JKOKRWQUSA-N 1 2 245.301 2.698 20 0 BFADLO C[C@H](N[C@H]1C[C@]1(F)c1ccccc1)c1[nH]cc[nH+]1 ZINC000424327385 385167183 /nfs/dbraw/zinc/16/71/83/385167183.db2.gz PUJMPCZDTXCELN-JKOKRWQUSA-N 1 2 245.301 2.698 20 0 BFADLO Cc1ccn(C)c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000190079468 385210274 /nfs/dbraw/zinc/21/02/74/385210274.db2.gz IIUQAULFRHHKLA-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CC(C)c1nc(NCCOC2CCCC2)cc[nH+]1 ZINC000110239824 385225177 /nfs/dbraw/zinc/22/51/77/385225177.db2.gz UUHLFZXKBLVCKT-UHFFFAOYSA-N 1 2 249.358 2.971 20 0 BFADLO Fc1cccc(C[N@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000130158391 385225239 /nfs/dbraw/zinc/22/52/39/385225239.db2.gz WGPAEDCQHAWDTQ-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000130158391 385225240 /nfs/dbraw/zinc/22/52/40/385225240.db2.gz WGPAEDCQHAWDTQ-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO CO[C@@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000167326258 385308274 /nfs/dbraw/zinc/30/82/74/385308274.db2.gz HRVQOTNGXKHCPB-NSHDSACASA-N 1 2 218.300 2.688 20 0 BFADLO CC1(C)CCC(CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000131164557 385314615 /nfs/dbraw/zinc/31/46/15/385314615.db2.gz AAQSCYBRANOYJI-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CSCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000308904919 385276938 /nfs/dbraw/zinc/27/69/38/385276938.db2.gz LZLXLBGOUUWQCR-SNVBAGLBSA-N 1 2 231.311 2.945 20 0 BFADLO Fc1cc(Cl)cc(C[NH2+]CC(F)F)c1 ZINC000168266120 385329824 /nfs/dbraw/zinc/32/98/24/385329824.db2.gz JZVQBUNMBMOPIR-UHFFFAOYSA-N 1 2 223.625 2.834 20 0 BFADLO CC(C)c1nc(NCc2nccs2)cc[nH+]1 ZINC000110219160 385388783 /nfs/dbraw/zinc/38/87/83/385388783.db2.gz VQBUSZVEQOIBTF-UHFFFAOYSA-N 1 2 234.328 2.669 20 0 BFADLO Fc1ccc(C[N@H+](Cc2cocn2)C2CC2)cc1 ZINC000191918801 385332077 /nfs/dbraw/zinc/33/20/77/385332077.db2.gz JHRGFWBDGYERRB-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2cocn2)C2CC2)cc1 ZINC000191918801 385332080 /nfs/dbraw/zinc/33/20/80/385332080.db2.gz JHRGFWBDGYERRB-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cocn1 ZINC000191941276 385333932 /nfs/dbraw/zinc/33/39/32/385333932.db2.gz UZZCBTMUZZLRSS-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cocn1 ZINC000191941276 385333936 /nfs/dbraw/zinc/33/39/36/385333936.db2.gz UZZCBTMUZZLRSS-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000191948819 385336280 /nfs/dbraw/zinc/33/62/80/385336280.db2.gz RGFSBPXSHARSDB-AWEZNQCLSA-N 1 2 245.326 2.740 20 0 BFADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cocn1 ZINC000191948819 385336283 /nfs/dbraw/zinc/33/62/83/385336283.db2.gz RGFSBPXSHARSDB-AWEZNQCLSA-N 1 2 245.326 2.740 20 0 BFADLO CS[C@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC000154668276 385345618 /nfs/dbraw/zinc/34/56/18/385345618.db2.gz AMVFOZZNIXPIFL-NSHDSACASA-N 1 2 237.372 2.507 20 0 BFADLO Cc1[nH]c(C(=O)NC2CCC(C(C)C)CC2)c[nH+]1 ZINC000407998572 385346908 /nfs/dbraw/zinc/34/69/08/385346908.db2.gz SIHNPIDAKKXCOB-UHFFFAOYSA-N 1 2 249.358 2.663 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000179153506 385371157 /nfs/dbraw/zinc/37/11/57/385371157.db2.gz MCWSNEUNNKALKB-BXUZGUMPSA-N 1 2 247.338 2.679 20 0 BFADLO Fc1ccc(C[N@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000155233118 385382484 /nfs/dbraw/zinc/38/24/84/385382484.db2.gz MQIOQWBAAYSHOL-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2cc[nH]n2)C2CC2)cc1 ZINC000155233118 385382486 /nfs/dbraw/zinc/38/24/86/385382486.db2.gz MQIOQWBAAYSHOL-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Cc1nc(N[C@H]2CC23CCCCC3)cc[nH+]1 ZINC000181264839 385404880 /nfs/dbraw/zinc/40/48/80/385404880.db2.gz IEJBPTOQRJYJHK-NSHDSACASA-N 1 2 217.316 2.920 20 0 BFADLO C[C@H]1OCC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000360802512 385408113 /nfs/dbraw/zinc/40/81/13/385408113.db2.gz DJSOSGLXMUKSLO-ZWNOBZJWSA-N 1 2 232.327 2.550 20 0 BFADLO Cn1cc[nH+]c1CN1CCCCc2ccccc21 ZINC000178718471 385413899 /nfs/dbraw/zinc/41/38/99/385413899.db2.gz MBTCFAXBPPWSLU-UHFFFAOYSA-N 1 2 241.338 2.763 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2cccs2)no1 ZINC000182554530 385457680 /nfs/dbraw/zinc/45/76/80/385457680.db2.gz RTOJEFQGJMBUEG-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000182560337 385458361 /nfs/dbraw/zinc/45/83/61/385458361.db2.gz QSLJOIBECTZZFP-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CC(C)n1cc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000179487097 385469005 /nfs/dbraw/zinc/46/90/05/385469005.db2.gz RSQIOUHMPYQIRW-UHFFFAOYSA-N 1 2 241.338 2.980 20 0 BFADLO Cc1cnc(C[NH2+]C2(c3cccc(F)c3)CC2)o1 ZINC000179694082 385484169 /nfs/dbraw/zinc/48/41/69/385484169.db2.gz TXJNAYNHOXFPNX-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@H]2C1 ZINC000179315402 385458945 /nfs/dbraw/zinc/45/89/45/385458945.db2.gz ITAAVKYYZYPENP-RYUDHWBXSA-N 1 2 241.338 2.810 20 0 BFADLO FC1(F)CC[C@H](CNc2cccc[nH+]2)C1 ZINC000281928867 385459248 /nfs/dbraw/zinc/45/92/48/385459248.db2.gz HRQZFTPYVBSPJK-VIFPVBQESA-N 1 2 212.243 2.929 20 0 BFADLO CCCC(C)(C)CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616927915 385487778 /nfs/dbraw/zinc/48/77/78/385487778.db2.gz TXAFGLGJBIFUMI-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CCCC(C)(C)CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616927915 385487782 /nfs/dbraw/zinc/48/77/82/385487782.db2.gz TXAFGLGJBIFUMI-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CC(C)c1nc(N[C@H](C)C[C@H]2CCCO2)cc[nH+]1 ZINC000110484555 385493203 /nfs/dbraw/zinc/49/32/03/385493203.db2.gz PQKFHMRWVQIDLY-VXGBXAGGSA-N 1 2 249.358 2.970 20 0 BFADLO CC(C)c1nc(N2CCS[C@H](C)C2)cc[nH+]1 ZINC000110541005 385494283 /nfs/dbraw/zinc/49/42/83/385494283.db2.gz ZTIALECXZTVLJV-SNVBAGLBSA-N 1 2 237.372 2.542 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC000179893012 385498306 /nfs/dbraw/zinc/49/83/06/385498306.db2.gz GIMHFYPWZOPGBS-SNVBAGLBSA-N 1 2 232.327 2.726 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000183072046 385505471 /nfs/dbraw/zinc/50/54/71/385505471.db2.gz AVLUIBXXFWBJIV-WCQYABFASA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000183072060 385505873 /nfs/dbraw/zinc/50/58/73/385505873.db2.gz AVLUIBXXFWBJIV-DGCLKSJQSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000183072094 385505889 /nfs/dbraw/zinc/50/58/89/385505889.db2.gz AVLUIBXXFWBJIV-YPMHNXCESA-N 1 2 247.338 2.849 20 0 BFADLO c1coc(C[N@@H+](Cc2cnc[nH]2)C2CCCC2)c1 ZINC000180074845 385505987 /nfs/dbraw/zinc/50/59/87/385505987.db2.gz QLNCFHUTCAHEAW-UHFFFAOYSA-N 1 2 245.326 2.948 20 0 BFADLO c1coc(C[N@H+](Cc2cnc[nH]2)C2CCCC2)c1 ZINC000180074845 385505989 /nfs/dbraw/zinc/50/59/89/385505989.db2.gz QLNCFHUTCAHEAW-UHFFFAOYSA-N 1 2 245.326 2.948 20 0 BFADLO CC(C)c1nc(NCCc2cccnc2)cc[nH+]1 ZINC000106463926 385509945 /nfs/dbraw/zinc/50/99/45/385509945.db2.gz VJFZWTZHWSUACC-UHFFFAOYSA-N 1 2 242.326 2.650 20 0 BFADLO CC(C)n1ccc(NCc2c[nH+]cn2C(C)C)n1 ZINC000302325359 385513305 /nfs/dbraw/zinc/51/33/05/385513305.db2.gz QVDTUZHJCFPTEZ-UHFFFAOYSA-N 1 2 247.346 2.854 20 0 BFADLO C1=C(C2CCCCC2)N2CC[NH+]=C2S1 ZINC000180237799 385515742 /nfs/dbraw/zinc/51/57/42/385515742.db2.gz OAXOLLKHPGVIIU-UHFFFAOYSA-N 1 2 208.330 2.827 20 0 BFADLO CC[N@H+](Cc1ncc[nH]1)Cc1cccc(F)c1 ZINC000109826586 385489123 /nfs/dbraw/zinc/48/91/23/385489123.db2.gz SQNNEKUHASGQPJ-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1ncc[nH]1)Cc1cccc(F)c1 ZINC000109826586 385489124 /nfs/dbraw/zinc/48/91/24/385489124.db2.gz SQNNEKUHASGQPJ-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CCN(Cc1[nH]cc[nH+]1)Cc1cccc(F)c1 ZINC000109826586 385489127 /nfs/dbraw/zinc/48/91/27/385489127.db2.gz SQNNEKUHASGQPJ-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccn1 ZINC000171810561 385519544 /nfs/dbraw/zinc/51/95/44/385519544.db2.gz PCRQFKGOMRLPMS-JTQLQIEISA-N 1 2 240.310 2.922 20 0 BFADLO Cc1c([C@H](C)[NH2+]C/C(Cl)=C/Cl)cnn1C ZINC000183315519 385520396 /nfs/dbraw/zinc/52/03/96/385520396.db2.gz PASYILPMGSUXNY-YHESJLBYSA-N 1 2 248.157 2.698 20 0 BFADLO CCCCCOCC(=O)Nc1cc[nH+]cc1C ZINC000107291542 385561817 /nfs/dbraw/zinc/56/18/17/385561817.db2.gz OTFHPSAXTXLVMT-UHFFFAOYSA-N 1 2 236.315 2.535 20 0 BFADLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000181345681 385572590 /nfs/dbraw/zinc/57/25/90/385572590.db2.gz QVPOAIOGDSDPNC-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000337380960 385621749 /nfs/dbraw/zinc/62/17/49/385621749.db2.gz CFCKDXCGKUDHLC-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000337380960 385621757 /nfs/dbraw/zinc/62/17/57/385621757.db2.gz CFCKDXCGKUDHLC-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)(F)CCNc1cc[nH+]c(C2CC2)n1 ZINC000309518080 385652686 /nfs/dbraw/zinc/65/26/86/385652686.db2.gz AQAUKJGNXBNWPS-UHFFFAOYSA-N 1 2 231.221 2.718 20 0 BFADLO Clc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000293576835 385654225 /nfs/dbraw/zinc/65/42/25/385654225.db2.gz AIWFJHLBZHITBS-LBPRGKRZSA-N 1 2 247.729 2.771 20 0 BFADLO CCCC(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000281471345 385673838 /nfs/dbraw/zinc/67/38/38/385673838.db2.gz CQBQXCXCBCYPSB-LBPRGKRZSA-N 1 2 249.358 2.757 20 0 BFADLO C[N@@H+](Cc1cccc2cc[nH]c21)CC(F)F ZINC000337472331 385677621 /nfs/dbraw/zinc/67/76/21/385677621.db2.gz QEGNSRKZGVHCIB-UHFFFAOYSA-N 1 2 224.254 2.865 20 0 BFADLO C[N@H+](Cc1cccc2cc[nH]c21)CC(F)F ZINC000337472331 385677627 /nfs/dbraw/zinc/67/76/27/385677627.db2.gz QEGNSRKZGVHCIB-UHFFFAOYSA-N 1 2 224.254 2.865 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC2CCC1CC2 ZINC000340040646 385717155 /nfs/dbraw/zinc/71/71/55/385717155.db2.gz MYRXNOXDBBCLJG-BPCQOVAHSA-N 1 2 244.338 2.577 20 0 BFADLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)c1cccs1 ZINC000182543043 385679618 /nfs/dbraw/zinc/67/96/18/385679618.db2.gz DGDDQFYDMBQHJJ-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO COc1cc(C)[nH+]c(CS[C@H](C)C(C)=O)c1 ZINC000270172112 385681149 /nfs/dbraw/zinc/68/11/49/385681149.db2.gz WWNVHVYWORUUIX-SNVBAGLBSA-N 1 2 239.340 2.609 20 0 BFADLO F[C@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309546352 385681262 /nfs/dbraw/zinc/68/12/62/385681262.db2.gz BVHKPEIDDVLEKX-UWVGGRQHSA-N 1 2 221.279 2.657 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccc(C)cc1 ZINC000184697833 385693875 /nfs/dbraw/zinc/69/38/75/385693875.db2.gz ZNCFMROZKUFRAP-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000414558161 385769332 /nfs/dbraw/zinc/76/93/32/385769332.db2.gz RPKKPEVNUVHWRQ-UHFFFAOYSA-N 1 2 245.351 2.705 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)no1)c1nccs1 ZINC000185085235 385719290 /nfs/dbraw/zinc/71/92/90/385719290.db2.gz NVQIZRQDURELTB-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO Cc1nn(C(C)C)cc1CNc1cc[nH+]cc1F ZINC000281978929 385721191 /nfs/dbraw/zinc/72/11/91/385721191.db2.gz UADOVWDEKPDFLR-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO CC/C=C/CCSc1nc(N)cc(C)[nH+]1 ZINC000185329990 385726253 /nfs/dbraw/zinc/72/62/53/385726253.db2.gz BYRQOPRZCUSVJW-SNAWJCMRSA-N 1 2 223.345 2.816 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)on1 ZINC000270651169 385727248 /nfs/dbraw/zinc/72/72/48/385727248.db2.gz LVVVDJCECLITIN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)on1 ZINC000270651169 385727250 /nfs/dbraw/zinc/72/72/50/385727250.db2.gz LVVVDJCECLITIN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCOCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000284227635 385856949 /nfs/dbraw/zinc/85/69/49/385856949.db2.gz KBVJRONBHQDQMP-SNVBAGLBSA-N 1 2 242.750 2.555 20 0 BFADLO CCOCC[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000284227635 385856952 /nfs/dbraw/zinc/85/69/52/385856952.db2.gz KBVJRONBHQDQMP-SNVBAGLBSA-N 1 2 242.750 2.555 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283292181 385816308 /nfs/dbraw/zinc/81/63/08/385816308.db2.gz WYPTVAHMOHLLGB-GWJCSSMESA-N 1 2 247.342 2.604 20 0 BFADLO Fc1ccc2oc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2c1 ZINC000644836635 385844040 /nfs/dbraw/zinc/84/40/40/385844040.db2.gz DODYNXLTCBRAEE-GXTWGEPZSA-N 1 2 247.269 2.545 20 0 BFADLO Fc1ccc2oc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2c1 ZINC000644836635 385844046 /nfs/dbraw/zinc/84/40/46/385844046.db2.gz DODYNXLTCBRAEE-GXTWGEPZSA-N 1 2 247.269 2.545 20 0 BFADLO Fc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000271682571 385846316 /nfs/dbraw/zinc/84/63/16/385846316.db2.gz ZNJAREOEMIJTQT-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000271682571 385846317 /nfs/dbraw/zinc/84/63/17/385846317.db2.gz ZNJAREOEMIJTQT-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO CC[C@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284145538 385854396 /nfs/dbraw/zinc/85/43/96/385854396.db2.gz WHJYYOKCSSSJOM-FNSAGKMKSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@H](C[N@H+](C)Cc1csnn1)c1ccccc1 ZINC000271154176 385795010 /nfs/dbraw/zinc/79/50/10/385795010.db2.gz MFOZOXQGPOHLGS-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO C[C@H](C[N@@H+](C)Cc1csnn1)c1ccccc1 ZINC000271154176 385795016 /nfs/dbraw/zinc/79/50/16/385795016.db2.gz MFOZOXQGPOHLGS-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO c1nc(C[NH2+][C@H]2CSc3ccccc32)co1 ZINC000309692097 385795592 /nfs/dbraw/zinc/79/55/92/385795592.db2.gz QCSFQCOGVXNJCJ-NSHDSACASA-N 1 2 232.308 2.611 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1(C)CCCCC1 ZINC000338060805 385884640 /nfs/dbraw/zinc/88/46/40/385884640.db2.gz MYRXJVAFIQSDCO-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CCC1(C(=O)Nc2cc[nH+]cc2C)CCOCC1 ZINC000272410757 385900411 /nfs/dbraw/zinc/90/04/11/385900411.db2.gz ZFXFVMIWLOUOFL-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000272423738 385901964 /nfs/dbraw/zinc/90/19/64/385901964.db2.gz NVTPYPGWTKPAQW-MNOVXSKESA-N 1 2 245.326 2.955 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)CCO)cc1)C1CCC1 ZINC000272501509 385909103 /nfs/dbraw/zinc/90/91/03/385909103.db2.gz UACURGHYDJHKON-LBPRGKRZSA-N 1 2 248.370 2.716 20 0 BFADLO C[C@]1(F)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000294916998 385916372 /nfs/dbraw/zinc/91/63/72/385916372.db2.gz JPCYPUYKFOSWOQ-ZDUSSCGKSA-N 1 2 233.290 2.891 20 0 BFADLO CSc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)[nH+]c1 ZINC000294918397 385917054 /nfs/dbraw/zinc/91/70/54/385917054.db2.gz AOSJQHHZQVZAEM-WCABBAIRSA-N 1 2 238.356 2.781 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CSC[C@@H]2C)c1 ZINC000294915701 385917509 /nfs/dbraw/zinc/91/75/09/385917509.db2.gz ALFFEDNKMAQZGG-GXSJLCMTSA-N 1 2 208.330 2.553 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCCO1 ZINC000271913747 385860654 /nfs/dbraw/zinc/86/06/54/385860654.db2.gz BGGAMLURPXOTJK-JQWIXIFHSA-N 1 2 247.342 2.724 20 0 BFADLO CSC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000123146382 385860839 /nfs/dbraw/zinc/86/08/39/385860839.db2.gz HTYLRCXQIYKJPS-MRVPVSSYSA-N 1 2 223.345 2.517 20 0 BFADLO Cc1sccc1CNc1ccc(CO)c[nH+]1 ZINC000294555513 385866711 /nfs/dbraw/zinc/86/67/11/385866711.db2.gz FMTWBETZWXXGID-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO CCCc1cc(C(=O)Nc2cc[nH+]cc2C)no1 ZINC000294621467 385876031 /nfs/dbraw/zinc/87/60/31/385876031.db2.gz NPITWVCHLAXDJU-UHFFFAOYSA-N 1 2 245.282 2.583 20 0 BFADLO CCCC[C@@H](CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735927 385878756 /nfs/dbraw/zinc/87/87/56/385878756.db2.gz SETFJNAGHQOXHX-LLVKDONJSA-N 1 2 249.358 2.511 20 0 BFADLO CCCC[C@@H](CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735927 385878762 /nfs/dbraw/zinc/87/87/62/385878762.db2.gz SETFJNAGHQOXHX-LLVKDONJSA-N 1 2 249.358 2.511 20 0 BFADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1cocn1 ZINC000295177845 385984831 /nfs/dbraw/zinc/98/48/31/385984831.db2.gz VGAZRHFQGHWKAU-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@@H](C)OC)cs1 ZINC000285473496 385932061 /nfs/dbraw/zinc/93/20/61/385932061.db2.gz BIIWZCDYTYTQLS-SNVBAGLBSA-N 1 2 242.388 2.562 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@@H](C)OC)cs1 ZINC000285473496 385932063 /nfs/dbraw/zinc/93/20/63/385932063.db2.gz BIIWZCDYTYTQLS-SNVBAGLBSA-N 1 2 242.388 2.562 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1nccn1C ZINC000335051605 385948102 /nfs/dbraw/zinc/94/81/02/385948102.db2.gz BYUVMNXTFSPGCZ-JTQLQIEISA-N 1 2 242.326 2.561 20 0 BFADLO c1cc([NH2+]C2CCSCC2)cc2c1NCC2 ZINC000335054127 385953273 /nfs/dbraw/zinc/95/32/73/385953273.db2.gz LVTYVXMXMIYYNM-UHFFFAOYSA-N 1 2 234.368 2.962 20 0 BFADLO c1cc(NC2CCSCC2)cc2c1[NH2+]CC2 ZINC000335054127 385953280 /nfs/dbraw/zinc/95/32/80/385953280.db2.gz LVTYVXMXMIYYNM-UHFFFAOYSA-N 1 2 234.368 2.962 20 0 BFADLO Cc1cc(N[C@H]2C=CCCC2)nc(C2CC2)[nH+]1 ZINC000342205158 385955865 /nfs/dbraw/zinc/95/58/65/385955865.db2.gz FQLWXTZFPSRNJX-LBPRGKRZSA-N 1 2 229.327 2.605 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCN3)CCO1 ZINC000335055900 385956264 /nfs/dbraw/zinc/95/62/64/385956264.db2.gz RTKCGSPECIIMPS-ZWNOBZJWSA-N 1 2 232.327 2.634 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CCO1 ZINC000335055900 385956267 /nfs/dbraw/zinc/95/62/67/385956267.db2.gz RTKCGSPECIIMPS-ZWNOBZJWSA-N 1 2 232.327 2.634 20 0 BFADLO F[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335016462 385973798 /nfs/dbraw/zinc/97/37/98/385973798.db2.gz XZOLXBSCTDVWCP-VIFPVBQESA-N 1 2 219.263 2.501 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1cncs1)c1ccon1 ZINC000336752006 386013538 /nfs/dbraw/zinc/01/35/38/386013538.db2.gz GUEDWMWVHXSZBM-YUMQZZPRSA-N 1 2 223.301 2.543 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000334431912 386033381 /nfs/dbraw/zinc/03/33/81/386033381.db2.gz WLYFBEJGXFZVEG-VHSXEESVSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000334431912 386033387 /nfs/dbraw/zinc/03/33/87/386033387.db2.gz WLYFBEJGXFZVEG-VHSXEESVSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccn2C)cc1C ZINC000273811644 386039702 /nfs/dbraw/zinc/03/97/02/386039702.db2.gz YZIBPGSMHKTJKA-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccn2C)cc1C ZINC000273811644 386039709 /nfs/dbraw/zinc/03/97/09/386039709.db2.gz YZIBPGSMHKTJKA-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000295546665 386049154 /nfs/dbraw/zinc/04/91/54/386049154.db2.gz WQMJJBIYDMULIK-QWRGUYRKSA-N 1 2 247.338 2.776 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(C(C)=O)cc2)CCO1 ZINC000295568522 386053125 /nfs/dbraw/zinc/05/31/25/386053125.db2.gz QZUNWBKDJPHMPR-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(C(C)=O)cc2)CCO1 ZINC000295568522 386053132 /nfs/dbraw/zinc/05/31/32/386053132.db2.gz QZUNWBKDJPHMPR-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cn[nH]c1 ZINC000273940026 386054170 /nfs/dbraw/zinc/05/41/70/386054170.db2.gz DBWREJNKIBXWQQ-VIFPVBQESA-N 1 2 248.330 2.546 20 0 BFADLO CC(=O)Nc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000274496072 386110577 /nfs/dbraw/zinc/11/05/77/386110577.db2.gz QGLARRBQUWWVFE-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO CC(=O)Nc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000274496072 386110583 /nfs/dbraw/zinc/11/05/83/386110583.db2.gz QGLARRBQUWWVFE-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000274511058 386113797 /nfs/dbraw/zinc/11/37/97/386113797.db2.gz VBYXLDHUOISISN-UHFFFAOYSA-N 1 2 233.286 2.681 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000274511058 386113801 /nfs/dbraw/zinc/11/38/01/386113801.db2.gz VBYXLDHUOISISN-UHFFFAOYSA-N 1 2 233.286 2.681 20 0 BFADLO CCCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295972435 386116752 /nfs/dbraw/zinc/11/67/52/386116752.db2.gz CKMAUQNTYKIVLM-UHFFFAOYSA-N 1 2 232.283 2.587 20 0 BFADLO Cc1ccc(Cc2noc(C(C)(C)C)n2)c[nH+]1 ZINC000274018357 386061957 /nfs/dbraw/zinc/06/19/57/386061957.db2.gz XAZJQIDVRFHRNT-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CCCCC[N@@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000414212802 386067961 /nfs/dbraw/zinc/06/79/61/386067961.db2.gz QFNRLWGXEIOOJP-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCC[N@H+]1CC(=O)N[C@@]12CCC(C)(C)C2 ZINC000414212802 386067965 /nfs/dbraw/zinc/06/79/65/386067965.db2.gz QFNRLWGXEIOOJP-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO C[NH2+]Cc1noc(/C(F)=C/C2CCCCC2)n1 ZINC000414651536 386070728 /nfs/dbraw/zinc/07/07/28/386070728.db2.gz ZKNMEPSYMTTWHI-YFHOEESVSA-N 1 2 239.294 2.680 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000334447056 386077083 /nfs/dbraw/zinc/07/70/83/386077083.db2.gz HPGMDFLXKKMHPX-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]([NH2+]Cc1ccno1)c1c(F)cccc1F ZINC000223634273 386091129 /nfs/dbraw/zinc/09/11/29/386091129.db2.gz VSFMTRRUGDLTKY-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1occc1C[NH2+]Cc1nccn1CC(C)C ZINC000414358094 386145162 /nfs/dbraw/zinc/14/51/62/386145162.db2.gz LAJJNKLCTXRQGR-UHFFFAOYSA-N 1 2 247.342 2.730 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)C2(C)CCCC2)c2[nH+]ccn21 ZINC000335152590 386145346 /nfs/dbraw/zinc/14/53/46/386145346.db2.gz AMPUTDQOOMWPOE-MNOVXSKESA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@](C)(F)C2)s1 ZINC000296204873 386148769 /nfs/dbraw/zinc/14/87/69/386148769.db2.gz ZJJLVXFMWFTALE-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@](C)(F)C2)s1 ZINC000296204873 386148775 /nfs/dbraw/zinc/14/87/75/386148775.db2.gz ZJJLVXFMWFTALE-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccco1 ZINC000353881037 386154850 /nfs/dbraw/zinc/15/48/50/386154850.db2.gz PJNHYHGFVHYUAX-GXFFZTMASA-N 1 2 245.326 2.815 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@H]2F)nc(C(C)C)[nH+]1 ZINC000338836549 386155350 /nfs/dbraw/zinc/15/53/50/386155350.db2.gz SBYSZWFWXHZZKN-GHMZBOCLSA-N 1 2 237.322 2.633 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2nccn2CC)o1 ZINC000296642478 386190126 /nfs/dbraw/zinc/19/01/26/386190126.db2.gz YEVAJOHVNVSUPJ-NSHDSACASA-N 1 2 247.342 2.909 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000338881842 386166604 /nfs/dbraw/zinc/16/66/04/386166604.db2.gz UWINCKOVWZFBJS-JTNHKYCSSA-N 1 2 249.358 2.659 20 0 BFADLO CCC=CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000296597977 386187461 /nfs/dbraw/zinc/18/74/61/386187461.db2.gz VJVGPKJRTZGROV-PGLGOXFNSA-N 1 2 248.355 2.511 20 0 BFADLO Clc1cccc2c1CN(CCn1cc[nH+]c1)C2 ZINC000287536640 386131642 /nfs/dbraw/zinc/13/16/42/386131642.db2.gz VSVVWACIZATKOC-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1cccc2c1C[N@H+](CCn1ccnc1)C2 ZINC000287536640 386131645 /nfs/dbraw/zinc/13/16/45/386131645.db2.gz VSVVWACIZATKOC-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1cccc2c1C[N@@H+](CCn1ccnc1)C2 ZINC000287536640 386131647 /nfs/dbraw/zinc/13/16/47/386131647.db2.gz VSVVWACIZATKOC-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287612624 386137435 /nfs/dbraw/zinc/13/74/35/386137435.db2.gz SVWULGUTWHBOSG-SECBINFHSA-N 1 2 221.304 2.618 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000296157017 386143259 /nfs/dbraw/zinc/14/32/59/386143259.db2.gz WHNVFDAKKZFGPJ-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000296157017 386143265 /nfs/dbraw/zinc/14/32/65/386143265.db2.gz WHNVFDAKKZFGPJ-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccncc2)co1 ZINC000647969594 386202717 /nfs/dbraw/zinc/20/27/17/386202717.db2.gz FXJRJURLJDNBIF-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccncc2)co1 ZINC000647969594 386202721 /nfs/dbraw/zinc/20/27/21/386202721.db2.gz FXJRJURLJDNBIF-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(NC2CC(F)(F)C2)nc(C(C)C)[nH+]1 ZINC000336118684 386221942 /nfs/dbraw/zinc/22/19/42/386221942.db2.gz HDTJGVZCWQFIPE-UHFFFAOYSA-N 1 2 241.285 2.540 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ccco2)s1 ZINC000125180331 386225097 /nfs/dbraw/zinc/22/50/97/386225097.db2.gz NAQAUEATYAAQJZ-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCCCc1noc(C[N@H+]2CC(C)=C[C@@H](C)C2)n1 ZINC000430287863 386227796 /nfs/dbraw/zinc/22/77/96/386227796.db2.gz YXWFWHAVTIYGKT-LLVKDONJSA-N 1 2 249.358 2.810 20 0 BFADLO CCCCc1noc(C[N@@H+]2CC(C)=C[C@@H](C)C2)n1 ZINC000430287863 386227799 /nfs/dbraw/zinc/22/77/99/386227799.db2.gz YXWFWHAVTIYGKT-LLVKDONJSA-N 1 2 249.358 2.810 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccoc2C)cn1 ZINC000414383991 386235067 /nfs/dbraw/zinc/23/50/67/386235067.db2.gz SQEKHFPXRIUYNZ-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccoc2C)cn1 ZINC000414383991 386235073 /nfs/dbraw/zinc/23/50/73/386235073.db2.gz SQEKHFPXRIUYNZ-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnns1 ZINC000297421270 386254648 /nfs/dbraw/zinc/25/46/48/386254648.db2.gz HEPMRSTZEBNMKC-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnns1 ZINC000297421270 386254650 /nfs/dbraw/zinc/25/46/50/386254650.db2.gz HEPMRSTZEBNMKC-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1[nH]c(C(=O)NC2CCCCCCC2)c[nH+]1 ZINC000264637908 386256477 /nfs/dbraw/zinc/25/64/77/386256477.db2.gz DSKWYIGVJLGIJJ-UHFFFAOYSA-N 1 2 235.331 2.561 20 0 BFADLO CC[C@@H]([NH2+]C1CCSCC1)C(F)(F)F ZINC000336648121 386257133 /nfs/dbraw/zinc/25/71/33/386257133.db2.gz GHKAAOUKWWJBON-MRVPVSSYSA-N 1 2 227.295 2.813 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCOC1CCC1 ZINC000347193614 386257394 /nfs/dbraw/zinc/25/73/94/386257394.db2.gz XCJVDFARMFYYQC-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCOC1CCC1 ZINC000347193614 386257400 /nfs/dbraw/zinc/25/74/00/386257400.db2.gz XCJVDFARMFYYQC-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO C[C@H]1CC[N@H+](CCOC2CCC2)CC1(F)F ZINC000347139476 386257539 /nfs/dbraw/zinc/25/75/39/386257539.db2.gz YSPIUHVIZDLXMY-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CC[N@@H+](CCOC2CCC2)CC1(F)F ZINC000347139476 386257546 /nfs/dbraw/zinc/25/75/46/386257546.db2.gz YSPIUHVIZDLXMY-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1cn[nH]c1 ZINC000275198406 386191961 /nfs/dbraw/zinc/19/19/61/386191961.db2.gz QCDNKTGKLCRFRE-QMMMGPOBSA-N 1 2 248.355 2.594 20 0 BFADLO Cc1csc(C2([NH2+]Cc3ccno3)CCC2)n1 ZINC000275253821 386196686 /nfs/dbraw/zinc/19/66/86/386196686.db2.gz YVUIERHNGZKGCY-UHFFFAOYSA-N 1 2 249.339 2.609 20 0 BFADLO Fc1ccc(/C=C\C[NH2+]CC(F)F)cc1 ZINC000336663301 386284939 /nfs/dbraw/zinc/28/49/39/386284939.db2.gz COEJTUNXZUCGNX-UPHRSURJSA-N 1 2 215.218 2.694 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2nccn2C)c1 ZINC000276261469 386291916 /nfs/dbraw/zinc/29/19/16/386291916.db2.gz RCTJORQOXGQBKP-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2nccn2C)c1 ZINC000276261469 386291921 /nfs/dbraw/zinc/29/19/21/386291921.db2.gz RCTJORQOXGQBKP-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CC(C)c1nc(C[N@H+](C)CC(C)(C)C)no1 ZINC000336667465 386295533 /nfs/dbraw/zinc/29/55/33/386295533.db2.gz GNGYMMMOPMMDSO-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)CC(C)(C)C)no1 ZINC000336667465 386295539 /nfs/dbraw/zinc/29/55/39/386295539.db2.gz GNGYMMMOPMMDSO-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO Fc1ccc(/C=C/C[NH2+]CC(F)F)cc1F ZINC000298190115 386306109 /nfs/dbraw/zinc/30/61/09/386306109.db2.gz WUMAHQXKIGSBJY-OWOJBTEDSA-N 1 2 233.208 2.833 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000265114066 386306375 /nfs/dbraw/zinc/30/63/75/386306375.db2.gz ICKPRXYAGOVEOO-VIFPVBQESA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000265114066 386306379 /nfs/dbraw/zinc/30/63/79/386306379.db2.gz ICKPRXYAGOVEOO-VIFPVBQESA-N 1 2 237.328 2.633 20 0 BFADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)c1cccs1 ZINC000339231394 386309771 /nfs/dbraw/zinc/30/97/71/386309771.db2.gz VJTWGZZCAAFCBR-SECBINFHSA-N 1 2 249.339 2.661 20 0 BFADLO CSc1ccc(N[C@@H](C)c2[nH+]ccn2C)nc1 ZINC000347264731 386310921 /nfs/dbraw/zinc/31/09/21/386310921.db2.gz WFFXOOOWVAJVII-VIFPVBQESA-N 1 2 248.355 2.710 20 0 BFADLO CC(=O)c1cccc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000336195116 386311548 /nfs/dbraw/zinc/31/15/48/386311548.db2.gz KRALRWJPGNSCCT-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CC(=O)c1cccc(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000336195116 386311554 /nfs/dbraw/zinc/31/15/54/386311554.db2.gz KRALRWJPGNSCCT-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000425519845 386322059 /nfs/dbraw/zinc/32/20/59/386322059.db2.gz GYNHTLMFRSWPPB-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000425519845 386322064 /nfs/dbraw/zinc/32/20/64/386322064.db2.gz GYNHTLMFRSWPPB-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO Nc1[nH+]cnc(NCCC2=CCCC2)c1Cl ZINC000236390833 386261749 /nfs/dbraw/zinc/26/17/49/386261749.db2.gz VJZWEFPNXJHPBB-UHFFFAOYSA-N 1 2 238.722 2.625 20 0 BFADLO Nc1nc[nH+]c(NCCC2=CCCC2)c1Cl ZINC000236390833 386261752 /nfs/dbraw/zinc/26/17/52/386261752.db2.gz VJZWEFPNXJHPBB-UHFFFAOYSA-N 1 2 238.722 2.625 20 0 BFADLO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297739799 386276232 /nfs/dbraw/zinc/27/62/32/386276232.db2.gz KXNDUNIGVLAMKW-NEPJUHHUSA-N 1 2 243.310 2.565 20 0 BFADLO CS[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000340580947 386279391 /nfs/dbraw/zinc/27/93/91/386279391.db2.gz OBENRFXUAGSSFW-ZETCQYMHSA-N 1 2 249.339 2.561 20 0 BFADLO CC(C)[C@@H](NC(=O)C[C@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000276556554 386343883 /nfs/dbraw/zinc/34/38/83/386343883.db2.gz GXZFFCJJBYQMTE-WCQYABFASA-N 1 2 247.342 2.579 20 0 BFADLO Cc1noc(C)c1C[C@H](C)Nc1cccc[nH+]1 ZINC000265530760 386346182 /nfs/dbraw/zinc/34/61/82/386346182.db2.gz BECZLHYJYSMDQM-VIFPVBQESA-N 1 2 231.299 2.730 20 0 BFADLO CCCCCN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000276598566 386351315 /nfs/dbraw/zinc/35/13/15/386351315.db2.gz NXEWJUIABKYVRY-BQYQJAHWSA-N 1 2 249.358 2.850 20 0 BFADLO Cl/C=C/C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298508982 386356041 /nfs/dbraw/zinc/35/60/41/386356041.db2.gz VEMRPAMXXBOZNV-WXJAXGNASA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C/C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000298508982 386356044 /nfs/dbraw/zinc/35/60/44/386356044.db2.gz VEMRPAMXXBOZNV-WXJAXGNASA-N 1 2 237.730 2.812 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)o1 ZINC000289830757 386360854 /nfs/dbraw/zinc/36/08/54/386360854.db2.gz OQZNSMPMXNQQKN-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)o1 ZINC000289830757 386360859 /nfs/dbraw/zinc/36/08/59/386360859.db2.gz OQZNSMPMXNQQKN-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccco1 ZINC000289829911 386362583 /nfs/dbraw/zinc/36/25/83/386362583.db2.gz PIHPNKRRMWKXLN-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)c(C)s1 ZINC000265766059 386367593 /nfs/dbraw/zinc/36/75/93/386367593.db2.gz HXVIIOBOYHFRQZ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)c(C)s1 ZINC000265766059 386367599 /nfs/dbraw/zinc/36/75/99/386367599.db2.gz HXVIIOBOYHFRQZ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C(C)C)C2)no1 ZINC000336694287 386367991 /nfs/dbraw/zinc/36/79/91/386367991.db2.gz IYFAEJPAHCPAGK-LLVKDONJSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C(C)C)C2)no1 ZINC000336694287 386367996 /nfs/dbraw/zinc/36/79/96/386367996.db2.gz IYFAEJPAHCPAGK-LLVKDONJSA-N 1 2 237.347 2.671 20 0 BFADLO Clc1ccc(CN2CCc3[nH+]c[nH]c3C2)cc1 ZINC000647933566 386368579 /nfs/dbraw/zinc/36/85/79/386368579.db2.gz SYUSGKUFMYCKIP-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccco2)n1 ZINC000289940892 386373344 /nfs/dbraw/zinc/37/33/44/386373344.db2.gz XFALLYHYGMRLMO-LBPRGKRZSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccco2)n1 ZINC000289940892 386373349 /nfs/dbraw/zinc/37/33/49/386373349.db2.gz XFALLYHYGMRLMO-LBPRGKRZSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cccs2)no1 ZINC000298736193 386379608 /nfs/dbraw/zinc/37/96/08/386379608.db2.gz QDNYQTGYEPGIDB-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2cccs2)no1 ZINC000298736193 386379615 /nfs/dbraw/zinc/37/96/15/386379615.db2.gz QDNYQTGYEPGIDB-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO CC(C)c1nc(N2CCCC[C@H]2C)cc[nH+]1 ZINC000112963532 386381851 /nfs/dbraw/zinc/38/18/51/386381851.db2.gz MEKKMSRWHWUTPA-LLVKDONJSA-N 1 2 219.332 2.979 20 0 BFADLO CCC[N@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000347395166 386383209 /nfs/dbraw/zinc/38/32/09/386383209.db2.gz CPECWOGJKYYYHU-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CCC[N@@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000347395166 386383212 /nfs/dbraw/zinc/38/32/12/386383212.db2.gz CPECWOGJKYYYHU-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO c1coc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289575658 386330405 /nfs/dbraw/zinc/33/04/05/386330405.db2.gz SUVWCBCJEFGIGY-ZDUSSCGKSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000289575658 386330409 /nfs/dbraw/zinc/33/04/09/386330409.db2.gz SUVWCBCJEFGIGY-ZDUSSCGKSA-N 1 2 231.299 2.730 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000347337489 386332959 /nfs/dbraw/zinc/33/29/59/386332959.db2.gz CROWYXTYRKFOOQ-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000347337489 386332968 /nfs/dbraw/zinc/33/29/68/386332968.db2.gz CROWYXTYRKFOOQ-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1Cl ZINC000339287475 386338202 /nfs/dbraw/zinc/33/82/02/386338202.db2.gz OZLRVQBFNJZUHH-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cccc(F)c1Cl ZINC000339287475 386338204 /nfs/dbraw/zinc/33/82/04/386338204.db2.gz OZLRVQBFNJZUHH-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO C[C@H]1CN(c2cccc[nH+]2)CC2(CCCC2)O1 ZINC000645403525 386443130 /nfs/dbraw/zinc/44/31/30/386443130.db2.gz ZCRFSTDAHMMWFH-LBPRGKRZSA-N 1 2 232.327 2.620 20 0 BFADLO FC(F)C[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000347439475 386403234 /nfs/dbraw/zinc/40/32/34/386403234.db2.gz NFVQIBNPOMUDOL-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000347439475 386403238 /nfs/dbraw/zinc/40/32/38/386403238.db2.gz NFVQIBNPOMUDOL-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO CSC1(C[NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000290295674 386414937 /nfs/dbraw/zinc/41/49/37/386414937.db2.gz HKFQKOJYSYVBSJ-UHFFFAOYSA-N 1 2 235.352 2.929 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnc([C@H](C)O)s1 ZINC000290413571 386433841 /nfs/dbraw/zinc/43/38/41/386433841.db2.gz QHAYAJODZMNXRL-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO COC1CC(Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000347478009 386435774 /nfs/dbraw/zinc/43/57/74/386435774.db2.gz DMEWORLSVKLIPC-UHFFFAOYSA-N 1 2 232.327 2.550 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccon1 ZINC000340354217 386468617 /nfs/dbraw/zinc/46/86/17/386468617.db2.gz KICXCNYGFVEUIL-RKDXNWHRSA-N 1 2 235.262 2.621 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339574834 386472141 /nfs/dbraw/zinc/47/21/41/386472141.db2.gz KQDOAYDISLKICU-UTLUCORTSA-N 1 2 223.320 2.594 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339574834 386472147 /nfs/dbraw/zinc/47/21/47/386472147.db2.gz KQDOAYDISLKICU-UTLUCORTSA-N 1 2 223.320 2.594 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC2(CC2)C1 ZINC000644864920 386474420 /nfs/dbraw/zinc/47/44/20/386474420.db2.gz HTGJVKZJYKFPGY-UHFFFAOYSA-N 1 2 245.301 2.703 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339565096 386477404 /nfs/dbraw/zinc/47/74/04/386477404.db2.gz LFMOGJYCBQFZDX-KXUCPTDWSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339565096 386477407 /nfs/dbraw/zinc/47/74/07/386477407.db2.gz LFMOGJYCBQFZDX-KXUCPTDWSA-N 1 2 237.347 2.768 20 0 BFADLO CCc1c(C(=O)Nc2cc[nH+]cc2C)ccn1C ZINC000290907196 386486327 /nfs/dbraw/zinc/48/63/27/386486327.db2.gz WHCCGTOEKIDYLY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CO1 ZINC000335430060 386486642 /nfs/dbraw/zinc/48/66/42/386486642.db2.gz SGIGNKWLQROALP-CABZTGNLSA-N 1 2 246.285 2.963 20 0 BFADLO C[C@H]1C[C@H](c2noc(C[NH+](C)C)n2)C[C@@H](C)C1 ZINC000335431714 386487867 /nfs/dbraw/zinc/48/78/67/386487867.db2.gz RZHTXOHATOCNAV-URLYPYJESA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(F)(F)F ZINC000336756554 386491974 /nfs/dbraw/zinc/49/19/74/386491974.db2.gz YOUAFDOTLDMLRU-OPRDCNLKSA-N 1 2 239.281 2.730 20 0 BFADLO CC(C)[C@@H]([NH2+]C[C@H]1CCSC1)C(F)(F)F ZINC000336758447 386496164 /nfs/dbraw/zinc/49/61/64/386496164.db2.gz KNVDMBHDNPERQU-RKDXNWHRSA-N 1 2 241.322 2.916 20 0 BFADLO CC(C)c1nc(N(C)C2CCC2)cc[nH+]1 ZINC000335439179 386497078 /nfs/dbraw/zinc/49/70/78/386497078.db2.gz KZDNHFYWRLSKDW-UHFFFAOYSA-N 1 2 205.305 2.589 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CCCC(C)(C)C ZINC000267164199 386504676 /nfs/dbraw/zinc/50/46/76/386504676.db2.gz GWDPFGOOUOTATH-UHFFFAOYSA-N 1 2 237.347 2.551 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000339668351 386511278 /nfs/dbraw/zinc/51/12/78/386511278.db2.gz OWEJJPLRVVYUPG-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC000339668351 386511283 /nfs/dbraw/zinc/51/12/83/386511283.db2.gz OWEJJPLRVVYUPG-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)C1CCC1 ZINC000457860209 386464650 /nfs/dbraw/zinc/46/46/50/386464650.db2.gz BLIJAFCCUPTWTE-GHMZBOCLSA-N 1 2 249.358 2.516 20 0 BFADLO CO[C@@H](CNc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000266753380 386464714 /nfs/dbraw/zinc/46/47/14/386464714.db2.gz TVMAJUYBXRMPSU-NSHDSACASA-N 1 2 249.358 2.827 20 0 BFADLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000299553520 386465445 /nfs/dbraw/zinc/46/54/45/386465445.db2.gz RCALJYABIGQOIW-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000299553520 386465451 /nfs/dbraw/zinc/46/54/51/386465451.db2.gz RCALJYABIGQOIW-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@@H](CC)C(=O)OC)cc1 ZINC000097992693 386575038 /nfs/dbraw/zinc/57/50/38/386575038.db2.gz YKSZDCQUFCUYBT-RISCZKNCSA-N 1 2 249.354 2.851 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@H](CC)C(=O)OC)cc1 ZINC000097992696 386575274 /nfs/dbraw/zinc/57/52/74/386575274.db2.gz YKSZDCQUFCUYBT-SMDDNHRTSA-N 1 2 249.354 2.851 20 0 BFADLO Cc1ccc(OCc2c[nH+]cn2C)c(Cl)c1 ZINC000267744174 386578673 /nfs/dbraw/zinc/57/86/73/386578673.db2.gz GJKMQGMSUIQRSP-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO Fc1ccc2cc[nH+]c(NC3CCOCC3)c2c1 ZINC000335413774 386580402 /nfs/dbraw/zinc/58/04/02/386580402.db2.gz CEZJITAJVKPWHJ-UHFFFAOYSA-N 1 2 246.285 2.965 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccoc1C)C(F)F ZINC000414460531 386595775 /nfs/dbraw/zinc/59/57/75/386595775.db2.gz QVRTZLRTBBUIBD-SECBINFHSA-N 1 2 203.232 2.721 20 0 BFADLO COC[C@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267425161 386540309 /nfs/dbraw/zinc/54/03/09/386540309.db2.gz VLNMUBUEZGEGOV-QMMMGPOBSA-N 1 2 248.248 2.572 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc(C)cn2)cc1 ZINC000340663602 386540893 /nfs/dbraw/zinc/54/08/93/386540893.db2.gz XKUAETQWUQTMOI-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc(C)cn2)cc1 ZINC000340663602 386540897 /nfs/dbraw/zinc/54/08/97/386540897.db2.gz XKUAETQWUQTMOI-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000335406791 386566484 /nfs/dbraw/zinc/56/64/84/386566484.db2.gz CLVMYAZVRPWFJL-GFCCVEGCSA-N 1 2 245.301 2.621 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000335406791 386566489 /nfs/dbraw/zinc/56/64/89/386566489.db2.gz CLVMYAZVRPWFJL-GFCCVEGCSA-N 1 2 245.301 2.621 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+]1Cc2cccnc2C1 ZINC000644933724 386620928 /nfs/dbraw/zinc/62/09/28/386620928.db2.gz SERRBVJEHOTYEP-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1ccncc1)[N@H+]1Cc2cccnc2C1 ZINC000644933724 386620932 /nfs/dbraw/zinc/62/09/32/386620932.db2.gz SERRBVJEHOTYEP-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO CO[C@](C)(CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000292304017 386646949 /nfs/dbraw/zinc/64/69/49/386646949.db2.gz LHZNMVRTJHVGHO-CQSZACIVSA-N 1 2 247.342 2.581 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCC(F)F ZINC000644972088 386647732 /nfs/dbraw/zinc/64/77/32/386647732.db2.gz YRUOAFVMOHMHTM-UHFFFAOYSA-N 1 2 228.242 2.682 20 0 BFADLO Cc1ccc(N[C@H](C)COC(C)C)c[nH+]1 ZINC000336757597 386606521 /nfs/dbraw/zinc/60/65/21/386606521.db2.gz KBEWXOGUJKNPQS-LLVKDONJSA-N 1 2 208.305 2.615 20 0 BFADLO CCC(O)(CC)CNc1cc[nH+]c2ccncc12 ZINC000268017466 386609837 /nfs/dbraw/zinc/60/98/37/386609837.db2.gz XUKHKVBAUDINFA-UHFFFAOYSA-N 1 2 245.326 2.593 20 0 BFADLO CC[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000268063980 386616684 /nfs/dbraw/zinc/61/66/84/386616684.db2.gz ZWEZAQRHEIBMCB-NSHDSACASA-N 1 2 227.311 2.866 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)c(C)[nH+]1 ZINC000279012923 386618441 /nfs/dbraw/zinc/61/84/41/386618441.db2.gz NTBWISZRCIUPFM-LBPRGKRZSA-N 1 2 248.326 2.595 20 0 BFADLO CCCN(Cc1c[nH+]cn1C(C)C)CC(F)F ZINC000425330514 386663158 /nfs/dbraw/zinc/66/31/58/386663158.db2.gz WBMXNQKSQBZPNG-UHFFFAOYSA-N 1 2 245.317 2.941 20 0 BFADLO CCn1ccc(C[NH2+]Cc2cccc(C)c2F)n1 ZINC000414478218 386669802 /nfs/dbraw/zinc/66/98/02/386669802.db2.gz FNVJKJCLEZRJQP-UHFFFAOYSA-N 1 2 247.317 2.640 20 0 BFADLO Cc1c[nH+]c(C)nc1NCc1ccc(F)c(C)c1 ZINC000520427906 386673093 /nfs/dbraw/zinc/67/30/93/386673093.db2.gz DZNLZIGTVZKFRB-UHFFFAOYSA-N 1 2 245.301 2.575 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1[C@H](C)C1(F)F ZINC000335527900 386673395 /nfs/dbraw/zinc/67/33/95/386673395.db2.gz LWDAUUISFVRCSI-IONNQARKSA-N 1 2 240.253 2.538 20 0 BFADLO CCc1nc(C(=O)Nc2c(C)cc[nH+]c2C)co1 ZINC000335528354 386674098 /nfs/dbraw/zinc/67/40/98/386674098.db2.gz MXTHUKQEKIDACZ-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC(C)(C)O1 ZINC000335529957 386676936 /nfs/dbraw/zinc/67/69/36/386676936.db2.gz VEQMZXMVIGSNGV-LLVKDONJSA-N 1 2 248.326 2.595 20 0 BFADLO C[C@H](C1CCC1)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000357030906 386695166 /nfs/dbraw/zinc/69/51/66/386695166.db2.gz YFSJRQRVFKFVMT-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H](C1CCC1)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000357030906 386695176 /nfs/dbraw/zinc/69/51/76/386695176.db2.gz YFSJRQRVFKFVMT-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(O)c2)cs1 ZINC000340694650 386717221 /nfs/dbraw/zinc/71/72/21/386717221.db2.gz VYLODMRZWXSMRW-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(O)c2)cs1 ZINC000340694650 386717230 /nfs/dbraw/zinc/71/72/30/386717230.db2.gz VYLODMRZWXSMRW-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO COC1(CCNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000292763647 386719201 /nfs/dbraw/zinc/71/92/01/386719201.db2.gz KLIBWOCODNFPLY-UHFFFAOYSA-N 1 2 247.342 2.725 20 0 BFADLO c1cc(CCNc2cccc[nH+]2)cs1 ZINC000044348592 386719467 /nfs/dbraw/zinc/71/94/67/386719467.db2.gz NXHLNWZPFGLVER-UHFFFAOYSA-N 1 2 204.298 2.798 20 0 BFADLO CCC1(CC)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000292786837 386723950 /nfs/dbraw/zinc/72/39/50/386723950.db2.gz MFRCCWCIOBYGEX-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO O[C@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128459 386740327 /nfs/dbraw/zinc/74/03/27/386740327.db2.gz WVPVTEIEPVGLIH-VXGBXAGGSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@H]1C[N@H+]([C@@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128459 386740337 /nfs/dbraw/zinc/74/03/37/386740337.db2.gz WVPVTEIEPVGLIH-VXGBXAGGSA-N 1 2 245.313 2.577 20 0 BFADLO CC(C)=CC[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000334150988 386749377 /nfs/dbraw/zinc/74/93/77/386749377.db2.gz JYTQTMBJVHPPLY-GFCCVEGCSA-N 1 2 234.347 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000334150988 386749383 /nfs/dbraw/zinc/74/93/83/386749383.db2.gz JYTQTMBJVHPPLY-GFCCVEGCSA-N 1 2 234.347 2.606 20 0 BFADLO Cc1nc(C[NH+]2CCC(C(F)(F)F)CC2)co1 ZINC000647965712 386751860 /nfs/dbraw/zinc/75/18/60/386751860.db2.gz IBFJGEDVBPJDLD-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO CCCC[N@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000280029071 386769638 /nfs/dbraw/zinc/76/96/38/386769638.db2.gz NCMGGGCDVDAOKI-LLVKDONJSA-N 1 2 241.356 2.694 20 0 BFADLO CCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccsc1 ZINC000280029071 386769644 /nfs/dbraw/zinc/76/96/44/386769644.db2.gz NCMGGGCDVDAOKI-LLVKDONJSA-N 1 2 241.356 2.694 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000292949748 386755513 /nfs/dbraw/zinc/75/55/13/386755513.db2.gz IOYQRQWWZAZZLY-KXUCPTDWSA-N 1 2 240.372 2.691 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000292949748 386755516 /nfs/dbraw/zinc/75/55/16/386755516.db2.gz IOYQRQWWZAZZLY-KXUCPTDWSA-N 1 2 240.372 2.691 20 0 BFADLO CC1(C)C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000417985616 386791868 /nfs/dbraw/zinc/79/18/68/386791868.db2.gz PTBQYQZVHSKWKK-ZDUSSCGKSA-N 1 2 246.354 2.940 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCF)o1 ZINC000269321180 386780364 /nfs/dbraw/zinc/78/03/64/386780364.db2.gz FDQPDJVNQCIEFF-KOLCDFICSA-N 1 2 211.280 2.804 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCF)o1 ZINC000269321180 386780371 /nfs/dbraw/zinc/78/03/71/386780371.db2.gz FDQPDJVNQCIEFF-KOLCDFICSA-N 1 2 211.280 2.804 20 0 BFADLO CN(Cc1cccc(F)c1)c1cccc[nH+]1 ZINC000301062144 386816262 /nfs/dbraw/zinc/81/62/62/386816262.db2.gz SUBVRAZAGZTALJ-UHFFFAOYSA-N 1 2 216.259 2.857 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334771176 386821196 /nfs/dbraw/zinc/82/11/96/386821196.db2.gz XLIGPPYNHCZFFW-LLVKDONJSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1ccoc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334771176 386821197 /nfs/dbraw/zinc/82/11/97/386821197.db2.gz XLIGPPYNHCZFFW-LLVKDONJSA-N 1 2 231.299 2.648 20 0 BFADLO CSc1ccccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000280552234 386822083 /nfs/dbraw/zinc/82/20/83/386822083.db2.gz UJPXFXFXEVZLCO-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C1CC1 ZINC000293273552 386797728 /nfs/dbraw/zinc/79/77/28/386797728.db2.gz CEBPTVLCUHZXPI-UHFFFAOYSA-N 1 2 233.311 2.967 20 0 BFADLO CC(C)c1cc(N[C@@H](C)CF)nc(C(C)C)[nH+]1 ZINC000340998374 386814294 /nfs/dbraw/zinc/81/42/94/386814294.db2.gz RZSKVBSTPIKOCI-JTQLQIEISA-N 1 2 239.338 2.915 20 0 BFADLO Cc1ccc(CCNc2cc(C)[nH+]cn2)cc1 ZINC000301260961 386829212 /nfs/dbraw/zinc/82/92/12/386829212.db2.gz BILMKZKEUVQNQP-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000293572716 386841038 /nfs/dbraw/zinc/84/10/38/386841038.db2.gz NBSUMDFOENYJEF-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1F ZINC000293572716 386841046 /nfs/dbraw/zinc/84/10/46/386841046.db2.gz NBSUMDFOENYJEF-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1ccncc1 ZINC000336674673 386846953 /nfs/dbraw/zinc/84/69/53/386846953.db2.gz AGESWWHJARNEAK-QMMMGPOBSA-N 1 2 212.243 2.530 20 0 BFADLO COc1ccc(OCc2c[nH+]ccc2OC)cc1 ZINC000341156420 386847010 /nfs/dbraw/zinc/84/70/10/386847010.db2.gz ASYNBFMULJJDMJ-UHFFFAOYSA-N 1 2 245.278 2.678 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCC23CCC3)s1 ZINC000334786033 386847017 /nfs/dbraw/zinc/84/70/17/386847017.db2.gz GCTUGLOYRFAUIZ-UHFFFAOYSA-N 1 2 237.372 2.790 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCC23CCC3)s1 ZINC000334786033 386847020 /nfs/dbraw/zinc/84/70/20/386847020.db2.gz GCTUGLOYRFAUIZ-UHFFFAOYSA-N 1 2 237.372 2.790 20 0 BFADLO Cc1nc(N2C[C@H]3CCC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000301680938 386867143 /nfs/dbraw/zinc/86/71/43/386867143.db2.gz SUYDUJLHBUFGFQ-CHWSQXEVSA-N 1 2 231.343 2.638 20 0 BFADLO Cc1nc(N2CCC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000301708537 386869902 /nfs/dbraw/zinc/86/99/02/386869902.db2.gz WOENYMVLXAINNA-UHFFFAOYSA-N 1 2 219.332 2.638 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000301699599 386871396 /nfs/dbraw/zinc/87/13/96/386871396.db2.gz FBWJGVLOCHKQEQ-NWDGAFQWSA-N 1 2 249.358 2.791 20 0 BFADLO COc1c(C)c[nH+]c(CN2CCC23CCC3)c1C ZINC000334833787 386872820 /nfs/dbraw/zinc/87/28/20/386872820.db2.gz WWBHLPNIOGUMCQ-UHFFFAOYSA-N 1 2 246.354 2.835 20 0 BFADLO Cc1c(F)c(F)ccc1NCc1c[nH+]cn1C ZINC000334836164 386877400 /nfs/dbraw/zinc/87/74/00/386877400.db2.gz XEZVVXNKJOSQKR-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO CCC1(CNc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301813080 386878993 /nfs/dbraw/zinc/87/89/93/386878993.db2.gz FOYTVENOGRYKRL-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO CCC1(CNc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301813080 386878999 /nfs/dbraw/zinc/87/89/99/386878999.db2.gz FOYTVENOGRYKRL-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO C[C@@](O)(CNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000301837188 386880894 /nfs/dbraw/zinc/88/08/94/386880894.db2.gz MLTNGJMRLPAXDZ-CQSZACIVSA-N 1 2 246.285 2.540 20 0 BFADLO Cc1ocnc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301858593 386887031 /nfs/dbraw/zinc/88/70/31/386887031.db2.gz JTSFHEKLXSWFPS-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CN(CC(C)(C)C)c1nc(N)c2ccccc2[nH+]1 ZINC000301899278 386889242 /nfs/dbraw/zinc/88/92/42/386889242.db2.gz XTFAUXVGCZJYKD-UHFFFAOYSA-N 1 2 244.342 2.694 20 0 BFADLO Cc1c[nH]c(-c2ccccc2NC(=O)C2CC2)[nH+]1 ZINC000335770903 386917780 /nfs/dbraw/zinc/91/77/80/386917780.db2.gz ZHEQXMJQOWYDRO-UHFFFAOYSA-N 1 2 241.294 2.734 20 0 BFADLO CCn1cc[nH+]c1CN1Cc2ccc(C)cc2C1 ZINC000335760983 386899480 /nfs/dbraw/zinc/89/94/80/386899480.db2.gz GWAFHDNJSNNSOC-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@@](C)(F)C2)cn1 ZINC000335765822 386908873 /nfs/dbraw/zinc/90/88/73/386908873.db2.gz ADQLWUJCPYGAIQ-CYBMUJFWSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CC[C@@](C)(F)C2)cn1 ZINC000335765822 386908877 /nfs/dbraw/zinc/90/88/77/386908877.db2.gz ADQLWUJCPYGAIQ-CYBMUJFWSA-N 1 2 239.338 2.572 20 0 BFADLO c1cc2c(cc1NCC1CC1)CCC[NH2+]2 ZINC000334866166 386924223 /nfs/dbraw/zinc/92/42/23/386924223.db2.gz XGXKWGMJDSXHCV-UHFFFAOYSA-N 1 2 202.301 2.867 20 0 BFADLO Cc1occc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334867267 386926333 /nfs/dbraw/zinc/92/63/33/386926333.db2.gz HAFLWTHGSLJXKI-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1occc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334867267 386926339 /nfs/dbraw/zinc/92/63/39/386926339.db2.gz HAFLWTHGSLJXKI-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)[C@H](O)c1ccc(F)cc1 ZINC000302675200 386929055 /nfs/dbraw/zinc/92/90/55/386929055.db2.gz PPKHYKKQGFULIJ-YGRLFVJLSA-N 1 2 246.285 2.755 20 0 BFADLO CC(C)=CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000302704758 386931335 /nfs/dbraw/zinc/93/13/35/386931335.db2.gz JBZRTVDELJOMDT-UHFFFAOYSA-N 1 2 232.331 2.677 20 0 BFADLO CC(C)=CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000302704758 386931341 /nfs/dbraw/zinc/93/13/41/386931341.db2.gz JBZRTVDELJOMDT-UHFFFAOYSA-N 1 2 232.331 2.677 20 0 BFADLO CCC(CC)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000341752818 386961456 /nfs/dbraw/zinc/96/14/56/386961456.db2.gz ZEEDWBAXVFIAJL-NSHDSACASA-N 1 2 234.343 2.823 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000334891886 386965702 /nfs/dbraw/zinc/96/57/02/386965702.db2.gz ZMQAUSNRVSEQBD-YPMHNXCESA-N 1 2 234.343 2.925 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)C(C)C)no1 ZINC000341823854 386969778 /nfs/dbraw/zinc/96/97/78/386969778.db2.gz CLIJKSMXEYVGMI-JTQLQIEISA-N 1 2 225.336 2.669 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)C(C)C)no1 ZINC000341823854 386969784 /nfs/dbraw/zinc/96/97/84/386969784.db2.gz CLIJKSMXEYVGMI-JTQLQIEISA-N 1 2 225.336 2.669 20 0 BFADLO c1coc([C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000368680504 387002660 /nfs/dbraw/zinc/00/26/60/387002660.db2.gz NDXALPDBIPWKPL-LLVKDONJSA-N 1 2 214.268 2.669 20 0 BFADLO CC[C@H](NC(=O)C[C@H]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000331290352 387006775 /nfs/dbraw/zinc/00/67/75/387006775.db2.gz WEARWHVPIQPECA-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO CCCn1cc(CNc2c[nH+]cc(C)c2)cn1 ZINC000227603709 387056369 /nfs/dbraw/zinc/05/63/69/387056369.db2.gz YAGHWCGVODMZPB-UHFFFAOYSA-N 1 2 230.315 2.609 20 0 BFADLO Fc1ccc(C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000336222835 387062073 /nfs/dbraw/zinc/06/20/73/387062073.db2.gz OTNLSYKGAOCSGZ-SNVBAGLBSA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000336222835 387062078 /nfs/dbraw/zinc/06/20/78/387062078.db2.gz OTNLSYKGAOCSGZ-SNVBAGLBSA-N 1 2 215.218 2.509 20 0 BFADLO c1c[nH+]c(COC[C@H]2C[C@H]2c2ccccc2)[nH]1 ZINC000359173990 387064964 /nfs/dbraw/zinc/06/49/64/387064964.db2.gz YZPLXJOQCAQZTL-OLZOCXBDSA-N 1 2 228.295 2.730 20 0 BFADLO CC(C)c1nc(NCCc2ccco2)cc[nH+]1 ZINC000106462680 387024759 /nfs/dbraw/zinc/02/47/59/387024759.db2.gz TUCZITACNADYRR-UHFFFAOYSA-N 1 2 231.299 2.848 20 0 BFADLO COC(=O)[C@@H](C1CC1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000359589846 387130474 /nfs/dbraw/zinc/13/04/74/387130474.db2.gz RSYMASZLEMZPNC-QMTHXVAHSA-N 1 2 245.322 2.515 20 0 BFADLO COC(=O)[C@@H](C1CC1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000359589846 387130480 /nfs/dbraw/zinc/13/04/80/387130480.db2.gz RSYMASZLEMZPNC-QMTHXVAHSA-N 1 2 245.322 2.515 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000336257066 387088204 /nfs/dbraw/zinc/08/82/04/387088204.db2.gz XOSKRORPABBCOW-PRHODGIISA-N 1 2 232.327 2.991 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1nccs1 ZINC000070734034 387089971 /nfs/dbraw/zinc/08/99/71/387089971.db2.gz NHMVSDYFQQZCRS-VIFPVBQESA-N 1 2 234.328 2.805 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000359357391 387090849 /nfs/dbraw/zinc/09/08/49/387090849.db2.gz GAJGLHBKDACQRX-LLVKDONJSA-N 1 2 232.327 2.577 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000336260000 387090959 /nfs/dbraw/zinc/09/09/59/387090959.db2.gz ZWVVOTKMLNIJGI-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000336260000 387090963 /nfs/dbraw/zinc/09/09/63/387090963.db2.gz ZWVVOTKMLNIJGI-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)o1 ZINC000228577350 387093871 /nfs/dbraw/zinc/09/38/71/387093871.db2.gz BBOIPWQSBCVOTR-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO Fc1cccc(CC[N@H+]2CC[C@H](F)C2)c1F ZINC000336262827 387097215 /nfs/dbraw/zinc/09/72/15/387097215.db2.gz DGCOVMVEZGGZBD-JTQLQIEISA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cccc(CC[N@@H+]2CC[C@H](F)C2)c1F ZINC000336262827 387097218 /nfs/dbraw/zinc/09/72/18/387097218.db2.gz DGCOVMVEZGGZBD-JTQLQIEISA-N 1 2 229.245 2.551 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336266961 387101883 /nfs/dbraw/zinc/10/18/83/387101883.db2.gz RIFNYGQUSGZURH-AAEUAGOBSA-N 1 2 237.322 2.670 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336266961 387101889 /nfs/dbraw/zinc/10/18/89/387101889.db2.gz RIFNYGQUSGZURH-AAEUAGOBSA-N 1 2 237.322 2.670 20 0 BFADLO CC[C@H](C)[C@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334019 387102578 /nfs/dbraw/zinc/10/25/78/387102578.db2.gz CGBGEWYITWQNHJ-IINYFYTJSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1occc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119211477 387110051 /nfs/dbraw/zinc/11/00/51/387110051.db2.gz YUAKYVSLZGAMDQ-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)no1 ZINC000069068692 387111970 /nfs/dbraw/zinc/11/19/70/387111970.db2.gz MDXKHCMFWYMVPV-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)no1 ZINC000069068692 387111974 /nfs/dbraw/zinc/11/19/74/387111974.db2.gz MDXKHCMFWYMVPV-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO C[C@H]([NH2+]Cc1ccccn1)c1c(F)cncc1F ZINC000353148510 387145859 /nfs/dbraw/zinc/14/58/59/387145859.db2.gz ZZVXPFGTEFINNI-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccsc2C)n1 ZINC000353163954 387147572 /nfs/dbraw/zinc/14/75/72/387147572.db2.gz DVEHHBDCTJZQLN-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO CC(C)CCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353174591 387150466 /nfs/dbraw/zinc/15/04/66/387150466.db2.gz XSDSTLBFROEEOD-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)CCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353174591 387150469 /nfs/dbraw/zinc/15/04/69/387150469.db2.gz XSDSTLBFROEEOD-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO FCCCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353186830 387152119 /nfs/dbraw/zinc/15/21/19/387152119.db2.gz DELFUKDQJLXWET-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO FCCCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353186830 387152122 /nfs/dbraw/zinc/15/21/22/387152122.db2.gz DELFUKDQJLXWET-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO CCN(CC1CC1)c1nc(C)[nH+]c2c1CCCC2 ZINC000359730743 387156924 /nfs/dbraw/zinc/15/69/24/387156924.db2.gz PJRAGJAGKDYPDC-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1cc(C)c(NC(=O)C2CC=CC2)c(C)[nH+]1 ZINC000119499706 387135340 /nfs/dbraw/zinc/13/53/40/387135340.db2.gz KFLFPENEGXNGJU-UHFFFAOYSA-N 1 2 230.311 2.912 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC000459626607 387138584 /nfs/dbraw/zinc/13/85/84/387138584.db2.gz VSVPDYDUMOQGMB-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353540777 387225452 /nfs/dbraw/zinc/22/54/52/387225452.db2.gz FVBINLQCMMIBQV-WDEREUQCSA-N 1 2 241.310 2.653 20 0 BFADLO CC[C@H](F)C[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353540777 387225456 /nfs/dbraw/zinc/22/54/56/387225456.db2.gz FVBINLQCMMIBQV-WDEREUQCSA-N 1 2 241.310 2.653 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353540774 387225789 /nfs/dbraw/zinc/22/57/89/387225789.db2.gz FVBINLQCMMIBQV-GHMZBOCLSA-N 1 2 241.310 2.653 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000353540774 387225794 /nfs/dbraw/zinc/22/57/94/387225794.db2.gz FVBINLQCMMIBQV-GHMZBOCLSA-N 1 2 241.310 2.653 20 0 BFADLO Cc1cnc([C@@H]([NH2+]Cc2ccno2)C2CC2)s1 ZINC000572046357 387228059 /nfs/dbraw/zinc/22/80/59/387228059.db2.gz HHGFVQODADSNNX-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO c1cn(CCSc2nc3ccccc3[nH]2)c[nH+]1 ZINC000096924277 387231717 /nfs/dbraw/zinc/23/17/17/387231717.db2.gz YNBAKXKCYCILLZ-UHFFFAOYSA-N 1 2 244.323 2.552 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccncc2F)nc1 ZINC000648552272 387234716 /nfs/dbraw/zinc/23/47/16/387234716.db2.gz NVFHHXXMGBZWTJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccncc2F)nc1 ZINC000648552272 387234721 /nfs/dbraw/zinc/23/47/21/387234721.db2.gz NVFHHXXMGBZWTJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CO[C@H](C)[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000353608657 387240691 /nfs/dbraw/zinc/24/06/91/387240691.db2.gz JAIOUSJGRQUHGL-GHMZBOCLSA-N 1 2 243.297 2.791 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424664771 387242246 /nfs/dbraw/zinc/24/22/46/387242246.db2.gz KOHYIYPQIYDMRQ-YPMHNXCESA-N 1 2 246.354 2.831 20 0 BFADLO CC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000336362498 387194239 /nfs/dbraw/zinc/19/42/39/387194239.db2.gz SPZXLQOJRPGECM-NSHDSACASA-N 1 2 217.316 2.733 20 0 BFADLO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000353674211 387255951 /nfs/dbraw/zinc/25/59/51/387255951.db2.gz TWKVODGGZLWCOK-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1ccnc([C@H](C)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000353685409 387259213 /nfs/dbraw/zinc/25/92/13/387259213.db2.gz VMJDCWDPQCSPQI-BFHYXJOUSA-N 1 2 247.386 2.523 20 0 BFADLO Cc1ccnc([C@H](C)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000353685409 387259217 /nfs/dbraw/zinc/25/92/17/387259217.db2.gz VMJDCWDPQCSPQI-BFHYXJOUSA-N 1 2 247.386 2.523 20 0 BFADLO C[C@@H]1[N@H+](Cc2ccc(Cl)o2)CCOC1(C)C ZINC000353872413 387287992 /nfs/dbraw/zinc/28/79/92/387287992.db2.gz VQVUBQLPASKLMO-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO C[C@@H]1[N@@H+](Cc2ccc(Cl)o2)CCOC1(C)C ZINC000353872413 387287996 /nfs/dbraw/zinc/28/79/96/387287996.db2.gz VQVUBQLPASKLMO-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO Cc1occc1CNc1ccc(C)[nH+]c1 ZINC000321684665 387294280 /nfs/dbraw/zinc/29/42/80/387294280.db2.gz ZQFDKSZZTDEBKX-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000321753177 387300691 /nfs/dbraw/zinc/30/06/91/387300691.db2.gz BJGZDGMOZYBJQW-KDXUFGMBSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000360535034 387307460 /nfs/dbraw/zinc/30/74/60/387307460.db2.gz NDYQRAKORYDJIQ-ZDUSSCGKSA-N 1 2 241.338 2.813 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)C1CC1 ZINC000121465658 387354361 /nfs/dbraw/zinc/35/43/61/387354361.db2.gz POEYBFZHHMBOHA-SNVBAGLBSA-N 1 2 233.315 2.652 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C(=O)OC)C(C)C)cc1 ZINC000035061583 387360736 /nfs/dbraw/zinc/36/07/36/387360736.db2.gz QRMBIORCHNLTHU-CQSZACIVSA-N 1 2 249.354 2.536 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C(=O)OC)C(C)C)cc1 ZINC000035061580 387360924 /nfs/dbraw/zinc/36/09/24/387360924.db2.gz QRMBIORCHNLTHU-AWEZNQCLSA-N 1 2 249.354 2.536 20 0 BFADLO CCC[C@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354342869 387361651 /nfs/dbraw/zinc/36/16/51/387361651.db2.gz HIDSCSWQPVFMDD-LBPRGKRZSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1cc(C)c(C[NH2+]Cc2ncccn2)cc1C ZINC000515339805 387365118 /nfs/dbraw/zinc/36/51/18/387365118.db2.gz VMNFGWKNZCSQDB-UHFFFAOYSA-N 1 2 241.338 2.692 20 0 BFADLO COC[C@@H]([NH2+]CCF)c1cccc(Cl)c1F ZINC000287092746 387370451 /nfs/dbraw/zinc/37/04/51/387370451.db2.gz PMUJMSXWOXRFPO-SNVBAGLBSA-N 1 2 249.688 2.726 20 0 BFADLO Cc1cn[nH]c1C[NH2+][C@@H]1CSc2ccccc21 ZINC000336495044 387319676 /nfs/dbraw/zinc/31/96/76/387319676.db2.gz LRSSBIPMXXEBMD-GFCCVEGCSA-N 1 2 245.351 2.655 20 0 BFADLO Cc1c[nH]nc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000336495044 387319682 /nfs/dbraw/zinc/31/96/82/387319682.db2.gz LRSSBIPMXXEBMD-GFCCVEGCSA-N 1 2 245.351 2.655 20 0 BFADLO Cc1nc(C[NH+]2CC3(CCC3(F)F)C2)cs1 ZINC000336501223 387326647 /nfs/dbraw/zinc/32/66/47/387326647.db2.gz LFUSIHIWULINJX-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO Cc1cn2cc(NC(=O)CC3(C)CC3)ccc2[nH+]1 ZINC000336503682 387328603 /nfs/dbraw/zinc/32/86/03/387328603.db2.gz RUBZPGYGEYLBKN-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2ccco2)on1 ZINC000572344447 387335614 /nfs/dbraw/zinc/33/56/14/387335614.db2.gz MIQNFDMXCZRHNO-VIFPVBQESA-N 1 2 248.282 2.663 20 0 BFADLO CC(=O)c1cc(C[N@H+](C)[C@@H](C)c2ccco2)on1 ZINC000572344447 387335621 /nfs/dbraw/zinc/33/56/21/387335621.db2.gz MIQNFDMXCZRHNO-VIFPVBQESA-N 1 2 248.282 2.663 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)n1 ZINC000352587652 387344158 /nfs/dbraw/zinc/34/41/58/387344158.db2.gz CNIASKQZIDMOOE-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360763624 387348165 /nfs/dbraw/zinc/34/81/65/387348165.db2.gz ODENMZVMZUNTHM-GRYCIOLGSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCc1cccs1 ZINC000121481450 387353515 /nfs/dbraw/zinc/35/35/15/387353515.db2.gz WUANUNFUCXYTLE-UHFFFAOYSA-N 1 2 247.323 2.773 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000361275706 387429195 /nfs/dbraw/zinc/42/91/95/387429195.db2.gz QHAUMLXMHSMLTN-GHMZBOCLSA-N 1 2 219.332 2.692 20 0 BFADLO C[C@@H]1CCC[C@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515856137 387431677 /nfs/dbraw/zinc/43/16/77/387431677.db2.gz OVVNXMPKPLSKGQ-MNOVXSKESA-N 1 2 249.358 2.587 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000084102442 387434564 /nfs/dbraw/zinc/43/45/64/387434564.db2.gz RVXBWVPNEPGFLT-JSGCOSHPSA-N 1 2 249.354 2.987 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000084221044 387441756 /nfs/dbraw/zinc/44/17/56/387441756.db2.gz RXTFQSMDWAOUJU-GFCCVEGCSA-N 1 2 249.354 2.849 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000084221044 387441762 /nfs/dbraw/zinc/44/17/62/387441762.db2.gz RXTFQSMDWAOUJU-GFCCVEGCSA-N 1 2 249.354 2.849 20 0 BFADLO CC[C@@H](C)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000354561068 387395534 /nfs/dbraw/zinc/39/55/34/387395534.db2.gz MZKOYJPTLAJKBX-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cnn(C(C)(C)C)c1 ZINC000352654519 387418308 /nfs/dbraw/zinc/41/83/08/387418308.db2.gz MEHZWLUTWBGKQK-UHFFFAOYSA-N 1 2 247.342 2.863 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cnn(C(C)(C)C)c1 ZINC000352654519 387418316 /nfs/dbraw/zinc/41/83/16/387418316.db2.gz MEHZWLUTWBGKQK-UHFFFAOYSA-N 1 2 247.342 2.863 20 0 BFADLO Cc1cc(NC(=O)C[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000516379513 387502244 /nfs/dbraw/zinc/50/22/44/387502244.db2.gz PXCQDNIDQMMWAD-YPMHNXCESA-N 1 2 246.354 2.967 20 0 BFADLO CCN(C)c1ccc(C[N@@H+]2CCC=C(F)C2)cn1 ZINC000361594296 387508580 /nfs/dbraw/zinc/50/85/80/387508580.db2.gz MUQLBGOVMBALOO-UHFFFAOYSA-N 1 2 249.333 2.597 20 0 BFADLO CCN(C)c1ccc(C[N@H+]2CCC=C(F)C2)cn1 ZINC000361594296 387508583 /nfs/dbraw/zinc/50/85/83/387508583.db2.gz MUQLBGOVMBALOO-UHFFFAOYSA-N 1 2 249.333 2.597 20 0 BFADLO CS[C@@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425596782 387524813 /nfs/dbraw/zinc/52/48/13/387524813.db2.gz PEVXBQKFZMDYNC-VIFPVBQESA-N 1 2 238.356 2.779 20 0 BFADLO CC(C)c1nc(N[C@@H](C)CC(F)(F)F)cc[nH+]1 ZINC000361755324 387531778 /nfs/dbraw/zinc/53/17/78/387531778.db2.gz HQYDNYWHCUATBS-QMMMGPOBSA-N 1 2 247.264 2.775 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)nc2)cs1 ZINC000122461636 387532548 /nfs/dbraw/zinc/53/25/48/387532548.db2.gz HRHTVXJNJQXKPH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(C)nc2)cs1 ZINC000122461636 387532553 /nfs/dbraw/zinc/53/25/53/387532553.db2.gz HRHTVXJNJQXKPH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000352826727 387537639 /nfs/dbraw/zinc/53/76/39/387537639.db2.gz SLSSMDFQBIUQLH-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000352826727 387537646 /nfs/dbraw/zinc/53/76/46/387537646.db2.gz SLSSMDFQBIUQLH-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@H+](Cc2ccno2)C1 ZINC000374534615 387464487 /nfs/dbraw/zinc/46/44/87/387464487.db2.gz FBTIDFOAMYABMF-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@@H+](Cc2ccno2)C1 ZINC000374534615 387464490 /nfs/dbraw/zinc/46/44/90/387464490.db2.gz FBTIDFOAMYABMF-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO COC1(C)C[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000362313814 387594928 /nfs/dbraw/zinc/59/49/28/387594928.db2.gz XADKWPYZPTWLAR-JQWIXIFHSA-N 1 2 235.327 2.624 20 0 BFADLO COC1(C)C[NH+](Cc2ccccc2OC(C)C)C1 ZINC000362325368 387595779 /nfs/dbraw/zinc/59/57/79/387595779.db2.gz RZKHCFSNNFUJCM-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCCc1nc(COCc2[nH]cc[nH+]2)cs1 ZINC000123874916 387598893 /nfs/dbraw/zinc/59/88/93/387598893.db2.gz OUCATUYLAFPUOJ-UHFFFAOYSA-N 1 2 237.328 2.536 20 0 BFADLO Cc1cc(NC(=O)C2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000355975711 387601654 /nfs/dbraw/zinc/60/16/54/387601654.db2.gz XUQLVPDHLSWFLT-GHMZBOCLSA-N 1 2 246.354 2.823 20 0 BFADLO CC[C@H](SC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000362397134 387607519 /nfs/dbraw/zinc/60/75/19/387607519.db2.gz PVKSRLVQCXPZKE-JTQLQIEISA-N 1 2 238.356 2.779 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)CC(C)(C)C)cc[nH+]1 ZINC000356085150 387613861 /nfs/dbraw/zinc/61/38/61/387613861.db2.gz AZNDPLVNZHQXMK-SNVBAGLBSA-N 1 2 234.343 2.823 20 0 BFADLO Cc1ccc(Cc2noc(-c3ccoc3)n2)c[nH+]1 ZINC000356136040 387620861 /nfs/dbraw/zinc/62/08/61/387620861.db2.gz NCBAPXROCWRPPZ-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO CC1(C)CCC[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000527241620 387547558 /nfs/dbraw/zinc/54/75/58/387547558.db2.gz JHXJTKKNOUFVRH-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)CCC[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000527241620 387547559 /nfs/dbraw/zinc/54/75/59/387547559.db2.gz JHXJTKKNOUFVRH-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO CCC[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000422795682 387695901 /nfs/dbraw/zinc/69/59/01/387695901.db2.gz WDIBEPFPZYOKFS-LLVKDONJSA-N 1 2 235.331 2.505 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000440779688 387696722 /nfs/dbraw/zinc/69/67/22/387696722.db2.gz NYWAALXNHXJYSN-KGLIPLIRSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000440779688 387696727 /nfs/dbraw/zinc/69/67/27/387696727.db2.gz NYWAALXNHXJYSN-KGLIPLIRSA-N 1 2 237.318 2.808 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1ncccc1F ZINC000527826454 387745454 /nfs/dbraw/zinc/74/54/54/387745454.db2.gz MIMRFJYVAADXCD-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527828168 387749286 /nfs/dbraw/zinc/74/92/86/387749286.db2.gz OKSSMFSCVHNDFY-VIFPVBQESA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccoc2)o1 ZINC000356974280 387756491 /nfs/dbraw/zinc/75/64/91/387756491.db2.gz APVWVWXGNUHACN-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccoc2)o1 ZINC000356974280 387756496 /nfs/dbraw/zinc/75/64/96/387756496.db2.gz APVWVWXGNUHACN-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1[nH]c(CNc2cccc3c2OCC3)[nH+]c1C ZINC000527763604 387699729 /nfs/dbraw/zinc/69/97/29/387699729.db2.gz SKBXJYMEKFUXNA-UHFFFAOYSA-N 1 2 243.310 2.574 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377274149 387708030 /nfs/dbraw/zinc/70/80/30/387708030.db2.gz WGCOMCUOBAIPMK-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377274149 387708039 /nfs/dbraw/zinc/70/80/39/387708039.db2.gz WGCOMCUOBAIPMK-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO C[C@@H]1CC[C@H]([NH+]=c2[nH]c3ccc(F)cc3n2C)C1 ZINC000431422977 387708418 /nfs/dbraw/zinc/70/84/18/387708418.db2.gz RTEMKEBCUOUMNR-KOLCDFICSA-N 1 2 247.317 2.735 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@H]2C(C)C)nc[nH+]1 ZINC000431506867 387714401 /nfs/dbraw/zinc/71/44/01/387714401.db2.gz PRNPMWHKNZCOLY-GFCCVEGCSA-N 1 2 219.332 2.656 20 0 BFADLO CC[N@H+](CCC[C@H](C)O)c1cccc(C)c1 ZINC000045619930 387719369 /nfs/dbraw/zinc/71/93/69/387719369.db2.gz NGFUBZOFLKWGOP-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@H](C)O)c1cccc(C)c1 ZINC000045619930 387719374 /nfs/dbraw/zinc/71/93/74/387719374.db2.gz NGFUBZOFLKWGOP-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO CCCc1nc(C[NH+]2CCC3(CCC3)CC2)no1 ZINC000367553940 387728546 /nfs/dbraw/zinc/72/85/46/387728546.db2.gz QZCXCNRNVOYWTN-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO Cc1cc(NC(=O)C2(CC(C)C)CC2)cc[nH+]1 ZINC000441272918 387741677 /nfs/dbraw/zinc/74/16/77/387741677.db2.gz AZBXBWBHVLGTRQ-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cc(C)ccc2C)n1 ZINC000356894814 387741687 /nfs/dbraw/zinc/74/16/87/387741687.db2.gz NTCCHJNJKGSXNW-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)[C@@H](NC(=O)C1CC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000356998051 387762619 /nfs/dbraw/zinc/76/26/19/387762619.db2.gz MXRDLAOQVMJVPM-LLVKDONJSA-N 1 2 249.358 2.659 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](CC(C)C)C1 ZINC000527910683 387763681 /nfs/dbraw/zinc/76/36/81/387763681.db2.gz METMSJPOBVOJDP-GFCCVEGCSA-N 1 2 234.343 2.963 20 0 BFADLO Cc1cc(C)cc(CNc2cccc(CO)[nH+]2)c1 ZINC000432735674 387812106 /nfs/dbraw/zinc/81/21/06/387812106.db2.gz NLGPDMQGYJPPOB-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CC[C@@H](C)CN(C)c1[nH+]cccc1OC ZINC000527890016 387774597 /nfs/dbraw/zinc/77/45/97/387774597.db2.gz LUVKSMVDHNOZLW-SNVBAGLBSA-N 1 2 208.305 2.573 20 0 BFADLO COC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527897723 387778109 /nfs/dbraw/zinc/77/81/09/387778109.db2.gz AIQVZOFTKLDEEX-LBPRGKRZSA-N 1 2 242.322 2.708 20 0 BFADLO CC[C@@H](F)CSCc1[nH+]ccn1CC ZINC000442549838 387804101 /nfs/dbraw/zinc/80/41/01/387804101.db2.gz ZPTISFYSOINYHR-SECBINFHSA-N 1 2 216.325 2.884 20 0 BFADLO CCC(C)(C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333237 387805201 /nfs/dbraw/zinc/80/52/01/387805201.db2.gz IVKGRGCMHFNUTB-UHFFFAOYSA-N 1 2 249.358 2.984 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CCC(F)(F)C1 ZINC000527993395 387805725 /nfs/dbraw/zinc/80/57/25/387805725.db2.gz CQARHQLPKOLOGV-VIFPVBQESA-N 1 2 242.269 2.938 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)C(F)(F)F ZINC000527968619 387811000 /nfs/dbraw/zinc/81/10/00/387811000.db2.gz VCSDJGLFKSFGME-ZETCQYMHSA-N 1 2 234.221 2.701 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]1C1CCC1 ZINC000528037366 387820925 /nfs/dbraw/zinc/82/09/25/387820925.db2.gz BHOSPCKPPSCQGD-RYUDHWBXSA-N 1 2 232.327 2.938 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000054935748 387830027 /nfs/dbraw/zinc/83/00/27/387830027.db2.gz NMBLCGKBQXLQIC-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442793630 387840638 /nfs/dbraw/zinc/84/06/38/387840638.db2.gz BUBDXYUDUHTSNW-QMMMGPOBSA-N 1 2 247.264 2.803 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442793630 387840642 /nfs/dbraw/zinc/84/06/42/387840642.db2.gz BUBDXYUDUHTSNW-QMMMGPOBSA-N 1 2 247.264 2.803 20 0 BFADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cocn1)C2 ZINC000432929646 387844197 /nfs/dbraw/zinc/84/41/97/387844197.db2.gz YLTGCRDENHDKSK-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)CC[N@H+](Cc1cocn1)C2 ZINC000432929646 387844202 /nfs/dbraw/zinc/84/42/02/387844202.db2.gz YLTGCRDENHDKSK-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442799980 387844731 /nfs/dbraw/zinc/84/47/31/387844731.db2.gz JJQPYVGWWSLCTQ-DCAQKATOSA-N 1 2 237.347 2.659 20 0 BFADLO C[C@H]1CC(F)(F)CCN1c1cccc[nH+]1 ZINC000528205268 387869010 /nfs/dbraw/zinc/86/90/10/387869010.db2.gz JREIDOWYGUXPMX-VIFPVBQESA-N 1 2 212.243 2.706 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452413185 387817223 /nfs/dbraw/zinc/81/72/23/387817223.db2.gz DDGOJBPQROTSOI-VXGBXAGGSA-N 1 2 249.358 2.664 20 0 BFADLO CC(C)[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000444749358 387919496 /nfs/dbraw/zinc/91/94/96/387919496.db2.gz REVSIADWENMNQQ-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000444749358 387919502 /nfs/dbraw/zinc/91/95/02/387919502.db2.gz REVSIADWENMNQQ-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CN(Cc1cc(C(C)(C)C)n[nH]1)c1cccc[nH+]1 ZINC000444865835 387934209 /nfs/dbraw/zinc/93/42/09/387934209.db2.gz SADZKTNINCZWOW-UHFFFAOYSA-N 1 2 244.342 2.739 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000438477757 387935798 /nfs/dbraw/zinc/93/57/98/387935798.db2.gz MGARUWWKOOEYBL-JTQLQIEISA-N 1 2 249.280 2.785 20 0 BFADLO CC[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)OC ZINC000106032270 387941126 /nfs/dbraw/zinc/94/11/26/387941126.db2.gz SMCADNRONDEFKT-UONOGXRCSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@@H]1C[N@H+](CC2=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000645811031 387961982 /nfs/dbraw/zinc/96/19/82/387961982.db2.gz RXDSWVXNKKRPJU-KOLCDFICSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000645811031 387961985 /nfs/dbraw/zinc/96/19/85/387961985.db2.gz RXDSWVXNKKRPJU-KOLCDFICSA-N 1 2 249.276 2.748 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccoc1C ZINC000453073090 387978934 /nfs/dbraw/zinc/97/89/34/387978934.db2.gz AKUYGUYYUYMBGS-SNVBAGLBSA-N 1 2 233.315 2.655 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+]1CCc2ncsc2C1 ZINC000445846905 387974421 /nfs/dbraw/zinc/97/44/21/387974421.db2.gz BMXLMGZRGHXVMW-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](c1ccccn1)[N@H+]1CCc2ncsc2C1 ZINC000445846905 387974425 /nfs/dbraw/zinc/97/44/25/387974425.db2.gz BMXLMGZRGHXVMW-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1c[nH+]c(C)nc1NCCCc1ccccc1 ZINC000514697084 387976106 /nfs/dbraw/zinc/97/61/06/387976106.db2.gz VLUFMCIRFAUWIP-UHFFFAOYSA-N 1 2 241.338 2.560 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000245854326 387987642 /nfs/dbraw/zinc/98/76/42/387987642.db2.gz DSDGGIKRBUGDGX-PJXYFTJBSA-N 1 2 230.311 2.683 20 0 BFADLO COc1ccccc1CSCc1c[nH+]cn1C ZINC000439537432 388007698 /nfs/dbraw/zinc/00/76/98/388007698.db2.gz RVBBBRATJXWYDX-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@@H](C)O1 ZINC000246174062 388016809 /nfs/dbraw/zinc/01/68/09/388016809.db2.gz OTRVUPVDFXMHFN-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO CSCCCNc1cc[nH+]c2ccncc12 ZINC000268020975 388019119 /nfs/dbraw/zinc/01/91/19/388019119.db2.gz YOYPCJRCIGFPGH-UHFFFAOYSA-N 1 2 233.340 2.795 20 0 BFADLO CC[C@H]1CO[C@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000447080727 388052987 /nfs/dbraw/zinc/05/29/87/388052987.db2.gz YSKAUQVUTFAWAL-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC[C@H](C)F ZINC000455442262 388160359 /nfs/dbraw/zinc/16/03/59/388160359.db2.gz PEOADQKEBUTRQX-VIFPVBQESA-N 1 2 239.294 2.568 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccncc1F ZINC000449238007 388160377 /nfs/dbraw/zinc/16/03/77/388160377.db2.gz DZEUEZRRYGVLID-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccncc1F ZINC000449238007 388160379 /nfs/dbraw/zinc/16/03/79/388160379.db2.gz DZEUEZRRYGVLID-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO CC[C@H](NC(=O)C1=CC[C@@H](C)CC1)c1[nH]cc[nH+]1 ZINC000456063862 388175266 /nfs/dbraw/zinc/17/52/66/388175266.db2.gz JZDMMFBRSZCWBK-PWSUYJOCSA-N 1 2 247.342 2.723 20 0 BFADLO Cc1ccc(NC(=O)N2CCC(C)(C)C2)c(C)[nH+]1 ZINC000152205588 388177270 /nfs/dbraw/zinc/17/72/70/388177270.db2.gz ZSSCGINISCHLJI-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000449353056 388179844 /nfs/dbraw/zinc/17/98/44/388179844.db2.gz ZUQPIWHTIKLKEC-QMTHXVAHSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000449353056 388179845 /nfs/dbraw/zinc/17/98/45/388179845.db2.gz ZUQPIWHTIKLKEC-QMTHXVAHSA-N 1 2 247.338 2.766 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)C(F)F ZINC000449356736 388180563 /nfs/dbraw/zinc/18/05/63/388180563.db2.gz ARVKUYMYSTZJEB-SNVBAGLBSA-N 1 2 247.260 2.968 20 0 BFADLO FCC(CF)[NH2+]Cc1ccccc1Cl ZINC000449372584 388185424 /nfs/dbraw/zinc/18/54/24/388185424.db2.gz JLGLIJQJILESPS-UHFFFAOYSA-N 1 2 219.662 2.737 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3c[nH]cn3)CCC2)c1 ZINC000646001998 388123150 /nfs/dbraw/zinc/12/31/50/388123150.db2.gz FOJKVPNSWKUGKS-UHFFFAOYSA-N 1 2 245.301 2.718 20 0 BFADLO Cc1ccc(C[NH2+]C(CF)CF)c(C)c1 ZINC000449374339 388186538 /nfs/dbraw/zinc/18/65/38/388186538.db2.gz YKRGSYUMACSHMM-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000449384599 388190060 /nfs/dbraw/zinc/19/00/60/388190060.db2.gz CDIPWBPRBFVKKK-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000449384599 388190062 /nfs/dbraw/zinc/19/00/62/388190062.db2.gz CDIPWBPRBFVKKK-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000449390945 388192186 /nfs/dbraw/zinc/19/21/86/388192186.db2.gz XDRDKUMLXDAMDL-JFGNBEQYSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000449390945 388192190 /nfs/dbraw/zinc/19/21/90/388192190.db2.gz XDRDKUMLXDAMDL-JFGNBEQYSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000449390946 388192473 /nfs/dbraw/zinc/19/24/73/388192473.db2.gz XDRDKUMLXDAMDL-SCVCMEIPSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000449390946 388192474 /nfs/dbraw/zinc/19/24/74/388192474.db2.gz XDRDKUMLXDAMDL-SCVCMEIPSA-N 1 2 223.291 2.947 20 0 BFADLO Fc1cccc2[nH]c(C[N@H+]3CC[C@@H](F)C3)cc21 ZINC000449392105 388193272 /nfs/dbraw/zinc/19/32/72/388193272.db2.gz IXASKTVYFHPIKH-SECBINFHSA-N 1 2 236.265 2.851 20 0 BFADLO Fc1cccc2[nH]c(C[N@@H+]3CC[C@@H](F)C3)cc21 ZINC000449392105 388193273 /nfs/dbraw/zinc/19/32/73/388193273.db2.gz IXASKTVYFHPIKH-SECBINFHSA-N 1 2 236.265 2.851 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1F ZINC000449393637 388193531 /nfs/dbraw/zinc/19/35/31/388193531.db2.gz MHYGVBYDGQEBLI-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1F ZINC000449393637 388193532 /nfs/dbraw/zinc/19/35/32/388193532.db2.gz MHYGVBYDGQEBLI-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@H](F)C2)c1F ZINC000449398282 388194676 /nfs/dbraw/zinc/19/46/76/388194676.db2.gz XLLXEEPSMTYFFQ-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@H](F)C2)c1F ZINC000449398282 388194679 /nfs/dbraw/zinc/19/46/79/388194679.db2.gz XLLXEEPSMTYFFQ-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CC[C@H](C)C1 ZINC000456346466 388195390 /nfs/dbraw/zinc/19/53/90/388195390.db2.gz HFDHREMKKJEAJF-SRVKXCTJSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC1CCC1 ZINC000456343563 388195665 /nfs/dbraw/zinc/19/56/65/388195665.db2.gz FOIONMZVLKYWQE-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1=C(C)CCC1 ZINC000456352849 388196349 /nfs/dbraw/zinc/19/63/49/388196349.db2.gz LWLIGZFBYLWOQT-NSHDSACASA-N 1 2 247.342 2.581 20 0 BFADLO C[C@H]1C[C@H](NC(=O)CCC2CCC2)c2[nH+]ccn21 ZINC000456399359 388199439 /nfs/dbraw/zinc/19/94/39/388199439.db2.gz CUOGLGSKZQYIBW-JQWIXIFHSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000456404923 388199652 /nfs/dbraw/zinc/19/96/52/388199652.db2.gz XCZMSNWVKDNPEO-MXWKQRLJSA-N 1 2 249.358 2.687 20 0 BFADLO CC[C@@H]1CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000489055160 388203130 /nfs/dbraw/zinc/20/31/30/388203130.db2.gz CDXFLKMMGJOUFX-LLVKDONJSA-N 1 2 219.332 2.897 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456849908 388227590 /nfs/dbraw/zinc/22/75/90/388227590.db2.gz VQHITKQHCIJNNY-UKRRQHHQSA-N 1 2 246.354 2.751 20 0 BFADLO CCC[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456852756 388227916 /nfs/dbraw/zinc/22/79/16/388227916.db2.gz XIZQFAZTNTYWDQ-SNVBAGLBSA-N 1 2 234.343 2.751 20 0 BFADLO CCOC1C[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000459577386 388246677 /nfs/dbraw/zinc/24/66/77/388246677.db2.gz BUOODPQVVDICGP-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO C/C=C(/C=C\C(=O)N[C@@H](CC)c1[nH]cc[nH+]1)CC ZINC000492006426 388331507 /nfs/dbraw/zinc/33/15/07/388331507.db2.gz VIFFTWJMIAJRFY-RTBKEBLHSA-N 1 2 247.342 2.890 20 0 BFADLO CC(C)OC(=O)[C@@H]([NH2+][C@H]1C=CCCC1)C(C)C ZINC000451610185 388284062 /nfs/dbraw/zinc/28/40/62/388284062.db2.gz SQWFLWGUSQCCMP-STQMWFEESA-N 1 2 239.359 2.661 20 0 BFADLO C[C@H](O)C[N@H+](CCC1=CCCCC1)CC(F)F ZINC000451827919 388298803 /nfs/dbraw/zinc/29/88/03/388298803.db2.gz HIBOGSCKVSYLBW-NSHDSACASA-N 1 2 247.329 2.825 20 0 BFADLO C[C@H](O)C[N@@H+](CCC1=CCCCC1)CC(F)F ZINC000451827919 388298805 /nfs/dbraw/zinc/29/88/05/388298805.db2.gz HIBOGSCKVSYLBW-NSHDSACASA-N 1 2 247.329 2.825 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)cc1 ZINC000275755300 388345720 /nfs/dbraw/zinc/34/57/20/388345720.db2.gz SJLSKQAUFUXOQX-NEPJUHHUSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCCC2(C)C)cc[nH+]1 ZINC000519623112 256654117 /nfs/dbraw/zinc/65/41/17/256654117.db2.gz DFFBCEHKPBXBBZ-CYBMUJFWSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000572907304 388387217 /nfs/dbraw/zinc/38/72/17/388387217.db2.gz KGJOKPBMSHIJBI-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000572907304 388387219 /nfs/dbraw/zinc/38/72/19/388387219.db2.gz KGJOKPBMSHIJBI-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Fc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294165031 388395620 /nfs/dbraw/zinc/39/56/20/388395620.db2.gz QXZMFLJDLNEHGK-NSHDSACASA-N 1 2 217.247 2.579 20 0 BFADLO Clc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000237744429 388398028 /nfs/dbraw/zinc/39/80/28/388398028.db2.gz ZOCUSUUINOCWMI-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C(F)(F)F ZINC000308626054 388445218 /nfs/dbraw/zinc/44/52/18/388445218.db2.gz WIUUJTCJXRFLRC-MAUMQABQSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C(F)(F)F ZINC000308626053 388445318 /nfs/dbraw/zinc/44/53/18/388445318.db2.gz WIUUJTCJXRFLRC-KDXUFGMBSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H]2CCC[C@H]2O)c1Cl ZINC000336262451 388456324 /nfs/dbraw/zinc/45/63/24/388456324.db2.gz LHIAOJWXNSGZNN-VHSXEESVSA-N 1 2 240.734 2.616 20 0 BFADLO Cc1[nH]c(C(=O)NCC(C)(C)C2=CCCC2)c[nH+]1 ZINC000515428730 256745195 /nfs/dbraw/zinc/74/51/95/256745195.db2.gz NFMPLGMRCJSSJL-UHFFFAOYSA-N 1 2 247.342 2.584 20 0 BFADLO c1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000309695872 388461235 /nfs/dbraw/zinc/46/12/35/388461235.db2.gz RHGRXCLUTUISIB-PEGIJTEDSA-N 1 2 215.300 2.564 20 0 BFADLO Cc1cc(NC(=O)Cc2ccccc2)cc[nH+]1 ZINC000074932070 388461851 /nfs/dbraw/zinc/46/18/51/388461851.db2.gz KKOHYVQRVMSSKZ-UHFFFAOYSA-N 1 2 226.279 2.571 20 0 BFADLO Cc1cc(NC(=O)c2ccc(F)cc2F)cc[nH+]1 ZINC000074949499 388462386 /nfs/dbraw/zinc/46/23/86/388462386.db2.gz LUGPWHIOULFREJ-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000177155114 388476735 /nfs/dbraw/zinc/47/67/35/388476735.db2.gz ZPHWKOJPZQKGRE-IINYFYTJSA-N 1 2 247.342 2.522 20 0 BFADLO CCc1cnc(C[NH+]2C[C@@H](C)S[C@H](C)C2)o1 ZINC000524754923 388408112 /nfs/dbraw/zinc/40/81/12/388408112.db2.gz AKCPALPFJGVJGD-NXEZZACHSA-N 1 2 240.372 2.563 20 0 BFADLO Cc1ccc(N[C@@H]2CSC[C@@H]2C)c(C)[nH+]1 ZINC000295686343 388413772 /nfs/dbraw/zinc/41/37/72/388413772.db2.gz LIPJKRWYBCNIFQ-QPUJVOFHSA-N 1 2 222.357 2.862 20 0 BFADLO Cc1sccc1C[NH2+][C@H](C)c1ccon1 ZINC000339350844 388482974 /nfs/dbraw/zinc/48/29/74/388482974.db2.gz YVPWDYNXHGEEHX-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO c1ccc(CNc2cc(NC3CC3)[nH+]cn2)cc1 ZINC000244165654 388488248 /nfs/dbraw/zinc/48/82/48/388488248.db2.gz VANQNQJDRZCZSL-UHFFFAOYSA-N 1 2 240.310 2.663 20 0 BFADLO c1ccc(CNc2cc(NC3CC3)nc[nH+]2)cc1 ZINC000244165654 388488250 /nfs/dbraw/zinc/48/82/50/388488250.db2.gz VANQNQJDRZCZSL-UHFFFAOYSA-N 1 2 240.310 2.663 20 0 BFADLO CC[C@@H](NC(=O)c1cc(C)cs1)c1[nH]cc[nH+]1 ZINC000344537472 388507858 /nfs/dbraw/zinc/50/78/58/388507858.db2.gz ZHWMVVPKNLCWLO-SECBINFHSA-N 1 2 249.339 2.661 20 0 BFADLO C/C(Cl)=C\C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000528450897 388527347 /nfs/dbraw/zinc/52/73/47/388527347.db2.gz QUMBMQATEGTPFF-KNIZRNDPSA-N 1 2 231.752 2.640 20 0 BFADLO C/C(Cl)=C\C[NH2+][C@H](C)c1nnc(C)s1 ZINC000528450903 388527525 /nfs/dbraw/zinc/52/75/25/388527525.db2.gz QUMBMQATEGTPFF-PTYLAXBQSA-N 1 2 231.752 2.640 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480608 388532828 /nfs/dbraw/zinc/53/28/28/388532828.db2.gz GKTWJJYUODYBTD-FZPLPXEFSA-N 1 2 225.723 2.689 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480608 388532830 /nfs/dbraw/zinc/53/28/30/388532830.db2.gz GKTWJJYUODYBTD-FZPLPXEFSA-N 1 2 225.723 2.689 20 0 BFADLO CC(=O)c1cc(NCc2[nH+]ccn2C)ccc1C ZINC000517041604 388536030 /nfs/dbraw/zinc/53/60/30/388536030.db2.gz VWVVANXOTSOYHW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nocc1C[NH2+][C@H]1COc2ccc(C)cc21 ZINC000549780244 388590870 /nfs/dbraw/zinc/59/08/70/388590870.db2.gz DYWUNUSKLFYKCG-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccns2)[C@H](CC)CO1 ZINC000630073265 388615395 /nfs/dbraw/zinc/61/53/95/388615395.db2.gz SFGPQILYJPGWQN-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccns2)[C@H](CC)CO1 ZINC000630073265 388615397 /nfs/dbraw/zinc/61/53/97/388615397.db2.gz SFGPQILYJPGWQN-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)CCc1noc(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548754171 388557539 /nfs/dbraw/zinc/55/75/39/388557539.db2.gz VMNNAQFHEMSVMX-PHIMTYICSA-N 1 2 237.347 2.641 20 0 BFADLO CC(C)CCc1noc(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548754171 388557542 /nfs/dbraw/zinc/55/75/42/388557542.db2.gz VMNNAQFHEMSVMX-PHIMTYICSA-N 1 2 237.347 2.641 20 0 BFADLO Cc1cncc(C[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000528824612 388576367 /nfs/dbraw/zinc/57/63/67/388576367.db2.gz PNWQOYAQPIFYLB-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO Cc1cc([NH2+][C@@H]2CCCC[C@H]2O)cc(C)c1O ZINC000522014453 388674643 /nfs/dbraw/zinc/67/46/43/388674643.db2.gz TVJFSNHFCLNEHY-CHWSQXEVSA-N 1 2 235.327 2.724 20 0 BFADLO CC(C)[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189573426 388638184 /nfs/dbraw/zinc/63/81/84/388638184.db2.gz DMKIYTPNMRRBGV-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189573426 388638187 /nfs/dbraw/zinc/63/81/87/388638187.db2.gz DMKIYTPNMRRBGV-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO Cc1nc(N2CC[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000246927091 388654552 /nfs/dbraw/zinc/65/45/52/388654552.db2.gz YSRUIBFKFOEZEW-WDEREUQCSA-N 1 2 219.332 2.657 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCCS2)cc[nH+]1 ZINC000128048339 388737283 /nfs/dbraw/zinc/73/72/83/388737283.db2.gz MDAFYQKAXZOYCC-SNVBAGLBSA-N 1 2 237.372 2.908 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000250913899 388742099 /nfs/dbraw/zinc/74/20/99/388742099.db2.gz FBSJDIULGAUJLZ-PTEHBNRSSA-N 1 2 220.316 2.758 20 0 BFADLO CC[C@H](C)CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000538971086 388743769 /nfs/dbraw/zinc/74/37/69/388743769.db2.gz KIRJSKTUASUWTQ-ZDUSSCGKSA-N 1 2 247.386 2.952 20 0 BFADLO CC(C)([NH2+]Cc1nccs1)c1nccs1 ZINC000227219947 388744615 /nfs/dbraw/zinc/74/46/15/388744615.db2.gz HVTBYAOPGTZYSN-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO Clc1ccc2c(c1)CN(Cc1[nH]cc[nH+]1)CC2 ZINC000090614085 388748776 /nfs/dbraw/zinc/74/87/76/388748776.db2.gz LHDCVZSIXKGBNO-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO CC(C)c1nc(NCc2ncccc2F)cc[nH+]1 ZINC000127655894 388728393 /nfs/dbraw/zinc/72/83/93/388728393.db2.gz MAMFSQHSOVWQHQ-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccoc2)[nH]1 ZINC000540147359 388795986 /nfs/dbraw/zinc/79/59/86/388795986.db2.gz RMLZPNSSEMEPIM-ZJUUUORDSA-N 1 2 248.330 2.933 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C2CCC1CC2 ZINC000554388122 388813958 /nfs/dbraw/zinc/81/39/58/388813958.db2.gz DCAYLCPBAYYMEG-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO CC1(C)C[N@H+](CC2(F)CC2)[C@@H]1c1cccnc1 ZINC000555687226 388859865 /nfs/dbraw/zinc/85/98/65/388859865.db2.gz RIURTKQPSONWLB-GFCCVEGCSA-N 1 2 234.318 2.967 20 0 BFADLO CC1(C)C[N@@H+](CC2(F)CC2)[C@@H]1c1cccnc1 ZINC000555687226 388859870 /nfs/dbraw/zinc/85/98/70/388859870.db2.gz RIURTKQPSONWLB-GFCCVEGCSA-N 1 2 234.318 2.967 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000541691003 388864287 /nfs/dbraw/zinc/86/42/87/388864287.db2.gz LKYWUFOBOMXGRM-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO COC1(C)CN(c2[nH+]ccc3c(C)cccc32)C1 ZINC000565305165 388936341 /nfs/dbraw/zinc/93/63/41/388936341.db2.gz WRFRPCIFIIUHMX-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1[nH]c(CNCc2cccc(Cl)c2)[nH+]c1C ZINC000565241351 388931334 /nfs/dbraw/zinc/93/13/34/388931334.db2.gz CWWXDRSLIFPZOU-UHFFFAOYSA-N 1 2 249.745 2.970 20 0 BFADLO Cc1occc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000565644600 388960537 /nfs/dbraw/zinc/96/05/37/388960537.db2.gz LNQZSVBNESNCFP-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@H]1CCCO1 ZINC000153199414 388950603 /nfs/dbraw/zinc/95/06/03/388950603.db2.gz PABXEPFPRXPBEN-VXGBXAGGSA-N 1 2 249.358 2.970 20 0 BFADLO Cc1nc(N2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000266136137 132184428 /nfs/dbraw/zinc/18/44/28/132184428.db2.gz FROZZHVGCNWBHU-SECBINFHSA-N 1 2 245.248 2.564 20 0 BFADLO C[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000266511613 132187818 /nfs/dbraw/zinc/18/78/18/132187818.db2.gz XSOIKACWZWYTKI-GHMZBOCLSA-N 1 2 231.343 2.979 20 0 BFADLO C[C@H](Nc1cc(N2CCCCC2)nc[nH+]1)C1CC1 ZINC000267165357 132188233 /nfs/dbraw/zinc/18/82/33/132188233.db2.gz AYZCASQYYKQMEA-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H](Nc1cc(N2CCCCC2)[nH+]cn1)C1CC1 ZINC000267165357 132188235 /nfs/dbraw/zinc/18/82/35/132188235.db2.gz AYZCASQYYKQMEA-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO Cn1c[nH+]cc1CN1CCSc2ccccc21 ZINC000267734894 132190495 /nfs/dbraw/zinc/19/04/95/132190495.db2.gz XVDWOHVFVRPEPK-UHFFFAOYSA-N 1 2 245.351 2.532 20 0 BFADLO Cc1cc(N2CC=C(C)CC2)nc(C2CC2)[nH+]1 ZINC000270047022 132195429 /nfs/dbraw/zinc/19/54/29/132195429.db2.gz BJMQYWWPDRPWJR-UHFFFAOYSA-N 1 2 229.327 2.819 20 0 BFADLO Cn1cc[nH+]c1CN1CCCc2ccc(F)cc21 ZINC000299658657 132223100 /nfs/dbraw/zinc/22/31/00/132223100.db2.gz ZYPAXDTYPYKYNW-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)S1 ZINC000301467234 132254090 /nfs/dbraw/zinc/25/40/90/132254090.db2.gz MGSSXPJCBUVPIG-UWVGGRQHSA-N 1 2 249.383 2.684 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCO[C@@H](C)C1 ZINC000301543639 132254421 /nfs/dbraw/zinc/25/44/21/132254421.db2.gz DEPAPTFNBHSWCY-LBPRGKRZSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1ccc2c(c1)CCN(c1cccc[nH+]1)C2 ZINC000302741137 132266331 /nfs/dbraw/zinc/26/63/31/132266331.db2.gz ZBNPUBQOHPYDKY-UHFFFAOYSA-N 1 2 224.307 2.953 20 0 BFADLO CC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110200218 132267686 /nfs/dbraw/zinc/26/76/86/132267686.db2.gz XGELQHAXIAWPSC-LLVKDONJSA-N 1 2 231.343 2.980 20 0 BFADLO CC1=C[C@H](C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000362376014 132281407 /nfs/dbraw/zinc/28/14/07/132281407.db2.gz NVKWOPRNRYXFLX-VIFPVBQESA-N 1 2 242.326 2.669 20 0 BFADLO c1ccc(N2CCO[C@H](C3CCCCC3)C2)[nH+]c1 ZINC000374914072 132287575 /nfs/dbraw/zinc/28/75/75/132287575.db2.gz QXZVFRKEBIVANM-AWEZNQCLSA-N 1 2 246.354 2.867 20 0 BFADLO C[C@H]([NH2+]c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000020143814 132330184 /nfs/dbraw/zinc/33/01/84/132330184.db2.gz MYINFMWMOUXAMB-LBPRGKRZSA-N 1 2 246.354 2.734 20 0 BFADLO CC1C[NH+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000335929339 134010127 /nfs/dbraw/zinc/01/01/27/134010127.db2.gz RYGBXVBQRKKJEG-UHFFFAOYSA-N 1 2 249.745 2.678 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000335939120 134013814 /nfs/dbraw/zinc/01/38/14/134013814.db2.gz CPRARSJLLVVMEV-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000335939120 134013815 /nfs/dbraw/zinc/01/38/15/134013815.db2.gz CPRARSJLLVVMEV-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cc(O)cc(F)c1 ZINC000351994118 134032899 /nfs/dbraw/zinc/03/28/99/134032899.db2.gz DLECFZMXXXEQFY-UHFFFAOYSA-N 1 2 235.258 2.756 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cc(O)cc(F)c1 ZINC000351994118 134032900 /nfs/dbraw/zinc/03/29/00/134032900.db2.gz DLECFZMXXXEQFY-UHFFFAOYSA-N 1 2 235.258 2.756 20 0 BFADLO C[C@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CCO1 ZINC000335985947 134038646 /nfs/dbraw/zinc/03/86/46/134038646.db2.gz GHIUTGOUYYODNK-WCQYABFASA-N 1 2 246.354 2.940 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CCO1 ZINC000335985946 134038897 /nfs/dbraw/zinc/03/88/97/134038897.db2.gz GHIUTGOUYYODNK-DGCLKSJQSA-N 1 2 246.354 2.940 20 0 BFADLO CSC1(C[N@@H+]2CCC(F)(F)C2)CCC1 ZINC000336012207 134051624 /nfs/dbraw/zinc/05/16/24/134051624.db2.gz AADPLWIGBSVNNB-UHFFFAOYSA-N 1 2 221.316 2.613 20 0 BFADLO CSC1(C[N@H+]2CCC(F)(F)C2)CCC1 ZINC000336012207 134051625 /nfs/dbraw/zinc/05/16/25/134051625.db2.gz AADPLWIGBSVNNB-UHFFFAOYSA-N 1 2 221.316 2.613 20 0 BFADLO Cc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000336044521 134063032 /nfs/dbraw/zinc/06/30/32/134063032.db2.gz XAYPHJHBAQCJAL-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO Cc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000336044521 134063033 /nfs/dbraw/zinc/06/30/33/134063033.db2.gz XAYPHJHBAQCJAL-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO C[C@H]1CC[N@@H+](CCc2cccnc2)CC1(F)F ZINC000336104944 134084385 /nfs/dbraw/zinc/08/43/85/134084385.db2.gz HLJFHRWVRWPPBV-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)on1 ZINC000336160134 134110450 /nfs/dbraw/zinc/11/04/50/134110450.db2.gz ITRIQZYQCLHWNE-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nccs2)on1 ZINC000336160134 134110451 /nfs/dbraw/zinc/11/04/51/134110451.db2.gz ITRIQZYQCLHWNE-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO CCc1nc(C[N@@H+]2CCCCC(C)(C)C2)no1 ZINC000336180761 134119479 /nfs/dbraw/zinc/11/94/79/134119479.db2.gz XQMIYERDRYKVEP-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO C[C@]1(F)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000336185014 134121206 /nfs/dbraw/zinc/12/12/06/134121206.db2.gz METJWEKVDZBFJQ-AWEZNQCLSA-N 1 2 245.301 2.958 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1cccs1 ZINC000336201440 134131032 /nfs/dbraw/zinc/13/10/32/134131032.db2.gz PFIXXCCRYUBZLG-UHFFFAOYSA-N 1 2 246.335 2.941 20 0 BFADLO Fc1cccc2c1CCC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000336213447 134135844 /nfs/dbraw/zinc/13/58/44/134135844.db2.gz XBZNLQZPFUPBCL-CQSZACIVSA-N 1 2 245.301 2.716 20 0 BFADLO COC(=O)CCC[N@H+](C)c1cccc(C)c1C ZINC000172075185 134261530 /nfs/dbraw/zinc/26/15/30/134261530.db2.gz HSUNQEWKCGFNFW-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO COC(=O)CCC[N@@H+](C)c1cccc(C)c1C ZINC000172075185 134261531 /nfs/dbraw/zinc/26/15/31/134261531.db2.gz HSUNQEWKCGFNFW-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO c1ncc(C[N@H+]2CC=C(c3ccccc3)CC2)[nH]1 ZINC000179544071 134321574 /nfs/dbraw/zinc/32/15/74/134321574.db2.gz QQYIUBAWVHFKBL-UHFFFAOYSA-N 1 2 239.322 2.699 20 0 BFADLO c1ncc(C[N@@H+]2CC=C(c3ccccc3)CC2)[nH]1 ZINC000179544071 134321575 /nfs/dbraw/zinc/32/15/75/134321575.db2.gz QQYIUBAWVHFKBL-UHFFFAOYSA-N 1 2 239.322 2.699 20 0 BFADLO CC(C)C[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000185217735 134374936 /nfs/dbraw/zinc/37/49/36/134374936.db2.gz VTZBFJIETRVNKQ-LLVKDONJSA-N 1 2 249.358 2.768 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccn1)c1nccs1 ZINC000070717469 135009839 /nfs/dbraw/zinc/00/98/39/135009839.db2.gz SRCSJBNTUHVUJJ-NSHDSACASA-N 1 2 233.340 2.779 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC[C@@H](C)O1 ZINC000248890664 135025218 /nfs/dbraw/zinc/02/52/18/135025218.db2.gz IDNDXEGLEPSICD-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC[C@@H](C)O1 ZINC000248890664 135025220 /nfs/dbraw/zinc/02/52/20/135025220.db2.gz IDNDXEGLEPSICD-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO CCc1nc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)no1 ZINC000249735561 135044811 /nfs/dbraw/zinc/04/48/11/135044811.db2.gz FDQUFFICALGVQB-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)no1 ZINC000249735561 135044814 /nfs/dbraw/zinc/04/48/14/135044814.db2.gz FDQUFFICALGVQB-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CC(C)c1nc(C[N@@H+](C(C)C)C2CCC2)no1 ZINC000077357838 135063742 /nfs/dbraw/zinc/06/37/42/135063742.db2.gz IJCVHPCLHCJNMR-UHFFFAOYSA-N 1 2 237.347 2.956 20 0 BFADLO CC(C)c1nc(C[N@H+](C(C)C)C2CCC2)no1 ZINC000077357838 135063743 /nfs/dbraw/zinc/06/37/43/135063743.db2.gz IJCVHPCLHCJNMR-UHFFFAOYSA-N 1 2 237.347 2.956 20 0 BFADLO CCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000263708374 135127635 /nfs/dbraw/zinc/12/76/35/135127635.db2.gz HSBGBCVLNALWIG-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO Cn1cc[nH+]c1CNc1c(F)cccc1Cl ZINC000164403468 135241400 /nfs/dbraw/zinc/24/14/00/135241400.db2.gz WUTVZJKVHZECSQ-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1(C)CC1)c1ccccc1C ZINC000342398416 135271195 /nfs/dbraw/zinc/27/11/95/135271195.db2.gz GUSAUADSJNRXED-CYBMUJFWSA-N 1 2 247.338 2.599 20 0 BFADLO Cc1nn(C)c(C)c1Nc1[nH]c2ccccc2[nH+]1 ZINC000342709737 135313121 /nfs/dbraw/zinc/31/31/21/135313121.db2.gz LNXJREZILMZVMV-UHFFFAOYSA-N 1 2 241.298 2.657 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@H](C)c2cccs2)n1C ZINC000342790750 135318678 /nfs/dbraw/zinc/31/86/78/135318678.db2.gz MQSDDBBTAJCGSG-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccs2)n1C ZINC000342790750 135318679 /nfs/dbraw/zinc/31/86/79/135318679.db2.gz MQSDDBBTAJCGSG-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccs2)n1C ZINC000342790750 135318680 /nfs/dbraw/zinc/31/86/80/135318680.db2.gz MQSDDBBTAJCGSG-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@@H](C)c2cccs2)n1C ZINC000342790751 135318872 /nfs/dbraw/zinc/31/88/72/135318872.db2.gz MQSDDBBTAJCGSG-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccs2)n1C ZINC000342790751 135318873 /nfs/dbraw/zinc/31/88/73/135318873.db2.gz MQSDDBBTAJCGSG-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccs2)n1C ZINC000342790751 135318875 /nfs/dbraw/zinc/31/88/75/135318875.db2.gz MQSDDBBTAJCGSG-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)C[C@@H]1C ZINC000334164331 135321849 /nfs/dbraw/zinc/32/18/49/135321849.db2.gz ACKDFMYLPJZDGI-ONGXEEELSA-N 1 2 247.342 2.961 20 0 BFADLO NC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000334302094 135346539 /nfs/dbraw/zinc/34/65/39/135346539.db2.gz ZMDWJEHABQZANY-UHFFFAOYSA-N 1 2 214.224 2.757 20 0 BFADLO c1cc(N2CC[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000334304267 135347435 /nfs/dbraw/zinc/34/74/35/135347435.db2.gz CGDRUXBRPFAHNQ-GFCCVEGCSA-N 1 2 229.327 2.590 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c(C)c1 ZINC000164488093 135370133 /nfs/dbraw/zinc/37/01/33/135370133.db2.gz CXGSDVGGNXIOKT-CHWSQXEVSA-N 1 2 221.344 2.552 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccno1 ZINC000334364687 135372398 /nfs/dbraw/zinc/37/23/98/135372398.db2.gz GWRFGANGVQLANT-JTQLQIEISA-N 1 2 214.268 2.751 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccno1 ZINC000334364687 135372399 /nfs/dbraw/zinc/37/23/99/135372399.db2.gz GWRFGANGVQLANT-JTQLQIEISA-N 1 2 214.268 2.751 20 0 BFADLO Cc1cc(C)cc(CN2CCn3cc[nH+]c3C2)c1 ZINC000334365919 135374045 /nfs/dbraw/zinc/37/40/45/135374045.db2.gz OXUGQPCLUNJZRI-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(N2CCC[C@@H]2CF)nc(C(C)C)[nH+]1 ZINC000334387615 135381362 /nfs/dbraw/zinc/38/13/62/135381362.db2.gz PLUUWDFCKNNQRQ-LLVKDONJSA-N 1 2 237.322 2.847 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnn(C(C)C)c2)o1 ZINC000231529072 135611796 /nfs/dbraw/zinc/61/17/96/135611796.db2.gz YDFWQFFYSQGOAE-LLVKDONJSA-N 1 2 248.330 2.611 20 0 BFADLO CSc1ccc(N[C@@H]2COC(C)(C)C2)[nH+]c1 ZINC000334945431 135865636 /nfs/dbraw/zinc/86/56/36/135865636.db2.gz QUQFXJXVBCXXTJ-VIFPVBQESA-N 1 2 238.356 2.783 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@H](C)C2)c[nH+]1 ZINC000335057627 135875312 /nfs/dbraw/zinc/87/53/12/135875312.db2.gz KEYPVUDPRKMELA-GXFFZTMASA-N 1 2 246.354 2.751 20 0 BFADLO CC1=C(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCC1 ZINC000335160702 135923660 /nfs/dbraw/zinc/92/36/60/135923660.db2.gz YZQHFXDJEATSSG-JQWIXIFHSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000335350874 136068730 /nfs/dbraw/zinc/06/87/30/136068730.db2.gz LLCLREHEESNDEF-DTWKUNHWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)o1 ZINC000335350874 136068731 /nfs/dbraw/zinc/06/87/31/136068731.db2.gz LLCLREHEESNDEF-DTWKUNHWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[NH2+]C2(C(F)F)CC2)cc(C)c1O ZINC000348357367 136072315 /nfs/dbraw/zinc/07/23/15/136072315.db2.gz OUPRXIPRNXENAR-UHFFFAOYSA-N 1 2 241.281 2.896 20 0 BFADLO Cc1[nH]c(C(=O)NCC(C)(C)C(C)(C)C)c[nH+]1 ZINC000348448273 136079114 /nfs/dbraw/zinc/07/91/14/136079114.db2.gz YRCNBESYKHWHKM-UHFFFAOYSA-N 1 2 237.347 2.520 20 0 BFADLO Fc1cccc(F)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583982 136101240 /nfs/dbraw/zinc/10/12/40/136101240.db2.gz MPBHKEIDDVMPOX-IUCAKERBSA-N 1 2 241.306 2.655 20 0 BFADLO Fc1cccc(F)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335583982 136101241 /nfs/dbraw/zinc/10/12/41/136101241.db2.gz MPBHKEIDDVMPOX-IUCAKERBSA-N 1 2 241.306 2.655 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000348668728 136116128 /nfs/dbraw/zinc/11/61/28/136116128.db2.gz DUFABVLSUMPIQX-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000348668728 136116129 /nfs/dbraw/zinc/11/61/29/136116129.db2.gz DUFABVLSUMPIQX-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(F)cc2C)no1 ZINC000050577713 322851819 /nfs/dbraw/zinc/85/18/19/322851819.db2.gz FLQQTGKGYWJVFB-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO FC(F)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172852572 397832332 /nfs/dbraw/zinc/83/23/32/397832332.db2.gz GUOAQODMCUDVHN-GFCCVEGCSA-N 1 2 225.282 2.816 20 0 BFADLO FC(F)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000172852572 397832334 /nfs/dbraw/zinc/83/23/34/397832334.db2.gz GUOAQODMCUDVHN-GFCCVEGCSA-N 1 2 225.282 2.816 20 0 BFADLO c1ccc(NC[C@@H]2OCCc3ccccc32)[nH+]c1 ZINC000364217316 397887137 /nfs/dbraw/zinc/88/71/37/397887137.db2.gz LWBNFTSYZRKWGT-AWEZNQCLSA-N 1 2 240.306 2.808 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCCCOC ZINC000190771132 397887385 /nfs/dbraw/zinc/88/73/85/397887385.db2.gz YCCXKMQYBFTCIJ-UHFFFAOYSA-N 1 2 223.316 2.758 20 0 BFADLO CC(C)C(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000439173925 397925053 /nfs/dbraw/zinc/92/50/53/397925053.db2.gz VMDUZCGPFFCSEI-UHFFFAOYSA-N 1 2 245.326 2.955 20 0 BFADLO CCn1cccc1CNc1cc(COC)cc[nH+]1 ZINC000650243190 398005215 /nfs/dbraw/zinc/00/52/15/398005215.db2.gz NRPJBMIWQARIFH-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO COCc1cc[nH+]c(NCc2ccc(C)o2)c1 ZINC000650244883 398007389 /nfs/dbraw/zinc/00/73/89/398007389.db2.gz TWLAPEKZVAKHSC-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)cc2C)n1 ZINC000038034492 398024998 /nfs/dbraw/zinc/02/49/98/398024998.db2.gz DRWCPVZDVSMUQA-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)ns1 ZINC000277547601 398030499 /nfs/dbraw/zinc/03/04/99/398030499.db2.gz HLZNVEBIAWAHPV-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO COC(=O)C[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000610213312 398037791 /nfs/dbraw/zinc/03/77/91/398037791.db2.gz ZJATWBMIBDOQCD-UHFFFAOYSA-N 1 2 249.354 2.808 20 0 BFADLO CSc1ccccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000272899592 397988700 /nfs/dbraw/zinc/98/87/00/397988700.db2.gz JNLSEQQPRSFMPG-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000272899592 397988704 /nfs/dbraw/zinc/98/87/04/397988704.db2.gz JNLSEQQPRSFMPG-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CCCCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283505456 398074662 /nfs/dbraw/zinc/07/46/62/398074662.db2.gz PFYYVQMYPNYIFV-BCPZQOPPSA-N 1 2 249.358 2.898 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nccs1 ZINC000649716937 398057415 /nfs/dbraw/zinc/05/74/15/398057415.db2.gz QUXOJSRMSOFKDO-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nccs1 ZINC000649716937 398057420 /nfs/dbraw/zinc/05/74/20/398057420.db2.gz QUXOJSRMSOFKDO-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CCC1(C)CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000291604948 398097393 /nfs/dbraw/zinc/09/73/93/398097393.db2.gz ASIHLMWPPBXKFE-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO c1cc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc(C2CC2)c1 ZINC000643293636 398127444 /nfs/dbraw/zinc/12/74/44/398127444.db2.gz DMQVCVJZPNUHHZ-CABCVRRESA-N 1 2 229.323 2.537 20 0 BFADLO c1cc(C[N@H+]2CCO[C@H]3C[C@H]32)cc(C2CC2)c1 ZINC000643293636 398127447 /nfs/dbraw/zinc/12/74/47/398127447.db2.gz DMQVCVJZPNUHHZ-CABCVRRESA-N 1 2 229.323 2.537 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1csnn1 ZINC000398270376 322868696 /nfs/dbraw/zinc/86/86/96/322868696.db2.gz GUPCNNSTLGBKPJ-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1ccoc1 ZINC000087289984 322876629 /nfs/dbraw/zinc/87/66/29/322876629.db2.gz OZDXPKBERCZOIO-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO c1[nH+]c(S[C@@H]2CCCOC2)n2ccccc12 ZINC000674303459 487557676 /nfs/dbraw/zinc/55/76/76/487557676.db2.gz IYONQHFVFAXKNH-LLVKDONJSA-N 1 2 234.324 2.605 20 0 BFADLO Cc1cccc2c1CCCN2Cc1c[nH+]cn1C ZINC000674369996 487566718 /nfs/dbraw/zinc/56/67/18/487566718.db2.gz PGHCUPDNFUBRBG-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO Cn1c[nH+]cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000674373102 487568402 /nfs/dbraw/zinc/56/84/02/487568402.db2.gz VZWIBZDJWIADKV-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@@H]1Oc2ccccc2[C@H]1C ZINC000680426931 487592401 /nfs/dbraw/zinc/59/24/01/487592401.db2.gz LKQUSZZEJHAMOH-VYUIOLGVSA-N 1 2 241.281 2.794 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@H]1Oc2ccccc2[C@H]1C ZINC000680426932 487592510 /nfs/dbraw/zinc/59/25/10/487592510.db2.gz LKQUSZZEJHAMOH-ZDMBXUJBSA-N 1 2 241.281 2.794 20 0 BFADLO c1ccc2[nH+]c(N3CCC4(CC4)C3)[nH]c2c1 ZINC000685918142 487595566 /nfs/dbraw/zinc/59/55/66/487595566.db2.gz DKRHNTSUECVMFO-UHFFFAOYSA-N 1 2 213.284 2.553 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC2(CC2)C1 ZINC000685918439 487596453 /nfs/dbraw/zinc/59/64/53/487596453.db2.gz FCPIDJLYPAMZBJ-UHFFFAOYSA-N 1 2 227.311 2.564 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccn(C)n1 ZINC000680460097 487598834 /nfs/dbraw/zinc/59/88/34/487598834.db2.gz QKASRFMZPBUBMY-NWDGAFQWSA-N 1 2 244.342 2.617 20 0 BFADLO CC(C)SCC[N@H+](C)Cc1nccs1 ZINC000283126297 167324289 /nfs/dbraw/zinc/32/42/89/167324289.db2.gz NEGCBJOVFVXSQY-UHFFFAOYSA-N 1 2 230.402 2.717 20 0 BFADLO CC(C)SCC[N@@H+](C)Cc1nccs1 ZINC000283126297 167324291 /nfs/dbraw/zinc/32/42/91/167324291.db2.gz NEGCBJOVFVXSQY-UHFFFAOYSA-N 1 2 230.402 2.717 20 0 BFADLO CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCCC1 ZINC000673436054 487608059 /nfs/dbraw/zinc/60/80/59/487608059.db2.gz LZHHOBWRKVRMDH-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(C)c2)n1 ZINC000653890965 487610042 /nfs/dbraw/zinc/61/00/42/487610042.db2.gz TYWFJLSQTFQFIJ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(C)c2)n1 ZINC000653890965 487610046 /nfs/dbraw/zinc/61/00/46/487610046.db2.gz TYWFJLSQTFQFIJ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CC(C)c1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660925345 409970495 /nfs/dbraw/zinc/97/04/95/409970495.db2.gz BSFXEMZJBAFWBD-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660925345 409970504 /nfs/dbraw/zinc/97/05/04/409970504.db2.gz BSFXEMZJBAFWBD-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CCCOCC1 ZINC000651971590 409942000 /nfs/dbraw/zinc/94/20/00/409942000.db2.gz LPDRGKRPZODXIZ-SNVBAGLBSA-N 1 2 238.356 2.785 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CCCOCC1 ZINC000651971589 409942418 /nfs/dbraw/zinc/94/24/18/409942418.db2.gz LPDRGKRPZODXIZ-JTQLQIEISA-N 1 2 238.356 2.785 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)COC(C)C ZINC000651979852 410114972 /nfs/dbraw/zinc/11/49/72/410114972.db2.gz NEXMVCKUWRDZMM-NSHDSACASA-N 1 2 222.332 2.869 20 0 BFADLO Brc1ccc(Cn2cc[nH+]c2)s1 ZINC000034384531 166098486 /nfs/dbraw/zinc/09/84/86/166098486.db2.gz XBNBQTNJANLCSU-UHFFFAOYSA-N 1 2 243.129 2.755 20 0 BFADLO Fc1ccccc1C1C[NH+](Cc2nccs2)C1 ZINC000643355211 410521233 /nfs/dbraw/zinc/52/12/33/410521233.db2.gz AVKSMQOASWWGAT-UHFFFAOYSA-N 1 2 248.326 2.882 20 0 BFADLO C[C@@H]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000664393839 410575080 /nfs/dbraw/zinc/57/50/80/410575080.db2.gz IESFCNIFOXILEW-PWSUYJOCSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1nc(N2CC[C@@H]3C[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000664526199 410594561 /nfs/dbraw/zinc/59/45/61/410594561.db2.gz TYXSLESMDWXPRZ-VXGBXAGGSA-N 1 2 243.354 2.510 20 0 BFADLO C1=C(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000664544630 410598523 /nfs/dbraw/zinc/59/85/23/410598523.db2.gz ZMWFHXAZLKQYQL-UHFFFAOYSA-N 1 2 215.300 2.876 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661415282 410628938 /nfs/dbraw/zinc/62/89/38/410628938.db2.gz XNXRDFAVZQDNGI-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661415282 410628944 /nfs/dbraw/zinc/62/89/44/410628944.db2.gz XNXRDFAVZQDNGI-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1ccc(C[NH2+]CC(C)(F)F)cc1F ZINC000393510963 410737484 /nfs/dbraw/zinc/73/74/84/410737484.db2.gz GFBHPCYWKBNTNM-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO Cc1ccc(N[C@H](C)Cc2cnccn2)c(C)[nH+]1 ZINC000651300917 410908218 /nfs/dbraw/zinc/90/82/18/410908218.db2.gz JZZLFLUQFFPSGL-LLVKDONJSA-N 1 2 242.326 2.532 20 0 BFADLO CC(C)Oc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000036896240 167297090 /nfs/dbraw/zinc/29/70/90/167297090.db2.gz WHXKOPADRVGRCJ-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CC(C)Oc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000267777066 167297640 /nfs/dbraw/zinc/29/76/40/167297640.db2.gz MIQADVKSNZNFPM-UHFFFAOYSA-N 1 2 246.310 2.786 20 0 BFADLO COc1cc(C)c(-c2c[nH]c[nH+]2)cc1C ZINC000041211162 410913772 /nfs/dbraw/zinc/91/37/72/410913772.db2.gz GYJSLJFXXPLBDT-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO Cc1nocc1C[NH2+]Cc1c(F)cccc1F ZINC000398047173 410940592 /nfs/dbraw/zinc/94/05/92/410940592.db2.gz CKASNIJKKGCWJD-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cnccc1C[NH2+][C@H]1CCCC1(F)F ZINC000398130486 410941834 /nfs/dbraw/zinc/94/18/34/410941834.db2.gz STKVVIRWQMGWHV-NSHDSACASA-N 1 2 226.270 2.667 20 0 BFADLO C[C@@H]1C[C@@H](N[C@H]2CCCC2(F)F)c2[nH+]ccn21 ZINC000398127820 410944392 /nfs/dbraw/zinc/94/43/92/410944392.db2.gz SCBCVSGKBXIFGR-BBBLOLIVSA-N 1 2 241.285 2.666 20 0 BFADLO C[C@@H]1C[C@H](N[C@@H]2CCCC2(F)F)c2[nH+]ccn21 ZINC000398127822 410944845 /nfs/dbraw/zinc/94/48/45/410944845.db2.gz SCBCVSGKBXIFGR-KXUCPTDWSA-N 1 2 241.285 2.666 20 0 BFADLO FC1(F)C[C@@]12CCN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000651487813 411068396 /nfs/dbraw/zinc/06/83/96/411068396.db2.gz HYFZXBBDNRNXLS-GFCCVEGCSA-N 1 2 249.264 2.798 20 0 BFADLO CC(C)c1nc(C[NH2+][C@@H](C)CF)c2ccccn21 ZINC000651812343 411144857 /nfs/dbraw/zinc/14/48/57/411144857.db2.gz VJOJNXCGOHRSOZ-NSHDSACASA-N 1 2 249.333 2.905 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(OC)cc1F)C(F)F ZINC000651818121 411145231 /nfs/dbraw/zinc/14/52/31/411145231.db2.gz LEJFWYIRFACWAR-NSHDSACASA-N 1 2 247.260 2.968 20 0 BFADLO COc1cc(C[N@@H+]2Cc3ccccc3[C@H]2C)on1 ZINC000659977618 411153267 /nfs/dbraw/zinc/15/32/67/411153267.db2.gz SXTLHOAHGMLOEF-SNVBAGLBSA-N 1 2 244.294 2.760 20 0 BFADLO COc1cc(C[N@H+]2Cc3ccccc3[C@H]2C)on1 ZINC000659977618 411153268 /nfs/dbraw/zinc/15/32/68/411153268.db2.gz SXTLHOAHGMLOEF-SNVBAGLBSA-N 1 2 244.294 2.760 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccsc1 ZINC000653663134 411160656 /nfs/dbraw/zinc/16/06/56/411160656.db2.gz FALHQFBTZCTGRS-BDAKNGLRSA-N 1 2 248.355 2.532 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc[nH+]1 ZINC000302601092 167688977 /nfs/dbraw/zinc/68/89/77/167688977.db2.gz YOBBFABCABQQKI-TUAOUCFPSA-N 1 2 247.342 2.579 20 0 BFADLO CC(C)c1nc(N[C@@H]2CSC[C@H]2C)cc[nH+]1 ZINC000309549221 167689608 /nfs/dbraw/zinc/68/96/08/167689608.db2.gz HPJKQGZIZFSKKA-NXEZZACHSA-N 1 2 237.372 2.763 20 0 BFADLO CC[C@@H](C)CNc1cc(COC)cc[nH+]1 ZINC000652068020 411104840 /nfs/dbraw/zinc/10/48/40/411104840.db2.gz PHWPNBHIFRJGGZ-SNVBAGLBSA-N 1 2 208.305 2.686 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H](C)C2)c1 ZINC000652068511 411104883 /nfs/dbraw/zinc/10/48/83/411104883.db2.gz FYQSDYDZJKZHOO-PWSUYJOCSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C)C2)c1 ZINC000652068509 411105535 /nfs/dbraw/zinc/10/55/35/411105535.db2.gz FYQSDYDZJKZHOO-CMPLNLGQSA-N 1 2 220.316 2.829 20 0 BFADLO CC(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514813 411123881 /nfs/dbraw/zinc/12/38/81/411123881.db2.gz NTDVDWLWDREEBH-UHFFFAOYSA-N 1 2 243.310 2.857 20 0 BFADLO COc1c(C)[nH+]cnc1NC1CCCCC1 ZINC000656103756 411178910 /nfs/dbraw/zinc/17/89/10/411178910.db2.gz GGLNOTAUKSKGMS-UHFFFAOYSA-N 1 2 221.304 2.538 20 0 BFADLO Cc1ccc(CCNc2nc(C)[nH+]cc2C)o1 ZINC000656108736 411179433 /nfs/dbraw/zinc/17/94/33/411179433.db2.gz QYZQRFABMAMYQC-UHFFFAOYSA-N 1 2 231.299 2.649 20 0 BFADLO COc1c(C)[nH+]cnc1NCCc1ccsc1 ZINC000656108118 411179546 /nfs/dbraw/zinc/17/95/46/411179546.db2.gz OQGQKEOLWCWFFG-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO Cc1[nH+]cccc1NC1CC(CF)(CF)C1 ZINC000657954955 411179661 /nfs/dbraw/zinc/17/96/61/411179661.db2.gz XMLBDVSXKQTAOV-UHFFFAOYSA-N 1 2 226.270 2.890 20 0 BFADLO COc1c(C)[nH+]cnc1NCCCC(F)(F)F ZINC000656132166 411184813 /nfs/dbraw/zinc/18/48/13/411184813.db2.gz FRDZJJPRGXFVCZ-UHFFFAOYSA-N 1 2 249.236 2.548 20 0 BFADLO CCC1(CNc2nc(C)[nH+]cc2C)CCOCC1 ZINC000656135933 411185327 /nfs/dbraw/zinc/18/53/27/411185327.db2.gz UVXYZLKYFNWYCF-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO COc1c(C)[nH+]cnc1N(C)C[C@@H]1CC=CCC1 ZINC000656157547 411190554 /nfs/dbraw/zinc/19/05/54/411190554.db2.gz PKGXEXVVDHLEHQ-GFCCVEGCSA-N 1 2 247.342 2.586 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ccncc1)C2 ZINC000653834135 411196375 /nfs/dbraw/zinc/19/63/75/411196375.db2.gz HSYJUBIZUZOOAP-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ccncc1)C2 ZINC000653834135 411196376 /nfs/dbraw/zinc/19/63/76/411196376.db2.gz HSYJUBIZUZOOAP-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1cccnc1)C2 ZINC000653834203 411196797 /nfs/dbraw/zinc/19/67/97/411196797.db2.gz LROUADATEOUOIL-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1cccnc1)C2 ZINC000653834203 411196798 /nfs/dbraw/zinc/19/67/98/411196798.db2.gz LROUADATEOUOIL-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@@H](C1CC1)C1CCC1 ZINC000656198649 411202717 /nfs/dbraw/zinc/20/27/17/411202717.db2.gz BLEXXNPIOITPRC-GFCCVEGCSA-N 1 2 247.342 2.784 20 0 BFADLO COCC1(CNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000656212837 411211996 /nfs/dbraw/zinc/21/19/96/411211996.db2.gz HOGVMJCJUXSVTK-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO COC[C@@H](CC(C)(C)C)Nc1cc[nH+]c(C)n1 ZINC000656220312 411213114 /nfs/dbraw/zinc/21/31/14/411213114.db2.gz KVHGUDWNGMYHGR-LLVKDONJSA-N 1 2 237.347 2.648 20 0 BFADLO COC[C@H](CC(C)(C)C)Nc1cc[nH+]c(C)n1 ZINC000656220313 411213385 /nfs/dbraw/zinc/21/33/85/411213385.db2.gz KVHGUDWNGMYHGR-NSHDSACASA-N 1 2 237.347 2.648 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000656265880 411221149 /nfs/dbraw/zinc/22/11/49/411221149.db2.gz MKQDPFFJYZESIA-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO Fc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1F ZINC000656266421 411221933 /nfs/dbraw/zinc/22/19/33/411221933.db2.gz WJTOVJKUCSHAIG-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO CCN(CC)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301556054 169805143 /nfs/dbraw/zinc/80/51/43/169805143.db2.gz SHGDMABIXDYTJJ-UHFFFAOYSA-N 1 2 207.321 2.620 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](CC1(F)CC1)C2 ZINC000656274891 411224938 /nfs/dbraw/zinc/22/49/38/411224938.db2.gz GUEILCXOVVNPBE-UHFFFAOYSA-N 1 2 221.275 2.513 20 0 BFADLO COc1ccc2c(c1)C[N@H+](CC1(F)CC1)C2 ZINC000656274891 411224940 /nfs/dbraw/zinc/22/49/40/411224940.db2.gz GUEILCXOVVNPBE-UHFFFAOYSA-N 1 2 221.275 2.513 20 0 BFADLO C[C@@H]1CC=C(C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000652413567 411233986 /nfs/dbraw/zinc/23/39/86/411233986.db2.gz ZNWAUVLQKVIOSK-SNVBAGLBSA-N 1 2 247.342 2.507 20 0 BFADLO CCSc1ccc(-c2[nH+]ccn2C)cn1 ZINC000656371359 411236856 /nfs/dbraw/zinc/23/68/56/411236856.db2.gz GAFZGHLSTYBZFE-UHFFFAOYSA-N 1 2 219.313 2.594 20 0 BFADLO CC(C)[C@H](O)Cc1ccccc1-c1[nH+]ccn1C ZINC000656371685 411237737 /nfs/dbraw/zinc/23/77/37/411237737.db2.gz OSCNUPABKAVTRG-CQSZACIVSA-N 1 2 244.338 2.647 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cscn2)cn1 ZINC000656683372 411327040 /nfs/dbraw/zinc/32/70/40/411327040.db2.gz YWNUCXJRKVILSN-UWVGGRQHSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cscn1 ZINC000658151128 411266940 /nfs/dbraw/zinc/26/69/40/411266940.db2.gz DOEMQGUTKYDRKT-ZJUUUORDSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@H](N[C@H]1CCCn2cc[nH+]c21)c1cscn1 ZINC000658153260 411267791 /nfs/dbraw/zinc/26/77/91/411267791.db2.gz SMGVTPJQYSVCFA-UWVGGRQHSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658152056 411268056 /nfs/dbraw/zinc/26/80/56/411268056.db2.gz OTQBSWGNGPGAPP-WCBMZHEXSA-N 1 2 248.355 2.653 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1ccc(C)[nH+]c1)OC ZINC000653469456 411291327 /nfs/dbraw/zinc/29/13/27/411291327.db2.gz ZTROVCWILMDGFS-ZWNOBZJWSA-N 1 2 222.332 2.863 20 0 BFADLO C=C/C(C)=C/CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000654001415 411309433 /nfs/dbraw/zinc/30/94/33/411309433.db2.gz IVKRQQRDPCYBAL-YTRUQHMWSA-N 1 2 247.342 2.603 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)CCCC2CC2)c2[nH+]ccn21 ZINC000654010756 411312713 /nfs/dbraw/zinc/31/27/13/411312713.db2.gz UAOQQLDQZVSEFK-CMPLNLGQSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cccc(C[NH+]2CC(C(F)F)C2)c1F ZINC000656691982 411331587 /nfs/dbraw/zinc/33/15/87/411331587.db2.gz RRNUYRGBWYHHOC-UHFFFAOYSA-N 1 2 229.245 2.831 20 0 BFADLO Cc1cccc(CC2C[NH+](Cc3cocn3)C2)c1 ZINC000656648306 411315769 /nfs/dbraw/zinc/31/57/69/411315769.db2.gz ZPSLKGOZSWHAGW-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO c1csc(C[NH+]2CC3(C2)CCCCC3)n1 ZINC000656659036 411318375 /nfs/dbraw/zinc/31/83/75/411318375.db2.gz VOXLRVVUFZZWKB-UHFFFAOYSA-N 1 2 222.357 2.909 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccc(O)cc2)C1 ZINC000656667617 411320111 /nfs/dbraw/zinc/32/01/11/411320111.db2.gz JTOIFXXRRVCBDT-UHFFFAOYSA-N 1 2 249.354 2.783 20 0 BFADLO CC(C)n1cc[nH+]c1CNc1ncccc1F ZINC000656771785 411365065 /nfs/dbraw/zinc/36/50/65/411365065.db2.gz FEEFYXGMZTWHCP-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cnn(C)c1 ZINC000658337108 411344304 /nfs/dbraw/zinc/34/43/04/411344304.db2.gz NFGGVZWQPRPHCJ-VIFPVBQESA-N 1 2 245.317 2.752 20 0 BFADLO CC1(C)[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@@H]21 ZINC000270568487 168013379 /nfs/dbraw/zinc/01/33/79/168013379.db2.gz MJRRKLQCIBMIJY-AOOOYVTPSA-N 1 2 227.311 2.655 20 0 BFADLO C[C@@H](NCC(F)(F)C(C)(C)C)c1[nH+]ccn1C ZINC000658337727 411346531 /nfs/dbraw/zinc/34/65/31/411346531.db2.gz VYYLQWBBIWJHFI-SECBINFHSA-N 1 2 245.317 2.752 20 0 BFADLO CC1=CCC[C@H](C)[C@@H]1CNc1ccc(CO)c[nH+]1 ZINC000356322067 168103189 /nfs/dbraw/zinc/10/31/89/168103189.db2.gz QMDYEHPFQJFBQA-GXTWGEPZSA-N 1 2 246.354 2.978 20 0 BFADLO CC1=C[C@H](C)C[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000356423800 168128275 /nfs/dbraw/zinc/12/82/75/168128275.db2.gz LRVBUCCIXMLYFP-CMPLNLGQSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=C[C@H](C)C[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000356423800 168128277 /nfs/dbraw/zinc/12/82/77/168128277.db2.gz LRVBUCCIXMLYFP-CMPLNLGQSA-N 1 2 247.329 2.538 20 0 BFADLO CC1CCC(=CC(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000151665923 168149432 /nfs/dbraw/zinc/14/94/32/168149432.db2.gz YIUWWRBYZOCQMM-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO C=C/C(C)=C/CC(=O)NCc1c[nH+]c(C)cc1C ZINC000654380159 411383057 /nfs/dbraw/zinc/38/30/57/411383057.db2.gz TURHQRJSZLTJGA-IZZDOVSWSA-N 1 2 244.338 2.837 20 0 BFADLO CCC(C)(C)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000191924570 168279234 /nfs/dbraw/zinc/27/92/34/168279234.db2.gz PVTUCNJHZJAQOI-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO CCC(C)(C)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000336673587 168288382 /nfs/dbraw/zinc/28/83/82/168288382.db2.gz KXXYDUQXOJEPLC-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO CCC(C)(C)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000336673587 168288385 /nfs/dbraw/zinc/28/83/85/168288385.db2.gz KXXYDUQXOJEPLC-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C)c(C)c2)[nH+]1 ZINC000657319477 411459994 /nfs/dbraw/zinc/45/99/94/411459994.db2.gz GIIGHNWCNPYUPG-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO O[C@@H](C[N@@H+]1CCCC(F)(F)C1)C1CCCCC1 ZINC000405048453 411414919 /nfs/dbraw/zinc/41/49/19/411414919.db2.gz IGBNXNXRXQKVIM-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H](C[N@H+]1CCCC(F)(F)C1)C1CCCCC1 ZINC000405048453 411414922 /nfs/dbraw/zinc/41/49/22/411414922.db2.gz IGBNXNXRXQKVIM-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCCC(F)(F)C1 ZINC000405114447 411417468 /nfs/dbraw/zinc/41/74/68/411417468.db2.gz QKYZAPVZCQHEEO-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@H+]1CCCC(F)(F)C1 ZINC000405114447 411417470 /nfs/dbraw/zinc/41/74/70/411417470.db2.gz QKYZAPVZCQHEEO-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO c1csc(C[N@@H+]2CCc3sccc3C2)n1 ZINC000269612152 411424103 /nfs/dbraw/zinc/42/41/03/411424103.db2.gz BMURWPLFBWXSFS-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1csc(C[N@H+]2CCc3sccc3C2)n1 ZINC000269612152 411424108 /nfs/dbraw/zinc/42/41/08/411424108.db2.gz BMURWPLFBWXSFS-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Cc1c[nH]c(CNc2cccc(C)c2C)[nH+]1 ZINC000657317761 411462965 /nfs/dbraw/zinc/46/29/65/411462965.db2.gz FJORNCHHLXPIBB-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)n1 ZINC000657317484 411463110 /nfs/dbraw/zinc/46/31/10/411463110.db2.gz BUIINKATLXWIGC-CABZTGNLSA-N 1 2 245.326 2.724 20 0 BFADLO CO[C@H](C)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000272798269 411435184 /nfs/dbraw/zinc/43/51/84/411435184.db2.gz KNYGQKWDWZBWRD-SECBINFHSA-N 1 2 245.725 2.946 20 0 BFADLO CO[C@H](C)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000272798269 411435187 /nfs/dbraw/zinc/43/51/87/411435187.db2.gz KNYGQKWDWZBWRD-SECBINFHSA-N 1 2 245.725 2.946 20 0 BFADLO CCc1ccccc1NCc1[nH]cc(C)[nH+]1 ZINC000657318718 411463601 /nfs/dbraw/zinc/46/36/01/411463601.db2.gz VGUWXNFHGZTIDE-UHFFFAOYSA-N 1 2 215.300 2.893 20 0 BFADLO COc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655738334 411444596 /nfs/dbraw/zinc/44/45/96/411444596.db2.gz KPLKSCLCCYBHFU-CYBMUJFWSA-N 1 2 243.310 2.839 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657288932 411450183 /nfs/dbraw/zinc/45/01/83/411450183.db2.gz HVVOXHIKZKHEPK-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO O=C(CCC1CCCCCC1)NCc1c[nH+]c[nH]1 ZINC000654819452 411450372 /nfs/dbraw/zinc/45/03/72/411450372.db2.gz KQJAQHIWWKFLRT-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO O=C(CCC1CCCCCC1)NCc1c[nH]c[nH+]1 ZINC000654819452 411450374 /nfs/dbraw/zinc/45/03/74/411450374.db2.gz KQJAQHIWWKFLRT-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(Br)o2)C1 ZINC000306526167 411451499 /nfs/dbraw/zinc/45/14/99/411451499.db2.gz SWYUDUMCILFEJT-UHFFFAOYSA-N 1 2 244.132 2.884 20 0 BFADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccccc2)[nH]1 ZINC000659828220 411466996 /nfs/dbraw/zinc/46/69/96/411466996.db2.gz XTNLUKNOBDXRLJ-NSHDSACASA-N 1 2 244.342 2.560 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000659828220 411466997 /nfs/dbraw/zinc/46/69/97/411466997.db2.gz XTNLUKNOBDXRLJ-NSHDSACASA-N 1 2 244.342 2.560 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659878182 411488674 /nfs/dbraw/zinc/48/86/74/411488674.db2.gz JCAXNASKFONNCD-BBBLOLIVSA-N 1 2 203.276 2.620 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659878182 411488676 /nfs/dbraw/zinc/48/86/76/411488676.db2.gz JCAXNASKFONNCD-BBBLOLIVSA-N 1 2 203.276 2.620 20 0 BFADLO c1nc(NCC2CC2)cc(NCCC2CC2)[nH+]1 ZINC000301840592 411494618 /nfs/dbraw/zinc/49/46/18/411494618.db2.gz YFRPRIXPPDBANC-UHFFFAOYSA-N 1 2 232.331 2.511 20 0 BFADLO c1nc(NCCC2CC2)cc(NCC2CC2)[nH+]1 ZINC000301840592 411494621 /nfs/dbraw/zinc/49/46/21/411494621.db2.gz YFRPRIXPPDBANC-UHFFFAOYSA-N 1 2 232.331 2.511 20 0 BFADLO CC(C)n1cc[nH+]c1CNc1ccccc1CO ZINC000657404120 411497316 /nfs/dbraw/zinc/49/73/16/411497316.db2.gz BZWVUZIPCUEHMY-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CC(C)=CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000659947786 411508141 /nfs/dbraw/zinc/50/81/41/411508141.db2.gz MUYPGJHETNASSB-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000659947786 411508142 /nfs/dbraw/zinc/50/81/42/411508142.db2.gz MUYPGJHETNASSB-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO CC[N@H+](Cc1nc(C)oc1C)Cc1ccccn1 ZINC000660000021 411525419 /nfs/dbraw/zinc/52/54/19/411525419.db2.gz KWSXVZQWKQZHFZ-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nc(C)oc1C)Cc1ccccn1 ZINC000660000021 411525420 /nfs/dbraw/zinc/52/54/20/411525420.db2.gz KWSXVZQWKQZHFZ-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccs2)c(C)o1 ZINC000659826361 411465728 /nfs/dbraw/zinc/46/57/28/411465728.db2.gz LTEFBKDZAKKARA-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccs2)c(C)o1 ZINC000659826361 411465729 /nfs/dbraw/zinc/46/57/29/411465729.db2.gz LTEFBKDZAKKARA-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CSc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000660142166 411544432 /nfs/dbraw/zinc/54/44/32/411544432.db2.gz PQOBGECSZAKILX-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000660142166 411544434 /nfs/dbraw/zinc/54/44/34/411544434.db2.gz PQOBGECSZAKILX-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000660142166 411544436 /nfs/dbraw/zinc/54/44/36/411544436.db2.gz PQOBGECSZAKILX-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1F ZINC000660219687 411555584 /nfs/dbraw/zinc/55/55/84/411555584.db2.gz FNFHBRDTNXSYCW-BXKDBHETSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1F ZINC000660219687 411555585 /nfs/dbraw/zinc/55/55/85/411555585.db2.gz FNFHBRDTNXSYCW-BXKDBHETSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccsc3C2)co1 ZINC000660151960 411547411 /nfs/dbraw/zinc/54/74/11/411547411.db2.gz YNILHWMTBRCEEP-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccsc3C2)co1 ZINC000660151960 411547412 /nfs/dbraw/zinc/54/74/12/411547412.db2.gz YNILHWMTBRCEEP-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CCOC(=O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000181770942 170226642 /nfs/dbraw/zinc/22/66/42/170226642.db2.gz OPBBTYZYJJOBDJ-GFCCVEGCSA-N 1 2 249.354 2.505 20 0 BFADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000038067603 170252418 /nfs/dbraw/zinc/25/24/18/170252418.db2.gz CDURRMKSEUKQKS-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000176694616 170255589 /nfs/dbraw/zinc/25/55/89/170255589.db2.gz YXSDWFGITVUQKP-FZMZJTMJSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000309168966 170256393 /nfs/dbraw/zinc/25/63/93/170256393.db2.gz KFTLIESDDHMFRR-LLVKDONJSA-N 1 2 241.718 2.506 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361059311 170267384 /nfs/dbraw/zinc/26/73/84/170267384.db2.gz SKUBLXSLQCGIEM-QWRGUYRKSA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361059311 170267385 /nfs/dbraw/zinc/26/73/85/170267385.db2.gz SKUBLXSLQCGIEM-QWRGUYRKSA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000177477074 170268325 /nfs/dbraw/zinc/26/83/25/170268325.db2.gz CZVYDZHBPJKJDT-UPJWGTAASA-N 1 2 249.354 2.720 20 0 BFADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC ZINC000038067601 170274169 /nfs/dbraw/zinc/27/41/69/170274169.db2.gz CDURRMKSEUKQKS-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000176694630 170277516 /nfs/dbraw/zinc/27/75/16/170277516.db2.gz YXSDWFGITVUQKP-BXUZGUMPSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC(=O)[C@](C)([NH2+]CC(C)C)c1ccccc1 ZINC000037966144 170283414 /nfs/dbraw/zinc/28/34/14/170283414.db2.gz VIHAJDVGTXQZAR-OAHLLOKOSA-N 1 2 249.354 2.711 20 0 BFADLO CCOC1CC(Nc2ccc(C)[nH+]c2C)C1 ZINC000163724160 170330136 /nfs/dbraw/zinc/33/01/36/170330136.db2.gz VRXBYMDTGCNXKW-UHFFFAOYSA-N 1 2 220.316 2.678 20 0 BFADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CC2 ZINC000657693795 411579604 /nfs/dbraw/zinc/57/96/04/411579604.db2.gz PCSHRFFNFUBAPW-LBPRGKRZSA-N 1 2 246.335 2.626 20 0 BFADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cscn1)CC2 ZINC000657692788 411579616 /nfs/dbraw/zinc/57/96/16/411579616.db2.gz DNRWXSGRMAWMIF-ZDUSSCGKSA-N 1 2 246.335 2.626 20 0 BFADLO CSc1cccc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000660423684 411583630 /nfs/dbraw/zinc/58/36/30/411583630.db2.gz UKEJIEDNQOLGNW-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO CSc1cccc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000660423684 411583632 /nfs/dbraw/zinc/58/36/32/411583632.db2.gz UKEJIEDNQOLGNW-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO Cc1nc(C[N@@H+]2CCC=C(c3ccco3)C2)co1 ZINC000660532592 411596801 /nfs/dbraw/zinc/59/68/01/411596801.db2.gz CNAQSJBZBUEABO-UHFFFAOYSA-N 1 2 244.294 2.865 20 0 BFADLO Cc1nc(C[N@H+]2CCC=C(c3ccco3)C2)co1 ZINC000660532592 411596802 /nfs/dbraw/zinc/59/68/02/411596802.db2.gz CNAQSJBZBUEABO-UHFFFAOYSA-N 1 2 244.294 2.865 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccccn1 ZINC000657793307 411598664 /nfs/dbraw/zinc/59/86/64/411598664.db2.gz JSNDPOZPXCHYPR-UHFFFAOYSA-N 1 2 228.286 2.853 20 0 BFADLO Cc1ncc(C[NH2+]CC(F)(F)C(C)(C)C)cn1 ZINC000657794603 411599501 /nfs/dbraw/zinc/59/95/01/411599501.db2.gz XVRWQTHZBZVXGA-UHFFFAOYSA-N 1 2 243.301 2.556 20 0 BFADLO C[C@@H](c1ccc(F)cc1)N1CCn2c[nH+]cc2C1 ZINC000660578134 411602769 /nfs/dbraw/zinc/60/27/69/411602769.db2.gz KFOWQPLCTIMBSJ-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1nccs1 ZINC000657874925 411614881 /nfs/dbraw/zinc/61/48/81/411614881.db2.gz CRSKNVQEYFEILQ-ZJUUUORDSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1nccs1 ZINC000657874924 411614947 /nfs/dbraw/zinc/61/49/47/411614947.db2.gz CRSKNVQEYFEILQ-VHSXEESVSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H](O)C[N@H+](CCCC1CCC1)CC(F)F ZINC000660739699 411620446 /nfs/dbraw/zinc/62/04/46/411620446.db2.gz XSXHRVQTWSMRKQ-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H](O)C[N@@H+](CCCC1CCC1)CC(F)F ZINC000660739699 411620447 /nfs/dbraw/zinc/62/04/47/411620447.db2.gz XSXHRVQTWSMRKQ-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)C(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000660961919 411687462 /nfs/dbraw/zinc/68/74/62/411687462.db2.gz HVVBOVCDYOQMAA-UHFFFAOYSA-N 1 2 245.326 2.955 20 0 BFADLO Cn1cc[nH+]c1CN1CC[C@@H]1c1ccc(F)cc1 ZINC000661505838 411791618 /nfs/dbraw/zinc/79/16/18/411791618.db2.gz BTVHJHPZCGCARG-CYBMUJFWSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC3(CCCC3)CC2)n[nH]1 ZINC000661231913 411736953 /nfs/dbraw/zinc/73/69/53/411736953.db2.gz WWODXNFTGGFDMS-UHFFFAOYSA-N 1 2 248.374 2.659 20 0 BFADLO Cc1nc(C[N@H+]2CCCC3(CCCC3)CC2)n[nH]1 ZINC000661231913 411736954 /nfs/dbraw/zinc/73/69/54/411736954.db2.gz WWODXNFTGGFDMS-UHFFFAOYSA-N 1 2 248.374 2.659 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccon1)CC2 ZINC000661371514 411757536 /nfs/dbraw/zinc/75/75/36/411757536.db2.gz LSYWVIHDTUBMJW-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1ccon1)CC2 ZINC000661371514 411757539 /nfs/dbraw/zinc/75/75/39/411757539.db2.gz LSYWVIHDTUBMJW-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H]2C[C@@H]21 ZINC000663906140 411770660 /nfs/dbraw/zinc/77/06/60/411770660.db2.gz SWKPQTKDVNBLQE-YGRLFVJLSA-N 1 2 239.322 2.806 20 0 BFADLO Cc1nc(C[NH+]2CCC(c3ccco3)CC2)co1 ZINC000661161720 411724518 /nfs/dbraw/zinc/72/45/18/411724518.db2.gz WPYNAIAFEPFWCT-UHFFFAOYSA-N 1 2 246.310 2.956 20 0 BFADLO CCCc1nc(C)c(COc2cc[nH+]cc2)o1 ZINC000664015207 411814854 /nfs/dbraw/zinc/81/48/54/411814854.db2.gz HORDSMIMUGGUJH-UHFFFAOYSA-N 1 2 232.283 2.910 20 0 BFADLO Cc1nc(N2CC[C@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000664290263 411914073 /nfs/dbraw/zinc/91/40/73/411914073.db2.gz FQOHVCRANANFHE-ZDUSSCGKSA-N 1 2 243.285 2.876 20 0 BFADLO CCc1cc(NCCCOC(C)(C)C)nc[nH+]1 ZINC000664360059 411930916 /nfs/dbraw/zinc/93/09/16/411930916.db2.gz VEHOUYQOONSYCF-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC000664385266 411936806 /nfs/dbraw/zinc/93/68/06/411936806.db2.gz GXYALBDNTHNRRU-GMXVVIOVSA-N 1 2 231.343 2.887 20 0 BFADLO c1ccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000664385010 411936958 /nfs/dbraw/zinc/93/69/58/411936958.db2.gz FWQTVKATCZRKTK-WOPDTQHZSA-N 1 2 202.301 2.930 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)no1 ZINC000662044808 411963737 /nfs/dbraw/zinc/96/37/37/411963737.db2.gz QDDMMGZXBNFKDL-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@H](C3CCC3)C2)no1 ZINC000662044808 411963742 /nfs/dbraw/zinc/96/37/42/411963742.db2.gz QDDMMGZXBNFKDL-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO c1ccc(N2CCC[C@@H]([C@@H]3CCCCO3)C2)[nH+]c1 ZINC000664482232 411970733 /nfs/dbraw/zinc/97/07/33/411970733.db2.gz HWKLHBODBJPHSN-KGLIPLIRSA-N 1 2 246.354 2.867 20 0 BFADLO CCc1cc(NCC2=CCCC2)nc[nH+]1 ZINC000664544207 411981518 /nfs/dbraw/zinc/98/15/18/411981518.db2.gz WICHDYWZDSXPMX-UHFFFAOYSA-N 1 2 203.289 2.561 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@@H](C(C)C)C1CC1 ZINC000664546484 411982927 /nfs/dbraw/zinc/98/29/27/411982927.db2.gz PLZSHMWJSQWWSR-NSHDSACASA-N 1 2 235.331 2.640 20 0 BFADLO CCc1cc(NC[C@H](OC)C2CCCC2)nc[nH+]1 ZINC000664557408 411986706 /nfs/dbraw/zinc/98/67/06/411986706.db2.gz BWQWQRVHDRDKBM-ZDUSSCGKSA-N 1 2 249.358 2.656 20 0 BFADLO CC1C[C@H]2CC[C@@H](C1)N2c1cccc[nH+]1 ZINC000664593521 411994170 /nfs/dbraw/zinc/99/41/70/411994170.db2.gz CXZIYKAANSDZEE-YOGCLGLASA-N 1 2 202.301 2.849 20 0 BFADLO CO[C@@]1(C)C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000664601862 411995631 /nfs/dbraw/zinc/99/56/31/411995631.db2.gz FOUZLCFFVBTHJS-SCZZXKLOSA-N 1 2 246.232 2.690 20 0 BFADLO CC1(C)OCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000664603593 411996373 /nfs/dbraw/zinc/99/63/73/411996373.db2.gz KQNYZRNFWPRVGI-LLVKDONJSA-N 1 2 247.342 2.581 20 0 BFADLO CC1(C)CC(Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000664628809 412001818 /nfs/dbraw/zinc/00/18/18/412001818.db2.gz KXDJKADDHRFAPZ-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC(Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000664628809 412001822 /nfs/dbraw/zinc/00/18/22/412001822.db2.gz KXDJKADDHRFAPZ-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC(Nc2cc[nH+]c3ccncc23)C1 ZINC000664628708 412001932 /nfs/dbraw/zinc/00/19/32/412001932.db2.gz JMWHZSVLJICODO-UHFFFAOYSA-N 1 2 227.311 2.652 20 0 BFADLO CCc1cc(NCC[C@]2(C)CC2(F)F)nc[nH+]1 ZINC000664399514 411944172 /nfs/dbraw/zinc/94/41/72/411944172.db2.gz QSODGNJPHFYSBA-LLVKDONJSA-N 1 2 241.285 2.886 20 0 BFADLO Cc1nc(NCC[C@@]2(C)CC2(F)F)cc[nH+]1 ZINC000664399539 411944299 /nfs/dbraw/zinc/94/42/99/411944299.db2.gz RHWHMBQXPQBIKN-JTQLQIEISA-N 1 2 227.258 2.632 20 0 BFADLO Cc1cc(NCC[C@@]2(C)CC2(F)F)nc[nH+]1 ZINC000664400171 411945008 /nfs/dbraw/zinc/94/50/08/411945008.db2.gz VOQPZIZCSLINTI-JTQLQIEISA-N 1 2 227.258 2.632 20 0 BFADLO FCC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000664411925 411945801 /nfs/dbraw/zinc/94/58/01/411945801.db2.gz RIDVCZXWVOLKLZ-NSHDSACASA-N 1 2 208.280 2.658 20 0 BFADLO CC[C@H](Nc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000664436906 411955561 /nfs/dbraw/zinc/95/55/61/411955561.db2.gz JWBYAVYAXVWKSV-NSHDSACASA-N 1 2 232.331 2.651 20 0 BFADLO CC[C@H](Nc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000664436906 411955565 /nfs/dbraw/zinc/95/55/65/411955565.db2.gz JWBYAVYAXVWKSV-NSHDSACASA-N 1 2 232.331 2.651 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@H](C3CCC3)C2)no1 ZINC000662044809 411962707 /nfs/dbraw/zinc/96/27/07/411962707.db2.gz QDDMMGZXBNFKDL-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@H](C3CCC3)C2)no1 ZINC000662044809 411962711 /nfs/dbraw/zinc/96/27/11/411962711.db2.gz QDDMMGZXBNFKDL-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(CCC2CC2)no1 ZINC000664816608 412025561 /nfs/dbraw/zinc/02/55/61/412025561.db2.gz BZRWLVUNTDHFGS-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862143 412033611 /nfs/dbraw/zinc/03/36/11/412033611.db2.gz LKGOTPSRFACUBE-CHWSQXEVSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862143 412033617 /nfs/dbraw/zinc/03/36/17/412033617.db2.gz LKGOTPSRFACUBE-CHWSQXEVSA-N 1 2 247.386 2.984 20 0 BFADLO CC(C)C[C@@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861266 412035207 /nfs/dbraw/zinc/03/52/07/412035207.db2.gz PWIWTBSCTKCMEU-GFCCVEGCSA-N 1 2 235.375 2.840 20 0 BFADLO CC(C)C[C@@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861266 412035209 /nfs/dbraw/zinc/03/52/09/412035209.db2.gz PWIWTBSCTKCMEU-GFCCVEGCSA-N 1 2 235.375 2.840 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C2=CCCC2)n1 ZINC000664980715 412055642 /nfs/dbraw/zinc/05/56/42/412055642.db2.gz PNTHUBXLKHNCDP-UHFFFAOYSA-N 1 2 241.294 2.931 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CC2CCC2)n1 ZINC000664980874 412055984 /nfs/dbraw/zinc/05/59/84/412055984.db2.gz RJMFGWMPOWHIQA-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CC[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000152797709 171014056 /nfs/dbraw/zinc/01/40/56/171014056.db2.gz BQNUMFCIZKSSIU-SNVBAGLBSA-N 1 2 217.316 2.590 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1ncc(CSC)s1 ZINC000353606637 171025072 /nfs/dbraw/zinc/02/50/72/171025072.db2.gz NNCCMDVDQZAHNJ-SECBINFHSA-N 1 2 242.413 2.990 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1ncc(CSC)s1 ZINC000353606637 171025074 /nfs/dbraw/zinc/02/50/74/171025074.db2.gz NNCCMDVDQZAHNJ-SECBINFHSA-N 1 2 242.413 2.990 20 0 BFADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000301900408 171097828 /nfs/dbraw/zinc/09/78/28/171097828.db2.gz ZCFSYZYGNLBJEB-GHMZBOCLSA-N 1 2 245.326 2.567 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335582679 171131890 /nfs/dbraw/zinc/13/18/90/171131890.db2.gz SFUAADZXMRRTAA-GHMZBOCLSA-N 1 2 218.300 2.683 20 0 BFADLO CC[C@@H]1[C@@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000274668362 171158417 /nfs/dbraw/zinc/15/84/17/171158417.db2.gz GVRQZZSQDVKFCH-CMPLNLGQSA-N 1 2 231.343 2.979 20 0 BFADLO CC[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097214050 171254436 /nfs/dbraw/zinc/25/44/36/171254436.db2.gz ZVQMYFFPPYTWSE-QMMMGPOBSA-N 1 2 220.316 2.991 20 0 BFADLO CC[C@H](C)CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283114034 171261876 /nfs/dbraw/zinc/26/18/76/171261876.db2.gz VVCNESPKYIXOQW-JQWIXIFHSA-N 1 2 237.347 2.659 20 0 BFADLO CC[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000191633293 171263152 /nfs/dbraw/zinc/26/31/52/171263152.db2.gz PXEKLNQFXKJZBI-VIFPVBQESA-N 1 2 206.289 2.765 20 0 BFADLO CC[C@H](C)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000301830423 171275674 /nfs/dbraw/zinc/27/56/74/171275674.db2.gz PQRUAQTZIWNTOK-NSHDSACASA-N 1 2 248.374 2.781 20 0 BFADLO CC[C@H](C)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000301830423 171275677 /nfs/dbraw/zinc/27/56/77/171275677.db2.gz PQRUAQTZIWNTOK-NSHDSACASA-N 1 2 248.374 2.781 20 0 BFADLO CC[C@H](C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364837696 171286570 /nfs/dbraw/zinc/28/65/70/171286570.db2.gz HGHSWCMSAICPNO-AAEUAGOBSA-N 1 2 244.342 2.530 20 0 BFADLO CC[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287612626 171330434 /nfs/dbraw/zinc/33/04/34/171330434.db2.gz SVWULGUTWHBOSG-VIFPVBQESA-N 1 2 221.304 2.618 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000272423743 171360572 /nfs/dbraw/zinc/36/05/72/171360572.db2.gz NVTPYPGWTKPAQW-WDEREUQCSA-N 1 2 245.326 2.955 20 0 BFADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121451085 171362612 /nfs/dbraw/zinc/36/26/12/171362612.db2.gz YVDZXGQOPRARHV-GXSJLCMTSA-N 1 2 235.331 2.946 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000272423741 171385242 /nfs/dbraw/zinc/38/52/42/171385242.db2.gz NVTPYPGWTKPAQW-QWRGUYRKSA-N 1 2 245.326 2.955 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CC3(CC3)C2)c1 ZINC000335383235 487622571 /nfs/dbraw/zinc/62/25/71/487622571.db2.gz RVBAYBMLZOFALH-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO Cc1sc(Cn2cc[nH+]c2)nc1C1CC1 ZINC000663219770 412394963 /nfs/dbraw/zinc/39/49/63/412394963.db2.gz KKKXMLXUBVDOSD-UHFFFAOYSA-N 1 2 219.313 2.574 20 0 BFADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)[nH]1 ZINC000271411406 172007356 /nfs/dbraw/zinc/00/73/56/172007356.db2.gz ARNQZCQABZWICF-UWVGGRQHSA-N 1 2 248.330 2.680 20 0 BFADLO CCc1ncsc1C(=O)Nc1cc[nH+]cc1C ZINC000119887912 172035154 /nfs/dbraw/zinc/03/51/54/172035154.db2.gz YOOGRIQTKXTVKS-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO CCc1nnc(C[NH2+][C@H](CC)c2ccccc2)o1 ZINC000341222205 172054097 /nfs/dbraw/zinc/05/40/97/172054097.db2.gz RGUCNBWCDUABAS-GFCCVEGCSA-N 1 2 245.326 2.873 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000111191812 172063275 /nfs/dbraw/zinc/06/32/75/172063275.db2.gz CBFDEEFTHAIVJG-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000111191812 172063277 /nfs/dbraw/zinc/06/32/77/172063277.db2.gz CBFDEEFTHAIVJG-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccc(C)cn1 ZINC000339606924 172094864 /nfs/dbraw/zinc/09/48/64/172094864.db2.gz HCSVQKOPBXJJDC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000339606924 172094865 /nfs/dbraw/zinc/09/48/65/172094865.db2.gz HCSVQKOPBXJJDC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000293533671 172095628 /nfs/dbraw/zinc/09/56/28/172095628.db2.gz XFYXWVQAFUWGKY-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000293533671 172095630 /nfs/dbraw/zinc/09/56/30/172095630.db2.gz XFYXWVQAFUWGKY-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000336627909 172097632 /nfs/dbraw/zinc/09/76/32/172097632.db2.gz JMTDTSDZVLIIGT-LLVKDONJSA-N 1 2 245.326 2.615 20 0 BFADLO CCc1nocc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000336627909 172097635 /nfs/dbraw/zinc/09/76/35/172097635.db2.gz JMTDTSDZVLIIGT-LLVKDONJSA-N 1 2 245.326 2.615 20 0 BFADLO CCn1cc([C@H](C)Nc2ccc(C)[nH+]c2)cn1 ZINC000154262327 172199033 /nfs/dbraw/zinc/19/90/33/172199033.db2.gz NHJYZNMKFGPZBJ-NSHDSACASA-N 1 2 230.315 2.780 20 0 BFADLO CCn1cccc1CNc1ccc[nH+]c1C ZINC000085711923 172211051 /nfs/dbraw/zinc/21/10/51/172211051.db2.gz HKDJVCYHGICWDE-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)cc1 ZINC000051920884 172224885 /nfs/dbraw/zinc/22/48/85/172224885.db2.gz ZWJMACZXPQQGFI-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc2c(c1)COC2 ZINC000302464533 172232818 /nfs/dbraw/zinc/23/28/18/172232818.db2.gz XHRNNNIXLNJTAM-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO CN(CC[C@@H]1CCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000302719413 172776698 /nfs/dbraw/zinc/77/66/98/172776698.db2.gz OJWIZWUOHZCDJY-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO COC(=O)C(C)(C)[N@H+](C)C/C=C/c1ccccc1 ZINC000353134079 173504591 /nfs/dbraw/zinc/50/45/91/173504591.db2.gz GIGRRVSTVCPKLU-DHZHZOJOSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)C(C)(C)[N@@H+](C)C/C=C/c1ccccc1 ZINC000353134079 173504592 /nfs/dbraw/zinc/50/45/92/173504592.db2.gz GIGRRVSTVCPKLU-DHZHZOJOSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000354545395 173786703 /nfs/dbraw/zinc/78/67/03/173786703.db2.gz NWPJYADZENAWCN-NEPJUHHUSA-N 1 2 235.327 2.516 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000252115919 173806800 /nfs/dbraw/zinc/80/68/00/173806800.db2.gz INHVTQNWWZHFEE-KWCYVHTRSA-N 1 2 247.338 2.679 20 0 BFADLO COC1(CNc2cc(C)[nH+]cn2)CCCCC1 ZINC000302456246 174005389 /nfs/dbraw/zinc/00/53/89/174005389.db2.gz UNTJTGFMKMBTFL-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO COC1(CNc2cc[nH+]c(C(C)C)n2)CCC1 ZINC000302024055 174005970 /nfs/dbraw/zinc/00/59/70/174005970.db2.gz JTMQZCADAVMRDX-UHFFFAOYSA-N 1 2 235.331 2.581 20 0 BFADLO COC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC000185820220 174006600 /nfs/dbraw/zinc/00/66/00/174006600.db2.gz QCGYZGOTCYIPIJ-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO COC1CN(c2cc(C(C)C)[nH+]c(C(C)C)n2)C1 ZINC000341277978 174036392 /nfs/dbraw/zinc/03/63/92/174036392.db2.gz ISRGCDIAUOFDLA-UHFFFAOYSA-N 1 2 249.358 2.558 20 0 BFADLO COCCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000044349055 174203754 /nfs/dbraw/zinc/20/37/54/174203754.db2.gz GOZRHSKCZOKYPS-UHFFFAOYSA-N 1 2 237.347 2.747 20 0 BFADLO COCCCNc1[nH+]c2ccccc2cc1C ZINC000063105680 174252325 /nfs/dbraw/zinc/25/23/25/174252325.db2.gz BAALTMHQPHMGFE-UHFFFAOYSA-N 1 2 230.311 2.992 20 0 BFADLO COCCC[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000182910183 174261148 /nfs/dbraw/zinc/26/11/48/174261148.db2.gz SYFCFALHDUJSME-LLVKDONJSA-N 1 2 208.305 2.617 20 0 BFADLO COCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000122871678 174282999 /nfs/dbraw/zinc/28/29/99/174282999.db2.gz ZQLMWZQFNVJQGB-VIFPVBQESA-N 1 2 229.270 2.604 20 0 BFADLO COCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000122871678 174283001 /nfs/dbraw/zinc/28/30/01/174283001.db2.gz ZQLMWZQFNVJQGB-VIFPVBQESA-N 1 2 229.270 2.604 20 0 BFADLO COCCN(C)c1cc(C)c2ccccc2[nH+]1 ZINC000072134951 174284218 /nfs/dbraw/zinc/28/42/18/174284218.db2.gz ZSMRZNWVRSFAOD-UHFFFAOYSA-N 1 2 230.311 2.626 20 0 BFADLO COCC[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000360797008 174387423 /nfs/dbraw/zinc/38/74/23/174387423.db2.gz AOIRHDJQIKNTHZ-LLVKDONJSA-N 1 2 234.343 2.797 20 0 BFADLO COc1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000043195209 175003099 /nfs/dbraw/zinc/00/30/99/175003099.db2.gz QUNSZAMGHZWNNY-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO COc1cc(NCc2c[nH+]cn2C)c(C)cc1C ZINC000280159152 175003146 /nfs/dbraw/zinc/00/31/46/175003146.db2.gz FECXBGVBNXHPEK-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054764371 175079030 /nfs/dbraw/zinc/07/90/30/175079030.db2.gz MIRFTLIQCXXQSN-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(N[C@@H]2CCn3cc[nH+]c32)c(C)c1 ZINC000294126871 175154920 /nfs/dbraw/zinc/15/49/20/175154920.db2.gz OHHNAMIJNZRSHZ-CYBMUJFWSA-N 1 2 243.310 2.757 20 0 BFADLO COc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000019777116 175172446 /nfs/dbraw/zinc/17/24/46/175172446.db2.gz LMTYGUGNGRSWNG-UHFFFAOYSA-N 1 2 244.294 2.581 20 0 BFADLO COc1ccc(SCCn2cc[nH+]c2)cc1 ZINC000121866233 175175379 /nfs/dbraw/zinc/17/53/79/175175379.db2.gz UDHPYPSALZOOJF-UHFFFAOYSA-N 1 2 234.324 2.684 20 0 BFADLO COc1cccc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107289968 175246177 /nfs/dbraw/zinc/24/61/77/175246177.db2.gz PJBMBMUBFNDODS-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO COc1cccc(Nc2cccc[nH+]2)c1 ZINC000039269694 175280976 /nfs/dbraw/zinc/28/09/76/175280976.db2.gz KHLMIOVBJWUDRH-UHFFFAOYSA-N 1 2 200.241 2.834 20 0 BFADLO COc1ccncc1C[NH2+][C@H](C)c1ccco1 ZINC000287931472 175374078 /nfs/dbraw/zinc/37/40/78/175374078.db2.gz WVIGMYQWUKROJF-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1cc[nH+]cc1CSCCCF ZINC000289429609 175374225 /nfs/dbraw/zinc/37/42/25/175374225.db2.gz QXTSKVYUJNDWQY-UHFFFAOYSA-N 1 2 215.293 2.683 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000126580735 175374952 /nfs/dbraw/zinc/37/49/52/175374952.db2.gz ONSKIUZPRMHZAH-MNOVXSKESA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000336238166 175375005 /nfs/dbraw/zinc/37/50/05/175375005.db2.gz ZFOUWPPNBQYPAH-YGRLFVJLSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC1=CCCCC1 ZINC000106640137 175375195 /nfs/dbraw/zinc/37/51/95/175375195.db2.gz RDTVQQDFVUWGJJ-UHFFFAOYSA-N 1 2 246.310 2.919 20 0 BFADLO COc1cc[nH+]cc1NCc1occc1C ZINC000119140465 175375985 /nfs/dbraw/zinc/37/59/85/175375985.db2.gz CMAYLKQOKGTESX-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)C(C)(C)C ZINC000266019626 175621476 /nfs/dbraw/zinc/62/14/76/175621476.db2.gz CENCGJLZOAZJSO-JTQLQIEISA-N 1 2 245.326 2.955 20 0 BFADLO C[C@@H]([NH2+]Cc1ccno1)c1cccc(F)c1F ZINC000223943894 175904303 /nfs/dbraw/zinc/90/43/03/175904303.db2.gz WOONAVZVEQCGTN-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccon1 ZINC000077285065 176019449 /nfs/dbraw/zinc/01/94/49/176019449.db2.gz JGBZEWYXLKRAOT-JTQLQIEISA-N 1 2 232.283 2.573 20 0 BFADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccon1 ZINC000077285065 176019450 /nfs/dbraw/zinc/01/94/50/176019450.db2.gz JGBZEWYXLKRAOT-JTQLQIEISA-N 1 2 232.283 2.573 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1CCC=C(F)C1 ZINC000272395611 176028769 /nfs/dbraw/zinc/02/87/69/176028769.db2.gz DGRCMOZKXBQYQW-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1CCC=C(F)C1 ZINC000272395611 176028770 /nfs/dbraw/zinc/02/87/70/176028770.db2.gz DGRCMOZKXBQYQW-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1ccn(C)n1 ZINC000270833126 176032919 /nfs/dbraw/zinc/03/29/19/176032919.db2.gz UAOPEJBNPVGUEU-JTQLQIEISA-N 1 2 235.356 2.675 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccn(C)n1 ZINC000270833126 176032921 /nfs/dbraw/zinc/03/29/21/176032921.db2.gz UAOPEJBNPVGUEU-JTQLQIEISA-N 1 2 235.356 2.675 20 0 BFADLO C[C@@H](c1cnccn1)[N@H+](C)Cc1ccccc1F ZINC000184395954 176035319 /nfs/dbraw/zinc/03/53/19/176035319.db2.gz RCOBBHNJJRKINW-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1cnccn1)[N@@H+](C)Cc1ccccc1F ZINC000184395954 176035322 /nfs/dbraw/zinc/03/53/22/176035322.db2.gz RCOBBHNJJRKINW-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336254030 176036930 /nfs/dbraw/zinc/03/69/30/176036930.db2.gz IVRPUHZKMYLMQL-SFYZADRCSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336254030 176036933 /nfs/dbraw/zinc/03/69/33/176036933.db2.gz IVRPUHZKMYLMQL-SFYZADRCSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)C(C)(C)C ZINC000357954650 176037954 /nfs/dbraw/zinc/03/79/54/176037954.db2.gz VUFCCCGQPMWSPY-VIFPVBQESA-N 1 2 248.330 2.544 20 0 BFADLO C[C@@H]1CC(Nc2cc[nH+]c(C3CC3)n2)C[C@@H](C)O1 ZINC000162265776 176055461 /nfs/dbraw/zinc/05/54/61/176055461.db2.gz VHGMCOFPSKXHCM-NXEZZACHSA-N 1 2 247.342 2.722 20 0 BFADLO C[C@@H]1CCCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335121594 176064049 /nfs/dbraw/zinc/06/40/49/176064049.db2.gz LHMATBHUTSRANE-MRVPVSSYSA-N 1 2 245.273 2.772 20 0 BFADLO C[C@@H]1CCCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000335121594 176064051 /nfs/dbraw/zinc/06/40/51/176064051.db2.gz LHMATBHUTSRANE-MRVPVSSYSA-N 1 2 245.273 2.772 20 0 BFADLO C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000049474073 176103923 /nfs/dbraw/zinc/10/39/23/176103923.db2.gz XUAVNAVJNFCMTA-SNVBAGLBSA-N 1 2 215.300 2.799 20 0 BFADLO C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000237580192 176115955 /nfs/dbraw/zinc/11/59/55/176115955.db2.gz FJJVONUZIFNVBT-GHMZBOCLSA-N 1 2 247.342 2.819 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110542733 176132630 /nfs/dbraw/zinc/13/26/30/176132630.db2.gz LIUOTBMIPGGFDE-KOLCDFICSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301870956 176151172 /nfs/dbraw/zinc/15/11/72/176151172.db2.gz IRAZNHVQXRGKFO-MWLCHTKSSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c[nH]cn2)[C@H](c2ccco2)C1 ZINC000093811897 176173963 /nfs/dbraw/zinc/17/39/63/176173963.db2.gz LEGSZSCBWDNKPK-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c[nH]cn2)[C@H](c2ccco2)C1 ZINC000093811897 176173964 /nfs/dbraw/zinc/17/39/64/176173964.db2.gz LEGSZSCBWDNKPK-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc[nH]2)[C@H](c2ccco2)C1 ZINC000093811897 176173965 /nfs/dbraw/zinc/17/39/65/176173965.db2.gz LEGSZSCBWDNKPK-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc[nH]2)[C@H](c2ccco2)C1 ZINC000093811897 176173966 /nfs/dbraw/zinc/17/39/66/176173966.db2.gz LEGSZSCBWDNKPK-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)[C@@H]1C ZINC000270543722 176182613 /nfs/dbraw/zinc/18/26/13/176182613.db2.gz CYDSNJRVVYUDJW-GHMZBOCLSA-N 1 2 229.327 2.808 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000302521329 176214698 /nfs/dbraw/zinc/21/46/98/176214698.db2.gz IWNFJSNXRLTWCN-NXEZZACHSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157685 176225585 /nfs/dbraw/zinc/22/55/85/176225585.db2.gz SQKMVSBJXWBVOH-ZYHUDNBSSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157685 176225588 /nfs/dbraw/zinc/22/55/88/176225588.db2.gz SQKMVSBJXWBVOH-ZYHUDNBSSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@@H]1C[N@H+](CCc2ccccc2Cl)CCO1 ZINC000194961098 176294616 /nfs/dbraw/zinc/29/46/16/176294616.db2.gz LNNAMCNVQKWHTI-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC000194961098 176294618 /nfs/dbraw/zinc/29/46/18/176294618.db2.gz LNNAMCNVQKWHTI-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000245720217 176301490 /nfs/dbraw/zinc/30/14/90/176301490.db2.gz HTQXQZZESFLWNE-BXUZGUMPSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000245720217 176301492 /nfs/dbraw/zinc/30/14/92/176301492.db2.gz HTQXQZZESFLWNE-BXUZGUMPSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CCS1 ZINC000128353852 176306156 /nfs/dbraw/zinc/30/61/56/176306156.db2.gz GSJRGLOHGXUIID-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CCS1 ZINC000128353852 176306158 /nfs/dbraw/zinc/30/61/58/176306158.db2.gz GSJRGLOHGXUIID-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCC1=O ZINC000049693476 176307942 /nfs/dbraw/zinc/30/79/42/176307942.db2.gz YJYNEMMMWXWLHF-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCC1=O ZINC000049693476 176307944 /nfs/dbraw/zinc/30/79/44/176307944.db2.gz YJYNEMMMWXWLHF-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)CCS1 ZINC000079320513 176308855 /nfs/dbraw/zinc/30/88/55/176308855.db2.gz NOOCDHJZYBHANM-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)CCS1 ZINC000079320513 176308856 /nfs/dbraw/zinc/30/88/56/176308856.db2.gz NOOCDHJZYBHANM-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000191949087 176309910 /nfs/dbraw/zinc/30/99/10/176309910.db2.gz HYZRXKSCGYPXBP-RISCZKNCSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000191949087 176309912 /nfs/dbraw/zinc/30/99/12/176309912.db2.gz HYZRXKSCGYPXBP-RISCZKNCSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnns2)[C@@H]1c1ccccc1 ZINC000290106446 176311240 /nfs/dbraw/zinc/31/12/40/176311240.db2.gz SKFWSVYKQGQIKT-MFKMUULPSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnns2)[C@@H]1c1ccccc1 ZINC000290106446 176311243 /nfs/dbraw/zinc/31/12/43/176311243.db2.gz SKFWSVYKQGQIKT-MFKMUULPSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nccs2)CCC1(F)F ZINC000289757730 176311868 /nfs/dbraw/zinc/31/18/68/176311868.db2.gz KNIWUUMAOVUWAH-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nccs2)CCC1(F)F ZINC000289757730 176311869 /nfs/dbraw/zinc/31/18/69/176311869.db2.gz KNIWUUMAOVUWAH-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1C ZINC000270558746 176320585 /nfs/dbraw/zinc/32/05/85/176320585.db2.gz IUZQSNFPPZNTIO-GHMZBOCLSA-N 1 2 229.327 2.666 20 0 BFADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)CCS1 ZINC000270596530 176321007 /nfs/dbraw/zinc/32/10/07/176321007.db2.gz UQJAUDCXFWXMRL-SNVBAGLBSA-N 1 2 247.367 2.515 20 0 BFADLO C[C@@H]1CSCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000277413889 176349967 /nfs/dbraw/zinc/34/99/67/176349967.db2.gz LYWRZNDTLNZHRW-JTQLQIEISA-N 1 2 247.367 2.752 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ncc(C(C)(C)C)o1 ZINC000336622735 176363686 /nfs/dbraw/zinc/36/36/86/176363686.db2.gz GMFPCSMTNJTCBC-NXEZZACHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@@H](CCNc2cccc[nH+]2)CCO1 ZINC000273180750 176368120 /nfs/dbraw/zinc/36/81/20/176368120.db2.gz PZAWBRFJSDYXRR-NEPJUHHUSA-N 1 2 220.316 2.699 20 0 BFADLO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccon1 ZINC000309614169 176880821 /nfs/dbraw/zinc/88/08/21/176880821.db2.gz NJLFJVYJZOZPTA-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)cc1F ZINC000049714954 176883364 /nfs/dbraw/zinc/88/33/64/176883364.db2.gz KAACRZIPTWTXLC-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)C1CC1 ZINC000280961566 177029948 /nfs/dbraw/zinc/02/99/48/177029948.db2.gz KCEABGKSQRRSLW-VIFPVBQESA-N 1 2 246.335 2.794 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccn(C)n1 ZINC000270771346 177033813 /nfs/dbraw/zinc/03/38/13/177033813.db2.gz HUNCIZQAIQJXAG-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccn(C)n1 ZINC000270771346 177033815 /nfs/dbraw/zinc/03/38/15/177033815.db2.gz HUNCIZQAIQJXAG-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccn(C)n1 ZINC000336729742 177041115 /nfs/dbraw/zinc/04/11/15/177041115.db2.gz PALCEMIECQNHTD-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccn(C)n1 ZINC000336729742 177041118 /nfs/dbraw/zinc/04/11/18/177041118.db2.gz PALCEMIECQNHTD-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cnccn1 ZINC000080966954 177041210 /nfs/dbraw/zinc/04/12/10/177041210.db2.gz QRPGZZPRZZCPQA-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cnccn1 ZINC000080966954 177041212 /nfs/dbraw/zinc/04/12/12/177041212.db2.gz QRPGZZPRZZCPQA-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cnns1)C1CC1 ZINC000336683777 177048492 /nfs/dbraw/zinc/04/84/92/177048492.db2.gz FJYALRSXFCESTB-SECBINFHSA-N 1 2 249.339 2.857 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cnns1)C1CC1 ZINC000336683777 177048493 /nfs/dbraw/zinc/04/84/93/177048493.db2.gz FJYALRSXFCESTB-SECBINFHSA-N 1 2 249.339 2.857 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1ccon1)C1CC1 ZINC000086235679 177049298 /nfs/dbraw/zinc/04/92/98/177049298.db2.gz VZXIZWOPQCRFNM-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1ccon1)C1CC1 ZINC000086235679 177049300 /nfs/dbraw/zinc/04/93/00/177049300.db2.gz VZXIZWOPQCRFNM-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H]1CCC[C@@H]1[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336919163 177124336 /nfs/dbraw/zinc/12/43/36/177124336.db2.gz FBLJFFBDGUZMDO-ONGXEEELSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H](F)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000352403720 177161310 /nfs/dbraw/zinc/16/13/10/177161310.db2.gz XCLDLLWRNBCNFJ-DTWKUNHWSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@@H](F)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000352403720 177161311 /nfs/dbraw/zinc/16/13/11/177161311.db2.gz XCLDLLWRNBCNFJ-DTWKUNHWSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000302733968 177171970 /nfs/dbraw/zinc/17/19/70/177171970.db2.gz NXRLGSSQALFNDH-JTQLQIEISA-N 1 2 249.383 2.686 20 0 BFADLO C[C@H]1CC[C@@H]([NH+]=c2[nH]c3c(cccc3F)n2C)C1 ZINC000355680678 177192690 /nfs/dbraw/zinc/19/26/90/177192690.db2.gz YKATULIWZWPGPK-VHSXEESVSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CC[C@H]([NH+]=c2[nH]c3cccc(F)c3n2C)C1 ZINC000336927646 177204049 /nfs/dbraw/zinc/20/40/49/177204049.db2.gz MYDPFMJMAUZSCR-UWVGGRQHSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1C[N@H+](CCc2cccc(Cl)c2)CCO1 ZINC000297279937 177254940 /nfs/dbraw/zinc/25/49/40/177254940.db2.gz AAXJMFYLHUIWGL-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CCO1 ZINC000297279937 177254941 /nfs/dbraw/zinc/25/49/41/177254941.db2.gz AAXJMFYLHUIWGL-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000227855888 177275487 /nfs/dbraw/zinc/27/54/87/177275487.db2.gz NVGAAXDDHBGDSZ-WDEREUQCSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000227855888 177275488 /nfs/dbraw/zinc/27/54/88/177275488.db2.gz NVGAAXDDHBGDSZ-WDEREUQCSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@H]1CSCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000277413891 177304325 /nfs/dbraw/zinc/30/43/25/177304325.db2.gz LYWRZNDTLNZHRW-SNVBAGLBSA-N 1 2 247.367 2.752 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000069760903 177305535 /nfs/dbraw/zinc/30/55/35/177305535.db2.gz IWEHRVOVSFUFON-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000069760903 177305537 /nfs/dbraw/zinc/30/55/37/177305537.db2.gz IWEHRVOVSFUFON-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000336622734 177319705 /nfs/dbraw/zinc/31/97/05/177319705.db2.gz GMFPCSMTNJTCBC-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000336622734 177319706 /nfs/dbraw/zinc/31/97/06/177319706.db2.gz GMFPCSMTNJTCBC-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CCSCC2)c1 ZINC000051914767 322932360 /nfs/dbraw/zinc/93/23/60/322932360.db2.gz MXWREJCZXUDBDO-UHFFFAOYSA-N 1 2 229.295 2.514 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000155980366 177399497 /nfs/dbraw/zinc/39/94/97/177399497.db2.gz HJTPNQXBYXVGMO-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC000155980366 177399499 /nfs/dbraw/zinc/39/94/99/177399499.db2.gz HJTPNQXBYXVGMO-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1COCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000683353212 487642327 /nfs/dbraw/zinc/64/23/27/487642327.db2.gz DDIQMVJLNBWCHJ-QWRGUYRKSA-N 1 2 249.358 2.611 20 0 BFADLO Cc1ccc(NC/C=C/c2ccncc2)c[nH+]1 ZINC000487325447 225298933 /nfs/dbraw/zinc/29/89/33/225298933.db2.gz VOMXLMHVIAWWGJ-NSCUHMNNSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1[nH+]cccc1NC/C=C\c1ccncc1 ZINC000487559393 225312136 /nfs/dbraw/zinc/31/21/36/225312136.db2.gz LCGLBSJUUBQIHP-RQOWECAXSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1cc[nH+]cc1NC/C=C\c1ccncc1 ZINC000487555388 225313239 /nfs/dbraw/zinc/31/32/39/225313239.db2.gz GGOSIFCYXSGGBH-IHWYPQMZSA-N 1 2 225.295 2.910 20 0 BFADLO O=C(/C=C\c1[nH]cc[nH+]1)N1CCCCCCCC1 ZINC000493163409 226142862 /nfs/dbraw/zinc/14/28/62/226142862.db2.gz VONLWNMEPKXPCU-FPLPWBNLSA-N 1 2 247.342 2.606 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)/C=C\C(C)(C)C)c2[nH+]ccn21 ZINC000493449778 226219487 /nfs/dbraw/zinc/21/94/87/226219487.db2.gz HMNFJSXMNRSNBF-ADRPCIBZSA-N 1 2 247.342 2.607 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000228482459 487656763 /nfs/dbraw/zinc/65/67/63/487656763.db2.gz SEZKGEJOOWILLE-RKDXNWHRSA-N 1 2 229.270 2.999 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2occc21)C(F)F ZINC000228486537 487657867 /nfs/dbraw/zinc/65/78/67/487657867.db2.gz PXHMQPBYVQEVAU-CBAPKCEASA-N 1 2 215.243 2.900 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(=O)OC ZINC000182922060 487665136 /nfs/dbraw/zinc/66/51/36/487665136.db2.gz RSVUCNRHYQQMFW-GXTWGEPZSA-N 1 2 249.354 2.906 20 0 BFADLO CCOc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000228504779 487667378 /nfs/dbraw/zinc/66/73/78/487667378.db2.gz VTKJRWCQSYEGEL-VIFPVBQESA-N 1 2 229.270 2.829 20 0 BFADLO COc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228516072 487669839 /nfs/dbraw/zinc/66/98/39/487669839.db2.gz FDIUTHOVLXLHMH-IUCAKERBSA-N 1 2 229.270 2.999 20 0 BFADLO Cc1nocc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424191440 229159569 /nfs/dbraw/zinc/15/95/69/229159569.db2.gz HMAYGWBVNZIYKA-KGLIPLIRSA-N 1 2 246.285 2.710 20 0 BFADLO COc1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000665739709 487672336 /nfs/dbraw/zinc/67/23/36/487672336.db2.gz AMXNDKSDYXDUOB-USWWRNFRSA-N 1 2 218.300 2.691 20 0 BFADLO Cc1cc(NCC(C)(C)[C@@H]2CCCCO2)nc[nH+]1 ZINC000675154401 487675832 /nfs/dbraw/zinc/67/58/32/487675832.db2.gz HEVLXZXHPYVWNF-LBPRGKRZSA-N 1 2 249.358 2.792 20 0 BFADLO CCc1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC000665739863 487677630 /nfs/dbraw/zinc/67/76/30/487677630.db2.gz DDUNLZSFKBVVPC-USWWRNFRSA-N 1 2 217.316 2.640 20 0 BFADLO CC/C=C/CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681020903 487696982 /nfs/dbraw/zinc/69/69/82/487696982.db2.gz MCZIKBDRBVUHEQ-HMDXOVGESA-N 1 2 237.265 2.606 20 0 BFADLO CC/C=C/CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681020903 487696985 /nfs/dbraw/zinc/69/69/85/487696985.db2.gz MCZIKBDRBVUHEQ-HMDXOVGESA-N 1 2 237.265 2.606 20 0 BFADLO CC/C=C/CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681020901 487697739 /nfs/dbraw/zinc/69/77/39/487697739.db2.gz MCZIKBDRBVUHEQ-FSIBCCDJSA-N 1 2 237.265 2.606 20 0 BFADLO CC/C=C/CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681020901 487697744 /nfs/dbraw/zinc/69/77/44/487697744.db2.gz MCZIKBDRBVUHEQ-FSIBCCDJSA-N 1 2 237.265 2.606 20 0 BFADLO COc1ccc[nH+]c1N1CCc2sccc2C1 ZINC000527833435 262888058 /nfs/dbraw/zinc/88/80/58/262888058.db2.gz CNICWHVFKWBQBJ-UHFFFAOYSA-N 1 2 246.335 2.714 20 0 BFADLO C/C(Cl)=C/C[NH2+][C@H](C)c1nnc(C)s1 ZINC000528450880 262949054 /nfs/dbraw/zinc/94/90/54/262949054.db2.gz QUMBMQATEGTPFF-FXXDRWHHSA-N 1 2 231.752 2.640 20 0 BFADLO CC(C)=CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714129 487704278 /nfs/dbraw/zinc/70/42/78/487704278.db2.gz NHLGUABIGOVYHK-ZJUUUORDSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671714129 487704283 /nfs/dbraw/zinc/70/42/83/487704283.db2.gz NHLGUABIGOVYHK-ZJUUUORDSA-N 1 2 237.265 2.604 20 0 BFADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000665708935 487735693 /nfs/dbraw/zinc/73/56/93/487735693.db2.gz HSSOVWMHELVFHF-SECBINFHSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000665708935 487735701 /nfs/dbraw/zinc/73/57/01/487735701.db2.gz HSSOVWMHELVFHF-SECBINFHSA-N 1 2 232.331 2.651 20 0 BFADLO Cc1nc(N2C3CCC2CC3)c(C)c(C)[nH+]1 ZINC000675548524 487746872 /nfs/dbraw/zinc/74/68/72/487746872.db2.gz QWJGQLMOYFOHCX-UHFFFAOYSA-N 1 2 217.316 2.533 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]cc3c2CCCC3)CCO1 ZINC000668440950 487759336 /nfs/dbraw/zinc/75/93/36/487759336.db2.gz ROKLRTHUPQXHQP-YPMHNXCESA-N 1 2 246.354 2.940 20 0 BFADLO C[C@H](Nc1c[nH+]cc2c1CCCC2)[C@H]1CCOC1 ZINC000668441597 487760120 /nfs/dbraw/zinc/76/01/20/487760120.db2.gz VPHOYGZYKCEPPJ-AAEUAGOBSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1F ZINC000679193313 487776747 /nfs/dbraw/zinc/77/67/47/487776747.db2.gz UHNGDFXJPBOORF-KOLCDFICSA-N 1 2 235.306 2.538 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC12CCC2 ZINC000309874980 487779798 /nfs/dbraw/zinc/77/97/98/487779798.db2.gz SGXKKUGJRULOKK-NSHDSACASA-N 1 2 218.300 2.835 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C[C@@H]1F ZINC000679219385 487782722 /nfs/dbraw/zinc/78/27/22/487782722.db2.gz CPYUAAYULWIUIU-YPMHNXCESA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C[C@@H]1F ZINC000679219385 487782728 /nfs/dbraw/zinc/78/27/28/487782728.db2.gz CPYUAAYULWIUIU-YPMHNXCESA-N 1 2 247.317 2.514 20 0 BFADLO Cc1cncc(N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000681563746 487816380 /nfs/dbraw/zinc/81/63/80/487816380.db2.gz ZOVURSSZJXZDOS-ZDUSSCGKSA-N 1 2 242.326 2.687 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1C ZINC000678276091 487817393 /nfs/dbraw/zinc/81/73/93/487817393.db2.gz VWBFZXOJDVGROE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1C ZINC000678276091 487817400 /nfs/dbraw/zinc/81/74/00/487817400.db2.gz VWBFZXOJDVGROE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1C ZINC000678276091 487817405 /nfs/dbraw/zinc/81/74/05/487817405.db2.gz VWBFZXOJDVGROE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1C ZINC000678276091 487817410 /nfs/dbraw/zinc/81/74/10/487817410.db2.gz VWBFZXOJDVGROE-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Fc1cccc(C[NH+]2CC(C(F)F)C2)c1F ZINC000676222448 487823207 /nfs/dbraw/zinc/82/32/07/487823207.db2.gz NRSMVPCXIRHHMQ-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO CO[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CC[C@H]1C ZINC000784363442 585857257 /nfs/dbraw/zinc/85/72/57/585857257.db2.gz CFGHZXZJAIZUSW-ZOGXEDGJSA-N 1 2 238.158 2.662 20 0 BFADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CC[C@H]1C ZINC000784363442 585857258 /nfs/dbraw/zinc/85/72/58/585857258.db2.gz CFGHZXZJAIZUSW-ZOGXEDGJSA-N 1 2 238.158 2.662 20 0 BFADLO CC1(C)CCCC2=C1N1CC[NH+]=C1S2 ZINC000841492651 587956947 /nfs/dbraw/zinc/95/69/47/587956947.db2.gz YBAKJNBEYDUDQA-UHFFFAOYSA-N 1 2 208.330 2.827 20 0 BFADLO COc1ccc([C@@H](C)[N@H+](C)Cc2ccon2)cc1 ZINC000077250186 487846067 /nfs/dbraw/zinc/84/60/67/487846067.db2.gz FJWCYBOFYAVFKI-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccon2)cc1 ZINC000077250186 487846071 /nfs/dbraw/zinc/84/60/71/487846071.db2.gz FJWCYBOFYAVFKI-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO Cc1cc(CNc2ccc(CO)c[nH+]2)c(C)s1 ZINC000558569331 322951960 /nfs/dbraw/zinc/95/19/60/322951960.db2.gz HNKFCJWFIIGYDY-UHFFFAOYSA-N 1 2 248.351 2.864 20 0 BFADLO Cn1c[nH+]c(/C=C/c2nc3ccccc3o2)c1 ZINC000669818978 487857873 /nfs/dbraw/zinc/85/78/73/487857873.db2.gz WXRQDBBSNDZFMU-VOTSOKGWSA-N 1 2 225.251 2.732 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000047960329 487881183 /nfs/dbraw/zinc/88/11/83/487881183.db2.gz WFUXESUZCLNZLT-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000047960329 487881190 /nfs/dbraw/zinc/88/11/90/487881190.db2.gz WFUXESUZCLNZLT-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CC1CCC(C[N@@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000682033560 487885261 /nfs/dbraw/zinc/88/52/61/487885261.db2.gz ZLSLZTNMTYSUPS-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2CC(F)(F)C[C@@H]2CO)CC1 ZINC000682033560 487885265 /nfs/dbraw/zinc/88/52/65/487885265.db2.gz ZLSLZTNMTYSUPS-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO CC1C[NH+](Cc2ncccc2C(F)(F)F)C1 ZINC000670270559 487886619 /nfs/dbraw/zinc/88/66/19/487886619.db2.gz SWFPRJSBVJOLNU-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO CC[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2)CCO1 ZINC000164790062 487895952 /nfs/dbraw/zinc/89/59/52/487895952.db2.gz UFORVHHGAKKKLD-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000157513437 487913426 /nfs/dbraw/zinc/91/34/26/487913426.db2.gz XKGOHXWBCIWSFL-RYUDHWBXSA-N 1 2 248.374 2.522 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n[nH]1 ZINC000157513437 487913440 /nfs/dbraw/zinc/91/34/40/487913440.db2.gz XKGOHXWBCIWSFL-RYUDHWBXSA-N 1 2 248.374 2.522 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCC23CCC3)c1 ZINC000652330978 487920904 /nfs/dbraw/zinc/92/09/04/487920904.db2.gz ULAVSRNSLOJGIP-GFCCVEGCSA-N 1 2 232.327 2.973 20 0 BFADLO FC(F)(F)c1cc(C[NH+]2C3CCC2CC3)[nH]n1 ZINC000669619705 487925303 /nfs/dbraw/zinc/92/53/03/487925303.db2.gz OVMJPKBQHLFZDF-UHFFFAOYSA-N 1 2 245.248 2.555 20 0 BFADLO CCc1nn(C)cc1CNc1cc(C)c[nH+]c1C ZINC000404563832 487927048 /nfs/dbraw/zinc/92/70/48/487927048.db2.gz VYTUCTHIPOIIGR-UHFFFAOYSA-N 1 2 244.342 2.606 20 0 BFADLO CC1(C)C[C@H](Nc2ccc3ccccc3[nH+]2)CO1 ZINC000396485106 487936112 /nfs/dbraw/zinc/93/61/12/487936112.db2.gz AMLFUJLTJRAQNB-LBPRGKRZSA-N 1 2 242.322 2.636 20 0 BFADLO O=C(C1=CCCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000151504504 323016923 /nfs/dbraw/zinc/01/69/23/323016923.db2.gz IMELKNHLLWKPNK-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cocn2)ccc1F ZINC000562579891 323025049 /nfs/dbraw/zinc/02/50/49/323025049.db2.gz ARFJBVAXYKZPGV-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cocn2)ccc1F ZINC000562579891 323025050 /nfs/dbraw/zinc/02/50/50/323025050.db2.gz ARFJBVAXYKZPGV-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO COc1ccc[nH+]c1NC1CC2(CCC2)C1 ZINC000562685760 323027576 /nfs/dbraw/zinc/02/75/76/323027576.db2.gz DNNFEZUDBPBKMY-UHFFFAOYSA-N 1 2 218.300 2.835 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1cc(F)ccc1F ZINC000570567606 323063301 /nfs/dbraw/zinc/06/33/01/323063301.db2.gz XLYHWNJNEIFGNG-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CCC[N@H+](Cc1noc(C(C)C)n1)C(C)C ZINC000570694904 323067389 /nfs/dbraw/zinc/06/73/89/323067389.db2.gz TYFPPBLEDAWGNS-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO CCC[N@@H+](Cc1noc(C(C)C)n1)C(C)C ZINC000570694904 323067390 /nfs/dbraw/zinc/06/73/90/323067390.db2.gz TYFPPBLEDAWGNS-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO CCC(CC)(CC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493718955 323087352 /nfs/dbraw/zinc/08/73/52/323087352.db2.gz GTLBUCDQQUDGNE-BQYQJAHWSA-N 1 2 235.331 2.508 20 0 BFADLO Cc1cccc(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000534300104 323115795 /nfs/dbraw/zinc/11/57/95/323115795.db2.gz LHDRVKLDMOASRH-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC23CCCC3)c(C)c[nH+]1 ZINC000534299497 323115873 /nfs/dbraw/zinc/11/58/73/323115873.db2.gz FFDBNEAUFULZDI-GFCCVEGCSA-N 1 2 244.338 2.639 20 0 BFADLO CC[C@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1 ZINC000563445081 323126992 /nfs/dbraw/zinc/12/69/92/323126992.db2.gz WRDHAMIRRYZOMT-ZDUSSCGKSA-N 1 2 245.301 2.857 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1 ZINC000563445080 323127023 /nfs/dbraw/zinc/12/70/23/323127023.db2.gz WRDHAMIRRYZOMT-CYBMUJFWSA-N 1 2 245.301 2.857 20 0 BFADLO Cc1nc(C[NH2+][C@H]2CCCc3occc32)[nH]c1C ZINC000563635670 323133095 /nfs/dbraw/zinc/13/30/95/323133095.db2.gz ISBNNNDCSCYMTB-LBPRGKRZSA-N 1 2 245.326 2.787 20 0 BFADLO Cc1[nH]c(CN[C@H]2CCCc3occc32)[nH+]c1C ZINC000563635670 323133096 /nfs/dbraw/zinc/13/30/96/323133096.db2.gz ISBNNNDCSCYMTB-LBPRGKRZSA-N 1 2 245.326 2.787 20 0 BFADLO Cc1ccc(NC(=O)N(C)CC2CCC2)c(C)[nH+]1 ZINC000152216776 323133545 /nfs/dbraw/zinc/13/35/45/323133545.db2.gz LTOKBBUNAMLLER-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccncc1)c1cscn1 ZINC000161135430 323149059 /nfs/dbraw/zinc/14/90/59/323149059.db2.gz AMRUTCZICQIMRE-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO Cn1cc[nH+]c1CSc1nc2ccccc2o1 ZINC000048872353 323155650 /nfs/dbraw/zinc/15/56/50/323155650.db2.gz GVMNEBSRQIMCKV-UHFFFAOYSA-N 1 2 245.307 2.854 20 0 BFADLO CCCCN(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535061210 323164957 /nfs/dbraw/zinc/16/49/57/323164957.db2.gz BBCPTSLKMDTGKR-UHFFFAOYSA-N 1 2 249.358 2.774 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)s2)o1 ZINC000075712759 323170545 /nfs/dbraw/zinc/17/05/45/323170545.db2.gz YUYRDCJQZACCNR-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)s2)o1 ZINC000075712759 323170546 /nfs/dbraw/zinc/17/05/46/323170546.db2.gz YUYRDCJQZACCNR-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1F ZINC000051474760 323189322 /nfs/dbraw/zinc/18/93/22/323189322.db2.gz OAXHBTFAAKINNT-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(F)ccc1F ZINC000051474760 323189323 /nfs/dbraw/zinc/18/93/23/323189323.db2.gz OAXHBTFAAKINNT-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO CCc1cnc(C[N@@H+](CC)Cc2ccncc2)o1 ZINC000535764044 323190730 /nfs/dbraw/zinc/19/07/30/323190730.db2.gz UEQKWMWZJVGZSY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1cnc(C[N@H+](CC)Cc2ccncc2)o1 ZINC000535764044 323190731 /nfs/dbraw/zinc/19/07/31/323190731.db2.gz UEQKWMWZJVGZSY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCN(CC(C)C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000535774078 323190867 /nfs/dbraw/zinc/19/08/67/323190867.db2.gz HXKUXQFIOODKRS-UHFFFAOYSA-N 1 2 249.358 2.630 20 0 BFADLO c1[nH+]c(SC[C@@H]2CCCOC2)n2ccccc12 ZINC000532386314 323258579 /nfs/dbraw/zinc/25/85/79/323258579.db2.gz VWBUFLSYBRLBCQ-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCC2(C)C)c[nH+]1 ZINC000529566379 324345266 /nfs/dbraw/zinc/34/52/66/324345266.db2.gz OWDNPLCITDYALA-LLVKDONJSA-N 1 2 249.358 2.664 20 0 BFADLO CS[C@@H](C)CNc1cc[nH+]c(C(C)C)n1 ZINC000128853625 324892778 /nfs/dbraw/zinc/89/27/78/324892778.db2.gz LKDUMFAHIRBNQU-VIFPVBQESA-N 1 2 225.361 2.763 20 0 BFADLO C[C@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000129205651 324929070 /nfs/dbraw/zinc/92/90/70/324929070.db2.gz CNRBJQZBQRFSKZ-SSDOTTSWSA-N 1 2 204.195 2.834 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000129241466 324930447 /nfs/dbraw/zinc/93/04/47/324930447.db2.gz MKOUCFYSVDYDJB-GXFFZTMASA-N 1 2 218.300 2.765 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2nnc(C)o2)cc1 ZINC000542615915 325037390 /nfs/dbraw/zinc/03/73/90/325037390.db2.gz LWRNVJWMCPBIOX-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CCC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)CCO1 ZINC000130316077 325039085 /nfs/dbraw/zinc/03/90/85/325039085.db2.gz ZKHYLUBFZZXMGL-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO CCOC1CC(Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000543112738 325072589 /nfs/dbraw/zinc/07/25/89/325072589.db2.gz AOIYPXLVOPCGFM-UHFFFAOYSA-N 1 2 246.354 2.940 20 0 BFADLO COC(=O)[C@H]([NH2+]CC=C(C)C)C1CCCCC1 ZINC000543543996 325092799 /nfs/dbraw/zinc/09/27/99/325092799.db2.gz FAHKNBGWSZJZCO-CYBMUJFWSA-N 1 2 239.359 2.664 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000543541537 325093206 /nfs/dbraw/zinc/09/32/06/325093206.db2.gz QUYINFITIFJACA-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cncc(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000131580462 325167104 /nfs/dbraw/zinc/16/71/04/325167104.db2.gz DYBMLESNNHWJPR-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO Cc1cc(NC(=O)CCc2ccco2)cc[nH+]1 ZINC000073699334 325209961 /nfs/dbraw/zinc/20/99/61/325209961.db2.gz OPBJSOVVEBTVHI-UHFFFAOYSA-N 1 2 230.267 2.554 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)no1 ZINC000075768988 325310988 /nfs/dbraw/zinc/31/09/88/325310988.db2.gz PARMEZPUCXEDBM-NEPJUHHUSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)no1 ZINC000075768988 325310992 /nfs/dbraw/zinc/31/09/92/325310992.db2.gz PARMEZPUCXEDBM-NEPJUHHUSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C(C)C)cc1)C(=O)OC ZINC000133947146 325333070 /nfs/dbraw/zinc/33/30/70/325333070.db2.gz YZIYJWCJCAIPKN-CQSZACIVSA-N 1 2 249.354 2.851 20 0 BFADLO Cc1ccc(C[NH2+]C(C)(C)c2nccs2)nc1 ZINC000134334456 325354336 /nfs/dbraw/zinc/35/43/36/325354336.db2.gz IJNAGJHNHDFZDG-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO CC1(CNc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000552058263 325592370 /nfs/dbraw/zinc/59/23/70/325592370.db2.gz XCTOCYIDHRMELW-UHFFFAOYSA-N 1 2 242.326 2.538 20 0 BFADLO C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1[nH]cc[nH+]1 ZINC000552065540 325593177 /nfs/dbraw/zinc/59/31/77/325593177.db2.gz DWYARPNRQUEDBQ-UWVGGRQHSA-N 1 2 245.330 2.750 20 0 BFADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1C ZINC000140780995 325594757 /nfs/dbraw/zinc/59/47/57/325594757.db2.gz BKBFWTZZSRURJQ-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)/C=C\C(C)(C)C ZINC000254985590 325781521 /nfs/dbraw/zinc/78/15/21/325781521.db2.gz YLXZXIHUBWWHTE-HJWRWDBZSA-N 1 2 247.342 2.688 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@@H]1C ZINC000566479230 326055418 /nfs/dbraw/zinc/05/54/18/326055418.db2.gz NQFIVLACAMFNEF-VIFPVBQESA-N 1 2 247.342 2.660 20 0 BFADLO C[C@H]([N@H+](C)Cc1nn(C)cc1Cl)C(C)(C)C ZINC000566908450 326092599 /nfs/dbraw/zinc/09/25/99/326092599.db2.gz WPLZBDJODZUZES-VIFPVBQESA-N 1 2 243.782 2.940 20 0 BFADLO C[C@H]([N@@H+](C)Cc1nn(C)cc1Cl)C(C)(C)C ZINC000566908450 326092601 /nfs/dbraw/zinc/09/26/01/326092601.db2.gz WPLZBDJODZUZES-VIFPVBQESA-N 1 2 243.782 2.940 20 0 BFADLO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cscn1 ZINC000306750587 326103352 /nfs/dbraw/zinc/10/33/52/326103352.db2.gz KSMXUZQHKVHAHM-YIZRAAEISA-N 1 2 214.309 2.684 20 0 BFADLO CC(C)c1nc(N(C)[C@@H]2CCSC2)cc[nH+]1 ZINC000153790505 326113660 /nfs/dbraw/zinc/11/36/60/326113660.db2.gz NTPHTJDSVNPQQE-SNVBAGLBSA-N 1 2 237.372 2.542 20 0 BFADLO Cc1ccc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000153858805 326116090 /nfs/dbraw/zinc/11/60/90/326116090.db2.gz TZVCORNRGWPVCC-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ccccc1C[C@@H](C)Nc1c[nH]c[nH+]1 ZINC000309536272 326157933 /nfs/dbraw/zinc/15/79/33/326157933.db2.gz FDDKUZGCAFFPNJ-LLVKDONJSA-N 1 2 215.300 2.761 20 0 BFADLO CC(=Cc1ccccc1)CNc1c[nH]c[nH+]1 ZINC000309718025 326165435 /nfs/dbraw/zinc/16/54/35/326165435.db2.gz ZOUQVVINYJBRFG-XFFZJAGNSA-N 1 2 213.284 2.925 20 0 BFADLO Cc1cccc(CC[N@H+](CC(F)F)C(C)C)n1 ZINC000567759854 326256015 /nfs/dbraw/zinc/25/60/15/326256015.db2.gz DNTHACXNHKLKTC-UHFFFAOYSA-N 1 2 242.313 2.908 20 0 BFADLO Cc1cccc(CC[N@@H+](CC(F)F)C(C)C)n1 ZINC000567759854 326256017 /nfs/dbraw/zinc/25/60/17/326256017.db2.gz DNTHACXNHKLKTC-UHFFFAOYSA-N 1 2 242.313 2.908 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCOC2(CCC2)C1 ZINC000568354675 326348485 /nfs/dbraw/zinc/34/84/85/326348485.db2.gz KDCVIYGSAVZNNR-NSHDSACASA-N 1 2 248.326 2.604 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)cs1 ZINC000568783130 326377653 /nfs/dbraw/zinc/37/76/53/326377653.db2.gz NQIFURXLVGAFNY-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CC(C)c1ncc(C[N@H+](C)CC2(F)CC2)cn1 ZINC000568947314 326383205 /nfs/dbraw/zinc/38/32/05/326383205.db2.gz TVPDXKGKKVKUEO-UHFFFAOYSA-N 1 2 237.322 2.534 20 0 BFADLO CC(C)c1ncc(C[N@@H+](C)CC2(F)CC2)cn1 ZINC000568947314 326383206 /nfs/dbraw/zinc/38/32/06/326383206.db2.gz TVPDXKGKKVKUEO-UHFFFAOYSA-N 1 2 237.322 2.534 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000163838525 326405799 /nfs/dbraw/zinc/40/57/99/326405799.db2.gz JBHBOZTUSAFXBZ-CYBMUJFWSA-N 1 2 233.290 2.790 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)CC(C)(C)C ZINC000572975155 326422121 /nfs/dbraw/zinc/42/21/21/326422121.db2.gz MXHXBQHHNZCPGT-UHFFFAOYSA-N 1 2 207.321 2.576 20 0 BFADLO CCc1nc(C[NH+]2CC3(CC(F)C3)C2)cs1 ZINC000677132835 487979593 /nfs/dbraw/zinc/97/95/93/487979593.db2.gz UHFBHEANXWJGPD-UHFFFAOYSA-N 1 2 240.347 2.639 20 0 BFADLO Cc1ncc([C@@H](C)[N@@H+]2CCC=C(F)C2)c(C)n1 ZINC000682077641 487992127 /nfs/dbraw/zinc/99/21/27/487992127.db2.gz QHUOPUJLGOCLHG-SNVBAGLBSA-N 1 2 235.306 2.714 20 0 BFADLO Cc1ncc([C@@H](C)[N@H+]2CCC=C(F)C2)c(C)n1 ZINC000682077641 487992134 /nfs/dbraw/zinc/99/21/34/487992134.db2.gz QHUOPUJLGOCLHG-SNVBAGLBSA-N 1 2 235.306 2.714 20 0 BFADLO CCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1F ZINC000682671647 488008890 /nfs/dbraw/zinc/00/88/90/488008890.db2.gz CMDRMCUEKMEPKF-MRVPVSSYSA-N 1 2 247.260 2.968 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC(F)F ZINC000682706768 488023849 /nfs/dbraw/zinc/02/38/49/488023849.db2.gz GKCDTAILHNKPFD-UHFFFAOYSA-N 1 2 201.216 2.596 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1ccsc1 ZINC000667487237 488024480 /nfs/dbraw/zinc/02/44/80/488024480.db2.gz SHGYSFCZDSKVEE-UHFFFAOYSA-N 1 2 249.383 2.987 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1ccsc1 ZINC000667487237 488024486 /nfs/dbraw/zinc/02/44/86/488024486.db2.gz SHGYSFCZDSKVEE-UHFFFAOYSA-N 1 2 249.383 2.987 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC3(CC3)C2)cc[nH+]1 ZINC000668635587 488034463 /nfs/dbraw/zinc/03/44/63/488034463.db2.gz LNPZDDFIDDUBGB-LBPRGKRZSA-N 1 2 244.338 2.721 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ccsc2)no1 ZINC000050344922 488041556 /nfs/dbraw/zinc/04/15/56/488041556.db2.gz KHZMAMPTPWHNOY-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc(C)nc(SCc2c[nH+]cn2C)c1 ZINC000682449338 488044151 /nfs/dbraw/zinc/04/41/51/488044151.db2.gz ACFCPKOLKYPUJR-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO CCn1cncc1C[N@H+](C)Cc1ccsc1 ZINC000669489280 488048924 /nfs/dbraw/zinc/04/89/24/488048924.db2.gz VGTPMVDMMJIANT-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1cncc1C[N@@H+](C)Cc1ccsc1 ZINC000669489280 488048926 /nfs/dbraw/zinc/04/89/26/488048926.db2.gz VGTPMVDMMJIANT-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1c[nH+]cc1CN(C)Cc1ccsc1 ZINC000669489280 488048930 /nfs/dbraw/zinc/04/89/30/488048930.db2.gz VGTPMVDMMJIANT-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO C[C@@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000677501998 488053977 /nfs/dbraw/zinc/05/39/77/488053977.db2.gz XGHDXQDQQJCZGX-JTQLQIEISA-N 1 2 246.358 2.757 20 0 BFADLO C[C@@H](CNc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000677501998 488053979 /nfs/dbraw/zinc/05/39/79/488053979.db2.gz XGHDXQDQQJCZGX-JTQLQIEISA-N 1 2 246.358 2.757 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682899836 488062069 /nfs/dbraw/zinc/06/20/69/488062069.db2.gz NJCKLANAOOQZBH-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO CC[C@@H](N[C@@H]1CCCC1(F)F)c1[nH+]ccn1C ZINC000672622902 488077057 /nfs/dbraw/zinc/07/70/57/488077057.db2.gz YHPSUAQMZZSJBE-NXEZZACHSA-N 1 2 243.301 2.649 20 0 BFADLO CC[C@](C)(CNc1ccc(C)[nH+]c1)OC ZINC000319910276 488078402 /nfs/dbraw/zinc/07/84/02/488078402.db2.gz RAJGKARJFOSFDR-GFCCVEGCSA-N 1 2 208.305 2.617 20 0 BFADLO CC[C@@](C)(CNc1c[nH+]cc(C)c1)OC ZINC000319944911 488081269 /nfs/dbraw/zinc/08/12/69/488081269.db2.gz USMDHZNADWYXTF-LBPRGKRZSA-N 1 2 208.305 2.617 20 0 BFADLO CC(C)(C)c1cccc(C[NH+]2CCOCC2)c1 ZINC000113448073 488102478 /nfs/dbraw/zinc/10/24/78/488102478.db2.gz PIQATYZXNRXKFB-UHFFFAOYSA-N 1 2 233.355 2.816 20 0 BFADLO Cc1occc1C[NH2+]C(C)(C)C(F)F ZINC000666361107 488115543 /nfs/dbraw/zinc/11/55/43/488115543.db2.gz DJLRDQPELBCRBH-UHFFFAOYSA-N 1 2 203.232 2.721 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000677737209 488115219 /nfs/dbraw/zinc/11/52/19/488115219.db2.gz NZXREZPKKQWHRZ-UWVGGRQHSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000677737209 488115221 /nfs/dbraw/zinc/11/52/21/488115221.db2.gz NZXREZPKKQWHRZ-UWVGGRQHSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000677737210 488115308 /nfs/dbraw/zinc/11/53/08/488115308.db2.gz NZXREZPKKQWHRZ-ZJUUUORDSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000677737210 488115311 /nfs/dbraw/zinc/11/53/11/488115311.db2.gz NZXREZPKKQWHRZ-ZJUUUORDSA-N 1 2 201.260 2.825 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+]2CCc3ccsc3C2)n1 ZINC000677740431 488116956 /nfs/dbraw/zinc/11/69/56/488116956.db2.gz QNIHUMNLNUXCNO-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1noc([C@@H](C)[N@H+]2CCc3ccsc3C2)n1 ZINC000677740431 488116962 /nfs/dbraw/zinc/11/69/62/488116962.db2.gz QNIHUMNLNUXCNO-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO CCc1cc(N[C@@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000665730808 487542655 /nfs/dbraw/zinc/54/26/55/487542655.db2.gz JJJLXBXPHKOCOH-VIFPVBQESA-N 1 2 246.289 2.746 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000668795864 487550173 /nfs/dbraw/zinc/55/01/73/487550173.db2.gz JIFZVKIQMRQHNY-GWCFXTLKSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CC(C)=C[C@H](C)C2)no1 ZINC000668795864 487550178 /nfs/dbraw/zinc/55/01/78/487550178.db2.gz JIFZVKIQMRQHNY-GWCFXTLKSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2c(C)noc2C)o1 ZINC000685571312 487552574 /nfs/dbraw/zinc/55/25/74/487552574.db2.gz BBNNGWSLYSDUOR-QMMMGPOBSA-N 1 2 249.314 2.747 20 0 BFADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC000673950301 487553186 /nfs/dbraw/zinc/55/31/86/487553186.db2.gz GVAJKYDYUMFPSM-RNCFNFMXSA-N 1 2 246.335 2.755 20 0 BFADLO CCc1cc(NCC[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000680068508 487530985 /nfs/dbraw/zinc/53/09/85/487530985.db2.gz KLTSTFJSGLBIDW-VXGBXAGGSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1nc(N[C@H](C(C)C)C2CC2)cc[nH+]1 ZINC000324116956 487532951 /nfs/dbraw/zinc/53/29/51/487532951.db2.gz MHYRVYGMKGAXDC-GFCCVEGCSA-N 1 2 205.305 2.632 20 0 BFADLO C[N@H+](Cc1cn[nH]c1)Cc1ccccc1Cl ZINC000673928146 487482084 /nfs/dbraw/zinc/48/20/84/487482084.db2.gz ZINCITUMEGUDFN-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccccc1Cl ZINC000673928146 487482087 /nfs/dbraw/zinc/48/20/87/487482087.db2.gz ZINCITUMEGUDFN-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO Cc1ccc(C2CCN(CC(F)F)CC2)c[nH+]1 ZINC000679952823 487502902 /nfs/dbraw/zinc/50/29/02/487502902.db2.gz HRSVCDUJOOXFIX-UHFFFAOYSA-N 1 2 240.297 2.835 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000685412057 487517018 /nfs/dbraw/zinc/51/70/18/487517018.db2.gz KLNOIMSQXQGZMK-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000685412057 487517020 /nfs/dbraw/zinc/51/70/20/487517020.db2.gz KLNOIMSQXQGZMK-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC000685411992 487517627 /nfs/dbraw/zinc/51/76/27/487517627.db2.gz GUJUNHJCZREZAU-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C2CCCC2)cc[nH+]1 ZINC000674092122 487518061 /nfs/dbraw/zinc/51/80/61/487518061.db2.gz BMILILFHTCFOPC-NSHDSACASA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)O1 ZINC000665728953 487527188 /nfs/dbraw/zinc/52/71/88/487527188.db2.gz AFSCFEPRJVPIHK-GHMZBOCLSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1c(Cl)cnn1Cc1ccc(C)[nH+]c1 ZINC000655670468 488153867 /nfs/dbraw/zinc/15/38/67/488153867.db2.gz AWWQLSXJBHKGIK-UHFFFAOYSA-N 1 2 221.691 2.597 20 0 BFADLO CC(C)=CCC[N@@H+](C)Cc1nnc(C)s1 ZINC000662256678 490041882 /nfs/dbraw/zinc/04/18/82/490041882.db2.gz YARYELBYMFOWED-UHFFFAOYSA-N 1 2 225.361 2.635 20 0 BFADLO CC(C)=CCC[N@H+](C)Cc1nnc(C)s1 ZINC000662256678 490041884 /nfs/dbraw/zinc/04/18/84/490041884.db2.gz YARYELBYMFOWED-UHFFFAOYSA-N 1 2 225.361 2.635 20 0 BFADLO Cc1c(Cl)cnn1Cc1ccc[nH+]c1C ZINC000685580153 487557126 /nfs/dbraw/zinc/55/71/26/487557126.db2.gz XVURZFPJEKWWHO-UHFFFAOYSA-N 1 2 221.691 2.597 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccc2[nH]ccc21 ZINC000683071287 487611579 /nfs/dbraw/zinc/61/15/79/487611579.db2.gz TUJRVYUOHQJWDM-UHFFFAOYSA-N 1 2 241.269 2.736 20 0 BFADLO Cc1nc(C[N@@H+](C)C(C)(C)c2ccccc2)no1 ZINC000671245500 487888574 /nfs/dbraw/zinc/88/85/74/487888574.db2.gz GAZBNZBUNNHCLN-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO Cc1nc(C[N@H+](C)C(C)(C)c2ccccc2)no1 ZINC000671245500 487888577 /nfs/dbraw/zinc/88/85/77/487888577.db2.gz GAZBNZBUNNHCLN-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO Cc1cc(N2CC3(CC(F)C3)C2)nc(C2CC2)[nH+]1 ZINC000677124523 487976251 /nfs/dbraw/zinc/97/62/51/487976251.db2.gz LVSOJFQCLUFJPN-UHFFFAOYSA-N 1 2 247.317 2.601 20 0 BFADLO Cc1nc(C[NH2+][C@@H](c2cccs2)C2CC2)no1 ZINC000224106190 488016019 /nfs/dbraw/zinc/01/60/19/488016019.db2.gz LLHWRMDGABUSTE-GFCCVEGCSA-N 1 2 249.339 2.680 20 0 BFADLO C[C@H](CNc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000677501999 488053870 /nfs/dbraw/zinc/05/38/70/488053870.db2.gz XGHDXQDQQJCZGX-SNVBAGLBSA-N 1 2 246.358 2.757 20 0 BFADLO C[C@H](CNc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000677501999 488053875 /nfs/dbraw/zinc/05/38/75/488053875.db2.gz XGHDXQDQQJCZGX-SNVBAGLBSA-N 1 2 246.358 2.757 20 0 BFADLO CC[N@H+](Cc1ncc(C)o1)[C@@H](C)c1cccnc1 ZINC000677802859 488125702 /nfs/dbraw/zinc/12/57/02/488125702.db2.gz UQPBMYDJOBMKTR-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ncc(C)o1)[C@@H](C)c1cccnc1 ZINC000677802859 488125707 /nfs/dbraw/zinc/12/57/07/488125707.db2.gz UQPBMYDJOBMKTR-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO Oc1ccc([C@H]2CCC[N@@H+]2Cc2cocn2)cc1 ZINC000683352992 488150942 /nfs/dbraw/zinc/15/09/42/488150942.db2.gz PYXUWJVZSSYRLP-CQSZACIVSA-N 1 2 244.294 2.717 20 0 BFADLO Oc1ccc([C@H]2CCC[N@H+]2Cc2cocn2)cc1 ZINC000683352992 488150945 /nfs/dbraw/zinc/15/09/45/488150945.db2.gz PYXUWJVZSSYRLP-CQSZACIVSA-N 1 2 244.294 2.717 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cocn1 ZINC000683353067 488151442 /nfs/dbraw/zinc/15/14/42/488151442.db2.gz SPPHCNBXXOXQPE-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cocn1 ZINC000683353067 488151446 /nfs/dbraw/zinc/15/14/46/488151446.db2.gz SPPHCNBXXOXQPE-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO CCCn1nccc1CNc1cc(C)c[nH+]c1C ZINC000404562838 488168478 /nfs/dbraw/zinc/16/84/78/488168478.db2.gz VIWMAZMPYAVWJB-UHFFFAOYSA-N 1 2 244.342 2.917 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)o1 ZINC000390645386 488171607 /nfs/dbraw/zinc/17/16/07/488171607.db2.gz NSYCOEXFXUPUPM-JTQLQIEISA-N 1 2 220.272 2.735 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000678029801 488175712 /nfs/dbraw/zinc/17/57/12/488175712.db2.gz AXMBYCJKEDIDJW-LBPRGKRZSA-N 1 2 231.299 2.701 20 0 BFADLO Cc1cccc2[nH]c(C[N@H+]3CCOC[C@H]3C)cc21 ZINC000668069299 488197811 /nfs/dbraw/zinc/19/78/11/488197811.db2.gz MRQRNTXTKBNLKZ-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cccc2[nH]c(C[N@@H+]3CCOC[C@H]3C)cc21 ZINC000668069299 488197814 /nfs/dbraw/zinc/19/78/14/488197814.db2.gz MRQRNTXTKBNLKZ-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CCOC(C)(C)C1 ZINC000085711594 488201739 /nfs/dbraw/zinc/20/17/39/488201739.db2.gz XZWUESATXSDRRX-NSHDSACASA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678127019 488201959 /nfs/dbraw/zinc/20/19/59/488201959.db2.gz ANXXDIKNSAHKCF-MFKMUULPSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678127019 488201963 /nfs/dbraw/zinc/20/19/63/488201963.db2.gz ANXXDIKNSAHKCF-MFKMUULPSA-N 1 2 245.326 2.758 20 0 BFADLO CCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1F ZINC000678146905 488207662 /nfs/dbraw/zinc/20/76/62/488207662.db2.gz YUEVGOGAATYUCA-UHFFFAOYSA-N 1 2 247.317 2.961 20 0 BFADLO CCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1F ZINC000678146905 488207666 /nfs/dbraw/zinc/20/76/66/488207666.db2.gz YUEVGOGAATYUCA-UHFFFAOYSA-N 1 2 247.317 2.961 20 0 BFADLO C[C@H]([NH2+]CC(F)F)c1cc2cnccc2o1 ZINC000668146457 488208906 /nfs/dbraw/zinc/20/89/06/488208906.db2.gz HPOAWQJRQSNWPE-ZETCQYMHSA-N 1 2 226.226 2.744 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000683756464 488216857 /nfs/dbraw/zinc/21/68/57/488216857.db2.gz HITRJBYPEMSXTB-PEGIJTEDSA-N 1 2 231.343 2.985 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CSc3ccccc32)o1 ZINC000231640958 488218295 /nfs/dbraw/zinc/21/82/95/488218295.db2.gz CEHKHGBANDMFSN-LLVKDONJSA-N 1 2 246.335 2.920 20 0 BFADLO C[C@@H]1COCCC[N@@H+]1Cc1c(F)cccc1F ZINC000678272295 488233658 /nfs/dbraw/zinc/23/36/58/488233658.db2.gz DHFGZOFLJZAYTH-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1COCCC[N@H+]1Cc1c(F)cccc1F ZINC000678272295 488233661 /nfs/dbraw/zinc/23/36/61/488233661.db2.gz DHFGZOFLJZAYTH-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000683895812 488238826 /nfs/dbraw/zinc/23/88/26/488238826.db2.gz KSHKOLALKQYMST-ZDUSSCGKSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000683895812 488238829 /nfs/dbraw/zinc/23/88/29/488238829.db2.gz KSHKOLALKQYMST-ZDUSSCGKSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1cc(N2CC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000683939303 488248375 /nfs/dbraw/zinc/24/83/75/488248375.db2.gz PUTYENOHVVRDNR-UHFFFAOYSA-N 1 2 217.316 2.509 20 0 BFADLO CCc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)nc[nH+]1 ZINC000678485368 488260826 /nfs/dbraw/zinc/26/08/26/488260826.db2.gz YWBUATTXAYLEJA-OLZOCXBDSA-N 1 2 249.358 2.655 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cnn(C)c1 ZINC000672622579 488262493 /nfs/dbraw/zinc/26/24/93/488262493.db2.gz NCQRZYAMEMTMGA-WDEREUQCSA-N 1 2 243.301 2.649 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]2C[C@@H]21 ZINC000672761064 488265820 /nfs/dbraw/zinc/26/58/20/488265820.db2.gz HUNQPLWBHFNHFS-NEPJUHHUSA-N 1 2 245.326 2.715 20 0 BFADLO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]cc2F)C1 ZINC000678786345 488282780 /nfs/dbraw/zinc/28/27/80/488282780.db2.gz IILAVINZJJPUQJ-NXEZZACHSA-N 1 2 208.280 2.703 20 0 BFADLO CCc1nnc(C[N@@H+]2CCC(C)=C(C)C2)s1 ZINC000684629608 488335900 /nfs/dbraw/zinc/33/59/00/488335900.db2.gz YAEYYVVNALVIOM-UHFFFAOYSA-N 1 2 237.372 2.643 20 0 BFADLO CCc1nnc(C[N@H+]2CCC(C)=C(C)C2)s1 ZINC000684629608 488335902 /nfs/dbraw/zinc/33/59/02/488335902.db2.gz YAEYYVVNALVIOM-UHFFFAOYSA-N 1 2 237.372 2.643 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000679047138 488304754 /nfs/dbraw/zinc/30/47/54/488304754.db2.gz BECTZKMPJTYVOA-CYBMUJFWSA-N 1 2 231.299 2.557 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)c2cnc(C)nc2C)c1 ZINC000679077112 488306733 /nfs/dbraw/zinc/30/67/33/488306733.db2.gz CPCQRIFKKUVDKE-NSHDSACASA-N 1 2 242.326 2.970 20 0 BFADLO CCc1cc(N[C@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000679191362 488315715 /nfs/dbraw/zinc/31/57/15/488315715.db2.gz SYSASAXCHSKXLV-NSHDSACASA-N 1 2 249.358 2.797 20 0 BFADLO CCc1ccnc(CNc2cc(CC)[nH+]cn2)c1 ZINC000684763764 488340848 /nfs/dbraw/zinc/34/08/48/488340848.db2.gz AWXDBRPBRSNTSQ-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO C[C@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000679358493 488344934 /nfs/dbraw/zinc/34/49/34/488344934.db2.gz JXJPJILCOUIVHV-JQWIXIFHSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@@H]1F ZINC000679358493 488344935 /nfs/dbraw/zinc/34/49/35/488344935.db2.gz JXJPJILCOUIVHV-JQWIXIFHSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C[C@@H]1F ZINC000679358493 488344937 /nfs/dbraw/zinc/34/49/37/488344937.db2.gz JXJPJILCOUIVHV-JQWIXIFHSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C[C@@H]1F ZINC000679358493 488344939 /nfs/dbraw/zinc/34/49/39/488344939.db2.gz JXJPJILCOUIVHV-JQWIXIFHSA-N 1 2 247.317 2.743 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000679358317 488344989 /nfs/dbraw/zinc/34/49/89/488344989.db2.gz GLMLCDCUVJGDCU-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000679358317 488344992 /nfs/dbraw/zinc/34/49/92/488344992.db2.gz GLMLCDCUVJGDCU-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)c1nc(NCCc2ccccn2)cc[nH+]1 ZINC000110111503 490103596 /nfs/dbraw/zinc/10/35/96/490103596.db2.gz GDNLKQPNRAUOLA-UHFFFAOYSA-N 1 2 242.326 2.650 20 0 BFADLO COc1ccc(CNc2cc(C)[nH+]cn2)cc1C ZINC000301222585 490107696 /nfs/dbraw/zinc/10/76/96/490107696.db2.gz BKLFSJFTGQYNKI-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679321942 490111448 /nfs/dbraw/zinc/11/14/48/490111448.db2.gz PBQWCOIRARCBRH-SNVBAGLBSA-N 1 2 238.356 2.612 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679321942 490111450 /nfs/dbraw/zinc/11/14/50/490111450.db2.gz PBQWCOIRARCBRH-SNVBAGLBSA-N 1 2 238.356 2.612 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]2c2ccco2)nc[nH+]1 ZINC000665754344 490220140 /nfs/dbraw/zinc/22/01/40/490220140.db2.gz FACHIKXPPQYARH-GHMZBOCLSA-N 1 2 229.283 2.600 20 0 BFADLO Cn1cc[nH+]c1CNc1nccc2sccc21 ZINC000071274389 490260027 /nfs/dbraw/zinc/26/00/27/490260027.db2.gz WEJVJRPVGIBPII-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)c(C)c1 ZINC000074727067 490501468 /nfs/dbraw/zinc/50/14/68/490501468.db2.gz SUKOIPLALIWZQT-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)c(C)c1 ZINC000074727067 490501473 /nfs/dbraw/zinc/50/14/73/490501473.db2.gz SUKOIPLALIWZQT-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1ccc(NCc2c[nH+]cn2C)c(Cl)c1 ZINC000075877602 490545753 /nfs/dbraw/zinc/54/57/53/490545753.db2.gz VLHZVJIKDOZPCL-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO COc1ccc(N[C@@H](C)c2ccco2)[nH+]c1 ZINC000225833263 491096865 /nfs/dbraw/zinc/09/68/65/491096865.db2.gz ZNCBUHACTSDGHE-VIFPVBQESA-N 1 2 218.256 2.856 20 0 BFADLO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ncc[nH]1 ZINC000139101273 491130347 /nfs/dbraw/zinc/13/03/47/491130347.db2.gz JJKOGLLXBRPBNP-KOLCDFICSA-N 1 2 245.351 2.907 20 0 BFADLO CCC1(O)CCC(Nc2cccc[nH+]2)CC1 ZINC000309428157 491149164 /nfs/dbraw/zinc/14/91/64/491149164.db2.gz FQJXMVLSAAGCFM-UHFFFAOYSA-N 1 2 220.316 2.577 20 0 BFADLO CC(C)(Nc1cc[nH+]c(C2CC2)n1)C(F)F ZINC000309696998 491154659 /nfs/dbraw/zinc/15/46/59/491154659.db2.gz RRAHHVNSLMVSPV-UHFFFAOYSA-N 1 2 227.258 2.810 20 0 BFADLO C1=CCC(Nc2cc[nH+]c3ccncc23)C1 ZINC000309715132 491154868 /nfs/dbraw/zinc/15/48/68/491154868.db2.gz YLJNGBSUBPFAPZ-UHFFFAOYSA-N 1 2 211.268 2.760 20 0 BFADLO C[C@@H](CCc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000309771202 491156157 /nfs/dbraw/zinc/15/61/57/491156157.db2.gz OQVYDINISSHEAI-NSHDSACASA-N 1 2 215.300 2.843 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C(F)(F)F ZINC000309987349 491159462 /nfs/dbraw/zinc/15/94/62/491159462.db2.gz YXHRKMUXUNJOOI-BBBLOLIVSA-N 1 2 239.281 2.875 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1cscn1 ZINC000134141099 491162148 /nfs/dbraw/zinc/16/21/48/491162148.db2.gz FRPGTLTUCRGVKG-QMMMGPOBSA-N 1 2 205.286 2.711 20 0 BFADLO Cc1cc(F)cc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493031291 533826576 /nfs/dbraw/zinc/82/65/76/533826576.db2.gz XGUOOBRSEMXNRP-IHWYPQMZSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)NC1CCCCCCC1 ZINC000493500234 534786412 /nfs/dbraw/zinc/78/64/12/534786412.db2.gz UIBGJBQMJOWZQM-CMDGGOBGSA-N 1 2 247.342 2.652 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H]2C(F)F)cc[nH+]1 ZINC000334420014 534907416 /nfs/dbraw/zinc/90/74/16/534907416.db2.gz SPBWAMBSZNRNJQ-SECBINFHSA-N 1 2 241.285 2.834 20 0 BFADLO CC(C)c1nc(N2CC(C3CCC3)C2)cc[nH+]1 ZINC000343256486 534908537 /nfs/dbraw/zinc/90/85/37/534908537.db2.gz WOKKENNBHRXEHQ-UHFFFAOYSA-N 1 2 231.343 2.836 20 0 BFADLO CC(C)c1nc(N2C[C@@H]3[C@H](C2)C3(C)C)cc[nH+]1 ZINC000172773505 534911547 /nfs/dbraw/zinc/91/15/47/534911547.db2.gz DBKKSWYJAFXUPG-PHIMTYICSA-N 1 2 231.343 2.692 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729237 527421282 /nfs/dbraw/zinc/42/12/82/527421282.db2.gz VMCKNWGVYDRMHQ-GUOLPTJISA-N 1 2 247.342 2.674 20 0 BFADLO CC(C)CN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493407607 527926274 /nfs/dbraw/zinc/92/62/74/527926274.db2.gz ZWNWAWXTJFSXGN-WAYWQWQTSA-N 1 2 249.358 2.564 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1 ZINC000300064561 528041072 /nfs/dbraw/zinc/04/10/72/528041072.db2.gz FKMJTXARGJTMAF-KWCYVHTRSA-N 1 2 247.338 2.536 20 0 BFADLO CCCCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901426 528153606 /nfs/dbraw/zinc/15/36/06/528153606.db2.gz PFYYVQMYPNYIFV-LAUAKBEESA-N 1 2 249.358 2.898 20 0 BFADLO CCC[C@H]([NH2+]Cc1c(C)cccc1C)C(=O)OC ZINC000475094070 528226583 /nfs/dbraw/zinc/22/65/83/528226583.db2.gz XDCIRXUQULDISC-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCC(CC)CN(CC)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493730875 528737256 /nfs/dbraw/zinc/73/72/56/528737256.db2.gz XARVYUCVZQTBQG-FPLPWBNLSA-N 1 2 249.358 2.708 20 0 BFADLO CCC(CC)N(C(=O)/C=C/c1[nH]cc[nH+]1)C1CC1 ZINC000493524181 528767769 /nfs/dbraw/zinc/76/77/69/528767769.db2.gz PTUCLKAFVRNKRS-BQYQJAHWSA-N 1 2 247.342 2.603 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492494639 528882974 /nfs/dbraw/zinc/88/29/74/528882974.db2.gz RLZSYWFITJQFLJ-JLVNDZCYSA-N 1 2 249.358 2.563 20 0 BFADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000492808140 528911172 /nfs/dbraw/zinc/91/11/72/528911172.db2.gz CHNUYNCDTYEMJL-HJWRWDBZSA-N 1 2 247.342 2.604 20 0 BFADLO CCC[C@@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492444991 528914404 /nfs/dbraw/zinc/91/44/04/528914404.db2.gz GNFPBLBWOVGLKK-IDVQTMNDSA-N 1 2 249.358 2.611 20 0 BFADLO CC1(C)CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493395345 528921497 /nfs/dbraw/zinc/92/14/97/528921497.db2.gz XOCPTSWNXGBVFK-ZHRWSRJISA-N 1 2 247.342 2.508 20 0 BFADLO CC1(C)CCC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493385322 528982120 /nfs/dbraw/zinc/98/21/20/528982120.db2.gz MPUQAIJXQWWQNA-QRGHLMKCSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(F)(F)F ZINC000308646510 529122088 /nfs/dbraw/zinc/12/20/88/529122088.db2.gz HWPDGNKCOFWUIJ-CIUDSAMLSA-N 1 2 209.255 2.819 20 0 BFADLO CCc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492858202 529177226 /nfs/dbraw/zinc/17/72/26/529177226.db2.gz FIJCJAFECMFHCP-SREVYHEPSA-N 1 2 241.294 2.624 20 0 BFADLO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc[nH]1 ZINC000174824473 529255229 /nfs/dbraw/zinc/25/52/29/529255229.db2.gz OXVINFCCPYRNNE-LBPRGKRZSA-N 1 2 248.305 2.527 20 0 BFADLO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000174824473 529255230 /nfs/dbraw/zinc/25/52/30/529255230.db2.gz OXVINFCCPYRNNE-LBPRGKRZSA-N 1 2 248.305 2.527 20 0 BFADLO CC[C@@H]1CCC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493680426 529303082 /nfs/dbraw/zinc/30/30/82/529303082.db2.gz YNIJVWMTLSLBDX-BYAJROORSA-N 1 2 247.342 2.508 20 0 BFADLO CCCCc1nc(C[N@H+](CCC)C2CC2)no1 ZINC000171678707 535094832 /nfs/dbraw/zinc/09/48/32/535094832.db2.gz XRBWXRLFUGHKRD-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@@H+](CCC)C2CC2)no1 ZINC000171678707 535094836 /nfs/dbraw/zinc/09/48/36/535094836.db2.gz XRBWXRLFUGHKRD-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076149096 535528940 /nfs/dbraw/zinc/52/89/40/535528940.db2.gz XRPQDERNIPORRL-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076149096 535528944 /nfs/dbraw/zinc/52/89/44/535528944.db2.gz XRPQDERNIPORRL-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336004607 535544430 /nfs/dbraw/zinc/54/44/30/535544430.db2.gz GCZVFWBVWBHRNN-SNVBAGLBSA-N 1 2 246.314 2.597 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347947092 535928320 /nfs/dbraw/zinc/92/83/20/535928320.db2.gz ZEJJYRBBWUOPOP-JTNHKYCSSA-N 1 2 247.342 2.509 20 0 BFADLO COC1(C)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000335670563 536568429 /nfs/dbraw/zinc/56/84/29/536568429.db2.gz WFBDGOAEZANVTI-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)C(C)C ZINC000225833172 566330700 /nfs/dbraw/zinc/33/07/00/566330700.db2.gz FGCRWAPIEHHZLN-LLVKDONJSA-N 1 2 208.305 2.937 20 0 BFADLO CCc1nn(C[N@H+](C)CC2CC2)c(=S)s1 ZINC000853491694 588746039 /nfs/dbraw/zinc/74/60/39/588746039.db2.gz XWVLJPOTLIDUSP-UHFFFAOYSA-N 1 2 243.401 2.536 20 0 BFADLO CCc1nn(C[N@@H+](C)CC2CC2)c(=S)s1 ZINC000853491694 588746040 /nfs/dbraw/zinc/74/60/40/588746040.db2.gz XWVLJPOTLIDUSP-UHFFFAOYSA-N 1 2 243.401 2.536 20 0 BFADLO NC(=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000853638005 588751326 /nfs/dbraw/zinc/75/13/26/588751326.db2.gz XITDXFNBWTUTSO-LMKPVCQUSA-N 1 2 230.311 2.579 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1CC=CC1 ZINC000853674980 588754813 /nfs/dbraw/zinc/75/48/13/588754813.db2.gz LSLWYSSHHOEVHF-LLVKDONJSA-N 1 2 240.347 2.512 20 0 BFADLO CC(C)=CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000853675288 588754857 /nfs/dbraw/zinc/75/48/57/588754857.db2.gz RNZCMTRZKJYILS-LBPRGKRZSA-N 1 2 242.363 2.902 20 0 BFADLO C1=C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000853801452 588764402 /nfs/dbraw/zinc/76/44/02/588764402.db2.gz ZITXKDFFALSSFE-LBPRGKRZSA-N 1 2 244.342 2.597 20 0 BFADLO C1=C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000853801452 588764403 /nfs/dbraw/zinc/76/44/03/588764403.db2.gz ZITXKDFFALSSFE-LBPRGKRZSA-N 1 2 244.342 2.597 20 0 BFADLO CC(C)c1nc(N[C@H]2COC3(CCC3)C2)cc[nH+]1 ZINC000853827275 588765220 /nfs/dbraw/zinc/76/52/20/588765220.db2.gz QSMSPTYOHQQTNA-LLVKDONJSA-N 1 2 247.342 2.724 20 0 BFADLO CC[NH2+]Cc1noc(C2CCC(C3CC3)CC2)n1 ZINC000854131941 588775789 /nfs/dbraw/zinc/77/57/89/588775789.db2.gz DTQHUHJIWBWHIA-UHFFFAOYSA-N 1 2 249.358 2.863 20 0 BFADLO CC[NH2+]Cc1noc([C@]2(C)CC=C(C)CC2)n1 ZINC000854132126 588775808 /nfs/dbraw/zinc/77/58/08/588775808.db2.gz MKRLZJOQLICLGZ-CYBMUJFWSA-N 1 2 235.331 2.567 20 0 BFADLO CC[NH2+]Cc1noc(C2[C@@H]3CCCCCC[C@@H]23)n1 ZINC000854131888 588775843 /nfs/dbraw/zinc/77/58/43/588775843.db2.gz BBHXRCRDFYXFCS-GHMZBOCLSA-N 1 2 249.358 2.863 20 0 BFADLO OCCOc1ccc([NH2+]C2CCCCC2)cc1 ZINC000111997850 588778101 /nfs/dbraw/zinc/77/81/01/588778101.db2.gz RLOXDULSLFPRLD-UHFFFAOYSA-N 1 2 235.327 2.802 20 0 BFADLO C[C@@H](NC(=O)/C=C\C1CCCCC1)c1[nH]cc[nH+]1 ZINC000854595178 588796428 /nfs/dbraw/zinc/79/64/28/588796428.db2.gz VDMYIBICAFMSDX-SKVAFPRGSA-N 1 2 247.342 2.723 20 0 BFADLO C[C@@H](NC(=O)C=CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000854595178 588796429 /nfs/dbraw/zinc/79/64/29/588796429.db2.gz VDMYIBICAFMSDX-SKVAFPRGSA-N 1 2 247.342 2.723 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000804784451 582556385 /nfs/dbraw/zinc/55/63/85/582556385.db2.gz OTSIHNVSFKKLDI-MNOVXSKESA-N 1 2 217.316 2.589 20 0 BFADLO CO[C@@](C)(CNc1ccc([NH+](C)C)cc1)C1CC1 ZINC000846753109 582665295 /nfs/dbraw/zinc/66/52/95/582665295.db2.gz HPDPGTZWYTYHPK-HNNXBMFYSA-N 1 2 248.370 2.980 20 0 BFADLO COC[C@H](C)Nc1ccc2ccc(OC)cc2[nH+]1 ZINC000891438516 582685675 /nfs/dbraw/zinc/68/56/75/582685675.db2.gz NNDYZEAGIQKANI-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)c2cccnc2)[nH+]1 ZINC000891560929 582697422 /nfs/dbraw/zinc/69/74/22/582697422.db2.gz GIRDJKUXYIHHND-GHMZBOCLSA-N 1 2 243.310 2.703 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccnn1C1CCC1 ZINC000891779739 582719134 /nfs/dbraw/zinc/71/91/34/582719134.db2.gz NSKSLJAFBYTWEZ-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccnn1C1CCC1 ZINC000891779739 582719136 /nfs/dbraw/zinc/71/91/36/582719136.db2.gz NSKSLJAFBYTWEZ-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO Cn1ncc(C[N@H+](C)Cc2ccoc2)c1C1CC1 ZINC000891779185 582719695 /nfs/dbraw/zinc/71/96/95/582719695.db2.gz HACDRQQNQADPPB-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1ncc(C[N@@H+](C)Cc2ccoc2)c1C1CC1 ZINC000891779185 582719698 /nfs/dbraw/zinc/71/96/98/582719698.db2.gz HACDRQQNQADPPB-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO CCOCCNc1ccc2ccc(OC)cc2[nH+]1 ZINC000891885028 582735483 /nfs/dbraw/zinc/73/54/83/582735483.db2.gz QMXGVVZAADQANW-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO CCc1cc(NCC(F)(F)F)nc(CC)[nH+]1 ZINC000892009623 582760197 /nfs/dbraw/zinc/76/01/97/582760197.db2.gz LVTIZMUPMNHETB-UHFFFAOYSA-N 1 2 233.237 2.576 20 0 BFADLO COC[C@@H](C)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892024903 582764336 /nfs/dbraw/zinc/76/43/36/582764336.db2.gz IZGXIBYRQVGQNV-JTQLQIEISA-N 1 2 249.358 2.747 20 0 BFADLO COCC[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892252311 582813778 /nfs/dbraw/zinc/81/37/78/582813778.db2.gz NYSLIHSBIXLZEJ-JTQLQIEISA-N 1 2 249.358 2.889 20 0 BFADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC000092332096 582855408 /nfs/dbraw/zinc/85/54/08/582855408.db2.gz GRXBIRAQDIBBNJ-MRVPVSSYSA-N 1 2 249.314 2.747 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000892342031 582861716 /nfs/dbraw/zinc/86/17/16/582861716.db2.gz IXHPBWRROWEVLA-OUAUKWLOSA-N 1 2 220.316 2.735 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000783287994 582955298 /nfs/dbraw/zinc/95/52/98/582955298.db2.gz SQXYNKGTSSXBQJ-ZYHUDNBSSA-N 1 2 232.327 2.726 20 0 BFADLO C/C=C(/C=C/C(=O)N[C@@H](C)c1[nH+]ccn1C)CC ZINC000856276821 588866642 /nfs/dbraw/zinc/86/66/42/588866642.db2.gz DHXLWDSHWAZWHF-LUZMGCNYSA-N 1 2 247.342 2.510 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279950 588866968 /nfs/dbraw/zinc/86/69/68/588866968.db2.gz IEDRJCPWQURWEV-USKTWTLRSA-N 1 2 249.358 2.590 20 0 BFADLO Cc1cc(NCc2ccon2)nc(C2CCC2)[nH+]1 ZINC000892783686 582981888 /nfs/dbraw/zinc/98/18/88/582981888.db2.gz AGZQQGQAWJGRTN-UHFFFAOYSA-N 1 2 244.298 2.653 20 0 BFADLO CC/C(C)=C\C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288446 588867420 /nfs/dbraw/zinc/86/74/20/588867420.db2.gz SXFGNJSXHZCCRZ-YFHOEESVSA-N 1 2 243.310 2.938 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1cc(F)ccc1F ZINC000395084704 583040558 /nfs/dbraw/zinc/04/05/58/583040558.db2.gz QVFSVMQGRAYHDX-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CCc1cc(N[C@H]2CCO[C@H](C)C2)nc(CC)[nH+]1 ZINC000893088400 583048017 /nfs/dbraw/zinc/04/80/17/583048017.db2.gz PADOLCXSMIHPMH-PWSUYJOCSA-N 1 2 249.358 2.581 20 0 BFADLO CCn1cc(CNc2ccc(C)[nH+]c2C)c(C)n1 ZINC000893197103 583069083 /nfs/dbraw/zinc/06/90/83/583069083.db2.gz DREKOVFGPFQPBH-UHFFFAOYSA-N 1 2 244.342 2.835 20 0 BFADLO Cc1[nH+]cccc1NCc1nnc(C2CC2)s1 ZINC000893198861 583069122 /nfs/dbraw/zinc/06/91/22/583069122.db2.gz RRZIWJRLPGGZJS-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO Cc1cc(N2CC(C)C2)nc(C2CCC2)[nH+]1 ZINC000893198342 583069400 /nfs/dbraw/zinc/06/94/00/583069400.db2.gz UHGFZJKYFYNQMG-UHFFFAOYSA-N 1 2 217.316 2.509 20 0 BFADLO c1nc(C[NH2+][C@H]2CSCc3ccccc32)co1 ZINC000397710689 583107021 /nfs/dbraw/zinc/10/70/21/583107021.db2.gz CIHPPVXLRJFYIR-ZDUSSCGKSA-N 1 2 246.335 2.752 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)cn1 ZINC000398185674 583123922 /nfs/dbraw/zinc/12/39/22/583123922.db2.gz IQQPGKLYHRXMKV-GXSJLCMTSA-N 1 2 243.301 2.741 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C1CCCCC1 ZINC000893517749 583155710 /nfs/dbraw/zinc/15/57/10/583155710.db2.gz UFMZKGLMIRWJNB-GFCCVEGCSA-N 1 2 248.326 2.760 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1ccsc1 ZINC000893517395 583155803 /nfs/dbraw/zinc/15/58/03/583155803.db2.gz FQXOMHMHKSBMIQ-SNVBAGLBSA-N 1 2 248.307 2.555 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)C(C)(C)C1CC1 ZINC000893526442 583157922 /nfs/dbraw/zinc/15/79/22/583157922.db2.gz ACFCYIPVNWEEIR-LLVKDONJSA-N 1 2 248.326 2.616 20 0 BFADLO Cc1cc(NCCC[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893560965 583164327 /nfs/dbraw/zinc/16/43/27/583164327.db2.gz CSLQVLKSJVFQOM-LLVKDONJSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc(N2CC(C)(F)C2)nc(C2CCC2)[nH+]1 ZINC000893591906 583168591 /nfs/dbraw/zinc/16/85/91/583168591.db2.gz VWJVCGUJCCSGRF-UHFFFAOYSA-N 1 2 235.306 2.601 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000219083402 583174549 /nfs/dbraw/zinc/17/45/49/583174549.db2.gz PRYNHMGOWCYZHZ-GXSJLCMTSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000219083538 583174572 /nfs/dbraw/zinc/17/45/72/583174572.db2.gz PRYNHMGOWCYZHZ-MWLCHTKSSA-N 1 2 231.299 2.790 20 0 BFADLO CC(C)SCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893850187 583232793 /nfs/dbraw/zinc/23/27/93/583232793.db2.gz OTTVTFSHYKGVDZ-JTQLQIEISA-N 1 2 240.372 2.688 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000893865235 583234140 /nfs/dbraw/zinc/23/41/40/583234140.db2.gz IYIDPHJCTHNOCG-AOOOYVTPSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000893865235 583234141 /nfs/dbraw/zinc/23/41/41/583234141.db2.gz IYIDPHJCTHNOCG-AOOOYVTPSA-N 1 2 241.356 2.611 20 0 BFADLO C=C=CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893943352 583255693 /nfs/dbraw/zinc/25/56/93/583255693.db2.gz QJCZPNRWNHKCRP-UHFFFAOYSA-N 1 2 215.300 2.806 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1C ZINC000893988052 583270057 /nfs/dbraw/zinc/27/00/57/583270057.db2.gz YBCLDGLONMZAQU-JOYOIKCWSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1C ZINC000893988052 583270059 /nfs/dbraw/zinc/27/00/59/583270059.db2.gz YBCLDGLONMZAQU-JOYOIKCWSA-N 1 2 221.348 2.647 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC000894036476 583279197 /nfs/dbraw/zinc/27/91/97/583279197.db2.gz YPQYFDRWBOASMS-LBPRGKRZSA-N 1 2 223.316 2.589 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC000894036476 583279198 /nfs/dbraw/zinc/27/91/98/583279198.db2.gz YPQYFDRWBOASMS-LBPRGKRZSA-N 1 2 223.316 2.589 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000894027355 583280279 /nfs/dbraw/zinc/28/02/79/583280279.db2.gz QCBUIRNQMHPZFX-ZJUUUORDSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000894027355 583280280 /nfs/dbraw/zinc/28/02/80/583280280.db2.gz QCBUIRNQMHPZFX-ZJUUUORDSA-N 1 2 241.356 2.611 20 0 BFADLO CCc1cc(N[C@@H]2CCC[C@H]2OC)nc(CC)[nH+]1 ZINC000894072174 583296324 /nfs/dbraw/zinc/29/63/24/583296324.db2.gz MNQYPYVVIJBNFM-VXGBXAGGSA-N 1 2 249.358 2.581 20 0 BFADLO CCOCc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894123416 583311704 /nfs/dbraw/zinc/31/17/04/583311704.db2.gz LORQGRRQGYSMQD-UHFFFAOYSA-N 1 2 231.299 2.558 20 0 BFADLO CCOCc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894123416 583311706 /nfs/dbraw/zinc/31/17/06/583311706.db2.gz LORQGRRQGYSMQD-UHFFFAOYSA-N 1 2 231.299 2.558 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000894168214 583324426 /nfs/dbraw/zinc/32/44/26/583324426.db2.gz QULRCHDGKPQXKR-NOHGZBONSA-N 1 2 232.327 2.735 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878321047 583370009 /nfs/dbraw/zinc/37/00/09/583370009.db2.gz LCLUTXSLTWHMEN-MNOVXSKESA-N 1 2 245.313 2.675 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878321047 583370011 /nfs/dbraw/zinc/37/00/11/583370011.db2.gz LCLUTXSLTWHMEN-MNOVXSKESA-N 1 2 245.313 2.675 20 0 BFADLO Cc1conc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000878365491 583371725 /nfs/dbraw/zinc/37/17/25/583371725.db2.gz OZVIHFIEPSUSAW-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO CSc1ccc(N[C@@H]2COCC2(C)C)[nH+]c1 ZINC000894346747 583431342 /nfs/dbraw/zinc/43/13/42/583431342.db2.gz UZITZOMJMASYEU-SNVBAGLBSA-N 1 2 238.356 2.640 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)c2cccnc2)c1C ZINC000894448613 583462132 /nfs/dbraw/zinc/46/21/32/583462132.db2.gz IPKIEUVKVNONEI-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@@H](C)c2cccnc2)c1C ZINC000894448613 583462134 /nfs/dbraw/zinc/46/21/34/583462134.db2.gz IPKIEUVKVNONEI-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)C(C)(C)C2)c1C ZINC000894464559 583466595 /nfs/dbraw/zinc/46/65/95/583466595.db2.gz RRSYGBVBPVHSAQ-JTQLQIEISA-N 1 2 235.375 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)c1C ZINC000894464559 583466596 /nfs/dbraw/zinc/46/65/96/583466596.db2.gz RRSYGBVBPVHSAQ-JTQLQIEISA-N 1 2 235.375 2.895 20 0 BFADLO CCc1cc(N[C@H]2COC(C)(C)C2)nc(CC)[nH+]1 ZINC000894480475 583469769 /nfs/dbraw/zinc/46/97/69/583469769.db2.gz IFBLHDRHSCSTIS-LLVKDONJSA-N 1 2 249.358 2.581 20 0 BFADLO CC[C@@H]1CN(Cc2c[nH+]c[nH]2)c2ccccc2O1 ZINC000894490164 583471818 /nfs/dbraw/zinc/47/18/18/583471818.db2.gz CULADSSFUIMUIU-GFCCVEGCSA-N 1 2 243.310 2.587 20 0 BFADLO CC[C@@H]1CN(Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000894490164 583471819 /nfs/dbraw/zinc/47/18/19/583471819.db2.gz CULADSSFUIMUIU-GFCCVEGCSA-N 1 2 243.310 2.587 20 0 BFADLO CC1(C)Cc2cccc(NCc3c[nH+]c[nH]3)c2O1 ZINC000894540206 583481285 /nfs/dbraw/zinc/48/12/85/583481285.db2.gz FCRZLZZPVMUFHG-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO CC1(C)Cc2cccc(NCc3c[nH]c[nH+]3)c2O1 ZINC000894540206 583481287 /nfs/dbraw/zinc/48/12/87/583481287.db2.gz FCRZLZZPVMUFHG-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC3(CCC3)C[C@H]2C)c1C ZINC000894567104 583485033 /nfs/dbraw/zinc/48/50/33/583485033.db2.gz QHDKPYFZNWGYBW-SNVBAGLBSA-N 1 2 233.359 2.791 20 0 BFADLO Cc1nnc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)s1 ZINC000894605032 583491286 /nfs/dbraw/zinc/49/12/86/583491286.db2.gz IFAMOACBYIDZJF-NSHDSACASA-N 1 2 239.388 2.713 20 0 BFADLO Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)s1 ZINC000894605032 583491288 /nfs/dbraw/zinc/49/12/88/583491288.db2.gz IFAMOACBYIDZJF-NSHDSACASA-N 1 2 239.388 2.713 20 0 BFADLO C[C@@]1(F)CCCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894658424 583498954 /nfs/dbraw/zinc/49/89/54/583498954.db2.gz HEXPXBORLZFHDG-CYBMUJFWSA-N 1 2 237.322 2.542 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000894658424 583498956 /nfs/dbraw/zinc/49/89/56/583498956.db2.gz HEXPXBORLZFHDG-CYBMUJFWSA-N 1 2 237.322 2.542 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000894658424 583498958 /nfs/dbraw/zinc/49/89/58/583498958.db2.gz HEXPXBORLZFHDG-CYBMUJFWSA-N 1 2 237.322 2.542 20 0 BFADLO CCc1cc(NCc2ccns2)nc(CC)[nH+]1 ZINC000894663019 583500851 /nfs/dbraw/zinc/50/08/51/583500851.db2.gz FAOPPSUMHMDMNK-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO CCc1cc(N2CC3CC2(C)C3)nc(CC)[nH+]1 ZINC000894656452 583501179 /nfs/dbraw/zinc/50/11/79/583501179.db2.gz BWQPQOHJXVWPSD-UHFFFAOYSA-N 1 2 231.343 2.590 20 0 BFADLO c1[nH]c(CN2CCCSc3ccccc32)c[nH+]1 ZINC000894785698 583521280 /nfs/dbraw/zinc/52/12/80/583521280.db2.gz ABSMODKIMNUYGF-UHFFFAOYSA-N 1 2 245.351 2.912 20 0 BFADLO c1[nH]cc(CN2CCCSc3ccccc32)[nH+]1 ZINC000894785698 583521281 /nfs/dbraw/zinc/52/12/81/583521281.db2.gz ABSMODKIMNUYGF-UHFFFAOYSA-N 1 2 245.351 2.912 20 0 BFADLO CCC1C[NH+](Cc2nc(C(C)(C)C)co2)C1 ZINC000894812788 583523395 /nfs/dbraw/zinc/52/33/95/583523395.db2.gz HREXIZFRYXDFHF-UHFFFAOYSA-N 1 2 222.332 2.814 20 0 BFADLO CCC1(C)C[NH+](Cc2c(Cl)c(C)nn2C)C1 ZINC000894840990 583530200 /nfs/dbraw/zinc/53/02/00/583530200.db2.gz UKQHQJOYTCUELS-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000894862247 583535243 /nfs/dbraw/zinc/53/52/43/583535243.db2.gz VPHKXEIAQNEYLC-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(F)c(F)c1F ZINC000894862247 583535244 /nfs/dbraw/zinc/53/52/44/583535244.db2.gz VPHKXEIAQNEYLC-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2F)[C@@H]1C ZINC000894862246 583535266 /nfs/dbraw/zinc/53/52/66/583535266.db2.gz VPHKXEIAQNEYLC-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)[C@@H]1C ZINC000894862246 583535267 /nfs/dbraw/zinc/53/52/67/583535267.db2.gz VPHKXEIAQNEYLC-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cc(C)co1 ZINC000894863464 583536526 /nfs/dbraw/zinc/53/65/26/583536526.db2.gz DKTYWUOTZYCKIA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cc(C)co1 ZINC000894863464 583536528 /nfs/dbraw/zinc/53/65/28/583536528.db2.gz DKTYWUOTZYCKIA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CSc1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000894874518 583541145 /nfs/dbraw/zinc/54/11/45/583541145.db2.gz PGXROXCZUFRBQY-MRVPVSSYSA-N 1 2 215.293 2.545 20 0 BFADLO CSc1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000894874518 583541146 /nfs/dbraw/zinc/54/11/46/583541146.db2.gz PGXROXCZUFRBQY-MRVPVSSYSA-N 1 2 215.293 2.545 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)nc(CC)[nH+]1 ZINC000894921656 583556248 /nfs/dbraw/zinc/55/62/48/583556248.db2.gz KSRZQEXSVYAUOW-JBLDHEPKSA-N 1 2 249.358 2.579 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc(CC)[nH+]1 ZINC000894921655 583556269 /nfs/dbraw/zinc/55/62/69/583556269.db2.gz KSRZQEXSVYAUOW-HOSYDEDBSA-N 1 2 249.358 2.579 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cccnc2F)o1 ZINC000793282924 583580409 /nfs/dbraw/zinc/58/04/09/583580409.db2.gz AIRHAMUDGMUHSQ-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CC(C)(C)OC2(C)C)c1C ZINC000882165902 583597470 /nfs/dbraw/zinc/59/74/70/583597470.db2.gz FWLAJCCGZABBJV-NSHDSACASA-N 1 2 249.358 2.851 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C=CCC2)[nH+]1 ZINC000895131603 583600913 /nfs/dbraw/zinc/60/09/13/583600913.db2.gz YEPWPXOYQLAZPV-WDEREUQCSA-N 1 2 218.300 2.513 20 0 BFADLO Cc1cc(N2CCC(F)CC2)nc(C2CCC2)[nH+]1 ZINC000895135024 583601878 /nfs/dbraw/zinc/60/18/78/583601878.db2.gz FDUGOKKILIZJFV-UHFFFAOYSA-N 1 2 249.333 2.991 20 0 BFADLO COCc1cc[nH+]c(NCc2cc(C)co2)c1 ZINC000895149824 583606057 /nfs/dbraw/zinc/60/60/57/583606057.db2.gz BXMZIBQOQXBWBX-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895192316 583621736 /nfs/dbraw/zinc/62/17/36/583621736.db2.gz ZBNAVYPVXXCBEB-LBPRGKRZSA-N 1 2 237.322 2.542 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895192316 583621738 /nfs/dbraw/zinc/62/17/38/583621738.db2.gz ZBNAVYPVXXCBEB-LBPRGKRZSA-N 1 2 237.322 2.542 20 0 BFADLO CC(C)Cc1ccccc1C[NH2+]Cc1c[nH]cn1 ZINC000895390328 583664105 /nfs/dbraw/zinc/66/41/05/583664105.db2.gz WUNIHYDNMTWRBS-UHFFFAOYSA-N 1 2 243.354 2.898 20 0 BFADLO Cc1ccc(CCCN2CC[C@@H]2C(F)F)c[nH+]1 ZINC000895430055 583669513 /nfs/dbraw/zinc/66/95/13/583669513.db2.gz AQZLCRFKJJAGJI-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCCC1 ZINC000895430568 583669516 /nfs/dbraw/zinc/66/95/16/583669516.db2.gz GRWWJCQBAXCQOM-WDEREUQCSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)C1CCCC1 ZINC000895430568 583669517 /nfs/dbraw/zinc/66/95/17/583669517.db2.gz GRWWJCQBAXCQOM-WDEREUQCSA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@]1(C[N@@H+]2CC[C@H]2C(F)F)CCCS1 ZINC000895430083 583669794 /nfs/dbraw/zinc/66/97/94/583669794.db2.gz BXMWOTQXTDAQJA-WPRPVWTQSA-N 1 2 221.316 2.612 20 0 BFADLO C[C@@]1(C[N@H+]2CC[C@H]2C(F)F)CCCS1 ZINC000895430083 583669795 /nfs/dbraw/zinc/66/97/95/583669795.db2.gz BXMWOTQXTDAQJA-WPRPVWTQSA-N 1 2 221.316 2.612 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1CC1Cc2ccccc2C1 ZINC000895431295 583670383 /nfs/dbraw/zinc/67/03/83/583670383.db2.gz LELXNFZURWKTAR-ZDUSSCGKSA-N 1 2 237.293 2.741 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1CC1Cc2ccccc2C1 ZINC000895431295 583670384 /nfs/dbraw/zinc/67/03/84/583670384.db2.gz LELXNFZURWKTAR-ZDUSSCGKSA-N 1 2 237.293 2.741 20 0 BFADLO FC[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000895543633 583688713 /nfs/dbraw/zinc/68/87/13/583688713.db2.gz DHZMQRMCSPHNSZ-QMMMGPOBSA-N 1 2 248.754 2.978 20 0 BFADLO FC[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000895543633 583688715 /nfs/dbraw/zinc/68/87/15/583688715.db2.gz DHZMQRMCSPHNSZ-QMMMGPOBSA-N 1 2 248.754 2.978 20 0 BFADLO FC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000895546659 583690147 /nfs/dbraw/zinc/69/01/47/583690147.db2.gz AACIQQRTHUGRCB-UHFFFAOYSA-N 1 2 234.727 2.730 20 0 BFADLO Cc1cc(N[C@@H]2CSC[C@H]2C)c[nH+]c1C ZINC000895645076 583700473 /nfs/dbraw/zinc/70/04/73/583700473.db2.gz LYEFFIUZEHXFAF-BXKDBHETSA-N 1 2 222.357 2.862 20 0 BFADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ncc[nH]1 ZINC000895704095 583710500 /nfs/dbraw/zinc/71/05/00/583710500.db2.gz IRDAMILKOSZGTR-UHFFFAOYSA-N 1 2 247.342 2.898 20 0 BFADLO COC(C)(C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000895783594 583727104 /nfs/dbraw/zinc/72/71/04/583727104.db2.gz RSZVVQDOBRILEH-JTQLQIEISA-N 1 2 249.358 2.888 20 0 BFADLO Cc1nc(N[C@@H](c2ccccn2)C2CC2)cc[nH+]1 ZINC000895792182 583729106 /nfs/dbraw/zinc/72/91/06/583729106.db2.gz AZQGQJVNNYSXDP-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1nc(NC(C)(C)/C=C/Cl)cc[nH+]1 ZINC000895916277 583746155 /nfs/dbraw/zinc/74/61/55/583746155.db2.gz YDEPMEDFICXGBF-AATRIKPKSA-N 1 2 211.696 2.728 20 0 BFADLO C[C@@H]1CCC[C@H](c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896048020 583765788 /nfs/dbraw/zinc/76/57/88/583765788.db2.gz FFIXKFGPNHSOKS-MNOVXSKESA-N 1 2 249.358 2.914 20 0 BFADLO CCC(CC)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857981665 588927881 /nfs/dbraw/zinc/92/78/81/588927881.db2.gz ALQGFOAAZNUZMP-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO C[C@@H](c1noc(C2([NH+](C)C)CC2)n1)C(C)(C)C ZINC000896101880 583770237 /nfs/dbraw/zinc/77/02/37/583770237.db2.gz FGROTWJKAYNQJK-VIFPVBQESA-N 1 2 237.347 2.770 20 0 BFADLO CCC[C@H](O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000896187730 583781279 /nfs/dbraw/zinc/78/12/79/583781279.db2.gz SKUFOZYIEHRRTF-NSHDSACASA-N 1 2 237.347 2.563 20 0 BFADLO CCc1nc(N[C@@H]2CCS[C@H](C)C2)cc[nH+]1 ZINC000896247270 583784866 /nfs/dbraw/zinc/78/48/66/583784866.db2.gz QYPKJNBTPUTHFV-NXEZZACHSA-N 1 2 237.372 2.735 20 0 BFADLO CCC/C(C)=C\C(=O)NCCCCn1cc[nH+]c1 ZINC000727862770 583787493 /nfs/dbraw/zinc/78/74/93/583787493.db2.gz ZEUUARKKOVVNEK-QBFSEMIESA-N 1 2 249.358 2.526 20 0 BFADLO CC(C)c1nc(N[C@]23C[C@H]2CCC3)cc[nH+]1 ZINC000896723468 583825992 /nfs/dbraw/zinc/82/59/92/583825992.db2.gz KYNVQOAQSSEXIJ-ZWNOBZJWSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@H](O)c1cccc(NCC(C)(C)C2CC2)[nH+]1 ZINC000896782955 583833198 /nfs/dbraw/zinc/83/31/98/583833198.db2.gz GOEVXDZNBRJEJN-JTQLQIEISA-N 1 2 234.343 2.983 20 0 BFADLO Cc1cc(NCC(C)(C)C2CC2)nc[nH+]1 ZINC000896783313 583833243 /nfs/dbraw/zinc/83/32/43/583833243.db2.gz KSISXHXMAZVKBO-UHFFFAOYSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc(N[C@H]2CCOC23CCCCC3)cc[nH+]1 ZINC000896990035 583867132 /nfs/dbraw/zinc/86/71/32/583867132.db2.gz GMDOWNVHAFHQPO-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO CC1(C)C[C@@H](Nc2cc[nH+]cc2F)CCS1 ZINC000897062563 583876690 /nfs/dbraw/zinc/87/66/90/583876690.db2.gz HMRCQGFESWEFTN-VIFPVBQESA-N 1 2 240.347 2.729 20 0 BFADLO CCc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000897176519 583888797 /nfs/dbraw/zinc/88/87/97/583888797.db2.gz ZCCAFZZEXQUKCZ-GMTAPVOTSA-N 1 2 217.316 2.640 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]3CCC[C@@H]32)c1C ZINC000897177714 583890249 /nfs/dbraw/zinc/89/02/49/583890249.db2.gz UPZBPOSCZLIITN-GRYCIOLGSA-N 1 2 217.316 2.694 20 0 BFADLO CCC/C=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000729359585 583994335 /nfs/dbraw/zinc/99/43/35/583994335.db2.gz STOSMWGXOBHKRE-AATRIKPKSA-N 1 2 243.310 2.938 20 0 BFADLO c1cn(CCCSCc2ccncc2)c[nH+]1 ZINC000865358929 584016758 /nfs/dbraw/zinc/01/67/58/584016758.db2.gz RFCNSTKZQCJAMO-UHFFFAOYSA-N 1 2 233.340 2.602 20 0 BFADLO Cn1ccnc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865814759 584031575 /nfs/dbraw/zinc/03/15/75/584031575.db2.gz NIWCWAHZKCEQSE-UHFFFAOYSA-N 1 2 247.342 2.600 20 0 BFADLO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000148695309 584034514 /nfs/dbraw/zinc/03/45/14/584034514.db2.gz FEUCGZAGRZLRMG-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COC[C@H](C)CNc1c[nH+]cc(C(C)C)c1 ZINC000897707481 584041523 /nfs/dbraw/zinc/04/15/23/584041523.db2.gz PNFNCKSLUAJCJQ-LLVKDONJSA-N 1 2 222.332 2.899 20 0 BFADLO Cc1nn(C)cc1CNc1c[nH+]cc(C(C)C)c1 ZINC000897707548 584042389 /nfs/dbraw/zinc/04/23/89/584042389.db2.gz RORCHSZUNRDPNY-UHFFFAOYSA-N 1 2 244.342 2.859 20 0 BFADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cncs1 ZINC000897929342 584060973 /nfs/dbraw/zinc/06/09/73/584060973.db2.gz RKOUQNPUJAGHSN-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)(C)c1coc(C[NH2+]Cc2cc[nH]c2)n1 ZINC000897944234 584062886 /nfs/dbraw/zinc/06/28/86/584062886.db2.gz BSMURCCZLCIBAS-UHFFFAOYSA-N 1 2 233.315 2.590 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000898334857 584111400 /nfs/dbraw/zinc/11/14/00/584111400.db2.gz AJPLEZYDTWESSW-UBHSHLNASA-N 1 2 247.338 2.679 20 0 BFADLO Cl/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC000898432778 584135107 /nfs/dbraw/zinc/13/51/07/584135107.db2.gz ILPVIJMIGWLBJV-UPHRSURJSA-N 1 2 223.128 2.639 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccns2)no1 ZINC000858576076 588968114 /nfs/dbraw/zinc/96/81/14/588968114.db2.gz HOAABOJGAOFVNW-RKDXNWHRSA-N 1 2 237.328 2.851 20 0 BFADLO CCn1c[nH+]c(/C=C/c2nc(Cl)ncc2C)c1 ZINC000899371254 584208443 /nfs/dbraw/zinc/20/84/43/584208443.db2.gz FAORDYXLGVGBCK-SNAWJCMRSA-N 1 2 248.717 2.825 20 0 BFADLO CCCc1ccc(NC(=O)Cc2c[nH+]c[nH]2)cc1 ZINC000899967506 584261888 /nfs/dbraw/zinc/26/18/88/584261888.db2.gz MYEBCRHWTRRUJZ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCCc1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000899967506 584261892 /nfs/dbraw/zinc/26/18/92/584261892.db2.gz MYEBCRHWTRRUJZ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCO[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000901412199 584440877 /nfs/dbraw/zinc/44/08/77/584440877.db2.gz ZKQZNSXUCYPPCF-SECBINFHSA-N 1 2 222.313 2.809 20 0 BFADLO C[C@H]1C[C@@H]1C(=O)CSc1[nH+]cc2ccccn21 ZINC000901411171 584441055 /nfs/dbraw/zinc/44/10/55/584441055.db2.gz GPOUYDJDLDIDKY-ONGXEEELSA-N 1 2 246.335 2.652 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCCCCCO)ccc2O1 ZINC000901446647 584447320 /nfs/dbraw/zinc/44/73/20/584447320.db2.gz IRFPMKKQAVJWMS-LBPRGKRZSA-N 1 2 249.354 2.975 20 0 BFADLO Cc1ccc(CSCc2cn(C)c[nH+]2)o1 ZINC000901670888 584477743 /nfs/dbraw/zinc/47/77/43/584477743.db2.gz CLITXAMNADANDD-UHFFFAOYSA-N 1 2 222.313 2.755 20 0 BFADLO CCOc1ccc(NCc2cn(CC)c[nH+]2)cc1 ZINC000902040726 584515340 /nfs/dbraw/zinc/51/53/40/584515340.db2.gz AISDSYLCRHWOHT-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(OC)c2)c1 ZINC000902078788 584520818 /nfs/dbraw/zinc/52/08/18/584520818.db2.gz GBNSDKPOMXGRFS-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CCc1cnc(NCc2[nH]c(C)c(C)[nH+]2)s1 ZINC000902059799 584521561 /nfs/dbraw/zinc/52/15/61/584521561.db2.gz XXKRUAFQZWQHCC-UHFFFAOYSA-N 1 2 236.344 2.658 20 0 BFADLO Cc1nc(NCc2ncc(C(C)C)s2)cc[nH+]1 ZINC000902124064 584529133 /nfs/dbraw/zinc/52/91/33/584529133.db2.gz AGRVHJMHLBQCIU-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CC(C)c1c[nH+]cc(NCC2(C)COC2)c1 ZINC000902266382 584548890 /nfs/dbraw/zinc/54/88/90/584548890.db2.gz QFSUHGPAYQXTRA-UHFFFAOYSA-N 1 2 220.316 2.653 20 0 BFADLO CCn1c[nH+]c(CNc2cc(C)cc(F)c2)c1 ZINC000902347184 584559021 /nfs/dbraw/zinc/55/90/21/584559021.db2.gz LWGFCZAHCIWWJQ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1ccc(F)c(COCc2[nH]cc[nH+]2)c1F ZINC000902395888 584585091 /nfs/dbraw/zinc/58/50/91/584585091.db2.gz FMCBMPXDXMCMTI-UHFFFAOYSA-N 1 2 238.237 2.713 20 0 BFADLO Cn1nc(C[N@H+](C)Cc2ccccc2)cc1Cl ZINC000859063476 588996081 /nfs/dbraw/zinc/99/60/81/588996081.db2.gz LFXOXEARSGIUSH-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1nc(C[N@@H+](C)Cc2ccccc2)cc1Cl ZINC000859063476 588996082 /nfs/dbraw/zinc/99/60/82/588996082.db2.gz LFXOXEARSGIUSH-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1nonc1CSCCc1cccc(C)[nH+]1 ZINC000902530459 584633125 /nfs/dbraw/zinc/63/31/25/584633125.db2.gz RUWMBLCYKBEIJD-UHFFFAOYSA-N 1 2 249.339 2.557 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(OC)c2C)c1 ZINC000902624001 584640479 /nfs/dbraw/zinc/64/04/79/584640479.db2.gz BBYQHAISRSKGPC-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO CCn1c[nH+]c(CNc2cc(C)n(C(C)C)n2)c1 ZINC000902600893 584640921 /nfs/dbraw/zinc/64/09/21/584640921.db2.gz HFDKWTDJLOJVOL-UHFFFAOYSA-N 1 2 247.346 2.601 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(OC)cc2F)c1 ZINC000902629098 584646468 /nfs/dbraw/zinc/64/64/68/584646468.db2.gz NGIOHQNBQHQGMA-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO FC(F)OCCOc1ccc2c[nH+]ccc2c1 ZINC000902639433 584649085 /nfs/dbraw/zinc/64/90/85/584649085.db2.gz XKQWMNKLPWPTMC-UHFFFAOYSA-N 1 2 239.221 2.853 20 0 BFADLO COc1ccc2[nH+]ccc(OCCSC)c2c1 ZINC000902900382 584693317 /nfs/dbraw/zinc/69/33/17/584693317.db2.gz PCFGKLWCLZMFCR-UHFFFAOYSA-N 1 2 249.335 2.985 20 0 BFADLO CO[C@@H]1CCC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000903219768 584737718 /nfs/dbraw/zinc/73/77/18/584737718.db2.gz JUFDSXCPCHFGEW-QWHCGFSZSA-N 1 2 220.316 2.678 20 0 BFADLO CO[C@H]1CCC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000903219765 584737823 /nfs/dbraw/zinc/73/78/23/584737823.db2.gz JUFDSXCPCHFGEW-OLZOCXBDSA-N 1 2 220.316 2.678 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cncs1 ZINC000903309335 584747696 /nfs/dbraw/zinc/74/76/96/584747696.db2.gz DLWCHOGTMIHZKE-KXUCPTDWSA-N 1 2 248.355 2.696 20 0 BFADLO CCC[C@]1(C)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896579 584819816 /nfs/dbraw/zinc/81/98/16/584819816.db2.gz VLEPSUPMDKPJOM-WCQYABFASA-N 1 2 248.361 2.871 20 0 BFADLO CCC[C@]1(C)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896579 584819818 /nfs/dbraw/zinc/81/98/18/584819818.db2.gz VLEPSUPMDKPJOM-WCQYABFASA-N 1 2 248.361 2.871 20 0 BFADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cocn1 ZINC000903948976 584830079 /nfs/dbraw/zinc/83/00/79/584830079.db2.gz XDCHMHXUNSOYPI-CYBMUJFWSA-N 1 2 243.310 2.710 20 0 BFADLO CCC[C@@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260289 584859326 /nfs/dbraw/zinc/85/93/26/584859326.db2.gz NKATXKXTIRCQME-MRVPVSSYSA-N 1 2 246.314 2.926 20 0 BFADLO CCCCCc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257502 584859387 /nfs/dbraw/zinc/85/93/87/584859387.db2.gz ZEIZZTHHASWLJP-UHFFFAOYSA-N 1 2 246.314 2.755 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H](C)C2CC2)n1 ZINC000904259430 584859438 /nfs/dbraw/zinc/85/94/38/584859438.db2.gz CTNGXSHIGHQVJJ-ZETCQYMHSA-N 1 2 244.298 2.536 20 0 BFADLO CC[C@H](C)Cc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904261830 584859477 /nfs/dbraw/zinc/85/94/77/584859477.db2.gz PINPASPDGZEECB-QMMMGPOBSA-N 1 2 246.314 2.611 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(OC2COC2)cc1 ZINC000754147359 584913854 /nfs/dbraw/zinc/91/38/54/584913854.db2.gz COIPNPWTYNUVTL-QWRGUYRKSA-N 1 2 233.311 2.532 20 0 BFADLO O=C(C=C1CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000733968480 584955879 /nfs/dbraw/zinc/95/58/79/584955879.db2.gz VYKHBWMKUWOBMH-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO CCc1nc(NCC2(COC)CCCC2)cc[nH+]1 ZINC000884525389 584956406 /nfs/dbraw/zinc/95/64/06/584956406.db2.gz UOBPVONAOFWYFS-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781450 585007920 /nfs/dbraw/zinc/00/79/20/585007920.db2.gz OKBDSDNLKRBINV-ZJUUUORDSA-N 1 2 242.388 2.666 20 0 BFADLO CCCC(=O)OCc1[nH+]cc(C)c(OC)c1C ZINC000736739705 585011136 /nfs/dbraw/zinc/01/11/36/585011136.db2.gz BVMBHVIISGHRET-UHFFFAOYSA-N 1 2 237.299 2.550 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccn(C)n1 ZINC000840743300 585029643 /nfs/dbraw/zinc/02/96/43/585029643.db2.gz XCHYFXZEOSVJJJ-NSHDSACASA-N 1 2 244.342 2.659 20 0 BFADLO C[C@H]1CCCCC[N@@H+]1Cn1ncsc1=S ZINC000738221890 585041635 /nfs/dbraw/zinc/04/16/35/585041635.db2.gz DSHOPMCPDCZKNG-VIFPVBQESA-N 1 2 243.401 2.896 20 0 BFADLO C[C@H]1CCCCC[N@H+]1Cn1ncsc1=S ZINC000738221890 585041636 /nfs/dbraw/zinc/04/16/36/585041636.db2.gz DSHOPMCPDCZKNG-VIFPVBQESA-N 1 2 243.401 2.896 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000738429263 585045913 /nfs/dbraw/zinc/04/59/13/585045913.db2.gz RMJLTYLAQKRYOX-STQMWFEESA-N 1 2 249.354 2.640 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000738429262 585045921 /nfs/dbraw/zinc/04/59/21/585045921.db2.gz RMJLTYLAQKRYOX-QWHCGFSZSA-N 1 2 249.354 2.640 20 0 BFADLO CC[C@@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000738651413 585050106 /nfs/dbraw/zinc/05/01/06/585050106.db2.gz RZQPPDBRMLMLEV-LLVKDONJSA-N 1 2 246.310 2.527 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C(C)=C1CCC1 ZINC000838238281 585050203 /nfs/dbraw/zinc/05/02/03/585050203.db2.gz ZFQLZTXSNJHHMN-UHFFFAOYSA-N 1 2 247.294 2.634 20 0 BFADLO CC/C=C(\C)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838952637 585080648 /nfs/dbraw/zinc/08/06/48/585080648.db2.gz JJTJLPGJTBNMJQ-YRNVUSSQSA-N 1 2 248.326 2.547 20 0 BFADLO CC/C=C(/C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000741710630 585116813 /nfs/dbraw/zinc/11/68/13/585116813.db2.gz JZIYBBAEEMMOPJ-SDQBBNPISA-N 1 2 249.358 2.512 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000741775764 585118362 /nfs/dbraw/zinc/11/83/62/585118362.db2.gz XBMVSCLTIUGJOU-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000741775764 585118363 /nfs/dbraw/zinc/11/83/63/585118363.db2.gz XBMVSCLTIUGJOU-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1nc(N2Cc3ccccc3[C@@H](C)C2)cc[nH+]1 ZINC000742389587 585125639 /nfs/dbraw/zinc/12/56/39/585125639.db2.gz KAJLJAYDGVJVRO-NSHDSACASA-N 1 2 239.322 2.909 20 0 BFADLO C[C@H]([NH2+]Cc1ccoc1)c1nc(C(C)(C)C)no1 ZINC000742390827 585125745 /nfs/dbraw/zinc/12/57/45/585125745.db2.gz QNLGTNPGUNIHJI-VIFPVBQESA-N 1 2 249.314 2.811 20 0 BFADLO Cl/C=C\C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000743872018 585141766 /nfs/dbraw/zinc/14/17/66/585141766.db2.gz NPPZWZWIRSNRCZ-IRBQFCFKSA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C\C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000743872018 585141767 /nfs/dbraw/zinc/14/17/67/585141767.db2.gz NPPZWZWIRSNRCZ-IRBQFCFKSA-N 1 2 237.730 2.812 20 0 BFADLO CC[N@H+](CCCOC)c1ccc(C)cc1 ZINC000746103383 585163057 /nfs/dbraw/zinc/16/30/57/585163057.db2.gz HREVNWUONARZIS-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO CC[N@@H+](CCCOC)c1ccc(C)cc1 ZINC000746103383 585163058 /nfs/dbraw/zinc/16/30/58/585163058.db2.gz HREVNWUONARZIS-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO CC[N@H+](C[C@@H]1CCOC1)c1ccc(C)cc1 ZINC000746103419 585163253 /nfs/dbraw/zinc/16/32/53/585163253.db2.gz JIGJRXLBEUKCSC-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@@H]1CCOC1)c1ccc(C)cc1 ZINC000746103419 585163254 /nfs/dbraw/zinc/16/32/54/585163254.db2.gz JIGJRXLBEUKCSC-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO c1csc(NCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000746989920 585173960 /nfs/dbraw/zinc/17/39/60/585173960.db2.gz WQBXUIOIOIVNRM-UHFFFAOYSA-N 1 2 244.323 2.674 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cccc(F)n2)o1 ZINC000747935174 585186189 /nfs/dbraw/zinc/18/61/89/585186189.db2.gz HTMFADDWHDCAFO-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO O=C(CCCn1cc[nH+]c1)OC[C@H]1CC=CCC1 ZINC000748602957 585194335 /nfs/dbraw/zinc/19/43/35/585194335.db2.gz HNSHKRIYMFVCEP-ZDUSSCGKSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H]2C2CC2)[nH+]1 ZINC000751224994 585226026 /nfs/dbraw/zinc/22/60/26/585226026.db2.gz FWSXEAJXMRHDFN-GFCCVEGCSA-N 1 2 242.326 2.645 20 0 BFADLO CC=C(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000751310098 585226639 /nfs/dbraw/zinc/22/66/39/585226639.db2.gz YHLLGSQAQQXSCX-XCVCLJGOSA-N 1 2 241.294 2.981 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000754127106 585279039 /nfs/dbraw/zinc/27/90/39/585279039.db2.gz JJEUAMVTNKVSJF-VXGBXAGGSA-N 1 2 249.354 2.904 20 0 BFADLO CC(C)CCO[NH+]=C(N)Cc1cccs1 ZINC000754292600 585282392 /nfs/dbraw/zinc/28/23/92/585282392.db2.gz NMLKHAVNNFHALL-UHFFFAOYSA-N 1 2 226.345 2.835 20 0 BFADLO CC(C)[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000755998522 585312523 /nfs/dbraw/zinc/31/25/23/585312523.db2.gz YAJUVRGREZUPKX-MRVPVSSYSA-N 1 2 227.245 2.865 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000755998522 585312524 /nfs/dbraw/zinc/31/25/24/585312524.db2.gz YAJUVRGREZUPKX-MRVPVSSYSA-N 1 2 227.245 2.865 20 0 BFADLO CC[C@H](C)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000756410367 585319598 /nfs/dbraw/zinc/31/95/98/585319598.db2.gz KFEVPDSVSDVABF-JTQLQIEISA-N 1 2 232.283 2.537 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000757383658 585333996 /nfs/dbraw/zinc/33/39/96/585333996.db2.gz WQYJZPDPVBEUKL-JQWIXIFHSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000757383662 585334044 /nfs/dbraw/zinc/33/40/44/585334044.db2.gz WQYJZPDPVBEUKL-ZYHUDNBSSA-N 1 2 245.326 2.758 20 0 BFADLO C/C=C/C=C\C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000757681984 585344262 /nfs/dbraw/zinc/34/42/62/585344262.db2.gz YWEOUDYVRJFTPZ-DEQVHDEQSA-N 1 2 247.294 2.574 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000758358497 585354704 /nfs/dbraw/zinc/35/47/04/585354704.db2.gz BAZFJWDRDJQSGR-ZDUSSCGKSA-N 1 2 231.299 2.557 20 0 BFADLO O=C(C[C@H]1CCC[N@H+]1CCF)c1cccs1 ZINC000759344488 585369540 /nfs/dbraw/zinc/36/95/40/585369540.db2.gz IJPJSCAXGISPPE-SNVBAGLBSA-N 1 2 241.331 2.755 20 0 BFADLO O=C(C[C@H]1CCC[N@@H+]1CCF)c1cccs1 ZINC000759344488 585369541 /nfs/dbraw/zinc/36/95/41/585369541.db2.gz IJPJSCAXGISPPE-SNVBAGLBSA-N 1 2 241.331 2.755 20 0 BFADLO Cc1ccccc1[C@H]1C[N@H+](CCF)[C@@H](C)CO1 ZINC000759348256 585370803 /nfs/dbraw/zinc/37/08/03/585370803.db2.gz SUSSMYGBABWAJF-GXTWGEPZSA-N 1 2 237.318 2.726 20 0 BFADLO Cc1ccccc1[C@H]1C[N@@H+](CCF)[C@@H](C)CO1 ZINC000759348256 585370804 /nfs/dbraw/zinc/37/08/04/585370804.db2.gz SUSSMYGBABWAJF-GXTWGEPZSA-N 1 2 237.318 2.726 20 0 BFADLO CCCCCC[C@H](O)C[N@H+](C)CC(F)F ZINC000759366483 585371354 /nfs/dbraw/zinc/37/13/54/585371354.db2.gz OMYNOPOZABPMRI-JTQLQIEISA-N 1 2 223.307 2.515 20 0 BFADLO CCCCCC[C@H](O)C[N@@H+](C)CC(F)F ZINC000759366483 585371355 /nfs/dbraw/zinc/37/13/55/585371355.db2.gz OMYNOPOZABPMRI-JTQLQIEISA-N 1 2 223.307 2.515 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc[nH]1 ZINC000760274821 585388644 /nfs/dbraw/zinc/38/86/44/585388644.db2.gz WBMUVEAMSCZNFV-SECBINFHSA-N 1 2 228.299 2.855 20 0 BFADLO CCOC(=O)[C@@H]([NH2+][C@@H]1C=CCCC1)C(C)(C)C ZINC000760916840 585401809 /nfs/dbraw/zinc/40/18/09/585401809.db2.gz OWCBFDCXKJZARX-VXGBXAGGSA-N 1 2 239.359 2.663 20 0 BFADLO CC(C)CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000762211286 585429030 /nfs/dbraw/zinc/42/90/30/585429030.db2.gz WHFWTAAOXCTFFU-GFCCVEGCSA-N 1 2 244.379 2.982 20 0 BFADLO C[C@H]1C[C@H]1c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000762254660 585430124 /nfs/dbraw/zinc/43/01/24/585430124.db2.gz OJJDYXKFFBEKSL-WCBMZHEXSA-N 1 2 240.266 2.508 20 0 BFADLO CCC(=O)CCC[N@H+](CC(F)F)C1CCC1 ZINC000887102435 585440103 /nfs/dbraw/zinc/44/01/03/585440103.db2.gz POVAECHXYVFSSC-UHFFFAOYSA-N 1 2 233.302 2.865 20 0 BFADLO CCC(=O)CCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102435 585440104 /nfs/dbraw/zinc/44/01/04/585440104.db2.gz POVAECHXYVFSSC-UHFFFAOYSA-N 1 2 233.302 2.865 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc2c(c1)COC2 ZINC000766421905 585502284 /nfs/dbraw/zinc/50/22/84/585502284.db2.gz XJDGXTFKTNSRHU-SNVBAGLBSA-N 1 2 244.294 2.556 20 0 BFADLO CCCCC[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000767894760 585527930 /nfs/dbraw/zinc/52/79/30/585527930.db2.gz OYDATQHLLBLCAT-NSHDSACASA-N 1 2 249.358 2.902 20 0 BFADLO COc1ccc(NCc2cccnc2Cl)[nH+]c1 ZINC000769406929 585555566 /nfs/dbraw/zinc/55/55/66/585555566.db2.gz WASYDRGHFJLIIC-UHFFFAOYSA-N 1 2 249.701 2.751 20 0 BFADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2cncnc2)c1 ZINC000769506211 585558394 /nfs/dbraw/zinc/55/83/94/585558394.db2.gz DFEUJFBCJNQNHG-AWEZNQCLSA-N 1 2 243.285 2.563 20 0 BFADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2cncnc2)c1 ZINC000769506211 585558395 /nfs/dbraw/zinc/55/83/95/585558395.db2.gz DFEUJFBCJNQNHG-AWEZNQCLSA-N 1 2 243.285 2.563 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CCCC12CCC2 ZINC000769984884 585568738 /nfs/dbraw/zinc/56/87/38/585568738.db2.gz TWHIUUYMGQHPSR-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CCCC12CCC2 ZINC000769984884 585568739 /nfs/dbraw/zinc/56/87/39/585568739.db2.gz TWHIUUYMGQHPSR-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO CCC[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770660753 585579157 /nfs/dbraw/zinc/57/91/57/585579157.db2.gz YZXBOGXCIKXXQZ-NSHDSACASA-N 1 2 245.326 2.595 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000770660751 585579163 /nfs/dbraw/zinc/57/91/63/585579163.db2.gz YZXBOGXCIKXXQZ-LLVKDONJSA-N 1 2 245.326 2.595 20 0 BFADLO CC(C)(C)c1nnc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000770700934 585580387 /nfs/dbraw/zinc/58/03/87/585580387.db2.gz MZRRGPCDLZBVQN-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)(C)c1nnc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000770700934 585580388 /nfs/dbraw/zinc/58/03/88/585580388.db2.gz MZRRGPCDLZBVQN-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO Cc1nsc(Nc2ccc([NH+](C)C)cc2C)n1 ZINC000771085912 585590061 /nfs/dbraw/zinc/59/00/61/585590061.db2.gz JGNWYQBAFLGTGM-UHFFFAOYSA-N 1 2 248.355 2.965 20 0 BFADLO NC(=[NH+]OCC1CCCC1)c1cccc(F)c1 ZINC000771863927 585602893 /nfs/dbraw/zinc/60/28/93/585602893.db2.gz LGFMTDYEGRIVEU-UHFFFAOYSA-N 1 2 236.290 2.862 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC1CCCC1 ZINC000771862637 585602958 /nfs/dbraw/zinc/60/29/58/585602958.db2.gz DCFUYRUUGSYVKT-NSHDSACASA-N 1 2 242.363 2.736 20 0 BFADLO Cc1ccc(COC(=O)C2CCCC2)c(C)[nH+]1 ZINC000771882200 585603219 /nfs/dbraw/zinc/60/32/19/585603219.db2.gz RWESSIXKGWOUMU-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO Cc1ccc(COC(=O)c2cncs2)c(C)[nH+]1 ZINC000771970342 585605861 /nfs/dbraw/zinc/60/58/61/585605861.db2.gz XWPAPVOAXYWJFT-UHFFFAOYSA-N 1 2 248.307 2.512 20 0 BFADLO Cc1ccc(COC(=O)C2CCC2)c(C)[nH+]1 ZINC000771979845 585606159 /nfs/dbraw/zinc/60/61/59/585606159.db2.gz YNAQUBOUOVDWNC-UHFFFAOYSA-N 1 2 219.284 2.542 20 0 BFADLO CCCC(CCC)C(=O)OCCn1cc[nH+]c1 ZINC000772021903 585607270 /nfs/dbraw/zinc/60/72/70/585607270.db2.gz GYISEWIMPNPMFS-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO Cc1ccc(COC(=O)c2cscn2)c(C)[nH+]1 ZINC000772062628 585607803 /nfs/dbraw/zinc/60/78/03/585607803.db2.gz BKUPOAFYSYETEQ-UHFFFAOYSA-N 1 2 248.307 2.512 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000772182804 585609566 /nfs/dbraw/zinc/60/95/66/585609566.db2.gz WASWUZDVFNPZKT-KGLIPLIRSA-N 1 2 245.322 2.788 20 0 BFADLO CC[C@H](CSC)[N@H+](C)CC(F)(F)C(F)F ZINC000773709553 585642816 /nfs/dbraw/zinc/64/28/16/585642816.db2.gz HCGQIJACGJUHOI-SSDOTTSWSA-N 1 2 247.301 2.960 20 0 BFADLO CC[C@H](CSC)[N@@H+](C)CC(F)(F)C(F)F ZINC000773709553 585642817 /nfs/dbraw/zinc/64/28/17/585642817.db2.gz HCGQIJACGJUHOI-SSDOTTSWSA-N 1 2 247.301 2.960 20 0 BFADLO CON(Cc1c[nH+]c[nH]1)C[C@H]1CCC[C@H](C)C1 ZINC000810137569 585649542 /nfs/dbraw/zinc/64/95/42/585649542.db2.gz UNLSDPFMUZVNTC-RYUDHWBXSA-N 1 2 237.347 2.599 20 0 BFADLO CON(Cc1c[nH]c[nH+]1)C[C@H]1CCC[C@H](C)C1 ZINC000810137569 585649543 /nfs/dbraw/zinc/64/95/43/585649543.db2.gz UNLSDPFMUZVNTC-RYUDHWBXSA-N 1 2 237.347 2.599 20 0 BFADLO C[C@H](COc1ccccc1)Nc1cccc[nH+]1 ZINC000774527340 585660618 /nfs/dbraw/zinc/66/06/18/585660618.db2.gz WPHAEIUGINVJMN-GFCCVEGCSA-N 1 2 228.295 2.961 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CC[C@H](C)C1 ZINC000805522848 585665355 /nfs/dbraw/zinc/66/53/55/585665355.db2.gz GVZDGBUKUMNRFH-WDEREUQCSA-N 1 2 249.310 2.570 20 0 BFADLO CC[C@](C)([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000775386375 585677150 /nfs/dbraw/zinc/67/71/50/585677150.db2.gz DAPLPDAEYNMORQ-AWEZNQCLSA-N 1 2 245.326 2.793 20 0 BFADLO CCC/C(C)=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777454729 585712409 /nfs/dbraw/zinc/71/24/09/585712409.db2.gz QWFWMECWQFGBTF-HCRIHEDKSA-N 1 2 247.342 2.820 20 0 BFADLO CCC/C(C)=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454732 585712524 /nfs/dbraw/zinc/71/25/24/585712524.db2.gz QWFWMECWQFGBTF-WEHUKYGOSA-N 1 2 247.342 2.820 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642975 585717689 /nfs/dbraw/zinc/71/76/89/585717689.db2.gz HCGIWPVZOCQDOF-NEPJUHHUSA-N 1 2 236.359 2.896 20 0 BFADLO C[C@@H]([NH2+]c1ccc(OCCO)cc1)C1CCC1 ZINC000777687828 585718655 /nfs/dbraw/zinc/71/86/55/585718655.db2.gz MUSJMNGVFIXDCW-LLVKDONJSA-N 1 2 235.327 2.658 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccnc2Cl)C[C@H]1F ZINC000778229978 585728200 /nfs/dbraw/zinc/72/82/00/585728200.db2.gz AQHSYFYDPYESPK-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@H]1F ZINC000778229978 585728201 /nfs/dbraw/zinc/72/82/01/585728201.db2.gz AQHSYFYDPYESPK-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1F ZINC000778231343 585728574 /nfs/dbraw/zinc/72/85/74/585728574.db2.gz DXZJYOSBFSZFMV-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1F ZINC000778231343 585728575 /nfs/dbraw/zinc/72/85/75/585728575.db2.gz DXZJYOSBFSZFMV-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000780740804 585784102 /nfs/dbraw/zinc/78/41/02/585784102.db2.gz HDYNMKVEDOIIRH-WCQYABFASA-N 1 2 247.338 2.849 20 0 BFADLO CC/C(C)=C(/C)C(=O)NCCCCn1cc[nH+]c1 ZINC000780939017 585786924 /nfs/dbraw/zinc/78/69/24/585786924.db2.gz GSNJVJWESYOSCX-SEYXRHQNSA-N 1 2 249.358 2.526 20 0 BFADLO Cc1cc([NH2+][C@@H](C)C2CC2)ccc1OCCO ZINC000782785592 585824440 /nfs/dbraw/zinc/82/44/40/585824440.db2.gz ZBEBKNNOUQQTAC-NSHDSACASA-N 1 2 235.327 2.577 20 0 BFADLO CC(C)CCC[NH2+]c1ccc(OCCO)cc1 ZINC000783584471 585837481 /nfs/dbraw/zinc/83/74/81/585837481.db2.gz MYZATLREFSIIJJ-UHFFFAOYSA-N 1 2 237.343 2.906 20 0 BFADLO C[C@H]1CC/C(=C/C(=O)OCCCn2cc[nH+]c2)C1 ZINC000784071244 585848444 /nfs/dbraw/zinc/84/84/44/585848444.db2.gz QPYRXQIALDBLEZ-IXJPEXDMSA-N 1 2 248.326 2.563 20 0 BFADLO O=C(C[C@H]1C=CCCC1)OCCCn1cc[nH+]c1 ZINC000784833453 585866494 /nfs/dbraw/zinc/86/64/94/585866494.db2.gz YTSATESRIOLGDW-ZDUSSCGKSA-N 1 2 248.326 2.563 20 0 BFADLO CCOC1CC([N@H+](C)C/C(Cl)=C/Cl)C1 ZINC000805820345 585897949 /nfs/dbraw/zinc/89/79/49/585897949.db2.gz LAISFRLHRATABA-VURMDHGXSA-N 1 2 238.158 2.805 20 0 BFADLO CCOC1CC([N@@H+](C)C/C(Cl)=C/Cl)C1 ZINC000805820345 585897950 /nfs/dbraw/zinc/89/79/50/585897950.db2.gz LAISFRLHRATABA-VURMDHGXSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1c([C@H](C)[NH2+]Cc2ccon2)cnn1C(C)C ZINC000786914001 585898579 /nfs/dbraw/zinc/89/85/79/585898579.db2.gz FDWBWHSEUDVADT-JTQLQIEISA-N 1 2 248.330 2.611 20 0 BFADLO FCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000805841222 585911559 /nfs/dbraw/zinc/91/15/59/585911559.db2.gz KCCYITVEBNOMKF-UHFFFAOYSA-N 1 2 232.302 2.817 20 0 BFADLO FCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000805841222 585911560 /nfs/dbraw/zinc/91/15/60/585911560.db2.gz KCCYITVEBNOMKF-UHFFFAOYSA-N 1 2 232.302 2.817 20 0 BFADLO Nc1cc(COC(=O)CC2CCCCC2)cc[nH+]1 ZINC000787571081 585911942 /nfs/dbraw/zinc/91/19/42/585911942.db2.gz IOSHBUXTZDLALH-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO COc1cc(C)ccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000787758371 585915502 /nfs/dbraw/zinc/91/55/02/585915502.db2.gz FIDNZKIXQAKEKW-SNVBAGLBSA-N 1 2 231.299 2.900 20 0 BFADLO CC1=CC[C@@H]([NH2+]c2ccc(OCCO)cc2)CC1 ZINC000788732267 585929900 /nfs/dbraw/zinc/92/99/00/585929900.db2.gz BLPCQDHLMSLDQM-CYBMUJFWSA-N 1 2 247.338 2.968 20 0 BFADLO Fc1ccc(F)c(-c2cn3c([nH+]2)CCC3)c1 ZINC000788866189 585931541 /nfs/dbraw/zinc/93/15/41/585931541.db2.gz DMLZVVVGXXJMRI-UHFFFAOYSA-N 1 2 220.222 2.775 20 0 BFADLO COc1cc(C)ccc1-c1cn2c([nH+]1)CCC2 ZINC000788867201 585931666 /nfs/dbraw/zinc/93/16/66/585931666.db2.gz MTTMSBJUKPWTNU-UHFFFAOYSA-N 1 2 228.295 2.813 20 0 BFADLO COc1cccc(-c2cn3c([nH+]2)CCC3)c1 ZINC000788867594 585931752 /nfs/dbraw/zinc/93/17/52/585931752.db2.gz PQMZLEHESQYFPF-UHFFFAOYSA-N 1 2 214.268 2.505 20 0 BFADLO Cc1ccc(N[C@H](C)c2cc[nH]c(=O)c2)c[nH+]1 ZINC000791138412 585974634 /nfs/dbraw/zinc/97/46/34/585974634.db2.gz VRYAALQBKPHBSQ-SNVBAGLBSA-N 1 2 229.283 2.664 20 0 BFADLO CC1(C)CCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149384 585996747 /nfs/dbraw/zinc/99/67/47/585996747.db2.gz GZFSHTZCXBRQED-LLVKDONJSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1ccc(CCCNc2ccc(F)nc2)c[nH+]1 ZINC000793059773 586009428 /nfs/dbraw/zinc/00/94/28/586009428.db2.gz POEZYOSFJMDFBB-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)o1 ZINC000794829937 586050074 /nfs/dbraw/zinc/05/00/74/586050074.db2.gz UPWHTCFSAJXUQF-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000795654149 586090005 /nfs/dbraw/zinc/09/00/05/586090005.db2.gz TWQBEYVFCDVESV-ZDUSSCGKSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000795654149 586090006 /nfs/dbraw/zinc/09/00/06/586090006.db2.gz TWQBEYVFCDVESV-ZDUSSCGKSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1ccc(COC(=O)CCC(F)F)c(C)[nH+]1 ZINC000796012523 586096376 /nfs/dbraw/zinc/09/63/76/586096376.db2.gz XLOCPHBAKAZPMF-UHFFFAOYSA-N 1 2 243.253 2.787 20 0 BFADLO CC1(C)C[N@H+](Cc2c[nH]cn2)[C@@H]1c1ccccc1 ZINC000796450910 586103856 /nfs/dbraw/zinc/10/38/56/586103856.db2.gz TYKITLICIATLKP-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@@H+](Cc2c[nH]cn2)[C@@H]1c1ccccc1 ZINC000796450910 586103857 /nfs/dbraw/zinc/10/38/57/586103857.db2.gz TYKITLICIATLKP-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000796450910 586103858 /nfs/dbraw/zinc/10/38/58/586103858.db2.gz TYKITLICIATLKP-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000796450910 586103859 /nfs/dbraw/zinc/10/38/59/586103859.db2.gz TYKITLICIATLKP-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO CCC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccn1 ZINC000796745866 586111369 /nfs/dbraw/zinc/11/13/69/586111369.db2.gz DOFIQXQRHVCGQJ-WCQYABFASA-N 1 2 244.342 2.997 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000796775204 586112309 /nfs/dbraw/zinc/11/23/09/586112309.db2.gz JNRSTPWCHUPYSY-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000796918006 586117099 /nfs/dbraw/zinc/11/70/99/586117099.db2.gz KYBQWIYVNLWXTR-GJZGRUSLSA-N 1 2 249.354 2.904 20 0 BFADLO CC1=CCC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000797822960 586132454 /nfs/dbraw/zinc/13/24/54/586132454.db2.gz VQSIPCLGAJXKHN-UHFFFAOYSA-N 1 2 245.248 2.511 20 0 BFADLO CC1=CCC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000797822960 586132455 /nfs/dbraw/zinc/13/24/55/586132455.db2.gz VQSIPCLGAJXKHN-UHFFFAOYSA-N 1 2 245.248 2.511 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccnc(F)c2)nc1 ZINC000859322396 589031714 /nfs/dbraw/zinc/03/17/14/589031714.db2.gz SACVHXSSAFIOJD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccnc(F)c2)nc1 ZINC000859322396 589031715 /nfs/dbraw/zinc/03/17/15/589031715.db2.gz SACVHXSSAFIOJD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(Cl)nc(CNc2cc(C)[nH+]cn2)c1 ZINC000799964871 586203913 /nfs/dbraw/zinc/20/39/13/586203913.db2.gz LEAJMULJAKWKIX-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cscn1 ZINC000859433302 589036712 /nfs/dbraw/zinc/03/67/12/589036712.db2.gz AFSJEGAJVPKPCD-AOOOYVTPSA-N 1 2 244.310 2.905 20 0 BFADLO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cscn1 ZINC000859433302 589036714 /nfs/dbraw/zinc/03/67/14/589036714.db2.gz AFSJEGAJVPKPCD-AOOOYVTPSA-N 1 2 244.310 2.905 20 0 BFADLO CC(C)(C)CCCCC(=O)NC1=[NH+]CCS1 ZINC000804184264 586385490 /nfs/dbraw/zinc/38/54/90/586385490.db2.gz SGBGCYBTHBXMII-UHFFFAOYSA-N 1 2 242.388 2.812 20 0 BFADLO Cl/C=C(\Cl)C[NH+](C1CC1)C1CC1 ZINC000859627905 589050074 /nfs/dbraw/zinc/05/00/74/589050074.db2.gz QBZDEMZNPYNWNT-ALCCZGGFSA-N 1 2 206.116 2.932 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000806157360 586406234 /nfs/dbraw/zinc/40/62/34/586406234.db2.gz QTYULORSKGGEEZ-BXUZGUMPSA-N 1 2 235.327 2.658 20 0 BFADLO Clc1nc(C[NH+](C2CC2)C2CC2)cs1 ZINC000859625954 589050342 /nfs/dbraw/zinc/05/03/42/589050342.db2.gz FMDWPJVUZXKNCP-UHFFFAOYSA-N 1 2 228.748 2.923 20 0 BFADLO COc1cc(C)cc(NCc2cn(C)c[nH+]2)c1C ZINC000808409881 586471561 /nfs/dbraw/zinc/47/15/61/586471561.db2.gz BBUSIUICYKKOIR-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1cn[nH]c1CNc1cc(C2CC2)cc[nH+]1 ZINC000810176179 586535859 /nfs/dbraw/zinc/53/58/59/586535859.db2.gz VRBRZZHMBKLFMI-UHFFFAOYSA-N 1 2 228.299 2.603 20 0 BFADLO Cc1cc([NH2+][C@@H]2C[C@@H](C)[C@H]2C)ccc1OCCO ZINC000813867193 586608451 /nfs/dbraw/zinc/60/84/51/586608451.db2.gz NKJOZOCBEHTOOY-MPKXVKKWSA-N 1 2 249.354 2.823 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)o1 ZINC000815164008 586672044 /nfs/dbraw/zinc/67/20/44/586672044.db2.gz YCTRLRIIYBKPSC-NXEZZACHSA-N 1 2 208.305 2.638 20 0 BFADLO CC(C)c1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)o1 ZINC000815164008 586672046 /nfs/dbraw/zinc/67/20/46/586672046.db2.gz YCTRLRIIYBKPSC-NXEZZACHSA-N 1 2 208.305 2.638 20 0 BFADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000815606500 586688791 /nfs/dbraw/zinc/68/87/91/586688791.db2.gz YRMRIFKLKXDLPR-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CSc1ccc(C[N@H+](C)CCF)s1 ZINC000816640098 586747430 /nfs/dbraw/zinc/74/74/30/586747430.db2.gz UEPZFWAOBDYKOM-UHFFFAOYSA-N 1 2 219.350 2.871 20 0 BFADLO CSc1ccc(C[N@@H+](C)CCF)s1 ZINC000816640098 586747432 /nfs/dbraw/zinc/74/74/32/586747432.db2.gz UEPZFWAOBDYKOM-UHFFFAOYSA-N 1 2 219.350 2.871 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1occc1Br ZINC000816648889 586747833 /nfs/dbraw/zinc/74/78/33/586747833.db2.gz QJQGMZRWFMZZJM-JGVFFNPUSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1occc1Br ZINC000816648889 586747837 /nfs/dbraw/zinc/74/78/37/586747837.db2.gz QJQGMZRWFMZZJM-JGVFFNPUSA-N 1 2 244.132 2.882 20 0 BFADLO Clc1cscc1C[NH+]1CC2(C1)CCOC2 ZINC000816671407 586753881 /nfs/dbraw/zinc/75/38/81/586753881.db2.gz WVZZWNYOGSCERP-UHFFFAOYSA-N 1 2 243.759 2.624 20 0 BFADLO CC(C)c1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816819147 586766085 /nfs/dbraw/zinc/76/60/85/586766085.db2.gz VTJCOZIPMKSGLQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO c1cncc(N[C@@H]2CCc3ccc[nH+]c3CC2)c1 ZINC000817578414 586812704 /nfs/dbraw/zinc/81/27/04/586812704.db2.gz KEHZMTVIAZJSSX-CYBMUJFWSA-N 1 2 239.322 2.836 20 0 BFADLO ClC1(Cl)C[C@@H]1CCOCc1[nH]cc[nH+]1 ZINC000818086721 586871935 /nfs/dbraw/zinc/87/19/35/586871935.db2.gz GTHGKJGXKDCBHU-ZETCQYMHSA-N 1 2 235.114 2.510 20 0 BFADLO C[C@@H]1C[NH+]=C(NC(=O)CC2CCCCC2)S1 ZINC000819763350 586990974 /nfs/dbraw/zinc/99/09/74/586990974.db2.gz OECWXCPQDAOCQU-SECBINFHSA-N 1 2 240.372 2.564 20 0 BFADLO CCCC(CCC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819776086 586992250 /nfs/dbraw/zinc/99/22/50/586992250.db2.gz KLGCHTXRXKDRIQ-VIFPVBQESA-N 1 2 242.388 2.810 20 0 BFADLO CCC[C@H](CC)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000821515424 587124057 /nfs/dbraw/zinc/12/40/57/587124057.db2.gz GRZCDAPAUQBPLJ-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO C[C@H]1C[C@H](NC(=O)CCC2(C)CC2)c2[nH+]ccn21 ZINC000821786207 587137872 /nfs/dbraw/zinc/13/78/72/587137872.db2.gz JYVOKXQONYYNGO-QWRGUYRKSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)CCC2(C)CC2)c2[nH+]ccn21 ZINC000821786206 587138105 /nfs/dbraw/zinc/13/81/05/587138105.db2.gz JYVOKXQONYYNGO-MNOVXSKESA-N 1 2 247.342 2.585 20 0 BFADLO CCC[C@@H](CC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000822008809 587149203 /nfs/dbraw/zinc/14/92/03/587149203.db2.gz WRBWSLRCQSHLRH-GHMZBOCLSA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@H](C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822319932 587162162 /nfs/dbraw/zinc/16/21/62/587162162.db2.gz PGZXNBPLPFDRRM-VIFPVBQESA-N 1 2 238.331 2.797 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@@H+]1Cc2cccnc2C1 ZINC000823011438 587198077 /nfs/dbraw/zinc/19/80/77/587198077.db2.gz BJEKLSXZEDOPIW-SECBINFHSA-N 1 2 243.137 2.591 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@H+]1Cc2cccnc2C1 ZINC000823011438 587198078 /nfs/dbraw/zinc/19/80/78/587198078.db2.gz BJEKLSXZEDOPIW-SECBINFHSA-N 1 2 243.137 2.591 20 0 BFADLO CCC[C@H](CC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000823381104 587218869 /nfs/dbraw/zinc/21/88/69/587218869.db2.gz IZKDCXRRITXJDM-JTQLQIEISA-N 1 2 237.347 2.587 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000823390910 587219575 /nfs/dbraw/zinc/21/95/75/587219575.db2.gz PAPCPJFNWORYII-GRYCIOLGSA-N 1 2 249.358 2.831 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(F)nc1C)C(F)F ZINC000824510561 587272634 /nfs/dbraw/zinc/27/26/34/587272634.db2.gz WEXYYWQONDJNBE-VIFPVBQESA-N 1 2 232.249 2.662 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccsc2C)co1 ZINC000825061922 587301752 /nfs/dbraw/zinc/30/17/52/587301752.db2.gz LZVWRMRRDIRPMH-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO CC(C)c1nc(N[C@H]2CCS[C@H]2C)cc[nH+]1 ZINC000826808864 587362927 /nfs/dbraw/zinc/36/29/27/587362927.db2.gz IDFIGSXLPLANMN-UWVGGRQHSA-N 1 2 237.372 2.906 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccoc2)C[C@](C)(C(F)F)O1 ZINC000827962720 587413656 /nfs/dbraw/zinc/41/36/56/587413656.db2.gz RDSYVWHHEPMPNS-JOYOIKCWSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccoc2)C[C@](C)(C(F)F)O1 ZINC000827962720 587413658 /nfs/dbraw/zinc/41/36/58/587413658.db2.gz RDSYVWHHEPMPNS-JOYOIKCWSA-N 1 2 245.269 2.524 20 0 BFADLO CC1=C(C)C[C@H](C(=O)OCCn2cc[nH+]c2)CC1 ZINC000829810674 587518693 /nfs/dbraw/zinc/51/86/93/587518693.db2.gz TUSUPLGLVLQIMZ-CYBMUJFWSA-N 1 2 248.326 2.563 20 0 BFADLO COC[C@@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000832615816 587669548 /nfs/dbraw/zinc/66/95/48/587669548.db2.gz GDRYCWHJYKGGEO-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO COC[C@@H]1CCCC[N@H+]1C/C(Cl)=C/Cl ZINC000832615816 587669549 /nfs/dbraw/zinc/66/95/49/587669549.db2.gz GDRYCWHJYKGGEO-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CCON(Cc1[nH]cc[nH+]1)CC1CCCCC1 ZINC000832786865 587689658 /nfs/dbraw/zinc/68/96/58/587689658.db2.gz JFUNXEARKVSWQF-UHFFFAOYSA-N 1 2 237.347 2.744 20 0 BFADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277197 587704045 /nfs/dbraw/zinc/70/40/45/587704045.db2.gz BGPJLRQYRCKJCR-JQWIXIFHSA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277198 587704183 /nfs/dbraw/zinc/70/41/83/587704183.db2.gz BGPJLRQYRCKJCR-PWSUYJOCSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000834602847 587760451 /nfs/dbraw/zinc/76/04/51/587760451.db2.gz VGEQPWSGPMLQIG-CYBMUJFWSA-N 1 2 245.301 2.565 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)oc1C ZINC000834830473 587768211 /nfs/dbraw/zinc/76/82/11/587768211.db2.gz FCVGISPKZQDZQG-ZYHUDNBSSA-N 1 2 245.326 2.889 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc32)o1 ZINC000834836423 587768406 /nfs/dbraw/zinc/76/84/06/587768406.db2.gz NIJWVDKOKOQYMU-JQWIXIFHSA-N 1 2 245.326 2.834 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2cccc(O)c2)co1 ZINC000834896828 587769698 /nfs/dbraw/zinc/76/96/98/587769698.db2.gz CYQKDMMZEMGZPU-SNVBAGLBSA-N 1 2 246.310 2.793 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccco2)co1 ZINC000834901690 587770045 /nfs/dbraw/zinc/77/00/45/587770045.db2.gz XZQVZSWNOMRRIB-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO CC(C)CCCCC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000837676577 587890297 /nfs/dbraw/zinc/89/02/97/587890297.db2.gz PBYKMMGMYTYCFM-LBPRGKRZSA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)CCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000837826016 587898678 /nfs/dbraw/zinc/89/86/78/587898678.db2.gz CPQUJHKLTJJSQV-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000837851018 587900361 /nfs/dbraw/zinc/90/03/61/587900361.db2.gz ZKJHKNPRGQSSDG-NEPJUHHUSA-N 1 2 248.326 2.533 20 0 BFADLO CCOc1ccc(NCc2[nH+]ccn2C)c(F)c1 ZINC000840977532 587932953 /nfs/dbraw/zinc/93/29/53/587932953.db2.gz VWSWFAZGMIXULD-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)CC(C)C ZINC000842032710 587991015 /nfs/dbraw/zinc/99/10/15/587991015.db2.gz HELORXRJYRBZNV-NEPJUHHUSA-N 1 2 244.379 2.981 20 0 BFADLO CO[C@@H](C)C(N)=[NH+]OC[C@H](C)C1CCCCC1 ZINC000842036920 587992046 /nfs/dbraw/zinc/99/20/46/587992046.db2.gz RHPCAQFAWGKPGC-QWRGUYRKSA-N 1 2 242.363 2.736 20 0 BFADLO NC(=[NH+]OCCC1=CCCCC1)[C@@H]1CCCO1 ZINC000842046631 587992454 /nfs/dbraw/zinc/99/24/54/587992454.db2.gz FONGEWBGTDCVDR-LBPRGKRZSA-N 1 2 238.331 2.554 20 0 BFADLO NC(COc1ccccc1)=[NH+]OCC1=CCCC1 ZINC000842649092 588049048 /nfs/dbraw/zinc/04/90/48/588049048.db2.gz VMZPTMMNYRBEOR-UHFFFAOYSA-N 1 2 246.310 2.674 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)CO1 ZINC000842691523 588053246 /nfs/dbraw/zinc/05/32/46/588053246.db2.gz ZUSFOGNTCZLXOL-SMDDNHRTSA-N 1 2 246.354 2.658 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CO1 ZINC000842691523 588053248 /nfs/dbraw/zinc/05/32/48/588053248.db2.gz ZUSFOGNTCZLXOL-SMDDNHRTSA-N 1 2 246.354 2.658 20 0 BFADLO CC[NH2+]Cc1noc(CCCC[C@@H](C)CC)n1 ZINC000843144965 588083957 /nfs/dbraw/zinc/08/39/57/588083957.db2.gz PXVAWZFMCYXFTN-NSHDSACASA-N 1 2 239.363 2.938 20 0 BFADLO CC[NH2+]Cc1noc(C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000843145154 588087074 /nfs/dbraw/zinc/08/70/74/588087074.db2.gz VSDOJGZEQVWXCA-UWVGGRQHSA-N 1 2 237.347 2.719 20 0 BFADLO C[C@H](CC(=O)OC1CCCCC1)n1cc[nH+]c1 ZINC000844268915 588178428 /nfs/dbraw/zinc/17/84/28/588178428.db2.gz PEGJZKWULQQDCQ-LLVKDONJSA-N 1 2 236.315 2.710 20 0 BFADLO C[C@H](CC(=O)OC[C@H]1CC=CCC1)n1cc[nH+]c1 ZINC000844271868 588178654 /nfs/dbraw/zinc/17/86/54/588178654.db2.gz KYAVHLPWJWHGGD-OLZOCXBDSA-N 1 2 248.326 2.734 20 0 BFADLO OCCCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000844374291 588188092 /nfs/dbraw/zinc/18/80/92/588188092.db2.gz FXWLSKAGBWSKIY-UHFFFAOYSA-N 1 2 235.318 2.660 20 0 BFADLO OCCCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000844374291 588188093 /nfs/dbraw/zinc/18/80/93/588188093.db2.gz FXWLSKAGBWSKIY-UHFFFAOYSA-N 1 2 235.318 2.660 20 0 BFADLO CCC[C@@H](C)c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000844844945 588218202 /nfs/dbraw/zinc/21/82/02/588218202.db2.gz IMWFXYZFVQQCDS-GHMZBOCLSA-N 1 2 248.330 2.973 20 0 BFADLO CC(C)CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284920 588225689 /nfs/dbraw/zinc/22/56/89/588225689.db2.gz PCNDLDULTOATCX-LBPRGKRZSA-N 1 2 238.331 2.814 20 0 BFADLO C[C@@H](CC(=O)OCC1=CCCCC1)n1cc[nH+]c1 ZINC000845286214 588225936 /nfs/dbraw/zinc/22/59/36/588225936.db2.gz NZSIJBQQTIAOED-LBPRGKRZSA-N 1 2 248.326 2.878 20 0 BFADLO CCC/C=C\COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845574553 588233529 /nfs/dbraw/zinc/23/35/29/588233529.db2.gz IKYHDLFJQPMWFE-FJOGCWAESA-N 1 2 236.315 2.734 20 0 BFADLO C[C@@H](CC(=O)O[C@H]1CCC1(C)C)n1cc[nH+]c1 ZINC000845609777 588235940 /nfs/dbraw/zinc/23/59/40/588235940.db2.gz WQKJZKFZXGRPQM-QWRGUYRKSA-N 1 2 236.315 2.566 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)[C@@H](C)CO1 ZINC000845660306 588239954 /nfs/dbraw/zinc/23/99/54/588239954.db2.gz CDRYUAHDPBXTIT-NWDGAFQWSA-N 1 2 249.358 2.604 20 0 BFADLO CC[C@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000845853044 588248035 /nfs/dbraw/zinc/24/80/35/588248035.db2.gz XIRDTIOASQOZMN-NEPJUHHUSA-N 1 2 238.331 2.812 20 0 BFADLO FC1(F)[C@H]2C[N@H+](Cc3ccc(Cl)o3)C[C@H]21 ZINC000846112354 588257257 /nfs/dbraw/zinc/25/72/57/588257257.db2.gz VDRSMFZOONEWCG-OCAPTIKFSA-N 1 2 233.645 2.630 20 0 BFADLO FC1(F)[C@H]2C[N@@H+](Cc3ccc(Cl)o3)C[C@H]21 ZINC000846112354 588257258 /nfs/dbraw/zinc/25/72/58/588257258.db2.gz VDRSMFZOONEWCG-OCAPTIKFSA-N 1 2 233.645 2.630 20 0 BFADLO CC/C(C)=C(/C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846243886 588262365 /nfs/dbraw/zinc/26/23/65/588262365.db2.gz AHHZTSYVODLSJI-KTKRTIGZSA-N 1 2 235.331 2.507 20 0 BFADLO CCO[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000106465061 588283180 /nfs/dbraw/zinc/28/31/80/588283180.db2.gz VULNAUDJEHPENI-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846748422 588284519 /nfs/dbraw/zinc/28/45/19/588284519.db2.gz PRVCLTFFLMKEST-QWRGUYRKSA-N 1 2 235.327 2.704 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@@H]3CCO[C@H](C)C3)ccc2O1 ZINC000846749400 588284718 /nfs/dbraw/zinc/28/47/18/588284718.db2.gz IRERTBNYIUPPKC-JTNHKYCSSA-N 1 2 247.338 2.989 20 0 BFADLO C[C@H]1Cc2cc([NH2+]C[C@@H]3CCCOC3)ccc2O1 ZINC000846749738 588284759 /nfs/dbraw/zinc/28/47/59/588284759.db2.gz PSYZTJFLQCIHCP-RYUDHWBXSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC[C@@H]3CCOC3)ccc2O1 ZINC000846749586 588284811 /nfs/dbraw/zinc/28/48/11/588284811.db2.gz GLIGVVHBVGPULQ-NWDGAFQWSA-N 1 2 247.338 2.849 20 0 BFADLO CCCCC[N@H+](Cc1cnsn1)C(C)C ZINC000846770727 588287385 /nfs/dbraw/zinc/28/73/85/588287385.db2.gz WVYLTHIBWVDCFN-UHFFFAOYSA-N 1 2 227.377 2.939 20 0 BFADLO CCCCC[N@@H+](Cc1cnsn1)C(C)C ZINC000846770727 588287386 /nfs/dbraw/zinc/28/73/86/588287386.db2.gz WVYLTHIBWVDCFN-UHFFFAOYSA-N 1 2 227.377 2.939 20 0 BFADLO CCC[C@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846808530 588289867 /nfs/dbraw/zinc/28/98/67/588289867.db2.gz RIVOFWQTPPFWOR-GFCCVEGCSA-N 1 2 239.388 2.940 20 0 BFADLO CCC[C@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846808530 588289868 /nfs/dbraw/zinc/28/98/68/588289868.db2.gz RIVOFWQTPPFWOR-GFCCVEGCSA-N 1 2 239.388 2.940 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000846809362 588290477 /nfs/dbraw/zinc/29/04/77/588290477.db2.gz ROYQCTLVSRZHGC-ZDUSSCGKSA-N 1 2 249.383 2.860 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000846809362 588290478 /nfs/dbraw/zinc/29/04/78/588290478.db2.gz ROYQCTLVSRZHGC-ZDUSSCGKSA-N 1 2 249.383 2.860 20 0 BFADLO Fc1cc(C[N@H+]2CC=CCC2)cnc1Cl ZINC000846847532 588293123 /nfs/dbraw/zinc/29/31/23/588293123.db2.gz JJGUVKCXPULECM-UHFFFAOYSA-N 1 2 226.682 2.636 20 0 BFADLO Fc1cc(C[N@@H+]2CC=CCC2)cnc1Cl ZINC000846847532 588293124 /nfs/dbraw/zinc/29/31/24/588293124.db2.gz JJGUVKCXPULECM-UHFFFAOYSA-N 1 2 226.682 2.636 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1cnc(Cl)c(F)c1 ZINC000846886432 588295679 /nfs/dbraw/zinc/29/56/79/588295679.db2.gz ZKUQQQYLSQDYQM-YUMQZZPRSA-N 1 2 228.698 2.857 20 0 BFADLO C[N@H+](Cc1cnsn1)C(C)(C)c1ccccc1 ZINC000846895333 588295852 /nfs/dbraw/zinc/29/58/52/588295852.db2.gz OCKIOIRDHGGRHA-UHFFFAOYSA-N 1 2 247.367 2.905 20 0 BFADLO C[N@@H+](Cc1cnsn1)C(C)(C)c1ccccc1 ZINC000846895333 588295853 /nfs/dbraw/zinc/29/58/53/588295853.db2.gz OCKIOIRDHGGRHA-UHFFFAOYSA-N 1 2 247.367 2.905 20 0 BFADLO Cc1ccccc1CC[N@@H+](C)Cc1cnsn1 ZINC000846931440 588297434 /nfs/dbraw/zinc/29/74/34/588297434.db2.gz YJPVNOGBZYRVKA-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1ccccc1CC[N@H+](C)Cc1cnsn1 ZINC000846931440 588297435 /nfs/dbraw/zinc/29/74/35/588297435.db2.gz YJPVNOGBZYRVKA-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO CC(C)[N@H+](Cc1cnsn1)C1CC(C)(C)C1 ZINC000846985867 588300331 /nfs/dbraw/zinc/30/03/31/588300331.db2.gz VTGPXNXNZMQCAI-UHFFFAOYSA-N 1 2 239.388 2.937 20 0 BFADLO CC(C)[N@@H+](Cc1cnsn1)C1CC(C)(C)C1 ZINC000846985867 588300332 /nfs/dbraw/zinc/30/03/32/588300332.db2.gz VTGPXNXNZMQCAI-UHFFFAOYSA-N 1 2 239.388 2.937 20 0 BFADLO CCCCOC(=O)C(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000847061315 588305452 /nfs/dbraw/zinc/30/54/52/588305452.db2.gz MCGOTADTGDOBOP-LBPRGKRZSA-N 1 2 239.359 2.807 20 0 BFADLO COc1ccccc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000848537400 588394212 /nfs/dbraw/zinc/39/42/12/588394212.db2.gz HIWDBCYFARSQKM-GFCCVEGCSA-N 1 2 243.310 2.839 20 0 BFADLO COc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000848537933 588394373 /nfs/dbraw/zinc/39/43/73/588394373.db2.gz POLKZAZADFOYEW-CYBMUJFWSA-N 1 2 243.310 2.839 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000107717491 588400826 /nfs/dbraw/zinc/40/08/26/588400826.db2.gz CYMJVYIXYDWIRP-CQSZACIVSA-N 1 2 229.327 2.825 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000107717489 588401082 /nfs/dbraw/zinc/40/10/82/588401082.db2.gz CYMJVYIXYDWIRP-AWEZNQCLSA-N 1 2 229.327 2.825 20 0 BFADLO CCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848780656 588413500 /nfs/dbraw/zinc/41/35/00/588413500.db2.gz UMFZIDJOGQKXBC-UHFFFAOYSA-N 1 2 232.283 2.600 20 0 BFADLO C[C@@H]([NH2+]C1CC(C)C1)C(=O)OCc1ccccc1 ZINC000848920517 588420723 /nfs/dbraw/zinc/42/07/23/588420723.db2.gz DTMUZKMVHXUGCA-MBHSVXNSSA-N 1 2 247.338 2.506 20 0 BFADLO FC1(F)CC12C[NH+](Cc1ccc(Cl)nc1)C2 ZINC000848922687 588420790 /nfs/dbraw/zinc/42/07/90/588420790.db2.gz XWIAUDWGXHHNER-UHFFFAOYSA-N 1 2 244.672 2.576 20 0 BFADLO CCOc1ccc([NH2+]CC[C@@H](C)O)c(C)c1 ZINC000849313906 588471750 /nfs/dbraw/zinc/47/17/50/588471750.db2.gz RLIRRBVSUMWQRS-LLVKDONJSA-N 1 2 223.316 2.577 20 0 BFADLO COc1cc(C)c([NH2+]CC[C@H](C)O)c(C)c1C ZINC000849317400 588472144 /nfs/dbraw/zinc/47/21/44/588472144.db2.gz WCPXQHWYORGNKH-JTQLQIEISA-N 1 2 237.343 2.803 20 0 BFADLO Cc1c[nH]c(CNc2ccc(F)c([C@H](C)O)c2)[nH+]1 ZINC000850296902 588535297 /nfs/dbraw/zinc/53/52/97/588535297.db2.gz ZIERJNNPVVHGLE-VIFPVBQESA-N 1 2 249.289 2.523 20 0 BFADLO Cc1ccc2cc(C[NH2+]C(CF)CF)[nH]c2c1 ZINC000850313183 588536153 /nfs/dbraw/zinc/53/61/53/588536153.db2.gz RGJPECDSSQPXNF-UHFFFAOYSA-N 1 2 238.281 2.874 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cccnc2Cl)o1 ZINC000850351448 588538296 /nfs/dbraw/zinc/53/82/96/588538296.db2.gz CNODIVWNJRIYAD-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cnon1 ZINC000851727311 588618559 /nfs/dbraw/zinc/61/85/59/588618559.db2.gz JVKXLYMBKAPFRI-LLVKDONJSA-N 1 2 249.339 2.641 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnon1 ZINC000851727311 588618560 /nfs/dbraw/zinc/61/85/60/588618560.db2.gz JVKXLYMBKAPFRI-LLVKDONJSA-N 1 2 249.339 2.641 20 0 BFADLO CC[C@]1(C)COCC[N@@H+]1CC=C(Cl)Cl ZINC000851879167 588639152 /nfs/dbraw/zinc/63/91/52/588639152.db2.gz XRRVPTUIWBHXQZ-SNVBAGLBSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@]1(C)COCC[N@H+]1CC=C(Cl)Cl ZINC000851879167 588639153 /nfs/dbraw/zinc/63/91/53/588639153.db2.gz XRRVPTUIWBHXQZ-SNVBAGLBSA-N 1 2 238.158 2.806 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cnon2)c(C)s1 ZINC000851898031 588641621 /nfs/dbraw/zinc/64/16/21/588641621.db2.gz RIQXGGWREAUNKA-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2cnon2)c1C ZINC000851902566 588642239 /nfs/dbraw/zinc/64/22/39/588642239.db2.gz OARJOEURELDGIH-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccco1 ZINC000851926997 588644619 /nfs/dbraw/zinc/64/46/19/588644619.db2.gz DNVLQLBERRQQGH-VIFPVBQESA-N 1 2 232.283 2.996 20 0 BFADLO CC[C@@]1(C)C[N@H+](CC=C(Cl)Cl)CCO1 ZINC000851971890 588649773 /nfs/dbraw/zinc/64/97/73/588649773.db2.gz LNKDUSLKHWBFRG-JTQLQIEISA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@@]1(C)C[N@@H+](CC=C(Cl)Cl)CCO1 ZINC000851971890 588649774 /nfs/dbraw/zinc/64/97/74/588649774.db2.gz LNKDUSLKHWBFRG-JTQLQIEISA-N 1 2 238.158 2.806 20 0 BFADLO CC1(C)CC[C@@H]1[NH2+]CC(F)(F)Br ZINC000852125370 588665659 /nfs/dbraw/zinc/66/56/59/588665659.db2.gz PXEQHNDEUBQRSK-LURJTMIESA-N 1 2 242.107 2.752 20 0 BFADLO CC(C)(C)c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000852218083 588673545 /nfs/dbraw/zinc/67/35/45/588673545.db2.gz DQVXXUZSHHRBKD-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000852218083 588673546 /nfs/dbraw/zinc/67/35/46/588673546.db2.gz DQVXXUZSHHRBKD-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)CC1=CCCOC1 ZINC000852518398 588687789 /nfs/dbraw/zinc/68/77/89/588687789.db2.gz HDBRXBYKVHWVTI-YHYXMXQVSA-N 1 2 236.142 2.584 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)CC1=CCCOC1 ZINC000852518398 588687790 /nfs/dbraw/zinc/68/77/90/588687790.db2.gz HDBRXBYKVHWVTI-YHYXMXQVSA-N 1 2 236.142 2.584 20 0 BFADLO FCC[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000852532394 588688331 /nfs/dbraw/zinc/68/83/31/588688331.db2.gz HHHIYEOLBIOVSV-QMMMGPOBSA-N 1 2 245.235 2.958 20 0 BFADLO FCC[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000852532394 588688332 /nfs/dbraw/zinc/68/83/32/588688332.db2.gz HHHIYEOLBIOVSV-QMMMGPOBSA-N 1 2 245.235 2.958 20 0 BFADLO CCCCOC(=O)[C@@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000852682581 588695559 /nfs/dbraw/zinc/69/55/59/588695559.db2.gz FTKHGNICQQEPCF-GFCCVEGCSA-N 1 2 241.375 2.887 20 0 BFADLO Cc1c[nH]c(CN(C)c2ccc(C)cc2C)[nH+]1 ZINC000862305595 589200827 /nfs/dbraw/zinc/20/08/27/589200827.db2.gz QWAHFMJOPGMOHF-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862382471 589206636 /nfs/dbraw/zinc/20/66/36/589206636.db2.gz UAVCOVCMLSZAKP-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862382471 589206637 /nfs/dbraw/zinc/20/66/37/589206637.db2.gz UAVCOVCMLSZAKP-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO Cc1csc(C[NH+]2CC(Cc3ccco3)C2)n1 ZINC000862488014 589217438 /nfs/dbraw/zinc/21/74/38/589217438.db2.gz YKDMMXRGJJGTNV-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO Cc1ccc(C(N)=[NH+]OC[C@H]2C[C@@H]2C)cc1F ZINC000863453154 589289020 /nfs/dbraw/zinc/28/90/20/589289020.db2.gz GFIFGVUPFRCOTD-GXSJLCMTSA-N 1 2 236.290 2.637 20 0 BFADLO CC/C=C/CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478963 589291951 /nfs/dbraw/zinc/29/19/51/589291951.db2.gz YUIIVJHVORLSOH-SNAWJCMRSA-N 1 2 240.347 2.800 20 0 BFADLO COC1(C(N)=[NH+]O[C@@H](C)CC(C)C)CCCC1 ZINC000863477691 589292155 /nfs/dbraw/zinc/29/21/55/589292155.db2.gz SNDAGZSLSZZDGJ-NSHDSACASA-N 1 2 242.363 2.879 20 0 BFADLO CC(C)c1[nH+]cc(-c2cncc(F)c2)n1C ZINC000863973393 589330902 /nfs/dbraw/zinc/33/09/02/589330902.db2.gz MNHODJNESLWASL-UHFFFAOYSA-N 1 2 219.263 2.745 20 0 BFADLO Cc1cc(-c2c[nH+]c3n2CCCC3)ccn1 ZINC000863974877 589331209 /nfs/dbraw/zinc/33/12/09/589331209.db2.gz UYYIOPVQBNCRSL-UHFFFAOYSA-N 1 2 213.284 2.590 20 0 BFADLO Cc1c(F)nccc1-c1c[nH+]c2n1CCCC2 ZINC000863977211 589331812 /nfs/dbraw/zinc/33/18/12/589331812.db2.gz WMVUHAMAIWHQJD-UHFFFAOYSA-N 1 2 231.274 2.729 20 0 BFADLO C[C@H]1CCC[C@H](C2C[NH+](Cc3cnc[nH]3)C2)C1 ZINC000864055129 589335824 /nfs/dbraw/zinc/33/58/24/589335824.db2.gz IPUWKAGTSRJPGC-RYUDHWBXSA-N 1 2 233.359 2.668 20 0 BFADLO C[C@@H]1CCC[C@H](C2C[NH+](Cc3cnc[nH]3)C2)C1 ZINC000864055127 589336194 /nfs/dbraw/zinc/33/61/94/589336194.db2.gz IPUWKAGTSRJPGC-NEPJUHHUSA-N 1 2 233.359 2.668 20 0 BFADLO Cc1c[nH]c(C[NH+]2CC([C@@H]3CCC[C@H](C)C3)C2)n1 ZINC000864055891 589336720 /nfs/dbraw/zinc/33/67/20/589336720.db2.gz ZZGZAHPWLYWXRE-WCQYABFASA-N 1 2 247.386 2.976 20 0 BFADLO CC(C)[C@H](Nc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000864092902 589343977 /nfs/dbraw/zinc/34/39/77/589343977.db2.gz BQUWNXCGPFQCNT-HZMBPMFUSA-N 1 2 234.343 2.981 20 0 BFADLO CC(C)[C@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000864092905 589343995 /nfs/dbraw/zinc/34/39/95/589343995.db2.gz BQUWNXCGPFQCNT-YGRLFVJLSA-N 1 2 234.343 2.981 20 0 BFADLO CC[C@H](C)Oc1cccc(NCc2[nH]cc[nH+]2)n1 ZINC000865296007 589419992 /nfs/dbraw/zinc/41/99/92/589419992.db2.gz PWOQJBMSVLWJRC-JTQLQIEISA-N 1 2 246.314 2.594 20 0 BFADLO Cc1noc(CCCn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375893 589428348 /nfs/dbraw/zinc/42/83/48/589428348.db2.gz PKVWKUIOEYCVEN-UHFFFAOYSA-N 1 2 248.330 2.505 20 0 BFADLO Cc1nc(C)c(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC000865376276 589428390 /nfs/dbraw/zinc/42/83/90/589428390.db2.gz HFRMUUOKZRLBAO-UHFFFAOYSA-N 1 2 233.315 2.834 20 0 BFADLO Cc1noc(C)c1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374720 589428436 /nfs/dbraw/zinc/42/84/36/589428436.db2.gz JHJVTILJOIPLGG-UHFFFAOYSA-N 1 2 233.315 2.834 20 0 BFADLO CCOC(=O)CCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376049 589428549 /nfs/dbraw/zinc/42/85/49/589428549.db2.gz WWEZVGBWASCKTL-UHFFFAOYSA-N 1 2 238.331 2.524 20 0 BFADLO CC(C)(C)c1cn(CCC[C@@H]2CCOC2)c[nH+]1 ZINC000865376693 589428705 /nfs/dbraw/zinc/42/87/05/589428705.db2.gz ZHBXWLIRXGGYLX-GFCCVEGCSA-N 1 2 236.359 2.997 20 0 BFADLO CCc1csc(SCCn2cc[nH+]c2)n1 ZINC000865387042 589430561 /nfs/dbraw/zinc/43/05/61/589430561.db2.gz PMDBGUDKHFPSOQ-UHFFFAOYSA-N 1 2 239.369 2.694 20 0 BFADLO CC(C)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865401215 589433223 /nfs/dbraw/zinc/43/32/23/589433223.db2.gz ZVRJOFISUYMKRU-UHFFFAOYSA-N 1 2 224.695 2.679 20 0 BFADLO COc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865421720 589434664 /nfs/dbraw/zinc/43/46/64/589434664.db2.gz AUVAJJROAFITFB-UHFFFAOYSA-N 1 2 243.310 2.839 20 0 BFADLO Fc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000865421825 589434703 /nfs/dbraw/zinc/43/47/03/589434703.db2.gz DDFCZFCIDVYCEA-UHFFFAOYSA-N 1 2 231.274 2.969 20 0 BFADLO C[C@@H]1C[C@H]1CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865442540 589436282 /nfs/dbraw/zinc/43/62/82/589436282.db2.gz NTNIQSPLJFWIKN-RQJHMYQMSA-N 1 2 236.706 2.679 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2CCn3ccnc32)c(F)c1 ZINC000865582309 589448720 /nfs/dbraw/zinc/44/87/20/589448720.db2.gz GBDFUIOOBALORS-CYBMUJFWSA-N 1 2 245.301 2.565 20 0 BFADLO CC(C)Cc1cc(NC2CC=CC2)nc[nH+]1 ZINC000865614016 589451575 /nfs/dbraw/zinc/45/15/75/589451575.db2.gz WOJBZDBOAXJGSX-UHFFFAOYSA-N 1 2 217.316 2.806 20 0 BFADLO CC(C)Cc1cc(NC[C@H]2CCC=CO2)nc[nH+]1 ZINC000865709290 589457624 /nfs/dbraw/zinc/45/76/24/589457624.db2.gz SGUADTWAJKZBTM-CYBMUJFWSA-N 1 2 247.342 2.780 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000865728412 589458965 /nfs/dbraw/zinc/45/89/65/589458965.db2.gz CZPKFCGOKOPGOK-DGCLKSJQSA-N 1 2 249.358 2.512 20 0 BFADLO CC[C@@H]1CCN1c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865828323 589463674 /nfs/dbraw/zinc/46/36/74/589463674.db2.gz OYXHBRMIHSRVIT-SSDOTTSWSA-N 1 2 236.706 2.552 20 0 BFADLO CC(C)Cc1cc(NCC[C@@H](C)F)nc[nH+]1 ZINC000865834199 589463995 /nfs/dbraw/zinc/46/39/95/589463995.db2.gz OMDKQLDTXLFRON-SNVBAGLBSA-N 1 2 225.311 2.835 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000865861718 589465698 /nfs/dbraw/zinc/46/56/98/589465698.db2.gz YUPWQTXPKFZKPY-WFASDCNBSA-N 1 2 244.338 2.585 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2CCCC[C@H]2F)[nH+]c1 ZINC000865878225 589467008 /nfs/dbraw/zinc/46/70/08/589467008.db2.gz DRKOHSOJNNNKCB-MVWJERBFSA-N 1 2 238.306 2.828 20 0 BFADLO C[C@@H](O)c1ccc(N2CC(C)(C)C[C@@H]2C)[nH+]c1 ZINC000865882191 589467146 /nfs/dbraw/zinc/46/71/46/589467146.db2.gz RTWPBDYTNICWFU-WDEREUQCSA-N 1 2 234.343 2.760 20 0 BFADLO C[C@@H](O)c1ccc(N2CC(C)(C)C[C@H]2C)[nH+]c1 ZINC000865882186 589467234 /nfs/dbraw/zinc/46/72/34/589467234.db2.gz RTWPBDYTNICWFU-GHMZBOCLSA-N 1 2 234.343 2.760 20 0 BFADLO Cc1cc(N2CCC=C(Cl)C2)nc(C2CC2)[nH+]1 ZINC000865905914 589468013 /nfs/dbraw/zinc/46/80/13/589468013.db2.gz AWNHFIBDFYQMRZ-UHFFFAOYSA-N 1 2 249.745 2.995 20 0 BFADLO CO[C@@H]1CC[C@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000866072003 589474890 /nfs/dbraw/zinc/47/48/90/589474890.db2.gz RTCSFNUYTFDQPM-WDEREUQCSA-N 1 2 245.326 2.567 20 0 BFADLO CC(C)(F)C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866408962 589491443 /nfs/dbraw/zinc/49/14/43/589491443.db2.gz GIOTWWHEHLFHDL-CMPLNLGQSA-N 1 2 241.281 2.796 20 0 BFADLO C[C@@H](Nc1ccc(N(C)C)c(F)c1)c1[nH]cc[nH+]1 ZINC000866625557 589505911 /nfs/dbraw/zinc/50/59/11/589505911.db2.gz LBNSZEGAEJTFKB-SECBINFHSA-N 1 2 248.305 2.788 20 0 BFADLO COC[C@@H]([NH2+]Cc1cc(C)oc1C)c1ccco1 ZINC000121203216 589517789 /nfs/dbraw/zinc/51/77/89/589517789.db2.gz GXWHFCWMQPZBDU-CYBMUJFWSA-N 1 2 249.310 2.967 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(OCCO)c(C)c1 ZINC000122509582 589595663 /nfs/dbraw/zinc/59/56/63/589595663.db2.gz AJXNZDPJMAXROF-LLVKDONJSA-N 1 2 237.343 2.824 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(Cl)nc1 ZINC000122824512 589634869 /nfs/dbraw/zinc/63/48/69/589634869.db2.gz KZQMWEHNWJCCEE-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CSCC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000123170431 589671137 /nfs/dbraw/zinc/67/11/37/589671137.db2.gz ORGUGXCSKNAKHU-SECBINFHSA-N 1 2 237.372 2.908 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1CCCOC1 ZINC000872082319 589866381 /nfs/dbraw/zinc/86/63/81/589866381.db2.gz UMWCFRDUAKXKLB-OPRDCNLKSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H]([NH2+]Cc1nonc1C)c1cccc(F)c1 ZINC000872137742 589879838 /nfs/dbraw/zinc/87/98/38/589879838.db2.gz VWQQCJFBNRYICM-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO CCC1(CC)CCCN1c1cc(C)[nH+]cn1 ZINC000872766191 589966882 /nfs/dbraw/zinc/96/68/82/589966882.db2.gz VPDYPVOPGJEXDP-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO CCC[C@@H](CC)C(=O)OCCCn1cc[nH+]c1 ZINC000873420575 590042368 /nfs/dbraw/zinc/04/23/68/590042368.db2.gz MBWLRYKRJRAHHS-GFCCVEGCSA-N 1 2 238.331 2.643 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000874461860 590112626 /nfs/dbraw/zinc/11/26/26/590112626.db2.gz UUKBSGOBFIEYGU-NSHDSACASA-N 1 2 220.316 2.577 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000875692209 590168362 /nfs/dbraw/zinc/16/83/62/590168362.db2.gz MIUQPUWLRBNTIF-FTYKPCCVSA-N 1 2 244.338 2.929 20 0 BFADLO C[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876636679 590224525 /nfs/dbraw/zinc/22/45/25/590224525.db2.gz KKYFCSUXXRDDAC-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876636679 590224526 /nfs/dbraw/zinc/22/45/26/590224526.db2.gz KKYFCSUXXRDDAC-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO COC[C@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000126095013 590229583 /nfs/dbraw/zinc/22/95/83/590229583.db2.gz QBXAFBCMCCHSSJ-AWEZNQCLSA-N 1 2 234.343 2.590 20 0 BFADLO CC(C)C1(C[NH2+]c2ccc(OCCO)cc2)CC1 ZINC000876858275 590250086 /nfs/dbraw/zinc/25/00/86/590250086.db2.gz RCUAVZQIZPCEFN-UHFFFAOYSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1ccc(NC[C@@H]2CC2(Cl)Cl)c[nH+]1 ZINC000877097473 590282201 /nfs/dbraw/zinc/28/22/01/590282201.db2.gz GFWRDIHYIVDHDL-QMMMGPOBSA-N 1 2 231.126 2.996 20 0 BFADLO Cc1ccc(NCc2ccc(Cl)nn2)c(C)[nH+]1 ZINC000877116107 590288573 /nfs/dbraw/zinc/28/85/73/590288573.db2.gz QSDWMKTUQYGMQC-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C(CF)CF ZINC000877559817 590359227 /nfs/dbraw/zinc/35/92/27/590359227.db2.gz WZKYWFMSKFOSTN-MFKMUULPSA-N 1 2 243.297 2.660 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(N(C)C)c(F)c1 ZINC000877773434 590422226 /nfs/dbraw/zinc/42/22/26/590422226.db2.gz OSNOTHQRCXDFCP-JTQLQIEISA-N 1 2 240.322 2.586 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nocc2C)o1 ZINC000877933131 590451444 /nfs/dbraw/zinc/45/14/44/590451444.db2.gz FVTYANNSWLITMC-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nocc2C)o1 ZINC000877933131 590451446 /nfs/dbraw/zinc/45/14/46/590451446.db2.gz FVTYANNSWLITMC-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[N@H+](Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000877966325 590460282 /nfs/dbraw/zinc/46/02/82/590460282.db2.gz HAWGEFGWHSFAPE-UHFFFAOYSA-N 1 2 234.343 2.784 20 0 BFADLO C[N@@H+](Cc1noc2c1CC(C)(C)CC2)C1CC1 ZINC000877966325 590460283 /nfs/dbraw/zinc/46/02/83/590460283.db2.gz HAWGEFGWHSFAPE-UHFFFAOYSA-N 1 2 234.343 2.784 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccoc1C ZINC000877992571 590468111 /nfs/dbraw/zinc/46/81/11/590468111.db2.gz WAVBODJNWWAFBW-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccoc1C ZINC000877992571 590468113 /nfs/dbraw/zinc/46/81/13/590468113.db2.gz WAVBODJNWWAFBW-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878032549 590475721 /nfs/dbraw/zinc/47/57/21/590475721.db2.gz LCTXFGMJWGZXMT-SDDRHHMPSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878032549 590475723 /nfs/dbraw/zinc/47/57/23/590475723.db2.gz LCTXFGMJWGZXMT-SDDRHHMPSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878032548 590475901 /nfs/dbraw/zinc/47/59/01/590475901.db2.gz LCTXFGMJWGZXMT-GRYCIOLGSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878032548 590475902 /nfs/dbraw/zinc/47/59/02/590475902.db2.gz LCTXFGMJWGZXMT-GRYCIOLGSA-N 1 2 247.329 2.921 20 0 BFADLO COCC[N@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878050982 590482254 /nfs/dbraw/zinc/48/22/54/590482254.db2.gz CRNRERKZGDBXFJ-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO COCC[N@@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878050982 590482256 /nfs/dbraw/zinc/48/22/56/590482256.db2.gz CRNRERKZGDBXFJ-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000878174372 590514911 /nfs/dbraw/zinc/51/49/11/590514911.db2.gz AIHNBAUFCJYUHQ-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000878174372 590514915 /nfs/dbraw/zinc/51/49/15/590514915.db2.gz AIHNBAUFCJYUHQ-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO c1cn(C[C@H]2CC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000878207560 590524084 /nfs/dbraw/zinc/52/40/84/590524084.db2.gz KPWXEPLCOPWAEF-ZIAGYGMSSA-N 1 2 228.295 2.803 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1C[C@@H](OC)C1)C(F)(F)F ZINC000878256428 590529672 /nfs/dbraw/zinc/52/96/72/590529672.db2.gz AKVRMNGOYJXLPL-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1[nH]c(CN(C)OCc2ccccc2)[nH+]c1C ZINC000878293505 590535407 /nfs/dbraw/zinc/53/54/07/590535407.db2.gz KZJLLQWFAWUXFG-UHFFFAOYSA-N 1 2 245.326 2.590 20 0 BFADLO CC1=CC[N@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878300148 590537544 /nfs/dbraw/zinc/53/75/44/590537544.db2.gz DOSURGUPKXFVJI-UHFFFAOYSA-N 1 2 232.327 2.705 20 0 BFADLO CC1=CC[N@@H+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878300148 590537546 /nfs/dbraw/zinc/53/75/46/590537546.db2.gz DOSURGUPKXFVJI-UHFFFAOYSA-N 1 2 232.327 2.705 20 0 BFADLO CCC(F)(F)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000878338505 590550871 /nfs/dbraw/zinc/55/08/71/590550871.db2.gz WKVSIQNTPGCNDR-SECBINFHSA-N 1 2 229.274 2.592 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1scnc1Cl ZINC000878532272 590587138 /nfs/dbraw/zinc/58/71/38/590587138.db2.gz CWYPGPTXQJTUKT-BQBZGAKWSA-N 1 2 216.737 2.779 20 0 BFADLO C[N@H+](CCCC1CC1)Cc1noc(C2CC2)n1 ZINC000878715243 590615298 /nfs/dbraw/zinc/61/52/98/590615298.db2.gz JNLBBNNZJVIJTQ-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@@H+](CCCC1CC1)Cc1noc(C2CC2)n1 ZINC000878715243 590615299 /nfs/dbraw/zinc/61/52/99/590615299.db2.gz JNLBBNNZJVIJTQ-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1cnccc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790747 590622636 /nfs/dbraw/zinc/62/26/36/590622636.db2.gz VYYWETRXCQIMIV-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cnccc1C[N@H+]1CCC=C(Cl)C1 ZINC000878790747 590622637 /nfs/dbraw/zinc/62/26/37/590622637.db2.gz VYYWETRXCQIMIV-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CCC=C(Cl)C2)o1 ZINC000878791095 590623486 /nfs/dbraw/zinc/62/34/86/590623486.db2.gz DVZQVSXCZLKNHK-UHFFFAOYSA-N 1 2 226.707 2.620 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CCC=C(Cl)C2)o1 ZINC000878791095 590623488 /nfs/dbraw/zinc/62/34/88/590623488.db2.gz DVZQVSXCZLKNHK-UHFFFAOYSA-N 1 2 226.707 2.620 20 0 BFADLO CCc1noc(C)c1C[N@@H+]1CCC=C(Cl)C1 ZINC000878791637 590623561 /nfs/dbraw/zinc/62/35/61/590623561.db2.gz CAPZCTQPMYKVHQ-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO CCc1noc(C)c1C[N@H+]1CCC=C(Cl)C1 ZINC000878791637 590623563 /nfs/dbraw/zinc/62/35/63/590623563.db2.gz CAPZCTQPMYKVHQ-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO Cc1noc(C)c1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791465 590623712 /nfs/dbraw/zinc/62/37/12/590623712.db2.gz GCPNPRWVWZXYGO-UHFFFAOYSA-N 1 2 240.734 2.662 20 0 BFADLO Cc1noc(C)c1CC[N@H+]1CCC=C(Cl)C1 ZINC000878791465 590623714 /nfs/dbraw/zinc/62/37/14/590623714.db2.gz GCPNPRWVWZXYGO-UHFFFAOYSA-N 1 2 240.734 2.662 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878804247 590625217 /nfs/dbraw/zinc/62/52/17/590625217.db2.gz NWUBSENKXSYFBQ-SDDRHHMPSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000878804247 590625218 /nfs/dbraw/zinc/62/52/18/590625218.db2.gz NWUBSENKXSYFBQ-SDDRHHMPSA-N 1 2 245.313 2.675 20 0 BFADLO Cl/C=C(/Cl)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876794 590638380 /nfs/dbraw/zinc/63/83/80/590638380.db2.gz UNXAAKOACZMARI-LLGDCAAFSA-N 1 2 246.141 2.866 20 0 BFADLO Cl/C=C(/Cl)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876794 590638383 /nfs/dbraw/zinc/63/83/83/590638383.db2.gz UNXAAKOACZMARI-LLGDCAAFSA-N 1 2 246.141 2.866 20 0 BFADLO CO[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC000878968743 590661214 /nfs/dbraw/zinc/66/12/14/590661214.db2.gz ZYSCBYREQKFYDA-HNNXBMFYSA-N 1 2 249.354 2.615 20 0 BFADLO CO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC000878968743 590661218 /nfs/dbraw/zinc/66/12/18/590661218.db2.gz ZYSCBYREQKFYDA-HNNXBMFYSA-N 1 2 249.354 2.615 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000879188954 590712229 /nfs/dbraw/zinc/71/22/29/590712229.db2.gz UIBDQORDBRGCOF-UHFFFAOYSA-N 1 2 247.317 2.820 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000879188954 590712230 /nfs/dbraw/zinc/71/22/30/590712230.db2.gz UIBDQORDBRGCOF-UHFFFAOYSA-N 1 2 247.317 2.820 20 0 BFADLO C[C@H](O)CCC[N@@H+](C)c1cccc2cc[nH]c21 ZINC000879344649 590750600 /nfs/dbraw/zinc/75/06/00/590750600.db2.gz WCJQYROOHMKBGI-NSHDSACASA-N 1 2 232.327 2.765 20 0 BFADLO C[C@H](O)CCC[N@H+](C)c1cccc2cc[nH]c21 ZINC000879344649 590750596 /nfs/dbraw/zinc/75/05/96/590750596.db2.gz WCJQYROOHMKBGI-NSHDSACASA-N 1 2 232.327 2.765 20 0 BFADLO C=C/C=C/CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000879524846 590789295 /nfs/dbraw/zinc/78/92/95/590789295.db2.gz DADSUUVXWBKIIT-AATRIKPKSA-N 1 2 245.326 2.952 20 0 BFADLO Cl/C=C(/Cl)C[NH2+][C@H]1CCCn2nccc21 ZINC000879788448 590869636 /nfs/dbraw/zinc/86/96/36/590869636.db2.gz HIGKOFZTJBMUSB-ORZBULNSSA-N 1 2 246.141 2.627 20 0 BFADLO COCC1([N@H+](C)C/C(Cl)=C\Cl)CCC1 ZINC000880186060 590954064 /nfs/dbraw/zinc/95/40/64/590954064.db2.gz OAMGZOSHSGJROU-RMKNXTFCSA-N 1 2 238.158 2.806 20 0 BFADLO COCC1([N@@H+](C)C/C(Cl)=C\Cl)CCC1 ZINC000880186060 590954066 /nfs/dbraw/zinc/95/40/66/590954066.db2.gz OAMGZOSHSGJROU-RMKNXTFCSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)(C)c1cc(C[NH+]2CCC(F)CC2)no1 ZINC000880240210 590974553 /nfs/dbraw/zinc/97/45/53/590974553.db2.gz POQADABRWNVAFA-UHFFFAOYSA-N 1 2 240.322 2.906 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccn(C)n1 ZINC000880376298 591016869 /nfs/dbraw/zinc/01/68/69/591016869.db2.gz FUSHAULUJZXNPZ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccn(C)n1 ZINC000880376298 591016872 /nfs/dbraw/zinc/01/68/72/591016872.db2.gz FUSHAULUJZXNPZ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO Cc1[nH+]cnc(N2C[C@H](C)C[C@@H](C)C2)c1C ZINC000881735833 591268245 /nfs/dbraw/zinc/26/82/45/591268245.db2.gz SAAZWUCNYLSNPL-NXEZZACHSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(NCc2ccsc2)c1C ZINC000881807106 591272477 /nfs/dbraw/zinc/27/24/77/591272477.db2.gz GZHAMASXEHXVTK-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1ccc(CCNc2nc[nH+]c(C)c2C)o1 ZINC000881804108 591272664 /nfs/dbraw/zinc/27/26/64/591272664.db2.gz SSEAMEWHMIDDMZ-UHFFFAOYSA-N 1 2 231.299 2.649 20 0 BFADLO Cc1[nH+]cnc(N[C@H](C)c2cccc(O)c2)c1C ZINC000881900735 591277499 /nfs/dbraw/zinc/27/74/99/591277499.db2.gz ARYWVCUFZPSLHB-LLVKDONJSA-N 1 2 243.310 2.972 20 0 BFADLO CC(C)(C)SCCNc1cc(CO)cc[nH+]1 ZINC000881910265 591278008 /nfs/dbraw/zinc/27/80/08/591278008.db2.gz HNPLNUCHTRCWON-UHFFFAOYSA-N 1 2 240.372 2.518 20 0 BFADLO C[C@H](CNc1cc(CO)cc[nH+]1)C(C)(C)C ZINC000881987333 591285715 /nfs/dbraw/zinc/28/57/15/591285715.db2.gz QYDXXSVZCZGAJX-SNVBAGLBSA-N 1 2 222.332 2.668 20 0 BFADLO C[C@@H](CNc1cc(CO)cc[nH+]1)C(C)(C)C ZINC000881987332 591285757 /nfs/dbraw/zinc/28/57/57/591285757.db2.gz QYDXXSVZCZGAJX-JTQLQIEISA-N 1 2 222.332 2.668 20 0 BFADLO Cc1[nH+]cnc(NCC2(O)CCCCCC2)c1C ZINC000881994069 591286100 /nfs/dbraw/zinc/28/61/00/591286100.db2.gz LXPHIMXBRSUNHP-UHFFFAOYSA-N 1 2 249.358 2.591 20 0 BFADLO CS[C@H]1CC[C@@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882028560 591288733 /nfs/dbraw/zinc/28/87/33/591288733.db2.gz XXXMINLPGAATFT-MNOVXSKESA-N 1 2 237.372 2.789 20 0 BFADLO OCC1(CNc2cc3ccc(F)cc3c[nH+]2)CC1 ZINC000882046822 591291684 /nfs/dbraw/zinc/29/16/84/591291684.db2.gz KUESGLCXQYURJJ-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO CC[C@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882085667 591295137 /nfs/dbraw/zinc/29/51/37/591295137.db2.gz PQSSGXCWIRJYFH-CYBMUJFWSA-N 1 2 219.332 2.720 20 0 BFADLO C=C/C=C/CCSc1[nH+]cnc2c1cnn2C ZINC000882089486 591295700 /nfs/dbraw/zinc/29/57/00/591295700.db2.gz QWOWGCMEPFTTSP-SNAWJCMRSA-N 1 2 246.339 2.588 20 0 BFADLO Cc1[nH+]cnc(NCCCCOC(C)C)c1C ZINC000882175201 591310964 /nfs/dbraw/zinc/31/09/64/591310964.db2.gz XVTBNBXEAQTWMU-UHFFFAOYSA-N 1 2 237.347 2.711 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H](C)c2nccs2)c1C ZINC000882184504 591312064 /nfs/dbraw/zinc/31/20/64/591312064.db2.gz MHGRIZIJHFWMLV-MRVPVSSYSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1[nH+]cnc(N2CCCC[C@H](C)C2)c1C ZINC000882201364 591315009 /nfs/dbraw/zinc/31/50/09/591315009.db2.gz QKFJQEGYZKGTBW-JTQLQIEISA-N 1 2 219.332 2.720 20 0 BFADLO C[C@@H](O)CCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882279300 591325378 /nfs/dbraw/zinc/32/53/78/591325378.db2.gz ZNXPFFCMVFHEOF-SNVBAGLBSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1[nH+]cnc(NCCC2(C)CC2)c1C ZINC000882284092 591326159 /nfs/dbraw/zinc/32/61/59/591326159.db2.gz MVYBUDSEOJADAQ-UHFFFAOYSA-N 1 2 205.305 2.696 20 0 BFADLO Cc1[nH+]cnc(N2CCC3(CCC3)CC2)c1C ZINC000882352002 591336643 /nfs/dbraw/zinc/33/66/43/591336643.db2.gz GVJLHMOICKLRBN-UHFFFAOYSA-N 1 2 231.343 2.864 20 0 BFADLO Cc1[nH+]cnc(N2CCC(F)(F)[C@@H](C)C2)c1C ZINC000882381952 591339488 /nfs/dbraw/zinc/33/94/88/591339488.db2.gz KPZYEWHICYFVKO-QMMMGPOBSA-N 1 2 241.285 2.575 20 0 BFADLO CCOC1(CNc2nc[nH+]c(C)c2C)CCCC1 ZINC000882400716 591343303 /nfs/dbraw/zinc/34/33/03/591343303.db2.gz KWRAEOYJRCLVDQ-UHFFFAOYSA-N 1 2 249.358 2.855 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCCC2(F)F)c1C ZINC000882418228 591345338 /nfs/dbraw/zinc/34/53/38/591345338.db2.gz CVZUEHCTRGJPCZ-JTQLQIEISA-N 1 2 241.285 2.941 20 0 BFADLO C[C@]1(CCNc2cc[nH+]cc2F)C[C@]1(F)Cl ZINC000882526065 591381889 /nfs/dbraw/zinc/38/18/89/591381889.db2.gz YMMFFSXDLAZNED-WDEREUQCSA-N 1 2 246.688 2.759 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@H](CCF)C2)c1C ZINC000882620926 591401636 /nfs/dbraw/zinc/40/16/36/591401636.db2.gz BYZMWRDVSJEQGQ-GFCCVEGCSA-N 1 2 237.322 2.669 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CC2(F)F)c1C ZINC000882646075 591406879 /nfs/dbraw/zinc/40/68/79/591406879.db2.gz YTDMBMQRYDUNNA-SECBINFHSA-N 1 2 227.258 2.551 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCCC23CC3)c1C ZINC000882677474 591409858 /nfs/dbraw/zinc/40/98/58/591409858.db2.gz SHPIZDYYMWBXAB-NSHDSACASA-N 1 2 217.316 2.838 20 0 BFADLO OCc1cc[nH+]c(NCCC[C@H]2C=CCC2)c1 ZINC000882715264 591419228 /nfs/dbraw/zinc/41/92/28/591419228.db2.gz TWVIBXOTHSZMTK-LBPRGKRZSA-N 1 2 232.327 2.732 20 0 BFADLO CCCCc1cc(NC[C@H]2C[C@H](OC)C2)nc[nH+]1 ZINC000882797094 591441151 /nfs/dbraw/zinc/44/11/51/591441151.db2.gz QVCAKXABMUQXOZ-AULYBMBSSA-N 1 2 249.358 2.656 20 0 BFADLO CC(C)c1nc(N2CCC[C@H](CF)C2)cc[nH+]1 ZINC000882801045 591442868 /nfs/dbraw/zinc/44/28/68/591442868.db2.gz BHJMPQXIPOBDHB-LLVKDONJSA-N 1 2 237.322 2.786 20 0 BFADLO CC[C@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000213222133 591455737 /nfs/dbraw/zinc/45/57/37/591455737.db2.gz PQZSAPPANHBPQD-NEPJUHHUSA-N 1 2 234.343 2.761 20 0 BFADLO CCc1cc(NCCC2CCC2)nc[nH+]1 ZINC000130328286 591459095 /nfs/dbraw/zinc/45/90/95/591459095.db2.gz UDLWTVWCPUNXFT-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO CC[C@H](Nc1nc[nH+]c(C)c1C)[C@@H]1CCCOC1 ZINC000882952940 591483288 /nfs/dbraw/zinc/48/32/88/591483288.db2.gz IHFGZEFAXYAAIS-OLZOCXBDSA-N 1 2 249.358 2.711 20 0 BFADLO CC[C@@H](Nc1nc[nH+]c(C)c1C)[C@@H]1CCCOC1 ZINC000882952939 591483954 /nfs/dbraw/zinc/48/39/54/591483954.db2.gz IHFGZEFAXYAAIS-CHWSQXEVSA-N 1 2 249.358 2.711 20 0 BFADLO CC(C)c1c[nH]c(CNc2cnn(C(C)C)c2)[nH+]1 ZINC000882966860 591487203 /nfs/dbraw/zinc/48/72/03/591487203.db2.gz PZDVBUCIMQLRTA-UHFFFAOYSA-N 1 2 247.346 2.923 20 0 BFADLO CCCn1cc(NCc2[nH]cc(C(C)C)[nH+]2)cn1 ZINC000883051225 591529144 /nfs/dbraw/zinc/52/91/44/591529144.db2.gz RSRFSBXPBSWNLB-UHFFFAOYSA-N 1 2 247.346 2.752 20 0 BFADLO COc1cc(C)[nH+]c(COc2cccnc2F)c1 ZINC000214282535 591545961 /nfs/dbraw/zinc/54/59/61/591545961.db2.gz FNPLSRRPXUDHKG-UHFFFAOYSA-N 1 2 248.257 2.512 20 0 BFADLO CCCCCCC(=O)Nc1c[nH+]ccc1OC ZINC000131447277 591609556 /nfs/dbraw/zinc/60/95/56/591609556.db2.gz AAUBFWIGSJISPG-UHFFFAOYSA-N 1 2 236.315 2.999 20 0 BFADLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccoc1 ZINC000883313750 591612809 /nfs/dbraw/zinc/61/28/09/591612809.db2.gz LQBRPWIHIRATDQ-NSHDSACASA-N 1 2 243.310 2.800 20 0 BFADLO CC[C@H](COC)Nc1c[nH+]c(C)c(C)c1 ZINC000883341977 591618635 /nfs/dbraw/zinc/61/86/35/591618635.db2.gz GMWAGNRWNNYCBV-LLVKDONJSA-N 1 2 208.305 2.535 20 0 BFADLO Cc1cc(NCc2cncs2)c[nH+]c1C ZINC000883341080 591619701 /nfs/dbraw/zinc/61/97/01/591619701.db2.gz HWDHEKJVMXUILM-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(CNc2c[nH+]c(C)c(C)c2)no1 ZINC000883341651 591620226 /nfs/dbraw/zinc/62/02/26/591620226.db2.gz WSYHBDNGXDWJDE-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CCc1nn(C)cc1CNc1c[nH+]c(C)c(C)c1 ZINC000883340875 591620674 /nfs/dbraw/zinc/62/06/74/591620674.db2.gz BHXGGFQIFWLOSD-UHFFFAOYSA-N 1 2 244.342 2.606 20 0 BFADLO CCc1ncc(CNc2c[nH+]c(C)c(C)c2)cn1 ZINC000883341092 591620722 /nfs/dbraw/zinc/62/07/22/591620722.db2.gz ICGCGVPDEJECCL-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)[C@H]1CCOC1 ZINC000883342271 591621390 /nfs/dbraw/zinc/62/13/90/591621390.db2.gz RAEQACFEVRAYPF-JSGCOSHPSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc([C@H](C)Nc2c[nH+]c(C)c(C)c2)nn1C ZINC000883342619 591621495 /nfs/dbraw/zinc/62/14/95/591621495.db2.gz GEWFZXBHVCDFOC-LBPRGKRZSA-N 1 2 244.342 2.913 20 0 BFADLO Cc1n[nH]cc1[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342434 591621535 /nfs/dbraw/zinc/62/15/35/591621535.db2.gz XPUIAPXYXPCCPU-JTQLQIEISA-N 1 2 230.315 2.903 20 0 BFADLO CCOC1CC(Nc2c[nH+]c(C)c(C)c2)C1 ZINC000883342389 591622052 /nfs/dbraw/zinc/62/20/52/591622052.db2.gz VHEJVUOIQVSQGJ-UHFFFAOYSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@@H]2CCCn3ccnc32)c[nH+]c1C ZINC000883342726 591622083 /nfs/dbraw/zinc/62/20/83/591622083.db2.gz JLCAAPAQFAIPJG-CYBMUJFWSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCCOC2)c[nH+]c1C ZINC000883342725 591622102 /nfs/dbraw/zinc/62/21/02/591622102.db2.gz JKGZRZWRKZIXRF-STQMWFEESA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccn(C)n2)c[nH+]c1C ZINC000883342617 591622113 /nfs/dbraw/zinc/62/21/13/591622113.db2.gz GDGCWBAVPVTYLK-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO CC(C)=CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029277377 591781229 /nfs/dbraw/zinc/78/12/29/591781229.db2.gz ZRZZQVUYRDPBHU-UHFFFAOYSA-N 1 2 241.294 2.777 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(OCCO)cc1 ZINC000133612254 591842180 /nfs/dbraw/zinc/84/21/80/591842180.db2.gz IYJWGKSQFXBONS-LLVKDONJSA-N 1 2 223.316 2.516 20 0 BFADLO COc1ccc([NH2+][C@H](C)C(C)C)cc1CO ZINC000134496635 591931798 /nfs/dbraw/zinc/93/17/98/591931798.db2.gz FSOCYJLDLIPUGL-SNVBAGLBSA-N 1 2 223.316 2.644 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCCCCCO ZINC000134649888 591945343 /nfs/dbraw/zinc/94/53/43/591945343.db2.gz IRMFPSQGZFYARS-UHFFFAOYSA-N 1 2 237.343 2.968 20 0 BFADLO CCc1nc(N2CCC3(CCC3)CC2)cc[nH+]1 ZINC000884506676 591959709 /nfs/dbraw/zinc/95/97/09/591959709.db2.gz JWYGNNQRSXWNLA-UHFFFAOYSA-N 1 2 231.343 2.810 20 0 BFADLO CCOCC(C)(C)CNc1cc[nH+]c(CC)n1 ZINC000884509567 591961192 /nfs/dbraw/zinc/96/11/92/591961192.db2.gz JRHXSBBYOMRSNY-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO CCc1nc(N2CCC(C3CC3)CC2)cc[nH+]1 ZINC000884513833 591961727 /nfs/dbraw/zinc/96/17/27/591961727.db2.gz SKTLTBHBBGQFRR-UHFFFAOYSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(NCC(CC)(CC)OC)cc[nH+]1 ZINC000884515141 591962902 /nfs/dbraw/zinc/96/29/02/591962902.db2.gz ZRCJICPZGUXPRL-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1nc(NCCCC2CCOCC2)cc[nH+]1 ZINC000884517640 591963961 /nfs/dbraw/zinc/96/39/61/591963961.db2.gz SSCWLGSUICRTTA-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO Cc1cnc(NCc2c[nH+]c(C)cc2C)o1 ZINC000884525202 591966093 /nfs/dbraw/zinc/96/60/93/591966093.db2.gz PBMJTDNYCNGDKY-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CCc1nc(NC2CCC(COC)CC2)cc[nH+]1 ZINC000884530309 591968977 /nfs/dbraw/zinc/96/89/77/591968977.db2.gz JCFLMQNRZYVCNE-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(N2CC(C)(C)C[C@@H]2C)cc[nH+]1 ZINC000884531103 591969127 /nfs/dbraw/zinc/96/91/27/591969127.db2.gz CWOSCSMMWFKVAM-JTQLQIEISA-N 1 2 219.332 2.664 20 0 BFADLO CCc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000884532640 591969787 /nfs/dbraw/zinc/96/97/87/591969787.db2.gz NPHCSRNWVSUNOP-AXFHLTTASA-N 1 2 219.332 2.520 20 0 BFADLO CCc1nc(N2CC[C@@H](C3CCC3)C2)cc[nH+]1 ZINC000884532211 591969886 /nfs/dbraw/zinc/96/98/86/591969886.db2.gz FENQQAZONBUMMZ-GFCCVEGCSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(NC2CC3(CCC3)C2)cc[nH+]1 ZINC000884546326 591974997 /nfs/dbraw/zinc/97/49/97/591974997.db2.gz HWVVULPWRNYKLZ-UHFFFAOYSA-N 1 2 217.316 2.784 20 0 BFADLO CCc1nc(NC[C@@H]2C(C)(C)C2(F)F)cc[nH+]1 ZINC000884559549 591979373 /nfs/dbraw/zinc/97/93/73/591979373.db2.gz XRAMCXLJNOYUCJ-MRVPVSSYSA-N 1 2 241.285 2.742 20 0 BFADLO C=C/C=C\CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000884566663 591983065 /nfs/dbraw/zinc/98/30/65/591983065.db2.gz QAOMSODZQGSELK-QMAVJUDZSA-N 1 2 234.299 2.510 20 0 BFADLO CCc1nc(NCC2(C)CC(F)(F)C2)cc[nH+]1 ZINC000884580796 591987029 /nfs/dbraw/zinc/98/70/29/591987029.db2.gz MKSRDJFFMYKCIG-UHFFFAOYSA-N 1 2 241.285 2.886 20 0 BFADLO CCc1ccc[nH+]c1NCc1n[nH]c(C)c1C ZINC000886044573 592140514 /nfs/dbraw/zinc/14/05/14/592140514.db2.gz ZUHQVBLOTWHCSN-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO Cc1coc(C[NH2+]Cc2ccc(Cl)cn2)c1 ZINC000886056977 592141110 /nfs/dbraw/zinc/14/11/10/592141110.db2.gz AQOCIJLMVLERDE-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886093972 592148000 /nfs/dbraw/zinc/14/80/00/592148000.db2.gz LDPUIBNIJMWKMC-GRYCIOLGSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886093972 592148004 /nfs/dbraw/zinc/14/80/04/592148004.db2.gz LDPUIBNIJMWKMC-GRYCIOLGSA-N 1 2 245.313 2.674 20 0 BFADLO Cc1coc(C[NH2+]Cc2noc3c2CCCC3)c1 ZINC000886118294 592157052 /nfs/dbraw/zinc/15/70/52/592157052.db2.gz BCRZKZSHXWTVSU-UHFFFAOYSA-N 1 2 246.310 2.745 20 0 BFADLO Cc1coc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000886136381 592160955 /nfs/dbraw/zinc/16/09/55/592160955.db2.gz MOBMRUOQKCKUME-CMPLNLGQSA-N 1 2 231.299 2.580 20 0 BFADLO FC1(F)CCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886266851 592191168 /nfs/dbraw/zinc/19/11/68/592191168.db2.gz AFOJOCPRXJGAAC-VXGBXAGGSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886266851 592191169 /nfs/dbraw/zinc/19/11/69/592191169.db2.gz AFOJOCPRXJGAAC-VXGBXAGGSA-N 1 2 245.313 2.675 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000886270595 592192115 /nfs/dbraw/zinc/19/21/15/592192115.db2.gz HVYMNPOMECHWPV-UHFFFAOYSA-N 1 2 246.310 2.997 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ncco1 ZINC000886274082 592193291 /nfs/dbraw/zinc/19/32/91/592193291.db2.gz MDADTQVQCLNNLP-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1F ZINC000886274406 592194292 /nfs/dbraw/zinc/19/42/92/592194292.db2.gz SMNRLEFAINQVQU-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO CCOc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000886276150 592195438 /nfs/dbraw/zinc/19/54/38/592195438.db2.gz YJCRAIBFAKFMHV-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1F)c1ncco1 ZINC000886275635 592195887 /nfs/dbraw/zinc/19/58/87/592195887.db2.gz HLMBUDUHAOUQFB-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886643489 592287245 /nfs/dbraw/zinc/28/72/45/592287245.db2.gz XFLZKFFKYAPEDR-LLVKDONJSA-N 1 2 245.317 2.752 20 0 BFADLO CCCCOCC[N@H+](CC(F)F)C1CCC1 ZINC000887099297 592441341 /nfs/dbraw/zinc/44/13/41/592441341.db2.gz ZAGYVHHMUKFVMR-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CCCCOCC[N@@H+](CC(F)F)C1CCC1 ZINC000887099297 592441345 /nfs/dbraw/zinc/44/13/45/592441345.db2.gz ZAGYVHHMUKFVMR-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO C[N@H+](CCCF)C/C(Cl)=C/Cl ZINC000887141379 592457480 /nfs/dbraw/zinc/45/74/80/592457480.db2.gz QQRMSICYPBFLHE-ALCCZGGFSA-N 1 2 200.084 2.597 20 0 BFADLO C[N@@H+](CCCF)C/C(Cl)=C/Cl ZINC000887141379 592457482 /nfs/dbraw/zinc/45/74/82/592457482.db2.gz QQRMSICYPBFLHE-ALCCZGGFSA-N 1 2 200.084 2.597 20 0 BFADLO CCCCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000140530823 592474477 /nfs/dbraw/zinc/47/44/77/592474477.db2.gz IQIUVVLIRFSDNP-LLVKDONJSA-N 1 2 237.347 2.947 20 0 BFADLO COc1ccc2ccc(NC[C@H](C)OC)[nH+]c2c1 ZINC000893395825 634398694 /nfs/dbraw/zinc/39/86/94/634398694.db2.gz BNTIZCPHJAVCID-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2COCC2(C)C)cc1 ZINC000313073156 634447856 /nfs/dbraw/zinc/44/78/56/634447856.db2.gz GPUYOPRDONMFIG-ZDUSSCGKSA-N 1 2 234.343 2.590 20 0 BFADLO CCOc1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000090169671 635538463 /nfs/dbraw/zinc/53/84/63/635538463.db2.gz JOJLOWKBIFBVHO-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC1(C)C ZINC000309030992 631806489 /nfs/dbraw/zinc/80/64/89/631806489.db2.gz BOINOAZDWCOYQX-SNVBAGLBSA-N 1 2 206.289 2.691 20 0 BFADLO CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C(=O)OC ZINC000279856397 632633318 /nfs/dbraw/zinc/63/33/18/632633318.db2.gz ITLYEWCZFAQNPT-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1ccnc(C[NH2+][C@H](C)c2ccsc2)n1 ZINC000309752987 632664672 /nfs/dbraw/zinc/66/46/72/632664672.db2.gz HCUCOSJWMJMQIS-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H]([NH2+]CC(C)(C)O)C(F)(F)c1ccccc1 ZINC000925021785 635854195 /nfs/dbraw/zinc/85/41/95/635854195.db2.gz AWSMCDJYHQAVJI-SNVBAGLBSA-N 1 2 243.297 2.527 20 0 BFADLO C/C=C\COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000255895379 632986795 /nfs/dbraw/zinc/98/67/95/632986795.db2.gz RVJMGGDRUGGTOG-IHWYPQMZSA-N 1 2 242.278 2.605 20 0 BFADLO Oc1cccc(C[NH+]2CC3(CC3)C2)c1Cl ZINC000335374944 635877890 /nfs/dbraw/zinc/87/78/90/635877890.db2.gz DICZLCJPGWAYJU-UHFFFAOYSA-N 1 2 223.703 2.641 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000924589995 633104577 /nfs/dbraw/zinc/10/45/77/633104577.db2.gz MSMJEMIRDJDMCG-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CCC(CC)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923882362 633112356 /nfs/dbraw/zinc/11/23/56/633112356.db2.gz OJDZKNMAQWUOSD-MRVPVSSYSA-N 1 2 211.309 2.596 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c(C)o1 ZINC000783673617 633156161 /nfs/dbraw/zinc/15/61/61/633156161.db2.gz QGQLWEFXGLUTMA-ZDUSSCGKSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c(C)o1 ZINC000783673617 633156166 /nfs/dbraw/zinc/15/61/66/633156166.db2.gz QGQLWEFXGLUTMA-ZDUSSCGKSA-N 1 2 245.326 2.957 20 0 BFADLO COCc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000924599060 633180693 /nfs/dbraw/zinc/18/06/93/633180693.db2.gz APDZVUSIRZAWGT-NSHDSACASA-N 1 2 246.310 2.672 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2CC[C@H](CC)CC2)n1 ZINC000328354597 633758295 /nfs/dbraw/zinc/75/82/95/633758295.db2.gz QVAQEUXAVZWZGU-XYPYZODXSA-N 1 2 237.347 2.863 20 0 BFADLO CCc1cc(NCC2(OC)CCC2)nc(CC)[nH+]1 ZINC000893109020 633839691 /nfs/dbraw/zinc/83/96/91/633839691.db2.gz WETSKAXZAVMNDC-UHFFFAOYSA-N 1 2 249.358 2.582 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000295138211 633848398 /nfs/dbraw/zinc/84/83/98/633848398.db2.gz LXTGYGZPVZWGNI-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000295138211 633848401 /nfs/dbraw/zinc/84/84/01/633848401.db2.gz LXTGYGZPVZWGNI-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1c[nH]cn1 ZINC000295138211 633848406 /nfs/dbraw/zinc/84/84/06/633848406.db2.gz LXTGYGZPVZWGNI-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1c[nH]cn1 ZINC000295138211 633848413 /nfs/dbraw/zinc/84/84/13/633848413.db2.gz LXTGYGZPVZWGNI-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO CC(C)COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181060825 633908134 /nfs/dbraw/zinc/90/81/34/633908134.db2.gz KCGHJGCBSSNEEM-UHFFFAOYSA-N 1 2 244.294 2.685 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(Cl)nc1 ZINC000309814601 634016401 /nfs/dbraw/zinc/01/64/01/634016401.db2.gz VANKDFAIPGTTPC-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CC[C@@](C)(CNc1ccc([NH+](C)C)cc1)OC ZINC000319541094 634323208 /nfs/dbraw/zinc/32/32/08/634323208.db2.gz BIKIVYUODIITME-AWEZNQCLSA-N 1 2 236.359 2.980 20 0 BFADLO COc1ccc(C)cc1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000067647866 636758336 /nfs/dbraw/zinc/75/83/36/636758336.db2.gz HWUDUHOPDMHHIS-GQCTYLIASA-N 1 2 242.278 2.623 20 0 BFADLO CCC/C=C/c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265397 637395060 /nfs/dbraw/zinc/39/50/60/637395060.db2.gz JGHCCXCGVRDKRZ-AATRIKPKSA-N 1 2 244.298 2.836 20 0 BFADLO Cc1[nH]cc(-c2ccc(C(C)(C)O)cc2)[nH+]1 ZINC000904771635 637478946 /nfs/dbraw/zinc/47/89/46/637478946.db2.gz SLGGZCLMZDWRPM-UHFFFAOYSA-N 1 2 216.284 2.613 20 0 BFADLO CCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905018030 637551820 /nfs/dbraw/zinc/55/18/20/637551820.db2.gz KJRXLZMIQYWZCN-UHFFFAOYSA-N 1 2 234.343 2.927 20 0 BFADLO CCCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000905850495 637964966 /nfs/dbraw/zinc/96/49/66/637964966.db2.gz ILYTZJWZJPERJO-UHFFFAOYSA-N 1 2 234.343 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000906666502 638230444 /nfs/dbraw/zinc/23/04/44/638230444.db2.gz AJBRCVXCZPFYLO-LBPRGKRZSA-N 1 2 246.354 2.783 20 0 BFADLO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000906849986 638255555 /nfs/dbraw/zinc/25/55/55/638255555.db2.gz KHLCTRUYUSVGBV-QWRGUYRKSA-N 1 2 246.354 2.735 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000907595099 638416740 /nfs/dbraw/zinc/41/67/40/638416740.db2.gz TXZXTNLTHUZHAH-TVQRCGJNSA-N 1 2 246.354 2.925 20 0 BFADLO CC[C@@H]1C[C@H]1CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908938424 639096902 /nfs/dbraw/zinc/09/69/02/639096902.db2.gz CBDFDENXYWZTNZ-OLZOCXBDSA-N 1 2 246.354 2.783 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ncccn1 ZINC000930348247 639718677 /nfs/dbraw/zinc/71/86/77/639718677.db2.gz OXSKUNIVQZRFHF-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO CC1(C)C[C@H](C[N@@H+]2CC[C@H]2C(F)F)C(C)(C)O1 ZINC000931424504 640193581 /nfs/dbraw/zinc/19/35/81/640193581.db2.gz HQYXBVGVNQZIQF-ZJUUUORDSA-N 1 2 247.329 2.920 20 0 BFADLO CC1(C)C[C@H](C[N@H+]2CC[C@H]2C(F)F)C(C)(C)O1 ZINC000931424504 640193584 /nfs/dbraw/zinc/19/35/84/640193584.db2.gz HQYXBVGVNQZIQF-ZJUUUORDSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2CC=CC2)c(C)[nH+]1 ZINC000912989479 640274612 /nfs/dbraw/zinc/27/46/12/640274612.db2.gz RMWNKQKDQBLVLP-UHFFFAOYSA-N 1 2 244.338 2.703 20 0 BFADLO FC[C@@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000931682881 640313786 /nfs/dbraw/zinc/31/37/86/640313786.db2.gz QLRCDLMLSPBMEM-VIFPVBQESA-N 1 2 244.260 2.541 20 0 BFADLO FC[C@@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000931682881 640313790 /nfs/dbraw/zinc/31/37/90/640313790.db2.gz QLRCDLMLSPBMEM-VIFPVBQESA-N 1 2 244.260 2.541 20 0 BFADLO C[C@H]1COCCN1c1ccc([NH2+]CC2CC2)cc1 ZINC000151280161 640353241 /nfs/dbraw/zinc/35/32/41/640353241.db2.gz SBEVAFGKZHJGQF-LBPRGKRZSA-N 1 2 246.354 2.734 20 0 BFADLO CC[NH+](CC)Cc1c(Cl)nc(Cl)n1C ZINC000156933298 640515758 /nfs/dbraw/zinc/51/57/58/640515758.db2.gz YPVFQHILIHUBSB-UHFFFAOYSA-N 1 2 236.146 2.569 20 0 BFADLO Cc1n[nH]cc1CNc1ccc([NH+](C)C)cc1C ZINC000057668006 640629751 /nfs/dbraw/zinc/62/97/51/640629751.db2.gz WPYCNESIXRVNPD-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC000933221468 640684510 /nfs/dbraw/zinc/68/45/10/640684510.db2.gz USPYAGPHBFTBCH-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO Fc1cccc2c1C[N@H+](C/C=C/Cl)CC2 ZINC000157856016 640756858 /nfs/dbraw/zinc/75/68/58/640756858.db2.gz RMISKRBVIXLNCX-QHHAFSJGSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1cccc2c1C[N@@H+](C/C=C/Cl)CC2 ZINC000157856016 640756869 /nfs/dbraw/zinc/75/68/69/640756869.db2.gz RMISKRBVIXLNCX-QHHAFSJGSA-N 1 2 225.694 2.936 20 0 BFADLO Cc1nc(C[NH2+][C@H]2CCc3cccnc32)cs1 ZINC000226816595 640795054 /nfs/dbraw/zinc/79/50/54/640795054.db2.gz WKIJBMZSQUPRNA-LBPRGKRZSA-N 1 2 245.351 2.624 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccoc2)C2CC2)ncn1 ZINC000934003215 640804295 /nfs/dbraw/zinc/80/42/95/640804295.db2.gz FUILYLUWTVZJSD-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccoc2)C2CC2)ncn1 ZINC000934003215 640804298 /nfs/dbraw/zinc/80/42/98/640804298.db2.gz FUILYLUWTVZJSD-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3c(C)cccc3C2)no1 ZINC000170922631 640939355 /nfs/dbraw/zinc/93/93/55/640939355.db2.gz UACOIJKVNKYCLK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C[N@H+]2CCc3c(C)cccc3C2)no1 ZINC000170922631 640939360 /nfs/dbraw/zinc/93/93/60/640939360.db2.gz UACOIJKVNKYCLK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000171564161 640990224 /nfs/dbraw/zinc/99/02/24/640990224.db2.gz BZBDOTWBRYKLBS-UHFFFAOYSA-N 1 2 224.307 2.953 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCCCS2)no1)[NH+](C)C ZINC000350595726 641370669 /nfs/dbraw/zinc/37/06/69/641370669.db2.gz MKKODMBTXBCFOL-IUCAKERBSA-N 1 2 241.360 2.650 20 0 BFADLO CCC(C)(C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935642657 641451230 /nfs/dbraw/zinc/45/12/30/641451230.db2.gz FIBXOIQMLTWJOO-UHFFFAOYSA-N 1 2 245.326 2.729 20 0 BFADLO Cc1ccc(NC(=O)CCC(C)C)c(N(C)C)[nH+]1 ZINC000152750060 641641502 /nfs/dbraw/zinc/64/15/02/641641502.db2.gz VDKZRHWFUSSTOM-UHFFFAOYSA-N 1 2 249.358 2.831 20 0 BFADLO C[C@@H]([N@H+](C)Cn1ncsc1=S)C(C)(C)C ZINC000914568371 641736157 /nfs/dbraw/zinc/73/61/57/641736157.db2.gz FYAKUXYUCBPQPO-MRVPVSSYSA-N 1 2 245.417 2.998 20 0 BFADLO C[C@@H]([N@@H+](C)Cn1ncsc1=S)C(C)(C)C ZINC000914568371 641736162 /nfs/dbraw/zinc/73/61/62/641736162.db2.gz FYAKUXYUCBPQPO-MRVPVSSYSA-N 1 2 245.417 2.998 20 0 BFADLO CC(C)n1ccn(C[N@H+](C)C2CC2)c1=S ZINC000914784044 641764391 /nfs/dbraw/zinc/76/43/91/641764391.db2.gz TVNINNXMLDITAA-UHFFFAOYSA-N 1 2 225.361 2.652 20 0 BFADLO CC(C)n1ccn(C[N@@H+](C)C2CC2)c1=S ZINC000914784044 641764394 /nfs/dbraw/zinc/76/43/94/641764394.db2.gz TVNINNXMLDITAA-UHFFFAOYSA-N 1 2 225.361 2.652 20 0 BFADLO CC(C)[C@@H](C)[N@H+](C)Cn1ncsc1=S ZINC000915208420 641809405 /nfs/dbraw/zinc/80/94/05/641809405.db2.gz LDYKMURCAVPGAX-MRVPVSSYSA-N 1 2 231.390 2.608 20 0 BFADLO CC(C)[C@@H](C)[N@@H+](C)Cn1ncsc1=S ZINC000915208420 641809407 /nfs/dbraw/zinc/80/94/07/641809407.db2.gz LDYKMURCAVPGAX-MRVPVSSYSA-N 1 2 231.390 2.608 20 0 BFADLO Cc1ccnc(SCCCn2cc[nH+]c2)c1 ZINC000918793317 642269460 /nfs/dbraw/zinc/26/94/60/642269460.db2.gz VAMZJYCONZEFPO-UHFFFAOYSA-N 1 2 233.340 2.769 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccncc2)C2CC2)o1 ZINC000930111773 642421069 /nfs/dbraw/zinc/42/10/69/642421069.db2.gz CDYJFHSMTIGMQI-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccncc2)C2CC2)o1 ZINC000930111773 642421083 /nfs/dbraw/zinc/42/10/83/642421083.db2.gz CDYJFHSMTIGMQI-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000930120154 642441420 /nfs/dbraw/zinc/44/14/20/642441420.db2.gz XQNBPAUUNJAQKC-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000930120154 642441422 /nfs/dbraw/zinc/44/14/22/642441422.db2.gz XQNBPAUUNJAQKC-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO C=C(C)C[N@@H+](C)Cc1c(CC)nn(C)c1Cl ZINC000181046183 642834686 /nfs/dbraw/zinc/83/46/86/642834686.db2.gz HCFKQCDFIHODPC-UHFFFAOYSA-N 1 2 241.766 2.644 20 0 BFADLO C=C(C)C[N@H+](C)Cc1c(CC)nn(C)c1Cl ZINC000181046183 642834691 /nfs/dbraw/zinc/83/46/91/642834691.db2.gz HCFKQCDFIHODPC-UHFFFAOYSA-N 1 2 241.766 2.644 20 0 BFADLO CC[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181083710 642837845 /nfs/dbraw/zinc/83/78/45/642837845.db2.gz NSUDIJBGZSVWIM-NSHDSACASA-N 1 2 244.294 2.828 20 0 BFADLO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353684970 642925047 /nfs/dbraw/zinc/92/50/47/642925047.db2.gz HZCIVYMSHZYAED-CBAPKCEASA-N 1 2 247.264 2.718 20 0 BFADLO Cc1nonc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000070261796 643008657 /nfs/dbraw/zinc/00/86/57/643008657.db2.gz ZAYLIJHJZNFJNZ-UHFFFAOYSA-N 1 2 245.326 2.791 20 0 BFADLO CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1C ZINC000019959423 643048068 /nfs/dbraw/zinc/04/80/68/643048068.db2.gz YXAHCMCIGWDJPL-INIZCTEOSA-N 1 2 246.398 2.877 20 0 BFADLO CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1C ZINC000019959423 643048084 /nfs/dbraw/zinc/04/80/84/643048084.db2.gz YXAHCMCIGWDJPL-INIZCTEOSA-N 1 2 246.398 2.877 20 0 BFADLO CC1CC[NH+](Cn2ccc(C(F)(F)F)n2)CC1 ZINC000067710368 643185124 /nfs/dbraw/zinc/18/51/24/643185124.db2.gz URRLCWDHZXEBMU-UHFFFAOYSA-N 1 2 247.264 2.591 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000112344523 643333138 /nfs/dbraw/zinc/33/31/38/643333138.db2.gz VPIYXAFHYSLGDO-UHFFFAOYSA-N 1 2 243.354 2.997 20 0 BFADLO C[NH+](C)c1ccc(NCc2nccs2)cc1 ZINC000049825651 643470211 /nfs/dbraw/zinc/47/02/11/643470211.db2.gz IFAFIBXYAGISPA-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO CC[C@H](C)C[NH2+]CC(F)(F)Br ZINC000307861048 643689498 /nfs/dbraw/zinc/68/94/98/643689498.db2.gz GUGILWDFKNSTFP-LURJTMIESA-N 1 2 230.096 2.610 20 0 BFADLO Nc1ccc(COC(=O)CC2CCCCC2)c[nH+]1 ZINC000922164635 643885936 /nfs/dbraw/zinc/88/59/36/643885936.db2.gz NZVFFJRFSVDJOQ-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CCC(CC)CC(=O)OCc1ccc[nH+]c1N ZINC000922525385 644014239 /nfs/dbraw/zinc/01/42/39/644014239.db2.gz PVZWFMYOHJLEMU-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922624314 644042367 /nfs/dbraw/zinc/04/23/67/644042367.db2.gz OEGGOZMIZSHXFR-JXMROGBWSA-N 1 2 248.326 2.699 20 0 BFADLO Nc1ccc(COC(=O)C2=CCCCCC2)c[nH+]1 ZINC000922623989 644042680 /nfs/dbraw/zinc/04/26/80/644042680.db2.gz MOGRRSKMNVDZQC-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO CC[C@H](C)CCC(=O)OCc1ccc[nH+]c1N ZINC000922727224 644076962 /nfs/dbraw/zinc/07/69/62/644076962.db2.gz PRKLJXCHZCVLAG-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO CC1(CC(=O)OCc2ccc(N)[nH+]c2)CCCC1 ZINC000922736112 644078161 /nfs/dbraw/zinc/07/81/61/644078161.db2.gz DJMRCQMJAUMQEB-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922808540 644101406 /nfs/dbraw/zinc/10/14/06/644101406.db2.gz ALWXNKXTTVQVIJ-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccnc2)no1 ZINC000074086840 644173531 /nfs/dbraw/zinc/17/35/31/644173531.db2.gz NLUVNPBQFNKJPF-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccnc2)no1 ZINC000074086840 644173532 /nfs/dbraw/zinc/17/35/32/644173532.db2.gz NLUVNPBQFNKJPF-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccon2)Cc2ccccc21 ZINC000740874081 644561526 /nfs/dbraw/zinc/56/15/26/644561526.db2.gz XTVOLHLFCHBYIA-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccon2)Cc2ccccc21 ZINC000740874081 644561530 /nfs/dbraw/zinc/56/15/30/644561530.db2.gz XTVOLHLFCHBYIA-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO CC(C)(F)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000092285691 644653113 /nfs/dbraw/zinc/65/31/13/644653113.db2.gz FLDKTAOOCGSOHH-UHFFFAOYSA-N 1 2 247.273 2.763 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccccn1 ZINC000809424877 644889289 /nfs/dbraw/zinc/88/92/89/644889289.db2.gz OWNZQMVLFNEODU-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CCOC(=O)CC(C)(C)C[N@@H+]1CCC=C(F)C1 ZINC000813337326 644939885 /nfs/dbraw/zinc/93/98/85/644939885.db2.gz PVLOPPKFCYKFMY-UHFFFAOYSA-N 1 2 243.322 2.525 20 0 BFADLO CCOC(=O)CC(C)(C)C[N@H+]1CCC=C(F)C1 ZINC000813337326 644939888 /nfs/dbraw/zinc/93/98/88/644939888.db2.gz PVLOPPKFCYKFMY-UHFFFAOYSA-N 1 2 243.322 2.525 20 0 BFADLO Cc1cc(CNC(=O)C[C@@H](C)C2CC2)cc(C)[nH+]1 ZINC000817459413 644983709 /nfs/dbraw/zinc/98/37/09/644983709.db2.gz YNQYZRAMDAHYST-SNVBAGLBSA-N 1 2 246.354 2.751 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(OC)cc2)co1 ZINC000825051023 645060928 /nfs/dbraw/zinc/06/09/28/645060928.db2.gz UJOMXQXHBUEZML-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ncco1 ZINC000926713672 645377901 /nfs/dbraw/zinc/37/79/01/645377901.db2.gz IQVRIWDMBFBCRS-NOZJJQNGSA-N 1 2 244.294 2.718 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1ncco1 ZINC000926713674 645378951 /nfs/dbraw/zinc/37/89/51/645378951.db2.gz IQVRIWDMBFBCRS-TVQRCGJNSA-N 1 2 244.294 2.718 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ncco1 ZINC000926713673 645379477 /nfs/dbraw/zinc/37/94/77/645379477.db2.gz IQVRIWDMBFBCRS-RNCFNFMXSA-N 1 2 244.294 2.718 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)C(F)F ZINC000926865515 645462455 /nfs/dbraw/zinc/46/24/55/645462455.db2.gz LNKLGYGZBMPYBF-RITPCOANSA-N 1 2 242.107 2.546 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930244539 645519030 /nfs/dbraw/zinc/51/90/30/645519030.db2.gz NWFMVWDFDMEWKY-HGNGGELXSA-N 1 2 243.351 2.587 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000930244539 645519037 /nfs/dbraw/zinc/51/90/37/645519037.db2.gz NWFMVWDFDMEWKY-HGNGGELXSA-N 1 2 243.351 2.587 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccoc1 ZINC000927112172 645551188 /nfs/dbraw/zinc/55/11/88/645551188.db2.gz LBEXQBNDIRZHAS-SNVBAGLBSA-N 1 2 245.326 2.741 20 0 BFADLO CCCC[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000929125782 645958924 /nfs/dbraw/zinc/95/89/24/645958924.db2.gz SCQWLZSHHSJDKB-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO CCCC[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000929125782 645958915 /nfs/dbraw/zinc/95/89/15/645958915.db2.gz SCQWLZSHHSJDKB-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO C[C@H](c1nc([C@H]2CCC(F)(F)C2)no1)[NH+](C)C ZINC000924057154 645968117 /nfs/dbraw/zinc/96/81/17/645968117.db2.gz HMGWXEBMVDPFGM-SFYZADRCSA-N 1 2 245.273 2.595 20 0 BFADLO C[C@H](c1nc([C@@H]2CCC(F)(F)C2)no1)[NH+](C)C ZINC000924057153 645973362 /nfs/dbraw/zinc/97/33/62/645973362.db2.gz HMGWXEBMVDPFGM-HTQZYQBOSA-N 1 2 245.273 2.595 20 0 BFADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccnc1 ZINC000924534146 646053134 /nfs/dbraw/zinc/05/31/34/646053134.db2.gz NZWMILWEKDVKKK-GFCCVEGCSA-N 1 2 243.310 2.545 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000924543143 646063492 /nfs/dbraw/zinc/06/34/92/646063492.db2.gz PYQSNKCCFSCDOX-UWVGGRQHSA-N 1 2 231.299 2.790 20 0 BFADLO CCOCC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000924696901 646091420 /nfs/dbraw/zinc/09/14/20/646091420.db2.gz HDCUWRGAVSYMKZ-NSHDSACASA-N 1 2 243.297 2.793 20 0 BFADLO CCC[N@H+](CC)Cc1nc(C(C)C)ns1 ZINC000929366873 646098754 /nfs/dbraw/zinc/09/87/54/646098754.db2.gz OPDPPAWRZVOMPB-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO CCC[N@@H+](CC)Cc1nc(C(C)C)ns1 ZINC000929366873 646098758 /nfs/dbraw/zinc/09/87/58/646098758.db2.gz OPDPPAWRZVOMPB-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO C[N@H+](CCCC(C)(F)F)CC(F)F ZINC000929515472 646165287 /nfs/dbraw/zinc/16/52/87/646165287.db2.gz KGJIEJLTDJVNET-UHFFFAOYSA-N 1 2 201.207 2.619 20 0 BFADLO C[N@@H+](CCCC(C)(F)F)CC(F)F ZINC000929515472 646165291 /nfs/dbraw/zinc/16/52/91/646165291.db2.gz KGJIEJLTDJVNET-UHFFFAOYSA-N 1 2 201.207 2.619 20 0 BFADLO CC[C@@H]1C[C@H]1C[N@H+](CC(F)F)C1CC1 ZINC000929597085 646190126 /nfs/dbraw/zinc/19/01/26/646190126.db2.gz HOLAWYUSHYITDS-BDAKNGLRSA-N 1 2 203.276 2.762 20 0 BFADLO CC[C@@H]1C[C@H]1C[N@@H+](CC(F)F)C1CC1 ZINC000929597085 646190132 /nfs/dbraw/zinc/19/01/32/646190132.db2.gz HOLAWYUSHYITDS-BDAKNGLRSA-N 1 2 203.276 2.762 20 0 BFADLO CCOC(=O)/C=C/C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000929766171 646295973 /nfs/dbraw/zinc/29/59/73/646295973.db2.gz JIEYKUICTQPXBK-LZGFCCKTSA-N 1 2 245.322 2.683 20 0 BFADLO CCOC(=O)/C=C/C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000929766171 646295978 /nfs/dbraw/zinc/29/59/78/646295978.db2.gz JIEYKUICTQPXBK-LZGFCCKTSA-N 1 2 245.322 2.683 20 0 BFADLO c1ccc(N[C@@H]2CCOC23CCCCC3)[nH+]c1 ZINC000925720685 646446187 /nfs/dbraw/zinc/44/61/87/646446187.db2.gz ZUDVEVSUJSDXRV-GFCCVEGCSA-N 1 2 232.327 2.985 20 0 BFADLO Cc1cccc([C@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000930172310 646473719 /nfs/dbraw/zinc/47/37/19/646473719.db2.gz ATPCJTACEFOTRJ-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1cccc([C@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000930172310 646473728 /nfs/dbraw/zinc/47/37/28/646473728.db2.gz ATPCJTACEFOTRJ-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccnnc1 ZINC000926028591 646562277 /nfs/dbraw/zinc/56/22/77/646562277.db2.gz UAKBFIRFLZTASG-NSHDSACASA-N 1 2 242.326 2.716 20 0 BFADLO Cc1cc(N[C@H]2COC[C@@H]2C)ccc1[NH+](C)C ZINC000926052552 646565946 /nfs/dbraw/zinc/56/59/46/646565946.db2.gz JKHYVXZTUMBFNO-AAEUAGOBSA-N 1 2 234.343 2.508 20 0 BFADLO C[C@H]1COC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926067216 646571379 /nfs/dbraw/zinc/57/13/79/646571379.db2.gz VQDQESQXOFCZKZ-SMDDNHRTSA-N 1 2 246.354 2.516 20 0 BFADLO C[C@H]1COC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926067216 646571384 /nfs/dbraw/zinc/57/13/84/646571384.db2.gz VQDQESQXOFCZKZ-SMDDNHRTSA-N 1 2 246.354 2.516 20 0 BFADLO Cc1cscc1C[NH2+][C@H](C)c1nonc1C ZINC000926300723 646612916 /nfs/dbraw/zinc/61/29/16/646612916.db2.gz CKZFBRIGNRAJNN-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000926368809 646628067 /nfs/dbraw/zinc/62/80/67/646628067.db2.gz FFQQBFAFVMUZDC-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO C/C=C\C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724425464 711579389 /nfs/dbraw/zinc/57/93/89/711579389.db2.gz VNEHRRBBMXJMDR-WAYWQWQTSA-N 1 2 208.305 2.638 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC000931429617 711712843 /nfs/dbraw/zinc/71/28/43/711712843.db2.gz XJKHPVCHLCEDOZ-SNVBAGLBSA-N 1 2 215.287 2.906 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC000931429617 711712845 /nfs/dbraw/zinc/71/28/45/711712845.db2.gz XJKHPVCHLCEDOZ-SNVBAGLBSA-N 1 2 215.287 2.906 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cnsn2)s1 ZINC000399675806 711757868 /nfs/dbraw/zinc/75/78/68/711757868.db2.gz NWGRMPBTYDQNRI-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO c1ccc(NCC[C@H]2CCSC2)[nH+]c1 ZINC000704814958 712118340 /nfs/dbraw/zinc/11/83/40/712118340.db2.gz ZVDHWAIIDQEGFC-JTQLQIEISA-N 1 2 208.330 2.637 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Br)o2)[C@@H]1C ZINC000706788721 712155374 /nfs/dbraw/zinc/15/53/74/712155374.db2.gz KVIIJQYFYWXGMW-HTQZYQBOSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)o2)[C@@H]1C ZINC000706788721 712155376 /nfs/dbraw/zinc/15/53/76/712155376.db2.gz KVIIJQYFYWXGMW-HTQZYQBOSA-N 1 2 244.132 2.882 20 0 BFADLO Cc1nc(NCC[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000712707845 712448752 /nfs/dbraw/zinc/44/87/52/712448752.db2.gz DMQHRNSAOBWEGA-NEPJUHHUSA-N 1 2 217.316 2.633 20 0 BFADLO c1ccc(NCC[C@@H]2CCCS2)[nH+]c1 ZINC000715621143 712528037 /nfs/dbraw/zinc/52/80/37/712528037.db2.gz LXRUGTKWWQWFKT-JTQLQIEISA-N 1 2 208.330 2.779 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccns2)s1 ZINC000715999418 712551901 /nfs/dbraw/zinc/55/19/01/712551901.db2.gz PWHAXFBGGPCEBL-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)s2)n1 ZINC000038034558 712800082 /nfs/dbraw/zinc/80/00/82/712800082.db2.gz QOMRWTCSVJNARC-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)C(F)F)cc(C)c1O ZINC000389955086 711100144 /nfs/dbraw/zinc/10/01/44/711100144.db2.gz ZANKMDYAVMUXTA-VIFPVBQESA-N 1 2 229.270 2.752 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2COC(C)(C)C2)cc1 ZINC000396841104 711370151 /nfs/dbraw/zinc/37/01/51/711370151.db2.gz CBWRUPJZPIYONI-LBPRGKRZSA-N 1 2 234.343 2.732 20 0 BFADLO c1nc(C[NH2+]Cc2cncc3ccccc32)co1 ZINC000397797481 711391680 /nfs/dbraw/zinc/39/16/80/711391680.db2.gz UJQSZCLCLXMBPF-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000399772901 711435155 /nfs/dbraw/zinc/43/51/55/711435155.db2.gz GIOHDFBGMKRWQC-GFCCVEGCSA-N 1 2 233.340 2.779 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@@H](C)[C@@H]2C)ccc1[NH+](C)C ZINC000926052516 711478087 /nfs/dbraw/zinc/47/80/87/711478087.db2.gz INIKVEJEEVWHQI-SGMGOOAPSA-N 1 2 248.370 2.896 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000891481451 711532257 /nfs/dbraw/zinc/53/22/57/711532257.db2.gz YMVKZVLIGUURAF-UHFFFAOYSA-N 1 2 235.283 2.822 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000891481451 711532259 /nfs/dbraw/zinc/53/22/59/711532259.db2.gz YMVKZVLIGUURAF-UHFFFAOYSA-N 1 2 235.283 2.822 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)C[C@H]2C)c(C)[nH+]1 ZINC000724778414 711612786 /nfs/dbraw/zinc/61/27/86/711612786.db2.gz YYGXJKJGXVTLFD-MRVPVSSYSA-N 1 2 243.301 2.646 20 0 BFADLO Cc1cc(NCc2cncs2)nc(C(C)C)[nH+]1 ZINC000168662832 711684893 /nfs/dbraw/zinc/68/48/93/711684893.db2.gz FOPPBQOGSIHPCF-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000084376714 711924643 /nfs/dbraw/zinc/92/46/43/711924643.db2.gz NNBAIQAJEMRZRF-UHFFFAOYSA-N 1 2 239.746 2.543 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000084376716 711924852 /nfs/dbraw/zinc/92/48/52/711924852.db2.gz RPUKHJQEIAFHKZ-UHFFFAOYSA-N 1 2 239.746 2.543 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(Br)o2)[C@H]1C ZINC000706788728 712155472 /nfs/dbraw/zinc/15/54/72/712155472.db2.gz KVIIJQYFYWXGMW-YUMQZZPRSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(Br)o2)[C@H]1C ZINC000706788728 712155474 /nfs/dbraw/zinc/15/54/74/712155474.db2.gz KVIIJQYFYWXGMW-YUMQZZPRSA-N 1 2 244.132 2.882 20 0 BFADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000708951155 712204657 /nfs/dbraw/zinc/20/46/57/712204657.db2.gz HDXOAQAARFKACK-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1F ZINC000708981152 712205264 /nfs/dbraw/zinc/20/52/64/712205264.db2.gz KKESPCXKJHHAFH-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO CC[NH2+]Cc1noc(C[C@@H](CC)C(C)(C)C)n1 ZINC000711149659 712286471 /nfs/dbraw/zinc/28/64/71/712286471.db2.gz UMKZBTBJXDZOQB-SNVBAGLBSA-N 1 2 239.363 2.794 20 0 BFADLO c1ccc(NC[C@H]2CCC3(CCC3)CO2)[nH+]c1 ZINC000716542800 712567229 /nfs/dbraw/zinc/56/72/29/712567229.db2.gz SGLQUSZIZCZMIH-GFCCVEGCSA-N 1 2 232.327 2.843 20 0 BFADLO Cc1cc(N)nc(SC2CC3(CCC3)C2)[nH+]1 ZINC000717514053 712660135 /nfs/dbraw/zinc/66/01/35/712660135.db2.gz DWKZADRTRBXFBI-UHFFFAOYSA-N 1 2 235.356 2.792 20 0 BFADLO CC(C)(CC[N@@H+]1CCC[C@H]1c1nc[nH]n1)C1CC1 ZINC000931142470 712713499 /nfs/dbraw/zinc/71/34/99/712713499.db2.gz OCHAJWVISGKXHJ-LBPRGKRZSA-N 1 2 248.374 2.768 20 0 BFADLO CC(C)(CC[N@H+]1CCC[C@H]1c1nc[nH]n1)C1CC1 ZINC000931142470 712713501 /nfs/dbraw/zinc/71/35/01/712713501.db2.gz OCHAJWVISGKXHJ-LBPRGKRZSA-N 1 2 248.374 2.768 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2)no1 ZINC000720350708 712832491 /nfs/dbraw/zinc/83/24/91/712832491.db2.gz KDLMSXILOJBORZ-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)C(F)F ZINC000720733362 712862633 /nfs/dbraw/zinc/86/26/33/712862633.db2.gz AOBAYBGITAEJIZ-RKDXNWHRSA-N 1 2 241.281 2.753 20 0 BFADLO CCOc1cc(F)c(C[NH+]2CC(C)C2)c(F)c1 ZINC001143565227 962980219 /nfs/dbraw/zinc/98/02/19/962980219.db2.gz UHEYYKXKZKTANY-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO [NH2+]=CNc1ccc2ccc(Cl)cc2n1 ZINC001157077583 963523243 /nfs/dbraw/zinc/52/32/43/963523243.db2.gz GBTGYDDAATYTSK-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)C(F)(F)F ZINC001161375210 964588299 /nfs/dbraw/zinc/58/82/99/964588299.db2.gz XSWNLKYVSSCBDW-SECBINFHSA-N 1 2 248.248 2.981 20 0 BFADLO COC[C@@H](Nc1cc(SC)cc[nH+]1)C1CC1 ZINC001161726096 964714256 /nfs/dbraw/zinc/71/42/56/964714256.db2.gz IHXNEPCXCBBCOC-LLVKDONJSA-N 1 2 238.356 2.640 20 0 BFADLO Cc1cc(N2CC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC001163727442 965539822 /nfs/dbraw/zinc/53/98/22/965539822.db2.gz ROWCQAMQLYOBRO-UHFFFAOYSA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cc(NC[C@@H]2CC(C)(C)O2)c[nH+]c1C ZINC001168456729 965768068 /nfs/dbraw/zinc/76/80/68/965768068.db2.gz QMZSJFWTTBWMJI-LBPRGKRZSA-N 1 2 220.316 2.678 20 0 BFADLO C[C@H]1C[C@@H](CF)N(c2cc(N)cc(Cl)[nH+]2)C1 ZINC001164259046 965813144 /nfs/dbraw/zinc/81/31/44/965813144.db2.gz RMTKLHQPOKRDBN-CBAPKCEASA-N 1 2 243.713 2.502 20 0 BFADLO FC(F)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001204548146 967048483 /nfs/dbraw/zinc/04/84/83/967048483.db2.gz ZRFSGHPFJUSTBZ-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001204548146 967048493 /nfs/dbraw/zinc/04/84/93/967048493.db2.gz ZRFSGHPFJUSTBZ-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO COC(C)(C)Cc1c[nH+]c(N)cc1C(F)(F)F ZINC001250351177 967747053 /nfs/dbraw/zinc/74/70/53/967747053.db2.gz FDFSEXQIZRKWGF-UHFFFAOYSA-N 1 2 248.248 2.650 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1C=C(C)C ZINC001240635200 968595331 /nfs/dbraw/zinc/59/53/31/968595331.db2.gz FOPJXCAVFILFMD-UHFFFAOYSA-N 1 2 202.257 2.995 20 0 BFADLO C[C@H](CCCC(C)(C)O)CC[NH+]1CC(C)(F)C1 ZINC001207635062 968852630 /nfs/dbraw/zinc/85/26/30/968852630.db2.gz HHOUUBOLLZBPRP-GFCCVEGCSA-N 1 2 245.382 2.998 20 0 BFADLO CC(C)CCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001208734475 969223171 /nfs/dbraw/zinc/22/31/71/969223171.db2.gz ZJBCYUILCISDPB-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001208734475 969223183 /nfs/dbraw/zinc/22/31/83/969223183.db2.gz ZJBCYUILCISDPB-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO CCCCOC1C[NH+](C[C@@H](C)C(F)(F)F)C1 ZINC001208893563 969279470 /nfs/dbraw/zinc/27/94/70/969279470.db2.gz KUPYUBIQHRUCIJ-SECBINFHSA-N 1 2 239.281 2.686 20 0 BFADLO Fc1cc(F)cc(CC[N@@H+]2CCC[C@@H](F)C2)c1 ZINC001209139461 969353834 /nfs/dbraw/zinc/35/38/34/969353834.db2.gz YTWKDCDDDBPLIU-LLVKDONJSA-N 1 2 243.272 2.941 20 0 BFADLO C/C(=C\C=C\[NH3+])N[C@@H](C1CCC1)C(F)(F)F ZINC001169286399 969555796 /nfs/dbraw/zinc/55/57/96/969555796.db2.gz UOGMMLLUJFWUCA-ZUGQEYSVSA-N 1 2 234.265 2.683 20 0 BFADLO CCCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC001157088991 970086589 /nfs/dbraw/zinc/08/65/89/970086589.db2.gz WDSCVQQKGPBABV-UHFFFAOYSA-N 1 2 235.331 2.501 20 0 BFADLO Cc1ncc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213524627 970345130 /nfs/dbraw/zinc/34/51/30/970345130.db2.gz AQYJDLHURQWGHX-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC1(F)F ZINC001255856515 970522414 /nfs/dbraw/zinc/52/24/14/970522414.db2.gz VBQBXQKFDDOQGC-KWQFWETISA-N 1 2 229.245 2.754 20 0 BFADLO COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC2(F)F)c1 ZINC001256141240 970670675 /nfs/dbraw/zinc/67/06/75/970670675.db2.gz OSNBOOOKRNWKEK-BXKDBHETSA-N 1 2 241.281 2.623 20 0 BFADLO CCSC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001173298600 975187216 /nfs/dbraw/zinc/18/72/16/975187216.db2.gz AAQDNROZHJBSHX-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCSC[C@@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001173298600 975187219 /nfs/dbraw/zinc/18/72/19/975187219.db2.gz AAQDNROZHJBSHX-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1cc[nH+]c(C)c1OC1CCC(=O)CC1 ZINC001227260502 975335810 /nfs/dbraw/zinc/33/58/10/975335810.db2.gz RVEDXKAFBHZUCG-UHFFFAOYSA-N 1 2 219.284 2.589 20 0 BFADLO Cc1cc[nH+]c(C)c1OC[C@@H]1CC[C@H](C)O1 ZINC001227260880 975336642 /nfs/dbraw/zinc/33/66/42/975336642.db2.gz WEXXHYGVNHJXIC-JQWIXIFHSA-N 1 2 221.300 2.645 20 0 BFADLO CC(C)OC(=O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001333451523 975790172 /nfs/dbraw/zinc/79/01/72/975790172.db2.gz HNUYXTOLCQWREF-UHFFFAOYSA-N 1 2 239.359 2.641 20 0 BFADLO Cc1cc(Cl)ncc1OC1C[NH+](C(C)C)C1 ZINC001228533315 976296181 /nfs/dbraw/zinc/29/61/81/976296181.db2.gz QIDPHIZACDHMFZ-UHFFFAOYSA-N 1 2 240.734 2.515 20 0 BFADLO Clc1n[nH]c(C2CC2)c1C[N@H+]1CC=CCC1 ZINC001335480950 977091454 /nfs/dbraw/zinc/09/14/54/977091454.db2.gz DOVBXKBJUBTBRN-UHFFFAOYSA-N 1 2 237.734 2.702 20 0 BFADLO Clc1n[nH]c(C2CC2)c1C[N@@H+]1CC=CCC1 ZINC001335480950 977091462 /nfs/dbraw/zinc/09/14/62/977091462.db2.gz DOVBXKBJUBTBRN-UHFFFAOYSA-N 1 2 237.734 2.702 20 0 BFADLO CCOc1cc(Nc2cncs2)cc(C)[nH+]1 ZINC001175495777 977453920 /nfs/dbraw/zinc/45/39/20/977453920.db2.gz TUJRCGXNSNJPSY-UHFFFAOYSA-N 1 2 235.312 2.989 20 0 BFADLO CC[N@H+](Cc1ccns1)Cc1cccnc1 ZINC001232192236 977915604 /nfs/dbraw/zinc/91/56/04/977915604.db2.gz ZACHZNSHJLXLQK-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1ccns1)Cc1cccnc1 ZINC001232192236 977915612 /nfs/dbraw/zinc/91/56/12/977915612.db2.gz ZACHZNSHJLXLQK-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO c1cc2c(s1)CC[N@@H+](Cc1cnsc1)C2 ZINC001232226571 977956862 /nfs/dbraw/zinc/95/68/62/977956862.db2.gz VHSPORFPKVFGMH-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc2c(s1)CC[N@H+](Cc1cnsc1)C2 ZINC001232226571 977956866 /nfs/dbraw/zinc/95/68/66/977956866.db2.gz VHSPORFPKVFGMH-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Cc1cc(F)cc(N2CCCC(F)(F)C2)[nH+]1 ZINC001339756873 978906057 /nfs/dbraw/zinc/90/60/57/978906057.db2.gz PIWUQNMVCFHTHC-UHFFFAOYSA-N 1 2 230.233 2.765 20 0 BFADLO Cc1ccc(Nc2cncnc2Cl)c(C)[nH+]1 ZINC001203367638 979239082 /nfs/dbraw/zinc/23/90/82/979239082.db2.gz NLOXOZFMBSVCOR-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO FC(F)(F)Cc1ccc[nH+]c1N1CCCC1 ZINC001250030604 979395830 /nfs/dbraw/zinc/39/58/30/979395830.db2.gz KOQWDTGZNZVGDB-UHFFFAOYSA-N 1 2 230.233 2.787 20 0 BFADLO Cc1cc(Cl)cc(C)c1C[NH+]1CC(C)(O)C1 ZINC001237355664 979874743 /nfs/dbraw/zinc/87/47/43/979874743.db2.gz RHUGAVHAPFFIFA-UHFFFAOYSA-N 1 2 239.746 2.523 20 0 BFADLO C[NH+](C)Cc1ccnc(Br)c1Cl ZINC001238373350 980240948 /nfs/dbraw/zinc/24/09/48/980240948.db2.gz VGTAQVJNNIIHGM-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO CSc1cc(C)cc(C[NH+]2CCOCC2)c1 ZINC001238676282 980310358 /nfs/dbraw/zinc/31/03/58/980310358.db2.gz VFSULMRVPMNZIU-UHFFFAOYSA-N 1 2 237.368 2.549 20 0 BFADLO CCCCCC(=O)OCc1c[nH+]cn1CC ZINC001347972373 981232251 /nfs/dbraw/zinc/23/22/51/981232251.db2.gz OTGOMTVEPKCFOH-UHFFFAOYSA-N 1 2 224.304 2.527 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791514 981744824 /nfs/dbraw/zinc/74/48/24/981744824.db2.gz JEDWMVJSOVAJJZ-LBPRGKRZSA-N 1 2 234.343 2.885 20 0 BFADLO CCc1cc(NCCC(F)F)nc(CC)[nH+]1 ZINC001354400866 983301315 /nfs/dbraw/zinc/30/13/15/983301315.db2.gz MGZGVMITJYPLSD-UHFFFAOYSA-N 1 2 229.274 2.669 20 0 BFADLO CCCCCC[C@@H](CCC)[N@@H+]1CCOC(=O)C1 ZINC001172382910 974726771 /nfs/dbraw/zinc/72/67/71/974726771.db2.gz IJJMYHDPLAPXGF-CYBMUJFWSA-N 1 2 241.375 2.984 20 0 BFADLO CCCCCC[C@@H](CCC)[N@H+]1CCOC(=O)C1 ZINC001172382910 974726775 /nfs/dbraw/zinc/72/67/75/974726775.db2.gz IJJMYHDPLAPXGF-CYBMUJFWSA-N 1 2 241.375 2.984 20 0 BFADLO C[C@@H]1CCC[C@@H](OCc2c[nH+]cn2C)[C@H]1C ZINC001222600595 972595979 /nfs/dbraw/zinc/59/59/79/972595979.db2.gz RIUKGKWSQSPOOB-NTZNESFSSA-N 1 2 222.332 2.761 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)c(OC)cc1C ZINC001243473534 970765224 /nfs/dbraw/zinc/76/52/24/970765224.db2.gz WSBWOUNNKJZZSY-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246837043 973138947 /nfs/dbraw/zinc/13/89/47/973138947.db2.gz PCQMZKRSBAUBCN-SDDRHHMPSA-N 1 2 248.361 2.870 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246837043 973138963 /nfs/dbraw/zinc/13/89/63/973138963.db2.gz PCQMZKRSBAUBCN-SDDRHHMPSA-N 1 2 248.361 2.870 20 0 BFADLO CC(C)CC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001256368719 970781593 /nfs/dbraw/zinc/78/15/93/970781593.db2.gz CRWAWIIBMGYJFV-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001256368719 970781601 /nfs/dbraw/zinc/78/16/01/970781601.db2.gz CRWAWIIBMGYJFV-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001256368717 970779123 /nfs/dbraw/zinc/77/91/23/970779123.db2.gz CRWAWIIBMGYJFV-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001256368717 970779134 /nfs/dbraw/zinc/77/91/34/970779134.db2.gz CRWAWIIBMGYJFV-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO COC[C@@H](C)CNc1[nH+]cccc1OC(C)C ZINC000127980983 973686385 /nfs/dbraw/zinc/68/63/85/973686385.db2.gz CDJMDQNVBDTAJE-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO C[C@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)CCC1=O ZINC001256685960 970922957 /nfs/dbraw/zinc/92/29/57/970922957.db2.gz QFOSYDBIBAQYNP-IINYFYTJSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCC1=O ZINC001256685960 970922966 /nfs/dbraw/zinc/92/29/66/970922966.db2.gz QFOSYDBIBAQYNP-IINYFYTJSA-N 1 2 247.313 2.724 20 0 BFADLO Cc1cc(Cl)c(N)c(Nc2[nH+]cccc2N)c1 ZINC001216088897 970934163 /nfs/dbraw/zinc/93/41/63/970934163.db2.gz IBDCVMRUOUMYHG-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](SC)C1 ZINC000234952463 973794438 /nfs/dbraw/zinc/79/44/38/973794438.db2.gz IFWBXBAUQKJSQO-VHSXEESVSA-N 1 2 238.356 2.786 20 0 BFADLO COc1ncc(Nc2c[nH+]c(C)cc2C)cc1O ZINC001216205894 970985189 /nfs/dbraw/zinc/98/51/89/970985189.db2.gz CXBWICPKAQEIII-UHFFFAOYSA-N 1 2 245.282 2.551 20 0 BFADLO CC1(F)C[NH+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256812070 970993556 /nfs/dbraw/zinc/99/35/56/970993556.db2.gz QUCRWGSZTQMDLD-UONOGXRCSA-N 1 2 249.329 2.951 20 0 BFADLO c1c(C2=C[NH2+]CCC2)nc(C2CC2)nc1C1CC1 ZINC001243948756 971036046 /nfs/dbraw/zinc/03/60/46/971036046.db2.gz KYVUGWJMDYJGEC-UHFFFAOYSA-N 1 2 241.338 2.956 20 0 BFADLO CCCC[C@H](CC)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001257418913 971304050 /nfs/dbraw/zinc/30/40/50/971304050.db2.gz PUEAAQYTBWHNMZ-VIFPVBQESA-N 1 2 239.281 2.564 20 0 BFADLO CCCCCC[C@H](CC)[N@@H+]1CCOC(=O)C1 ZINC001170604871 971328786 /nfs/dbraw/zinc/32/87/86/971328786.db2.gz XJQXEUXDFPQPGU-LBPRGKRZSA-N 1 2 227.348 2.594 20 0 BFADLO CCCCCC[C@H](CC)[N@H+]1CCOC(=O)C1 ZINC001170604871 971328796 /nfs/dbraw/zinc/32/87/96/971328796.db2.gz XJQXEUXDFPQPGU-LBPRGKRZSA-N 1 2 227.348 2.594 20 0 BFADLO CC[C@H](C)[NH+]1CC(Oc2ccccc2F)C1 ZINC001257444522 971360303 /nfs/dbraw/zinc/36/03/03/971360303.db2.gz WETKJODGWCIWOZ-JTQLQIEISA-N 1 2 223.291 2.687 20 0 BFADLO C[C@H](c1nnc(C2CCCC2)o1)n1cc[nH+]c1 ZINC001257524381 971446146 /nfs/dbraw/zinc/44/61/46/971446146.db2.gz GWEHTVGNWNZAOC-SECBINFHSA-N 1 2 232.287 2.533 20 0 BFADLO CC(C)(C)Cc1nnc(C[NH+]2CCCCC2)o1 ZINC001257830308 971498085 /nfs/dbraw/zinc/49/80/85/971498085.db2.gz FCFXXYKZSYRZPI-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CC(C)[N@@H+]1CC[C@H]1c1nnc(CC(C)(C)C)o1 ZINC001257875972 971516639 /nfs/dbraw/zinc/51/66/39/971516639.db2.gz QRKBQNSZNOFDIB-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)[N@H+]1CC[C@H]1c1nnc(CC(C)(C)C)o1 ZINC001257875972 971516646 /nfs/dbraw/zinc/51/66/46/971516646.db2.gz QRKBQNSZNOFDIB-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(S)cc1 ZINC001217984722 971562387 /nfs/dbraw/zinc/56/23/87/971562387.db2.gz HBWSCSGDLGYPIF-GXFFZTMASA-N 1 2 237.368 2.742 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(S)cc1 ZINC001217984721 971563005 /nfs/dbraw/zinc/56/30/05/971563005.db2.gz HBWSCSGDLGYPIF-GWCFXTLKSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1cccc(O[C@@H]2CC[NH2+]CC2(F)F)c1F ZINC001218008509 971568723 /nfs/dbraw/zinc/56/87/23/971568723.db2.gz ZIWYABSKNAVGHA-SNVBAGLBSA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cc(O[C@@H]2CC[NH2+]CC2(F)F)ccc1F ZINC001218004151 971568739 /nfs/dbraw/zinc/56/87/39/971568739.db2.gz BAZZGIRUSGQKIJ-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(C)c1 ZINC001218004061 971569847 /nfs/dbraw/zinc/56/98/47/971569847.db2.gz ALZJNOXJHNFCLD-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cc(C)cc(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005464 971570285 /nfs/dbraw/zinc/57/02/85/971570285.db2.gz KMVXUSXPZBSSCS-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1ccc(F)cc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006157 971570807 /nfs/dbraw/zinc/57/08/07/971570807.db2.gz KJALHUCVLKRTMW-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO Sc1ccccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090645 971596380 /nfs/dbraw/zinc/59/63/80/971596380.db2.gz BXHIEDMJUZERLR-KBPBESRZSA-N 1 2 249.379 2.886 20 0 BFADLO Sc1cccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218088907 971597418 /nfs/dbraw/zinc/59/74/18/971597418.db2.gz GIMQOOKRBOSKIF-UONOGXRCSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121651 971603931 /nfs/dbraw/zinc/60/39/31/971603931.db2.gz WUFQQWNLKZVXIO-KBPBESRZSA-N 1 2 249.379 2.805 20 0 BFADLO C[C@H](Cc1ccccc1)Oc1cc(N)cc[nH+]1 ZINC001218292716 971689137 /nfs/dbraw/zinc/68/91/37/971689137.db2.gz SEZRQKLXZQXQRI-LLVKDONJSA-N 1 2 228.295 2.674 20 0 BFADLO C[C@H]1CC[C@H](Oc2cc(N)cc[nH+]2)CC1 ZINC001218295052 971696311 /nfs/dbraw/zinc/69/63/11/971696311.db2.gz XKCKXJJXDLGUQM-HOMQSWHASA-N 1 2 206.289 2.621 20 0 BFADLO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(S)cc1 ZINC001218312497 971703495 /nfs/dbraw/zinc/70/34/95/971703495.db2.gz DJLMVKZEIBQLOS-GFCCVEGCSA-N 1 2 237.368 2.742 20 0 BFADLO C[C@@H]1CCC[C@H](C)[C@H]1Oc1cc(N)cc[nH+]1 ZINC001218352922 971722900 /nfs/dbraw/zinc/72/29/00/971722900.db2.gz ODXIHXOZKFTEMO-IWIIMEHWSA-N 1 2 220.316 2.867 20 0 BFADLO CCCOc1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245231984 971729807 /nfs/dbraw/zinc/72/98/07/971729807.db2.gz ORDDBGXKBNOJHW-UHFFFAOYSA-N 1 2 243.310 2.823 20 0 BFADLO Cc1cc(-c2ccc(C(F)F)cn2)c[nH+]c1N ZINC001245538841 971849372 /nfs/dbraw/zinc/84/93/72/971849372.db2.gz IKNXBTWVFABQOG-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO COCc1ccc(-c2c[nH+]c(N)c(C)c2)c(F)c1 ZINC001245540404 971851830 /nfs/dbraw/zinc/85/18/30/971851830.db2.gz RBQIJNCTAXVFRK-UHFFFAOYSA-N 1 2 246.285 2.925 20 0 BFADLO CC/C=C\CCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001208134397 956986606 /nfs/dbraw/zinc/98/66/06/956986606.db2.gz JSEXPFSAUCDYAL-VSQXVHSFSA-N 1 2 247.329 2.825 20 0 BFADLO CC/C=C\CCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001208134397 956986628 /nfs/dbraw/zinc/98/66/28/956986628.db2.gz JSEXPFSAUCDYAL-VSQXVHSFSA-N 1 2 247.329 2.825 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)cc(C)c1F ZINC001143374464 957060194 /nfs/dbraw/zinc/06/01/94/957060194.db2.gz YQOJXGXBFLBURG-LBPRGKRZSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)cc(C)c1F ZINC001143374464 957060204 /nfs/dbraw/zinc/06/02/04/957060204.db2.gz YQOJXGXBFLBURG-LBPRGKRZSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC(c2cccnc2)C1 ZINC001167067443 957071445 /nfs/dbraw/zinc/07/14/45/957071445.db2.gz CRFXAJRYEGZXQI-UHFFFAOYSA-N 1 2 243.285 2.528 20 0 BFADLO COc1cc(Nc2cc(C)cnc2F)[nH+]cc1C ZINC001211501334 957079875 /nfs/dbraw/zinc/07/98/75/957079875.db2.gz HPGDVOQATCMBOM-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Clc1nc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC001139978428 957245572 /nfs/dbraw/zinc/24/55/72/957245572.db2.gz RSXLVYFXEYSQIE-IONNQARKSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1nc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC001139978428 957245585 /nfs/dbraw/zinc/24/55/85/957245585.db2.gz RSXLVYFXEYSQIE-IONNQARKSA-N 1 2 228.748 2.781 20 0 BFADLO CCC(CC)N(CC)c1cc(N(C)C)[nH+]cn1 ZINC001167107452 957373428 /nfs/dbraw/zinc/37/34/28/957373428.db2.gz UNZHUJZIJVTOQO-UHFFFAOYSA-N 1 2 236.363 2.558 20 0 BFADLO CCC(CC)N(CC)c1cc(N(C)C)nc[nH+]1 ZINC001167107452 957373435 /nfs/dbraw/zinc/37/34/35/957373435.db2.gz UNZHUJZIJVTOQO-UHFFFAOYSA-N 1 2 236.363 2.558 20 0 BFADLO Cc1noc(Nc2ccc3[nH]c[nH+]c3c2)c1C ZINC001209841397 957540937 /nfs/dbraw/zinc/54/09/37/957540937.db2.gz MRVRDSVSNILMJF-UHFFFAOYSA-N 1 2 228.255 2.911 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001167217092 957551464 /nfs/dbraw/zinc/55/14/64/957551464.db2.gz JOLPKVRAZBMYSN-OCCSQVGLSA-N 1 2 244.338 2.574 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001167217095 957551512 /nfs/dbraw/zinc/55/15/12/957551512.db2.gz JOLPKVRAZBMYSN-TZMCWYRMSA-N 1 2 244.338 2.574 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001167217090 957552008 /nfs/dbraw/zinc/55/20/08/957552008.db2.gz JOLPKVRAZBMYSN-JSGCOSHPSA-N 1 2 244.338 2.574 20 0 BFADLO COc1cc(Nc2ccc(F)cc2O)cc(C)[nH+]1 ZINC001210016131 957602850 /nfs/dbraw/zinc/60/28/50/957602850.db2.gz VPSKARNUTLGSPI-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Nc1[nH+]cccc1-c1cccnc1C(F)(F)F ZINC000706191316 957668851 /nfs/dbraw/zinc/66/88/51/957668851.db2.gz ONRBPNLLTVRLCA-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cn3ccccc3n2)C1 ZINC001136875875 972284710 /nfs/dbraw/zinc/28/47/10/972284710.db2.gz INUWCEDYBBRCOT-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cn3ccccc3n2)C1 ZINC001136875875 972284717 /nfs/dbraw/zinc/28/47/17/972284717.db2.gz INUWCEDYBBRCOT-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO F[C@@H]1CCCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC001136876317 972289661 /nfs/dbraw/zinc/28/96/61/972289661.db2.gz ZLDMBYTVJVYCLK-GFCCVEGCSA-N 1 2 247.317 2.658 20 0 BFADLO F[C@@H]1CCCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC001136876317 972289666 /nfs/dbraw/zinc/28/96/66/972289666.db2.gz ZLDMBYTVJVYCLK-GFCCVEGCSA-N 1 2 247.317 2.658 20 0 BFADLO Cc1[nH+]c(C(C)(C)C)nc(NC2CC(=O)C2)c1C ZINC001167339152 957795540 /nfs/dbraw/zinc/79/55/40/957795540.db2.gz UMYCYNPCVYRDTK-UHFFFAOYSA-N 1 2 247.342 2.534 20 0 BFADLO Clc1ccc(C[NH+]2CC3(CCC3)C2)nc1 ZINC001136925902 972299343 /nfs/dbraw/zinc/29/93/43/972299343.db2.gz XGPUZEFSCYFIBM-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO COc1cc(Nc2ncc(C)nc2C)cc(C)[nH+]1 ZINC001210774646 957872791 /nfs/dbraw/zinc/87/27/91/957872791.db2.gz PYAKXFSSGYJDEK-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1cc(Nc2cnc(C)nc2C)cc(C)[nH+]1 ZINC001210779594 957875824 /nfs/dbraw/zinc/87/58/24/957875824.db2.gz UNUADPAUHWSABW-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1c(F)ccc(C[N@@H+]2CC[C@H]2C)c1F ZINC001143320216 972307244 /nfs/dbraw/zinc/30/72/44/972307244.db2.gz GOLNCGBYPDLEHC-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(C[N@H+]2CC[C@H]2C)c1F ZINC001143320216 972307249 /nfs/dbraw/zinc/30/72/49/972307249.db2.gz GOLNCGBYPDLEHC-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1ccc(Nc2c(C)cccc2CO)[nH+]c1 ZINC001211013383 957988058 /nfs/dbraw/zinc/98/80/58/957988058.db2.gz WDXIAQITCASNRH-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CC1(C)CCC[N@@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137010376 972325677 /nfs/dbraw/zinc/32/56/77/972325677.db2.gz PBOAJUWYDUHKOI-UHFFFAOYSA-N 1 2 247.264 2.803 20 0 BFADLO CC1(C)CCC[N@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137010376 972325682 /nfs/dbraw/zinc/32/56/82/972325682.db2.gz PBOAJUWYDUHKOI-UHFFFAOYSA-N 1 2 247.264 2.803 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@H]2C)c(Cl)n1 ZINC000706747877 958178187 /nfs/dbraw/zinc/17/81/87/958178187.db2.gz HBMDFJJDESOAMF-SECBINFHSA-N 1 2 210.708 2.638 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@H]2C)c(Cl)n1 ZINC000706747877 958178195 /nfs/dbraw/zinc/17/81/95/958178195.db2.gz HBMDFJJDESOAMF-SECBINFHSA-N 1 2 210.708 2.638 20 0 BFADLO CCCCC[C@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246457013 972327192 /nfs/dbraw/zinc/32/71/92/972327192.db2.gz BXGPXFRNZKDVNA-QWRGUYRKSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246457013 972327198 /nfs/dbraw/zinc/32/71/98/972327198.db2.gz BXGPXFRNZKDVNA-QWRGUYRKSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246457011 972327704 /nfs/dbraw/zinc/32/77/04/972327704.db2.gz BXGPXFRNZKDVNA-MNOVXSKESA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246457011 972327712 /nfs/dbraw/zinc/32/77/12/972327712.db2.gz BXGPXFRNZKDVNA-MNOVXSKESA-N 1 2 234.334 2.542 20 0 BFADLO CSc1cc(Nc2c[nH+]cc(C)c2C)nn1C ZINC001213527400 958207995 /nfs/dbraw/zinc/20/79/95/958207995.db2.gz JKOMNXQIHULZTA-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(C(N)=O)cc2)c1C ZINC001213528655 958227986 /nfs/dbraw/zinc/22/79/86/958227986.db2.gz KCABMESVNVWQTK-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO COc1cnc(F)cc1Nc1cc(C)cc(C)[nH+]1 ZINC001215803568 958323786 /nfs/dbraw/zinc/32/37/86/958323786.db2.gz AVHGHESRDWGMNB-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001140477434 958578317 /nfs/dbraw/zinc/57/83/17/958578317.db2.gz DUBCWEJJEVUYGX-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(F)cc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001140477434 958578334 /nfs/dbraw/zinc/57/83/34/958578334.db2.gz DUBCWEJJEVUYGX-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO Cc1ccc2c(c1)[C@@H](OCCn1cc[nH+]c1)CC2 ZINC001222130004 972377929 /nfs/dbraw/zinc/37/79/29/972377929.db2.gz WPDLYCRVAMXEPF-HNNXBMFYSA-N 1 2 242.322 2.896 20 0 BFADLO Cc1ccc([C@H](C)OCCn2cc[nH+]c2)cc1 ZINC001222138577 972388318 /nfs/dbraw/zinc/38/83/18/972388318.db2.gz HWSWEWVADCKEDN-ZDUSSCGKSA-N 1 2 230.311 2.969 20 0 BFADLO COc1cccc(F)c1CNc1cc[nH+]c(C)n1 ZINC001167615403 959079817 /nfs/dbraw/zinc/07/98/17/959079817.db2.gz VAVIIMPVBHIWJM-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO Nc1cc(CNc2ccc3c(c2)C=CC3)cc[nH+]1 ZINC001167616322 959081126 /nfs/dbraw/zinc/08/11/26/959081126.db2.gz GCZQETRCRDNJJH-UHFFFAOYSA-N 1 2 237.306 2.845 20 0 BFADLO Cc1cc(Cl)cnc1NCc1cc[nH+]c(N)c1 ZINC001167617646 959085701 /nfs/dbraw/zinc/08/57/01/959085701.db2.gz SXUAAEQVQISYED-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Nc1cc(CNc2ccc(C3CC3)nc2)cc[nH+]1 ZINC001167618901 959095587 /nfs/dbraw/zinc/09/55/87/959095587.db2.gz PNLRMSLPEIMPNX-UHFFFAOYSA-N 1 2 240.310 2.548 20 0 BFADLO Cc1cc(Nc2[nH+]cc(O)cc2C)ccc1CO ZINC001211570722 959250106 /nfs/dbraw/zinc/25/01/06/959250106.db2.gz OTKGRMJEGPNJDJ-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CC[C@H]2C)c1F ZINC001143971889 972447035 /nfs/dbraw/zinc/44/70/35/972447035.db2.gz ZQIJIDMMPWZILB-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CC[C@H]2C)c1F ZINC001143971889 972447038 /nfs/dbraw/zinc/44/70/38/972447038.db2.gz ZQIJIDMMPWZILB-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@@H]1CCC[C@@H](C)C1Oc1ccc[nH+]c1N ZINC001218352655 959988424 /nfs/dbraw/zinc/98/84/24/959988424.db2.gz JMUXOSAZWIMSCH-NXEZZACHSA-N 1 2 220.316 2.867 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1cc(Cl)ccn1 ZINC000092407368 960130530 /nfs/dbraw/zinc/13/05/30/960130530.db2.gz GNRXQCFNZPCJCS-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1cc(Cl)ccn1 ZINC000092407368 960130537 /nfs/dbraw/zinc/13/05/37/960130537.db2.gz GNRXQCFNZPCJCS-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO COc1cc(C[NH+]2CCC2)cc(C(F)(F)F)c1 ZINC001143508990 960497320 /nfs/dbraw/zinc/49/73/20/960497320.db2.gz VSRNUPDCTHHAHC-UHFFFAOYSA-N 1 2 245.244 2.920 20 0 BFADLO Cc1cc([NH2+]C2(C3CCOCC3)CC2)ccc1N ZINC001167747589 960516195 /nfs/dbraw/zinc/51/61/95/960516195.db2.gz ZDDRHBQEWODKLH-UHFFFAOYSA-N 1 2 246.354 2.948 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2cccc(C)c2)n[nH]1 ZINC001203077064 960684950 /nfs/dbraw/zinc/68/49/50/960684950.db2.gz QKIJMXJZQVXJEB-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2cccc(C)c2)n[nH]1 ZINC001203077064 960684957 /nfs/dbraw/zinc/68/49/57/960684957.db2.gz QKIJMXJZQVXJEB-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1cccc(CC[N@@H+](C)Cc2csnn2)c1 ZINC001140996786 960790235 /nfs/dbraw/zinc/79/02/35/960790235.db2.gz BQUPKQHYGYUURN-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1cccc(CC[N@H+](C)Cc2csnn2)c1 ZINC001140996786 960790253 /nfs/dbraw/zinc/79/02/53/960790253.db2.gz BQUPKQHYGYUURN-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO COc1ccc([C@@H](C)[N@H+](C)Cc2ncco2)cc1 ZINC001141011038 960812440 /nfs/dbraw/zinc/81/24/40/960812440.db2.gz MVXVZTLXVHUOBK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2ncco2)cc1 ZINC001141011038 960812445 /nfs/dbraw/zinc/81/24/45/960812445.db2.gz MVXVZTLXVHUOBK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO CCC[N@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141131847 960882552 /nfs/dbraw/zinc/88/25/52/960882552.db2.gz MLXWKNVLXUHZIM-UHFFFAOYSA-N 1 2 234.130 2.625 20 0 BFADLO CCC[N@@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141131847 960882554 /nfs/dbraw/zinc/88/25/54/960882554.db2.gz MLXWKNVLXUHZIM-UHFFFAOYSA-N 1 2 234.130 2.625 20 0 BFADLO COc1c(F)cccc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001143521687 960896013 /nfs/dbraw/zinc/89/60/13/960896013.db2.gz DLLGLHSKRHQTOX-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1c(F)cccc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001143521687 960896015 /nfs/dbraw/zinc/89/60/15/960896015.db2.gz DLLGLHSKRHQTOX-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO C[N@H+](CCF)Cc1cc2cccnc2cc1F ZINC001141637012 961130230 /nfs/dbraw/zinc/13/02/30/961130230.db2.gz LIKYZTCIXVMFIO-UHFFFAOYSA-N 1 2 236.265 2.775 20 0 BFADLO C[N@@H+](CCF)Cc1cc2cccnc2cc1F ZINC001141637012 961130239 /nfs/dbraw/zinc/13/02/39/961130239.db2.gz LIKYZTCIXVMFIO-UHFFFAOYSA-N 1 2 236.265 2.775 20 0 BFADLO C[NH+](C)Cc1c(Cl)cc(O)cc1Cl ZINC001142102590 961250934 /nfs/dbraw/zinc/25/09/34/961250934.db2.gz XREYZYPCRYUPGG-UHFFFAOYSA-N 1 2 220.099 2.761 20 0 BFADLO Cc1nc(N[C@@H](C)[C@@H]2CCCO2)cc(C(C)C)[nH+]1 ZINC000709808833 961630181 /nfs/dbraw/zinc/63/01/81/961630181.db2.gz CFQBVBORPKRVOL-GWCFXTLKSA-N 1 2 249.358 2.888 20 0 BFADLO CCCOC1C[NH+](Cc2cc(C)cc(OC)c2)C1 ZINC001143157252 961892584 /nfs/dbraw/zinc/89/25/84/961892584.db2.gz JQRXLTDXMIQXMZ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO N#Cc1cc(C[N@H+]2CCC[C@@H]2CF)ccc1F ZINC000293162461 962096911 /nfs/dbraw/zinc/09/69/11/962096911.db2.gz UYQDHOGVUJZPFQ-GFCCVEGCSA-N 1 2 236.265 2.631 20 0 BFADLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CF)ccc1F ZINC000293162461 962096931 /nfs/dbraw/zinc/09/69/31/962096931.db2.gz UYQDHOGVUJZPFQ-GFCCVEGCSA-N 1 2 236.265 2.631 20 0 BFADLO c1cn2c(cccc2-c2ccc3nonc3c2)[nH+]1 ZINC001204946253 962138572 /nfs/dbraw/zinc/13/85/72/962138572.db2.gz ZATNCFFTEORFSY-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc[nH]n1 ZINC000130904087 962219843 /nfs/dbraw/zinc/21/98/43/962219843.db2.gz UBVLSVAZSDNDOH-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc[nH]n1 ZINC000130904087 962219862 /nfs/dbraw/zinc/21/98/62/962219862.db2.gz UBVLSVAZSDNDOH-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO CCc1coc(CNc2cc(SC)cc[nH+]2)n1 ZINC001154779471 962843837 /nfs/dbraw/zinc/84/38/37/962843837.db2.gz LIAKAGNDUDKXEQ-UHFFFAOYSA-N 1 2 249.339 2.966 20 0 BFADLO COc1cc(-c2cc(C)[nH+]c(C)c2)ccc1N ZINC000712378416 962875354 /nfs/dbraw/zinc/87/53/54/962875354.db2.gz VQIPAHJIDJTPDW-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCCN(CCC)c1cc(COC)cc[nH+]1 ZINC001155179740 963001229 /nfs/dbraw/zinc/00/12/29/963001229.db2.gz SFKUYBFTCHSMLL-UHFFFAOYSA-N 1 2 222.332 2.854 20 0 BFADLO Cc1nc(NCc2cccn2C)cc(C(C)C)[nH+]1 ZINC001155210090 963022152 /nfs/dbraw/zinc/02/21/52/963022152.db2.gz BFGTXGGFSJBMTN-UHFFFAOYSA-N 1 2 244.342 2.859 20 0 BFADLO Cc1cnccc1CNc1[nH+]ccc(F)c1C ZINC001155220257 963028242 /nfs/dbraw/zinc/02/82/42/963028242.db2.gz MRLCROLNCFJPOX-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO c1ccc2cc(N3CCOCC34CC4)[nH+]cc2c1 ZINC001155834490 963179246 /nfs/dbraw/zinc/17/92/46/963179246.db2.gz HJDWYHIQOUYLSP-UHFFFAOYSA-N 1 2 240.306 2.604 20 0 BFADLO Cc1cc[nH+]c(NCc2ncn3ccccc23)c1 ZINC001161680528 963179496 /nfs/dbraw/zinc/17/94/96/963179496.db2.gz FKWDOFFZBUKWGA-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO COc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1F ZINC000093091103 963327574 /nfs/dbraw/zinc/32/75/74/963327574.db2.gz GVMABTYKZFFLAU-SNVBAGLBSA-N 1 2 236.290 2.568 20 0 BFADLO COc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1F ZINC000093091103 963327585 /nfs/dbraw/zinc/32/75/85/963327585.db2.gz GVMABTYKZFFLAU-SNVBAGLBSA-N 1 2 236.290 2.568 20 0 BFADLO CC(C)(C)c1ccc(NC2CC(=O)C2)[nH+]c1 ZINC001156619807 963416272 /nfs/dbraw/zinc/41/62/72/963416272.db2.gz GNRZLWOXCNDVOQ-UHFFFAOYSA-N 1 2 218.300 2.523 20 0 BFADLO Nc1cccc2ccn(-c3ccn4cc[nH+]c4c3)c21 ZINC001204997684 963418665 /nfs/dbraw/zinc/41/86/65/963418665.db2.gz NPGHKUJSLGJJEK-UHFFFAOYSA-N 1 2 248.289 2.860 20 0 BFADLO c1nc2c(s1)CN(c1cccc(C3CC3)[nH+]1)C2 ZINC001156845459 963472881 /nfs/dbraw/zinc/47/28/81/963472881.db2.gz HDPZSGAFKGOSDB-UHFFFAOYSA-N 1 2 243.335 2.936 20 0 BFADLO Cc1cc(N2CC3CC(C3)C2)nc(C(C)(C)C)[nH+]1 ZINC001156901832 963488456 /nfs/dbraw/zinc/48/84/56/963488456.db2.gz BMBCSKASJOKQTR-UHFFFAOYSA-N 1 2 245.370 2.929 20 0 BFADLO CSc1cc[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC001157142082 963543680 /nfs/dbraw/zinc/54/36/80/963543680.db2.gz AOIRYHPBUDUNNJ-GXSJLCMTSA-N 1 2 220.341 2.792 20 0 BFADLO Cc1cc(N2CCC[C@@H]3C[C@@H]32)nc(C(C)C)[nH+]1 ZINC001157142658 963543739 /nfs/dbraw/zinc/54/37/39/963543739.db2.gz DCIFIVQWBFGCNL-NEPJUHHUSA-N 1 2 231.343 2.897 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC001157152096 963548973 /nfs/dbraw/zinc/54/89/73/963548973.db2.gz RRAKZBYOTVACIJ-WCQYABFASA-N 1 2 214.312 2.948 20 0 BFADLO CCC1(CNc2cc(C(C)C)[nH+]c(C)n2)COC1 ZINC001157542416 963653078 /nfs/dbraw/zinc/65/30/78/963653078.db2.gz YIMFWRQHAFKJPG-UHFFFAOYSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1nc(NC[C@@H]2CC(C)(C)O2)cc(C(C)C)[nH+]1 ZINC001157655619 963693048 /nfs/dbraw/zinc/69/30/48/963693048.db2.gz WVYUFHZNOHJFAL-NSHDSACASA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)cc(C)c1O ZINC001211903048 963705015 /nfs/dbraw/zinc/70/50/15/963705015.db2.gz AADZFBVBYYTFNR-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1nc(NCCCOC(C)C)c2c([nH+]1)CCC2 ZINC001157870291 963753585 /nfs/dbraw/zinc/75/35/85/963753585.db2.gz BOHADFSFPHFVEE-UHFFFAOYSA-N 1 2 249.358 2.501 20 0 BFADLO Cc1[nH]c2ccc(OC[C@@H]3CC[C@H](C)O3)cc2[nH+]1 ZINC001228326803 963758750 /nfs/dbraw/zinc/75/87/50/963758750.db2.gz LNHVEMWFFOJXNP-CABZTGNLSA-N 1 2 246.310 2.818 20 0 BFADLO COCc1cc[nH+]c(NCCC2CCC2)c1 ZINC001158049008 963799118 /nfs/dbraw/zinc/79/91/18/963799118.db2.gz SBRASVYNJMHCHM-UHFFFAOYSA-N 1 2 220.316 2.830 20 0 BFADLO Cc1cc(NCCOC(F)(F)F)c[nH+]c1C ZINC001168167521 963897071 /nfs/dbraw/zinc/89/70/71/963897071.db2.gz WXHAAVQVKYIRNZ-UHFFFAOYSA-N 1 2 234.221 2.647 20 0 BFADLO COc1c[nH+]c(NCCc2cncs2)c(C)c1 ZINC001158882635 963950442 /nfs/dbraw/zinc/95/04/42/963950442.db2.gz HMQTZOHKHSCUIL-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO CO[C@@H]1CCN(c2cccc(C3CC3)[nH+]2)[C@H](C)C1 ZINC001158903359 963953182 /nfs/dbraw/zinc/95/31/82/963953182.db2.gz WFBCGWXFWHHTCL-DGCLKSJQSA-N 1 2 246.354 2.963 20 0 BFADLO CN(CC(F)F)c1cccc(C2CC2)[nH+]1 ZINC001158933477 963959701 /nfs/dbraw/zinc/95/97/01/963959701.db2.gz ANTVABFYWHWKHB-UHFFFAOYSA-N 1 2 212.243 2.660 20 0 BFADLO Nc1cc(NC=Cc2ccc(Cl)cc2)nc[nH+]1 ZINC001159225104 964023622 /nfs/dbraw/zinc/02/36/22/964023622.db2.gz WIUALUZHWVNFIH-AATRIKPKSA-N 1 2 246.701 2.795 20 0 BFADLO CCOc1cc(F)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001159281155 964048709 /nfs/dbraw/zinc/04/87/09/964048709.db2.gz PAKORHNGSGUHGT-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)cc1N ZINC001214177632 964139048 /nfs/dbraw/zinc/13/90/48/964139048.db2.gz GRXLISWCHHMJHU-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO CCc1cccc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212095403 964250633 /nfs/dbraw/zinc/25/06/33/964250633.db2.gz GNSDYQLEWWHJIR-UHFFFAOYSA-N 1 2 243.310 2.505 20 0 BFADLO COc1cc(C)c[nH+]c1NC1(C(F)(F)F)CC1 ZINC001160824711 964415731 /nfs/dbraw/zinc/41/57/31/964415731.db2.gz IUONYIFDZRGJCO-UHFFFAOYSA-N 1 2 246.232 2.905 20 0 BFADLO Cc1nn(C)c(C)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213027044 964436082 /nfs/dbraw/zinc/43/60/82/964436082.db2.gz GHEZCCBTOLHLTF-UHFFFAOYSA-N 1 2 241.298 2.657 20 0 BFADLO C=Cc1ccc(NCCO[C@H]2CCCCO2)[nH+]c1 ZINC001160923936 964444501 /nfs/dbraw/zinc/44/45/01/964444501.db2.gz VOHJPBCNLQYNLX-AWEZNQCLSA-N 1 2 248.326 2.680 20 0 BFADLO CC[C@H](COC)Nc1cc(SC)cc[nH+]1 ZINC001160935258 964448105 /nfs/dbraw/zinc/44/81/05/964448105.db2.gz DIUXMMZOQLPGIM-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000924642585 964525257 /nfs/dbraw/zinc/52/52/57/964525257.db2.gz DGBUVHRVJXWICQ-KWQFWETISA-N 1 2 247.298 2.699 20 0 BFADLO Nc1ccc(O)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213032366 964591009 /nfs/dbraw/zinc/59/10/09/964591009.db2.gz BOICDCGQRFJLEB-UHFFFAOYSA-N 1 2 240.266 2.594 20 0 BFADLO COc1c[nH+]c(N[C@H]2CC=CCC2)c(C)c1 ZINC001161752807 964736681 /nfs/dbraw/zinc/73/66/81/964736681.db2.gz UEUGZMXCQJLKNH-NSHDSACASA-N 1 2 218.300 2.919 20 0 BFADLO Cc1ccc(CNc2[nH+]cnc3[nH]cc(F)c32)o1 ZINC001161760501 964739285 /nfs/dbraw/zinc/73/92/85/964739285.db2.gz TXXRKNZFGWIXOV-UHFFFAOYSA-N 1 2 246.245 2.562 20 0 BFADLO CNc1ccc(NCc2ccc(C)o2)c[nH+]1 ZINC001161768917 964743312 /nfs/dbraw/zinc/74/33/12/964743312.db2.gz BNQHPGNPZOCVGY-UHFFFAOYSA-N 1 2 217.272 2.637 20 0 BFADLO CC(C)COc1cc(NCC(F)F)cc[nH+]1 ZINC001161817837 964770974 /nfs/dbraw/zinc/77/09/74/964770974.db2.gz WQTIKXYFVHPKFA-UHFFFAOYSA-N 1 2 230.258 2.793 20 0 BFADLO FC1CC(Nc2ccc(-n3cccc3)c[nH+]2)C1 ZINC001162210819 964874797 /nfs/dbraw/zinc/87/47/97/964874797.db2.gz XMXBFPGBHVLMBC-UHFFFAOYSA-N 1 2 231.274 2.785 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)C1(Cl)CC1 ZINC000695687416 964945921 /nfs/dbraw/zinc/94/59/21/964945921.db2.gz YGDSTZWCEGNONB-YUMQZZPRSA-N 1 2 223.694 2.924 20 0 BFADLO Cc1cnccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001162716050 965142272 /nfs/dbraw/zinc/14/22/72/965142272.db2.gz DLXWDTOQHDKYLT-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CCc1cc(NC[C@@]2(C)CCCO2)nc(CC)[nH+]1 ZINC001162743164 965156596 /nfs/dbraw/zinc/15/65/96/965156596.db2.gz QCDDJVNLBDQBFP-CQSZACIVSA-N 1 2 249.358 2.582 20 0 BFADLO Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC1(F)F)C2 ZINC001168397166 965158240 /nfs/dbraw/zinc/15/82/40/965158240.db2.gz MIAMDVSOEDYKQQ-VXGBXAGGSA-N 1 2 241.256 2.680 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@@H]1CCCCO1 ZINC001224967018 965174068 /nfs/dbraw/zinc/17/40/68/965174068.db2.gz VKOMXIFGMHFLDO-LBPRGKRZSA-N 1 2 243.347 2.756 20 0 BFADLO COc1c[nH+]c(N[C@H](C)c2ccno2)c(C)c1 ZINC001163209160 965304907 /nfs/dbraw/zinc/30/49/07/965304907.db2.gz WUDOJPVBZGJDSL-SECBINFHSA-N 1 2 233.271 2.560 20 0 BFADLO Cc1cc[nH+]cc1NCCC(=O)OC(C)(C)C ZINC001163414022 965397174 /nfs/dbraw/zinc/39/71/74/965397174.db2.gz DQVSADNJFBWCGI-UHFFFAOYSA-N 1 2 236.315 2.534 20 0 BFADLO CC(C)c1ccc(N2CCCC[C@@H]2CO)[nH+]c1 ZINC001163553130 965447948 /nfs/dbraw/zinc/44/79/48/965447948.db2.gz ODSSOKFZQFCQAW-CYBMUJFWSA-N 1 2 234.343 2.556 20 0 BFADLO C[N@H+](Cc1cc(Cl)ncc1O)C1CCCC1 ZINC001233034322 965458724 /nfs/dbraw/zinc/45/87/24/965458724.db2.gz IZQVAJCSSOBRHQ-UHFFFAOYSA-N 1 2 240.734 2.815 20 0 BFADLO C[N@@H+](Cc1cc(Cl)ncc1O)C1CCCC1 ZINC001233034322 965458727 /nfs/dbraw/zinc/45/87/27/965458727.db2.gz IZQVAJCSSOBRHQ-UHFFFAOYSA-N 1 2 240.734 2.815 20 0 BFADLO Cc1cc[nH+]cc1NCCc1cccc(O)c1 ZINC001163698390 965515285 /nfs/dbraw/zinc/51/52/85/965515285.db2.gz LGUGFUNPWIEGRV-UHFFFAOYSA-N 1 2 228.295 2.750 20 0 BFADLO CCc1ccc(Nc2ccc(NC)[nH+]c2)cn1 ZINC001203450058 965526763 /nfs/dbraw/zinc/52/67/63/965526763.db2.gz QIAUNAWYRKSGEI-UHFFFAOYSA-N 1 2 228.299 2.824 20 0 BFADLO CC(C)c1ccc(N(C)Cc2ncccn2)[nH+]c1 ZINC001163923296 965636565 /nfs/dbraw/zinc/63/65/65/965636565.db2.gz OHVLCULKFDEHSH-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO Cc1nc(N2CCCO[C@@H](C)C2)cc(C(C)C)[nH+]1 ZINC001163961092 965661879 /nfs/dbraw/zinc/66/18/79/965661879.db2.gz RAOJDCBCGMGREP-NSHDSACASA-N 1 2 249.358 2.524 20 0 BFADLO Cn1c[nH+]c2ccc(NCC(=O)C(C)(C)C)cc21 ZINC001164003582 965687955 /nfs/dbraw/zinc/68/79/55/965687955.db2.gz RLCPABREMASOAY-UHFFFAOYSA-N 1 2 245.326 2.600 20 0 BFADLO CN(C)c1ccc(NC2(C)CCC2)[nH+]c1 ZINC001164032401 965701936 /nfs/dbraw/zinc/70/19/36/965701936.db2.gz QWGZUGBEMIEUCI-UHFFFAOYSA-N 1 2 205.305 2.502 20 0 BFADLO C[C@H]1CC[C@@H](CO)N1c1ccc(C(C)(C)C)c[nH+]1 ZINC001164309778 965839691 /nfs/dbraw/zinc/83/96/91/965839691.db2.gz BGNGLMRZTOGIND-AAEUAGOBSA-N 1 2 248.370 2.729 20 0 BFADLO CCC1CCN(c2ccc(Cl)c(N)[nH+]2)CC1 ZINC001164456828 965891018 /nfs/dbraw/zinc/89/10/18/965891018.db2.gz SLJADIVATAVRLE-UHFFFAOYSA-N 1 2 239.750 2.944 20 0 BFADLO Cc1cc2cc(NC[C@H]3CCCCO3)[nH+]cc2[nH]1 ZINC001164673678 965946470 /nfs/dbraw/zinc/94/64/70/965946470.db2.gz QQNAVPWGGREMSI-GFCCVEGCSA-N 1 2 245.326 2.852 20 0 BFADLO O=C1CCCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001165465765 966103103 /nfs/dbraw/zinc/10/31/03/966103103.db2.gz UXMVKOVYUPRGRL-UHFFFAOYSA-N 1 2 230.311 2.518 20 0 BFADLO c1ccc(NCCCc2ccncc2)[nH+]c1 ZINC001165486021 966106458 /nfs/dbraw/zinc/10/64/58/966106458.db2.gz GMUMALOUJJTAOJ-UHFFFAOYSA-N 1 2 213.284 2.521 20 0 BFADLO COC(C)(C)CNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001165804271 966165692 /nfs/dbraw/zinc/16/56/92/966165692.db2.gz YEQMNDMYPBUYAH-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO CNc1ccc(Nc2cccc(C)c2O)c[nH+]1 ZINC001203454355 966173738 /nfs/dbraw/zinc/17/37/38/966173738.db2.gz BYYQSPRPCSOYNX-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO CNc1ccc(Nc2cc(F)ncc2F)c[nH+]1 ZINC001203454385 966183239 /nfs/dbraw/zinc/18/32/39/966183239.db2.gz CHSROYMGBDTZEZ-UHFFFAOYSA-N 1 2 236.225 2.540 20 0 BFADLO C[C@H](CCO)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001165868850 966186590 /nfs/dbraw/zinc/18/65/90/966186590.db2.gz WZVKHJYUFCXROU-SECBINFHSA-N 1 2 234.274 2.557 20 0 BFADLO Cc1cc(N[C@@H](C)CCO)[nH+]cc1C(F)(F)F ZINC001165868840 966187973 /nfs/dbraw/zinc/18/79/73/966187973.db2.gz WVGJTCPDZMINEJ-QMMMGPOBSA-N 1 2 248.248 2.592 20 0 BFADLO CNc1ccc(Nc2ccc(OC)cc2)c[nH+]1 ZINC001203454670 966243331 /nfs/dbraw/zinc/24/33/31/966243331.db2.gz JKMAUFGCPAIXOM-UHFFFAOYSA-N 1 2 229.283 2.876 20 0 BFADLO CC(=O)Nc1c(C)cc[nH+]c1N(C)C(C)(C)C ZINC001166527376 966284094 /nfs/dbraw/zinc/28/40/94/966284094.db2.gz JRNZBQUYWKBDBJ-UHFFFAOYSA-N 1 2 235.331 2.583 20 0 BFADLO CNc1ccc(Nc2cccc(OC)c2)c[nH+]1 ZINC001203454785 966320742 /nfs/dbraw/zinc/32/07/42/966320742.db2.gz LVKGJZLOWFBGDL-UHFFFAOYSA-N 1 2 229.283 2.876 20 0 BFADLO Nc1[nH+]ccc(F)c1NCCc1ccsc1 ZINC001166791214 966411856 /nfs/dbraw/zinc/41/18/56/966411856.db2.gz GWSMYHAHEMIOMV-UHFFFAOYSA-N 1 2 237.303 2.519 20 0 BFADLO Cc1ccc(Nc2cnccc2F)c(C)[nH+]1 ZINC001203369648 966609237 /nfs/dbraw/zinc/60/92/37/966609237.db2.gz RIBKPXKPQPMAHH-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2ccncc2C1 ZINC001203354006 966612268 /nfs/dbraw/zinc/61/22/68/966612268.db2.gz QZCRGNUNGUKJFW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2ccncc2C1 ZINC001203354006 966612273 /nfs/dbraw/zinc/61/22/73/966612273.db2.gz QZCRGNUNGUKJFW-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1ccc(Nc2ncncc2Cl)c(C)[nH+]1 ZINC001203363012 966614231 /nfs/dbraw/zinc/61/42/31/966614231.db2.gz KJJVYRNSWQZDMV-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CNc1ccc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001203446685 966647418 /nfs/dbraw/zinc/64/74/18/966647418.db2.gz GYFBFILFIMNKOM-UHFFFAOYSA-N 1 2 228.299 2.879 20 0 BFADLO CNc1ccc(Nc2nccnc2C(C)C)c[nH+]1 ZINC001203455607 966651697 /nfs/dbraw/zinc/65/16/97/966651697.db2.gz VLZHTANZMYYROU-UHFFFAOYSA-N 1 2 243.314 2.780 20 0 BFADLO CNc1ccc(Nc2cccc3c2CCO3)c[nH+]1 ZINC001203457865 966654145 /nfs/dbraw/zinc/65/41/45/966654145.db2.gz CLFSTHBVDWLGNQ-UHFFFAOYSA-N 1 2 241.294 2.802 20 0 BFADLO CNc1ccc(Nc2ccc(OC)cc2O)c[nH+]1 ZINC001203458659 966654838 /nfs/dbraw/zinc/65/48/38/966654838.db2.gz QXUMGWLQATYRGB-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO CNc1ccc(Nc2ncc(C)cc2F)c[nH+]1 ZINC001203452187 966659172 /nfs/dbraw/zinc/65/91/72/966659172.db2.gz HQHCJULYDKYWMC-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO Cc1cc(NCc2ccc(F)nc2)c[nH+]c1C ZINC001203485035 966660371 /nfs/dbraw/zinc/66/03/71/966660371.db2.gz GEIXGSPKXLJCIP-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncc(C)c(C)n2)c1 ZINC001203653698 966721969 /nfs/dbraw/zinc/72/19/69/966721969.db2.gz SMYWLLGHTQACDF-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncc(C)nc2C)c1 ZINC001203655993 966722477 /nfs/dbraw/zinc/72/24/77/966722477.db2.gz GKXWSHXBIJVEMV-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(Nc2cc(C)c[nH+]c2C)no1 ZINC001203653187 966722682 /nfs/dbraw/zinc/72/26/82/966722682.db2.gz ILTPPPHMYSCQMM-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cccc(C(N)=O)c2)c1 ZINC001203661114 966728181 /nfs/dbraw/zinc/72/81/81/966728181.db2.gz QTGYXMHDBDMGHV-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000691298730 966788007 /nfs/dbraw/zinc/78/80/07/966788007.db2.gz ZVWZWDODHWWBNO-HIFRSBDPSA-N 1 2 246.354 2.732 20 0 BFADLO CCCCOC1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001203956048 966828209 /nfs/dbraw/zinc/82/82/09/966828209.db2.gz BWTHGWINOJQLRG-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)n1 ZINC001204067015 966875560 /nfs/dbraw/zinc/87/55/60/966875560.db2.gz IMMUPCXDXRKSGV-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)n1 ZINC001204067015 966875564 /nfs/dbraw/zinc/87/55/64/966875564.db2.gz IMMUPCXDXRKSGV-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO CNc1ccc(Nc2c(C)cccc2O)c[nH+]1 ZINC001203458229 966881990 /nfs/dbraw/zinc/88/19/90/966881990.db2.gz GRSMKRHRRZABNI-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO Fc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001239472781 966886183 /nfs/dbraw/zinc/88/61/83/966886183.db2.gz PHRPGIWYWMXSEN-UHFFFAOYSA-N 1 2 213.215 2.716 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CSC3)C2)cc1F ZINC001204226367 966931538 /nfs/dbraw/zinc/93/15/38/966931538.db2.gz CGCWIXGAPIUBEK-UHFFFAOYSA-N 1 2 241.306 2.514 20 0 BFADLO O=C1CC[N@H+](Cc2ccoc2)[C@H]2CCCC[C@H]12 ZINC001204241193 966935872 /nfs/dbraw/zinc/93/58/72/966935872.db2.gz ZTQYMGQEZAFVOZ-STQMWFEESA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccoc2)[C@H]2CCCC[C@H]12 ZINC001204241193 966935891 /nfs/dbraw/zinc/93/58/91/966935891.db2.gz ZTQYMGQEZAFVOZ-STQMWFEESA-N 1 2 233.311 2.613 20 0 BFADLO Cc1ccc(-c2cccc(F)c2)[nH+]c1N ZINC001239533293 966973119 /nfs/dbraw/zinc/97/31/19/966973119.db2.gz CSBAPPRQJJEMLS-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO Cc1csc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001204374399 966986452 /nfs/dbraw/zinc/98/64/52/966986452.db2.gz JOFFLDNUTVUJJE-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1csc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001204374399 966986458 /nfs/dbraw/zinc/98/64/58/966986458.db2.gz JOFFLDNUTVUJJE-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC001204524692 967022106 /nfs/dbraw/zinc/02/21/06/967022106.db2.gz OBHXWESCCMCARH-SSDOTTSWSA-N 1 2 215.218 2.698 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC001204524692 967022118 /nfs/dbraw/zinc/02/21/18/967022118.db2.gz OBHXWESCCMCARH-SSDOTTSWSA-N 1 2 215.218 2.698 20 0 BFADLO Cc1cc(NCCOc2cccnc2)c[nH+]c1C ZINC001168617236 967058748 /nfs/dbraw/zinc/05/87/48/967058748.db2.gz HJVRYLHILMFMIQ-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO Cc1nc[nH]c1C[N@@H+]1Cc2cccc(C)c2C1 ZINC001204588260 967085763 /nfs/dbraw/zinc/08/57/63/967085763.db2.gz XAPORUFQCKUDQG-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1nc[nH]c1C[N@H+]1Cc2cccc(C)c2C1 ZINC001204588260 967085774 /nfs/dbraw/zinc/08/57/74/967085774.db2.gz XAPORUFQCKUDQG-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1cc(F)ncc1Nc1ccn2cc[nH+]c2c1 ZINC001204951486 967250438 /nfs/dbraw/zinc/25/04/38/967250438.db2.gz UHHCDTCRVAUNQD-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO c1csc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204944280 967250615 /nfs/dbraw/zinc/25/06/15/967250615.db2.gz WXTSGUVMKVTQHS-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO Clc1ncc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204950961 967251914 /nfs/dbraw/zinc/25/19/14/967251914.db2.gz JRGOWVSWMISEKF-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1cc(Nc2ccn3cc[nH+]c3c2)sn1 ZINC001204959101 967256965 /nfs/dbraw/zinc/25/69/65/967256965.db2.gz FJUDSSGGXIYWQF-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO CNc1ccc(Nc2ccc(C)cn2)c[nH+]1 ZINC001203447181 967265791 /nfs/dbraw/zinc/26/57/91/967265791.db2.gz JYVNEQPELVLMAC-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO Fc1cc(Nc2ccn3cc[nH+]c3c2)cnc1F ZINC001204971758 967269056 /nfs/dbraw/zinc/26/90/56/967269056.db2.gz OUDYGOMWTSVFII-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO CC(C)n1cnc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204971356 967270057 /nfs/dbraw/zinc/27/00/57/967270057.db2.gz IVXKKASMOFUCNT-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO Fc1ccncc1Nc1ccn2cc[nH+]c2c1 ZINC001204971702 967270218 /nfs/dbraw/zinc/27/02/18/967270218.db2.gz NCNAQQUDSORHPP-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO Nc1cccc2c1ccn2-c1ccn2cc[nH+]c2c1 ZINC001204982623 967274343 /nfs/dbraw/zinc/27/43/43/967274343.db2.gz AORFBACCUWHFCN-UHFFFAOYSA-N 1 2 248.289 2.860 20 0 BFADLO Oc1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001204983085 967275783 /nfs/dbraw/zinc/27/57/83/967275783.db2.gz PCZPJTDWGKFVKC-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CN1CCOc2cc(C3CCCC3)c[nH+]c21 ZINC001250041815 967293064 /nfs/dbraw/zinc/29/30/64/967293064.db2.gz YWYQAAIMWGSXEY-UHFFFAOYSA-N 1 2 218.300 2.568 20 0 BFADLO Cc1cc(NCCCOC(C)C)c[nH+]c1C ZINC001168681334 967295095 /nfs/dbraw/zinc/29/50/95/967295095.db2.gz WNHGYYSXOTZKLK-UHFFFAOYSA-N 1 2 222.332 2.925 20 0 BFADLO CC(C)OC(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250088442 967352102 /nfs/dbraw/zinc/35/21/02/967352102.db2.gz NCXHPVUAPZKZIL-UHFFFAOYSA-N 1 2 244.294 2.571 20 0 BFADLO C[NH+](C)CCc1cc(Cl)c(O)c(Cl)c1 ZINC001250157306 967448853 /nfs/dbraw/zinc/44/88/53/967448853.db2.gz GCFRHQHWAZNYCD-UHFFFAOYSA-N 1 2 234.126 2.803 20 0 BFADLO c1cn2cc(-c3nccc4cccnc43)ccc2[nH+]1 ZINC001240214839 967424190 /nfs/dbraw/zinc/42/41/90/967424190.db2.gz SJWIJAONYXWOSK-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cnc(C4CC4)nc3)ccc2[nH+]1 ZINC001240217466 967428037 /nfs/dbraw/zinc/42/80/37/967428037.db2.gz FEHVTSTWBJBJCW-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+](C)C1(C)COC1 ZINC001250180937 967479794 /nfs/dbraw/zinc/47/97/94/967479794.db2.gz WDOBENSRYJWGLJ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+](C)C1(C)COC1 ZINC001250180937 967479803 /nfs/dbraw/zinc/47/98/03/967479803.db2.gz WDOBENSRYJWGLJ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1cn2cc(-c3csc(CO)c3)ccc2[nH+]1 ZINC001205298303 967497895 /nfs/dbraw/zinc/49/78/95/967497895.db2.gz YILDDZQCGFDTDO-UHFFFAOYSA-N 1 2 244.319 2.864 20 0 BFADLO Cc1nc(Cc2ccc3[nH+]ccn3c2)cs1 ZINC001250193659 967505377 /nfs/dbraw/zinc/50/53/77/967505377.db2.gz RZZBZZYBOKPYSL-UHFFFAOYSA-N 1 2 229.308 2.690 20 0 BFADLO Cc1ccc(CC(=O)Oc2ccccc2)c(C)[nH+]1 ZINC001250258723 967566799 /nfs/dbraw/zinc/56/67/99/967566799.db2.gz RTJIDDIIJBTAOZ-UHFFFAOYSA-N 1 2 241.290 2.847 20 0 BFADLO COc1cccc(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC001250264850 967578826 /nfs/dbraw/zinc/57/88/26/967578826.db2.gz HHEYYIPNJWBVGK-UHFFFAOYSA-N 1 2 242.322 2.747 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205364626 967590924 /nfs/dbraw/zinc/59/09/24/967590924.db2.gz ZKCXKXSETOWBCL-VIFPVBQESA-N 1 2 248.223 2.644 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205364626 967590938 /nfs/dbraw/zinc/59/09/38/967590938.db2.gz ZKCXKXSETOWBCL-VIFPVBQESA-N 1 2 248.223 2.644 20 0 BFADLO Cc1ccc(CC[NH+]2CCOCC2)c(Cl)c1 ZINC001250274463 967600615 /nfs/dbraw/zinc/60/06/15/967600615.db2.gz KKNIPBVFBUXFRJ-UHFFFAOYSA-N 1 2 239.746 2.523 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1CCCCCC(N)=O ZINC001250272498 967602449 /nfs/dbraw/zinc/60/24/49/967602449.db2.gz QNBZUTLRRJVBEB-UHFFFAOYSA-N 1 2 246.354 2.856 20 0 BFADLO O=C(Cc1ccn2cc[nH+]c2c1)c1cccs1 ZINC001250304314 967651412 /nfs/dbraw/zinc/65/14/12/967651412.db2.gz FEYFUNGLTAXUKA-UHFFFAOYSA-N 1 2 242.303 2.821 20 0 BFADLO CNc1ccc(CC(=O)c2cccs2)c[nH+]1 ZINC001250304656 967651934 /nfs/dbraw/zinc/65/19/34/967651934.db2.gz MFRHXOWUNLXRJR-UHFFFAOYSA-N 1 2 232.308 2.610 20 0 BFADLO c1cn(CCc2ccc3scnc3c2)c[nH+]1 ZINC001250316297 967677282 /nfs/dbraw/zinc/67/72/82/967677282.db2.gz HHVJTYABXOVSSR-UHFFFAOYSA-N 1 2 229.308 2.736 20 0 BFADLO Fc1cc(F)c(CCn2cc[nH+]c2)c(F)c1F ZINC001250316327 967682377 /nfs/dbraw/zinc/68/23/77/967682377.db2.gz JAGQKLHSTAAZOK-UHFFFAOYSA-N 1 2 244.191 2.682 20 0 BFADLO Cc1ccc(CCn2cc[nH+]c2)c(F)c1F ZINC001250316548 967684917 /nfs/dbraw/zinc/68/49/17/967684917.db2.gz MHHQIXBNKRWFEM-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO Cc1cccc(CCn2cc[nH+]c2)c1F ZINC001250318352 967686568 /nfs/dbraw/zinc/68/65/68/967686568.db2.gz DLUPOAUSAWWHSC-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO CCCOc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316637 967688439 /nfs/dbraw/zinc/68/84/39/967688439.db2.gz QJOFZOUWYPKZSX-UHFFFAOYSA-N 1 2 230.311 2.915 20 0 BFADLO O=C1CCCc2ccc(CCn3cc[nH+]c3)cc21 ZINC001250319504 967693852 /nfs/dbraw/zinc/69/38/52/967693852.db2.gz SGRCVCFIQKQTRR-UHFFFAOYSA-N 1 2 240.306 2.645 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)ccc1N ZINC001214198301 967694385 /nfs/dbraw/zinc/69/43/85/967694385.db2.gz UQLOIVXERBVTLJ-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001205616557 967731245 /nfs/dbraw/zinc/73/12/45/967731245.db2.gz IDEINTCUHYVICJ-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001205616557 967731254 /nfs/dbraw/zinc/73/12/54/967731254.db2.gz IDEINTCUHYVICJ-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO FC1CC(Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001162212667 967743194 /nfs/dbraw/zinc/74/31/94/967743194.db2.gz WAUJGJOAPJXZAV-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO CC(C)Oc1cc(NCC(C)(F)F)cc[nH+]1 ZINC001162234397 967770611 /nfs/dbraw/zinc/77/06/11/967770611.db2.gz TVCVCGMEHSONRQ-UHFFFAOYSA-N 1 2 230.258 2.936 20 0 BFADLO Cc1cc(Cc2ccc[nH+]c2N2CCCC2)on1 ZINC001250364843 967774156 /nfs/dbraw/zinc/77/41/56/967774156.db2.gz XIKPIBQXFKPBFX-UHFFFAOYSA-N 1 2 243.310 2.569 20 0 BFADLO Cc1cccc(Cc2ccn3cc[nH+]c3c2)n1 ZINC001250424733 967836628 /nfs/dbraw/zinc/83/66/28/967836628.db2.gz PICFCVRWXMJOPM-UHFFFAOYSA-N 1 2 223.279 2.629 20 0 BFADLO CCCCc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250426155 967839318 /nfs/dbraw/zinc/83/93/18/967839318.db2.gz GGTQAFNUDGHJFF-UHFFFAOYSA-N 1 2 216.284 2.840 20 0 BFADLO CCOc1ccc2[nH]c(CCSC)[nH+]c2c1 ZINC001250426372 967842480 /nfs/dbraw/zinc/84/24/80/967842480.db2.gz APVXTOPRSGBZAA-UHFFFAOYSA-N 1 2 236.340 2.867 20 0 BFADLO CCCCc1[nH]c2ccc(OCOC)cc2[nH+]1 ZINC001250426967 967843566 /nfs/dbraw/zinc/84/35/66/967843566.db2.gz HXSWWFHCHZKCHN-UHFFFAOYSA-N 1 2 234.299 2.888 20 0 BFADLO COc1cc2[nH+]c(C3CCOCC3)[nH]c2cc1C ZINC001250432891 967850043 /nfs/dbraw/zinc/85/00/43/967850043.db2.gz BUIPPOKHBILJIW-UHFFFAOYSA-N 1 2 246.310 2.774 20 0 BFADLO Oc1cccc(Nc2ccn3cc[nH+]c3c2)c1F ZINC001212549610 967867843 /nfs/dbraw/zinc/86/78/43/967867843.db2.gz VPPLPTVVMAXOJJ-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H]2C=CCC2)c(C)[nH+]1 ZINC001205898404 967877739 /nfs/dbraw/zinc/87/77/39/967877739.db2.gz AQEADZWLHWTLCG-LBPRGKRZSA-N 1 2 245.326 2.847 20 0 BFADLO Cc1c[nH]c2ncc(Nc3[nH+]cccc3N)cc12 ZINC001206020105 967977302 /nfs/dbraw/zinc/97/73/02/967977302.db2.gz APNDIKUZFIYTPC-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO COc1ccc2[nH+]c(N(C)C)cc(C)c2c1 ZINC001163569558 968062591 /nfs/dbraw/zinc/06/25/91/968062591.db2.gz SUOZZVLLTWHSFO-UHFFFAOYSA-N 1 2 216.284 2.618 20 0 BFADLO Oc1ccccc1Nc1cccc2[nH+]ccn21 ZINC001206186607 968115865 /nfs/dbraw/zinc/11/58/65/968115865.db2.gz APFQWCVCYBOXGZ-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO CC(C)(C)c1ccc(N2CC=CC2)[nH+]c1 ZINC001163921778 968138048 /nfs/dbraw/zinc/13/80/48/968138048.db2.gz JJFJBIQBUBUWPH-UHFFFAOYSA-N 1 2 202.301 2.755 20 0 BFADLO C[C@H]1C[C@H]1c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250613961 968160861 /nfs/dbraw/zinc/16/08/61/968160861.db2.gz GBQNTWMLROEMBR-IONNQARKSA-N 1 2 214.268 2.621 20 0 BFADLO COc1cc2[nH+]c([C@@H]3C[C@@H]3C)[nH]c2cc1F ZINC001250615193 968164284 /nfs/dbraw/zinc/16/42/84/968164284.db2.gz NEIKXYKZKBPCPK-NKWVEPMBSA-N 1 2 220.247 2.834 20 0 BFADLO F[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1F ZINC001164209398 968191161 /nfs/dbraw/zinc/19/11/61/968191161.db2.gz AHYNERGEMAPSFV-VXGBXAGGSA-N 1 2 234.249 2.731 20 0 BFADLO CC[N@H+](Cc1ccn(C)n1)Cc1ccc(F)cc1 ZINC001206303384 968210775 /nfs/dbraw/zinc/21/07/75/968210775.db2.gz IFRIWTQZWMQCOB-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1ccn(C)n1)Cc1ccc(F)cc1 ZINC001206303384 968210784 /nfs/dbraw/zinc/21/07/84/968210784.db2.gz IFRIWTQZWMQCOB-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO Cc1ccc(-c2nc3c(cccc3C)[nH]2)c(N)[nH+]1 ZINC001250982236 968236395 /nfs/dbraw/zinc/23/63/95/968236395.db2.gz SYZNJEXCTZSHEN-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO OCc1cc[nH+]c(NCCC2CCCCC2)c1 ZINC001206366444 968256899 /nfs/dbraw/zinc/25/68/99/968256899.db2.gz SKAQNJSBDJIMKP-UHFFFAOYSA-N 1 2 234.343 2.956 20 0 BFADLO Cc1nc(N2CCC[C@H](C)[C@@H]2C)c2c([nH+]1)CCC2 ZINC001166609413 968348553 /nfs/dbraw/zinc/34/85/53/968348553.db2.gz AKPYSFBGHAZEET-QWRGUYRKSA-N 1 2 245.370 2.899 20 0 BFADLO CC(C)c1ccc(N(C)CC2(C)COC2)[nH+]c1 ZINC001166708681 968373613 /nfs/dbraw/zinc/37/36/13/968373613.db2.gz ADJXDRNWHFCTAT-UHFFFAOYSA-N 1 2 234.343 2.678 20 0 BFADLO C[N@@H+](Cc1ccc(F)cc1)Cc1ccncc1F ZINC001206781766 968468049 /nfs/dbraw/zinc/46/80/49/968468049.db2.gz HGLXUGZPLQFBRB-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@H+](Cc1ccc(F)cc1)Cc1ccncc1F ZINC001206781766 968468044 /nfs/dbraw/zinc/46/80/44/968468044.db2.gz HGLXUGZPLQFBRB-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CC[C@@H]1CCC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001252056991 968470847 /nfs/dbraw/zinc/47/08/47/968470847.db2.gz MIZSVZDXYZJIMX-XQQFMLRXSA-N 1 2 249.358 2.529 20 0 BFADLO CC[N@H+](Cc1cccnc1)Cc1ccncc1F ZINC001206786425 968473631 /nfs/dbraw/zinc/47/36/31/968473631.db2.gz VQOVCJPSGIPTFM-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cccnc1)Cc1ccncc1F ZINC001206786425 968473637 /nfs/dbraw/zinc/47/36/37/968473637.db2.gz VQOVCJPSGIPTFM-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Fc1ccc(-c2cc(C[NH+]3CCC3)no2)cc1 ZINC001206835484 968493075 /nfs/dbraw/zinc/49/30/75/968493075.db2.gz WGLHTDWRYXPIIA-UHFFFAOYSA-N 1 2 232.258 2.686 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCc2occc2C1 ZINC001206992228 968528062 /nfs/dbraw/zinc/52/80/62/968528062.db2.gz VYCILDLZJVYPGZ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ncsc1C[N@H+]1CCc2occc2C1 ZINC001206992228 968528068 /nfs/dbraw/zinc/52/80/68/968528068.db2.gz VYCILDLZJVYPGZ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CC[N@H+](Cc1ccc(F)cc1)Cc1ncccn1 ZINC001207016462 968555099 /nfs/dbraw/zinc/55/50/99/968555099.db2.gz YIRSGHHKUKUKQS-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccc(F)cc1)Cc1ncccn1 ZINC001207016462 968555104 /nfs/dbraw/zinc/55/51/04/968555104.db2.gz YIRSGHHKUKUKQS-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Fc1cccnc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001207033481 968565417 /nfs/dbraw/zinc/56/54/17/968565417.db2.gz VGDJDOQFFFPEBL-MRVPVSSYSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cccnc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001207033481 968565437 /nfs/dbraw/zinc/56/54/37/968565437.db2.gz VGDJDOQFFFPEBL-MRVPVSSYSA-N 1 2 248.223 2.605 20 0 BFADLO C[C@@H](CCN1CC2(CC[N@@H+]2C)C1)CC(C)(C)C ZINC001276504628 968586827 /nfs/dbraw/zinc/58/68/27/968586827.db2.gz WWNWVWJEUZQAMC-ZDUSSCGKSA-N 1 2 238.419 2.839 20 0 BFADLO C[C@@H](CCN1CC2(CC[N@H+]2C)C1)CC(C)(C)C ZINC001276504628 968586838 /nfs/dbraw/zinc/58/68/38/968586838.db2.gz WWNWVWJEUZQAMC-ZDUSSCGKSA-N 1 2 238.419 2.839 20 0 BFADLO Cc1cc(O)ccc1-c1cc[nH+]c(N(C)C)c1 ZINC001240643418 968614076 /nfs/dbraw/zinc/61/40/76/968614076.db2.gz FPCDAXKBMFEQDM-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO CCc1nccc(C[NH+]2Cc3ccccc3C2)n1 ZINC001207082699 968614583 /nfs/dbraw/zinc/61/45/83/968614583.db2.gz OBUGSQFQHHOTDS-UHFFFAOYSA-N 1 2 239.322 2.555 20 0 BFADLO Cc1cncc(C[N@@H+]2CCc3occc3C2)c1 ZINC001207162548 968671521 /nfs/dbraw/zinc/67/15/21/968671521.db2.gz PSOMLUXJGGZWLU-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cncc(C[N@H+]2CCc3occc3C2)c1 ZINC001207162548 968671524 /nfs/dbraw/zinc/67/15/24/968671524.db2.gz PSOMLUXJGGZWLU-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1ccnc(C)n1)C2 ZINC001207164046 968676539 /nfs/dbraw/zinc/67/65/39/968676539.db2.gz VFDPYFRHKYDVGM-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1ccnc(C)n1)C2 ZINC001207164046 968676544 /nfs/dbraw/zinc/67/65/44/968676544.db2.gz VFDPYFRHKYDVGM-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1c(F)cc[nH+]c1NCC(C)(F)F ZINC001154858880 968698429 /nfs/dbraw/zinc/69/84/29/968698429.db2.gz WLOYDCBBSMEBLE-UHFFFAOYSA-N 1 2 204.195 2.596 20 0 BFADLO Cc1cc(-c2ccc(-n3cc[nH+]c3)cc2)n(C)n1 ZINC001240858462 968772897 /nfs/dbraw/zinc/77/28/97/968772897.db2.gz NTDYDLJVYQVARJ-UHFFFAOYSA-N 1 2 238.294 2.581 20 0 BFADLO Fc1ccccc1CCC[NH+]1CC2(C1)CCCO2 ZINC001207490619 968801788 /nfs/dbraw/zinc/80/17/88/968801788.db2.gz VEAAZMXOCCBBBA-UHFFFAOYSA-N 1 2 249.329 2.623 20 0 BFADLO CC[C@@H]1COC[C@@H]1Nc1ccc([NH+](C)C)cc1C ZINC000829421394 968836960 /nfs/dbraw/zinc/83/69/60/968836960.db2.gz URZJIBVSERRHKW-DOMZBBRYSA-N 1 2 248.370 2.898 20 0 BFADLO CSc1ccc(NC(=[NH2+])C(C)(C)C)nn1 ZINC001155180433 968915390 /nfs/dbraw/zinc/91/53/90/968915390.db2.gz XYRSPRGTOOHFQW-UHFFFAOYSA-N 1 2 224.333 2.634 20 0 BFADLO O=C1C[N@@H+](CCCC2CCCC2)CCC[C@H]1F ZINC001208087424 968991474 /nfs/dbraw/zinc/99/14/74/968991474.db2.gz KDYNYVNJZTWYKM-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1C[N@H+](CCCC2CCCC2)CCC[C@H]1F ZINC001208087424 968991478 /nfs/dbraw/zinc/99/14/78/968991478.db2.gz KDYNYVNJZTWYKM-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO Cn1cc2ccc(-c3cccc4[nH+]ccn43)cc2n1 ZINC001241601739 969072151 /nfs/dbraw/zinc/07/21/51/969072151.db2.gz YESQMWUTWKPVMZ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001208183021 969113725 /nfs/dbraw/zinc/11/37/25/969113725.db2.gz WMXRUDUNOCYBDA-YNEHKIRRSA-N 1 2 239.334 2.592 20 0 BFADLO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001208183021 969113728 /nfs/dbraw/zinc/11/37/28/969113728.db2.gz WMXRUDUNOCYBDA-YNEHKIRRSA-N 1 2 239.334 2.592 20 0 BFADLO COc1ccncc1-c1cc2[nH]ccc2c[nH+]1 ZINC001242054065 969186513 /nfs/dbraw/zinc/18/65/13/969186513.db2.gz OGFUJCVRAOMICP-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO Cc1nc(NCCCCc2ccccn2)cc[nH+]1 ZINC001168794677 969216157 /nfs/dbraw/zinc/21/61/57/969216157.db2.gz BXFSPTUCAMXBHB-UHFFFAOYSA-N 1 2 242.326 2.615 20 0 BFADLO Fc1ccc(CCC[NH+]2C[C@@H](F)[C@H](F)C2)cc1 ZINC001208769693 969233989 /nfs/dbraw/zinc/23/39/89/969233989.db2.gz XNBUCYXUEUIFTB-CHWSQXEVSA-N 1 2 243.272 2.750 20 0 BFADLO Nc1cn2ccc(NCCC3CCC3)cc2[nH+]1 ZINC001168888516 969248248 /nfs/dbraw/zinc/24/82/48/969248248.db2.gz FEGQRRPDTXJXMW-UHFFFAOYSA-N 1 2 230.315 2.519 20 0 BFADLO C[C@@H](c1nc(CCC(C)(C)C)no1)n1cc[nH+]c1 ZINC000349775001 969280495 /nfs/dbraw/zinc/28/04/95/969280495.db2.gz CGZXGHKLBSWQFY-JTQLQIEISA-N 1 2 248.330 2.854 20 0 BFADLO CCc1[nH+]ccc(C)c1NC[C@@H](O)C(C)(C)C ZINC001253721963 969347840 /nfs/dbraw/zinc/34/78/40/969347840.db2.gz LSTDIIMTGMWZEY-GFCCVEGCSA-N 1 2 236.359 2.771 20 0 BFADLO Fc1cc(F)cc(CC[N@H+]2CCC[C@@H](F)C2)c1 ZINC001209139461 969353828 /nfs/dbraw/zinc/35/38/28/969353828.db2.gz YTWKDCDDDBPLIU-LLVKDONJSA-N 1 2 243.272 2.941 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)[nH]1 ZINC001209567994 969550770 /nfs/dbraw/zinc/55/07/70/969550770.db2.gz AXSJTMCUVRVGNF-VXGBXAGGSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)[nH]1 ZINC001209567994 969550773 /nfs/dbraw/zinc/55/07/73/969550773.db2.gz AXSJTMCUVRVGNF-VXGBXAGGSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC001209574477 969559121 /nfs/dbraw/zinc/55/91/21/969559121.db2.gz NMVJPTZZBMOWRC-GFCCVEGCSA-N 1 2 229.327 2.701 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)[nH]1 ZINC001209574477 969559129 /nfs/dbraw/zinc/55/91/29/969559129.db2.gz NMVJPTZZBMOWRC-GFCCVEGCSA-N 1 2 229.327 2.701 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1cccs1 ZINC001169315407 969562374 /nfs/dbraw/zinc/56/23/74/969562374.db2.gz JBZCRGKROGJWFD-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc(Cl)c(O)c1 ZINC001212588140 969576961 /nfs/dbraw/zinc/57/69/61/969576961.db2.gz GRYKPDPDHPQCEU-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO CC1C[NH+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209751226 969601570 /nfs/dbraw/zinc/60/15/70/969601570.db2.gz OFJGFWGBNSZECE-UHFFFAOYSA-N 1 2 235.718 2.668 20 0 BFADLO Cc1nc(NCCn2cccc2)cc(C(C)C)[nH+]1 ZINC001156299374 969613177 /nfs/dbraw/zinc/61/31/77/969613177.db2.gz FOCOIEGGXKYHFM-UHFFFAOYSA-N 1 2 244.342 2.822 20 0 BFADLO CSc1cc[nH+]c(NCCn2cccc2)c1 ZINC001156303283 969620324 /nfs/dbraw/zinc/62/03/24/969620324.db2.gz SXGUENKJRIFRPZ-UHFFFAOYSA-N 1 2 233.340 2.717 20 0 BFADLO Cc1ccc(Nc2ccc3c(c2)NCCO3)[nH+]c1 ZINC001209792651 969626212 /nfs/dbraw/zinc/62/62/12/969626212.db2.gz SXROXRGRHGVCJK-UHFFFAOYSA-N 1 2 241.294 2.938 20 0 BFADLO Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)no1 ZINC001209841574 969655511 /nfs/dbraw/zinc/65/55/11/969655511.db2.gz VXONMTIYIXDSEQ-UHFFFAOYSA-N 1 2 214.228 2.603 20 0 BFADLO CCOc1cc(Nc2ccc3[nH]c[nH+]c3c2)no1 ZINC001209849279 969660171 /nfs/dbraw/zinc/66/01/71/969660171.db2.gz WIAFMFCAEFLBHU-UHFFFAOYSA-N 1 2 244.254 2.693 20 0 BFADLO Cc1ccc(O)c(Nc2ccccc2N(C)C)[nH+]1 ZINC001209987696 969747183 /nfs/dbraw/zinc/74/71/83/969747183.db2.gz GAASFYKMUZOQTN-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO c1cc2cc[nH+]cc2c(Nc2ccncn2)c1 ZINC001210222390 969838108 /nfs/dbraw/zinc/83/81/08/969838108.db2.gz FPPWJAWPYGHCNE-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO Cn1nccc1Nc1cccc2cc[nH+]cc21 ZINC001210222699 969839307 /nfs/dbraw/zinc/83/93/07/969839307.db2.gz UNNQXNGNHAXMRX-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2C)cc1CO ZINC001210244145 969841316 /nfs/dbraw/zinc/84/13/16/969841316.db2.gz AWCYBQQAOGUDQE-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1[nH+]cc(Nc2cc(C3CCC3)no2)cc1N ZINC001210284664 969851562 /nfs/dbraw/zinc/85/15/62/969851562.db2.gz IZEPDBGQUWWQRV-UHFFFAOYSA-N 1 2 244.298 2.971 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cnc(C)c(N)c1 ZINC001210286249 969854254 /nfs/dbraw/zinc/85/42/54/969854254.db2.gz ZACZVAWMJAAGKI-UHFFFAOYSA-N 1 2 242.326 2.982 20 0 BFADLO CCOc1cccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287185 969854285 /nfs/dbraw/zinc/85/42/85/969854285.db2.gz NKDJQKWYSRGAEB-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO Cc1[nH+]cc(Nc2cn(C3CCC3)cn2)cc1N ZINC001210288513 969856127 /nfs/dbraw/zinc/85/61/27/969856127.db2.gz KXSDLWJVJVUQBN-UHFFFAOYSA-N 1 2 243.314 2.637 20 0 BFADLO Cc1[nH+]cc(Nc2cccc([C@H](C)O)c2)cc1N ZINC001210288906 969856228 /nfs/dbraw/zinc/85/62/28/969856228.db2.gz WVQDAXLBQWJEPJ-JTQLQIEISA-N 1 2 243.310 2.769 20 0 BFADLO Cc1ccc(CO)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288665 969857404 /nfs/dbraw/zinc/85/74/04/969857404.db2.gz RKMAFTCPEZYUDC-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3c(c2)COC3)cc1N ZINC001210288928 969857887 /nfs/dbraw/zinc/85/78/87/969857887.db2.gz XGBYOIRKVGFEGB-UHFFFAOYSA-N 1 2 241.294 2.746 20 0 BFADLO c1cc2cc(NCCc3cncs3)[nH+]cc2[nH]1 ZINC001169861370 969876505 /nfs/dbraw/zinc/87/65/05/969876505.db2.gz SINQMLODGMRBAY-UHFFFAOYSA-N 1 2 244.323 2.674 20 0 BFADLO CCOc1cncc(Nc2[nH+]cc(C)cc2N)c1 ZINC001210663176 969992442 /nfs/dbraw/zinc/99/24/42/969992442.db2.gz GGIQLQIAAYAUMC-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO CCc1cc(OC)ccc1Nc1[nH+]cccc1N ZINC001210710974 969999719 /nfs/dbraw/zinc/99/97/19/969999719.db2.gz HVIXFLLMORLMAC-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO CC(C)(C)[N@@H+]1CC[C@@H]1c1nnc(C2CCC2)o1 ZINC001255210205 970005646 /nfs/dbraw/zinc/00/56/46/970005646.db2.gz UXIJWMHXKRYZSK-SNVBAGLBSA-N 1 2 235.331 2.882 20 0 BFADLO CC(C)(C)[N@H+]1CC[C@@H]1c1nnc(C2CCC2)o1 ZINC001255210205 970005656 /nfs/dbraw/zinc/00/56/56/970005656.db2.gz UXIJWMHXKRYZSK-SNVBAGLBSA-N 1 2 235.331 2.882 20 0 BFADLO COc1cc(Nc2cnc(F)cc2C)cc(C)[nH+]1 ZINC001210774945 970024137 /nfs/dbraw/zinc/02/41/37/970024137.db2.gz COQOXORKKQPYKW-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1cc(N(C)c2cccc(N)c2)cc(C)[nH+]1 ZINC001210783599 970030629 /nfs/dbraw/zinc/03/06/29/970030629.db2.gz GNFZFEAWWMEEBU-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO CCn1c[nH+]cc1CNc1cncc(Cl)c1 ZINC000690389587 970035755 /nfs/dbraw/zinc/03/57/55/970035755.db2.gz MZLJTOOFRCFFBX-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO Oc1ccc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001210798008 970039410 /nfs/dbraw/zinc/03/94/10/970039410.db2.gz LJUZFRUYDSBPDD-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CC1(C)CCC([N@@H+]2CCOCC(F)(F)C2)CC1 ZINC001255303251 970067976 /nfs/dbraw/zinc/06/79/76/970067976.db2.gz UBSMFHFUYRRXFF-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CC1(C)CCC([N@H+]2CCOCC(F)(F)C2)CC1 ZINC001255303251 970067989 /nfs/dbraw/zinc/06/79/89/970067989.db2.gz UBSMFHFUYRRXFF-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO [NH2+]=CNc1nccc2c(Cl)cccc21 ZINC001157077316 970077601 /nfs/dbraw/zinc/07/76/01/970077601.db2.gz ALAWIUYDUDFTKV-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO COc1cc[nH+]cc1Nc1c[nH]c2ncccc12 ZINC001210940028 970078132 /nfs/dbraw/zinc/07/81/32/970078132.db2.gz IIIXTQVOZAUPNI-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1c[nH+]c(N2CCC[C@H]3C[C@H]32)nc1NC(C)C ZINC001157133677 970101804 /nfs/dbraw/zinc/10/18/04/970101804.db2.gz WIQLSFKMLDWYMN-NWDGAFQWSA-N 1 2 246.358 2.594 20 0 BFADLO Cc1ccc(Nc2ccc(CCO)cc2)[nH+]c1 ZINC001211010981 970112260 /nfs/dbraw/zinc/11/22/60/970112260.db2.gz OAWKXYDBSJMFIL-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO Oc1cc(Nc2cccc3[nH+]ccn32)ccc1F ZINC001211213628 970172266 /nfs/dbraw/zinc/17/22/66/970172266.db2.gz FWFACUMDAOXHPZ-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CC(C)CCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001170080897 970191146 /nfs/dbraw/zinc/19/11/46/970191146.db2.gz APIRFQSBMVGWRM-LBPRGKRZSA-N 1 2 211.349 2.866 20 0 BFADLO CC(C)CCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001170080897 970191155 /nfs/dbraw/zinc/19/11/55/970191155.db2.gz APIRFQSBMVGWRM-LBPRGKRZSA-N 1 2 211.349 2.866 20 0 BFADLO Oc1cc(F)c(-c2ccc3[nH+]ccn3c2)cc1F ZINC001211338410 970234480 /nfs/dbraw/zinc/23/44/80/970234480.db2.gz FJMWEWVSGHAXAN-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Cc1ccc2ccc(-c3c[nH+]cn3C)cc2n1 ZINC001243067688 970254426 /nfs/dbraw/zinc/25/44/26/970254426.db2.gz NLKGNHBHTRVKJU-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO c1c[nH+]c(-c2ccc(Nc3ncccn3)cc2)[nH]1 ZINC001213085451 970268689 /nfs/dbraw/zinc/26/86/89/970268689.db2.gz GCYNKZFBSRUWRV-UHFFFAOYSA-N 1 2 237.266 2.610 20 0 BFADLO Cc1cc(C)c(Nc2cc(=O)[nH]cc2C)c[nH+]1 ZINC001213508115 970324518 /nfs/dbraw/zinc/32/45/18/970324518.db2.gz LHJQZAPHMLITMH-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cncc(N)c1 ZINC001213494656 970326320 /nfs/dbraw/zinc/32/63/20/970326320.db2.gz DLFQUPUGAOPGAQ-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1cncc(Nc2c[nH+]c(C)cc2C)n1 ZINC001213503786 970330180 /nfs/dbraw/zinc/33/01/80/970330180.db2.gz YFCCLXBRLZRHCZ-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cc(C)c(Nc2cnc(C)c(C)n2)c[nH+]1 ZINC001213508421 970330538 /nfs/dbraw/zinc/33/05/38/970330538.db2.gz SANWFADKRDVJDZ-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(C)c(Nc2c(C)ncnc2C)c[nH+]1 ZINC001213507728 970333356 /nfs/dbraw/zinc/33/33/56/970333356.db2.gz DNSIGOQFPWIIPJ-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(C)c(Nc2cc(F)ccn2)c[nH+]1 ZINC001213503621 970333582 /nfs/dbraw/zinc/33/35/82/970333582.db2.gz OXTJIQVHEHMBPK-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(C)c(Nc2ccc(Cl)nn2)c[nH+]1 ZINC001213503815 970335791 /nfs/dbraw/zinc/33/57/91/970335791.db2.gz ZOPYTNUXWOVYLR-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCn1cnc(Nc2c[nH+]c(C)cc2C)c1 ZINC001213510633 970340566 /nfs/dbraw/zinc/34/05/66/970340566.db2.gz GNSYIEPCZJHPBK-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCn1ncc(Nc2c[nH+]cc(C)c2C)c1C ZINC001213523099 970346552 /nfs/dbraw/zinc/34/65/52/970346552.db2.gz LGPCMLMCSSMIBI-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(=O)[nH]c2)c1C ZINC001213523655 970347906 /nfs/dbraw/zinc/34/79/06/970347906.db2.gz YXOKBSQZICQOLM-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1c[nH+]cc(Nc2cnc(C)c(C)n2)c1C ZINC001213524843 970348866 /nfs/dbraw/zinc/34/88/66/970348866.db2.gz GXCAQXUYCSMIPF-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]cc(Nc2cc[nH]c(=O)c2)c1C ZINC001213522902 970348888 /nfs/dbraw/zinc/34/88/88/970348888.db2.gz IZCXXCBJZVSCAW-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1ccnnc1Nc1c[nH+]cc(C)c1C ZINC001213527702 970352139 /nfs/dbraw/zinc/35/21/39/970352139.db2.gz ZEGKEKUAEGUYKL-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(O)cc2O)c1C ZINC001213528425 970353014 /nfs/dbraw/zinc/35/30/14/970353014.db2.gz DLYWDXATQPOUJR-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO Cc1c[nH+]cc(Nc2cccc(N)c2O)c1C ZINC001213536693 970361165 /nfs/dbraw/zinc/36/11/65/970361165.db2.gz LXNJBRYJCWORLF-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCC1(Nc2cc3ccccc3c[nH+]2)COC1 ZINC001157531972 970413615 /nfs/dbraw/zinc/41/36/15/970413615.db2.gz DOQZYCVLBUBYSO-UHFFFAOYSA-N 1 2 228.295 2.826 20 0 BFADLO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC2(F)F)cc1 ZINC001255771761 970473866 /nfs/dbraw/zinc/47/38/66/970473866.db2.gz CIWLJEFKOMPKDT-ZYHUDNBSSA-N 1 2 225.282 2.923 20 0 BFADLO Cc1cc(Cl)c(C)c(NCC2CC(=O)C2)[nH+]1 ZINC001157609279 970485673 /nfs/dbraw/zinc/48/56/73/970485673.db2.gz PNLBHMZOJPOFMT-UHFFFAOYSA-N 1 2 238.718 2.743 20 0 BFADLO CCCNc1cc(N2CC[C@@H](C3CC3)C2)nc[nH+]1 ZINC000400447294 970594421 /nfs/dbraw/zinc/59/44/21/970594421.db2.gz LWKFSAUJLIGZQL-GFCCVEGCSA-N 1 2 246.358 2.535 20 0 BFADLO CCCNc1cc(N2CC[C@@H](C3CC3)C2)[nH+]cn1 ZINC000400447294 970594435 /nfs/dbraw/zinc/59/44/35/970594435.db2.gz LWKFSAUJLIGZQL-GFCCVEGCSA-N 1 2 246.358 2.535 20 0 BFADLO COC1C[NH+]([C@@H](C)Cc2ccccc2Cl)C1 ZINC001170266417 970646218 /nfs/dbraw/zinc/64/62/18/970646218.db2.gz OFOMVEKXZMESQY-JTQLQIEISA-N 1 2 239.746 2.602 20 0 BFADLO CCCCCc1nnc([C@@H]2CC[N@@H+]2C(C)C)o1 ZINC001256107504 970657495 /nfs/dbraw/zinc/65/74/95/970657495.db2.gz LQWPZCHKERIIEX-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO CCCCCc1nnc([C@@H]2CC[N@H+]2C(C)C)o1 ZINC001256107504 970657512 /nfs/dbraw/zinc/65/75/12/970657512.db2.gz LQWPZCHKERIIEX-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO C[C@@H]1CC[C@H](c2nnc(C[NH+](C)C)o2)C[C@H]1C ZINC001327353993 972559729 /nfs/dbraw/zinc/55/97/29/972559729.db2.gz OBPUERRLIQXBSW-MXWKQRLJSA-N 1 2 237.347 2.671 20 0 BFADLO C[C@@H](Cc1ccccc1)OCc1c[nH+]cn1C ZINC001222594582 972591742 /nfs/dbraw/zinc/59/17/42/972591742.db2.gz HAQWGNDRLWCDTO-LBPRGKRZSA-N 1 2 230.311 2.568 20 0 BFADLO C[C@H]1CCC[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222595189 972592504 /nfs/dbraw/zinc/59/25/04/972592504.db2.gz SEPGUEBKVLJGBT-CMPLNLGQSA-N 1 2 208.305 2.515 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@H]2CCC2CCCC2)[nH]1 ZINC001327544979 972624912 /nfs/dbraw/zinc/62/49/12/972624912.db2.gz CKJMDMOWOTZRIP-ZDUSSCGKSA-N 1 2 248.374 2.740 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@H]2CCC2CCCC2)[nH]1 ZINC001327544979 972624920 /nfs/dbraw/zinc/62/49/20/972624920.db2.gz CKJMDMOWOTZRIP-ZDUSSCGKSA-N 1 2 248.374 2.740 20 0 BFADLO CC1(C)C[N@H+](Cc2cc(F)ncc2F)C1(C)C ZINC001327941779 972821407 /nfs/dbraw/zinc/82/14/07/972821407.db2.gz YJHFOUDMVOJYCV-UHFFFAOYSA-N 1 2 240.297 2.980 20 0 BFADLO CC1(C)C[N@@H+](Cc2cc(F)ncc2F)C1(C)C ZINC001327941779 972821412 /nfs/dbraw/zinc/82/14/12/972821412.db2.gz YJHFOUDMVOJYCV-UHFFFAOYSA-N 1 2 240.297 2.980 20 0 BFADLO CCC(C)(C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845476456 972826399 /nfs/dbraw/zinc/82/63/99/972826399.db2.gz HAEOKMPUURJMBI-NSHDSACASA-N 1 2 238.331 2.814 20 0 BFADLO CC1(C)C[NH+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520575 972854515 /nfs/dbraw/zinc/85/45/15/972854515.db2.gz VHUNINODFBMMNF-UHFFFAOYSA-N 1 2 244.260 2.942 20 0 BFADLO CC[C@H](C)[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144545130 972857541 /nfs/dbraw/zinc/85/75/41/972857541.db2.gz SSQWIBXLXSNPCY-QMMMGPOBSA-N 1 2 229.270 2.901 20 0 BFADLO CC[C@H](C)[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144545130 972857545 /nfs/dbraw/zinc/85/75/45/972857545.db2.gz SSQWIBXLXSNPCY-QMMMGPOBSA-N 1 2 229.270 2.901 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ncn3ccccc23)C1 ZINC001144617382 972893150 /nfs/dbraw/zinc/89/31/50/972893150.db2.gz YKPULAMZCQPVRR-RYUDHWBXSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ncn3ccccc23)C1 ZINC001144617382 972893154 /nfs/dbraw/zinc/89/31/54/972893154.db2.gz YKPULAMZCQPVRR-RYUDHWBXSA-N 1 2 247.317 2.514 20 0 BFADLO COCC[N@H+](C)Cc1cc(F)c(F)cc1Cl ZINC001144722254 972968658 /nfs/dbraw/zinc/96/86/58/972968658.db2.gz RSLRZHNVGSNIIQ-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COCC[N@@H+](C)Cc1cc(F)c(F)cc1Cl ZINC001144722254 972968678 /nfs/dbraw/zinc/96/86/78/972968678.db2.gz RSLRZHNVGSNIIQ-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2scnc2c1 ZINC001144732592 972972281 /nfs/dbraw/zinc/97/22/81/972972281.db2.gz GAUJHVSSQJLAKA-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccc2scnc2c1 ZINC001144732592 972972296 /nfs/dbraw/zinc/97/22/96/972972296.db2.gz GAUJHVSSQJLAKA-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO Cc1cc(COC[C@@H]2CCCCO2)cc(C)[nH+]1 ZINC001223421727 973056213 /nfs/dbraw/zinc/05/62/13/973056213.db2.gz QHFYDQBLQGENKE-AWEZNQCLSA-N 1 2 235.327 2.784 20 0 BFADLO Cc1cc(CO[C@@H](C)c2cnccn2)cc(C)[nH+]1 ZINC001223425445 973066373 /nfs/dbraw/zinc/06/63/73/973066373.db2.gz RRTAXDFUZFGBGW-LBPRGKRZSA-N 1 2 243.310 2.766 20 0 BFADLO CCC(=O)[C@@H](CC)OCc1cc(C)[nH+]c(C)c1 ZINC001223426095 973067306 /nfs/dbraw/zinc/06/73/06/973067306.db2.gz YJZDCWASCUOECD-CQSZACIVSA-N 1 2 235.327 2.973 20 0 BFADLO C/C=C(/C=C/c1nnc(C[NH+](C)C)o1)CC ZINC001329074127 973462762 /nfs/dbraw/zinc/46/27/62/973462762.db2.gz IMFMKQZNRPHHJI-LZIZUESTSA-N 1 2 221.304 2.501 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@H](SC)C1 ZINC000234952510 973795394 /nfs/dbraw/zinc/79/53/94/973795394.db2.gz IFWBXBAUQKJSQO-UWVGGRQHSA-N 1 2 238.356 2.786 20 0 BFADLO CC(=O)CC(C)(C)Nc1ccn2cc[nH+]c2c1 ZINC001171499324 974080509 /nfs/dbraw/zinc/08/05/09/974080509.db2.gz PLJIQITZLJAJSV-UHFFFAOYSA-N 1 2 231.299 2.504 20 0 BFADLO CCOC(=[NH2+])CCCCOCC[C@H](C)OC ZINC001224960441 974103487 /nfs/dbraw/zinc/10/34/87/974103487.db2.gz CFXUUWOPBPVNIQ-NSHDSACASA-N 1 2 231.336 2.612 20 0 BFADLO Cc1ccc(CC[C@H](C)[N@@H+]2CCC(=O)C2)cc1 ZINC001171680392 974137717 /nfs/dbraw/zinc/13/77/17/974137717.db2.gz QRAZEIGDOBZPPF-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[C@H](C)[N@H+]2CCC(=O)C2)cc1 ZINC001171680392 974137721 /nfs/dbraw/zinc/13/77/21/974137721.db2.gz QRAZEIGDOBZPPF-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO c1cc(OC[C@H]2CC[C@@]3(CCCCO3)O2)cc[nH+]1 ZINC001225290661 974360032 /nfs/dbraw/zinc/36/00/32/974360032.db2.gz FBTFSRVWCSIVSB-ZIAGYGMSSA-N 1 2 249.310 2.536 20 0 BFADLO CC1(C)[C@@H]2C[C@@H](Oc3cc[nH+]cc3)C[C@@H]21 ZINC001225290693 974361598 /nfs/dbraw/zinc/36/15/98/974361598.db2.gz GCRGVGGYHGLHCJ-CNDDSTCGSA-N 1 2 203.285 2.895 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1cccnc1 ZINC001225290154 974362550 /nfs/dbraw/zinc/36/25/50/974362550.db2.gz UZHXAIRDJOYYDF-SNVBAGLBSA-N 1 2 200.241 2.617 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1cccnc1 ZINC001225290153 974363273 /nfs/dbraw/zinc/36/32/73/974363273.db2.gz UZHXAIRDJOYYDF-JTQLQIEISA-N 1 2 200.241 2.617 20 0 BFADLO COC1=CC[C@@H](Oc2cc[nH+]cc2)CC1 ZINC001225295305 974369128 /nfs/dbraw/zinc/36/91/28/974369128.db2.gz KAUFUDKAHDYGPN-LLVKDONJSA-N 1 2 205.257 2.543 20 0 BFADLO FC1(F)C[C@@H](Oc2cc[nH+]cc2)C1(F)F ZINC001225295572 974371233 /nfs/dbraw/zinc/37/12/33/974371233.db2.gz LINVYROEDLKMEZ-SSDOTTSWSA-N 1 2 221.153 2.503 20 0 BFADLO CC(=O)[C@@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC001225296492 974372980 /nfs/dbraw/zinc/37/29/80/974372980.db2.gz WEOMETLENRFLHU-CQSZACIVSA-N 1 2 227.263 2.791 20 0 BFADLO CC(=O)[C@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC001225296486 974373807 /nfs/dbraw/zinc/37/38/07/974373807.db2.gz WEOMETLENRFLHU-AWEZNQCLSA-N 1 2 227.263 2.791 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1cccnc1F ZINC001225296250 974375433 /nfs/dbraw/zinc/37/54/33/974375433.db2.gz SMTJGDNAFHGMAN-SECBINFHSA-N 1 2 218.231 2.756 20 0 BFADLO C[NH+]1CC(Oc2ccc3nc(Cl)ccc3c2)C1 ZINC001225386801 974458260 /nfs/dbraw/zinc/45/82/60/974458260.db2.gz BZDFBBGESVZNMY-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCc1nn(C[N@H+](C)CC(C)(C)C)c(=S)o1 ZINC001331032130 974565034 /nfs/dbraw/zinc/56/50/34/974565034.db2.gz XZLYFNBRDXUFTB-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO CCc1nn(C[N@@H+](C)CC(C)(C)C)c(=S)o1 ZINC001331032130 974565045 /nfs/dbraw/zinc/56/50/45/974565045.db2.gz XZLYFNBRDXUFTB-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C[C@@H]1C ZINC001172364236 974639522 /nfs/dbraw/zinc/63/95/22/974639522.db2.gz AONJTOTZZVVIQR-WOPDTQHZSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C[C@@H]1C ZINC001172364236 974639528 /nfs/dbraw/zinc/63/95/28/974639528.db2.gz AONJTOTZZVVIQR-WOPDTQHZSA-N 1 2 247.329 2.779 20 0 BFADLO CCOCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001172409085 974668113 /nfs/dbraw/zinc/66/81/13/974668113.db2.gz OYPTVYIDSSZDHM-ZETCQYMHSA-N 1 2 249.223 2.589 20 0 BFADLO CC(=O)c1cccc(OC2C[NH+](C(C)(C)C)C2)c1 ZINC001225812053 974691899 /nfs/dbraw/zinc/69/18/99/974691899.db2.gz LHZSSYFKTILNQX-UHFFFAOYSA-N 1 2 247.338 2.751 20 0 BFADLO C[N@H+](Cc1ccns1)Cc1cccn1C1CC1 ZINC001331566155 974763465 /nfs/dbraw/zinc/76/34/65/974763465.db2.gz NHSITDCROUQJDC-UHFFFAOYSA-N 1 2 247.367 2.912 20 0 BFADLO C[N@@H+](Cc1ccns1)Cc1cccn1C1CC1 ZINC001331566155 974763472 /nfs/dbraw/zinc/76/34/72/974763472.db2.gz NHSITDCROUQJDC-UHFFFAOYSA-N 1 2 247.367 2.912 20 0 BFADLO C[NH+](C)Cc1nnc(C2CCC3(CC3)CC2)o1 ZINC001331850298 974837081 /nfs/dbraw/zinc/83/70/81/974837081.db2.gz NENAHODXOGHIQV-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC1(F)C[NH+](C2CCC3(CCOCC3)CC2)C1 ZINC001173046210 975012241 /nfs/dbraw/zinc/01/22/41/975012241.db2.gz FMMXUYJVMWAXBU-UHFFFAOYSA-N 1 2 241.350 2.770 20 0 BFADLO CCC1(CC)CCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001332403389 975094126 /nfs/dbraw/zinc/09/41/26/975094126.db2.gz ZYSWNVOHMKEZBL-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc[nH+]c(C)c1OC[C@@H]1CCO[C@@H]1C ZINC001227260059 975334673 /nfs/dbraw/zinc/33/46/73/975334673.db2.gz OBHJOXVZHKMUGP-NEPJUHHUSA-N 1 2 221.300 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1COc2cnccc21 ZINC001227261858 975337012 /nfs/dbraw/zinc/33/70/12/975337012.db2.gz GTPPZUWNEFCILE-CYBMUJFWSA-N 1 2 242.278 2.606 20 0 BFADLO CCO[C@@H](C)COc1c(C)cc[nH+]c1C ZINC001227263645 975340245 /nfs/dbraw/zinc/34/02/45/975340245.db2.gz GLWJJQNRANYAOR-JTQLQIEISA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc(CO)cc(Nc2[nH+]cccc2C)c1 ZINC001212751587 975522567 /nfs/dbraw/zinc/52/25/67/975522567.db2.gz OBQWFIBPYVHKMN-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CCN(C)c1ccc(Nc2cccnc2)c[nH+]1 ZINC001173855081 975775814 /nfs/dbraw/zinc/77/58/14/975775814.db2.gz BJPNAYPOZJNBNA-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO COc1ccccc1Nc1c[nH+]ccc1OC ZINC001173838053 975867539 /nfs/dbraw/zinc/86/75/39/975867539.db2.gz FETGYTDWRWELDR-UHFFFAOYSA-N 1 2 230.267 2.842 20 0 BFADLO Cc1[nH]c2ccc(OC[C@H]3CCC=CO3)cc2[nH+]1 ZINC001228327944 976121452 /nfs/dbraw/zinc/12/14/52/976121452.db2.gz YLHLIPSEVJQBCH-GFCCVEGCSA-N 1 2 244.294 2.943 20 0 BFADLO Cc1ccc(Nc2cccc(C(N)=O)c2)c(C)[nH+]1 ZINC001174056443 976207005 /nfs/dbraw/zinc/20/70/05/976207005.db2.gz MIEBPHIOBQADRO-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO CC1(C)C[NH+](Cc2nncs2)CC(C)(C)C1 ZINC001334075544 976270248 /nfs/dbraw/zinc/27/02/48/976270248.db2.gz DDKDRQAXFOYVNF-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO COc1cncc(Nc2c[nH+]c(C)cc2C)c1 ZINC001174089209 976360230 /nfs/dbraw/zinc/36/02/30/976360230.db2.gz RAPOOVMZMBDXQP-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cn2cccc(Nc3c(C)n[nH]c3C)c2[nH+]1 ZINC001174216372 976403312 /nfs/dbraw/zinc/40/33/12/976403312.db2.gz SFUISLLOZJVMIO-UHFFFAOYSA-N 1 2 241.298 2.726 20 0 BFADLO c1n[nH]cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001174294293 976471007 /nfs/dbraw/zinc/47/10/07/976471007.db2.gz MUNNWTFQQDUPJX-UHFFFAOYSA-N 1 2 243.314 2.539 20 0 BFADLO c1n[nH]cc1Nc1cccc2cc[nH+]cc21 ZINC001174296154 976481212 /nfs/dbraw/zinc/48/12/12/976481212.db2.gz NJBGKZWRFXWGPA-UHFFFAOYSA-N 1 2 210.240 2.702 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2n[nH]cc2c1 ZINC001174274427 976498480 /nfs/dbraw/zinc/49/84/80/976498480.db2.gz WDYWLACMDWTUFK-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Clc1cc(Nc2cncnc2)cn2cc[nH+]c12 ZINC001174383524 976616492 /nfs/dbraw/zinc/61/64/92/976616492.db2.gz FSZVYELWYRNJCL-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc(N)cc2F)c1 ZINC001174479481 976799231 /nfs/dbraw/zinc/79/92/31/976799231.db2.gz HETLEAYCPKPXPL-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1cc(O)ccc1Nc1[nH+]cc(O)cc1C ZINC001174559220 976872922 /nfs/dbraw/zinc/87/29/22/976872922.db2.gz CNPHOFWSRRUUOE-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)cc1C ZINC001174560255 976875232 /nfs/dbraw/zinc/87/52/32/976875232.db2.gz XSWMGZOJJJODMQ-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1cc(O)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001174559981 976876972 /nfs/dbraw/zinc/87/69/72/976876972.db2.gz ZRNJSADUQMSYDI-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1c[nH+]c(Nc2cc(F)ccc2O)c(N)c1 ZINC001174625230 976895809 /nfs/dbraw/zinc/89/58/09/976895809.db2.gz AREVNONEGCPGBB-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1cccc(NC2=CCC3(CC2)OCCO3)[nH+]1 ZINC001174635830 976911292 /nfs/dbraw/zinc/91/12/92/976911292.db2.gz SLCIDFVHSJSQKG-UHFFFAOYSA-N 1 2 246.310 2.613 20 0 BFADLO Oc1ccc(Nc2cccc3[nH+]ccn32)cc1F ZINC001174733206 976976602 /nfs/dbraw/zinc/97/66/02/976976602.db2.gz PXICYVUBRPXIDB-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1cccc(Nc2ccc(O)c(F)c2)[nH+]1 ZINC001174733231 976979508 /nfs/dbraw/zinc/97/95/08/976979508.db2.gz QDLBTAVFJCWNLU-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO C=CNc1cc(Br)c2[nH+]ccn2c1 ZINC001174780428 976995721 /nfs/dbraw/zinc/99/57/21/976995721.db2.gz ARMDAILQNCBCPZ-UHFFFAOYSA-N 1 2 238.088 2.652 20 0 BFADLO c1cn(-c2ccc(OC3CC=CC3)cc2)c[nH+]1 ZINC001229949423 977033718 /nfs/dbraw/zinc/03/37/18/977033718.db2.gz APEJIKPBHKOXDS-UHFFFAOYSA-N 1 2 226.279 2.970 20 0 BFADLO CC[C@@H](COc1ccc(-n2cc[nH+]c2)cc1)OC ZINC001229954012 977036818 /nfs/dbraw/zinc/03/68/18/977036818.db2.gz HRJJTFTWQGOIOE-ZDUSSCGKSA-N 1 2 246.310 2.676 20 0 BFADLO CCOC[C@@H](C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954125 977041121 /nfs/dbraw/zinc/04/11/21/977041121.db2.gz JLZZZTVXZQHFON-GFCCVEGCSA-N 1 2 246.310 2.676 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cnc1F ZINC001335483366 977090514 /nfs/dbraw/zinc/09/05/14/977090514.db2.gz QYASGIXOCVSXKN-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cnc1F ZINC001335483366 977090526 /nfs/dbraw/zinc/09/05/26/977090526.db2.gz QYASGIXOCVSXKN-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO COc1ccc(N(C)c2[nH+]cccc2N)cc1C ZINC001174829602 977093190 /nfs/dbraw/zinc/09/31/90/977093190.db2.gz NSBIHIGYYUGGPI-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO Oc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001175039764 977230898 /nfs/dbraw/zinc/23/08/98/977230898.db2.gz UHOFNECZGUFQTR-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(O)cc2)[nH+]1 ZINC001175039738 977231338 /nfs/dbraw/zinc/23/13/38/977231338.db2.gz SKWNCRNRMCRTDN-UHFFFAOYSA-N 1 2 216.240 2.545 20 0 BFADLO Cc1cc(F)nc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175343086 977365761 /nfs/dbraw/zinc/36/57/61/977365761.db2.gz WLPYPUOUELWWEY-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO c1ncc(Nc2ccc(N3CCCC3)[nH+]c2)s1 ZINC001175346586 977366630 /nfs/dbraw/zinc/36/66/30/977366630.db2.gz XZEBPOPGYIBMCF-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO C[NH+]1CC(Oc2nccc3ccc(Cl)cc32)C1 ZINC001230972962 977409848 /nfs/dbraw/zinc/40/98/48/977409848.db2.gz BHSKRWNUWCZTQQ-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)c(OC)c1 ZINC001175395115 977412277 /nfs/dbraw/zinc/41/22/77/977412277.db2.gz NYRSXAAFMCGPHR-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO CCOC[C@@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082485 977470985 /nfs/dbraw/zinc/47/09/85/977470985.db2.gz WDQGOSQPIPBADG-LLVKDONJSA-N 1 2 246.310 2.881 20 0 BFADLO CC[C@@H](COC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082178 977472650 /nfs/dbraw/zinc/47/26/50/977472650.db2.gz SKTYLCOVLRWMHE-LBPRGKRZSA-N 1 2 246.310 2.881 20 0 BFADLO Cc1cc(C)c(Nc2cccc(CO)c2)c[nH+]1 ZINC001175510582 977491456 /nfs/dbraw/zinc/49/14/56/977491456.db2.gz RYECCGSZTCJZPE-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO C[NH+]1CC(Oc2cnc3cc(Cl)ccc3c2)C1 ZINC001231141221 977503938 /nfs/dbraw/zinc/50/39/38/977503938.db2.gz YNRDBYLURZWXPT-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO OCc1ccc(Nc2cccc3[nH+]ccn32)cc1 ZINC001175562754 977543776 /nfs/dbraw/zinc/54/37/76/977543776.db2.gz NEICQWBBTMJMJD-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO OCc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001175566046 977551579 /nfs/dbraw/zinc/55/15/79/977551579.db2.gz ZPUYQFDHQIZNQC-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO COc1cc(NC=CC(C)(C)C)c(N)c[nH+]1 ZINC001175572638 977563999 /nfs/dbraw/zinc/56/39/99/977563999.db2.gz NVLKPLQHNNSPAN-AATRIKPKSA-N 1 2 221.304 2.644 20 0 BFADLO CC(=O)c1sccc1NC1=CCC[N@@H+](C)C1 ZINC001175577047 977590017 /nfs/dbraw/zinc/59/00/17/977590017.db2.gz OKSATYYPVAEVKX-UHFFFAOYSA-N 1 2 236.340 2.582 20 0 BFADLO CC(=O)c1sccc1NC1=CCC[N@H+](C)C1 ZINC001175577047 977590026 /nfs/dbraw/zinc/59/00/26/977590026.db2.gz OKSATYYPVAEVKX-UHFFFAOYSA-N 1 2 236.340 2.582 20 0 BFADLO Oc1ccc(C[NH+]2CCC2)cc1C(F)(F)F ZINC001231521267 977629289 /nfs/dbraw/zinc/62/92/89/977629289.db2.gz CBAKZNLVEQGWHG-UHFFFAOYSA-N 1 2 231.217 2.617 20 0 BFADLO CCc1ccc(N(C)Cc2ccncc2)[nH+]c1 ZINC001336466854 977702909 /nfs/dbraw/zinc/70/29/09/977702909.db2.gz YIPBTKKIMAHWDG-UHFFFAOYSA-N 1 2 227.311 2.675 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)C[C@@H]2C)[nH+]1 ZINC001336532192 977753699 /nfs/dbraw/zinc/75/36/99/977753699.db2.gz OQCGNTURVFVMOG-SCZZXKLOSA-N 1 2 208.280 2.764 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC001231810261 977757915 /nfs/dbraw/zinc/75/79/15/977757915.db2.gz MCAQLHYAPITXAQ-UHFFFAOYSA-N 1 2 243.306 2.967 20 0 BFADLO CC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC001231810261 977757934 /nfs/dbraw/zinc/75/79/34/977757934.db2.gz MCAQLHYAPITXAQ-UHFFFAOYSA-N 1 2 243.306 2.967 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccnc(C(F)F)c1 ZINC001231886809 977787300 /nfs/dbraw/zinc/78/73/00/977787300.db2.gz HWNVXYBLPHQWHN-PSASIEDQSA-N 1 2 244.260 2.952 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccnc(C(F)F)c1 ZINC001231886809 977787314 /nfs/dbraw/zinc/78/73/14/977787314.db2.gz HWNVXYBLPHQWHN-PSASIEDQSA-N 1 2 244.260 2.952 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccnc(C(F)F)c1 ZINC001231894363 977791372 /nfs/dbraw/zinc/79/13/72/977791372.db2.gz VUZBIWHFMHDYGW-SNVBAGLBSA-N 1 2 244.260 2.953 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccnc(C(F)F)c1 ZINC001231894363 977791394 /nfs/dbraw/zinc/79/13/94/977791394.db2.gz VUZBIWHFMHDYGW-SNVBAGLBSA-N 1 2 244.260 2.953 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cnc1F ZINC001231925494 977797496 /nfs/dbraw/zinc/79/74/96/977797496.db2.gz QYASGIXOCVSXKN-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cnc1F ZINC001231925494 977797512 /nfs/dbraw/zinc/79/75/12/977797512.db2.gz QYASGIXOCVSXKN-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cn2c(cccc2Nc2cscn2)[nH+]1 ZINC001175938354 977797868 /nfs/dbraw/zinc/79/78/68/977797868.db2.gz WMJYLPUXBHMOLD-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO c1cn2cccc(Nc3cscn3)c2[nH+]1 ZINC001175942071 977807285 /nfs/dbraw/zinc/80/72/85/977807285.db2.gz QTVJRYQMWWIGFD-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC001231961753 977815460 /nfs/dbraw/zinc/81/54/60/977815460.db2.gz OZYNHTIDTCDJKF-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ncccc1C(F)(F)F ZINC001231961753 977815463 /nfs/dbraw/zinc/81/54/63/977815463.db2.gz OZYNHTIDTCDJKF-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)cc(C)c1N ZINC001175931847 977817351 /nfs/dbraw/zinc/81/73/51/977817351.db2.gz KZRAQXLEMCYURB-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cnn(C2CC2)c1 ZINC001175957642 977822229 /nfs/dbraw/zinc/82/22/29/977822229.db2.gz VUVGHTUSGUHWRD-UHFFFAOYSA-N 1 2 244.298 2.755 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1cncc(O)c1)C2 ZINC001232039382 977860906 /nfs/dbraw/zinc/86/09/06/977860906.db2.gz QDNOIXDICGOVNE-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1cncc(O)c1)C2 ZINC001232039382 977860915 /nfs/dbraw/zinc/86/09/15/977860915.db2.gz QDNOIXDICGOVNE-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1[nH]c(CNc2nc(Cl)cs2)[nH+]c1C ZINC001336711766 977877379 /nfs/dbraw/zinc/87/73/79/977877379.db2.gz SQADXIGTFPLGQQ-UHFFFAOYSA-N 1 2 242.735 2.749 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)nc1F ZINC001176116848 977943323 /nfs/dbraw/zinc/94/33/23/977943323.db2.gz MZFYFJWAJHSMBC-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1Nc1nccnc1C1CC1 ZINC001176116591 977944864 /nfs/dbraw/zinc/94/48/64/977944864.db2.gz GYMJBVOLPWOXCH-UHFFFAOYSA-N 1 2 242.282 2.501 20 0 BFADLO COc1cc[nH+]cc1Nc1c(C)ccnc1F ZINC001176118508 977946859 /nfs/dbraw/zinc/94/68/59/977946859.db2.gz MMJGWBNTDPQEMN-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1cnsc1)C2 ZINC001232224698 977948251 /nfs/dbraw/zinc/94/82/51/977948251.db2.gz PPVFARGCDIUICZ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1cnsc1)C2 ZINC001232224698 977948262 /nfs/dbraw/zinc/94/82/62/977948262.db2.gz PPVFARGCDIUICZ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc([C@@H](C)O)cc1 ZINC001176121560 977956105 /nfs/dbraw/zinc/95/61/05/977956105.db2.gz XPVAGFFMKJFNBC-SNVBAGLBSA-N 1 2 244.294 2.887 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(O)c1OC ZINC001176124885 977956483 /nfs/dbraw/zinc/95/64/83/977956483.db2.gz UCPVTIHOSGRLQL-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2ocnc2c1 ZINC001176121743 977958227 /nfs/dbraw/zinc/95/82/27/977958227.db2.gz NLFGHHGNPPJVQN-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO COc1cc[nH+]cc1Nc1c(N)ccc(F)c1C ZINC001176124135 977959417 /nfs/dbraw/zinc/95/94/17/977959417.db2.gz JAXVKPINXOILHT-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1c[nH+]c(Nc2ccc(=O)[nH]c2)c(C)c1 ZINC001176126233 977962936 /nfs/dbraw/zinc/96/29/36/977962936.db2.gz BLKFVACBIUPFTE-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ccnc(C(F)(F)F)c1 ZINC001232236882 977972328 /nfs/dbraw/zinc/97/23/28/977972328.db2.gz KXMFCEDEYLEOCD-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ccnc(C(F)(F)F)c1 ZINC001232236882 977972338 /nfs/dbraw/zinc/97/23/38/977972338.db2.gz KXMFCEDEYLEOCD-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO CCOc1cc[nH+]cc1Nc1c(C)noc1C ZINC001176178608 977981711 /nfs/dbraw/zinc/98/17/11/977981711.db2.gz GTRRGKGBILCOIA-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc3nonc3c2)c1 ZINC001176319843 978037347 /nfs/dbraw/zinc/03/73/47/978037347.db2.gz MVASECCYXJEXGW-UHFFFAOYSA-N 1 2 226.239 2.670 20 0 BFADLO Cc1ncc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001176393364 978049487 /nfs/dbraw/zinc/04/94/87/978049487.db2.gz KVDIFQRZIRKUMT-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CCNc1ccc(Nc2ncnc(C)c2C)c[nH+]1 ZINC001336967669 978088042 /nfs/dbraw/zinc/08/80/42/978088042.db2.gz COAFCHCQEJEEHC-UHFFFAOYSA-N 1 2 243.314 2.664 20 0 BFADLO COc1cc[nH+]c(Nc2cc(O)ccc2OC)c1 ZINC001176572458 978132343 /nfs/dbraw/zinc/13/23/43/978132343.db2.gz ZYBJUNOMEYDIHA-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO Fc1nccc(Cl)c1C[NH+]1CCCCC1 ZINC001232611839 978195967 /nfs/dbraw/zinc/19/59/67/978195967.db2.gz BYICVIVYGUBFGJ-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO C[NH+](C)Cc1ccc(C(F)(F)F)nc1Cl ZINC001232790798 978274375 /nfs/dbraw/zinc/27/43/75/978274375.db2.gz ZUMAYFRWLCCDSC-UHFFFAOYSA-N 1 2 238.640 2.815 20 0 BFADLO CCCn1cnc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001232793659 978276511 /nfs/dbraw/zinc/27/65/11/978276511.db2.gz DDVQVZIUAMTPOT-LBPRGKRZSA-N 1 2 239.338 2.617 20 0 BFADLO CCCn1cnc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001232793659 978276516 /nfs/dbraw/zinc/27/65/16/978276516.db2.gz DDVQVZIUAMTPOT-LBPRGKRZSA-N 1 2 239.338 2.617 20 0 BFADLO COc1cc(Nc2[nH+]cccc2C)ccc1N ZINC001249712944 978296202 /nfs/dbraw/zinc/29/62/02/978296202.db2.gz KFOSUQZKAOUCOM-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC001177225469 978312287 /nfs/dbraw/zinc/31/22/87/978312287.db2.gz BMOBKHDIIGROHF-IHWYPQMZSA-N 1 2 245.301 2.660 20 0 BFADLO CC1CC([N@H+](C)Cc2ccc(F)c(O)c2F)C1 ZINC001232931031 978342792 /nfs/dbraw/zinc/34/27/92/978342792.db2.gz IFNDFYMCPQYWIR-UHFFFAOYSA-N 1 2 241.281 2.901 20 0 BFADLO CC1CC([N@@H+](C)Cc2ccc(F)c(O)c2F)C1 ZINC001232931031 978342800 /nfs/dbraw/zinc/34/28/00/978342800.db2.gz IFNDFYMCPQYWIR-UHFFFAOYSA-N 1 2 241.281 2.901 20 0 BFADLO c1cc(C2CC2)ccc1C[NH+]1CC2(CCO2)C1 ZINC001232983712 978381804 /nfs/dbraw/zinc/38/18/04/978381804.db2.gz QZEMZZULFAQJSZ-UHFFFAOYSA-N 1 2 229.323 2.539 20 0 BFADLO C[N@H+](CCC1CC1)Cc1cc(Cl)ncc1O ZINC001233038758 978419794 /nfs/dbraw/zinc/41/97/94/978419794.db2.gz GXMUOOZSECXAKH-UHFFFAOYSA-N 1 2 240.734 2.673 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1cc(Cl)ncc1O ZINC001233038758 978419797 /nfs/dbraw/zinc/41/97/97/978419797.db2.gz GXMUOOZSECXAKH-UHFFFAOYSA-N 1 2 240.734 2.673 20 0 BFADLO CCCC[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337640470 978439144 /nfs/dbraw/zinc/43/91/44/978439144.db2.gz PYDGYLCNUOUSGI-JTQLQIEISA-N 1 2 234.343 2.885 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cncs2)cnc1C ZINC001233162651 978482832 /nfs/dbraw/zinc/48/28/32/978482832.db2.gz IFXZIGFNIKJJGE-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cncs2)cnc1C ZINC001233162651 978482841 /nfs/dbraw/zinc/48/28/41/978482841.db2.gz IFXZIGFNIKJJGE-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C=Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC001177997468 978484282 /nfs/dbraw/zinc/48/42/82/978484282.db2.gz CGRDLWQLFYFQDB-UHFFFAOYSA-N 1 2 241.294 2.624 20 0 BFADLO Cc1cn2cccc(Nc3ccccc3N)c2[nH+]1 ZINC001206315780 978497098 /nfs/dbraw/zinc/49/70/98/978497098.db2.gz VUORFNMFWJLXEH-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C)[C@@H](F)C2)[nH+]1 ZINC001337818709 978510992 /nfs/dbraw/zinc/51/09/92/978510992.db2.gz DMDSDGBIFDDDLJ-KWQFWETISA-N 1 2 226.270 2.713 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@@H]2C2CC2)[nH+]1 ZINC001337836612 978520326 /nfs/dbraw/zinc/52/03/26/978520326.db2.gz DHSJSQKPRRXOQY-GFCCVEGCSA-N 1 2 220.291 2.908 20 0 BFADLO Clc1ccc(C[NH+]2CC(c3cccnc3)C2)o1 ZINC001233316452 978547839 /nfs/dbraw/zinc/54/78/39/978547839.db2.gz INGAQLYFVOOUMI-UHFFFAOYSA-N 1 2 248.713 2.927 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c(Cl)ncnc2Cl)C1 ZINC001233408035 978599189 /nfs/dbraw/zinc/59/91/89/978599189.db2.gz ZEXACFWIIALBIM-ZETCQYMHSA-N 1 2 246.141 2.625 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c(Cl)ncnc2Cl)C1 ZINC001233408035 978599201 /nfs/dbraw/zinc/59/92/01/978599201.db2.gz ZEXACFWIIALBIM-ZETCQYMHSA-N 1 2 246.141 2.625 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CC3CC(C3)C2)c1F ZINC001233396809 978599248 /nfs/dbraw/zinc/59/92/48/978599248.db2.gz XCVLVDQBMKGTDL-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO CCNc1ccc(Nc2ccnc(CC)n2)c[nH+]1 ZINC001338283228 978653586 /nfs/dbraw/zinc/65/35/86/978653586.db2.gz BNMOPDSSHQJXSJ-UHFFFAOYSA-N 1 2 243.314 2.609 20 0 BFADLO CCC(C)=C(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179091701 978666633 /nfs/dbraw/zinc/66/66/33/978666633.db2.gz AKEHYVIYNWTJNW-ZHACJKMWSA-N 1 2 249.358 2.896 20 0 BFADLO CC/C(C)=C(\C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179091701 978666636 /nfs/dbraw/zinc/66/66/36/978666636.db2.gz AKEHYVIYNWTJNW-ZHACJKMWSA-N 1 2 249.358 2.896 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC001338994291 978767964 /nfs/dbraw/zinc/76/79/64/978767964.db2.gz YMBCSWRALMUMKZ-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO CC[NH+]1CC(Oc2cc(F)cc(SC)c2)C1 ZINC001234294768 978815131 /nfs/dbraw/zinc/81/51/31/978815131.db2.gz UVFISJWXQYPCTI-UHFFFAOYSA-N 1 2 241.331 2.631 20 0 BFADLO CCOC(=[NH2+])c1ccc(OC[C@H]2CCCO2)cc1 ZINC001234588292 978864462 /nfs/dbraw/zinc/86/44/62/978864462.db2.gz KVTZPKROASXNBW-CYBMUJFWSA-N 1 2 249.310 2.606 20 0 BFADLO Cc1cc(F)cc(N(C)CCc2ccncc2)[nH+]1 ZINC001339547496 978869886 /nfs/dbraw/zinc/86/98/86/978869886.db2.gz QHCSVDQMCGXGGX-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO CCc1ccc(N2CCSC[C@H](C)C2)[nH+]c1 ZINC001339687540 978891990 /nfs/dbraw/zinc/89/19/90/978891990.db2.gz PGWFORAXQCELAD-LLVKDONJSA-N 1 2 236.384 2.833 20 0 BFADLO Cc1ccc(CN(C)c2cc(F)cc(C)[nH+]2)nc1 ZINC001339686154 978892978 /nfs/dbraw/zinc/89/29/78/978892978.db2.gz JCASJPGUGFHAGN-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO COc1cccnc1Nc1ccc(C)[nH+]c1C ZINC001203367235 979104363 /nfs/dbraw/zinc/10/43/63/979104363.db2.gz JSCNRFPHKKXMIH-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682090 979116746 /nfs/dbraw/zinc/11/67/46/979116746.db2.gz UYSZDMBQDNZIHW-SECBINFHSA-N 1 2 233.290 2.686 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682090 979116749 /nfs/dbraw/zinc/11/67/49/979116749.db2.gz UYSZDMBQDNZIHW-SECBINFHSA-N 1 2 233.290 2.686 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)cc(F)c(O)c1F ZINC001235997300 979291884 /nfs/dbraw/zinc/29/18/84/979291884.db2.gz CQNXPTYSRMNNBK-PIXFVPMGSA-N 1 2 229.201 2.685 20 0 BFADLO CSc1cc(Nc2ccc(C)[nH+]c2C)nn1C ZINC001203370258 979469460 /nfs/dbraw/zinc/46/94/60/979469460.db2.gz JVGFXVSZHRWYNO-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO CC(=CC=C[NH3+])c1ccc(C)c2n[nH]cc21 ZINC001236496943 979612776 /nfs/dbraw/zinc/61/27/76/979612776.db2.gz XMQVDUQJKLHXJL-DDEWIXKASA-N 1 2 213.284 2.747 20 0 BFADLO Cc1ccc(-c2ccnc(OC(C)C)c2)[nH+]c1N ZINC001236550570 979636129 /nfs/dbraw/zinc/63/61/29/979636129.db2.gz DVWRSLVBJZFROU-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CCOC1C[NH+](Cc2ccc(F)c3ccoc32)C1 ZINC001236890663 979783617 /nfs/dbraw/zinc/78/36/17/979783617.db2.gz LYNUGAANHOIDQJ-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO c1cc(C2CCC2)ccc1C[NH+]1CC2(CCO2)C1 ZINC001237110448 979819901 /nfs/dbraw/zinc/81/99/01/979819901.db2.gz IRMOORZFJZIAKC-UHFFFAOYSA-N 1 2 243.350 2.929 20 0 BFADLO Nc1cccc(C[N@@H+]2CCCCC(F)(F)C2)c1 ZINC001237217240 979847764 /nfs/dbraw/zinc/84/77/64/979847764.db2.gz SCGBCSQNVWKRDF-UHFFFAOYSA-N 1 2 240.297 2.890 20 0 BFADLO Nc1cccc(C[N@H+]2CCCCC(F)(F)C2)c1 ZINC001237217240 979847771 /nfs/dbraw/zinc/84/77/71/979847771.db2.gz SCGBCSQNVWKRDF-UHFFFAOYSA-N 1 2 240.297 2.890 20 0 BFADLO CCCOC1C[NH+](Cc2cccc(C)c2OC)C1 ZINC001237510155 979925452 /nfs/dbraw/zinc/92/54/52/979925452.db2.gz FASFUJVUOPZCSC-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC001237647424 979996601 /nfs/dbraw/zinc/99/66/01/979996601.db2.gz XGVLJQBZCSINCC-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2ccc(C)cc2)n1 ZINC001237647424 979996608 /nfs/dbraw/zinc/99/66/08/979996608.db2.gz XGVLJQBZCSINCC-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001237658746 980022206 /nfs/dbraw/zinc/02/22/06/980022206.db2.gz KTKYPLAXDPKXMW-HNNXBMFYSA-N 1 2 241.338 2.919 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC001237658746 980022217 /nfs/dbraw/zinc/02/22/17/980022217.db2.gz KTKYPLAXDPKXMW-HNNXBMFYSA-N 1 2 241.338 2.919 20 0 BFADLO COc1ccc(C)c(C[N@H+](C)Cc2ccon2)c1 ZINC001237711684 980031905 /nfs/dbraw/zinc/03/19/05/980031905.db2.gz SZPRZNBJCDIFLZ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C)c(C[N@@H+](C)Cc2ccon2)c1 ZINC001237711684 980031912 /nfs/dbraw/zinc/03/19/12/980031912.db2.gz SZPRZNBJCDIFLZ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccnc2)ccc1F ZINC001237813441 980062335 /nfs/dbraw/zinc/06/23/35/980062335.db2.gz KPQRPLKWHASYIA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccnc2)ccc1F ZINC001237813441 980062349 /nfs/dbraw/zinc/06/23/49/980062349.db2.gz KPQRPLKWHASYIA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1sccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001237964031 980117045 /nfs/dbraw/zinc/11/70/45/980117045.db2.gz CJPDEKSUNVVCIX-SECBINFHSA-N 1 2 223.341 2.610 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001237964031 980117049 /nfs/dbraw/zinc/11/70/49/980117049.db2.gz CJPDEKSUNVVCIX-SECBINFHSA-N 1 2 223.341 2.610 20 0 BFADLO CC[N@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237990681 980126486 /nfs/dbraw/zinc/12/64/86/980126486.db2.gz PFFPLAAJCNPEJK-UHFFFAOYSA-N 1 2 217.671 2.636 20 0 BFADLO CC[N@@H+](C)Cc1cc(F)c(O)c(Cl)c1 ZINC001237990681 980126487 /nfs/dbraw/zinc/12/64/87/980126487.db2.gz PFFPLAAJCNPEJK-UHFFFAOYSA-N 1 2 217.671 2.636 20 0 BFADLO CSCC[N@H+](C)Cc1cnc(F)cc1Cl ZINC001238029517 980130476 /nfs/dbraw/zinc/13/04/76/980130476.db2.gz FUVSUDDYJSKDBW-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CSCC[N@@H+](C)Cc1cnc(F)cc1Cl ZINC001238029517 980130478 /nfs/dbraw/zinc/13/04/78/980130478.db2.gz FUVSUDDYJSKDBW-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO Cc1ccc(O)cc1C[N@@H+]1CCn2cccc2C1 ZINC001238099508 980147510 /nfs/dbraw/zinc/14/75/10/980147510.db2.gz QVQGKRWECNKCDD-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1ccc(O)cc1C[N@H+]1CCn2cccc2C1 ZINC001238099508 980147514 /nfs/dbraw/zinc/14/75/14/980147514.db2.gz QVQGKRWECNKCDD-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO C[C@H]1C[NH+](Cc2cncc(C3CC3)c2)C[C@H](C)O1 ZINC001238188313 980218702 /nfs/dbraw/zinc/21/87/02/980218702.db2.gz USZZHBWBDNLLOY-RYUDHWBXSA-N 1 2 246.354 2.568 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001185562105 980245331 /nfs/dbraw/zinc/24/53/31/980245331.db2.gz GLZGHIRRDKVBNJ-NSHDSACASA-N 1 2 246.354 2.757 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+]1CCOC[C@H]1C ZINC001238759810 980316008 /nfs/dbraw/zinc/31/60/08/980316008.db2.gz OJHHPCSYAZVYNH-CYBMUJFWSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+]1CCOC[C@H]1C ZINC001238759810 980316015 /nfs/dbraw/zinc/31/60/15/980316015.db2.gz OJHHPCSYAZVYNH-CYBMUJFWSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC001238759811 980318787 /nfs/dbraw/zinc/31/87/87/980318787.db2.gz OJHHPCSYAZVYNH-ZDUSSCGKSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+]1CCOC[C@@H]1C ZINC001238759811 980318793 /nfs/dbraw/zinc/31/87/93/980318793.db2.gz OJHHPCSYAZVYNH-ZDUSSCGKSA-N 1 2 249.354 2.533 20 0 BFADLO c1cc(-c2ccc(C3CC3)nc2)c2c([nH+]1)NCC2 ZINC001238855476 980346080 /nfs/dbraw/zinc/34/60/80/980346080.db2.gz YYOCTHHVXCFCCL-UHFFFAOYSA-N 1 2 237.306 2.989 20 0 BFADLO FC(F)n1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001238866151 980352840 /nfs/dbraw/zinc/35/28/40/980352840.db2.gz BLRSWYSAXJQXHB-UHFFFAOYSA-N 1 2 234.209 2.593 20 0 BFADLO Sc1ccc(C2=CCC[NH2+]CC2)cc1 ZINC001238940914 980379091 /nfs/dbraw/zinc/37/90/91/980379091.db2.gz WULBAMAZLYWINU-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO COc1cccc(/C(C)=C/C=C/[NH3+])c1C ZINC001238984051 980407396 /nfs/dbraw/zinc/40/73/96/980407396.db2.gz RZGAXOYXBXCYIJ-NXZHAISVSA-N 1 2 203.285 2.879 20 0 BFADLO OCCc1cccc(-c2cccn3cc[nH+]c23)c1 ZINC001239029620 980416269 /nfs/dbraw/zinc/41/62/69/980416269.db2.gz LRCYJRQQNUEWAL-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO Cc1cc(-c2cccc(CCO)c2)cc(C)[nH+]1 ZINC001239030684 980416485 /nfs/dbraw/zinc/41/64/85/980416485.db2.gz PUGVJUPKWKQGIQ-UHFFFAOYSA-N 1 2 227.307 2.900 20 0 BFADLO CCc1cc(NCC2CC=CC2)nc(CC)[nH+]1 ZINC001187052932 980473719 /nfs/dbraw/zinc/47/37/19/980473719.db2.gz SJUYGTKKCKKGLL-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cnc1C ZINC001203655846 980493474 /nfs/dbraw/zinc/49/34/74/980493474.db2.gz DCJMRGDPJYCRQO-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCOc1cnc(Nc2cc(C)c[nH+]c2C)cn1 ZINC001203656054 980494739 /nfs/dbraw/zinc/49/47/39/980494739.db2.gz JNYTWSCOQMMKCQ-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccnc(F)c2)c1 ZINC001203656220 980495387 /nfs/dbraw/zinc/49/53/87/980495387.db2.gz MTOBGTYYKOAWTJ-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO C[C@H](CC(=O)O[C@@H](C)c1ccoc1)n1cc[nH+]c1 ZINC001345015499 980521076 /nfs/dbraw/zinc/52/10/76/980521076.db2.gz QYTQKGAPNCOLPL-MNOVXSKESA-N 1 2 248.282 2.732 20 0 BFADLO c1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001239468182 980596067 /nfs/dbraw/zinc/59/60/67/980596067.db2.gz FQHINPLVPLGCDF-UHFFFAOYSA-N 1 2 210.280 2.749 20 0 BFADLO Cn1ccc2c[nH+]c(-c3ccc(F)cc3)nc21 ZINC001239472847 980605104 /nfs/dbraw/zinc/60/51/04/980605104.db2.gz SDAQWGNYNIHSFX-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO COc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001239481655 980626637 /nfs/dbraw/zinc/62/66/37/980626637.db2.gz GEHNQYSHXVVDHQ-UHFFFAOYSA-N 1 2 225.251 2.585 20 0 BFADLO COc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001239486465 980636779 /nfs/dbraw/zinc/63/67/79/980636779.db2.gz RDLZDKXDELAAJF-UHFFFAOYSA-N 1 2 240.306 2.758 20 0 BFADLO COc1ncc(-c2[nH+]ccc3[nH]ccc32)cc1F ZINC001239496690 980657134 /nfs/dbraw/zinc/65/71/34/980657134.db2.gz WGRWCQVKVVQFSP-UHFFFAOYSA-N 1 2 243.241 2.773 20 0 BFADLO COc1ncc(-c2cc3[nH]ccc3c[nH+]2)cc1F ZINC001239496779 980657151 /nfs/dbraw/zinc/65/71/51/980657151.db2.gz XZBGQWAIRKDQLA-UHFFFAOYSA-N 1 2 243.241 2.773 20 0 BFADLO COc1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001239517237 980687575 /nfs/dbraw/zinc/68/75/75/980687575.db2.gz YCLUTDIBZBGBTO-UHFFFAOYSA-N 1 2 225.251 2.585 20 0 BFADLO CC(=O)Nc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001239529479 980702786 /nfs/dbraw/zinc/70/27/86/980702786.db2.gz QMQLONXKKUEBMU-DXNUHORPSA-N 1 2 216.284 2.521 20 0 BFADLO COc1ccccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001239539330 980717064 /nfs/dbraw/zinc/71/70/64/980717064.db2.gz YSBQPKHXQBQKGL-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO c1c[nH+]c(N2CCCC2)c(Cc2ccncc2)c1 ZINC001250313401 980748220 /nfs/dbraw/zinc/74/82/20/980748220.db2.gz TVCKYMNBHAFQEI-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO c1cc2ccc(CCn3cc[nH+]c3)cc2[nH]1 ZINC001250315042 980752733 /nfs/dbraw/zinc/75/27/33/980752733.db2.gz BTNSRBPWJOEUAD-UHFFFAOYSA-N 1 2 211.268 2.607 20 0 BFADLO Cc1c(-c2cccnc2)ccc2[nH+]ccn21 ZINC001239571290 980759492 /nfs/dbraw/zinc/75/94/92/980759492.db2.gz ZPCXSRRCXBTSJI-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CNc1cc(-c2ccc(OC)cc2OC)cc[nH+]1 ZINC001239623771 980813536 /nfs/dbraw/zinc/81/35/36/980813536.db2.gz FKHBMCBGRDXYNN-UHFFFAOYSA-N 1 2 244.294 2.808 20 0 BFADLO CNc1cc(-c2ccc(C(C)=O)cc2)cc[nH+]1 ZINC001239632157 980819995 /nfs/dbraw/zinc/81/99/95/980819995.db2.gz RMUSQETZVVJELQ-UHFFFAOYSA-N 1 2 226.279 2.993 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccoc1 ZINC001239689110 980846736 /nfs/dbraw/zinc/84/67/36/980846736.db2.gz TULKYDDFANQSCT-UHFFFAOYSA-N 1 2 202.257 2.716 20 0 BFADLO CNc1cc(-c2ccccc2NC(C)=O)cc[nH+]1 ZINC001239782155 980911855 /nfs/dbraw/zinc/91/18/55/980911855.db2.gz MBBPGKCACFKDCM-UHFFFAOYSA-N 1 2 241.294 2.749 20 0 BFADLO Cc1cnc(C)c(-c2cc[nH+]c3c2CCN3)c1 ZINC001239913262 981030199 /nfs/dbraw/zinc/03/01/99/981030199.db2.gz GWLRNKGBBYPKMF-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO CCCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC001347320928 981046915 /nfs/dbraw/zinc/04/69/15/981046915.db2.gz WSCXIJVEWVUHKI-SNVBAGLBSA-N 1 2 237.347 2.951 20 0 BFADLO COCc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001239953185 981058374 /nfs/dbraw/zinc/05/83/74/981058374.db2.gz GLZIHXAZVQUUMU-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO CSCCc1[nH]c2cc(C)c(F)cc2[nH+]1 ZINC001250426179 981062168 /nfs/dbraw/zinc/06/21/68/981062168.db2.gz IFFWDTNLZVFQTE-UHFFFAOYSA-N 1 2 224.304 2.916 20 0 BFADLO Cc1ccncc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001239974812 981080764 /nfs/dbraw/zinc/08/07/64/981080764.db2.gz YMAYBFNMUZEVFY-UHFFFAOYSA-N 1 2 236.278 2.638 20 0 BFADLO Cc1cc(-c2ccc3cncnc3c2)c[nH+]c1N ZINC001239990955 981088160 /nfs/dbraw/zinc/08/81/60/981088160.db2.gz CNRSOUQVHSQYCV-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO COc1cc(F)ccc1/C(C)=C/C=C/[NH3+] ZINC001239997237 981091382 /nfs/dbraw/zinc/09/13/82/981091382.db2.gz WBOUFOGUBDBCEY-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO CCCn1cc(-c2ccc3[nH+]ccn3c2C)cn1 ZINC001240133210 981135843 /nfs/dbraw/zinc/13/58/43/981135843.db2.gz GYIYHPFFHKVBOD-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO CCCn1cc(-c2cc(C)cn3cc[nH+]c23)cn1 ZINC001240134158 981136044 /nfs/dbraw/zinc/13/60/44/981136044.db2.gz UJZWCGHIKLZOLN-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)ncc1F ZINC001240213997 981161558 /nfs/dbraw/zinc/16/15/58/981161558.db2.gz IXZFAVDYJYUFKI-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cc(-c3nccc4ccncc43)ccc2[nH+]1 ZINC001240214245 981161661 /nfs/dbraw/zinc/16/16/61/981161661.db2.gz MIYUEDYEWOZWFZ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cc2ccc(-c3ccc4[nH+]ccn4c3)nc2[nH]1 ZINC001240213559 981161826 /nfs/dbraw/zinc/16/18/26/981161826.db2.gz FIJHEDBFZRZMGW-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1c(F)nccc1-c1ccc2[nH+]ccn2c1 ZINC001240217967 981166479 /nfs/dbraw/zinc/16/64/79/981166479.db2.gz UDPQUGIZEOFOPS-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cn2cc(-c3ccc4[nH]cnc4c3)ccc2[nH+]1 ZINC001240217674 981166863 /nfs/dbraw/zinc/16/68/63/981166863.db2.gz LHINCLJLZXAPBQ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCOc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217381 981167236 /nfs/dbraw/zinc/16/72/36/981167236.db2.gz ATSBFJKLKHKLEE-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO Cc1ccc(N)cc1-c1ccc2[nH+]ccn2c1 ZINC001240217445 981167497 /nfs/dbraw/zinc/16/74/97/981167497.db2.gz DITPVIGJQRQKMJ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240217452 981167612 /nfs/dbraw/zinc/16/76/12/981167612.db2.gz DSCHBKKFQMPSGG-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1ncc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240218119 981167660 /nfs/dbraw/zinc/16/76/60/981167660.db2.gz BMIHEZUBQSTPLH-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1nccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240218965 981169841 /nfs/dbraw/zinc/16/98/41/981169841.db2.gz ROFSCKYWCYPSGC-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Fc1cnc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219362 981170322 /nfs/dbraw/zinc/17/03/22/981170322.db2.gz IIWYWEFIFRQLHN-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO CCc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240218987 981171436 /nfs/dbraw/zinc/17/14/36/981171436.db2.gz SXIBNGIKNQUKEP-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)c(F)n1 ZINC001240221539 981174739 /nfs/dbraw/zinc/17/47/39/981174739.db2.gz UZAAJTXBVBSBCC-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001347883377 981206895 /nfs/dbraw/zinc/20/68/95/981206895.db2.gz QKGXXSWVBBPYRY-OLZOCXBDSA-N 1 2 249.358 2.695 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001347883376 981207876 /nfs/dbraw/zinc/20/78/76/981207876.db2.gz QKGXXSWVBBPYRY-CHWSQXEVSA-N 1 2 249.358 2.695 20 0 BFADLO Cc1cc(F)cc(N(C)Cc2cscn2)[nH+]1 ZINC001347946349 981223491 /nfs/dbraw/zinc/22/34/91/981223491.db2.gz WKNGABKTOLRTDZ-UHFFFAOYSA-N 1 2 237.303 2.622 20 0 BFADLO Nc1ccc(-c2cccc(-n3cccn3)c2)c[nH+]1 ZINC001240247059 981225373 /nfs/dbraw/zinc/22/53/73/981225373.db2.gz MONZKVDQPAHMPK-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO CCC/C(C)=C\C(=O)OCc1c[nH+]cn1CC ZINC001347973998 981231888 /nfs/dbraw/zinc/23/18/88/981231888.db2.gz YPGIMIVTNDMPQP-XFFZJAGNSA-N 1 2 236.315 2.693 20 0 BFADLO CCc1ccc(N2CC[C@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC001348052524 981265888 /nfs/dbraw/zinc/26/58/88/981265888.db2.gz QCFDYHUALGDJRK-UONOGXRCSA-N 1 2 246.354 2.507 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@H]3C[C@H]32)[nH+]1 ZINC001348172663 981303382 /nfs/dbraw/zinc/30/33/82/981303382.db2.gz RZHWFTLCXFKGEA-GXSJLCMTSA-N 1 2 206.264 2.518 20 0 BFADLO Nc1ccc(-c2ccnc(C(F)(F)F)c2)c[nH+]1 ZINC001240339146 981307113 /nfs/dbraw/zinc/30/71/13/981307113.db2.gz NMTQWXFFODJDGY-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO Cc1c(-c2ccc(-n3cc[nH+]c3)cc2)cnn1C ZINC001240381359 981341512 /nfs/dbraw/zinc/34/15/12/981341512.db2.gz NOPPJXZTYXNPLI-UHFFFAOYSA-N 1 2 238.294 2.581 20 0 BFADLO CCCCOC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001193658404 981402653 /nfs/dbraw/zinc/40/26/53/981402653.db2.gz JGGJVWDRFAOXIP-UHFFFAOYSA-N 1 2 247.298 2.991 20 0 BFADLO CSc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240496174 981416094 /nfs/dbraw/zinc/41/60/94/981416094.db2.gz JNRDUGXJVFZEHW-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO COc1cc(C)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496212 981417918 /nfs/dbraw/zinc/41/79/18/981417918.db2.gz IGAFWYFXTRPSRW-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2ccc(-c3ccc4cccnc4n3)cc2[nH+]1 ZINC001240497004 981418874 /nfs/dbraw/zinc/41/88/74/981418874.db2.gz VKXLOJLGOJVMMQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2ccc(-c3nccc4cccnc43)cc2[nH+]1 ZINC001240497022 981419389 /nfs/dbraw/zinc/41/93/89/981419389.db2.gz WBFJQGUXPZDFAZ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)cnc1F ZINC001240504034 981430938 /nfs/dbraw/zinc/43/09/38/981430938.db2.gz VJEZMZWIQYCTLZ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3nncc4ccoc43)cc2[nH+]1 ZINC001240503183 981431772 /nfs/dbraw/zinc/43/17/72/981431772.db2.gz JIEZXVYASCNIEZ-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO COc1cnc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240502956 981432042 /nfs/dbraw/zinc/43/20/42/981432042.db2.gz CAVAPCUNTKHDMP-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cn2ccc(-c3cccc4c3OCO4)cc2[nH+]1 ZINC001240503173 981432212 /nfs/dbraw/zinc/43/22/12/981432212.db2.gz IYDMXUPUVJUZOB-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO c1cn2ccc(-c3ccc4nnccc4c3)cc2[nH+]1 ZINC001240510154 981433796 /nfs/dbraw/zinc/43/37/96/981433796.db2.gz DKIOEKAHALKEPV-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240510160 981435073 /nfs/dbraw/zinc/43/50/73/981435073.db2.gz DPZASLMSDNTODO-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cn1ccc2ncc(-c3ccn4cc[nH+]c4c3)cc21 ZINC001240511281 981435588 /nfs/dbraw/zinc/43/55/88/981435588.db2.gz CTHIGLJMOZIVKB-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1nc2[nH]ccc2nc1-c1ccn2cc[nH+]c2c1 ZINC001240510447 981437141 /nfs/dbraw/zinc/43/71/41/981437141.db2.gz KRSZGYMYZQPZRH-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Fc1ccnc(F)c1-c1ccn2cc[nH+]c2c1 ZINC001240512529 981438105 /nfs/dbraw/zinc/43/81/05/981438105.db2.gz VCNNJWVSLJJWSQ-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO CC(C)c1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240518376 981447508 /nfs/dbraw/zinc/44/75/08/981447508.db2.gz OSONVKWPIWHRNP-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Nc1cc(-c2cccc(N3CCCC3)c2)cc[nH+]1 ZINC001240536771 981469280 /nfs/dbraw/zinc/46/92/80/981469280.db2.gz XPVLYHVPLMKILR-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC[C@H](F)C1 ZINC001331531084 981487524 /nfs/dbraw/zinc/48/75/24/981487524.db2.gz FQOWXWGZAHUQMA-UWVGGRQHSA-N 1 2 224.279 2.783 20 0 BFADLO CCNC(=O)Nc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001240580623 981487794 /nfs/dbraw/zinc/48/77/94/981487794.db2.gz MNUQUQYDLMEQDG-ZVSIBQGLSA-N 1 2 245.326 2.704 20 0 BFADLO COC(=O)c1c[nH+]c(C=C(C)C)c2ccn(C)c21 ZINC001240633193 981526834 /nfs/dbraw/zinc/52/68/34/981526834.db2.gz LDFKVKROJHYMOQ-UHFFFAOYSA-N 1 2 244.294 2.783 20 0 BFADLO CN(C)c1cc[nH+]c(-c2cc(F)ccc2O)c1 ZINC001240693144 981597183 /nfs/dbraw/zinc/59/71/83/981597183.db2.gz CVRNWNMSIKMFMA-UHFFFAOYSA-N 1 2 232.258 2.659 20 0 BFADLO CC1(C)C[N@H+](Cc2nc(CC3CC3)no2)C1(C)C ZINC001349648299 981608756 /nfs/dbraw/zinc/60/87/56/981608756.db2.gz JTJOELQDZPAKOO-UHFFFAOYSA-N 1 2 249.358 2.643 20 0 BFADLO CC1(C)C[N@@H+](Cc2nc(CC3CC3)no2)C1(C)C ZINC001349648299 981608789 /nfs/dbraw/zinc/60/87/89/981608789.db2.gz JTJOELQDZPAKOO-UHFFFAOYSA-N 1 2 249.358 2.643 20 0 BFADLO c1nsnc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001349761112 981712412 /nfs/dbraw/zinc/71/24/12/981712412.db2.gz UVCCNIZVRFYHEX-WDEREUQCSA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001349761112 981712443 /nfs/dbraw/zinc/71/24/43/981712443.db2.gz UVCCNIZVRFYHEX-WDEREUQCSA-N 1 2 237.372 2.550 20 0 BFADLO CCC[C@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001349791755 981745088 /nfs/dbraw/zinc/74/50/88/981745088.db2.gz OFMLZGWEWCDAQT-JTQLQIEISA-N 1 2 234.343 2.885 20 0 BFADLO C=Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC001240828889 981869066 /nfs/dbraw/zinc/86/90/66/981869066.db2.gz FHPPMMGNGLFDAE-UHFFFAOYSA-N 1 2 248.289 2.972 20 0 BFADLO COc1cc(F)c(-c2ccc[nH+]c2N)cc1F ZINC001240955842 982025020 /nfs/dbraw/zinc/02/50/20/982025020.db2.gz FKQOQNOEPQNVQE-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(N(C)C)c1 ZINC001240986708 982070722 /nfs/dbraw/zinc/07/07/22/982070722.db2.gz SQHJOXAEAHLCKK-MPEOSAONSA-N 1 2 202.301 2.628 20 0 BFADLO CCOc1cc(F)cc(-c2ccc(N)[nH+]c2)c1 ZINC001241024568 982117730 /nfs/dbraw/zinc/11/77/30/982117730.db2.gz DVEYBXJFGKDAOT-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO COc1cc(-c2ccc(N)[nH+]c2)ccc1C ZINC001241033921 982135554 /nfs/dbraw/zinc/13/55/54/982135554.db2.gz QXMVRVOXGKAIDX-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccccc1N ZINC001241075658 982194707 /nfs/dbraw/zinc/19/47/07/982194707.db2.gz QXJBKJRRYDRURI-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccc[nH]c2=O)cc1 ZINC001241122120 982249029 /nfs/dbraw/zinc/24/90/29/982249029.db2.gz YBGOLWJUYIILRT-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO COc1cc(OC)cc(/C(C)=C/C=C/[NH3+])c1 ZINC001241128910 982256994 /nfs/dbraw/zinc/25/69/94/982256994.db2.gz AFOWJTOPXZNDMF-GQYICFGZSA-N 1 2 219.284 2.580 20 0 BFADLO CC(C)(O)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241162807 982305015 /nfs/dbraw/zinc/30/50/15/982305015.db2.gz IGCWWTQBARRIHL-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2ccnc(N)c2)c1 ZINC001241170193 982318930 /nfs/dbraw/zinc/31/89/30/982318930.db2.gz WUZAUYSQMVLYPK-UHFFFAOYSA-N 1 2 241.294 2.693 20 0 BFADLO Nc1cc(-c2cc3[nH]ccc3c(F)c2)cc[nH+]1 ZINC001241171196 982321377 /nfs/dbraw/zinc/32/13/77/982321377.db2.gz XOIGFGAEXWHHQB-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Cc1cc(OC(C)C)ncc1-c1cc[nH+]c(N)c1 ZINC001241175653 982324305 /nfs/dbraw/zinc/32/43/05/982324305.db2.gz ITLDEHAVBBCBQH-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CC[C@H](F)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001351554303 982334774 /nfs/dbraw/zinc/33/47/74/982334774.db2.gz GGRNCGCXWANSBK-JTQLQIEISA-N 1 2 224.279 2.693 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)ccn1 ZINC001241228115 982377719 /nfs/dbraw/zinc/37/77/19/982377719.db2.gz GCTUXBNURXTAPA-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)nc1F ZINC001241242700 982385820 /nfs/dbraw/zinc/38/58/20/982385820.db2.gz JZOPEJICEIVACA-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO Oc1ccc(F)c(-c2ccc3[nH+]ccn3c2)c1F ZINC001241292933 982434828 /nfs/dbraw/zinc/43/48/28/982434828.db2.gz ODQZTVFTVYHKET-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Cc1cncc(C[N@H+](Cc2ccco2)C2CC2)n1 ZINC001203176468 982559228 /nfs/dbraw/zinc/55/92/28/982559228.db2.gz ZRNFHIJIVDMQKC-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cncc(C[N@@H+](Cc2ccco2)C2CC2)n1 ZINC001203176468 982559236 /nfs/dbraw/zinc/55/92/36/982559236.db2.gz ZRNFHIJIVDMQKC-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cn1ncc2cc(-c3cccn4cc[nH+]c34)ccc21 ZINC001241438817 982592368 /nfs/dbraw/zinc/59/23/68/982592368.db2.gz PBOJCGKMJCLRQJ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1ncc2c1cccc2-c1ccn2cc[nH+]c2c1 ZINC001241449418 982603606 /nfs/dbraw/zinc/60/36/06/982603606.db2.gz XDPBQOKADSTGQG-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO c1cn(-c2ccc(-c3cncs3)cc2)c[nH+]1 ZINC001241497416 982654816 /nfs/dbraw/zinc/65/48/16/982654816.db2.gz ISONPEVNYPHXSD-UHFFFAOYSA-N 1 2 227.292 2.996 20 0 BFADLO Cc1c(-c2cccc(CO)c2)ccc2[nH+]ccn21 ZINC001241512606 982671830 /nfs/dbraw/zinc/67/18/30/982671830.db2.gz XRIAMODXXCUGAW-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(-c2c3c[nH]nc3ccc2C)cc[nH+]1 ZINC001241522917 982692052 /nfs/dbraw/zinc/69/20/52/982692052.db2.gz DREYWVJJVBVGCM-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)C(F)=C1CCC1 ZINC001353495888 982870551 /nfs/dbraw/zinc/87/05/51/982870551.db2.gz XFDLDQVXQGYUOW-UHFFFAOYSA-N 1 2 245.257 2.680 20 0 BFADLO Cc1n[nH]c2cc(-c3ccc(N)[nH+]c3)ccc12 ZINC001241639895 982878188 /nfs/dbraw/zinc/87/81/88/982878188.db2.gz BFLWHQUDJLZYTQ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1n[nH]c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001241668162 982899332 /nfs/dbraw/zinc/89/93/32/982899332.db2.gz HVVKFZPNNFJPFT-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cn1ccc2c1cc[nH+]c2-c1ccc(F)cn1 ZINC001241805599 983059300 /nfs/dbraw/zinc/05/93/00/983059300.db2.gz BUFGDNYZCDSBEI-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Fc1ccc(-c2[nH+]ccc3[nH]ccc32)nc1 ZINC001241803189 983059497 /nfs/dbraw/zinc/05/94/97/983059497.db2.gz NXVFUHRJMIWMFC-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO Fc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001241808405 983065810 /nfs/dbraw/zinc/06/58/10/983065810.db2.gz REKYCFRUDLOAIX-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cn1ccc2c1cccc2-c1cc[nH+]c2c1CCN2 ZINC001241823313 983074759 /nfs/dbraw/zinc/07/47/59/983074759.db2.gz MVMCOPFIMOCGII-UHFFFAOYSA-N 1 2 249.317 2.851 20 0 BFADLO Cc1cc(CNc2cccnc2)cc(C)[nH+]1 ZINC001200910322 983109338 /nfs/dbraw/zinc/10/93/38/983109338.db2.gz BUUHLBBVZPBBAS-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1cn2cc(-c3cnn(C4CC4)c3)ccc2[nH+]1 ZINC001241907945 983121007 /nfs/dbraw/zinc/12/10/07/983121007.db2.gz SETVSQCSVFPIKT-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO COc1ccc(-c2cc(C)[nH+]c(C)c2)cc1CO ZINC001241928496 983146553 /nfs/dbraw/zinc/14/65/53/983146553.db2.gz JPBLAZBPVWHTOT-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO Cc1c(C)c(Nc2ccc(N)[nH+]c2)ccc1O ZINC001201285524 983161920 /nfs/dbraw/zinc/16/19/20/983161920.db2.gz JUPBQQBOSFAWMU-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Nc1ccc(Nc2cccc3c2CCC3=O)c[nH+]1 ZINC001201286984 983162856 /nfs/dbraw/zinc/16/28/56/983162856.db2.gz MDNSFZROKHYLAZ-UHFFFAOYSA-N 1 2 239.278 2.536 20 0 BFADLO Cc1cc(C)c(N)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201286948 983163477 /nfs/dbraw/zinc/16/34/77/983163477.db2.gz JNDCWAGWUSNQTN-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO Cn1ccc2cc(Nc3ccc(N)[nH+]c3)ccc21 ZINC001201287206 983166062 /nfs/dbraw/zinc/16/60/62/983166062.db2.gz ZAXNKBLYCLMQBL-UHFFFAOYSA-N 1 2 238.294 2.899 20 0 BFADLO CC(=O)c1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201292247 983169457 /nfs/dbraw/zinc/16/94/57/983169457.db2.gz MDQLFNOQLHPXAO-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO Nc1ccc(Nc2cnc3ccccc3c2)c[nH+]1 ZINC001201271787 983171530 /nfs/dbraw/zinc/17/15/30/983171530.db2.gz CCMJXQDXLNFWTM-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO CC(C)(C)c1nnc(Nc2ccc(N)[nH+]c2)s1 ZINC001201272569 983172657 /nfs/dbraw/zinc/17/26/57/983172657.db2.gz QDANBCBKGCEKDF-UHFFFAOYSA-N 1 2 249.343 2.556 20 0 BFADLO c1cn2cccc(NC3=CCSCC3)c2[nH+]1 ZINC001201332382 983181881 /nfs/dbraw/zinc/18/18/81/983181881.db2.gz OUGRZGBVGLZWMO-UHFFFAOYSA-N 1 2 231.324 2.767 20 0 BFADLO CCN(C)c1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001201300466 983182099 /nfs/dbraw/zinc/18/20/99/983182099.db2.gz SJPOYSKOCNSWRU-UHFFFAOYSA-N 1 2 242.326 2.864 20 0 BFADLO Cc1cc(-c2cnc3[nH]cnc3c2)cc(C)[nH+]1 ZINC001241991604 983182691 /nfs/dbraw/zinc/18/26/91/983182691.db2.gz HCGRFZUKQZWVDY-UHFFFAOYSA-N 1 2 224.267 2.637 20 0 BFADLO Cc1cc(-c2cnc3c(c2)ncn3C)cc(C)[nH+]1 ZINC001241991999 983185581 /nfs/dbraw/zinc/18/55/81/983185581.db2.gz BECJOCAFWFPMDY-UHFFFAOYSA-N 1 2 238.294 2.647 20 0 BFADLO COc1ccc(-c2cc(C)[nH+]c(C)c2)c(N)c1 ZINC001241994240 983187892 /nfs/dbraw/zinc/18/78/92/983187892.db2.gz RIMHNQBRDGCZKK-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCc1cc(OC)ccc1-c1[nH]cc[nH+]1 ZINC001242013962 983209274 /nfs/dbraw/zinc/20/92/74/983209274.db2.gz ANOIGDXVZHGNTQ-UHFFFAOYSA-N 1 2 202.257 2.648 20 0 BFADLO CCc1ccc(N2C[C@@H](OC)CC[C@@H]2C)[nH+]c1 ZINC001354248906 983223982 /nfs/dbraw/zinc/22/39/82/983223982.db2.gz VVBKGQVRRPTGDL-AAEUAGOBSA-N 1 2 234.343 2.648 20 0 BFADLO CCc1ccc(N2C[C@H](OC)CC[C@@H]2C)[nH+]c1 ZINC001354248911 983224212 /nfs/dbraw/zinc/22/42/12/983224212.db2.gz VVBKGQVRRPTGDL-WCQYABFASA-N 1 2 234.343 2.648 20 0 BFADLO COc1ccncc1-c1cc(C)cn2cc[nH+]c12 ZINC001242056567 983263359 /nfs/dbraw/zinc/26/33/59/983263359.db2.gz CEYWDOVMXRKUKY-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2ccnnc2)c1 ZINC001242058799 983267384 /nfs/dbraw/zinc/26/73/84/983267384.db2.gz KIUUFHFOVFZUGU-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ccnnc2)cc1 ZINC001242061283 983277063 /nfs/dbraw/zinc/27/70/63/983277063.db2.gz ARKKLIBVMJVXEI-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO CNc1ccc(-c2cn3cc[nH+]c3cc2C)cn1 ZINC001242069242 983299957 /nfs/dbraw/zinc/29/99/57/983299957.db2.gz DQLYSJCXXUFWAU-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2cccnc21 ZINC001242070770 983304347 /nfs/dbraw/zinc/30/43/47/983304347.db2.gz LIBCTSNAKFGPJR-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CCc1cc(CC)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242078043 983325976 /nfs/dbraw/zinc/32/59/76/983325976.db2.gz PZOCIMFEFWQMKE-UHFFFAOYSA-N 1 2 242.326 2.554 20 0 BFADLO CNc1cc(-c2ccc(O)c(C)c2)cc[nH+]1 ZINC001242121583 983362860 /nfs/dbraw/zinc/36/28/60/983362860.db2.gz NYBIAEUEPMZVDM-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cncc(O)c1 ZINC001201629185 983385095 /nfs/dbraw/zinc/38/50/95/983385095.db2.gz QJYNWKWOHUNQPN-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO COc1ccc(-c2cccn3cc[nH+]c23)cc1O ZINC001242174338 983393125 /nfs/dbraw/zinc/39/31/25/983393125.db2.gz YNOSJVFBAOTCCJ-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CCCN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001201648407 983402454 /nfs/dbraw/zinc/40/24/54/983402454.db2.gz WLSKOCSTBZGQIL-AWEZNQCLSA-N 1 2 232.371 2.603 20 0 BFADLO CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001201648407 983402462 /nfs/dbraw/zinc/40/24/62/983402462.db2.gz WLSKOCSTBZGQIL-AWEZNQCLSA-N 1 2 232.371 2.603 20 0 BFADLO CCCN1CC[C@@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001201652486 983404825 /nfs/dbraw/zinc/40/48/25/983404825.db2.gz NVCYBAMOBURWKD-GFCCVEGCSA-N 1 2 246.345 2.592 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(OCC2CC2)nc1 ZINC001242213213 983408234 /nfs/dbraw/zinc/40/82/34/983408234.db2.gz DEWWCKPDOQQELB-GGBREQKCSA-N 1 2 230.311 2.746 20 0 BFADLO Cc1c[nH+]c(Nc2ccc(C3CC3)nc2)c(N)c1 ZINC001201702378 983410937 /nfs/dbraw/zinc/41/09/37/983410937.db2.gz JMMSPBIOUWUMJR-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO CCCC[NH+]1CC(Oc2ccccc2F)C1 ZINC001201715156 983423944 /nfs/dbraw/zinc/42/39/44/983423944.db2.gz LCSMNJNKZIFIOP-UHFFFAOYSA-N 1 2 223.291 2.689 20 0 BFADLO Nc1cccc(C2=CCC(F)(F)CC2)[nH+]1 ZINC001242231323 983430808 /nfs/dbraw/zinc/43/08/08/983430808.db2.gz VHOOADUKOJTYHC-UHFFFAOYSA-N 1 2 210.227 2.866 20 0 BFADLO Cc1ccsc1CNc1cc(N(C)C)nc[nH+]1 ZINC001355222864 983450050 /nfs/dbraw/zinc/45/00/50/983450050.db2.gz FJFMYHAALNMMNK-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1ccsc1CNc1cc(N(C)C)[nH+]cn1 ZINC001355222864 983450053 /nfs/dbraw/zinc/45/00/53/983450053.db2.gz FJFMYHAALNMMNK-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CCCCCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201743175 983452332 /nfs/dbraw/zinc/45/23/32/983452332.db2.gz MFSISZYKBIFWFL-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001201743175 983452337 /nfs/dbraw/zinc/45/23/37/983452337.db2.gz MFSISZYKBIFWFL-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO CCc1cc(NCCc2ccc[nH]2)nc(CC)[nH+]1 ZINC001355264493 983455522 /nfs/dbraw/zinc/45/55/22/983455522.db2.gz WJXHUWNCDVIABQ-UHFFFAOYSA-N 1 2 244.342 2.584 20 0 BFADLO Cc1cccc(-c2cc[nH+]c3c2CCN3)c1O ZINC001242347818 983607952 /nfs/dbraw/zinc/60/79/52/983607952.db2.gz BTAJTVXLARKURX-UHFFFAOYSA-N 1 2 226.279 2.731 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2ccc(F)cc2)n1C ZINC001202345588 983626012 /nfs/dbraw/zinc/62/60/12/983626012.db2.gz AOZROBJDAGOJLT-UHFFFAOYSA-N 1 2 248.261 2.512 20 0 BFADLO Cc1cn2cc(-c3cnc(C)c(N)c3)ccc2[nH+]1 ZINC001242410331 983717249 /nfs/dbraw/zinc/71/72/49/983717249.db2.gz AZBBAVAABWFUEE-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(-c2nccn2C)cc1 ZINC001242494962 983815398 /nfs/dbraw/zinc/81/53/98/983815398.db2.gz AVJHJMILMBPVOY-KGNILVOKSA-N 1 2 239.322 2.963 20 0 BFADLO OCc1ccc(-c2cc3[nH]ccc3c[nH+]2)cc1F ZINC001242530007 983851576 /nfs/dbraw/zinc/85/15/76/983851576.db2.gz WNVQTSBLRQQOEX-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO C[C@@H](O)c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001242543967 983865730 /nfs/dbraw/zinc/86/57/30/983865730.db2.gz LIXOJPAHOPUCQI-SECBINFHSA-N 1 2 239.278 2.630 20 0 BFADLO CNc1cc(-c2cccc([C@@H](C)O)c2)cc[nH+]1 ZINC001242554829 983876818 /nfs/dbraw/zinc/87/68/18/983876818.db2.gz QTTATXXPXIHLMG-SNVBAGLBSA-N 1 2 228.295 2.844 20 0 BFADLO CC(C)n1nccc1-c1ccn2cc[nH+]c2c1 ZINC001242558123 983882843 /nfs/dbraw/zinc/88/28/43/983882843.db2.gz MWTDSYANLFTNDI-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO CCCN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001473548352 983888439 /nfs/dbraw/zinc/88/84/39/983888439.db2.gz WLSKOCSTBZGQIL-CQSZACIVSA-N 1 2 232.371 2.603 20 0 BFADLO CCCN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001473548352 983888443 /nfs/dbraw/zinc/88/84/43/983888443.db2.gz WLSKOCSTBZGQIL-CQSZACIVSA-N 1 2 232.371 2.603 20 0 BFADLO Cc1cn2c(cccc2-c2cnoc2C)[nH+]1 ZINC001242602035 983952882 /nfs/dbraw/zinc/95/28/82/983952882.db2.gz YZJHXYWUMSHLQY-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO Cc1cn2cc(-c3cnoc3C)ccc2[nH+]1 ZINC001242603262 983955634 /nfs/dbraw/zinc/95/56/34/983955634.db2.gz WVNGVJLCTGMBHT-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CC(C)(O)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001242624542 984004706 /nfs/dbraw/zinc/00/47/06/984004706.db2.gz IMCVXEKUCMWKSP-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO Cc1csc(C[NH+]2CC(OC(C)C)C2)c1 ZINC001137159625 984006714 /nfs/dbraw/zinc/00/67/14/984006714.db2.gz GRADRVYTKWATQE-UHFFFAOYSA-N 1 2 225.357 2.666 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cccc(=O)[nH]1 ZINC001212786433 984013772 /nfs/dbraw/zinc/01/37/72/984013772.db2.gz VWWZMHHLQYOHBO-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO COc1cc(-c2cccc3[nH+]ccn32)cc(C)n1 ZINC001242748200 984104258 /nfs/dbraw/zinc/10/42/58/984104258.db2.gz OBHJWZUTCGITFJ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Oc1ccc(F)c(-c2cccc3[nH+]ccn32)c1 ZINC001242762771 984129331 /nfs/dbraw/zinc/12/93/31/984129331.db2.gz KKGKLURGXSEQMZ-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(OC(F)(F)F)nc1 ZINC001242778294 984161928 /nfs/dbraw/zinc/16/19/28/984161928.db2.gz BUKRHUCIGQCUIA-YALUOGEHSA-N 1 2 244.216 2.856 20 0 BFADLO CCCn1nccc1-c1ccn2cc[nH+]c2c1 ZINC001242844218 984193339 /nfs/dbraw/zinc/19/33/39/984193339.db2.gz LMEONRBEPSTHBV-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO CCCCC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001253525316 984194058 /nfs/dbraw/zinc/19/40/58/984194058.db2.gz MOKZHRCDMPBDBM-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001253525316 984194062 /nfs/dbraw/zinc/19/40/62/984194062.db2.gz MOKZHRCDMPBDBM-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO Sc1cccc(-c2cnc3c(c2)C[NH2+]CC3)c1 ZINC001242868051 984214551 /nfs/dbraw/zinc/21/45/51/984214551.db2.gz XSTGEWFEZAGNGO-UHFFFAOYSA-N 1 2 242.347 2.683 20 0 BFADLO Cc1cccc(Nc2cc(F)ncc2C)[nH+]1 ZINC001212845629 984278240 /nfs/dbraw/zinc/27/82/40/984278240.db2.gz CLHUNTXBWPKYOT-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cnc(F)cc1Nc1cccn2cc[nH+]c12 ZINC001212847580 984281352 /nfs/dbraw/zinc/28/13/52/984281352.db2.gz PPVDWEMDJMKQBG-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ccncn2)cc1 ZINC001242917762 984289535 /nfs/dbraw/zinc/28/95/35/984289535.db2.gz MOKIUJYGVJSKGL-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO Cn1c[nH+]cc1-c1cnc2ccc(F)cc2c1 ZINC001243066707 984479685 /nfs/dbraw/zinc/47/96/85/984479685.db2.gz ABMGEZGJNKKDAG-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO CC(C)[S@@](=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243067729 984482765 /nfs/dbraw/zinc/48/27/65/984482765.db2.gz OECPGYXANQQGGZ-QGZVFWFLSA-N 1 2 248.351 2.603 20 0 BFADLO COc1cccc2cc(-c3c[nH+]cn3C)cnc21 ZINC001243068420 984486483 /nfs/dbraw/zinc/48/64/83/984486483.db2.gz WOKOQHMBRMDBAL-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CCOC(=O)c1ccc(C)c(-c2c[nH+]cn2C)c1 ZINC001243069559 984487932 /nfs/dbraw/zinc/48/79/32/984487932.db2.gz HYVGURSPBFWWRQ-UHFFFAOYSA-N 1 2 244.294 2.572 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)ccc1OC(C)C ZINC001243072191 984501767 /nfs/dbraw/zinc/50/17/67/984501767.db2.gz LGFREZLGOKGFDR-UHFFFAOYSA-N 1 2 246.310 2.883 20 0 BFADLO COCc1cc(C)c(-c2c[nH+]cn2C)c(C)c1 ZINC001243071837 984503045 /nfs/dbraw/zinc/50/30/45/984503045.db2.gz HFBPZDSQNNNKCZ-UHFFFAOYSA-N 1 2 230.311 2.850 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)cc1SC ZINC001243071903 984506103 /nfs/dbraw/zinc/50/61/03/984506103.db2.gz IRAWKCNESNYUOL-UHFFFAOYSA-N 1 2 234.324 2.818 20 0 BFADLO COc1cccc(-c2ccc3[nH+]c(C)cn3c2)n1 ZINC001243094902 984520246 /nfs/dbraw/zinc/52/02/46/984520246.db2.gz HYAHBZNXWXRHOH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cc(C)cnc1F ZINC001243167548 984628627 /nfs/dbraw/zinc/62/86/27/984628627.db2.gz VARNROSGSUJYHF-UHFFFAOYSA-N 1 2 232.258 2.908 20 0 BFADLO CC(C)c1ccc(NCc2ccc[nH+]c2N)cn1 ZINC001308952020 984641774 /nfs/dbraw/zinc/64/17/74/984641774.db2.gz YCNVEJLPXADOOJ-UHFFFAOYSA-N 1 2 242.326 2.794 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1O ZINC001243227123 984733096 /nfs/dbraw/zinc/73/30/96/984733096.db2.gz IYUCEUCMQZIHLK-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO COc1cc(C)cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001243241104 984785056 /nfs/dbraw/zinc/78/50/56/984785056.db2.gz CVUMDLQPLKIUJN-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO COc1c(F)c(F)ccc1/C(C)=C/C=C/[NH3+] ZINC001243302545 984817062 /nfs/dbraw/zinc/81/70/62/984817062.db2.gz VACFLFRMGJBSEK-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO Cc1ncc(-c2cc(-n3cc[nH+]c3)ccn2)s1 ZINC001243379331 984860275 /nfs/dbraw/zinc/86/02/75/984860275.db2.gz LNRMGXWGSGQWHC-UHFFFAOYSA-N 1 2 242.307 2.699 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccc(F)c(N)c3)nc2[nH]1 ZINC001243449801 984948801 /nfs/dbraw/zinc/94/88/01/984948801.db2.gz CNYXXNYJWTVHNB-UHFFFAOYSA-N 1 2 242.257 2.606 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2ccon2)cc1 ZINC001243473956 985023740 /nfs/dbraw/zinc/02/37/40/985023740.db2.gz GHDYAPFHIPSZBC-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1[nH+]cccc1-c1cc2cc[nH]c2cc1F ZINC001243473236 985025473 /nfs/dbraw/zinc/02/54/73/985025473.db2.gz IRWNKYOPGYVARB-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-n2ccnc2)cc1 ZINC001243473649 985025566 /nfs/dbraw/zinc/02/55/66/985025566.db2.gz DONJVKJSXPDNKR-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2scnc21 ZINC001243474859 985032120 /nfs/dbraw/zinc/03/21/20/985032120.db2.gz STVCTEJRRSGMRI-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2cnsc2c1 ZINC001243477975 985043678 /nfs/dbraw/zinc/04/36/78/985043678.db2.gz VAWIWCYGKMDSPS-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cccc(O)c1F ZINC001243547975 985099044 /nfs/dbraw/zinc/09/90/44/985099044.db2.gz WYAPRHDPVUJRHY-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO CC(C)(C)n1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001243559299 985120712 /nfs/dbraw/zinc/12/07/12/985120712.db2.gz GAGKTTLSEUYSSE-UHFFFAOYSA-N 1 2 240.310 2.953 20 0 BFADLO Nc1[nH+]cccc1-c1cccnc1C1CC1 ZINC001243686373 985203859 /nfs/dbraw/zinc/20/38/59/985203859.db2.gz LUTVCFWZJVEKMM-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO CC(=O)OCc1cccc(C)c1/C(C)=C/C=C/[NH3+] ZINC001243726216 985244857 /nfs/dbraw/zinc/24/48/57/985244857.db2.gz FCJKQRKVFNMBOG-RJQVTIDESA-N 1 2 245.322 2.934 20 0 BFADLO O=c1cccc(-c2ccc(-n3cc[nH+]c3)cc2)[nH]1 ZINC001243738268 985278282 /nfs/dbraw/zinc/27/82/82/985278282.db2.gz YZASDTNFAOCPDP-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC001258076942 985379506 /nfs/dbraw/zinc/37/95/06/985379506.db2.gz TWFCRZOBEGNDPN-LBPRGKRZSA-N 1 2 239.359 2.807 20 0 BFADLO COc1cc[nH+]cc1C1=CC[C@@H](OC)CC1 ZINC001243804602 985381362 /nfs/dbraw/zinc/38/13/62/985381362.db2.gz DHDNUEQPPXZGNE-LLVKDONJSA-N 1 2 219.284 2.673 20 0 BFADLO COCOc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001243823411 985431636 /nfs/dbraw/zinc/43/16/36/985431636.db2.gz DMLFJAHXCMNQCD-JNKBEKGTSA-N 1 2 219.284 2.545 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc(CCO)cc1 ZINC001243849886 985478132 /nfs/dbraw/zinc/47/81/32/985478132.db2.gz ORFJAHRUWHERSJ-UHFFFAOYSA-N 1 2 227.307 2.900 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc2c1CCN2 ZINC001243854762 985503119 /nfs/dbraw/zinc/50/31/19/985503119.db2.gz KLTBFEPWTYUXCF-KLXHRMLDSA-N 1 2 200.285 2.530 20 0 BFADLO CN(C)c1cc(-c2cccc3c2CCN3)cc[nH+]1 ZINC001243855868 985508582 /nfs/dbraw/zinc/50/85/82/985508582.db2.gz STCYQFNVMMHPGN-UHFFFAOYSA-N 1 2 239.322 2.783 20 0 BFADLO Cc1nsc2nc(C3=C[NH2+]CCC3)ccc12 ZINC001243950211 985641517 /nfs/dbraw/zinc/64/15/17/985641517.db2.gz YIGRAAHIGDSGEK-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO Cc1c(-c2cc(F)nc(F)c2)ccc2[nH+]ccn21 ZINC001243974365 985702095 /nfs/dbraw/zinc/70/20/95/985702095.db2.gz NFAIGFNBPLLULU-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO COc1cc(O)ccc1-c1cccc2[nH+]ccn21 ZINC001243979366 985706318 /nfs/dbraw/zinc/70/63/18/985706318.db2.gz QSEKZSBWGQUZBU-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CO[C@@H]1CC=C(Nc2cccc(C)[nH+]2)CC1 ZINC001212872083 985816349 /nfs/dbraw/zinc/81/63/49/985816349.db2.gz LRUJQHQLUJYJAW-GFCCVEGCSA-N 1 2 218.300 2.885 20 0 BFADLO Fc1ncccc1C[N@@H+]1CCc2ccccc2C1 ZINC001138783667 985832542 /nfs/dbraw/zinc/83/25/42/985832542.db2.gz BWNVRYWWWGVNEY-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ncccc1C[N@H+]1CCc2ccccc2C1 ZINC001138783667 985832551 /nfs/dbraw/zinc/83/25/51/985832551.db2.gz BWNVRYWWWGVNEY-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1cncc(-c2cc[nH+]c3c2CCN3)c1C ZINC001244153644 985867878 /nfs/dbraw/zinc/86/78/78/985867878.db2.gz WKXJWGVLQWSRSQ-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO Cn1c[nH+]cc1-c1ccccc1N1CCCC1 ZINC001244180037 985879466 /nfs/dbraw/zinc/87/94/66/985879466.db2.gz SIVLUDBEFKUPSF-UHFFFAOYSA-N 1 2 227.311 2.687 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(Cl)cc1N ZINC001244199877 985887458 /nfs/dbraw/zinc/88/74/58/985887458.db2.gz LAWXNOWXNMRGKR-YALUOGEHSA-N 1 2 208.692 2.798 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2[nH]c(=O)ccc2c1 ZINC001244235303 985893697 /nfs/dbraw/zinc/89/36/97/985893697.db2.gz CGZPBLXGKMQGIA-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO COc1cccc(-c2c[nH+]cn2C)c1C1CC1 ZINC001244245634 985905127 /nfs/dbraw/zinc/90/51/27/985905127.db2.gz MQKODJCDLJQGLX-UHFFFAOYSA-N 1 2 228.295 2.973 20 0 BFADLO Nc1[nH+]cccc1-c1cnccc1C1CC1 ZINC001244281478 985919107 /nfs/dbraw/zinc/91/91/07/985919107.db2.gz SXRLQVCBQLKCNY-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(N)c(C(F)(F)F)c1 ZINC001244353934 985993971 /nfs/dbraw/zinc/99/39/71/985993971.db2.gz ZNJNWZBIPYGWSO-UHFFFAOYSA-N 1 2 241.216 2.688 20 0 BFADLO Nc1ccc(F)cc1-c1[nH+]ccc2[nH]ccc21 ZINC001244395155 986040000 /nfs/dbraw/zinc/04/00/00/986040000.db2.gz WXNIQUMFBDISTA-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CNc1cc(-c2cc(F)ccc2N)cc[nH+]1 ZINC001244400429 986057982 /nfs/dbraw/zinc/05/79/82/986057982.db2.gz JGYMQAVXAHRHSI-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO c1cc(CNc2ccc([NH+]3CCCC3)cc2)no1 ZINC000720406952 986078670 /nfs/dbraw/zinc/07/86/70/986078670.db2.gz JYBJLFKCHOFOGD-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO CN(C)c1ccc(-c2c[nH+]cn2C)cc1Cl ZINC001244412258 986086636 /nfs/dbraw/zinc/08/66/36/986086636.db2.gz SHVFXBCGPIRXAA-UHFFFAOYSA-N 1 2 235.718 2.807 20 0 BFADLO COc1ccc(C)c(F)c1-c1cc(N)cc[nH+]1 ZINC001244562412 986249511 /nfs/dbraw/zinc/24/95/11/986249511.db2.gz BUKXULIXVIVLOC-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO OCc1c(F)cccc1-c1cccc2[nH+]ccn21 ZINC001244561825 986249726 /nfs/dbraw/zinc/24/97/26/986249726.db2.gz UQQFBJQHDXEWLF-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(Cl)c(N)c(-c2ccc[nH+]c2N)c1 ZINC001244563936 986254614 /nfs/dbraw/zinc/25/46/14/986254614.db2.gz BKWSXITYPDGIQU-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO CC(=O)c1ccc(F)c(-c2cc(N)cc[nH+]2)c1F ZINC001244618299 986282936 /nfs/dbraw/zinc/28/29/36/986282936.db2.gz UKZOQMIGOFNAHE-UHFFFAOYSA-N 1 2 248.232 2.812 20 0 BFADLO CC(=O)c1cc(C(C)=CC=C[NH3+])cs1 ZINC001244627129 986287916 /nfs/dbraw/zinc/28/79/16/986287916.db2.gz UTTPBZSXRONCDW-MSLMYCKWSA-N 1 2 207.298 2.826 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1F)c1cnccn1 ZINC001462485035 986404600 /nfs/dbraw/zinc/40/46/00/986404600.db2.gz YKBLRAPXWQWIBH-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO Cc1c(O)cccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244960765 986532303 /nfs/dbraw/zinc/53/23/03/986532303.db2.gz LYQLEIYUHVOZHH-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO Cc1c(Cl)c(-c2cc[nH+]c(N)c2)ccc1CO ZINC001244968592 986544647 /nfs/dbraw/zinc/54/46/47/986544647.db2.gz VENJJFPAOWXLLV-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO CNc1cc(-c2cc3cc[nH]c3nc2C)cc[nH+]1 ZINC001244971640 986546366 /nfs/dbraw/zinc/54/63/66/986546366.db2.gz IJDHCOUGTVAHMF-UHFFFAOYSA-N 1 2 238.294 2.927 20 0 BFADLO CNc1cc(-c2cccc3c2NCC3)cc[nH+]1 ZINC001244971601 986548757 /nfs/dbraw/zinc/54/87/57/986548757.db2.gz IFMQDNNGJDPSGB-UHFFFAOYSA-N 1 2 225.295 2.758 20 0 BFADLO CNc1cc(-c2cccc3c2COCC3)cc[nH+]1 ZINC001244973390 986552061 /nfs/dbraw/zinc/55/20/61/986552061.db2.gz OMSZONGLRVTFKE-UHFFFAOYSA-N 1 2 240.306 2.863 20 0 BFADLO CNc1cc(-c2ccc3c(N)noc3c2)cc[nH+]1 ZINC001244975134 986558913 /nfs/dbraw/zinc/55/89/13/986558913.db2.gz BBYSUURABXOAMY-UHFFFAOYSA-N 1 2 240.266 2.514 20 0 BFADLO CNc1cc(-c2cc3[nH]cnc3c(F)c2)cc[nH+]1 ZINC001244977053 986564580 /nfs/dbraw/zinc/56/45/80/986564580.db2.gz PPRZFPSMMYLLLV-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO Cc1c[nH+]c(CCNc2cccc(F)n2)c(C)c1 ZINC000689437826 986610996 /nfs/dbraw/zinc/61/09/96/986610996.db2.gz DWAGVGYKQBDSBZ-UHFFFAOYSA-N 1 2 245.301 2.887 20 0 BFADLO Cc1c(C[N@H+]2C[C@H](F)C[C@H]2C)nc2ccccn12 ZINC001137267383 986705119 /nfs/dbraw/zinc/70/51/19/986705119.db2.gz YDXXHRMSMLAMQR-ZYHUDNBSSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1c(C[N@@H+]2C[C@H](F)C[C@H]2C)nc2ccccn12 ZINC001137267383 986705128 /nfs/dbraw/zinc/70/51/28/986705128.db2.gz YDXXHRMSMLAMQR-ZYHUDNBSSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1c(CN2C[C@H](F)C[C@H]2C)[nH+]c2ccccn12 ZINC001137267383 986705134 /nfs/dbraw/zinc/70/51/34/986705134.db2.gz YDXXHRMSMLAMQR-ZYHUDNBSSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1c(C[N@@H+]2CCC[C@@H]2CF)nc2ccccn12 ZINC001137277075 986711665 /nfs/dbraw/zinc/71/16/65/986711665.db2.gz NKPFJRGEKJTOJO-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1c(C[N@H+]2CCC[C@@H]2CF)nc2ccccn12 ZINC001137277075 986711674 /nfs/dbraw/zinc/71/16/74/986711674.db2.gz NKPFJRGEKJTOJO-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cc[nH]n1 ZINC001245313639 986806502 /nfs/dbraw/zinc/80/65/02/986806502.db2.gz KXHDHVNFYNMWIY-UHFFFAOYSA-N 1 2 242.326 2.770 20 0 BFADLO Cc1cccc2[nH]c(-c3c[nH+]cn3C)cc21 ZINC001245346158 986818083 /nfs/dbraw/zinc/81/80/83/986818083.db2.gz WUOTWWPBQHYRPT-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCCC23COC3)[nH]1 ZINC001137376400 986840242 /nfs/dbraw/zinc/84/02/42/986840242.db2.gz FRRACGNXSVWBRG-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCCC23COC3)[nH]1 ZINC001137376400 986840245 /nfs/dbraw/zinc/84/02/45/986840245.db2.gz FRRACGNXSVWBRG-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)ccc1N ZINC001245502081 986883792 /nfs/dbraw/zinc/88/37/92/986883792.db2.gz LHLQMDIMSLMFBN-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1ccnc(-c2c[nH+]c(N)c(C)c2)c1C ZINC001245535241 986910608 /nfs/dbraw/zinc/91/06/08/986910608.db2.gz GWYRNEIRJADQGY-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2cnc3[nH]ccc3c2C)c[nH+]c1N ZINC001245536410 986914333 /nfs/dbraw/zinc/91/43/33/986914333.db2.gz KNLCICPLQIPRCT-UHFFFAOYSA-N 1 2 238.294 2.776 20 0 BFADLO CCc1c(F)cncc1-c1c[nH+]c(N)c(C)c1 ZINC001245537266 986918972 /nfs/dbraw/zinc/91/89/72/986918972.db2.gz AERQDWOQIBYVGI-UHFFFAOYSA-N 1 2 231.274 2.736 20 0 BFADLO Cc1cc(-c2ccc3ccnnc3c2)c[nH+]c1N ZINC001245538274 986919049 /nfs/dbraw/zinc/91/90/49/986919049.db2.gz ALWASWWZMHVGBJ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cn2c(cccc2-c2c[nH+]c(N)c(C)c2)n1 ZINC001245537666 986920879 /nfs/dbraw/zinc/92/08/79/986920879.db2.gz UFVGWDYGQBODCU-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1cc(-c2cccc(N)c2C)c[nH+]c1N ZINC001245540659 986923870 /nfs/dbraw/zinc/92/38/70/986923870.db2.gz XRDYCSXFZAWAHY-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Cc1cc2c(nccc2-c2c[nH+]c(N)c(C)c2)[nH]1 ZINC001245539188 986925430 /nfs/dbraw/zinc/92/54/30/986925430.db2.gz UDTMERPGFSNCMU-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCc1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245538915 986925702 /nfs/dbraw/zinc/92/57/02/986925702.db2.gz KGFGNUNHVSCFNR-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO CSc1cccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245538771 986926453 /nfs/dbraw/zinc/92/64/53/986926453.db2.gz PKCAPJSJXYSZOH-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1cc(-c2cccc3ncn(C)c32)c[nH+]c1N ZINC001245541750 986932572 /nfs/dbraw/zinc/93/25/72/986932572.db2.gz YEIHPMMLAFCPLQ-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Nc1ncc(-c2cccc3[nH+]ccn32)cc1Cl ZINC001245565656 986962581 /nfs/dbraw/zinc/96/25/81/986962581.db2.gz HRWIAQOQVWXPMM-UHFFFAOYSA-N 1 2 244.685 2.632 20 0 BFADLO Cc1ccc2[nH]c(-c3c[nH+]cn3C)cc2c1 ZINC001245570776 986968475 /nfs/dbraw/zinc/96/84/75/986968475.db2.gz LSNORCQOOOLZEW-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cc1nc(Cl)ccc1-c1ccc[nH+]c1N ZINC001245774296 987085078 /nfs/dbraw/zinc/08/50/78/987085078.db2.gz UKNMVNWOEZCBSI-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO CCc1cc(N2CCC[C@@H](C)C2)nc(CC)[nH+]1 ZINC001472641265 987264647 /nfs/dbraw/zinc/26/46/47/987264647.db2.gz DXBGFYJBAAIOPE-LLVKDONJSA-N 1 2 233.359 2.838 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C)nc(C2CCC2)[nH+]1 ZINC001472848092 987291922 /nfs/dbraw/zinc/29/19/22/987291922.db2.gz WGZSQRNVKZKXDU-LDYMZIIASA-N 1 2 217.316 2.873 20 0 BFADLO Clc1cnc(C[N@@H+]2CCCC3(CC3)C2)cn1 ZINC000695131681 987328743 /nfs/dbraw/zinc/32/87/43/987328743.db2.gz AVUUFEYNFIAJGS-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO Clc1cnc(C[N@H+]2CCCC3(CC3)C2)cn1 ZINC000695131681 987328749 /nfs/dbraw/zinc/32/87/49/987328749.db2.gz AVUUFEYNFIAJGS-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c(C)o1 ZINC000783673615 987350560 /nfs/dbraw/zinc/35/05/60/987350560.db2.gz QGQLWEFXGLUTMA-CYBMUJFWSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c(C)o1 ZINC000783673615 987350568 /nfs/dbraw/zinc/35/05/68/987350568.db2.gz QGQLWEFXGLUTMA-CYBMUJFWSA-N 1 2 245.326 2.957 20 0 BFADLO CCC(CC)N(C(=O)[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001115978936 987425548 /nfs/dbraw/zinc/42/55/48/987425548.db2.gz IASKGPSGBJNHSP-NSHDSACASA-N 1 2 249.358 2.624 20 0 BFADLO CCC1(CC)CCC([NH2+]Cc2ncn[nH]2)CC1 ZINC001474306274 987682189 /nfs/dbraw/zinc/68/21/89/987682189.db2.gz JKOVCNDFWLHPIT-UHFFFAOYSA-N 1 2 236.363 2.643 20 0 BFADLO CC(C)CC1(c2nnc(C[NH+](C)C)o2)CCC1 ZINC001117229085 987804973 /nfs/dbraw/zinc/80/49/73/987804973.db2.gz NDHQPIHGQVLZLD-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CCCCC[C@H](CCC)N[C@H]1C[NH2+]CC1(F)F ZINC001246458632 987815966 /nfs/dbraw/zinc/81/59/66/987815966.db2.gz HMXTVAWMMLMXQY-RYUDHWBXSA-N 1 2 248.361 2.932 20 0 BFADLO CCCC[C@@H](CCC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246462185 987822476 /nfs/dbraw/zinc/82/24/76/987822476.db2.gz QYNFGSJJQAAAIX-GHMZBOCLSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC(CCCC)N[C@H]1C[NH2+]CC1(F)F ZINC001246467714 987826294 /nfs/dbraw/zinc/82/62/94/987826294.db2.gz ZOQHMUPOMAAWCH-LBPRGKRZSA-N 1 2 248.361 2.932 20 0 BFADLO Cc1cccc(C[N@@H+](C)CC(=O)OC(C)C)c1C ZINC001117720478 987878416 /nfs/dbraw/zinc/87/84/16/987878416.db2.gz RIRKJJVHLPLGGX-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1cccc(C[N@H+](C)CC(=O)OC(C)C)c1C ZINC001117720478 987878422 /nfs/dbraw/zinc/87/84/22/987878422.db2.gz RIRKJJVHLPLGGX-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC001322090010 988107763 /nfs/dbraw/zinc/10/77/63/988107763.db2.gz RJPBUDBNLZVVTQ-QWHCGFSZSA-N 1 2 231.343 2.802 20 0 BFADLO C[C@H](CC1CCCC1)c1nnc(C[NH+](C)C)o1 ZINC001322400574 988247566 /nfs/dbraw/zinc/24/75/66/988247566.db2.gz UGYOTUCSHQLUNO-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO CCCCC[C@@H](C)Cc1nnc(C[NH+](C)C)o1 ZINC001322983385 988423541 /nfs/dbraw/zinc/42/35/41/988423541.db2.gz IXCLIURDCWJXIM-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO CCOc1nnc(C[N@H+](CC)C(C)(C)C)s1 ZINC001324399966 988830070 /nfs/dbraw/zinc/83/00/70/988830070.db2.gz NABQWFUVUXUYPX-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO CCOc1nnc(C[N@@H+](CC)C(C)(C)C)s1 ZINC001324399966 988830077 /nfs/dbraw/zinc/83/00/77/988830077.db2.gz NABQWFUVUXUYPX-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO Cc1cccc2[nH+]c(CCCCO)n(C3CC3)c21 ZINC001247045018 988848358 /nfs/dbraw/zinc/84/83/58/988848358.db2.gz VTJYVQTXOZBLAR-UHFFFAOYSA-N 1 2 244.338 2.995 20 0 BFADLO CCC[NH+](CCC)Cn1nc(CC)oc1=S ZINC001119324707 988945030 /nfs/dbraw/zinc/94/50/30/988945030.db2.gz IMPROPICUQGDEB-UHFFFAOYSA-N 1 2 243.376 2.847 20 0 BFADLO CCc1ccc(N(C)Cc2cccc(C)n2)[nH+]c1 ZINC001515806712 989120244 /nfs/dbraw/zinc/12/02/44/989120244.db2.gz XBAYJRMLTMXPIL-UHFFFAOYSA-N 1 2 241.338 2.984 20 0 BFADLO c1cn2ccc(Nc3cc4cccnc4[nH]3)cc2[nH+]1 ZINC001248711574 989133124 /nfs/dbraw/zinc/13/31/24/989133124.db2.gz XRDIDMGOAGWUMQ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO C[N@H+](Cc1ncc(C(F)(F)F)cc1F)C1CC1 ZINC001248786858 989145872 /nfs/dbraw/zinc/14/58/72/989145872.db2.gz HPABTQNJKAOGCP-UHFFFAOYSA-N 1 2 248.223 2.834 20 0 BFADLO C[N@@H+](Cc1ncc(C(F)(F)F)cc1F)C1CC1 ZINC001248786858 989145877 /nfs/dbraw/zinc/14/58/77/989145877.db2.gz HPABTQNJKAOGCP-UHFFFAOYSA-N 1 2 248.223 2.834 20 0 BFADLO CCOC1C[NH+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248814890 989171347 /nfs/dbraw/zinc/17/13/47/989171347.db2.gz DQSQOCSXEHCZEA-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO C[N@H+](Cc1cncs1)Cc1ccc2n1CCC2 ZINC001248825212 989190434 /nfs/dbraw/zinc/19/04/34/989190434.db2.gz VEIUYBOKNJAQGF-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO C[N@@H+](Cc1cncs1)Cc1ccc2n1CCC2 ZINC001248825212 989190437 /nfs/dbraw/zinc/19/04/37/989190437.db2.gz VEIUYBOKNJAQGF-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CCC1(C)CC1 ZINC001518384386 989301182 /nfs/dbraw/zinc/30/11/82/989301182.db2.gz PLEPBNFRLNFYIH-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO CCCC1CC[NH+](Cc2nncs2)CC1 ZINC001119686107 989334839 /nfs/dbraw/zinc/33/48/39/989334839.db2.gz VSZKYFPIARCKJS-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[NH+](C)Cc1nnc([C@H]2CCCCC2(C)C)o1 ZINC001326107332 989376232 /nfs/dbraw/zinc/37/62/32/989376232.db2.gz QZEBIRVGZPCZRA-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO CC[NH2+]Cc1noc([C@@H](C)c2cccc(C)c2)n1 ZINC001326200495 989419512 /nfs/dbraw/zinc/41/95/12/989419512.db2.gz BSPXDRKAGFPIMK-NSHDSACASA-N 1 2 245.326 2.639 20 0 BFADLO Clc1cscc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001326229702 989436263 /nfs/dbraw/zinc/43/62/63/989436263.db2.gz OQIOYWHBQNVZEL-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Clc1cscc1C[N@H+]1CC[C@@]12CCOC2 ZINC001326229702 989436270 /nfs/dbraw/zinc/43/62/70/989436270.db2.gz OQIOYWHBQNVZEL-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2)C[C@@H]1F ZINC001120038847 989571793 /nfs/dbraw/zinc/57/17/93/989571793.db2.gz ZGBQZXBOXBUOMH-SKDRFNHKSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(F)c2)C[C@@H]1F ZINC001120038847 989571804 /nfs/dbraw/zinc/57/18/04/989571804.db2.gz ZGBQZXBOXBUOMH-SKDRFNHKSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001326630610 989636144 /nfs/dbraw/zinc/63/61/44/989636144.db2.gz BKVDQKAJLIVTJI-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO CC[C@]1(C)CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001120839645 989913670 /nfs/dbraw/zinc/91/36/70/989913670.db2.gz VEGKTBNERWTLNN-CYBMUJFWSA-N 1 2 238.306 2.534 20 0 BFADLO CC[C@@]1(C)CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001120839647 989916276 /nfs/dbraw/zinc/91/62/76/989916276.db2.gz VEGKTBNERWTLNN-ZDUSSCGKSA-N 1 2 238.306 2.534 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC001120881650 989944055 /nfs/dbraw/zinc/94/40/55/989944055.db2.gz OKQFRFVXWQBPJW-PHIMTYICSA-N 1 2 220.291 2.765 20 0 BFADLO CCc1ccc(N[C@H](C)Cc2cc(C)[nH]n2)[nH+]c1 ZINC001120911504 989963998 /nfs/dbraw/zinc/96/39/98/989963998.db2.gz USZNRWRYTXYXID-SNVBAGLBSA-N 1 2 244.342 2.719 20 0 BFADLO CCc1ccc(N[C@H](C)Cc2cc(C)n[nH]2)[nH+]c1 ZINC001120911504 989964006 /nfs/dbraw/zinc/96/40/06/989964006.db2.gz USZNRWRYTXYXID-SNVBAGLBSA-N 1 2 244.342 2.719 20 0 BFADLO CCc1ccc(N2CCC[C@H](OC)CC2)[nH+]c1 ZINC001120920552 989967391 /nfs/dbraw/zinc/96/73/91/989967391.db2.gz HCFCUFSSTPHGIJ-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO CCc1ccc(N2CC[C@]3(C2)CCCOC3)[nH+]c1 ZINC001120933522 989976541 /nfs/dbraw/zinc/97/65/41/989976541.db2.gz SGJHFQYSSYEEOL-HNNXBMFYSA-N 1 2 246.354 2.651 20 0 BFADLO Nc1cc(N2CCCC[C@H]2CC2CCC2)[nH+]cn1 ZINC001120948699 989981792 /nfs/dbraw/zinc/98/17/92/989981792.db2.gz AUJQRNXMSWBFSW-LBPRGKRZSA-N 1 2 246.358 2.608 20 0 BFADLO CCC(CC)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001121141011 990021897 /nfs/dbraw/zinc/02/18/97/990021897.db2.gz WVQGNGXKLJQCOF-UHFFFAOYSA-N 1 2 234.343 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC001121138950 990022836 /nfs/dbraw/zinc/02/28/36/990022836.db2.gz GEENATYEICSHDU-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001121231200 990054125 /nfs/dbraw/zinc/05/41/25/990054125.db2.gz JKTVCWGAROYXAE-SKDRFNHKSA-N 1 2 234.343 2.741 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CC=CCC1 ZINC001121230865 990055232 /nfs/dbraw/zinc/05/52/32/990055232.db2.gz DEYXXVCRPFYXTH-CYBMUJFWSA-N 1 2 244.338 2.805 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001527012324 990198743 /nfs/dbraw/zinc/19/87/43/990198743.db2.gz SGFNLAWYYWZHOZ-GHMZBOCLSA-N 1 2 238.331 2.628 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C(C)(C)C(C)C ZINC001527011840 990199173 /nfs/dbraw/zinc/19/91/73/990199173.db2.gz MDEBPNGCHHAVSH-UHFFFAOYSA-N 1 2 238.331 2.628 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1=CC[C@H](C)CC1 ZINC001527011511 990200965 /nfs/dbraw/zinc/20/09/65/990200965.db2.gz DYHIRKJDGZQIDO-NSHDSACASA-N 1 2 248.326 2.693 20 0 BFADLO CCn1c[nH+]cc1COC(=O)c1ccccc1C ZINC001527008854 990200982 /nfs/dbraw/zinc/20/09/82/990200982.db2.gz ZUUNWNBTHPIQLK-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO CC/C=C(\C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123153964 990519031 /nfs/dbraw/zinc/51/90/31/990519031.db2.gz KTMVFKILIWTVCR-IZZDOVSWSA-N 1 2 236.315 2.518 20 0 BFADLO CC[C@@H](C)CCC(=O)OCc1c[nH+]cn1CC ZINC001123474420 990590613 /nfs/dbraw/zinc/59/06/13/990590613.db2.gz ZFFVSNCNLCRYAD-LLVKDONJSA-N 1 2 238.331 2.773 20 0 BFADLO Fc1cc(F)c(F)c(C[NH+]2CC3CC(C3)C2)c1 ZINC001137875472 990865325 /nfs/dbraw/zinc/86/53/25/990865325.db2.gz XQXKTGVLKMXNGT-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO C[N@H+](Cc1c(F)ccc(F)c1F)C1CC1 ZINC001137925826 990870152 /nfs/dbraw/zinc/87/01/52/990870152.db2.gz YKNOOCFLIGFLPV-UHFFFAOYSA-N 1 2 215.218 2.698 20 0 BFADLO C[N@@H+](Cc1c(F)ccc(F)c1F)C1CC1 ZINC001137925826 990870153 /nfs/dbraw/zinc/87/01/53/990870153.db2.gz YKNOOCFLIGFLPV-UHFFFAOYSA-N 1 2 215.218 2.698 20 0 BFADLO CCCOC1C[NH+](Cc2cccc(OCC)c2)C1 ZINC001138100583 990882535 /nfs/dbraw/zinc/88/25/35/990882535.db2.gz ZKCUHNQMPQFNNJ-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001138370339 990924150 /nfs/dbraw/zinc/92/41/50/990924150.db2.gz CUEWONDUOQGOCY-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001138370339 990924152 /nfs/dbraw/zinc/92/41/52/990924152.db2.gz CUEWONDUOQGOCY-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO COc1c(F)cc(C[NH+]2CC(C)(C)C2)cc1F ZINC001138420934 990943506 /nfs/dbraw/zinc/94/35/06/990943506.db2.gz VCYMYNDPFKZGJY-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCOc1ccc(C[NH+]2CCC(=O)CC2)c(C)c1 ZINC001138430778 990946548 /nfs/dbraw/zinc/94/65/48/990946548.db2.gz IKKSCZAHXFGCAA-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCCc1ccc(C[N@@H+]2CCC23COC3)s1 ZINC001138525471 990970135 /nfs/dbraw/zinc/97/01/35/990970135.db2.gz CMWZZIWIHZTRSF-UHFFFAOYSA-N 1 2 237.368 2.675 20 0 BFADLO CCCc1ccc(C[N@H+]2CCC23COC3)s1 ZINC001138525471 990970141 /nfs/dbraw/zinc/97/01/41/990970141.db2.gz CMWZZIWIHZTRSF-UHFFFAOYSA-N 1 2 237.368 2.675 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258084927 990987904 /nfs/dbraw/zinc/98/79/04/990987904.db2.gz CZBYQBPVAJEGQO-NEPJUHHUSA-N 1 2 247.329 2.823 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258084927 990987916 /nfs/dbraw/zinc/98/79/16/990987916.db2.gz CZBYQBPVAJEGQO-NEPJUHHUSA-N 1 2 247.329 2.823 20 0 BFADLO CCc1cc(N2CCC[C@@H]2CC)nc(CC)[nH+]1 ZINC001559107363 991033981 /nfs/dbraw/zinc/03/39/81/991033981.db2.gz YNIVIGORMHJBRS-LBPRGKRZSA-N 1 2 233.359 2.980 20 0 BFADLO C[N@H+](Cc1ccccc1)Cc1cccnc1F ZINC001138783689 991045103 /nfs/dbraw/zinc/04/51/03/991045103.db2.gz CJOSTBUGNNNOKP-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO C[N@@H+](Cc1ccccc1)Cc1cccnc1F ZINC001138783689 991045111 /nfs/dbraw/zinc/04/51/11/991045111.db2.gz CJOSTBUGNNNOKP-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO C[C@@H]1CC([N@@H+]2CCOCC(F)(F)C2)C[C@@H](C)C1 ZINC001258163943 991055058 /nfs/dbraw/zinc/05/50/58/991055058.db2.gz ODRNZTUCUMRMNW-QWRGUYRKSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@@H]1CC([N@H+]2CCOCC(F)(F)C2)C[C@@H](C)C1 ZINC001258163943 991055065 /nfs/dbraw/zinc/05/50/65/991055065.db2.gz ODRNZTUCUMRMNW-QWRGUYRKSA-N 1 2 247.329 2.779 20 0 BFADLO COc1nsc(C[N@H+](C)C2CCC2)c1Cl ZINC001308605285 991056903 /nfs/dbraw/zinc/05/69/03/991056903.db2.gz KPDFXQQYTOVTKJ-UHFFFAOYSA-N 1 2 246.763 2.789 20 0 BFADLO COc1nsc(C[N@@H+](C)C2CCC2)c1Cl ZINC001308605285 991056910 /nfs/dbraw/zinc/05/69/10/991056910.db2.gz KPDFXQQYTOVTKJ-UHFFFAOYSA-N 1 2 246.763 2.789 20 0 BFADLO C[NH+](C)Cc1cc(Br)cnc1Cl ZINC001138942303 991109382 /nfs/dbraw/zinc/10/93/82/991109382.db2.gz XIOCRJDCIJHYNU-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO O=C1CC[N@H+](C2CCCCCCC2)C[C@H]1F ZINC001258239670 991188697 /nfs/dbraw/zinc/18/86/97/991188697.db2.gz BOMUYAAFNRIKGN-GFCCVEGCSA-N 1 2 227.323 2.712 20 0 BFADLO O=C1CC[N@@H+](C2CCCCCCC2)C[C@H]1F ZINC001258239670 991188712 /nfs/dbraw/zinc/18/87/12/991188712.db2.gz BOMUYAAFNRIKGN-GFCCVEGCSA-N 1 2 227.323 2.712 20 0 BFADLO CCNc1ccccc1C[NH+]1CC(OC(C)C)C1 ZINC001308924471 991218996 /nfs/dbraw/zinc/21/89/96/991218996.db2.gz HYFFSJMZKQYBQH-UHFFFAOYSA-N 1 2 248.370 2.728 20 0 BFADLO CC(C)(C)c1coc(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC001559718177 991222980 /nfs/dbraw/zinc/22/29/80/991222980.db2.gz KBPSDPZMQIWKIL-ZJUUUORDSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1coc(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC001559718177 991222987 /nfs/dbraw/zinc/22/29/87/991222987.db2.gz KBPSDPZMQIWKIL-ZJUUUORDSA-N 1 2 220.316 2.566 20 0 BFADLO FC1(F)CCC[N@H+](CCCC2CC2)C1 ZINC001559968551 991348743 /nfs/dbraw/zinc/34/87/43/991348743.db2.gz DYTIBMRASUEKBV-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO FC1(F)CCC[N@@H+](CCCC2CC2)C1 ZINC001559968551 991348755 /nfs/dbraw/zinc/34/87/55/991348755.db2.gz DYTIBMRASUEKBV-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO FC(F)c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001139798923 991371551 /nfs/dbraw/zinc/37/15/51/991371551.db2.gz HNGRHXQLWJSYEI-QWRGUYRKSA-N 1 2 239.265 2.597 20 0 BFADLO FC(F)c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001139798923 991371559 /nfs/dbraw/zinc/37/15/59/991371559.db2.gz HNGRHXQLWJSYEI-QWRGUYRKSA-N 1 2 239.265 2.597 20 0 BFADLO COC1(C)C[NH+](Cc2ccccc2C(F)F)C1 ZINC001139795199 991371575 /nfs/dbraw/zinc/37/15/75/991371575.db2.gz CCBJFYRNLIZTQD-UHFFFAOYSA-N 1 2 241.281 2.845 20 0 BFADLO Cc1cnc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)s1 ZINC001139808782 991378503 /nfs/dbraw/zinc/37/85/03/991378503.db2.gz GCZZPIATFAFUCQ-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc(C[N@H+]2C[C@@H](C)C[C@H]2CF)s1 ZINC001139808782 991378508 /nfs/dbraw/zinc/37/85/08/991378508.db2.gz GCZZPIATFAFUCQ-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccnc(F)c2)cn1 ZINC001139835840 991396982 /nfs/dbraw/zinc/39/69/82/991396982.db2.gz PFJQWAZIJSLPJP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccnc(F)c2)cn1 ZINC001139835840 991396987 /nfs/dbraw/zinc/39/69/87/991396987.db2.gz PFJQWAZIJSLPJP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)nc1 ZINC001139839605 991398272 /nfs/dbraw/zinc/39/82/72/991398272.db2.gz KELFFEWKSRVLLS-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)nc1 ZINC001139839605 991398280 /nfs/dbraw/zinc/39/82/80/991398280.db2.gz KELFFEWKSRVLLS-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(CCC[N@H+]2CC(=O)CC[C@H]2C)cc1 ZINC001560196523 991409865 /nfs/dbraw/zinc/40/98/65/991409865.db2.gz KMOGXNKSRLZFJF-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CCC[N@@H+]2CC(=O)CC[C@H]2C)cc1 ZINC001560196523 991409869 /nfs/dbraw/zinc/40/98/69/991409869.db2.gz KMOGXNKSRLZFJF-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO CC1(F)C[NH+](C2CCN(c3ccccc3)CC2)C1 ZINC001258510409 991475728 /nfs/dbraw/zinc/47/57/28/991475728.db2.gz GQDVSOOAXRGLFW-UHFFFAOYSA-N 1 2 248.345 2.699 20 0 BFADLO C(c1nnc(C[NH+]2CCCCC2)o1)C1CCCC1 ZINC001258594490 991492570 /nfs/dbraw/zinc/49/25/70/991492570.db2.gz NKKQAPGFJGBWTD-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(O)cc1Cl ZINC001140081467 991513709 /nfs/dbraw/zinc/51/37/09/991513709.db2.gz QWBXYPPWGBQMHB-SCZZXKLOSA-N 1 2 243.709 2.978 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(O)cc1Cl ZINC001140081467 991513719 /nfs/dbraw/zinc/51/37/19/991513719.db2.gz QWBXYPPWGBQMHB-SCZZXKLOSA-N 1 2 243.709 2.978 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(O)cc1Cl ZINC001140081466 991515968 /nfs/dbraw/zinc/51/59/68/991515968.db2.gz QWBXYPPWGBQMHB-PSASIEDQSA-N 1 2 243.709 2.978 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(O)cc1Cl ZINC001140081466 991515984 /nfs/dbraw/zinc/51/59/84/991515984.db2.gz QWBXYPPWGBQMHB-PSASIEDQSA-N 1 2 243.709 2.978 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(C)c(OC)c2)C1 ZINC001140159650 991546648 /nfs/dbraw/zinc/54/66/48/991546648.db2.gz QFLNWAJZTBQMFN-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1ccc2c(c1)N(Cc1ccc[nH+]c1N)CC2 ZINC001560743463 991582824 /nfs/dbraw/zinc/58/28/24/991582824.db2.gz RHKVDEDYBHHNMK-UHFFFAOYSA-N 1 2 239.322 2.535 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC001560830846 991614529 /nfs/dbraw/zinc/61/45/29/991614529.db2.gz AHMBVILFOSAKBY-RYUDHWBXSA-N 1 2 244.342 2.710 20 0 BFADLO Cc1ccc(Cl)nc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001140440584 991637502 /nfs/dbraw/zinc/63/75/02/991637502.db2.gz AKZLGXKDPGCIBC-ZJUUUORDSA-N 1 2 242.725 2.976 20 0 BFADLO Cc1ccc(Cl)nc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001140440584 991637507 /nfs/dbraw/zinc/63/75/07/991637507.db2.gz AKZLGXKDPGCIBC-ZJUUUORDSA-N 1 2 242.725 2.976 20 0 BFADLO CC[N@H+](CCOC)Cc1c(F)cc(F)cc1F ZINC001140529903 991661389 /nfs/dbraw/zinc/66/13/89/991661389.db2.gz XRDFTIKRQMPWMQ-UHFFFAOYSA-N 1 2 247.260 2.572 20 0 BFADLO CC[N@@H+](CCOC)Cc1c(F)cc(F)cc1F ZINC001140529903 991661396 /nfs/dbraw/zinc/66/13/96/991661396.db2.gz XRDFTIKRQMPWMQ-UHFFFAOYSA-N 1 2 247.260 2.572 20 0 BFADLO C[C@@H](Cc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001258744514 991694517 /nfs/dbraw/zinc/69/45/17/991694517.db2.gz DCROLBRBPOHDNY-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318706678 991701934 /nfs/dbraw/zinc/70/19/34/991701934.db2.gz AFSAYRWLHHHCDR-QWHCGFSZSA-N 1 2 249.358 2.625 20 0 BFADLO CC[C@H](Cc1ccccc1)[NH+]1CC(F)C1 ZINC001258844365 991874869 /nfs/dbraw/zinc/87/48/69/991874869.db2.gz MZRACUHQKFSIJM-CYBMUJFWSA-N 1 2 207.292 2.661 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC001319907840 992027815 /nfs/dbraw/zinc/02/78/15/992027815.db2.gz VKANVAITLTUYMS-SECBINFHSA-N 1 2 230.315 2.903 20 0 BFADLO CCC[C@H](C)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001320197846 992129821 /nfs/dbraw/zinc/12/98/21/992129821.db2.gz FRICDEKTXMQUPE-UWVGGRQHSA-N 1 2 234.303 2.779 20 0 BFADLO Cc1ccsc1C[NH2+]C1(c2nc(C)no2)CC1 ZINC001262378050 992868342 /nfs/dbraw/zinc/86/83/42/992868342.db2.gz PYLCRFCLEJUNRU-UHFFFAOYSA-N 1 2 249.339 2.527 20 0 BFADLO CC(C)(C)[N@@H+](Cc1cn[nH]n1)CC1CCCC1 ZINC001575274630 993003340 /nfs/dbraw/zinc/00/33/40/993003340.db2.gz CXBOSKDKXISEBH-UHFFFAOYSA-N 1 2 236.363 2.595 20 0 BFADLO CC(C)(C)[N@H+](Cc1cn[nH]n1)CC1CCCC1 ZINC001575274630 993003347 /nfs/dbraw/zinc/00/33/47/993003347.db2.gz CXBOSKDKXISEBH-UHFFFAOYSA-N 1 2 236.363 2.595 20 0 BFADLO CCCCC[C@H]1CCCN1c1cc(N)nc[nH+]1 ZINC001262687269 993025924 /nfs/dbraw/zinc/02/59/24/993025924.db2.gz JPSFWEGEEOEMHT-NSHDSACASA-N 1 2 234.347 2.608 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C1CC2(CCC2)C1 ZINC001262805625 993068376 /nfs/dbraw/zinc/06/83/76/993068376.db2.gz XKGPTGLZEXIIDC-UHFFFAOYSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@@H]2C)cs1 ZINC000381640038 993412317 /nfs/dbraw/zinc/41/23/17/993412317.db2.gz WVKZSAQFJZRKIB-VIFPVBQESA-N 1 2 223.341 2.610 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@@H]2C)cs1 ZINC000381640038 993412322 /nfs/dbraw/zinc/41/23/22/993412322.db2.gz WVKZSAQFJZRKIB-VIFPVBQESA-N 1 2 223.341 2.610 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C/C1CCCC1 ZINC001263663070 993454593 /nfs/dbraw/zinc/45/45/93/993454593.db2.gz TWRLOJRCLARDGO-BQYQJAHWSA-N 1 2 248.326 2.693 20 0 BFADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccoc1 ZINC001263666611 993456701 /nfs/dbraw/zinc/45/67/01/993456701.db2.gz QYTQKGAPNCOLPL-WDEREUQCSA-N 1 2 248.282 2.732 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)c(N)c1 ZINC000387162241 993701299 /nfs/dbraw/zinc/70/12/99/993701299.db2.gz DVBFSIQVQITOAC-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO CCC[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001336702924 995084581 /nfs/dbraw/zinc/08/45/81/995084581.db2.gz IIPIHNAVTMLTAQ-STQMWFEESA-N 1 2 249.358 2.625 20 0 BFADLO C[C@@H]([NH2+]Cc1c(F)cncc1F)c1cccnc1 ZINC001307641197 995421049 /nfs/dbraw/zinc/42/10/49/995421049.db2.gz UZFVHHZNIUOTNW-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cc1cc(Cl)ccc1CNc1c[nH]c[nH+]1 ZINC000309052861 349437606 /nfs/dbraw/zinc/43/76/06/349437606.db2.gz RWTZVDZDMSQRKN-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C(F)F ZINC000389951321 398151083 /nfs/dbraw/zinc/15/10/83/398151083.db2.gz SUZIJBCJYXDEQZ-PSASIEDQSA-N 1 2 226.270 2.702 20 0 BFADLO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(F)F)CC2 ZINC000389945145 398154035 /nfs/dbraw/zinc/15/40/35/398154035.db2.gz SSKXIYSLPSAPHR-UFBFGSQYSA-N 1 2 241.281 2.926 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cccc(O)c2)no1 ZINC000044692341 178038360 /nfs/dbraw/zinc/03/83/60/178038360.db2.gz QSUFJXDQACIMFC-SNVBAGLBSA-N 1 2 232.283 2.539 20 0 BFADLO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1cscn1 ZINC000424204866 398174675 /nfs/dbraw/zinc/17/46/75/398174675.db2.gz VRBUMSBKZNZVNM-STQMWFEESA-N 1 2 248.326 2.870 20 0 BFADLO CCCc1csc(C[NH+]2CC3(CC3)C2)n1 ZINC000519684491 398176315 /nfs/dbraw/zinc/17/63/15/398176315.db2.gz SCHVGIWPZPOGRR-UHFFFAOYSA-N 1 2 222.357 2.691 20 0 BFADLO Cc1cc(Cn2c[nH+]c3cc(C)c(C)cc32)on1 ZINC000031078952 178074188 /nfs/dbraw/zinc/07/41/88/178074188.db2.gz SLKIKMUGAWLPCE-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO COC1(CNc2cc3cc[nH]c3c[nH+]2)CCCC1 ZINC000649375417 398186993 /nfs/dbraw/zinc/18/69/93/398186993.db2.gz NIVKFBSTZOORKG-UHFFFAOYSA-N 1 2 245.326 2.934 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(F)cc2C)n1C ZINC000341149842 178090253 /nfs/dbraw/zinc/09/02/53/178090253.db2.gz OKRDAGFWPQFJSU-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCOC1 ZINC000070464076 178096132 /nfs/dbraw/zinc/09/61/32/178096132.db2.gz QGROTHUQZKUILJ-LBPRGKRZSA-N 1 2 234.343 2.652 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)[C@H]1CCOC1 ZINC000164937814 178097753 /nfs/dbraw/zinc/09/77/53/178097753.db2.gz RKCIWIVFVKNSKT-OLZOCXBDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000164937814 178097755 /nfs/dbraw/zinc/09/77/55/178097755.db2.gz RKCIWIVFVKNSKT-OLZOCXBDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000334289702 398195934 /nfs/dbraw/zinc/19/59/34/398195934.db2.gz LHGSXRYBFPWJIP-UWVGGRQHSA-N 1 2 233.315 2.713 20 0 BFADLO Cc1cc(N)nc(SCc2ccc(F)cc2)[nH+]1 ZINC000029913905 178109176 /nfs/dbraw/zinc/10/91/76/178109176.db2.gz DYOXAQJHWIEXKK-UHFFFAOYSA-N 1 2 249.314 2.799 20 0 BFADLO Cc1cc(N)nc(SCCC(C)C)[nH+]1 ZINC000106004080 178109946 /nfs/dbraw/zinc/10/99/46/178109946.db2.gz WMICYMOQBHKHTE-UHFFFAOYSA-N 1 2 211.334 2.505 20 0 BFADLO Cc1cc(N)nc(SCC2CCCC2)[nH+]1 ZINC000106901711 178110327 /nfs/dbraw/zinc/11/03/27/178110327.db2.gz DZINOLPTPWBLTA-UHFFFAOYSA-N 1 2 223.345 2.650 20 0 BFADLO Cc1cc(N2CCCCC[C@@H]2C)nc[nH+]1 ZINC000301252142 178112002 /nfs/dbraw/zinc/11/20/02/178112002.db2.gz DMRXBUSGYDWCIB-NSHDSACASA-N 1 2 205.305 2.554 20 0 BFADLO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)nc[nH+]1 ZINC000336539074 178117528 /nfs/dbraw/zinc/11/75/28/178117528.db2.gz MFPXZURHDWYQJL-DTWKUNHWSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1cc(N2CC[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000374323856 178117889 /nfs/dbraw/zinc/11/78/89/178117889.db2.gz JXBYDQNWFPAJNV-CYBMUJFWSA-N 1 2 243.354 2.899 20 0 BFADLO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H]2C)nc[nH+]1 ZINC000336539076 178118561 /nfs/dbraw/zinc/11/85/61/178118561.db2.gz MFPXZURHDWYQJL-RKDXNWHRSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1cc(N2CC[C@H](CC(F)(F)F)C2)nc[nH+]1 ZINC000336418741 178119022 /nfs/dbraw/zinc/11/90/22/178119022.db2.gz JXZBCFCDUGIBPV-SECBINFHSA-N 1 2 245.248 2.564 20 0 BFADLO Cc1cc(N2C[C@@H](C)CCC[C@H]2C)nc[nH+]1 ZINC000301412417 178120795 /nfs/dbraw/zinc/12/07/95/178120795.db2.gz KVHJSHXWFDDEFJ-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO C(c1nnc(C2CC2)s1)[NH+]1CCC2(CC2)CC1 ZINC000649400150 398202209 /nfs/dbraw/zinc/20/22/09/398202209.db2.gz YINZYIOOHHFBDQ-UHFFFAOYSA-N 1 2 249.383 2.792 20 0 BFADLO Cc1cc(N2C[C@@H](C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000354352579 178120906 /nfs/dbraw/zinc/12/09/06/178120906.db2.gz ILLOYQAKTSOEGX-GXSJLCMTSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301597692 178122266 /nfs/dbraw/zinc/12/22/66/178122266.db2.gz XBRJMKHBRYNFEO-UPJWGTAASA-N 1 2 231.343 2.942 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301597689 178122593 /nfs/dbraw/zinc/12/25/93/178122593.db2.gz XBRJMKHBRYNFEO-AGIUHOORSA-N 1 2 231.343 2.942 20 0 BFADLO Cc1cc(NC(=O)CC[C@@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000175085979 178128119 /nfs/dbraw/zinc/12/81/19/178128119.db2.gz GLDFMSXIFGGOHV-YPMHNXCESA-N 1 2 248.326 2.676 20 0 BFADLO Cc1cc(NC(=O)N2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119306099 178136858 /nfs/dbraw/zinc/13/68/58/178136858.db2.gz JLNCPDMYVLQPGA-SNVBAGLBSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000119700708 178137091 /nfs/dbraw/zinc/13/70/91/178137091.db2.gz RVQNLDGVNFWLRI-GXSJLCMTSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339183195 187328062 /nfs/dbraw/zinc/32/80/62/187328062.db2.gz ZAHNUXPLLBITSE-UHFFFAOYSA-N 1 2 249.745 2.970 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)CC(C)C)cc[nH+]1 ZINC000119308814 178141941 /nfs/dbraw/zinc/14/19/41/178141941.db2.gz KXDWKHVTXTTYMW-LLVKDONJSA-N 1 2 235.331 2.946 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C)cc[nH+]1 ZINC000283803879 178143960 /nfs/dbraw/zinc/14/39/60/178143960.db2.gz BJEUAUKAKLDBBI-ZWNOBZJWSA-N 1 2 230.311 2.931 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@H]2C(C)C)cc[nH+]1 ZINC000186025351 178149236 /nfs/dbraw/zinc/14/92/36/178149236.db2.gz KFKXRPUZQVUWII-RYUDHWBXSA-N 1 2 218.300 2.621 20 0 BFADLO Cc1cc(NC2(C)Cc3ccccc3C2)nc[nH+]1 ZINC000301917943 178153252 /nfs/dbraw/zinc/15/32/52/178153252.db2.gz HUQANXMCWDYWJR-UHFFFAOYSA-N 1 2 239.322 2.754 20 0 BFADLO Cc1cc(NC2CCC2)nc(C(C)C)[nH+]1 ZINC000052211522 178154241 /nfs/dbraw/zinc/15/42/41/178154241.db2.gz YPIFYEWBOSVEIK-UHFFFAOYSA-N 1 2 205.305 2.873 20 0 BFADLO Cc1cc(NC2CCC(O)CC2)nc(C(C)C)[nH+]1 ZINC000035121297 178155453 /nfs/dbraw/zinc/15/54/53/178155453.db2.gz HIAONUMOKZQMIU-UHFFFAOYSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(NCC2(c3ccccc3)CC2)nc[nH+]1 ZINC000301248983 178157171 /nfs/dbraw/zinc/15/71/71/178157171.db2.gz PEGKOCRXODPMGN-UHFFFAOYSA-N 1 2 239.322 2.929 20 0 BFADLO Cc1cc(NCC2=CCCOC2)ccc1[NH+](C)C ZINC000120183041 178157231 /nfs/dbraw/zinc/15/72/31/178157231.db2.gz GQYNPYDRGAWSGQ-UHFFFAOYSA-N 1 2 246.354 2.820 20 0 BFADLO C[C@@H](CC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000112695815 398211971 /nfs/dbraw/zinc/21/19/71/398211971.db2.gz JCMVFOVZRGXPQO-VIFPVBQESA-N 1 2 217.316 2.955 20 0 BFADLO Cc1cc(NCCSCC(C)C)nc[nH+]1 ZINC000308984685 178161737 /nfs/dbraw/zinc/16/17/37/178161737.db2.gz JEZQHJSXZRISRN-UHFFFAOYSA-N 1 2 225.361 2.586 20 0 BFADLO Cc1cc(NCCc2ccc[nH]2)nc(C(C)C)[nH+]1 ZINC000302042151 178162822 /nfs/dbraw/zinc/16/28/22/178162822.db2.gz LSDUZPQMXXEBJK-UHFFFAOYSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1cc(NCc2ccccc2F)nc[nH+]1 ZINC000040727087 178173754 /nfs/dbraw/zinc/17/37/54/178173754.db2.gz WYDXNEBYOPGGJM-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1cc(NCc2cccnc2)nc(C(C)C)[nH+]1 ZINC000035121246 178174376 /nfs/dbraw/zinc/17/43/76/178174376.db2.gz YQZLSAWUMTTYAY-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO Cc1cc(NCc2cccnc2)nc(C2CC2)[nH+]1 ZINC000264693835 178174586 /nfs/dbraw/zinc/17/45/86/178174586.db2.gz ZZSDPZYLKPCGPK-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO Cc1cc(N[C@@H](C)Cc2cccs2)nc[nH+]1 ZINC000070852114 178178515 /nfs/dbraw/zinc/17/85/15/178178515.db2.gz VTNKHNSXBZXXKY-JTQLQIEISA-N 1 2 233.340 2.890 20 0 BFADLO Cc1cc(N[C@@H]2CC3CCC2CC3)nc[nH+]1 ZINC000309842377 178180040 /nfs/dbraw/zinc/18/00/40/178180040.db2.gz DYUVGKXWUMJPJN-HTAVTVPLSA-N 1 2 217.316 2.776 20 0 BFADLO Cc1cc(N[C@H]2CC23CCCC3)nc[nH+]1 ZINC000309141322 178188688 /nfs/dbraw/zinc/18/86/88/178188688.db2.gz HEUDSLGQKMBLEB-JTQLQIEISA-N 1 2 203.289 2.530 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000271377727 178182375 /nfs/dbraw/zinc/18/23/75/178182375.db2.gz JQHPVRHDTNRVHJ-ZYHUDNBSSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(N[C@@H]2CSC2(C)C)nc(C2CC2)[nH+]1 ZINC000276435744 178183484 /nfs/dbraw/zinc/18/34/84/178183484.db2.gz KBMAPVSJSWVPML-SNVBAGLBSA-N 1 2 249.383 2.968 20 0 BFADLO Cc1cc(N[C@H](C)CCCCO)nc(C2CC2)[nH+]1 ZINC000296207323 178185420 /nfs/dbraw/zinc/18/54/20/178185420.db2.gz FVCGMFVVISMURQ-SNVBAGLBSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc(N[C@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000302053184 178186768 /nfs/dbraw/zinc/18/67/68/178186768.db2.gz PGVONRKMDCRZNH-JTQLQIEISA-N 1 2 235.331 2.543 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)ccc1[NH+](C)C ZINC000195083293 178190571 /nfs/dbraw/zinc/19/05/71/178190571.db2.gz AXFOMDXKOUDZTL-JSGCOSHPSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc([NH2+][C@H]2CCOC[C@@H]2C)ccc1N(C)C ZINC000195083293 178190574 /nfs/dbraw/zinc/19/05/74/178190574.db2.gz AXFOMDXKOUDZTL-JSGCOSHPSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(Nc2ccc([NH+](C)C)cc2C)ncn1 ZINC000301227882 178191817 /nfs/dbraw/zinc/19/18/17/178191817.db2.gz HFBKIOWIZQALRB-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C(C)(C)C ZINC000334169794 136223669 /nfs/dbraw/zinc/22/36/69/136223669.db2.gz BBQWBWZTHHRRJK-UHFFFAOYSA-N 1 2 234.343 2.823 20 0 BFADLO Cc1cc(OCc2c[nH+]cn2C)ccc1Cl ZINC000267798128 178213041 /nfs/dbraw/zinc/21/30/41/178213041.db2.gz PIRATRGRYQGHKE-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO C[C@@]1(F)CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000334184172 136224056 /nfs/dbraw/zinc/22/40/56/136224056.db2.gz FTOSPSRPVWYRNW-DGCLKSJQSA-N 1 2 236.290 2.697 20 0 BFADLO C[C@@]1(F)CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000334184172 136224057 /nfs/dbraw/zinc/22/40/57/136224057.db2.gz FTOSPSRPVWYRNW-DGCLKSJQSA-N 1 2 236.290 2.697 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000334233224 136224410 /nfs/dbraw/zinc/22/44/10/136224410.db2.gz NZXREZPKKQWHRZ-VHSXEESVSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1[C@H]1C=CCCC1 ZINC000334233224 136224411 /nfs/dbraw/zinc/22/44/11/136224411.db2.gz NZXREZPKKQWHRZ-VHSXEESVSA-N 1 2 201.260 2.825 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2F)nn1C ZINC000282311723 178229904 /nfs/dbraw/zinc/22/99/04/178229904.db2.gz TVYTUYDCKLPBFU-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)no1 ZINC000337234367 178231123 /nfs/dbraw/zinc/23/11/23/178231123.db2.gz AJPKLWWXPXGFMG-VHSXEESVSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nnc(C)o2)c(C)o1 ZINC000183794399 178231671 /nfs/dbraw/zinc/23/16/71/178231671.db2.gz DKEULDAVHOJSGE-BDAKNGLRSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccncc2F)no1 ZINC000340384416 178232828 /nfs/dbraw/zinc/23/28/28/178232828.db2.gz OHYVTXUGNZIUCJ-NXEZZACHSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccn2C)no1 ZINC000371396394 178240804 /nfs/dbraw/zinc/24/08/04/178240804.db2.gz PJBRUUHTVVVDLW-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccn2C)no1 ZINC000371396394 178240805 /nfs/dbraw/zinc/24/08/05/178240805.db2.gz PJBRUUHTVVVDLW-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000279095046 538935648 /nfs/dbraw/zinc/93/56/48/538935648.db2.gz URIUXXGJLWJNLI-JTQLQIEISA-N 1 2 201.273 2.891 20 0 BFADLO Cc1cccc(CCNc2nc(C(C)C)no2)[nH+]1 ZINC000280508427 538937920 /nfs/dbraw/zinc/93/79/20/538937920.db2.gz PUZXSWGXUOXSSK-UHFFFAOYSA-N 1 2 246.314 2.551 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccn2)no1 ZINC000371557720 178265759 /nfs/dbraw/zinc/26/57/59/178265759.db2.gz GNCAYSFFVZUSGB-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccn2)no1 ZINC000371557720 178265761 /nfs/dbraw/zinc/26/57/61/178265761.db2.gz GNCAYSFFVZUSGB-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000645398432 398241502 /nfs/dbraw/zinc/24/15/02/398241502.db2.gz QXICFUIYPRGOEL-GMTAPVOTSA-N 1 2 242.326 2.867 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC(C)(C)CO ZINC000124284383 178298767 /nfs/dbraw/zinc/29/87/67/178298767.db2.gz VNRFJEUCDFGGNB-UHFFFAOYSA-N 1 2 244.338 2.974 20 0 BFADLO COc1cc(N[C@@H](C)c2[nH]cc[nH+]2)cc(OC)c1 ZINC000285956941 538942804 /nfs/dbraw/zinc/94/28/04/538942804.db2.gz FGIQEEPUOPDKHT-VIFPVBQESA-N 1 2 247.298 2.600 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)C(F)F)cs1 ZINC000381328243 398252326 /nfs/dbraw/zinc/25/23/26/398252326.db2.gz YGMXVYQLSGFXEN-ZETCQYMHSA-N 1 2 205.273 2.800 20 0 BFADLO COc1ccncc1C[NH+]1Cc2ccccc2C1 ZINC000287316304 538944586 /nfs/dbraw/zinc/94/45/86/538944586.db2.gz NILBUNXLBLDCQC-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC1CC1 ZINC000287572183 538944791 /nfs/dbraw/zinc/94/47/91/538944791.db2.gz QHYJLHIFBRCOLA-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO CCC(CC)N(CC)c1cc(C)[nH+]cn1 ZINC000341055133 168371485 /nfs/dbraw/zinc/37/14/85/168371485.db2.gz RNIQHWMDYLHCIQ-UHFFFAOYSA-N 1 2 207.321 2.800 20 0 BFADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(F)F)C12CCC2 ZINC000177672834 538952008 /nfs/dbraw/zinc/95/20/08/538952008.db2.gz SYWMQSLRZFYKBW-NXEZZACHSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(F)F)C12CCC2 ZINC000177672834 538952010 /nfs/dbraw/zinc/95/20/10/538952010.db2.gz SYWMQSLRZFYKBW-NXEZZACHSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000602553044 349594487 /nfs/dbraw/zinc/59/44/87/349594487.db2.gz HTWLAEIZRRTPEQ-NOZJJQNGSA-N 1 2 243.310 2.716 20 0 BFADLO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(F)F)c1 ZINC000037900816 538964153 /nfs/dbraw/zinc/96/41/53/538964153.db2.gz DCMIOGBDXAOLIV-MRVPVSSYSA-N 1 2 242.269 2.561 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2CCC2(C)C)cc(C)[nH+]1 ZINC000616363545 342721584 /nfs/dbraw/zinc/72/15/84/342721584.db2.gz XZQUQKZYTQBGEQ-CYBMUJFWSA-N 1 2 246.354 2.751 20 0 BFADLO CCOc1ccc(-c2cccc(N)[nH+]2)cc1 ZINC000038068978 538964480 /nfs/dbraw/zinc/96/44/80/538964480.db2.gz AYYTVPYDBCKKTR-UHFFFAOYSA-N 1 2 214.268 2.730 20 0 BFADLO CCCc1ccc(C[NH2+]C(C)(C)C(=O)OC)cc1 ZINC000083381255 398280729 /nfs/dbraw/zinc/28/07/29/398280729.db2.gz VSLLOKXDTIZMTQ-UHFFFAOYSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2C/C=C/Cl)no1 ZINC000045003826 342770417 /nfs/dbraw/zinc/77/04/17/342770417.db2.gz BDUWKZDLPMTKHX-TZNOJPMFSA-N 1 2 226.707 2.872 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2C/C=C/Cl)no1 ZINC000045003826 342770418 /nfs/dbraw/zinc/77/04/18/342770418.db2.gz BDUWKZDLPMTKHX-TZNOJPMFSA-N 1 2 226.707 2.872 20 0 BFADLO CCc1cc(N[C@H](C)[C@H](C)CC)nc[nH+]1 ZINC000042556925 342777672 /nfs/dbraw/zinc/77/76/72/342777672.db2.gz YOXCJQJUUDSBPF-NXEZZACHSA-N 1 2 207.321 2.886 20 0 BFADLO CCc1cc(NCc2ccc(Cl)o2)nc[nH+]1 ZINC000309679403 342784629 /nfs/dbraw/zinc/78/46/29/342784629.db2.gz ZBVDDEWQRMPNQG-UHFFFAOYSA-N 1 2 237.690 2.898 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000335517684 398290318 /nfs/dbraw/zinc/29/03/18/398290318.db2.gz ZGXBEJIGXSTSKT-NEPJUHHUSA-N 1 2 230.311 2.683 20 0 BFADLO CCCNc1[nH+]ccc(C)c1Br ZINC000233203207 342811475 /nfs/dbraw/zinc/81/14/75/342811475.db2.gz QLWZZOPBZWFVTO-UHFFFAOYSA-N 1 2 229.121 2.974 20 0 BFADLO Cc1ccc(-c2c[nH+]c3n2CCCC3)o1 ZINC000630051425 361914519 /nfs/dbraw/zinc/91/45/19/361914519.db2.gz MOUSUEITAFBXQO-UHFFFAOYSA-N 1 2 202.257 2.788 20 0 BFADLO c1cc(-c2c[nH+]c3n2CCCC3)cs1 ZINC000630050935 361914610 /nfs/dbraw/zinc/91/46/10/361914610.db2.gz XULKEEXSSSKVAP-UHFFFAOYSA-N 1 2 204.298 2.948 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)o1 ZINC000602572597 349622410 /nfs/dbraw/zinc/62/24/10/349622410.db2.gz QJOKMVBTYPIOAC-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1coc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053721 361923371 /nfs/dbraw/zinc/92/33/71/361923371.db2.gz TVOSZMWLGPPYJG-UHFFFAOYSA-N 1 2 202.257 2.788 20 0 BFADLO Cc1[nH+]cc(-c2cccc3c2OCCCO3)n1C ZINC000630053602 361923725 /nfs/dbraw/zinc/92/37/25/361923725.db2.gz RNRRUHTVBWLWJX-UHFFFAOYSA-N 1 2 244.294 2.557 20 0 BFADLO C/C=C\C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000624779462 342828422 /nfs/dbraw/zinc/82/84/22/342828422.db2.gz RWJQDESKDKOCGL-DHCBQETCSA-N 1 2 231.343 2.968 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cncs1 ZINC000380064384 538983975 /nfs/dbraw/zinc/98/39/75/538983975.db2.gz BRRAZAGAENCOEB-CBAPKCEASA-N 1 2 232.299 2.982 20 0 BFADLO COc1cccc(C2([NH2+]CC(F)F)CC2)c1 ZINC000381485290 539002263 /nfs/dbraw/zinc/00/22/63/539002263.db2.gz HWCXXPIXHZPWOK-UHFFFAOYSA-N 1 2 227.254 2.539 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC000634423160 361948205 /nfs/dbraw/zinc/94/82/05/361948205.db2.gz CYKWODDFEBSMGV-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC000634423160 361948212 /nfs/dbraw/zinc/94/82/12/361948212.db2.gz CYKWODDFEBSMGV-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000389926535 539018830 /nfs/dbraw/zinc/01/88/30/539018830.db2.gz WSGKVLNKIFJJHO-SNVBAGLBSA-N 1 2 215.243 2.865 20 0 BFADLO Cc1cc(CNc2c[nH]c[nH+]2)ccc1Cl ZINC000389978571 539019168 /nfs/dbraw/zinc/01/91/68/539019168.db2.gz HECNIKROTGIGCV-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO CC(C)Oc1cc[nH+]c(CN(C)CC(F)F)c1 ZINC000649508798 398301548 /nfs/dbraw/zinc/30/15/48/398301548.db2.gz FYFVFEVDAKEPGM-UHFFFAOYSA-N 1 2 244.285 2.566 20 0 BFADLO CCO[C@H](C[N@H+](CC(F)F)C1CC1)C1CC1 ZINC000625156732 342896721 /nfs/dbraw/zinc/89/67/21/342896721.db2.gz WILAASASTHGTKZ-LLVKDONJSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@H](C[N@@H+](CC(F)F)C1CC1)C1CC1 ZINC000625156732 342896723 /nfs/dbraw/zinc/89/67/23/342896723.db2.gz WILAASASTHGTKZ-LLVKDONJSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2[C@H](C)C2(F)F)c(C)[nH+]1 ZINC000336474935 398319349 /nfs/dbraw/zinc/31/93/49/398319349.db2.gz MLIPMMKOJDCLCS-XVKPBYJWSA-N 1 2 240.253 2.538 20 0 BFADLO CC[C@@H](C)CSCc1ccc[nH+]c1N ZINC000233842549 342889426 /nfs/dbraw/zinc/88/94/26/342889426.db2.gz NZUIUBRAYKRWFW-SECBINFHSA-N 1 2 210.346 2.943 20 0 BFADLO Clc1cccc2[nH]c(NCc3ccco3)[nH+]c21 ZINC000351567541 136246947 /nfs/dbraw/zinc/24/69/47/136246947.db2.gz KFNNLDNUJUDLDG-UHFFFAOYSA-N 1 2 247.685 2.843 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCO2)C1CC1 ZINC000037103857 342919965 /nfs/dbraw/zinc/91/99/65/342919965.db2.gz XEFVLXNOKRSBFC-VIFPVBQESA-N 1 2 203.285 2.832 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625225066 342921070 /nfs/dbraw/zinc/92/10/70/342921070.db2.gz VICWPLPLYFKIPI-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625225066 342921071 /nfs/dbraw/zinc/92/10/71/342921071.db2.gz VICWPLPLYFKIPI-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO COC[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354880077 398331205 /nfs/dbraw/zinc/33/12/05/398331205.db2.gz ONXWDAMPYUBZCO-SECBINFHSA-N 1 2 234.274 2.821 20 0 BFADLO Clc1ccc(C[NH2+]Cc2ccco2)o1 ZINC000037486950 342938392 /nfs/dbraw/zinc/93/83/92/342938392.db2.gz SCNZPJFYYSFMBK-UHFFFAOYSA-N 1 2 211.648 2.816 20 0 BFADLO Cc1cc(C[N@H+](Cc2cccnc2)C(C)C)no1 ZINC000162368375 349671676 /nfs/dbraw/zinc/67/16/76/349671676.db2.gz DPYSFMLCWHGLTG-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cc(C[N@@H+](Cc2cccnc2)C(C)C)no1 ZINC000162368375 349671679 /nfs/dbraw/zinc/67/16/79/349671679.db2.gz DPYSFMLCWHGLTG-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO CCN(C#N)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC000602768157 349724436 /nfs/dbraw/zinc/72/44/36/349724436.db2.gz WOLBQADQDJZEFT-GFCCVEGCSA-N 1 2 249.333 2.621 20 0 BFADLO CCN(C#N)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000602768157 349724439 /nfs/dbraw/zinc/72/44/39/349724439.db2.gz WOLBQADQDJZEFT-GFCCVEGCSA-N 1 2 249.333 2.621 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccccn2)cs1 ZINC000020253184 342978394 /nfs/dbraw/zinc/97/83/94/342978394.db2.gz BOUIJVKZHAOSJL-SECBINFHSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccccc2F)cs1 ZINC000020253049 342978472 /nfs/dbraw/zinc/97/84/72/342978472.db2.gz XQCZHWQYXPVOPL-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CCc1ccccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493069825 529588140 /nfs/dbraw/zinc/58/81/40/529588140.db2.gz JHEVKKBESQLBKL-FPLPWBNLSA-N 1 2 241.294 2.624 20 0 BFADLO C[NH2+]Cc1noc([C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000335905692 136260710 /nfs/dbraw/zinc/26/07/10/136260710.db2.gz UCCIIDHMDDFFQW-ZJUUUORDSA-N 1 2 237.347 2.719 20 0 BFADLO CC(C)([NH2+]Cc1ncccn1)c1ccccc1 ZINC000305822356 187225622 /nfs/dbraw/zinc/22/56/22/187225622.db2.gz YRTFGMCMBQWDJV-UHFFFAOYSA-N 1 2 227.311 2.502 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cn[nH]c2C)cc1 ZINC000505610654 529635122 /nfs/dbraw/zinc/63/51/22/529635122.db2.gz OODQLWNZVRHAQK-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cn[nH]c2C)cc1 ZINC000505610654 529635125 /nfs/dbraw/zinc/63/51/25/529635125.db2.gz OODQLWNZVRHAQK-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO Cc1nc(C[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)co1 ZINC000625654148 344026983 /nfs/dbraw/zinc/02/69/83/344026983.db2.gz XOUZXFGCIAOHOL-RKDXNWHRSA-N 1 2 244.285 2.706 20 0 BFADLO Cc1nc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)co1 ZINC000625654141 344027064 /nfs/dbraw/zinc/02/70/64/344027064.db2.gz XOUZXFGCIAOHOL-DTORHVGOSA-N 1 2 244.285 2.706 20 0 BFADLO Cc1nc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)co1 ZINC000625654141 344027067 /nfs/dbraw/zinc/02/70/67/344027067.db2.gz XOUZXFGCIAOHOL-DTORHVGOSA-N 1 2 244.285 2.706 20 0 BFADLO Cc1cc(CNC(=O)CCC2CCC2)cc(C)[nH+]1 ZINC000421576821 192354990 /nfs/dbraw/zinc/35/49/90/192354990.db2.gz NNZUIGJBQDLKEF-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO Cc1cc(CNC(=O)[C@@H](C)C(C)C)cc(C)[nH+]1 ZINC000421575421 192355084 /nfs/dbraw/zinc/35/50/84/192355084.db2.gz KDXBRTSOFYZKOP-LBPRGKRZSA-N 1 2 234.343 2.607 20 0 BFADLO Cc1ccc([C@H](O)CNc2cccc[nH+]2)cc1 ZINC000039111074 343157712 /nfs/dbraw/zinc/15/77/12/343157712.db2.gz BKHXDQCCIYQMIK-CYBMUJFWSA-N 1 2 228.295 2.536 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(F)(F)F ZINC000634683162 343197902 /nfs/dbraw/zinc/19/79/02/343197902.db2.gz LORBXHZFNYWBIH-BDAKNGLRSA-N 1 2 239.281 2.875 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000147734887 343198259 /nfs/dbraw/zinc/19/82/59/343198259.db2.gz JNEDTVVVLPXPPS-UHFFFAOYSA-N 1 2 210.227 2.523 20 0 BFADLO Cc1ccncc1C[NH2+][C@@H](C)c1cscn1 ZINC000167240356 343209253 /nfs/dbraw/zinc/20/92/53/343209253.db2.gz UHTCBAMZZDTJJD-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)cc1F ZINC000051920909 343278716 /nfs/dbraw/zinc/27/87/16/343278716.db2.gz KTOZWHOXDAHRNU-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO Cc1ccc(NCc2[nH+]ccn2C)c(C)c1 ZINC000036804444 343324854 /nfs/dbraw/zinc/32/48/54/343324854.db2.gz AJWLQTPKWSYBKZ-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO c1cc(N2CCCC2)[nH+]cc1NCC1CC1 ZINC000036982258 187259543 /nfs/dbraw/zinc/25/95/43/187259543.db2.gz APWNWICKHVJRBH-UHFFFAOYSA-N 1 2 217.316 2.504 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C3(C)CC3)cc2[nH+]1 ZINC000348938520 136309560 /nfs/dbraw/zinc/30/95/60/136309560.db2.gz CUYJVUMAZLWFOE-UHFFFAOYSA-N 1 2 229.283 2.610 20 0 BFADLO CC(C)c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014044 343412431 /nfs/dbraw/zinc/41/24/31/343412431.db2.gz WQTMYBHMSYDKGP-UHFFFAOYSA-N 1 2 229.327 2.823 20 0 BFADLO Cc1cn2cc(NC(=O)CC(C)C)ccc2[nH+]1 ZINC000041304946 343418951 /nfs/dbraw/zinc/41/89/51/343418951.db2.gz MCUNJPDQGVJYII-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO Cc1cc(CNC(=O)CCC(C)C)cc(C)[nH+]1 ZINC000421558098 192361223 /nfs/dbraw/zinc/36/12/23/192361223.db2.gz MIQSAUMDCXHZMK-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000335834563 136353209 /nfs/dbraw/zinc/35/32/09/136353209.db2.gz OFRWWAALDBTSBE-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCCCC3)n2)C1 ZINC000335834563 136353210 /nfs/dbraw/zinc/35/32/10/136353210.db2.gz OFRWWAALDBTSBE-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)no1 ZINC000335732822 136349600 /nfs/dbraw/zinc/34/96/00/136349600.db2.gz YZJYQILKVHZIOO-BXUZGUMPSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)no1 ZINC000335732822 136349601 /nfs/dbraw/zinc/34/96/01/136349601.db2.gz YZJYQILKVHZIOO-BXUZGUMPSA-N 1 2 249.358 2.644 20 0 BFADLO COc1cc(C[NH+]2Cc3ccccc3C2)ccn1 ZINC000335896982 136359170 /nfs/dbraw/zinc/35/91/70/136359170.db2.gz SFFKEHAHFLUPFM-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1cccc(F)c1F ZINC000350348907 136360350 /nfs/dbraw/zinc/36/03/50/136360350.db2.gz BAYZGKNQXKOFCK-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1cccc(F)c1F ZINC000350348907 136360351 /nfs/dbraw/zinc/36/03/51/136360351.db2.gz BAYZGKNQXKOFCK-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000350519387 136361814 /nfs/dbraw/zinc/36/18/14/136361814.db2.gz YXTLYISQAXABAH-DYEKYZERSA-N 1 2 235.375 2.519 20 0 BFADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000351103840 136368091 /nfs/dbraw/zinc/36/80/91/136368091.db2.gz RTUOUZDSIXRWKY-AWEZNQCLSA-N 1 2 237.318 2.683 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000351103840 136368092 /nfs/dbraw/zinc/36/80/92/136368092.db2.gz RTUOUZDSIXRWKY-AWEZNQCLSA-N 1 2 237.318 2.683 20 0 BFADLO C[N@@H+](Cc1cccc2[nH]ccc21)CC(F)F ZINC000092509243 136376492 /nfs/dbraw/zinc/37/64/92/136376492.db2.gz WHOSHFYFLBSDGF-UHFFFAOYSA-N 1 2 224.254 2.865 20 0 BFADLO C[N@H+](Cc1cccc2[nH]ccc21)CC(F)F ZINC000092509243 136376493 /nfs/dbraw/zinc/37/64/93/136376493.db2.gz WHOSHFYFLBSDGF-UHFFFAOYSA-N 1 2 224.254 2.865 20 0 BFADLO COC(=O)C(C)(C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043533727 343477067 /nfs/dbraw/zinc/47/70/67/343477067.db2.gz POUJIDHQKNCSHT-GFCCVEGCSA-N 1 2 249.354 2.721 20 0 BFADLO COc1ccc[nH+]c1NC1CC(C)(C)C1 ZINC000308947911 346943393 /nfs/dbraw/zinc/94/33/93/346943393.db2.gz OGIWXFXJVIUJEJ-UHFFFAOYSA-N 1 2 206.289 2.691 20 0 BFADLO CC[N@H+](Cc1noc(-c2ccccc2)n1)C1CC1 ZINC000046059088 343538458 /nfs/dbraw/zinc/53/84/58/343538458.db2.gz NFBCXXXGPQTSIQ-UHFFFAOYSA-N 1 2 243.310 2.721 20 0 BFADLO CC[N@@H+](Cc1noc(-c2ccccc2)n1)C1CC1 ZINC000046059088 343538459 /nfs/dbraw/zinc/53/84/59/343538459.db2.gz NFBCXXXGPQTSIQ-UHFFFAOYSA-N 1 2 243.310 2.721 20 0 BFADLO CCC(CC)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000279897117 187342150 /nfs/dbraw/zinc/34/21/50/187342150.db2.gz USEPZNWVWYFLTM-LLVKDONJSA-N 1 2 237.347 2.659 20 0 BFADLO c1ccc(N[C@@H](C2CC2)C2CCOCC2)[nH+]c1 ZINC000651404117 537786204 /nfs/dbraw/zinc/78/62/04/537786204.db2.gz KJBSWMZQSXKGMO-AWEZNQCLSA-N 1 2 232.327 2.699 20 0 BFADLO c1ccc(N[C@H](C2CC2)C2CCOCC2)[nH+]c1 ZINC000651404118 537786383 /nfs/dbraw/zinc/78/63/83/537786383.db2.gz KJBSWMZQSXKGMO-CQSZACIVSA-N 1 2 232.327 2.699 20 0 BFADLO CC[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085652503 343602979 /nfs/dbraw/zinc/60/29/79/343602979.db2.gz LPTVZDYCZWNQJL-SECBINFHSA-N 1 2 201.273 2.840 20 0 BFADLO CC1(C)SC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000282803023 187344159 /nfs/dbraw/zinc/34/41/59/187344159.db2.gz IKQWAIUTMMZAPS-LBPRGKRZSA-N 1 2 245.351 2.936 20 0 BFADLO CC(C)([NH2+]Cc1cc(C#N)cs1)C(F)F ZINC000380089519 343678088 /nfs/dbraw/zinc/67/80/88/343678088.db2.gz ILBCYVWTGHKAFP-UHFFFAOYSA-N 1 2 230.283 2.753 20 0 BFADLO CC(C)(O)CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292855509 187349202 /nfs/dbraw/zinc/34/92/02/187349202.db2.gz VXRXXXBLWDVGOS-NSHDSACASA-N 1 2 243.297 2.743 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1C(C)(C)C1(F)F ZINC000624407478 343757505 /nfs/dbraw/zinc/75/75/05/343757505.db2.gz FKGNUZDFVZLWJU-VIFPVBQESA-N 1 2 242.269 2.793 20 0 BFADLO Cc1ccc(N[C@@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000336732181 537832840 /nfs/dbraw/zinc/83/28/40/537832840.db2.gz LJBRCDSWUWIZLI-CHWSQXEVSA-N 1 2 202.301 2.991 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccno1 ZINC000624491873 343909855 /nfs/dbraw/zinc/90/98/55/343909855.db2.gz KOGYDYBLTWGCCF-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccno1 ZINC000624491873 343909858 /nfs/dbraw/zinc/90/98/58/343909858.db2.gz KOGYDYBLTWGCCF-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)[nH]c1C ZINC000628117509 343966216 /nfs/dbraw/zinc/96/62/16/343966216.db2.gz LTGYPIIYPULDAH-CYBMUJFWSA-N 1 2 244.342 2.692 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)[nH]c1C ZINC000628117509 343966219 /nfs/dbraw/zinc/96/62/19/343966219.db2.gz LTGYPIIYPULDAH-CYBMUJFWSA-N 1 2 244.342 2.692 20 0 BFADLO Cc1[nH]c(CN2CCC[C@@H]2c2ccc[nH]2)[nH+]c1C ZINC000628117509 343966221 /nfs/dbraw/zinc/96/62/21/343966221.db2.gz LTGYPIIYPULDAH-CYBMUJFWSA-N 1 2 244.342 2.692 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccc(F)cc2)[nH+]c1C ZINC000628119854 343968089 /nfs/dbraw/zinc/96/80/89/343968089.db2.gz NCSHZIHDMBKNBE-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1ccc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)o1 ZINC000628119636 343968219 /nfs/dbraw/zinc/96/82/19/343968219.db2.gz DEFHBJLGSVMESM-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1ccncc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726821 344058542 /nfs/dbraw/zinc/05/85/42/344058542.db2.gz DWSRPXCFAKKARD-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ccncc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726821 344058544 /nfs/dbraw/zinc/05/85/44/344058544.db2.gz DWSRPXCFAKKARD-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ccnc(C[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625727803 344059318 /nfs/dbraw/zinc/05/93/18/344059318.db2.gz MIEYXNJFDTXVPJ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ccnc(C[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625727803 344059319 /nfs/dbraw/zinc/05/93/19/344059319.db2.gz MIEYXNJFDTXVPJ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO OCc1cc[nH+]c(NC2CCCCCC2)c1 ZINC000641252834 362331514 /nfs/dbraw/zinc/33/15/14/362331514.db2.gz SXUNGNUEVNXOOJ-UHFFFAOYSA-N 1 2 220.316 2.709 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000641258742 362335668 /nfs/dbraw/zinc/33/56/68/362335668.db2.gz VKTYOODNGVNVBP-MRVPVSSYSA-N 1 2 248.223 2.999 20 0 BFADLO C[C@@H](CNc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000641260203 362336295 /nfs/dbraw/zinc/33/62/95/362336295.db2.gz MVCNCSNKWISKNW-LBPRGKRZSA-N 1 2 242.322 2.790 20 0 BFADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)c(C)c1 ZINC000641300208 362351467 /nfs/dbraw/zinc/35/14/67/362351467.db2.gz XQYCWTCAAVPFGM-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@@H](C)c2ccco2)o1 ZINC000628132256 344166345 /nfs/dbraw/zinc/16/63/45/344166345.db2.gz ASGKEGMEDPGYFN-VIFPVBQESA-N 1 2 220.272 2.769 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@@H](C)c2ccco2)o1 ZINC000628132256 344166346 /nfs/dbraw/zinc/16/63/46/344166346.db2.gz ASGKEGMEDPGYFN-VIFPVBQESA-N 1 2 220.272 2.769 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2)[nH]c1C ZINC000628131689 344158898 /nfs/dbraw/zinc/15/88/98/344158898.db2.gz GLJUMUXMFBJQAN-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2)[nH]c1C ZINC000628131689 344158899 /nfs/dbraw/zinc/15/88/99/344158899.db2.gz GLJUMUXMFBJQAN-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]c(CN(C)Cc2cccc(C)c2)[nH+]c1C ZINC000628131689 344158901 /nfs/dbraw/zinc/15/89/01/344158901.db2.gz GLJUMUXMFBJQAN-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(CN(Cc2ccc(C)o2)C2CC2)[nH+]1 ZINC000628130792 344160538 /nfs/dbraw/zinc/16/05/38/344160538.db2.gz KCXWGXQVHCMHLZ-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO CC(C)CN(C)c1cc[nH+]c2ccncc21 ZINC000085659243 344207748 /nfs/dbraw/zinc/20/77/48/344207748.db2.gz QIVSZTYKDAVDQQ-UHFFFAOYSA-N 1 2 215.300 2.722 20 0 BFADLO Cc1cc(N[C@@H]2CCCC23CC3)nc[nH+]1 ZINC000631417932 344193851 /nfs/dbraw/zinc/19/38/51/344193851.db2.gz DOCRPFCAHRVCKO-SNVBAGLBSA-N 1 2 203.289 2.530 20 0 BFADLO CC(C)c1cc(N[C@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000090139324 344266740 /nfs/dbraw/zinc/26/67/40/344266740.db2.gz AORGKHMHBNCSAD-NSHDSACASA-N 1 2 249.358 2.924 20 0 BFADLO Cc1cc2[nH+]cn(Cc3ccno3)c2cc1C ZINC000067768717 349907652 /nfs/dbraw/zinc/90/76/52/349907652.db2.gz ACEDVDKIDBOKRV-UHFFFAOYSA-N 1 2 227.267 2.689 20 0 BFADLO COc1cc[nH+]cc1CSC[C@@H]1C[C@H]1C ZINC000600631053 344345981 /nfs/dbraw/zinc/34/59/81/344345981.db2.gz BDDUPQREDJCWQQ-ZJUUUORDSA-N 1 2 223.341 2.979 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC2(CC2)C1 ZINC000622866383 344435241 /nfs/dbraw/zinc/43/52/41/344435241.db2.gz CGIBLMWLMFTXRB-UHFFFAOYSA-N 1 2 230.311 2.827 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC000641401136 362395492 /nfs/dbraw/zinc/39/54/92/362395492.db2.gz XISNRJRVYFYRIM-BFHYXJOUSA-N 1 2 246.354 2.955 20 0 BFADLO CCCCO[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107287887 344481368 /nfs/dbraw/zinc/48/13/68/344481368.db2.gz XFOOOJZXIRMRCM-LLVKDONJSA-N 1 2 236.315 2.534 20 0 BFADLO COc1ccc(SCc2cn(C)c[nH+]2)cc1 ZINC000641420699 362406734 /nfs/dbraw/zinc/40/67/34/362406734.db2.gz DJOYODBSFRBTBS-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1 ZINC000641405119 362397355 /nfs/dbraw/zinc/39/73/55/362397355.db2.gz ZOGTWNUVXDSMND-IUCAKERBSA-N 1 2 226.320 2.551 20 0 BFADLO CC(C)n1ccnc1SCc1ccc[nH+]c1N ZINC000641437718 362419093 /nfs/dbraw/zinc/41/90/93/362419093.db2.gz CDWQMKKNODCACO-UHFFFAOYSA-N 1 2 248.355 2.734 20 0 BFADLO CCC[C@H](C)[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641446303 362423485 /nfs/dbraw/zinc/42/34/85/362423485.db2.gz DZLJJPLJHFCPTB-GXTWGEPZSA-N 1 2 248.370 2.979 20 0 BFADLO OCc1cc[nH+]c(NCC23CCC(CC2)C3)c1 ZINC000641464912 362434668 /nfs/dbraw/zinc/43/46/68/362434668.db2.gz XSIVIBMKSXTHLX-UHFFFAOYSA-N 1 2 232.327 2.566 20 0 BFADLO CC1(C)CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641419976 362407478 /nfs/dbraw/zinc/40/74/78/362407478.db2.gz PUHBVMCNHLHYOK-NSHDSACASA-N 1 2 220.316 2.565 20 0 BFADLO CCC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641433956 362415110 /nfs/dbraw/zinc/41/51/10/362415110.db2.gz PODBCPWZKNFROI-GFCCVEGCSA-N 1 2 234.343 2.590 20 0 BFADLO CC[C@H]1CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641434078 362415185 /nfs/dbraw/zinc/41/51/85/362415185.db2.gz YORMXQORLHMPLI-NWDGAFQWSA-N 1 2 220.316 2.565 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H](CC(F)(F)F)C1 ZINC000641538818 362491380 /nfs/dbraw/zinc/49/13/80/362491380.db2.gz SNNVQZVMPFSCJA-MRVPVSSYSA-N 1 2 248.223 2.999 20 0 BFADLO Cc1ccsc1CCNc1cc(CO)cc[nH+]1 ZINC000641480654 362451010 /nfs/dbraw/zinc/45/10/10/362451010.db2.gz UAWYDRIZLXQDAR-UHFFFAOYSA-N 1 2 248.351 2.598 20 0 BFADLO Cn1c[nH+]c(CSc2ccc3c(c2)CCO3)c1 ZINC000641486745 362453300 /nfs/dbraw/zinc/45/33/00/362453300.db2.gz BBLQKKIYIHRPRA-UHFFFAOYSA-N 1 2 246.335 2.647 20 0 BFADLO C[C@H]1CC[C@@]2(CCN(c3cc(CO)cc[nH+]3)C2)C1 ZINC000641486473 362453735 /nfs/dbraw/zinc/45/37/35/362453735.db2.gz VNGAYUYNXOBZAI-SWLSCSKDSA-N 1 2 246.354 2.590 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccccc3)nc2[nH]1 ZINC000396139703 344614975 /nfs/dbraw/zinc/61/49/75/344614975.db2.gz SOEBVYGXKWDCJN-UHFFFAOYSA-N 1 2 209.252 2.885 20 0 BFADLO CC(C)c1c[nH]c(SCc2cn(C)c[nH+]2)n1 ZINC000641534796 362487621 /nfs/dbraw/zinc/48/76/21/362487621.db2.gz ALLFGUIYYIJRFT-UHFFFAOYSA-N 1 2 236.344 2.559 20 0 BFADLO FCC(CF)[NH2+]Cc1ccnc2ccccc12 ZINC000560148906 344644968 /nfs/dbraw/zinc/64/49/68/344644968.db2.gz ISMDRIFWBCHHQN-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C2=CCCC2)n1 ZINC000351240112 344735601 /nfs/dbraw/zinc/73/56/01/344735601.db2.gz WNLXHLRTPYVPJQ-UHFFFAOYSA-N 1 2 241.294 2.931 20 0 BFADLO Cc1c[nH+]cc(CCc2nc([C@H]3C[C@H]3C)no2)c1 ZINC000350538773 344710267 /nfs/dbraw/zinc/71/02/67/344710267.db2.gz WVWMRHVFYWVZCM-PWSUYJOCSA-N 1 2 243.310 2.682 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000076203677 344799769 /nfs/dbraw/zinc/79/97/69/344799769.db2.gz LYEQVVXZCBJPGF-JBLDHEPKSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1cc([C@H]2CCCN2c2cccc[nH+]2)no1 ZINC000076648354 344804821 /nfs/dbraw/zinc/80/48/21/344804821.db2.gz MDZFJMZRHLEFMW-GFCCVEGCSA-N 1 2 229.283 2.720 20 0 BFADLO CC[C@H](c1ccncc1)N(C)c1cc[nH+]c(C)n1 ZINC000078294895 344843566 /nfs/dbraw/zinc/84/35/66/344843566.db2.gz YJZOSNKOUCMQRB-CYBMUJFWSA-N 1 2 242.326 2.768 20 0 BFADLO Cc1nc(N2CCC[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000078413307 344864001 /nfs/dbraw/zinc/86/40/01/344864001.db2.gz HUFINYMALOGULZ-NEPJUHHUSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(C)cc2F)n1C ZINC000341271515 178767435 /nfs/dbraw/zinc/76/74/35/178767435.db2.gz MDRBTCMBQBVWDK-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CCCOC2)c[nH+]1 ZINC000335606536 178769677 /nfs/dbraw/zinc/76/96/77/178769677.db2.gz BOBMBJLRXBTDPT-RYUDHWBXSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1ncc(C[N@H+]2CC=C(C(F)(F)F)CC2)o1 ZINC000628183390 344930004 /nfs/dbraw/zinc/93/00/04/344930004.db2.gz ZONNDMWJTQBCTA-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1ncc(C[N@@H+]2CC=C(C(F)(F)F)CC2)o1 ZINC000628183390 344930007 /nfs/dbraw/zinc/93/00/07/344930007.db2.gz ZONNDMWJTQBCTA-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1noc(C2CC2)n1 ZINC000626104779 344966807 /nfs/dbraw/zinc/96/68/07/344966807.db2.gz CXUSBAUOVOQWQG-FZMZJTMJSA-N 1 2 247.342 2.712 20 0 BFADLO C[C@]12CCCC[C@H]1C[N@H+]2Cc1noc(C2CC2)n1 ZINC000626104779 344966809 /nfs/dbraw/zinc/96/68/09/344966809.db2.gz CXUSBAUOVOQWQG-FZMZJTMJSA-N 1 2 247.342 2.712 20 0 BFADLO Cc1c[nH]c(CN(CC(F)F)CC2CCC2)[nH+]1 ZINC000628189690 344942198 /nfs/dbraw/zinc/94/21/98/344942198.db2.gz JUVUQWBYVYMPJR-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000448935767 201774888 /nfs/dbraw/zinc/77/48/88/201774888.db2.gz JTBFKOLKZFNUGS-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000628188452 344943120 /nfs/dbraw/zinc/94/31/20/344943120.db2.gz AUNZFTXXHJIWOD-NHYWBVRUSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000628188452 344943123 /nfs/dbraw/zinc/94/31/23/344943123.db2.gz AUNZFTXXHJIWOD-NHYWBVRUSA-N 1 2 241.338 2.911 20 0 BFADLO COc1ccc(NC[C@]2(C)CCCS2)[nH+]c1 ZINC000234997116 537883315 /nfs/dbraw/zinc/88/33/15/537883315.db2.gz BFDBPMSTXKKHAU-LBPRGKRZSA-N 1 2 238.356 2.788 20 0 BFADLO CC1=C[C@@H](C)CN(c2cc[nH+]cc2F)C1 ZINC000641549186 362497566 /nfs/dbraw/zinc/49/75/66/362497566.db2.gz RZBSLEGCICQWIB-SECBINFHSA-N 1 2 206.264 2.623 20 0 BFADLO Cc1ccc(N[C@H](C)c2cccnc2)c[nH+]1 ZINC000154260160 345022803 /nfs/dbraw/zinc/02/28/03/345022803.db2.gz QIORUYHETIEINK-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H](C2CCC2)C1 ZINC000641639715 362567106 /nfs/dbraw/zinc/56/71/06/362567106.db2.gz WVCGTBOLAIINAD-NSHDSACASA-N 1 2 220.291 2.847 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccon2)c2ccccc2O1 ZINC000634982072 345162412 /nfs/dbraw/zinc/16/24/12/345162412.db2.gz AYTIILSWLNPWKA-ZWNOBZJWSA-N 1 2 244.294 2.677 20 0 BFADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1ccon1 ZINC000634982849 345163630 /nfs/dbraw/zinc/16/36/30/345163630.db2.gz XYQASFZSHDEJDO-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000156181076 345132536 /nfs/dbraw/zinc/13/25/36/345132536.db2.gz CBXAAGMDDLHAIG-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000156181076 345132538 /nfs/dbraw/zinc/13/25/38/345132538.db2.gz CBXAAGMDDLHAIG-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000156185658 345132555 /nfs/dbraw/zinc/13/25/55/345132555.db2.gz RFPWGICQTCWPIA-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000156185658 345132557 /nfs/dbraw/zinc/13/25/57/345132557.db2.gz RFPWGICQTCWPIA-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]2C2CCC2)cc[nH+]1 ZINC000425274432 192087143 /nfs/dbraw/zinc/08/71/43/192087143.db2.gz RGBXZUONEZUJNM-NWDGAFQWSA-N 1 2 231.343 2.622 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nccc(C)n2)cc1 ZINC000341216124 178844483 /nfs/dbraw/zinc/84/44/83/178844483.db2.gz FNKNZXTYSXZXMH-CYBMUJFWSA-N 1 2 241.338 2.944 20 0 BFADLO Cc1cc(N[C@@H]2C[C@]2(F)c2ccccc2)nc[nH+]1 ZINC000425274006 192087488 /nfs/dbraw/zinc/08/74/88/192087488.db2.gz QAGXECRHXZTOEK-OCCSQVGLSA-N 1 2 243.285 2.834 20 0 BFADLO CCc1cnc(C[NH2+][C@H](C)c2ccccn2)s1 ZINC000159249845 345419782 /nfs/dbraw/zinc/41/97/82/345419782.db2.gz LONGSECJZZKJMR-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CCC(C)(C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080945393 345453902 /nfs/dbraw/zinc/45/39/02/345453902.db2.gz GGZODYVDYCMYLR-UHFFFAOYSA-N 1 2 218.304 2.867 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC(C)CC2)[nH+]1 ZINC000080762600 345449851 /nfs/dbraw/zinc/44/98/51/345449851.db2.gz UUAZAOHBYOIYCK-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CCc3ccccc32)c1 ZINC000641659204 362584202 /nfs/dbraw/zinc/58/42/02/362584202.db2.gz MHCDKEGJEGOKNQ-CQSZACIVSA-N 1 2 240.306 2.673 20 0 BFADLO Cc1ccc(CCNc2cccc(F)n2)c[nH+]1 ZINC000080981966 345458267 /nfs/dbraw/zinc/45/82/67/345458267.db2.gz GPFMQXDHKVJMBF-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000081006589 345460772 /nfs/dbraw/zinc/46/07/72/345460772.db2.gz LNFZSGKBIZYOFX-ZJUUUORDSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1csc(C[N@H+](C)CCOC(C)(C)C)n1 ZINC000118405799 345539843 /nfs/dbraw/zinc/53/98/43/345539843.db2.gz PPDBHVUYYCDPTG-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO Cc1csc(C[N@@H+](C)CCOC(C)(C)C)n1 ZINC000118405799 345539844 /nfs/dbraw/zinc/53/98/44/345539844.db2.gz PPDBHVUYYCDPTG-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CCC2 ZINC000093116383 345657158 /nfs/dbraw/zinc/65/71/58/345657158.db2.gz ABIFUMLQGFGTBU-CQSZACIVSA-N 1 2 245.301 2.716 20 0 BFADLO C/C=C\C[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641679637 362601169 /nfs/dbraw/zinc/60/11/69/362601169.db2.gz ANITWBOOVIONRC-XQJDBVBESA-N 1 2 246.354 2.757 20 0 BFADLO Cc1ncc([C@H](C)Nc2cc[nH+]cc2F)s1 ZINC000641681184 362603073 /nfs/dbraw/zinc/60/30/73/362603073.db2.gz BCZJPYMDADRZRA-ZETCQYMHSA-N 1 2 237.303 2.581 20 0 BFADLO CN(c1cccc[nH+]1)C1Cc2ccccc2C1 ZINC000147927050 345718263 /nfs/dbraw/zinc/71/82/63/345718263.db2.gz WPNJXEPZCKULBX-UHFFFAOYSA-N 1 2 224.307 2.685 20 0 BFADLO c1ccc(O[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000148856365 345720396 /nfs/dbraw/zinc/72/03/96/345720396.db2.gz XLHNSEXDYGTLEX-AWEZNQCLSA-N 1 2 240.306 2.739 20 0 BFADLO CC(C)(C)c1nc(NCc2ccccn2)cc[nH+]1 ZINC000202749389 345730559 /nfs/dbraw/zinc/73/05/59/345730559.db2.gz RJIZXVBNNMLDRS-UHFFFAOYSA-N 1 2 242.326 2.781 20 0 BFADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCCCC1 ZINC000600985535 345762923 /nfs/dbraw/zinc/76/29/23/345762923.db2.gz WCTWSEBYOSJVDL-GFCCVEGCSA-N 1 2 249.358 2.807 20 0 BFADLO Cc1cc(NC[C@H]2CC23CC3)nc(C(C)C)[nH+]1 ZINC000418982472 192090984 /nfs/dbraw/zinc/09/09/84/192090984.db2.gz AYPKRZLDWVZXME-LLVKDONJSA-N 1 2 231.343 2.542 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)c(OC)c1 ZINC000160010080 345784512 /nfs/dbraw/zinc/78/45/12/345784512.db2.gz PQSJBCQBICRADW-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CNc1cc(N[C@H]2CCCC[C@H]2C)[nH+]cn1 ZINC000087808223 345942211 /nfs/dbraw/zinc/94/22/11/345942211.db2.gz JXUCZGLMBOJKEY-ZJUUUORDSA-N 1 2 220.320 2.509 20 0 BFADLO Brc1ncsc1C[NH+]1CCCC1 ZINC000096964215 187361770 /nfs/dbraw/zinc/36/17/70/187361770.db2.gz XKKXFMJXCNAJPX-UHFFFAOYSA-N 1 2 247.161 2.501 20 0 BFADLO CO[C@H](CNc1cccc[nH+]1)CC(C)C ZINC000418978289 192093721 /nfs/dbraw/zinc/09/37/21/192093721.db2.gz VVPUJXCMLOMTHK-NSHDSACASA-N 1 2 208.305 2.555 20 0 BFADLO C[C@H]1[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C[C@H]1C ZINC000419017311 192094347 /nfs/dbraw/zinc/09/43/47/192094347.db2.gz NVTNKQIRFHRTNH-GMTAPVOTSA-N 1 2 231.343 2.835 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000419017314 192094427 /nfs/dbraw/zinc/09/44/27/192094427.db2.gz NVTNKQIRFHRTNH-OUAUKWLOSA-N 1 2 231.343 2.835 20 0 BFADLO CCCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000202460629 346070571 /nfs/dbraw/zinc/07/05/71/346070571.db2.gz LDPPNOLDZSRNTI-UHFFFAOYSA-N 1 2 219.332 2.899 20 0 BFADLO CCC(CC)N(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635934376 346113663 /nfs/dbraw/zinc/11/36/63/346113663.db2.gz PLQAGLHOSBSTBJ-VXGBXAGGSA-N 1 2 249.358 2.550 20 0 BFADLO CCC(CC)N(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635934376 346113666 /nfs/dbraw/zinc/11/36/66/346113666.db2.gz PLQAGLHOSBSTBJ-VXGBXAGGSA-N 1 2 249.358 2.550 20 0 BFADLO Cc1cn[nH]c1C[NH+]1CCC(c2ccco2)CC1 ZINC000668463047 537945202 /nfs/dbraw/zinc/94/52/02/537945202.db2.gz LEHDHBXGEFCLFL-UHFFFAOYSA-N 1 2 245.326 2.691 20 0 BFADLO Cc1[nH]c(CN(C)c2cccc(C)c2)[nH+]c1C ZINC000628236104 346190129 /nfs/dbraw/zinc/19/01/29/346190129.db2.gz PUBWKYHFQOZRKB-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO Cc1c[nH]c(CN(C)c2cccc(C)c2)[nH+]1 ZINC000628236283 346190282 /nfs/dbraw/zinc/19/02/82/346190282.db2.gz WDARCELOPCWVSZ-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO CSC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000603386020 349942160 /nfs/dbraw/zinc/94/21/60/349942160.db2.gz GGULYSQVBQNMTP-JTQLQIEISA-N 1 2 240.347 2.800 20 0 BFADLO CCCC[C@@H](COC)Nc1ccc(OC)c[nH+]1 ZINC000679069115 488305529 /nfs/dbraw/zinc/30/55/29/488305529.db2.gz BYYXIPISALROIN-NSHDSACASA-N 1 2 238.331 2.707 20 0 BFADLO CC[C@H]1CCCC[C@H]1C[N@H+](CCO)CC(F)F ZINC000628256278 346254144 /nfs/dbraw/zinc/25/41/44/346254144.db2.gz PZXPQDNWIGTFNM-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]1CCCC[C@H]1C[N@@H+](CCO)CC(F)F ZINC000628256278 346254148 /nfs/dbraw/zinc/25/41/48/346254148.db2.gz PZXPQDNWIGTFNM-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@H]2C(F)F)[nH+]c1C ZINC000628262362 346261663 /nfs/dbraw/zinc/26/16/63/346261663.db2.gz HQNZTONUELIMBB-JTQLQIEISA-N 1 2 243.301 2.646 20 0 BFADLO COCc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000684413768 488309434 /nfs/dbraw/zinc/30/94/34/488309434.db2.gz BBTROTROSSSWJX-UHFFFAOYSA-N 1 2 243.297 2.966 20 0 BFADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000626162347 346272780 /nfs/dbraw/zinc/27/27/80/346272780.db2.gz SNDCZCUHQVUFHY-PYEVWLCESA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C/C[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000626162347 346272783 /nfs/dbraw/zinc/27/27/83/346272783.db2.gz SNDCZCUHQVUFHY-PYEVWLCESA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C/C[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000626162350 346273490 /nfs/dbraw/zinc/27/34/90/346273490.db2.gz SOQLZGQSFQKIIB-PCAWENJQSA-N 1 2 235.331 2.556 20 0 BFADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000626162350 346273492 /nfs/dbraw/zinc/27/34/92/346273492.db2.gz SOQLZGQSFQKIIB-PCAWENJQSA-N 1 2 235.331 2.556 20 0 BFADLO CC[N@H+](Cc1nc(C)c[nH]1)[C@H](C)c1cccnc1 ZINC000628280896 346292928 /nfs/dbraw/zinc/29/29/28/346292928.db2.gz OBOFSJMCNQOJSZ-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@H](C)c1cccnc1 ZINC000628280896 346292931 /nfs/dbraw/zinc/29/29/31/346292931.db2.gz OBOFSJMCNQOJSZ-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO Cc1cccc(C)c1CNc1ccc(CO)c[nH+]1 ZINC000356318624 179039408 /nfs/dbraw/zinc/03/94/08/179039408.db2.gz MKXPZJQGWKFLCB-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1cn2ccc(C(=O)N(C)C(C)(C)C)cc2[nH+]1 ZINC000636108095 346321188 /nfs/dbraw/zinc/32/11/88/346321188.db2.gz CUQDSKMANRKGQN-UHFFFAOYSA-N 1 2 245.326 2.513 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CC[C@H](C)[C@@H](F)C1 ZINC000679220122 488318114 /nfs/dbraw/zinc/31/81/14/488318114.db2.gz COMNRKORPKLOCY-RYUDHWBXSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1cccc(C[N@@H+]2CCn3cccc3[C@H]2C)n1 ZINC000336572027 179081835 /nfs/dbraw/zinc/08/18/35/179081835.db2.gz NFODTXOJBUERSL-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)n1 ZINC000336572027 179081837 /nfs/dbraw/zinc/08/18/37/179081837.db2.gz NFODTXOJBUERSL-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(F)F)cn1 ZINC000641791333 362731690 /nfs/dbraw/zinc/73/16/90/362731690.db2.gz HHIDDZFNIBLTTQ-DTWKUNHWSA-N 1 2 231.290 2.768 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccncc1 ZINC000641791368 362732054 /nfs/dbraw/zinc/73/20/54/362732054.db2.gz HKWNGRQAVWTXSX-SCZZXKLOSA-N 1 2 214.259 2.776 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000641791885 362733076 /nfs/dbraw/zinc/73/30/76/362733076.db2.gz ONMKVYZMIIQVEK-RKDXNWHRSA-N 1 2 214.259 2.694 20 0 BFADLO Cc1cccc(Cl)c1NCc1c[nH+]cn1C ZINC000085387904 179107987 /nfs/dbraw/zinc/10/79/87/179107987.db2.gz LJWCFERDYGMVEL-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCOc1cccc(Cl)c1Cn1cc[nH+]c1 ZINC000580325585 347097015 /nfs/dbraw/zinc/09/70/15/347097015.db2.gz RZDDAQQLFCJHCH-UHFFFAOYSA-N 1 2 236.702 2.984 20 0 BFADLO Cc1nc(C[NH+]2CCC(C)(C(C)C)CC2)no1 ZINC000186203217 346497235 /nfs/dbraw/zinc/49/72/35/346497235.db2.gz QWCCSFQPKRANOM-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1cccc(N(C)CCCn2cc[nH+]c2)c1 ZINC000182746624 179115428 /nfs/dbraw/zinc/11/54/28/179115428.db2.gz FBYNFSZHAOWESY-UHFFFAOYSA-N 1 2 229.327 2.718 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCCC3(CC3)C2)o1 ZINC000186984168 346550421 /nfs/dbraw/zinc/55/04/21/346550421.db2.gz VOZRLAUKPLJADI-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCCC3(CC3)C2)o1 ZINC000186984168 346550422 /nfs/dbraw/zinc/55/04/22/346550422.db2.gz VOZRLAUKPLJADI-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cncn1C ZINC000177259763 346595644 /nfs/dbraw/zinc/59/56/44/346595644.db2.gz JVMHEXKZYDZPQQ-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cncn1C ZINC000177259763 346595648 /nfs/dbraw/zinc/59/56/48/346595648.db2.gz JVMHEXKZYDZPQQ-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H]1CCCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000187977772 346663942 /nfs/dbraw/zinc/66/39/42/346663942.db2.gz LLFQHDJYQTUMBW-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO C[C@@H]1CCCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000187977772 346663944 /nfs/dbraw/zinc/66/39/44/346663944.db2.gz LLFQHDJYQTUMBW-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO c1cc(C[NH2+]Cc2n[nH]c3ccccc32)cs1 ZINC000589641189 346721439 /nfs/dbraw/zinc/72/14/39/346721439.db2.gz WRXGKQVHKLZMIJ-UHFFFAOYSA-N 1 2 243.335 2.914 20 0 BFADLO CCO[C@@H](C)c1nccn1Cc1cc[nH+]c(C)c1 ZINC000621995109 370650974 /nfs/dbraw/zinc/65/09/74/370650974.db2.gz UUWZLAVLNWLPKX-LBPRGKRZSA-N 1 2 245.326 2.732 20 0 BFADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)co1 ZINC000188353043 346805761 /nfs/dbraw/zinc/80/57/61/346805761.db2.gz SXNPDVPJGVQZIT-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CCOC(=O)C1(C)CC(Nc2ccc(C)[nH+]c2)C1 ZINC000601274036 347134616 /nfs/dbraw/zinc/13/46/16/347134616.db2.gz VRKMSUSXKJZZOR-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cnc[nH]1 ZINC000684619528 488333702 /nfs/dbraw/zinc/33/37/02/488333702.db2.gz BNLFCDWQUKNNQJ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000038011479 179183358 /nfs/dbraw/zinc/18/33/58/179183358.db2.gz GJJNCODKXQBNGV-LLVKDONJSA-N 1 2 229.327 2.877 20 0 BFADLO CC1(C)C[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000309816618 347176942 /nfs/dbraw/zinc/17/69/42/347176942.db2.gz VJQBMHSMZCLLFT-SNVBAGLBSA-N 1 2 217.316 2.812 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000038011480 179197123 /nfs/dbraw/zinc/19/71/23/179197123.db2.gz GJJNCODKXQBNGV-NSHDSACASA-N 1 2 229.327 2.877 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000041015411 179196176 /nfs/dbraw/zinc/19/61/76/179196176.db2.gz DHYNYLCFDKIVSH-NSHDSACASA-N 1 2 215.300 2.569 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000679324539 488337867 /nfs/dbraw/zinc/33/78/67/488337867.db2.gz VZWRBNXHZCDQQV-JTQLQIEISA-N 1 2 221.304 2.516 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679324539 488337869 /nfs/dbraw/zinc/33/78/69/488337869.db2.gz VZWRBNXHZCDQQV-JTQLQIEISA-N 1 2 221.304 2.516 20 0 BFADLO CCC(F)(F)CN[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000624148969 347281787 /nfs/dbraw/zinc/28/17/87/347281787.db2.gz SFFSWLSXWJBXFW-DTWKUNHWSA-N 1 2 229.274 2.524 20 0 BFADLO Cc1cccc2c1N(CCCn1cc[nH+]c1)CC2 ZINC000182875222 179219009 /nfs/dbraw/zinc/21/90/09/179219009.db2.gz LGEQMERHQRUSIF-UHFFFAOYSA-N 1 2 241.338 2.644 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC23CC3)c(C)c[nH+]1 ZINC000626226041 347384363 /nfs/dbraw/zinc/38/43/63/347384363.db2.gz YDATWVNHYWGKLO-LBPRGKRZSA-N 1 2 244.338 2.639 20 0 BFADLO CC[C@@H](C)[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000035044798 358452992 /nfs/dbraw/zinc/45/29/92/358452992.db2.gz NLPTUOLWDKDLOQ-TZMCWYRMSA-N 1 2 249.354 2.672 20 0 BFADLO Cc1nocc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000636581390 347519486 /nfs/dbraw/zinc/51/94/86/347519486.db2.gz ABPGFSIUHLLVHY-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129559016 179270647 /nfs/dbraw/zinc/27/06/47/179270647.db2.gz FYBATQWQJRSRQB-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000129559016 179270648 /nfs/dbraw/zinc/27/06/48/179270648.db2.gz FYBATQWQJRSRQB-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000591806427 347704113 /nfs/dbraw/zinc/70/41/13/347704113.db2.gz JBLUIAXFVDRYND-SNVBAGLBSA-N 1 2 247.346 2.600 20 0 BFADLO CC[N@H+](CCSC)[C@@H](C)c1nnc(C)s1 ZINC000592205207 347756955 /nfs/dbraw/zinc/75/69/55/347756955.db2.gz XQDGHIVOHATVJS-QMMMGPOBSA-N 1 2 245.417 2.592 20 0 BFADLO CC[N@@H+](CCSC)[C@@H](C)c1nnc(C)s1 ZINC000592205207 347756958 /nfs/dbraw/zinc/75/69/58/347756958.db2.gz XQDGHIVOHATVJS-QMMMGPOBSA-N 1 2 245.417 2.592 20 0 BFADLO CCCCCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000200513231 347817964 /nfs/dbraw/zinc/81/79/64/347817964.db2.gz JNVMYIAJJXIRDR-LBPRGKRZSA-N 1 2 237.347 2.803 20 0 BFADLO COCCCOc1cc(C)[nH+]c2ccccc21 ZINC000200585750 347823720 /nfs/dbraw/zinc/82/37/20/347823720.db2.gz HUIJSUYLPLDITP-UHFFFAOYSA-N 1 2 231.295 2.959 20 0 BFADLO Cc1c[nH+]ccc1CCSCc1cnn(C)c1 ZINC000593438232 347890682 /nfs/dbraw/zinc/89/06/82/347890682.db2.gz XUEBXXUALOTZMM-UHFFFAOYSA-N 1 2 247.367 2.599 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H]2SC)c1 ZINC000593697849 347929676 /nfs/dbraw/zinc/92/96/76/347929676.db2.gz OAMAVQLVYWATSR-GHMZBOCLSA-N 1 2 238.356 2.534 20 0 BFADLO Cc1ccccc1[C@@H]([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000294916827 179326639 /nfs/dbraw/zinc/32/66/39/179326639.db2.gz GFKOMJICHPHWOM-HNNXBMFYSA-N 1 2 241.338 2.959 20 0 BFADLO C[N@H+](Cc1ccccc1F)Cc1ncccc1O ZINC000577423944 365951204 /nfs/dbraw/zinc/95/12/04/365951204.db2.gz VXTRFUXCFXRVFM-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1ccccc1F)Cc1ncccc1O ZINC000577423944 365951209 /nfs/dbraw/zinc/95/12/09/365951209.db2.gz VXTRFUXCFXRVFM-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[C@@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000112979782 323172636 /nfs/dbraw/zinc/17/26/36/323172636.db2.gz OXVOXDFYZGEPRJ-JTQLQIEISA-N 1 2 213.271 2.987 20 0 BFADLO C[C@@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000112979782 323172637 /nfs/dbraw/zinc/17/26/37/323172637.db2.gz OXVOXDFYZGEPRJ-JTQLQIEISA-N 1 2 213.271 2.987 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)CSCCF ZINC000595030777 348174556 /nfs/dbraw/zinc/17/45/56/348174556.db2.gz VQYDNWIYENCXCQ-VIFPVBQESA-N 1 2 228.336 2.893 20 0 BFADLO Cc1cccnc1C[NH2+]C(C)(C)c1nccs1 ZINC000093193539 179382011 /nfs/dbraw/zinc/38/20/11/179382011.db2.gz LAFHLMGCVHWKSM-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO CC[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000419285133 192123551 /nfs/dbraw/zinc/12/35/51/192123551.db2.gz DEQHZDYJJDBHFW-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000419285133 192123552 /nfs/dbraw/zinc/12/35/52/192123552.db2.gz DEQHZDYJJDBHFW-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2csnn2)cs1 ZINC000398410712 323185594 /nfs/dbraw/zinc/18/55/94/323185594.db2.gz LTQLSXPAULUKRX-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO COC(=O)Cc1cc[nH+]c(NC2CCCCC2)c1 ZINC000596049086 348429379 /nfs/dbraw/zinc/42/93/79/348429379.db2.gz IBINMYYUBPSYIM-UHFFFAOYSA-N 1 2 248.326 2.542 20 0 BFADLO Cc1cc[nH+]c(NCC2CCOCC2)c1Cl ZINC000336495859 179441489 /nfs/dbraw/zinc/44/14/89/179441489.db2.gz JDXHAPZUDALGCU-UHFFFAOYSA-N 1 2 240.734 2.882 20 0 BFADLO Cc1ccc(CSCC[C@H](C)O)c(C)[nH+]1 ZINC000596368776 348512436 /nfs/dbraw/zinc/51/24/36/348512436.db2.gz XUPISFPVEMJQHP-JTQLQIEISA-N 1 2 225.357 2.703 20 0 BFADLO c1cn(CCSCC[C@@H]2CCCCO2)c[nH+]1 ZINC000596389142 348530959 /nfs/dbraw/zinc/53/09/59/348530959.db2.gz FMOBBHYQSWDYMU-LBPRGKRZSA-N 1 2 240.372 2.576 20 0 BFADLO Cc1c[nH+]c(CCSCC[C@@H](C)O)c(C)c1 ZINC000596406384 348535581 /nfs/dbraw/zinc/53/55/81/348535581.db2.gz GBLLMJDGDRPNLH-GFCCVEGCSA-N 1 2 239.384 2.745 20 0 BFADLO Cc1c[nH+]c(CCSCC[C@H](C)O)c(C)c1 ZINC000596406385 348535659 /nfs/dbraw/zinc/53/56/59/348535659.db2.gz GBLLMJDGDRPNLH-LBPRGKRZSA-N 1 2 239.384 2.745 20 0 BFADLO Cc1ccoc1CNc1ccc(N(C)C)[nH+]c1 ZINC000158119660 179531529 /nfs/dbraw/zinc/53/15/29/179531529.db2.gz HXXCXSCNUXUDDQ-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000599913675 349269708 /nfs/dbraw/zinc/26/97/08/349269708.db2.gz OYYCATGIZOHBHF-UMSPYCQHSA-N 1 2 231.343 2.767 20 0 BFADLO c1cn(CCCc2nc(C3CCCC3)no2)c[nH+]1 ZINC000603633361 350004542 /nfs/dbraw/zinc/00/45/42/350004542.db2.gz CNCODOWKZAYOLD-UHFFFAOYSA-N 1 2 246.314 2.557 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccccn2)o1 ZINC000311773043 350006628 /nfs/dbraw/zinc/00/66/28/350006628.db2.gz NFVXRIUREFIDFV-VIFPVBQESA-N 1 2 231.299 2.537 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccsc1 ZINC000603785589 350032866 /nfs/dbraw/zinc/03/28/66/350032866.db2.gz FBSWNHOOKIYYEI-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO CCC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884392 350048966 /nfs/dbraw/zinc/04/89/66/350048966.db2.gz WVEDHZWMUDZJMK-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO Cc1nnc(C[N@H+](Cc2ccccc2)C2CC2)o1 ZINC000043643304 350068867 /nfs/dbraw/zinc/06/88/67/350068867.db2.gz QPRJBPIGYRXFGQ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nnc(C[N@@H+](Cc2ccccc2)C2CC2)o1 ZINC000043643304 350068871 /nfs/dbraw/zinc/06/88/71/350068871.db2.gz QPRJBPIGYRXFGQ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000604331599 350103840 /nfs/dbraw/zinc/10/38/40/350103840.db2.gz YOPQHLKMXUFWSF-SNVBAGLBSA-N 1 2 245.326 2.955 20 0 BFADLO COc1ccc[nH+]c1NCCSCC(C)C ZINC000397145897 350104359 /nfs/dbraw/zinc/10/43/59/350104359.db2.gz GDTDYXANNBTIPY-UHFFFAOYSA-N 1 2 240.372 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CSC2(C)C)[nH+]1 ZINC000328714975 180025757 /nfs/dbraw/zinc/02/57/57/180025757.db2.gz CQFHMNPGDFDAFZ-VIFPVBQESA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)[nH]1 ZINC000336280781 180035732 /nfs/dbraw/zinc/03/57/32/180035732.db2.gz BWGMMWAQJAXMPF-ZWNOBZJWSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)[nH]1 ZINC000336280781 180035736 /nfs/dbraw/zinc/03/57/36/180035736.db2.gz BWGMMWAQJAXMPF-ZWNOBZJWSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H](C)CCC2CC2)[nH+]1 ZINC000346242600 180058733 /nfs/dbraw/zinc/05/87/33/180058733.db2.gz SHGWCOMHSSQXQA-SECBINFHSA-N 1 2 244.342 2.679 20 0 BFADLO CCC1CC(Nc2[nH+]cccc2OC)C1 ZINC000309176705 350121178 /nfs/dbraw/zinc/12/11/78/350121178.db2.gz MYNTXTWSICABJZ-UHFFFAOYSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)C(C)(C)C)ccc2n1C ZINC000297873500 180084272 /nfs/dbraw/zinc/08/42/72/180084272.db2.gz UONGDAYETVSILB-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO CC(C)[C@]1(C)C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000397222913 350139603 /nfs/dbraw/zinc/13/96/03/350139603.db2.gz LIUMCJCVKSERNG-CPCISQLKSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@]1(C)C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000397222913 350139606 /nfs/dbraw/zinc/13/96/06/350139606.db2.gz LIUMCJCVKSERNG-CPCISQLKSA-N 1 2 240.738 2.559 20 0 BFADLO Cc1nc(NC2CCC2)c2c([nH+]1)CCCC2 ZINC000272865867 180068929 /nfs/dbraw/zinc/06/89/29/180068929.db2.gz MZBDIMLNDBFDEK-UHFFFAOYSA-N 1 2 217.316 2.628 20 0 BFADLO Cc1nc(N(C)CC(C)C)c2c([nH+]1)CCCC2 ZINC000359719861 180069013 /nfs/dbraw/zinc/06/90/13/180069013.db2.gz UBBJPGOCSGAJKA-UHFFFAOYSA-N 1 2 233.359 2.756 20 0 BFADLO Cc1nc(N[C@@H]2CCC[C@H]2F)c2c([nH+]1)CCCC2 ZINC000338845718 180069894 /nfs/dbraw/zinc/06/98/94/180069894.db2.gz UOYDJOKXMNPUOX-DGCLKSJQSA-N 1 2 249.333 2.966 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H](C(C)C)C2)c[nH+]1 ZINC000339224287 180133699 /nfs/dbraw/zinc/13/36/99/180133699.db2.gz RIKIOSUUWXNJQE-RYUDHWBXSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@@H](C(C)C)C2)c[nH+]1 ZINC000339224288 180134268 /nfs/dbraw/zinc/13/42/68/180134268.db2.gz RIKIOSUUWXNJQE-VXGBXAGGSA-N 1 2 249.358 2.663 20 0 BFADLO C[C@H](O)CCCSc1[nH+]cc2ccccn21 ZINC000427280193 191058433 /nfs/dbraw/zinc/05/84/33/191058433.db2.gz KLPAJRMGJBRFSS-JTQLQIEISA-N 1 2 236.340 2.587 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)s1 ZINC000278593486 180143105 /nfs/dbraw/zinc/14/31/05/180143105.db2.gz LHQMPGPGKRSJQT-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)s1 ZINC000278593486 180143109 /nfs/dbraw/zinc/14/31/09/180143109.db2.gz LHQMPGPGKRSJQT-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(CNc2c[nH+]ccc2C)s1 ZINC000070957235 180159781 /nfs/dbraw/zinc/15/97/81/180159781.db2.gz WHFYIWIBRIGIEF-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000267572749 180194002 /nfs/dbraw/zinc/19/40/02/180194002.db2.gz XNGMNGRORBNDFL-KGYLQXTDSA-N 1 2 231.343 2.942 20 0 BFADLO Cc1nc(N2CC[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000266192743 180194175 /nfs/dbraw/zinc/19/41/75/180194175.db2.gz CCONBXQWPJWKRC-CQSZACIVSA-N 1 2 239.322 2.779 20 0 BFADLO Cc1nc(N2CC[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000130587848 180195541 /nfs/dbraw/zinc/19/55/41/180195541.db2.gz YSRUIBFKFOEZEW-QWRGUYRKSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1nc(NCCCOC2CCCCC2)cc[nH+]1 ZINC000266182017 180197812 /nfs/dbraw/zinc/19/78/12/180197812.db2.gz VSYNVKARAQBSJS-UHFFFAOYSA-N 1 2 249.358 2.936 20 0 BFADLO Cc1nc(NCCSc2ccccc2)cc[nH+]1 ZINC000054935959 180198184 /nfs/dbraw/zinc/19/81/84/180198184.db2.gz PKMCJMPRSFIBGU-UHFFFAOYSA-N 1 2 245.351 2.989 20 0 BFADLO Cc1nc(NCCCc2ccc(O)cc2)cc[nH+]1 ZINC000266299017 180198971 /nfs/dbraw/zinc/19/89/71/180198971.db2.gz YHCPEFTXHQMFFT-UHFFFAOYSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1nc(CCNc2cc[nH+]c(C)n2)sc1C ZINC000153769196 180200959 /nfs/dbraw/zinc/20/09/59/180200959.db2.gz MXCRTCQQRRXIGI-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1nc(N[C@@H]2CCCC23CCOCC3)cc[nH+]1 ZINC000283551645 180202162 /nfs/dbraw/zinc/20/21/62/180202162.db2.gz PDRISBCDONYRJR-GFCCVEGCSA-N 1 2 247.342 2.546 20 0 BFADLO Cc1nc(N[C@H](C)C2CCCC2)cc[nH+]1 ZINC000069805335 180205013 /nfs/dbraw/zinc/20/50/13/180205013.db2.gz YEOBTQBAUZABMS-SECBINFHSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc[nH+]1 ZINC000361096632 180205184 /nfs/dbraw/zinc/20/51/84/180205184.db2.gz MORRLQSPQXUEQJ-UONOGXRCSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1nccc(Sc2[nH+]cc3ccccn32)n1 ZINC000360245615 180206876 /nfs/dbraw/zinc/20/68/76/180206876.db2.gz PLWIAKDAPFWCBB-UHFFFAOYSA-N 1 2 242.307 2.584 20 0 BFADLO Cc1nc(N[C@H]2C[C@H](OC(C)C)C2(C)C)cc[nH+]1 ZINC000274193173 180207764 /nfs/dbraw/zinc/20/77/64/180207764.db2.gz FLKAQCNHUQRCLY-RYUDHWBXSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(C(C)(C)C)no1 ZINC000285591877 180222815 /nfs/dbraw/zinc/22/28/15/180222815.db2.gz TYUXLLDWJNZVMX-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1[nH+]cccc1NCc1cnn(C(C)C)c1 ZINC000227599554 180226069 /nfs/dbraw/zinc/22/60/69/180226069.db2.gz AJCQIJIDYJPJAD-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CC(C)[N@H+](Cc1cnns1)Cc1ccccc1 ZINC000347714502 535118771 /nfs/dbraw/zinc/11/87/71/535118771.db2.gz DLDJURQXENPJJS-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1cnns1)Cc1ccccc1 ZINC000347714502 535118776 /nfs/dbraw/zinc/11/87/76/535118776.db2.gz DLDJURQXENPJJS-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO Cc1cccc(C)c1NC(=O)CCn1cc[nH+]c1 ZINC000222772865 350252338 /nfs/dbraw/zinc/25/23/38/350252338.db2.gz DDWYUHLRTIZSDT-UHFFFAOYSA-N 1 2 243.310 2.529 20 0 BFADLO CC[C@H]([NH2+]Cc1nc(C)no1)c1cccs1 ZINC000038034318 350300303 /nfs/dbraw/zinc/30/03/03/350300303.db2.gz CFRNYWBJPFPTDU-VIFPVBQESA-N 1 2 237.328 2.680 20 0 BFADLO Cc1cccc2nc(C[NH2+]Cc3ccco3)cn21 ZINC000068996875 350319278 /nfs/dbraw/zinc/31/92/78/350319278.db2.gz RUECYXGMLITYPG-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO Cc1ncsc1CC[N@@H+]1CCC=C(F)C1 ZINC000272420997 180309399 /nfs/dbraw/zinc/30/93/99/180309399.db2.gz GPPAVHRWYBGLNI-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO Cc1ncsc1CC[N@H+]1CCC=C(F)C1 ZINC000272420997 180309402 /nfs/dbraw/zinc/30/94/02/180309402.db2.gz GPPAVHRWYBGLNI-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO CCc1cc(NCc2ccc(F)cc2)nc[nH+]1 ZINC000040765048 350394321 /nfs/dbraw/zinc/39/43/21/350394321.db2.gz LDEGMODUWQUFCZ-UHFFFAOYSA-N 1 2 231.274 2.790 20 0 BFADLO CCc1cc(NCc2cccc(F)c2)nc[nH+]1 ZINC000040765073 350394397 /nfs/dbraw/zinc/39/43/97/350394397.db2.gz SGWHFRRLNXMNRI-UHFFFAOYSA-N 1 2 231.274 2.790 20 0 BFADLO CCc1cc(NCCc2cccs2)nc[nH+]1 ZINC000040765055 350394536 /nfs/dbraw/zinc/39/45/36/350394536.db2.gz HZRSUYHNSYSTSL-UHFFFAOYSA-N 1 2 233.340 2.755 20 0 BFADLO C[C@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631093324 350453777 /nfs/dbraw/zinc/45/37/77/350453777.db2.gz USICCBVFYYZJGJ-VIFPVBQESA-N 1 2 242.326 2.682 20 0 BFADLO CC(C)c1nc(Cn2cc[nH+]c2)cs1 ZINC000070162743 350502004 /nfs/dbraw/zinc/50/20/04/350502004.db2.gz YFZFURUDNVHFKS-UHFFFAOYSA-N 1 2 207.302 2.511 20 0 BFADLO CC[N@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000336651063 350576077 /nfs/dbraw/zinc/57/60/77/350576077.db2.gz JCLFVMOSXRTYJX-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CC[N@@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000336651063 350576080 /nfs/dbraw/zinc/57/60/80/350576080.db2.gz JCLFVMOSXRTYJX-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443516670 191109125 /nfs/dbraw/zinc/10/91/25/191109125.db2.gz GSMOSFWCMLUYMA-ZJUUUORDSA-N 1 2 247.317 2.947 20 0 BFADLO Clc1snnc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000306853711 490648075 /nfs/dbraw/zinc/64/80/75/490648075.db2.gz UDEKFBMALWSMNQ-VXNVDRBHSA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000306853711 490648078 /nfs/dbraw/zinc/64/80/78/490648078.db2.gz UDEKFBMALWSMNQ-VXNVDRBHSA-N 1 2 243.763 2.566 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)CC1CC1 ZINC000112210587 350653629 /nfs/dbraw/zinc/65/36/29/350653629.db2.gz FTIJGQPBHDQFJD-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)CC1CC1 ZINC000112210587 350653632 /nfs/dbraw/zinc/65/36/32/350653632.db2.gz FTIJGQPBHDQFJD-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051686087 350761111 /nfs/dbraw/zinc/76/11/11/350761111.db2.gz JKLQFZDWEZINRH-SNVBAGLBSA-N 1 2 239.363 2.988 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051686087 350761113 /nfs/dbraw/zinc/76/11/13/350761113.db2.gz JKLQFZDWEZINRH-SNVBAGLBSA-N 1 2 239.363 2.988 20 0 BFADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CC=CCC1 ZINC000382525111 350853945 /nfs/dbraw/zinc/85/39/45/350853945.db2.gz FKGKUCYKOMJYAA-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=CCC1 ZINC000382525111 350853946 /nfs/dbraw/zinc/85/39/46/350853946.db2.gz FKGKUCYKOMJYAA-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1cc(C)on1 ZINC000623121999 351053701 /nfs/dbraw/zinc/05/37/01/351053701.db2.gz ZFDUFMLFOQQXPW-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1cc(C)on1 ZINC000623121999 351053704 /nfs/dbraw/zinc/05/37/04/351053704.db2.gz ZFDUFMLFOQQXPW-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC[C@H]1CCCO1 ZINC000264965202 351260383 /nfs/dbraw/zinc/26/03/83/351260383.db2.gz BSJVXWHWZULXSI-GFCCVEGCSA-N 1 2 248.326 2.542 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1scnc1C ZINC000265051515 351261846 /nfs/dbraw/zinc/26/18/46/351261846.db2.gz ZDUSFEYMEKMHNO-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO CCN(Cc1cccs1)c1cc[nH+]c(C)n1 ZINC000266169301 351282943 /nfs/dbraw/zinc/28/29/43/351282943.db2.gz QIXFFZRNPUHTTH-UHFFFAOYSA-N 1 2 233.340 2.873 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)C1CC1 ZINC000267016946 351296796 /nfs/dbraw/zinc/29/67/96/351296796.db2.gz BQQRMBBSKOTYHC-VIFPVBQESA-N 1 2 218.300 2.629 20 0 BFADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)c1cccc(O)c1 ZINC000628353019 351317793 /nfs/dbraw/zinc/31/77/93/351317793.db2.gz DKTHETJYZOVDNE-UHFFFAOYSA-N 1 2 245.326 2.759 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCCCO1 ZINC000268052215 351327117 /nfs/dbraw/zinc/32/71/17/351327117.db2.gz QHABOADDLJIXHF-GFCCVEGCSA-N 1 2 248.326 2.542 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000268130086 351328517 /nfs/dbraw/zinc/32/85/17/351328517.db2.gz MCYSGNZGCVXGEA-YPMHNXCESA-N 1 2 248.326 2.540 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)C(C)(F)F ZINC000389461627 351274070 /nfs/dbraw/zinc/27/40/70/351274070.db2.gz GKAVHJBGEYWECI-JGVFFNPUSA-N 1 2 203.232 2.974 20 0 BFADLO CCCCc1cc(N[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000631248293 351368645 /nfs/dbraw/zinc/36/86/45/351368645.db2.gz XQOPECLJJZXMTJ-YPMHNXCESA-N 1 2 249.358 2.656 20 0 BFADLO CC[N@@H+](Cc1ccn(C)n1)Cc1cccs1 ZINC000270796744 351388075 /nfs/dbraw/zinc/38/80/75/351388075.db2.gz MZXROWKYXMRFCJ-UHFFFAOYSA-N 1 2 235.356 2.504 20 0 BFADLO CC[N@H+](Cc1ccn(C)n1)Cc1cccs1 ZINC000270796744 351388078 /nfs/dbraw/zinc/38/80/78/351388078.db2.gz MZXROWKYXMRFCJ-UHFFFAOYSA-N 1 2 235.356 2.504 20 0 BFADLO Cc1nc(C[NH2+]Cc2cccc(F)c2)cs1 ZINC000034957227 351363011 /nfs/dbraw/zinc/36/30/11/351363011.db2.gz OIZGBSIQSZRIBX-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO Clc1nccc(C[NH+]2CCCC2)c1Cl ZINC000290392965 180601989 /nfs/dbraw/zinc/60/19/89/180601989.db2.gz JPVHQRUQDRKGKL-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO CN(C)c1ccc(NCc2cccc(F)c2)c[nH+]1 ZINC000036988814 358465442 /nfs/dbraw/zinc/46/54/42/358465442.db2.gz LESIRUVXSYSARV-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO Cc1cc(NC(=O)c2cc(C(C)C)no2)cc[nH+]1 ZINC000072805736 351602498 /nfs/dbraw/zinc/60/24/98/351602498.db2.gz VOUPDMXYNOYTDE-UHFFFAOYSA-N 1 2 245.282 2.754 20 0 BFADLO CCCC[C@H](CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276663408 351642269 /nfs/dbraw/zinc/64/22/69/351642269.db2.gz MUTLGDXXMATXCZ-GUOLPTJISA-N 1 2 249.358 2.756 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CS[C@H](C)C2)c1 ZINC000232073014 351657057 /nfs/dbraw/zinc/65/70/57/351657057.db2.gz JKHSHSSRPNLQAY-KOLCDFICSA-N 1 2 208.330 2.696 20 0 BFADLO CCc1nc(COc2cc[nH+]cc2)cs1 ZINC000276511636 351627987 /nfs/dbraw/zinc/62/79/87/351627987.db2.gz ZMKBJBXELKVHIZ-UHFFFAOYSA-N 1 2 220.297 2.680 20 0 BFADLO CC[C@@H](CC(=O)Nc1ccc(N)[nH+]c1)C(C)(C)C ZINC000637830313 351678856 /nfs/dbraw/zinc/67/88/56/351678856.db2.gz UPOLDAZMVVTVKB-JTQLQIEISA-N 1 2 249.358 2.895 20 0 BFADLO CCC(C)(C)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000577718220 366041244 /nfs/dbraw/zinc/04/12/44/366041244.db2.gz FREZCJJKWWXBSJ-UHFFFAOYSA-N 1 2 249.358 2.678 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccns2)o1 ZINC000637853314 351708847 /nfs/dbraw/zinc/70/88/47/351708847.db2.gz MLGUTXHTDGVTCY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccns2)o1 ZINC000637853314 351708848 /nfs/dbraw/zinc/70/88/48/351708848.db2.gz MLGUTXHTDGVTCY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO C[C@H](C[NH+]1CC(C(F)(F)F)C1)C(F)(F)F ZINC000577816763 366068301 /nfs/dbraw/zinc/06/83/01/366068301.db2.gz VHIHSYJEKTUPTH-RXMQYKEDSA-N 1 2 235.171 2.679 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccns2)on1 ZINC000637948776 351823537 /nfs/dbraw/zinc/82/35/37/351823537.db2.gz RBSWTKAMRKCGMS-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccns2)on1 ZINC000637948776 351823541 /nfs/dbraw/zinc/82/35/41/351823541.db2.gz RBSWTKAMRKCGMS-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccns2)s1 ZINC000637953192 351829809 /nfs/dbraw/zinc/82/98/09/351829809.db2.gz SJSBFXBXGDXDEP-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccns2)s1 ZINC000637953192 351829814 /nfs/dbraw/zinc/82/98/14/351829814.db2.gz SJSBFXBXGDXDEP-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO CCC[C@@H](C[N@H+](CC(F)F)C1CC1)OC ZINC000638056452 351932508 /nfs/dbraw/zinc/93/25/08/351932508.db2.gz PBPONHVNBKCNSU-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CCC[C@@H](C[N@@H+](CC(F)F)C1CC1)OC ZINC000638056452 351932510 /nfs/dbraw/zinc/93/25/10/351932510.db2.gz PBPONHVNBKCNSU-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H](C)[C@@H](C[N@H+](CC(F)F)C1CC1)OC ZINC000638056574 351932596 /nfs/dbraw/zinc/93/25/96/351932596.db2.gz RHHGNTUPZBMPFI-GXSJLCMTSA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@H](C)[C@@H](C[N@@H+](CC(F)F)C1CC1)OC ZINC000638056574 351932599 /nfs/dbraw/zinc/93/25/99/351932599.db2.gz RHHGNTUPZBMPFI-GXSJLCMTSA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@@](C)(C[N@H+](CC(F)F)C1CC1)OC ZINC000638057422 351933613 /nfs/dbraw/zinc/93/36/13/351933613.db2.gz VQRVKZYJPMIZFU-NSHDSACASA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@@](C)(C[N@@H+](CC(F)F)C1CC1)OC ZINC000638057422 351933616 /nfs/dbraw/zinc/93/36/16/351933616.db2.gz VQRVKZYJPMIZFU-NSHDSACASA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876145 191150768 /nfs/dbraw/zinc/15/07/68/191150768.db2.gz GPKOMLNCMUWZDO-RISCZKNCSA-N 1 2 243.310 2.709 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cocn1 ZINC000290288812 352219044 /nfs/dbraw/zinc/21/90/44/352219044.db2.gz ACVCTDLXTXBOEL-ZDUSSCGKSA-N 1 2 231.299 2.653 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cocn1 ZINC000290288812 352219047 /nfs/dbraw/zinc/21/90/47/352219047.db2.gz ACVCTDLXTXBOEL-ZDUSSCGKSA-N 1 2 231.299 2.653 20 0 BFADLO c1[nH+]c2c(cc1N[C@@H]1CCCOC1)CCCC2 ZINC000335985943 538102406 /nfs/dbraw/zinc/10/24/06/538102406.db2.gz FZNLXPJQDRLYJF-GFCCVEGCSA-N 1 2 232.327 2.551 20 0 BFADLO CC[N@H+](Cc1[nH]ncc1C)[C@H](C)c1cccnc1 ZINC000291503027 352277525 /nfs/dbraw/zinc/27/75/25/352277525.db2.gz HORASCGECLLGBK-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1[nH]ncc1C)[C@H](C)c1cccnc1 ZINC000291503027 352277527 /nfs/dbraw/zinc/27/75/27/352277527.db2.gz HORASCGECLLGBK-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@H+](Cc1n[nH]cc1C)[C@H](C)c1cccnc1 ZINC000291503027 352277530 /nfs/dbraw/zinc/27/75/30/352277530.db2.gz HORASCGECLLGBK-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1n[nH]cc1C)[C@H](C)c1cccnc1 ZINC000291503027 352277533 /nfs/dbraw/zinc/27/75/33/352277533.db2.gz HORASCGECLLGBK-GFCCVEGCSA-N 1 2 244.342 2.696 20 0 BFADLO Cc1scc(C[NH+]2CC3(C2)CCCO3)c1C ZINC000630077195 363176232 /nfs/dbraw/zinc/17/62/32/363176232.db2.gz QPFRNFCJYDYCKJ-UHFFFAOYSA-N 1 2 237.368 2.730 20 0 BFADLO Fc1cccc(Cl)c1C[N@@H+]1CCCOCC1 ZINC000334185653 352294162 /nfs/dbraw/zinc/29/41/62/352294162.db2.gz GEPRZORQCITYJW-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1cccc(Cl)c1C[N@H+]1CCCOCC1 ZINC000334185653 352294165 /nfs/dbraw/zinc/29/41/65/352294165.db2.gz GEPRZORQCITYJW-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[NH+]1CCCC1 ZINC000109530556 187662114 /nfs/dbraw/zinc/66/21/14/187662114.db2.gz QUURKUUAGBGWES-UHFFFAOYSA-N 1 2 235.331 2.713 20 0 BFADLO CC(C)(CF)[NH2+]Cc1csc(C2CC2)n1 ZINC000336675401 187649036 /nfs/dbraw/zinc/64/90/36/187649036.db2.gz AJGGGKBDEFAEEW-UHFFFAOYSA-N 1 2 228.336 2.858 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccc(C)cc1C)C(=O)OC ZINC000411437258 191185724 /nfs/dbraw/zinc/18/57/24/191185724.db2.gz HRMDIVNISJTBNW-OAHLLOKOSA-N 1 2 249.354 2.735 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000294695010 352383023 /nfs/dbraw/zinc/38/30/23/352383023.db2.gz XRMMPHQBTNEVCO-MNOVXSKESA-N 1 2 248.326 2.855 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)n1 ZINC000073637186 352552511 /nfs/dbraw/zinc/55/25/11/352552511.db2.gz SHCFWODCSDKKPY-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO c1coc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000045205926 352588267 /nfs/dbraw/zinc/58/82/67/352588267.db2.gz UGIVONMJCAUJSO-UHFFFAOYSA-N 1 2 248.351 2.905 20 0 BFADLO C[C@H]1C[C@@H]1N(Cc1c[nH+]cn1C)c1ccccc1 ZINC000411930005 191229467 /nfs/dbraw/zinc/22/94/67/191229467.db2.gz YMAXCPCRZHJKTK-WFASDCNBSA-N 1 2 241.338 2.835 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1c1noc(C[NH+](C)C)n1 ZINC000341163588 352693155 /nfs/dbraw/zinc/69/31/55/352693155.db2.gz DGKHOWAKLRGCBV-MNOVXSKESA-N 1 2 237.347 2.815 20 0 BFADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)sn1 ZINC000638758849 352695278 /nfs/dbraw/zinc/69/52/78/352695278.db2.gz BGPWKZPTAGAUSB-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC[N@H+](Cc1occc1C)Cc1ncc(C)cn1 ZINC000412023301 191237961 /nfs/dbraw/zinc/23/79/61/191237961.db2.gz BVIAPWBRFDUEHL-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1occc1C)Cc1ncc(C)cn1 ZINC000412023301 191237962 /nfs/dbraw/zinc/23/79/62/191237962.db2.gz BVIAPWBRFDUEHL-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@@H](C)c1nnc(C)[nH]1 ZINC000412032695 191242369 /nfs/dbraw/zinc/24/23/69/191242369.db2.gz ZQLMPMIHODRXHW-JTQLQIEISA-N 1 2 248.330 2.598 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@@H](C)c1nnc(C)[nH]1 ZINC000412032695 191242371 /nfs/dbraw/zinc/24/23/71/191242371.db2.gz ZQLMPMIHODRXHW-JTQLQIEISA-N 1 2 248.330 2.598 20 0 BFADLO Cc1nc(NCc2ccc([C@H]3C[C@H]3C)o2)cc[nH+]1 ZINC000608080189 352725891 /nfs/dbraw/zinc/72/58/91/352725891.db2.gz LTELWOVVURMZPO-SKDRFNHKSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1nc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc[nH+]1 ZINC000608080187 352726015 /nfs/dbraw/zinc/72/60/15/352726015.db2.gz LTELWOVVURMZPO-CABZTGNLSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1[nH+]cccc1NCc1cc(C2CC2)no1 ZINC000638786689 352742729 /nfs/dbraw/zinc/74/27/29/352742729.db2.gz PVICTFVBZDYNJE-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cn1cc[nH+]c1CSc1ccc(F)cc1 ZINC000334182594 352770827 /nfs/dbraw/zinc/77/08/27/352770827.db2.gz FZIBLIIWJMSGNR-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO CC(C)[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000334220698 352823871 /nfs/dbraw/zinc/82/38/71/352823871.db2.gz RZCWEXWZNYZZPD-JTQLQIEISA-N 1 2 231.299 2.565 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(F)F)c(C)[nH+]1 ZINC000334191044 352782083 /nfs/dbraw/zinc/78/20/83/352782083.db2.gz ICVHWBAZFSPKQV-IUCAKERBSA-N 1 2 240.253 2.538 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000334240917 352828593 /nfs/dbraw/zinc/82/85/93/352828593.db2.gz MQIMRRIMULXJHX-MNOVXSKESA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000334240917 352828597 /nfs/dbraw/zinc/82/85/97/352828597.db2.gz MQIMRRIMULXJHX-MNOVXSKESA-N 1 2 249.358 2.742 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334201563 352794663 /nfs/dbraw/zinc/79/46/63/352794663.db2.gz OGRYTMRVPZYZFC-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(C(C)(C)C)o1 ZINC000334201563 352794665 /nfs/dbraw/zinc/79/46/65/352794665.db2.gz OGRYTMRVPZYZFC-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO C[N@H+](Cc1ccsc1Cl)[C@H]1CCOC1 ZINC000334211737 352809268 /nfs/dbraw/zinc/80/92/68/352809268.db2.gz QCDBPMXLJSSYFG-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1ccsc1Cl)[C@H]1CCOC1 ZINC000334211737 352809269 /nfs/dbraw/zinc/80/92/69/352809269.db2.gz QCDBPMXLJSSYFG-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO C/C=C/C[C@H]([NH2+]C1CC(CC)C1)C(=O)OCC ZINC000342854353 352876183 /nfs/dbraw/zinc/87/61/83/352876183.db2.gz QGSSRJUDCLLGGM-ODUKZXMISA-N 1 2 239.359 2.663 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nccn2C(F)F)C1 ZINC000334245700 352835699 /nfs/dbraw/zinc/83/56/99/352835699.db2.gz GGWRXJOOPUNEAV-VIFPVBQESA-N 1 2 241.285 2.676 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nccn2C(F)F)C1 ZINC000334245700 352835701 /nfs/dbraw/zinc/83/57/01/352835701.db2.gz GGWRXJOOPUNEAV-VIFPVBQESA-N 1 2 241.285 2.676 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000334247767 352838774 /nfs/dbraw/zinc/83/87/74/352838774.db2.gz WKJIWTDGCYVNKB-LLVKDONJSA-N 1 2 232.327 2.577 20 0 BFADLO C[N@H+](CCCCCF)Cc1noc(C2CC2)n1 ZINC000412067385 191258603 /nfs/dbraw/zinc/25/86/03/191258603.db2.gz DAWOGUFUIQBYFB-UHFFFAOYSA-N 1 2 241.310 2.519 20 0 BFADLO C[N@@H+](CCCCCF)Cc1noc(C2CC2)n1 ZINC000412067385 191258605 /nfs/dbraw/zinc/25/86/05/191258605.db2.gz DAWOGUFUIQBYFB-UHFFFAOYSA-N 1 2 241.310 2.519 20 0 BFADLO Cc1csc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000334322663 352960322 /nfs/dbraw/zinc/96/03/22/352960322.db2.gz IULIXPLAOAVCPY-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@]2(C)c2ccccc2)cc[nH+]1 ZINC000608089018 353109198 /nfs/dbraw/zinc/10/91/98/353109198.db2.gz AJASJDBOEWQPRR-HIFRSBDPSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(C)cc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000279148731 188030425 /nfs/dbraw/zinc/03/04/25/188030425.db2.gz HCMZVGWMKZEAGB-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CC1=C(C(=O)Nc2ccc[nH+]c2N(C)C)CCC1 ZINC000336623278 188058239 /nfs/dbraw/zinc/05/82/39/188058239.db2.gz CVZTXNMDQOLRNL-UHFFFAOYSA-N 1 2 245.326 2.587 20 0 BFADLO CCCN(C[C@@H]1CCCCO1)c1cc(C)[nH+]cn1 ZINC000301238893 188232674 /nfs/dbraw/zinc/23/26/74/188232674.db2.gz FHZPSSUCAWUYBO-ZDUSSCGKSA-N 1 2 249.358 2.571 20 0 BFADLO CC(C)[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000125174097 188257725 /nfs/dbraw/zinc/25/77/25/188257725.db2.gz AODGNLARILQULL-SECBINFHSA-N 1 2 248.248 2.529 20 0 BFADLO COc1ccc(N[C@@H]2CCC[C@@H]2C)[nH+]c1 ZINC000225894266 538114504 /nfs/dbraw/zinc/11/45/04/538114504.db2.gz JGSOKNXQWZDTGZ-GXSJLCMTSA-N 1 2 206.289 2.691 20 0 BFADLO COc1ccc(N[C@H]2CCC[C@H]2C)[nH+]c1 ZINC000225894315 538114631 /nfs/dbraw/zinc/11/46/31/538114631.db2.gz JGSOKNXQWZDTGZ-KOLCDFICSA-N 1 2 206.289 2.691 20 0 BFADLO CC(C)COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000027528900 188283071 /nfs/dbraw/zinc/28/30/71/188283071.db2.gz NRYDFYCHTGHTEI-UHFFFAOYSA-N 1 2 249.354 2.554 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](O)C1CCCCC1 ZINC000190499456 353359369 /nfs/dbraw/zinc/35/93/69/353359369.db2.gz IJMAKNPIVPERTL-LBPRGKRZSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](O)C1CCCCC1 ZINC000190499456 353359372 /nfs/dbraw/zinc/35/93/72/353359372.db2.gz IJMAKNPIVPERTL-LBPRGKRZSA-N 1 2 249.345 2.905 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(F)(F)F ZINC000309569205 188345768 /nfs/dbraw/zinc/34/57/68/188345768.db2.gz NDRMMXJSUGLVDR-AEJSXWLSSA-N 1 2 239.281 2.588 20 0 BFADLO Nc1cc(-c2cccc(Cl)c2)cc[nH+]1 ZINC000082379989 188352448 /nfs/dbraw/zinc/35/24/48/188352448.db2.gz VUTQTWHDEOWPMO-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO CCCCOCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353174550 188376986 /nfs/dbraw/zinc/37/69/86/188376986.db2.gz QOJOPQBPPVYYDU-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCCCOCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353174550 188376988 /nfs/dbraw/zinc/37/69/88/188376988.db2.gz QOJOPQBPPVYYDU-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)[N@H+](Cc1cnc[nH]1)Cc1cccs1 ZINC000280468920 188384088 /nfs/dbraw/zinc/38/40/88/188384088.db2.gz MSNUKUAYOJKAPQ-UHFFFAOYSA-N 1 2 235.356 2.882 20 0 BFADLO CC(C)[N@@H+](Cc1cnc[nH]1)Cc1cccs1 ZINC000280468920 188384090 /nfs/dbraw/zinc/38/40/90/188384090.db2.gz MSNUKUAYOJKAPQ-UHFFFAOYSA-N 1 2 235.356 2.882 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCC=C(F)C1 ZINC000281532588 188384690 /nfs/dbraw/zinc/38/46/90/188384690.db2.gz IFYYXTOUBTWHST-UHFFFAOYSA-N 1 2 237.322 2.832 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@H+]1CCC=C(F)C1 ZINC000281532588 188384692 /nfs/dbraw/zinc/38/46/92/188384692.db2.gz IFYYXTOUBTWHST-UHFFFAOYSA-N 1 2 237.322 2.832 20 0 BFADLO CC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639095975 353483363 /nfs/dbraw/zinc/48/33/63/353483363.db2.gz YOQSXFPKJPASKO-JXUBOQSCSA-N 1 2 221.266 2.963 20 0 BFADLO CC[C@H]([NH2+]CCC1CCOCC1)C(F)(F)F ZINC000639095765 353483499 /nfs/dbraw/zinc/48/34/99/353483499.db2.gz VIIVMKLHRZUZMI-JTQLQIEISA-N 1 2 239.281 2.734 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000295544161 188393810 /nfs/dbraw/zinc/39/38/10/188393810.db2.gz GQMAPVYWUWLSQE-LBPRGKRZSA-N 1 2 249.358 2.593 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1cncs1)CC2 ZINC000093383720 180987777 /nfs/dbraw/zinc/98/77/77/180987777.db2.gz SENREWLRYLBDJT-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1cncs1)CC2 ZINC000093383720 180987778 /nfs/dbraw/zinc/98/77/78/180987778.db2.gz SENREWLRYLBDJT-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Cc1cccc(C(=O)Nc2c(C)cc[nH+]c2C)n1 ZINC000334515935 353614460 /nfs/dbraw/zinc/61/44/60/353614460.db2.gz ZMPRTGPDQFDWNG-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Fc1cccc2c1C[N@H+](CCc1cscn1)C2 ZINC000335155418 181006405 /nfs/dbraw/zinc/00/64/05/181006405.db2.gz NAHHIIBCDXOPRS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc2c1C[N@@H+](CCc1cscn1)C2 ZINC000335155418 181006406 /nfs/dbraw/zinc/00/64/06/181006406.db2.gz NAHHIIBCDXOPRS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ccon1 ZINC000353821361 353800978 /nfs/dbraw/zinc/80/09/78/353800978.db2.gz KPICBXQQTUMJPR-NSCUHMNNSA-N 1 2 246.285 2.959 20 0 BFADLO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ccon1 ZINC000353821361 353800979 /nfs/dbraw/zinc/80/09/79/353800979.db2.gz KPICBXQQTUMJPR-NSCUHMNNSA-N 1 2 246.285 2.959 20 0 BFADLO Cc1cc(NC(=O)c2ccccc2C)cc[nH+]1 ZINC000010163121 353788550 /nfs/dbraw/zinc/78/85/50/353788550.db2.gz IGFXEQRNOLOMBA-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000343778529 353987962 /nfs/dbraw/zinc/98/79/62/353987962.db2.gz KVCCGPNCZODGCF-JOYOIKCWSA-N 1 2 231.343 2.874 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000343785367 353989858 /nfs/dbraw/zinc/98/98/58/353989858.db2.gz HKXUJZYYELQWFA-CYBMUJFWSA-N 1 2 227.311 2.652 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334552470 353993027 /nfs/dbraw/zinc/99/30/27/353993027.db2.gz BXEYOPAOPPZLPP-VXGBXAGGSA-N 1 2 232.327 2.991 20 0 BFADLO CC(C)(C)OC(=O)CCC[N@@H+]1CCC=C(F)C1 ZINC000343720856 353958452 /nfs/dbraw/zinc/95/84/52/353958452.db2.gz BIDYRYZRWQOECX-UHFFFAOYSA-N 1 2 243.322 2.667 20 0 BFADLO CC(C)(C)OC(=O)CCC[N@H+]1CCC=C(F)C1 ZINC000343720856 353958455 /nfs/dbraw/zinc/95/84/55/353958455.db2.gz BIDYRYZRWQOECX-UHFFFAOYSA-N 1 2 243.322 2.667 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000343802748 354005826 /nfs/dbraw/zinc/00/58/26/354005826.db2.gz DZFVCCVXHXNGLY-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000343802748 354005830 /nfs/dbraw/zinc/00/58/30/354005830.db2.gz DZFVCCVXHXNGLY-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@@H]1CCC1(C)C ZINC000343816665 354013134 /nfs/dbraw/zinc/01/31/34/354013134.db2.gz ZRLAKXOYXFEUJH-LLVKDONJSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cnccn1 ZINC000334565660 354086046 /nfs/dbraw/zinc/08/60/46/354086046.db2.gz QCXNPINHIFEHSJ-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnccn1 ZINC000334565660 354086048 /nfs/dbraw/zinc/08/60/48/354086048.db2.gz QCXNPINHIFEHSJ-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)ccn1 ZINC000334566978 354088965 /nfs/dbraw/zinc/08/89/65/354088965.db2.gz XMXGACLBDMFUKB-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@H]2CC=CCC2)no1 ZINC000344065476 354130421 /nfs/dbraw/zinc/13/04/21/354130421.db2.gz OKKUPOXJOXBMDZ-LBPRGKRZSA-N 1 2 249.358 2.810 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@H]2CC=CCC2)no1 ZINC000344065476 354130424 /nfs/dbraw/zinc/13/04/24/354130424.db2.gz OKKUPOXJOXBMDZ-LBPRGKRZSA-N 1 2 249.358 2.810 20 0 BFADLO c1cc(C[N@H+](Cc2cccnc2)C2CC2)sn1 ZINC000639178456 354254414 /nfs/dbraw/zinc/25/44/14/354254414.db2.gz JGBXELLOPVQYEB-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1cc(C[N@@H+](Cc2cccnc2)C2CC2)sn1 ZINC000639178456 354254417 /nfs/dbraw/zinc/25/44/17/354254417.db2.gz JGBXELLOPVQYEB-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccoc1 ZINC000178790511 366164104 /nfs/dbraw/zinc/16/41/04/366164104.db2.gz REAHZQDFLORCEJ-GFCCVEGCSA-N 1 2 247.342 2.983 20 0 BFADLO FC(F)(F)[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000639187390 354381496 /nfs/dbraw/zinc/38/14/96/354381496.db2.gz MGUYSJIPCJOMME-VFRUTBLMSA-N 1 2 233.277 2.963 20 0 BFADLO FC(F)C1([NH2+]Cc2ccns2)CCCC1 ZINC000639187052 354381501 /nfs/dbraw/zinc/38/15/01/354381501.db2.gz YHSFMFYQPHQIJC-UHFFFAOYSA-N 1 2 232.299 2.811 20 0 BFADLO Cc1cn2cc(NC(=O)C3=CCCC3)ccc2[nH+]1 ZINC000334629196 354371707 /nfs/dbraw/zinc/37/17/07/354371707.db2.gz UYACXSBZWLPRIH-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO Cc1nc2[nH]ccc2c(N2[C@H](C)CC[C@H]2C)[nH+]1 ZINC000334630248 354372886 /nfs/dbraw/zinc/37/28/86/354372886.db2.gz KFOIBHWNMFFCGU-RKDXNWHRSA-N 1 2 230.315 2.644 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1CCCC1 ZINC000334644675 354402845 /nfs/dbraw/zinc/40/28/45/354402845.db2.gz DTLCZRAJRDRPRV-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000179150518 366211543 /nfs/dbraw/zinc/21/15/43/366211543.db2.gz YVWFZLPDTWLAEG-ZDUSSCGKSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000179150518 366211545 /nfs/dbraw/zinc/21/15/45/366211545.db2.gz YVWFZLPDTWLAEG-ZDUSSCGKSA-N 1 2 237.318 2.827 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000334663036 354463226 /nfs/dbraw/zinc/46/32/26/354463226.db2.gz MCRJRAWPKARGPS-AOOOYVTPSA-N 1 2 217.316 2.650 20 0 BFADLO Cc1cc(N2[C@@H](C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000334663043 354463230 /nfs/dbraw/zinc/46/32/30/354463230.db2.gz MCRJRAWPKARGPS-UWVGGRQHSA-N 1 2 217.316 2.650 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]1C1CC1 ZINC000334689084 354477872 /nfs/dbraw/zinc/47/78/72/354477872.db2.gz JNGTUCHYDFAUNA-GFCCVEGCSA-N 1 2 245.326 2.715 20 0 BFADLO CC(C)OC1CC([N@@H+]2CC[C@@H](C)C(F)(F)C2)C1 ZINC000334726939 354527093 /nfs/dbraw/zinc/52/70/93/354527093.db2.gz UKOPPAMGQFFYST-VOMCLLRMSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)OC1CC([N@H+]2CC[C@@H](C)C(F)(F)C2)C1 ZINC000334726939 354527095 /nfs/dbraw/zinc/52/70/95/354527095.db2.gz UKOPPAMGQFFYST-VOMCLLRMSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C1CCC1 ZINC000334728949 354528662 /nfs/dbraw/zinc/52/86/62/354528662.db2.gz VCWNTXDWROCVNN-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO C[C@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)C1CCC1 ZINC000334712452 354509946 /nfs/dbraw/zinc/50/99/46/354509946.db2.gz QBKFVFRIXGRDTM-CMPLNLGQSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1ccc(NCc2ccc3c(n2)CCC3)c[nH+]1 ZINC000334723213 354523079 /nfs/dbraw/zinc/52/30/79/354523079.db2.gz SNVUCXWDYNXHRQ-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1ccoc1 ZINC000087290255 491067721 /nfs/dbraw/zinc/06/77/21/491067721.db2.gz DLIGAOQPILLMKD-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO CC[C@H]1CC[C@H](C)N1c1cc(C)[nH+]cn1 ZINC000335946306 134020295 /nfs/dbraw/zinc/02/02/95/134020295.db2.gz UZRYKMGZNQXQRV-QWRGUYRKSA-N 1 2 205.305 2.552 20 0 BFADLO Clc1ccc2c(c1)CN(CCn1cc[nH+]c1)C2 ZINC000335168071 354928263 /nfs/dbraw/zinc/92/82/63/354928263.db2.gz PDUDCNBKVZPSGT-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](CCn1ccnc1)C2 ZINC000335168071 354928267 /nfs/dbraw/zinc/92/82/67/354928267.db2.gz PDUDCNBKVZPSGT-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](CCn1ccnc1)C2 ZINC000335168071 354928270 /nfs/dbraw/zinc/92/82/70/354928270.db2.gz PDUDCNBKVZPSGT-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO CC[C@@H](COC)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346456951 354948700 /nfs/dbraw/zinc/94/87/00/354948700.db2.gz CIMCRCFEQPNWGL-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO Fc1ccc(-c2cc(Cn3cc[nH+]c3)on2)cc1 ZINC000346622724 354995444 /nfs/dbraw/zinc/99/54/44/354995444.db2.gz RUNOVUZXFOPVES-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000335211856 355048859 /nfs/dbraw/zinc/04/88/59/355048859.db2.gz YVCHDDVTINQOOD-NSHDSACASA-N 1 2 247.342 2.927 20 0 BFADLO Cc1cc(NC(=O)C2CCC(C)(C)CC2)cc[nH+]1 ZINC000346844293 355134356 /nfs/dbraw/zinc/13/43/56/355134356.db2.gz OHGDWTOUFQGGLL-UHFFFAOYSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1ccc(NC(=O)c2ccncc2C)c(C)[nH+]1 ZINC000335253817 355211756 /nfs/dbraw/zinc/21/17/56/355211756.db2.gz BDWPLUZOBXJZQO-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@]2(C)CCCO2)c(C)[nH+]1 ZINC000335251739 355173971 /nfs/dbraw/zinc/17/39/71/355173971.db2.gz JTRKATIKOSPTEX-CQSZACIVSA-N 1 2 248.326 2.514 20 0 BFADLO c1cc(CNc2cc(NC3CC3)[nH+]cn2)cs1 ZINC000413053494 191351908 /nfs/dbraw/zinc/35/19/08/191351908.db2.gz JPBGSXFWGRQITQ-UHFFFAOYSA-N 1 2 246.339 2.725 20 0 BFADLO c1cc(CNc2cc(NC3CC3)nc[nH+]2)cs1 ZINC000413053494 191351911 /nfs/dbraw/zinc/35/19/11/191351911.db2.gz JPBGSXFWGRQITQ-UHFFFAOYSA-N 1 2 246.339 2.725 20 0 BFADLO c1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc(NC2CC2)[nH+]1 ZINC000413466654 191383822 /nfs/dbraw/zinc/38/38/22/191383822.db2.gz YJDYTIIBACUYCK-USWWRNFRSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(NC2CC2)cc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000413466654 191383825 /nfs/dbraw/zinc/38/38/25/191383825.db2.gz YJDYTIIBACUYCK-USWWRNFRSA-N 1 2 244.342 2.651 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC(C)(C)C[C@@H]2C)[nH+]1 ZINC000413560026 191397305 /nfs/dbraw/zinc/39/73/05/191397305.db2.gz KOLATJHARDHFPD-VIFPVBQESA-N 1 2 244.342 2.891 20 0 BFADLO COc1cccc2c1C[C@@H](Nc1cccc[nH+]1)C2 ZINC000413424890 191378904 /nfs/dbraw/zinc/37/89/04/191378904.db2.gz GZTHFJCKTKLNPA-LBPRGKRZSA-N 1 2 240.306 2.670 20 0 BFADLO COc1cccc2c1C[C@H](Nc1cccc[nH+]1)C2 ZINC000413424889 191379127 /nfs/dbraw/zinc/37/91/27/191379127.db2.gz GZTHFJCKTKLNPA-GFCCVEGCSA-N 1 2 240.306 2.670 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccon1 ZINC000349239835 355374240 /nfs/dbraw/zinc/37/42/40/355374240.db2.gz LJTQOVCKUGCRTH-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccon1 ZINC000349243524 355375346 /nfs/dbraw/zinc/37/53/46/355375346.db2.gz MZHCCIPXMHAVPW-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO CC[C@](C)(C[N@@H+]1CCCC(F)(F)C1)OC ZINC000639290036 355443032 /nfs/dbraw/zinc/44/30/32/355443032.db2.gz QLFDYFXWILFLFR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@](C)(C[N@H+]1CCCC(F)(F)C1)OC ZINC000639290036 355443035 /nfs/dbraw/zinc/44/30/35/355443035.db2.gz QLFDYFXWILFLFR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@H](C[N@@H+]1CCCC(F)(F)C1)OC ZINC000639288681 355399585 /nfs/dbraw/zinc/39/95/85/355399585.db2.gz JVLYPOTWYFTVHC-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@H](C[N@H+]1CCCC(F)(F)C1)OC ZINC000639288681 355399588 /nfs/dbraw/zinc/39/95/88/355399588.db2.gz JVLYPOTWYFTVHC-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccon1 ZINC000349835276 355490190 /nfs/dbraw/zinc/49/01/90/355490190.db2.gz PRNDVBPNUYMVOQ-DTWKUNHWSA-N 1 2 235.262 2.621 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CS[C@H](C)C1 ZINC000639294105 355553589 /nfs/dbraw/zinc/55/35/89/355553589.db2.gz IQMPKCGLCMVGTQ-KOLCDFICSA-N 1 2 222.357 2.950 20 0 BFADLO C[NH2+]Cc1noc([C@@H](C)CC2CCCCC2)n1 ZINC000349876837 355515695 /nfs/dbraw/zinc/51/56/95/355515695.db2.gz DHNHGNCASUXIAR-JTQLQIEISA-N 1 2 237.347 2.863 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)[C@@H]1CCCO1 ZINC000639292972 355524616 /nfs/dbraw/zinc/52/46/16/355524616.db2.gz POYIGXJRIHKYPU-ZJUUUORDSA-N 1 2 238.356 2.783 20 0 BFADLO CCCC[C@@H](CC)Cc1nc(C[NH2+]C)no1 ZINC000349922001 355528396 /nfs/dbraw/zinc/52/83/96/355528396.db2.gz PKSVSIMATDODRX-SNVBAGLBSA-N 1 2 225.336 2.548 20 0 BFADLO CCc1cc[nH+]cc1NCC1(COC)CCC1 ZINC000639294724 355573365 /nfs/dbraw/zinc/57/33/65/355573365.db2.gz LQTSQZJALBMDGT-UHFFFAOYSA-N 1 2 234.343 2.873 20 0 BFADLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000335752917 181203533 /nfs/dbraw/zinc/20/35/33/181203533.db2.gz WQKKHJRHFVSAJC-QMMMGPOBSA-N 1 2 244.747 2.901 20 0 BFADLO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccsc1Cl ZINC000335752917 181203534 /nfs/dbraw/zinc/20/35/34/181203534.db2.gz WQKKHJRHFVSAJC-QMMMGPOBSA-N 1 2 244.747 2.901 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000449762957 202026561 /nfs/dbraw/zinc/02/65/61/202026561.db2.gz NFBQOLXUBYEDRF-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000449762957 202026564 /nfs/dbraw/zinc/02/65/64/202026564.db2.gz NFBQOLXUBYEDRF-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CS[C@H](C)C2)c1 ZINC000639313175 355684609 /nfs/dbraw/zinc/68/46/09/355684609.db2.gz PCLDCSQWEQAFDF-KOLCDFICSA-N 1 2 238.356 2.534 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000639313277 355685191 /nfs/dbraw/zinc/68/51/91/355685191.db2.gz PCLDCSQWEQAFDF-ONGXEEELSA-N 1 2 238.356 2.534 20 0 BFADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CCCCO1 ZINC000639362331 355817024 /nfs/dbraw/zinc/81/70/24/355817024.db2.gz CLZJSXQBEKXZIJ-FZMZJTMJSA-N 1 2 249.358 2.517 20 0 BFADLO Clc1snnc1C[NH+]1CCCCCCC1 ZINC000035165113 355862605 /nfs/dbraw/zinc/86/26/05/355862605.db2.gz KRUJJZUQOQVBRF-UHFFFAOYSA-N 1 2 245.779 2.958 20 0 BFADLO Cc1ccc(F)cc1CNc1cccc(CO)[nH+]1 ZINC000351328200 355980107 /nfs/dbraw/zinc/98/01/07/355980107.db2.gz MYWGWDUSHCWHKQ-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000639385912 355981428 /nfs/dbraw/zinc/98/14/28/355981428.db2.gz DVTJCSKJYFFFDH-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO CC1(C)C[NH+](Cc2nccn2-c2ccccc2)C1 ZINC000639393096 356065417 /nfs/dbraw/zinc/06/54/17/356065417.db2.gz FVCKEZOHLGISER-UHFFFAOYSA-N 1 2 241.338 2.714 20 0 BFADLO C[C@]1(F)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000335915878 356155747 /nfs/dbraw/zinc/15/57/47/356155747.db2.gz MQILUNNHXRJFSV-ZDUSSCGKSA-N 1 2 231.274 2.568 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1)C(F)F ZINC000228480996 491088350 /nfs/dbraw/zinc/08/83/50/491088350.db2.gz CPLGNCGOWACULZ-ZETCQYMHSA-N 1 2 203.207 2.569 20 0 BFADLO CCN1C(=O)C(C)(C)[NH2+][C@]12CCCC(C)(C)C2 ZINC000639428497 356209639 /nfs/dbraw/zinc/20/96/39/356209639.db2.gz VZMWNOFIGVRLHC-CQSZACIVSA-N 1 2 238.375 2.513 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@H]1CCCCO1 ZINC000639460898 356244866 /nfs/dbraw/zinc/24/48/66/356244866.db2.gz YZADFGGLHSHSIS-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000639460898 356244869 /nfs/dbraw/zinc/24/48/69/356244869.db2.gz YZADFGGLHSHSIS-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCc1nc(C)c([C@@H](C)[N@H+](C)CC(C)=O)s1 ZINC000639494713 356314742 /nfs/dbraw/zinc/31/47/42/356314742.db2.gz DNOMCQKPZVKPQJ-SNVBAGLBSA-N 1 2 240.372 2.596 20 0 BFADLO CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(C)=O)s1 ZINC000639494713 356314744 /nfs/dbraw/zinc/31/47/44/356314744.db2.gz DNOMCQKPZVKPQJ-SNVBAGLBSA-N 1 2 240.372 2.596 20 0 BFADLO CCC(F)(F)CN1CCC(n2cc[nH+]c2)CC1 ZINC000639514842 356355857 /nfs/dbraw/zinc/35/58/57/356355857.db2.gz RLSSPQSQTXALGH-UHFFFAOYSA-N 1 2 243.301 2.565 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCOC(C)(C)C ZINC000639520934 356367054 /nfs/dbraw/zinc/36/70/54/356367054.db2.gz XRCBUMISQFMWSL-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCOC(C)(C)C ZINC000639520934 356367057 /nfs/dbraw/zinc/36/70/57/356367057.db2.gz XRCBUMISQFMWSL-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO Cc1cc(C)c(NC(=O)NCC2CC2)c(C)[nH+]1 ZINC000336145375 134102112 /nfs/dbraw/zinc/10/21/12/134102112.db2.gz LZCBVMMVRNLXNT-UHFFFAOYSA-N 1 2 233.315 2.538 20 0 BFADLO Cc1cc(N(C)C2CC(OC(C)(C)C)C2)nc[nH+]1 ZINC000420624193 192250721 /nfs/dbraw/zinc/25/07/21/192250721.db2.gz IXDNNBLTOCCNMN-UHFFFAOYSA-N 1 2 249.358 2.567 20 0 BFADLO CC(=O)C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000639554150 356456789 /nfs/dbraw/zinc/45/67/89/356456789.db2.gz KLELOHDZOUSHFM-UHFFFAOYSA-N 1 2 247.313 2.894 20 0 BFADLO CC[C@@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000420647610 192255656 /nfs/dbraw/zinc/25/56/56/192255656.db2.gz CDOZZBXWTIXXNY-SECBINFHSA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000420647610 192255657 /nfs/dbraw/zinc/25/56/57/192255657.db2.gz CDOZZBXWTIXXNY-SECBINFHSA-N 1 2 220.320 2.509 20 0 BFADLO COC(=O)[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1 ZINC000609805101 356474350 /nfs/dbraw/zinc/47/43/50/356474350.db2.gz DFWZQKBEUNZUGX-SMDDNHRTSA-N 1 2 247.338 2.536 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](CCO)c1ccccc1 ZINC000639561785 356476298 /nfs/dbraw/zinc/47/62/98/356476298.db2.gz IZDLQRIGYYGYBJ-GFCCVEGCSA-N 1 2 243.297 2.745 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420901371 192267971 /nfs/dbraw/zinc/26/79/71/192267971.db2.gz KXTNBDREJVIIFF-SECBINFHSA-N 1 2 229.755 2.694 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420901371 192267974 /nfs/dbraw/zinc/26/79/74/192267974.db2.gz KXTNBDREJVIIFF-SECBINFHSA-N 1 2 229.755 2.694 20 0 BFADLO CC[C@H]1C[NH+](Cc2cscn2)C[C@H](CC)O1 ZINC000420944998 192276544 /nfs/dbraw/zinc/27/65/44/192276544.db2.gz JYEKSBHCPRYEKD-RYUDHWBXSA-N 1 2 240.372 2.533 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000420952869 192278689 /nfs/dbraw/zinc/27/86/89/192278689.db2.gz SLNZYNAMFBRAFD-SECBINFHSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000420952869 192278692 /nfs/dbraw/zinc/27/86/92/192278692.db2.gz SLNZYNAMFBRAFD-SECBINFHSA-N 1 2 247.264 2.574 20 0 BFADLO Cc1cccc([N@@H+](C[C@H]2C[C@@H](O)C2)C(C)C)c1 ZINC000420932004 192287894 /nfs/dbraw/zinc/28/78/94/192287894.db2.gz GVEXZKSZWWKDGW-OTVXOJSOSA-N 1 2 233.355 2.981 20 0 BFADLO Cc1cccc([N@H+](C[C@H]2C[C@@H](O)C2)C(C)C)c1 ZINC000420932004 192287897 /nfs/dbraw/zinc/28/78/97/192287897.db2.gz GVEXZKSZWWKDGW-OTVXOJSOSA-N 1 2 233.355 2.981 20 0 BFADLO CC(C)[N@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420937066 192288437 /nfs/dbraw/zinc/28/84/37/192288437.db2.gz NCEQQNTXSSIYOK-XBXGTLAGSA-N 1 2 219.328 2.672 20 0 BFADLO CC(C)[N@@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420937066 192288438 /nfs/dbraw/zinc/28/84/38/192288438.db2.gz NCEQQNTXSSIYOK-XBXGTLAGSA-N 1 2 219.328 2.672 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000639625234 356538894 /nfs/dbraw/zinc/53/88/94/356538894.db2.gz RGBDEZUPKGQYAR-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000639625234 356538899 /nfs/dbraw/zinc/53/88/99/356538899.db2.gz RGBDEZUPKGQYAR-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCCC(C)(C)C1 ZINC000336201982 134130952 /nfs/dbraw/zinc/13/09/52/134130952.db2.gz XMDHXQYJYQGKDB-SECBINFHSA-N 1 2 225.361 2.721 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCCC(C)(C)C1 ZINC000336201982 134130953 /nfs/dbraw/zinc/13/09/53/134130953.db2.gz XMDHXQYJYQGKDB-SECBINFHSA-N 1 2 225.361 2.721 20 0 BFADLO CCCC[C@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000352270403 134129783 /nfs/dbraw/zinc/12/97/83/134129783.db2.gz GFVCFCQTFYWDJM-NSHDSACASA-N 1 2 245.338 2.590 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000639650087 356561796 /nfs/dbraw/zinc/56/17/96/356561796.db2.gz VYDYEGBMJQABML-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000639650087 356561799 /nfs/dbraw/zinc/56/17/99/356561799.db2.gz VYDYEGBMJQABML-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO CCCC[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421325919 192318009 /nfs/dbraw/zinc/31/80/09/192318009.db2.gz DVMUNDAYLOVBOO-UHFFFAOYSA-N 1 2 229.755 2.614 20 0 BFADLO CCCC[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421325919 192318011 /nfs/dbraw/zinc/31/80/11/192318011.db2.gz DVMUNDAYLOVBOO-UHFFFAOYSA-N 1 2 229.755 2.614 20 0 BFADLO c1coc([C@@H]2N(Cc3[nH]cc[nH+]3)CC23CCC3)c1 ZINC000336212103 134135177 /nfs/dbraw/zinc/13/51/77/134135177.db2.gz GQXYZXLHXFOICX-ZDUSSCGKSA-N 1 2 243.310 2.730 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000449890953 202049022 /nfs/dbraw/zinc/04/90/22/202049022.db2.gz IPGBJXPNDPYZRH-ABAIWWIYSA-N 1 2 246.354 2.831 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000639664693 356579614 /nfs/dbraw/zinc/57/96/14/356579614.db2.gz UBVOBMAITPMAOX-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000639664693 356579617 /nfs/dbraw/zinc/57/96/17/356579617.db2.gz UBVOBMAITPMAOX-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1cscn1 ZINC000381042620 538466959 /nfs/dbraw/zinc/46/69/59/538466959.db2.gz CPWBCBSERQWYJC-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CC[N@H+](CC(F)(F)CC)[C@@H]1CCCOC1 ZINC000639728706 356621736 /nfs/dbraw/zinc/62/17/36/356621736.db2.gz DIDLOVSPCBYBGR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC[N@@H+](CC(F)(F)CC)[C@@H]1CCCOC1 ZINC000639728706 356621738 /nfs/dbraw/zinc/62/17/38/356621738.db2.gz DIDLOVSPCBYBGR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO Cc1cc(C[N@@H+](C)CC2=CCCCC2)no1 ZINC000450253294 202109115 /nfs/dbraw/zinc/10/91/15/202109115.db2.gz NJZLQJPAZXHSTE-UHFFFAOYSA-N 1 2 220.316 2.915 20 0 BFADLO Cc1cc(C[N@H+](C)CC2=CCCCC2)no1 ZINC000450253294 202109118 /nfs/dbraw/zinc/10/91/18/202109118.db2.gz NJZLQJPAZXHSTE-UHFFFAOYSA-N 1 2 220.316 2.915 20 0 BFADLO CCC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000450315438 202128162 /nfs/dbraw/zinc/12/81/62/202128162.db2.gz DUJRNHLXSPLTGC-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO CCC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000450315438 202128164 /nfs/dbraw/zinc/12/81/64/202128164.db2.gz DUJRNHLXSPLTGC-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CCC(F)(F)C1 ZINC000450354068 202139615 /nfs/dbraw/zinc/13/96/15/202139615.db2.gz JCSMCMKVSSRXHU-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CCC(F)(F)C1 ZINC000450354068 202139618 /nfs/dbraw/zinc/13/96/18/202139618.db2.gz JCSMCMKVSSRXHU-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(C)(F)F ZINC000389443561 356672662 /nfs/dbraw/zinc/67/26/62/356672662.db2.gz LBLURACFCDNKGE-SECBINFHSA-N 1 2 245.317 2.771 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1)C(C)(F)F ZINC000389456397 356677813 /nfs/dbraw/zinc/67/78/13/356677813.db2.gz AJGMMFGBVNTJBN-QMMMGPOBSA-N 1 2 217.234 2.959 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@@H](C)C(C)(F)F ZINC000389480459 356687673 /nfs/dbraw/zinc/68/76/73/356687673.db2.gz FHSYPDDREPOQAI-VIFPVBQESA-N 1 2 231.290 2.597 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(C)(F)F ZINC000389482348 356688980 /nfs/dbraw/zinc/68/89/80/356688980.db2.gz HPBVVXVJPTXFRL-JGVFFNPUSA-N 1 2 232.249 2.915 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1)C(C)(F)F ZINC000389470163 356684177 /nfs/dbraw/zinc/68/41/77/356684177.db2.gz PPHRBMSXQOXSNC-QMMMGPOBSA-N 1 2 217.234 2.959 20 0 BFADLO CCc1nnc(C[N@@H+](CC)Cc2ccccc2)o1 ZINC000054115063 363561515 /nfs/dbraw/zinc/56/15/15/363561515.db2.gz PFURIZSFIUGMQN-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1nnc(C[N@H+](CC)Cc2ccccc2)o1 ZINC000054115063 363561521 /nfs/dbraw/zinc/56/15/21/363561521.db2.gz PFURIZSFIUGMQN-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000054172130 363563730 /nfs/dbraw/zinc/56/37/30/363563730.db2.gz OTJMOIFNCHDSAG-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000054172130 363563737 /nfs/dbraw/zinc/56/37/37/363563737.db2.gz OTJMOIFNCHDSAG-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450403564 202155053 /nfs/dbraw/zinc/15/50/53/202155053.db2.gz BIAFKHLWMBZMQZ-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450403564 202155056 /nfs/dbraw/zinc/15/50/56/202155056.db2.gz BIAFKHLWMBZMQZ-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO COc1cc[nH+]cc1CN(C)c1ccccc1 ZINC000346888767 538547752 /nfs/dbraw/zinc/54/77/52/538547752.db2.gz XFYUVFWSFNFVCW-UHFFFAOYSA-N 1 2 228.295 2.727 20 0 BFADLO CCc1nc(C[N@H+](C)Cc2ccc[nH]2)cs1 ZINC000354035101 356729390 /nfs/dbraw/zinc/72/93/90/356729390.db2.gz VWNVLUKMSJDDKZ-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1nc(C[N@@H+](C)Cc2ccc[nH]2)cs1 ZINC000354035101 356729392 /nfs/dbraw/zinc/72/93/92/356729392.db2.gz VWNVLUKMSJDDKZ-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO C[N@H+](Cc1ccon1)CC1=CCCCC1 ZINC000450430570 202166218 /nfs/dbraw/zinc/16/62/18/202166218.db2.gz SSMHPXKJJLZDCV-UHFFFAOYSA-N 1 2 206.289 2.607 20 0 BFADLO C[N@@H+](Cc1ccon1)CC1=CCCCC1 ZINC000450430570 202166220 /nfs/dbraw/zinc/16/62/20/202166220.db2.gz SSMHPXKJJLZDCV-UHFFFAOYSA-N 1 2 206.289 2.607 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000358505572 356870291 /nfs/dbraw/zinc/87/02/91/356870291.db2.gz KEWCOFDRXHLHAZ-NSHDSACASA-N 1 2 244.342 2.526 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cscn1 ZINC000358505424 356870696 /nfs/dbraw/zinc/87/06/96/356870696.db2.gz HXTYFDUNEAPQDX-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC(C)c1nc(N2CCC[C@](C)(F)C2)cc[nH+]1 ZINC000450559852 202196454 /nfs/dbraw/zinc/19/64/54/202196454.db2.gz QGTUHHSLPZAWRL-ZDUSSCGKSA-N 1 2 237.322 2.928 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000639884923 357161363 /nfs/dbraw/zinc/16/13/63/357161363.db2.gz OIXHQRBQFWLPOB-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000639884923 357161365 /nfs/dbraw/zinc/16/13/65/357161365.db2.gz OIXHQRBQFWLPOB-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cscn2)ccn1 ZINC000391209495 357126950 /nfs/dbraw/zinc/12/69/50/357126950.db2.gz VHEGWAYJFIUEEI-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Fc1ccc(CNc2c[nH]c[nH+]2)cc1Cl ZINC000393625963 357290878 /nfs/dbraw/zinc/29/08/78/357290878.db2.gz XOGOKZUSQQOCLR-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO c1[nH]cc(N[C@H]2CCC[C@@H](C3CC3)C2)[nH+]1 ZINC000393621723 357290934 /nfs/dbraw/zinc/29/09/34/357290934.db2.gz IPXOAAQLALXOKD-MNOVXSKESA-N 1 2 205.305 2.790 20 0 BFADLO CC(C)(C)[C@@H]([NH2+]CCCCCO)C(F)(F)F ZINC000393765492 357297686 /nfs/dbraw/zinc/29/76/86/357297686.db2.gz CJCZAHZQCQUBKE-SECBINFHSA-N 1 2 241.297 2.716 20 0 BFADLO c1cc2cc(C[NH+]3CC4(C3)CCCO4)ccc2o1 ZINC000628427687 357257145 /nfs/dbraw/zinc/25/71/45/357257145.db2.gz SZALMSQGCZUYOD-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO Cc1cc(NC(=O)N2[C@@H](C)CCC2(C)C)cc[nH+]1 ZINC000639899527 357277715 /nfs/dbraw/zinc/27/77/15/357277715.db2.gz BCFTWVRTFBVSLJ-NSHDSACASA-N 1 2 247.342 2.607 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+]CC(C)(F)F ZINC000393938207 357320964 /nfs/dbraw/zinc/32/09/64/357320964.db2.gz FGDBRFUIYMFZBS-UHFFFAOYSA-N 1 2 231.290 2.517 20 0 BFADLO C[C@@H](NCC(C)(F)F)c1cn2ccccc2[nH+]1 ZINC000582915484 357435447 /nfs/dbraw/zinc/43/54/47/357435447.db2.gz OSYYQTRJWUZSEN-SECBINFHSA-N 1 2 239.269 2.640 20 0 BFADLO CCc1cnc(C[N@@H+]2CCCc3occc3C2)o1 ZINC000582749234 357380849 /nfs/dbraw/zinc/38/08/49/357380849.db2.gz NFFXSDWECJFHRI-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO CCc1cnc(C[N@H+]2CCCc3occc3C2)o1 ZINC000582749234 357380851 /nfs/dbraw/zinc/38/08/51/357380851.db2.gz NFFXSDWECJFHRI-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO Cc1cc(NC[C@@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000230433828 357525190 /nfs/dbraw/zinc/52/51/90/357525190.db2.gz AHIHETHHJWBJOR-MWLCHTKSSA-N 1 2 205.305 2.633 20 0 BFADLO CO[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000191010169 357742798 /nfs/dbraw/zinc/74/27/98/357742798.db2.gz VKLSXPIIGOQXAH-RYUDHWBXSA-N 1 2 247.342 2.642 20 0 BFADLO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000191010152 357742975 /nfs/dbraw/zinc/74/29/75/357742975.db2.gz VKLSXPIIGOQXAH-NEPJUHHUSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000397963375 357816232 /nfs/dbraw/zinc/81/62/32/357816232.db2.gz WJHXOAUDRSZWTE-TVQRCGJNSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1conc1NCc1c[nH+]c2ccc(C)cn12 ZINC000191559848 357785212 /nfs/dbraw/zinc/78/52/12/357785212.db2.gz WDQLLNYEPUWILS-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccco2)cn1 ZINC000639927371 357856726 /nfs/dbraw/zinc/85/67/26/357856726.db2.gz QTOCUIYNUHJZQP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccco2)cn1 ZINC000639927371 357856730 /nfs/dbraw/zinc/85/67/30/357856730.db2.gz QTOCUIYNUHJZQP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO C[C@@H](Cn1cc[nH+]c1)Nc1nccc2occc21 ZINC000235159317 357847083 /nfs/dbraw/zinc/84/70/83/357847083.db2.gz FHWHAKPOHDCMSP-JTQLQIEISA-N 1 2 242.282 2.525 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(Cl)c(F)c1 ZINC000085168613 134224785 /nfs/dbraw/zinc/22/47/85/134224785.db2.gz HDRNIUBWXNIQRQ-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO C[C@@H]1CCC[C@H](CC[N@H+](CCO)CC(F)F)C1 ZINC000193397843 357881039 /nfs/dbraw/zinc/88/10/39/357881039.db2.gz MMBOUNZVWCTEDG-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@@H]1CCC[C@H](CC[N@@H+](CCO)CC(F)F)C1 ZINC000193397843 357881041 /nfs/dbraw/zinc/88/10/41/357881041.db2.gz MMBOUNZVWCTEDG-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1cc(CNc2c[nH]c[nH+]2)cc2cccnc12 ZINC000584462561 357985634 /nfs/dbraw/zinc/98/56/34/357985634.db2.gz NTLOBFJPIPIUPM-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cn1c[nH+]cc1CN(c1ccccc1)C1CCC1 ZINC000639999798 358036847 /nfs/dbraw/zinc/03/68/47/358036847.db2.gz CJDCWSUMXJHVSL-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO C[C@H](c1csnn1)[NH+]1CCC(CCF)CC1 ZINC000639989820 358025490 /nfs/dbraw/zinc/02/54/90/358025490.db2.gz NTTKMTHNDBNXOT-SECBINFHSA-N 1 2 243.351 2.671 20 0 BFADLO C[C@@H](c1csnn1)[NH+]1CCC(CCF)CC1 ZINC000639989821 358025545 /nfs/dbraw/zinc/02/55/45/358025545.db2.gz NTTKMTHNDBNXOT-VIFPVBQESA-N 1 2 243.351 2.671 20 0 BFADLO c1csc(C[NH2+]Cc2n[nH]c3ccccc32)c1 ZINC000051666682 358045751 /nfs/dbraw/zinc/04/57/51/358045751.db2.gz SVZFSJSQQGDDKG-UHFFFAOYSA-N 1 2 243.335 2.914 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(F)F ZINC000389930627 491121754 /nfs/dbraw/zinc/12/17/54/491121754.db2.gz ZXLVNUKKALNWRS-MRVPVSSYSA-N 1 2 224.254 2.911 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccoc2)n1 ZINC000584747760 358168735 /nfs/dbraw/zinc/16/87/35/358168735.db2.gz WOTJHWKRQPTRIM-NSHDSACASA-N 1 2 233.315 2.908 20 0 BFADLO CC[C@H]1C[C@H](Nc2ccc[nH+]c2C)CCO1 ZINC000085712312 491123527 /nfs/dbraw/zinc/12/35/27/491123527.db2.gz VQQHBYGQHNANJJ-NEPJUHHUSA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@]12CN(c3cccc[nH+]3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000450698821 202237079 /nfs/dbraw/zinc/23/70/79/202237079.db2.gz XTNPYFLXUUEDBE-COMQUAJESA-N 1 2 226.323 2.730 20 0 BFADLO Cc1noc(C[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000041064576 358242169 /nfs/dbraw/zinc/24/21/69/358242169.db2.gz GEWPCRBGTZGOJK-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO CC/C=C/CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000450694384 202237915 /nfs/dbraw/zinc/23/79/15/202237915.db2.gz ONWXIFDZNJSPPX-SNAWJCMRSA-N 1 2 216.288 2.596 20 0 BFADLO CCc1cc(NC[C@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000230432530 491130108 /nfs/dbraw/zinc/13/01/08/491130108.db2.gz MEZDHOFLQSIQJM-MNOVXSKESA-N 1 2 219.332 2.887 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C[C@@H]2C[C@H]2C)n1 ZINC000351228552 366455229 /nfs/dbraw/zinc/45/52/29/366455229.db2.gz GXQDVXPTFOCFLZ-SKDRFNHKSA-N 1 2 243.310 2.562 20 0 BFADLO CC[C@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000389280591 358420475 /nfs/dbraw/zinc/42/04/75/358420475.db2.gz RMFPWLMCGKHMRM-CBAPKCEASA-N 1 2 209.255 2.963 20 0 BFADLO CCc1nc(C[N@@H+]2CCC3(C2)CCCCC3)no1 ZINC000129944419 358602022 /nfs/dbraw/zinc/60/20/22/358602022.db2.gz INKMOEGAWDQBDQ-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCc1nc(C[N@H+]2CCC3(C2)CCCCC3)no1 ZINC000129944419 358602025 /nfs/dbraw/zinc/60/20/25/358602025.db2.gz INKMOEGAWDQBDQ-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000049370451 358684474 /nfs/dbraw/zinc/68/44/74/358684474.db2.gz ODMWXVXAYFKAOM-VHSXEESVSA-N 1 2 241.356 2.740 20 0 BFADLO Cc1cc(N[C@@H]2CCc3ccccc3C2)nc[nH+]1 ZINC000051632402 358757432 /nfs/dbraw/zinc/75/74/32/358757432.db2.gz CDQFNMMOMYLTFA-CQSZACIVSA-N 1 2 239.322 2.754 20 0 BFADLO Cc1nc(C[N@H+](C2CC2)C2CCC(C)CC2)no1 ZINC000052104139 358773202 /nfs/dbraw/zinc/77/32/02/358773202.db2.gz XEQVTUHMIDLZIO-UHFFFAOYSA-N 1 2 249.358 2.921 20 0 BFADLO Cc1nc(C[N@@H+](C2CC2)C2CCC(C)CC2)no1 ZINC000052104139 358773204 /nfs/dbraw/zinc/77/32/04/358773204.db2.gz XEQVTUHMIDLZIO-UHFFFAOYSA-N 1 2 249.358 2.921 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1ccccc1Cl ZINC000054459543 358863077 /nfs/dbraw/zinc/86/30/77/358863077.db2.gz UIVURYJZCBAQMX-JTQLQIEISA-N 1 2 247.729 2.981 20 0 BFADLO Cc1nc(N[C@H]2C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000054936357 358879193 /nfs/dbraw/zinc/87/91/93/358879193.db2.gz KFGIFRUJUCUMKJ-OLZOCXBDSA-N 1 2 225.295 2.753 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCC[C@@H]2CC)no1 ZINC000054982730 358879382 /nfs/dbraw/zinc/87/93/82/358879382.db2.gz ZOMOIALZZOXDPA-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCCC[C@@H]2CC)no1 ZINC000054982730 358879386 /nfs/dbraw/zinc/87/93/86/358879386.db2.gz ZOMOIALZZOXDPA-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CC[C@@H](NC(=O)c1cscc1C)c1[nH]cc[nH+]1 ZINC000140643163 358923782 /nfs/dbraw/zinc/92/37/82/358923782.db2.gz FGCRCTXKWSGJBJ-SNVBAGLBSA-N 1 2 249.339 2.661 20 0 BFADLO CC[C@H](NC(=O)c1sccc1C)c1[nH]cc[nH+]1 ZINC000140700667 358924795 /nfs/dbraw/zinc/92/47/95/358924795.db2.gz JFEZVUZSWJKJNQ-VIFPVBQESA-N 1 2 249.339 2.661 20 0 BFADLO CCCC[C@@H](CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979612 359068687 /nfs/dbraw/zinc/06/86/87/359068687.db2.gz HWIDDJLZOWINLA-LLVKDONJSA-N 1 2 237.347 2.585 20 0 BFADLO Cc1cccnc1C[NH2+]Cc1c(F)cccc1F ZINC000071339090 359077102 /nfs/dbraw/zinc/07/71/02/359077102.db2.gz BUWYADDMRMEOTN-UHFFFAOYSA-N 1 2 248.276 2.958 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@](C)(CC)C2)no1 ZINC000075998406 359262577 /nfs/dbraw/zinc/26/25/77/359262577.db2.gz NKIKHIKEOKVKNN-CYBMUJFWSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@](C)(CC)C2)no1 ZINC000075998406 359262581 /nfs/dbraw/zinc/26/25/81/359262581.db2.gz NKIKHIKEOKVKNN-CYBMUJFWSA-N 1 2 237.347 2.644 20 0 BFADLO CC[C@@]1(C)CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000075998579 359263058 /nfs/dbraw/zinc/26/30/58/359263058.db2.gz FZXHFTQQKVQMDA-AWEZNQCLSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000075998579 359263062 /nfs/dbraw/zinc/26/30/62/359263062.db2.gz FZXHFTQQKVQMDA-AWEZNQCLSA-N 1 2 249.358 2.959 20 0 BFADLO CC(C)([NH2+]Cc1cccc(O)c1)C(F)F ZINC000309008984 491142246 /nfs/dbraw/zinc/14/22/46/491142246.db2.gz RAFXUYZRYIRLID-UHFFFAOYSA-N 1 2 215.243 2.526 20 0 BFADLO CCc1cc(NCCC2(C)CC2)nc[nH+]1 ZINC000309060805 491143704 /nfs/dbraw/zinc/14/37/04/491143704.db2.gz WNAIHTVNQHBVQM-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO CC[C@@H](Nc1[nH+]ccc2ccc(F)cc21)[C@H](C)O ZINC000450801763 202270230 /nfs/dbraw/zinc/27/02/30/202270230.db2.gz SNVVGURNXKDCLC-TVQRCGJNSA-N 1 2 248.301 2.945 20 0 BFADLO CCC(=O)CCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000450846425 202286671 /nfs/dbraw/zinc/28/66/71/202286671.db2.gz MRNIPXQBFAURRS-JTQLQIEISA-N 1 2 233.302 2.723 20 0 BFADLO CCC(=O)CCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000450846425 202286675 /nfs/dbraw/zinc/28/66/75/202286675.db2.gz MRNIPXQBFAURRS-JTQLQIEISA-N 1 2 233.302 2.723 20 0 BFADLO CCO[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000450930778 202311641 /nfs/dbraw/zinc/31/16/41/202311641.db2.gz FVLBDERXFQPHRS-VXGBXAGGSA-N 1 2 235.331 2.545 20 0 BFADLO c1cc2[nH+]ccc(NC[C@@H]3C[C@H]3C3CC3)c2cn1 ZINC000450926376 202311998 /nfs/dbraw/zinc/31/19/98/202311998.db2.gz MABHWSDRRGHVGB-RYUDHWBXSA-N 1 2 239.322 2.510 20 0 BFADLO CCc1cc(N)nc(SCCC(C)(F)F)[nH+]1 ZINC000450932336 202312403 /nfs/dbraw/zinc/31/24/03/202312403.db2.gz ODFPCLIVNSYFQE-UHFFFAOYSA-N 1 2 247.314 2.589 20 0 BFADLO Fc1cccnc1SCCCn1cc[nH+]c1 ZINC000451057999 202341136 /nfs/dbraw/zinc/34/11/36/202341136.db2.gz UTQRCIGXJNPNBG-UHFFFAOYSA-N 1 2 237.303 2.600 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC(C)(C)O ZINC000087029517 359894820 /nfs/dbraw/zinc/89/48/20/359894820.db2.gz RAUOGMQNJMFYFQ-UHFFFAOYSA-N 1 2 230.311 2.726 20 0 BFADLO Cc1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000578664189 366623121 /nfs/dbraw/zinc/62/31/21/366623121.db2.gz FOSVREYSCGZYLL-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO Cc1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000578664189 366623124 /nfs/dbraw/zinc/62/31/24/366623124.db2.gz FOSVREYSCGZYLL-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC(C)(F)CC2)[nH+]1 ZINC000631517206 360006623 /nfs/dbraw/zinc/00/66/23/360006623.db2.gz VLZRZUGSEKZPLD-UHFFFAOYSA-N 1 2 248.305 2.595 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(C)ccc1F ZINC000090170129 360061539 /nfs/dbraw/zinc/06/15/39/360061539.db2.gz RSZDGQAMECHTCJ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1csc(CSCCn2cc[nH+]c2)n1 ZINC000090202243 360063706 /nfs/dbraw/zinc/06/37/06/360063706.db2.gz SMHJYSKKQYDFNB-UHFFFAOYSA-N 1 2 239.369 2.581 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)ccc1F ZINC000091980178 360140178 /nfs/dbraw/zinc/14/01/78/360140178.db2.gz NSSLSLHMZFTCOP-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cc(C)ccc1F ZINC000091980178 360140182 /nfs/dbraw/zinc/14/01/82/360140182.db2.gz NSSLSLHMZFTCOP-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1[nH+]cccc1NC1Cc2ccccc2C1 ZINC000091495722 360117413 /nfs/dbraw/zinc/11/74/13/360117413.db2.gz PFSDAOPSZSBFMH-UHFFFAOYSA-N 1 2 224.307 2.969 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1ccc(F)cn1 ZINC000092196386 360156072 /nfs/dbraw/zinc/15/60/72/360156072.db2.gz SJUVGDCFRLKORD-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000093417673 360241819 /nfs/dbraw/zinc/24/18/19/360241819.db2.gz FLHXTPPMEXGPOQ-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000093417673 360241822 /nfs/dbraw/zinc/24/18/22/360241822.db2.gz FLHXTPPMEXGPOQ-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000096687107 360353307 /nfs/dbraw/zinc/35/33/07/360353307.db2.gz UYPRQSCJAQKDJE-AWEZNQCLSA-N 1 2 249.354 2.927 20 0 BFADLO Cc1ccc(NC(=O)c2ccccc2)c(C)[nH+]1 ZINC000094667180 360315204 /nfs/dbraw/zinc/31/52/04/360315204.db2.gz MFEIMCGSFBQFJJ-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO Cn1cc[nH+]c1CSCc1ccccc1 ZINC000059962103 360424564 /nfs/dbraw/zinc/42/45/64/360424564.db2.gz XYGCZIXUOLEAQH-UHFFFAOYSA-N 1 2 218.325 2.854 20 0 BFADLO Cc1cc(N[C@@H](C2CCC2)[C@@H]2CCCO2)nc[nH+]1 ZINC000631523835 360561675 /nfs/dbraw/zinc/56/16/75/360561675.db2.gz CUAHEWHDVFINGO-JSGCOSHPSA-N 1 2 247.342 2.545 20 0 BFADLO CCc1nc(C[NH2+]CC(C)(C)F)cs1 ZINC000631192596 360576805 /nfs/dbraw/zinc/57/68/05/360576805.db2.gz YKBLHKDUMVCJPI-UHFFFAOYSA-N 1 2 216.325 2.543 20 0 BFADLO Cc1nc(N[C@@H](C2CCC2)[C@@H]2CCCO2)cc[nH+]1 ZINC000631526126 360598652 /nfs/dbraw/zinc/59/86/52/360598652.db2.gz ZBGTWQCFLHLSPL-JSGCOSHPSA-N 1 2 247.342 2.545 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000631195391 360638826 /nfs/dbraw/zinc/63/88/26/360638826.db2.gz WQNDAYCYJXFDRU-CQSZACIVSA-N 1 2 247.317 2.964 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cccnc1 ZINC000309580852 491152088 /nfs/dbraw/zinc/15/20/88/491152088.db2.gz QIASQVQNASYXOO-MWLCHTKSSA-N 1 2 226.270 2.920 20 0 BFADLO Cc1cc(N)nc(SC[C@@H]2C[C@H]3C=C[C@@H]2C3)[nH+]1 ZINC000629104286 360878744 /nfs/dbraw/zinc/87/87/44/360878744.db2.gz QLRGVIVUDXSUPG-AXFHLTTASA-N 1 2 247.367 2.502 20 0 BFADLO C[C@H]1C[C@@H]1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000629121490 360885320 /nfs/dbraw/zinc/88/53/20/360885320.db2.gz ZGIUEHHNMYLGEW-JGVFFNPUSA-N 1 2 222.238 2.971 20 0 BFADLO Cc1coc(SCc2ccc(N(C)C)[nH+]c2)n1 ZINC000629175384 360925988 /nfs/dbraw/zinc/92/59/88/360925988.db2.gz BEWGWSKNGXIDTL-UHFFFAOYSA-N 1 2 249.339 2.736 20 0 BFADLO CC(C)c1c[nH]c(SCc2cc[nH+]c(N)c2)n1 ZINC000629224098 360957466 /nfs/dbraw/zinc/95/74/66/360957466.db2.gz HOPCEXNWDAORPR-UHFFFAOYSA-N 1 2 248.355 2.633 20 0 BFADLO Cc1nc(NC2(C(F)F)CCCC2)cc[nH+]1 ZINC000309624134 491153042 /nfs/dbraw/zinc/15/30/42/491153042.db2.gz FGWSOUPZQLNNGG-UHFFFAOYSA-N 1 2 227.258 2.775 20 0 BFADLO Cc1nc(NC(C)(C)CC(F)(F)F)cc[nH+]1 ZINC000309843343 491156943 /nfs/dbraw/zinc/15/69/43/491156943.db2.gz FGQJHDBCWKJHDB-UHFFFAOYSA-N 1 2 233.237 2.928 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CC=CCC2)c(C)c[nH+]1 ZINC000579315463 366758510 /nfs/dbraw/zinc/75/85/10/366758510.db2.gz RBFFXRCIWRSYIS-OAHLLOKOSA-N 1 2 244.338 2.805 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429573024 201118477 /nfs/dbraw/zinc/11/84/77/201118477.db2.gz XGEBNSZJSBYGFX-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429573024 201118481 /nfs/dbraw/zinc/11/84/81/201118481.db2.gz XGEBNSZJSBYGFX-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429573021 201118846 /nfs/dbraw/zinc/11/88/46/201118846.db2.gz XGEBNSZJSBYGFX-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429573021 201118848 /nfs/dbraw/zinc/11/88/48/201118848.db2.gz XGEBNSZJSBYGFX-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cc(NCc2c[nH+]c3c(C)cccn23)no1 ZINC000181461928 366813262 /nfs/dbraw/zinc/81/32/62/366813262.db2.gz LSIFORHFMBBAGF-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000433414104 201185061 /nfs/dbraw/zinc/18/50/61/201185061.db2.gz YJRUIRPZTDRPEV-WDEREUQCSA-N 1 2 229.327 2.898 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC2(C)CCCC2)[nH+]1 ZINC000433786586 201193709 /nfs/dbraw/zinc/19/37/09/201193709.db2.gz YEKSWWCPNJXKCO-UHFFFAOYSA-N 1 2 244.342 2.680 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433785403 201194542 /nfs/dbraw/zinc/19/45/42/201194542.db2.gz INIHGLPRWUVZMC-DTWKUNHWSA-N 1 2 232.331 2.535 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC=CCC2)[nH+]1 ZINC000433797332 201194789 /nfs/dbraw/zinc/19/47/89/201194789.db2.gz VOBMUZBVUQSDEV-JTQLQIEISA-N 1 2 228.299 2.787 20 0 BFADLO COCc1cc(-c2c[nH]c(C)[nH+]2)ccc1OC ZINC000629697745 361628537 /nfs/dbraw/zinc/62/85/37/361628537.db2.gz BMRYKFKTPSQGEJ-UHFFFAOYSA-N 1 2 232.283 2.540 20 0 BFADLO COCCc1ccc(-c2c[nH]c(C)[nH+]2)cc1 ZINC000629700377 361630675 /nfs/dbraw/zinc/63/06/75/361630675.db2.gz JSRCXEZKUXRFNL-UHFFFAOYSA-N 1 2 216.284 2.574 20 0 BFADLO COCCCCNc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714900 361655854 /nfs/dbraw/zinc/65/58/54/361655854.db2.gz RDWZQLCQYYDQEQ-UHFFFAOYSA-N 1 2 246.310 2.602 20 0 BFADLO Cc1nn(C)cc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629721955 361661474 /nfs/dbraw/zinc/66/14/74/361661474.db2.gz IVRDIUJTPNYWAC-UHFFFAOYSA-N 1 2 230.315 2.611 20 0 BFADLO CNc1ccc(-c2ccc3c(c2)CCCO3)c[nH+]1 ZINC000629732518 361671140 /nfs/dbraw/zinc/67/11/40/361671140.db2.gz OYAXUEVOVDWRPO-UHFFFAOYSA-N 1 2 240.306 2.537 20 0 BFADLO C[C@H](C[NH+]1CC(F)C1)c1ccc(F)cc1 ZINC000437797098 201373764 /nfs/dbraw/zinc/37/37/64/201373764.db2.gz IAUKGGYNTBDDTC-SECBINFHSA-N 1 2 211.255 2.583 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)o1 ZINC000437960170 201382313 /nfs/dbraw/zinc/38/23/13/201382313.db2.gz YSTIKXIALJCSOY-ZDUSSCGKSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)o1 ZINC000437960170 201382316 /nfs/dbraw/zinc/38/23/16/201382316.db2.gz YSTIKXIALJCSOY-ZDUSSCGKSA-N 1 2 245.326 2.902 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(CCC2CC2)no1 ZINC000289739066 541307218 /nfs/dbraw/zinc/30/72/18/541307218.db2.gz NZSUCDNXTWOLML-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000614794195 363979669 /nfs/dbraw/zinc/97/96/69/363979669.db2.gz CYOVBABVTROYCA-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO CCc1cc(N[C@H]2CC=CCC2)nc[nH+]1 ZINC000080120118 370728537 /nfs/dbraw/zinc/72/85/37/370728537.db2.gz WXTMARIPNUVMNE-NSHDSACASA-N 1 2 203.289 2.560 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@H](CC(C)C)C2)no1 ZINC000074994878 364302670 /nfs/dbraw/zinc/30/26/70/364302670.db2.gz HZEGLOXCKWGJIV-NSHDSACASA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@H](CC(C)C)C2)no1 ZINC000074994878 364302675 /nfs/dbraw/zinc/30/26/75/364302675.db2.gz HZEGLOXCKWGJIV-NSHDSACASA-N 1 2 237.347 2.500 20 0 BFADLO CC[C@@H](N[C@H](C)c1[nH+]ccn1CC)C(F)F ZINC000453227110 202711913 /nfs/dbraw/zinc/71/19/13/202711913.db2.gz ARAWVRHHZCWGNM-RKDXNWHRSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H](Cc1ccccc1)c1nc(C[NH2+]C)no1 ZINC000573305221 364794368 /nfs/dbraw/zinc/79/43/68/364794368.db2.gz IZZMBWSCMQARKU-GFCCVEGCSA-N 1 2 245.326 2.525 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275554516 364758994 /nfs/dbraw/zinc/75/89/94/364758994.db2.gz FCZUTZWYVZYJDY-DGCLKSJQSA-N 1 2 244.342 2.617 20 0 BFADLO CC[N@@H+](Cc1csc(Cl)n1)C[C@H](C)OC ZINC000295165371 364779491 /nfs/dbraw/zinc/77/94/91/364779491.db2.gz FHYCGFSOSVPOJA-QMMMGPOBSA-N 1 2 248.779 2.653 20 0 BFADLO CC[N@H+](Cc1csc(Cl)n1)C[C@H](C)OC ZINC000295165371 364779493 /nfs/dbraw/zinc/77/94/93/364779493.db2.gz FHYCGFSOSVPOJA-QMMMGPOBSA-N 1 2 248.779 2.653 20 0 BFADLO CCOC[C@H](Nc1cc(CC)[nH+]cn1)C(C)C ZINC000233796072 541388168 /nfs/dbraw/zinc/38/81/68/541388168.db2.gz MWOQQXUBHAGNGJ-LBPRGKRZSA-N 1 2 237.347 2.512 20 0 BFADLO CCCCc1noc([C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000573774208 364913191 /nfs/dbraw/zinc/91/31/91/364913191.db2.gz QYKBNYZGCBAOCH-OUAUKWLOSA-N 1 2 237.347 2.956 20 0 BFADLO CCCCc1noc([C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000573774208 364913197 /nfs/dbraw/zinc/91/31/97/364913197.db2.gz QYKBNYZGCBAOCH-OUAUKWLOSA-N 1 2 237.347 2.956 20 0 BFADLO c1cc(C[NH2+][C@@H]2CSCc3ccccc32)no1 ZINC000148736872 541402136 /nfs/dbraw/zinc/40/21/36/541402136.db2.gz DXGAGCMTXDMXSQ-CYBMUJFWSA-N 1 2 246.335 2.752 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575065210 365184144 /nfs/dbraw/zinc/18/41/44/365184144.db2.gz AJZXJQDTDAXASE-MNOVXSKESA-N 1 2 249.358 2.587 20 0 BFADLO CC1CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000443407150 193019973 /nfs/dbraw/zinc/01/99/73/193019973.db2.gz ORWPBOWHASPANF-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO Cn1c(N2CCC(C)(C)C2)[nH+]c2cccc(F)c21 ZINC000443508201 193023215 /nfs/dbraw/zinc/02/32/15/193023215.db2.gz JXYLDFKKDQBLEX-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]c2cccc(F)c2n1C ZINC000443511724 193023659 /nfs/dbraw/zinc/02/36/59/193023659.db2.gz QXTOVVJQUYERFB-VHSXEESVSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ncccn1 ZINC000192013491 365240573 /nfs/dbraw/zinc/24/05/73/365240573.db2.gz PRXGNXHTYFEQBB-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ncccn1 ZINC000192013491 365240578 /nfs/dbraw/zinc/24/05/78/365240578.db2.gz PRXGNXHTYFEQBB-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1F ZINC000172365464 365318088 /nfs/dbraw/zinc/31/80/88/365318088.db2.gz SECYJLGVSAPDRG-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1F ZINC000172365464 365318095 /nfs/dbraw/zinc/31/80/95/365318095.db2.gz SECYJLGVSAPDRG-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1cc(C[NH2+]Cc2sccc2Cl)no1 ZINC000379877898 365334780 /nfs/dbraw/zinc/33/47/80/365334780.db2.gz ULXUUOLVVJFXSQ-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CC(=O)Nc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353646324 541484628 /nfs/dbraw/zinc/48/46/28/541484628.db2.gz CURIEDAVORBHAX-VIFPVBQESA-N 1 2 244.298 2.541 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000180033057 541506685 /nfs/dbraw/zinc/50/66/85/541506685.db2.gz UEBDFJUYNPKOMH-LLVKDONJSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000180045824 541505936 /nfs/dbraw/zinc/50/59/36/541505936.db2.gz ZUUXIZLGGMABKQ-SECBINFHSA-N 1 2 233.290 2.708 20 0 BFADLO C[C@H](Nc1cnn(C(C)(C)C)c1)c1[nH+]ccn1C ZINC000183393084 367019472 /nfs/dbraw/zinc/01/94/72/367019472.db2.gz UAWKPSNMIHNKDC-JTQLQIEISA-N 1 2 247.346 2.545 20 0 BFADLO CCOC(=O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000183202287 367001134 /nfs/dbraw/zinc/00/11/34/367001134.db2.gz WTPDCCDEOBRTGN-HNNXBMFYSA-N 1 2 249.354 2.845 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(=O)OC ZINC000183727159 367043336 /nfs/dbraw/zinc/04/33/36/367043336.db2.gz RCQYRAMERRPZTD-JSGCOSHPSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1nc(N2Cc3ccccc3C[C@H]2C)cc[nH+]1 ZINC000184173430 367067620 /nfs/dbraw/zinc/06/76/20/367067620.db2.gz NBEQWLHSHITQEO-LLVKDONJSA-N 1 2 239.322 2.736 20 0 BFADLO CC1CCC(COCc2[nH]cc[nH+]2)CC1 ZINC000185544670 367135925 /nfs/dbraw/zinc/13/59/25/367135925.db2.gz ZLKPAMUYWTXISW-UHFFFAOYSA-N 1 2 208.305 2.753 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)C2=C(C)CCC2)[nH+]1 ZINC000581077274 367255828 /nfs/dbraw/zinc/25/58/28/367255828.db2.gz KOEUSZMTNQYGPQ-UHFFFAOYSA-N 1 2 247.342 2.570 20 0 BFADLO CCn1cc[nH+]c1CN(C)Cc1ccccc1F ZINC000195513813 367366828 /nfs/dbraw/zinc/36/68/28/367366828.db2.gz ZLARAMPWLYCLTP-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO C[C@H]([NH2+]CC(C)(F)F)c1cccc(O)c1 ZINC000382210395 367498097 /nfs/dbraw/zinc/49/80/97/367498097.db2.gz GYOLPHXCZAXOMI-QMMMGPOBSA-N 1 2 215.243 2.698 20 0 BFADLO Fc1cccc2c1C[N@H+](CC1(F)CC1)C2 ZINC000581474197 367506933 /nfs/dbraw/zinc/50/69/33/367506933.db2.gz GPJFEYMTGSXNGO-UHFFFAOYSA-N 1 2 209.239 2.643 20 0 BFADLO Fc1cccc2c1C[N@@H+](CC1(F)CC1)C2 ZINC000581474197 367506935 /nfs/dbraw/zinc/50/69/35/367506935.db2.gz GPJFEYMTGSXNGO-UHFFFAOYSA-N 1 2 209.239 2.643 20 0 BFADLO Cc1cn(Cc2ccc3[nH]c(C)nc3c2)c(C)[nH+]1 ZINC000631013010 370891120 /nfs/dbraw/zinc/89/11/20/370891120.db2.gz BBPWVYJGQSDBTJ-UHFFFAOYSA-N 1 2 240.310 2.733 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000042473666 368310402 /nfs/dbraw/zinc/31/04/02/368310402.db2.gz LEYFVTRNNUAUSH-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000042473666 368310408 /nfs/dbraw/zinc/31/04/08/368310408.db2.gz LEYFVTRNNUAUSH-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccs2)n1 ZINC000042540880 368310522 /nfs/dbraw/zinc/31/05/22/368310522.db2.gz OMECOHAULMHYGX-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2cccs2)n1 ZINC000042540880 368310527 /nfs/dbraw/zinc/31/05/27/368310527.db2.gz OMECOHAULMHYGX-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000046774570 368450302 /nfs/dbraw/zinc/45/03/02/368450302.db2.gz YYVRKTLNKVTGRP-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1 ZINC000046774570 368450310 /nfs/dbraw/zinc/45/03/10/368450310.db2.gz YYVRKTLNKVTGRP-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nccn1C ZINC000057620365 368497685 /nfs/dbraw/zinc/49/76/85/368497685.db2.gz GPSPVYYRPSDYJU-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nccn1C ZINC000057620365 368497692 /nfs/dbraw/zinc/49/76/92/368497692.db2.gz GPSPVYYRPSDYJU-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000060466594 368543052 /nfs/dbraw/zinc/54/30/52/368543052.db2.gz JFDVHSHPWVLULD-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](C)C1 ZINC000060466594 368543057 /nfs/dbraw/zinc/54/30/57/368543057.db2.gz JFDVHSHPWVLULD-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1nnc(C2CC2)o1 ZINC000064030978 368600363 /nfs/dbraw/zinc/60/03/63/368600363.db2.gz FFTPBEMIJLUYBY-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1nnc(C2CC2)o1 ZINC000064030978 368600366 /nfs/dbraw/zinc/60/03/66/368600366.db2.gz FFTPBEMIJLUYBY-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO CCC[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000083381211 368769566 /nfs/dbraw/zinc/76/95/66/368769566.db2.gz CPDJSYWNHNXLIY-GXTWGEPZSA-N 1 2 249.354 2.721 20 0 BFADLO c1cn(Cc2cc(-c3ccccc3)no2)c[nH+]1 ZINC000073648384 368812193 /nfs/dbraw/zinc/81/21/93/368812193.db2.gz IYYARIBXJBIGHX-UHFFFAOYSA-N 1 2 225.251 2.586 20 0 BFADLO Cc1cccn2c(NC(=O)CC(C)C)c[nH+]c12 ZINC000619011386 369257356 /nfs/dbraw/zinc/25/73/56/369257356.db2.gz TZICSSMRYOZSBB-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO CC(C)OC1CC([N@H+](C)Cc2cscn2)C1 ZINC000459301966 203249270 /nfs/dbraw/zinc/24/92/70/203249270.db2.gz LSTSLSVXZKKSHE-UHFFFAOYSA-N 1 2 240.372 2.531 20 0 BFADLO CC(C)OC1CC([N@@H+](C)Cc2cscn2)C1 ZINC000459301966 203249273 /nfs/dbraw/zinc/24/92/73/203249273.db2.gz LSTSLSVXZKKSHE-UHFFFAOYSA-N 1 2 240.372 2.531 20 0 BFADLO COc1cc(C)cc(C[NH2+]Cc2cc(C)on2)c1 ZINC000459452522 203284335 /nfs/dbraw/zinc/28/43/35/203284335.db2.gz RDEPEUOINFAZHF-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CCOC1C[NH+](Cc2ccccc2OC(C)C)C1 ZINC000459574526 203305553 /nfs/dbraw/zinc/30/55/53/203305553.db2.gz AZLYHKBSBMDXAN-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc2c1OCO2 ZINC000623680059 369381998 /nfs/dbraw/zinc/38/19/98/369381998.db2.gz WBVGUINQEOLMKY-UHFFFAOYSA-N 1 2 243.253 2.550 20 0 BFADLO CCCCCOC1C[NH+](Cc2cccc(O)c2)C1 ZINC000459584878 203306750 /nfs/dbraw/zinc/30/67/50/203306750.db2.gz APFFLNSCSYBBNR-UHFFFAOYSA-N 1 2 249.354 2.783 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccoc1C ZINC000623679139 369379032 /nfs/dbraw/zinc/37/90/32/369379032.db2.gz JRMZYKYAXVEOJU-UHFFFAOYSA-N 1 2 203.232 2.723 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccnc(C)c1 ZINC000623679145 369379069 /nfs/dbraw/zinc/37/90/69/369379069.db2.gz JXNXUJCIOIHHFY-UHFFFAOYSA-N 1 2 214.259 2.525 20 0 BFADLO COCCC1(C)C[NH+](Cc2ccc(Cl)o2)C1 ZINC000459628147 203321212 /nfs/dbraw/zinc/32/12/12/203321212.db2.gz CYUFPAXEPQLCAZ-UHFFFAOYSA-N 1 2 243.734 2.791 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C1CC1 ZINC000619509548 369449182 /nfs/dbraw/zinc/44/91/82/369449182.db2.gz CYYRYVPDOLZXNK-NSHDSACASA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000619509548 369449188 /nfs/dbraw/zinc/44/91/88/369449188.db2.gz CYYRYVPDOLZXNK-NSHDSACASA-N 1 2 247.338 2.557 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccn(C)n1 ZINC000459735319 203346716 /nfs/dbraw/zinc/34/67/16/203346716.db2.gz ALHGWKNNNBMXCY-QMMMGPOBSA-N 1 2 239.706 2.517 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1F ZINC000459754329 203355817 /nfs/dbraw/zinc/35/58/17/203355817.db2.gz JJINLOWSCAYFLJ-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000459754499 203356761 /nfs/dbraw/zinc/35/67/61/203356761.db2.gz ODSZJFVROWCJAT-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO COC[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631035091 370984768 /nfs/dbraw/zinc/98/47/68/370984768.db2.gz ZNJJWFXSVDVSRF-JTQLQIEISA-N 1 2 216.284 2.682 20 0 BFADLO C[C@@H](NC(=O)CC1CCCCC1)c1[nH+]ccn1C ZINC000082283355 370980150 /nfs/dbraw/zinc/98/01/50/370980150.db2.gz WXKPLMSCHWFVQC-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccn(C)n1 ZINC000459797827 203371830 /nfs/dbraw/zinc/37/18/30/203371830.db2.gz SVSHNPJZPGCKDY-WDEREUQCSA-N 1 2 247.317 2.971 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccn(C)n1 ZINC000459797824 203372055 /nfs/dbraw/zinc/37/20/55/203372055.db2.gz SVSHNPJZPGCKDY-GHMZBOCLSA-N 1 2 247.317 2.971 20 0 BFADLO C[C@H](NC(=O)CC1(C)CCCC1)c1[nH+]ccn1C ZINC000620607547 369955737 /nfs/dbraw/zinc/95/57/37/369955737.db2.gz IBSHXYVVSBFVNJ-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO Cc1cn2ccc(NC(=O)C3(C)CCC3)cc2[nH+]1 ZINC000620649759 369971993 /nfs/dbraw/zinc/97/19/93/369971993.db2.gz CQWNWTKHFYPJHO-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CCc1cc(N[C@@H]2C[C@](C)(OC)C2(C)C)nc[nH+]1 ZINC000075064713 370072209 /nfs/dbraw/zinc/07/22/09/370072209.db2.gz YPWWJGRNUOJQGD-RISCZKNCSA-N 1 2 249.358 2.655 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)n1 ZINC000621283163 370213529 /nfs/dbraw/zinc/21/35/29/370213529.db2.gz WZDWSCYIHNEFRM-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2cccc(F)c2)n1 ZINC000621283163 370213532 /nfs/dbraw/zinc/21/35/32/370213532.db2.gz WZDWSCYIHNEFRM-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Fc1ccc(C[C@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000076807492 370355888 /nfs/dbraw/zinc/35/58/88/370355888.db2.gz CLIQIERHFDZOOV-LLVKDONJSA-N 1 2 243.272 2.955 20 0 BFADLO Fc1ccc(C[C@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000076807492 370355894 /nfs/dbraw/zinc/35/58/94/370355894.db2.gz CLIQIERHFDZOOV-LLVKDONJSA-N 1 2 243.272 2.955 20 0 BFADLO CC1(c2ccccc2)C[NH+](Cc2cscn2)C1 ZINC000621734288 370490534 /nfs/dbraw/zinc/49/05/34/370490534.db2.gz JUTCFHOGRFRVJN-UHFFFAOYSA-N 1 2 244.363 2.917 20 0 BFADLO CCc1noc(C[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000078621760 370582373 /nfs/dbraw/zinc/58/23/73/370582373.db2.gz PZWMRXAJGAEYJG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000078621760 370582379 /nfs/dbraw/zinc/58/23/79/370582379.db2.gz PZWMRXAJGAEYJG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO COC1CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631047927 371062803 /nfs/dbraw/zinc/06/28/03/371062803.db2.gz YRPBZMLGWNWAGO-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CC1(C[NH2+]c2ccc(-n3ccc(=O)[nH]3)cc2)CC1 ZINC000623777308 371089497 /nfs/dbraw/zinc/08/94/97/371089497.db2.gz ZLHRWKFZSWTNJV-UHFFFAOYSA-N 1 2 243.310 2.790 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(C)cc2F)no1 ZINC000631054301 371137160 /nfs/dbraw/zinc/13/71/60/371137160.db2.gz UJUCQXOXTGSARC-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@H]1CCCCO1 ZINC000623942729 371170145 /nfs/dbraw/zinc/17/01/45/371170145.db2.gz RLWPOJNRKFFWQD-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000389918849 371182009 /nfs/dbraw/zinc/18/20/09/371182009.db2.gz OWIONZDWZFOMAA-MRVPVSSYSA-N 1 2 244.241 2.646 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000389918850 371182307 /nfs/dbraw/zinc/18/23/07/371182307.db2.gz OWIONZDWZFOMAA-QMMMGPOBSA-N 1 2 244.241 2.646 20 0 BFADLO CN(CC1CC1)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631066080 371259433 /nfs/dbraw/zinc/25/94/33/371259433.db2.gz SLAAFKXWWVWGBW-UHFFFAOYSA-N 1 2 242.326 2.682 20 0 BFADLO COC(=O)[C@H]([NH2+]CCC1CCC1)c1ccccc1 ZINC000125599481 371361955 /nfs/dbraw/zinc/36/19/55/371361955.db2.gz SKRYBRCKNQPAPF-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000624147956 371343319 /nfs/dbraw/zinc/34/33/19/371343319.db2.gz PRWQNLMSHDZBSD-SNVBAGLBSA-N 1 2 243.297 2.875 20 0 BFADLO COc1ccc[nH+]c1N1CCC2(CCC2)CC1 ZINC000624214507 371401608 /nfs/dbraw/zinc/40/16/08/371401608.db2.gz NRBPKFXFVPFWJE-UHFFFAOYSA-N 1 2 232.327 2.861 20 0 BFADLO COc1ccc[nH+]c1NC[C@]1(C)CC1(F)F ZINC000624399660 371500563 /nfs/dbraw/zinc/50/05/63/371500563.db2.gz RRTODXIVTSYIHB-JTQLQIEISA-N 1 2 228.242 2.547 20 0 BFADLO CCC[C@H](CNc1[nH+]cccc1OC)OCC ZINC000624437708 371510435 /nfs/dbraw/zinc/51/04/35/371510435.db2.gz DOEIGMYBNQPMEP-LLVKDONJSA-N 1 2 238.331 2.707 20 0 BFADLO CCN(CCC(F)(F)F)Cc1[nH+]ccn1CC ZINC000624483759 371519262 /nfs/dbraw/zinc/51/92/62/371519262.db2.gz CSVBVEWPDUFORO-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCn1ccnc1C[N@H+](CC)CCC(F)(F)F ZINC000624483759 371519263 /nfs/dbraw/zinc/51/92/63/371519263.db2.gz CSVBVEWPDUFORO-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCn1ccnc1C[N@@H+](CC)CCC(F)(F)F ZINC000624483759 371519265 /nfs/dbraw/zinc/51/92/65/371519265.db2.gz CSVBVEWPDUFORO-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCCN(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631082704 371799540 /nfs/dbraw/zinc/79/95/40/371799540.db2.gz KDLAPVXVKSHHEC-UHFFFAOYSA-N 1 2 230.315 2.682 20 0 BFADLO CCc1cc(NCCCCCSC)nc[nH+]1 ZINC000229570789 372165600 /nfs/dbraw/zinc/16/56/00/372165600.db2.gz COXYRANFDAYLDE-UHFFFAOYSA-N 1 2 239.388 2.984 20 0 BFADLO CCCCc1cc(N[C@H]2CC[C@H](O)CC2)nc[nH+]1 ZINC000631179969 372219422 /nfs/dbraw/zinc/21/94/22/372219422.db2.gz KIUUJQYVGBATDE-AULYBMBSSA-N 1 2 249.358 2.535 20 0 BFADLO CCCCc1cc(N[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000631188437 372222170 /nfs/dbraw/zinc/22/21/70/372222170.db2.gz ASUBIRDFLDMQEN-WCQYABFASA-N 1 2 249.358 2.799 20 0 BFADLO CN(c1[nH+]c(C2CC2)nc2[nH]ccc21)C1CCC1 ZINC000631133691 372205290 /nfs/dbraw/zinc/20/52/90/372205290.db2.gz XVENYERRTANUIA-UHFFFAOYSA-N 1 2 242.326 2.824 20 0 BFADLO OCCN(c1cc2ccccc2c[nH+]1)C1CCC1 ZINC000631232753 372253785 /nfs/dbraw/zinc/25/37/85/372253785.db2.gz DSYBUYVXIGKGBO-UHFFFAOYSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)o1 ZINC000631243555 372256863 /nfs/dbraw/zinc/25/68/63/372256863.db2.gz KZAGZJLKOKMMMZ-UHFFFAOYSA-N 1 2 248.351 2.823 20 0 BFADLO OC1(CCNc2cc3ccccc3c[nH+]2)CCC1 ZINC000631266185 372270903 /nfs/dbraw/zinc/27/09/03/372270903.db2.gz DJHBGFZAPAXUHB-UHFFFAOYSA-N 1 2 242.322 2.952 20 0 BFADLO CCn1nc(C)c(CN(C)c2cccc[nH+]2)c1C ZINC000631413765 372346297 /nfs/dbraw/zinc/34/62/97/372346297.db2.gz JEEYPLQXOVERAS-UHFFFAOYSA-N 1 2 244.342 2.551 20 0 BFADLO Cc1nc(N[C@H]2CCCC23CC3)cc[nH+]1 ZINC000631417710 372349487 /nfs/dbraw/zinc/34/94/87/372349487.db2.gz HMDTUYYRIJXTML-JTQLQIEISA-N 1 2 203.289 2.530 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@@H]2c2ccco2)cc[nH+]1 ZINC000631420428 372352254 /nfs/dbraw/zinc/35/22/54/372352254.db2.gz DXRCUQAPRJMNTI-ZDUSSCGKSA-N 1 2 243.310 2.966 20 0 BFADLO OC[C@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000631426482 372356212 /nfs/dbraw/zinc/35/62/12/372356212.db2.gz AYIDMBKJALDJGX-WVSHTKLVSA-N 1 2 246.285 2.557 20 0 BFADLO Cc1nc(N[C@]23C[C@H]2CCCC3)cc[nH+]1 ZINC000631476019 372384893 /nfs/dbraw/zinc/38/48/93/372384893.db2.gz ONVPIVXILAHXJE-ZYHUDNBSSA-N 1 2 203.289 2.530 20 0 BFADLO O=C(C[C@@H]1C=CCC1)Nc1cccc2[nH+]ccn21 ZINC000266141194 182015636 /nfs/dbraw/zinc/01/56/36/182015636.db2.gz HDURVDVVFNYBII-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(F)F)C12CCCC2 ZINC000172670144 373039040 /nfs/dbraw/zinc/03/90/40/373039040.db2.gz VCDSIQKNBKAQNX-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(F)F)C12CCCC2 ZINC000172670144 373039045 /nfs/dbraw/zinc/03/90/45/373039045.db2.gz VCDSIQKNBKAQNX-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000424200727 206035653 /nfs/dbraw/zinc/03/56/53/206035653.db2.gz RFSRWGZCMBXFGB-HUUCEWRRSA-N 1 2 242.297 2.809 20 0 BFADLO CO[C@H](CSc1[nH+]cc2ccccn21)C1CC1 ZINC000424086875 206029590 /nfs/dbraw/zinc/02/95/90/206029590.db2.gz DXOYXFCJVUIJIU-GFCCVEGCSA-N 1 2 248.351 2.851 20 0 BFADLO CCCCOCCCNc1cccc[nH+]1 ZINC000130243576 168895394 /nfs/dbraw/zinc/89/53/94/168895394.db2.gz XZJQNOLQKVVHDC-UHFFFAOYSA-N 1 2 208.305 2.700 20 0 BFADLO OCCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000267388158 183048802 /nfs/dbraw/zinc/04/88/02/183048802.db2.gz WMGKYXKFTUZQHZ-UHFFFAOYSA-N 1 2 243.297 2.526 20 0 BFADLO OCCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000267388158 183048805 /nfs/dbraw/zinc/04/88/05/183048805.db2.gz WMGKYXKFTUZQHZ-UHFFFAOYSA-N 1 2 243.297 2.526 20 0 BFADLO OCC[N@H+](CCC1CCCCC1)CC(F)F ZINC000300717827 183065971 /nfs/dbraw/zinc/06/59/71/183065971.db2.gz XWUKFUOIWRPWDQ-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO OCC[N@@H+](CCC1CCCCC1)CC(F)F ZINC000300717827 183065974 /nfs/dbraw/zinc/06/59/74/183065974.db2.gz XWUKFUOIWRPWDQ-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO CCCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCC1 ZINC000332039383 169011333 /nfs/dbraw/zinc/01/13/33/169011333.db2.gz XDNOZPRWZDSICH-LBPRGKRZSA-N 1 2 249.358 2.807 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC3(CCC3)C2)no1 ZINC000123478133 169026197 /nfs/dbraw/zinc/02/61/97/169026197.db2.gz QYIBSDRILKIYOH-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC3(CCC3)C2)no1 ZINC000123478133 169026200 /nfs/dbraw/zinc/02/62/00/169026200.db2.gz QYIBSDRILKIYOH-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC[C@@H]2CC)no1 ZINC000336679744 169026343 /nfs/dbraw/zinc/02/63/43/169026343.db2.gz BZMPBALWKFOPCA-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC[C@@H]2CC)no1 ZINC000336679744 169026345 /nfs/dbraw/zinc/02/63/45/169026345.db2.gz BZMPBALWKFOPCA-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO OC[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000296425841 183126731 /nfs/dbraw/zinc/12/67/31/183126731.db2.gz XWVNNFOKLSHQDB-YPMHNXCESA-N 1 2 242.322 2.808 20 0 BFADLO O[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)CC1 ZINC000250016271 183204122 /nfs/dbraw/zinc/20/41/22/183204122.db2.gz JVVCXNYTDCBCAV-JOCQHMNTSA-N 1 2 242.322 2.950 20 0 BFADLO O[C@@H]1CC[C@H]1Nc1cc[nH+]c2c(Cl)cccc12 ZINC000335158426 183204615 /nfs/dbraw/zinc/20/46/15/183204615.db2.gz NMDJTBMPVXDUFW-VXGBXAGGSA-N 1 2 248.713 2.823 20 0 BFADLO Oc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110127169 183272121 /nfs/dbraw/zinc/27/21/21/183272121.db2.gz JQBMAVADHKMMBR-UHFFFAOYSA-N 1 2 241.294 2.672 20 0 BFADLO Oc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC000061905491 183285892 /nfs/dbraw/zinc/28/58/92/183285892.db2.gz AMTUHWDLVZMWKH-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO CCC[N@H+](CCc1csc(C)n1)CC(F)F ZINC000120382245 169170305 /nfs/dbraw/zinc/17/03/05/169170305.db2.gz OKVBJCHKDFOKBR-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO CCC[N@@H+](CCc1csc(C)n1)CC(F)F ZINC000120382245 169170307 /nfs/dbraw/zinc/17/03/07/169170307.db2.gz OKVBJCHKDFOKBR-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO c1cc(N2CCC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000131412694 183355799 /nfs/dbraw/zinc/35/57/99/183355799.db2.gz CJVQQTZFGCYESJ-UHFFFAOYSA-N 1 2 229.327 2.734 20 0 BFADLO c1cc(N2CC3(C2)CCCC3)nc(C2CC2)[nH+]1 ZINC000336518041 183356275 /nfs/dbraw/zinc/35/62/75/183356275.db2.gz FKYSUPGOGBNVEO-UHFFFAOYSA-N 1 2 229.327 2.734 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CCCOCC3)c2cn1 ZINC000271880906 183377239 /nfs/dbraw/zinc/37/72/39/183377239.db2.gz MKKPIWVFVQEPAL-LLVKDONJSA-N 1 2 243.310 2.611 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000154078117 183360876 /nfs/dbraw/zinc/36/08/76/183360876.db2.gz UEZSEASMMBJWGN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@H]2c2ccncc2)n1 ZINC000154078117 183360880 /nfs/dbraw/zinc/36/08/80/183360880.db2.gz UEZSEASMMBJWGN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1ncc(C[N@H+](Cc2ccccn2)C2CC2)s1 ZINC000290419958 183396402 /nfs/dbraw/zinc/39/64/02/183396402.db2.gz KQEXMLTVNMNRJN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1ncc(C[N@@H+](Cc2ccccn2)C2CC2)s1 ZINC000290419958 183396404 /nfs/dbraw/zinc/39/64/04/183396404.db2.gz KQEXMLTVNMNRJN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CCCO[C@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000110587427 169312869 /nfs/dbraw/zinc/31/28/69/169312869.db2.gz NPDUUYGBFOCQEO-ZDUSSCGKSA-N 1 2 249.358 2.571 20 0 BFADLO CCCO[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000108350626 169313113 /nfs/dbraw/zinc/31/31/13/169313113.db2.gz LXFJIGLLCXEYOZ-ZDUSSCGKSA-N 1 2 234.343 2.867 20 0 BFADLO CCCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000081214599 169316620 /nfs/dbraw/zinc/31/66/20/169316620.db2.gz KVSDTOUXJILXIN-UHFFFAOYSA-N 1 2 202.257 2.866 20 0 BFADLO CCCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000050851372 169293301 /nfs/dbraw/zinc/29/33/01/169293301.db2.gz XNRFFHRSSRIYLX-UHFFFAOYSA-N 1 2 242.326 2.923 20 0 BFADLO CCCOc1cccc(C[NH2+]CC(F)F)c1 ZINC000147393634 169324914 /nfs/dbraw/zinc/32/49/14/169324914.db2.gz HHEPFNCNNXEUJZ-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000112790476 169352957 /nfs/dbraw/zinc/35/29/57/169352957.db2.gz SYGYGJMHPVIEGL-SNVBAGLBSA-N 1 2 235.331 2.522 20 0 BFADLO CCC[C@@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000178411792 169372579 /nfs/dbraw/zinc/37/25/79/169372579.db2.gz OANKUFJLAONGLR-MRVPVSSYSA-N 1 2 211.334 2.648 20 0 BFADLO CCc1nnc(C[N@@H+]2CCCC(C)(C)C2)s1 ZINC000680052798 487528447 /nfs/dbraw/zinc/52/84/47/487528447.db2.gz NZJOQKOEYCJAMG-UHFFFAOYSA-N 1 2 239.388 2.723 20 0 BFADLO CCc1nnc(C[N@H+]2CCCC(C)(C)C2)s1 ZINC000680052798 487528454 /nfs/dbraw/zinc/52/84/54/487528454.db2.gz NZJOQKOEYCJAMG-UHFFFAOYSA-N 1 2 239.388 2.723 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000111410662 383862825 /nfs/dbraw/zinc/86/28/25/383862825.db2.gz LDPDDVVCGGFSDI-MEBBXXQBSA-N 1 2 241.338 2.741 20 0 BFADLO Cc1nc(C2([NH2+][C@H]3C=CCCC3)CCCC2)no1 ZINC000066496785 383866727 /nfs/dbraw/zinc/86/67/27/383866727.db2.gz CGJKQTVDBJWRQX-LBPRGKRZSA-N 1 2 247.342 2.846 20 0 BFADLO c1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)[nH]n1 ZINC000037075405 383934602 /nfs/dbraw/zinc/93/46/02/383934602.db2.gz XGIGZMUXHCECPO-AWEZNQCLSA-N 1 2 227.311 2.651 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(F)(F)F ZINC000308652736 383883473 /nfs/dbraw/zinc/88/34/73/383883473.db2.gz LWYBLJSHYHOSPA-RNJXMRFFSA-N 1 2 209.255 2.961 20 0 BFADLO CCOCCNc1ccc2ccccc2[nH+]1 ZINC000036229879 383891281 /nfs/dbraw/zinc/89/12/81/383891281.db2.gz DWZHMSQKUMVHHY-UHFFFAOYSA-N 1 2 216.284 2.683 20 0 BFADLO CCOc1cccc([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000066991225 383903866 /nfs/dbraw/zinc/90/38/66/383903866.db2.gz DMDBGNLXOFJTET-NSHDSACASA-N 1 2 245.326 2.659 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)[C@H](C)C2)c(C)[nH+]1 ZINC000267998678 383951796 /nfs/dbraw/zinc/95/17/96/383951796.db2.gz BQJGNTZUNUCBLF-AOOOYVTPSA-N 1 2 247.342 2.818 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccnn1CC(C)C)C(F)F ZINC000647213637 383976381 /nfs/dbraw/zinc/97/63/81/383976381.db2.gz QCCHTEAVYQDWPT-LLVKDONJSA-N 1 2 245.317 2.672 20 0 BFADLO CC[C@H]([NH2+]Cc1ccnn1CC(C)C)C(F)F ZINC000647213638 383977002 /nfs/dbraw/zinc/97/70/02/383977002.db2.gz QCCHTEAVYQDWPT-NSHDSACASA-N 1 2 245.317 2.672 20 0 BFADLO CCc1cccc(Cl)c1C[NH2+]Cc1cc[nH]n1 ZINC000530441159 384018428 /nfs/dbraw/zinc/01/84/28/384018428.db2.gz DEOOVQCKVZNDIS-UHFFFAOYSA-N 1 2 249.745 2.915 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(Cl)s1 ZINC000114188355 384026272 /nfs/dbraw/zinc/02/62/72/384026272.db2.gz RPWXHFURPJCFRR-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(Cl)s1 ZINC000114188355 384026276 /nfs/dbraw/zinc/02/62/76/384026276.db2.gz RPWXHFURPJCFRR-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1c(F)cccc1F ZINC000037771913 384014566 /nfs/dbraw/zinc/01/45/66/384014566.db2.gz FTKWCUPEAIKOSG-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1 ZINC000037989182 384049954 /nfs/dbraw/zinc/04/99/54/384049954.db2.gz HGONYDRLLMDCEO-UHFFFAOYSA-N 1 2 229.327 2.570 20 0 BFADLO CC[C@H](CNc1cc(C)[nH+]c(C(C)C)n1)OC ZINC000310215405 384083801 /nfs/dbraw/zinc/08/38/01/384083801.db2.gz DEGLBJTXNBBIOM-LLVKDONJSA-N 1 2 237.347 2.745 20 0 BFADLO CC[C@H](COC)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803522 384075650 /nfs/dbraw/zinc/07/56/50/384075650.db2.gz BDMNSMNZTAYWDX-SECBINFHSA-N 1 2 248.248 2.937 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2nonc2C)cc1 ZINC000070261708 384096178 /nfs/dbraw/zinc/09/61/78/384096178.db2.gz MAYAKDNFYFFJQP-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccc(F)c(C[NH2+]C(CF)CF)c1 ZINC000449381272 384099961 /nfs/dbraw/zinc/09/99/61/384099961.db2.gz RJJRVSTZNDNTNK-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO Fc1cccnc1C[NH2+][C@H]1CCCc2occc21 ZINC000530471747 384103038 /nfs/dbraw/zinc/10/30/38/384103038.db2.gz MVWVNLNIPSPEHN-LBPRGKRZSA-N 1 2 246.285 2.981 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1nccs1 ZINC000070621423 384124379 /nfs/dbraw/zinc/12/43/79/384124379.db2.gz ULVKCUDVWIORQB-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO Cc1noc(C)c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119069722 384231471 /nfs/dbraw/zinc/23/14/71/384231471.db2.gz HFDFREYCQKFKRC-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000072630223 384228577 /nfs/dbraw/zinc/22/85/77/384228577.db2.gz DYPJNXGQZIAFOK-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)o1 ZINC000072630223 384228580 /nfs/dbraw/zinc/22/85/80/384228580.db2.gz DYPJNXGQZIAFOK-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO c1csc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000132693306 384243153 /nfs/dbraw/zinc/24/31/53/384243153.db2.gz VBKRGRSTHYSWKU-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1csc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000132693306 384243156 /nfs/dbraw/zinc/24/31/56/384243156.db2.gz VBKRGRSTHYSWKU-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Clc1ccccc1C1(NCc2[nH]cc[nH+]2)CC1 ZINC000647224164 384249737 /nfs/dbraw/zinc/24/97/37/384249737.db2.gz UVDNVAXAHDMADB-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO Clc1ccccc1C1([NH2+]Cc2ncc[nH]2)CC1 ZINC000647224164 384249741 /nfs/dbraw/zinc/24/97/41/384249741.db2.gz UVDNVAXAHDMADB-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO Cc1ccc(NC(=O)C2CCCC2)c(C)[nH+]1 ZINC000119345808 384261354 /nfs/dbraw/zinc/26/13/54/384261354.db2.gz OMYRNUSJTQQIMR-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO CCC[C@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000133467829 384266455 /nfs/dbraw/zinc/26/64/55/384266455.db2.gz XDKALOKNBWRNRN-NSHDSACASA-N 1 2 221.348 2.996 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768118 384269246 /nfs/dbraw/zinc/26/92/46/384269246.db2.gz WLNIAXLTIKRELS-ZDUSSCGKSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000093768118 384269251 /nfs/dbraw/zinc/26/92/51/384269251.db2.gz WLNIAXLTIKRELS-ZDUSSCGKSA-N 1 2 249.335 2.915 20 0 BFADLO Cc1ccc(O)c(CNc2ccc(C)[nH+]c2C)n1 ZINC000094664816 384309819 /nfs/dbraw/zinc/30/98/19/384309819.db2.gz VBBSPQRSINEIJU-UHFFFAOYSA-N 1 2 243.310 2.720 20 0 BFADLO C[C@@H](CCCO)Nc1ccc2ccccc2[nH+]1 ZINC000094944777 384320081 /nfs/dbraw/zinc/32/00/81/384320081.db2.gz JAHDLAQHZBHEHT-NSHDSACASA-N 1 2 230.311 2.808 20 0 BFADLO C[C@H]([NH2+]C/C=C/c1ccncc1)C(C)(F)F ZINC000449413359 384298042 /nfs/dbraw/zinc/29/80/42/384298042.db2.gz IBZHPMRSOVMWNH-FSIBCCDJSA-N 1 2 226.270 2.728 20 0 BFADLO Cc1cc(C)cc([N@H+](C)CC[C@H]2CCOC2=O)c1 ZINC000120214853 384339030 /nfs/dbraw/zinc/33/90/30/384339030.db2.gz FFHGEYVOZKBKJP-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)CC[C@H]2CCOC2=O)c1 ZINC000120214853 384339040 /nfs/dbraw/zinc/33/90/40/384339040.db2.gz FFHGEYVOZKBKJP-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO CCC1(CNC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000120453522 384354091 /nfs/dbraw/zinc/35/40/91/384354091.db2.gz DQLCFZUANPIBJP-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO COCC[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000045020067 384370218 /nfs/dbraw/zinc/37/02/18/384370218.db2.gz ATTQKYSPHGSADO-LBPRGKRZSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccco2)s1 ZINC000135009117 384406145 /nfs/dbraw/zinc/40/61/45/384406145.db2.gz BZSGTCAQXPZTDK-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1cccn2c(C[N@@H+]3CCC[C@H](F)C3)cnc12 ZINC000517750139 384408867 /nfs/dbraw/zinc/40/88/67/384408867.db2.gz VNRUFYOSEYVVIR-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(C[N@H+]3CCC[C@H](F)C3)cnc12 ZINC000517750139 384408873 /nfs/dbraw/zinc/40/88/73/384408873.db2.gz VNRUFYOSEYVVIR-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(CN3CCC[C@H](F)C3)c[nH+]c12 ZINC000517750139 384408878 /nfs/dbraw/zinc/40/88/78/384408878.db2.gz VNRUFYOSEYVVIR-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@H]1C ZINC000121424115 384416610 /nfs/dbraw/zinc/41/66/10/384416610.db2.gz ZXZMEUOOJMVCTN-MWLCHTKSSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCC(C)C ZINC000121479354 384418558 /nfs/dbraw/zinc/41/85/58/384418558.db2.gz VVGALSRGQVPQQI-UHFFFAOYSA-N 1 2 221.304 2.558 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@H]1C ZINC000121507185 384420207 /nfs/dbraw/zinc/42/02/07/384420207.db2.gz GSPWUJWASVCKIG-MWLCHTKSSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1ccc(NC2CCSCC2)c[nH+]1 ZINC000096033316 384424749 /nfs/dbraw/zinc/42/47/49/384424749.db2.gz CUOAHVVKLSEFBC-UHFFFAOYSA-N 1 2 208.330 2.698 20 0 BFADLO Cc1ccc(NCc2cncc(F)c2)c[nH+]1 ZINC000335602271 384375805 /nfs/dbraw/zinc/37/58/05/384375805.db2.gz AFJZTLYHZLBGFH-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076149735 384445943 /nfs/dbraw/zinc/44/59/43/384445943.db2.gz DWKONOBOGMZCKN-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)no1 ZINC000076149735 384445945 /nfs/dbraw/zinc/44/59/45/384445945.db2.gz DWKONOBOGMZCKN-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCCOC2)c1 ZINC000078612437 384451215 /nfs/dbraw/zinc/45/12/15/384451215.db2.gz RSISHAXTZVGKDI-SECBINFHSA-N 1 2 246.232 2.691 20 0 BFADLO CC[C@@H](COC)Nc1ccc([NH+](C)C)cc1C ZINC000079719035 384511446 /nfs/dbraw/zinc/51/14/46/384511446.db2.gz CLQRMWYOEDSRPV-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccs1 ZINC000049370454 384533994 /nfs/dbraw/zinc/53/39/94/384533994.db2.gz ODMWXVXAYFKAOM-NXEZZACHSA-N 1 2 241.356 2.740 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ncc[nH]1 ZINC000335052686 384514492 /nfs/dbraw/zinc/51/44/92/384514492.db2.gz GFSWUWUZRHMRLF-SECBINFHSA-N 1 2 228.299 2.551 20 0 BFADLO Cc1c[nH+]cc(NCc2cncc(F)c2)c1 ZINC000335867184 384530711 /nfs/dbraw/zinc/53/07/11/384530711.db2.gz SFXGOKVUBCNNAB-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1ccc(N[C@H](C)CCn2cccn2)c(C)[nH+]1 ZINC000183938547 384542241 /nfs/dbraw/zinc/54/22/41/384542241.db2.gz ZSXCCBYNTDDNGK-GFCCVEGCSA-N 1 2 244.342 2.786 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CC=C(C)C)[C@H](C)CC ZINC000183591425 384546333 /nfs/dbraw/zinc/54/63/33/384546333.db2.gz POIAYTTZDFFHNY-VXGBXAGGSA-N 1 2 227.348 2.520 20 0 BFADLO CC1(C)Oc2ccc(NCc3[nH]cc[nH+]3)cc2O1 ZINC000049714920 384561856 /nfs/dbraw/zinc/56/18/56/384561856.db2.gz XLYWWFZIPBTECB-UHFFFAOYSA-N 1 2 245.282 2.529 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)cc1F ZINC000049714955 384562152 /nfs/dbraw/zinc/56/21/52/384562152.db2.gz KAACRZIPTWTXLC-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO COC[C@H]([NH2+]Cc1ccco1)c1ccc(C)o1 ZINC000080237298 384537409 /nfs/dbraw/zinc/53/74/09/384537409.db2.gz PARYCSOXXPWLHO-LBPRGKRZSA-N 1 2 235.283 2.658 20 0 BFADLO Cc1nc(C)c(COc2cc[nH+]cc2)s1 ZINC000334877941 384608500 /nfs/dbraw/zinc/60/85/00/384608500.db2.gz NQJATGHBTBLPEK-UHFFFAOYSA-N 1 2 220.297 2.734 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000050507473 384628143 /nfs/dbraw/zinc/62/81/43/384628143.db2.gz BASPHJTZRWTUIZ-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CCC[N@H+](CCCOC(C)C)CC(F)F ZINC000171501280 384593406 /nfs/dbraw/zinc/59/34/06/384593406.db2.gz NFEDPVRUPOAPBB-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CCC[N@@H+](CCCOC(C)C)CC(F)F ZINC000171501280 384593412 /nfs/dbraw/zinc/59/34/12/384593412.db2.gz NFEDPVRUPOAPBB-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1ccncc1F ZINC000309804818 384634077 /nfs/dbraw/zinc/63/40/77/384634077.db2.gz RUYOORBHBYHVIX-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2cnccn2)o1 ZINC000184420486 384601627 /nfs/dbraw/zinc/60/16/27/384601627.db2.gz AKAPZVMLUVHWIE-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H](C)c2cnccn2)o1 ZINC000184420486 384601636 /nfs/dbraw/zinc/60/16/36/384601636.db2.gz AKAPZVMLUVHWIE-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO FC(F)(F)[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000336657707 384670266 /nfs/dbraw/zinc/67/02/66/384670266.db2.gz PTYZTWUAKUQDFF-VIFPVBQESA-N 1 2 207.239 2.860 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(Cl)cc1 ZINC000184688476 384636472 /nfs/dbraw/zinc/63/64/72/384636472.db2.gz XBDXPMIHILUCQK-MRVPVSSYSA-N 1 2 249.688 2.618 20 0 BFADLO CCc1ccc(/C=C/c2nc(C[NH2+]C)no2)cc1 ZINC000556907061 384636600 /nfs/dbraw/zinc/63/66/00/384636600.db2.gz UXSVUVGNLLCKDF-CMDGGOBGSA-N 1 2 243.310 2.522 20 0 BFADLO O=C(CC1CCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000172930991 384639181 /nfs/dbraw/zinc/63/91/81/384639181.db2.gz JUFKQDQNGATZFK-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO CCc1ccc(C[NH2+][C@@](C)(CC)C(=O)OC)cc1 ZINC000428295531 384641437 /nfs/dbraw/zinc/64/14/37/384641437.db2.gz KVSOLDWSPUQLHX-HNNXBMFYSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000173173268 384658952 /nfs/dbraw/zinc/65/89/52/384658952.db2.gz YXLSGOZAEMEXQH-VXGBXAGGSA-N 1 2 248.326 2.676 20 0 BFADLO O=C(C1CCCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082278159 384660648 /nfs/dbraw/zinc/66/06/48/384660648.db2.gz UVEZCQWGMKCEJJ-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO FC1(F)CCCC[C@H]1Cn1cc[nH+]c1 ZINC000294298398 384660910 /nfs/dbraw/zinc/66/09/10/384660910.db2.gz UUFFQNJQLFNQPF-VIFPVBQESA-N 1 2 200.232 2.709 20 0 BFADLO CSCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000124936860 384687620 /nfs/dbraw/zinc/68/76/20/384687620.db2.gz JKZNQDJSRXAFQU-UHFFFAOYSA-N 1 2 233.340 2.885 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1csc(C)n1 ZINC000125056222 384693706 /nfs/dbraw/zinc/69/37/06/384693706.db2.gz WQPAZKGROSJPEI-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1csc(C)n1 ZINC000125056222 384693710 /nfs/dbraw/zinc/69/37/10/384693710.db2.gz WQPAZKGROSJPEI-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(NC(=O)CC(C)(C)C)cc[nH+]1 ZINC000072709743 384702377 /nfs/dbraw/zinc/70/23/77/384702377.db2.gz CEGQHDMRIKYNNZ-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO c1ccc(N2CC[C@H](Cc3ccncc3)C2)[nH+]c1 ZINC000363696656 384703152 /nfs/dbraw/zinc/70/31/52/384703152.db2.gz GIYWVIUFQDENIH-CQSZACIVSA-N 1 2 239.322 2.546 20 0 BFADLO Cc1c[nH+]c(C)nc1NCC1CCCCC1 ZINC000582092322 384747255 /nfs/dbraw/zinc/74/72/55/384747255.db2.gz LMYVCCAPDONXOY-UHFFFAOYSA-N 1 2 219.332 2.508 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000171973922 384834544 /nfs/dbraw/zinc/83/45/44/384834544.db2.gz ASTATKZKTXPZLG-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000053422773 384787096 /nfs/dbraw/zinc/78/70/96/384787096.db2.gz HMYAKHIVMGIUHC-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000053422773 384787104 /nfs/dbraw/zinc/78/71/04/384787104.db2.gz HMYAKHIVMGIUHC-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)C1=CCCCC1 ZINC000126275502 384788795 /nfs/dbraw/zinc/78/87/95/384788795.db2.gz PXFNJDYRALAFNA-UHFFFAOYSA-N 1 2 245.326 2.587 20 0 BFADLO CC(C)C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccncc1 ZINC000647288579 384803180 /nfs/dbraw/zinc/80/31/80/384803180.db2.gz HQIMBSOUQOWTRO-CQSZACIVSA-N 1 2 244.342 2.682 20 0 BFADLO O[C@@H]1CCCC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631093571 384870199 /nfs/dbraw/zinc/87/01/99/384870199.db2.gz LHJWQIQLUZAEHP-UONOGXRCSA-N 1 2 242.322 2.950 20 0 BFADLO C[C@@H](CNc1cccc[nH+]1)C(F)(F)F ZINC000306303254 384871362 /nfs/dbraw/zinc/87/13/62/384871362.db2.gz HKMXOSBOTKSURQ-ZETCQYMHSA-N 1 2 204.195 2.692 20 0 BFADLO CCCc1nc(C)c(C[NH2+][C@H](C)c2ncc[nH]2)o1 ZINC000293344312 384839024 /nfs/dbraw/zinc/83/90/24/384839024.db2.gz GSJZYZSKSZANJU-SNVBAGLBSA-N 1 2 248.330 2.509 20 0 BFADLO CCCc1nc(C)c(CN[C@H](C)c2[nH]cc[nH+]2)o1 ZINC000293344312 384839029 /nfs/dbraw/zinc/83/90/29/384839029.db2.gz GSJZYZSKSZANJU-SNVBAGLBSA-N 1 2 248.330 2.509 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000647200420 384888137 /nfs/dbraw/zinc/88/81/37/384888137.db2.gz GBYTZBSFRBRKKZ-MFKMUULPSA-N 1 2 232.327 2.550 20 0 BFADLO CCCc1[nH+]c2ccccc2n1C[C@@H](O)CC ZINC000156350198 384844499 /nfs/dbraw/zinc/84/44/99/384844499.db2.gz MLIKOTCJSSIMON-NSHDSACASA-N 1 2 232.327 2.760 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SC1CCCCC1 ZINC000054843571 384857784 /nfs/dbraw/zinc/85/77/84/384857784.db2.gz LUFWJBWLWCFBRN-UHFFFAOYSA-N 1 2 248.355 2.788 20 0 BFADLO COCc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000054935978 384861920 /nfs/dbraw/zinc/86/19/20/384861920.db2.gz QGTFSRPWQRNKAR-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CC(C)c1nc(NC2CCCC2)cc[nH+]1 ZINC000301166080 384864136 /nfs/dbraw/zinc/86/41/36/384864136.db2.gz HVLCPWSPZCIKQI-UHFFFAOYSA-N 1 2 205.305 2.955 20 0 BFADLO CC[C@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000301272044 384866209 /nfs/dbraw/zinc/86/62/09/384866209.db2.gz HWVYDVDQQDRPNQ-VHSXEESVSA-N 1 2 205.305 2.810 20 0 BFADLO CC[C@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000301272042 384868720 /nfs/dbraw/zinc/86/87/20/384868720.db2.gz HWVYDVDQQDRPNQ-UWVGGRQHSA-N 1 2 205.305 2.810 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC1(Cl)Cl ZINC000107291811 384960929 /nfs/dbraw/zinc/96/09/29/384960929.db2.gz AUNUMDFZXSCOAG-SSDOTTSWSA-N 1 2 245.109 2.522 20 0 BFADLO Clc1ccc(CCNc2cccc[nH+]2)cn1 ZINC000301675736 384908564 /nfs/dbraw/zinc/90/85/64/384908564.db2.gz SGCAPMXUNDLRRQ-UHFFFAOYSA-N 1 2 233.702 2.785 20 0 BFADLO FC(F)CSc1[nH+]cc2ccccn21 ZINC000106405034 384911901 /nfs/dbraw/zinc/91/19/01/384911901.db2.gz HXSPJYIOXQSXBR-UHFFFAOYSA-N 1 2 214.240 2.692 20 0 BFADLO CC[N@H+](Cc1csnn1)Cc1ccc(C)cc1 ZINC000557382743 384921887 /nfs/dbraw/zinc/92/18/87/384921887.db2.gz VYSTURZWVXPVKL-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1csnn1)Cc1ccc(C)cc1 ZINC000557382743 384921891 /nfs/dbraw/zinc/92/18/91/384921891.db2.gz VYSTURZWVXPVKL-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1cc(Cl)ccc1NCc1c[nH+]cn1C ZINC000085167788 384923386 /nfs/dbraw/zinc/92/33/86/384923386.db2.gz IHEBKYPTNLEKGQ-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177239174 384926710 /nfs/dbraw/zinc/92/67/10/384926710.db2.gz OHPLHYQEYVWYPX-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177239174 384926717 /nfs/dbraw/zinc/92/67/17/384926717.db2.gz OHPLHYQEYVWYPX-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177239160 384927849 /nfs/dbraw/zinc/92/78/49/384927849.db2.gz OHPLHYQEYVWYPX-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177239160 384927855 /nfs/dbraw/zinc/92/78/55/384927855.db2.gz OHPLHYQEYVWYPX-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccns2)sc1C ZINC000404312521 384969859 /nfs/dbraw/zinc/96/98/59/384969859.db2.gz MCQFRDFWXCGCJO-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2conc2C)n1 ZINC000339225867 384976574 /nfs/dbraw/zinc/97/65/74/384976574.db2.gz PPEKMVMGLGHFSX-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1F)C[C@H]1CCCO1 ZINC000128115544 384995752 /nfs/dbraw/zinc/99/57/52/384995752.db2.gz MRKPHRWLHHNRSI-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[N@H+](Cc1c(F)cccc1F)C[C@H]1CCCO1 ZINC000128115544 384995760 /nfs/dbraw/zinc/99/57/60/384995760.db2.gz MRKPHRWLHHNRSI-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO COC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000129514429 385001333 /nfs/dbraw/zinc/00/13/33/385001333.db2.gz MLEODSDRLYTGOI-GFCCVEGCSA-N 1 2 249.358 2.745 20 0 BFADLO CCCc1noc(C[NH2+][C@@H](C)c2ccccc2)n1 ZINC000128147257 385003557 /nfs/dbraw/zinc/00/35/57/385003557.db2.gz FBBZXNXDKDIHQE-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1cncc(F)c1 ZINC000128206487 385013858 /nfs/dbraw/zinc/01/38/58/385013858.db2.gz GRJAGYIILWLSPR-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CCOC(=O)C[N@H+](CC)C/C=C\c1ccccc1 ZINC000219073621 385023212 /nfs/dbraw/zinc/02/32/12/385023212.db2.gz OGHLRLZNFYQXPU-FLIBITNWSA-N 1 2 247.338 2.585 20 0 BFADLO CCOC(=O)C[N@@H+](CC)C/C=C\c1ccccc1 ZINC000219073621 385023216 /nfs/dbraw/zinc/02/32/16/385023216.db2.gz OGHLRLZNFYQXPU-FLIBITNWSA-N 1 2 247.338 2.585 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000107291808 384962818 /nfs/dbraw/zinc/96/28/18/384962818.db2.gz AUNUMDFZXSCOAG-ZETCQYMHSA-N 1 2 245.109 2.522 20 0 BFADLO CCC[C@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000360282841 385051433 /nfs/dbraw/zinc/05/14/33/385051433.db2.gz LMIJFQABUDDNQD-QWRGUYRKSA-N 1 2 243.310 2.709 20 0 BFADLO CCC[C@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000360282842 385052987 /nfs/dbraw/zinc/05/29/87/385052987.db2.gz LMIJFQABUDDNQD-WDEREUQCSA-N 1 2 243.310 2.709 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164938153 385054074 /nfs/dbraw/zinc/05/40/74/385054074.db2.gz DZPIAHXGNDZQQV-RYUDHWBXSA-N 1 2 236.359 2.896 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1ccc(Cl)cc1 ZINC000150872748 385069751 /nfs/dbraw/zinc/06/97/51/385069751.db2.gz ZMWGWEGGGZZYDX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1ccc(Cl)cc1 ZINC000150872748 385069760 /nfs/dbraw/zinc/06/97/60/385069760.db2.gz ZMWGWEGGGZZYDX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1ccc(N[C@@H]2CCSC2)c(C)[nH+]1 ZINC000087151507 385077501 /nfs/dbraw/zinc/07/75/01/385077501.db2.gz ZMKSGASOMDXPSQ-SNVBAGLBSA-N 1 2 208.330 2.616 20 0 BFADLO Cc1ccc(NC[C@H]2CCC=CO2)c(C)[nH+]1 ZINC000087151742 385078913 /nfs/dbraw/zinc/07/89/13/385078913.db2.gz GAUUABPYRAGTPC-GFCCVEGCSA-N 1 2 218.300 2.803 20 0 BFADLO Cc1ccc(NC(=O)CCc2ccco2)c(C)[nH+]1 ZINC000176186928 385034746 /nfs/dbraw/zinc/03/47/46/385034746.db2.gz ASKAKWFLBAYVQT-UHFFFAOYSA-N 1 2 244.294 2.863 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000176194876 385036098 /nfs/dbraw/zinc/03/60/98/385036098.db2.gz YCJBEJUCRVVWLA-VIFPVBQESA-N 1 2 218.300 2.683 20 0 BFADLO Cc1ccc(NC(=O)C=C2CCC2)c(C)[nH+]1 ZINC000176198030 385037185 /nfs/dbraw/zinc/03/71/85/385037185.db2.gz NHMUAJUGRGPLDT-UHFFFAOYSA-N 1 2 216.284 2.747 20 0 BFADLO C[C@H](CO)[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354327179 385112264 /nfs/dbraw/zinc/11/22/64/385112264.db2.gz HOPOBPWUXVXEJA-ZJUUUORDSA-N 1 2 248.301 2.803 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000176738046 385142207 /nfs/dbraw/zinc/14/22/07/385142207.db2.gz WWUMYQADVULXIC-GFCCVEGCSA-N 1 2 245.326 2.929 20 0 BFADLO CCCc1nc(C[N@H+](CC)C[C@@H](C)CC)no1 ZINC000177852320 385126318 /nfs/dbraw/zinc/12/63/18/385126318.db2.gz ZNUNYVPEUFJRKE-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO CCCc1nc(C[N@@H+](CC)C[C@@H](C)CC)no1 ZINC000177852320 385126321 /nfs/dbraw/zinc/12/63/21/385126321.db2.gz ZNUNYVPEUFJRKE-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO CCc1nc(C[N@@H+](CC)C[C@H](C)CC)no1 ZINC000177848198 385126457 /nfs/dbraw/zinc/12/64/57/385126457.db2.gz DMTMHXBKDZUZKU-SNVBAGLBSA-N 1 2 225.336 2.500 20 0 BFADLO CCc1nc(C[N@H+](CC)C[C@H](C)CC)no1 ZINC000177848198 385126464 /nfs/dbraw/zinc/12/64/64/385126464.db2.gz DMTMHXBKDZUZKU-SNVBAGLBSA-N 1 2 225.336 2.500 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000088549585 385129078 /nfs/dbraw/zinc/12/90/78/385129078.db2.gz IALKMHNRNNSMCP-NSHDSACASA-N 1 2 235.327 2.849 20 0 BFADLO c1c2ccccc2sc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644716997 385135580 /nfs/dbraw/zinc/13/55/80/385135580.db2.gz UTFIAGGYELTXOW-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO c1c2ccccc2sc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644716997 385135585 /nfs/dbraw/zinc/13/55/85/385135585.db2.gz UTFIAGGYELTXOW-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO CCCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644717113 385136223 /nfs/dbraw/zinc/13/62/23/385136223.db2.gz IWGVYVLSFMVOTF-CABCVRRESA-N 1 2 231.339 2.612 20 0 BFADLO CCCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644717113 385136228 /nfs/dbraw/zinc/13/62/28/385136228.db2.gz IWGVYVLSFMVOTF-CABCVRRESA-N 1 2 231.339 2.612 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(Cl)o1 ZINC000107290768 385188162 /nfs/dbraw/zinc/18/81/62/385188162.db2.gz VGNLLBDDRDIAFP-UHFFFAOYSA-N 1 2 236.658 2.889 20 0 BFADLO Clc1sccc1C[NH+]1CCSCC1 ZINC000306765516 385191546 /nfs/dbraw/zinc/19/15/46/385191546.db2.gz CINCBNOILHWCTB-UHFFFAOYSA-N 1 2 233.789 2.950 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+]1Cc2cccnc2C1 ZINC000559758299 385154680 /nfs/dbraw/zinc/15/46/80/385154680.db2.gz CTASOOPYSVGQHI-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1ccccn1)[N@H+]1Cc2cccnc2C1 ZINC000559758299 385154684 /nfs/dbraw/zinc/15/46/84/385154684.db2.gz CTASOOPYSVGQHI-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1Cc2cccnc2C1 ZINC000559760749 385156364 /nfs/dbraw/zinc/15/63/64/385156364.db2.gz TXULUHDXIGAEAQ-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1Cc2cccnc2C1 ZINC000559760749 385156366 /nfs/dbraw/zinc/15/63/66/385156366.db2.gz TXULUHDXIGAEAQ-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO CCCCN(Cc1c[nH+]cn1C)CC(F)(F)F ZINC000177030765 385169506 /nfs/dbraw/zinc/16/95/06/385169506.db2.gz DVJYDBJIHNWLTQ-UHFFFAOYSA-N 1 2 249.280 2.585 20 0 BFADLO CSc1ccc(N[C@@H]2CCOC[C@H]2C)[nH+]c1 ZINC000280436093 385310062 /nfs/dbraw/zinc/31/00/62/385310062.db2.gz XWDNGRRHICQYQB-MWLCHTKSSA-N 1 2 238.356 2.640 20 0 BFADLO CC[N@H+](CCc1ccccc1)Cc1csnn1 ZINC000153700875 385273480 /nfs/dbraw/zinc/27/34/80/385273480.db2.gz HGZPGVLCBCDCAU-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CC[N@@H+](CCc1ccccc1)Cc1csnn1 ZINC000153700875 385273492 /nfs/dbraw/zinc/27/34/92/385273492.db2.gz HGZPGVLCBCDCAU-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CC[C@@H](C)CSc1[nH+]cnc2c1cnn2C ZINC000154539623 385335038 /nfs/dbraw/zinc/33/50/38/385335038.db2.gz OJGDQBWFEZVLCF-MRVPVSSYSA-N 1 2 236.344 2.502 20 0 BFADLO C[N@H+](Cc1cocn1)Cc1ccc(Cl)cc1 ZINC000191920998 385335259 /nfs/dbraw/zinc/33/52/59/385335259.db2.gz VCJALDMWMTVJFH-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1cocn1)Cc1ccc(Cl)cc1 ZINC000191920998 385335261 /nfs/dbraw/zinc/33/52/61/385335261.db2.gz VCJALDMWMTVJFH-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)c[nH+]1 ZINC000407998044 385343621 /nfs/dbraw/zinc/34/36/21/385343621.db2.gz QHYOXVFFRIPBAH-NWDGAFQWSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)c[nH+]1 ZINC000407998369 385344748 /nfs/dbraw/zinc/34/47/48/385344748.db2.gz QZMWLJCRWJJFLG-GXSJLCMTSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1nc(N2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000178230289 385345157 /nfs/dbraw/zinc/34/51/57/385345157.db2.gz XFWLOKKWBPPOLK-STQMWFEESA-N 1 2 231.343 2.944 20 0 BFADLO CC(C)n1cc(CNc2cc[nH+]cc2F)cn1 ZINC000192149176 385345942 /nfs/dbraw/zinc/34/59/42/385345942.db2.gz KBDCXQJHHOXMAB-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NCc1cocn1 ZINC000192336554 385353499 /nfs/dbraw/zinc/35/34/99/385353499.db2.gz PUMXFHSLBFCJRW-UHFFFAOYSA-N 1 2 247.298 2.859 20 0 BFADLO COC(=O)C1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000192446833 385357029 /nfs/dbraw/zinc/35/70/29/385357029.db2.gz DMIVQQVHFDKRMS-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO CCCCCC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178358229 385359155 /nfs/dbraw/zinc/35/91/55/385359155.db2.gz GBIIRENNQMKGEN-UHFFFAOYSA-N 1 2 245.326 2.531 20 0 BFADLO Cc1cc[nH+]c(N[C@H](C)C[C@H](C)O)c1Cl ZINC000309026613 385377114 /nfs/dbraw/zinc/37/71/14/385377114.db2.gz BALPIDXNXXILMS-BDAKNGLRSA-N 1 2 228.723 2.615 20 0 BFADLO CC(=O)CC(C)(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000191846369 385328609 /nfs/dbraw/zinc/32/86/09/385328609.db2.gz KCHHNYUPPUPBFT-UHFFFAOYSA-N 1 2 248.326 2.724 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000178591218 385396023 /nfs/dbraw/zinc/39/60/23/385396023.db2.gz CNVBHGGHOAGPAV-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000178591218 385396029 /nfs/dbraw/zinc/39/60/29/385396029.db2.gz CNVBHGGHOAGPAV-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO Cc1cc[nH+]c(NCCC2CC(O)C2)c1Cl ZINC000336710676 385407094 /nfs/dbraw/zinc/40/70/94/385407094.db2.gz RVIBMIFHANDRIR-UHFFFAOYSA-N 1 2 240.734 2.616 20 0 BFADLO CCOc1ccc([NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000195046474 385457920 /nfs/dbraw/zinc/45/79/20/385457920.db2.gz XFHKKRBPODSFJV-RISCZKNCSA-N 1 2 235.327 2.922 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nccn1C ZINC000170956003 385457949 /nfs/dbraw/zinc/45/79/49/385457949.db2.gz LRZVRMIAXKNNTM-GFCCVEGCSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nccn1C ZINC000170956003 385457954 /nfs/dbraw/zinc/45/79/54/385457954.db2.gz LRZVRMIAXKNNTM-GFCCVEGCSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000155980480 385427578 /nfs/dbraw/zinc/42/75/78/385427578.db2.gz HJTPNQXBYXVGMO-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000155980480 385427581 /nfs/dbraw/zinc/42/75/81/385427581.db2.gz HJTPNQXBYXVGMO-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cocn1 ZINC000182077029 385428518 /nfs/dbraw/zinc/42/85/18/385428518.db2.gz QIVLSLODJICQEJ-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO COC(=O)C[N@H+](C)Cc1cc2ccccc2s1 ZINC000179393775 385465253 /nfs/dbraw/zinc/46/52/53/385465253.db2.gz ATKMVBSNGXMAEE-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1cc2ccccc2s1 ZINC000179393775 385465257 /nfs/dbraw/zinc/46/52/57/385465257.db2.gz ATKMVBSNGXMAEE-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cncs1 ZINC000179564498 385473416 /nfs/dbraw/zinc/47/34/16/385473416.db2.gz GBLXBDMFBZGSCM-JTQLQIEISA-N 1 2 233.340 2.521 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cncs1 ZINC000179564498 385473419 /nfs/dbraw/zinc/47/34/19/385473419.db2.gz GBLXBDMFBZGSCM-JTQLQIEISA-N 1 2 233.340 2.521 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000179564966 385474318 /nfs/dbraw/zinc/47/43/18/385474318.db2.gz DYJMSIUCDUUWGU-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000179564966 385474321 /nfs/dbraw/zinc/47/43/21/385474321.db2.gz DYJMSIUCDUUWGU-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000156612984 385460791 /nfs/dbraw/zinc/46/07/91/385460791.db2.gz IGOMEESRFWJUHP-GHMZBOCLSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC(C1CC1)C1CC1 ZINC000179849603 385494092 /nfs/dbraw/zinc/49/40/92/385494092.db2.gz PLPQXNLMOIKGBQ-UHFFFAOYSA-N 1 2 245.326 2.700 20 0 BFADLO CC[C@@H](C)CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000179874547 385495781 /nfs/dbraw/zinc/49/57/81/385495781.db2.gz JWBZTXLKOXKVMX-SNVBAGLBSA-N 1 2 235.331 2.900 20 0 BFADLO CC[C@@H]([NH2+]CC(=O)OC)C(C)(C)c1ccccc1 ZINC000180004692 385501675 /nfs/dbraw/zinc/50/16/75/385501675.db2.gz JPKKPYBDFBVULW-CYBMUJFWSA-N 1 2 249.354 2.505 20 0 BFADLO CCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000180020349 385503750 /nfs/dbraw/zinc/50/37/50/385503750.db2.gz NIBSMBPYLIEFKM-UHFFFAOYSA-N 1 2 200.285 2.884 20 0 BFADLO CCO[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000336775896 385507041 /nfs/dbraw/zinc/50/70/41/385507041.db2.gz DBBRDVZJJIKVHW-RKDXNWHRSA-N 1 2 233.302 2.577 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)c(C)c1 ZINC000109890550 385490146 /nfs/dbraw/zinc/49/01/46/385490146.db2.gz QZIOVXGHKNNTLI-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO CC(C)(C)C[C@@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000180366236 385519493 /nfs/dbraw/zinc/51/94/93/385519493.db2.gz GXIHWCRUJRJSBK-MRVPVSSYSA-N 1 2 249.280 2.866 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccoc2C)s1 ZINC000180445925 385522456 /nfs/dbraw/zinc/52/24/56/385522456.db2.gz JTKPKZDENZXIJI-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccoc2C)s1 ZINC000180445925 385522460 /nfs/dbraw/zinc/52/24/60/385522460.db2.gz JTKPKZDENZXIJI-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000171862226 385524689 /nfs/dbraw/zinc/52/46/89/385524689.db2.gz YNHUMEACTWXTAZ-UHFFFAOYSA-N 1 2 205.305 2.812 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(Cl)ccn1 ZINC000107038586 385552296 /nfs/dbraw/zinc/55/22/96/385552296.db2.gz CHYANGJFZLAHTQ-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1ccc(O)c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107038855 385552929 /nfs/dbraw/zinc/55/29/29/385552929.db2.gz CYZVQQBWBZFRLP-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(F)c(F)c1 ZINC000107287606 385562750 /nfs/dbraw/zinc/56/27/50/385562750.db2.gz NQHGQBTXIDFOQV-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCc1ccccc1 ZINC000107285897 385563154 /nfs/dbraw/zinc/56/31/54/385563154.db2.gz NWELBALPJUAGPP-UHFFFAOYSA-N 1 2 240.306 2.961 20 0 BFADLO O=C(CCCC1CC1)Nc1ccc2[nH+]ccn2c1 ZINC000643206023 385596058 /nfs/dbraw/zinc/59/60/58/385596058.db2.gz VRTUDSYWJAEQFL-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000181792964 385605174 /nfs/dbraw/zinc/60/51/74/385605174.db2.gz YXVGBLUSVZSCPZ-VXGBXAGGSA-N 1 2 249.354 2.504 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000181792948 385605749 /nfs/dbraw/zinc/60/57/49/385605749.db2.gz YXVGBLUSVZSCPZ-NWDGAFQWSA-N 1 2 249.354 2.504 20 0 BFADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)s1 ZINC000054764493 385656517 /nfs/dbraw/zinc/65/65/17/385656517.db2.gz WPJNDILCFBOSTR-SSDOTTSWSA-N 1 2 241.747 2.975 20 0 BFADLO Cc1ncsc1CNc1c[nH+]cc(C)c1 ZINC000119557142 385673765 /nfs/dbraw/zinc/67/37/65/385673765.db2.gz YZLVXCBNODNLPX-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(F)(F)F ZINC000309569208 385705059 /nfs/dbraw/zinc/70/50/59/385705059.db2.gz NDRMMXJSUGLVDR-GUBZILKMSA-N 1 2 239.281 2.588 20 0 BFADLO FC(F)(F)CCSCCn1cc[nH+]c1 ZINC000270466536 385710395 /nfs/dbraw/zinc/71/03/95/385710395.db2.gz FNBJMROZFDGEMJ-UHFFFAOYSA-N 1 2 224.251 2.569 20 0 BFADLO CCCC[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000337454512 385668614 /nfs/dbraw/zinc/66/86/14/385668614.db2.gz JLZPVTNYXOEQQW-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO CSCCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000281943405 385716894 /nfs/dbraw/zinc/71/68/94/385716894.db2.gz SLNUQYDPKPJUJD-UHFFFAOYSA-N 1 2 237.372 2.543 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC000183247822 385747140 /nfs/dbraw/zinc/74/71/40/385747140.db2.gz DLYZYXMJFWQDND-SNVBAGLBSA-N 1 2 239.750 2.614 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC000183247822 385747145 /nfs/dbraw/zinc/74/71/45/385747145.db2.gz DLYZYXMJFWQDND-SNVBAGLBSA-N 1 2 239.750 2.614 20 0 BFADLO CCCCN(CCn1cc[nH+]c1)CC(F)(F)F ZINC000270854731 385753991 /nfs/dbraw/zinc/75/39/91/385753991.db2.gz IRAXMKNGONCHEF-UHFFFAOYSA-N 1 2 249.280 2.548 20 0 BFADLO CCC[C@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643225030 385767626 /nfs/dbraw/zinc/76/76/26/385767626.db2.gz YCNXXLBCSOTKQS-JTQLQIEISA-N 1 2 249.358 2.686 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc[nH]n1 ZINC000271031303 385772837 /nfs/dbraw/zinc/77/28/37/385772837.db2.gz HVGNHJOVQGREKO-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000271031303 385772842 /nfs/dbraw/zinc/77/28/42/385772842.db2.gz HVGNHJOVQGREKO-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO CCN(CC)c1ccc(NC[C@@H]2C[C@H]2C)c[nH+]1 ZINC000488426943 385778257 /nfs/dbraw/zinc/77/82/57/385778257.db2.gz IWQQLPQYUCEJIU-NEPJUHHUSA-N 1 2 233.359 2.996 20 0 BFADLO CCN(CC)c1ccc(NC[C@H]2C[C@H]2C)c[nH+]1 ZINC000488426946 385779108 /nfs/dbraw/zinc/77/91/08/385779108.db2.gz IWQQLPQYUCEJIU-VXGBXAGGSA-N 1 2 233.359 2.996 20 0 BFADLO Cc1cc[nH+]c(NCC[C@@H](O)C(C)C)c1Cl ZINC000309668713 385783848 /nfs/dbraw/zinc/78/38/48/385783848.db2.gz IVIWYYGHKKEDHZ-SNVBAGLBSA-N 1 2 242.750 2.862 20 0 BFADLO CCC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270589693 385721420 /nfs/dbraw/zinc/72/14/20/385721420.db2.gz SGFSPLFNQQRMHO-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000270608270 385722798 /nfs/dbraw/zinc/72/27/98/385722798.db2.gz XLIOEDUGPSWRPS-JTQLQIEISA-N 1 2 247.367 2.895 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cccc(F)c1F ZINC000231632883 385809020 /nfs/dbraw/zinc/80/90/20/385809020.db2.gz FNSQVXQYOVYJGJ-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO COC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000231664883 385811160 /nfs/dbraw/zinc/81/11/60/385811160.db2.gz YWKMGVFWFWUWGL-JSGCOSHPSA-N 1 2 249.354 2.577 20 0 BFADLO CSC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000123160569 385857173 /nfs/dbraw/zinc/85/71/73/385857173.db2.gz CVTWBKMJVNWOLS-SECBINFHSA-N 1 2 225.361 2.763 20 0 BFADLO CSC[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000123160407 385857211 /nfs/dbraw/zinc/85/72/11/385857211.db2.gz CVTWBKMJVNWOLS-VIFPVBQESA-N 1 2 225.361 2.763 20 0 BFADLO CSCc1cnc(C[NH+]2CCCCC2)s1 ZINC000294258887 385829493 /nfs/dbraw/zinc/82/94/93/385829493.db2.gz NUJJIZMADKFVBM-UHFFFAOYSA-N 1 2 242.413 2.992 20 0 BFADLO CCCC[C@@](C)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645343363 385841014 /nfs/dbraw/zinc/84/10/14/385841014.db2.gz BLYKWERWYZUVGH-AWEZNQCLSA-N 1 2 249.358 2.707 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000271647068 385844511 /nfs/dbraw/zinc/84/45/11/385844511.db2.gz AHZDWDYRQRRVFA-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO OCc1cc[nH+]c(N2CCC3(C2)CCCCC3)c1 ZINC000311004513 385858694 /nfs/dbraw/zinc/85/86/94/385858694.db2.gz PIIMBVHQQFFYAY-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO CCCc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000644837988 385849617 /nfs/dbraw/zinc/84/96/17/385849617.db2.gz LTIOUSLVSDYGBI-LSDHHAIUSA-N 1 2 231.339 2.612 20 0 BFADLO CCCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000644837988 385849620 /nfs/dbraw/zinc/84/96/20/385849620.db2.gz LTIOUSLVSDYGBI-LSDHHAIUSA-N 1 2 231.339 2.612 20 0 BFADLO CC[C@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284147886 385853307 /nfs/dbraw/zinc/85/33/07/385853307.db2.gz WHJYYOKCSSSJOM-KZQRZKTQSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@@H](C[N@H+](C)Cc1csnn1)c1ccccc1 ZINC000271154177 385794622 /nfs/dbraw/zinc/79/46/22/385794622.db2.gz MFOZOXQGPOHLGS-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO C[C@@H](C[N@@H+](C)Cc1csnn1)c1ccccc1 ZINC000271154177 385794627 /nfs/dbraw/zinc/79/46/27/385794627.db2.gz MFOZOXQGPOHLGS-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000294695011 385884105 /nfs/dbraw/zinc/88/41/05/385884105.db2.gz XRMMPHQBTNEVCO-QWRGUYRKSA-N 1 2 248.326 2.855 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000294695013 385884178 /nfs/dbraw/zinc/88/41/78/385884178.db2.gz XRMMPHQBTNEVCO-WDEREUQCSA-N 1 2 248.326 2.855 20 0 BFADLO CC/C(C)=C/C(=O)Nc1cc[nH+]cc1C ZINC000294776157 385893111 /nfs/dbraw/zinc/89/31/11/385893111.db2.gz ZMJTZTNSZPVXKN-VQHVLOKHSA-N 1 2 204.273 2.685 20 0 BFADLO CC(C)[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294767693 385894152 /nfs/dbraw/zinc/89/41/52/385894152.db2.gz AQUATZOIKULSDT-LLVKDONJSA-N 1 2 245.326 2.955 20 0 BFADLO c1coc(CNc2ccc(N3CCCC3)c[nH+]2)c1 ZINC000338158679 385908514 /nfs/dbraw/zinc/90/85/14/385908514.db2.gz YAMUPYPXUOCCHS-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO Cc1ccc2[nH+]c(CN3CCC=C(F)C3)cn2c1 ZINC000272519471 385909508 /nfs/dbraw/zinc/90/95/08/385909508.db2.gz PTFBLYHVLUWMAS-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO Cc1nnc(NCCCc2[nH+]cccc2C)s1 ZINC000294881001 385909723 /nfs/dbraw/zinc/90/97/23/385909723.db2.gz BZNCAZPOTYCODH-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO CCCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000294897123 385911573 /nfs/dbraw/zinc/91/15/73/385911573.db2.gz MEZPSORINPIAER-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO CCCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294897123 385911580 /nfs/dbraw/zinc/91/15/80/385911580.db2.gz MEZPSORINPIAER-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO Cn1cc[nH+]c1[C@H]1N(Cc2ccco2)CC1(C)C ZINC000294893257 385911790 /nfs/dbraw/zinc/91/17/90/385911790.db2.gz WOCRMKUVFVVCGP-GFCCVEGCSA-N 1 2 245.326 2.596 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294909170 385913437 /nfs/dbraw/zinc/91/34/37/385913437.db2.gz IDUKJSMTKHGGLC-ZYHUDNBSSA-N 1 2 249.358 2.827 20 0 BFADLO Cl/C=C/C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285368571 385917979 /nfs/dbraw/zinc/91/79/79/385917979.db2.gz MIDFGCRZOVZZJH-ZXCPCRMDSA-N 1 2 225.723 2.689 20 0 BFADLO Cl/C=C/C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285368571 385917981 /nfs/dbraw/zinc/91/79/81/385917981.db2.gz MIDFGCRZOVZZJH-ZXCPCRMDSA-N 1 2 225.723 2.689 20 0 BFADLO C[C@H]([NH2+]c1ccc(OCCCO)cc1)C1CC1 ZINC000285367698 385918043 /nfs/dbraw/zinc/91/80/43/385918043.db2.gz BTHVPPRJWDLSOT-NSHDSACASA-N 1 2 235.327 2.658 20 0 BFADLO C[C@@H]([NH2+]c1ccc(OCCCO)cc1)C1CC1 ZINC000285367695 385918177 /nfs/dbraw/zinc/91/81/77/385918177.db2.gz BTHVPPRJWDLSOT-LLVKDONJSA-N 1 2 235.327 2.658 20 0 BFADLO Cn1c[nH+]cc1CN1CCc2cc(Cl)ccc21 ZINC000285412793 385925765 /nfs/dbraw/zinc/92/57/65/385925765.db2.gz JEAAABIWARNDGF-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO CCCc1nc(C[N@H+](CC)CCC2CC2)no1 ZINC000355049424 385878308 /nfs/dbraw/zinc/87/83/08/385878308.db2.gz DHTBKBBIOQQTDT-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@@H+](CC)CCC2CC2)no1 ZINC000355049424 385878316 /nfs/dbraw/zinc/87/83/16/385878316.db2.gz DHTBKBBIOQQTDT-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000295204875 385991755 /nfs/dbraw/zinc/99/17/55/385991755.db2.gz VWGJLMVGIZEZMM-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000295204875 385991759 /nfs/dbraw/zinc/99/17/59/385991759.db2.gz VWGJLMVGIZEZMM-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1c(F)cncc1F ZINC000285606958 385946415 /nfs/dbraw/zinc/94/64/15/385946415.db2.gz XARXFPYDLJALQK-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@H](CF)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000342199976 385956299 /nfs/dbraw/zinc/95/62/99/385956299.db2.gz JVSAMKRUTCQTGI-SNVBAGLBSA-N 1 2 234.274 2.789 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccn(C)n1 ZINC000335058197 385958146 /nfs/dbraw/zinc/95/81/46/385958146.db2.gz ZDHBIHUEURPNTJ-JTQLQIEISA-N 1 2 242.326 2.561 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccncc2F)o1 ZINC000338340898 385971392 /nfs/dbraw/zinc/97/13/92/385971392.db2.gz CIOCNTWWJFMAMV-ZJUUUORDSA-N 1 2 249.289 2.929 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@]12CCC[C@@H](CC)C2 ZINC000414178003 386019627 /nfs/dbraw/zinc/01/96/27/386019627.db2.gz JPHLLKHKUHRAQW-TZMCWYRMSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@]12CCC[C@@H](CC)C2 ZINC000414178003 386019634 /nfs/dbraw/zinc/01/96/34/386019634.db2.gz JPHLLKHKUHRAQW-TZMCWYRMSA-N 1 2 238.375 2.515 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2cnc(C)o2)o1 ZINC000414182536 386023611 /nfs/dbraw/zinc/02/36/11/386023611.db2.gz MSRBWJCJMVXQMJ-VIFPVBQESA-N 1 2 234.299 2.989 20 0 BFADLO CC(C)(C)CN1C(=O)C(C)(C)[NH2+]C12CCCC2 ZINC000414179159 386023684 /nfs/dbraw/zinc/02/36/84/386023684.db2.gz IGIHHNDPRWQBLM-UHFFFAOYSA-N 1 2 238.375 2.513 20 0 BFADLO CO[C@@H](C)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000286351025 386028614 /nfs/dbraw/zinc/02/86/14/386028614.db2.gz KIHGLPXZLNCLRB-QMMMGPOBSA-N 1 2 248.248 2.572 20 0 BFADLO c1[nH+]c(SCCOC2CCC2)n2ccccc12 ZINC000286430758 386038978 /nfs/dbraw/zinc/03/89/78/386038978.db2.gz DOBCKEJLZOLLNQ-UHFFFAOYSA-N 1 2 248.351 2.996 20 0 BFADLO Cc1ccc2c(c1)CC[N@@H+](Cc1ccon1)C2 ZINC000334428837 386039357 /nfs/dbraw/zinc/03/93/57/386039357.db2.gz SWGYDFOGBPPCLK-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)CC[N@H+](Cc1ccon1)C2 ZINC000334428837 386039362 /nfs/dbraw/zinc/03/93/62/386039362.db2.gz SWGYDFOGBPPCLK-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000295594665 386057344 /nfs/dbraw/zinc/05/73/44/386057344.db2.gz CIOTVVFQXXPORL-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000295594665 386057349 /nfs/dbraw/zinc/05/73/49/386057349.db2.gz CIOTVVFQXXPORL-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C)n2)no1 ZINC000414159484 386046524 /nfs/dbraw/zinc/04/65/24/386046524.db2.gz BKZNZKDAFVQTTK-GFCCVEGCSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(Cc2noc([C@H](C)C3CC3)n2)c[nH+]1 ZINC000273913643 386051167 /nfs/dbraw/zinc/05/11/67/386051167.db2.gz KJOULYCKMWHODW-SNVBAGLBSA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425426946 386051222 /nfs/dbraw/zinc/05/12/22/386051222.db2.gz TUKBHMJYWPQJNA-LLVKDONJSA-N 1 2 245.273 2.629 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425426946 386051227 /nfs/dbraw/zinc/05/12/27/386051227.db2.gz TUKBHMJYWPQJNA-LLVKDONJSA-N 1 2 245.273 2.629 20 0 BFADLO Cc1csc([C@H]([NH2+]Cc2ccno2)C2CC2)n1 ZINC000273399812 385995977 /nfs/dbraw/zinc/99/59/77/385995977.db2.gz OTGYYEUHZBKSRG-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO CCn1ccc(C[NH2+][C@H](C)c2ccccc2F)n1 ZINC000414212793 386067814 /nfs/dbraw/zinc/06/78/14/386067814.db2.gz SRLJKTAZFVCYFS-LLVKDONJSA-N 1 2 247.317 2.893 20 0 BFADLO FC(F)(F)CCCC[N@@H+]1CCOCC12CC2 ZINC000338599244 386070336 /nfs/dbraw/zinc/07/03/36/386070336.db2.gz VCBOSUKAYQYILC-UHFFFAOYSA-N 1 2 237.265 2.584 20 0 BFADLO FC(F)(F)CCCC[N@H+]1CCOCC12CC2 ZINC000338599244 386070342 /nfs/dbraw/zinc/07/03/42/386070342.db2.gz VCBOSUKAYQYILC-UHFFFAOYSA-N 1 2 237.265 2.584 20 0 BFADLO Cc1cnc(CNc2ccc(N(C)C)c[nH+]2)s1 ZINC000295833992 386092499 /nfs/dbraw/zinc/09/24/99/386092499.db2.gz VLVKFPDNQMPEEG-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H](CNc1cccc[nH+]1)CC(F)F ZINC000645303734 386145462 /nfs/dbraw/zinc/14/54/62/386145462.db2.gz KEKBJQIQGPJVRD-MRVPVSSYSA-N 1 2 200.232 2.785 20 0 BFADLO CC[C@@H](F)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000335155332 386149638 /nfs/dbraw/zinc/14/96/38/386149638.db2.gz KQLLQQQARTZKQP-SNVBAGLBSA-N 1 2 211.255 2.889 20 0 BFADLO CC[C@@H](F)C[N@H+]1Cc2cccc(F)c2C1 ZINC000335155332 386149648 /nfs/dbraw/zinc/14/96/48/386149648.db2.gz KQLLQQQARTZKQP-SNVBAGLBSA-N 1 2 211.255 2.889 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)o1 ZINC000263748008 386171721 /nfs/dbraw/zinc/17/17/21/386171721.db2.gz BSYGVKBZEXPDSM-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cccs2)o1 ZINC000263748008 386171726 /nfs/dbraw/zinc/17/17/26/386171726.db2.gz BSYGVKBZEXPDSM-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO CC[C@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000336730132 386173677 /nfs/dbraw/zinc/17/36/77/386173677.db2.gz JRVXNWDVXOSIKS-WDEREUQCSA-N 1 2 205.305 2.776 20 0 BFADLO c1ccc(NCc2noc3c2CCCC3)[nH+]c1 ZINC000288323085 386185115 /nfs/dbraw/zinc/18/51/15/386185115.db2.gz UYPPJXUKCDCBLC-UHFFFAOYSA-N 1 2 229.283 2.561 20 0 BFADLO C[C@@H](O)CCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000340257313 386131870 /nfs/dbraw/zinc/13/18/70/386131870.db2.gz LENJALKEADIAHT-SNVBAGLBSA-N 1 2 248.301 2.581 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000296142364 386142131 /nfs/dbraw/zinc/14/21/31/386142131.db2.gz VHXOGABGTXAJRK-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000288471046 386203810 /nfs/dbraw/zinc/20/38/10/386203810.db2.gz OVXBJEIHLNMRNA-JTQLQIEISA-N 1 2 233.290 2.524 20 0 BFADLO CC(C)[N@H+](CCOC1CCC1)CC(F)F ZINC000347064944 386212991 /nfs/dbraw/zinc/21/29/91/386212991.db2.gz ZVRZUOYCPXJHIT-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[N@@H+](CCOC1CCC1)CC(F)F ZINC000347064944 386212998 /nfs/dbraw/zinc/21/29/98/386212998.db2.gz ZVRZUOYCPXJHIT-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC[N@H+](CCCO)c1ccc(C)cc1C ZINC000264205421 386214295 /nfs/dbraw/zinc/21/42/95/386214295.db2.gz KPRNRRQRBIHWBK-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CC[N@@H+](CCCO)c1ccc(C)cc1C ZINC000264205421 386214298 /nfs/dbraw/zinc/21/42/98/386214298.db2.gz KPRNRRQRBIHWBK-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO Cc1ncc(CNc2c[nH+]cc(C)c2)s1 ZINC000125091527 386221452 /nfs/dbraw/zinc/22/14/52/386221452.db2.gz ZPRSACRZPVZHKZ-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC[C@@H](C)Cc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000288826618 386235437 /nfs/dbraw/zinc/23/54/37/386235437.db2.gz BESJHILCTYDQFF-SNVBAGLBSA-N 1 2 245.326 2.952 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCc3occc3C2)nc1 ZINC000288906970 386241519 /nfs/dbraw/zinc/24/15/19/386241519.db2.gz TUVVUWNGSMCOKB-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1ccc(C[N@H+]2CCCc3occc3C2)nc1 ZINC000288906970 386241522 /nfs/dbraw/zinc/24/15/22/386241522.db2.gz TUVVUWNGSMCOKB-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO CCCCCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263945177 386195031 /nfs/dbraw/zinc/19/50/31/386195031.db2.gz LAMLPRFGNNIMMO-LBPRGKRZSA-N 1 2 249.358 2.696 20 0 BFADLO CCC(=O)N1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000425521500 386324455 /nfs/dbraw/zinc/32/44/55/386324455.db2.gz SSZFPTFDNDFAOL-CYBMUJFWSA-N 1 2 246.354 2.568 20 0 BFADLO CCC(=O)N1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000425521500 386324462 /nfs/dbraw/zinc/32/44/62/386324462.db2.gz SSZFPTFDNDFAOL-CYBMUJFWSA-N 1 2 246.354 2.568 20 0 BFADLO Cc1cn[nH]c1C[NH2+]C1(c2ccccc2F)CC1 ZINC000289410150 386298999 /nfs/dbraw/zinc/29/89/99/386298999.db2.gz BISXYZKACLMCKE-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO Cc1c[nH]nc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000289410150 386299003 /nfs/dbraw/zinc/29/90/03/386299003.db2.gz BISXYZKACLMCKE-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1ncc(C2CC2)o1 ZINC000335265353 386300177 /nfs/dbraw/zinc/30/01/77/386300177.db2.gz WOFHPOOZWDGKDI-IUCAKERBSA-N 1 2 206.289 2.535 20 0 BFADLO C[C@@]12CC[N@H+](Cc3cscn3)C[C@@H]1C2(F)F ZINC000298183542 386305925 /nfs/dbraw/zinc/30/59/25/386305925.db2.gz AHAYBJCQTDTSKE-VHSXEESVSA-N 1 2 244.310 2.620 20 0 BFADLO C[C@@]12CC[N@@H+](Cc3cscn3)C[C@@H]1C2(F)F ZINC000298183542 386305929 /nfs/dbraw/zinc/30/59/29/386305929.db2.gz AHAYBJCQTDTSKE-VHSXEESVSA-N 1 2 244.310 2.620 20 0 BFADLO Cc1nc(C[N@@H+](C)CCOCC(C)C)cs1 ZINC000336670817 386315178 /nfs/dbraw/zinc/31/51/78/386315178.db2.gz XBNOULUFLOFVSM-UHFFFAOYSA-N 1 2 242.388 2.556 20 0 BFADLO Cc1nc(C[N@H+](C)CCOCC(C)C)cs1 ZINC000336670817 386315180 /nfs/dbraw/zinc/31/51/80/386315180.db2.gz XBNOULUFLOFVSM-UHFFFAOYSA-N 1 2 242.388 2.556 20 0 BFADLO Cc1cnn(C)c1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000289115743 386262610 /nfs/dbraw/zinc/26/26/10/386262610.db2.gz NFZYWFBHBQESHS-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cnn(C)c1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000289115743 386262611 /nfs/dbraw/zinc/26/26/11/386262611.db2.gz NFZYWFBHBQESHS-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccccc1 ZINC000264696367 386264755 /nfs/dbraw/zinc/26/47/55/386264755.db2.gz AYWBDJCZOXBKLA-LBPRGKRZSA-N 1 2 243.310 2.599 20 0 BFADLO CC(C)[C@@H](NC(=O)c1ccsc1)c1[nH]cc[nH+]1 ZINC000276570227 386345631 /nfs/dbraw/zinc/34/56/31/386345631.db2.gz IIFUPGXHXCZDIK-SNVBAGLBSA-N 1 2 249.339 2.598 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1ccncc1 ZINC000436469494 386351019 /nfs/dbraw/zinc/35/10/19/386351019.db2.gz CGFHYFGYLPXOJA-ONGXEEELSA-N 1 2 248.355 2.735 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)COC(C)C)c1 ZINC000336774693 386357863 /nfs/dbraw/zinc/35/78/63/386357863.db2.gz ZNXQZWQKSPRMQH-LLVKDONJSA-N 1 2 208.305 2.615 20 0 BFADLO CCCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265710657 386362334 /nfs/dbraw/zinc/36/23/34/386362334.db2.gz LKQCDIRHBOTBGT-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO CC(C)[C@@H](NC(=O)C1CCCCC1)c1[nH]cc[nH+]1 ZINC000276712927 386367382 /nfs/dbraw/zinc/36/73/82/386367382.db2.gz ZQZTXRSUJYKXTB-GFCCVEGCSA-N 1 2 249.358 2.803 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)cc1F ZINC000347372780 386370647 /nfs/dbraw/zinc/37/06/47/386370647.db2.gz KGZSNMANKWBURX-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@](C)(F)C2)cc1F ZINC000347372780 386370653 /nfs/dbraw/zinc/37/06/53/386370653.db2.gz KGZSNMANKWBURX-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@H](CC(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000236938851 386328446 /nfs/dbraw/zinc/32/84/46/386328446.db2.gz KCBKJQGQOXYZTF-SNVBAGLBSA-N 1 2 235.331 2.675 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cn[nH]c1 ZINC000289596408 386331891 /nfs/dbraw/zinc/33/18/91/386331891.db2.gz SPDVIQVYYNTRDS-VIFPVBQESA-N 1 2 248.330 2.546 20 0 BFADLO CC[C@](C)([NH2+]CCCc1ccccc1)C(=O)OC ZINC000265405656 386336295 /nfs/dbraw/zinc/33/62/95/386336295.db2.gz BSJMXZPZLIUDDW-HNNXBMFYSA-N 1 2 249.354 2.551 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336754367 386437850 /nfs/dbraw/zinc/43/78/50/386437850.db2.gz WZQGRCDXCRTRAF-SECBINFHSA-N 1 2 226.270 2.838 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NCc2ccon2)c1 ZINC000094267109 386447078 /nfs/dbraw/zinc/44/70/78/386447078.db2.gz IPNXVYHPZQKIQI-UHFFFAOYSA-N 1 2 243.188 2.701 20 0 BFADLO COc1cc(C)c([NH2+]CCCCCO)cc1C ZINC000277593404 386449453 /nfs/dbraw/zinc/44/94/53/386449453.db2.gz LUDGFAXJLPCTPW-UHFFFAOYSA-N 1 2 237.343 2.887 20 0 BFADLO CCO[C@H]1C[C@H](Nc2cccc[nH+]2)C12CCC2 ZINC000266006997 386388825 /nfs/dbraw/zinc/38/88/25/386388825.db2.gz MGWWPQQPPLDJGT-RYUDHWBXSA-N 1 2 232.327 2.841 20 0 BFADLO Cn1c[nH+]cc1COc1cc(Cl)ccc1F ZINC000334496194 386390590 /nfs/dbraw/zinc/39/05/90/386390590.db2.gz IBMXHWSRUYREFH-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO C[C@H](CO)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226802619 386394815 /nfs/dbraw/zinc/39/48/15/386394815.db2.gz CVIXOSMXNGHUBG-SFYZADRCSA-N 1 2 248.248 2.529 20 0 BFADLO C[N@H+](Cc1cnns1)[C@@H]1CCc2ccccc21 ZINC000290142539 386399388 /nfs/dbraw/zinc/39/93/88/386399388.db2.gz VYMKLBYNPIVPBD-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1cnns1)[C@@H]1CCc2ccccc21 ZINC000290142539 386399397 /nfs/dbraw/zinc/39/93/97/386399397.db2.gz VYMKLBYNPIVPBD-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1F)c1ccon1 ZINC000336776381 386401093 /nfs/dbraw/zinc/40/10/93/386401093.db2.gz FQZOYQFGVIKKKO-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO CC(C)(C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000266137887 386403076 /nfs/dbraw/zinc/40/30/76/386403076.db2.gz GCBRGULRWMADMO-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CC[C@H]1OCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000277111648 386407574 /nfs/dbraw/zinc/40/75/74/386407574.db2.gz XPIMUBCAJGJHQV-DGCLKSJQSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1ccc(NCc2cnc([C@@H](C)O)s2)c[nH+]1 ZINC000290407639 386428626 /nfs/dbraw/zinc/42/86/26/386428626.db2.gz PXZNIPLOSHOUJW-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO CCCCc1nc(C[N@H+](C)CC(C)(C)C)no1 ZINC000336713311 386428961 /nfs/dbraw/zinc/42/89/61/386428961.db2.gz PFTJSABRFSGQBW-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CC(C)(C)C)no1 ZINC000336713311 386428964 /nfs/dbraw/zinc/42/89/64/386428964.db2.gz PFTJSABRFSGQBW-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2cccc(C)c2C)n1 ZINC000299245737 386429433 /nfs/dbraw/zinc/42/94/33/386429433.db2.gz MWKIORIORVLYEH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2cccc(C)c2C)n1 ZINC000299245737 386429438 /nfs/dbraw/zinc/42/94/38/386429438.db2.gz MWKIORIORVLYEH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccc2)nc1 ZINC000336717361 386435168 /nfs/dbraw/zinc/43/51/68/386435168.db2.gz SUYXTLCRDLCZAC-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccc2)nc1 ZINC000336717361 386435169 /nfs/dbraw/zinc/43/51/69/386435169.db2.gz SUYXTLCRDLCZAC-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccc(N(C)Cc2[nH+]ccn2C)c(C)c1 ZINC000299565006 386468880 /nfs/dbraw/zinc/46/88/80/386468880.db2.gz GIIPEDHWCCRYCB-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO CC[C@H](CNc1nc(C)[nH+]c2c1CCCC2)OC ZINC000290759191 386472975 /nfs/dbraw/zinc/47/29/75/386472975.db2.gz UDUUAJYYULNFSB-LLVKDONJSA-N 1 2 249.358 2.501 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccnc(C)c2)cs1 ZINC000391196590 386479926 /nfs/dbraw/zinc/47/99/26/386479926.db2.gz LZJUAOHTEMCAJT-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO C[C@@H]1CC(c2noc(C[NH+](C)C)n2)C[C@@H](C)C1 ZINC000335431715 386489072 /nfs/dbraw/zinc/48/90/72/386489072.db2.gz RZHTXOHATOCNAV-UWVGGRQHSA-N 1 2 237.347 2.671 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCCSC2)c1 ZINC000134823125 386460527 /nfs/dbraw/zinc/46/05/27/386460527.db2.gz ZGWQIJJFVLUOTA-SNVBAGLBSA-N 1 2 208.330 2.698 20 0 BFADLO CO[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000266687621 386462436 /nfs/dbraw/zinc/46/24/36/386462436.db2.gz CMYGGUZUSMWTKD-LBPRGKRZSA-N 1 2 249.358 2.745 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@H](CC)C(=O)OC)cc1 ZINC000097992695 386574214 /nfs/dbraw/zinc/57/42/14/386574214.db2.gz YKSZDCQUFCUYBT-BXUZGUMPSA-N 1 2 249.354 2.851 20 0 BFADLO FC(F)(F)c1cnc(C[NH+]2CCCC2)s1 ZINC000278774149 386582195 /nfs/dbraw/zinc/58/21/95/386582195.db2.gz YLUWDQKPSJFMOQ-UHFFFAOYSA-N 1 2 236.262 2.758 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000278779754 386584998 /nfs/dbraw/zinc/58/49/98/386584998.db2.gz VLECTBPFACTUAL-DMDPSCGWSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@H]2C)o1 ZINC000278779754 386585000 /nfs/dbraw/zinc/58/50/00/386585000.db2.gz VLECTBPFACTUAL-DMDPSCGWSA-N 1 2 235.327 2.624 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(F)cc2)nc1 ZINC000340663589 386542495 /nfs/dbraw/zinc/54/24/95/386542495.db2.gz UZIAXVOAGROIBT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(F)cc2)nc1 ZINC000340663589 386542501 /nfs/dbraw/zinc/54/25/01/386542501.db2.gz UZIAXVOAGROIBT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000336926865 386553356 /nfs/dbraw/zinc/55/33/56/386553356.db2.gz MHKIQMAYDCFBAP-BXKDBHETSA-N 1 2 231.343 2.685 20 0 BFADLO Cc1ccc(N(C)Cc2c[nH+]cn2C)cc1C ZINC000267587872 386557482 /nfs/dbraw/zinc/55/74/82/386557482.db2.gz IBOMTBJRLPZKDN-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1ncc[nH]1 ZINC000291646692 386563954 /nfs/dbraw/zinc/56/39/54/386563954.db2.gz CEKUIOZYGWLUKI-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO Fc1ccc2cc(C[N@H+]3CC[C@H](F)C3)[nH]c2c1 ZINC000335408206 386569333 /nfs/dbraw/zinc/56/93/33/386569333.db2.gz YBBWGQFFAJKPSW-NSHDSACASA-N 1 2 236.265 2.851 20 0 BFADLO Fc1ccc2cc(C[N@@H+]3CC[C@H](F)C3)[nH]c2c1 ZINC000335408206 386569340 /nfs/dbraw/zinc/56/93/40/386569340.db2.gz YBBWGQFFAJKPSW-NSHDSACASA-N 1 2 236.265 2.851 20 0 BFADLO CO[C@H](CNc1cc[nH+]c2ccncc12)C(C)C ZINC000267910483 386597902 /nfs/dbraw/zinc/59/79/02/386597902.db2.gz AJYCTSTWKNSHBH-CQSZACIVSA-N 1 2 245.326 2.713 20 0 BFADLO Cn1ccnc1C[NH2+]C(C)(C)c1ccccc1F ZINC000291718296 386573967 /nfs/dbraw/zinc/57/39/67/386573967.db2.gz MFPRXNCRYMDLJW-UHFFFAOYSA-N 1 2 247.317 2.584 20 0 BFADLO CO[C@@](C)(CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000292304012 386647182 /nfs/dbraw/zinc/64/71/82/386647182.db2.gz LHZNMVRTJHVGHO-AWEZNQCLSA-N 1 2 247.342 2.581 20 0 BFADLO Cc1nonc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000267948808 386601693 /nfs/dbraw/zinc/60/16/93/386601693.db2.gz SNPYQZVKUUVACA-JTQLQIEISA-N 1 2 247.298 2.697 20 0 BFADLO Cc1nonc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000267948808 386601699 /nfs/dbraw/zinc/60/16/99/386601699.db2.gz SNPYQZVKUUVACA-JTQLQIEISA-N 1 2 247.298 2.697 20 0 BFADLO CC[N@H+](CC[C@H]1CCOC1=O)c1cccc(C)c1 ZINC000267969739 386604518 /nfs/dbraw/zinc/60/45/18/386604518.db2.gz NALRBINYNSSMAI-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@H]1CCOC1=O)c1cccc(C)c1 ZINC000267969739 386604525 /nfs/dbraw/zinc/60/45/25/386604525.db2.gz NALRBINYNSSMAI-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353184372 386610725 /nfs/dbraw/zinc/61/07/25/386610725.db2.gz AUPVWROWIWNYSY-LLVKDONJSA-N 1 2 211.255 2.916 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353184372 386610729 /nfs/dbraw/zinc/61/07/29/386610729.db2.gz AUPVWROWIWNYSY-LLVKDONJSA-N 1 2 211.255 2.916 20 0 BFADLO Cc1ccc(C)c([N@H+](C)CC[C@@H]2CCOC2=O)c1 ZINC000268033290 386610973 /nfs/dbraw/zinc/61/09/73/386610973.db2.gz ZJJNFNNWDYJKHT-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)CC[C@@H]2CCOC2=O)c1 ZINC000268033290 386610979 /nfs/dbraw/zinc/61/09/79/386610979.db2.gz ZJJNFNNWDYJKHT-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(NC(=O)NC2CC(C)C2)c(C)[nH+]1 ZINC000268047239 386613583 /nfs/dbraw/zinc/61/35/83/386613583.db2.gz YANZPUFNOPEEQO-UHFFFAOYSA-N 1 2 233.315 2.618 20 0 BFADLO CCC[C@@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000520242102 386617796 /nfs/dbraw/zinc/61/77/96/386617796.db2.gz ZMBTXZGNPXJNIF-SECBINFHSA-N 1 2 237.347 2.506 20 0 BFADLO CN(CCC1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000120303132 386663268 /nfs/dbraw/zinc/66/32/68/386663268.db2.gz CNWSXLHTRXEHIE-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000366517177 386671946 /nfs/dbraw/zinc/67/19/46/386671946.db2.gz GTPITUKLGINHEZ-HIFRSBDPSA-N 1 2 243.306 2.714 20 0 BFADLO Cc1oc2ccccc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000366517177 386671952 /nfs/dbraw/zinc/67/19/52/386671952.db2.gz GTPITUKLGINHEZ-HIFRSBDPSA-N 1 2 243.306 2.714 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CSC[C@H]2C)c1 ZINC000294915707 386692277 /nfs/dbraw/zinc/69/22/77/386692277.db2.gz ALFFEDNKMAQZGG-MWLCHTKSSA-N 1 2 208.330 2.553 20 0 BFADLO COCc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000337281893 386697355 /nfs/dbraw/zinc/69/73/55/386697355.db2.gz IAXCHIGBYHCYEG-UHFFFAOYSA-N 1 2 241.281 2.720 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)co1 ZINC000647956845 386699174 /nfs/dbraw/zinc/69/91/74/386699174.db2.gz KVNZLTHBZXNFDB-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2)co1 ZINC000647956845 386699182 /nfs/dbraw/zinc/69/91/82/386699182.db2.gz KVNZLTHBZXNFDB-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CC(C)[C@@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292846128 386736604 /nfs/dbraw/zinc/73/66/04/386736604.db2.gz VFOOWEGBGNBFBW-NWDGAFQWSA-N 1 2 243.297 2.599 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000292949758 386753851 /nfs/dbraw/zinc/75/38/51/386753851.db2.gz IOYQRQWWZAZZLY-OPRDCNLKSA-N 1 2 240.372 2.691 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000292949758 386753858 /nfs/dbraw/zinc/75/38/58/386753858.db2.gz IOYQRQWWZAZZLY-OPRDCNLKSA-N 1 2 240.372 2.691 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000292972905 386759048 /nfs/dbraw/zinc/75/90/48/386759048.db2.gz GQCPTGHIULXRSO-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000292972905 386759053 /nfs/dbraw/zinc/75/90/53/386759053.db2.gz GQCPTGHIULXRSO-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO FCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292994921 386761661 /nfs/dbraw/zinc/76/16/61/386761661.db2.gz CIZKWNSMOGDOQO-UHFFFAOYSA-N 1 2 245.301 2.548 20 0 BFADLO FCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292994921 386761664 /nfs/dbraw/zinc/76/16/64/386761664.db2.gz CIZKWNSMOGDOQO-UHFFFAOYSA-N 1 2 245.301 2.548 20 0 BFADLO CC1(C)C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000417985614 386789712 /nfs/dbraw/zinc/78/97/12/386789712.db2.gz PTBQYQZVHSKWKK-CYBMUJFWSA-N 1 2 246.354 2.940 20 0 BFADLO CC1(C(=O)CSc2[nH+]cc3ccccn32)CC1 ZINC000280065340 386774915 /nfs/dbraw/zinc/77/49/15/386774915.db2.gz ZHSLQEIAKSDLQV-UHFFFAOYSA-N 1 2 246.335 2.796 20 0 BFADLO CNc1ccc(Nc2cc(Cl)nc(C)n2)c[nH+]1 ZINC000301162899 386822703 /nfs/dbraw/zinc/82/27/03/386822703.db2.gz SSTGRBHJGOTYCX-UHFFFAOYSA-N 1 2 249.705 2.619 20 0 BFADLO Cc1nocc1CNc1ccc([NH+](C)C)cc1 ZINC000293265572 386797867 /nfs/dbraw/zinc/79/78/67/386797867.db2.gz NAIZXQAMUZNDSO-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@H](c1ccccc1F)N1CCn2c[nH+]cc2C1 ZINC000647939102 386805059 /nfs/dbraw/zinc/80/50/59/386805059.db2.gz AZOKXZUWQYJCPB-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO CCc1ccccc1C[NH2+][C@@H](C)c1csnn1 ZINC000398450246 386826066 /nfs/dbraw/zinc/82/60/66/386826066.db2.gz DPZXAYBYEOUPTP-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO Cc1ccnc(Nc2ccc([NH+](C)C)cc2C)n1 ZINC000301266160 386827681 /nfs/dbraw/zinc/82/76/81/386827681.db2.gz HSWHFLJNGMSOQV-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO O=C(CCNc1cccc[nH+]1)Nc1ccccc1 ZINC000301241286 386828899 /nfs/dbraw/zinc/82/88/99/386828899.db2.gz GFFOKPUTSXVFCD-UHFFFAOYSA-N 1 2 241.294 2.522 20 0 BFADLO c1nc(N2CCCCCC2)cc(NCC2CC2)[nH+]1 ZINC000301263688 386829496 /nfs/dbraw/zinc/82/94/96/386829496.db2.gz DTLPQNIVNTZHNS-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCC2CC2)cc(N2CCCCCC2)[nH+]1 ZINC000301263688 386829503 /nfs/dbraw/zinc/82/95/03/386829503.db2.gz DTLPQNIVNTZHNS-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1cc(N(C)Cc2cccc(F)c2)nc[nH+]1 ZINC000301287538 386831635 /nfs/dbraw/zinc/83/16/35/386831635.db2.gz ZRCKKFSXPIVEJA-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO CC[C@@H](C)C[NH2+][C@H](C(=O)OC)c1cccs1 ZINC000336673138 386832155 /nfs/dbraw/zinc/83/21/55/386832155.db2.gz AYFXISYWGXYUGL-KOLCDFICSA-N 1 2 241.356 2.598 20 0 BFADLO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000341068091 386833264 /nfs/dbraw/zinc/83/32/64/386833264.db2.gz BKNBKYSDQPRKOU-CYBMUJFWSA-N 1 2 241.338 2.944 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000293570829 386838563 /nfs/dbraw/zinc/83/85/63/386838563.db2.gz SRKZUWIJOXOFFE-GFCCVEGCSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000293570829 386838566 /nfs/dbraw/zinc/83/85/66/386838566.db2.gz SRKZUWIJOXOFFE-GFCCVEGCSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000293570839 386839117 /nfs/dbraw/zinc/83/91/17/386839117.db2.gz SRKZUWIJOXOFFE-LBPRGKRZSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000293570839 386839124 /nfs/dbraw/zinc/83/91/24/386839124.db2.gz SRKZUWIJOXOFFE-LBPRGKRZSA-N 1 2 248.370 2.734 20 0 BFADLO CCO[C@H]1C[C@@H](Nc2cc(C)[nH+]cn2)C12CCC2 ZINC000301422192 386842585 /nfs/dbraw/zinc/84/25/85/386842585.db2.gz NYKFBVAVKNROJI-NEPJUHHUSA-N 1 2 247.342 2.545 20 0 BFADLO COC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301404391 386843994 /nfs/dbraw/zinc/84/39/94/386843994.db2.gz FLCRWTCRSUMCDU-CYBMUJFWSA-N 1 2 243.310 2.585 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000301496387 386847878 /nfs/dbraw/zinc/84/78/78/386847878.db2.gz TYWSYLPRAMQLGF-ZJUUUORDSA-N 1 2 217.316 2.589 20 0 BFADLO CCc1ccccc1NCc1[nH+]cc(C)n1C ZINC000341153980 386848138 /nfs/dbraw/zinc/84/81/38/386848138.db2.gz SPKZOCRGFHZTEH-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1CCC12CCC2 ZINC000334788221 386851666 /nfs/dbraw/zinc/85/16/66/386851666.db2.gz ROBNIHNHRXWBOL-UHFFFAOYSA-N 1 2 235.356 2.544 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1CCC12CCC2 ZINC000334788221 386851674 /nfs/dbraw/zinc/85/16/74/386851674.db2.gz ROBNIHNHRXWBOL-UHFFFAOYSA-N 1 2 235.356 2.544 20 0 BFADLO Clc1cccnc1OCCNc1cccc[nH+]1 ZINC000301685154 386868355 /nfs/dbraw/zinc/86/83/55/386868355.db2.gz WPXNLHUKYOOMRN-UHFFFAOYSA-N 1 2 249.701 2.621 20 0 BFADLO C[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)[C@H]1C ZINC000301836196 386882614 /nfs/dbraw/zinc/88/26/14/386882614.db2.gz VCSMBFYJVSWIEC-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)[C@H]1C ZINC000301836196 386882622 /nfs/dbraw/zinc/88/26/22/386882622.db2.gz VCSMBFYJVSWIEC-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO Cc1nc(C[NH+]2CC(C)(C)CC(C)(C)C2)no1 ZINC000335759773 386887660 /nfs/dbraw/zinc/88/76/60/386887660.db2.gz ZQBBGGVDUQIVKF-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000334859982 386913870 /nfs/dbraw/zinc/91/38/70/386913870.db2.gz SFHDUKXOLZXKOC-CYBMUJFWSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000334859982 386913873 /nfs/dbraw/zinc/91/38/73/386913873.db2.gz SFHDUKXOLZXKOC-CYBMUJFWSA-N 1 2 249.285 2.603 20 0 BFADLO Cc1c[nH+]c(CNc2cc(F)cc(F)c2)n1C ZINC000341390191 386900072 /nfs/dbraw/zinc/90/00/72/386900072.db2.gz JXXDMQNMCDWFNQ-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000349654636 386905854 /nfs/dbraw/zinc/90/58/54/386905854.db2.gz MYEBHWWEGXKVRH-ZWNOBZJWSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000349654636 386905861 /nfs/dbraw/zinc/90/58/61/386905861.db2.gz MYEBHWWEGXKVRH-ZWNOBZJWSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000349654634 386906985 /nfs/dbraw/zinc/90/69/85/386906985.db2.gz MYEBHWWEGXKVRH-GXFFZTMASA-N 1 2 245.326 2.758 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000349654634 386906990 /nfs/dbraw/zinc/90/69/90/386906990.db2.gz MYEBHWWEGXKVRH-GXFFZTMASA-N 1 2 245.326 2.758 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CC[C@](C)(F)C2)cn1 ZINC000335765823 386907724 /nfs/dbraw/zinc/90/77/24/386907724.db2.gz ADQLWUJCPYGAIQ-ZDUSSCGKSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CC[C@](C)(F)C2)cn1 ZINC000335765823 386907728 /nfs/dbraw/zinc/90/77/28/386907728.db2.gz ADQLWUJCPYGAIQ-ZDUSSCGKSA-N 1 2 239.338 2.572 20 0 BFADLO Cc1cc(Nc2ccccc2)nc(C2CC2)[nH+]1 ZINC000341512341 386913356 /nfs/dbraw/zinc/91/33/56/386913356.db2.gz SEVATPRWACSZSN-UHFFFAOYSA-N 1 2 225.295 2.828 20 0 BFADLO C/C=C/C[C@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302242747 386920572 /nfs/dbraw/zinc/92/05/72/386920572.db2.gz JGMDXTOBFVWKAH-BTDICHCPSA-N 1 2 249.358 2.647 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)[C@@H](O)c1ccc(F)cc1 ZINC000302675199 386929763 /nfs/dbraw/zinc/92/97/63/386929763.db2.gz PPKHYKKQGFULIJ-QMTHXVAHSA-N 1 2 246.285 2.755 20 0 BFADLO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000336763297 386957317 /nfs/dbraw/zinc/95/73/17/386957317.db2.gz OYSKDFZPMPUCCE-KKHAAJSZSA-N 1 2 221.266 2.961 20 0 BFADLO FC(F)C[N@H+](CC1CCC1)C[C@H]1CCCCO1 ZINC000341749213 386959272 /nfs/dbraw/zinc/95/92/72/386959272.db2.gz FEUVLGFWBBYKLD-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)C[N@@H+](CC1CCC1)C[C@H]1CCCCO1 ZINC000341749213 386959276 /nfs/dbraw/zinc/95/92/76/386959276.db2.gz FEUVLGFWBBYKLD-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000334891883 386966060 /nfs/dbraw/zinc/96/60/60/386966060.db2.gz ZMQAUSNRVSEQBD-AAEUAGOBSA-N 1 2 234.343 2.925 20 0 BFADLO CCCC(C)(C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000368455733 386975599 /nfs/dbraw/zinc/97/55/99/386975599.db2.gz SWBMSRHVRJSGSP-SNVBAGLBSA-N 1 2 249.358 2.525 20 0 BFADLO CCCC(C)(C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000368455733 386975602 /nfs/dbraw/zinc/97/56/02/386975602.db2.gz SWBMSRHVRJSGSP-SNVBAGLBSA-N 1 2 249.358 2.525 20 0 BFADLO COc1cc(F)cc(C[NH2+][C@H](C)C(F)F)c1 ZINC000312394798 386979943 /nfs/dbraw/zinc/97/99/43/386979943.db2.gz HRAUXVQXXASHQW-SSDOTTSWSA-N 1 2 233.233 2.578 20 0 BFADLO CC(C)(C)CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000341929404 387003089 /nfs/dbraw/zinc/00/30/89/387003089.db2.gz BAZHUJDMOYPVOK-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO CC(C)(C)CCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000341929404 387003093 /nfs/dbraw/zinc/00/30/93/387003093.db2.gz BAZHUJDMOYPVOK-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H]2/C=C/CCCCC2)no1 ZINC000336029704 387010134 /nfs/dbraw/zinc/01/01/34/387010134.db2.gz BLNZKHRVAHZODC-WMADIVHISA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H]2/C=C/CCCCC2)no1 ZINC000336029704 387010138 /nfs/dbraw/zinc/01/01/38/387010138.db2.gz BLNZKHRVAHZODC-WMADIVHISA-N 1 2 235.331 2.699 20 0 BFADLO C[C@]1(CNc2cccc[nH+]2)CCO[C@H]1C1CC1 ZINC000368765475 387010712 /nfs/dbraw/zinc/01/07/12/387010712.db2.gz PBOFBPQMOCIKJF-UONOGXRCSA-N 1 2 232.327 2.699 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)c(F)c1 ZINC000514609641 387014674 /nfs/dbraw/zinc/01/46/74/387014674.db2.gz SFFLXEHZIIJYEB-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@](C)(F)C2)c(F)c1 ZINC000514609641 387014678 /nfs/dbraw/zinc/01/46/78/387014678.db2.gz SFFLXEHZIIJYEB-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2CC[C@H]2C)c(C)[nH+]1 ZINC000334939982 387016983 /nfs/dbraw/zinc/01/69/83/387016983.db2.gz YRCCSNCJFIWNCH-KCJUWKMLSA-N 1 2 233.315 2.618 20 0 BFADLO Cc1[nH+]cccc1Cc1noc([C@H]2CC2(C)C)n1 ZINC000334992690 387082040 /nfs/dbraw/zinc/08/20/40/387082040.db2.gz JKTUQGZZTKLTDP-LLVKDONJSA-N 1 2 243.310 2.877 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000336260001 387089635 /nfs/dbraw/zinc/08/96/35/387089635.db2.gz ZWVVOTKMLNIJGI-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000336260001 387089640 /nfs/dbraw/zinc/08/96/40/387089640.db2.gz ZWVVOTKMLNIJGI-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccccn2)o1 ZINC000228577362 387093413 /nfs/dbraw/zinc/09/34/13/387093413.db2.gz BBOIPWQSBCVOTR-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000336263073 387097039 /nfs/dbraw/zinc/09/70/39/387097039.db2.gz PRASKFLYNLLFKB-SECBINFHSA-N 1 2 248.223 2.644 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000336263073 387097043 /nfs/dbraw/zinc/09/70/43/387097043.db2.gz PRASKFLYNLLFKB-SECBINFHSA-N 1 2 248.223 2.644 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCC[C@](C)(F)C1 ZINC000336270227 387104171 /nfs/dbraw/zinc/10/41/71/387104171.db2.gz VYVJMNUQMCEXOP-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336270227 387104177 /nfs/dbraw/zinc/10/41/77/387104177.db2.gz VYVJMNUQMCEXOP-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccnc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000336270227 387104183 /nfs/dbraw/zinc/10/41/83/387104183.db2.gz VYVJMNUQMCEXOP-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO C[C@@H]1C[C@H](Sc2[nH+]cc3ccccn32)CCO1 ZINC000335009295 387104630 /nfs/dbraw/zinc/10/46/30/387104630.db2.gz VRLYCGIWJJMCKN-ZYHUDNBSSA-N 1 2 248.351 2.994 20 0 BFADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cn1 ZINC000119195466 387105039 /nfs/dbraw/zinc/10/50/39/387105039.db2.gz RZBCLHJVGOJBLS-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1cc[nH+]cc1NCc1cccc2c1OCO2 ZINC000071413665 387123188 /nfs/dbraw/zinc/12/31/88/387123188.db2.gz GKGOVEWVKQJPJJ-UHFFFAOYSA-N 1 2 242.278 2.731 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)C(C)(F)F ZINC000321347570 387124261 /nfs/dbraw/zinc/12/42/61/387124261.db2.gz CEMFNDTVYVVUHO-MRVPVSSYSA-N 1 2 203.232 2.721 20 0 BFADLO Cc1cnc(C[NH+]2CC3(CCC3(F)F)C2)s1 ZINC000336229184 387068460 /nfs/dbraw/zinc/06/84/60/387068460.db2.gz LAWUDLLIGRFKDN-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO C[C@H]([NH2+]Cc1cccnc1)c1c(F)cncc1F ZINC000353122707 387143419 /nfs/dbraw/zinc/14/34/19/387143419.db2.gz WGGMSHLZBDJARF-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccn1)c1c(F)cncc1F ZINC000353148509 387146229 /nfs/dbraw/zinc/14/62/29/387146229.db2.gz ZZVXPFGTEFINNI-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(F)(F)F ZINC000648539941 387173025 /nfs/dbraw/zinc/17/30/25/387173025.db2.gz NKUDWBARYXJPNV-BBBLOLIVSA-N 1 2 239.281 2.875 20 0 BFADLO Cc1nc([C@](C)([NH2+][C@@H]2C=CCCC2)C2CC2)no1 ZINC000571839304 387180897 /nfs/dbraw/zinc/18/08/97/387180897.db2.gz ZGYPPZYVOORYHW-TZMCWYRMSA-N 1 2 247.342 2.702 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000057597693 387140177 /nfs/dbraw/zinc/14/01/77/387140177.db2.gz YGFGCVREKBLGFQ-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000057597693 387140183 /nfs/dbraw/zinc/14/01/83/387140183.db2.gz YGFGCVREKBLGFQ-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO CO[C@@H](C)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292847794 387207966 /nfs/dbraw/zinc/20/79/66/387207966.db2.gz VKRHYJXUSBCCCH-GXSJLCMTSA-N 1 2 229.270 2.617 20 0 BFADLO Cc1cccc(C[NH2+]CC(C)(F)F)c1F ZINC000571970536 387212834 /nfs/dbraw/zinc/21/28/34/387212834.db2.gz ROVNEWJEJVRHPM-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000424652995 387235448 /nfs/dbraw/zinc/23/54/48/387235448.db2.gz GCOMGOBMAQFYGU-GWCFXTLKSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(C)c(NC(=O)c2ccccn2)c(C)[nH+]1 ZINC000097039878 387235648 /nfs/dbraw/zinc/23/56/48/387235648.db2.gz YVJYEAIBVNHBOG-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO CCc1cc(C[NH2+]Cc2cccc(C)c2F)on1 ZINC000572105942 387236152 /nfs/dbraw/zinc/23/61/52/387236152.db2.gz CATPHUGCRLONCK-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)Cc1cccs1 ZINC000572135307 387245159 /nfs/dbraw/zinc/24/51/59/387245159.db2.gz UKKNEURPUZODCL-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)s1 ZINC000371371665 387201041 /nfs/dbraw/zinc/20/10/41/387201041.db2.gz CUAVOVNLTZAYOL-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ncon2)s1 ZINC000371371665 387201045 /nfs/dbraw/zinc/20/10/45/387201045.db2.gz CUAVOVNLTZAYOL-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000648642247 387268719 /nfs/dbraw/zinc/26/87/19/387268719.db2.gz CEJBDWBQITVWCK-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000648642247 387268722 /nfs/dbraw/zinc/26/87/22/387268722.db2.gz CEJBDWBQITVWCK-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(F)nc1 ZINC000189281842 387281206 /nfs/dbraw/zinc/28/12/06/387281206.db2.gz IEMMKISIWQEACV-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(F)nc1 ZINC000189281842 387281211 /nfs/dbraw/zinc/28/12/11/387281211.db2.gz IEMMKISIWQEACV-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000360475566 387295564 /nfs/dbraw/zinc/29/55/64/387295564.db2.gz URQAEGWEUOLHRD-WOPDTQHZSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1cc(C)c(NC(=O)c2ccncc2)c(C)[nH+]1 ZINC000121108443 387300680 /nfs/dbraw/zinc/30/06/80/387300680.db2.gz KKGNNDXOFDUBSY-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1cc(C)c(CNc2cc[nH+]c(C)n2)c(C)c1 ZINC000360516983 387302713 /nfs/dbraw/zinc/30/27/13/387302713.db2.gz ISKAKZYJDFDNEC-UHFFFAOYSA-N 1 2 241.338 2.744 20 0 BFADLO COC(=O)C1([NH2+]Cc2ccc(C)cc2)CCCC1 ZINC000353951880 387303319 /nfs/dbraw/zinc/30/33/19/387303319.db2.gz RHDOJPMLYXPPSP-UHFFFAOYSA-N 1 2 247.338 2.570 20 0 BFADLO Cc1ccnc([C@H](C)[NH2+]Cc2nccs2)c1 ZINC000286274897 387320946 /nfs/dbraw/zinc/32/09/46/387320946.db2.gz VMCPVUBEMKOXLE-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cnccc1C[NH2+]C(C)(C)C(F)F ZINC000648562982 387341786 /nfs/dbraw/zinc/34/17/86/387341786.db2.gz DFRSZZIPPZNKIC-UHFFFAOYSA-N 1 2 214.259 2.523 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2F)n1 ZINC000352590863 387344440 /nfs/dbraw/zinc/34/44/40/387344440.db2.gz PNIOFEZDPXBGBY-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO Fc1ccc(SCCn2cc[nH+]c2)cc1F ZINC000121876539 387425244 /nfs/dbraw/zinc/42/52/44/387425244.db2.gz YYDFAAFZPCAPQJ-UHFFFAOYSA-N 1 2 240.278 2.954 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336570514 387394842 /nfs/dbraw/zinc/39/48/42/387394842.db2.gz PZESALXCDHYGLF-MFKMUULPSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336570514 387394846 /nfs/dbraw/zinc/39/48/46/387394846.db2.gz PZESALXCDHYGLF-MFKMUULPSA-N 1 2 243.310 2.886 20 0 BFADLO CCN(CCC1CC1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000354601820 387401310 /nfs/dbraw/zinc/40/13/10/387401310.db2.gz VUVHLPMQMXCNTK-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO CCC1(NC(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000121710470 387401397 /nfs/dbraw/zinc/40/13/97/387401397.db2.gz JKGAQVQLUZRJSN-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(=O)OC ZINC000083381214 387406457 /nfs/dbraw/zinc/40/64/57/387406457.db2.gz DCDLKQMYCLWKBF-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)OCC ZINC000083381191 387407270 /nfs/dbraw/zinc/40/72/70/387407270.db2.gz HSCNLHHYSYYMOQ-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO CCCC[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000083381202 387407488 /nfs/dbraw/zinc/40/74/88/387407488.db2.gz JGCXARXAQCMTAH-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000424768239 387408722 /nfs/dbraw/zinc/40/87/22/387408722.db2.gz AEKAEKGUTUIRJM-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO c1cn(CCSc2nc3ccccc3o2)c[nH+]1 ZINC000121825165 387420066 /nfs/dbraw/zinc/42/00/66/387420066.db2.gz ZHHNEFORZROKIU-UHFFFAOYSA-N 1 2 245.307 2.817 20 0 BFADLO CC[N@H+](CC(F)F)CC1(OC)CCCC1 ZINC000361586037 387502188 /nfs/dbraw/zinc/50/21/88/387502188.db2.gz KPCJVQYWXZUOTA-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC[N@@H+](CC(F)F)CC1(OC)CCCC1 ZINC000361586037 387502191 /nfs/dbraw/zinc/50/21/91/387502191.db2.gz KPCJVQYWXZUOTA-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO C[C@H]([NH2+]CC1(F)CC1)c1nc(C(C)(C)C)no1 ZINC000527243381 387543842 /nfs/dbraw/zinc/54/38/42/387543842.db2.gz XDMZGMRAXYHJGX-QMMMGPOBSA-N 1 2 241.310 2.520 20 0 BFADLO CC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)C(=O)OC ZINC000192841784 387541649 /nfs/dbraw/zinc/54/16/49/387541649.db2.gz NKHOUNYGUHIGEU-CQSZACIVSA-N 1 2 249.354 2.653 20 0 BFADLO O=C1CC[N@@H+](Cc2ccc(F)cc2)C2(CCC2)C1 ZINC000516191863 387472848 /nfs/dbraw/zinc/47/28/48/387472848.db2.gz LUKFEBNFLWVZSI-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO O=C1CC[N@H+](Cc2ccc(F)cc2)C2(CCC2)C1 ZINC000516191863 387472853 /nfs/dbraw/zinc/47/28/53/387472853.db2.gz LUKFEBNFLWVZSI-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO CC[N@H+](CCC1CC1)Cc1noc(C(C)C)n1 ZINC000355056005 387473047 /nfs/dbraw/zinc/47/30/47/387473047.db2.gz IJTSEBGQLJHDMD-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@@H+](CCC1CC1)Cc1noc(C(C)C)n1 ZINC000355056005 387473050 /nfs/dbraw/zinc/47/30/50/387473050.db2.gz IJTSEBGQLJHDMD-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO c1cc(N2CC[C@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000336634327 387483938 /nfs/dbraw/zinc/48/39/38/387483938.db2.gz LZIICUKPXCMUHJ-ZYHUDNBSSA-N 1 2 229.327 2.733 20 0 BFADLO FC1(C[N@@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000527509566 387586340 /nfs/dbraw/zinc/58/63/40/387586340.db2.gz YFSAKWLGYUKCJF-SNVBAGLBSA-N 1 2 241.331 2.624 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCC3(CCC3)C2)no1 ZINC000123580853 387586418 /nfs/dbraw/zinc/58/64/18/387586418.db2.gz ZGTCISFXNMGIST-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCC3(CCC3)C2)no1 ZINC000123580853 387586424 /nfs/dbraw/zinc/58/64/24/387586424.db2.gz ZGTCISFXNMGIST-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO FC1(C[N@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000527509566 387586346 /nfs/dbraw/zinc/58/63/46/387586346.db2.gz YFSAKWLGYUKCJF-SNVBAGLBSA-N 1 2 241.331 2.624 20 0 BFADLO Cc1nc(C[NH+]2CCC3(CCCCC3)CC2)n[nH]1 ZINC000428218850 387591574 /nfs/dbraw/zinc/59/15/74/387591574.db2.gz NGWNGXAVURMGMO-UHFFFAOYSA-N 1 2 248.374 2.659 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000122723843 387592553 /nfs/dbraw/zinc/59/25/53/387592553.db2.gz YWJIZZAIBQFXEG-WDEREUQCSA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000122723843 387592556 /nfs/dbraw/zinc/59/25/56/387592556.db2.gz YWJIZZAIBQFXEG-WDEREUQCSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1ccc(NCc2c[nH+]cn2C)cc1C ZINC000305467333 387610044 /nfs/dbraw/zinc/61/00/44/387610044.db2.gz OKUHMRJNLPVAMQ-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO c1coc(-c2cc(COc3cc[nH+]cc3)no2)c1 ZINC000356089163 387615507 /nfs/dbraw/zinc/61/55/07/387615507.db2.gz FOKAEMCUVSSWRI-UHFFFAOYSA-N 1 2 242.234 2.909 20 0 BFADLO Cc1cc(N[C@H]2C[C@@]2(C)C(C)C)nc[nH+]1 ZINC000397196956 387551766 /nfs/dbraw/zinc/55/17/66/387551766.db2.gz OHBTYYRKEZODRX-JQWIXIFHSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1cccc(Cl)c1C[NH+]1CCOCC1 ZINC000355606009 387557411 /nfs/dbraw/zinc/55/74/11/387557411.db2.gz KDASXFRAECTQDA-UHFFFAOYSA-N 1 2 239.746 2.735 20 0 BFADLO CCCC(C)(C)CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000426394671 387563489 /nfs/dbraw/zinc/56/34/89/387563489.db2.gz KEXRHEMRMOYIQH-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO FC(F)(F)c1cccc(Cn2cc[nH+]c2)c1 ZINC000039188354 387574676 /nfs/dbraw/zinc/57/46/76/387574676.db2.gz HMRXUTIYIXVSKW-UHFFFAOYSA-N 1 2 226.201 2.950 20 0 BFADLO CCC(C)(C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422198012 387578277 /nfs/dbraw/zinc/57/82/77/387578277.db2.gz BXMUCKVUTKRPBH-UHFFFAOYSA-N 1 2 249.358 2.686 20 0 BFADLO CC[N@H+](CC(F)F)CC1(SC)CCC1 ZINC000356440703 387659934 /nfs/dbraw/zinc/65/99/34/387659934.db2.gz QVTLCHDVVUHIEN-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC[N@@H+](CC(F)F)CC1(SC)CCC1 ZINC000356440703 387659936 /nfs/dbraw/zinc/65/99/36/387659936.db2.gz QVTLCHDVVUHIEN-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000527714213 387670690 /nfs/dbraw/zinc/67/06/90/387670690.db2.gz XLDMQTWBXWKRSZ-UHFFFAOYSA-N 1 2 224.254 2.913 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000126061442 387673317 /nfs/dbraw/zinc/67/33/17/387673317.db2.gz HEONJZAPOMOVPS-NSHDSACASA-N 1 2 245.326 2.740 20 0 BFADLO CCOCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126402212 387682985 /nfs/dbraw/zinc/68/29/85/387682985.db2.gz QKDSZJLMBFJNAR-UHFFFAOYSA-N 1 2 244.338 2.563 20 0 BFADLO CCOCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126402212 387682987 /nfs/dbraw/zinc/68/29/87/387682987.db2.gz QKDSZJLMBFJNAR-UHFFFAOYSA-N 1 2 244.338 2.563 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377722755 387744614 /nfs/dbraw/zinc/74/46/14/387744614.db2.gz NYCARRKBSZZXKY-GHMZBOCLSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@H]3CCCC[C@H]32)no1 ZINC000377722755 387744622 /nfs/dbraw/zinc/74/46/22/387744622.db2.gz NYCARRKBSZZXKY-GHMZBOCLSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)n1 ZINC000356919936 387747425 /nfs/dbraw/zinc/74/74/25/387747425.db2.gz OLBPYUKSHTYQNV-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000440779687 387697285 /nfs/dbraw/zinc/69/72/85/387697285.db2.gz NYWAALXNHXJYSN-KBPBESRZSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@H](F)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000440779687 387697289 /nfs/dbraw/zinc/69/72/89/387697289.db2.gz NYWAALXNHXJYSN-KBPBESRZSA-N 1 2 237.318 2.808 20 0 BFADLO CC1(C)CCC[C@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000422796655 387699073 /nfs/dbraw/zinc/69/90/73/387699073.db2.gz YVPPPFCMMZBUBQ-JTQLQIEISA-N 1 2 247.342 2.649 20 0 BFADLO CC[C@@H](F)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000440794516 387701581 /nfs/dbraw/zinc/70/15/81/387701581.db2.gz QZWXNBOVKXXUJG-LLVKDONJSA-N 1 2 245.338 2.590 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C3CC3)C2)no1 ZINC000377488623 387718097 /nfs/dbraw/zinc/71/80/97/387718097.db2.gz BOBJQQXFIHYRCR-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](C3CC3)C2)no1 ZINC000377488623 387718104 /nfs/dbraw/zinc/71/81/04/387718104.db2.gz BOBJQQXFIHYRCR-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](C3CC3)C2)no1 ZINC000377488624 387719556 /nfs/dbraw/zinc/71/95/56/387719556.db2.gz BOBJQQXFIHYRCR-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H](C3CC3)C2)no1 ZINC000377488624 387719564 /nfs/dbraw/zinc/71/95/64/387719564.db2.gz BOBJQQXFIHYRCR-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000115574820 387723074 /nfs/dbraw/zinc/72/30/74/387723074.db2.gz MLUWHGQPSXFFIW-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000115574820 387723082 /nfs/dbraw/zinc/72/30/82/387723082.db2.gz MLUWHGQPSXFFIW-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO Cc1nc(C[N@@H+](C(C)C)C2CC(C)(C)C2)no1 ZINC000452102844 387737617 /nfs/dbraw/zinc/73/76/17/387737617.db2.gz JEKVOPSMRNCLLI-UHFFFAOYSA-N 1 2 237.347 2.777 20 0 BFADLO Cc1nc(C[N@H+](C(C)C)C2CC(C)(C)C2)no1 ZINC000452102844 387737624 /nfs/dbraw/zinc/73/76/24/387737624.db2.gz JEKVOPSMRNCLLI-UHFFFAOYSA-N 1 2 237.347 2.777 20 0 BFADLO CN(c1ccccc1)c1cc(NCCF)[nH+]cn1 ZINC000432149677 387766050 /nfs/dbraw/zinc/76/60/50/387766050.db2.gz XMCWOPZFJCNBSN-UHFFFAOYSA-N 1 2 246.289 2.626 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)CCCO1 ZINC000527881846 387771179 /nfs/dbraw/zinc/77/11/79/387771179.db2.gz POIFJDXJXIOWHJ-LBPRGKRZSA-N 1 2 242.322 2.850 20 0 BFADLO c1ccc2[nH+]c(N3CC[C@H](C4CC4)C3)[nH]c2c1 ZINC000378321369 387775809 /nfs/dbraw/zinc/77/58/09/387775809.db2.gz SUACLFDENQLQRT-NSHDSACASA-N 1 2 227.311 2.799 20 0 BFADLO FC(F)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715098 387788179 /nfs/dbraw/zinc/78/81/79/387788179.db2.gz UBVSUNONFVBVHZ-UHFFFAOYSA-N 1 2 239.225 2.623 20 0 BFADLO COc1cc(C)ccc1[NH2+]CC1CCOCC1 ZINC000052178562 387801441 /nfs/dbraw/zinc/80/14/41/387801441.db2.gz CMURRFHZNNTTMP-UHFFFAOYSA-N 1 2 235.327 2.842 20 0 BFADLO CCC(CC)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334126 387805493 /nfs/dbraw/zinc/80/54/93/387805493.db2.gz LPBGDWJIKCLYKZ-UHFFFAOYSA-N 1 2 235.331 2.594 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C(C)(C)C)C1 ZINC000527964205 387811304 /nfs/dbraw/zinc/81/13/04/387811304.db2.gz ULMOWGROCOCJSF-LLVKDONJSA-N 1 2 234.343 2.963 20 0 BFADLO CCC(F)(F)C(C)(C)CNc1cc[nH+]c(C)n1 ZINC000528182000 387872968 /nfs/dbraw/zinc/87/29/68/387872968.db2.gz HSFYCROUIVBMEK-UHFFFAOYSA-N 1 2 243.301 2.690 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2ncccc2c1 ZINC000054108112 387825460 /nfs/dbraw/zinc/82/54/60/387825460.db2.gz ASIYJRVBSDFAOG-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO COc1ccc[nH+]c1NCc1cnc(C2CC2)o1 ZINC000528027785 387831697 /nfs/dbraw/zinc/83/16/97/387831697.db2.gz DYYZHUMCFFNTET-UHFFFAOYSA-N 1 2 245.282 2.568 20 0 BFADLO C/C=C/C[C@@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000432914474 387841094 /nfs/dbraw/zinc/84/10/94/387841094.db2.gz IKXMTQYSZWDHAK-LYKUJDHUSA-N 1 2 247.338 2.674 20 0 BFADLO CC[C@H](NC(=O)[C@@H](C)CC(C)C)c1[nH]cc[nH+]1 ZINC000442812502 387846335 /nfs/dbraw/zinc/84/63/35/387846335.db2.gz RRNZRUBSBDMKOO-QWRGUYRKSA-N 1 2 237.347 2.659 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cc(CO)ccc1F ZINC000528340190 387895336 /nfs/dbraw/zinc/89/53/36/387895336.db2.gz UGWUHCWOQHVZAC-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cc(CO)ccc1F ZINC000528340190 387895340 /nfs/dbraw/zinc/89/53/40/387895340.db2.gz UGWUHCWOQHVZAC-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO CCc1ccccc1CC[N@H+](C)CC(F)F ZINC000444628419 387895484 /nfs/dbraw/zinc/89/54/84/387895484.db2.gz SXYLGNSJMRSPBJ-UHFFFAOYSA-N 1 2 227.298 2.988 20 0 BFADLO CCc1ccccc1CC[N@@H+](C)CC(F)F ZINC000444628419 387895487 /nfs/dbraw/zinc/89/54/87/387895487.db2.gz SXYLGNSJMRSPBJ-UHFFFAOYSA-N 1 2 227.298 2.988 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528352842 387906612 /nfs/dbraw/zinc/90/66/12/387906612.db2.gz FTKZGHXCHDFUBU-IGLBNKAOSA-N 1 2 239.750 2.732 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528352842 387906615 /nfs/dbraw/zinc/90/66/15/387906615.db2.gz FTKZGHXCHDFUBU-IGLBNKAOSA-N 1 2 239.750 2.732 20 0 BFADLO CCC[C@H](C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000195239665 387915210 /nfs/dbraw/zinc/91/52/10/387915210.db2.gz AVENPGVKOHHLTR-NSHDSACASA-N 1 2 249.358 2.912 20 0 BFADLO FC(F)C[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000645800787 387938873 /nfs/dbraw/zinc/93/88/73/387938873.db2.gz WESFAYOAEYPZOU-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000645800787 387938876 /nfs/dbraw/zinc/93/88/76/387938876.db2.gz WESFAYOAEYPZOU-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO CC/C=C\CC[N@H+](C)Cc1nncn1C(C)C ZINC000429287760 387941134 /nfs/dbraw/zinc/94/11/34/387941134.db2.gz ASELCQMRQAAHKQ-SREVYHEPSA-N 1 2 236.363 2.647 20 0 BFADLO CC/C=C\CC[N@@H+](C)Cc1nncn1C(C)C ZINC000429287760 387941138 /nfs/dbraw/zinc/94/11/38/387941138.db2.gz ASELCQMRQAAHKQ-SREVYHEPSA-N 1 2 236.363 2.647 20 0 BFADLO CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)OC ZINC000106032272 387943043 /nfs/dbraw/zinc/94/30/43/387943043.db2.gz SMCADNRONDEFKT-ZIAGYGMSSA-N 1 2 247.338 2.679 20 0 BFADLO CSCc1c[nH+]cn1Cc1ccccc1 ZINC000445601877 387951745 /nfs/dbraw/zinc/95/17/45/387951745.db2.gz VGVAQOZTMOQZDS-UHFFFAOYSA-N 1 2 218.325 2.794 20 0 BFADLO C[C@@H]1C[N@H+](CC2=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000645811032 387962645 /nfs/dbraw/zinc/96/26/45/387962645.db2.gz RXDSWVXNKKRPJU-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000645811032 387962648 /nfs/dbraw/zinc/96/26/48/387962648.db2.gz RXDSWVXNKKRPJU-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO COCC1CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000424313290 387965373 /nfs/dbraw/zinc/96/53/73/387965373.db2.gz ASNDPVXOTYDGFQ-IDKOKCKLSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1cccc2[nH+]c(CSc3ncco3)cn21 ZINC000446074233 387994380 /nfs/dbraw/zinc/99/43/80/387994380.db2.gz WLPFYCJGBZPCGR-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000453093428 387982467 /nfs/dbraw/zinc/98/24/67/387982467.db2.gz RGDSBGPIJIAJEM-WDEREUQCSA-N 1 2 233.315 2.908 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C)nc1 ZINC000453175500 388003701 /nfs/dbraw/zinc/00/37/01/388003701.db2.gz ORGJBPWEDNPOHC-LLVKDONJSA-N 1 2 230.315 2.780 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000246066637 388005952 /nfs/dbraw/zinc/00/59/52/388005952.db2.gz YWJIZZAIBQFXEG-QWRGUYRKSA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000246066637 388005956 /nfs/dbraw/zinc/00/59/56/388005956.db2.gz YWJIZZAIBQFXEG-QWRGUYRKSA-N 1 2 237.347 2.500 20 0 BFADLO CCOC(=O)[C@@H](c1ccccc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754616 388008887 /nfs/dbraw/zinc/00/88/87/388008887.db2.gz BBMNJIKCYUMIJC-MBNYWOFBSA-N 1 2 247.338 2.774 20 0 BFADLO CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754616 388008893 /nfs/dbraw/zinc/00/88/93/388008893.db2.gz BBMNJIKCYUMIJC-MBNYWOFBSA-N 1 2 247.338 2.774 20 0 BFADLO CCCCOC1CCN(c2cccc[nH+]2)CC1 ZINC000439715485 388015402 /nfs/dbraw/zinc/01/54/02/388015402.db2.gz OTKHLLBQYPGPGO-UHFFFAOYSA-N 1 2 234.343 2.867 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cncs1)C(F)F ZINC000453228309 388016438 /nfs/dbraw/zinc/01/64/38/388016438.db2.gz BMXVFSLRFVYLHM-BQBZGAKWSA-N 1 2 220.288 2.837 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(F)F ZINC000453229470 388017233 /nfs/dbraw/zinc/01/72/33/388017233.db2.gz DCPITRXVAJKLPL-JOYOIKCWSA-N 1 2 243.297 2.873 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cccc(CO)c1)C(F)F ZINC000453229473 388017361 /nfs/dbraw/zinc/01/73/61/388017361.db2.gz DCPITRXVAJKLPL-SKDRFNHKSA-N 1 2 243.297 2.873 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(F)F ZINC000453242948 388022612 /nfs/dbraw/zinc/02/26/12/388022612.db2.gz INRTXBLGKMZKQA-KCJUWKMLSA-N 1 2 243.301 2.788 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cccnc1)C(F)F ZINC000453245678 388023322 /nfs/dbraw/zinc/02/33/22/388023322.db2.gz LRXOJMAVQWJHDB-SCZZXKLOSA-N 1 2 214.259 2.776 20 0 BFADLO CCC1(CC)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000446722209 388032996 /nfs/dbraw/zinc/03/29/96/388032996.db2.gz CFPQWXJBRRWLNU-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCC1(CC)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000446722209 388033000 /nfs/dbraw/zinc/03/30/00/388033000.db2.gz CFPQWXJBRRWLNU-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC2(C(C)C)CC2)[nH+]1 ZINC000440198511 388035450 /nfs/dbraw/zinc/03/54/50/388035450.db2.gz WLEAVTVUYJLWSS-UHFFFAOYSA-N 1 2 244.342 2.536 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000448836271 388114867 /nfs/dbraw/zinc/11/48/67/388114867.db2.gz ODONLZGHCGZMOT-GHMZBOCLSA-N 1 2 248.326 2.711 20 0 BFADLO CCc1cc(N)nc(SCc2ccccc2)[nH+]1 ZINC000447786872 388092546 /nfs/dbraw/zinc/09/25/46/388092546.db2.gz NYJIEJJTFHFYNP-UHFFFAOYSA-N 1 2 245.351 2.744 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](C)CO ZINC000086631153 388105454 /nfs/dbraw/zinc/10/54/54/388105454.db2.gz CGLOFSGPMYCAPM-SNVBAGLBSA-N 1 2 230.311 2.584 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@H](C)CO ZINC000086631155 388105476 /nfs/dbraw/zinc/10/54/76/388105476.db2.gz CGLOFSGPMYCAPM-JTQLQIEISA-N 1 2 230.311 2.584 20 0 BFADLO CC(C)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000447061452 388049233 /nfs/dbraw/zinc/04/92/33/388049233.db2.gz WNVMLSGZBDAAEU-LBPRGKRZSA-N 1 2 231.343 2.836 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000648720678 388157833 /nfs/dbraw/zinc/15/78/33/388157833.db2.gz SQOITOIWBWIHNF-VIFPVBQESA-N 1 2 226.320 2.564 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000648720678 388157835 /nfs/dbraw/zinc/15/78/35/388157835.db2.gz SQOITOIWBWIHNF-VIFPVBQESA-N 1 2 226.320 2.564 20 0 BFADLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccncc1F ZINC000449238006 388160106 /nfs/dbraw/zinc/16/01/06/388160106.db2.gz DZEUEZRRYGVLID-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccncc1F ZINC000449238006 388160109 /nfs/dbraw/zinc/16/01/09/388160109.db2.gz DZEUEZRRYGVLID-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@H](CC)CC[C@@H]2C)no1 ZINC000449273143 388165745 /nfs/dbraw/zinc/16/57/45/388165745.db2.gz XPFJUGSBYWKTCG-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@H+]2C[C@H](CC)CC[C@@H]2C)no1 ZINC000449273143 388165747 /nfs/dbraw/zinc/16/57/47/388165747.db2.gz XPFJUGSBYWKTCG-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2ccoc21 ZINC000449379691 388188029 /nfs/dbraw/zinc/18/80/29/388188029.db2.gz JMRPZQSFBQWRPF-UHFFFAOYSA-N 1 2 225.238 2.830 20 0 BFADLO Clc1ccccc1C[N@H+](C1CC1)C1COC1 ZINC000449349772 388178998 /nfs/dbraw/zinc/17/89/98/388178998.db2.gz HRENHXOSKDFVLV-UHFFFAOYSA-N 1 2 237.730 2.703 20 0 BFADLO Clc1ccccc1C[N@@H+](C1CC1)C1COC1 ZINC000449349772 388179000 /nfs/dbraw/zinc/17/90/00/388179000.db2.gz HRENHXOSKDFVLV-UHFFFAOYSA-N 1 2 237.730 2.703 20 0 BFADLO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1cocn1 ZINC000449353250 388179724 /nfs/dbraw/zinc/17/97/24/388179724.db2.gz ZHMAEZGAMDHRMB-AWEZNQCLSA-N 1 2 246.285 2.981 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc2cccnc2o1)C(F)F ZINC000449358753 388181209 /nfs/dbraw/zinc/18/12/09/388181209.db2.gz GIPZVVHKFLCPJF-SNVBAGLBSA-N 1 2 240.253 2.961 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](CC)C(F)F)cn1 ZINC000449363040 388182190 /nfs/dbraw/zinc/18/21/90/388182190.db2.gz OPFOJDZGWSLNCX-NSHDSACASA-N 1 2 228.286 2.777 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccc1F)C(F)F ZINC000449365838 388183207 /nfs/dbraw/zinc/18/32/07/388183207.db2.gz WYMQCZLZDSGNER-SNVBAGLBSA-N 1 2 217.234 2.959 20 0 BFADLO CC[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)C(F)F ZINC000449364577 388183265 /nfs/dbraw/zinc/18/32/65/388183265.db2.gz SLNVZEXTLMWHTE-LLVKDONJSA-N 1 2 245.317 2.906 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccsc1)C(F)F ZINC000449366680 388184112 /nfs/dbraw/zinc/18/41/12/388184112.db2.gz ZUOCRAKHMYCKEI-MRVPVSSYSA-N 1 2 205.273 2.881 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C(C)C)C1CC1 ZINC000324488167 388121185 /nfs/dbraw/zinc/12/11/85/388121185.db2.gz DAGFYMSUOJUKMX-GFCCVEGCSA-N 1 2 220.316 2.937 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2cnc[nH]2)CCC1 ZINC000646024893 388127188 /nfs/dbraw/zinc/12/71/88/388127188.db2.gz WEWOPGHCMJNHBL-UHFFFAOYSA-N 1 2 245.301 2.718 20 0 BFADLO Cc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1F ZINC000449016782 388130393 /nfs/dbraw/zinc/13/03/93/388130393.db2.gz XCZUIYGYUNDLTF-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2CCOC(C)(C)C2)c1F ZINC000449016782 388130396 /nfs/dbraw/zinc/13/03/96/388130396.db2.gz XCZUIYGYUNDLTF-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO COc1cc(C)ccc1C[NH2+]Cc1cc(C)on1 ZINC000449097039 388141910 /nfs/dbraw/zinc/14/19/10/388141910.db2.gz KMVJZZZIVQDMBQ-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)CC(C)(C)C)cc[nH+]1 ZINC000455031767 388145639 /nfs/dbraw/zinc/14/56/39/388145639.db2.gz AQJYKMAWWUWGEK-NSHDSACASA-N 1 2 249.358 2.758 20 0 BFADLO Cc1cnc(C[NH2+]Cc2occc2C)s1 ZINC000164837777 388248476 /nfs/dbraw/zinc/24/84/76/388248476.db2.gz ZXHHPZXKWLLOEI-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2[nH]ccc21 ZINC000449380994 388188861 /nfs/dbraw/zinc/18/88/61/388188861.db2.gz PYVHUZQOFHQCNL-UHFFFAOYSA-N 1 2 224.254 2.565 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2occc2c1 ZINC000449382398 388188867 /nfs/dbraw/zinc/18/88/67/388188867.db2.gz WNMJQEBSOZNTDL-UHFFFAOYSA-N 1 2 225.238 2.830 20 0 BFADLO FC(F)Oc1ccccc1C[N@@H+]1CC[C@H](F)C1 ZINC000449390065 388192137 /nfs/dbraw/zinc/19/21/37/388192137.db2.gz VCABPIFRJMDSQP-JTQLQIEISA-N 1 2 245.244 2.832 20 0 BFADLO FC(F)Oc1ccccc1C[N@H+]1CC[C@H](F)C1 ZINC000449390065 388192138 /nfs/dbraw/zinc/19/21/38/388192138.db2.gz VCABPIFRJMDSQP-JTQLQIEISA-N 1 2 245.244 2.832 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000449394631 388193656 /nfs/dbraw/zinc/19/36/56/388193656.db2.gz OFKSDACWUUTVIF-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000449394631 388193658 /nfs/dbraw/zinc/19/36/58/388193658.db2.gz OFKSDACWUUTVIF-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO C[C@H]([NH2+]Cc1cc2cccnc2o1)C(C)(F)F ZINC000449412519 388198051 /nfs/dbraw/zinc/19/80/51/388198051.db2.gz FXXQJZNRVXGCDN-QMMMGPOBSA-N 1 2 240.253 2.961 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)CCC2CCC2)c2[nH+]ccn21 ZINC000456399355 388199370 /nfs/dbraw/zinc/19/93/70/388199370.db2.gz CUOGLGSKZQYIBW-CMPLNLGQSA-N 1 2 247.342 2.585 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456401539 388199625 /nfs/dbraw/zinc/19/96/25/388199625.db2.gz VSJYDBFPOVKWNK-QJPTWQEYSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(CC)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456424244 388200173 /nfs/dbraw/zinc/20/01/73/388200173.db2.gz PILMCHGYDJXQDC-ZYHUDNBSSA-N 1 2 249.358 2.831 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456418616 388200350 /nfs/dbraw/zinc/20/03/50/388200350.db2.gz LIYJQZPDIYVRRI-QJPTWQEYSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(C)(C)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456426903 388201342 /nfs/dbraw/zinc/20/13/42/388201342.db2.gz QTXMKZFEQYXCIO-MNOVXSKESA-N 1 2 249.358 2.831 20 0 BFADLO C[N@H+](Cc1nccn1C(F)F)[C@H]1CC1(C)C ZINC000489502423 388220107 /nfs/dbraw/zinc/22/01/07/388220107.db2.gz RNNWVFPKZYEPSB-QMMMGPOBSA-N 1 2 229.274 2.509 20 0 BFADLO C[N@@H+](Cc1nccn1C(F)F)[C@H]1CC1(C)C ZINC000489502423 388220110 /nfs/dbraw/zinc/22/01/10/388220110.db2.gz RNNWVFPKZYEPSB-QMMMGPOBSA-N 1 2 229.274 2.509 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H](C)C(C)C)c[nH+]1 ZINC000456836275 388226668 /nfs/dbraw/zinc/22/66/68/388226668.db2.gz JNJPOQZPRPPSSS-GFCCVEGCSA-N 1 2 234.343 2.607 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c[nH+]1 ZINC000456852950 388228555 /nfs/dbraw/zinc/22/85/55/388228555.db2.gz XTEPLJCZCUCDAV-ZIAGYGMSSA-N 1 2 246.354 2.607 20 0 BFADLO CC(C)c1nc(N2CC[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000490023530 388231325 /nfs/dbraw/zinc/23/13/25/388231325.db2.gz FRVNSVBTNPNROG-NEPJUHHUSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnc(C2CC2)nc1 ZINC000459450712 388245912 /nfs/dbraw/zinc/24/59/12/388245912.db2.gz ORCCQOKTFDSLGC-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO Cc1ccc(NC(=O)/C=C\c2ccc[nH]2)c(C)[nH+]1 ZINC000492008270 388331472 /nfs/dbraw/zinc/33/14/72/388331472.db2.gz JJSHWACZBTUHOZ-VURMDHGXSA-N 1 2 241.294 2.678 20 0 BFADLO C[C@H](O)C[N@H+](CCC1CCCC1)CC(F)F ZINC000451855301 388301070 /nfs/dbraw/zinc/30/10/70/388301070.db2.gz RTWSHEIVWUGYGX-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[C@H](O)C[N@@H+](CCC1CCCC1)CC(F)F ZINC000451855301 388301071 /nfs/dbraw/zinc/30/10/71/388301071.db2.gz RTWSHEIVWUGYGX-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C/C1CCCCC1 ZINC000491859812 388324902 /nfs/dbraw/zinc/32/49/02/388324902.db2.gz PPYSSQVZPAEPPB-BQYQJAHWSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1cn2cc(NC(=O)/C=C\C3CC3)ccc2[nH+]1 ZINC000491906007 388327073 /nfs/dbraw/zinc/32/70/73/388327073.db2.gz PVFGLJQGSRTHKP-DAXSKMNVSA-N 1 2 241.294 2.547 20 0 BFADLO Cc1cn[nH]c1C[NH2+]C(C)(C)c1ccccc1F ZINC000492001205 388331100 /nfs/dbraw/zinc/33/11/00/388331100.db2.gz QBTTYNZGBYSGLZ-UHFFFAOYSA-N 1 2 247.317 2.882 20 0 BFADLO Cc1c[nH]nc1C[NH2+]C(C)(C)c1ccccc1F ZINC000492001205 388331101 /nfs/dbraw/zinc/33/11/01/388331101.db2.gz QBTTYNZGBYSGLZ-UHFFFAOYSA-N 1 2 247.317 2.882 20 0 BFADLO C/C=C(/C=C/C(=O)N[C@H](CC)c1[nH]cc[nH+]1)CC ZINC000492006424 388331430 /nfs/dbraw/zinc/33/14/30/388331430.db2.gz VIFFTWJMIAJRFY-HXBQXLRMSA-N 1 2 247.342 2.890 20 0 BFADLO Cc1ccoc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293575182 388390402 /nfs/dbraw/zinc/39/04/02/388390402.db2.gz AGQANBAQOFRMMQ-QWRGUYRKSA-N 1 2 231.299 2.580 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(F)c(F)c1 ZINC000237521862 388395940 /nfs/dbraw/zinc/39/59/40/388395940.db2.gz WWLZLIQRDKJHHL-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000520464128 256673998 /nfs/dbraw/zinc/67/39/98/256673998.db2.gz YMHVBSKYYAGYBM-NXEZZACHSA-N 1 2 219.332 2.576 20 0 BFADLO CC=C(C=CC(=O)Nc1cc[nH+]c(C)c1)CC ZINC000492152658 388336704 /nfs/dbraw/zinc/33/67/04/388336704.db2.gz DHNFZTRFAJVDEK-WLWVQNKQSA-N 1 2 230.311 2.663 20 0 BFADLO C/C=C(/C=C/C(=O)Nc1c[nH+]ccc1OC)CC ZINC000492171275 388337268 /nfs/dbraw/zinc/33/72/68/388337268.db2.gz RHIZXTLQEWSIAX-HNGDNPSASA-N 1 2 246.310 2.941 20 0 BFADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(F)(F)F ZINC000308626052 388444762 /nfs/dbraw/zinc/44/47/62/388444762.db2.gz WIUUJTCJXRFLRC-BGZDPUMWSA-N 1 2 209.255 2.961 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000084102445 256758399 /nfs/dbraw/zinc/75/83/99/256758399.db2.gz RVXBWVPNEPGFLT-OCCSQVGLSA-N 1 2 249.354 2.987 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134310288 388475904 /nfs/dbraw/zinc/47/59/04/388475904.db2.gz MCIHQOBGFCBGOA-DTWKUNHWSA-N 1 2 226.345 2.639 20 0 BFADLO CCC1(C)C[NH+](Cc2c(C)nn(C)c2Cl)C1 ZINC000297410629 388429911 /nfs/dbraw/zinc/42/99/11/388429911.db2.gz MJALSQNVDDAEGQ-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO c1ccc2[nH+]c(N[C@@H]3C[C@H]4C[C@H]4C3)ccc2c1 ZINC000397774299 388498066 /nfs/dbraw/zinc/49/80/66/388498066.db2.gz RLQDACGAQALFRO-CLLJXQQHSA-N 1 2 224.307 2.867 20 0 BFADLO CC[C@H](NC(=O)c1cc(C)cs1)c1[nH]cc[nH+]1 ZINC000344537474 388506954 /nfs/dbraw/zinc/50/69/54/388506954.db2.gz ZHWMVVPKNLCWLO-VIFPVBQESA-N 1 2 249.339 2.661 20 0 BFADLO CC[C@@H](NC(=O)CC(C)(C)C1CC1)c1[nH]cc[nH+]1 ZINC000346917619 388521769 /nfs/dbraw/zinc/52/17/69/388521769.db2.gz UFMMQHLOKSEUGR-LLVKDONJSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](COC)Nc1c[nH+]c2c(c1)CCCC2 ZINC000548195697 388522150 /nfs/dbraw/zinc/52/21/50/388522150.db2.gz HVGVJNIELJMCGO-LBPRGKRZSA-N 1 2 234.343 2.797 20 0 BFADLO CCC[C@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528426849 388524136 /nfs/dbraw/zinc/52/41/36/388524136.db2.gz UKHPLKDLBHEMFW-VQNWOSHQSA-N 1 2 217.740 2.630 20 0 BFADLO CCC[C@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528426849 388524139 /nfs/dbraw/zinc/52/41/39/388524139.db2.gz UKHPLKDLBHEMFW-VQNWOSHQSA-N 1 2 217.740 2.630 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@@H]1C ZINC000136161184 388524540 /nfs/dbraw/zinc/52/45/40/388524540.db2.gz PTYJKXXGAJQEKV-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000136161184 388524542 /nfs/dbraw/zinc/52/45/42/388524542.db2.gz PTYJKXXGAJQEKV-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO FC1(F)CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528483371 388534371 /nfs/dbraw/zinc/53/43/71/388534371.db2.gz DBMDADWFSDDCAA-UHFFFAOYSA-N 1 2 246.688 2.966 20 0 BFADLO CO[C@H](C)c1nc(C[NH+]2[C@@H](C)C[C@@H]2C)cs1 ZINC000548425412 388536419 /nfs/dbraw/zinc/53/64/19/388536419.db2.gz GVXJACVYOVTWOP-LPEHRKFASA-N 1 2 240.372 2.833 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000528502415 388536595 /nfs/dbraw/zinc/53/65/95/388536595.db2.gz HUJHMGJNIHXUPQ-YVFTVSHDSA-N 1 2 241.722 2.658 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000528502415 388536597 /nfs/dbraw/zinc/53/65/97/388536597.db2.gz HUJHMGJNIHXUPQ-YVFTVSHDSA-N 1 2 241.722 2.658 20 0 BFADLO Cc1nocc1C[NH2+][C@@H]1COc2ccc(C)cc21 ZINC000549780243 388590857 /nfs/dbraw/zinc/59/08/57/388590857.db2.gz DYWUNUSKLFYKCG-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO C[C@H]1CCCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000517626342 388555406 /nfs/dbraw/zinc/55/54/06/388555406.db2.gz CPLWRHNCTAPNRM-RYUDHWBXSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000517626342 388555407 /nfs/dbraw/zinc/55/54/07/388555407.db2.gz CPLWRHNCTAPNRM-RYUDHWBXSA-N 1 2 247.329 2.780 20 0 BFADLO Clc1cccc2c1CC[C@H]2[NH+]1CCOCC1 ZINC000130519089 388561723 /nfs/dbraw/zinc/56/17/23/388561723.db2.gz ZAWKXFOZAFLNTG-CYBMUJFWSA-N 1 2 237.730 2.660 20 0 BFADLO C[C@H](C1CC1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000548816930 388564117 /nfs/dbraw/zinc/56/41/17/388564117.db2.gz MBKLBLXHLNNDNK-SECBINFHSA-N 1 2 217.316 2.589 20 0 BFADLO Cc1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)no1 ZINC000528771765 388570249 /nfs/dbraw/zinc/57/02/49/388570249.db2.gz YLGUUJUPHKYLFK-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)no1 ZINC000528771765 388570250 /nfs/dbraw/zinc/57/02/50/388570250.db2.gz YLGUUJUPHKYLFK-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@@H]2C2CC2)c(C)[nH+]1 ZINC000528811223 388576071 /nfs/dbraw/zinc/57/60/71/388576071.db2.gz JHYUGCXUNWSINT-OWYVNGRQSA-N 1 2 244.338 2.929 20 0 BFADLO CSCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000124949329 388666501 /nfs/dbraw/zinc/66/65/01/388666501.db2.gz MXFIMTJUSUZLQM-UHFFFAOYSA-N 1 2 233.340 2.885 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000125353163 388671016 /nfs/dbraw/zinc/67/10/16/388671016.db2.gz UBRVTEHQBIYYQS-RYUDHWBXSA-N 1 2 249.358 2.745 20 0 BFADLO Fc1cccnc1C[NH2+]Cc1ccc(Cl)o1 ZINC000125775069 388676747 /nfs/dbraw/zinc/67/67/47/388676747.db2.gz ANOSYMUKRKSLNS-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CSCc1cnc(C[N@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000552214889 388682153 /nfs/dbraw/zinc/68/21/53/388682153.db2.gz SQHVJIGJZZXTMP-DTORHVGOSA-N 1 2 242.413 2.989 20 0 BFADLO CSCc1cnc(C[N@@H+]2[C@H](C)C[C@@H]2C)s1 ZINC000552214889 388682155 /nfs/dbraw/zinc/68/21/55/388682155.db2.gz SQHVJIGJZZXTMP-DTORHVGOSA-N 1 2 242.413 2.989 20 0 BFADLO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccoc1 ZINC000247044401 388657467 /nfs/dbraw/zinc/65/74/67/388657467.db2.gz OJSQXKCLTTZZNU-VXGBXAGGSA-N 1 2 224.348 2.661 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC000552043909 388664407 /nfs/dbraw/zinc/66/44/07/388664407.db2.gz GPVPOTQRUVKJGT-GHMZBOCLSA-N 1 2 247.346 2.599 20 0 BFADLO COC(=O)C1([NH2+]Cc2cccc(C)c2)CCCC1 ZINC000089422361 388736966 /nfs/dbraw/zinc/73/69/66/388736966.db2.gz BDXMNDSWPUQMLB-UHFFFAOYSA-N 1 2 247.338 2.570 20 0 BFADLO C[C@H](CF)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000288510727 388748465 /nfs/dbraw/zinc/74/84/65/388748465.db2.gz SVRJCSLGKGPKGK-MRVPVSSYSA-N 1 2 230.352 2.888 20 0 BFADLO FC(F)(F)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000192905056 388688985 /nfs/dbraw/zinc/68/89/85/388688985.db2.gz ZFCLAXVFSIJMHR-SECBINFHSA-N 1 2 230.233 2.860 20 0 BFADLO CCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000195058012 388694191 /nfs/dbraw/zinc/69/41/91/388694191.db2.gz UVJSBRBSVCCKQF-UHFFFAOYSA-N 1 2 243.310 2.649 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000126964833 388709627 /nfs/dbraw/zinc/70/96/27/388709627.db2.gz QVQONJSPGBPBEQ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000126964833 388709630 /nfs/dbraw/zinc/70/96/30/388709630.db2.gz QVQONJSPGBPBEQ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CCCC1(CNc2cc(C)[nH+]cn2)CC1 ZINC000230149881 388817606 /nfs/dbraw/zinc/81/76/06/388817606.db2.gz QNOJDPRDWGBJME-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO COc1cccc(C[N@@H+]2Cc3cccnc3C2)c1 ZINC000556088180 388866961 /nfs/dbraw/zinc/86/69/61/388866961.db2.gz JUZXJDRWVCHBNE-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc(C[N@H+]2Cc3cccnc3C2)c1 ZINC000556088180 388866962 /nfs/dbraw/zinc/86/69/62/388866962.db2.gz JUZXJDRWVCHBNE-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO Cc1oncc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000129499132 388847461 /nfs/dbraw/zinc/84/74/61/388847461.db2.gz DJGGQFAFPQMVOO-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1oncc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000129499132 388847463 /nfs/dbraw/zinc/84/74/63/388847463.db2.gz DJGGQFAFPQMVOO-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000565099498 388914952 /nfs/dbraw/zinc/91/49/52/388914952.db2.gz KNZNHZBWZISLMZ-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](F)C1 ZINC000565099498 388914954 /nfs/dbraw/zinc/91/49/54/388914954.db2.gz KNZNHZBWZISLMZ-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000565100304 388915491 /nfs/dbraw/zinc/91/54/91/388915491.db2.gz SYIWIIQKXXDMPG-QMMMGPOBSA-N 1 2 217.671 2.867 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000565100304 388915493 /nfs/dbraw/zinc/91/54/93/388915493.db2.gz SYIWIIQKXXDMPG-QMMMGPOBSA-N 1 2 217.671 2.867 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2cnccc2C)o1 ZINC000565515957 388950245 /nfs/dbraw/zinc/95/02/45/388950245.db2.gz PZSHVJSCMTTWOS-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2cnccc2C)o1 ZINC000565515957 388950247 /nfs/dbraw/zinc/95/02/47/388950247.db2.gz PZSHVJSCMTTWOS-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)nc[nH+]1 ZINC000336337775 132246788 /nfs/dbraw/zinc/24/67/88/132246788.db2.gz GMPPDHROKGHOLA-SECBINFHSA-N 1 2 245.248 2.564 20 0 BFADLO COC(C)(C)C[C@@H](C)Nc1cccc[nH+]1 ZINC000266274239 388995808 /nfs/dbraw/zinc/99/58/08/388995808.db2.gz RUHJQAHRVAKINF-SNVBAGLBSA-N 1 2 208.305 2.697 20 0 BFADLO CC(C)[C@@H](O)C(C)(C)CNc1cccc[nH+]1 ZINC000269968507 389011310 /nfs/dbraw/zinc/01/13/10/389011310.db2.gz WSXPXXHHNPPJIT-GFCCVEGCSA-N 1 2 222.332 2.537 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccno1)c1nc(C)cs1 ZINC000273492635 389040854 /nfs/dbraw/zinc/04/08/54/389040854.db2.gz KUCOFZJADXAVSI-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000273713390 389043024 /nfs/dbraw/zinc/04/30/24/389043024.db2.gz QKKNMQFIEPWVHD-BDAKNGLRSA-N 1 2 248.355 2.653 20 0 BFADLO CSC1(C[N@@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC000348405832 136077287 /nfs/dbraw/zinc/07/72/87/136077287.db2.gz JIXJAKJFAOKLOM-VIFPVBQESA-N 1 2 235.343 2.859 20 0 BFADLO CSC1(C[N@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC000348405832 136077288 /nfs/dbraw/zinc/07/72/88/136077288.db2.gz JIXJAKJFAOKLOM-VIFPVBQESA-N 1 2 235.343 2.859 20 0 BFADLO CC[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000266168227 132184204 /nfs/dbraw/zinc/18/42/04/132184204.db2.gz QGIGYZCSEMFITD-LLVKDONJSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1nc(N2CCc3sccc3[C@H]2C)cc[nH+]1 ZINC000266170291 132184331 /nfs/dbraw/zinc/18/43/31/132184331.db2.gz ZEAAFBDYMRAPOK-SECBINFHSA-N 1 2 245.351 2.970 20 0 BFADLO Cc1nc(N2CCC[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000266221222 132185427 /nfs/dbraw/zinc/18/54/27/132185427.db2.gz HUFINYMALOGULZ-VXGBXAGGSA-N 1 2 217.316 2.554 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000267191056 132188935 /nfs/dbraw/zinc/18/89/35/132188935.db2.gz HHPFDSJVDROWRI-LLVKDONJSA-N 1 2 227.311 2.866 20 0 BFADLO CC(C)c1cc(N2CCOCC2)nc(C(C)C)[nH+]1 ZINC000269923150 132195101 /nfs/dbraw/zinc/19/51/01/132195101.db2.gz BCUQCVIWWQIGFG-UHFFFAOYSA-N 1 2 249.358 2.560 20 0 BFADLO Cc1nc(N2CCCC[C@H]2C(C)C)cc[nH+]1 ZINC000271320003 132199054 /nfs/dbraw/zinc/19/90/54/132199054.db2.gz OBONWHVAJBXDCW-LBPRGKRZSA-N 1 2 219.332 2.800 20 0 BFADLO FCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000294971057 132220122 /nfs/dbraw/zinc/22/01/22/132220122.db2.gz KZXYBRYZDFMTQZ-UHFFFAOYSA-N 1 2 235.306 2.540 20 0 BFADLO Cc1nc(N2CCC[C@@]3(CCSC3)C2)cc[nH+]1 ZINC000336254121 132245545 /nfs/dbraw/zinc/24/55/45/132245545.db2.gz OWUDQNZKPXXLGR-CYBMUJFWSA-N 1 2 249.383 2.509 20 0 BFADLO Cc1cc(N2CCOC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000301063426 132250741 /nfs/dbraw/zinc/25/07/41/132250741.db2.gz CYBDBBJDAGJMLH-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CO[C@@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301153051 132251499 /nfs/dbraw/zinc/25/14/99/132251499.db2.gz LMXLVRAWIQLMBD-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CCC[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301615041 132255442 /nfs/dbraw/zinc/25/54/42/132255442.db2.gz ISDQXFMEDWRXMZ-LBPRGKRZSA-N 1 2 219.332 2.802 20 0 BFADLO CCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110111052 132267758 /nfs/dbraw/zinc/26/77/58/132267758.db2.gz FCTMYCBZJXIPKA-UHFFFAOYSA-N 1 2 234.347 2.679 20 0 BFADLO CCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110111052 132267761 /nfs/dbraw/zinc/26/77/61/132267761.db2.gz FCTMYCBZJXIPKA-UHFFFAOYSA-N 1 2 234.347 2.679 20 0 BFADLO CC1=C[C@@H](C)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000362376007 132281252 /nfs/dbraw/zinc/28/12/52/132281252.db2.gz NVKWOPRNRYXFLX-SECBINFHSA-N 1 2 242.326 2.669 20 0 BFADLO C[C@@H]1CCc2ccccc2N1Cc1[nH+]ccn1C ZINC000057593498 132366087 /nfs/dbraw/zinc/36/60/87/132366087.db2.gz OBCYVNLSGZUZLE-GFCCVEGCSA-N 1 2 241.338 2.761 20 0 BFADLO Cc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)no1 ZINC000347363758 133826971 /nfs/dbraw/zinc/82/69/71/133826971.db2.gz PXYRMLGWCRVPED-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000335930640 134010632 /nfs/dbraw/zinc/01/06/32/134010632.db2.gz JAJOSVKSDBDIDD-BDAKNGLRSA-N 1 2 244.260 2.941 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000335930640 134010633 /nfs/dbraw/zinc/01/06/33/134010633.db2.gz JAJOSVKSDBDIDD-BDAKNGLRSA-N 1 2 244.260 2.941 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)no1 ZINC000335946486 134020346 /nfs/dbraw/zinc/02/03/46/134020346.db2.gz SZQQUDNPGBYYPL-NSHDSACASA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)no1 ZINC000335946486 134020347 /nfs/dbraw/zinc/02/03/47/134020347.db2.gz SZQQUDNPGBYYPL-NSHDSACASA-N 1 2 249.358 2.644 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000335947505 134020409 /nfs/dbraw/zinc/02/04/09/134020409.db2.gz ROQQHTCFIRQOCE-GHMZBOCLSA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000335947505 134020410 /nfs/dbraw/zinc/02/04/10/134020410.db2.gz ROQQHTCFIRQOCE-GHMZBOCLSA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000335947506 134020747 /nfs/dbraw/zinc/02/07/47/134020747.db2.gz ROQQHTCFIRQOCE-MNOVXSKESA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2C[C@@H](C)OC(C)(C)C2)o1 ZINC000335947506 134020748 /nfs/dbraw/zinc/02/07/48/134020748.db2.gz ROQQHTCFIRQOCE-MNOVXSKESA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC1(C)C ZINC000335963458 134027247 /nfs/dbraw/zinc/02/72/47/134027247.db2.gz DHNQASHLBJXYPM-LLVKDONJSA-N 1 2 247.342 2.866 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC=C(F)C2)cn1 ZINC000336001587 134047219 /nfs/dbraw/zinc/04/72/19/134047219.db2.gz VMXAZUXYPUJCGT-UHFFFAOYSA-N 1 2 220.291 2.703 20 0 BFADLO CCc1ccc(C[N@H+]2CCC=C(F)C2)cn1 ZINC000336001587 134047220 /nfs/dbraw/zinc/04/72/20/134047220.db2.gz VMXAZUXYPUJCGT-UHFFFAOYSA-N 1 2 220.291 2.703 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000336023186 134056286 /nfs/dbraw/zinc/05/62/86/134056286.db2.gz NQGVZUKMIGZRFY-JTQLQIEISA-N 1 2 235.331 2.961 20 0 BFADLO Cc1ccc(NC(=O)N2[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000336050673 134064696 /nfs/dbraw/zinc/06/46/96/134064696.db2.gz RMQBHIWXRRBNGK-UWVGGRQHSA-N 1 2 233.315 2.713 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000336055573 134066440 /nfs/dbraw/zinc/06/64/40/134066440.db2.gz SHXKGPBOKKOGDE-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000336055573 134066441 /nfs/dbraw/zinc/06/64/41/134066441.db2.gz SHXKGPBOKKOGDE-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO Fc1cncc(C[NH+]2Cc3ccccc3C2)c1 ZINC000336069450 134071547 /nfs/dbraw/zinc/07/15/47/134071547.db2.gz SORSSZNRNKVYOF-UHFFFAOYSA-N 1 2 228.270 2.737 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cccc[nH+]1 ZINC000336080313 134075336 /nfs/dbraw/zinc/07/53/36/134075336.db2.gz JXVVNPXZAJYKTR-BDAKNGLRSA-N 1 2 230.233 2.859 20 0 BFADLO c1cc([C@H]2CCC[N@H+]2Cc2ncccn2)cs1 ZINC000336089853 134078045 /nfs/dbraw/zinc/07/80/45/134078045.db2.gz VQWNLNZHHRGXLD-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc([C@H]2CCC[N@@H+]2Cc2ncccn2)cs1 ZINC000336089853 134078046 /nfs/dbraw/zinc/07/80/46/134078046.db2.gz VQWNLNZHHRGXLD-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO Oc1ccc(F)c(C[NH2+]Cc2ccoc2)c1F ZINC000352202930 134102066 /nfs/dbraw/zinc/10/20/66/134102066.db2.gz NOQWKSQHNZGRKX-UHFFFAOYSA-N 1 2 239.221 2.553 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336189883 134122797 /nfs/dbraw/zinc/12/27/97/134122797.db2.gz SNWQEFJQKDDNIJ-SECBINFHSA-N 1 2 237.372 2.647 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336189883 134122798 /nfs/dbraw/zinc/12/27/98/134122798.db2.gz SNWQEFJQKDDNIJ-SECBINFHSA-N 1 2 237.372 2.647 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000168297361 134167335 /nfs/dbraw/zinc/16/73/35/134167335.db2.gz GBKMZAAVAKJBHX-IJLUTSLNSA-N 1 2 249.358 2.863 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1 ZINC000085167699 134224672 /nfs/dbraw/zinc/22/46/72/134224672.db2.gz MTIVTTBYAPERDU-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000220087929 134298831 /nfs/dbraw/zinc/29/88/31/134298831.db2.gz NLAGIRUDBQNTFU-NWDGAFQWSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000179556110 134321436 /nfs/dbraw/zinc/32/14/36/134321436.db2.gz CZCXHBIXGRNKFH-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCOCC2(C)C)c1 ZINC000179556110 134321437 /nfs/dbraw/zinc/32/14/37/134321437.db2.gz CZCXHBIXGRNKFH-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO COc1cc(F)cc(CNc2cc[nH+]c(C)n2)c1 ZINC000179623544 134323136 /nfs/dbraw/zinc/32/31/36/134323136.db2.gz NNINQGWLTIOFII-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)ccc1Cl ZINC000180419157 134326930 /nfs/dbraw/zinc/32/69/30/134326930.db2.gz WHTSUXODIZXHRN-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)ccc1Cl ZINC000180419157 134326931 /nfs/dbraw/zinc/32/69/31/134326931.db2.gz WHTSUXODIZXHRN-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1c[nH+]cc(NCc2cc(O)cc(F)c2)c1 ZINC000225374381 134354886 /nfs/dbraw/zinc/35/48/86/134354886.db2.gz ZZFFSXDRLWIHQF-UHFFFAOYSA-N 1 2 232.258 2.847 20 0 BFADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)[C@@H](C)C1 ZINC000226178732 134359938 /nfs/dbraw/zinc/35/99/38/134359938.db2.gz SQQXVYLDLXGXOT-VGMNWLOBSA-N 1 2 209.255 2.963 20 0 BFADLO Cc1cc2[nH+]cn(C[C@H]3CCOC3)c2cc1C ZINC000131894889 134635913 /nfs/dbraw/zinc/63/59/13/134635913.db2.gz MMNWZHSQPPXMKP-GFCCVEGCSA-N 1 2 230.311 2.690 20 0 BFADLO O[C@@H]1CCCC[C@H]1CCCNc1cccc[nH+]1 ZINC000154515017 134671569 /nfs/dbraw/zinc/67/15/69/134671569.db2.gz NYZNRPSWPADDCS-QWHCGFSZSA-N 1 2 234.343 2.825 20 0 BFADLO CCc1nc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)no1 ZINC000249735563 135044881 /nfs/dbraw/zinc/04/48/81/135044881.db2.gz FDQUFFICALGVQB-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)no1 ZINC000249735563 135044884 /nfs/dbraw/zinc/04/48/84/135044884.db2.gz FDQUFFICALGVQB-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000251917440 135081944 /nfs/dbraw/zinc/08/19/44/135081944.db2.gz XRYSSULSFHJYHC-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000251917440 135081945 /nfs/dbraw/zinc/08/19/45/135081945.db2.gz XRYSSULSFHJYHC-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO Cc1noc(C)c1[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000078678903 135131340 /nfs/dbraw/zinc/13/13/40/135131340.db2.gz LEIMSFMXKXPEIJ-MRVPVSSYSA-N 1 2 232.287 2.563 20 0 BFADLO CC(C)Cn1cc[nH+]c1CNc1ccc(F)cn1 ZINC000342360087 135262013 /nfs/dbraw/zinc/26/20/13/135262013.db2.gz NEPJGQBCKJSFLJ-UHFFFAOYSA-N 1 2 248.305 2.685 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000262146352 135281959 /nfs/dbraw/zinc/28/19/59/135281959.db2.gz FNEWVXPJCNADLG-XYPYZODXSA-N 1 2 247.342 2.819 20 0 BFADLO CN(Cc1ccoc1)c1[nH+]c2ccccc2n1C ZINC000342702639 135311798 /nfs/dbraw/zinc/31/17/98/135311798.db2.gz FXGOXUHJPNVEOF-UHFFFAOYSA-N 1 2 241.294 2.803 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccc2)n1C ZINC000342784457 135318602 /nfs/dbraw/zinc/31/86/02/135318602.db2.gz QSYIMHJEASLEGE-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccc2)n1C ZINC000342784457 135318603 /nfs/dbraw/zinc/31/86/03/135318603.db2.gz QSYIMHJEASLEGE-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@H](C)c2ccccc2)n1C ZINC000342784457 135318604 /nfs/dbraw/zinc/31/86/04/135318604.db2.gz QSYIMHJEASLEGE-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1c[nH+]c(CN(C)Cc2cccc(C)c2)n1C ZINC000342796456 135320483 /nfs/dbraw/zinc/32/04/83/135320483.db2.gz YYITWIZVTIXALU-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(C)c2)n1C ZINC000342796456 135320484 /nfs/dbraw/zinc/32/04/84/135320484.db2.gz YYITWIZVTIXALU-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(C)c2)n1C ZINC000342796456 135320486 /nfs/dbraw/zinc/32/04/86/135320486.db2.gz YYITWIZVTIXALU-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO C[C@]1([NH2+]Cc2ccn[nH]2)CCCc2ccccc21 ZINC000334166315 135323627 /nfs/dbraw/zinc/32/36/27/135323627.db2.gz AMLYMSXSYHIYBN-HNNXBMFYSA-N 1 2 241.338 2.751 20 0 BFADLO Cc1c[nH+]c(CN2C[C@@H](C)c3ccccc32)n1C ZINC000342770746 135327889 /nfs/dbraw/zinc/32/78/89/135327889.db2.gz ZOOGJURNEFODPW-LLVKDONJSA-N 1 2 241.338 2.852 20 0 BFADLO Cc1c[nH+]c(CN(C)c2cccc(C)c2C)n1C ZINC000342777913 135328337 /nfs/dbraw/zinc/32/83/37/135328337.db2.gz NDFUEQYIWCSDPC-UHFFFAOYSA-N 1 2 243.354 2.982 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c(C)c1 ZINC000164487965 135370283 /nfs/dbraw/zinc/37/02/83/135370283.db2.gz CXGSDVGGNXIOKT-QWHCGFSZSA-N 1 2 221.344 2.552 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000334359835 135371593 /nfs/dbraw/zinc/37/15/93/135371593.db2.gz XHORKLRIHJPAJD-JTQLQIEISA-N 1 2 234.274 2.762 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000334359835 135371596 /nfs/dbraw/zinc/37/15/96/135371596.db2.gz XHORKLRIHJPAJD-JTQLQIEISA-N 1 2 234.274 2.762 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccno1 ZINC000334364688 135372805 /nfs/dbraw/zinc/37/28/05/135372805.db2.gz GWRFGANGVQLANT-SNVBAGLBSA-N 1 2 214.268 2.751 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccno1 ZINC000334364688 135372806 /nfs/dbraw/zinc/37/28/06/135372806.db2.gz GWRFGANGVQLANT-SNVBAGLBSA-N 1 2 214.268 2.751 20 0 BFADLO Cc1noc(C)c1CNc1ccc(C)[nH+]c1C ZINC000094664407 135616546 /nfs/dbraw/zinc/61/65/46/135616546.db2.gz ROIDXLXCQJGFJX-UHFFFAOYSA-N 1 2 231.299 2.915 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000347946070 136019388 /nfs/dbraw/zinc/01/93/88/136019388.db2.gz YUPIHTOIHDHHSJ-IJLUTSLNSA-N 1 2 247.342 2.509 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000335315259 136024179 /nfs/dbraw/zinc/02/41/79/136024179.db2.gz GPWVPXAIFDZMDK-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000335315259 136024180 /nfs/dbraw/zinc/02/41/80/136024180.db2.gz GPWVPXAIFDZMDK-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cc(C)ncn1)C2 ZINC000335337089 136044675 /nfs/dbraw/zinc/04/46/75/136044675.db2.gz MPTAQQUPOCKDJL-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cc(C)ncn1)C2 ZINC000335337089 136044676 /nfs/dbraw/zinc/04/46/76/136044676.db2.gz MPTAQQUPOCKDJL-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc2c1cc[nH+]c2N1CCO[C@@H](C)C1 ZINC000335347888 136067475 /nfs/dbraw/zinc/06/74/75/136067475.db2.gz CTTLIETUUPUATE-LBPRGKRZSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1ccnc(C[NH2+]C(C)(C)c2cccs2)n1 ZINC000348313282 136067702 /nfs/dbraw/zinc/06/77/02/136067702.db2.gz WYAIIUCNYALLGP-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccnc2)c(C)s1 ZINC000348315949 136068164 /nfs/dbraw/zinc/06/81/64/136068164.db2.gz MLHDUYGPFANUDA-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccnc2)c(C)s1 ZINC000348315949 136068165 /nfs/dbraw/zinc/06/81/65/136068165.db2.gz MLHDUYGPFANUDA-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCc1nocc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000335361530 136080868 /nfs/dbraw/zinc/08/08/68/136080868.db2.gz XIHOHONCNUBNLR-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1nocc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000335361530 136080869 /nfs/dbraw/zinc/08/08/69/136080869.db2.gz XIHOHONCNUBNLR-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO Fc1ccc2cc[nH+]c(N3CC[C@H](F)C3)c2c1 ZINC000335401895 136082427 /nfs/dbraw/zinc/08/24/27/136082427.db2.gz WHMNXRYKWFJHCY-NSHDSACASA-N 1 2 234.249 2.922 20 0 BFADLO Cc1ccc(C)c([N@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000335378372 136086496 /nfs/dbraw/zinc/08/64/96/136086496.db2.gz LREIUYZESUSMSP-BETUJISGSA-N 1 2 219.328 2.511 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000335378372 136086497 /nfs/dbraw/zinc/08/64/97/136086497.db2.gz LREIUYZESUSMSP-BETUJISGSA-N 1 2 219.328 2.511 20 0 BFADLO Cc1cc(C)cc([N@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000335380612 136087347 /nfs/dbraw/zinc/08/73/47/136087347.db2.gz UZJUNVBZAUJJJT-XBXGTLAGSA-N 1 2 219.328 2.511 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)C[C@H]2C[C@@H](O)C2)c1 ZINC000335380612 136087348 /nfs/dbraw/zinc/08/73/48/136087348.db2.gz UZJUNVBZAUJJJT-XBXGTLAGSA-N 1 2 219.328 2.511 20 0 BFADLO Cn1c[nH+]cc1CSc1ccccc1 ZINC000335387339 136089342 /nfs/dbraw/zinc/08/93/42/136089342.db2.gz QDGYZCBTWQQGTJ-UHFFFAOYSA-N 1 2 204.298 2.712 20 0 BFADLO Cc1cc(C)c(NC(=O)NCC2CCC2)c(C)[nH+]1 ZINC000335583700 136101225 /nfs/dbraw/zinc/10/12/25/136101225.db2.gz AGAIQWMZOUSEGF-UHFFFAOYSA-N 1 2 247.342 2.928 20 0 BFADLO CS[C@@H]1CC[C@H]1Nc1c[nH+]cc(C)c1 ZINC000335560818 136105714 /nfs/dbraw/zinc/10/57/14/136105714.db2.gz ODWZNAZIRNXHNC-GHMZBOCLSA-N 1 2 208.330 2.696 20 0 BFADLO CS[C@H]1CC[C@H]1Nc1c[nH+]cc(C)c1 ZINC000335560819 136105880 /nfs/dbraw/zinc/10/58/80/136105880.db2.gz ODWZNAZIRNXHNC-MNOVXSKESA-N 1 2 208.330 2.696 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2CC23CC3)c(C)[nH+]1 ZINC000335561846 136106303 /nfs/dbraw/zinc/10/63/03/136106303.db2.gz LDWVFYGPOSMIQH-NSHDSACASA-N 1 2 230.311 2.745 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2CC23CC3)c(C)[nH+]1 ZINC000335561844 136106360 /nfs/dbraw/zinc/10/63/60/136106360.db2.gz LDWVFYGPOSMIQH-LLVKDONJSA-N 1 2 230.311 2.745 20 0 BFADLO C[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CCC1 ZINC000335578644 136111530 /nfs/dbraw/zinc/11/15/30/136111530.db2.gz LKAAFWSXDWQTTL-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(C)(Cl)Cl ZINC000180470035 397856995 /nfs/dbraw/zinc/85/69/95/397856995.db2.gz BVUOZRZPWRHEQE-UHFFFAOYSA-N 1 2 233.098 2.522 20 0 BFADLO Cc1nonc1C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000264986435 397930828 /nfs/dbraw/zinc/93/08/28/397930828.db2.gz AAFQUNVIAMTJIG-VIFPVBQESA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nonc1C[N@H+]1CCc2sccc2[C@@H]1C ZINC000264986435 397930833 /nfs/dbraw/zinc/93/08/33/397930833.db2.gz AAFQUNVIAMTJIG-VIFPVBQESA-N 1 2 249.339 2.559 20 0 BFADLO CCC[N@H+](C[C@H](F)CC)[C@@H](CC)C(=O)OCC ZINC000440527856 397931226 /nfs/dbraw/zinc/93/12/26/397931226.db2.gz UBKOFMQMWITREO-NEPJUHHUSA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@@H+](C[C@H](F)CC)[C@@H](CC)C(=O)OCC ZINC000440527856 397931230 /nfs/dbraw/zinc/93/12/30/397931230.db2.gz UBKOFMQMWITREO-NEPJUHHUSA-N 1 2 247.354 2.788 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CCC1CC1 ZINC000265324178 397932421 /nfs/dbraw/zinc/93/24/21/397932421.db2.gz RDXCFKCHYQSYCG-UHFFFAOYSA-N 1 2 218.300 2.773 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+]CC(C)(F)F)cn1 ZINC000382385649 397944459 /nfs/dbraw/zinc/94/44/59/397944459.db2.gz KRMCNVNZALZEKR-VIFPVBQESA-N 1 2 231.290 2.770 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000382390506 397945660 /nfs/dbraw/zinc/94/56/60/397945660.db2.gz MBHCGYOBDJPQIV-SNVBAGLBSA-N 1 2 226.270 2.704 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CCCc2cccnc21 ZINC000382390505 397945837 /nfs/dbraw/zinc/94/58/37/397945837.db2.gz MBHCGYOBDJPQIV-JTQLQIEISA-N 1 2 226.270 2.704 20 0 BFADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000493478691 397954419 /nfs/dbraw/zinc/95/44/19/397954419.db2.gz HXGREHRXCINUBF-GWJCSSMESA-N 1 2 247.342 2.508 20 0 BFADLO CCN(CC1CCC1)c1cc[nH+]c(C2CC2)n1 ZINC000360055029 397960645 /nfs/dbraw/zinc/96/06/45/397960645.db2.gz OBORBCKXZDVELA-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO CCc1ccc(CNc2cccc[nH+]2)cn1 ZINC000336775015 397908545 /nfs/dbraw/zinc/90/85/45/397908545.db2.gz XVBQGJNEEXGRIJ-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO CCC=CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000648716645 398000740 /nfs/dbraw/zinc/00/07/40/398000740.db2.gz CAFLBTTYLFXFRC-ZZXKWVIFSA-N 1 2 215.300 2.619 20 0 BFADLO CCc1ncc(CNc2cc(C)c[nH+]c2C)cn1 ZINC000650242443 398004124 /nfs/dbraw/zinc/00/41/24/398004124.db2.gz KUOOYUQUXKXKNH-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO CCc1cc[nH+]cc1NCC1(C)CCOCC1 ZINC000650243062 398005396 /nfs/dbraw/zinc/00/53/96/398005396.db2.gz IYQUGGCLEUOTEG-UHFFFAOYSA-N 1 2 234.343 2.873 20 0 BFADLO COCc1cc[nH+]c(NCc2occc2C)c1 ZINC000650243558 398006676 /nfs/dbraw/zinc/00/66/76/398006676.db2.gz DXYPPVKPSOCWAC-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO CCc1ccccc1NCc1[nH+]ccn1C ZINC000034937816 398017813 /nfs/dbraw/zinc/01/78/13/398017813.db2.gz BALFAIHHFHWGLG-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)n1 ZINC000038034430 398024825 /nfs/dbraw/zinc/02/48/25/398024825.db2.gz FQSDWYKOBADSHF-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000038034484 398024917 /nfs/dbraw/zinc/02/49/17/398024917.db2.gz UFGYKPJEHORSLI-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1noc(C)n1 ZINC000278578924 398038963 /nfs/dbraw/zinc/03/89/63/398038963.db2.gz JZNWNFFYDMCSPS-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1noc(C)n1 ZINC000278578924 398038964 /nfs/dbraw/zinc/03/89/64/398038964.db2.gz JZNWNFFYDMCSPS-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649695364 398044061 /nfs/dbraw/zinc/04/40/61/398044061.db2.gz SNVOJKGITZYMLU-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649695364 398044065 /nfs/dbraw/zinc/04/40/65/398044065.db2.gz SNVOJKGITZYMLU-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2nccs2)[C@@H](CC)CO1 ZINC000649718583 398060163 /nfs/dbraw/zinc/06/01/63/398060163.db2.gz BSKLQXNDVGMKBD-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2nccs2)[C@@H](CC)CO1 ZINC000649718583 398060166 /nfs/dbraw/zinc/06/01/66/398060166.db2.gz BSKLQXNDVGMKBD-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cscn2)[C@@H](CC)CO1 ZINC000649721825 398064928 /nfs/dbraw/zinc/06/49/28/398064928.db2.gz CZUAJYRKTUWWJL-RYUDHWBXSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cscn2)[C@@H](CC)CO1 ZINC000649721825 398064930 /nfs/dbraw/zinc/06/49/30/398064930.db2.gz CZUAJYRKTUWWJL-RYUDHWBXSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2ccccc2C)n1 ZINC000283813840 398076518 /nfs/dbraw/zinc/07/65/18/398076518.db2.gz BXRXFKCCIWQMCS-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cc1cc(C)cc(C[N@@H+]2CCn3cncc3C2)c1 ZINC000291577144 398095312 /nfs/dbraw/zinc/09/53/12/398095312.db2.gz OMYRACXPFUBOJA-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(C)cc(C[N@H+]2CCn3cncc3C2)c1 ZINC000291577144 398095314 /nfs/dbraw/zinc/09/53/14/398095314.db2.gz OMYRACXPFUBOJA-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(C)cc(CN2CCn3c[nH+]cc3C2)c1 ZINC000291577144 398095316 /nfs/dbraw/zinc/09/53/16/398095316.db2.gz OMYRACXPFUBOJA-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO CC(C)OCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337433141 167231754 /nfs/dbraw/zinc/23/17/54/167231754.db2.gz ZYJMFAFFHQLIGZ-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337433141 167231759 /nfs/dbraw/zinc/23/17/59/167231759.db2.gz ZYJMFAFFHQLIGZ-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO Cc1[nH]c(CNc2cccc3c2CCO3)[nH+]c1C ZINC000565490860 322911694 /nfs/dbraw/zinc/91/16/94/322911694.db2.gz LOABGCRAFCGNFL-UHFFFAOYSA-N 1 2 243.310 2.574 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CS[C@H](C)C1 ZINC000086936385 487593267 /nfs/dbraw/zinc/59/32/67/487593267.db2.gz FYLZDQWJUBDGCP-PSASIEDQSA-N 1 2 208.330 2.696 20 0 BFADLO CCC[C@@H](C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000682951189 487595630 /nfs/dbraw/zinc/59/56/30/487595630.db2.gz BFKRTRAHVGAKFA-LLVKDONJSA-N 1 2 245.330 2.510 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccccn2)co1 ZINC000072146995 409833428 /nfs/dbraw/zinc/83/34/28/409833428.db2.gz CIRHILABMPGZCY-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccccn2)co1 ZINC000072146995 409833432 /nfs/dbraw/zinc/83/34/32/409833432.db2.gz CIRHILABMPGZCY-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CCSC1 ZINC000651971492 409940478 /nfs/dbraw/zinc/94/04/78/409940478.db2.gz HYHVRSRUASKOBV-QMMMGPOBSA-N 1 2 226.370 2.721 20 0 BFADLO COCC[C@H](C)Nc1[nH+]cccc1SC ZINC000651971366 409942260 /nfs/dbraw/zinc/94/22/60/409942260.db2.gz BNPPJCNVVTUEQQ-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CCO[C@H](C)C1 ZINC000651971331 409942671 /nfs/dbraw/zinc/94/26/71/409942671.db2.gz AKRCLCXMNKNYJE-NXEZZACHSA-N 1 2 238.356 2.783 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1COC(C)(C)C1 ZINC000651971394 409944393 /nfs/dbraw/zinc/94/43/93/409944393.db2.gz CVEIPYAIGCZCKI-SECBINFHSA-N 1 2 238.356 2.783 20 0 BFADLO CSc1ccc[nH+]c1NCc1ccn(C)c1 ZINC000651971916 409946280 /nfs/dbraw/zinc/94/62/80/409946280.db2.gz ZZRYIYJGDGBCTG-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)CCn1cccn1 ZINC000651979426 410112849 /nfs/dbraw/zinc/11/28/49/410112849.db2.gz QRDAISCOWFDJSP-LBPRGKRZSA-N 1 2 244.342 2.731 20 0 BFADLO CN(c1cc[nH+]c(C2CC2)n1)C(C1CC1)C1CC1 ZINC000112965607 410246660 /nfs/dbraw/zinc/24/66/60/410246660.db2.gz VAVAVGJVQOXNSQ-UHFFFAOYSA-N 1 2 243.354 2.979 20 0 BFADLO CCC1(NC(=O)CCc2c[nH+]c[nH]2)CCCCC1 ZINC000456231460 487615386 /nfs/dbraw/zinc/61/53/86/487615386.db2.gz MRCBCNVAEMMRRX-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO CCC1(NC(=O)CCc2c[nH]c[nH+]2)CCCCC1 ZINC000456231460 487615393 /nfs/dbraw/zinc/61/53/93/487615393.db2.gz MRCBCNVAEMMRRX-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000663945586 410394005 /nfs/dbraw/zinc/39/40/05/410394005.db2.gz GDJXSIPUZNHHJG-WPRPVWTQSA-N 1 2 217.316 2.507 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000663945584 410395005 /nfs/dbraw/zinc/39/50/05/410395005.db2.gz GDJXSIPUZNHHJG-SCZZXKLOSA-N 1 2 217.316 2.507 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cncs1 ZINC000664019674 410432186 /nfs/dbraw/zinc/43/21/86/410432186.db2.gz LWIOVGYLLYELML-UHFFFAOYSA-N 1 2 234.324 2.988 20 0 BFADLO C(=C\c1ccncc1)\CNc1cccc[nH+]1 ZINC000309593933 166228085 /nfs/dbraw/zinc/22/80/85/166228085.db2.gz HSGIMTHNIYKPHS-ARJAWSKDSA-N 1 2 211.268 2.602 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1ccoc1C ZINC000667551326 487617824 /nfs/dbraw/zinc/61/78/24/487617824.db2.gz IJUTYSDJBDWCHV-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1ccoc1C ZINC000667551326 487617829 /nfs/dbraw/zinc/61/78/29/487617829.db2.gz IJUTYSDJBDWCHV-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc([C@H](C)C2CC2)no1 ZINC000664815007 410635523 /nfs/dbraw/zinc/63/55/23/410635523.db2.gz VZIDWANTULMTCP-SNVBAGLBSA-N 1 2 243.310 2.877 20 0 BFADLO CC(C)CNc1cc(NCC(C)C)[nH+]cn1 ZINC000040953502 167016166 /nfs/dbraw/zinc/01/61/66/167016166.db2.gz WYSQRHQJLKNTHZ-UHFFFAOYSA-N 1 2 222.336 2.612 20 0 BFADLO CC(C)[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361511872 167027585 /nfs/dbraw/zinc/02/75/85/167027585.db2.gz ADKCJDVZIPWOFQ-UHFFFAOYSA-N 1 2 214.312 2.865 20 0 BFADLO CC(C)[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361511872 167027587 /nfs/dbraw/zinc/02/75/87/167027587.db2.gz ADKCJDVZIPWOFQ-UHFFFAOYSA-N 1 2 214.312 2.865 20 0 BFADLO CC(C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000134192272 167147268 /nfs/dbraw/zinc/14/72/68/167147268.db2.gz WXVIZNVJSPADQW-UHFFFAOYSA-N 1 2 205.305 2.502 20 0 BFADLO Cc1ccc(N[C@@H](C)Cc2cnccn2)c(C)[nH+]1 ZINC000651300918 410907585 /nfs/dbraw/zinc/90/75/85/410907585.db2.gz JZZLFLUQFFPSGL-NSHDSACASA-N 1 2 242.326 2.532 20 0 BFADLO CC(C)Oc1cc(F)ccc1NCc1[nH]cc[nH+]1 ZINC000272497235 167285865 /nfs/dbraw/zinc/28/58/65/167285865.db2.gz WSIHPXVGWADOID-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO CC(C)Oc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147328387 167295065 /nfs/dbraw/zinc/29/50/65/167295065.db2.gz JPSMOWUKJWXFDK-UHFFFAOYSA-N 1 2 229.270 2.829 20 0 BFADLO CC(C)Oc1ccc(F)cc1NCc1[nH]cc[nH+]1 ZINC000129179731 167296049 /nfs/dbraw/zinc/29/60/49/167296049.db2.gz MQLPKHHASPRARI-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO CC(C)SCc1cn2ccccc2[nH+]1 ZINC000267730419 167335808 /nfs/dbraw/zinc/33/58/08/167335808.db2.gz COYNFMBXNKXKJG-UHFFFAOYSA-N 1 2 206.314 2.976 20 0 BFADLO CC(C)[C@@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357131394 167356956 /nfs/dbraw/zinc/35/69/56/167356956.db2.gz JWYKGMCOQMMTNC-RYUDHWBXSA-N 1 2 249.358 2.755 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@@H]1CCCC1(F)F ZINC000651345853 410928087 /nfs/dbraw/zinc/92/80/87/410928087.db2.gz BZNKQIDDVJOFQO-NXEZZACHSA-N 1 2 243.301 2.741 20 0 BFADLO CC[C@@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000397802416 410933871 /nfs/dbraw/zinc/93/38/71/410933871.db2.gz LXWVJLGLOVQLDF-LLVKDONJSA-N 1 2 222.313 2.977 20 0 BFADLO c1cc2[nH+]ccc(NC3CC4(CCC4)C3)c2cn1 ZINC000651473364 411053534 /nfs/dbraw/zinc/05/35/34/411053534.db2.gz JPEGKQJWKNPZQS-UHFFFAOYSA-N 1 2 239.322 2.796 20 0 BFADLO FC1(F)C[C@]12CCN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000651487814 411066796 /nfs/dbraw/zinc/06/67/96/411066796.db2.gz HYFZXBBDNRNXLS-LBPRGKRZSA-N 1 2 249.264 2.798 20 0 BFADLO CCC[N@H+](Cc1noc(C)n1)Cc1ccccc1 ZINC000045915064 411150029 /nfs/dbraw/zinc/15/00/29/411150029.db2.gz LCCZWSFBMYGZAV-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO CCC[N@@H+](Cc1noc(C)n1)Cc1ccccc1 ZINC000045915064 411150030 /nfs/dbraw/zinc/15/00/30/411150030.db2.gz LCCZWSFBMYGZAV-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000652076093 411107732 /nfs/dbraw/zinc/10/77/32/411107732.db2.gz NGSBTWYHRMCNPR-GFCCVEGCSA-N 1 2 234.318 2.504 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000652076093 411107735 /nfs/dbraw/zinc/10/77/35/411107735.db2.gz NGSBTWYHRMCNPR-GFCCVEGCSA-N 1 2 234.318 2.504 20 0 BFADLO COc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1F ZINC000652076406 411109179 /nfs/dbraw/zinc/10/91/79/411109179.db2.gz BPOYLNRVALVVEE-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1cccc(C[N@H+]2CCC[C@H](F)C2)c1F ZINC000652076406 411109183 /nfs/dbraw/zinc/10/91/83/411109183.db2.gz BPOYLNRVALVVEE-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1F ZINC000652076405 411109641 /nfs/dbraw/zinc/10/96/41/411109641.db2.gz BPOYLNRVALVVEE-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cccc(C[N@H+]2CCC[C@@H](F)C2)c1F ZINC000652076405 411109644 /nfs/dbraw/zinc/10/96/44/411109644.db2.gz BPOYLNRVALVVEE-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCCC1(C)C ZINC000616927989 411115282 /nfs/dbraw/zinc/11/52/82/411115282.db2.gz VGDASHHAYMAYBM-LBPRGKRZSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCCC1(C)C ZINC000616927989 411115285 /nfs/dbraw/zinc/11/52/85/411115285.db2.gz VGDASHHAYMAYBM-LBPRGKRZSA-N 1 2 249.358 2.585 20 0 BFADLO CO[C@H](C[N@H+](CC(F)F)C(C)C)C1CCC1 ZINC000660018606 411177435 /nfs/dbraw/zinc/17/74/35/411177435.db2.gz VLVMPFVWLPQHMI-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@H](C[N@@H+](CC(F)F)C(C)C)C1CCC1 ZINC000660018606 411177438 /nfs/dbraw/zinc/17/74/38/411177438.db2.gz VLVMPFVWLPQHMI-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO Cc1c[nH+]cc(NC2CC(CF)(CF)C2)c1 ZINC000657952809 411180018 /nfs/dbraw/zinc/18/00/18/411180018.db2.gz NIPWEPLDHAKAQD-UHFFFAOYSA-N 1 2 226.270 2.890 20 0 BFADLO COc1c(C)[nH+]cnc1NC[C@@H]1CC=CCC1 ZINC000656112032 411181369 /nfs/dbraw/zinc/18/13/69/411181369.db2.gz ICDIEXPXZMGXQE-LLVKDONJSA-N 1 2 233.315 2.562 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2cc(C)no2)n1 ZINC000184212599 411182604 /nfs/dbraw/zinc/18/26/04/411182604.db2.gz UNYZIHNZCHNMET-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@@H]1CCCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656127063 411183365 /nfs/dbraw/zinc/18/33/65/411183365.db2.gz LKCZWVACQCODAX-GFCCVEGCSA-N 1 2 249.358 2.810 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCCC[C@@H](C)C1 ZINC000656163628 411190073 /nfs/dbraw/zinc/19/00/73/411190073.db2.gz CTTSSKYRYYRNQY-SNVBAGLBSA-N 1 2 219.332 2.720 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@H](C(C)(C)C)C1 ZINC000656158109 411190459 /nfs/dbraw/zinc/19/04/59/411190459.db2.gz FWLRFSNZGYVUJB-NSHDSACASA-N 1 2 249.358 2.666 20 0 BFADLO Cc1c[nH+]c(C)nc1NCC1(C(F)F)CC1 ZINC000656184640 411195673 /nfs/dbraw/zinc/19/56/73/411195673.db2.gz ZNDPBGMHINGMCR-UHFFFAOYSA-N 1 2 227.258 2.551 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCSCC1)C(F)(F)F ZINC000658013930 411197581 /nfs/dbraw/zinc/19/75/81/411197581.db2.gz QMRKFMPWQORQSY-SFYZADRCSA-N 1 2 227.295 2.813 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2cccnc2)c1 ZINC000652330304 411202177 /nfs/dbraw/zinc/20/21/77/411202177.db2.gz BZWPTBUYRRTABJ-NSHDSACASA-N 1 2 243.310 2.796 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2ccco2)c1 ZINC000652329732 411202348 /nfs/dbraw/zinc/20/23/48/411202348.db2.gz GEBKLRIFCWGJBT-SNVBAGLBSA-N 1 2 232.283 2.994 20 0 BFADLO COc1c(C)cccc1CNc1cc[nH+]c(C)n1 ZINC000656212463 411210809 /nfs/dbraw/zinc/21/08/09/411210809.db2.gz IJZUPYQULYYESI-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2c(C)cccc2C)n1 ZINC000653890658 411210958 /nfs/dbraw/zinc/21/09/58/411210958.db2.gz IEQLPLZLDKRVEU-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2c(C)cccc2C)n1 ZINC000653890658 411210960 /nfs/dbraw/zinc/21/09/60/411210960.db2.gz IEQLPLZLDKRVEU-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Nc1ccc(NC(=O)C2CCC3(CC3)CC2)c[nH+]1 ZINC000659293420 411214514 /nfs/dbraw/zinc/21/45/14/411214514.db2.gz DGODDMUEJPPLLO-UHFFFAOYSA-N 1 2 245.326 2.573 20 0 BFADLO Fc1ccccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656265947 411221516 /nfs/dbraw/zinc/22/15/16/411221516.db2.gz PGGYLTMHQIWEQF-UHFFFAOYSA-N 1 2 227.229 2.667 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1conc1C)C2 ZINC000656274643 411223582 /nfs/dbraw/zinc/22/35/82/411223582.db2.gz CZNPCMVXWDZZCB-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1conc1C)C2 ZINC000656274643 411223588 /nfs/dbraw/zinc/22/35/88/411223588.db2.gz CZNPCMVXWDZZCB-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cn(C)cn1)C1CC1 ZINC000660096668 411231005 /nfs/dbraw/zinc/23/10/05/411231005.db2.gz AAQBUXFMDWGQQX-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cn(C)cn1)C1CC1 ZINC000660096668 411231008 /nfs/dbraw/zinc/23/10/08/411231008.db2.gz AAQBUXFMDWGQQX-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CCCC1 ZINC000652411746 411234462 /nfs/dbraw/zinc/23/44/62/411234462.db2.gz MPYGMOOXFUQCQP-JTQLQIEISA-N 1 2 249.358 2.587 20 0 BFADLO COc1c(C)cc(-c2[nH+]ccn2C)cc1C ZINC000656371773 411237946 /nfs/dbraw/zinc/23/79/46/411237946.db2.gz TUEXYHONQLTNFC-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO C[C@H]1CC[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000652413691 411238934 /nfs/dbraw/zinc/23/89/34/411238934.db2.gz BWAXHTDLUAAORV-XYPYZODXSA-N 1 2 249.358 2.587 20 0 BFADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658151558 411266322 /nfs/dbraw/zinc/26/63/22/411266322.db2.gz JMXIWTXFCNTKRW-IONNQARKSA-N 1 2 236.344 2.586 20 0 BFADLO CC(=O)C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000062015616 411278322 /nfs/dbraw/zinc/27/83/22/411278322.db2.gz RSHDGYZDECZKMK-SNVBAGLBSA-N 1 2 225.719 2.922 20 0 BFADLO CC(=O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000062015616 411278325 /nfs/dbraw/zinc/27/83/25/411278325.db2.gz RSHDGYZDECZKMK-SNVBAGLBSA-N 1 2 225.719 2.922 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@H]2CCCCO2)c1 ZINC000653465624 411283767 /nfs/dbraw/zinc/28/37/67/411283767.db2.gz IDKXFCYWQSGBIA-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2coc(C)n2)cc1 ZINC000660177133 411283789 /nfs/dbraw/zinc/28/37/89/411283789.db2.gz FOWRBBBBJARCDX-JTQLQIEISA-N 1 2 246.310 2.842 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnc(C2CC2)o1 ZINC000653466285 411284688 /nfs/dbraw/zinc/28/46/88/411284688.db2.gz BRFFJGIVMOCSIH-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CCCCO2)c[nH+]1 ZINC000653466117 411284915 /nfs/dbraw/zinc/28/49/15/411284915.db2.gz YTVVWSORRPCHDN-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C[C@@H]1F ZINC000656531883 411289835 /nfs/dbraw/zinc/28/98/35/411289835.db2.gz NRZOSJDNCPJSDS-GWCFXTLKSA-N 1 2 249.333 2.534 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C[C@@H]1F ZINC000656531883 411289838 /nfs/dbraw/zinc/28/98/38/411289838.db2.gz NRZOSJDNCPJSDS-GWCFXTLKSA-N 1 2 249.333 2.534 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C[C@H]1F ZINC000656531884 411290260 /nfs/dbraw/zinc/29/02/60/411290260.db2.gz NRZOSJDNCPJSDS-GXFFZTMASA-N 1 2 249.333 2.534 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C[C@H]1F ZINC000656531884 411290263 /nfs/dbraw/zinc/29/02/63/411290263.db2.gz NRZOSJDNCPJSDS-GXFFZTMASA-N 1 2 249.333 2.534 20 0 BFADLO CC[C@H](C)[C@H](CNc1ccc(C)[nH+]c1)OC ZINC000653469453 411291146 /nfs/dbraw/zinc/29/11/46/411291146.db2.gz ZTROVCWILMDGFS-GWCFXTLKSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)CCC[C@H](C)O)c1 ZINC000354857274 411293044 /nfs/dbraw/zinc/29/30/44/411293044.db2.gz KCXOIPONRFKIBX-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc(C)c([N@H+](C)CCC[C@H](C)O)c1 ZINC000354857274 411293047 /nfs/dbraw/zinc/29/30/47/411293047.db2.gz KCXOIPONRFKIBX-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280139 411320618 /nfs/dbraw/zinc/32/06/18/411320618.db2.gz GLXRZCBCKSDROS-OIBJUYFYSA-N 1 2 243.301 2.660 20 0 BFADLO Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000655768967 411251424 /nfs/dbraw/zinc/25/14/24/411251424.db2.gz UDHFUOADPAYNMD-GXSJLCMTSA-N 1 2 241.285 2.623 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cccnc2)co1 ZINC000660138590 411254514 /nfs/dbraw/zinc/25/45/14/411254514.db2.gz XEXIHPYSHKSRBW-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2cccnc2)co1 ZINC000660138590 411254517 /nfs/dbraw/zinc/25/45/17/411254517.db2.gz XEXIHPYSHKSRBW-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO COCC1(C)C[NH+](Cc2cscc2Cl)C1 ZINC000656780102 411358844 /nfs/dbraw/zinc/35/88/44/411358844.db2.gz VIPVOEFZYUCNRD-UHFFFAOYSA-N 1 2 245.775 2.870 20 0 BFADLO Cc1cc[nH+]cc1NCc1c(C2CC2)cnn1C ZINC000656771289 411364714 /nfs/dbraw/zinc/36/47/14/411364714.db2.gz LNVBYBIIDIBWMD-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO CC1(CNc2ccc3ccccc3[nH+]2)COC1 ZINC000264925143 168048497 /nfs/dbraw/zinc/04/84/97/168048497.db2.gz UWCINCWPKIVKAI-UHFFFAOYSA-N 1 2 228.295 2.683 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)o1 ZINC000658335938 411343879 /nfs/dbraw/zinc/34/38/79/411343879.db2.gz JTMSWIDVUSNUHW-MNOVXSKESA-N 1 2 247.342 2.987 20 0 BFADLO C[C@H](NCC(F)(F)C(C)(C)C)c1[nH+]ccn1C ZINC000658337728 411345862 /nfs/dbraw/zinc/34/58/62/411345862.db2.gz VYYLQWBBIWJHFI-VIFPVBQESA-N 1 2 245.317 2.752 20 0 BFADLO CC1(CNc2[nH+]ccc3ccc(F)cc32)COC1 ZINC000336332886 168049804 /nfs/dbraw/zinc/04/98/04/168049804.db2.gz FTGWLRHPSYZPIA-UHFFFAOYSA-N 1 2 246.285 2.822 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nnc(C(C)C)o2)CC1 ZINC000280834703 168085300 /nfs/dbraw/zinc/08/53/00/168085300.db2.gz WHLXASVDZPZKKA-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nnc(C(C)C)o2)CC1 ZINC000280834703 168085302 /nfs/dbraw/zinc/08/53/02/168085302.db2.gz WHLXASVDZPZKKA-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000296623925 168100276 /nfs/dbraw/zinc/10/02/76/168100276.db2.gz BJCHWJACGNHKRJ-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO CC1=CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000296623925 168100278 /nfs/dbraw/zinc/10/02/78/168100278.db2.gz BJCHWJACGNHKRJ-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO CC1=CC[N@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000270475205 168114425 /nfs/dbraw/zinc/11/44/25/168114425.db2.gz CSEPNZJUFXEQEG-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CC[N@@H+](Cc2ncc(C3CC3)o2)CC1 ZINC000270475205 168114429 /nfs/dbraw/zinc/11/44/29/168114429.db2.gz CSEPNZJUFXEQEG-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CC[N@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000270365764 168116916 /nfs/dbraw/zinc/11/69/16/168116916.db2.gz SKHFEEIVTUCSGY-SNVBAGLBSA-N 1 2 233.315 2.660 20 0 BFADLO CC1=CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000270365764 168116919 /nfs/dbraw/zinc/11/69/19/168116919.db2.gz SKHFEEIVTUCSGY-SNVBAGLBSA-N 1 2 233.315 2.660 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336599609 168123744 /nfs/dbraw/zinc/12/37/44/168123744.db2.gz RWEGZJGYCULPOY-SNVBAGLBSA-N 1 2 249.358 2.765 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336599609 168123745 /nfs/dbraw/zinc/12/37/45/168123745.db2.gz RWEGZJGYCULPOY-SNVBAGLBSA-N 1 2 249.358 2.765 20 0 BFADLO CC1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC000338957447 168189673 /nfs/dbraw/zinc/18/96/73/168189673.db2.gz OXZSCUDBGWAXOA-UHFFFAOYSA-N 1 2 213.683 2.931 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC23CCC3)c[nH+]1 ZINC000654380217 411383136 /nfs/dbraw/zinc/38/31/36/411383136.db2.gz QIXHWQVSKVRUGO-ZDUSSCGKSA-N 1 2 244.338 2.505 20 0 BFADLO CCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132144273 168246663 /nfs/dbraw/zinc/24/66/63/168246663.db2.gz NFMBFIVVRDJNQQ-UHFFFAOYSA-N 1 2 222.288 2.607 20 0 BFADLO CCC(=O)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000269336807 168258822 /nfs/dbraw/zinc/25/88/22/168258822.db2.gz OBOCPGIMWCLGGF-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO CCC(C)(C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119828157 168293563 /nfs/dbraw/zinc/29/35/63/168293563.db2.gz LAKJAPAFJZIKFZ-UHFFFAOYSA-N 1 2 221.304 2.700 20 0 BFADLO CSc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000659812761 411460364 /nfs/dbraw/zinc/46/03/64/411460364.db2.gz SXPZUCNKIWEUSQ-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO CSc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000659812761 411460367 /nfs/dbraw/zinc/46/03/67/411460367.db2.gz SXPZUCNKIWEUSQ-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO Cn1c[nH+]c(CNc2ccc3c(c2)CCCC3)c1 ZINC000404646442 411403306 /nfs/dbraw/zinc/40/33/06/411403306.db2.gz OEGANSXZXIPPBU-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2cncs2)c1 ZINC000404686628 411404567 /nfs/dbraw/zinc/40/45/67/411404567.db2.gz GPYPACSNWUWNAV-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccco1 ZINC000271447664 411430696 /nfs/dbraw/zinc/43/06/96/411430696.db2.gz DADASVWLYMIRHN-ONGXEEELSA-N 1 2 231.299 2.731 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccco1 ZINC000271447663 411430806 /nfs/dbraw/zinc/43/08/06/411430806.db2.gz DADASVWLYMIRHN-MWLCHTKSSA-N 1 2 231.299 2.731 20 0 BFADLO CC[C@@H](COCc1[nH]cc[nH+]1)CC(F)F ZINC000657254607 411436065 /nfs/dbraw/zinc/43/60/65/411436065.db2.gz ABYPDHRETSWHGD-MRVPVSSYSA-N 1 2 218.247 2.608 20 0 BFADLO Fc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000655738638 411444384 /nfs/dbraw/zinc/44/43/84/411444384.db2.gz NTIOEDSRRDAFLX-LBPRGKRZSA-N 1 2 231.274 2.969 20 0 BFADLO COC(=O)[C@@H](c1ccsc1)[N@H+](C)CC(C)C ZINC000280191228 411451251 /nfs/dbraw/zinc/45/12/51/411451251.db2.gz ZXVDUZDQDYZGGA-LLVKDONJSA-N 1 2 241.356 2.550 20 0 BFADLO COC(=O)[C@@H](c1ccsc1)[N@@H+](C)CC(C)C ZINC000280191228 411451253 /nfs/dbraw/zinc/45/12/53/411451253.db2.gz ZXVDUZDQDYZGGA-LLVKDONJSA-N 1 2 241.356 2.550 20 0 BFADLO CC(C)n1cc(NCc2[nH+]ccn2C(C)C)cn1 ZINC000657343850 411469497 /nfs/dbraw/zinc/46/94/97/411469497.db2.gz AULREVFYNOVQLZ-UHFFFAOYSA-N 1 2 247.346 2.854 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](OC)C1CCC1 ZINC000659867420 411482401 /nfs/dbraw/zinc/48/24/01/411482401.db2.gz KMNVQFSEAXQHSU-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](OC)C1CCC1 ZINC000659867420 411482403 /nfs/dbraw/zinc/48/24/03/411482403.db2.gz KMNVQFSEAXQHSU-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@H+](CC(F)F)[C@@H]1COC(C)(C)C1 ZINC000659868961 411482488 /nfs/dbraw/zinc/48/24/88/411482488.db2.gz RXEBSYVAFSIVPU-VIFPVBQESA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)[C@@H]1COC(C)(C)C1 ZINC000659868961 411482491 /nfs/dbraw/zinc/48/24/91/411482491.db2.gz RXEBSYVAFSIVPU-VIFPVBQESA-N 1 2 221.291 2.531 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C)cc2F)[nH+]1 ZINC000657421309 411502826 /nfs/dbraw/zinc/50/28/26/411502826.db2.gz KYHDHOWPVPHLDZ-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000657432463 411505628 /nfs/dbraw/zinc/50/56/28/411505628.db2.gz ODBNHSJXZZRLCB-ZIAGYGMSSA-N 1 2 246.354 2.940 20 0 BFADLO CC(C)n1cc[nH+]c1CNC(C)(C)C(F)F ZINC000657453437 411514404 /nfs/dbraw/zinc/51/44/04/411514404.db2.gz YELZVKAZTCNQSB-UHFFFAOYSA-N 1 2 231.290 2.597 20 0 BFADLO COc1cc(C)cc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657451412 411517855 /nfs/dbraw/zinc/51/78/55/411517855.db2.gz SIMUPJCZMYQGSC-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO Cc1[nH]c(CN[C@@H](C)c2ccsc2)[nH+]c1C ZINC000657462907 411518531 /nfs/dbraw/zinc/51/85/31/411518531.db2.gz ZEMHWFISJLIIAZ-JTQLQIEISA-N 1 2 235.356 2.939 20 0 BFADLO CC[C@H](NCc1[nH+]ccn1C(C)C)C(F)F ZINC000657477343 411525876 /nfs/dbraw/zinc/52/58/76/411525876.db2.gz SMWOODXKDGIPNK-VIFPVBQESA-N 1 2 231.290 2.597 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C)o1 ZINC000660032860 411530211 /nfs/dbraw/zinc/53/02/11/411530211.db2.gz TUDNUOCADNHXTH-AWEZNQCLSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C)o1 ZINC000660032860 411530213 /nfs/dbraw/zinc/53/02/13/411530213.db2.gz TUDNUOCADNHXTH-AWEZNQCLSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)co1 ZINC000660032264 411530223 /nfs/dbraw/zinc/53/02/23/411530223.db2.gz CRMSRFRRLBLLKR-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)co1 ZINC000660032264 411530225 /nfs/dbraw/zinc/53/02/25/411530225.db2.gz CRMSRFRRLBLLKR-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185620073 170005522 /nfs/dbraw/zinc/00/55/22/170005522.db2.gz CBUFQHNYJOGSNS-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185620073 170005524 /nfs/dbraw/zinc/00/55/24/170005524.db2.gz CBUFQHNYJOGSNS-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccnc2)c(C)o1 ZINC000660174099 411551947 /nfs/dbraw/zinc/55/19/47/411551947.db2.gz KDKQKAPMXCSBSQ-VIFPVBQESA-N 1 2 231.299 2.537 20 0 BFADLO CCNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000050864220 170175456 /nfs/dbraw/zinc/17/54/56/170175456.db2.gz FYYUGPTYTBJWGT-UHFFFAOYSA-N 1 2 228.299 2.587 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1ccc(C)cc1C ZINC000258851861 170187692 /nfs/dbraw/zinc/18/76/92/170187692.db2.gz RYJCAHYIYFCKEE-UHFFFAOYSA-N 1 2 249.354 2.735 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1cccs1 ZINC000082757987 170251259 /nfs/dbraw/zinc/25/12/59/170251259.db2.gz IPNKCLARZZQCJR-NXEZZACHSA-N 1 2 241.356 2.740 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]C(C)C)c1cccc(C)c1C ZINC000043315412 170254773 /nfs/dbraw/zinc/25/47/73/170254773.db2.gz OKUOLMBBNSWVOZ-AWEZNQCLSA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000068946899 170255177 /nfs/dbraw/zinc/25/51/77/170255177.db2.gz UCVURMDYCCIGLQ-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000049368568 170268458 /nfs/dbraw/zinc/26/84/58/170268458.db2.gz RRRREDRZCIAUGP-STQMWFEESA-N 1 2 249.354 2.549 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000037975589 170277534 /nfs/dbraw/zinc/27/75/34/170277534.db2.gz UKJIVKPCDDRTGR-DGCLKSJQSA-N 1 2 235.327 2.679 20 0 BFADLO CCOCC(C)(C)CNc1cccc[nH+]1 ZINC000289142161 170352140 /nfs/dbraw/zinc/35/21/40/170352140.db2.gz SGIGWJVJKDNMEJ-UHFFFAOYSA-N 1 2 208.305 2.556 20 0 BFADLO CCOCCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011812 170375999 /nfs/dbraw/zinc/37/59/99/170375999.db2.gz FMZZZPNYKOAKLN-UHFFFAOYSA-N 1 2 247.338 2.631 20 0 BFADLO CCOCCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000058011812 170376002 /nfs/dbraw/zinc/37/60/02/170376002.db2.gz FMZZZPNYKOAKLN-UHFFFAOYSA-N 1 2 247.338 2.631 20 0 BFADLO CCOCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301563249 170383824 /nfs/dbraw/zinc/38/38/24/170383824.db2.gz UWXCVYUDLNCIKH-UHFFFAOYSA-N 1 2 237.347 2.613 20 0 BFADLO CCOCC[N@H+](C)Cc1cccc(O)c1Cl ZINC000293738291 170390245 /nfs/dbraw/zinc/39/02/45/170390245.db2.gz XABSNYJDTKHOOE-UHFFFAOYSA-N 1 2 243.734 2.514 20 0 BFADLO CCOCC[N@@H+](C)Cc1cccc(O)c1Cl ZINC000293738291 170390248 /nfs/dbraw/zinc/39/02/48/170390248.db2.gz XABSNYJDTKHOOE-UHFFFAOYSA-N 1 2 243.734 2.514 20 0 BFADLO C[N@H+](CCC1CCC1)Cc1noc(C2CC2)n1 ZINC000660812675 411641754 /nfs/dbraw/zinc/64/17/54/411641754.db2.gz PBVMCLBBKPUIIS-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@@H+](CCC1CCC1)Cc1noc(C2CC2)n1 ZINC000660812675 411641756 /nfs/dbraw/zinc/64/17/56/411641756.db2.gz PBVMCLBBKPUIIS-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)[C@H](C)C2 ZINC000657695787 411581130 /nfs/dbraw/zinc/58/11/30/411581130.db2.gz AVIQZONDQGNSNR-ABAIWWIYSA-N 1 2 241.338 2.741 20 0 BFADLO Cc1c[nH+]ccc1CCN1CC[C@@H]1C(F)(F)F ZINC000660569281 411601850 /nfs/dbraw/zinc/60/18/50/411601850.db2.gz DAGLQRYACIFIAZ-LLVKDONJSA-N 1 2 244.260 2.569 20 0 BFADLO C[C@H](c1ccc(F)cc1)N1CCn2c[nH+]cc2C1 ZINC000660578133 411603330 /nfs/dbraw/zinc/60/33/30/411603330.db2.gz KFOWQPLCTIMBSJ-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1coc(C)n1 ZINC000660614699 411607439 /nfs/dbraw/zinc/60/74/39/411607439.db2.gz ONLVOOLYAGYJNN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1coc(C)n1 ZINC000660614699 411607440 /nfs/dbraw/zinc/60/74/40/411607440.db2.gz ONLVOOLYAGYJNN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC[C@@H](C)[N@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000661107559 411710804 /nfs/dbraw/zinc/71/08/04/411710804.db2.gz RUMUHUCTIPVRCK-SNVBAGLBSA-N 1 2 239.363 2.988 20 0 BFADLO CC[C@@H](C)[N@@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000661107559 411710807 /nfs/dbraw/zinc/71/08/07/411710807.db2.gz RUMUHUCTIPVRCK-SNVBAGLBSA-N 1 2 239.363 2.988 20 0 BFADLO CC[C@H](C)[N@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000661107557 411711303 /nfs/dbraw/zinc/71/13/03/411711303.db2.gz RUMUHUCTIPVRCK-JTQLQIEISA-N 1 2 239.363 2.988 20 0 BFADLO CC[C@H](C)[N@@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000661107557 411711310 /nfs/dbraw/zinc/71/13/10/411711310.db2.gz RUMUHUCTIPVRCK-JTQLQIEISA-N 1 2 239.363 2.988 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC(F)(F)C1)C1CCCC1 ZINC000660914521 411671368 /nfs/dbraw/zinc/67/13/68/411671368.db2.gz ZYDXNPOENVDORQ-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC(F)(F)C1)C1CCCC1 ZINC000660914521 411671374 /nfs/dbraw/zinc/67/13/74/411671374.db2.gz ZYDXNPOENVDORQ-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000660930563 411681861 /nfs/dbraw/zinc/68/18/61/411681861.db2.gz MYIKCCPPECSUPN-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)o1 ZINC000660930563 411681867 /nfs/dbraw/zinc/68/18/67/411681867.db2.gz MYIKCCPPECSUPN-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)C1=CCCCC1 ZINC000660961728 411686647 /nfs/dbraw/zinc/68/66/47/411686647.db2.gz DSOFEIBFGWYPMP-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3ccc(C)cc3C2)o1 ZINC000661371242 411756850 /nfs/dbraw/zinc/75/68/50/411756850.db2.gz FVNRNVBZDZKVHC-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3ccc(C)cc3C2)o1 ZINC000661371242 411756853 /nfs/dbraw/zinc/75/68/53/411756853.db2.gz FVNRNVBZDZKVHC-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO O[C@@H]1CC[N@@H+]([C@H]2C=CCCCCC2)CC1(F)F ZINC000661407589 411771200 /nfs/dbraw/zinc/77/12/00/411771200.db2.gz NHZIHLBXXJBNJZ-NWDGAFQWSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@@H]1CC[N@H+]([C@H]2C=CCCCCC2)CC1(F)F ZINC000661407589 411771203 /nfs/dbraw/zinc/77/12/03/411771203.db2.gz NHZIHLBXXJBNJZ-NWDGAFQWSA-N 1 2 245.313 2.577 20 0 BFADLO Cc1nc(N(C)[C@@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000663678131 411721737 /nfs/dbraw/zinc/72/17/37/411721737.db2.gz JXDQEYWVXXHYAM-JTQLQIEISA-N 1 2 243.310 2.688 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000359925453 170686512 /nfs/dbraw/zinc/68/65/12/170686512.db2.gz MPNNPYIMPAIBSL-GHMZBOCLSA-N 1 2 235.331 2.509 20 0 BFADLO Cc1[nH+]c2cc(OCC3CC3)ccc2n1C ZINC000664046713 411827433 /nfs/dbraw/zinc/82/74/33/411827433.db2.gz NEVXHZYTTWCMPS-UHFFFAOYSA-N 1 2 216.284 2.671 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661688770 411833260 /nfs/dbraw/zinc/83/32/60/411833260.db2.gz IAEZKFCCQOTWIO-VHSXEESVSA-N 1 2 243.351 2.671 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661688770 411833264 /nfs/dbraw/zinc/83/32/64/411833264.db2.gz IAEZKFCCQOTWIO-VHSXEESVSA-N 1 2 243.351 2.671 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COc1ccnnc1 ZINC000664070072 411838770 /nfs/dbraw/zinc/83/87/70/411838770.db2.gz XVANLNMWNDIVCG-UHFFFAOYSA-N 1 2 243.310 2.882 20 0 BFADLO CCc1[nH+]c(C(C)C)ccc1Cn1cnc(C)n1 ZINC000664084425 411846576 /nfs/dbraw/zinc/84/65/76/411846576.db2.gz VMYYSZPPNQDEAD-UHFFFAOYSA-N 1 2 244.342 2.716 20 0 BFADLO CC[C@@H](C)CCNc1nc[nH+]c(N)c1Cl ZINC000664228041 411888883 /nfs/dbraw/zinc/88/88/83/411888883.db2.gz KOUGUVCGDWDMFQ-SSDOTTSWSA-N 1 2 228.727 2.560 20 0 BFADLO CC[C@@H](C)CCNc1[nH+]cnc(N)c1Cl ZINC000664228041 411888885 /nfs/dbraw/zinc/88/88/85/411888885.db2.gz KOUGUVCGDWDMFQ-SSDOTTSWSA-N 1 2 228.727 2.560 20 0 BFADLO CCO[C@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000664281126 411912495 /nfs/dbraw/zinc/91/24/95/411912495.db2.gz ZLOKLKKUQFBZFD-XYPYZODXSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1nc(N2CC[C@@H]2c2ccc(F)cc2)cc[nH+]1 ZINC000664290262 411913509 /nfs/dbraw/zinc/91/35/09/411913509.db2.gz FQOHVCRANANFHE-CYBMUJFWSA-N 1 2 243.285 2.876 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661973309 411929444 /nfs/dbraw/zinc/92/94/44/411929444.db2.gz SGDOOGQZCSHPPB-HTQZYQBOSA-N 1 2 228.748 2.638 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661973309 411929447 /nfs/dbraw/zinc/92/94/47/411929447.db2.gz SGDOOGQZCSHPPB-HTQZYQBOSA-N 1 2 228.748 2.638 20 0 BFADLO c1ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000664385007 411937017 /nfs/dbraw/zinc/93/70/17/411937017.db2.gz FWQTVKATCZRKTK-SDDRHHMPSA-N 1 2 202.301 2.930 20 0 BFADLO CCc1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC000664385270 411937066 /nfs/dbraw/zinc/93/70/66/411937066.db2.gz GXYALBDNTHNRRU-MDZLAQPJSA-N 1 2 231.343 2.887 20 0 BFADLO C[C@H]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000664393834 411940959 /nfs/dbraw/zinc/94/09/59/411940959.db2.gz IESFCNIFOXILEW-CMPLNLGQSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1cc(N[C@@H]2COC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000664144077 411871641 /nfs/dbraw/zinc/87/16/41/411871641.db2.gz GQDZDDDDHGTEFS-NSHDSACASA-N 1 2 247.342 2.642 20 0 BFADLO CC[C@@H](COCC1CC1)Nc1cccc[nH+]1 ZINC000664172410 411880234 /nfs/dbraw/zinc/88/02/34/411880234.db2.gz JIFWIBWAUNZYEY-LBPRGKRZSA-N 1 2 220.316 2.699 20 0 BFADLO c1csc(C[NH+]2CCC(c3ccon3)CC2)n1 ZINC000662048376 411965409 /nfs/dbraw/zinc/96/54/09/411965409.db2.gz VGOKIOYFMSEXRJ-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO CCc1cc(NC[C@@H]2C(C)(C)C2(F)F)nc[nH+]1 ZINC000664525506 411977280 /nfs/dbraw/zinc/97/72/80/411977280.db2.gz YYOBSPFJWWCAKE-SECBINFHSA-N 1 2 241.285 2.742 20 0 BFADLO CC1(C)C[C@@]1(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000664549101 411983206 /nfs/dbraw/zinc/98/32/06/411983206.db2.gz FTBPPGYRUNFONQ-CYBMUJFWSA-N 1 2 217.316 2.955 20 0 BFADLO CO[C@H](CNc1cccc[nH+]1)C1CCCC1 ZINC000664557625 411986074 /nfs/dbraw/zinc/98/60/74/411986074.db2.gz DRYSCRSALUVVJJ-GFCCVEGCSA-N 1 2 220.316 2.699 20 0 BFADLO Cc1cc(N2CCC[C@H](C3CCC3)C2)nc[nH+]1 ZINC000664565198 411987968 /nfs/dbraw/zinc/98/79/68/411987968.db2.gz ODXWCKRJLOBMSS-ZDUSSCGKSA-N 1 2 231.343 2.802 20 0 BFADLO FCC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664415708 411948591 /nfs/dbraw/zinc/94/85/91/411948591.db2.gz ZKRHHUZWDNWCKS-LLVKDONJSA-N 1 2 249.333 2.930 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000664436479 411955481 /nfs/dbraw/zinc/95/54/81/411955481.db2.gz HMNZDOZNKYUADQ-NSHDSACASA-N 1 2 217.316 2.955 20 0 BFADLO FC(F)(F)C[C@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000662232511 412031848 /nfs/dbraw/zinc/03/18/48/412031848.db2.gz YNCWHXYYEJJDTB-QWRGUYRKSA-N 1 2 249.276 2.748 20 0 BFADLO FC(F)(F)C[C@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000662232511 412031851 /nfs/dbraw/zinc/03/18/51/412031851.db2.gz YNCWHXYYEJJDTB-QWRGUYRKSA-N 1 2 249.276 2.748 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000662232512 412032172 /nfs/dbraw/zinc/03/21/72/412032172.db2.gz YNCWHXYYEJJDTB-WDEREUQCSA-N 1 2 249.276 2.748 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000662232512 412032177 /nfs/dbraw/zinc/03/21/77/412032177.db2.gz YNCWHXYYEJJDTB-WDEREUQCSA-N 1 2 249.276 2.748 20 0 BFADLO CCC1(c2nc(Cc3c[nH+]ccc3C)no2)CC1 ZINC000664981228 412055207 /nfs/dbraw/zinc/05/52/07/412055207.db2.gz XVHYDHXCIBICLQ-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CCC2CC2)n1 ZINC000664979739 412055430 /nfs/dbraw/zinc/05/54/30/412055430.db2.gz BBWLXJMCRZDHLU-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO Cc1csc(C[N@H+](C)CC2=CCSC2)n1 ZINC000662265574 412057800 /nfs/dbraw/zinc/05/78/00/412057800.db2.gz DCHYALLSYXBGJP-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO Cc1csc(C[N@@H+](C)CC2=CCSC2)n1 ZINC000662265574 412057802 /nfs/dbraw/zinc/05/78/02/412057802.db2.gz DCHYALLSYXBGJP-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO CC[C@@]([NH2+]CC(C)C)(C(=O)OC)c1ccccc1 ZINC000037965793 171194915 /nfs/dbraw/zinc/19/49/15/171194915.db2.gz LNLUSIATTNESOR-HNNXBMFYSA-N 1 2 249.354 2.711 20 0 BFADLO CC[C@H](C)CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283114030 171261106 /nfs/dbraw/zinc/26/11/06/171261106.db2.gz VVCNESPKYIXOQW-CMPLNLGQSA-N 1 2 237.347 2.659 20 0 BFADLO CC[C@H](C)CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179834907 171270320 /nfs/dbraw/zinc/27/03/20/171270320.db2.gz CHXFEQDLFQLYPY-JTQLQIEISA-N 1 2 235.331 2.900 20 0 BFADLO CC[C@H](C)C[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000088298863 171299395 /nfs/dbraw/zinc/29/93/95/171299395.db2.gz JAELUOKCZIIVMS-UWVGGRQHSA-N 1 2 247.346 2.600 20 0 BFADLO CC[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301803632 171349939 /nfs/dbraw/zinc/34/99/39/171349939.db2.gz ATIKTEVFVGKRAU-VIFPVBQESA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301803632 171349940 /nfs/dbraw/zinc/34/99/40/171349940.db2.gz ATIKTEVFVGKRAU-VIFPVBQESA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357519495 171358734 /nfs/dbraw/zinc/35/87/34/171358734.db2.gz OVTJPEJXNDXKQV-TUAOUCFPSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H](C)[C@@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000035044619 171375092 /nfs/dbraw/zinc/37/50/92/171375092.db2.gz ODZNFPUFCDFUKE-SMDDNHRTSA-N 1 2 249.354 2.672 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C3CCC3)C2)no1 ZINC000665286000 412232031 /nfs/dbraw/zinc/23/20/31/412232031.db2.gz CACLMIHQUNEILE-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H](C3CCC3)C2)no1 ZINC000665286000 412232037 /nfs/dbraw/zinc/23/20/37/412232037.db2.gz CACLMIHQUNEILE-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC[C@](C)([NH2+]Cc1cc(C)ccc1C)C(=O)OC ZINC000352866912 171698208 /nfs/dbraw/zinc/69/82/08/171698208.db2.gz HRWOTNAHKSTPRW-HNNXBMFYSA-N 1 2 249.354 2.735 20 0 BFADLO Cc1scc(C[NH2+]CC(F)F)c1C ZINC000132927690 412362967 /nfs/dbraw/zinc/36/29/67/412362967.db2.gz VQCSJWOTADHMFV-UHFFFAOYSA-N 1 2 205.273 2.720 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000357182971 171746229 /nfs/dbraw/zinc/74/62/29/171746229.db2.gz FVPMJDKTXDRHSK-DGCLKSJQSA-N 1 2 246.354 2.831 20 0 BFADLO CCc1nc(C)cc(Nc2ccc(NC)[nH+]c2)n1 ZINC000283771898 171965165 /nfs/dbraw/zinc/96/51/65/171965165.db2.gz OWULFFWHDSIOHH-UHFFFAOYSA-N 1 2 243.314 2.528 20 0 BFADLO CCc1[nH+]c2ccccc2n1[C@H](C)[C@@H](C)O ZINC000062807832 172014540 /nfs/dbraw/zinc/01/45/40/172014540.db2.gz AJSOHYWUTYJZHE-NXEZZACHSA-N 1 2 218.300 2.541 20 0 BFADLO CCc1nnc(C[NH2+]Cc2ccc(C)cc2)s1 ZINC000289810155 172052185 /nfs/dbraw/zinc/05/21/85/172052185.db2.gz MXRQTMKZUBYMGG-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](CC)c2ccccc2)o1 ZINC000341222206 172053804 /nfs/dbraw/zinc/05/38/04/172053804.db2.gz RGUCNBWCDUABAS-LBPRGKRZSA-N 1 2 245.326 2.873 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccoc2C)o1 ZINC000111684978 172063652 /nfs/dbraw/zinc/06/36/52/172063652.db2.gz YQHSUMOLIKTMMA-SECBINFHSA-N 1 2 249.314 2.726 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccoc2C)o1 ZINC000111684978 172063653 /nfs/dbraw/zinc/06/36/53/172063653.db2.gz YQHSUMOLIKTMMA-SECBINFHSA-N 1 2 249.314 2.726 20 0 BFADLO CCc1noc(C)c1C[N@H+](C)Cc1cccnc1 ZINC000132297973 172075039 /nfs/dbraw/zinc/07/50/39/172075039.db2.gz KMPLENMYTFNNHK-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000132297973 172075041 /nfs/dbraw/zinc/07/50/41/172075041.db2.gz KMPLENMYTFNNHK-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C)c1COc1cc[nH+]cc1 ZINC000292444852 172080503 /nfs/dbraw/zinc/08/05/03/172080503.db2.gz NAOQGAMCNQGEKM-UHFFFAOYSA-N 1 2 218.256 2.519 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccsc1 ZINC000295057132 172094556 /nfs/dbraw/zinc/09/45/56/172094556.db2.gz ZPEISJIJPJBEMR-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccsc1 ZINC000295057132 172094559 /nfs/dbraw/zinc/09/45/59/172094559.db2.gz ZPEISJIJPJBEMR-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1nocc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000293328879 172096764 /nfs/dbraw/zinc/09/67/64/172096764.db2.gz GLBSNQXPWAMSEB-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000293328879 172096767 /nfs/dbraw/zinc/09/67/67/172096767.db2.gz GLBSNQXPWAMSEB-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCn1cc([C@@H](C)Nc2ccc(C)[nH+]c2)cn1 ZINC000154262229 172194467 /nfs/dbraw/zinc/19/44/67/172194467.db2.gz NHJYZNMKFGPZBJ-LLVKDONJSA-N 1 2 230.315 2.780 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(Cl)cn1 ZINC000271948774 172224398 /nfs/dbraw/zinc/22/43/98/172224398.db2.gz QRAPSFPCQNDFEM-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CCn1nc(C)c(C[N@@H+]2CCC=C(F)C2)c1C ZINC000274520466 172244565 /nfs/dbraw/zinc/24/45/65/172244565.db2.gz YFRVAMWFAFUJEH-UHFFFAOYSA-N 1 2 237.322 2.579 20 0 BFADLO CCn1nc(C)c(C[N@H+]2CCC=C(F)C2)c1C ZINC000274520466 172244567 /nfs/dbraw/zinc/24/45/67/172244567.db2.gz YFRVAMWFAFUJEH-UHFFFAOYSA-N 1 2 237.322 2.579 20 0 BFADLO CCn1nccc1C[N@@H+]1CCc2sccc2C1 ZINC000124288534 172268630 /nfs/dbraw/zinc/26/86/30/172268630.db2.gz CDTKIXUUSNHVRK-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCn1nccc1C[N@H+]1CCc2sccc2C1 ZINC000124288534 172268632 /nfs/dbraw/zinc/26/86/32/172268632.db2.gz CDTKIXUUSNHVRK-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO COC(=O)C1([NH2+]CC=C(C)C)CCC(C)CC1 ZINC000357025033 173513998 /nfs/dbraw/zinc/51/39/98/173513998.db2.gz OGSQGGYZJPVPMJ-UHFFFAOYSA-N 1 2 239.359 2.664 20 0 BFADLO COCCC1(C(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000120884543 174151775 /nfs/dbraw/zinc/15/17/75/174151775.db2.gz QAULUUIKQIZRAD-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO COCCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354572813 174195619 /nfs/dbraw/zinc/19/56/19/174195619.db2.gz SOTMPIGFYSOOAQ-UHFFFAOYSA-N 1 2 248.301 2.634 20 0 BFADLO COCCCC[NH2+]c1ccc(OC)cc1 ZINC000158925106 174204488 /nfs/dbraw/zinc/20/44/88/174204488.db2.gz BHGHGDZDRITZFS-UHFFFAOYSA-N 1 2 209.289 2.534 20 0 BFADLO COCC[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000182849696 174386199 /nfs/dbraw/zinc/38/61/99/174386199.db2.gz LUBZUAKFOHOOJU-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000182849696 174386201 /nfs/dbraw/zinc/38/62/01/174386201.db2.gz LUBZUAKFOHOOJU-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000088549586 174386653 /nfs/dbraw/zinc/38/66/53/174386653.db2.gz IALKMHNRNNSMCP-LLVKDONJSA-N 1 2 235.327 2.849 20 0 BFADLO COC[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000134493069 174553163 /nfs/dbraw/zinc/55/31/63/174553163.db2.gz FBCYMTCVIUBRAF-NSHDSACASA-N 1 2 222.332 2.508 20 0 BFADLO COc1ccc(-c2c[nH+]c(N)c(C)c2)cc1OC ZINC000082730067 175036350 /nfs/dbraw/zinc/03/63/50/175036350.db2.gz FPFQOJFXLBGVKQ-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO COc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000336685989 175105142 /nfs/dbraw/zinc/10/51/42/175105142.db2.gz IRLKESMTVOQAPD-UHFFFAOYSA-N 1 2 227.254 2.583 20 0 BFADLO COc1ccc(F)cc1CNc1cc(C)[nH+]cn1 ZINC000302497949 175130178 /nfs/dbraw/zinc/13/01/78/175130178.db2.gz KSDAGKCJIYKJLZ-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO COc1ccc([NH2+]CC2CCOCC2)c(C)c1 ZINC000061566738 175150981 /nfs/dbraw/zinc/15/09/81/175150981.db2.gz IQCANTTVKYYKBL-UHFFFAOYSA-N 1 2 235.327 2.842 20 0 BFADLO COc1ccc([NH2+]CCCCCCO)c(C)c1 ZINC000132642190 175151121 /nfs/dbraw/zinc/15/11/21/175151121.db2.gz AAUOKFVXQVKPGM-UHFFFAOYSA-N 1 2 237.343 2.968 20 0 BFADLO COc1ccc([NH2+]C[C@H]2CCSC2)cc1 ZINC000224290395 175151582 /nfs/dbraw/zinc/15/15/82/175151582.db2.gz HNNNZABMKYSFEY-SNVBAGLBSA-N 1 2 223.341 2.860 20 0 BFADLO COc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000070361611 175155820 /nfs/dbraw/zinc/15/58/20/175155820.db2.gz MUEHWSUBBLZOGN-RYUDHWBXSA-N 1 2 235.327 2.983 20 0 BFADLO COc1ccc(Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000301056318 175156236 /nfs/dbraw/zinc/15/62/36/175156236.db2.gz AEAYBNBVDCYZPX-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1ccc2[nH+]c(NC[C@H](C)OC)ccc2c1 ZINC000302690148 175228505 /nfs/dbraw/zinc/22/85/05/175228505.db2.gz VBKBIFXEEBDGNZ-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO COc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC000082730034 175235454 /nfs/dbraw/zinc/23/54/54/175235454.db2.gz ANAQUGOHWHUARD-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000336662155 175263786 /nfs/dbraw/zinc/26/37/86/175263786.db2.gz DACDCRXJFLQLDS-UHFFFAOYSA-N 1 2 227.254 2.583 20 0 BFADLO COc1cccc(Cl)c1C[NH2+][C@@H](C)CF ZINC000309085472 175273547 /nfs/dbraw/zinc/27/35/47/175273547.db2.gz WXHLFOOWCACCCZ-QMMMGPOBSA-N 1 2 231.698 2.796 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)on2)c1 ZINC000044692295 175287049 /nfs/dbraw/zinc/28/70/49/175287049.db2.gz VPKGYJZPBFECRO-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1cccc2c(NCCF)cc[nH+]c12 ZINC000280489880 175300177 /nfs/dbraw/zinc/30/01/77/175300177.db2.gz BBLDBLOSOXVILQ-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000223592901 175346301 /nfs/dbraw/zinc/34/63/01/175346301.db2.gz RUCLQRAQACWOJA-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1n[nH]cc1C ZINC000290077349 175351752 /nfs/dbraw/zinc/35/17/52/175351752.db2.gz YSIKIXIBMGONRE-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO COc1cc[nH+]cc1COC(=O)CCC(C)C ZINC000288846666 175373178 /nfs/dbraw/zinc/37/31/78/175373178.db2.gz WPHOMUZLMSXTGB-UHFFFAOYSA-N 1 2 237.299 2.570 20 0 BFADLO COc1cc[nH+]cc1CSCC(C)C ZINC000286784035 175373491 /nfs/dbraw/zinc/37/34/91/175373491.db2.gz ZDQUQTLERXAOSH-UHFFFAOYSA-N 1 2 211.330 2.979 20 0 BFADLO COc1cc[nH+]cc1NCc1ccc(C)o1 ZINC000119149375 175376203 /nfs/dbraw/zinc/37/62/03/175376203.db2.gz TWLDVCFTMLIROD-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000185778991 175376216 /nfs/dbraw/zinc/37/62/16/175376216.db2.gz LKBPKHBHVBLQBY-QMTHXVAHSA-N 1 2 248.326 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000336238164 175376289 /nfs/dbraw/zinc/37/62/89/175376289.db2.gz ZFOUWPPNBQYPAH-IINYFYTJSA-N 1 2 248.326 2.855 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000288421312 175694568 /nfs/dbraw/zinc/69/45/68/175694568.db2.gz JWIXURJVVDMLMJ-QMMMGPOBSA-N 1 2 230.352 2.888 20 0 BFADLO C[C@@H](Nc1cc(N[C@H](C)C2CC2)[nH+]cn1)C1CC1 ZINC000121240459 175929664 /nfs/dbraw/zinc/92/96/64/175929664.db2.gz SYSJKMSKMMEGRH-NXEZZACHSA-N 1 2 246.358 2.897 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000049693870 176018521 /nfs/dbraw/zinc/01/85/21/176018521.db2.gz GNHINBPWBJPMRQ-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000049693870 176018524 /nfs/dbraw/zinc/01/85/24/176018524.db2.gz GNHINBPWBJPMRQ-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1ccn(C)n1)C1CC1 ZINC000271134087 176032796 /nfs/dbraw/zinc/03/27/96/176032796.db2.gz LPYKUHJXHUHLFB-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1ccn(C)n1)C1CC1 ZINC000271134087 176032797 /nfs/dbraw/zinc/03/27/97/176032797.db2.gz LPYKUHJXHUHLFB-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1cc[nH]n1 ZINC000157867183 176033462 /nfs/dbraw/zinc/03/34/62/176033462.db2.gz CXKRLEHMOSQGEL-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc[nH]n1 ZINC000157867183 176033463 /nfs/dbraw/zinc/03/34/63/176033463.db2.gz CXKRLEHMOSQGEL-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1cscn1 ZINC000171920902 176035147 /nfs/dbraw/zinc/03/51/47/176035147.db2.gz HBDDEKSZLWVQJN-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cscn1 ZINC000171920902 176035148 /nfs/dbraw/zinc/03/51/48/176035148.db2.gz HBDDEKSZLWVQJN-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H]1CCC[C@@H]1[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336919161 176128851 /nfs/dbraw/zinc/12/88/51/176128851.db2.gz FBLJFFBDGUZMDO-KOLCDFICSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CCC[C@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000235382968 176146404 /nfs/dbraw/zinc/14/64/04/176146404.db2.gz SLMYIRKQRIQRTL-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCC[C@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000235382968 176146405 /nfs/dbraw/zinc/14/64/05/176146405.db2.gz SLMYIRKQRIQRTL-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1noc(C(C)(C)C)n1 ZINC000123414764 176200429 /nfs/dbraw/zinc/20/04/29/176200429.db2.gz SCTXLFXDQLNPSD-NXEZZACHSA-N 1 2 237.347 2.740 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000337411143 176203198 /nfs/dbraw/zinc/20/31/98/176203198.db2.gz OXMMRZSBDALBJA-OUAUKWLOSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000337411143 176203201 /nfs/dbraw/zinc/20/32/01/176203201.db2.gz OXMMRZSBDALBJA-OUAUKWLOSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)[C@H](C)CO1 ZINC000092017093 176301177 /nfs/dbraw/zinc/30/11/77/176301177.db2.gz QTHRLQCPPLPHCT-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)[C@H](C)CO1 ZINC000092017093 176301179 /nfs/dbraw/zinc/30/11/79/176301179.db2.gz QTHRLQCPPLPHCT-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000251646588 176316370 /nfs/dbraw/zinc/31/63/70/176316370.db2.gz GELWZRFEYYAPCB-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000251646588 176316372 /nfs/dbraw/zinc/31/63/72/176316372.db2.gz GELWZRFEYYAPCB-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1C ZINC000267961161 176320340 /nfs/dbraw/zinc/32/03/40/176320340.db2.gz LCEDETCNWLNNNK-PHIMTYICSA-N 1 2 227.311 2.722 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(F)cc1F ZINC000177670320 176351231 /nfs/dbraw/zinc/35/12/31/176351231.db2.gz MGZUYPBSABHRSL-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccc(F)cc1F ZINC000177670320 176351233 /nfs/dbraw/zinc/35/12/33/176351233.db2.gz MGZUYPBSABHRSL-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2cc[nH+]c3ccncc32)C1 ZINC000336363868 176364071 /nfs/dbraw/zinc/36/40/71/176364071.db2.gz YBSZZQGCIGNNQG-GHMZBOCLSA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1Cl ZINC000054763518 176872695 /nfs/dbraw/zinc/87/26/95/176872695.db2.gz QEKVUABCMMQRBN-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccco1 ZINC000309022300 176914427 /nfs/dbraw/zinc/91/44/27/176914427.db2.gz XXHDLJQNTGPPHT-DTWKUNHWSA-N 1 2 206.245 2.679 20 0 BFADLO Cc1ccc(NC(=O)NC[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000674857016 487636053 /nfs/dbraw/zinc/63/60/53/487636053.db2.gz NDJSNRQNHWJTST-SECBINFHSA-N 1 2 247.342 2.866 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000179802270 177034245 /nfs/dbraw/zinc/03/42/45/177034245.db2.gz KUHYRWZYEQZEIQ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000179802270 177034247 /nfs/dbraw/zinc/03/42/47/177034247.db2.gz KUHYRWZYEQZEIQ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c[nH]cn1 ZINC000179802270 177034249 /nfs/dbraw/zinc/03/42/49/177034249.db2.gz KUHYRWZYEQZEIQ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c[nH]cn1 ZINC000179802270 177034251 /nfs/dbraw/zinc/03/42/51/177034251.db2.gz KUHYRWZYEQZEIQ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccnc1)[N@H+](C)Cc1nccs1 ZINC000175083083 177044662 /nfs/dbraw/zinc/04/46/62/177044662.db2.gz SCESWTYINQOXEU-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1nccs1 ZINC000175083083 177044663 /nfs/dbraw/zinc/04/46/63/177044663.db2.gz SCESWTYINQOXEU-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cncn1C)C1CC1 ZINC000119186675 177049290 /nfs/dbraw/zinc/04/92/90/177049290.db2.gz GKNUWPKUFMHFDO-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cncn1C)C1CC1 ZINC000119186675 177049292 /nfs/dbraw/zinc/04/92/92/177049292.db2.gz GKNUWPKUFMHFDO-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)N(Cc1[nH+]ccn1C)C1CC1 ZINC000086234568 177049390 /nfs/dbraw/zinc/04/93/90/177049390.db2.gz NQOXRRNJTBGAMJ-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](F)C1 ZINC000336263122 177054209 /nfs/dbraw/zinc/05/42/09/177054209.db2.gz SLIMDCZXCIKHBB-NXEZZACHSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](F)C1 ZINC000336263122 177054211 /nfs/dbraw/zinc/05/42/11/177054211.db2.gz SLIMDCZXCIKHBB-NXEZZACHSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000334143890 177070213 /nfs/dbraw/zinc/07/02/13/177070213.db2.gz VWOYSQFITVCKQA-JTQLQIEISA-N 1 2 235.331 2.712 20 0 BFADLO C[C@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000334143890 177070214 /nfs/dbraw/zinc/07/02/14/177070214.db2.gz VWOYSQFITVCKQA-JTQLQIEISA-N 1 2 235.331 2.712 20 0 BFADLO C[C@H]1CCCC[C@H]1Oc1cc(N)cc[nH+]1 ZINC000043569478 177090342 /nfs/dbraw/zinc/09/03/42/177090342.db2.gz CVKLXUBMDKFCEN-GXSJLCMTSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000135007371 177112775 /nfs/dbraw/zinc/11/27/75/177112775.db2.gz GRLUPYICJOLJRN-VIFPVBQESA-N 1 2 201.273 2.552 20 0 BFADLO C[C@H]1CCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000359931209 177123828 /nfs/dbraw/zinc/12/38/28/177123828.db2.gz IZODPXYQEXZXLK-CMPLNLGQSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@H]1CCC[C@H](C)C1[NH2+]CC(F)(F)F ZINC000019807470 177129871 /nfs/dbraw/zinc/12/98/71/177129871.db2.gz AKUVLVWHWDWSNY-YUMQZZPRSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@H]1CC[C@@H](CSc2[nH+]cc3ccccn32)O1 ZINC000189987757 177190352 /nfs/dbraw/zinc/19/03/52/177190352.db2.gz FSBQICQYBVTSMC-JQWIXIFHSA-N 1 2 248.351 2.994 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302864734 177194122 /nfs/dbraw/zinc/19/41/22/177194122.db2.gz XPSKIWOVOWIEOW-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302864734 177194123 /nfs/dbraw/zinc/19/41/23/177194123.db2.gz XPSKIWOVOWIEOW-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CC[C@H]([NH+]=c2[nH]c3c(cccc3F)n2C)C1 ZINC000355680677 177204236 /nfs/dbraw/zinc/20/42/36/177204236.db2.gz YKATULIWZWPGPK-UWVGGRQHSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302864739 177205115 /nfs/dbraw/zinc/20/51/15/177205115.db2.gz XPSKIWOVOWIEOW-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302864739 177205116 /nfs/dbraw/zinc/20/51/16/177205116.db2.gz XPSKIWOVOWIEOW-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1C[N@H+](CCSc2ccccc2)CCC1=O ZINC000168897627 177254122 /nfs/dbraw/zinc/25/41/22/177254122.db2.gz KNOSTBCWTVSTKP-LBPRGKRZSA-N 1 2 249.379 2.690 20 0 BFADLO C[C@H]1C[N@@H+](CCSc2ccccc2)CCC1=O ZINC000168897627 177254124 /nfs/dbraw/zinc/25/41/24/177254124.db2.gz KNOSTBCWTVSTKP-LBPRGKRZSA-N 1 2 249.379 2.690 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194319151 177260124 /nfs/dbraw/zinc/26/01/24/177260124.db2.gz CUKPXLWUYHJWDJ-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194319151 177260125 /nfs/dbraw/zinc/26/01/25/177260125.db2.gz CUKPXLWUYHJWDJ-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1C[N@H+](Cc2sccc2Cl)CCO1 ZINC000194319124 177271482 /nfs/dbraw/zinc/27/14/82/177271482.db2.gz ANRBVWYENFEXHF-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1C[N@@H+](Cc2sccc2Cl)CCO1 ZINC000194319124 177271483 /nfs/dbraw/zinc/27/14/83/177271483.db2.gz ANRBVWYENFEXHF-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1C[N@H+](Cc2nccn2C)[C@@H]1c1ccccc1 ZINC000177824474 177271696 /nfs/dbraw/zinc/27/16/96/177271696.db2.gz MYDILECQDAXNGG-WFASDCNBSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nccn2C)[C@@H]1c1ccccc1 ZINC000177824474 177271698 /nfs/dbraw/zinc/27/16/98/177271698.db2.gz MYDILECQDAXNGG-WFASDCNBSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC000267097140 177277376 /nfs/dbraw/zinc/27/73/76/177277376.db2.gz VZRKKEBZGFCUFG-SNVBAGLBSA-N 1 2 231.343 2.979 20 0 BFADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1C ZINC000270558748 177278083 /nfs/dbraw/zinc/27/80/83/177278083.db2.gz IUZQSNFPPZNTIO-QWRGUYRKSA-N 1 2 229.327 2.666 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)S1 ZINC000301885961 177278223 /nfs/dbraw/zinc/27/82/23/177278223.db2.gz OWWWXXWQYUPXHT-AOOOYVTPSA-N 1 2 247.367 2.893 20 0 BFADLO C[C@H]1CSCCN1c1[nH+]c2ccccc2n1C ZINC000179299598 177305303 /nfs/dbraw/zinc/30/53/03/177305303.db2.gz OINQTXDXSVDXII-JTQLQIEISA-N 1 2 247.367 2.515 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336559117 177320332 /nfs/dbraw/zinc/32/03/32/177320332.db2.gz QROSCAPICITVFP-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000336559117 177320334 /nfs/dbraw/zinc/32/03/34/177320334.db2.gz QROSCAPICITVFP-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000179864932 177351446 /nfs/dbraw/zinc/35/14/46/177351446.db2.gz MNVMUFSYDQLLSX-LOWVWBTDSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000179864932 177351450 /nfs/dbraw/zinc/35/14/50/177351450.db2.gz MNVMUFSYDQLLSX-LOWVWBTDSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H](C)N(c2cc[nH+]c3ccncc32)C1 ZINC000336363870 177359826 /nfs/dbraw/zinc/35/98/26/177359826.db2.gz YBSZZQGCIGNNQG-QWRGUYRKSA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]1C[C@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000310337058 177369882 /nfs/dbraw/zinc/36/98/82/177369882.db2.gz LNVNHMIIYDCJRL-HZMBPMFUSA-N 1 2 227.311 2.748 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC000178591209 177398734 /nfs/dbraw/zinc/39/87/34/177398734.db2.gz CNVBHGGHOAGPAV-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cc(F)ccc2F)[C@@H]1C ZINC000178591209 177398736 /nfs/dbraw/zinc/39/87/36/177398736.db2.gz CNVBHGGHOAGPAV-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1COCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000683353213 487642467 /nfs/dbraw/zinc/64/24/67/487642467.db2.gz DDIQMVJLNBWCHJ-WDEREUQCSA-N 1 2 249.358 2.611 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000488321936 225370659 /nfs/dbraw/zinc/37/06/59/225370659.db2.gz QKBYKMFTOFTSKX-RYUDHWBXSA-N 1 2 227.311 2.940 20 0 BFADLO C[C@H]1C[C@@H]1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000488442523 225398434 /nfs/dbraw/zinc/39/84/34/225398434.db2.gz NERNKFRZOYRSNG-QWHCGFSZSA-N 1 2 245.370 2.562 20 0 BFADLO Cc1cccc(F)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812707 226058254 /nfs/dbraw/zinc/05/82/54/226058254.db2.gz NLHNKGBPIIJRIN-WAYWQWQTSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCCCCC1 ZINC000493166341 226144665 /nfs/dbraw/zinc/14/46/65/226144665.db2.gz YHFPOLLMTOBPBA-FPLPWBNLSA-N 1 2 247.342 2.510 20 0 BFADLO CC(C)(C)OCCC[N@H+](CC(F)F)C1CC1 ZINC000674906690 487648896 /nfs/dbraw/zinc/64/88/96/487648896.db2.gz HWHSDRQJXSEKLX-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)(C)OCCC[N@@H+](CC(F)F)C1CC1 ZINC000674906690 487648900 /nfs/dbraw/zinc/64/89/00/487648900.db2.gz HWHSDRQJXSEKLX-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(Cl)cc1 ZINC000493621340 226246582 /nfs/dbraw/zinc/24/65/82/226246582.db2.gz XYUVOCNQTAPYBJ-AATRIKPKSA-N 1 2 247.685 2.715 20 0 BFADLO C[C@H]([NH2+][C@H](c1ncn[nH]1)C1CCCCC1)C1CC1 ZINC000494879121 226270800 /nfs/dbraw/zinc/27/08/00/226270800.db2.gz QKDLLNQXHPGTIT-GWCFXTLKSA-N 1 2 248.374 2.814 20 0 BFADLO CCc1cc(NCc2ccc(C)c(C)n2)nc[nH+]1 ZINC000313942058 487653864 /nfs/dbraw/zinc/65/38/64/487653864.db2.gz OOTLEONYSXFKGU-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO COc1cccc([C@@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000228505592 487667466 /nfs/dbraw/zinc/66/74/66/487667466.db2.gz UFSQHUHHDGSUGX-RKDXNWHRSA-N 1 2 229.270 2.999 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(F)F ZINC000228510332 487668802 /nfs/dbraw/zinc/66/88/02/487668802.db2.gz HLWQLQAWQWOOSD-LURJTMIESA-N 1 2 221.197 2.708 20 0 BFADLO COCC1(CNc2ccc(C)[nH+]c2)CCC1 ZINC000653470199 487675369 /nfs/dbraw/zinc/67/53/69/487675369.db2.gz XJLKJJLBBOHHDV-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO CC1(C)CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000087658758 487675743 /nfs/dbraw/zinc/67/57/43/487675743.db2.gz STFPCHWNZLWQCN-UHFFFAOYSA-N 1 2 234.343 2.590 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1csc(C)c1 ZINC000671678618 487685638 /nfs/dbraw/zinc/68/56/38/487685638.db2.gz KVPSIOZUXXPMIL-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C)C(F)(F)C1 ZINC000527988897 262898963 /nfs/dbraw/zinc/89/89/63/262898963.db2.gz ZGRLFPTZQVJQEE-VIFPVBQESA-N 1 2 242.269 2.572 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1[C@H]1C=CCCC1 ZINC000671715170 487704132 /nfs/dbraw/zinc/70/41/32/487704132.db2.gz QXCGGRFPJNTXTD-VWYCJHECSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1[C@H]1C=CCCC1 ZINC000671715170 487704137 /nfs/dbraw/zinc/70/41/37/487704137.db2.gz QXCGGRFPJNTXTD-VWYCJHECSA-N 1 2 249.276 2.747 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2ccc[nH]2)c1F ZINC000669709060 487712656 /nfs/dbraw/zinc/71/26/56/487712656.db2.gz RFATXWHBKXARFT-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2ccc[nH]2)c1F ZINC000669709060 487712659 /nfs/dbraw/zinc/71/26/59/487712659.db2.gz RFATXWHBKXARFT-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000668419892 487722075 /nfs/dbraw/zinc/72/20/75/487722075.db2.gz PJLAKNOFRPDNCO-OAHLLOKOSA-N 1 2 244.338 2.887 20 0 BFADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)C1CCC1 ZINC000665708936 487736497 /nfs/dbraw/zinc/73/64/97/487736497.db2.gz HSSOVWMHELVFHF-VIFPVBQESA-N 1 2 232.331 2.651 20 0 BFADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)C1CCC1 ZINC000665708936 487736503 /nfs/dbraw/zinc/73/65/03/487736503.db2.gz HSSOVWMHELVFHF-VIFPVBQESA-N 1 2 232.331 2.651 20 0 BFADLO C/C=C/C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000681152540 487737679 /nfs/dbraw/zinc/73/76/79/487737679.db2.gz JSYUOYRBOGQASB-MVIFTORASA-N 1 2 249.358 2.513 20 0 BFADLO FC1(F)CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000675638853 487757489 /nfs/dbraw/zinc/75/74/89/487757489.db2.gz LBOXJZCBRWZVCR-SECBINFHSA-N 1 2 249.264 2.651 20 0 BFADLO CC1(C)C[C@@H](Nc2c[nH+]cc3c2CCCC3)CO1 ZINC000668442108 487760212 /nfs/dbraw/zinc/76/02/12/487760212.db2.gz YNMIVUFSHAKLFN-GFCCVEGCSA-N 1 2 246.354 2.940 20 0 BFADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681273314 487766516 /nfs/dbraw/zinc/76/65/16/487766516.db2.gz JNWCPCKETGQVBR-NWDGAFQWSA-N 1 2 243.310 2.565 20 0 BFADLO CC1=CC[C@@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000668448237 487770437 /nfs/dbraw/zinc/77/04/37/487770437.db2.gz MIUHQDVDUSWUPF-CQSZACIVSA-N 1 2 247.342 2.505 20 0 BFADLO COc1ccc(N[C@@H]2CCC23CCC3)[nH+]c1 ZINC000309860672 487771168 /nfs/dbraw/zinc/77/11/68/487771168.db2.gz MIQRVLLVQNLNKU-LLVKDONJSA-N 1 2 218.300 2.835 20 0 BFADLO Fc1cccc(C[NH+]2CC3(CC3)C2)c1F ZINC000334743836 487774485 /nfs/dbraw/zinc/77/44/85/487774485.db2.gz WNFMIIBOTQJTBE-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C[C@H]1F ZINC000679219382 487782762 /nfs/dbraw/zinc/78/27/62/487782762.db2.gz CPYUAAYULWIUIU-DGCLKSJQSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C[C@H]1F ZINC000679219382 487782766 /nfs/dbraw/zinc/78/27/66/487782766.db2.gz CPYUAAYULWIUIU-DGCLKSJQSA-N 1 2 247.317 2.514 20 0 BFADLO Cc1ccc(NC(=O)NCC2=CCCC2)c(C)[nH+]1 ZINC000666314438 487784171 /nfs/dbraw/zinc/78/41/71/487784171.db2.gz HARFWIWYHSADJS-UHFFFAOYSA-N 1 2 245.326 2.930 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC000666314298 487784571 /nfs/dbraw/zinc/78/45/71/487784571.db2.gz FWPRDYIZJVSOHT-VXGBXAGGSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1F ZINC000679223760 487786450 /nfs/dbraw/zinc/78/64/50/487786450.db2.gz MTFDMFMPRVXXBD-YPMHNXCESA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1F ZINC000679223760 487786454 /nfs/dbraw/zinc/78/64/54/487786454.db2.gz MTFDMFMPRVXXBD-YPMHNXCESA-N 1 2 247.317 2.514 20 0 BFADLO CC[C@H]1CCC[C@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000340573763 487794865 /nfs/dbraw/zinc/79/48/65/487794865.db2.gz FUMAXOXFJOFUQB-STQMWFEESA-N 1 2 248.370 2.624 20 0 BFADLO Cc1cncc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000681563744 487816541 /nfs/dbraw/zinc/81/65/41/487816541.db2.gz ZOVURSSZJXZDOS-CYBMUJFWSA-N 1 2 242.326 2.687 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCCC1CCC1 ZINC000666492176 487820243 /nfs/dbraw/zinc/82/02/43/487820243.db2.gz AJKBPUSVHBEMOT-UHFFFAOYSA-N 1 2 247.342 2.514 20 0 BFADLO Cc1cc(NC(=O)NCCCC2CCC2)cc[nH+]1 ZINC000666490314 487820323 /nfs/dbraw/zinc/82/03/23/487820323.db2.gz OJIFLRAXGVVVEU-UHFFFAOYSA-N 1 2 247.342 2.514 20 0 BFADLO CCCCCC[N@H+]1CCOCC(F)(F)C1 ZINC000808783838 586490449 /nfs/dbraw/zinc/49/04/49/586490449.db2.gz JKKULVWNAAUBSB-UHFFFAOYSA-N 1 2 221.291 2.534 20 0 BFADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CC2 ZINC000558088147 322945953 /nfs/dbraw/zinc/94/59/53/322945953.db2.gz SFZZOHFARMFTQV-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO C[C@H]1CCN(Cc2[nH+]ccn2C)c2ccccc21 ZINC000076292482 487834895 /nfs/dbraw/zinc/83/48/95/487834895.db2.gz UFRZDVLDCFVXON-LBPRGKRZSA-N 1 2 241.338 2.934 20 0 BFADLO Cc1cnc([C@H](C)Nc2cc[nH+]c(C3CC3)n2)o1 ZINC000679282230 487862389 /nfs/dbraw/zinc/86/23/89/487862389.db2.gz MBEJVOMSLMFCFU-VIFPVBQESA-N 1 2 244.298 2.824 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(C3(C)CC3)no2)c1 ZINC000351174194 487865092 /nfs/dbraw/zinc/86/50/92/487865092.db2.gz LNPWCTGWDCOXRS-UHFFFAOYSA-N 1 2 243.310 2.610 20 0 BFADLO CC1CCC(C[N@@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000682033561 487885305 /nfs/dbraw/zinc/88/53/05/487885305.db2.gz ZLSLZTNMTYSUPS-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2CC(F)(F)C[C@H]2CO)CC1 ZINC000682033561 487885308 /nfs/dbraw/zinc/88/53/08/487885308.db2.gz ZLSLZTNMTYSUPS-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H](Nc1ncnc2sccc21)c1[nH]cc[nH+]1 ZINC000139908740 487890676 /nfs/dbraw/zinc/89/06/76/487890676.db2.gz ZQKHOKLGUCSZSU-SSDOTTSWSA-N 1 2 245.311 2.588 20 0 BFADLO C[C@@H]([NH2+]Cc1cncnc1)c1c(F)cccc1F ZINC000054767931 487896355 /nfs/dbraw/zinc/89/63/55/487896355.db2.gz BSMPDHHDHBBVDG-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(F)F ZINC000676709681 487897192 /nfs/dbraw/zinc/89/71/92/487897192.db2.gz RYCOOMFOQGKWQY-CABZTGNLSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(F)F ZINC000676709681 487897198 /nfs/dbraw/zinc/89/71/98/487897198.db2.gz RYCOOMFOQGKWQY-CABZTGNLSA-N 1 2 241.281 2.576 20 0 BFADLO c1cc(-c2noc(C[N@H+]3CC=CCC3)n2)cs1 ZINC000679322713 487902125 /nfs/dbraw/zinc/90/21/25/487902125.db2.gz MMDYIGHVNMFFBS-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO c1cc(-c2noc(C[N@@H+]3CC=CCC3)n2)cs1 ZINC000679322713 487902129 /nfs/dbraw/zinc/90/21/29/487902129.db2.gz MMDYIGHVNMFFBS-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO CC1(C)C[N@H+](Cc2nccs2)C(C)(C)CO1 ZINC000676715844 487903399 /nfs/dbraw/zinc/90/33/99/487903399.db2.gz XIGHGYFLATVVFW-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CC1(C)C[N@@H+](Cc2nccs2)C(C)(C)CO1 ZINC000676715844 487903405 /nfs/dbraw/zinc/90/34/05/487903405.db2.gz XIGHGYFLATVVFW-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1CCC1(C)C ZINC000667000814 487926039 /nfs/dbraw/zinc/92/60/39/487926039.db2.gz PTCVLNRKJNBQMS-JTQLQIEISA-N 1 2 247.342 2.522 20 0 BFADLO COc1ccc(CNc2cc(C)c[nH+]c2C)cn1 ZINC000404555801 487927616 /nfs/dbraw/zinc/92/76/16/487927616.db2.gz OMNUZELTJYRBAC-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676794210 487930984 /nfs/dbraw/zinc/93/09/84/487930984.db2.gz ACZXALZBQIWGJM-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676794210 487930992 /nfs/dbraw/zinc/93/09/92/487930992.db2.gz ACZXALZBQIWGJM-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO CCc1cc(C)nc(N[C@H](CC)c2[nH]cc[nH+]2)n1 ZINC000682237263 487932642 /nfs/dbraw/zinc/93/26/42/487932642.db2.gz UJHWZERBLAMMGE-LLVKDONJSA-N 1 2 245.330 2.634 20 0 BFADLO Cc1[nH]c(CNCc2ccc(C)c(F)c2)[nH+]c1C ZINC000566498655 323003356 /nfs/dbraw/zinc/00/33/56/323003356.db2.gz FLVVWWUYOUJPLR-UHFFFAOYSA-N 1 2 247.317 2.764 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](C)CC1 ZINC000562126331 323012396 /nfs/dbraw/zinc/01/23/96/323012396.db2.gz AGXULQCBTVZOFK-SNVBAGLBSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CCC[C@H]2C)c(C)c[nH+]1 ZINC000562531354 323023062 /nfs/dbraw/zinc/02/30/62/323023062.db2.gz AVEXTWZAYVCDBT-ABAIWWIYSA-N 1 2 246.354 2.885 20 0 BFADLO CC1(C)Cc2cccc(CNc3c[nH]c[nH+]3)c2O1 ZINC000569705043 323037781 /nfs/dbraw/zinc/03/77/81/323037781.db2.gz AJCGRBCUKCAQAS-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C)c2nnc(C)o2)c1 ZINC000569873606 323043448 /nfs/dbraw/zinc/04/34/48/323043448.db2.gz HSVFKTZUJKKUSM-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccc2oc(C[NH2+]Cc3ncc[nH]3)cc2c1 ZINC000570014318 323047393 /nfs/dbraw/zinc/04/73/93/323047393.db2.gz HBPZUNXJJWEDGK-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO O=C1C[N@@H+]([C@@H]2C=CCCC2)Cc2ccccc2N1 ZINC000570291706 323055361 /nfs/dbraw/zinc/05/53/61/323055361.db2.gz MTWTUSUQMKNABG-CYBMUJFWSA-N 1 2 242.322 2.549 20 0 BFADLO O=C1C[N@H+]([C@@H]2C=CCCC2)Cc2ccccc2N1 ZINC000570291706 323055362 /nfs/dbraw/zinc/05/53/62/323055362.db2.gz MTWTUSUQMKNABG-CYBMUJFWSA-N 1 2 242.322 2.549 20 0 BFADLO C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000570563691 323063211 /nfs/dbraw/zinc/06/32/11/323063211.db2.gz TUYJFVIJXAWGOG-MNOVXSKESA-N 1 2 247.342 2.649 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1cc(F)ccc1F ZINC000570567605 323063323 /nfs/dbraw/zinc/06/33/23/323063323.db2.gz XLYHWNJNEIFGNG-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cc1c[nH+]c(C)nc1NCC(C)(C)C(F)(F)F ZINC000570582928 323064070 /nfs/dbraw/zinc/06/40/70/323064070.db2.gz OIBUYEOFDZBIAT-UHFFFAOYSA-N 1 2 247.264 2.516 20 0 BFADLO c1coc(-c2cccc(NCc3[nH]cc[nH+]3)c2)n1 ZINC000160239242 323064425 /nfs/dbraw/zinc/06/44/25/323064425.db2.gz HSVKTUHDYUUXJT-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO CCc1cnc(C[N@@H+]2CCSC(C)(C)C2)o1 ZINC000531441019 323089972 /nfs/dbraw/zinc/08/99/72/323089972.db2.gz HOQOWCLKOMTDFU-UHFFFAOYSA-N 1 2 240.372 2.564 20 0 BFADLO CCc1cnc(C[N@H+]2CCSC(C)(C)C2)o1 ZINC000531441019 323089973 /nfs/dbraw/zinc/08/99/73/323089973.db2.gz HOQOWCLKOMTDFU-UHFFFAOYSA-N 1 2 240.372 2.564 20 0 BFADLO COc1ccc[nH+]c1NCc1ccc(C)c(C)n1 ZINC000313992036 323105456 /nfs/dbraw/zinc/10/54/56/323105456.db2.gz XTWCCNJWJWKGJU-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ccc(NCc2ccc3[nH]cnc3c2)[nH+]c1 ZINC000531802676 323114155 /nfs/dbraw/zinc/11/41/55/323114155.db2.gz LBJSJJHAFCVNNG-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1ccc(NCc2ccc3nc[nH]c3c2)[nH+]c1 ZINC000531802676 323114156 /nfs/dbraw/zinc/11/41/56/323114156.db2.gz LBJSJJHAFCVNNG-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000534238831 323114920 /nfs/dbraw/zinc/11/49/20/323114920.db2.gz MCSAVWDGHWGBBY-VHSXEESVSA-N 1 2 215.300 2.798 20 0 BFADLO CC[C@@H](C)CN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534323967 323116536 /nfs/dbraw/zinc/11/65/36/323116536.db2.gz FJBBXJCYGBFUQQ-SNVBAGLBSA-N 1 2 249.358 2.630 20 0 BFADLO c1nc(CNc2c[nH+]c3c(c2)CCCC3)co1 ZINC000563342627 323119250 /nfs/dbraw/zinc/11/92/50/323119250.db2.gz OUNZWXKGLKURQZ-UHFFFAOYSA-N 1 2 229.283 2.561 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)on1 ZINC000531976576 323161987 /nfs/dbraw/zinc/16/19/87/323161987.db2.gz QEPLCXITEMBMHY-JTQLQIEISA-N 1 2 234.299 2.989 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000308967706 323182756 /nfs/dbraw/zinc/18/27/56/323182756.db2.gz WZRABNRBLZKMGF-KXUCPTDWSA-N 1 2 206.289 2.547 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCC[C@H](F)C2)cc[nH+]1 ZINC000563885827 323183295 /nfs/dbraw/zinc/18/32/95/323183295.db2.gz XPOGOVLYKGXKOX-WDEREUQCSA-N 1 2 237.322 2.715 20 0 BFADLO Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)s1 ZINC000535748565 323190266 /nfs/dbraw/zinc/19/02/66/323190266.db2.gz QODVCRJOUPQTCT-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000536657653 323200087 /nfs/dbraw/zinc/20/00/87/323200087.db2.gz MMXSYONFAYYCJL-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000536657653 323200088 /nfs/dbraw/zinc/20/00/88/323200088.db2.gz MMXSYONFAYYCJL-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)o1 ZINC000070621424 323205075 /nfs/dbraw/zinc/20/50/75/323205075.db2.gz ILHZHTPCYAQHTN-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3cccnc3C2)cs1 ZINC000563968956 323335761 /nfs/dbraw/zinc/33/57/61/323335761.db2.gz IDNCXBLBTSYGTD-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1cc(C[N@H+]2Cc3cccnc3C2)cs1 ZINC000563968956 323335763 /nfs/dbraw/zinc/33/57/63/323335763.db2.gz IDNCXBLBTSYGTD-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CC(C)(C)CCCNc1nc[nH+]c(N)c1Cl ZINC000309318548 323343127 /nfs/dbraw/zinc/34/31/27/323343127.db2.gz ZPSMLUSRDRAYIT-UHFFFAOYSA-N 1 2 242.754 2.950 20 0 BFADLO CC(C)(C)CCCNc1[nH+]cnc(N)c1Cl ZINC000309318548 323343130 /nfs/dbraw/zinc/34/31/30/323343130.db2.gz ZPSMLUSRDRAYIT-UHFFFAOYSA-N 1 2 242.754 2.950 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768802 323345082 /nfs/dbraw/zinc/34/50/82/323345082.db2.gz MTWCFCQNWKWQPP-AEJSXWLSSA-N 1 2 237.347 2.911 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547768802 323345086 /nfs/dbraw/zinc/34/50/86/323345086.db2.gz MTWCFCQNWKWQPP-AEJSXWLSSA-N 1 2 237.347 2.911 20 0 BFADLO CCc1cccc(F)c1C[NH2+]Cc1cc(C)on1 ZINC000527228595 323663989 /nfs/dbraw/zinc/66/39/89/323663989.db2.gz GBRGXAMEDRDPHM-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000528036371 323743531 /nfs/dbraw/zinc/74/35/31/323743531.db2.gz QSXFEESKKPXNOM-AXFHLTTASA-N 1 2 220.316 2.571 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528036680 323745293 /nfs/dbraw/zinc/74/52/93/323745293.db2.gz XFPGWZIBSYDODH-SCZZXKLOSA-N 1 2 248.305 2.664 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000537102664 324008882 /nfs/dbraw/zinc/00/88/82/324008882.db2.gz MXXQACGZKJGCTR-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000542020019 325004387 /nfs/dbraw/zinc/00/43/87/325004387.db2.gz OFOTUBGWZFWYRB-MNOVXSKESA-N 1 2 245.370 2.899 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)no1 ZINC000542574781 325035379 /nfs/dbraw/zinc/03/53/79/325035379.db2.gz RRJIHMJVXKGIDW-NSHDSACASA-N 1 2 248.330 2.611 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC=C(C)C)C1CCCCC1 ZINC000543543999 325092918 /nfs/dbraw/zinc/09/29/18/325092918.db2.gz FAHKNBGWSZJZCO-ZDUSSCGKSA-N 1 2 239.359 2.664 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)o1 ZINC000072709803 325168212 /nfs/dbraw/zinc/16/82/12/325168212.db2.gz BBYJAJZOROPMTI-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Cn1cc[nH+]c1CSc1ccc(Cl)cn1 ZINC000133130376 325270483 /nfs/dbraw/zinc/27/04/83/325270483.db2.gz UUVPCPQTUUKDOI-UHFFFAOYSA-N 1 2 239.731 2.761 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2cc[nH]c21 ZINC000547490246 325363323 /nfs/dbraw/zinc/36/33/23/325363323.db2.gz TUVLOZGDJLFBQG-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO CC[C@@H](NC(=O)[C@H]1CC12CCCC2)c1[nH]cc[nH+]1 ZINC000547750140 325391514 /nfs/dbraw/zinc/39/15/14/325391514.db2.gz WNLKMXBSWAHYFR-GHMZBOCLSA-N 1 2 247.342 2.557 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000135508335 325415956 /nfs/dbraw/zinc/41/59/56/325415956.db2.gz PUIZVZKCDYZCCW-WCQYABFASA-N 1 2 218.300 2.765 20 0 BFADLO C[C@H](F)CCOc1ccccc1-n1cc[nH+]c1 ZINC000552010849 325584796 /nfs/dbraw/zinc/58/47/96/325584796.db2.gz ZDZRYRVSZVCWES-NSHDSACASA-N 1 2 234.274 2.999 20 0 BFADLO CC[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000152862955 325808050 /nfs/dbraw/zinc/80/80/50/325808050.db2.gz XEKIPOVQCCWOHF-NSHDSACASA-N 1 2 219.332 2.836 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)[C@@H](C)C1 ZINC000565227730 325881227 /nfs/dbraw/zinc/88/12/27/325881227.db2.gz CWPMIEGGHWLTCQ-ONGXEEELSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000566623835 326069557 /nfs/dbraw/zinc/06/95/57/326069557.db2.gz UOBKNDBUDYPUMX-UMSPYCQHSA-N 1 2 232.327 2.577 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567367010 326175430 /nfs/dbraw/zinc/17/54/30/326175430.db2.gz QQLWDQYLZSHYBP-GRYCIOLGSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1cccc2ncc(C[N@@H+]3CCC[C@H](F)C3)n21 ZINC000568054191 326300950 /nfs/dbraw/zinc/30/09/50/326300950.db2.gz OQJVMOOERCKIAA-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2ncc(C[N@H+]3CCC[C@H](F)C3)n21 ZINC000568054191 326300953 /nfs/dbraw/zinc/30/09/53/326300953.db2.gz OQJVMOOERCKIAA-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@@H]1C ZINC000568243649 326333478 /nfs/dbraw/zinc/33/34/78/326333478.db2.gz JBLOSKJSIYSBRN-KWQFWETISA-N 1 2 205.305 2.694 20 0 BFADLO CCCCN(CC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158690096 326337540 /nfs/dbraw/zinc/33/75/40/326337540.db2.gz TVWFBCRGAOGNAI-CMDGGOBGSA-N 1 2 249.358 2.565 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1cn2ccccc2n1 ZINC000568587334 326366035 /nfs/dbraw/zinc/36/60/35/326366035.db2.gz OUNQMQPGDQOTFH-NSHDSACASA-N 1 2 241.294 2.778 20 0 BFADLO FC1(C[NH2+]Cc2cc(-c3ccccc3)on2)CC1 ZINC000568835787 326378777 /nfs/dbraw/zinc/37/87/77/326378777.db2.gz XIKRGFPODFIIAT-UHFFFAOYSA-N 1 2 246.285 2.933 20 0 BFADLO CCc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000682532305 487978001 /nfs/dbraw/zinc/97/80/01/487978001.db2.gz RIZUHSNMKXQTAU-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000682532305 487978004 /nfs/dbraw/zinc/97/80/04/487978004.db2.gz RIZUHSNMKXQTAU-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000682532305 487978009 /nfs/dbraw/zinc/97/80/09/487978009.db2.gz RIZUHSNMKXQTAU-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000682532305 487978013 /nfs/dbraw/zinc/97/80/13/487978013.db2.gz RIZUHSNMKXQTAU-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO O[C@H]1C[N@H+](CCC2CCCCC2)CC(F)(F)C1 ZINC000682544379 487983662 /nfs/dbraw/zinc/98/36/62/487983662.db2.gz QSVYICRIPSJXGS-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1C[N@@H+](CCC2CCCCC2)CC(F)(F)C1 ZINC000682544379 487983665 /nfs/dbraw/zinc/98/36/65/487983665.db2.gz QSVYICRIPSJXGS-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1C[N@H+](CCC2CCCCC2)CC(F)(F)C1 ZINC000682544380 487983230 /nfs/dbraw/zinc/98/32/30/487983230.db2.gz QSVYICRIPSJXGS-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1C[N@@H+](CCC2CCCCC2)CC(F)(F)C1 ZINC000682544380 487983237 /nfs/dbraw/zinc/98/32/37/487983237.db2.gz QSVYICRIPSJXGS-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO CCCC[C@@H](CC)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546132 487984791 /nfs/dbraw/zinc/98/47/91/487984791.db2.gz HOLOQHQGJPSMPA-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO CCCC[C@@H](CC)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546132 487984796 /nfs/dbraw/zinc/98/47/96/487984796.db2.gz HOLOQHQGJPSMPA-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccncc2Cl)o1 ZINC000084084988 487998721 /nfs/dbraw/zinc/99/87/21/487998721.db2.gz BICSGMBLZSPAQY-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2ccsc2)o1 ZINC000309682851 488006846 /nfs/dbraw/zinc/00/68/46/488006846.db2.gz ZXNCTDSSVUCYNM-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccsc2)o1 ZINC000309682848 488006864 /nfs/dbraw/zinc/00/68/64/488006864.db2.gz ZXNCTDSSVUCYNM-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO C[C@@H](Nc1cc[nH+]c2ccncc12)C1CCC1 ZINC000677308686 488012909 /nfs/dbraw/zinc/01/29/09/488012909.db2.gz OUWAYYXZYUMJHF-SNVBAGLBSA-N 1 2 227.311 2.652 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000667475934 488020147 /nfs/dbraw/zinc/02/01/47/488020147.db2.gz GZIQAZBLSISWFS-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000667475934 488020153 /nfs/dbraw/zinc/02/01/53/488020153.db2.gz GZIQAZBLSISWFS-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccsc2)n1 ZINC000560334146 488030661 /nfs/dbraw/zinc/03/06/61/488030661.db2.gz ODUDIUIWHAOHCB-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccsc2)n1 ZINC000560334146 488030662 /nfs/dbraw/zinc/03/06/62/488030662.db2.gz ODUDIUIWHAOHCB-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1[nH+]cc(CN(C)Cc2cccc(C)c2)n1C ZINC000667499281 488030362 /nfs/dbraw/zinc/03/03/62/488030362.db2.gz FHRFYCSVSPIZEO-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO C=C/C(C)=C\CC(=O)Nc1c[nH+]ccc1OC ZINC000682829141 488049323 /nfs/dbraw/zinc/04/93/23/488049323.db2.gz BCWHBVRIFDSCLY-YHYXMXQVSA-N 1 2 232.283 2.551 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCC[C@H](C(C)C)C1 ZINC000656174343 488059358 /nfs/dbraw/zinc/05/93/58/488059358.db2.gz UMVUTJWWNBYIPV-LBPRGKRZSA-N 1 2 249.358 2.666 20 0 BFADLO C[N@@H+](Cc1cccc2ncccc12)CC(F)F ZINC000661132287 488063650 /nfs/dbraw/zinc/06/36/50/488063650.db2.gz WEFSFNIODKZTKM-UHFFFAOYSA-N 1 2 236.265 2.932 20 0 BFADLO C[N@H+](Cc1cccc2ncccc12)CC(F)F ZINC000661132287 488063656 /nfs/dbraw/zinc/06/36/56/488063656.db2.gz WEFSFNIODKZTKM-UHFFFAOYSA-N 1 2 236.265 2.932 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000075633622 488063516 /nfs/dbraw/zinc/06/35/16/488063516.db2.gz GWAIUZCORSLVKB-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000075633622 488063519 /nfs/dbraw/zinc/06/35/19/488063519.db2.gz GWAIUZCORSLVKB-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CCc1noc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561195 488073619 /nfs/dbraw/zinc/07/36/19/488073619.db2.gz JKMOTJRXJVRXLT-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CCc1noc(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561195 488073624 /nfs/dbraw/zinc/07/36/24/488073624.db2.gz JKMOTJRXJVRXLT-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO c1snnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000123668033 488075248 /nfs/dbraw/zinc/07/52/48/488075248.db2.gz NSCSCIDAIWPTDQ-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO c1snnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000123668033 488075254 /nfs/dbraw/zinc/07/52/54/488075254.db2.gz NSCSCIDAIWPTDQ-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO C[N@H+](Cc1cn[nH]c1)Cc1ccsc1Cl ZINC000682996544 488082234 /nfs/dbraw/zinc/08/22/34/488082234.db2.gz DAIHSZBEOCKJCK-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@@H+](Cc1cn[nH]c1)Cc1ccsc1Cl ZINC000682996544 488082237 /nfs/dbraw/zinc/08/22/37/488082237.db2.gz DAIHSZBEOCKJCK-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO FC(F)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677733895 488112660 /nfs/dbraw/zinc/11/26/60/488112660.db2.gz WAWDQGARRSTYSV-SECBINFHSA-N 1 2 242.269 2.639 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677733895 488112666 /nfs/dbraw/zinc/11/26/66/488112666.db2.gz WAWDQGARRSTYSV-SECBINFHSA-N 1 2 242.269 2.639 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000682546975 488117129 /nfs/dbraw/zinc/11/71/29/488117129.db2.gz GKFKWJAUFWONIN-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000682546975 488117136 /nfs/dbraw/zinc/11/71/36/488117136.db2.gz GKFKWJAUFWONIN-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2ccoc2)o1 ZINC000685561872 487543625 /nfs/dbraw/zinc/54/36/25/487543625.db2.gz KUXKGIBURLOPRF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccoc2)o1 ZINC000685561872 487543629 /nfs/dbraw/zinc/54/36/29/487543629.db2.gz KUXKGIBURLOPRF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000668795865 487549925 /nfs/dbraw/zinc/54/99/25/487549925.db2.gz JIFZVKIQMRQHNY-GXFFZTMASA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CC(C)=C[C@H](C)C2)no1 ZINC000668795865 487549929 /nfs/dbraw/zinc/54/99/29/487549929.db2.gz JIFZVKIQMRQHNY-GXFFZTMASA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000668795867 487550192 /nfs/dbraw/zinc/55/01/92/487550192.db2.gz JIFZVKIQMRQHNY-ZWNOBZJWSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000668795867 487550200 /nfs/dbraw/zinc/55/02/00/487550200.db2.gz JIFZVKIQMRQHNY-ZWNOBZJWSA-N 1 2 249.358 2.802 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CC2(CC2)C1 ZINC000334743053 487551132 /nfs/dbraw/zinc/55/11/32/487551132.db2.gz QGMDTFWENFXODZ-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO CCc1cc(NC[C@@H]2CCOC(C)(C)C2)nc[nH+]1 ZINC000665723754 487474031 /nfs/dbraw/zinc/47/40/31/487474031.db2.gz MHPKRAGSCXEMOG-LLVKDONJSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000678463346 487486685 /nfs/dbraw/zinc/48/66/85/487486685.db2.gz AWPRDNKUKWYKFM-IUCAKERBSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000678463346 487486688 /nfs/dbraw/zinc/48/66/88/487486688.db2.gz AWPRDNKUKWYKFM-IUCAKERBSA-N 1 2 248.248 2.928 20 0 BFADLO CCn1c[nH+]cc1CNC1(C(F)F)CCCC1 ZINC000669568761 487499077 /nfs/dbraw/zinc/49/90/77/487499077.db2.gz CIWSVHXMOAWMCF-UHFFFAOYSA-N 1 2 243.301 2.571 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)[C@H]1C[C@@H]1C ZINC000666120013 487503612 /nfs/dbraw/zinc/50/36/12/487503612.db2.gz JBDGYHBYEJDBJF-DLOVCJGASA-N 1 2 220.316 2.937 20 0 BFADLO CCc1cc(N[C@@H](C(C)C)C2CC2)nc[nH+]1 ZINC000324478865 487622572 /nfs/dbraw/zinc/62/25/72/487622572.db2.gz BNSBQYXTSAHCMD-ZDUSSCGKSA-N 1 2 219.332 2.886 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCCC1CCCC1 ZINC000682033297 487712345 /nfs/dbraw/zinc/71/23/45/487712345.db2.gz DBCVOGYSOFZWGI-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@H+]1CCCC1CCCC1 ZINC000682033297 487712348 /nfs/dbraw/zinc/71/23/48/487712348.db2.gz DBCVOGYSOFZWGI-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1cc(C)n(C)n1 ZINC000676039514 487802708 /nfs/dbraw/zinc/80/27/08/487802708.db2.gz KIJWJGBJCPGLIP-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1cc(C)n(C)n1 ZINC000676039514 487802711 /nfs/dbraw/zinc/80/27/11/487802711.db2.gz KIJWJGBJCPGLIP-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO c1cn(Cc2ccc(-c3ccccn3)cc2)c[nH+]1 ZINC000681546413 487812426 /nfs/dbraw/zinc/81/24/26/487812426.db2.gz PKZKNVAHNZDBRY-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO C[C@@H](Nc1cnc2ccccc2n1)c1[nH]cc[nH+]1 ZINC000139920894 487896998 /nfs/dbraw/zinc/89/69/98/487896998.db2.gz RPQIBBCTUACUGM-SECBINFHSA-N 1 2 239.282 2.526 20 0 BFADLO CCc1cc(C)nc(N[C@@H](CC)c2[nH]cc[nH+]2)n1 ZINC000682237264 487932791 /nfs/dbraw/zinc/93/27/91/487932791.db2.gz UJHWZERBLAMMGE-NSHDSACASA-N 1 2 245.330 2.634 20 0 BFADLO c1cn(-c2ccccc2)c(C[N@H+]2CC=CCC2)n1 ZINC000682997429 488081321 /nfs/dbraw/zinc/08/13/21/488081321.db2.gz ONYNKRICIBGQFI-UHFFFAOYSA-N 1 2 239.322 2.634 20 0 BFADLO c1cn(-c2ccccc2)c(C[N@@H+]2CC=CCC2)n1 ZINC000682997429 488081323 /nfs/dbraw/zinc/08/13/23/488081323.db2.gz ONYNKRICIBGQFI-UHFFFAOYSA-N 1 2 239.322 2.634 20 0 BFADLO CCC[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000677878346 488144233 /nfs/dbraw/zinc/14/42/33/488144233.db2.gz LWJMCUBMVNQSNG-SECBINFHSA-N 1 2 230.315 2.813 20 0 BFADLO C[C@H](CNc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000677877900 488144967 /nfs/dbraw/zinc/14/49/67/488144967.db2.gz IEUASICEPNXXFV-SECBINFHSA-N 1 2 242.326 2.670 20 0 BFADLO FC(F)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000685918255 488148610 /nfs/dbraw/zinc/14/86/10/488148610.db2.gz IPUIMIBLPINRQE-VIFPVBQESA-N 1 2 249.264 2.721 20 0 BFADLO Cc1ccsc1C[NH2+][C@@H](C)C(F)F ZINC000228517141 488158709 /nfs/dbraw/zinc/15/87/09/488158709.db2.gz HMXDWFLGAWALEA-ZETCQYMHSA-N 1 2 205.273 2.800 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2CSc3ccccc32)o1 ZINC000397864179 488160522 /nfs/dbraw/zinc/16/05/22/488160522.db2.gz FNQMBUBWRSBTTK-LBPRGKRZSA-N 1 2 246.335 2.920 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CCOc2ccccc21 ZINC000678215108 488217685 /nfs/dbraw/zinc/21/76/85/488217685.db2.gz CFINRSQADGTPQS-JTQLQIEISA-N 1 2 241.281 2.750 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CCOc2ccccc21 ZINC000678215108 488217688 /nfs/dbraw/zinc/21/76/88/488217688.db2.gz CFINRSQADGTPQS-JTQLQIEISA-N 1 2 241.281 2.750 20 0 BFADLO CCc1cc(N[C@H](CC)C2CC2)nc[nH+]1 ZINC000323767158 488220780 /nfs/dbraw/zinc/22/07/80/488220780.db2.gz WPOSTGRYMMMLGY-LLVKDONJSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1nc([C@H]2CCCC[N@@H+]2CC2(C)CC2)no1 ZINC000683827299 488227935 /nfs/dbraw/zinc/22/79/35/488227935.db2.gz SSXINIBATMQURY-LLVKDONJSA-N 1 2 235.331 2.705 20 0 BFADLO Cc1nc([C@H]2CCCC[N@H+]2CC2(C)CC2)no1 ZINC000683827299 488227938 /nfs/dbraw/zinc/22/79/38/488227938.db2.gz SSXINIBATMQURY-LLVKDONJSA-N 1 2 235.331 2.705 20 0 BFADLO C[N@H+](Cc1cn[nH]c1)Cc1cscc1Cl ZINC000678265991 488230096 /nfs/dbraw/zinc/23/00/96/488230096.db2.gz HOCDXUHIWSUHFQ-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@@H+](Cc1cn[nH]c1)Cc1cscc1Cl ZINC000678265991 488230099 /nfs/dbraw/zinc/23/00/99/488230099.db2.gz HOCDXUHIWSUHFQ-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO Clc1cscc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268523 488231207 /nfs/dbraw/zinc/23/12/07/488231207.db2.gz HHPUNVDSKGZIEW-AOOOYVTPSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1cscc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268523 488231209 /nfs/dbraw/zinc/23/12/09/488231209.db2.gz HHPUNVDSKGZIEW-AOOOYVTPSA-N 1 2 243.759 2.765 20 0 BFADLO CC1=CC[N@H+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678269759 488232350 /nfs/dbraw/zinc/23/23/50/488232350.db2.gz BYDHSNUYMLHULG-UHFFFAOYSA-N 1 2 245.301 2.625 20 0 BFADLO CC1=CC[N@@H+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678269759 488232352 /nfs/dbraw/zinc/23/23/52/488232352.db2.gz BYDHSNUYMLHULG-UHFFFAOYSA-N 1 2 245.301 2.625 20 0 BFADLO Cn1nccc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283354 488237028 /nfs/dbraw/zinc/23/70/28/488237028.db2.gz JOVCMRYQVSPQAD-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1nccc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283354 488237029 /nfs/dbraw/zinc/23/70/29/488237029.db2.gz JOVCMRYQVSPQAD-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1noc(C)c1CNc1cc2cc[nH]c2c[nH+]1 ZINC000683893315 488238399 /nfs/dbraw/zinc/23/83/99/488238399.db2.gz JKLJCFANEVXAPK-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000683895811 488239026 /nfs/dbraw/zinc/23/90/26/488239026.db2.gz KSHKOLALKQYMST-CYBMUJFWSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CCc2ccc(F)cc21 ZINC000683895811 488239028 /nfs/dbraw/zinc/23/90/28/488239028.db2.gz KSHKOLALKQYMST-CYBMUJFWSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)o1 ZINC000678354418 488246219 /nfs/dbraw/zinc/24/62/19/488246219.db2.gz IFYKCKNSUGTFFB-SCZZXKLOSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1nc(N2CC(C)(C)C2)c2c([nH+]1)CCCC2 ZINC000683939365 488248722 /nfs/dbraw/zinc/24/87/22/488248722.db2.gz SFCUMAFVTGCJNU-UHFFFAOYSA-N 1 2 231.343 2.510 20 0 BFADLO Cc1cc(N2CCC3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000672274926 488249451 /nfs/dbraw/zinc/24/94/51/488249451.db2.gz SSVLIVYWBDECKU-UHFFFAOYSA-N 1 2 229.327 2.653 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)C1CC1 ZINC000672760414 488265796 /nfs/dbraw/zinc/26/57/96/488265796.db2.gz QBKMQJSDEWSHSP-JTQLQIEISA-N 1 2 247.342 2.866 20 0 BFADLO FC(F)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000678775154 488282204 /nfs/dbraw/zinc/28/22/04/488282204.db2.gz KAOTWEPKJLHEIP-WCQYABFASA-N 1 2 241.281 2.619 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2ccon2)cc[nH+]1 ZINC000678786680 488282664 /nfs/dbraw/zinc/28/26/64/488282664.db2.gz PMWLUQKTQNJURS-VIFPVBQESA-N 1 2 232.287 2.761 20 0 BFADLO Cn1cc[nH+]c1[C@@H](Nc1ccccc1)C1CC1 ZINC000678807950 488285520 /nfs/dbraw/zinc/28/55/20/488285520.db2.gz TZDPVKSWAATONE-ZDUSSCGKSA-N 1 2 227.311 2.983 20 0 BFADLO Cn1cc[nH+]c1[C@H](Nc1ccccc1)C1CC1 ZINC000678807947 488285591 /nfs/dbraw/zinc/28/55/91/488285591.db2.gz TZDPVKSWAATONE-CYBMUJFWSA-N 1 2 227.311 2.983 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1nc2c(s1)CCC2 ZINC000678813106 488286136 /nfs/dbraw/zinc/28/61/36/488286136.db2.gz RPDSQCQGQHSYKP-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1nc2c(s1)CCC2 ZINC000678813106 488286139 /nfs/dbraw/zinc/28/61/39/488286139.db2.gz RPDSQCQGQHSYKP-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO Cc1nc(C(=O)Nc2c(C)cc(C)[nH+]c2C)co1 ZINC000673460763 488287529 /nfs/dbraw/zinc/28/75/29/488287529.db2.gz UILOYJAKSUGWPG-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1ccc2c(c1)N(CCCn1cc[nH+]c1)CC2 ZINC000678885909 488293941 /nfs/dbraw/zinc/29/39/41/488293941.db2.gz KWJCHGRQLHTWTO-UHFFFAOYSA-N 1 2 241.338 2.644 20 0 BFADLO c1cc(C[NH2+]Cc2nc3c(s2)CCCC3)co1 ZINC000678953108 488298506 /nfs/dbraw/zinc/29/85/06/488298506.db2.gz QUVKYJFCJPDGIJ-UHFFFAOYSA-N 1 2 248.351 2.905 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000679224412 488321234 /nfs/dbraw/zinc/32/12/34/488321234.db2.gz SODCQOBWJQQQNR-INTQDDNPSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000679224412 488321236 /nfs/dbraw/zinc/32/12/36/488321236.db2.gz SODCQOBWJQQQNR-INTQDDNPSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cs1 ZINC000679227169 488322534 /nfs/dbraw/zinc/32/25/34/488322534.db2.gz WZJHUIHMOQUEBE-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cs1 ZINC000679227169 488322535 /nfs/dbraw/zinc/32/25/35/488322535.db2.gz WZJHUIHMOQUEBE-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc2[nH]ccc2c(NC(C)(C)C(F)F)[nH+]1 ZINC000684594606 488330341 /nfs/dbraw/zinc/33/03/41/488330341.db2.gz HDBOUONNYRYULI-UHFFFAOYSA-N 1 2 240.257 2.722 20 0 BFADLO COc1cccc([C@H](C)[N@H+](C)Cc2cnc[nH]2)c1 ZINC000684617808 488332717 /nfs/dbraw/zinc/33/27/17/488332717.db2.gz WPZOIRAQFIEZFG-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO COc1cccc([C@H](C)[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000684617808 488332718 /nfs/dbraw/zinc/33/27/18/488332718.db2.gz WPZOIRAQFIEZFG-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1c[nH]cn1 ZINC000684619528 488333696 /nfs/dbraw/zinc/33/36/96/488333696.db2.gz BNLFCDWQUKNNQJ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c[nH]cn1 ZINC000684619528 488333698 /nfs/dbraw/zinc/33/36/98/488333698.db2.gz BNLFCDWQUKNNQJ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cnc[nH]1 ZINC000684619528 488333700 /nfs/dbraw/zinc/33/37/00/488333700.db2.gz BNLFCDWQUKNNQJ-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO COCc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000679359113 488345094 /nfs/dbraw/zinc/34/50/94/488345094.db2.gz KOTLOOJXVIOWGK-GXFFZTMASA-N 1 2 241.306 2.606 20 0 BFADLO COCc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000679359113 488345096 /nfs/dbraw/zinc/34/50/96/488345096.db2.gz KOTLOOJXVIOWGK-GXFFZTMASA-N 1 2 241.306 2.606 20 0 BFADLO Fc1cc(C[N@H+]2CC=CCC2)cc(F)c1F ZINC000679360248 488345839 /nfs/dbraw/zinc/34/58/39/488345839.db2.gz UEKJZVOSTKPXOH-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO Fc1cc(C[N@@H+]2CC=CCC2)cc(F)c1F ZINC000679360248 488345841 /nfs/dbraw/zinc/34/58/41/488345841.db2.gz UEKJZVOSTKPXOH-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@@H](C)CCCCO ZINC000679363916 488347066 /nfs/dbraw/zinc/34/70/66/488347066.db2.gz SMUSJOBXMAIKHD-LBPRGKRZSA-N 1 2 237.343 2.967 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CCc2ccccc21 ZINC000679533922 488356762 /nfs/dbraw/zinc/35/67/62/488356762.db2.gz GBQFPEDRELNIIC-NSHDSACASA-N 1 2 225.282 2.913 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CCc2ccccc21 ZINC000679533922 488356764 /nfs/dbraw/zinc/35/67/64/488356764.db2.gz GBQFPEDRELNIIC-NSHDSACASA-N 1 2 225.282 2.913 20 0 BFADLO c1cc(NC2CSC2)[nH+]cc1N1CCCCC1 ZINC000679625520 488359922 /nfs/dbraw/zinc/35/99/22/488359922.db2.gz DHUYFSNIVUEDLR-UHFFFAOYSA-N 1 2 249.383 2.599 20 0 BFADLO C[C@H](CO)C[N@H+](CC1CCC1)c1ccccc1 ZINC000121488924 490095404 /nfs/dbraw/zinc/09/54/04/490095404.db2.gz LAKYJHQAHUIJHO-ZDUSSCGKSA-N 1 2 233.355 2.922 20 0 BFADLO C[C@H](CO)C[N@@H+](CC1CCC1)c1ccccc1 ZINC000121488924 490095406 /nfs/dbraw/zinc/09/54/06/490095406.db2.gz LAKYJHQAHUIJHO-ZDUSSCGKSA-N 1 2 233.355 2.922 20 0 BFADLO c1cc(C[NH2+]Cc2ccc(C3CC3)cc2)[nH]n1 ZINC000094519349 490240816 /nfs/dbraw/zinc/24/08/16/490240816.db2.gz FJWDSQXWZUIGAU-UHFFFAOYSA-N 1 2 227.311 2.577 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094519238 490240837 /nfs/dbraw/zinc/24/08/37/490240837.db2.gz HESKEGAZYNXWEH-UHFFFAOYSA-N 1 2 241.338 2.885 20 0 BFADLO CC[C@H]1CC[C@@H](C)N1c1cc(NC2CC2)[nH+]cn1 ZINC000413218096 490274000 /nfs/dbraw/zinc/27/40/00/490274000.db2.gz GWVGMMRNVIIDBL-PWSUYJOCSA-N 1 2 246.358 2.818 20 0 BFADLO CC[C@H]1CC[C@@H](C)N1c1cc(NC2CC2)nc[nH+]1 ZINC000413218096 490274004 /nfs/dbraw/zinc/27/40/04/490274004.db2.gz GWVGMMRNVIIDBL-PWSUYJOCSA-N 1 2 246.358 2.818 20 0 BFADLO COc1ccc(C)cc1C[NH2+]CC(C)(F)F ZINC000393234236 490497218 /nfs/dbraw/zinc/49/72/18/490497218.db2.gz YUIDBWQDESWUIN-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO O=C(CCc1c[nH+]c[nH]1)Nc1cccc(Cl)c1 ZINC000074727125 490501365 /nfs/dbraw/zinc/50/13/65/490501365.db2.gz FYHBZXAIWUEIOC-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO O=C(CCc1c[nH]c[nH+]1)Nc1cccc(Cl)c1 ZINC000074727125 490501372 /nfs/dbraw/zinc/50/13/72/490501372.db2.gz FYHBZXAIWUEIOC-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO CCc1cc(N[C@H](CC)C2CCOCC2)nc[nH+]1 ZINC000074774410 490504387 /nfs/dbraw/zinc/50/43/87/490504387.db2.gz FYRQGRTYLVIESC-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cncs2)cs1 ZINC000126571111 490505300 /nfs/dbraw/zinc/50/53/00/490505300.db2.gz RWMHNFDSPZLGDY-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO CCc1cc(NCC2(CC)CC2)nc[nH+]1 ZINC000226807105 491051151 /nfs/dbraw/zinc/05/11/51/491051151.db2.gz IMZLBDODQNWUEI-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]CC(F)F ZINC000088162755 491094555 /nfs/dbraw/zinc/09/45/55/491094555.db2.gz WBDYEVYLBBNVBC-QMMMGPOBSA-N 1 2 215.243 2.611 20 0 BFADLO CCCc1[nH+]c2ccccc2n1[C@H](C)[C@H](C)O ZINC000122915011 491116683 /nfs/dbraw/zinc/11/66/83/491116683.db2.gz VKXIXRGIRDESGO-MNOVXSKESA-N 1 2 232.327 2.931 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+]Cc2cscn2)s1 ZINC000090406586 491126084 /nfs/dbraw/zinc/12/60/84/491126084.db2.gz QVNWVNLZRIQTMY-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ncc[nH]1 ZINC000138916963 491129662 /nfs/dbraw/zinc/12/96/62/491129662.db2.gz HGKHXROCSGCUNV-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO CCc1cc(NC[C@@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000230432533 491130106 /nfs/dbraw/zinc/13/01/06/491130106.db2.gz MEZDHOFLQSIQJM-WDEREUQCSA-N 1 2 219.332 2.887 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ncc[nH]1 ZINC000139101119 491130397 /nfs/dbraw/zinc/13/03/97/491130397.db2.gz JJKOGLLXBRPBNP-MWLCHTKSSA-N 1 2 245.351 2.907 20 0 BFADLO CC(=O)c1ccc(NCc2[nH+]ccn2C)cc1C ZINC000135064798 491132718 /nfs/dbraw/zinc/13/27/18/491132718.db2.gz QEZQGFLNRCRQJX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132047261 491133978 /nfs/dbraw/zinc/13/39/78/491133978.db2.gz DGIJDIJZFWAFOJ-UWVGGRQHSA-N 1 2 248.326 2.853 20 0 BFADLO CCC[C@@H](C)CNc1ccc(OC)c[nH+]1 ZINC000309239776 491146579 /nfs/dbraw/zinc/14/65/79/491146579.db2.gz YCYCQWHMPAGCQP-SNVBAGLBSA-N 1 2 208.305 2.938 20 0 BFADLO C[C@H](CNc1ccc(CO)c[nH+]1)C(C)(C)C ZINC000309365665 491147549 /nfs/dbraw/zinc/14/75/49/491147549.db2.gz PLFBTAMYZUVMAY-SNVBAGLBSA-N 1 2 222.332 2.668 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cocn2)cc1Cl ZINC000309696703 491154661 /nfs/dbraw/zinc/15/46/61/491154661.db2.gz LFVLFJJWTWBTBJ-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCOCC(C)(C)CNc1cc(CC)[nH+]cn1 ZINC000310404872 491161382 /nfs/dbraw/zinc/16/13/82/491161382.db2.gz HSRDBNDPQLBVPM-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO CC[C@@]1(Nc2cc[nH+]c(C(C)C)n2)CCOC1 ZINC000804689841 582527388 /nfs/dbraw/zinc/52/73/88/582527388.db2.gz MCWJZEBFWVJGBE-CYBMUJFWSA-N 1 2 235.331 2.581 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000488430439 533730255 /nfs/dbraw/zinc/73/02/55/533730255.db2.gz DTYBZRWWLNEDSF-VXGBXAGGSA-N 1 2 231.343 2.750 20 0 BFADLO Cc1cc(N(C)C2CC2)nc(C2CCC2)[nH+]1 ZINC000891769792 582718500 /nfs/dbraw/zinc/71/85/00/582718500.db2.gz MLUGTHOXWPODBC-UHFFFAOYSA-N 1 2 217.316 2.651 20 0 BFADLO CC[C@]1(C)CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000343546075 535912060 /nfs/dbraw/zinc/91/20/60/535912060.db2.gz ZKHIHTWYPSWMNG-CQSZACIVSA-N 1 2 244.342 2.893 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](C)C(F)(F)C2)O1 ZINC000494220617 534236274 /nfs/dbraw/zinc/23/62/74/534236274.db2.gz RERFLVPKHGZJTF-HBNTYKKESA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C)C(F)(F)C2)O1 ZINC000494220617 534236277 /nfs/dbraw/zinc/23/62/77/534236277.db2.gz RERFLVPKHGZJTF-HBNTYKKESA-N 1 2 233.302 2.531 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)no1 ZINC000335732823 536138104 /nfs/dbraw/zinc/13/81/04/536138104.db2.gz YZJYQILKVHZIOO-FZMZJTMJSA-N 1 2 249.358 2.644 20 0 BFADLO Cc1cccc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493008660 534672849 /nfs/dbraw/zinc/67/28/49/534672849.db2.gz UDJZNKACADJIOB-SREVYHEPSA-N 1 2 241.294 2.678 20 0 BFADLO CCC(CC)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892339335 582860131 /nfs/dbraw/zinc/86/01/31/582860131.db2.gz FNNWKXXYTOKQBC-JTQLQIEISA-N 1 2 222.332 2.983 20 0 BFADLO CC(=O)[C@H](C)SCc1cn2cc(C)ccc2[nH+]1 ZINC000175186699 534792878 /nfs/dbraw/zinc/79/28/78/534792878.db2.gz LSKOKJSTQKLCNC-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO CC(C)c1nc(N2CC3CCC2CC3)cc[nH+]1 ZINC000371443107 534908660 /nfs/dbraw/zinc/90/86/60/534908660.db2.gz NTMSFQJOTJYNPV-UHFFFAOYSA-N 1 2 231.343 2.979 20 0 BFADLO CC(C)(NC(=O)/C=C/C1CCCC1)c1[nH]cc[nH+]1 ZINC000493683166 527261511 /nfs/dbraw/zinc/26/15/11/527261511.db2.gz FFSZPEMWTYVNPB-BQYQJAHWSA-N 1 2 247.342 2.507 20 0 BFADLO CC(C)(C)C(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493671467 527614682 /nfs/dbraw/zinc/61/46/82/527614682.db2.gz ATIBVIRSXIIAHH-VOTSOKGWSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)CCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492914369 527705151 /nfs/dbraw/zinc/70/51/51/527705151.db2.gz SPNZPBHYWKPXDO-QDZRJHCZSA-N 1 2 249.358 2.754 20 0 BFADLO CC1CCC(C)(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493211066 528171836 /nfs/dbraw/zinc/17/18/36/528171836.db2.gz XWLKIGQBYPGUEG-ONEGZZNKSA-N 1 2 247.342 2.508 20 0 BFADLO CCCCCOC1C[NH+](Cc2cnccc2C)C1 ZINC000459589610 528220855 /nfs/dbraw/zinc/22/08/55/528220855.db2.gz HXNXLLAPDYXVEK-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO CCC[C@H]([NH2+]Cc1cc(C)ccc1C)C(=O)OC ZINC000475102138 528227762 /nfs/dbraw/zinc/22/77/62/528227762.db2.gz RADOCKBBVHZLBO-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCCCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493650688 528268617 /nfs/dbraw/zinc/26/86/17/528268617.db2.gz CRIYVVSFGRKABL-AEZGRPFRSA-N 1 2 235.331 2.508 20 0 BFADLO CCCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492776955 528268831 /nfs/dbraw/zinc/26/88/31/528268831.db2.gz NSYYRZPXHIVBKJ-TVRMLOFPSA-N 1 2 235.331 2.508 20 0 BFADLO CCCCN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@H](C)CC ZINC000493387554 528298058 /nfs/dbraw/zinc/29/80/58/528298058.db2.gz NWVNMDMBSZUELE-QDZRJHCZSA-N 1 2 249.358 2.850 20 0 BFADLO CC1(C)CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493395344 528917520 /nfs/dbraw/zinc/91/75/20/528917520.db2.gz XOCPTSWNXGBVFK-DGMVEKRQSA-N 1 2 247.342 2.508 20 0 BFADLO CC1(C)CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493579893 528982100 /nfs/dbraw/zinc/98/21/00/528982100.db2.gz BQLFOQGOWPTSKJ-GZTOBOFZSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493229855 529313123 /nfs/dbraw/zinc/31/31/23/529313123.db2.gz WHJYYOKCSSSJOM-PBWNMSGQSA-N 1 2 247.342 2.508 20 0 BFADLO C[NH+](C)Cc1nc(C2CCC(C)(C)CC2)no1 ZINC000335672052 536061739 /nfs/dbraw/zinc/06/17/39/536061739.db2.gz CWBMGZFZUPJMEQ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000334391370 536113359 /nfs/dbraw/zinc/11/33/59/536113359.db2.gz VAFRIMXURQYUOS-VIFPVBQESA-N 1 2 245.326 2.866 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)no1 ZINC000335732824 536137853 /nfs/dbraw/zinc/13/78/53/536137853.db2.gz YZJYQILKVHZIOO-RISCZKNCSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)no1 ZINC000335732824 536137857 /nfs/dbraw/zinc/13/78/57/536137857.db2.gz YZJYQILKVHZIOO-RISCZKNCSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)no1 ZINC000335732823 536138100 /nfs/dbraw/zinc/13/81/00/536138100.db2.gz YZJYQILKVHZIOO-FZMZJTMJSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000348132035 536177959 /nfs/dbraw/zinc/17/79/59/536177959.db2.gz UJQMUGZHKWTFIQ-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cn1 ZINC000348132035 536177962 /nfs/dbraw/zinc/17/79/62/536177962.db2.gz UJQMUGZHKWTFIQ-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cscn1 ZINC000343116331 536317018 /nfs/dbraw/zinc/31/70/18/536317018.db2.gz IJRAFJDDPQGZMU-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cscn1 ZINC000343116331 536317024 /nfs/dbraw/zinc/31/70/24/536317024.db2.gz IJRAFJDDPQGZMU-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO COc1ccc2c(c1)[nH+]ccc2OC[C@H](C)OC ZINC000181663716 537019390 /nfs/dbraw/zinc/01/93/90/537019390.db2.gz FZSRGGGKTNUZND-JTQLQIEISA-N 1 2 247.294 2.657 20 0 BFADLO COc1ccc(CNc2c[nH+]cc(C)c2)cc1O ZINC000119627256 566307206 /nfs/dbraw/zinc/30/72/06/566307206.db2.gz KBVLWEHVNNCSRW-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO c1cc(C[NH2+]Cc2coc3ccccc23)no1 ZINC000148750377 566379977 /nfs/dbraw/zinc/37/99/77/566379977.db2.gz APJWCMNLJITXPX-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000398196996 583123991 /nfs/dbraw/zinc/12/39/91/583123991.db2.gz LTAVQJNDBDJEQE-LDYMZIIASA-N 1 2 243.301 2.567 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1C ZINC000894035476 583279622 /nfs/dbraw/zinc/27/96/22/583279622.db2.gz YWYNNPAXNWMXDL-ZJUUUORDSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1C ZINC000894035476 583279625 /nfs/dbraw/zinc/27/96/25/583279625.db2.gz YWYNNPAXNWMXDL-ZJUUUORDSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1ncoc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000894050214 583288354 /nfs/dbraw/zinc/28/83/54/583288354.db2.gz MLRSQUOQBZOPIT-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1ncoc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000894050214 583288356 /nfs/dbraw/zinc/28/83/56/583288356.db2.gz MLRSQUOQBZOPIT-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NC[C@@H]1CCCOC1 ZINC000111318338 588741605 /nfs/dbraw/zinc/74/16/05/588741605.db2.gz DYICKXKMPGLRFE-ZDUSSCGKSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@@H]1CCCOC1 ZINC000111318338 588741606 /nfs/dbraw/zinc/74/16/06/588741606.db2.gz DYICKXKMPGLRFE-ZDUSSCGKSA-N 1 2 248.370 2.900 20 0 BFADLO NC(COc1ccccc1)=[NH+]OCC1CC=CC1 ZINC000853646034 588752066 /nfs/dbraw/zinc/75/20/66/588752066.db2.gz NVVPDXHBFLMMKZ-UHFFFAOYSA-N 1 2 246.310 2.530 20 0 BFADLO NC(=[NH+]OCC1CC=CC1)c1cccc(F)c1 ZINC000853663268 588753839 /nfs/dbraw/zinc/75/38/39/588753839.db2.gz YAIREEYOSMGUIR-UHFFFAOYSA-N 1 2 234.274 2.638 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1(C)CCC1 ZINC000853673045 588754655 /nfs/dbraw/zinc/75/46/55/588754655.db2.gz PVZFUXOTVOUYAB-LLVKDONJSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCC1CCC1 ZINC000853675275 588754974 /nfs/dbraw/zinc/75/49/74/588754974.db2.gz RGKURDLASKSRNQ-NSHDSACASA-N 1 2 242.363 2.736 20 0 BFADLO C1=C[C@H](Nc2cc(N[C@H]3C=CCC3)[nH+]cn2)CC1 ZINC000853800821 588764191 /nfs/dbraw/zinc/76/41/91/588764191.db2.gz ZGQMNNONRDBHGU-RYUDHWBXSA-N 1 2 242.326 2.738 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@@H]2CC2(C)C)n1 ZINC000854098159 588774778 /nfs/dbraw/zinc/77/47/78/588774778.db2.gz GBGGZLNXTMEMEY-NSHDSACASA-N 1 2 243.310 2.877 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594938 588796297 /nfs/dbraw/zinc/79/62/97/588796297.db2.gz SDMMAMIFBNXUFN-AAXQSMANSA-N 1 2 235.331 2.579 20 0 BFADLO CC(=CC(C)(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594938 588796298 /nfs/dbraw/zinc/79/62/98/588796298.db2.gz SDMMAMIFBNXUFN-AAXQSMANSA-N 1 2 235.331 2.579 20 0 BFADLO CCSCCO[NH+]=C(N)c1ccccc1C ZINC000778020460 582494819 /nfs/dbraw/zinc/49/48/19/582494819.db2.gz RLVBZTKLQFTHNJ-UHFFFAOYSA-N 1 2 238.356 2.595 20 0 BFADLO CO[C@](C)(CNc1ccc([NH+](C)C)cc1)C1CC1 ZINC000846753110 582665252 /nfs/dbraw/zinc/66/52/52/582665252.db2.gz HPDPGTZWYTYHPK-OAHLLOKOSA-N 1 2 248.370 2.980 20 0 BFADLO Cc1cc(NC(C)C)nc(C2CCC2)[nH+]1 ZINC000891387771 582675480 /nfs/dbraw/zinc/67/54/80/582675480.db2.gz BAZKFHSHUJRGNB-UHFFFAOYSA-N 1 2 205.305 2.873 20 0 BFADLO CCc1cc(NCc2ccccn2)nc(CC)[nH+]1 ZINC000891409914 582680256 /nfs/dbraw/zinc/68/02/56/582680256.db2.gz SAGVUZMSHGCSRZ-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccco1 ZINC000891488273 582692219 /nfs/dbraw/zinc/69/22/19/582692219.db2.gz SSQKKYYUYRRQRG-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccco1 ZINC000891488273 582692221 /nfs/dbraw/zinc/69/22/21/582692221.db2.gz SSQKKYYUYRRQRG-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000891493860 582692771 /nfs/dbraw/zinc/69/27/71/582692771.db2.gz YOBULLOQFBYFCP-QWRGUYRKSA-N 1 2 243.310 2.703 20 0 BFADLO CCC1(CC)[C@H]([N@H+](C)CC(F)F)C[C@@H]1OC ZINC000178133200 582693212 /nfs/dbraw/zinc/69/32/12/582693212.db2.gz KHLZDDJJIASSLU-ZJUUUORDSA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(CC)[C@H]([N@@H+](C)CC(F)F)C[C@@H]1OC ZINC000178133200 582693214 /nfs/dbraw/zinc/69/32/14/582693214.db2.gz KHLZDDJJIASSLU-ZJUUUORDSA-N 1 2 235.318 2.777 20 0 BFADLO CSCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891512285 582694875 /nfs/dbraw/zinc/69/48/75/582694875.db2.gz LXHMSWOHXRIWJY-UHFFFAOYSA-N 1 2 237.372 2.827 20 0 BFADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1cccnc1 ZINC000891560930 582697137 /nfs/dbraw/zinc/69/71/37/582697137.db2.gz GIRDJKUXYIHHND-MNOVXSKESA-N 1 2 243.310 2.703 20 0 BFADLO Cc1nc(CNc2cccc([C@@H](C)O)[nH+]2)cs1 ZINC000891881574 582734959 /nfs/dbraw/zinc/73/49/59/582734959.db2.gz HNJJCADNXJFZQS-MRVPVSSYSA-N 1 2 249.339 2.512 20 0 BFADLO Cc1cc(NC(=O)[C@@]23C[C@@H]2CCCC3)c(C)c[nH+]1 ZINC000866859062 582764648 /nfs/dbraw/zinc/76/46/48/582764648.db2.gz IIXYCHOLMDROQL-WFASDCNBSA-N 1 2 244.338 2.639 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccon2)c(C)c1 ZINC000892083362 582788341 /nfs/dbraw/zinc/78/83/41/582788341.db2.gz OONVLDJXTDPUNP-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccon2)c(C)c1 ZINC000892083362 582788344 /nfs/dbraw/zinc/78/83/44/582788344.db2.gz OONVLDJXTDPUNP-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)N(Cc1[nH+]ccn1C1CC1)CC(F)F ZINC000892235036 582810591 /nfs/dbraw/zinc/81/05/91/582810591.db2.gz RTNRZXVXLBDNCP-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO C/C=C(/CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855903030 588853271 /nfs/dbraw/zinc/85/32/71/588853271.db2.gz QDJZYFIAAKEJQF-WCIBSUBMSA-N 1 2 243.310 2.938 20 0 BFADLO CC/C=C(\C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902770 588853305 /nfs/dbraw/zinc/85/33/05/588853305.db2.gz LWONHIUMXJWUML-IZZDOVSWSA-N 1 2 243.310 2.938 20 0 BFADLO Cc1cccn2c(NC(=O)C=C3CCC3)c[nH+]c12 ZINC000855902873 588853330 /nfs/dbraw/zinc/85/33/30/588853330.db2.gz OANLFYIRLMACRT-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO CCC1(C)CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892254698 582813794 /nfs/dbraw/zinc/81/37/94/582813794.db2.gz PMBUVKZRQYGDSJ-UHFFFAOYSA-N 1 2 244.342 2.746 20 0 BFADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC000092332095 582855131 /nfs/dbraw/zinc/85/51/31/582855131.db2.gz GRXBIRAQDIBBNJ-QMMMGPOBSA-N 1 2 249.314 2.747 20 0 BFADLO CCC(CC)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892339336 582860257 /nfs/dbraw/zinc/86/02/57/582860257.db2.gz FNNWKXXYTOKQBC-SNVBAGLBSA-N 1 2 222.332 2.983 20 0 BFADLO Cc1occc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000892657540 582941625 /nfs/dbraw/zinc/94/16/25/582941625.db2.gz AJBNDAHTSBBXDI-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO C/C=C(/C=C\C(=O)N[C@H](C)c1[nH+]ccn1C)CC ZINC000856276823 588866646 /nfs/dbraw/zinc/86/66/46/588866646.db2.gz DHXLWDSHWAZWHF-QPWNIVBJSA-N 1 2 247.342 2.510 20 0 BFADLO C/C=C(/C=C\C(=O)N[C@@H](C)c1[nH+]ccn1C)CC ZINC000856276819 588866648 /nfs/dbraw/zinc/86/66/48/588866648.db2.gz DHXLWDSHWAZWHF-FYYNFXCUSA-N 1 2 247.342 2.510 20 0 BFADLO CNc1cc(N2Cc3ccccc3[C@H]2C)nc[nH+]1 ZINC000892769666 582978366 /nfs/dbraw/zinc/97/83/66/582978366.db2.gz COLAJJGUWVPJNZ-SNVBAGLBSA-N 1 2 240.310 2.600 20 0 BFADLO CNc1cc(N2Cc3ccccc3[C@H]2C)[nH+]cn1 ZINC000892769666 582978367 /nfs/dbraw/zinc/97/83/67/582978367.db2.gz COLAJJGUWVPJNZ-SNVBAGLBSA-N 1 2 240.310 2.600 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856286834 588867268 /nfs/dbraw/zinc/86/72/68/588867268.db2.gz CEZYJSRHIYACON-UHFFFAOYSA-N 1 2 243.310 2.938 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@@H]3CC3(C)C)cc2[nH+]1 ZINC000856288757 588867431 /nfs/dbraw/zinc/86/74/31/588867431.db2.gz YMJMZMAJHPFQQJ-NSHDSACASA-N 1 2 243.310 2.627 20 0 BFADLO CC[C@](C)(CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892839184 582992898 /nfs/dbraw/zinc/99/28/98/582992898.db2.gz JZEWMXTXXQQNNM-CQSZACIVSA-N 1 2 249.358 2.625 20 0 BFADLO CCC1(CNc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000892845392 582995643 /nfs/dbraw/zinc/99/56/43/582995643.db2.gz QMESGZPQEAIRFJ-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO Cc1cc(N[C@@H](C)CCCO)nc(C2CCC2)[nH+]1 ZINC000892883201 583002209 /nfs/dbraw/zinc/00/22/09/583002209.db2.gz LESKBKMGQVTEAD-JTQLQIEISA-N 1 2 249.358 2.625 20 0 BFADLO CC(C)C[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892951301 583017362 /nfs/dbraw/zinc/01/73/62/583017362.db2.gz MQOSQHRKCJCNSV-QWRGUYRKSA-N 1 2 222.332 2.981 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)c2ccc[nH]2)[nH+]1 ZINC000893022720 583032016 /nfs/dbraw/zinc/03/20/16/583032016.db2.gz MYGCAATUZKXNFS-NXEZZACHSA-N 1 2 231.299 2.636 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)c2ccc[nH]2)[nH+]1 ZINC000893022723 583032066 /nfs/dbraw/zinc/03/20/66/583032066.db2.gz MYGCAATUZKXNFS-UWVGGRQHSA-N 1 2 231.299 2.636 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1cc(F)ccc1F ZINC000395084701 583040460 /nfs/dbraw/zinc/04/04/60/583040460.db2.gz QVFSVMQGRAYHDX-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO CCc1cc(N[C@]2(C)CCO[C@@H]2C)nc(CC)[nH+]1 ZINC000893133502 583055304 /nfs/dbraw/zinc/05/53/04/583055304.db2.gz BKSHDCWGXPFGMI-QMTHXVAHSA-N 1 2 249.358 2.581 20 0 BFADLO CCn1cc(CNc2ccc(C)[nH+]c2)c(C)n1 ZINC000893146662 583056863 /nfs/dbraw/zinc/05/68/63/583056863.db2.gz NLIFSMGQXQHROC-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1cc(C[NH2+]Cc2nccs2)c(C)o1 ZINC000114504704 588874853 /nfs/dbraw/zinc/87/48/53/588874853.db2.gz YJWNVRPVKPXLSO-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO COc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000893197199 583069702 /nfs/dbraw/zinc/06/97/02/583069702.db2.gz GJSLGQKFZPRULC-UHFFFAOYSA-N 1 2 232.283 2.912 20 0 BFADLO c1nc(C[NH2+][C@@H]2CSCc3ccccc32)co1 ZINC000397710688 583107418 /nfs/dbraw/zinc/10/74/18/583107418.db2.gz CIHPPVXLRJFYIR-CYBMUJFWSA-N 1 2 246.335 2.752 20 0 BFADLO Cc1nc(NCC[C@H]2CC2(Cl)Cl)cc[nH+]1 ZINC000856786109 588877893 /nfs/dbraw/zinc/87/78/93/588877893.db2.gz WJIRYQOQFIETTJ-QMMMGPOBSA-N 1 2 246.141 2.781 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000893368884 583128552 /nfs/dbraw/zinc/12/85/52/583128552.db2.gz NTKJXXAASQAQRT-OUAUKWLOSA-N 1 2 220.316 2.735 20 0 BFADLO C[C@]1(Br)C[C@@H]1C[N@@H+]1CCC=C(F)C1 ZINC000893435385 583142966 /nfs/dbraw/zinc/14/29/66/583142966.db2.gz BJIRALOTOYFQQT-SCZZXKLOSA-N 1 2 248.139 2.719 20 0 BFADLO C[C@]1(Br)C[C@@H]1C[N@H+]1CCC=C(F)C1 ZINC000893435385 583142967 /nfs/dbraw/zinc/14/29/67/583142967.db2.gz BJIRALOTOYFQQT-SCZZXKLOSA-N 1 2 248.139 2.719 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@@H]1CC=CCC1 ZINC000893519658 583156273 /nfs/dbraw/zinc/15/62/73/583156273.db2.gz RWSMCWNCRDAHNS-VXGBXAGGSA-N 1 2 246.310 2.536 20 0 BFADLO CCC(CC)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000433776437 583187349 /nfs/dbraw/zinc/18/73/49/583187349.db2.gz YTOSKKSSDLSJSI-UHFFFAOYSA-N 1 2 232.331 2.536 20 0 BFADLO CCC1(CC)C[NH+](Cc2cn(C)nc2Cl)C1 ZINC000857046628 588884024 /nfs/dbraw/zinc/88/40/24/588884024.db2.gz GPNWSOQGVUKWLU-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(c3ccccc3)C2)no1 ZINC000857058585 588884527 /nfs/dbraw/zinc/88/45/27/588884527.db2.gz RCXRZDCXESRVRW-UHFFFAOYSA-N 1 2 242.322 2.757 20 0 BFADLO Cc1cnnc(NCCCc2cccc(C)[nH+]2)c1 ZINC000893811332 583224982 /nfs/dbraw/zinc/22/49/82/583224982.db2.gz USZCOJSFXCJWEB-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)c2ccco2)c1C ZINC000893930888 583250775 /nfs/dbraw/zinc/25/07/75/583250775.db2.gz HZUOCZYQOKLKSW-NSHDSACASA-N 1 2 233.315 2.813 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@@H](C)c2ccco2)c1C ZINC000893930888 583250776 /nfs/dbraw/zinc/25/07/76/583250776.db2.gz HZUOCZYQOKLKSW-NSHDSACASA-N 1 2 233.315 2.813 20 0 BFADLO CCN(Cc1[nH]cc(C(C)C)[nH+]1)CC(F)(F)F ZINC000893961545 583256080 /nfs/dbraw/zinc/25/60/80/583256080.db2.gz BKEVSVFSDJEUHP-UHFFFAOYSA-N 1 2 249.280 2.917 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ocnc2C)no1 ZINC000893946127 583257119 /nfs/dbraw/zinc/25/71/19/583257119.db2.gz LAISDGIWXNJJRR-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ocnc2C)no1 ZINC000893946127 583257120 /nfs/dbraw/zinc/25/71/20/583257120.db2.gz LAISDGIWXNJJRR-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO COCC[N@H+](Cc1ccco1)Cc1cc(C)co1 ZINC000893954583 583261720 /nfs/dbraw/zinc/26/17/20/583261720.db2.gz WWVRZUVZPNFYAW-UHFFFAOYSA-N 1 2 249.310 2.830 20 0 BFADLO COCC[N@@H+](Cc1ccco1)Cc1cc(C)co1 ZINC000893954583 583261721 /nfs/dbraw/zinc/26/17/21/583261721.db2.gz WWVRZUVZPNFYAW-UHFFFAOYSA-N 1 2 249.310 2.830 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(SC)o1 ZINC000893996154 583267021 /nfs/dbraw/zinc/26/70/21/583267021.db2.gz ZONYONZUSZDNLW-JTQLQIEISA-N 1 2 241.356 2.612 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(SC)o1 ZINC000893996154 583267024 /nfs/dbraw/zinc/26/70/24/583267024.db2.gz ZONYONZUSZDNLW-JTQLQIEISA-N 1 2 241.356 2.612 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000894000329 583271109 /nfs/dbraw/zinc/27/11/09/583271109.db2.gz QGDXDQHPLZYBAR-ONGXEEELSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1C ZINC000894020197 583274784 /nfs/dbraw/zinc/27/47/84/583274784.db2.gz FYKJPMSXEAABJJ-GFCCVEGCSA-N 1 2 245.326 2.609 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1C ZINC000894020197 583274787 /nfs/dbraw/zinc/27/47/87/583274787.db2.gz FYKJPMSXEAABJJ-GFCCVEGCSA-N 1 2 245.326 2.609 20 0 BFADLO c1c(N2CC3(CC3)C2)nc(C2CC2)[nH+]c1C1CC1 ZINC000894016207 583275833 /nfs/dbraw/zinc/27/58/33/583275833.db2.gz ODALHDSMVBAUNK-UHFFFAOYSA-N 1 2 241.338 2.832 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1C ZINC000894034653 583278837 /nfs/dbraw/zinc/27/88/37/583278837.db2.gz UBWXNCYSUWWLNT-ZJUUUORDSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1C ZINC000894034653 583278839 /nfs/dbraw/zinc/27/88/39/583278839.db2.gz UBWXNCYSUWWLNT-ZJUUUORDSA-N 1 2 221.348 2.504 20 0 BFADLO CCc1cc(N2CC[C@H]2C2CC2)nc(CC)[nH+]1 ZINC000894036515 583279434 /nfs/dbraw/zinc/27/94/34/583279434.db2.gz IKGPOIGRYFCWOR-LBPRGKRZSA-N 1 2 231.343 2.590 20 0 BFADLO Cc1cc(N2CC[C@@H](F)C2)nc(C2CCC2)[nH+]1 ZINC000894023284 583280486 /nfs/dbraw/zinc/28/04/86/583280486.db2.gz MBWMREUYYDOMKH-LLVKDONJSA-N 1 2 235.306 2.601 20 0 BFADLO CC1(C)CC[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000857141168 588890375 /nfs/dbraw/zinc/89/03/75/588890375.db2.gz QNMXFLNARXZEKY-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(C(C)(C)C)co1 ZINC000894139349 583315994 /nfs/dbraw/zinc/31/59/94/583315994.db2.gz MIDJUQZBAUVMHN-NXEZZACHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@H]1CCC[C@@H](C2C[NH+](Cc3cocn3)C2)C1 ZINC000877763553 583346660 /nfs/dbraw/zinc/34/66/60/583346660.db2.gz BMWKDUHNEVTBHM-NWDGAFQWSA-N 1 2 234.343 2.933 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878321683 583369758 /nfs/dbraw/zinc/36/97/58/583369758.db2.gz SIHRGGDDQJSIAQ-RHYQMDGZSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878321683 583369760 /nfs/dbraw/zinc/36/97/60/583369760.db2.gz SIHRGGDDQJSIAQ-RHYQMDGZSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878321682 583369848 /nfs/dbraw/zinc/36/98/48/583369848.db2.gz SIHRGGDDQJSIAQ-NOOOWODRSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878321682 583369849 /nfs/dbraw/zinc/36/98/49/583369849.db2.gz SIHRGGDDQJSIAQ-NOOOWODRSA-N 1 2 245.313 2.674 20 0 BFADLO Fc1ccc(CC[NH2+]C2(C(F)F)CC2)cc1F ZINC000894261776 583399387 /nfs/dbraw/zinc/39/93/87/583399387.db2.gz OREYDIGACABKKD-UHFFFAOYSA-N 1 2 247.235 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c1C ZINC000894444365 583461316 /nfs/dbraw/zinc/46/13/16/583461316.db2.gz HUWNMJRMAXFIIS-JTQLQIEISA-N 1 2 235.375 2.895 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC000894472112 583469081 /nfs/dbraw/zinc/46/90/81/583469081.db2.gz WMXZSQRTDAWZGZ-LLVKDONJSA-N 1 2 243.310 2.506 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)C[C@@H](C)O2 ZINC000894472112 583469082 /nfs/dbraw/zinc/46/90/82/583469082.db2.gz WMXZSQRTDAWZGZ-LLVKDONJSA-N 1 2 243.310 2.506 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ncc[nH]2)s1 ZINC000894584565 583488883 /nfs/dbraw/zinc/48/88/83/583488883.db2.gz WIGOCHDBLNMDRP-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ncc[nH]2)s1 ZINC000894584565 583488885 /nfs/dbraw/zinc/48/88/85/583488885.db2.gz WIGOCHDBLNMDRP-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000894584565 583488886 /nfs/dbraw/zinc/48/88/86/583488886.db2.gz WIGOCHDBLNMDRP-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CN(Cc1cc(Cl)cs1)Cc1[nH]cc[nH+]1 ZINC000894586764 583489615 /nfs/dbraw/zinc/48/96/15/583489615.db2.gz VHFLIAPMQJETGC-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CN(Cc1cscc1Cl)Cc1[nH]cc[nH+]1 ZINC000894586956 583490400 /nfs/dbraw/zinc/49/04/00/583490400.db2.gz WAQXPFODJXQGCY-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[C@H](O)c1cccc(NCCCc2ccco2)[nH+]1 ZINC000894614807 583494316 /nfs/dbraw/zinc/49/43/16/583494316.db2.gz VCJDWEWNVBZYDP-NSHDSACASA-N 1 2 246.310 2.773 20 0 BFADLO CC(=O)OC[C@@H](C)Nc1ccc(C2CCC2)c[nH+]1 ZINC000894642043 583499677 /nfs/dbraw/zinc/49/96/77/583499677.db2.gz KLKGBDUKISDWOX-SNVBAGLBSA-N 1 2 248.326 2.713 20 0 BFADLO Clc1n[nH]c(C2CC2)c1C[NH+]1CC2(CC2)C1 ZINC000894663083 583502075 /nfs/dbraw/zinc/50/20/75/583502075.db2.gz HCPLCALSMLYORN-UHFFFAOYSA-N 1 2 237.734 2.536 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000894659658 583503999 /nfs/dbraw/zinc/50/39/99/583503999.db2.gz YVTSIPOSXHKVJU-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000894659658 583504001 /nfs/dbraw/zinc/50/40/01/583504001.db2.gz YVTSIPOSXHKVJU-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894659691 583504336 /nfs/dbraw/zinc/50/43/36/583504336.db2.gz ZUZRKBBSXNILAF-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)c2ccns2)[nH+]1 ZINC000894815127 583524337 /nfs/dbraw/zinc/52/43/37/583524337.db2.gz GNSJXCBNZJKTKJ-IUCAKERBSA-N 1 2 249.339 2.765 20 0 BFADLO c1cn(C2CC2)c(C[NH+]2CC3(C2)CCCCC3)n1 ZINC000894821866 583525564 /nfs/dbraw/zinc/52/55/64/583525564.db2.gz KIRFTXRUAWKGED-UHFFFAOYSA-N 1 2 245.370 2.984 20 0 BFADLO Cc1[nH]nc(C[NH+]2CC(C3CCCC3)C2)c1C ZINC000894978534 583563023 /nfs/dbraw/zinc/56/30/23/583563023.db2.gz IEQZCMMBUPCZDR-UHFFFAOYSA-N 1 2 233.359 2.649 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC(C)(C)C[C@H]2C)c1C ZINC000894997911 583566450 /nfs/dbraw/zinc/56/64/50/583566450.db2.gz BISIVUVAUIDNNR-SECBINFHSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1C ZINC000894997911 583566452 /nfs/dbraw/zinc/56/64/52/583566452.db2.gz BISIVUVAUIDNNR-SECBINFHSA-N 1 2 221.348 2.647 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@H]2C=CCC2)[nH+]1 ZINC000895131601 583600993 /nfs/dbraw/zinc/60/09/93/583600993.db2.gz YEPWPXOYQLAZPV-MNOVXSKESA-N 1 2 218.300 2.513 20 0 BFADLO C[C@H](O)c1cccc(NC[C@]2(C)CC2(C)C)[nH+]1 ZINC000895134074 583601557 /nfs/dbraw/zinc/60/15/57/583601557.db2.gz UNEWHTGOWVHOQC-HZMBPMFUSA-N 1 2 234.343 2.983 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)c1cnccn1 ZINC000895140049 583603010 /nfs/dbraw/zinc/60/30/10/583603010.db2.gz NVRZXEHPIBTGGG-SECBINFHSA-N 1 2 246.339 2.767 20 0 BFADLO c1cc(-c2ccc(N3C[C@@H]4C[C@@H]4C3)[nH+]c2)ccn1 ZINC000895182620 583617687 /nfs/dbraw/zinc/61/76/87/583617687.db2.gz QLBXZNBZCQETDF-OKILXGFUSA-N 1 2 237.306 2.600 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895191896 583621836 /nfs/dbraw/zinc/62/18/36/583621836.db2.gz ULDQDCICVBBHII-NSHDSACASA-N 1 2 237.322 2.542 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895191896 583621838 /nfs/dbraw/zinc/62/18/38/583621838.db2.gz ULDQDCICVBBHII-NSHDSACASA-N 1 2 237.322 2.542 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895191895 583621845 /nfs/dbraw/zinc/62/18/45/583621845.db2.gz ULDQDCICVBBHII-LLVKDONJSA-N 1 2 237.322 2.542 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895191895 583621847 /nfs/dbraw/zinc/62/18/47/583621847.db2.gz ULDQDCICVBBHII-LLVKDONJSA-N 1 2 237.322 2.542 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)[nH+]1 ZINC000895208577 583626048 /nfs/dbraw/zinc/62/60/48/583626048.db2.gz VAYJTFPXPMPTPN-MOLYVOAJSA-N 1 2 246.354 2.839 20 0 BFADLO COc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857878828 588919671 /nfs/dbraw/zinc/91/96/71/588919671.db2.gz NEZCGHZTMYVPME-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857878828 588919672 /nfs/dbraw/zinc/91/96/72/588919672.db2.gz NEZCGHZTMYVPME-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO Cc1cc(NCc2ccc(Cl)nn2)c[nH+]c1C ZINC000895644967 583700444 /nfs/dbraw/zinc/70/04/44/583700444.db2.gz JCIGZGIYHDMQJQ-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CO[C@H](CNc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000895645655 583700479 /nfs/dbraw/zinc/70/04/79/583700479.db2.gz RYURCUMMLUKMIY-CYBMUJFWSA-N 1 2 220.316 2.535 20 0 BFADLO CO[C@@H](CNc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000895645657 583700489 /nfs/dbraw/zinc/70/04/89/583700489.db2.gz RYURCUMMLUKMIY-ZDUSSCGKSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@@H]2COCC2(C)C)c[nH+]c1C ZINC000895645052 583700746 /nfs/dbraw/zinc/70/07/46/583700746.db2.gz LGFYPTYZUKOZRG-GFCCVEGCSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)c[nH+]c1C ZINC000895645136 583700750 /nfs/dbraw/zinc/70/07/50/583700750.db2.gz NIYWSKCKKIZUTO-ZIAGYGMSSA-N 1 2 232.327 2.678 20 0 BFADLO CCSCc1ccc[nH+]c1NCc1ccon1 ZINC000895689524 583707399 /nfs/dbraw/zinc/70/73/99/583707399.db2.gz XGZPRXOKLUEPHC-UHFFFAOYSA-N 1 2 249.339 2.935 20 0 BFADLO COCCCC1(C[N@@H+]2CC[C@H]2C(F)F)CCC1 ZINC000895727310 583713408 /nfs/dbraw/zinc/71/34/08/583713408.db2.gz LNOZEVKSRZCSQT-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO COCCCC1(C[N@H+]2CC[C@H]2C(F)F)CCC1 ZINC000895727310 583713410 /nfs/dbraw/zinc/71/34/10/583713410.db2.gz LNOZEVKSRZCSQT-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO Cc1cc(N[C@@H](c2ccccn2)C2CC2)nc[nH+]1 ZINC000895793113 583728958 /nfs/dbraw/zinc/72/89/58/583728958.db2.gz JKMIVFQDNUQJSJ-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1cc(NCc2nccn2C2CC2)c[nH+]c1C ZINC000896020710 583763816 /nfs/dbraw/zinc/76/38/16/583763816.db2.gz CMEDXMZJVSJOOM-UHFFFAOYSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2C[C@H]2C(F)(F)F)c1C ZINC000896086638 583769126 /nfs/dbraw/zinc/76/91/26/583769126.db2.gz FKMLJVADNMMEJC-DTWKUNHWSA-N 1 2 245.248 2.704 20 0 BFADLO Cc1nc(NCCC2CC=CC2)cc[nH+]1 ZINC000896095954 583771450 /nfs/dbraw/zinc/77/14/50/583771450.db2.gz RIHNKZXVVKMRNJ-UHFFFAOYSA-N 1 2 203.289 2.553 20 0 BFADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857984508 588928543 /nfs/dbraw/zinc/92/85/43/588928543.db2.gz JDOPNSDSZOUEDR-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984509 588928821 /nfs/dbraw/zinc/92/88/21/588928821.db2.gz JDOPNSDSZOUEDR-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCS[C@H](C)C2)c1C ZINC000896247699 583785327 /nfs/dbraw/zinc/78/53/27/583785327.db2.gz RRCPVYVKSYMOPE-LDYMZIIASA-N 1 2 237.372 2.789 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCS[C@H](C)C2)c1C ZINC000896247696 583785526 /nfs/dbraw/zinc/78/55/26/583785526.db2.gz RRCPVYVKSYMOPE-KCJUWKMLSA-N 1 2 237.372 2.789 20 0 BFADLO CC(C)(C)CCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857986552 588929244 /nfs/dbraw/zinc/92/92/44/588929244.db2.gz WLZUQHKNNAZLFN-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCC(C)(C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857996977 588930067 /nfs/dbraw/zinc/93/00/67/588930067.db2.gz GZMDKBBTHWMXDT-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO CCc1cc(N2CCC[C@@H]2C(F)F)nc(C)[nH+]1 ZINC000335955638 583804367 /nfs/dbraw/zinc/80/43/67/583804367.db2.gz ATDCKHMBOXGVCP-SNVBAGLBSA-N 1 2 241.285 2.581 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2ccnc(F)c2)on1 ZINC000858137091 588934292 /nfs/dbraw/zinc/93/42/92/588934292.db2.gz FKXJRTZPFNZOGB-UHFFFAOYSA-N 1 2 249.289 2.622 20 0 BFADLO C[NH+](C)C1(c2nc([C@@H]3CCC[C@H]4C[C@H]43)no2)CC1 ZINC000896765945 583831978 /nfs/dbraw/zinc/83/19/78/583831978.db2.gz OGOHUWZTKGOFDS-HBNTYKKESA-N 1 2 247.342 2.524 20 0 BFADLO C[C@@H](O)c1cccc(NCC(C)(C)C2CC2)[nH+]1 ZINC000896782956 583833192 /nfs/dbraw/zinc/83/31/92/583833192.db2.gz GOEVXDZNBRJEJN-SNVBAGLBSA-N 1 2 234.343 2.983 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CCCC3(CC3)C2)c1 ZINC000897040574 583873609 /nfs/dbraw/zinc/87/36/09/583873609.db2.gz FVMXVUICCXELGQ-GFCCVEGCSA-N 1 2 232.327 2.709 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000897081380 583877866 /nfs/dbraw/zinc/87/78/66/583877866.db2.gz AJPLEZYDTWESSW-IACUBPJLSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]1 ZINC000897177505 583890354 /nfs/dbraw/zinc/89/03/54/583890354.db2.gz QMGFOYUGDYBCBQ-MEWQQHAOSA-N 1 2 232.327 2.735 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897177406 583890598 /nfs/dbraw/zinc/89/05/98/583890598.db2.gz OYAJWPGFNDRMON-OUAUKWLOSA-N 1 2 218.300 2.691 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1C ZINC000897177716 583890602 /nfs/dbraw/zinc/89/06/02/583890602.db2.gz UPZBPOSCZLIITN-QJPTWQEYSA-N 1 2 217.316 2.694 20 0 BFADLO CCc1nc(NC[C@@H]2CCCC(C)(C)O2)cc[nH+]1 ZINC000897254710 583904283 /nfs/dbraw/zinc/90/42/83/583904283.db2.gz TYGKLRBSPYUFMW-NSHDSACASA-N 1 2 249.358 2.799 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840725615 583934495 /nfs/dbraw/zinc/93/44/95/583934495.db2.gz BOZDVUXJZNMJTF-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccns1 ZINC000858317003 588944375 /nfs/dbraw/zinc/94/43/75/588944375.db2.gz QJYAYBOYFZBCGB-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO Cn1cnc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c1 ZINC000865815028 584031586 /nfs/dbraw/zinc/03/15/86/584031586.db2.gz PAVIXVPYIQBQHQ-UHFFFAOYSA-N 1 2 247.342 2.600 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2ncc[nH]2)o1 ZINC000865814290 584031626 /nfs/dbraw/zinc/03/16/26/584031626.db2.gz HYUAPIFXJQOMPS-UHFFFAOYSA-N 1 2 233.315 2.590 20 0 BFADLO CC(C)(C)c1ccc(CNCc2[nH]cc[nH+]2)o1 ZINC000865814290 584031628 /nfs/dbraw/zinc/03/16/28/584031628.db2.gz HYUAPIFXJQOMPS-UHFFFAOYSA-N 1 2 233.315 2.590 20 0 BFADLO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000148695094 584034641 /nfs/dbraw/zinc/03/46/41/584034641.db2.gz FEUCGZAGRZLRMG-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C3CC3)c[nH+]2)n1 ZINC000897715236 584043662 /nfs/dbraw/zinc/04/36/62/584043662.db2.gz GYPZPKRHMWBFRB-UHFFFAOYSA-N 1 2 228.299 2.603 20 0 BFADLO Cc1noc(C2([NH2+]Cc3ccsc3C)CC2)n1 ZINC000897896006 584058755 /nfs/dbraw/zinc/05/87/55/584058755.db2.gz NHDGKISUOITKBB-UHFFFAOYSA-N 1 2 249.339 2.527 20 0 BFADLO Cc1nc(C[NH+]2CC(Cc3ccoc3)C2)cs1 ZINC000898161404 584088222 /nfs/dbraw/zinc/08/82/22/584088222.db2.gz AIZAXHYMXQHDJP-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO Cc1c[nH]c(-c2ccc(NC(=O)C3CC3)cc2)[nH+]1 ZINC000898383110 584130588 /nfs/dbraw/zinc/13/05/88/584130588.db2.gz OYCHQNYPQSUTKS-UHFFFAOYSA-N 1 2 241.294 2.734 20 0 BFADLO Cc1c[nH]c(-c2ccc(NC(=O)C(C)C)cc2)[nH+]1 ZINC000898382968 584130718 /nfs/dbraw/zinc/13/07/18/584130718.db2.gz LFKFIAGRCLHMLJ-UHFFFAOYSA-N 1 2 243.310 2.980 20 0 BFADLO CC(C)c1nnc(C[NH2+]C/C=C/Cl)s1 ZINC000898426837 584132556 /nfs/dbraw/zinc/13/25/56/584132556.db2.gz APEJJIPQRXJTJH-ONEGZZNKSA-N 1 2 231.752 2.504 20 0 BFADLO C[C@H]1C[C@H]1c1csc(Cn2cc[nH+]c2)n1 ZINC000899242296 584185821 /nfs/dbraw/zinc/18/58/21/584185821.db2.gz TYUYILFHLACKLG-DTWKUNHWSA-N 1 2 219.313 2.511 20 0 BFADLO CC(C)c1nc(N[C@@H]2CO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000858809903 588976965 /nfs/dbraw/zinc/97/69/65/588976965.db2.gz TUDKOCNIIWELNJ-NWDGAFQWSA-N 1 2 247.342 2.579 20 0 BFADLO CCO[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000901412200 584440983 /nfs/dbraw/zinc/44/09/83/584440983.db2.gz ZKQZNSXUCYPPCF-VIFPVBQESA-N 1 2 222.313 2.809 20 0 BFADLO CC1CC(CSc2[nH+]cnc3c2cnn3C)C1 ZINC000901447725 584447113 /nfs/dbraw/zinc/44/71/13/584447113.db2.gz PJEPCULRXZXUPJ-UHFFFAOYSA-N 1 2 248.355 2.502 20 0 BFADLO CO[C@H]1C[C@@H](C[NH2+]c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000901446894 584447288 /nfs/dbraw/zinc/44/72/88/584447288.db2.gz LJGNDIWIDFIUKC-GYSYKLTISA-N 1 2 247.338 2.847 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)cc2)c1 ZINC000902078509 584520832 /nfs/dbraw/zinc/52/08/32/584520832.db2.gz DRLLNILRZBAJLA-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CNc1ccc(C)cc1C[NH2+]Cc1cc(C)on1 ZINC000902104421 584523698 /nfs/dbraw/zinc/52/36/98/584523698.db2.gz PYHFENZXYNNXDD-UHFFFAOYSA-N 1 2 245.326 2.623 20 0 BFADLO Cc1sccc1CNc1cc[nH+]c(C)n1 ZINC000902126237 584529172 /nfs/dbraw/zinc/52/91/72/584529172.db2.gz YVWAJXLNKMXIGB-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCc1ccsc1 ZINC000902341166 584557159 /nfs/dbraw/zinc/55/71/59/584557159.db2.gz OVWPXGTTWJNTCC-UHFFFAOYSA-N 1 2 242.344 2.562 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2N(C)C)c1 ZINC000902346616 584559047 /nfs/dbraw/zinc/55/90/47/584559047.db2.gz JIVGCXQCGZNYOL-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(SC)nc2)c1 ZINC000902408111 584574501 /nfs/dbraw/zinc/57/45/01/584574501.db2.gz XDSXXJFTOBDDDZ-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO c1c[nH+]c(COC[C@@H]2CC3CCC2CC3)[nH]1 ZINC000902395885 584585544 /nfs/dbraw/zinc/58/55/44/584585544.db2.gz FKRIOUGFQDDQAH-MCIGGMRASA-N 1 2 220.316 2.753 20 0 BFADLO CNc1ccccc1C[NH2+]C1(C(F)F)CC1 ZINC000902538817 584627844 /nfs/dbraw/zinc/62/78/44/584627844.db2.gz SPXNYIUURBOOOE-UHFFFAOYSA-N 1 2 226.270 2.616 20 0 BFADLO CCNc1ccccc1C[NH2+]CC(C)(F)F ZINC000902575016 584637398 /nfs/dbraw/zinc/63/73/98/584637398.db2.gz SSSMZGIXTYGOII-UHFFFAOYSA-N 1 2 228.286 2.863 20 0 BFADLO CCOCCOc1ccc2c[nH+]ccc2c1 ZINC000902639384 584648915 /nfs/dbraw/zinc/64/89/15/584648915.db2.gz WCSIXYLMSYNQHA-UHFFFAOYSA-N 1 2 217.268 2.650 20 0 BFADLO Cn1c[nH+]c2cc(OCCOC(C)(C)C)ccc21 ZINC000902779880 584669926 /nfs/dbraw/zinc/66/99/26/584669926.db2.gz IONOUIBSEUXKAU-UHFFFAOYSA-N 1 2 248.326 2.767 20 0 BFADLO Cn1c[nH+]c2cc(OCC[C@@H]3CCCO3)ccc21 ZINC000902781013 584670410 /nfs/dbraw/zinc/67/04/10/584670410.db2.gz BPUBEUREJVSQAM-NSHDSACASA-N 1 2 246.310 2.521 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902921233 584692995 /nfs/dbraw/zinc/69/29/95/584692995.db2.gz RIYXFDBOFLNSAB-ULQWKZLWSA-N 1 2 244.338 2.615 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](F)C1 ZINC000902995516 584709813 /nfs/dbraw/zinc/70/98/13/584709813.db2.gz NJCZNXNOCTUNNN-QWRGUYRKSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](F)C1 ZINC000902995516 584709814 /nfs/dbraw/zinc/70/98/14/584709814.db2.gz NJCZNXNOCTUNNN-QWRGUYRKSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](F)C1 ZINC000902995518 584709984 /nfs/dbraw/zinc/70/99/84/584709984.db2.gz NJCZNXNOCTUNNN-WDEREUQCSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](F)C1 ZINC000902995518 584709986 /nfs/dbraw/zinc/70/99/86/584709986.db2.gz NJCZNXNOCTUNNN-WDEREUQCSA-N 1 2 245.338 2.541 20 0 BFADLO CO[C@H]1CCC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000903219771 584737680 /nfs/dbraw/zinc/73/76/80/584737680.db2.gz JUFDSXCPCHFGEW-STQMWFEESA-N 1 2 220.316 2.678 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1cncs1 ZINC000903311104 584748366 /nfs/dbraw/zinc/74/83/66/584748366.db2.gz NJCBOZMLLCQWBT-VHSXEESVSA-N 1 2 248.355 2.525 20 0 BFADLO Cn1nc(C[N@@H+]2CCCC(C)(C)C2)cc1Cl ZINC000859137968 589007707 /nfs/dbraw/zinc/00/77/07/589007707.db2.gz AKVFXNLIJYYIKV-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cn1nc(C[N@H+]2CCCC(C)(C)C2)cc1Cl ZINC000859137968 589007709 /nfs/dbraw/zinc/00/77/09/589007709.db2.gz AKVFXNLIJYYIKV-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ncco1 ZINC000903430483 584761595 /nfs/dbraw/zinc/76/15/95/584761595.db2.gz XSDDQLBDMPLPLA-GXFFZTMASA-N 1 2 243.310 2.872 20 0 BFADLO c1ccc([C@@H]2CC[C@@H](CN3CC=CC[NH2+]3)C2)cc1 ZINC000903490680 584781060 /nfs/dbraw/zinc/78/10/60/584781060.db2.gz CXXFEUYZOBPJCB-GDBMZVCRSA-N 1 2 242.366 2.947 20 0 BFADLO CC[NH2+]Cc1noc([C@]2(C)CCC[C@H]2CC)n1 ZINC000904075760 584839820 /nfs/dbraw/zinc/83/98/20/584839820.db2.gz QABKESHUPDUMQV-ZWNOBZJWSA-N 1 2 237.347 2.647 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc(CC(C)(C)C)n1 ZINC000904256504 584859022 /nfs/dbraw/zinc/85/90/22/584859022.db2.gz AYKLHWZWGYBCFV-UHFFFAOYSA-N 1 2 246.314 2.611 20 0 BFADLO CC/C=C(\C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257428 584859211 /nfs/dbraw/zinc/85/92/11/584859211.db2.gz XLQWAWUWGNTQMK-VMPITWQZSA-N 1 2 244.298 2.836 20 0 BFADLO CC[C@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258773 584859232 /nfs/dbraw/zinc/85/92/32/584859232.db2.gz SUHIRKOBIYMESQ-ZETCQYMHSA-N 1 2 232.287 2.536 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000904260323 584859272 /nfs/dbraw/zinc/85/92/72/584859272.db2.gz OMYQXTNESRPSJQ-VIFPVBQESA-N 1 2 244.298 2.536 20 0 BFADLO Cc1ncc2c(n1)CCC[C@@H]2Nc1cccc[nH+]1 ZINC000734832180 584969104 /nfs/dbraw/zinc/96/91/04/584969104.db2.gz DBJBRHFEPIBQLV-ZDUSSCGKSA-N 1 2 240.310 2.670 20 0 BFADLO C[C@@H]1C[NH+]=C(NC(=O)CC2(C)CCCC2)S1 ZINC000819777078 585006719 /nfs/dbraw/zinc/00/67/19/585006719.db2.gz HOUDBHXTYWAQEG-SECBINFHSA-N 1 2 240.372 2.564 20 0 BFADLO CC[N@H+](Cn1nc(C)sc1=S)C1CCC1 ZINC000738052703 585040477 /nfs/dbraw/zinc/04/04/77/585040477.db2.gz HXKLPTVPYXIFIG-UHFFFAOYSA-N 1 2 243.401 2.814 20 0 BFADLO CC[N@@H+](Cn1nc(C)sc1=S)C1CCC1 ZINC000738052703 585040478 /nfs/dbraw/zinc/04/04/78/585040478.db2.gz HXKLPTVPYXIFIG-UHFFFAOYSA-N 1 2 243.401 2.814 20 0 BFADLO C[C@]1(C(=O)OCCCn2cc[nH+]c2)CC=CCC1 ZINC000838182397 585048949 /nfs/dbraw/zinc/04/89/49/585048949.db2.gz GPQJHKHSJKLIPE-AWEZNQCLSA-N 1 2 248.326 2.563 20 0 BFADLO CCC/C=C\C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838951930 585080686 /nfs/dbraw/zinc/08/06/86/585080686.db2.gz CHJOQJOCUBDIOJ-TWGQIWQCSA-N 1 2 248.326 2.547 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000839132563 585094119 /nfs/dbraw/zinc/09/41/19/585094119.db2.gz IHWRADDWDIZMBZ-DGCLKSJQSA-N 1 2 249.354 2.606 20 0 BFADLO Fc1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000839182388 585096732 /nfs/dbraw/zinc/09/67/32/585096732.db2.gz IRNXEOATKNROQJ-LBPRGKRZSA-N 1 2 233.286 2.834 20 0 BFADLO Fc1cccc2c1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000839182388 585096733 /nfs/dbraw/zinc/09/67/33/585096733.db2.gz IRNXEOATKNROQJ-LBPRGKRZSA-N 1 2 233.286 2.834 20 0 BFADLO C[C@@H]([NH2+]Cc1ccoc1)c1nc(C(C)(C)C)no1 ZINC000742390826 585125819 /nfs/dbraw/zinc/12/58/19/585125819.db2.gz QNLGTNPGUNIHJI-SECBINFHSA-N 1 2 249.314 2.811 20 0 BFADLO Cc1nn(C[N@@H+]2CCC(C)(C)C2)c(=S)s1 ZINC000743390818 585136579 /nfs/dbraw/zinc/13/65/79/585136579.db2.gz IYRORZKBLBFZHQ-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO Cc1nn(C[N@H+]2CCC(C)(C)C2)c(=S)s1 ZINC000743390818 585136580 /nfs/dbraw/zinc/13/65/80/585136580.db2.gz IYRORZKBLBFZHQ-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO Cl/C=C\C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000743872019 585141351 /nfs/dbraw/zinc/14/13/51/585141351.db2.gz NPPZWZWIRSNRCZ-LLPBQKLSSA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C\C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000743872019 585141352 /nfs/dbraw/zinc/14/13/52/585141352.db2.gz NPPZWZWIRSNRCZ-LLPBQKLSSA-N 1 2 237.730 2.812 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCCO1 ZINC000746502043 585169409 /nfs/dbraw/zinc/16/94/09/585169409.db2.gz BVHUNUWPGGTXTN-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCCO1 ZINC000746502043 585169410 /nfs/dbraw/zinc/16/94/10/585169410.db2.gz BVHUNUWPGGTXTN-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO Cn1c[nH+]cc1COC(=O)/C=C/C1CCCCC1 ZINC000747784709 585184272 /nfs/dbraw/zinc/18/42/72/585184272.db2.gz ZJFJKQVCUAZBTE-BQYQJAHWSA-N 1 2 248.326 2.600 20 0 BFADLO CCO[NH+]=C(N)c1cccc2ccccc21 ZINC000747834186 585184929 /nfs/dbraw/zinc/18/49/29/585184929.db2.gz OMWDNTYIMIIYFP-UHFFFAOYSA-N 1 2 214.268 2.706 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C=C1CCCC1 ZINC000748207117 585189138 /nfs/dbraw/zinc/18/91/38/585189138.db2.gz DZEFJSXTPMCMJD-UHFFFAOYSA-N 1 2 232.283 2.529 20 0 BFADLO Cc1cc(Cl)ccc1OC(=O)[C@H](C)[NH+](C)C ZINC000750195820 585212222 /nfs/dbraw/zinc/21/22/22/585212222.db2.gz NUBXIGLVDOZGJC-VIFPVBQESA-N 1 2 241.718 2.504 20 0 BFADLO C/C=C(\C)C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000750897289 585221121 /nfs/dbraw/zinc/22/11/21/585221121.db2.gz YYIVLAYERLOXRC-ONNFQVAWSA-N 1 2 244.294 2.652 20 0 BFADLO CC=C(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000751310095 585226532 /nfs/dbraw/zinc/22/65/32/585226532.db2.gz YHLLGSQAQQXSCX-KMKOMSMNSA-N 1 2 241.294 2.981 20 0 BFADLO C/C=C(\C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000751404090 585229838 /nfs/dbraw/zinc/22/98/38/585229838.db2.gz YNAPDGGRYDMOMU-WEVVVXLNSA-N 1 2 243.310 2.786 20 0 BFADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000752923231 585251382 /nfs/dbraw/zinc/25/13/82/585251382.db2.gz AUCOGISUYLJKRW-NXEZZACHSA-N 1 2 248.330 2.762 20 0 BFADLO CCCC(CCC)C(=O)OCc1c[nH+]cn1C ZINC000753557501 585261550 /nfs/dbraw/zinc/26/15/50/585261550.db2.gz IBJCKMJMTMQMIA-UHFFFAOYSA-N 1 2 238.331 2.680 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000754127098 585279069 /nfs/dbraw/zinc/27/90/69/585279069.db2.gz JJEUAMVTNKVSJF-NWDGAFQWSA-N 1 2 249.354 2.904 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@@H]2C)cc1NC(C)=O ZINC000754129429 585279165 /nfs/dbraw/zinc/27/91/65/585279165.db2.gz QBFZVFNNRHYNBT-ONGXEEELSA-N 1 2 248.326 2.722 20 0 BFADLO CC[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000755998497 585312631 /nfs/dbraw/zinc/31/26/31/585312631.db2.gz XRBFEIATICMOQI-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO CC[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000755998497 585312632 /nfs/dbraw/zinc/31/26/32/585312632.db2.gz XRBFEIATICMOQI-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCC2CCC2)[nH+]1 ZINC000756136004 585315066 /nfs/dbraw/zinc/31/50/66/585315066.db2.gz CSHLVROPZBZCDM-UHFFFAOYSA-N 1 2 230.315 2.820 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1nccc(C)n1 ZINC000756518882 585320348 /nfs/dbraw/zinc/32/03/48/585320348.db2.gz JAYBAHNBMLPHBQ-UHFFFAOYSA-N 1 2 247.264 2.559 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1nccc(C)n1 ZINC000756518882 585320349 /nfs/dbraw/zinc/32/03/49/585320349.db2.gz JAYBAHNBMLPHBQ-UHFFFAOYSA-N 1 2 247.264 2.559 20 0 BFADLO Cc1noc(C[NH2+]C(C)(C)c2ccc(F)cc2)n1 ZINC000103482946 585330518 /nfs/dbraw/zinc/33/05/18/585330518.db2.gz DXHCVBAEXGZNSH-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCF ZINC000759341781 585369312 /nfs/dbraw/zinc/36/93/12/585369312.db2.gz DYPIMDGCTFIWSI-SECBINFHSA-N 1 2 211.255 2.714 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCF ZINC000759341781 585369313 /nfs/dbraw/zinc/36/93/13/585369313.db2.gz DYPIMDGCTFIWSI-SECBINFHSA-N 1 2 211.255 2.714 20 0 BFADLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCF ZINC000759371523 585371636 /nfs/dbraw/zinc/37/16/36/585371636.db2.gz LDQJFHUPMGISEP-QMMMGPOBSA-N 1 2 229.245 2.853 20 0 BFADLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCF ZINC000759371523 585371637 /nfs/dbraw/zinc/37/16/37/585371637.db2.gz LDQJFHUPMGISEP-QMMMGPOBSA-N 1 2 229.245 2.853 20 0 BFADLO C[C@H](Nc1cc[nH+]c2ccncc12)c1ccc[nH]1 ZINC000760274753 585388626 /nfs/dbraw/zinc/38/86/26/585388626.db2.gz UHQQDYHEOSQGIF-JTQLQIEISA-N 1 2 238.294 2.553 20 0 BFADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000761038419 585403817 /nfs/dbraw/zinc/40/38/17/585403817.db2.gz AGELIMHENBQKJK-SSDOTTSWSA-N 1 2 236.262 2.527 20 0 BFADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000761038419 585403818 /nfs/dbraw/zinc/40/38/18/585403818.db2.gz AGELIMHENBQKJK-SSDOTTSWSA-N 1 2 236.262 2.527 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000761109902 585410074 /nfs/dbraw/zinc/41/00/74/585410074.db2.gz QPCIMSPRVRTABS-SECBINFHSA-N 1 2 244.285 2.885 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000761109902 585410075 /nfs/dbraw/zinc/41/00/75/585410075.db2.gz QPCIMSPRVRTABS-SECBINFHSA-N 1 2 244.285 2.885 20 0 BFADLO CC(C)c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000761341981 585413894 /nfs/dbraw/zinc/41/38/94/585413894.db2.gz NXDLCDHFWYYIKG-UHFFFAOYSA-N 1 2 228.255 2.508 20 0 BFADLO CCC[C@@H](C)c1noc(C[N@H+](CC)C2CC2)n1 ZINC000761846143 585420071 /nfs/dbraw/zinc/42/00/71/585420071.db2.gz SCGKEXABMUJPHA-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@@H](C)c1noc(C[N@@H+](CC)C2CC2)n1 ZINC000761846143 585420072 /nfs/dbraw/zinc/42/00/72/585420072.db2.gz SCGKEXABMUJPHA-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO Cc1nc(Nc2cccc(CO)c2)c(C)c(C)[nH+]1 ZINC000761872072 585421669 /nfs/dbraw/zinc/42/16/69/585421669.db2.gz BQWPMMPQXMZPJT-UHFFFAOYSA-N 1 2 243.310 2.638 20 0 BFADLO C[C@@H]1C[C@H]1c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000762254656 585430271 /nfs/dbraw/zinc/43/02/71/585430271.db2.gz OJJDYXKFFBEKSL-PSASIEDQSA-N 1 2 240.266 2.508 20 0 BFADLO Fc1cccc2c1C[N@H+](C/C=C\Cl)CC2 ZINC000767775844 585525897 /nfs/dbraw/zinc/52/58/97/585525897.db2.gz RMISKRBVIXLNCX-KXFIGUGUSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1cccc2c1C[N@@H+](C/C=C\Cl)CC2 ZINC000767775844 585525898 /nfs/dbraw/zinc/52/58/98/585525898.db2.gz RMISKRBVIXLNCX-KXFIGUGUSA-N 1 2 225.694 2.936 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H](C)C(C)(C)C ZINC000767909215 585527976 /nfs/dbraw/zinc/52/79/76/585527976.db2.gz FTNAAMKJOSZFNF-LLVKDONJSA-N 1 2 249.358 2.616 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccoc2)no1 ZINC000768428306 585538420 /nfs/dbraw/zinc/53/84/20/585538420.db2.gz HHXPOGDNZDWSJN-ZDUSSCGKSA-N 1 2 232.283 2.913 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccoc2)no1 ZINC000768428306 585538421 /nfs/dbraw/zinc/53/84/21/585538421.db2.gz HHXPOGDNZDWSJN-ZDUSSCGKSA-N 1 2 232.283 2.913 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000768922182 585546033 /nfs/dbraw/zinc/54/60/33/585546033.db2.gz KICCWQMTTKWYMX-DGMVEKRQSA-N 1 2 242.363 2.902 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000769103978 585549319 /nfs/dbraw/zinc/54/93/19/585549319.db2.gz VAEGEUHRBHCIFJ-ZETCQYMHSA-N 1 2 248.157 2.569 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000769103978 585549320 /nfs/dbraw/zinc/54/93/20/585549320.db2.gz VAEGEUHRBHCIFJ-ZETCQYMHSA-N 1 2 248.157 2.569 20 0 BFADLO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000769873357 585565628 /nfs/dbraw/zinc/56/56/28/585565628.db2.gz LHPQLWPTUCXXHY-VIFPVBQESA-N 1 2 249.314 2.693 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000770346242 585572967 /nfs/dbraw/zinc/57/29/67/585572967.db2.gz DVBAOVZAHSFGCB-GJZGRUSLSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000770346242 585572968 /nfs/dbraw/zinc/57/29/68/585572968.db2.gz DVBAOVZAHSFGCB-GJZGRUSLSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000770346240 585573071 /nfs/dbraw/zinc/57/30/71/585573071.db2.gz DVBAOVZAHSFGCB-CABCVRRESA-N 1 2 241.338 2.706 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000770346240 585573072 /nfs/dbraw/zinc/57/30/72/585573072.db2.gz DVBAOVZAHSFGCB-CABCVRRESA-N 1 2 241.338 2.706 20 0 BFADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)c(C)o1 ZINC000770667665 585579268 /nfs/dbraw/zinc/57/92/68/585579268.db2.gz RVJLPFPGOORPLZ-UHFFFAOYSA-N 1 2 209.264 2.956 20 0 BFADLO Cc1cc(C[N@H+]2CCC=C(F)C2)c(C)o1 ZINC000770667665 585579269 /nfs/dbraw/zinc/57/92/69/585579269.db2.gz RVJLPFPGOORPLZ-UHFFFAOYSA-N 1 2 209.264 2.956 20 0 BFADLO CCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770733457 585580733 /nfs/dbraw/zinc/58/07/33/585580733.db2.gz LTXUCZYXWLFCPT-UHFFFAOYSA-N 1 2 232.283 2.568 20 0 BFADLO CC(C)(C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000770734592 585581028 /nfs/dbraw/zinc/58/10/28/585581028.db2.gz WHJBLAMRSMLIHP-UHFFFAOYSA-N 1 2 246.310 2.814 20 0 BFADLO CCC/C=C\C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922423 585584269 /nfs/dbraw/zinc/58/42/69/585584269.db2.gz MUSXMJYBGBJYEO-YWEYNIOJSA-N 1 2 244.294 2.734 20 0 BFADLO CCC/C=C/C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922422 585584386 /nfs/dbraw/zinc/58/43/86/585584386.db2.gz MUSXMJYBGBJYEO-XBXARRHUSA-N 1 2 244.294 2.734 20 0 BFADLO O=C(CCC1CC1)OCc1cccc2[nH+]ccn21 ZINC000770932983 585584795 /nfs/dbraw/zinc/58/47/95/585584795.db2.gz ZWKBPOKGHIBDPL-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccon2)c(C)n1 ZINC000771386177 585593413 /nfs/dbraw/zinc/59/34/13/585593413.db2.gz CRKFSVAXFGQNKQ-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO C/C=C/C=C\C(=O)OCc1ccc(C)[nH+]c1C ZINC000771887877 585603566 /nfs/dbraw/zinc/60/35/66/585603566.db2.gz ATBFALIDAVGJDH-DEQVHDEQSA-N 1 2 231.295 2.874 20 0 BFADLO Cc1ccc(COC(=O)CC2CC2)c(C)[nH+]1 ZINC000771997347 585606272 /nfs/dbraw/zinc/60/62/72/585606272.db2.gz KKJJIMRNIQWQFA-UHFFFAOYSA-N 1 2 219.284 2.542 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2CC23CCC3)c(C)[nH+]1 ZINC000772188580 585609735 /nfs/dbraw/zinc/60/97/35/585609735.db2.gz SCGTWSNDXQCGDE-CYBMUJFWSA-N 1 2 245.322 2.932 20 0 BFADLO C[C@@H](CC(C)(C)C)C(=O)OCc1c[nH+]cn1C ZINC000774140029 585651601 /nfs/dbraw/zinc/65/16/01/585651601.db2.gz QTXIWMQHOMDXGJ-JTQLQIEISA-N 1 2 238.331 2.536 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cc2ccccc2[nH]1 ZINC000775628229 585681841 /nfs/dbraw/zinc/68/18/41/585681841.db2.gz QFBGGLZRHPMWQN-SNVBAGLBSA-N 1 2 240.310 2.742 20 0 BFADLO CCC/C(C)=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777454731 585712455 /nfs/dbraw/zinc/71/24/55/585712455.db2.gz QWFWMECWQFGBTF-NLYDNYMLSA-N 1 2 247.342 2.820 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(N(C)CCO)cc1)C1CC1 ZINC000777652717 585717957 /nfs/dbraw/zinc/71/79/57/585717957.db2.gz CCNMVATVUWISKM-OAHLLOKOSA-N 1 2 248.370 2.716 20 0 BFADLO C[C@H]([NH2+]c1ccc(OCCO)cc1)C1CCC1 ZINC000777687829 585718653 /nfs/dbraw/zinc/71/86/53/585718653.db2.gz MUSJMNGVFIXDCW-NSHDSACASA-N 1 2 235.327 2.658 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C)[C@H](F)C2)cc[nH+]1 ZINC000778000109 585725032 /nfs/dbraw/zinc/72/50/32/585725032.db2.gz MONZFMPDGOSYDO-GHMZBOCLSA-N 1 2 237.322 2.784 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cccnc2Cl)C[C@@H]1F ZINC000778229981 585728483 /nfs/dbraw/zinc/72/84/83/585728483.db2.gz AQHSYFYDPYESPK-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@@H]1F ZINC000778229981 585728484 /nfs/dbraw/zinc/72/84/84/585728484.db2.gz AQHSYFYDPYESPK-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1F ZINC000778231345 585728601 /nfs/dbraw/zinc/72/86/01/585728601.db2.gz DXZJYOSBFSZFMV-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1F ZINC000778231345 585728602 /nfs/dbraw/zinc/72/86/02/585728602.db2.gz DXZJYOSBFSZFMV-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ccccc1[C@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000778962020 585742926 /nfs/dbraw/zinc/74/29/26/585742926.db2.gz XXJDWJOXMJSHJF-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1ccccc1[C@H](O)C[N@H+]1CCC=C(F)C1 ZINC000778962020 585742927 /nfs/dbraw/zinc/74/29/27/585742927.db2.gz XXJDWJOXMJSHJF-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CC=CCC2)o1 ZINC000778967422 585743214 /nfs/dbraw/zinc/74/32/14/585743214.db2.gz CZRPSSYZAMECQJ-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CC=CCC2)o1 ZINC000778967422 585743215 /nfs/dbraw/zinc/74/32/15/585743215.db2.gz CZRPSSYZAMECQJ-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1F ZINC000779149650 585745957 /nfs/dbraw/zinc/74/59/57/585745957.db2.gz NVPTYULHRIOONS-MNOVXSKESA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1F ZINC000779149650 585745958 /nfs/dbraw/zinc/74/59/58/585745958.db2.gz NVPTYULHRIOONS-MNOVXSKESA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H](CCO)[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000779422075 585754775 /nfs/dbraw/zinc/75/47/75/585754775.db2.gz LEMAWCDGCHWWMU-JTQLQIEISA-N 1 2 235.327 2.583 20 0 BFADLO C[NH+](C)[C@@H](C(=O)OCCC1CC1)c1ccccc1 ZINC000780089863 585772525 /nfs/dbraw/zinc/77/25/25/585772525.db2.gz JHYFSIUWSMBJES-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000780740805 585784232 /nfs/dbraw/zinc/78/42/32/585784232.db2.gz HDYNMKVEDOIIRH-YPMHNXCESA-N 1 2 247.338 2.849 20 0 BFADLO CCc1cc(Nc2cccc(CO)c2)nc(C)[nH+]1 ZINC000782133691 585808295 /nfs/dbraw/zinc/80/82/95/585808295.db2.gz RYIDDZBPTOADIW-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO Cc1cc([NH2+][C@@H](C)C2CCC2)ccc1OCCO ZINC000782782758 585824354 /nfs/dbraw/zinc/82/43/54/585824354.db2.gz HFWZPEXHUYBUQC-LBPRGKRZSA-N 1 2 249.354 2.967 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(OCCO)c(C)c1)C1CC1 ZINC000782783905 585824505 /nfs/dbraw/zinc/82/45/05/585824505.db2.gz QQXDPVKFQILJPV-CQSZACIVSA-N 1 2 249.354 2.967 20 0 BFADLO C[C@H]1CC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000783318389 585833770 /nfs/dbraw/zinc/83/37/70/585833770.db2.gz VPDRBXVFSVSCCQ-IINYFYTJSA-N 1 2 233.311 2.675 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCCC1CCCC1 ZINC000783568567 585836377 /nfs/dbraw/zinc/83/63/77/585836377.db2.gz WOMDJKWRSGBMDF-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO Cc1ccc(C(N)=[NH+]OCCC2CC2)cc1F ZINC000783553896 585836637 /nfs/dbraw/zinc/83/66/37/585836637.db2.gz SFWDIGMAIMMJBY-UHFFFAOYSA-N 1 2 236.290 2.781 20 0 BFADLO CC(C)(C)CCC(=O)OCCCn1cc[nH+]c1 ZINC000783747970 585841722 /nfs/dbraw/zinc/84/17/22/585841722.db2.gz YWPSOOQNYDNSGQ-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO COc1ccc(NCc2ccc(F)nc2C)[nH+]c1 ZINC000784301317 585855093 /nfs/dbraw/zinc/85/50/93/585855093.db2.gz WATXLCOTVXWYRH-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CC[C@H](NC(=O)/C(C)=C/C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421029 585873318 /nfs/dbraw/zinc/87/33/18/585873318.db2.gz KNRQARYODXRLQD-USKTWTLRSA-N 1 2 249.358 2.969 20 0 BFADLO CC[C@H](NC(=O)C(C)=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421029 585873319 /nfs/dbraw/zinc/87/33/19/585873319.db2.gz KNRQARYODXRLQD-USKTWTLRSA-N 1 2 249.358 2.969 20 0 BFADLO CC1=CC[C@H]([NH2+]c2ccc(OCCO)cc2)CC1 ZINC000788732269 585929838 /nfs/dbraw/zinc/92/98/38/585929838.db2.gz BLPCQDHLMSLDQM-ZDUSSCGKSA-N 1 2 247.338 2.968 20 0 BFADLO Fc1cccc(-c2cn3c([nH+]2)CCC3)c1 ZINC000788866699 585931723 /nfs/dbraw/zinc/93/17/23/585931723.db2.gz GWBLEYTVHPHKSR-UHFFFAOYSA-N 1 2 202.232 2.635 20 0 BFADLO CC1(C)Cc2cccc(NCc3[nH]cc[nH+]3)c2O1 ZINC000788973219 585932733 /nfs/dbraw/zinc/93/27/33/585932733.db2.gz OWVQNCPVTBZHRN-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO NC(=[NH+]OCCCC1CCCC1)[C@@H]1CCCO1 ZINC000789607349 585946199 /nfs/dbraw/zinc/94/61/99/585946199.db2.gz BOQTWFYVRADXSC-LBPRGKRZSA-N 1 2 240.347 2.634 20 0 BFADLO CCCC[C@@H](CC)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789626326 585947213 /nfs/dbraw/zinc/94/72/13/585947213.db2.gz FHHYDWHGUZIVAM-NEPJUHHUSA-N 1 2 242.363 2.880 20 0 BFADLO NC(=[NH+]OCC1CCCCCC1)[C@@H]1CCCO1 ZINC000789627192 585947258 /nfs/dbraw/zinc/94/72/58/585947258.db2.gz LYOBRBSFXZAKAY-LBPRGKRZSA-N 1 2 240.347 2.634 20 0 BFADLO CC(C)c1cnc(C[NH+]2[C@H](C)C[C@H]2C)o1 ZINC000791577826 585984870 /nfs/dbraw/zinc/98/48/70/585984870.db2.gz NLPVXAWWHMLEHD-NXEZZACHSA-N 1 2 208.305 2.781 20 0 BFADLO Nc1cc(COC(=O)C=C2CCCCC2)cc[nH+]1 ZINC000791774575 585987658 /nfs/dbraw/zinc/98/76/58/585987658.db2.gz DVXTXEYHBZWPBO-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C/C(=C\C(=O)OCc1cc[nH+]c(N)c1)C(C)(C)C ZINC000791966701 585992436 /nfs/dbraw/zinc/99/24/36/585992436.db2.gz SQCMOMUIHNSORU-JXMROGBWSA-N 1 2 248.326 2.699 20 0 BFADLO C[C@@H](C(=O)OCc1cc[nH+]c(N)c1)C1CCCC1 ZINC000791992669 585992829 /nfs/dbraw/zinc/99/28/29/585992829.db2.gz WWINCIAQNREIJJ-SNVBAGLBSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CC[C@@H](CC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792025316 585993846 /nfs/dbraw/zinc/99/38/46/585993846.db2.gz SLULYQMDJSQYCJ-WDEREUQCSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1coc(C2CC2)n1 ZINC000793219859 586014491 /nfs/dbraw/zinc/01/44/91/586014491.db2.gz HNECYVGUZSLLPV-IUCAKERBSA-N 1 2 206.289 2.535 20 0 BFADLO CCC[C@](C)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000796327603 586100888 /nfs/dbraw/zinc/10/08/88/586100888.db2.gz INXPWYJYNAGOLS-ZDUSSCGKSA-N 1 2 238.331 2.643 20 0 BFADLO Fc1cncc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000796451389 586103875 /nfs/dbraw/zinc/10/38/75/586103875.db2.gz VUOMHWKJEXZQEZ-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cncc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000796451389 586103876 /nfs/dbraw/zinc/10/38/76/586103876.db2.gz VUOMHWKJEXZQEZ-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO Cc1cnc([C@H](C)[NH+]2CCC(F)(F)CC2)o1 ZINC000796540807 586106462 /nfs/dbraw/zinc/10/64/62/586106462.db2.gz VIPCCYKSZVOKPO-VIFPVBQESA-N 1 2 230.258 2.775 20 0 BFADLO Cc1c(Cl)cnn1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000797417177 586126126 /nfs/dbraw/zinc/12/61/26/586126126.db2.gz MYRRAZNWEWAHMP-VIFPVBQESA-N 1 2 239.750 2.700 20 0 BFADLO Cc1c(Cl)cnn1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000797417177 586126127 /nfs/dbraw/zinc/12/61/27/586126127.db2.gz MYRRAZNWEWAHMP-VIFPVBQESA-N 1 2 239.750 2.700 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cn2ncsc2=S)C1 ZINC000797420208 586126974 /nfs/dbraw/zinc/12/69/74/586126974.db2.gz ZGSATWZGLJFWQY-MRVPVSSYSA-N 1 2 241.385 2.530 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cn2ncsc2=S)C1 ZINC000797420208 586126975 /nfs/dbraw/zinc/12/69/75/586126975.db2.gz ZGSATWZGLJFWQY-MRVPVSSYSA-N 1 2 241.385 2.530 20 0 BFADLO CC1=CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000798090614 586136738 /nfs/dbraw/zinc/13/67/38/586136738.db2.gz SWKNPFRTMHTOTF-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC1=CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000798090614 586136739 /nfs/dbraw/zinc/13/67/39/586136739.db2.gz SWKNPFRTMHTOTF-UHFFFAOYSA-N 1 2 218.300 2.704 20 0 BFADLO CC(C)(C)CCCO[NH+]=C(N)Cc1cccnc1 ZINC000799175787 586165181 /nfs/dbraw/zinc/16/51/81/586165181.db2.gz PYMLVQAAXKLHGN-UHFFFAOYSA-N 1 2 249.358 2.949 20 0 BFADLO CC(C)c1ncc(C[N@H+](C)C/C=C/Cl)cn1 ZINC000799334192 586171866 /nfs/dbraw/zinc/17/18/66/586171866.db2.gz HSUHHZNFORLXCM-SNAWJCMRSA-N 1 2 239.750 2.784 20 0 BFADLO CC(C)c1ncc(C[N@@H+](C)C/C=C/Cl)cn1 ZINC000799334192 586171867 /nfs/dbraw/zinc/17/18/67/586171867.db2.gz HSUHHZNFORLXCM-SNAWJCMRSA-N 1 2 239.750 2.784 20 0 BFADLO CCCC[C@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000800275840 586208425 /nfs/dbraw/zinc/20/84/25/586208425.db2.gz FHBGZKJLMHESFM-LBPRGKRZSA-N 1 2 238.331 2.643 20 0 BFADLO OCCOc1ccc([NH2+][C@@H]2CCC23CCC3)cc1 ZINC000800487245 586222836 /nfs/dbraw/zinc/22/28/36/586222836.db2.gz ANAQVRGETSEZIX-CQSZACIVSA-N 1 2 247.338 2.802 20 0 BFADLO CC(C)SCCO[NH+]=C(N)c1ccccc1 ZINC000800868179 586234380 /nfs/dbraw/zinc/23/43/80/586234380.db2.gz UWECZMDWISNUMX-UHFFFAOYSA-N 1 2 238.356 2.675 20 0 BFADLO FC(F)O[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000801990929 586285159 /nfs/dbraw/zinc/28/51/59/586285159.db2.gz DNTLKZVDAUXYJV-ZAXDUSRUSA-N 1 2 246.084 2.619 20 0 BFADLO FC(F)O[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000801990929 586285161 /nfs/dbraw/zinc/28/51/61/586285161.db2.gz DNTLKZVDAUXYJV-ZAXDUSRUSA-N 1 2 246.084 2.619 20 0 BFADLO Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1cocn1 ZINC000806153317 586406127 /nfs/dbraw/zinc/40/61/27/586406127.db2.gz MUPWATKCPZRGIM-SNVBAGLBSA-N 1 2 249.701 2.500 20 0 BFADLO CC1(CC(=O)OCc2cc[nH+]c(N)c2)CCCC1 ZINC000808621273 586480479 /nfs/dbraw/zinc/48/04/79/586480479.db2.gz GHHFVSIIIQSZPA-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CCCCCC[N@@H+]1CCOCC(F)(F)C1 ZINC000808783838 586490447 /nfs/dbraw/zinc/49/04/47/586490447.db2.gz JKKULVWNAAUBSB-UHFFFAOYSA-N 1 2 221.291 2.534 20 0 BFADLO COc1cc(C)c([NH2+]CCC2(O)CC2)c(C)c1C ZINC000809192542 586500137 /nfs/dbraw/zinc/50/01/37/586500137.db2.gz PTHYIIIDASFYIZ-UHFFFAOYSA-N 1 2 249.354 2.947 20 0 BFADLO C[C@H]1CC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714152 586514265 /nfs/dbraw/zinc/51/42/65/586514265.db2.gz AAQSBOYAYBYZFI-SMDDNHRTSA-N 1 2 235.327 2.658 20 0 BFADLO c1nc(N2CCCCCCC2)cc(NC2CC2)[nH+]1 ZINC000840233803 586561539 /nfs/dbraw/zinc/56/15/39/586561539.db2.gz JCMYWTKGHRFJTC-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO c1nc(NC2CC2)cc(N2CCCCCCC2)[nH+]1 ZINC000840233803 586561540 /nfs/dbraw/zinc/56/15/40/586561540.db2.gz JCMYWTKGHRFJTC-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO O=C(CCCC1CC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000812542535 586578716 /nfs/dbraw/zinc/57/87/16/586578716.db2.gz FSHUOULNPOXESU-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1ccc(CNc2cc(N(C)C)nc[nH+]2)s1 ZINC000813355063 586600948 /nfs/dbraw/zinc/60/09/48/586600948.db2.gz WWCBLLQSYMEHCR-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1ccc(CNc2cc(N(C)C)[nH+]cn2)s1 ZINC000813355063 586600949 /nfs/dbraw/zinc/60/09/49/586600949.db2.gz WWCBLLQSYMEHCR-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc([NH2+][C@@H]2C[C@H](C)[C@@H]2C)ccc1OCCO ZINC000813867195 586608302 /nfs/dbraw/zinc/60/83/02/586608302.db2.gz NKJOZOCBEHTOOY-VHRBIJSZSA-N 1 2 249.354 2.823 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OC3COC3)cc2)[C@H]1C ZINC000813868652 586608464 /nfs/dbraw/zinc/60/84/64/586608464.db2.gz IWQHDBZCBGWTNS-JRPNMDOOSA-N 1 2 247.338 2.921 20 0 BFADLO Clc1ccc(COc2cc[nH+]cc2)cn1 ZINC000814266032 586620962 /nfs/dbraw/zinc/62/09/62/586620962.db2.gz UZYCQDYWOCMCMV-UHFFFAOYSA-N 1 2 220.659 2.709 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)o1 ZINC000815164011 586672299 /nfs/dbraw/zinc/67/22/99/586672299.db2.gz YCTRLRIIYBKPSC-ZJUUUORDSA-N 1 2 208.305 2.638 20 0 BFADLO CC(C)c1cnc(C[N@H+]2C[C@@H](C)[C@@H]2C)o1 ZINC000815164011 586672301 /nfs/dbraw/zinc/67/23/01/586672301.db2.gz YCTRLRIIYBKPSC-ZJUUUORDSA-N 1 2 208.305 2.638 20 0 BFADLO CC(C)(CC(=O)OCc1cc[nH+]c(N)c1)C1CC1 ZINC000815470909 586685175 /nfs/dbraw/zinc/68/51/75/586685175.db2.gz NZYREDLOUBKLMP-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000815585545 586688336 /nfs/dbraw/zinc/68/83/36/586688336.db2.gz KMCCTIKRPROPFV-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO C[C@H]1C[N@H+](Cc2occc2Br)[C@H]1C ZINC000816648891 586747964 /nfs/dbraw/zinc/74/79/64/586747964.db2.gz QJQGMZRWFMZZJM-YUMQZZPRSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@H]1C[N@@H+](Cc2occc2Br)[C@H]1C ZINC000816648891 586747966 /nfs/dbraw/zinc/74/79/66/586747966.db2.gz QJQGMZRWFMZZJM-YUMQZZPRSA-N 1 2 244.132 2.882 20 0 BFADLO CC(C)c1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816840124 586767914 /nfs/dbraw/zinc/76/79/14/586767914.db2.gz BNDYZWSXXRFKPD-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1cccc([C@@H]([NH2+][C@H]2CCOC2=O)C(C)C)c1 ZINC000859850542 589066888 /nfs/dbraw/zinc/06/68/88/589066888.db2.gz PNHYAPXVAYZLEF-KBPBESRZSA-N 1 2 247.338 2.597 20 0 BFADLO c1ccc(N[C@H]2CCc3cccnc3CC2)[nH+]c1 ZINC000817580935 586812666 /nfs/dbraw/zinc/81/26/66/586812666.db2.gz NWXNFZKROOZBLI-ZDUSSCGKSA-N 1 2 239.322 2.836 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCOC1=O)c1cc(C)ccc1C ZINC000859935826 589072428 /nfs/dbraw/zinc/07/24/28/589072428.db2.gz ZJJVGONGWLEJJR-UONOGXRCSA-N 1 2 247.338 2.660 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccns2)o1 ZINC000860058598 589077672 /nfs/dbraw/zinc/07/76/72/589077672.db2.gz NLWCCDTXPDYZAC-BDAKNGLRSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@H]1C[NH+]=C(NC(=O)CCC2CCCC2)S1 ZINC000819760759 586990424 /nfs/dbraw/zinc/99/04/24/586990424.db2.gz RTWQFIKXQAFOIS-VIFPVBQESA-N 1 2 240.372 2.564 20 0 BFADLO C[C@H](CC(C)(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819783218 586994941 /nfs/dbraw/zinc/99/49/41/586994941.db2.gz RKWSCVPPQQNNCH-RKDXNWHRSA-N 1 2 242.388 2.666 20 0 BFADLO C[C@@H](Nc1nc2c(cccc2F)o1)c1[nH]cc[nH+]1 ZINC000820591008 587057294 /nfs/dbraw/zinc/05/72/94/587057294.db2.gz ABIZJONJMLTFNO-SSDOTTSWSA-N 1 2 246.245 2.863 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000821134609 587097391 /nfs/dbraw/zinc/09/73/91/587097391.db2.gz GYUHHVUPXDAXKN-GFCCVEGCSA-N 1 2 234.343 2.885 20 0 BFADLO CCCc1ccccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000821727255 587135655 /nfs/dbraw/zinc/13/56/55/587135655.db2.gz CHHITPPYDJZBLD-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)(C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822323340 587162227 /nfs/dbraw/zinc/16/22/27/587162227.db2.gz FSLNEKWOJLMORX-UHFFFAOYSA-N 1 2 238.331 2.797 20 0 BFADLO FC(F)CC1C[NH+](Cc2cccnc2Cl)C1 ZINC000822520583 587172950 /nfs/dbraw/zinc/17/29/50/587172950.db2.gz HOVNONDTSCQEKT-UHFFFAOYSA-N 1 2 246.688 2.822 20 0 BFADLO Clc1ccc2nc(C[NH+]3CC4(CC4)C3)cn2c1 ZINC000824533553 587273842 /nfs/dbraw/zinc/27/38/42/587273842.db2.gz HTQXFHUBKZUFBM-UHFFFAOYSA-N 1 2 247.729 2.584 20 0 BFADLO Cc1cccc(C[NH2+][C@@H]2CCn3ccnc32)c1F ZINC000824533421 587274117 /nfs/dbraw/zinc/27/41/17/587274117.db2.gz FDYKQQUXQQNHIT-GFCCVEGCSA-N 1 2 245.301 2.565 20 0 BFADLO Cc1cccc(C[NH2+][C@H]2CCn3ccnc32)c1F ZINC000824533423 587274407 /nfs/dbraw/zinc/27/44/07/587274407.db2.gz FDYKQQUXQQNHIT-LBPRGKRZSA-N 1 2 245.301 2.565 20 0 BFADLO COc1ccc(Cl)cc1C[NH2+]C(CF)CF ZINC000824555705 587276420 /nfs/dbraw/zinc/27/64/20/587276420.db2.gz WYIBSOFUWIVZKP-UHFFFAOYSA-N 1 2 249.688 2.746 20 0 BFADLO Fc1c(C[N@@H+]2CC[C@H]2C2CC2)ccnc1Cl ZINC000824654491 587281468 /nfs/dbraw/zinc/28/14/68/587281468.db2.gz OTPLKJSYHGIFPM-JTQLQIEISA-N 1 2 240.709 2.858 20 0 BFADLO Fc1c(C[N@H+]2CC[C@H]2C2CC2)ccnc1Cl ZINC000824654491 587281469 /nfs/dbraw/zinc/28/14/69/587281469.db2.gz OTPLKJSYHGIFPM-JTQLQIEISA-N 1 2 240.709 2.858 20 0 BFADLO CCc1ccc(C[NH2+]Cc2coc(CC)n2)o1 ZINC000825058133 587301187 /nfs/dbraw/zinc/30/11/87/587301187.db2.gz SNJZBZDYLUXOIM-UHFFFAOYSA-N 1 2 234.299 2.682 20 0 BFADLO Cc1nc(NC[C@@]2(C)CC2(Cl)Cl)cc[nH+]1 ZINC000828797652 587462433 /nfs/dbraw/zinc/46/24/33/587462433.db2.gz AMSBNQDXEXIHTF-SECBINFHSA-N 1 2 246.141 2.781 20 0 BFADLO O=C(OC1CCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831063465 587584720 /nfs/dbraw/zinc/58/47/20/587584720.db2.gz NMYHIIFJDYQRGI-LLVKDONJSA-N 1 2 249.314 2.626 20 0 BFADLO CC1(C)CC[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831601065 587622281 /nfs/dbraw/zinc/62/22/81/587622281.db2.gz UAJRLAWJPCETRI-QWRGUYRKSA-N 1 2 247.342 2.509 20 0 BFADLO COC[C@H]1CCCC[N@@H+]1C/C(Cl)=C/Cl ZINC000832615815 587669848 /nfs/dbraw/zinc/66/98/48/587669848.db2.gz GDRYCWHJYKGGEO-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO COC[C@H]1CCCC[N@H+]1C/C(Cl)=C/Cl ZINC000832615815 587669851 /nfs/dbraw/zinc/66/98/51/587669851.db2.gz GDRYCWHJYKGGEO-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO Cc1nonc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000832634817 587671211 /nfs/dbraw/zinc/67/12/11/587671211.db2.gz XCEDXPMBQJLXAK-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nonc1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000832634817 587671213 /nfs/dbraw/zinc/67/12/13/587671213.db2.gz XCEDXPMBQJLXAK-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC(C)(C)CCCC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833292712 587704718 /nfs/dbraw/zinc/70/47/18/587704718.db2.gz KSFYYPNHSSAEDZ-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCc1nc(C[NH2+][C@@H]2CCCc3occc32)co1 ZINC000834898553 587769681 /nfs/dbraw/zinc/76/96/81/587769681.db2.gz LUYSIOPPTSILJZ-GFCCVEGCSA-N 1 2 246.310 2.997 20 0 BFADLO CCC(C)(C)c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000867169386 587827595 /nfs/dbraw/zinc/82/75/95/587827595.db2.gz KNNNCYYXRYRRLK-SNVBAGLBSA-N 1 2 248.330 2.757 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836948597 587843657 /nfs/dbraw/zinc/84/36/57/587843657.db2.gz GZJYCUIJJHLNFU-WEHUKYGOSA-N 1 2 249.358 2.827 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836955708 587843703 /nfs/dbraw/zinc/84/37/03/587843703.db2.gz RWFZAVAPUGRFKA-CNQYLEGHSA-N 1 2 247.342 2.752 20 0 BFADLO CC/C(C)=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000837101542 587853734 /nfs/dbraw/zinc/85/37/34/587853734.db2.gz XYAGUXWIZHPSKD-UXBLZVDNSA-N 1 2 232.327 2.671 20 0 BFADLO Cc1cc(C)c(CNC(=O)C=C2CCCC2)c[nH+]1 ZINC000837103286 587853840 /nfs/dbraw/zinc/85/38/40/587853840.db2.gz FXNPNKPIKOUMHF-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)OCc1ccc(C)[nH+]c1C ZINC000837974734 587906644 /nfs/dbraw/zinc/90/66/44/587906644.db2.gz YADATSAZNPQMEY-DGCLKSJQSA-N 1 2 233.311 2.788 20 0 BFADLO CCOc1ccc(NCc2cn(C)c[nH+]2)c(F)c1 ZINC000842222706 588007417 /nfs/dbraw/zinc/00/74/17/588007417.db2.gz QVXQFQXNNAUSHD-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)CO1 ZINC000842691520 588052900 /nfs/dbraw/zinc/05/29/00/588052900.db2.gz ZUSFOGNTCZLXOL-FZMZJTMJSA-N 1 2 246.354 2.658 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CO1 ZINC000842691520 588052902 /nfs/dbraw/zinc/05/29/02/588052902.db2.gz ZUSFOGNTCZLXOL-FZMZJTMJSA-N 1 2 246.354 2.658 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@H+]3C)CO1 ZINC000842691518 588053029 /nfs/dbraw/zinc/05/30/29/588053029.db2.gz ZUSFOGNTCZLXOL-BXUZGUMPSA-N 1 2 246.354 2.658 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CO1 ZINC000842691518 588053033 /nfs/dbraw/zinc/05/30/33/588053033.db2.gz ZUSFOGNTCZLXOL-BXUZGUMPSA-N 1 2 246.354 2.658 20 0 BFADLO CC[NH2+]Cc1noc(CCCC[C@H](C)CC)n1 ZINC000843144964 588086505 /nfs/dbraw/zinc/08/65/05/588086505.db2.gz PXVAWZFMCYXFTN-LLVKDONJSA-N 1 2 239.363 2.938 20 0 BFADLO FC1(F)[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC000844456253 588196316 /nfs/dbraw/zinc/19/63/16/588196316.db2.gz FLIWSSIQIFZSEW-YWEGNWRLSA-N 1 2 228.069 2.502 20 0 BFADLO FC1(F)[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]21 ZINC000844456253 588196317 /nfs/dbraw/zinc/19/63/17/588196317.db2.gz FLIWSSIQIFZSEW-YWEGNWRLSA-N 1 2 228.069 2.502 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C\Cl ZINC000844474787 588198638 /nfs/dbraw/zinc/19/86/38/588198638.db2.gz QRSJTWRUSGDWEX-GQYWMQPJSA-N 1 2 247.766 2.791 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C\Cl ZINC000844474787 588198640 /nfs/dbraw/zinc/19/86/40/588198640.db2.gz QRSJTWRUSGDWEX-GQYWMQPJSA-N 1 2 247.766 2.791 20 0 BFADLO C[C@@H](CC(=O)OCCC(C)(C)C)n1cc[nH+]c1 ZINC000845282215 588225190 /nfs/dbraw/zinc/22/51/90/588225190.db2.gz USWFLUDCHBULBC-NSHDSACASA-N 1 2 238.331 2.814 20 0 BFADLO CCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283367 588225624 /nfs/dbraw/zinc/22/56/24/588225624.db2.gz VWDGSIZIZGLPAE-WDEREUQCSA-N 1 2 224.304 2.566 20 0 BFADLO CCCC(C)(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000845356969 588227742 /nfs/dbraw/zinc/22/77/42/588227742.db2.gz KOJDLVVPGRXOOA-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO O=C(/C=C/C1CCCCCC1)NCc1c[nH+]c[nH]1 ZINC000845579968 588233749 /nfs/dbraw/zinc/23/37/49/588233749.db2.gz DLXJSBBSYSFHHZ-BQYQJAHWSA-N 1 2 247.342 2.553 20 0 BFADLO O=C(C=CC1CCCCCC1)NCc1c[nH]c[nH+]1 ZINC000845579968 588233750 /nfs/dbraw/zinc/23/37/50/588233750.db2.gz DLXJSBBSYSFHHZ-BQYQJAHWSA-N 1 2 247.342 2.553 20 0 BFADLO C[C@@H](CC(=O)O[C@@H]1CCC1(C)C)n1cc[nH+]c1 ZINC000845609778 588235795 /nfs/dbraw/zinc/23/57/95/588235795.db2.gz WQKJZKFZXGRPQM-WDEREUQCSA-N 1 2 236.315 2.566 20 0 BFADLO CC[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000845853046 588247862 /nfs/dbraw/zinc/24/78/62/588247862.db2.gz XIRDTIOASQOZMN-RYUDHWBXSA-N 1 2 238.331 2.812 20 0 BFADLO CC[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC000845853045 588247968 /nfs/dbraw/zinc/24/79/68/588247968.db2.gz XIRDTIOASQOZMN-NWDGAFQWSA-N 1 2 238.331 2.812 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000846116662 588257801 /nfs/dbraw/zinc/25/78/01/588257801.db2.gz FBMBDLFHZKFIAH-QWHCGFSZSA-N 1 2 232.327 2.829 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H](F)C2)cnc1Cl ZINC000846119369 588257894 /nfs/dbraw/zinc/25/78/94/588257894.db2.gz DDJYQUODZDJGOP-NSHDSACASA-N 1 2 242.725 2.977 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H](F)C2)cnc1Cl ZINC000846119369 588257895 /nfs/dbraw/zinc/25/78/95/588257895.db2.gz DDJYQUODZDJGOP-NSHDSACASA-N 1 2 242.725 2.977 20 0 BFADLO COCCCC[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846745961 588284348 /nfs/dbraw/zinc/28/43/48/588284348.db2.gz QDLMCILSZQFVMG-LLVKDONJSA-N 1 2 235.327 2.849 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846747174 588284366 /nfs/dbraw/zinc/28/43/66/588284366.db2.gz AYCLFXIOQLZMEI-QWRGUYRKSA-N 1 2 235.327 2.847 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846748421 588284509 /nfs/dbraw/zinc/28/45/09/588284509.db2.gz PRVCLTFFLMKEST-MNOVXSKESA-N 1 2 235.327 2.704 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748423 588284536 /nfs/dbraw/zinc/28/45/36/588284536.db2.gz PRVCLTFFLMKEST-WDEREUQCSA-N 1 2 235.327 2.704 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]C[C@@H]3CCCOC3)ccc2O1 ZINC000846749736 588284917 /nfs/dbraw/zinc/28/49/17/588284917.db2.gz PSYZTJFLQCIHCP-NEPJUHHUSA-N 1 2 247.338 2.849 20 0 BFADLO Cc1ccc(NCc2nnc(C(C)C)s2)c[nH+]1 ZINC000846751148 588285356 /nfs/dbraw/zinc/28/53/56/588285356.db2.gz NNFTXRJOXDFYCS-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000846760293 588286264 /nfs/dbraw/zinc/28/62/64/588286264.db2.gz OQFIURBQXXEFQK-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000846760293 588286265 /nfs/dbraw/zinc/28/62/65/588286265.db2.gz OQFIURBQXXEFQK-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO C[N@H+](Cc1cnsn1)[C@@H]1CCc2ccccc21 ZINC000846773199 588287268 /nfs/dbraw/zinc/28/72/68/588287268.db2.gz LWHKJRXKJUVEGD-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1cnsn1)[C@@H]1CCc2ccccc21 ZINC000846773199 588287269 /nfs/dbraw/zinc/28/72/69/588287269.db2.gz LWHKJRXKJUVEGD-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO c1nsnc1C[NH+]1CCC2(CCCC2)CC1 ZINC000846808194 588289861 /nfs/dbraw/zinc/28/98/61/588289861.db2.gz XELRXORBNCUTMN-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO CC[C@@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846807904 588290163 /nfs/dbraw/zinc/29/01/63/588290163.db2.gz FZQGLCPAIOEAGJ-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846807904 588290164 /nfs/dbraw/zinc/29/01/64/588290164.db2.gz FZQGLCPAIOEAGJ-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO CCC1CCC([N@H+](C)Cc2cnsn2)CC1 ZINC000846810383 588290413 /nfs/dbraw/zinc/29/04/13/588290413.db2.gz BQXANLZGXMXFHR-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO CCC1CCC([N@@H+](C)Cc2cnsn2)CC1 ZINC000846810383 588290414 /nfs/dbraw/zinc/29/04/14/588290414.db2.gz BQXANLZGXMXFHR-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO C[N@H+](Cc1cnsn1)[C@H]1CCC(C)(C)C1 ZINC000846884072 588295206 /nfs/dbraw/zinc/29/52/06/588295206.db2.gz PNINTGJYFXDIAY-JTQLQIEISA-N 1 2 225.361 2.549 20 0 BFADLO C[N@@H+](Cc1cnsn1)[C@H]1CCC(C)(C)C1 ZINC000846884072 588295207 /nfs/dbraw/zinc/29/52/07/588295207.db2.gz PNINTGJYFXDIAY-JTQLQIEISA-N 1 2 225.361 2.549 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cccnc1Cl ZINC000107038557 588323625 /nfs/dbraw/zinc/32/36/25/588323625.db2.gz NHGCFZMMFGYGAU-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)COC1CCCCC1 ZINC000107290394 588346289 /nfs/dbraw/zinc/34/62/89/588346289.db2.gz FHRRYFLMQCUNNM-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO COc1c(C)cccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000848560320 588397894 /nfs/dbraw/zinc/39/78/94/588397894.db2.gz LGVKWSAYTYKGSA-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO CCCCCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781827 588413482 /nfs/dbraw/zinc/41/34/82/588413482.db2.gz PCKGUJUHFAZWKL-UHFFFAOYSA-N 1 2 246.310 2.990 20 0 BFADLO COc1ccc([NH2+]CC[C@@H](C)O)cc1SC ZINC000849317529 588471850 /nfs/dbraw/zinc/47/18/50/588471850.db2.gz SNQKNRKKVURZIO-SECBINFHSA-N 1 2 241.356 2.600 20 0 BFADLO COc1cc(C)c([NH2+]CC[C@@H](C)O)c(C)c1C ZINC000849317402 588472001 /nfs/dbraw/zinc/47/20/01/588472001.db2.gz WCPXQHWYORGNKH-SNVBAGLBSA-N 1 2 237.343 2.803 20 0 BFADLO Cc1c[nH]c(CNc2ccc(F)c([C@@H](C)O)c2)[nH+]1 ZINC000850296901 588535335 /nfs/dbraw/zinc/53/53/35/588535335.db2.gz ZIERJNNPVVHGLE-SECBINFHSA-N 1 2 249.289 2.523 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1COC2(CCC2)C1 ZINC000850451534 588547559 /nfs/dbraw/zinc/54/75/59/588547559.db2.gz BZWCPLCZUXDHGM-LLVKDONJSA-N 1 2 218.300 2.514 20 0 BFADLO C[C@@H](NCC(F)(F)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000850573001 588561360 /nfs/dbraw/zinc/56/13/60/588561360.db2.gz SAUTVBTXEMHJRG-MRVPVSSYSA-N 1 2 231.290 2.742 20 0 BFADLO CCCC[C@](C)(F)C(=O)Nc1ccc(N)[nH+]c1 ZINC000851631859 588611962 /nfs/dbraw/zinc/61/19/62/588611962.db2.gz YFFPLPDFQDTJJO-LBPRGKRZSA-N 1 2 239.294 2.521 20 0 BFADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnon2)cc1 ZINC000851713879 588615621 /nfs/dbraw/zinc/61/56/21/588615621.db2.gz CGPFBEVVAHOYTJ-CYBMUJFWSA-N 1 2 247.273 2.546 20 0 BFADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnon2)cc1 ZINC000851713879 588615622 /nfs/dbraw/zinc/61/56/22/588615622.db2.gz CGPFBEVVAHOYTJ-CYBMUJFWSA-N 1 2 247.273 2.546 20 0 BFADLO CC(C)c1ccc(C[N@H+](C)Cc2cnon2)cc1 ZINC000851722145 588617454 /nfs/dbraw/zinc/61/74/54/588617454.db2.gz KLPQWXWSOWRDEQ-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1ccc(C[N@@H+](C)Cc2cnon2)cc1 ZINC000851722145 588617455 /nfs/dbraw/zinc/61/74/55/588617455.db2.gz KLPQWXWSOWRDEQ-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cnon2)c1 ZINC000851732031 588619282 /nfs/dbraw/zinc/61/92/82/588619282.db2.gz HMWCSBFSFAIJTF-ZDUSSCGKSA-N 1 2 247.273 2.546 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cnon2)c1 ZINC000851732031 588619283 /nfs/dbraw/zinc/61/92/83/588619283.db2.gz HMWCSBFSFAIJTF-ZDUSSCGKSA-N 1 2 247.273 2.546 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)CCc1ccccn1 ZINC000851871621 588637084 /nfs/dbraw/zinc/63/70/84/588637084.db2.gz SUKDTBUOJPOQHR-UHFFFAOYSA-N 1 2 245.153 2.875 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)CCc1ccccn1 ZINC000851871621 588637085 /nfs/dbraw/zinc/63/70/85/588637085.db2.gz SUKDTBUOJPOQHR-UHFFFAOYSA-N 1 2 245.153 2.875 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cnon2)c(C)s1 ZINC000851898033 588641613 /nfs/dbraw/zinc/64/16/13/588641613.db2.gz RIQXGGWREAUNKA-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1F ZINC000851909627 588642423 /nfs/dbraw/zinc/64/24/23/588642423.db2.gz HCLJKOGDWUDWDD-HTQZYQBOSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1F ZINC000851909627 588642424 /nfs/dbraw/zinc/64/24/24/588642424.db2.gz HCLJKOGDWUDWDD-HTQZYQBOSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@H]1F ZINC000851909628 588643001 /nfs/dbraw/zinc/64/30/01/588643001.db2.gz HCLJKOGDWUDWDD-JGVFFNPUSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@H]1F ZINC000851909628 588643002 /nfs/dbraw/zinc/64/30/02/588643002.db2.gz HCLJKOGDWUDWDD-JGVFFNPUSA-N 1 2 226.122 2.985 20 0 BFADLO Cc1ccncc1C[N@H+](C)Cc1cccc(F)n1 ZINC000852001050 588653767 /nfs/dbraw/zinc/65/37/67/588653767.db2.gz DJHVCFPVMKSMCQ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccncc1C[N@@H+](C)Cc1cccc(F)n1 ZINC000852001050 588653768 /nfs/dbraw/zinc/65/37/68/588653768.db2.gz DJHVCFPVMKSMCQ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CSc1ccc([C@@H](C)[NH2+]Cc2cnon2)cc1 ZINC000852010832 588655090 /nfs/dbraw/zinc/65/50/90/588655090.db2.gz TZMBUKIEERWNFD-SECBINFHSA-N 1 2 249.339 2.642 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)Br)C(C)(C)C ZINC000852214178 588673151 /nfs/dbraw/zinc/67/31/51/588673151.db2.gz TUBDTEXAURRNOF-ZCFIWIBFSA-N 1 2 244.123 2.998 20 0 BFADLO C[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C[C@H](C)O1 ZINC000852587098 588692297 /nfs/dbraw/zinc/69/22/97/588692297.db2.gz RPZINIPMZQNVDA-BUDQVDAVSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C[C@H](C)O1 ZINC000852587098 588692298 /nfs/dbraw/zinc/69/22/98/588692298.db2.gz RPZINIPMZQNVDA-BUDQVDAVSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)(C)C[N@H+](CCF)CC(=O)OC(C)(C)C ZINC000852663911 588694383 /nfs/dbraw/zinc/69/43/83/588694383.db2.gz QNQFVTDVIUVKDY-UHFFFAOYSA-N 1 2 247.354 2.646 20 0 BFADLO CC(C)(C)C[N@@H+](CCF)CC(=O)OC(C)(C)C ZINC000852663911 588694384 /nfs/dbraw/zinc/69/43/84/588694384.db2.gz QNQFVTDVIUVKDY-UHFFFAOYSA-N 1 2 247.354 2.646 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000852672767 588694736 /nfs/dbraw/zinc/69/47/36/588694736.db2.gz IWVSIKHXYLQFDM-NSHDSACASA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000852672767 588694737 /nfs/dbraw/zinc/69/47/37/588694737.db2.gz IWVSIKHXYLQFDM-NSHDSACASA-N 1 2 237.372 2.550 20 0 BFADLO CCCCCC[N@H+](C)Cc1nnc(C)s1 ZINC000852746251 588699230 /nfs/dbraw/zinc/69/92/30/588699230.db2.gz KKHPQQLEBIDZHD-UHFFFAOYSA-N 1 2 227.377 2.859 20 0 BFADLO CCCCCC[N@@H+](C)Cc1nnc(C)s1 ZINC000852746251 588699231 /nfs/dbraw/zinc/69/92/31/588699231.db2.gz KKHPQQLEBIDZHD-UHFFFAOYSA-N 1 2 227.377 2.859 20 0 BFADLO FC1(F)CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000202074279 589148163 /nfs/dbraw/zinc/14/81/63/589148163.db2.gz HMIJOXHNCGGLLT-UHFFFAOYSA-N 1 2 246.688 2.966 20 0 BFADLO Cc1c[nH]c(CN2CCCc3cc(C)ccc32)[nH+]1 ZINC000862303897 589200484 /nfs/dbraw/zinc/20/04/84/589200484.db2.gz CFFPXENUTSBWBG-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO COc1cc(C[NH+]2CC3(CC3)C2)ccc1Cl ZINC000862381668 589206255 /nfs/dbraw/zinc/20/62/55/589206255.db2.gz HFCDYLFIGOQIJQ-UHFFFAOYSA-N 1 2 237.730 2.944 20 0 BFADLO Cc1[nH]c(C(=O)NC2(C)CCC(C)(C)CC2)c[nH+]1 ZINC000862967854 589249330 /nfs/dbraw/zinc/24/93/30/589249330.db2.gz YVVMMPREFNWYQE-UHFFFAOYSA-N 1 2 249.358 2.807 20 0 BFADLO COC1(C(N)=[NH+]OCCCC(C)C)CCCC1 ZINC000863477864 589291906 /nfs/dbraw/zinc/29/19/06/589291906.db2.gz ZGONONNPVJXLDF-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO CNc1ccc([NH2+]C[C@@H]2CCCOC2)cc1 ZINC000863481391 589292831 /nfs/dbraw/zinc/29/28/31/589292831.db2.gz GHFHEIKSHYPRRW-NSHDSACASA-N 1 2 220.316 2.567 20 0 BFADLO C[NH2+]c1ccc(NC[C@@H]2CCCOC2)cc1 ZINC000863481391 589292833 /nfs/dbraw/zinc/29/28/33/589292833.db2.gz GHFHEIKSHYPRRW-NSHDSACASA-N 1 2 220.316 2.567 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccc3nonc3c2)n1C ZINC000863974854 589331186 /nfs/dbraw/zinc/33/11/86/589331186.db2.gz TYONZDNPRCOSQG-UHFFFAOYSA-N 1 2 242.282 2.747 20 0 BFADLO Cc1c[nH]c(C[NH+]2CC([C@H]3CCC[C@H](C)C3)C2)n1 ZINC000864055889 589336341 /nfs/dbraw/zinc/33/63/41/589336341.db2.gz ZZGZAHPWLYWXRE-AAEUAGOBSA-N 1 2 247.386 2.976 20 0 BFADLO Cc1sc(Cn2cc[nH+]c2)nc1C(C)(C)C ZINC000864368901 589356012 /nfs/dbraw/zinc/35/60/12/589356012.db2.gz PEVKLMVJLAYOML-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000865070317 589407317 /nfs/dbraw/zinc/40/73/17/589407317.db2.gz RTNJKZIPDUGCJJ-NXEZZACHSA-N 1 2 248.326 2.711 20 0 BFADLO CC(C)(C)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376202 589428108 /nfs/dbraw/zinc/42/81/08/589428108.db2.gz DJDMJRQCUAHUJE-UHFFFAOYSA-N 1 2 224.348 2.996 20 0 BFADLO CCc1cnc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC000865376016 589428407 /nfs/dbraw/zinc/42/84/07/589428407.db2.gz VJHNMLADRJZTQG-UHFFFAOYSA-N 1 2 233.315 2.779 20 0 BFADLO Cc1ncsc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376168 589428488 /nfs/dbraw/zinc/42/84/88/589428488.db2.gz CEZDBXPVQVGULC-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO CC(C)(C)c1cn(Cc2cccc(F)n2)c[nH+]1 ZINC000865376456 589428778 /nfs/dbraw/zinc/42/87/78/589428778.db2.gz OBDLUTFYXGTVAU-UHFFFAOYSA-N 1 2 233.290 2.763 20 0 BFADLO Cc1cncc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865505968 589441526 /nfs/dbraw/zinc/44/15/26/589441526.db2.gz NQEDRGFDRLOBDH-UHFFFAOYSA-N 1 2 228.299 2.534 20 0 BFADLO CSCCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865546084 589445404 /nfs/dbraw/zinc/44/54/04/589445404.db2.gz MALLPPYGGRODLF-UHFFFAOYSA-N 1 2 239.388 2.840 20 0 BFADLO CC(C)n1ccc(NCc2cn(C3CC3)c[nH+]2)n1 ZINC000865550929 589446060 /nfs/dbraw/zinc/44/60/60/589446060.db2.gz OTARMSUDYWEGGC-UHFFFAOYSA-N 1 2 245.330 2.608 20 0 BFADLO CC1(Nc2[nH+]cnc3[nH]c(Cl)cc32)CCC1 ZINC000865640906 589453533 /nfs/dbraw/zinc/45/35/33/589453533.db2.gz QRAZMJJPXYNDSI-UHFFFAOYSA-N 1 2 236.706 2.917 20 0 BFADLO C[C@@H](O)c1ccc(N2CCC[C@@H](C3CC3)C2)[nH+]c1 ZINC000865812017 589462894 /nfs/dbraw/zinc/46/28/94/589462894.db2.gz HKJTXQCVFKTKJZ-BXUZGUMPSA-N 1 2 246.354 2.761 20 0 BFADLO c1cc(NCC[C@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000865986279 589471241 /nfs/dbraw/zinc/47/12/41/589471241.db2.gz VOKZWDUNWQKVAN-JTQLQIEISA-N 1 2 249.383 2.909 20 0 BFADLO CO[C@H]1CC[C@@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000866071999 589474818 /nfs/dbraw/zinc/47/48/18/589474818.db2.gz RTCSFNUYTFDQPM-MNOVXSKESA-N 1 2 245.326 2.567 20 0 BFADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000866240741 589482136 /nfs/dbraw/zinc/48/21/36/589482136.db2.gz MOYMENBINWPUNQ-OCCSQVGLSA-N 1 2 247.269 2.841 20 0 BFADLO CC[C@@H](C[C@@H](C)O)Nc1cc[nH+]c(C(C)C)n1 ZINC000866298609 589484631 /nfs/dbraw/zinc/48/46/31/589484631.db2.gz BDPGRKFDXGENHL-MNOVXSKESA-N 1 2 237.347 2.561 20 0 BFADLO Cc1cc(N)nc(SCSC(C)(C)C)[nH+]1 ZINC000871639886 589780632 /nfs/dbraw/zinc/78/06/32/589780632.db2.gz BLTRAPOUPPCTAY-UHFFFAOYSA-N 1 2 243.401 2.949 20 0 BFADLO CO[C@H]1C[C@@H](Cn2c[nH+]c(C(C)(C)C)c2)C1 ZINC000871680505 589789562 /nfs/dbraw/zinc/78/95/62/589789562.db2.gz ATHKTZBWXFCHFA-PHIMTYICSA-N 1 2 222.332 2.606 20 0 BFADLO CCCCCCO[NH+]=C(N)COC1CCC1 ZINC000871778418 589814103 /nfs/dbraw/zinc/81/41/03/589814103.db2.gz HWKDVFHDPHXYEX-UHFFFAOYSA-N 1 2 228.336 2.634 20 0 BFADLO NC(COC1CCC1)=[NH+]OCCCC1CCC1 ZINC000871778753 589814766 /nfs/dbraw/zinc/81/47/66/589814766.db2.gz VJEWYLUYJBTWIW-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO NC(COC1CCC1)=[NH+]OCCC1CCCC1 ZINC000871778757 589815274 /nfs/dbraw/zinc/81/52/74/589815274.db2.gz VNOFJONUFVDXKK-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO CC1(C)CO[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000872687247 589961590 /nfs/dbraw/zinc/96/15/90/589961590.db2.gz YYHMKHYDRFWJAQ-NSHDSACASA-N 1 2 247.342 2.581 20 0 BFADLO Cc1cc(NCC2(OC(C)C)CCC2)nc[nH+]1 ZINC000872706813 589963686 /nfs/dbraw/zinc/96/36/86/589963686.db2.gz JCQGTZDQYWEOGI-UHFFFAOYSA-N 1 2 235.331 2.545 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCc1ccon1 ZINC000873016258 589980011 /nfs/dbraw/zinc/98/00/11/589980011.db2.gz IDHFGQGIQFUSLX-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccon1 ZINC000873095618 589984216 /nfs/dbraw/zinc/98/42/16/589984216.db2.gz OOZAXFYKQSNNJI-UHFFFAOYSA-N 1 2 247.298 2.859 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(N)cc(F)c2)no1 ZINC000873289735 590023167 /nfs/dbraw/zinc/02/31/67/590023167.db2.gz XFQWRLDHILQYIO-SECBINFHSA-N 1 2 249.289 2.555 20 0 BFADLO CC(C)C[C@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125561 590076127 /nfs/dbraw/zinc/07/61/27/590076127.db2.gz LMWAFFYWVIXLJI-JTQLQIEISA-N 1 2 248.326 2.864 20 0 BFADLO CC(C)C[C@@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125560 590076348 /nfs/dbraw/zinc/07/63/48/590076348.db2.gz LMWAFFYWVIXLJI-SNVBAGLBSA-N 1 2 248.326 2.864 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000874442793 590110893 /nfs/dbraw/zinc/11/08/93/590110893.db2.gz TZECHYFTMCRDGV-NSHDSACASA-N 1 2 220.316 2.577 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC2(Cl)Cl)cc[nH+]1 ZINC000125723491 590185298 /nfs/dbraw/zinc/18/52/98/590185298.db2.gz OWMXFNOCXYMHGZ-MRVPVSSYSA-N 1 2 245.109 2.522 20 0 BFADLO CC1(C)CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876743665 590236472 /nfs/dbraw/zinc/23/64/72/590236472.db2.gz GVHHAZZXZFLFKB-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CC1(C)CC[N@H+]1Cc1nc(Cl)cs1 ZINC000876743665 590236473 /nfs/dbraw/zinc/23/64/73/590236473.db2.gz GVHHAZZXZFLFKB-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO Clc1csc(C[NH+]2CCCCC2)n1 ZINC000876817394 590245827 /nfs/dbraw/zinc/24/58/27/590245827.db2.gz GNKPXUMVGXIGKT-UHFFFAOYSA-N 1 2 216.737 2.782 20 0 BFADLO CN(C)c1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876837142 590248378 /nfs/dbraw/zinc/24/83/78/590248378.db2.gz GSIATKUKHDLXDF-CQSZACIVSA-N 1 2 234.343 2.734 20 0 BFADLO C[NH+](C)c1ccc(NCCC[C@@H]2CCO2)cc1 ZINC000876837142 590248380 /nfs/dbraw/zinc/24/83/80/590248380.db2.gz GSIATKUKHDLXDF-CQSZACIVSA-N 1 2 234.343 2.734 20 0 BFADLO CO[C@@H](CNc1ccc([NH+](C)C)c(C)c1)C1CC1 ZINC000876845348 590248996 /nfs/dbraw/zinc/24/89/96/590248996.db2.gz RHTXRIHYLFDPSL-HNNXBMFYSA-N 1 2 248.370 2.898 20 0 BFADLO c1cc([NH2+]CCC[C@@H]2CCO2)cc2c1OCC2 ZINC000877047325 590274313 /nfs/dbraw/zinc/27/43/13/590274313.db2.gz XBCSCGISKPAQMV-CYBMUJFWSA-N 1 2 233.311 2.603 20 0 BFADLO CSC(C)(C)CC[N@@H+]1CCC(F)(F)C1 ZINC000877140169 590291753 /nfs/dbraw/zinc/29/17/53/590291753.db2.gz AEMWZWXDKBBIFM-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CSC(C)(C)CC[N@H+]1CCC(F)(F)C1 ZINC000877140169 590291754 /nfs/dbraw/zinc/29/17/54/590291754.db2.gz AEMWZWXDKBBIFM-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO C[C@@H](O)C[N@H+](CC(F)F)CC1(C)CCCC1 ZINC000877572319 590361734 /nfs/dbraw/zinc/36/17/34/590361734.db2.gz PGDVRONQQMQTHL-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1(C)CCCC1 ZINC000877572319 590361737 /nfs/dbraw/zinc/36/17/37/590361737.db2.gz PGDVRONQQMQTHL-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CN(C)c1c[nH+]cc(NC2CC(C(F)F)C2)c1 ZINC000877668044 590389169 /nfs/dbraw/zinc/38/91/69/590389169.db2.gz MSCAQUUPRNCVNY-UHFFFAOYSA-N 1 2 241.285 2.603 20 0 BFADLO CC1(C)C[NH+](Cc2c(Cl)nc3ccccn32)C1 ZINC000877717386 590399498 /nfs/dbraw/zinc/39/94/98/590399498.db2.gz KRIHHESIQDVDTQ-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO CC(C)(C)c1cn(CCc2ccns2)c[nH+]1 ZINC000877891334 590441099 /nfs/dbraw/zinc/44/10/99/590441099.db2.gz LZGWXUVJJLLEGK-UHFFFAOYSA-N 1 2 235.356 2.880 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2ccccc2C1 ZINC000877901767 590443468 /nfs/dbraw/zinc/44/34/68/590443468.db2.gz UOCSAJSLQQGOEO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1conc1C[N@H+]1CCc2ccccc2C1 ZINC000877901767 590443469 /nfs/dbraw/zinc/44/34/69/590443469.db2.gz UOCSAJSLQQGOEO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000877932475 590450219 /nfs/dbraw/zinc/45/02/19/590450219.db2.gz RCQIDXNQPVKQRV-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000877932475 590450220 /nfs/dbraw/zinc/45/02/20/590450220.db2.gz RCQIDXNQPVKQRV-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C[NH+]2CCSCC2)nc1Cl ZINC000877967742 590460936 /nfs/dbraw/zinc/46/09/36/590460936.db2.gz QMZMGBSONKMFPL-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO Cc1conc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000878147694 590505872 /nfs/dbraw/zinc/50/58/72/590505872.db2.gz IGDXEIFSFIMJSB-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)OC1 ZINC000878321411 590545574 /nfs/dbraw/zinc/54/55/74/590545574.db2.gz QNTVIGQXYNVTIM-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)OC1 ZINC000878321411 590545575 /nfs/dbraw/zinc/54/55/75/590545575.db2.gz QNTVIGQXYNVTIM-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000878338506 590550750 /nfs/dbraw/zinc/55/07/50/590550750.db2.gz WKVSIQNTPGCNDR-VIFPVBQESA-N 1 2 229.274 2.592 20 0 BFADLO CON(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1 ZINC000878390950 590558897 /nfs/dbraw/zinc/55/88/97/590558897.db2.gz FHRSLDNITRMWOF-UHFFFAOYSA-N 1 2 245.326 2.590 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1nocc1C ZINC000878402152 590560653 /nfs/dbraw/zinc/56/06/53/590560653.db2.gz CLOSWQHITZBZNW-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1nocc1C ZINC000878402153 590560962 /nfs/dbraw/zinc/56/09/62/590560962.db2.gz CLOSWQHITZBZNW-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO C=C/C=C/CC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000878715449 590615053 /nfs/dbraw/zinc/61/50/53/590615053.db2.gz ONTAZRHPFXKHBV-SNAWJCMRSA-N 1 2 233.315 2.511 20 0 BFADLO C=C/C=C/CC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000878715449 590615055 /nfs/dbraw/zinc/61/50/55/590615055.db2.gz ONTAZRHPFXKHBV-SNAWJCMRSA-N 1 2 233.315 2.511 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790959 590623422 /nfs/dbraw/zinc/62/34/22/590623422.db2.gz ZDDSCYAYVBGINU-UHFFFAOYSA-N 1 2 228.748 2.780 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC=C(Cl)C1 ZINC000878790959 590623423 /nfs/dbraw/zinc/62/34/23/590623423.db2.gz ZDDSCYAYVBGINU-UHFFFAOYSA-N 1 2 228.748 2.780 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC=C(Cl)C2)s1 ZINC000878792139 590623469 /nfs/dbraw/zinc/62/34/69/590623469.db2.gz WVGCTQKWUQTIOQ-UHFFFAOYSA-N 1 2 228.748 2.780 20 0 BFADLO Cc1ncc(C[N@H+]2CCC=C(Cl)C2)s1 ZINC000878792139 590623471 /nfs/dbraw/zinc/62/34/71/590623471.db2.gz WVGCTQKWUQTIOQ-UHFFFAOYSA-N 1 2 228.748 2.780 20 0 BFADLO Cc1conc1C[NH2+][C@H](C)c1cnc(C)s1 ZINC000879252672 590720884 /nfs/dbraw/zinc/72/08/84/590720884.db2.gz XSNJQCWGHWDCHP-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477217 590777396 /nfs/dbraw/zinc/77/73/96/590777396.db2.gz FEDLLBKZWHZTRQ-AWEZNQCLSA-N 1 2 235.302 2.536 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477217 590777399 /nfs/dbraw/zinc/77/73/99/590777399.db2.gz FEDLLBKZWHZTRQ-AWEZNQCLSA-N 1 2 235.302 2.536 20 0 BFADLO CC(=O)C[N@@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879768313 590866043 /nfs/dbraw/zinc/86/60/43/590866043.db2.gz ASLIRTZDPYVURK-UHFFFAOYSA-N 1 2 237.730 2.596 20 0 BFADLO CC(=O)C[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC000879768313 590866046 /nfs/dbraw/zinc/86/60/46/590866046.db2.gz ASLIRTZDPYVURK-UHFFFAOYSA-N 1 2 237.730 2.596 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000880085902 590922047 /nfs/dbraw/zinc/92/20/47/590922047.db2.gz GAQJMUZIVIGMNX-JTNHKYCSSA-N 1 2 249.358 2.803 20 0 BFADLO FC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000880240584 590973669 /nfs/dbraw/zinc/97/36/69/590973669.db2.gz FSUIIGNCRHBALD-ALCCZGGFSA-N 1 2 212.095 2.739 20 0 BFADLO FC[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000880298850 590992119 /nfs/dbraw/zinc/99/21/19/590992119.db2.gz KUZCPVNHAZLTKX-ZETCQYMHSA-N 1 2 234.727 2.588 20 0 BFADLO FC[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000880298850 590992121 /nfs/dbraw/zinc/99/21/21/590992121.db2.gz KUZCPVNHAZLTKX-ZETCQYMHSA-N 1 2 234.727 2.588 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000880657101 591119873 /nfs/dbraw/zinc/11/98/73/591119873.db2.gz QMBAZEDHQBFMMH-BXUZGUMPSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000880657101 591119876 /nfs/dbraw/zinc/11/98/76/591119876.db2.gz QMBAZEDHQBFMMH-BXUZGUMPSA-N 1 2 249.358 2.585 20 0 BFADLO CCC1CCN(c2nc[nH+]c(C)c2C)CC1 ZINC000881830938 591273725 /nfs/dbraw/zinc/27/37/25/591273725.db2.gz JQIVMLAAXKKQFL-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1occc1CNc1nc[nH+]c(C)c1C ZINC000881838267 591273762 /nfs/dbraw/zinc/27/37/62/591273762.db2.gz LHCWBFCTZZYNBW-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H](c3ccco3)C2)c1C ZINC000881963872 591284398 /nfs/dbraw/zinc/28/43/98/591284398.db2.gz ILYZVWROQWRONF-LBPRGKRZSA-N 1 2 243.310 2.680 20 0 BFADLO Cc1[nH+]cnc(NCC2CCSCC2)c1C ZINC000881981589 591285357 /nfs/dbraw/zinc/28/53/57/591285357.db2.gz LMECLMAZZGDVGP-UHFFFAOYSA-N 1 2 237.372 2.649 20 0 BFADLO C[C@H](O)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881983580 591285557 /nfs/dbraw/zinc/28/55/57/591285557.db2.gz HZYUGALDSZKYJV-VIFPVBQESA-N 1 2 234.274 2.557 20 0 BFADLO Cc1[nH+]cnc(NCCCC(F)(F)F)c1C ZINC000882037915 591290830 /nfs/dbraw/zinc/29/08/30/591290830.db2.gz QHRBEIZUHYDBOB-UHFFFAOYSA-N 1 2 233.237 2.848 20 0 BFADLO CCOCCC1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882125710 591301406 /nfs/dbraw/zinc/30/14/06/591301406.db2.gz MIQGJYNSNNZJED-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCCSC2)c1C ZINC000882375279 591340107 /nfs/dbraw/zinc/34/01/07/591340107.db2.gz MRVCOOJPFXNYHH-NSHDSACASA-N 1 2 237.372 2.649 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@@H](C3CCC3)C2)c1C ZINC000882467369 591352725 /nfs/dbraw/zinc/35/27/25/591352725.db2.gz ZVRHHIULUPYRTN-CYBMUJFWSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1cc(CNc2ncnc(C)c2C)cc(C)[nH+]1 ZINC000882469177 591353266 /nfs/dbraw/zinc/35/32/66/591353266.db2.gz MCLWZAWEXVCLBP-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO Cc1[nH+]cnc(NC[C@H](C)CC(F)F)c1C ZINC000882513577 591380992 /nfs/dbraw/zinc/38/09/92/591380992.db2.gz MNCXRMGQQCUXFW-SSDOTTSWSA-N 1 2 229.274 2.797 20 0 BFADLO Cc1[nH+]cnc(NCC2CC(C)C2)c1C ZINC000882645822 591405975 /nfs/dbraw/zinc/40/59/75/591405975.db2.gz PDEFLMRGBVGQEC-UHFFFAOYSA-N 1 2 205.305 2.551 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2C[C@H](OC(C)(C)C)C2)c1C ZINC000882639836 591406260 /nfs/dbraw/zinc/40/62/60/591406260.db2.gz SKKNISVTQBEBDE-HAQNSBGRSA-N 1 2 249.358 2.851 20 0 BFADLO Cc1[nH+]cnc(NCC2(OC(C)C)CCC2)c1C ZINC000882715903 591419572 /nfs/dbraw/zinc/41/95/72/591419572.db2.gz TZZHUHWEIZZQSB-UHFFFAOYSA-N 1 2 249.358 2.853 20 0 BFADLO OCc1cc[nH+]c(NCC2(CC3CC3)CC2)c1 ZINC000882773663 591435672 /nfs/dbraw/zinc/43/56/72/591435672.db2.gz ZFNSLQWJGXJULU-UHFFFAOYSA-N 1 2 232.327 2.566 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](CF)C1 ZINC000882801876 591443432 /nfs/dbraw/zinc/44/34/32/591443432.db2.gz GXZUNVCXMRBQKA-LLVKDONJSA-N 1 2 247.317 2.759 20 0 BFADLO FC[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000882801587 591443736 /nfs/dbraw/zinc/44/37/36/591443736.db2.gz VEICHZYDEMGKCT-NSHDSACASA-N 1 2 245.301 2.816 20 0 BFADLO Cc1nc(N2CCC(F)CC2)c2c([nH+]1)CCCC2 ZINC000882806690 591445607 /nfs/dbraw/zinc/44/56/07/591445607.db2.gz MUXTUVIXPUWMNK-UHFFFAOYSA-N 1 2 249.333 2.602 20 0 BFADLO FC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000882807251 591445721 /nfs/dbraw/zinc/44/57/21/591445721.db2.gz NJLOSEYDCZLHGP-UHFFFAOYSA-N 1 2 219.263 2.501 20 0 BFADLO CC[C@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213237528 591455380 /nfs/dbraw/zinc/45/53/80/591455380.db2.gz MIMQCBASANNOCO-AAEUAGOBSA-N 1 2 234.343 2.904 20 0 BFADLO CCCNc1cc(N(C)Cc2ccoc2)nc[nH+]1 ZINC000130281233 591455420 /nfs/dbraw/zinc/45/54/20/591455420.db2.gz TVQOYHVIYOSQEN-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO CCCNc1cc(N(C)Cc2ccoc2)[nH+]cn1 ZINC000130281233 591455424 /nfs/dbraw/zinc/45/54/24/591455424.db2.gz TVQOYHVIYOSQEN-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO CC(C)c1c[nH]c(CNc2ccccc2CO)[nH+]1 ZINC000883051908 591529285 /nfs/dbraw/zinc/52/92/85/591529285.db2.gz SIEWQDKNPBVITC-UHFFFAOYSA-N 1 2 245.326 2.638 20 0 BFADLO CCC(F)(F)CNCc1[nH]cc(C(C)C)[nH+]1 ZINC000883188484 591566425 /nfs/dbraw/zinc/56/64/25/591566425.db2.gz KXHGYSBUDFKZKW-UHFFFAOYSA-N 1 2 231.290 2.668 20 0 BFADLO Cc1ccoc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883307608 591610477 /nfs/dbraw/zinc/61/04/77/591610477.db2.gz XTTQWLJTBGBNSX-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO Cc1ccc(C[NH2+]C2(c3ncccn3)CCC2)o1 ZINC000883307939 591610776 /nfs/dbraw/zinc/61/07/76/591610776.db2.gz DQYCQPRARZLOPN-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO COc1cccc(CNc2c[nH+]c(C)c(C)c2)n1 ZINC000883341710 591617815 /nfs/dbraw/zinc/61/78/15/591617815.db2.gz XZMOQKAKCZYBKQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1cc(N[C@@H](C)c2cnccn2)c[nH+]c1C ZINC000883340907 591620156 /nfs/dbraw/zinc/62/01/56/591620156.db2.gz CERBOCILSSNHBI-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342162 591621265 /nfs/dbraw/zinc/62/12/65/591621265.db2.gz MNZARDNDGBVNCA-WDEREUQCSA-N 1 2 208.305 2.534 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342435 591622388 /nfs/dbraw/zinc/62/23/88/591622388.db2.gz XPUIAPXYXPCCPU-SNVBAGLBSA-N 1 2 230.315 2.903 20 0 BFADLO COC[C@H](C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000131817812 591665979 /nfs/dbraw/zinc/66/59/79/591665979.db2.gz QCBZQOSRGNTOQB-CYBMUJFWSA-N 1 2 248.370 2.981 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000131817812 591665984 /nfs/dbraw/zinc/66/59/84/591665984.db2.gz QCBZQOSRGNTOQB-CYBMUJFWSA-N 1 2 248.370 2.981 20 0 BFADLO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ccon1 ZINC000883463407 591673575 /nfs/dbraw/zinc/67/35/75/591673575.db2.gz OXPWOWDMVAUSFY-CYBMUJFWSA-N 1 2 243.310 2.710 20 0 BFADLO CCc1nc(N2CC(C3CCCC3)C2)cc[nH+]1 ZINC000884493932 591956164 /nfs/dbraw/zinc/95/61/64/591956164.db2.gz GVFPTHKFBVSNHM-UHFFFAOYSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(NC[C@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000884495202 591956215 /nfs/dbraw/zinc/95/62/15/591956215.db2.gz OAMSLOAGMMVHOC-VIFPVBQESA-N 1 2 241.285 2.886 20 0 BFADLO Cc1cnc(NCCCc2cccc(C)[nH+]2)o1 ZINC000884504645 591960463 /nfs/dbraw/zinc/96/04/63/591960463.db2.gz NUFCXVJWJRLLHY-UHFFFAOYSA-N 1 2 231.299 2.731 20 0 BFADLO CCc1nc(N2CCC[C@H](C3CC3)C2)cc[nH+]1 ZINC000884509669 591960921 /nfs/dbraw/zinc/96/09/21/591960921.db2.gz MEJBEAOJRSYZIR-LBPRGKRZSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(N2CC(C)(C)[C@@H]2C2CC2)cc[nH+]1 ZINC000884511441 591960930 /nfs/dbraw/zinc/96/09/30/591960930.db2.gz GXRLSIZZDGBORY-ZDUSSCGKSA-N 1 2 231.343 2.664 20 0 BFADLO CCc1nc(N2C[C@@H](C3CC3)[C@H]2C2CC2)cc[nH+]1 ZINC000884522210 591964657 /nfs/dbraw/zinc/96/46/57/591964657.db2.gz ROPYQIHSACLIJM-SWLSCSKDSA-N 1 2 243.354 2.664 20 0 BFADLO Cc1cnc(NCCCc2[nH+]cccc2C)o1 ZINC000884521203 591965082 /nfs/dbraw/zinc/96/50/82/591965082.db2.gz QBSIGPAJOWJLRG-UHFFFAOYSA-N 1 2 231.299 2.731 20 0 BFADLO CCc1nc(NCCOC(C)(C)CC)cc[nH+]1 ZINC000884527516 591966928 /nfs/dbraw/zinc/96/69/28/591966928.db2.gz SUYIHYYHKHDHHK-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000884528467 591968128 /nfs/dbraw/zinc/96/81/28/591968128.db2.gz PQNRZNINWJEOMO-OUAUKWLOSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1nc(N[C@@H](C)[C@@](C)(OC)C2CC2)cc[nH+]1 ZINC000884530951 591968570 /nfs/dbraw/zinc/96/85/70/591968570.db2.gz YUZSMSUFCJETEO-IINYFYTJSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1nc(N[C@@H](C)[C@](C)(OC)C2CC2)cc[nH+]1 ZINC000884530950 591969012 /nfs/dbraw/zinc/96/90/12/591969012.db2.gz YUZSMSUFCJETEO-HZMBPMFUSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1nc(N2CC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000884541830 591972831 /nfs/dbraw/zinc/97/28/31/591972831.db2.gz OZBIQERQXIUUCO-RYUDHWBXSA-N 1 2 231.343 2.808 20 0 BFADLO CCc1nc(N2CCC[C@@H](CCF)C2)cc[nH+]1 ZINC000884557566 591978061 /nfs/dbraw/zinc/97/80/61/591978061.db2.gz SDPAHCSDVHDVMU-NSHDSACASA-N 1 2 237.322 2.615 20 0 BFADLO CCc1nc(NCCC(C)(C)F)cc[nH+]1 ZINC000884557583 591978458 /nfs/dbraw/zinc/97/84/58/591978458.db2.gz SMCZRJHHJQZQCU-UHFFFAOYSA-N 1 2 211.284 2.589 20 0 BFADLO CCc1nc(NCC[C@@H]2CCSC2)cc[nH+]1 ZINC000884568543 591983089 /nfs/dbraw/zinc/98/30/89/591983089.db2.gz NMAMPHIHOJRLMW-SNVBAGLBSA-N 1 2 237.372 2.594 20 0 BFADLO CCc1nc(NC[C@@H]2CCC(C)(C)CO2)cc[nH+]1 ZINC000884580736 591986295 /nfs/dbraw/zinc/98/62/95/591986295.db2.gz KIWQEJZDHOGTDE-NSHDSACASA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(NCC[C@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000884675258 592009175 /nfs/dbraw/zinc/00/91/75/592009175.db2.gz XLFKFZRPTLDQSF-NSHDSACASA-N 1 2 249.358 2.656 20 0 BFADLO COC[C@H]([NH2+]Cc1cc(C)co1)c1ccc(C)o1 ZINC000886007912 592129281 /nfs/dbraw/zinc/12/92/81/592129281.db2.gz BUKKIJGDQIYKAG-ZDUSSCGKSA-N 1 2 249.310 2.967 20 0 BFADLO COC[C@@H]([NH2+]Cc1cc(C)co1)c1ccco1 ZINC000886008855 592129897 /nfs/dbraw/zinc/12/98/97/592129897.db2.gz VWJWKKUSAULHAA-GFCCVEGCSA-N 1 2 235.283 2.658 20 0 BFADLO Cc1n[nH]c(CNc2ccc(C)[nH+]c2C)c1C ZINC000886042277 592139317 /nfs/dbraw/zinc/13/93/17/592139317.db2.gz YIOAABOISWOHOZ-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO Cc1[nH]nc(CNc2ccc(C)[nH+]c2C)c1C ZINC000886042277 592139318 /nfs/dbraw/zinc/13/93/18/592139318.db2.gz YIOAABOISWOHOZ-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886093974 592147155 /nfs/dbraw/zinc/14/71/55/592147155.db2.gz LDPUIBNIJMWKMC-SRVKXCTJSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886093974 592147156 /nfs/dbraw/zinc/14/71/56/592147156.db2.gz LDPUIBNIJMWKMC-SRVKXCTJSA-N 1 2 245.313 2.674 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2cc(C)co2)o1 ZINC000886136314 592160376 /nfs/dbraw/zinc/16/03/76/592160376.db2.gz KWBWHRZKZSYILP-UHFFFAOYSA-N 1 2 234.299 2.818 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ncco1 ZINC000886275944 592195507 /nfs/dbraw/zinc/19/55/07/592195507.db2.gz RHKYRXVIADAKJQ-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ncco1 ZINC000886275496 592195739 /nfs/dbraw/zinc/19/57/39/592195739.db2.gz AUVDPFCMFPVHFW-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCc2cccnc21 ZINC000886579519 592269430 /nfs/dbraw/zinc/26/94/30/592269430.db2.gz WOFKYTPLUOXGIM-LLVKDONJSA-N 1 2 241.294 2.585 20 0 BFADLO FC(F)C[N@H+](CC[C@H]1CCCO1)C1CCC1 ZINC000887102168 592443394 /nfs/dbraw/zinc/44/33/94/592443394.db2.gz GBBIFSOYNBOFAU-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](CC[C@H]1CCCO1)C1CCC1 ZINC000887102168 592443396 /nfs/dbraw/zinc/44/33/96/592443396.db2.gz GBBIFSOYNBOFAU-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO C[N@H+](CCCF)Cc1noc(-c2ccccc2)n1 ZINC000887137692 592452642 /nfs/dbraw/zinc/45/26/42/592452642.db2.gz QAVZYIWAFBRUOA-UHFFFAOYSA-N 1 2 249.289 2.528 20 0 BFADLO C[N@@H+](CCCF)Cc1noc(-c2ccccc2)n1 ZINC000887137692 592452644 /nfs/dbraw/zinc/45/26/44/592452644.db2.gz QAVZYIWAFBRUOA-UHFFFAOYSA-N 1 2 249.289 2.528 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000887877404 592556261 /nfs/dbraw/zinc/55/62/61/592556261.db2.gz BZRFAWIENGNJPF-KWQFWETISA-N 1 2 233.315 2.571 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCc3cccnc32)s1 ZINC000236003918 635593067 /nfs/dbraw/zinc/59/30/67/635593067.db2.gz OLKOPJVPEFCSGK-LLVKDONJSA-N 1 2 245.351 2.624 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccccc2Cl)C1 ZINC000084376895 631439249 /nfs/dbraw/zinc/43/92/49/631439249.db2.gz QDFAVDPDXSCGPT-UHFFFAOYSA-N 1 2 239.746 2.543 20 0 BFADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]1CO ZINC000934025242 631600903 /nfs/dbraw/zinc/60/09/03/631600903.db2.gz CPCABSSCSLEOLD-WCBMZHEXSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]1CO ZINC000934025242 631600910 /nfs/dbraw/zinc/60/09/10/631600910.db2.gz CPCABSSCSLEOLD-WCBMZHEXSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000934017889 631613908 /nfs/dbraw/zinc/61/39/08/631613908.db2.gz TUFLOYOOWMZTKU-SNVBAGLBSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000934017889 631613911 /nfs/dbraw/zinc/61/39/11/631613911.db2.gz TUFLOYOOWMZTKU-SNVBAGLBSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1Cl ZINC000934017888 631614876 /nfs/dbraw/zinc/61/48/76/631614876.db2.gz TUFLOYOOWMZTKU-JTQLQIEISA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1Cl ZINC000934017888 631614881 /nfs/dbraw/zinc/61/48/81/631614881.db2.gz TUFLOYOOWMZTKU-JTQLQIEISA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000934017896 631615220 /nfs/dbraw/zinc/61/52/20/631615220.db2.gz IQZBGODUMZDXKM-LLVKDONJSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000934017896 631615223 /nfs/dbraw/zinc/61/52/23/631615223.db2.gz IQZBGODUMZDXKM-LLVKDONJSA-N 1 2 246.137 2.560 20 0 BFADLO CC[NH2+]Cc1noc(CCC2CCCCC2)n1 ZINC000051860762 631971762 /nfs/dbraw/zinc/97/17/62/631971762.db2.gz VMYPPMKXCYJYTC-UHFFFAOYSA-N 1 2 237.347 2.692 20 0 BFADLO CC(C)=CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000309368825 632024031 /nfs/dbraw/zinc/02/40/31/632024031.db2.gz BPMCQMOPVSALGG-LLVKDONJSA-N 1 2 227.348 2.663 20 0 BFADLO Cc1cccc(F)c1C[NH2+]Cc1nccs1 ZINC000309692879 632652429 /nfs/dbraw/zinc/65/24/29/632652429.db2.gz KCNFDBGIBOHUDT-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO Oc1cccc(/C=[NH+]/C[C@H]2CC=CCC2)c1O ZINC000065999110 632818569 /nfs/dbraw/zinc/81/85/69/632818569.db2.gz RSFRIGIEKDJZSA-KBVGCWLLSA-N 1 2 231.295 2.873 20 0 BFADLO CC[C@@H](COC)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892622904 633022068 /nfs/dbraw/zinc/02/20/68/633022068.db2.gz UYJXCHGBLSVKMZ-LBPRGKRZSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000924592590 633127339 /nfs/dbraw/zinc/12/73/39/633127339.db2.gz SKJLCVHYSKUHOU-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC1C[NH+](Cc2csc(Br)c2)C1 ZINC000307471924 635988403 /nfs/dbraw/zinc/98/84/03/635988403.db2.gz QDCJWPPJCYLDPQ-UHFFFAOYSA-N 1 2 246.173 2.962 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2csnn2)s1 ZINC000049160107 636030018 /nfs/dbraw/zinc/03/00/18/636030018.db2.gz ZWHCULWJDQBRNB-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@H](O)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892936610 633737957 /nfs/dbraw/zinc/73/79/57/633737957.db2.gz IHHXREXNRPWRRF-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccnc(Cl)c1 ZINC000309797131 633751253 /nfs/dbraw/zinc/75/12/53/633751253.db2.gz QKTJNPXJQINNDC-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000295138203 633847581 /nfs/dbraw/zinc/84/75/81/633847581.db2.gz LXTGYGZPVZWGNI-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000295138203 633847583 /nfs/dbraw/zinc/84/75/83/633847583.db2.gz LXTGYGZPVZWGNI-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1c[nH]cn1 ZINC000295138203 633847585 /nfs/dbraw/zinc/84/75/85/633847585.db2.gz LXTGYGZPVZWGNI-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1c[nH]cn1 ZINC000295138203 633847588 /nfs/dbraw/zinc/84/75/88/633847588.db2.gz LXTGYGZPVZWGNI-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000863470467 636713196 /nfs/dbraw/zinc/71/31/96/636713196.db2.gz BNHYVGJVGOJVTR-ONGXEEELSA-N 1 2 236.290 2.523 20 0 BFADLO CC1(C)C[C@H]1c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923812552 637079256 /nfs/dbraw/zinc/07/92/56/637079256.db2.gz COWZAXDCIFKZGG-HLTSFMKQSA-N 1 2 244.298 2.577 20 0 BFADLO CN(C)c1cc(-c2ccc3c(c2)COC3)cc[nH+]1 ZINC000904850824 637508994 /nfs/dbraw/zinc/50/89/94/637508994.db2.gz ZROUEWPUXYOIBO-UHFFFAOYSA-N 1 2 240.306 2.845 20 0 BFADLO Cc1cc(C)c(C(=O)NC2CCCC2)c(C)[nH+]1 ZINC000905068541 637601937 /nfs/dbraw/zinc/60/19/37/637601937.db2.gz FPAWMOKXIGERQL-UHFFFAOYSA-N 1 2 232.327 2.679 20 0 BFADLO CC(C)(C)c1cn(C[C@H]2C[C@@]23CCOC3)c[nH+]1 ZINC000905237405 637722780 /nfs/dbraw/zinc/72/27/80/637722780.db2.gz MUAUBJMNWFCMJW-BXUZGUMPSA-N 1 2 234.343 2.607 20 0 BFADLO CCn1nccc1-c1cc(C)c2[nH+]c(C)cn2c1 ZINC000906159611 638067107 /nfs/dbraw/zinc/06/71/07/638067107.db2.gz UCFYWVWULSHBGN-UHFFFAOYSA-N 1 2 240.310 2.835 20 0 BFADLO Cc1cocc1-c1c[nH+]c2c(c1)CCCN2 ZINC000906175135 638087642 /nfs/dbraw/zinc/08/76/42/638087642.db2.gz PGZVVUOXIUDMQG-UHFFFAOYSA-N 1 2 214.268 2.651 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000906581965 638218173 /nfs/dbraw/zinc/21/81/73/638218173.db2.gz JVYKHKVNQQIROF-NOZJJQNGSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000906897501 638272850 /nfs/dbraw/zinc/27/28/50/638272850.db2.gz CAASVAJPUJYCSW-ZANVPECISA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000907595098 638416315 /nfs/dbraw/zinc/41/63/15/638416315.db2.gz TXZXTNLTHUZHAH-RNCFNFMXSA-N 1 2 246.354 2.925 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043534403 638530832 /nfs/dbraw/zinc/53/08/32/638530832.db2.gz CKAVLNZHRPBFGK-STQMWFEESA-N 1 2 249.354 2.721 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CCC2(C)C)c(C)[nH+]1 ZINC000908190781 638598777 /nfs/dbraw/zinc/59/87/77/638598777.db2.gz GDYSHZBGUQYBIN-LBPRGKRZSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cccc(C(C)(C)[NH2+]Cc2nncs2)c1 ZINC000930223712 639643902 /nfs/dbraw/zinc/64/39/02/639643902.db2.gz XUKNIYNBHYZJAZ-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1ccsc1 ZINC000930348246 639719320 /nfs/dbraw/zinc/71/93/20/639719320.db2.gz OXSKUNIVQZRFHF-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO C[N@H+](CCOC1CC1)Cc1c(F)cccc1F ZINC000930580506 639813560 /nfs/dbraw/zinc/81/35/60/639813560.db2.gz JBADXJGDASDYRQ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO C[N@@H+](CCOC1CC1)Cc1c(F)cccc1F ZINC000930580506 639813561 /nfs/dbraw/zinc/81/35/61/639813561.db2.gz JBADXJGDASDYRQ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC[N@H+](Cc1nncs1)C1CC(C)(C)C1 ZINC000930728050 639882056 /nfs/dbraw/zinc/88/20/56/639882056.db2.gz CHIDBOGMFLTIHS-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC[N@@H+](Cc1nncs1)C1CC(C)(C)C1 ZINC000930728050 639882058 /nfs/dbraw/zinc/88/20/58/639882058.db2.gz CHIDBOGMFLTIHS-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000912515643 640106116 /nfs/dbraw/zinc/10/61/16/640106116.db2.gz QOFKVURUZGOQFJ-CYBMUJFWSA-N 1 2 246.354 2.925 20 0 BFADLO CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931393122 640176310 /nfs/dbraw/zinc/17/63/10/640176310.db2.gz CYFHWVNWIOUHBZ-AWEZNQCLSA-N 1 2 245.301 2.516 20 0 BFADLO CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931393122 640176317 /nfs/dbraw/zinc/17/63/17/640176317.db2.gz CYFHWVNWIOUHBZ-AWEZNQCLSA-N 1 2 245.301 2.516 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCC(C)(F)F ZINC000931415591 640180464 /nfs/dbraw/zinc/18/04/64/640180464.db2.gz NBLIMCZBKDLATE-UHFFFAOYSA-N 1 2 231.290 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCC(C)(F)F ZINC000931415591 640180468 /nfs/dbraw/zinc/18/04/68/640180468.db2.gz NBLIMCZBKDLATE-UHFFFAOYSA-N 1 2 231.290 2.585 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2C/C=C\Cl)no1 ZINC000913395258 640365189 /nfs/dbraw/zinc/36/51/89/640365189.db2.gz BDUWKZDLPMTKHX-MZBZXASESA-N 1 2 226.707 2.872 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2C/C=C\Cl)no1 ZINC000913395258 640365195 /nfs/dbraw/zinc/36/51/95/640365195.db2.gz BDUWKZDLPMTKHX-MZBZXASESA-N 1 2 226.707 2.872 20 0 BFADLO CC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1OC ZINC000054764516 640406062 /nfs/dbraw/zinc/40/60/62/640406062.db2.gz KIKZLVMMCLQKNV-CYBMUJFWSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CCn3cccc3C2)s1 ZINC000932529472 640570367 /nfs/dbraw/zinc/57/03/67/640570367.db2.gz QDHCLMQSBNPVFT-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CCn3cccc3C2)s1 ZINC000932529472 640570372 /nfs/dbraw/zinc/57/03/72/640570372.db2.gz QDHCLMQSBNPVFT-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)cc[nH+]1 ZINC000932607086 640582609 /nfs/dbraw/zinc/58/26/09/640582609.db2.gz PGMZGJZOISRJOY-CLLJXQQHSA-N 1 2 244.338 2.577 20 0 BFADLO CCCCC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000932607873 640585911 /nfs/dbraw/zinc/58/59/11/640585911.db2.gz ZGQJMQYLWQNWOA-UHFFFAOYSA-N 1 2 232.327 2.721 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(=O)[C@@H]2C)c(C)c1 ZINC000932847296 640617933 /nfs/dbraw/zinc/61/79/33/640617933.db2.gz ACBJJYDJMVFDBG-ZDUSSCGKSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(=O)[C@@H]2C)c(C)c1 ZINC000932847296 640617936 /nfs/dbraw/zinc/61/79/36/640617936.db2.gz ACBJJYDJMVFDBG-ZDUSSCGKSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1ccc(CC[N@H+]2CC(=O)CC[C@@H]2C)cc1 ZINC000932875287 640634167 /nfs/dbraw/zinc/63/41/67/640634167.db2.gz SQVFRBVSFUMCKC-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[N@@H+]2CC(=O)CC[C@@H]2C)cc1 ZINC000932875287 640634172 /nfs/dbraw/zinc/63/41/72/640634172.db2.gz SQVFRBVSFUMCKC-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO CNc1cc(N[C@@H](C)c2ccsc2)nc[nH+]1 ZINC000087828461 641057703 /nfs/dbraw/zinc/05/77/03/641057703.db2.gz MCUPETCDEJDSPT-QMMMGPOBSA-N 1 2 234.328 2.753 20 0 BFADLO CNc1cc(N[C@@H](C)c2ccsc2)[nH+]cn1 ZINC000087828461 641057706 /nfs/dbraw/zinc/05/77/06/641057706.db2.gz MCUPETCDEJDSPT-QMMMGPOBSA-N 1 2 234.328 2.753 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCC[C@H](C)C2)no1)[NH+](C)C ZINC000350592747 641363915 /nfs/dbraw/zinc/36/39/15/641363915.db2.gz HNBXELZCGXDLOV-GARJFASQSA-N 1 2 237.347 2.986 20 0 BFADLO Cc1ccc(NC(=O)CC(C)(C)C)c(N(C)C)[nH+]1 ZINC000152683675 641630387 /nfs/dbraw/zinc/63/03/87/641630387.db2.gz GOKHBDCHGIYEOD-UHFFFAOYSA-N 1 2 249.358 2.831 20 0 BFADLO C[C@@H]1CC[N@H+](Cn2ncsc2=S)C[C@@H]1C ZINC000159910377 641704961 /nfs/dbraw/zinc/70/49/61/641704961.db2.gz BRXUTKGVXKCQGB-BDAKNGLRSA-N 1 2 243.401 2.609 20 0 BFADLO C[C@@H]1CC[N@@H+](Cn2ncsc2=S)C[C@@H]1C ZINC000159910377 641704966 /nfs/dbraw/zinc/70/49/66/641704966.db2.gz BRXUTKGVXKCQGB-BDAKNGLRSA-N 1 2 243.401 2.609 20 0 BFADLO CC(C)[C@H](C)[N@H+](C)Cn1ncsc1=S ZINC000915208421 641810226 /nfs/dbraw/zinc/81/02/26/641810226.db2.gz LDYKMURCAVPGAX-QMMMGPOBSA-N 1 2 231.390 2.608 20 0 BFADLO CC(C)[C@H](C)[N@@H+](C)Cn1ncsc1=S ZINC000915208421 641810229 /nfs/dbraw/zinc/81/02/29/641810229.db2.gz LDYKMURCAVPGAX-QMMMGPOBSA-N 1 2 231.390 2.608 20 0 BFADLO c1ccc(NC[C@H]2COc3ccccc3C2)[nH+]c1 ZINC000078435070 641921477 /nfs/dbraw/zinc/92/14/77/641921477.db2.gz PBTMPJMCJZYKRZ-LBPRGKRZSA-N 1 2 240.306 2.745 20 0 BFADLO CC(C)n1ccnc1SCc1ccc(N)[nH+]c1 ZINC000916538769 641943664 /nfs/dbraw/zinc/94/36/64/641943664.db2.gz QJVDKIKAQPZVBO-UHFFFAOYSA-N 1 2 248.355 2.734 20 0 BFADLO CCCC[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC000916843239 641980797 /nfs/dbraw/zinc/98/07/97/641980797.db2.gz ZIOZZFZXSLXQCV-UHFFFAOYSA-N 1 2 248.370 2.860 20 0 BFADLO CCCCNc1ccc([NH+]2CCC(O)CC2)cc1 ZINC000916843239 641980800 /nfs/dbraw/zinc/98/08/00/641980800.db2.gz ZIOZZFZXSLXQCV-UHFFFAOYSA-N 1 2 248.370 2.860 20 0 BFADLO O[C@H](CNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000917063514 641999561 /nfs/dbraw/zinc/99/95/61/641999561.db2.gz SNMHPQPSOMEMLG-GFCCVEGCSA-N 1 2 248.713 2.881 20 0 BFADLO Cc1nc(Cn2cc[nH+]c2)sc1C(C)(C)C ZINC000917359099 642041841 /nfs/dbraw/zinc/04/18/41/642041841.db2.gz JJCQQXDEHLXGLI-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO O=C1SCCN1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000917448831 642064937 /nfs/dbraw/zinc/06/49/37/642064937.db2.gz OBOMUZBFMUVLDR-LBPRGKRZSA-N 1 2 248.351 2.560 20 0 BFADLO O=C1SCCN1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000917448831 642064944 /nfs/dbraw/zinc/06/49/44/642064944.db2.gz OBOMUZBFMUVLDR-LBPRGKRZSA-N 1 2 248.351 2.560 20 0 BFADLO CCC[C@@H](C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923868841 642368426 /nfs/dbraw/zinc/36/84/26/642368426.db2.gz OPZDDUZYMAXSLT-OPRDCNLKSA-N 1 2 246.314 2.967 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)[C@H]1CCSC1 ZINC000308157479 642450099 /nfs/dbraw/zinc/45/00/99/642450099.db2.gz PRRFBMDGCUGQLN-IPWDFOCMSA-N 1 2 226.172 2.743 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)[C@H]1CCSC1 ZINC000308157479 642450095 /nfs/dbraw/zinc/45/00/95/642450095.db2.gz PRRFBMDGCUGQLN-IPWDFOCMSA-N 1 2 226.172 2.743 20 0 BFADLO Cc1cc(NC[C@H]2CCCO2)nc(C2CCC2)[nH+]1 ZINC000891396900 642468594 /nfs/dbraw/zinc/46/85/94/642468594.db2.gz GVBQWEGCBXEEHA-GFCCVEGCSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c(=S)s1 ZINC000174959050 642643807 /nfs/dbraw/zinc/64/38/07/642643807.db2.gz LVTOGEVGTOBNQP-YUMQZZPRSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c(=S)s1 ZINC000174959050 642643814 /nfs/dbraw/zinc/64/38/14/642643814.db2.gz LVTOGEVGTOBNQP-YUMQZZPRSA-N 1 2 243.401 2.670 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1nccn1C ZINC000070443827 643026608 /nfs/dbraw/zinc/02/66/08/643026608.db2.gz WXKILZBBTSWWDK-LLVKDONJSA-N 1 2 244.342 2.659 20 0 BFADLO CC[C@@H](COC)Nc1ccc([NH+](C)C)cc1 ZINC000070623893 643050734 /nfs/dbraw/zinc/05/07/34/643050734.db2.gz CWKCEDVEDBYGQU-NSHDSACASA-N 1 2 222.332 2.590 20 0 BFADLO C/C=C(/C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000080468509 643285212 /nfs/dbraw/zinc/28/52/12/643285212.db2.gz ZPXSDPOXGYBGKK-JYOAFUTRSA-N 1 2 241.294 2.777 20 0 BFADLO CC(C)=CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000048698156 643604548 /nfs/dbraw/zinc/60/45/48/643604548.db2.gz GFEXKZSHSCTXON-UHFFFAOYSA-N 1 2 241.294 2.777 20 0 BFADLO COc1ccc(C[NH2+]CC(C)(F)F)c(C)c1 ZINC000922147863 643873290 /nfs/dbraw/zinc/87/32/90/643873290.db2.gz BFXBLXRPKKIKDW-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO Cc1[nH]c(CNc2cc(Cl)ccn2)[nH+]c1C ZINC000922191284 643898055 /nfs/dbraw/zinc/89/80/55/643898055.db2.gz VZKLZJJPNOZARS-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO CCC[C@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922401022 643986963 /nfs/dbraw/zinc/98/69/63/643986963.db2.gz WKJHYVPEHCYCEO-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO Nc1ccc(COC(=O)C2CCCCCC2)c[nH+]1 ZINC000922403778 643988328 /nfs/dbraw/zinc/98/83/28/643988328.db2.gz DVJAOGIKNZJVQH-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CC(C)(C)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922470787 643996745 /nfs/dbraw/zinc/99/67/45/643996745.db2.gz AESVPZGDPRALHM-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO C[C@H](C(=O)OCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000922511164 644010040 /nfs/dbraw/zinc/01/00/40/644010040.db2.gz UHEOUDDUQQPDTM-JTQLQIEISA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cnc(C[NH2+]C(C)(C)/C=C\Cl)o1 ZINC000922643728 644048630 /nfs/dbraw/zinc/04/86/30/644048630.db2.gz BIMFVAJHKUFNOV-PLNGDYQASA-N 1 2 214.696 2.604 20 0 BFADLO C[C@H]1CC[N@H+](Cn2ncsc2=S)C[C@H]1C ZINC000245697124 644537604 /nfs/dbraw/zinc/53/76/04/644537604.db2.gz BRXUTKGVXKCQGB-DTWKUNHWSA-N 1 2 243.401 2.609 20 0 BFADLO C[C@H]1CC[N@@H+](Cn2ncsc2=S)C[C@H]1C ZINC000245697124 644537610 /nfs/dbraw/zinc/53/76/10/644537610.db2.gz BRXUTKGVXKCQGB-DTWKUNHWSA-N 1 2 243.401 2.609 20 0 BFADLO C=C[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000249392428 644720422 /nfs/dbraw/zinc/72/04/22/644720422.db2.gz RCXXKRKRYGCLLL-OCCSQVGLSA-N 1 2 247.338 2.797 20 0 BFADLO C=C[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000249392428 644720429 /nfs/dbraw/zinc/72/04/29/644720429.db2.gz RCXXKRKRYGCLLL-OCCSQVGLSA-N 1 2 247.338 2.797 20 0 BFADLO CC[NH2+]Cc1noc(C[C@@H]2CCCC[C@H]2C)n1 ZINC000843145267 644865000 /nfs/dbraw/zinc/86/50/00/644865000.db2.gz HOLXOEPZEBSTNO-MNOVXSKESA-N 1 2 237.347 2.548 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ccns2)o1 ZINC000926536457 645264597 /nfs/dbraw/zinc/26/45/97/645264597.db2.gz DPIGQVZLCXXXAW-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccnnc2)c[nH+]c1C ZINC000926854587 645457097 /nfs/dbraw/zinc/45/70/97/645457097.db2.gz CNXPVSJSZHDYAV-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO CCON1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000926856352 645457240 /nfs/dbraw/zinc/45/72/40/645457240.db2.gz SMFFQKJJEWBIDX-UHFFFAOYSA-N 1 2 249.358 2.526 20 0 BFADLO Cc1cc(NC2[C@@H](C)COC[C@@H]2C)c[nH+]c1C ZINC000926856356 645458205 /nfs/dbraw/zinc/45/82/05/645458205.db2.gz SSPWNAANPIJDHF-QWRGUYRKSA-N 1 2 234.343 2.781 20 0 BFADLO C[C@H](c1nc(CC2(C)CCCC2)no1)[NH+](C)C ZINC000924071480 645975419 /nfs/dbraw/zinc/97/54/19/645975419.db2.gz RSMIGRWCUQXHHQ-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO C[C@H](c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)[NH+](C)C ZINC000924113756 645982491 /nfs/dbraw/zinc/98/24/91/645982491.db2.gz GMNINHIHDWSUDF-LMLFDSFASA-N 1 2 235.331 2.596 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000929212225 646010702 /nfs/dbraw/zinc/01/07/02/646010702.db2.gz RWQVQGCLGXSEMA-SNVBAGLBSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000929212225 646010705 /nfs/dbraw/zinc/01/07/05/646010705.db2.gz RWQVQGCLGXSEMA-SNVBAGLBSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)[N@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929270757 646051934 /nfs/dbraw/zinc/05/19/34/646051934.db2.gz JGQVOFRPBYECPF-UHFFFAOYSA-N 1 2 226.270 2.733 20 0 BFADLO CC(C)[N@@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929270757 646051942 /nfs/dbraw/zinc/05/19/42/646051942.db2.gz JGQVOFRPBYECPF-UHFFFAOYSA-N 1 2 226.270 2.733 20 0 BFADLO Cc1cn(C)nc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000929283462 646059669 /nfs/dbraw/zinc/05/96/69/646059669.db2.gz JENLSONEVNJVAI-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cn(C)nc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000929283462 646059673 /nfs/dbraw/zinc/05/96/73/646059673.db2.gz JENLSONEVNJVAI-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO CC(C)CC[N@H+](C)Cc1c(F)cncc1F ZINC000929293697 646069011 /nfs/dbraw/zinc/06/90/11/646069011.db2.gz OVPKQCPSIJWTOF-UHFFFAOYSA-N 1 2 228.286 2.838 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1c(F)cncc1F ZINC000929293697 646069014 /nfs/dbraw/zinc/06/90/14/646069014.db2.gz OVPKQCPSIJWTOF-UHFFFAOYSA-N 1 2 228.286 2.838 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CC[C@H](C)C2)n1 ZINC000929461319 646125425 /nfs/dbraw/zinc/12/54/25/646125425.db2.gz HHEMLCQDPLYVFH-VIFPVBQESA-N 1 2 225.361 2.503 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CC[C@H](C)C2)n1 ZINC000929461319 646125431 /nfs/dbraw/zinc/12/54/31/646125431.db2.gz HHEMLCQDPLYVFH-VIFPVBQESA-N 1 2 225.361 2.503 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000929785684 646313503 /nfs/dbraw/zinc/31/35/03/646313503.db2.gz AVCRRYHGUFAXNH-TZMCWYRMSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000929785684 646313509 /nfs/dbraw/zinc/31/35/09/646313509.db2.gz AVCRRYHGUFAXNH-TZMCWYRMSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ncco1 ZINC000925646462 646386526 /nfs/dbraw/zinc/38/65/26/646386526.db2.gz VDKBQPSGNAKNLS-GWCFXTLKSA-N 1 2 243.310 2.872 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)Cc1nncs1 ZINC000930010169 646392922 /nfs/dbraw/zinc/39/29/22/646392922.db2.gz ICKIIKXVBMGUGN-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)Cc1nncs1 ZINC000930010169 646392929 /nfs/dbraw/zinc/39/29/29/646392929.db2.gz ICKIIKXVBMGUGN-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO CC[C@H]1COC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000926052782 646565399 /nfs/dbraw/zinc/56/53/99/646565399.db2.gz OGEIQWUVZRAXSS-GXTWGEPZSA-N 1 2 248.370 2.898 20 0 BFADLO C[C@@H](NCC(C)(F)F)c1cn2c([nH+]1)CCCC2 ZINC000926485939 646657484 /nfs/dbraw/zinc/65/74/84/646657484.db2.gz KTSWDZZTWZBGIO-SECBINFHSA-N 1 2 243.301 2.525 20 0 BFADLO CC[C@H](Nc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000723856455 711539512 /nfs/dbraw/zinc/53/95/12/711539512.db2.gz BKYHPJSXHKJUEG-NEPJUHHUSA-N 1 2 220.316 2.699 20 0 BFADLO C[C@H]1C[C@@H](Nc2cccc[nH+]2)CCS1 ZINC000725630714 711667545 /nfs/dbraw/zinc/66/75/45/711667545.db2.gz QHXIATPHOOVRGM-UWVGGRQHSA-N 1 2 208.330 2.778 20 0 BFADLO C[C@H]1C[C@H](Nc2cccc[nH+]2)CCS1 ZINC000725630715 711667586 /nfs/dbraw/zinc/66/75/86/711667586.db2.gz QHXIATPHOOVRGM-VHSXEESVSA-N 1 2 208.330 2.778 20 0 BFADLO C[C@H]([NH2+]CCC1=CCCC1)C(=O)OC(C)(C)C ZINC000229067376 711837324 /nfs/dbraw/zinc/83/73/24/711837324.db2.gz TXQSCWAEHMOKMP-NSHDSACASA-N 1 2 239.359 2.807 20 0 BFADLO c1ccc(NCC[C@@H]2CC[C@H]3C[C@H]32)[nH+]c1 ZINC000717076287 712628933 /nfs/dbraw/zinc/62/89/33/712628933.db2.gz CQKJOKZMBKQDJV-SRVKXCTJSA-N 1 2 202.301 2.930 20 0 BFADLO C[C@H](Cc1ccco1)Nc1cccc[nH+]1 ZINC000037998912 712798365 /nfs/dbraw/zinc/79/83/65/712798365.db2.gz IUNUJAPISYCNHX-SNVBAGLBSA-N 1 2 202.257 2.718 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000383321609 710980652 /nfs/dbraw/zinc/98/06/52/710980652.db2.gz SLYVTXBKXUEFBG-RISCZKNCSA-N 1 2 234.343 2.732 20 0 BFADLO CN(C)c1ccc([NH2+]CCC2CCOCC2)cc1 ZINC000394151404 711186032 /nfs/dbraw/zinc/18/60/32/711186032.db2.gz UMEQJHWZYNBUNW-UHFFFAOYSA-N 1 2 248.370 2.981 20 0 BFADLO Cc1[nH]c(CN2CCc3ccccc3C2)c(C)[nH+]1 ZINC000724784491 711613476 /nfs/dbraw/zinc/61/34/76/711613476.db2.gz DLOSFXOWWXJROQ-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccccc1C[N@H+](C)Cn1cc(Cl)cn1 ZINC000066349554 711672004 /nfs/dbraw/zinc/67/20/04/711672004.db2.gz ZJLVTAYBLUJJOB-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO Cc1ccccc1C[N@@H+](C)Cn1cc(Cl)cn1 ZINC000066349554 711672006 /nfs/dbraw/zinc/67/20/06/711672006.db2.gz ZJLVTAYBLUJJOB-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893407054 711715713 /nfs/dbraw/zinc/71/57/13/711715713.db2.gz FAQPBADPRUPRRW-QWRGUYRKSA-N 1 2 249.358 2.888 20 0 BFADLO FC(F)(F)[C@@H]1CC[C@@H](CNc2cccc[nH+]2)O1 ZINC000722407215 711754434 /nfs/dbraw/zinc/75/44/34/711754434.db2.gz ODQUMZGPAYDHLE-IUCAKERBSA-N 1 2 246.232 2.603 20 0 BFADLO FC(F)(F)[C@@H]1CC[C@H](CNc2cccc[nH+]2)O1 ZINC000722407211 711754535 /nfs/dbraw/zinc/75/45/35/711754535.db2.gz ODQUMZGPAYDHLE-BDAKNGLRSA-N 1 2 246.232 2.603 20 0 BFADLO COCC(C)(C)[N@H+](C)C/C(Cl)=C\Cl ZINC000379352799 711799891 /nfs/dbraw/zinc/79/98/91/711799891.db2.gz CSPSXWBIQXHYMW-VMPITWQZSA-N 1 2 226.147 2.662 20 0 BFADLO COCC(C)(C)[N@@H+](C)C/C(Cl)=C\Cl ZINC000379352799 711799892 /nfs/dbraw/zinc/79/98/92/711799892.db2.gz CSPSXWBIQXHYMW-VMPITWQZSA-N 1 2 226.147 2.662 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CCC(C)(C)C2)n1 ZINC000929750383 711849754 /nfs/dbraw/zinc/84/97/54/711849754.db2.gz UBHNBXJVLVYRIA-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CCC(C)(C)C2)n1 ZINC000929750383 711849755 /nfs/dbraw/zinc/84/97/55/711849755.db2.gz UBHNBXJVLVYRIA-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO COc1ccc[nH+]c1NCC[C@@H]1CCSC1 ZINC000704767015 712115849 /nfs/dbraw/zinc/11/58/49/712115849.db2.gz CJTFMGXLLYKVRT-SNVBAGLBSA-N 1 2 238.356 2.645 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1COC[C@H]1C ZINC000710903028 712261952 /nfs/dbraw/zinc/26/19/52/712261952.db2.gz XXSQEFKXBRPAJI-BXUZGUMPSA-N 1 2 234.343 2.508 20 0 BFADLO C[C@H]1Cc2cc(C[NH2+]CC(C)(F)F)ccc2O1 ZINC000720704393 712862003 /nfs/dbraw/zinc/86/20/03/712862003.db2.gz JUOBMGAXJMPFDY-VIFPVBQESA-N 1 2 241.281 2.755 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001209410573 957418740 /nfs/dbraw/zinc/41/87/40/957418740.db2.gz KZPQRZMCQJMIHK-BBBLOLIVSA-N 1 2 221.266 2.569 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001209410573 957418753 /nfs/dbraw/zinc/41/87/53/957418753.db2.gz KZPQRZMCQJMIHK-BBBLOLIVSA-N 1 2 221.266 2.569 20 0 BFADLO Oc1ccc(C[NH+]2CCCCC2)c(F)c1F ZINC001140890117 960671280 /nfs/dbraw/zinc/67/12/80/960671280.db2.gz WFILSKVZOUEDES-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO CCCOCCNc1ccc(CSC)c[nH+]1 ZINC001157087521 963527064 /nfs/dbraw/zinc/52/70/64/963527064.db2.gz CEMAKLCUKMFZSH-UHFFFAOYSA-N 1 2 240.372 2.783 20 0 BFADLO C[N@H+](Cc1cc(Cl)ncc1O)CC1CCC1 ZINC001233033269 965458572 /nfs/dbraw/zinc/45/85/72/965458572.db2.gz DFYDGNDJGLRRQF-UHFFFAOYSA-N 1 2 240.734 2.673 20 0 BFADLO COc1cc[nH+]cc1NCCc1ccsc1 ZINC001166803376 966418724 /nfs/dbraw/zinc/41/87/24/966418724.db2.gz MKPWDJXABZRVLH-UHFFFAOYSA-N 1 2 234.324 2.806 20 0 BFADLO Cc1cc(CC(=O)C(C)(C)C)cc(C)[nH+]1 ZINC001249919304 967160268 /nfs/dbraw/zinc/16/02/68/967160268.db2.gz OSSIYRJNNVJSGG-UHFFFAOYSA-N 1 2 205.301 2.856 20 0 BFADLO C[C@H](CCN1CC2(CC[N@@H+]2C)C1)CC(C)(C)C ZINC001276504627 968585536 /nfs/dbraw/zinc/58/55/36/968585536.db2.gz WWNWVWJEUZQAMC-CYBMUJFWSA-N 1 2 238.419 2.839 20 0 BFADLO C[C@H](CCN1CC2(CC[N@H+]2C)C1)CC(C)(C)C ZINC001276504627 968585542 /nfs/dbraw/zinc/58/55/42/968585542.db2.gz WWNWVWJEUZQAMC-CYBMUJFWSA-N 1 2 238.419 2.839 20 0 BFADLO COc1cc2[nH+]ccn2cc1C=C(C)C ZINC001240638486 968599258 /nfs/dbraw/zinc/59/92/58/968599258.db2.gz FILZIRUBRFMRED-UHFFFAOYSA-N 1 2 202.257 2.766 20 0 BFADLO O=C1CCC[N@@H+](CCC2CCCC2)C[C@H]1F ZINC001208690605 969196805 /nfs/dbraw/zinc/19/68/05/969196805.db2.gz ODPUOBCZKSNNFB-GFCCVEGCSA-N 1 2 227.323 2.570 20 0 BFADLO O=C1CCC[N@H+](CCC2CCCC2)C[C@H]1F ZINC001208690605 969196807 /nfs/dbraw/zinc/19/68/07/969196807.db2.gz ODPUOBCZKSNNFB-GFCCVEGCSA-N 1 2 227.323 2.570 20 0 BFADLO FC1(C2CC2)C[NH+](C2CCC(F)(F)CC2)C1 ZINC001254218175 969541229 /nfs/dbraw/zinc/54/12/29/969541229.db2.gz BIVOTLKOJGIFEI-UHFFFAOYSA-N 1 2 233.277 2.998 20 0 BFADLO Cn1c[nH+]cc1Nc1ccc(Cl)c(O)c1F ZINC001214796453 970536996 /nfs/dbraw/zinc/53/69/96/970536996.db2.gz WIOZUBBHNRCFAF-UHFFFAOYSA-N 1 2 241.653 2.662 20 0 BFADLO C=CNc1cc(Br)cn2cc[nH+]c12 ZINC001174780721 976995652 /nfs/dbraw/zinc/99/56/52/976995652.db2.gz WBQZNIZEDFAIHD-UHFFFAOYSA-N 1 2 238.088 2.652 20 0 BFADLO CC(C)([NH2+]Cc1nncs1)c1cccs1 ZINC001335779431 977279944 /nfs/dbraw/zinc/27/99/44/977279944.db2.gz CHTNIKGOHVSRPH-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)cs1 ZINC001175342527 977366610 /nfs/dbraw/zinc/36/66/10/977366610.db2.gz RZBHDGLLBWIUHS-UHFFFAOYSA-N 1 2 234.328 2.656 20 0 BFADLO Oc1cc(C[NH+]2CCSCC2)ccc1Cl ZINC001231731781 977715571 /nfs/dbraw/zinc/71/55/71/977715571.db2.gz PSZLAHHIXGXYQC-UHFFFAOYSA-N 1 2 243.759 2.594 20 0 BFADLO FC(F)(F)c1ccc(C[NH+]2CCC2)o1 ZINC001232443326 978075817 /nfs/dbraw/zinc/07/58/17/978075817.db2.gz VPMSZZFJQZLNOB-UHFFFAOYSA-N 1 2 205.179 2.504 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@@H]2C(F)(F)F)c[nH+]1 ZINC001232462138 978100328 /nfs/dbraw/zinc/10/03/28/978100328.db2.gz JWMHTGJVHOKDPD-SNVBAGLBSA-N 1 2 247.264 2.635 20 0 BFADLO Cc1[nH]cc(CN2CCCC[C@@H]2C(F)(F)F)[nH+]1 ZINC001232462138 978100340 /nfs/dbraw/zinc/10/03/40/978100340.db2.gz JWMHTGJVHOKDPD-SNVBAGLBSA-N 1 2 247.264 2.635 20 0 BFADLO CC(C)c1ocnc1C[N@@H+]1CCSC[C@@H]1C ZINC001337118404 978170631 /nfs/dbraw/zinc/17/06/31/978170631.db2.gz PSBIINXGLIOIKY-JTQLQIEISA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1ocnc1C[N@H+]1CCSC[C@@H]1C ZINC001337118404 978170638 /nfs/dbraw/zinc/17/06/38/978170638.db2.gz PSBIINXGLIOIKY-JTQLQIEISA-N 1 2 240.372 2.735 20 0 BFADLO CCOC(=O)c1ccsc1C[N@@H+]1CC[C@H]1C ZINC001233017328 978412745 /nfs/dbraw/zinc/41/27/45/978412745.db2.gz GLQYHRRBRCEPKA-SECBINFHSA-N 1 2 239.340 2.519 20 0 BFADLO CCOC(=O)c1ccsc1C[N@H+]1CC[C@H]1C ZINC001233017328 978412763 /nfs/dbraw/zinc/41/27/63/978412763.db2.gz GLQYHRRBRCEPKA-SECBINFHSA-N 1 2 239.340 2.519 20 0 BFADLO CCOC(=[NH2+])c1ccc(OC2CC2)cc1 ZINC001234588770 978863958 /nfs/dbraw/zinc/86/39/58/978863958.db2.gz RPVGVEUFKYOCHT-UHFFFAOYSA-N 1 2 205.257 2.590 20 0 BFADLO Clc1nccnc1C[N@@H+]1CCCCC12CC2 ZINC001236621240 979679328 /nfs/dbraw/zinc/67/93/28/979679328.db2.gz OVNGUMVFIRTPIK-UHFFFAOYSA-N 1 2 237.734 2.649 20 0 BFADLO Clc1nccnc1C[N@H+]1CCCCC12CC2 ZINC001236621240 979679332 /nfs/dbraw/zinc/67/93/32/979679332.db2.gz OVNGUMVFIRTPIK-UHFFFAOYSA-N 1 2 237.734 2.649 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1Cl ZINC001236852707 979758968 /nfs/dbraw/zinc/75/89/68/979758968.db2.gz DKBWCYFBOFSZSA-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1Cl ZINC001236852707 979758984 /nfs/dbraw/zinc/75/89/84/979758984.db2.gz DKBWCYFBOFSZSA-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ccncc1C(F)(F)F ZINC001237286224 979864971 /nfs/dbraw/zinc/86/49/71/979864971.db2.gz XVQPBGWITZMFEF-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ccncc1C(F)(F)F ZINC001237286224 979864975 /nfs/dbraw/zinc/86/49/75/979864975.db2.gz XVQPBGWITZMFEF-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO CCc1ncc(C[N@@H+]2C[C@H](F)C[C@H]2C)s1 ZINC001237820890 980070961 /nfs/dbraw/zinc/07/09/61/980070961.db2.gz GUPCKADVMCGJRY-RKDXNWHRSA-N 1 2 228.336 2.638 20 0 BFADLO CCc1ncc(C[N@H+]2C[C@H](F)C[C@H]2C)s1 ZINC001237820890 980070972 /nfs/dbraw/zinc/07/09/72/980070972.db2.gz GUPCKADVMCGJRY-RKDXNWHRSA-N 1 2 228.336 2.638 20 0 BFADLO CC(C)Oc1cc(C[N@@H+]2CC[C@H]2C)cnc1F ZINC001238605484 980297403 /nfs/dbraw/zinc/29/74/03/980297403.db2.gz JVBIEGJOEHGSAV-SNVBAGLBSA-N 1 2 238.306 2.602 20 0 BFADLO CC(C)Oc1cc(C[N@H+]2CC[C@H]2C)cnc1F ZINC001238605484 980297414 /nfs/dbraw/zinc/29/74/14/980297414.db2.gz JVBIEGJOEHGSAV-SNVBAGLBSA-N 1 2 238.306 2.602 20 0 BFADLO Cc1cc(CCn2cc[nH+]c2)c(C)s1 ZINC001250315573 980755897 /nfs/dbraw/zinc/75/58/97/980755897.db2.gz PPNSAAGPEOBPGA-UHFFFAOYSA-N 1 2 206.314 2.804 20 0 BFADLO COc1cc(F)cc(/C(C)=C/C=C/[NH3+])c1 ZINC001241029390 982123275 /nfs/dbraw/zinc/12/32/75/982123275.db2.gz SHZPTIYVTSRHPD-BMVOEDMYSA-N 1 2 207.248 2.710 20 0 BFADLO Cc1csc(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001137152831 983987666 /nfs/dbraw/zinc/98/76/66/983987666.db2.gz FDCLKZADZHIUNO-UHFFFAOYSA-N 1 2 237.368 2.811 20 0 BFADLO CCCOC1C[NH+](Cc2cc(C)cs2)C1 ZINC001137157475 984001215 /nfs/dbraw/zinc/00/12/15/984001215.db2.gz ZXDNPEXRNXOQGO-UHFFFAOYSA-N 1 2 225.357 2.667 20 0 BFADLO CCOCC[C@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172416165 974686514 /nfs/dbraw/zinc/68/65/14/974686514.db2.gz DSLIODSPFCFYGP-MNOVXSKESA-N 1 2 235.318 2.779 20 0 BFADLO CCOCC[C@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172416165 974686519 /nfs/dbraw/zinc/68/65/19/974686519.db2.gz DSLIODSPFCFYGP-MNOVXSKESA-N 1 2 235.318 2.779 20 0 BFADLO CCOCC[C@@H](C)[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172416168 974686168 /nfs/dbraw/zinc/68/61/68/974686168.db2.gz DSLIODSPFCFYGP-WDEREUQCSA-N 1 2 235.318 2.779 20 0 BFADLO CCOCC[C@@H](C)[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001172416168 974686172 /nfs/dbraw/zinc/68/61/72/974686172.db2.gz DSLIODSPFCFYGP-WDEREUQCSA-N 1 2 235.318 2.779 20 0 BFADLO Oc1cc(F)c(C[NH+]2CCCCC2)c(F)c1 ZINC001144541858 972862551 /nfs/dbraw/zinc/86/25/51/972862551.db2.gz LSYMLZIQJBZKCZ-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)c(C)c1OC ZINC001243476392 970773029 /nfs/dbraw/zinc/77/30/29/970773029.db2.gz RCXKDCDOHQKJOT-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO CC(C)CC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001256366833 970773245 /nfs/dbraw/zinc/77/32/45/970773245.db2.gz RYKFFAFLQBOSAO-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001256366833 970773255 /nfs/dbraw/zinc/77/32/55/970773255.db2.gz RYKFFAFLQBOSAO-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CCOc1ccc(Nc2[nH+]cccc2N)c(C)n1 ZINC001215576563 970795013 /nfs/dbraw/zinc/79/50/13/970795013.db2.gz GCBHVGHIXAYSPW-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO C[C@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)CCC1=O ZINC001256685959 970920848 /nfs/dbraw/zinc/92/08/48/970920848.db2.gz QFOSYDBIBAQYNP-HZMBPMFUSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCC1=O ZINC001256685959 970920854 /nfs/dbraw/zinc/92/08/54/970920854.db2.gz QFOSYDBIBAQYNP-HZMBPMFUSA-N 1 2 247.313 2.724 20 0 BFADLO Cc1cc(C)c(N)c(Nc2[nH+]cccc2N)c1 ZINC001216094999 970938465 /nfs/dbraw/zinc/93/84/65/970938465.db2.gz BZNSTFONDQBEIH-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO c1ccc(NC2C[C@H]3CC[C@@H](C2)S3)[nH+]c1 ZINC000403582674 970989341 /nfs/dbraw/zinc/98/93/41/970989341.db2.gz KZEZRWTYKFROBA-FGWVZKOKSA-N 1 2 220.341 2.920 20 0 BFADLO c1cn2cccc(-c3cccc4c3CCN4)c2[nH+]1 ZINC001243852786 970993258 /nfs/dbraw/zinc/99/32/58/970993258.db2.gz ZSJCXPZRIBWZFP-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO CN(c1cc(N)cc(Cl)[nH+]1)C(C)(C)C ZINC000307237842 971143425 /nfs/dbraw/zinc/14/34/25/971143425.db2.gz ONBDTBVJBKQEBP-UHFFFAOYSA-N 1 2 213.712 2.552 20 0 BFADLO COC(C)(C)C[N@H+](C)Cc1csc(Cl)n1 ZINC000404238970 971147776 /nfs/dbraw/zinc/14/77/76/971147776.db2.gz BNISTGICXRKLAQ-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COC(C)(C)C[N@@H+](C)Cc1csc(Cl)n1 ZINC000404238970 971147779 /nfs/dbraw/zinc/14/77/79/971147779.db2.gz BNISTGICXRKLAQ-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO CC/C(C)=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131308866 971159346 /nfs/dbraw/zinc/15/93/46/971159346.db2.gz BXDURMGVDOARHH-NTMALXAHSA-N 1 2 229.283 2.629 20 0 BFADLO CCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001257305989 971195217 /nfs/dbraw/zinc/19/52/17/971195217.db2.gz LDTKMMQHMPLRCE-LURJTMIESA-N 1 2 219.197 2.962 20 0 BFADLO CCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001257305992 971197711 /nfs/dbraw/zinc/19/77/11/971197711.db2.gz LDTKMMQHMPLRCE-ZCFIWIBFSA-N 1 2 219.197 2.962 20 0 BFADLO CCC[C@H](C)[N@H+]1Cc2nc(C)sc2C1 ZINC001257329022 971233042 /nfs/dbraw/zinc/23/30/42/971233042.db2.gz WCGRARNTFVAQFG-QMMMGPOBSA-N 1 2 210.346 2.956 20 0 BFADLO CCC[C@H](C)[N@@H+]1Cc2nc(C)sc2C1 ZINC001257329022 971233049 /nfs/dbraw/zinc/23/30/49/971233049.db2.gz WCGRARNTFVAQFG-QMMMGPOBSA-N 1 2 210.346 2.956 20 0 BFADLO CCCC(CCC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001257340002 971248301 /nfs/dbraw/zinc/24/83/01/971248301.db2.gz AXUMFPQKNFVWCR-NSHDSACASA-N 1 2 215.312 2.568 20 0 BFADLO CCCC(CCC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001257340002 971248308 /nfs/dbraw/zinc/24/83/08/971248308.db2.gz AXUMFPQKNFVWCR-NSHDSACASA-N 1 2 215.312 2.568 20 0 BFADLO CCCC(CCC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001257340001 971249494 /nfs/dbraw/zinc/24/94/94/971249494.db2.gz AXUMFPQKNFVWCR-LLVKDONJSA-N 1 2 215.312 2.568 20 0 BFADLO CCCC(CCC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001257340001 971249503 /nfs/dbraw/zinc/24/95/03/971249503.db2.gz AXUMFPQKNFVWCR-LLVKDONJSA-N 1 2 215.312 2.568 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000809652650 971276000 /nfs/dbraw/zinc/27/60/00/971276000.db2.gz KBIRIEVIULCKBB-GMXVVIOVSA-N 1 2 239.359 2.639 20 0 BFADLO C[C@H]1[C@H](C)OC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000405702774 971298759 /nfs/dbraw/zinc/29/87/59/971298759.db2.gz PNXXOELALYYJFR-COPLHBTASA-N 1 2 234.343 2.588 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257510646 971428810 /nfs/dbraw/zinc/42/88/10/971428810.db2.gz FCTCLASAWZILNM-TUAOUCFPSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257510646 971428817 /nfs/dbraw/zinc/42/88/17/971428817.db2.gz FCTCLASAWZILNM-TUAOUCFPSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001257513397 971431855 /nfs/dbraw/zinc/43/18/55/971431855.db2.gz SQYJJRDGVOPQPW-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001257513397 971431862 /nfs/dbraw/zinc/43/18/62/971431862.db2.gz SQYJJRDGVOPQPW-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001257513409 971433828 /nfs/dbraw/zinc/43/38/28/971433828.db2.gz SQYJJRDGVOPQPW-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001257513409 971433830 /nfs/dbraw/zinc/43/38/30/971433830.db2.gz SQYJJRDGVOPQPW-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO C[C@@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848134 974213013 /nfs/dbraw/zinc/21/30/13/974213013.db2.gz ZKHDTUQZHBBGRO-GHMZBOCLSA-N 1 2 249.345 2.761 20 0 BFADLO Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(C)c1 ZINC001218004089 971567715 /nfs/dbraw/zinc/56/77/15/971567715.db2.gz ALZJNOXJHNFCLD-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cccc(F)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218013158 971567783 /nfs/dbraw/zinc/56/77/83/971567783.db2.gz ZJDLBQCAFXYIFH-JTQLQIEISA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cc(F)ccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218006271 971569692 /nfs/dbraw/zinc/56/96/92/971569692.db2.gz POYCOUOJSVDYGL-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cccc(O[C@H]2CC[NH2+]CC2(F)F)c1F ZINC001218008508 971570834 /nfs/dbraw/zinc/57/08/34/971570834.db2.gz ZIWYABSKNAVGHA-JTQLQIEISA-N 1 2 245.244 2.510 20 0 BFADLO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc(S)c1 ZINC001218024770 971576678 /nfs/dbraw/zinc/57/66/78/971576678.db2.gz BLXBWJCWVRBKAF-GWCFXTLKSA-N 1 2 237.368 2.742 20 0 BFADLO Sc1ccccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090647 971599043 /nfs/dbraw/zinc/59/90/43/971599043.db2.gz BXHIEDMJUZERLR-KGLIPLIRSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1C ZINC001218270950 971668145 /nfs/dbraw/zinc/66/81/45/971668145.db2.gz GNDBMLLLPOTSNH-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO CCc1ccccc1O[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218272632 971669160 /nfs/dbraw/zinc/66/91/60/971669160.db2.gz DRWNKNWSGMFFPC-LLVKDONJSA-N 1 2 241.281 2.625 20 0 BFADLO C[C@H]1CC[C@H](Oc2ccc[nH+]c2N)CC1 ZINC001218294011 971693002 /nfs/dbraw/zinc/69/30/02/971693002.db2.gz QSLNDUVAXASIDD-MGCOHNPYSA-N 1 2 206.289 2.621 20 0 BFADLO Nc1[nH+]cccc1O[C@H]1CCC=CCCC1 ZINC001218302569 971698970 /nfs/dbraw/zinc/69/89/70/971698970.db2.gz FNRBFBZCCSSMBW-NSHDSACASA-N 1 2 218.300 2.932 20 0 BFADLO Nc1[nH+]cccc1O[C@H]1CC2CCC1CC2 ZINC001218301013 971699907 /nfs/dbraw/zinc/69/99/07/971699907.db2.gz VBYVSRJNWSSVIN-CBINBANVSA-N 1 2 218.300 2.621 20 0 BFADLO C[C@@H]1CCC[C@@H](Oc2ccc[nH+]c2N)[C@H]1C ZINC001218352564 971720313 /nfs/dbraw/zinc/72/03/13/971720313.db2.gz IKXIMQGGDCCIKN-OUAUKWLOSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[NH2+]C[C@@H]1C ZINC001218418459 971794021 /nfs/dbraw/zinc/79/40/21/971794021.db2.gz ZLAPSAKFOVNEGB-GXFFZTMASA-N 1 2 237.368 2.661 20 0 BFADLO Cc1c(Nc2ccc(N)[nH+]c2)ccc(F)c1F ZINC001159281868 971803199 /nfs/dbraw/zinc/80/31/99/971803199.db2.gz GHAAZCPTGQCRQT-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218461661 971823379 /nfs/dbraw/zinc/82/33/79/971823379.db2.gz SRUWDVMLALBWRC-SCDSUCTJSA-N 1 2 249.379 2.661 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330946 974595174 /nfs/dbraw/zinc/59/51/74/974595174.db2.gz NISGVJWYODFRBX-KXNHARMFSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330946 974595179 /nfs/dbraw/zinc/59/51/79/974595179.db2.gz NISGVJWYODFRBX-KXNHARMFSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330945 974596274 /nfs/dbraw/zinc/59/62/74/974596274.db2.gz NISGVJWYODFRBX-KKOKHZNYSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330945 974596277 /nfs/dbraw/zinc/59/62/77/974596277.db2.gz NISGVJWYODFRBX-KKOKHZNYSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172338985 974603129 /nfs/dbraw/zinc/60/31/29/974603129.db2.gz NISGVJWYODFRBX-WRWGMCAJSA-N 1 2 235.318 2.572 20 0 BFADLO CCC=CNc1[nH+]cnc2[nH]c(C)cc21 ZINC001159667630 972011122 /nfs/dbraw/zinc/01/11/22/972011122.db2.gz DTPPNSHEVRGTJX-SNAWJCMRSA-N 1 2 202.261 2.602 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001329876892 972072743 /nfs/dbraw/zinc/07/27/43/972072743.db2.gz OWWIDALSLHMXCD-SECBINFHSA-N 1 2 236.363 2.549 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001329876892 972072746 /nfs/dbraw/zinc/07/27/46/972072746.db2.gz OWWIDALSLHMXCD-SECBINFHSA-N 1 2 236.363 2.549 20 0 BFADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1c[nH+]ccc1C ZINC001170956678 972152119 /nfs/dbraw/zinc/15/21/19/972152119.db2.gz SRPGHSORAQIBDK-RYUDHWBXSA-N 1 2 248.326 2.534 20 0 BFADLO CC/C=C\CCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001208134974 956980399 /nfs/dbraw/zinc/98/03/99/956980399.db2.gz VHIGTIHDMLFXDJ-RXNFCKPNSA-N 1 2 247.329 2.825 20 0 BFADLO CC/C=C\CCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001208134974 956980414 /nfs/dbraw/zinc/98/04/14/956980414.db2.gz VHIGTIHDMLFXDJ-RXNFCKPNSA-N 1 2 247.329 2.825 20 0 BFADLO CN(C[C@@H]1CC1(C)C)c1ccc(Cl)c(N)[nH+]1 ZINC001167090297 957254263 /nfs/dbraw/zinc/25/42/63/957254263.db2.gz NQOJZEWUZGGSGE-QMMMGPOBSA-N 1 2 239.750 2.800 20 0 BFADLO COCc1cc[nH+]c(N(C)C[C@@H]2CC2(C)C)c1 ZINC001167090493 957259455 /nfs/dbraw/zinc/25/94/55/957259455.db2.gz AZQGUUBWNFVQOE-LBPRGKRZSA-N 1 2 234.343 2.710 20 0 BFADLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)c(F)n1 ZINC001210286961 957714407 /nfs/dbraw/zinc/71/44/07/957714407.db2.gz HXAOJFXKKHOYLU-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1cc(C)c(N)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210287764 957716418 /nfs/dbraw/zinc/71/64/18/957716418.db2.gz DLLKYUQAFQTKPF-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(O)cc2F)cc1N ZINC001210287769 957716467 /nfs/dbraw/zinc/71/64/67/957716467.db2.gz DPDVAYCXYICXNT-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1Nc1ccn(C)n1 ZINC001210351123 957728340 /nfs/dbraw/zinc/72/83/40/957728340.db2.gz MVUAUUDSZMGFGE-UHFFFAOYSA-N 1 2 230.315 2.991 20 0 BFADLO Cc1ccc(O)c(Nc2cccc([C@H](C)O)c2)[nH+]1 ZINC001210503972 957766306 /nfs/dbraw/zinc/76/63/06/957766306.db2.gz RNJKTGOLVKUERI-JTQLQIEISA-N 1 2 244.294 2.893 20 0 BFADLO FC(F)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000149947484 957818565 /nfs/dbraw/zinc/81/85/65/957818565.db2.gz GTJSOQUBUFHHML-UHFFFAOYSA-N 1 2 210.183 2.678 20 0 BFADLO COc1cc(Nc2cnc(C)c(C)n2)cc(C)[nH+]1 ZINC001210774392 957872744 /nfs/dbraw/zinc/87/27/44/957872744.db2.gz MRPPHCQTKXRKOJ-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1ccc2c(C[NH+]3CCC(=O)CC3)c[nH]c2c1 ZINC001136969731 972304385 /nfs/dbraw/zinc/30/43/85/972304385.db2.gz ZSXSOHWEPUILLX-UHFFFAOYSA-N 1 2 242.322 2.641 20 0 BFADLO C[N@H+](Cc1cncc(Cl)c1)Cc1ccccn1 ZINC001136988779 972312113 /nfs/dbraw/zinc/31/21/13/972312113.db2.gz SUFZLVYQLGYIFC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cncc(Cl)c1)Cc1ccccn1 ZINC001136988779 972312119 /nfs/dbraw/zinc/31/21/19/972312119.db2.gz SUFZLVYQLGYIFC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(SC)c1 ZINC001211068318 958013900 /nfs/dbraw/zinc/01/39/00/958013900.db2.gz YJQHUEHBVKOBIL-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COc1cc(F)c(F)cc1C[NH+]1CC(C)(C)C1 ZINC001143388005 958215548 /nfs/dbraw/zinc/21/55/48/958215548.db2.gz YQOXASXWLROFFC-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO Cc1c[nH+]cc(Nc2cnccc2F)c1C ZINC001213528728 958227184 /nfs/dbraw/zinc/22/71/84/958227184.db2.gz NKFZTGRUXKBOPL-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(Nc2c[nH+]cc(C)c2C)n(CCF)n1 ZINC001213528752 958227916 /nfs/dbraw/zinc/22/79/16/958227916.db2.gz OCHLJSOTVNWRFI-UHFFFAOYSA-N 1 2 248.305 2.916 20 0 BFADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]1C ZINC001143404845 958516112 /nfs/dbraw/zinc/51/61/12/958516112.db2.gz REPOLKHJIUMYFV-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@H]1C ZINC001143404845 958516119 /nfs/dbraw/zinc/51/61/19/958516119.db2.gz REPOLKHJIUMYFV-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1F ZINC000093091102 958662971 /nfs/dbraw/zinc/66/29/71/958662971.db2.gz GVMABTYKZFFLAU-JTQLQIEISA-N 1 2 236.290 2.568 20 0 BFADLO COc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1F ZINC000093091102 958662951 /nfs/dbraw/zinc/66/29/51/958662951.db2.gz GVMABTYKZFFLAU-JTQLQIEISA-N 1 2 236.290 2.568 20 0 BFADLO COc1c(F)cc(C[NH+]2CC=CC2)cc1Cl ZINC001143840259 972368932 /nfs/dbraw/zinc/36/89/32/972368932.db2.gz XSDHDKAKCPTJCH-UHFFFAOYSA-N 1 2 241.693 2.860 20 0 BFADLO O=C1C[N@H+](CCC2CCCCC2)CCC[C@@H]1F ZINC001207255471 958801921 /nfs/dbraw/zinc/80/19/21/958801921.db2.gz WYCYPUZIINKGLP-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1C[N@@H+](CCC2CCCCC2)CCC[C@@H]1F ZINC001207255471 958801914 /nfs/dbraw/zinc/80/19/14/958801914.db2.gz WYCYPUZIINKGLP-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1C[N@@H+](CCC2CCCCC2)CCC[C@H]1F ZINC001207255470 958802359 /nfs/dbraw/zinc/80/23/59/958802359.db2.gz WYCYPUZIINKGLP-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1C[N@H+](CCC2CCCCC2)CCC[C@H]1F ZINC001207255470 958802360 /nfs/dbraw/zinc/80/23/60/958802360.db2.gz WYCYPUZIINKGLP-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO COC/C(C)=C\C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000844311514 972380343 /nfs/dbraw/zinc/38/03/43/972380343.db2.gz YLBYGERUDURSQW-TWGQIWQCSA-N 1 2 248.326 2.538 20 0 BFADLO CC(C)C[C@@H](OCCn1cc[nH+]c1)C(C)C ZINC001222134331 972382102 /nfs/dbraw/zinc/38/21/02/972382102.db2.gz CSQQZZCMCBHDLF-CYBMUJFWSA-N 1 2 224.348 2.970 20 0 BFADLO Nc1cc(CNc2ccc(CF)cc2)cc[nH+]1 ZINC001167617820 959093208 /nfs/dbraw/zinc/09/32/08/959093208.db2.gz WABLXIQZDQEDGE-UHFFFAOYSA-N 1 2 231.274 2.745 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(CO)c(C)c1 ZINC001211570425 959246289 /nfs/dbraw/zinc/24/62/89/959246289.db2.gz FGNJFWMDTVCZNZ-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@H](C)[C@H]1C ZINC000405638875 959480516 /nfs/dbraw/zinc/48/05/16/959480516.db2.gz VEHVKSYTLQBHSZ-LALPHHSUSA-N 1 2 248.370 2.896 20 0 BFADLO CCc1cccc(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218006945 959829016 /nfs/dbraw/zinc/82/90/16/959829016.db2.gz PNJBITYLTPGFKR-GFCCVEGCSA-N 1 2 241.281 2.625 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[NH2+][C@@H](C)C1 ZINC001218062447 959851687 /nfs/dbraw/zinc/85/16/87/959851687.db2.gz UIQVZCSAJWYHNN-QWRGUYRKSA-N 1 2 237.368 2.803 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[NH2+][C@H](C)C1 ZINC001218062446 959852914 /nfs/dbraw/zinc/85/29/14/959852914.db2.gz UIQVZCSAJWYHNN-MNOVXSKESA-N 1 2 237.368 2.803 20 0 BFADLO COc1cc(Cn2cc[nH+]c2)ccc1Cl ZINC001167727566 960253148 /nfs/dbraw/zinc/25/31/48/960253148.db2.gz CUHRWQHKFLOMLW-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO Cc1ncoc1C[N@@H+]1Cc2cccc(C)c2C1 ZINC001141051863 960264948 /nfs/dbraw/zinc/26/49/48/960264948.db2.gz TZTKKDOGMRYVQB-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1ncoc1C[N@H+]1Cc2cccc(C)c2C1 ZINC001141051863 960264954 /nfs/dbraw/zinc/26/49/54/960264954.db2.gz TZTKKDOGMRYVQB-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1nc(N[C@H]2CCCC3(CC3)C2)cc[nH+]1 ZINC000695696752 960377571 /nfs/dbraw/zinc/37/75/71/960377571.db2.gz IESKXFZXDBBHDT-NSHDSACASA-N 1 2 217.316 2.920 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@@H]2C)cc(C)c1O ZINC001140657649 960480463 /nfs/dbraw/zinc/48/04/63/960480463.db2.gz BYBQQQIQRNUATO-LBPRGKRZSA-N 1 2 247.338 2.562 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc(C)c1O ZINC001140657649 960480473 /nfs/dbraw/zinc/48/04/73/960480473.db2.gz BYBQQQIQRNUATO-LBPRGKRZSA-N 1 2 247.338 2.562 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(OC)cc2C)C1 ZINC001140678221 960481791 /nfs/dbraw/zinc/48/17/91/960481791.db2.gz UVTSQQMGDWVUGR-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)c(C)c1 ZINC001140673931 960485954 /nfs/dbraw/zinc/48/59/54/960485954.db2.gz ZIOLYLQJWQUCNC-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)c(C)c1 ZINC001140673931 960485960 /nfs/dbraw/zinc/48/59/60/960485960.db2.gz ZIOLYLQJWQUCNC-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(Cl)ccc1N ZINC001140716714 960527320 /nfs/dbraw/zinc/52/73/20/960527320.db2.gz YIHVKYVXCMRRQQ-KCJUWKMLSA-N 1 2 242.725 2.855 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(Cl)ccc1N ZINC001140716714 960527331 /nfs/dbraw/zinc/52/73/31/960527331.db2.gz YIHVKYVXCMRRQQ-KCJUWKMLSA-N 1 2 242.725 2.855 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140890205 960664942 /nfs/dbraw/zinc/66/49/42/960664942.db2.gz YYGGRFHYRKIPSF-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140890205 960664964 /nfs/dbraw/zinc/66/49/64/960664964.db2.gz YYGGRFHYRKIPSF-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2ccc(C)cc2)n[nH]1 ZINC001203076884 960684761 /nfs/dbraw/zinc/68/47/61/960684761.db2.gz LQEXZYVTQNAPTM-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2ccc(C)cc2)n[nH]1 ZINC001203076884 960684767 /nfs/dbraw/zinc/68/47/67/960684767.db2.gz LQEXZYVTQNAPTM-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO CC(C)(C)c1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141106322 960869027 /nfs/dbraw/zinc/86/90/27/960869027.db2.gz XPFVRKHFDKAEQU-CABCVRRESA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC001141106322 960869029 /nfs/dbraw/zinc/86/90/29/960869029.db2.gz XPFVRKHFDKAEQU-CABCVRRESA-N 1 2 245.366 2.957 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C)cc1F ZINC001141196249 960918199 /nfs/dbraw/zinc/91/81/99/960918199.db2.gz NMUDDXBAOWUMNC-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C)cc1F ZINC001141196249 960918221 /nfs/dbraw/zinc/91/82/21/960918221.db2.gz NMUDDXBAOWUMNC-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001141191583 960922978 /nfs/dbraw/zinc/92/29/78/960922978.db2.gz PDCCEYYRNKECTM-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001141191583 960923016 /nfs/dbraw/zinc/92/30/16/960923016.db2.gz PDCCEYYRNKECTM-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(F)c1 ZINC001141195300 960928821 /nfs/dbraw/zinc/92/88/21/960928821.db2.gz IMFCYSZJYSJDIZ-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(F)c1 ZINC001141195300 960928872 /nfs/dbraw/zinc/92/88/72/960928872.db2.gz IMFCYSZJYSJDIZ-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001141192083 960932718 /nfs/dbraw/zinc/93/27/18/960932718.db2.gz PDCCEYYRNKECTM-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO COc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001141218304 960973812 /nfs/dbraw/zinc/97/38/12/960973812.db2.gz JPABZLSMMFACMT-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cccc(C[N@H+]2C[C@H](F)C[C@H]2C)c1F ZINC001141218304 960973822 /nfs/dbraw/zinc/97/38/22/960973822.db2.gz JPABZLSMMFACMT-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO [NH2+]=CNc1ncc(Cl)c2ccccc21 ZINC001167863833 961330775 /nfs/dbraw/zinc/33/07/75/961330775.db2.gz GBOJIARBPOKSHV-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CCN(CC)c1ccc(N[C@@H]2CO[C@H](C)C2)c[nH+]1 ZINC000401947058 961689193 /nfs/dbraw/zinc/68/91/93/961689193.db2.gz JREPYYATUQTSKE-YPMHNXCESA-N 1 2 249.358 2.517 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000293067965 961895151 /nfs/dbraw/zinc/89/51/51/961895151.db2.gz NZCYCXXUVQGHBX-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000293067965 961895149 /nfs/dbraw/zinc/89/51/49/961895149.db2.gz NZCYCXXUVQGHBX-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO CCOc1ccc(C[NH+]2CCC2)c(F)c1F ZINC001143265423 961980000 /nfs/dbraw/zinc/98/00/00/961980000.db2.gz AJHUUOZJGGOGJT-UHFFFAOYSA-N 1 2 227.254 2.569 20 0 BFADLO Cc1csc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001204375225 962105592 /nfs/dbraw/zinc/10/55/92/962105592.db2.gz ZXTZCLXUNIBPOB-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1csc(C[N@H+]2C[C@@H](C)C[C@H]2CF)n1 ZINC001204375225 962105600 /nfs/dbraw/zinc/10/56/00/962105600.db2.gz ZXTZCLXUNIBPOB-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO CSc1nc(NCC(C)(F)F)cc(C)[nH+]1 ZINC001154851724 962871285 /nfs/dbraw/zinc/87/12/85/962871285.db2.gz BULVSHOQJCMYCS-UHFFFAOYSA-N 1 2 233.287 2.574 20 0 BFADLO COc1cc(-c2cccc3[nH+]ccn32)ccc1N ZINC000712379898 962875552 /nfs/dbraw/zinc/87/55/52/962875552.db2.gz FMOXBKLTLRCBNM-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CSc1cc[nH+]c(NCc2cnoc2C)c1 ZINC001154887598 962883825 /nfs/dbraw/zinc/88/38/25/962883825.db2.gz OGYWWENNXJFFOD-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO CSc1cc[nH+]c(NCc2ccccc2N)c1 ZINC001155988672 963227486 /nfs/dbraw/zinc/22/74/86/963227486.db2.gz ZPBUDEURDQDGNP-UHFFFAOYSA-N 1 2 245.351 2.998 20 0 BFADLO C=Cc1ccc(NC[C@@H]2CCCCO2)[nH+]c1 ZINC001156377863 963326148 /nfs/dbraw/zinc/32/61/48/963326148.db2.gz RDESXQOEJGPZRS-LBPRGKRZSA-N 1 2 218.300 2.706 20 0 BFADLO CCc1cc(N2C[C@@H](C)CC23CC3)nc(C)[nH+]1 ZINC001156420494 963341167 /nfs/dbraw/zinc/34/11/67/963341167.db2.gz SJSZWIVEBPWYGJ-JTQLQIEISA-N 1 2 231.343 2.726 20 0 BFADLO CCc1nc(N2C[C@@H](C)CC23CC3)cc(C)[nH+]1 ZINC001156425344 963347427 /nfs/dbraw/zinc/34/74/27/963347427.db2.gz MNYQDDGOQUKGSU-JTQLQIEISA-N 1 2 231.343 2.726 20 0 BFADLO COC(C)(C)CNc1cc(SC)cc[nH+]1 ZINC001156440097 963349906 /nfs/dbraw/zinc/34/99/06/963349906.db2.gz SLKHYFUNOXLCOX-UHFFFAOYSA-N 1 2 226.345 2.640 20 0 BFADLO CC(=CC(=O)OC(C)C)Nc1cc(C)c(C)c[nH+]1 ZINC001156514955 963377082 /nfs/dbraw/zinc/37/70/82/963377082.db2.gz NDGVWWGHDFCXEN-GHXNOFRVSA-N 1 2 248.326 2.966 20 0 BFADLO CCCc1cc(N2CCC[C@H]3C[C@H]32)nc(C)[nH+]1 ZINC001157135887 963543301 /nfs/dbraw/zinc/54/33/01/963543301.db2.gz YANJZKKREWZAOE-WCQYABFASA-N 1 2 231.343 2.726 20 0 BFADLO CC[C@H](C)Nc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001157230908 963559541 /nfs/dbraw/zinc/55/95/41/963559541.db2.gz LSZLCDWBJDBYCR-VIFPVBQESA-N 1 2 238.335 2.516 20 0 BFADLO CSCc1cc[nH+]c(N(C)Cc2ccno2)c1 ZINC001157354502 963582032 /nfs/dbraw/zinc/58/20/32/963582032.db2.gz BFEDZQIIPCEYGA-UHFFFAOYSA-N 1 2 249.339 2.569 20 0 BFADLO CCSc1cc[nH+]c(NCC2CC(=O)C2)c1 ZINC001157611077 963679604 /nfs/dbraw/zinc/67/96/04/963679604.db2.gz DSTRWWIMFSVKNS-UHFFFAOYSA-N 1 2 236.340 2.585 20 0 BFADLO Cc1cc(NC[C@@H]2CC(C)(C)O2)nc(C2CC2)[nH+]1 ZINC001157664311 963694301 /nfs/dbraw/zinc/69/43/01/963694301.db2.gz QQSBBUITIMHIIN-NSHDSACASA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(NC[C@H]2CC(C)(C)O2)nc(C2CC2)[nH+]1 ZINC001157664310 963695399 /nfs/dbraw/zinc/69/53/99/963695399.db2.gz QQSBBUITIMHIIN-LLVKDONJSA-N 1 2 247.342 2.642 20 0 BFADLO CN(c1ccc(C(C)(C)C)c[nH+]1)[C@H]1CCOC1 ZINC001158574146 963891530 /nfs/dbraw/zinc/89/15/30/963891530.db2.gz PZCYVOCJECAOBQ-LBPRGKRZSA-N 1 2 234.343 2.604 20 0 BFADLO Cc1ccc(N2CCc3cccc(N)c32)c(C)[nH+]1 ZINC001203380682 963897323 /nfs/dbraw/zinc/89/73/23/963897323.db2.gz LVWLXJNMUYOOHV-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO CSc1cc[nH+]c(NCc2ncccc2O)c1 ZINC001158774923 963923587 /nfs/dbraw/zinc/92/35/87/963923587.db2.gz XBDXYNMMCJKBMW-UHFFFAOYSA-N 1 2 247.323 2.516 20 0 BFADLO Cc1c(F)ccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001159281929 964053674 /nfs/dbraw/zinc/05/36/74/964053674.db2.gz JFUGDLFRVRIZCM-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO Cn1c(Nc2[nH+]cccc2N)cc2ccccc21 ZINC001212040853 964170099 /nfs/dbraw/zinc/17/00/99/964170099.db2.gz OZDDKYBOXLXFLN-UHFFFAOYSA-N 1 2 238.294 2.899 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)s1 ZINC001168308710 964408390 /nfs/dbraw/zinc/40/83/90/964408390.db2.gz HGPGQTSVSKXKLZ-DTWKUNHWSA-N 1 2 244.310 2.539 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)s1 ZINC001168308710 964408392 /nfs/dbraw/zinc/40/83/92/964408392.db2.gz HGPGQTSVSKXKLZ-DTWKUNHWSA-N 1 2 244.310 2.539 20 0 BFADLO c1ncc(Nc2cccc3[nH+]c[nH]c32)s1 ZINC001213026956 964421021 /nfs/dbraw/zinc/42/10/21/964421021.db2.gz AYSSJEDOTSLIHW-UHFFFAOYSA-N 1 2 216.269 2.763 20 0 BFADLO CCC1(Nc2ccc([NH+](C)C)c(C)c2)COC1 ZINC001168325242 964450280 /nfs/dbraw/zinc/45/02/80/964450280.db2.gz LGFPBRWVEDFOOS-UHFFFAOYSA-N 1 2 234.343 2.652 20 0 BFADLO Cn1ncc(Cl)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028060 964460403 /nfs/dbraw/zinc/46/04/03/964460403.db2.gz HFQBUUSPBBIOSK-UHFFFAOYSA-N 1 2 247.689 2.693 20 0 BFADLO c1nscc1Nc1cccc2[nH+]c[nH]c21 ZINC001213029927 964537881 /nfs/dbraw/zinc/53/78/81/964537881.db2.gz YKGAFELOTIMLSH-UHFFFAOYSA-N 1 2 216.269 2.763 20 0 BFADLO Oc1ccc(Nc2cccc3[nH+]c[nH]c32)c(O)c1 ZINC001213030679 964548917 /nfs/dbraw/zinc/54/89/17/964548917.db2.gz MDFQFGYBRVWBBP-UHFFFAOYSA-N 1 2 241.250 2.718 20 0 BFADLO Cc1nc(NCc2c[nH+]cn2C(C)C)ccc1F ZINC001161563324 964643973 /nfs/dbraw/zinc/64/39/73/964643973.db2.gz ZEPSULVMIOBEEN-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO COc1ccc2cc(NCC(F)F)[nH+]cc2c1 ZINC001161809713 964764650 /nfs/dbraw/zinc/76/46/50/964764650.db2.gz NFFRDOVEOANBPU-UHFFFAOYSA-N 1 2 238.237 2.920 20 0 BFADLO Cc1cc(C)n(CCNc2c[nH+]cc(C)c2C)n1 ZINC001162149056 964858478 /nfs/dbraw/zinc/85/84/78/964858478.db2.gz WLVSAJLCJLHCHM-UHFFFAOYSA-N 1 2 244.342 2.624 20 0 BFADLO Cc1ccc2cc(NCc3ncon3)[nH+]cc2c1 ZINC001162277839 964904834 /nfs/dbraw/zinc/90/48/34/964904834.db2.gz YNLALCYTZGSZGR-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO CCCC[C@H](Nc1ccc(C(C)C)c[nH+]1)C(N)=O ZINC001162279345 964906841 /nfs/dbraw/zinc/90/68/41/964906841.db2.gz CAKPPUSTTZWTST-LBPRGKRZSA-N 1 2 249.358 2.661 20 0 BFADLO Cc1cc(=[NH+]c2ccncc2Cl)s[nH]1 ZINC001212148111 965080504 /nfs/dbraw/zinc/08/05/04/965080504.db2.gz UWNOBZKSBYFDCI-UHFFFAOYSA-N 1 2 225.704 2.665 20 0 BFADLO Cc1nc2ncc(NC(=[NH2+])C(C)(C)C)nc2s1 ZINC001162657143 965094321 /nfs/dbraw/zinc/09/43/21/965094321.db2.gz HDYYOACWEHFXJE-UHFFFAOYSA-N 1 2 249.343 2.830 20 0 BFADLO Cc1ccc2c(ncnc2NC(=[NH2+])C(C)(C)C)n1 ZINC001162661982 965098961 /nfs/dbraw/zinc/09/89/61/965098961.db2.gz LEMUTBYDKYQBAV-UHFFFAOYSA-N 1 2 243.314 2.768 20 0 BFADLO COc1cc(C)c[nH+]c1N[C@H](C)c1ccno1 ZINC001163212615 965302742 /nfs/dbraw/zinc/30/27/42/965302742.db2.gz HWTCNIVRWGUXOH-SECBINFHSA-N 1 2 233.271 2.560 20 0 BFADLO CSc1cc[nH+]c(N[C@H](C)c2ccno2)c1 ZINC001163214673 965309801 /nfs/dbraw/zinc/30/98/01/965309801.db2.gz HFUYJASIXOYLRJ-MRVPVSSYSA-N 1 2 235.312 2.965 20 0 BFADLO C[N@@H+](Cc1cc(Cl)ncc1O)CC1CCC1 ZINC001233033269 965458567 /nfs/dbraw/zinc/45/85/67/965458567.db2.gz DFYDGNDJGLRRQF-UHFFFAOYSA-N 1 2 240.734 2.673 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cccc(O)c2F)C1 ZINC001233049642 965461483 /nfs/dbraw/zinc/46/14/83/965461483.db2.gz GEOSIALXQHRHEL-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(O)c2F)C1 ZINC001233049642 965461492 /nfs/dbraw/zinc/46/14/92/965461492.db2.gz GEOSIALXQHRHEL-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO CSc1cc[nH+]c(N2CC(C)(C)C2)c1 ZINC001163727023 965540201 /nfs/dbraw/zinc/54/02/01/965540201.db2.gz GSEKMKMFDPIXMI-UHFFFAOYSA-N 1 2 208.330 2.650 20 0 BFADLO CC1(C)C[C@H](CNc2cc3cc[nH]c3c[nH+]2)O1 ZINC001168450533 965739924 /nfs/dbraw/zinc/73/99/24/965739924.db2.gz PQACRDTUDVWELY-SNVBAGLBSA-N 1 2 231.299 2.542 20 0 BFADLO C[C@@H]1CC[C@@H](O)CN1c1cc2ccccc2c[nH+]1 ZINC001164119151 965744066 /nfs/dbraw/zinc/74/40/66/965744066.db2.gz MKLRSIQWWHDLAN-BXUZGUMPSA-N 1 2 242.322 2.584 20 0 BFADLO C[N@H+](CC(F)F)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168449245 965746298 /nfs/dbraw/zinc/74/62/98/965746298.db2.gz UMTFPADLTUXFJW-GFCCVEGCSA-N 1 2 243.272 2.880 20 0 BFADLO C[N@@H+](CC(F)F)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168449245 965746307 /nfs/dbraw/zinc/74/63/07/965746307.db2.gz UMTFPADLTUXFJW-GFCCVEGCSA-N 1 2 243.272 2.880 20 0 BFADLO CSc1cc[nH+]c(N2CC[C@@H](C)[C@H](F)C2)c1 ZINC001164177795 965780356 /nfs/dbraw/zinc/78/03/56/965780356.db2.gz QGZXYCNNXNDTCG-MWLCHTKSSA-N 1 2 240.347 2.988 20 0 BFADLO CC(C)c1ccc(N2[C@@H](C)CC[C@H]2CO)[nH+]c1 ZINC001164308010 965839805 /nfs/dbraw/zinc/83/98/05/965839805.db2.gz PFAZOMDYOLWJCJ-AAEUAGOBSA-N 1 2 234.343 2.555 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)CC[C@]1(C)O ZINC001164355184 965857082 /nfs/dbraw/zinc/85/70/82/965857082.db2.gz XRDFCCNGQGAEHE-ABAIWWIYSA-N 1 2 246.354 2.556 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001168479234 965876198 /nfs/dbraw/zinc/87/61/98/965876198.db2.gz JSTZNBQPFACTSG-RYUDHWBXSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC(=O)C[C@@H]1C ZINC001168479234 965876208 /nfs/dbraw/zinc/87/62/08/965876208.db2.gz JSTZNBQPFACTSG-RYUDHWBXSA-N 1 2 249.329 2.810 20 0 BFADLO CCc1cc(C[N@@H+](CC)Cc2cccnc2)on1 ZINC001203225922 965921981 /nfs/dbraw/zinc/92/19/81/965921981.db2.gz YYYPLKRLBZKGAM-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1cc(C[N@H+](CC)Cc2cccnc2)on1 ZINC001203225922 965921996 /nfs/dbraw/zinc/92/19/96/965921996.db2.gz YYYPLKRLBZKGAM-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CC1(F)CN(c2cc3ccccc3c[nH+]2)C1 ZINC001164582536 965924649 /nfs/dbraw/zinc/92/46/49/965924649.db2.gz STVAUTYQINJZMJ-UHFFFAOYSA-N 1 2 216.259 2.783 20 0 BFADLO Cc1cc2cc(NC[C@@H]3CCCCO3)[nH+]cc2[nH]1 ZINC001164673686 965941873 /nfs/dbraw/zinc/94/18/73/965941873.db2.gz QQNAVPWGGREMSI-LBPRGKRZSA-N 1 2 245.326 2.852 20 0 BFADLO CC(C)c1ccc(N2CC3(C2)CCCOC3)[nH+]c1 ZINC001165306054 966044092 /nfs/dbraw/zinc/04/40/92/966044092.db2.gz KLMAUEBWLRKBMP-UHFFFAOYSA-N 1 2 246.354 2.822 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)nc(C(C)C)[nH+]1 ZINC001165366427 966067961 /nfs/dbraw/zinc/06/79/61/966067961.db2.gz QRTFXEXYMMXXST-SDDRHHMPSA-N 1 2 249.333 2.703 20 0 BFADLO COC(C)(C)CNc1ccc([NH+](C)C)c(C)c1 ZINC001165853179 966172104 /nfs/dbraw/zinc/17/21/04/966172104.db2.gz MLIFFMGWHWNURB-UHFFFAOYSA-N 1 2 236.359 2.898 20 0 BFADLO CNc1ccc(Nc2cc(C)cc(F)n2)c[nH+]1 ZINC001203454450 966223986 /nfs/dbraw/zinc/22/39/86/966223986.db2.gz DTUFAJZSFYEQCR-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO Cc1nc(N(C)C(C)(C)C)c2c([nH+]1)CCC2 ZINC001166527646 966284318 /nfs/dbraw/zinc/28/43/18/966284318.db2.gz SYAWHXWWBLLNSX-UHFFFAOYSA-N 1 2 219.332 2.508 20 0 BFADLO Cc1c[nH+]c(N(C)C(C)(C)C)nc1NCC1CC1 ZINC001166527133 966285192 /nfs/dbraw/zinc/28/51/92/966285192.db2.gz URONVXRKYAMILD-UHFFFAOYSA-N 1 2 248.374 2.842 20 0 BFADLO C[C@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)[C@H]1C ZINC001166614396 966334323 /nfs/dbraw/zinc/33/43/23/966334323.db2.gz LFNSHCFSAQSXHG-IUCAKERBSA-N 1 2 239.750 2.942 20 0 BFADLO c1cn2ccc(C3=CCSCC3)cc2[nH+]1 ZINC001236367888 966382844 /nfs/dbraw/zinc/38/28/44/966382844.db2.gz USLNDDRSABUEEZ-UHFFFAOYSA-N 1 2 216.309 2.855 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@H]2CO3)[nH+]c2ccccc12 ZINC001166754603 966395868 /nfs/dbraw/zinc/39/58/68/966395868.db2.gz PITHEISXUXAOQN-RYUDHWBXSA-N 1 2 240.306 2.521 20 0 BFADLO CCc1cn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c[nH+]1 ZINC001166822466 966426778 /nfs/dbraw/zinc/42/67/78/966426778.db2.gz LOWXMIMNYYHDLW-TUAOUCFPSA-N 1 2 202.301 2.658 20 0 BFADLO OCC[C@H]1CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166851552 966432380 /nfs/dbraw/zinc/43/23/80/966432380.db2.gz AZPUBYSTQVOGCE-GFCCVEGCSA-N 1 2 246.354 2.558 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cc[nH]c(=O)c2)cc1 ZINC001212282144 966444817 /nfs/dbraw/zinc/44/48/17/966444817.db2.gz YZTRMNHREKGIBF-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cc[nH]c(=O)c2)cc1 ZINC001212282144 966444821 /nfs/dbraw/zinc/44/48/21/966444821.db2.gz YZTRMNHREKGIBF-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO C[C@H]1CC(=O)CCN1c1[nH+]ccc2ccccc21 ZINC001166933628 966446905 /nfs/dbraw/zinc/44/69/05/966446905.db2.gz KOZSMMADAAWHBI-NSHDSACASA-N 1 2 240.306 2.793 20 0 BFADLO CC(C)c1ccc(N2C[C@H]3CC[C@@H](C2)C3=O)[nH+]c1 ZINC001166945942 966469295 /nfs/dbraw/zinc/46/92/95/966469295.db2.gz CUODBDDZQPPFDS-BETUJISGSA-N 1 2 244.338 2.620 20 0 BFADLO CO[C@@H]1CCCN(c2ccc(C(C)C)c[nH+]2)C1 ZINC001166952495 966480563 /nfs/dbraw/zinc/48/05/63/966480563.db2.gz XPCGHDXLUWQZKD-CYBMUJFWSA-N 1 2 234.343 2.820 20 0 BFADLO CCc1cc(Nc2ccc(C)[nH+]c2C)on1 ZINC001203370294 966616682 /nfs/dbraw/zinc/61/66/82/966616682.db2.gz KQJCEEBPEZPEGN-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO CNc1ccc(Nc2cccc(Cl)n2)c[nH+]1 ZINC001203449076 966645774 /nfs/dbraw/zinc/64/57/74/966645774.db2.gz YSEKAFAFUJNNRK-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2cncc(C)c2)c[nH+]1 ZINC001203448339 966647373 /nfs/dbraw/zinc/64/73/73/966647373.db2.gz XXXSZCNCEGJZCX-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2ccc(Cl)nc2)c[nH+]1 ZINC001203448790 966647433 /nfs/dbraw/zinc/64/74/33/966647433.db2.gz KFKOCZOCAJVCBL-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2nc(C)cnc2Cl)c[nH+]1 ZINC001203449462 966650427 /nfs/dbraw/zinc/65/04/27/966650427.db2.gz GWADGHWIKAAUEE-UHFFFAOYSA-N 1 2 249.705 2.619 20 0 BFADLO CNc1ccc(Nc2ccc(N)cc2C)c[nH+]1 ZINC001203458618 966652641 /nfs/dbraw/zinc/65/26/41/966652641.db2.gz PIRINVCRUMKEDG-UHFFFAOYSA-N 1 2 228.299 2.758 20 0 BFADLO CNc1ccc(Nc2ccc3c(c2)CCO3)c[nH+]1 ZINC001203459185 966657362 /nfs/dbraw/zinc/65/73/62/966657362.db2.gz ZIIGGZZQPMMBRX-UHFFFAOYSA-N 1 2 241.294 2.802 20 0 BFADLO CNc1ccc(Nc2cc3ccccn3n2)c[nH+]1 ZINC001203454623 966657580 /nfs/dbraw/zinc/65/75/80/966657580.db2.gz HBCLAVGZWOFIPJ-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO CNc1ccc(Nc2ccc3c(c2)COC3)c[nH+]1 ZINC001203454319 966658608 /nfs/dbraw/zinc/65/86/08/966658608.db2.gz BJBWKMCYJDAEST-UHFFFAOYSA-N 1 2 241.294 2.897 20 0 BFADLO Cc1ccc2[nH+]c(NCc3cc[nH]c3)[nH]c2c1 ZINC001203479777 966661963 /nfs/dbraw/zinc/66/19/63/966661963.db2.gz XBOYHIZKWGYDPC-UHFFFAOYSA-N 1 2 226.283 2.812 20 0 BFADLO CCc1[nH]ncc1C[NH+]1C2CCCC1CCC2 ZINC001237653082 966687249 /nfs/dbraw/zinc/68/72/49/966687249.db2.gz INCADPABQDRMJL-UHFFFAOYSA-N 1 2 233.359 2.879 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncc(F)cc2N)c1 ZINC001203656674 966718094 /nfs/dbraw/zinc/71/80/94/966718094.db2.gz ZZJBZRXEXHYMKE-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO CCn1cc(Nc2cc(C)c[nH+]c2C)c(C)n1 ZINC001203654911 966719633 /nfs/dbraw/zinc/71/96/33/966719633.db2.gz RXBPTHBCLCHNAU-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nonc2C2CC2)c1 ZINC001203657092 966720299 /nfs/dbraw/zinc/72/02/99/966720299.db2.gz JBJYUPKMSGIKJP-UHFFFAOYSA-N 1 2 230.271 2.702 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nnccc2C)c1 ZINC001203657431 966720366 /nfs/dbraw/zinc/72/03/66/966720366.db2.gz MIEWKNLDIZCFHM-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]c(C)c(-n2cnc3ccc(N)cc32)c1 ZINC001203663434 966730560 /nfs/dbraw/zinc/73/05/60/966730560.db2.gz QPMHHSIIUFDYOI-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC001203899126 966818310 /nfs/dbraw/zinc/81/83/10/966818310.db2.gz SXUVCEDYAZMXLP-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ncc[nH]1 ZINC001203973972 966836311 /nfs/dbraw/zinc/83/63/11/966836311.db2.gz PPTAEJXGRFIRRO-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ncc[nH]1 ZINC001203973972 966836314 /nfs/dbraw/zinc/83/63/14/966836314.db2.gz PPTAEJXGRFIRRO-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO c1csc(C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC001203978989 966838439 /nfs/dbraw/zinc/83/84/39/966838439.db2.gz BNBHPXVZDUBPKD-UHFFFAOYSA-N 1 2 247.367 2.851 20 0 BFADLO CNc1ccc(Nc2ccc([C@@H](C)O)cc2)c[nH+]1 ZINC001203456792 966843820 /nfs/dbraw/zinc/84/38/20/966843820.db2.gz XEYZPDPSUFGMJU-SNVBAGLBSA-N 1 2 243.310 2.920 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1c[nH]c2ccccc12 ZINC001204048853 966867777 /nfs/dbraw/zinc/86/77/77/966867777.db2.gz RYLVCGAWALAJTM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1c[nH]c2ccccc12 ZINC001204048853 966867782 /nfs/dbraw/zinc/86/77/82/966867782.db2.gz RYLVCGAWALAJTM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001204223338 966928136 /nfs/dbraw/zinc/92/81/36/966928136.db2.gz CBYAGXHNEJJLSO-PSASIEDQSA-N 1 2 229.245 2.897 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001204223338 966928142 /nfs/dbraw/zinc/92/81/42/966928142.db2.gz CBYAGXHNEJJLSO-PSASIEDQSA-N 1 2 229.245 2.897 20 0 BFADLO COc1cccc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001239520363 966963212 /nfs/dbraw/zinc/96/32/12/966963212.db2.gz HEDPQUKWOJEPFF-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3nccc3C2)cc1C ZINC001204357113 966981667 /nfs/dbraw/zinc/98/16/67/966981667.db2.gz OIPJQYQYLGCODT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3nccc3C2)cc1C ZINC001204357113 966981670 /nfs/dbraw/zinc/98/16/70/966981670.db2.gz OIPJQYQYLGCODT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO c1cn(Cc2ccccc2-c2cccnc2)c[nH+]1 ZINC001239569171 967006051 /nfs/dbraw/zinc/00/60/51/967006051.db2.gz CMCXOKWJQHFLKW-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO C[C@]1(F)CCCC[N@H+](Cc2nccs2)C1 ZINC001204545518 967044047 /nfs/dbraw/zinc/04/40/47/967044047.db2.gz WFQSQKGRERXECV-NSHDSACASA-N 1 2 228.336 2.857 20 0 BFADLO C[C@]1(F)CCCC[N@@H+](Cc2nccs2)C1 ZINC001204545518 967044064 /nfs/dbraw/zinc/04/40/64/967044064.db2.gz WFQSQKGRERXECV-NSHDSACASA-N 1 2 228.336 2.857 20 0 BFADLO COc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1F ZINC001204560560 967059874 /nfs/dbraw/zinc/05/98/74/967059874.db2.gz DNCLBKHIDBWURC-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1F ZINC001204560560 967059888 /nfs/dbraw/zinc/05/98/88/967059888.db2.gz DNCLBKHIDBWURC-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1[nH+]c[nH]c1CN1Cc2cccc(Cl)c2C1 ZINC001204593877 967086845 /nfs/dbraw/zinc/08/68/45/967086845.db2.gz ZSPOBDAJDNHOLV-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Nc1cn2ccc(-c3cccc(F)c3F)cc2[nH+]1 ZINC001239704008 967099290 /nfs/dbraw/zinc/09/92/90/967099290.db2.gz DQYNYEZSOSKOPJ-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO CNc1ccc(CC(=O)c2ccccc2)c[nH+]1 ZINC001249884905 967129451 /nfs/dbraw/zinc/12/94/51/967129451.db2.gz JICUZFRLTGBNDQ-UHFFFAOYSA-N 1 2 226.279 2.549 20 0 BFADLO Cc1cc2cc(Nc3[nH+]cccc3N)cnc2[nH]1 ZINC001204896731 967219098 /nfs/dbraw/zinc/21/90/98/967219098.db2.gz OKXRUVXCLOVSCQ-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO Nc1cc2ccccc2n1-c1ccn2cc[nH+]c2c1 ZINC001204959572 967261730 /nfs/dbraw/zinc/26/17/30/967261730.db2.gz QKFXZBHTLWVZHN-UHFFFAOYSA-N 1 2 248.289 2.860 20 0 BFADLO c1cn2ccc(Nc3cnn4ccccc34)cc2[nH+]1 ZINC001204966493 967264552 /nfs/dbraw/zinc/26/45/52/967264552.db2.gz VKMZFFFFYHVISE-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1noc(C)c1Cc1cc(C)[nH+]c(C)c1 ZINC001250067592 967334657 /nfs/dbraw/zinc/33/46/57/967334657.db2.gz CPEWYXGMWSRDMO-UHFFFAOYSA-N 1 2 216.284 2.894 20 0 BFADLO COc1cc(F)c(C)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001250094260 967364138 /nfs/dbraw/zinc/36/41/38/967364138.db2.gz VFOPVEGPZSEYMV-LLVKDONJSA-N 1 2 241.281 2.687 20 0 BFADLO COc1cc(F)c(C)cc1C[N@H+]1CC[C@@H](F)C1 ZINC001250094260 967364144 /nfs/dbraw/zinc/36/41/44/967364144.db2.gz VFOPVEGPZSEYMV-LLVKDONJSA-N 1 2 241.281 2.687 20 0 BFADLO C[C@@H](CCCC(C)(C)O)Nc1cccc[nH+]1 ZINC001168691606 967386640 /nfs/dbraw/zinc/38/66/40/967386640.db2.gz FSMVOOWIAANFGE-NSHDSACASA-N 1 2 222.332 2.823 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+]1CCOC[C@H]1C ZINC001250172192 967473080 /nfs/dbraw/zinc/47/30/80/967473080.db2.gz WQVFWOIQSVTVBY-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+]1CCOC[C@H]1C ZINC001250172192 967473083 /nfs/dbraw/zinc/47/30/83/967473083.db2.gz WQVFWOIQSVTVBY-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1nc(N[C@H](C)CCCC(C)(C)O)cc[nH+]1 ZINC001168712132 967600687 /nfs/dbraw/zinc/60/06/87/967600687.db2.gz NLSIZHNPFKFNEQ-SNVBAGLBSA-N 1 2 237.347 2.527 20 0 BFADLO C[N@H+](CCF)Cc1ccc(C(F)(F)F)nc1 ZINC001205455577 967632968 /nfs/dbraw/zinc/63/29/68/967632968.db2.gz LYDJMAZATGWAEB-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(C(F)(F)F)nc1 ZINC001205455577 967632979 /nfs/dbraw/zinc/63/29/79/967632979.db2.gz LYDJMAZATGWAEB-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO Cc1cccc(Nc2ccc3c(c2)NC(=O)C3)[nH+]1 ZINC001250310473 967656824 /nfs/dbraw/zinc/65/68/24/967656824.db2.gz GDTQGXKIKDZLIG-UHFFFAOYSA-N 1 2 239.278 2.628 20 0 BFADLO c1cc(Cc2ccc(N3CCCC3)[nH+]c2)ccn1 ZINC001250312905 967664446 /nfs/dbraw/zinc/66/44/46/967664446.db2.gz PTLITNMHGLAWOC-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO c1cn(CCc2ccc3occc3c2)c[nH+]1 ZINC001250315356 967677576 /nfs/dbraw/zinc/67/75/76/967677576.db2.gz KKOBNIGOGFVSCG-UHFFFAOYSA-N 1 2 212.252 2.872 20 0 BFADLO c1cn(CCc2ccc3ncccc3c2)c[nH+]1 ZINC001250316733 967690874 /nfs/dbraw/zinc/69/08/74/967690874.db2.gz VDPNAZAPSLASFT-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO c1cn(CCc2ccc3ccccc3n2)c[nH+]1 ZINC001250319458 967693484 /nfs/dbraw/zinc/69/34/84/967693484.db2.gz RKAVSJMLEVGCNQ-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO Cc1ncc(C2CC2)cc1CCn1cc[nH+]c1 ZINC001250318676 967695149 /nfs/dbraw/zinc/69/51/49/967695149.db2.gz KDUFCIOHFGGOSF-UHFFFAOYSA-N 1 2 227.311 2.707 20 0 BFADLO Fc1ccc(Cl)c(CCn2cc[nH+]c2)c1 ZINC001250319921 967696783 /nfs/dbraw/zinc/69/67/83/967696783.db2.gz GTSCVNKDOSJXEI-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO Cc1c(F)ccc(F)c1CCn1cc[nH+]c1 ZINC001250320011 967697920 /nfs/dbraw/zinc/69/79/20/967697920.db2.gz HBVDMIUEBGARFF-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO Clc1cc2n[nH]cc2c(CCn2cc[nH+]c2)c1 ZINC001250320147 967698215 /nfs/dbraw/zinc/69/82/15/967698215.db2.gz IHCFNGSRHOHLKE-UHFFFAOYSA-N 1 2 246.701 2.656 20 0 BFADLO CSc1ncc(CCn2cc[nH+]c2)cc1C ZINC001250321237 967699172 /nfs/dbraw/zinc/69/91/72/967699172.db2.gz YNLQNXNTGNQXTO-UHFFFAOYSA-N 1 2 233.340 2.551 20 0 BFADLO Cc1cccc(Cc2ccc(C)[nH+]c2C)n1 ZINC001250424385 967834505 /nfs/dbraw/zinc/83/45/05/967834505.db2.gz JKQZGFPVHNCVTE-UHFFFAOYSA-N 1 2 212.296 2.993 20 0 BFADLO CCCc1[nH+]c2ccc(OCC)cc2n1C ZINC001250426433 967842937 /nfs/dbraw/zinc/84/29/37/967842937.db2.gz WXCXTFJDUBSGTG-UHFFFAOYSA-N 1 2 218.300 2.925 20 0 BFADLO COc1cc[nH+]cc1Nc1cnn(CC(C)C)c1 ZINC001205843936 967850734 /nfs/dbraw/zinc/85/07/34/967850734.db2.gz GOOVOXQJXBTIFV-UHFFFAOYSA-N 1 2 246.314 2.686 20 0 BFADLO Oc1cccc(Nc2cccc3[nH+]ccn32)c1F ZINC001212545811 967859576 /nfs/dbraw/zinc/85/95/76/967859576.db2.gz PPSVTVYXBKFNKT-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CCc1cc(N2C[C@@H](C)C[C@@H]2C)nc(CC)[nH+]1 ZINC001162596713 967871285 /nfs/dbraw/zinc/87/12/85/967871285.db2.gz ACRSYLBPRTZNPB-QWRGUYRKSA-N 1 2 233.359 2.836 20 0 BFADLO CC[C@@H](CO)Nc1[nH+]c(C)cc(Cl)c1C ZINC001163045641 967986406 /nfs/dbraw/zinc/98/64/06/967986406.db2.gz SGLPEIILCJHSTL-VIFPVBQESA-N 1 2 228.723 2.535 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)co1 ZINC001206040295 968004112 /nfs/dbraw/zinc/00/41/12/968004112.db2.gz ALJDULNVAWCZAE-SNVBAGLBSA-N 1 2 248.248 2.552 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)co1 ZINC001206040295 968004124 /nfs/dbraw/zinc/00/41/24/968004124.db2.gz ALJDULNVAWCZAE-SNVBAGLBSA-N 1 2 248.248 2.552 20 0 BFADLO Cc1cc(F)cc2[nH+]c([C@H]3CCCOC3)[nH]c21 ZINC001250550371 968055782 /nfs/dbraw/zinc/05/57/82/968055782.db2.gz XWIYELUQRHMOIU-VIFPVBQESA-N 1 2 234.274 2.904 20 0 BFADLO c1c2c(cc3[nH+]c([C@H]4CCCOC4)[nH]c13)CCC2 ZINC001250550265 968056030 /nfs/dbraw/zinc/05/60/30/968056030.db2.gz SVLCNOAUYWZIKZ-LBPRGKRZSA-N 1 2 242.322 2.946 20 0 BFADLO CS[C@@H](C)Cc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250568260 968085796 /nfs/dbraw/zinc/08/57/96/968085796.db2.gz WABAOGWBAZALRW-QMMMGPOBSA-N 1 2 248.351 2.792 20 0 BFADLO CCc1[nH]nc(Cl)c1C[NH+]1CC2(CCC2)C1 ZINC001206187784 968116223 /nfs/dbraw/zinc/11/62/23/968116223.db2.gz VYWSEZGFBWHQCY-UHFFFAOYSA-N 1 2 239.750 2.611 20 0 BFADLO COc1ccc2[nH+]c(N3CC=CC3)cc(C)c2c1 ZINC001163916866 968131789 /nfs/dbraw/zinc/13/17/89/968131789.db2.gz BHXPJTCXKPZAEP-UHFFFAOYSA-N 1 2 240.306 2.928 20 0 BFADLO CC[N@H+](Cc1cn(C)cn1)Cc1cccc(F)c1 ZINC001206241970 968165746 /nfs/dbraw/zinc/16/57/46/968165746.db2.gz CAQJCORUTOJKGU-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1cn(C)cn1)Cc1cccc(F)c1 ZINC001206241970 968165753 /nfs/dbraw/zinc/16/57/53/968165753.db2.gz CAQJCORUTOJKGU-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO Nc1ccccc1Nc1cccc2[nH+]ccn21 ZINC001206299414 968207934 /nfs/dbraw/zinc/20/79/34/968207934.db2.gz DOIJACRCASYSLQ-UHFFFAOYSA-N 1 2 224.267 2.660 20 0 BFADLO Cn1c2ccccc2nc1-c1ccn2cc[nH+]c2c1 ZINC001250927861 968218427 /nfs/dbraw/zinc/21/84/27/968218427.db2.gz LVROBHNMRZMYPX-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CC(C)CCCCNc1cc(CO)cc[nH+]1 ZINC001206365540 968258523 /nfs/dbraw/zinc/25/85/23/968258523.db2.gz CIFNHHGQCGVNAW-UHFFFAOYSA-N 1 2 222.332 2.812 20 0 BFADLO CCOc1cc(Nc2ccc[nH]c2=O)cc(C)[nH+]1 ZINC001206439590 968308702 /nfs/dbraw/zinc/30/87/02/968308702.db2.gz LCTSEQZPICMGOW-UHFFFAOYSA-N 1 2 245.282 2.633 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(O)cc(F)c1 ZINC001206760176 968457889 /nfs/dbraw/zinc/45/78/89/968457889.db2.gz KCBVKRYLXWBTBE-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO C[C@]1(F)CCCC[N@H+](Cc2ccncc2F)C1 ZINC001206783869 968467849 /nfs/dbraw/zinc/46/78/49/968467849.db2.gz UKXQXSWPUZKFSG-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@]1(F)CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001206783869 968467853 /nfs/dbraw/zinc/46/78/53/968467853.db2.gz UKXQXSWPUZKFSG-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO CCCC[C@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252076794 968494011 /nfs/dbraw/zinc/49/40/11/968494011.db2.gz BZADFGCAMJBXKA-LBPRGKRZSA-N 1 2 247.342 2.606 20 0 BFADLO Fc1ccc(C[N@H+]2CCCC[C@@H](F)C2)nc1 ZINC001207037958 968569279 /nfs/dbraw/zinc/56/92/79/968569279.db2.gz DPVMOHYRDRXUIZ-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)nc1 ZINC001207037958 968569286 /nfs/dbraw/zinc/56/92/86/968569286.db2.gz DPVMOHYRDRXUIZ-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1ncccc1C[N@H+](C)Cc1ccc(F)cn1 ZINC001207042993 968575103 /nfs/dbraw/zinc/57/51/03/968575103.db2.gz BHZKVJVRSAZMOM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncccc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC001207042993 968575114 /nfs/dbraw/zinc/57/51/14/968575114.db2.gz BHZKVJVRSAZMOM-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC1(C)CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207050975 968581913 /nfs/dbraw/zinc/58/19/13/968581913.db2.gz GNAZVGHYTBNBRC-UHFFFAOYSA-N 1 2 243.354 2.956 20 0 BFADLO c1[nH+]c(CN2CC3CCC2CC3)n2ccccc12 ZINC001207053527 968584568 /nfs/dbraw/zinc/58/45/68/968584568.db2.gz VAZBHUWPODTUHH-UHFFFAOYSA-N 1 2 241.338 2.709 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1NCC(C)(C)O ZINC001252350146 968629391 /nfs/dbraw/zinc/62/93/91/968629391.db2.gz FADXPBNZPHWGJY-UHFFFAOYSA-N 1 2 222.332 2.696 20 0 BFADLO Fc1cccc(CCC[NH+]2C[C@@H](F)[C@H](F)C2)c1 ZINC001207599497 968826981 /nfs/dbraw/zinc/82/69/81/968826981.db2.gz RLSAHNXLRMWWGH-CHWSQXEVSA-N 1 2 243.272 2.750 20 0 BFADLO Cc1ccc(-c2cccn3cc[nH+]c23)cc1N ZINC001240962005 968838261 /nfs/dbraw/zinc/83/82/61/968838261.db2.gz HMHJAZQCQBONLZ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1nc(NCCCCC2CC2)cc[nH+]1 ZINC000716343065 968961609 /nfs/dbraw/zinc/96/16/09/968961609.db2.gz HPFTYJNNKJWATD-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO CCC[C@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001252788212 968964196 /nfs/dbraw/zinc/96/41/96/968964196.db2.gz VPKWVZAQNIIIIH-ZDUSSCGKSA-N 1 2 230.311 2.808 20 0 BFADLO CCC[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001252794014 968976881 /nfs/dbraw/zinc/97/68/81/968976881.db2.gz OATCBYCUSKQUGJ-ZDUSSCGKSA-N 1 2 245.326 2.650 20 0 BFADLO COc1ncc(-c2ccc3[nH+]ccn3c2C)s1 ZINC001241417647 968999274 /nfs/dbraw/zinc/99/92/74/968999274.db2.gz IGCWYEHLPIGAMQ-UHFFFAOYSA-N 1 2 245.307 2.775 20 0 BFADLO CCc1ccc(-c2nnc(C[NH+]3CCC3)o2)cc1 ZINC001252992196 969070154 /nfs/dbraw/zinc/07/01/54/969070154.db2.gz NQNGBDFAYLONSM-UHFFFAOYSA-N 1 2 243.310 2.505 20 0 BFADLO CSc1ccc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001241636588 969077125 /nfs/dbraw/zinc/07/71/25/969077125.db2.gz BPIDZLACUQRESO-UHFFFAOYSA-N 1 2 243.335 2.834 20 0 BFADLO OCc1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001241789209 969117107 /nfs/dbraw/zinc/11/71/07/969117107.db2.gz TULDUEMKFMJHKT-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1noc(C)c1-c1cc(N2CCCC2)cc[nH+]1 ZINC001242105581 969204272 /nfs/dbraw/zinc/20/42/72/969204272.db2.gz QZUDTWNODQDDLT-UHFFFAOYSA-N 1 2 243.310 2.954 20 0 BFADLO CC/C=C\CC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001208733881 969221277 /nfs/dbraw/zinc/22/12/77/969221277.db2.gz LCCNOTYHFCPIJK-ABCZVMIZSA-N 1 2 246.354 2.811 20 0 BFADLO CC/C=C\CC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001208733881 969221284 /nfs/dbraw/zinc/22/12/84/969221284.db2.gz LCCNOTYHFCPIJK-ABCZVMIZSA-N 1 2 246.354 2.811 20 0 BFADLO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)nc1 ZINC001168854813 969234435 /nfs/dbraw/zinc/23/44/35/969234435.db2.gz QJWHQNAVZPQFBQ-JTQLQIEISA-N 1 2 228.299 2.662 20 0 BFADLO Cc1ccsc1C[N@@H+]1Cc2cccnc2C1 ZINC001204019166 969286353 /nfs/dbraw/zinc/28/63/53/969286353.db2.gz OMWASMMZQSPFLA-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1ccsc1C[N@H+]1Cc2cccnc2C1 ZINC001204019166 969286365 /nfs/dbraw/zinc/28/63/65/969286365.db2.gz OMWASMMZQSPFLA-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CCOC(C)(C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209066806 969344456 /nfs/dbraw/zinc/34/44/56/969344456.db2.gz NOOQPBIGJDTQHZ-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO CCOC(C)(C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001209066806 969344460 /nfs/dbraw/zinc/34/44/60/969344460.db2.gz NOOQPBIGJDTQHZ-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)c(C)c2)[nH]n1 ZINC001254041135 969457094 /nfs/dbraw/zinc/45/70/94/969457094.db2.gz YLQUCDCOZXULQH-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)c(C)c2)n[nH]1 ZINC001254041135 969457100 /nfs/dbraw/zinc/45/71/00/969457100.db2.gz YLQUCDCOZXULQH-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO COc1cccnc1CNc1c[nH+]c(C)c(C)c1 ZINC001169209903 969484656 /nfs/dbraw/zinc/48/46/56/969484656.db2.gz HPYBXVSCOQZBGA-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@H]1C[C@@H]1C[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425557 969494288 /nfs/dbraw/zinc/49/42/88/969494288.db2.gz FQKVZFOGDHKHQW-DTWKUNHWSA-N 1 2 222.719 2.707 20 0 BFADLO C[C@H]1C[C@@H]1C[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425557 969494295 /nfs/dbraw/zinc/49/42/95/969494295.db2.gz FQKVZFOGDHKHQW-DTWKUNHWSA-N 1 2 222.719 2.707 20 0 BFADLO O=C1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC001209448019 969520345 /nfs/dbraw/zinc/52/03/45/969520345.db2.gz UJZMEMPSQMYKCC-UHFFFAOYSA-N 1 2 247.382 2.868 20 0 BFADLO O=C1CC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC001209448019 969520350 /nfs/dbraw/zinc/52/03/50/969520350.db2.gz UJZMEMPSQMYKCC-UHFFFAOYSA-N 1 2 247.382 2.868 20 0 BFADLO C/C(=C\C=C\[NH3+])N[C@H](C1CCC1)C(F)(F)F ZINC001169286398 969553000 /nfs/dbraw/zinc/55/30/00/969553000.db2.gz UOGMMLLUJFWUCA-TZAVVTSTSA-N 1 2 234.265 2.683 20 0 BFADLO C[N@H+](CCF)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209758063 969603915 /nfs/dbraw/zinc/60/39/15/969603915.db2.gz FZGPRHRICLJUQX-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO C[N@@H+](CCF)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209758063 969603919 /nfs/dbraw/zinc/60/39/19/969603919.db2.gz FZGPRHRICLJUQX-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO Clc1ccc2n[nH]c(C[NH+]3CC=CC3)c2c1 ZINC001209751552 969606888 /nfs/dbraw/zinc/60/68/88/969606888.db2.gz SMJYQMOWXSYUMQ-UHFFFAOYSA-N 1 2 233.702 2.588 20 0 BFADLO Fc1cccnc1Nc1cccn2cc[nH+]c12 ZINC001209804706 969625492 /nfs/dbraw/zinc/62/54/92/969625492.db2.gz DSZCOCQFXFRNOK-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO Fc1cccnc1Nc1cccc2[nH+]ccn21 ZINC001209803574 969629022 /nfs/dbraw/zinc/62/90/22/969629022.db2.gz CDTJWKLKMAWLGS-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO COc1ccc(C)c(N(C)c2[nH+]cccc2N)c1 ZINC001209838680 969646177 /nfs/dbraw/zinc/64/61/77/969646177.db2.gz XHTJURSXQKUOPS-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO FC1C[NH+](C2CCc3ccccc3CC2)C1 ZINC001254456416 969650187 /nfs/dbraw/zinc/65/01/87/969650187.db2.gz MKXUTGFRFKRWKI-UHFFFAOYSA-N 1 2 219.303 2.588 20 0 BFADLO CCCCC(=O)[C@H](C)Nc1ccn2cc[nH+]c2c1 ZINC001169548131 969741177 /nfs/dbraw/zinc/74/11/77/969741177.db2.gz SVDMGUGNJHQBOX-NSHDSACASA-N 1 2 245.326 2.894 20 0 BFADLO c1cc(Nc2ccc3c[nH+]ccc3c2)ncn1 ZINC001210044912 969773119 /nfs/dbraw/zinc/77/31/19/969773119.db2.gz QZJBHBAEHXHMAQ-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO Cc1c[nH+]c(Nc2cccc(F)c2O)c(N)c1 ZINC001210194973 969828198 /nfs/dbraw/zinc/82/81/98/969828198.db2.gz IWRLCSBOROCKTP-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1[nH+]cc(Nc2cnccc2Cl)cc1N ZINC001210284662 969852620 /nfs/dbraw/zinc/85/26/20/969852620.db2.gz IYZRGPKKWVENSN-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)n(C(C)C)n1 ZINC001210287354 969853556 /nfs/dbraw/zinc/85/35/56/969853556.db2.gz RBDYZEGZFRAHNV-UHFFFAOYSA-N 1 2 245.330 2.802 20 0 BFADLO CC(=O)c1ccsc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287597 969853762 /nfs/dbraw/zinc/85/37/62/969853762.db2.gz XLXLOGLQUNGBDB-UHFFFAOYSA-N 1 2 247.323 2.980 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(C3CC3)nc2)cc1N ZINC001210286969 969855115 /nfs/dbraw/zinc/85/51/15/969855115.db2.gz HMVTZNQAMDELTN-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(F)c(O)c2)cc1N ZINC001210288544 969857084 /nfs/dbraw/zinc/85/70/84/969857084.db2.gz SBKLGADFBFPJOD-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)c(O)c1 ZINC001210287815 969857264 /nfs/dbraw/zinc/85/72/64/969857264.db2.gz ATXCICMJZOGPGV-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(F)c(F)c2)cc1N ZINC001210288932 969857340 /nfs/dbraw/zinc/85/73/40/969857340.db2.gz XGMAPBZQZQJRJN-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO Cc1[nH+]cc(Nc2c(F)cccc2F)cc1N ZINC001210289003 969857364 /nfs/dbraw/zinc/85/73/64/969857364.db2.gz ZMYBNKWKMGIBRO-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO COc1ccc(F)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210290527 969859147 /nfs/dbraw/zinc/85/91/47/969859147.db2.gz NBXHTZOVLADICL-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CCc1ccc(Nc2c[nH+]c(C)c(N)c2)c(O)c1 ZINC001210291268 969860442 /nfs/dbraw/zinc/86/04/42/969860442.db2.gz XRUQRBZNOKOKMO-UHFFFAOYSA-N 1 2 243.310 2.984 20 0 BFADLO COc1cc[nH+]cc1Nc1ccn(C(C)C)n1 ZINC001210335691 969868920 /nfs/dbraw/zinc/86/89/20/969868920.db2.gz HUYAVARATCXXHY-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO Cc1cc(NCCc2cncs2)c[nH+]c1C ZINC001169866876 969878037 /nfs/dbraw/zinc/87/80/37/969878037.db2.gz QYOFDPVYWCPFJQ-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO Cc1cc([NH2+]CCc2cncs2)ccc1N ZINC001169866610 969878157 /nfs/dbraw/zinc/87/81/57/969878157.db2.gz DCEVNLPTWCICDA-UHFFFAOYSA-N 1 2 233.340 2.688 20 0 BFADLO CCOc1cc(Nc2cnoc2C)cc(C)[nH+]1 ZINC001210577892 969949494 /nfs/dbraw/zinc/94/94/94/969949494.db2.gz IQINOEZOBGAFSO-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO Cc1ccc(O)c(Nc2cc(CO)ccc2C)[nH+]1 ZINC001210683376 969996431 /nfs/dbraw/zinc/99/64/31/969996431.db2.gz YZSADPUCBFXAKU-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO O=C(CCNc1cccc[nH+]1)c1ccccc1 ZINC001170011855 969999909 /nfs/dbraw/zinc/99/99/09/969999909.db2.gz JTPWUUKONNDBLB-UHFFFAOYSA-N 1 2 226.279 2.767 20 0 BFADLO c1[nH]c2c([nH+]1)[C@H](c1nnc(C3CCC3)o1)CCC2 ZINC001255182381 970001342 /nfs/dbraw/zinc/00/13/42/970001342.db2.gz KHFHBCVCZLDTNI-SECBINFHSA-N 1 2 244.298 2.528 20 0 BFADLO CC1(C)CCC([N@@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001255307204 970072314 /nfs/dbraw/zinc/07/23/14/970072314.db2.gz WWSUKUVAUXXDFN-NSHDSACASA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC([N@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001255307204 970072324 /nfs/dbraw/zinc/07/23/24/970072324.db2.gz WWSUKUVAUXXDFN-NSHDSACASA-N 1 2 227.323 2.568 20 0 BFADLO Cc1ccc(Nc2ccc(F)c(O)c2)[nH+]c1 ZINC001211014039 970115184 /nfs/dbraw/zinc/11/51/84/970115184.db2.gz SHNNTMUFBWZEBI-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Cc1occc1-c1cc[nH+]c2c1CCN2 ZINC001243063640 970243486 /nfs/dbraw/zinc/24/34/86/970243486.db2.gz FLJRNRCWTUNFCU-UHFFFAOYSA-N 1 2 200.241 2.618 20 0 BFADLO Cc1c(-c2c[nH+]cn2C)ccc2cccnc21 ZINC001243067261 970255924 /nfs/dbraw/zinc/25/59/24/970255924.db2.gz HMIUDXHQZXOZDE-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-c2ncco2)c1 ZINC001243068986 970259114 /nfs/dbraw/zinc/25/91/14/970259114.db2.gz LWYRPCOQKUELAQ-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1c(F)ccc(-c2c[nH+]cn2C)c1C ZINC001243070497 970266614 /nfs/dbraw/zinc/26/66/14/970266614.db2.gz GGOGKSYOZFINOE-UHFFFAOYSA-N 1 2 204.248 2.843 20 0 BFADLO O=C1CCC[N@H+](CCC2CCCCC2)C1 ZINC000300762058 970296918 /nfs/dbraw/zinc/29/69/18/970296918.db2.gz NWYYHYDOLGUDRL-UHFFFAOYSA-N 1 2 209.333 2.622 20 0 BFADLO O=C1CCC[N@@H+](CCC2CCCCC2)C1 ZINC000300762058 970296925 /nfs/dbraw/zinc/29/69/25/970296925.db2.gz NWYYHYDOLGUDRL-UHFFFAOYSA-N 1 2 209.333 2.622 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cccnn1 ZINC001213488814 970326566 /nfs/dbraw/zinc/32/65/66/970326566.db2.gz DWDHINYFZRAQPL-UHFFFAOYSA-N 1 2 226.283 2.801 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccno1 ZINC001213491857 970327536 /nfs/dbraw/zinc/32/75/36/970327536.db2.gz SGQNKTHLCUTOFR-UHFFFAOYSA-N 1 2 215.256 2.999 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cnccn1 ZINC001213488671 970328096 /nfs/dbraw/zinc/32/80/96/970328096.db2.gz BBSZTNOLALJEBF-UHFFFAOYSA-N 1 2 226.283 2.801 20 0 BFADLO Cc1cc(C)c(Nc2nnc(C(C)C)o2)c[nH+]1 ZINC001213503666 970331929 /nfs/dbraw/zinc/33/19/29/970331929.db2.gz RRJWEZOBBLVJMG-UHFFFAOYSA-N 1 2 232.287 2.948 20 0 BFADLO Cc1cc(C)c(Nc2ncc(O)cc2C)c[nH+]1 ZINC001213503517 970333897 /nfs/dbraw/zinc/33/38/97/970333897.db2.gz KHTAIHMJLNZAII-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO Cc1c[nH+]cc(Nc2ncncc2Cl)c1C ZINC001213522505 970339478 /nfs/dbraw/zinc/33/94/78/970339478.db2.gz AVRNPJFHVVAZBI-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc(C)c(Nc2ccccc2CO)c[nH+]1 ZINC001213513588 970340989 /nfs/dbraw/zinc/34/09/89/970340989.db2.gz XPZIMAZMRLGLLV-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(C)c2C)c(N)c1 ZINC001213525389 970344512 /nfs/dbraw/zinc/34/45/12/970344512.db2.gz UELOEESGZALDPU-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1c[nH+]cc(Nc2cnsc2)c1C ZINC001213527357 970349687 /nfs/dbraw/zinc/34/96/87/970349687.db2.gz HSVDIDBMSTZAAV-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]cc(Nc2noc3cnccc32)c1C ZINC001213527535 970350299 /nfs/dbraw/zinc/35/02/99/970350299.db2.gz REJAZFGVCKCKRF-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Nc1cc(Cl)ccc1Nc1[nH+]cccc1N ZINC001213644353 970371835 /nfs/dbraw/zinc/37/18/35/970371835.db2.gz RTKSZXRDDWAUOG-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO Cc1ccc[nH+]c1Nc1cc(F)ccc1N ZINC001214196507 970460040 /nfs/dbraw/zinc/46/00/40/970460040.db2.gz ARZJEECMSIGMEQ-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Nc1ccc(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001214204271 970464989 /nfs/dbraw/zinc/46/49/89/970464989.db2.gz ZOYBUZYXJCGYNS-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC2(F)F)cc1 ZINC001255771747 970473143 /nfs/dbraw/zinc/47/31/43/970473143.db2.gz CIWLJEFKOMPKDT-CMPLNLGQSA-N 1 2 225.282 2.923 20 0 BFADLO Cc1ccc(-c2cc(C)c(O)c(C)c2)[nH+]c1N ZINC001243306503 970478001 /nfs/dbraw/zinc/47/80/01/970478001.db2.gz XQXRLRYPGAMUFG-UHFFFAOYSA-N 1 2 228.295 2.962 20 0 BFADLO Cc1ccc(O)cc1Nc1[nH+]cc(O)cc1C ZINC001214339264 970487807 /nfs/dbraw/zinc/48/78/07/970487807.db2.gz XXAGKGHLTGVQTE-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO Cc1ccc(O)cc1Nc1[nH+]cccc1N(C)C ZINC001214343060 970489995 /nfs/dbraw/zinc/48/99/95/970489995.db2.gz FCBLORNCKGCVBK-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO C[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001255869172 970531786 /nfs/dbraw/zinc/53/17/86/970531786.db2.gz YJDSLUBEOHNFJR-OASPWFOLSA-N 1 2 243.272 2.749 20 0 BFADLO Cn1cc[nH+]c1Nc1ccc(Cl)c(O)c1F ZINC001214791302 970541011 /nfs/dbraw/zinc/54/10/11/970541011.db2.gz PWZUPZHWSGLCOJ-UHFFFAOYSA-N 1 2 241.653 2.662 20 0 BFADLO CN(C)c1ccc([NH2+]CC[C@H]2CCOC2)cc1 ZINC000400602329 970608073 /nfs/dbraw/zinc/60/80/73/970608073.db2.gz TXWVMXBYBQEICV-LBPRGKRZSA-N 1 2 234.343 2.591 20 0 BFADLO C[C@@H]1CCC[C@H](OCc2c[nH+]cn2C)[C@H]1C ZINC001222600593 972599687 /nfs/dbraw/zinc/59/96/87/972599687.db2.gz RIUKGKWSQSPOOB-MDZLAQPJSA-N 1 2 222.332 2.761 20 0 BFADLO Cn1c[nH+]cc1CO[C@H]1CCc2cc(F)ccc21 ZINC001222600446 972602064 /nfs/dbraw/zinc/60/20/64/972602064.db2.gz POKJDLNDSQNYJI-AWEZNQCLSA-N 1 2 246.285 2.763 20 0 BFADLO CCCC[N@H+](Cc1nc[nH]n1)C1CCCCC1 ZINC001327866392 972768022 /nfs/dbraw/zinc/76/80/22/972768022.db2.gz WPUVKOLWGHGKRO-UHFFFAOYSA-N 1 2 236.363 2.740 20 0 BFADLO CCCC[N@@H+](Cc1nc[nH]n1)C1CCCCC1 ZINC001327866392 972768032 /nfs/dbraw/zinc/76/80/32/972768032.db2.gz WPUVKOLWGHGKRO-UHFFFAOYSA-N 1 2 236.363 2.740 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC001144561877 972868643 /nfs/dbraw/zinc/86/86/43/972868643.db2.gz PQEJKUGMRULUGR-OQPBUACISA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC001144561877 972868648 /nfs/dbraw/zinc/86/86/48/972868648.db2.gz PQEJKUGMRULUGR-OQPBUACISA-N 1 2 239.265 2.655 20 0 BFADLO CC1(F)CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144611398 972884983 /nfs/dbraw/zinc/88/49/83/972884983.db2.gz MXIIBWCSVBSSRY-UHFFFAOYSA-N 1 2 247.317 2.658 20 0 BFADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@H]1C ZINC001144749414 972978699 /nfs/dbraw/zinc/97/86/99/972978699.db2.gz LXVKOBXYEMFYEW-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@H]1C ZINC001144749414 972978715 /nfs/dbraw/zinc/97/87/15/972978715.db2.gz LXVKOBXYEMFYEW-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(F)c1C[N@H+](C)C1CC1 ZINC001144744592 972980144 /nfs/dbraw/zinc/98/01/44/972980144.db2.gz AMROFDCWRJHSQT-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(F)c1C[N@@H+](C)C1CC1 ZINC001144744592 972980165 /nfs/dbraw/zinc/98/01/65/972980165.db2.gz AMROFDCWRJHSQT-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO CCOC[C@H](C)OCc1cc(C)[nH+]c(C)c1 ZINC001223422802 973059821 /nfs/dbraw/zinc/05/98/21/973059821.db2.gz ZSYMISGFXYSPPA-LBPRGKRZSA-N 1 2 223.316 2.640 20 0 BFADLO Cc1cc(COC2CC=CC2)cc(C)[nH+]1 ZINC001223422534 973062743 /nfs/dbraw/zinc/06/27/43/973062743.db2.gz XEBYHYDIFSFXGD-UHFFFAOYSA-N 1 2 203.285 2.934 20 0 BFADLO C[C@H](OC1C[NH+](C)C1)c1ccc(Cl)cc1 ZINC001223958198 973356340 /nfs/dbraw/zinc/35/63/40/973356340.db2.gz JJKVEDJZKVOCBZ-VIFPVBQESA-N 1 2 225.719 2.732 20 0 BFADLO COc1ccc[nH+]c1NC1CC2(CC2(F)F)C1 ZINC001329756042 973918370 /nfs/dbraw/zinc/91/83/70/973918370.db2.gz UMMSUAWUJAGWDE-UHFFFAOYSA-N 1 2 240.253 2.690 20 0 BFADLO Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CC1(F)F)C2 ZINC001171394607 974003230 /nfs/dbraw/zinc/00/32/30/974003230.db2.gz ULLCKSCZOUOLEU-JOYOIKCWSA-N 1 2 241.256 2.680 20 0 BFADLO Cc1cccc2c1CC[C@H]([N@@H+]1CCCC(=O)C1)C2 ZINC001171570630 974105115 /nfs/dbraw/zinc/10/51/15/974105115.db2.gz MROYPELCSMNOAS-AWEZNQCLSA-N 1 2 243.350 2.517 20 0 BFADLO Cc1cccc2c1CC[C@H]([N@H+]1CCCC(=O)C1)C2 ZINC001171570630 974105119 /nfs/dbraw/zinc/10/51/19/974105119.db2.gz MROYPELCSMNOAS-AWEZNQCLSA-N 1 2 243.350 2.517 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@@H]1CCC=CO1 ZINC001224964060 974108157 /nfs/dbraw/zinc/10/81/57/974108157.db2.gz SDFFRPRKCGLHOX-LBPRGKRZSA-N 1 2 241.331 2.880 20 0 BFADLO C[C@H]1CN(c2ccc(C(C)(C)C)c[nH+]2)C[C@H](C)O1 ZINC000146466454 974201150 /nfs/dbraw/zinc/20/11/50/974201150.db2.gz BJWNXUZSPADFAU-RYUDHWBXSA-N 1 2 248.370 2.993 20 0 BFADLO C[C@@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848134 974212998 /nfs/dbraw/zinc/21/29/98/974212998.db2.gz ZKHDTUQZHBBGRO-GHMZBOCLSA-N 1 2 249.345 2.761 20 0 BFADLO COCCCCn1c[nH+]c(C(C)(C)C)c1 ZINC001330323675 974230990 /nfs/dbraw/zinc/23/09/90/974230990.db2.gz KLOPFSASVPQHKI-UHFFFAOYSA-N 1 2 210.321 2.607 20 0 BFADLO C[C@@H](COC(C)(C)C)Oc1cc[nH+]cc1 ZINC001225289432 974360060 /nfs/dbraw/zinc/36/00/60/974360060.db2.gz JLMIJFHUFFDMNZ-JTQLQIEISA-N 1 2 209.289 2.664 20 0 BFADLO CC/C=C\CCOC(=O)[C@H](C)Oc1cc[nH+]cc1 ZINC001225290999 974360383 /nfs/dbraw/zinc/36/03/83/974360383.db2.gz NKGUHJOBVUNTAX-RXNFCKPNSA-N 1 2 249.310 2.748 20 0 BFADLO COc1ccc([C@H](C)Oc2cc[nH+]cc2)cn1 ZINC001225291731 974364283 /nfs/dbraw/zinc/36/42/83/974364283.db2.gz XMKDZXMYJUJDOS-JTQLQIEISA-N 1 2 230.267 2.625 20 0 BFADLO CCOC(=O)[C@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001225295987 974370483 /nfs/dbraw/zinc/37/04/83/974370483.db2.gz PKEIBWIBYISUQW-AAEUAGOBSA-N 1 2 249.310 2.582 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1nccs1 ZINC001225295554 974371646 /nfs/dbraw/zinc/37/16/46/974371646.db2.gz LHOPHPAXRVWDEN-MRVPVSSYSA-N 1 2 206.270 2.678 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@@H+](C)CC(F)F ZINC001172362460 974633161 /nfs/dbraw/zinc/63/31/61/974633161.db2.gz SYTCGKNOKWYNIK-UWVGGRQHSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@H+](C)CC(F)F ZINC001172362460 974633159 /nfs/dbraw/zinc/63/31/59/974633159.db2.gz SYTCGKNOKWYNIK-UWVGGRQHSA-N 1 2 223.307 2.777 20 0 BFADLO CC[NH+]1CC(Oc2ccc(Cl)c(F)c2)C1 ZINC001225781535 974681738 /nfs/dbraw/zinc/68/17/38/974681738.db2.gz HTJJQILYQPDDDC-UHFFFAOYSA-N 1 2 229.682 2.562 20 0 BFADLO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC1(F)F)CC2 ZINC001172823006 974944762 /nfs/dbraw/zinc/94/47/62/974944762.db2.gz DYQCGQVFDXCFLB-OLZOCXBDSA-N 1 2 237.293 2.850 20 0 BFADLO Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC1(F)F)CC2 ZINC001172823011 974945765 /nfs/dbraw/zinc/94/57/65/974945765.db2.gz DYQCGQVFDXCFLB-STQMWFEESA-N 1 2 237.293 2.850 20 0 BFADLO CCC1(CC)CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001332403393 975094694 /nfs/dbraw/zinc/09/46/94/975094694.db2.gz ZYSWNVOHMKEZBL-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1nocc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001212721739 975286995 /nfs/dbraw/zinc/28/69/95/975286995.db2.gz KBFBLSYNZJBDPG-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H](C)C1CCOCC1 ZINC001227259016 975334606 /nfs/dbraw/zinc/33/46/06/975334606.db2.gz CGQNIXMUCVZSJH-GFCCVEGCSA-N 1 2 235.327 2.892 20 0 BFADLO CCCOC[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227263790 975340527 /nfs/dbraw/zinc/34/05/27/975340527.db2.gz ICVXZYVQYUQISV-NSHDSACASA-N 1 2 223.316 2.892 20 0 BFADLO C/C=C/c1ccc(OC2C[NH+](CC)C2)c(OC)c1 ZINC001227410932 975387157 /nfs/dbraw/zinc/38/71/57/975387157.db2.gz MZBIGHASQZDYTF-GQCTYLIASA-N 1 2 247.338 2.811 20 0 BFADLO CCCCc1ccc(OC2C[NH+](C)C2)cc1 ZINC001227624230 975584814 /nfs/dbraw/zinc/58/48/14/975584814.db2.gz XESWPLMJAYAEOJ-UHFFFAOYSA-N 1 2 219.328 2.722 20 0 BFADLO C[C@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1cn[nH]c1 ZINC001333325901 975663904 /nfs/dbraw/zinc/66/39/04/975663904.db2.gz DSTHUWGLNWFRAF-VIFPVBQESA-N 1 2 248.330 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1F ZINC001173845848 975736174 /nfs/dbraw/zinc/73/61/74/975736174.db2.gz QJWPPJAOALOGSB-UHFFFAOYSA-N 1 2 218.231 2.973 20 0 BFADLO c1cncc(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001173855292 975775253 /nfs/dbraw/zinc/77/52/53/975775253.db2.gz GVDPJDQYDVFWJW-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO CCN=C1C=CC(N)=C[N@@H+]1c1c(C)cccc1C ZINC001173874556 975835280 /nfs/dbraw/zinc/83/52/80/975835280.db2.gz WDIBFQRHSYLYFS-UHFFFAOYSA-N 1 2 241.338 2.597 20 0 BFADLO CCN=C1C=CC(N)=C[N@H+]1c1c(C)cccc1C ZINC001173874556 975835282 /nfs/dbraw/zinc/83/52/82/975835282.db2.gz WDIBFQRHSYLYFS-UHFFFAOYSA-N 1 2 241.338 2.597 20 0 BFADLO Cc1ccc(Nc2ccc3c(c2)OCCO3)[nH+]c1 ZINC001173876433 975908055 /nfs/dbraw/zinc/90/80/55/975908055.db2.gz MOXPGEXFFZFCOF-UHFFFAOYSA-N 1 2 242.278 2.905 20 0 BFADLO Cc1cc2[nH+]s[nH]c-2cc1=Nc1ccncc1 ZINC001173884706 975969825 /nfs/dbraw/zinc/96/98/25/975969825.db2.gz XFJHMRIJYMSABW-UHFFFAOYSA-N 1 2 242.307 2.560 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(OC)nc1 ZINC001173959020 976005288 /nfs/dbraw/zinc/00/52/88/976005288.db2.gz XYPCERJODNZNID-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO CN(C)c1ccc(NCCCC(F)(F)F)[nH+]c1 ZINC001333699851 976007222 /nfs/dbraw/zinc/00/72/22/976007222.db2.gz VWOLVZGZTWQLAF-UHFFFAOYSA-N 1 2 247.264 2.902 20 0 BFADLO CCc1cc(N2CCC[C@@H]3C[C@@H]32)nc(CC)[nH+]1 ZINC001333762125 976064640 /nfs/dbraw/zinc/06/46/40/976064640.db2.gz LMLUMNOKWARIHR-PWSUYJOCSA-N 1 2 231.343 2.590 20 0 BFADLO Cc1[nH]c2ccc(OC[C@@H]3CCCCO3)cc2[nH+]1 ZINC001228327229 976125169 /nfs/dbraw/zinc/12/51/69/976125169.db2.gz PLWXSUAOFWYMKQ-LBPRGKRZSA-N 1 2 246.310 2.819 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3CCO[C@H](C)C3)cc2[nH+]1 ZINC001228330618 976127030 /nfs/dbraw/zinc/12/70/30/976127030.db2.gz ZUVZSGBILYRVBU-BXKDBHETSA-N 1 2 246.310 2.818 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3CCOC[C@@H]3C)cc2[nH+]1 ZINC001228329594 976128537 /nfs/dbraw/zinc/12/85/37/976128537.db2.gz ONMOOIYBDXZDKA-XPTSAGLGSA-N 1 2 246.310 2.675 20 0 BFADLO Cc1c[nH+]c(Nc2ccccc2C(N)=O)c(C)c1 ZINC001173980353 976203636 /nfs/dbraw/zinc/20/36/36/976203636.db2.gz XQBQRVIEKXSYIS-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@H]2O)[nH+]c2ccccc12 ZINC000323525154 976247080 /nfs/dbraw/zinc/24/70/80/976247080.db2.gz VHDRZDNPHRBZTA-ZIAGYGMSSA-N 1 2 242.322 2.869 20 0 BFADLO COCc1cccc(N(C)c2[nH+]cccc2N)c1 ZINC001174092215 976282483 /nfs/dbraw/zinc/28/24/83/976282483.db2.gz RPXOWCWCXGTEDE-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO COc1cncc(Nc2ccc(C)[nH+]c2C)c1 ZINC001174085687 976350152 /nfs/dbraw/zinc/35/01/52/976350152.db2.gz AOHNSYJGZCYSDN-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cncc(Nc2[nH+]cc(C)cc2C)c1 ZINC001174089059 976354443 /nfs/dbraw/zinc/35/44/43/976354443.db2.gz NDWZCWLCQKRDDY-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1nc(Cl)ccc1OC1C[NH+](C(C)C)C1 ZINC001228702785 976446798 /nfs/dbraw/zinc/44/67/98/976446798.db2.gz WISDRQLDQWVKGN-UHFFFAOYSA-N 1 2 240.734 2.515 20 0 BFADLO Cc1ccc(Nc2cncc(F)c2)c(C)[nH+]1 ZINC001174288908 976450331 /nfs/dbraw/zinc/45/03/31/976450331.db2.gz NVUFXTRAJKRZHY-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc2cc(OC3C[NH+](C)C3)ccc2c1 ZINC001228739080 976473087 /nfs/dbraw/zinc/47/30/87/976473087.db2.gz VCPJJNXMQJLRAR-UHFFFAOYSA-N 1 2 227.307 2.841 20 0 BFADLO COc1cc([C@H](C)Nc2ccc(C)[nH+]c2C)on1 ZINC001334391753 976488078 /nfs/dbraw/zinc/48/80/78/976488078.db2.gz YMMIIWRMRKCUFR-JTQLQIEISA-N 1 2 247.298 2.868 20 0 BFADLO c1cn2c(cccc2Nc2ccc3n[nH]cc3c2)[nH+]1 ZINC001174272099 976495620 /nfs/dbraw/zinc/49/56/20/976495620.db2.gz IGUOUANXNPYZIG-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cnn(C)c2)cc1 ZINC001174332265 976544909 /nfs/dbraw/zinc/54/49/09/976544909.db2.gz NGNPOEORUVTCAB-UHFFFAOYSA-N 1 2 230.315 2.620 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cnn(C)c2)cc1 ZINC001174332265 976544915 /nfs/dbraw/zinc/54/49/15/976544915.db2.gz NGNPOEORUVTCAB-UHFFFAOYSA-N 1 2 230.315 2.620 20 0 BFADLO c1cc2cc(Nc3cccn4cc[nH+]c34)cnc2[nH]1 ZINC001174396052 976590338 /nfs/dbraw/zinc/59/03/38/976590338.db2.gz SQEAVPRZDPVQFO-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO FC(F)(F)CCC[N@@H+]1CCCc2[nH]ncc2C1 ZINC001335020801 976826837 /nfs/dbraw/zinc/82/68/37/976826837.db2.gz ZJJMTNAKJWXUCW-UHFFFAOYSA-N 1 2 247.264 2.500 20 0 BFADLO FC(F)(F)CCC[N@H+]1CCCc2[nH]ncc2C1 ZINC001335020801 976826840 /nfs/dbraw/zinc/82/68/40/976826840.db2.gz ZJJMTNAKJWXUCW-UHFFFAOYSA-N 1 2 247.264 2.500 20 0 BFADLO CC(C)=Cn1c(C)[nH+]c2ccc(N)cc21 ZINC001174555758 976862022 /nfs/dbraw/zinc/86/20/22/976862022.db2.gz LQNJAZFSNIVPDP-UHFFFAOYSA-N 1 2 201.273 2.808 20 0 BFADLO Cc1cc(N=c2s[nH]c3cccnc32)cc[nH+]1 ZINC001174654650 976941775 /nfs/dbraw/zinc/94/17/75/976941775.db2.gz IYDOTROFDMUJFX-UHFFFAOYSA-N 1 2 242.307 2.560 20 0 BFADLO Cc1cc(Nc2ccc(S)cc2)cc[nH+]1 ZINC001174657099 976952081 /nfs/dbraw/zinc/95/20/81/976952081.db2.gz NMPDSTJFUFBACE-UHFFFAOYSA-N 1 2 216.309 2.844 20 0 BFADLO CC[NH+]1CC(Oc2c(O)cccc2C(C)C)C1 ZINC001229708491 976959076 /nfs/dbraw/zinc/95/90/76/976959076.db2.gz XBYZTFCEBFWVII-UHFFFAOYSA-N 1 2 235.327 2.599 20 0 BFADLO Oc1ccc(Nc2cccn3cc[nH+]c23)cc1F ZINC001174734252 976978893 /nfs/dbraw/zinc/97/88/93/976978893.db2.gz VCKJLPAXHLAODA-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO COc1cc(Nc2cncc(C)c2)cc(C)[nH+]1 ZINC001174753382 977050626 /nfs/dbraw/zinc/05/06/26/977050626.db2.gz NLABAOCIQFVNLR-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cccc(Nc2cccc(O)c2)[nH+]1 ZINC001174887982 977119865 /nfs/dbraw/zinc/11/98/65/977119865.db2.gz QKGJQRXUFRMUTL-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO COc1cc(Nc2cccc(O)c2)cc(C)[nH+]1 ZINC001174888482 977122299 /nfs/dbraw/zinc/12/22/99/977122299.db2.gz RRXOFWLXKJNFGX-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1ccc(Nc2cccc3[nH+]ccn32)cc1N ZINC001174929524 977146997 /nfs/dbraw/zinc/14/69/97/977146997.db2.gz GFDUWVMQKZBEOG-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO CN(C)c1ccc(Nc2ccccc2O)c[nH+]1 ZINC001175345120 977364959 /nfs/dbraw/zinc/36/49/59/977364959.db2.gz LHOPWFPNLNGVTI-UHFFFAOYSA-N 1 2 229.283 2.597 20 0 BFADLO CC(C)n1cnc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175342232 977366480 /nfs/dbraw/zinc/36/64/80/977366480.db2.gz QKEWMEKVHWNHFX-UHFFFAOYSA-N 1 2 245.330 2.669 20 0 BFADLO C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C1CC1 ZINC001230914125 977380020 /nfs/dbraw/zinc/38/00/20/977380020.db2.gz GCOWFXIAHDBPAO-VIFPVBQESA-N 1 2 231.295 2.545 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)nc2)c(C)[nH+]1 ZINC001175337691 977382199 /nfs/dbraw/zinc/38/21/99/977382199.db2.gz IVRBNTLWZKCXAV-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CN(C)c1ccc(Nc2cnccc2Cl)c[nH+]1 ZINC001175338716 977385581 /nfs/dbraw/zinc/38/55/81/977385581.db2.gz LFCMQYRIWOTDRM-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO Cc1ccnc(F)c1Nc1ccc(N(C)C)[nH+]c1 ZINC001175340123 977386904 /nfs/dbraw/zinc/38/69/04/977386904.db2.gz AOWDFBDSKQNXJR-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)c(F)n1 ZINC001175338833 977388164 /nfs/dbraw/zinc/38/81/64/977388164.db2.gz MVCBOXVIQUBUJE-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO c1cn2ccc(Nc3cccc4c[nH]nc43)cc2[nH+]1 ZINC001175636801 977606570 /nfs/dbraw/zinc/60/65/70/977606570.db2.gz JXKHHYKMLPEQDQ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1n[nH]c2ccc(Nc3[nH+]cccc3N)cc12 ZINC001175695670 977630108 /nfs/dbraw/zinc/63/01/08/977630108.db2.gz LQOLVFAHZXQTCR-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001231603838 977645810 /nfs/dbraw/zinc/64/58/10/977645810.db2.gz PLCNSWDFBYJBHZ-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1CCC[C@H](F)C1 ZINC001231603838 977645817 /nfs/dbraw/zinc/64/58/17/977645817.db2.gz PLCNSWDFBYJBHZ-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncccn2)c(C)c1 ZINC001175708815 977686720 /nfs/dbraw/zinc/68/67/20/977686720.db2.gz VPSDRXVSDNRDOD-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncccn2)c(C)c1 ZINC001175708815 977686730 /nfs/dbraw/zinc/68/67/30/977686730.db2.gz VPSDRXVSDNRDOD-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CCCn1nc(C)cc1Nc1c[nH+]ccc1OC ZINC001175798222 977695070 /nfs/dbraw/zinc/69/50/70/977695070.db2.gz HEUAVUSYQLNOKU-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO CC[C@H]1CN(c2cc(F)cc(C)[nH+]2)C[C@H](C)O1 ZINC001336515986 977741216 /nfs/dbraw/zinc/74/12/16/977741216.db2.gz HPVWDTYZCAVBPL-JQWIXIFHSA-N 1 2 238.306 2.533 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)C[C@H]2C)[nH+]1 ZINC001336532191 977754683 /nfs/dbraw/zinc/75/46/83/977754683.db2.gz OQCGNTURVFVMOG-PSASIEDQSA-N 1 2 208.280 2.764 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(F)cn1 ZINC001175847678 977768005 /nfs/dbraw/zinc/76/80/05/977768005.db2.gz SKHDXVFTHUHOSF-UHFFFAOYSA-N 1 2 233.246 2.758 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC[C@H](F)C2)cnc1F ZINC001231925720 977799302 /nfs/dbraw/zinc/79/93/02/977799302.db2.gz WNXNXYWWVBHTHX-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCCC[C@H](F)C2)cnc1F ZINC001231925720 977799317 /nfs/dbraw/zinc/79/93/17/977799317.db2.gz WNXNXYWWVBHTHX-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1c[nH+]c(Nc2cccc3c2OCC3)c(N)c1 ZINC001176076911 977872326 /nfs/dbraw/zinc/87/23/26/977872326.db2.gz NBLCCINIULEWTP-UHFFFAOYSA-N 1 2 241.294 2.651 20 0 BFADLO Nc1cc(Cl)cc2ccn(-c3[nH]cc[nH+]3)c21 ZINC001176090521 977894841 /nfs/dbraw/zinc/89/48/41/977894841.db2.gz JBYCTFARSHQOTF-UHFFFAOYSA-N 1 2 232.674 2.589 20 0 BFADLO c1cn(-c2cccc(NC3=CCOCC3)c2)c[nH+]1 ZINC001176142532 977928572 /nfs/dbraw/zinc/92/85/72/977928572.db2.gz HLMRRUYHLYQJBV-UHFFFAOYSA-N 1 2 241.294 2.588 20 0 BFADLO Cc1scnc1C[NH+]1CCC(F)(F)CC1 ZINC001232204807 977931906 /nfs/dbraw/zinc/93/19/06/977931906.db2.gz ZGDJTIFOOICAIS-UHFFFAOYSA-N 1 2 232.299 2.683 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)c(C)c1 ZINC001176120626 977949485 /nfs/dbraw/zinc/94/94/85/977949485.db2.gz HEZNYISDGSNILB-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CC[N@H+](Cc1cnsc1)Cc1ccncc1 ZINC001232225010 977949527 /nfs/dbraw/zinc/94/95/27/977949527.db2.gz UMNLERKUNDJYQY-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cnsc1)Cc1ccncc1 ZINC001232225010 977949533 /nfs/dbraw/zinc/94/95/33/977949533.db2.gz UMNLERKUNDJYQY-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)cc(C)c1O ZINC001176122560 977955577 /nfs/dbraw/zinc/95/55/77/977955577.db2.gz ARDKIPQEHCYUDM-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2cnoc2c1 ZINC001176124366 977956800 /nfs/dbraw/zinc/95/68/00/977956800.db2.gz LFNJPEZCZFNYPC-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO COc1cc[nH+]cc1Nc1cn(C(C)C)cn1 ZINC001176121928 977957943 /nfs/dbraw/zinc/95/79/43/977957943.db2.gz SJBVUEKFVSNJNQ-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(O)ccc1F ZINC001176122627 977958118 /nfs/dbraw/zinc/95/81/18/977958118.db2.gz FFQZOMJCPQRMKV-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cc(O)c1 ZINC001176124523 977958730 /nfs/dbraw/zinc/95/87/30/977958730.db2.gz QEVRNXWWIYBMTO-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(N)cc1C ZINC001176122766 977959219 /nfs/dbraw/zinc/95/92/19/977959219.db2.gz GZJYVEJYQNJURX-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1ccc(=O)[nH]c1 ZINC001176126790 977966518 /nfs/dbraw/zinc/96/65/18/977966518.db2.gz PJKQLDOMNWVKHZ-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1noc(C)c1Nc1cccn2cc[nH+]c12 ZINC001176175648 977973166 /nfs/dbraw/zinc/97/31/66/977973166.db2.gz FJIJVVZTYAVHPL-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)C1=CCOCC1 ZINC001336878032 978019154 /nfs/dbraw/zinc/01/91/54/978019154.db2.gz ODINKLUEXXCNDJ-UHFFFAOYSA-N 1 2 232.327 2.866 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccccc2C)[nH]1 ZINC001232462221 978103248 /nfs/dbraw/zinc/10/32/48/978103248.db2.gz LMGSZRLBXJKBBR-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccccc2C)[nH]1 ZINC001232462221 978103253 /nfs/dbraw/zinc/10/32/53/978103253.db2.gz LMGSZRLBXJKBBR-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CCN(Cc1c[nH+]c(C)[nH]1)Cc1ccccc1F ZINC001232465097 978114414 /nfs/dbraw/zinc/11/44/14/978114414.db2.gz TVXLTHYAFKNCST-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CCN(Cc1c[nH]c(C)[nH+]1)Cc1ccccc1F ZINC001232465097 978114429 /nfs/dbraw/zinc/11/44/29/978114429.db2.gz TVXLTHYAFKNCST-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CCOCCN(CC)c1ccc(CC)c[nH+]1 ZINC001337033984 978136836 /nfs/dbraw/zinc/13/68/36/978136836.db2.gz BDWMNUUATQWJQW-UHFFFAOYSA-N 1 2 222.332 2.507 20 0 BFADLO Nc1ccc(F)cc1C[N@@H+]1CCc2occc2C1 ZINC001232510856 978157694 /nfs/dbraw/zinc/15/76/94/978157694.db2.gz IMQVLCMSYJYTIK-UHFFFAOYSA-N 1 2 246.285 2.559 20 0 BFADLO Nc1ccc(F)cc1C[N@H+]1CCc2occc2C1 ZINC001232510856 978157697 /nfs/dbraw/zinc/15/76/97/978157697.db2.gz IMQVLCMSYJYTIK-UHFFFAOYSA-N 1 2 246.285 2.559 20 0 BFADLO Cc1cnc(Nc2ccc[nH+]c2N2CCCC2)o1 ZINC001176743789 978169066 /nfs/dbraw/zinc/16/90/66/978169066.db2.gz MOMOGLAGTPSZNN-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO Cc1nocc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176749872 978171171 /nfs/dbraw/zinc/17/11/71/978171171.db2.gz MKVWQKMIWZFEQQ-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO c1csc(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176742649 978171412 /nfs/dbraw/zinc/17/14/12/978171412.db2.gz BFFLPYWVJPDPJV-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO c1cc2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)cc2s1 ZINC001232613653 978194025 /nfs/dbraw/zinc/19/40/25/978194025.db2.gz ABQGBBRNKRBTNL-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO c1cc2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)cc2s1 ZINC001232613653 978194029 /nfs/dbraw/zinc/19/40/29/978194029.db2.gz ABQGBBRNKRBTNL-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO COC(=O)C[N@H+](C)Cc1ccc2ccsc2c1 ZINC001232616693 978196038 /nfs/dbraw/zinc/19/60/38/978196038.db2.gz TXADYKLTDACGDS-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1ccc2ccsc2c1 ZINC001232616693 978196048 /nfs/dbraw/zinc/19/60/48/978196048.db2.gz TXADYKLTDACGDS-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccc2ncsc2c1 ZINC001232737175 978250399 /nfs/dbraw/zinc/25/03/99/978250399.db2.gz UMFTYQBOKCQPPW-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccc2ncsc2c1 ZINC001232737175 978250404 /nfs/dbraw/zinc/25/04/04/978250404.db2.gz UMFTYQBOKCQPPW-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO CC(C)[C@H](O)CC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001176896728 978252738 /nfs/dbraw/zinc/25/27/38/978252738.db2.gz HYQMAQVMBLMIIY-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@H](O)CC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001176896728 978252750 /nfs/dbraw/zinc/25/27/50/978252750.db2.gz HYQMAQVMBLMIIY-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO C[C@H]1CCC(F)(F)CN1c1cccc[nH+]1 ZINC001337326255 978290906 /nfs/dbraw/zinc/29/09/06/978290906.db2.gz WKZUNQYORWGPAR-VIFPVBQESA-N 1 2 212.243 2.706 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932129 978337923 /nfs/dbraw/zinc/33/79/23/978337923.db2.gz CJBLPZSHZXRWKI-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932129 978337929 /nfs/dbraw/zinc/33/79/29/978337929.db2.gz CJBLPZSHZXRWKI-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO Oc1cc(C[NH+]2C3CCC2CC3)cc(F)c1F ZINC001232973368 978372806 /nfs/dbraw/zinc/37/28/06/978372806.db2.gz VFPSAJXDWQQZCD-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO Oc1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc(F)c1F ZINC001232973491 978377568 /nfs/dbraw/zinc/37/75/68/978377568.db2.gz BQGWIWCTQJEAMK-GXSJLCMTSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(C[N@H+]2CCC[C@H]3C[C@H]32)cc(F)c1F ZINC001232973491 978377572 /nfs/dbraw/zinc/37/75/72/978377572.db2.gz BQGWIWCTQJEAMK-GXSJLCMTSA-N 1 2 239.265 2.655 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC001232987049 978389023 /nfs/dbraw/zinc/38/90/23/978389023.db2.gz ZQRZIPVLBONTFT-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ncc(F)cc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001232987049 978389036 /nfs/dbraw/zinc/38/90/36/978389036.db2.gz ZQRZIPVLBONTFT-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cccc(O)c2F)C1 ZINC001233050597 978444295 /nfs/dbraw/zinc/44/42/95/978444295.db2.gz QTFQKQSDCNNYLJ-ONGXEEELSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc(O)c2F)C1 ZINC001233050597 978444301 /nfs/dbraw/zinc/44/43/01/978444301.db2.gz QTFQKQSDCNNYLJ-ONGXEEELSA-N 1 2 241.281 2.711 20 0 BFADLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(C)c(C)c1 ZINC001233160586 978476800 /nfs/dbraw/zinc/47/68/00/978476800.db2.gz BARFHTIIYMYZAP-HNNXBMFYSA-N 1 2 246.354 2.642 20 0 BFADLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(C)c(C)c1 ZINC001233160586 978476802 /nfs/dbraw/zinc/47/68/02/978476802.db2.gz BARFHTIIYMYZAP-HNNXBMFYSA-N 1 2 246.354 2.642 20 0 BFADLO CCc1ccc(N(CC)C[C@@H]2CCCO2)[nH+]c1 ZINC001337745638 978481861 /nfs/dbraw/zinc/48/18/61/978481861.db2.gz GSMBPHHZAFPECZ-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO CCc1ccc(N(CC)C[C@H]2CCCO2)[nH+]c1 ZINC001337745637 978483364 /nfs/dbraw/zinc/48/33/64/978483364.db2.gz GSMBPHHZAFPECZ-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO CC[N@H+](Cc1cc(C)ns1)Cc1cccnc1 ZINC001233312308 978542611 /nfs/dbraw/zinc/54/26/11/978542611.db2.gz KXDZZRRZCXEIFD-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cc(C)ns1)Cc1cccnc1 ZINC001233312308 978542618 /nfs/dbraw/zinc/54/26/18/978542618.db2.gz KXDZZRRZCXEIFD-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1cnsc1C[N@@H+](C)Cc1cccnc1C ZINC001233322438 978561230 /nfs/dbraw/zinc/56/12/30/978561230.db2.gz DUWBPYIUCGWMOY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnsc1C[N@H+](C)Cc1cccnc1C ZINC001233322438 978561233 /nfs/dbraw/zinc/56/12/33/978561233.db2.gz DUWBPYIUCGWMOY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233356520 978573149 /nfs/dbraw/zinc/57/31/49/978573149.db2.gz ONCZQRHAZYWUHA-VIFPVBQESA-N 1 2 235.718 2.582 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233356520 978573159 /nfs/dbraw/zinc/57/31/59/978573159.db2.gz ONCZQRHAZYWUHA-VIFPVBQESA-N 1 2 235.718 2.582 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)CC2CCC2)c(C)[nH+]1 ZINC001339101463 978792008 /nfs/dbraw/zinc/79/20/08/978792008.db2.gz RTRFUAXOESQVEK-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO C[NH+]1CC(Oc2ccc(Cl)c3ncccc23)C1 ZINC001234341284 978823804 /nfs/dbraw/zinc/82/38/04/978823804.db2.gz KGNFBBRAMUBJLI-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)S[C@@H](C)C2)[nH+]1 ZINC001339595677 978876614 /nfs/dbraw/zinc/87/66/14/978876614.db2.gz IXPJNENPEWFGTA-UWVGGRQHSA-N 1 2 240.347 2.859 20 0 BFADLO CCc1ccc(N2CC[C@@H]3OCCC[C@H]3C2)[nH+]c1 ZINC001339628992 978881884 /nfs/dbraw/zinc/88/18/84/978881884.db2.gz NIMGFTAJKBVKDO-KBPBESRZSA-N 1 2 246.354 2.649 20 0 BFADLO Cc1ccc(C)c(Nc2ccc[nH]c2=O)[nH+]1 ZINC001206431089 978933942 /nfs/dbraw/zinc/93/39/42/978933942.db2.gz PAXLFSBDDLNVTE-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc(F)c(C[N@H+]2CC[C@H]2C)c(F)c1 ZINC001235189728 978992259 /nfs/dbraw/zinc/99/22/59/978992259.db2.gz LWDLQSBFHVIIPN-SECBINFHSA-N 1 2 211.255 2.867 20 0 BFADLO Cc1cc(F)c(C[N@@H+]2CC[C@H]2C)c(F)c1 ZINC001235189728 978992268 /nfs/dbraw/zinc/99/22/68/978992268.db2.gz LWDLQSBFHVIIPN-SECBINFHSA-N 1 2 211.255 2.867 20 0 BFADLO CCC1CC[NH+](Cc2ncc(Cl)cn2)CC1 ZINC001235418451 979042613 /nfs/dbraw/zinc/04/26/13/979042613.db2.gz RTAIHKWLCPDUSM-UHFFFAOYSA-N 1 2 239.750 2.752 20 0 BFADLO Fc1cncc(C[N@@H+]2CCC3(CC3)C2)c1Cl ZINC001235489184 979052206 /nfs/dbraw/zinc/05/22/06/979052206.db2.gz QWCCUGXFPHJCJJ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cncc(C[N@H+]2CCC3(CC3)C2)c1Cl ZINC001235489184 979052210 /nfs/dbraw/zinc/05/22/10/979052210.db2.gz QWCCUGXFPHJCJJ-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cncc(C[NH+]2CCCCC2)c1Cl ZINC001235493047 979057616 /nfs/dbraw/zinc/05/76/16/979057616.db2.gz QQBUZIJHDFBUDN-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)OC ZINC001181454720 979107025 /nfs/dbraw/zinc/10/70/25/979107025.db2.gz FTBQCNGCINXAGV-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1C=CCCC1 ZINC001340811071 979115781 /nfs/dbraw/zinc/11/57/81/979115781.db2.gz VVTPFAQFKSSTLJ-CYBMUJFWSA-N 1 2 244.338 2.805 20 0 BFADLO Fc1ccc2nc(C[N@@H+]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC001235701710 979128097 /nfs/dbraw/zinc/12/80/97/979128097.db2.gz RGDFDZQPCGGJBR-TVQRCGJNSA-N 1 2 245.301 2.686 20 0 BFADLO Fc1ccc2nc(C[N@H+]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC001235701710 979128108 /nfs/dbraw/zinc/12/81/08/979128108.db2.gz RGDFDZQPCGGJBR-TVQRCGJNSA-N 1 2 245.301 2.686 20 0 BFADLO Cc1cnc(Nc2ccc(C)[nH+]c2C)c(C)n1 ZINC001203368108 979329018 /nfs/dbraw/zinc/32/90/18/979329018.db2.gz UVLCTARXGRHPMB-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CCOc1cc(Nc2ccc(C)[nH+]c2C)no1 ZINC001203368958 979373707 /nfs/dbraw/zinc/37/37/07/979373707.db2.gz IFLCPYGNPLFIJV-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1cncc(Cl)c1Cl ZINC001182085530 979445414 /nfs/dbraw/zinc/44/54/14/979445414.db2.gz GRZNIGNHLDNOPW-LURJTMIESA-N 1 2 237.105 2.836 20 0 BFADLO Fc1ccc(C[NH+]2CCOCC2)c(C2CC2)c1 ZINC001250034959 979449562 /nfs/dbraw/zinc/44/95/62/979449562.db2.gz PDTUOYVFSCONFK-UHFFFAOYSA-N 1 2 235.302 2.535 20 0 BFADLO COc1ncc(Nc2ccc(C)[nH+]c2C)c(C)n1 ZINC001203369863 979466886 /nfs/dbraw/zinc/46/68/86/979466886.db2.gz DGBWZRIDFCFRLG-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Nc1ccc(-c2ccc(-c3ccon3)cc2)c[nH+]1 ZINC001236313326 979520622 /nfs/dbraw/zinc/52/06/22/979520622.db2.gz NYJXBDNJLMZXQY-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)NCCC3)c[nH+]1 ZINC001236313570 979522285 /nfs/dbraw/zinc/52/22/85/979522285.db2.gz QKWXOXVJJQWKNM-UHFFFAOYSA-N 1 2 225.295 2.689 20 0 BFADLO COCc1cc(-c2ccc(N)[nH+]c2)ccc1F ZINC001236317247 979529848 /nfs/dbraw/zinc/52/98/48/979529848.db2.gz RJNJSRNQDHTSJD-UHFFFAOYSA-N 1 2 232.258 2.616 20 0 BFADLO COc1cc(-c2ccc(N)[nH+]c2)cc(C)c1F ZINC001236317629 979532556 /nfs/dbraw/zinc/53/25/56/979532556.db2.gz OKILVZQRCLHYNU-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO COc1cc[nH+]cc1C1=CCSCC1 ZINC001236367120 979564709 /nfs/dbraw/zinc/56/47/09/979564709.db2.gz MVMJETSIUUUIQD-UHFFFAOYSA-N 1 2 207.298 2.611 20 0 BFADLO COc1cncc(-c2cccc3[nH+]ccn32)c1C ZINC001236382797 979571690 /nfs/dbraw/zinc/57/16/90/979571690.db2.gz ONYARUGCHCVPCL-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1ccc(-c2ccc[nH+]c2N)c2c[nH]nc21 ZINC001236493349 979611415 /nfs/dbraw/zinc/61/14/15/979611415.db2.gz SAFJXTJHEHARJT-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncc(OC(C)C)c1 ZINC001236520227 979616503 /nfs/dbraw/zinc/61/65/03/979616503.db2.gz RUDQLCJCWQFHRJ-KGUOMNFLSA-N 1 2 218.300 2.745 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2cccnc2C)o1 ZINC001236597138 979673988 /nfs/dbraw/zinc/67/39/88/979673988.db2.gz NMTLLNPHJVINRB-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2cccnc2C)o1 ZINC001236597138 979673992 /nfs/dbraw/zinc/67/39/92/979673992.db2.gz NMTLLNPHJVINRB-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Oc1cc(C[NH+]2CCC(F)(F)CC2)ccc1F ZINC001236703367 979695702 /nfs/dbraw/zinc/69/57/02/979695702.db2.gz NODQIOMSVSSQEI-UHFFFAOYSA-N 1 2 245.244 2.762 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236702566 979696500 /nfs/dbraw/zinc/69/65/00/979696500.db2.gz KCLMKBNMCIGGPP-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236702566 979696504 /nfs/dbraw/zinc/69/65/04/979696504.db2.gz KCLMKBNMCIGGPP-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO Cc1cc(NCc2cccn2C)nc(C2CC2)[nH+]1 ZINC000266457968 979699413 /nfs/dbraw/zinc/69/94/13/979699413.db2.gz LJRVTOVIUQHBHX-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1Cl ZINC001236852436 979759196 /nfs/dbraw/zinc/75/91/96/979759196.db2.gz WLJTYCDEXVNYFD-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(C[N@@H+]2CCOC[C@H]2C)c1Cl ZINC001236852436 979759200 /nfs/dbraw/zinc/75/92/00/979759200.db2.gz WLJTYCDEXVNYFD-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(N(C)C2CC(O)C2)[nH+]c2ccccc12 ZINC001342444453 979803921 /nfs/dbraw/zinc/80/39/21/979803921.db2.gz BLRNVORZLMALAV-UHFFFAOYSA-N 1 2 242.322 2.503 20 0 BFADLO Nc1cccc(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC001237221191 979850070 /nfs/dbraw/zinc/85/00/70/979850070.db2.gz GJWCCJOANCJWDH-UHFFFAOYSA-N 1 2 242.297 2.924 20 0 BFADLO Nc1cccc(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC001237221191 979850073 /nfs/dbraw/zinc/85/00/73/979850073.db2.gz GJWCCJOANCJWDH-UHFFFAOYSA-N 1 2 242.297 2.924 20 0 BFADLO Cc1cc(F)cc(C)c1C[NH+]1CCC(=O)CC1 ZINC001237316604 979864487 /nfs/dbraw/zinc/86/44/87/979864487.db2.gz FTWJIDZVPQIYNK-UHFFFAOYSA-N 1 2 235.302 2.607 20 0 BFADLO CC[N@H+](CCCC(F)(F)F)CC(F)F ZINC001342780522 979892382 /nfs/dbraw/zinc/89/23/82/979892382.db2.gz XSROJYRKVCYJGF-UHFFFAOYSA-N 1 2 219.197 2.916 20 0 BFADLO CC[N@@H+](CCCC(F)(F)F)CC(F)F ZINC001342780522 979892384 /nfs/dbraw/zinc/89/23/84/979892384.db2.gz XSROJYRKVCYJGF-UHFFFAOYSA-N 1 2 219.197 2.916 20 0 BFADLO CCOCCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001342961154 979959611 /nfs/dbraw/zinc/95/96/11/979959611.db2.gz QBKAEKDRFJMMGA-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC001237646871 980001207 /nfs/dbraw/zinc/00/12/07/980001207.db2.gz RYRVRCMRDPLKOO-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC001237646871 980001213 /nfs/dbraw/zinc/00/12/13/980001213.db2.gz RYRVRCMRDPLKOO-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO CCc1[nH]ncc1C[N@H+](C)Cc1ccc(C)cc1 ZINC001237653354 980013678 /nfs/dbraw/zinc/01/36/78/980013678.db2.gz FNVQQYDMHIDHTL-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1[nH]ncc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC001237653354 980013683 /nfs/dbraw/zinc/01/36/83/980013683.db2.gz FNVQQYDMHIDHTL-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CC[N@H+](Cc1occc1OC)Cc1ccccn1 ZINC001237873609 980108278 /nfs/dbraw/zinc/10/82/78/980108278.db2.gz GEOLHMOLMXMHMZ-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1occc1OC)Cc1ccccn1 ZINC001237873609 980108281 /nfs/dbraw/zinc/10/82/81/980108281.db2.gz GEOLHMOLMXMHMZ-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCC[N@H+](C)Cc1scnc1Br ZINC001238035601 980129326 /nfs/dbraw/zinc/12/93/26/980129326.db2.gz JEYSAYUZKJMUAM-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CCC[N@@H+](C)Cc1scnc1Br ZINC001238035601 980129336 /nfs/dbraw/zinc/12/93/36/980129336.db2.gz JEYSAYUZKJMUAM-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CC1(CC(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC001185095311 980168757 /nfs/dbraw/zinc/16/87/57/980168757.db2.gz SHGBFCAXJZWILX-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(C3CC3)c2)[C@H](C)CO1 ZINC001238195186 980222873 /nfs/dbraw/zinc/22/28/73/980222873.db2.gz VTOWZQZENMFUDS-VXGBXAGGSA-N 1 2 246.354 2.568 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(C3CC3)c2)[C@H](C)CO1 ZINC001238195186 980222879 /nfs/dbraw/zinc/22/28/79/980222879.db2.gz VTOWZQZENMFUDS-VXGBXAGGSA-N 1 2 246.354 2.568 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1C[C@H]1COC(C)(C)O1 ZINC001250185566 980224200 /nfs/dbraw/zinc/22/42/00/980224200.db2.gz LTAWXERMLDGBDC-AWEZNQCLSA-N 1 2 247.338 2.961 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(C)C2)ncc1Cl ZINC001238428508 980255148 /nfs/dbraw/zinc/25/51/48/980255148.db2.gz YSHCLXCJRYTXRM-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001238498935 980276782 /nfs/dbraw/zinc/27/67/82/980276782.db2.gz NVLMKDHJAWUBNQ-LLVKDONJSA-N 1 2 249.329 2.924 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001238498935 980276785 /nfs/dbraw/zinc/27/67/85/980276785.db2.gz NVLMKDHJAWUBNQ-LLVKDONJSA-N 1 2 249.329 2.924 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2ncccc2C)o1 ZINC001344074375 980339883 /nfs/dbraw/zinc/33/98/83/980339883.db2.gz FOWMXNNOJZLGQZ-UHFFFAOYSA-N 1 2 245.326 2.620 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cnn(C(F)F)c1 ZINC001238866995 980353416 /nfs/dbraw/zinc/35/34/16/980353416.db2.gz NJXBJRHMGSKNCE-UHFFFAOYSA-N 1 2 248.236 2.901 20 0 BFADLO Sc1ccccc1C1=CCC[NH2+]CC1 ZINC001238938820 980377615 /nfs/dbraw/zinc/37/76/15/980377615.db2.gz BIKBUOYQRHQUMR-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO Sc1cccc(C2=CCC[NH2+]CC2)c1 ZINC001238940120 980379240 /nfs/dbraw/zinc/37/92/40/980379240.db2.gz LYTUGBRPZJNODW-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncc(F)c2)c1 ZINC001203653982 980472919 /nfs/dbraw/zinc/47/29/19/980472919.db2.gz AHPDPKAUMAQPIM-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Fc1ccc(-c2cnoc2)cc1-n1cc[nH+]c1 ZINC001239188422 980493125 /nfs/dbraw/zinc/49/31/25/980493125.db2.gz GUGFKEHDYKDNGK-UHFFFAOYSA-N 1 2 229.214 2.666 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-c2cnoc2)c1 ZINC001239189070 980494495 /nfs/dbraw/zinc/49/44/95/980494495.db2.gz RRLAEWVKBGYWOG-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1cc(Nc2cc(C)c[nH+]c2C)n(CCF)n1 ZINC001203660746 980502506 /nfs/dbraw/zinc/50/25/06/980502506.db2.gz KYUIAAOPUMCOGR-UHFFFAOYSA-N 1 2 248.305 2.916 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cccc(CO)c2)c1 ZINC001203663926 980532296 /nfs/dbraw/zinc/53/22/96/980532296.db2.gz ZLYBAUVZHSNFKK-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CNc1ccc(-c2ccn3cc[nH+]c3c2)c(F)n1 ZINC001239410330 980567361 /nfs/dbraw/zinc/56/73/61/980567361.db2.gz TYAUZTWDDOAHQO-UHFFFAOYSA-N 1 2 242.257 2.577 20 0 BFADLO CCC[C@@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345250628 980590511 /nfs/dbraw/zinc/59/05/11/980590511.db2.gz DXDMERZXWNBCRS-LLVKDONJSA-N 1 2 238.331 2.598 20 0 BFADLO Cc1ccc(-c2cc[nH+]c3c2CCN3)c(C)n1 ZINC001239470715 980601846 /nfs/dbraw/zinc/60/18/46/980601846.db2.gz SIOFOPVTQXLMBL-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO Cc1ccc(-c2ccc(F)cc2)[nH+]c1N ZINC001239473267 980606248 /nfs/dbraw/zinc/60/62/48/980606248.db2.gz NCCAFZWIWUDULZ-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO COc1ccc(-c2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC001239484812 980633190 /nfs/dbraw/zinc/63/31/90/980633190.db2.gz ZHXBQUCTLBXPIC-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO Nc1cn2ccc(-c3ccsc3)cc2[nH+]1 ZINC001239510524 980679905 /nfs/dbraw/zinc/67/99/05/980679905.db2.gz UZBPIZBPRXWUJA-UHFFFAOYSA-N 1 2 215.281 2.645 20 0 BFADLO CC(=O)Nc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001239527838 980702482 /nfs/dbraw/zinc/70/24/82/980702482.db2.gz VICGBZYJBHFAOK-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Cc1ccc(C)c(CCn2cc[nH+]c2)c1 ZINC001250316293 980748733 /nfs/dbraw/zinc/74/87/33/980748733.db2.gz HAQWTCGHNUGASV-UHFFFAOYSA-N 1 2 200.285 2.743 20 0 BFADLO CSc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315558 980754268 /nfs/dbraw/zinc/75/42/68/980754268.db2.gz OSMXFGOMYAFXAJ-UHFFFAOYSA-N 1 2 218.325 2.848 20 0 BFADLO CC(C)(C)c1cc(CCn2cc[nH+]c2)ccn1 ZINC001250319368 980757111 /nfs/dbraw/zinc/75/71/11/980757111.db2.gz QEBWJCGBLWIZAU-UHFFFAOYSA-N 1 2 229.327 2.818 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cccnc2)c1 ZINC001239569852 980757436 /nfs/dbraw/zinc/75/74/36/980757436.db2.gz ZLDRIQWSAFLRES-UHFFFAOYSA-N 1 2 212.252 2.720 20 0 BFADLO CCOc1cc(CCn2cc[nH+]c2)ccc1C ZINC001250319066 980757515 /nfs/dbraw/zinc/75/75/15/980757515.db2.gz ABEDHDOYXZUIMN-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO c1cn(CCc2cccc3ccncc32)c[nH+]1 ZINC001250320184 980762680 /nfs/dbraw/zinc/76/26/80/980762680.db2.gz ZNGMNLZJEFRMEL-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO CNc1cc(-c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC001239604576 980800911 /nfs/dbraw/zinc/80/09/11/980800911.db2.gz KBQYVLZLLNULRO-UHFFFAOYSA-N 1 2 242.278 2.562 20 0 BFADLO CC(=O)c1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001239628270 980817916 /nfs/dbraw/zinc/81/79/16/980817916.db2.gz NNPVNZUMKHMHTM-UHFFFAOYSA-N 1 2 226.279 2.842 20 0 BFADLO CC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001239632305 980819944 /nfs/dbraw/zinc/81/99/44/980819944.db2.gz ILVKSNINMIRLHA-UHFFFAOYSA-N 1 2 226.279 2.842 20 0 BFADLO Cc1cc(Cc2ccc(C)[nH+]c2C)on1 ZINC001250364549 980865056 /nfs/dbraw/zinc/86/50/56/980865056.db2.gz NZNJOFHOAPAZKR-UHFFFAOYSA-N 1 2 202.257 2.586 20 0 BFADLO Cc1ccn2c(CNc3cccc[nH+]3)cnc2c1 ZINC000157431536 980884185 /nfs/dbraw/zinc/88/41/85/980884185.db2.gz LMTZLKVHAGRXCR-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CC(=O)Nc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001239756105 980898832 /nfs/dbraw/zinc/89/88/32/980898832.db2.gz IXJXDSBFTBHHJN-LQIBPGRFSA-N 1 2 216.284 2.521 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc[nH+]1 ZINC001347253657 981021271 /nfs/dbraw/zinc/02/12/71/981021271.db2.gz QSMGBBANXSSJIB-BBBLOLIVSA-N 1 2 239.269 2.631 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc[nH+]1 ZINC001347253660 981022707 /nfs/dbraw/zinc/02/27/07/981022707.db2.gz QSMGBBANXSSJIB-KXUCPTDWSA-N 1 2 239.269 2.631 20 0 BFADLO Cc1cnc(C)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001239913192 981031048 /nfs/dbraw/zinc/03/10/48/981031048.db2.gz COGGFBQCRPWSQH-UHFFFAOYSA-N 1 2 239.322 2.761 20 0 BFADLO COc1ccc2[nH]c(CC3CCOCC3)[nH+]c2c1 ZINC001250433353 981077808 /nfs/dbraw/zinc/07/78/08/981077808.db2.gz JFKCAZHFOKWULB-UHFFFAOYSA-N 1 2 246.310 2.541 20 0 BFADLO CNC(=O)c1cccc(-c2cc(C)[nH+]c(C)c2)c1 ZINC001240013596 981101402 /nfs/dbraw/zinc/10/14/02/981101402.db2.gz FUSZTGUHWRIWHV-UHFFFAOYSA-N 1 2 240.306 2.725 20 0 BFADLO Cc1c(F)ccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214885 981163229 /nfs/dbraw/zinc/16/32/29/981163229.db2.gz QPOYMJKPQPSXJL-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cc(-c3cc(C4CC4)ncn3)ccc2[nH+]1 ZINC001240215984 981164360 /nfs/dbraw/zinc/16/43/60/981164360.db2.gz AIAMHRWAQJALRL-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO CC(C)c1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240215332 981164595 /nfs/dbraw/zinc/16/45/95/981164595.db2.gz XRHDOOGQCKNDKZ-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO COc1cnc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240218008 981165425 /nfs/dbraw/zinc/16/54/25/981165425.db2.gz VZNBQXOAPHIETN-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CCCc1nccnc1-c1ccc2[nH+]ccn2c1 ZINC001240217581 981166056 /nfs/dbraw/zinc/16/60/56/981166056.db2.gz QXNVPINELJJJRW-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1N ZINC001240217424 981166683 /nfs/dbraw/zinc/16/66/83/981166683.db2.gz CJNFHHVMNPSFRS-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1cnc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240217855 981166746 /nfs/dbraw/zinc/16/67/46/981166746.db2.gz YSMGOIPZVIMTLD-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cc2c(nccc2-c2ccc3[nH+]ccn3c2)[nH]1 ZINC001240218041 981166776 /nfs/dbraw/zinc/16/67/76/981166776.db2.gz XQGBURWKFSAIFC-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cnc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240217262 981167243 /nfs/dbraw/zinc/16/72/43/981167243.db2.gz JQIGHCZGYTVVHT-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Fc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240217272 981168198 /nfs/dbraw/zinc/16/81/98/981168198.db2.gz KMGRGFVKYMTXHE-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO COc1ncc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240219831 981170708 /nfs/dbraw/zinc/17/07/08/981170708.db2.gz WFPVNVPWDCWLCZ-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1cc(-c2ccc3nccn3c2)c2[nH+]ccn2c1 ZINC001240219819 981171570 /nfs/dbraw/zinc/17/15/70/981171570.db2.gz VWDYFKWIYFIHQJ-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO c1cn2cc(-c3cncc4ncoc43)ccc2[nH+]1 ZINC001240218345 981172031 /nfs/dbraw/zinc/17/20/31/981172031.db2.gz BCQGBRVJNIVFML-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO Fc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001250483364 981179064 /nfs/dbraw/zinc/17/90/64/981179064.db2.gz LVRMYZYJMXWQKV-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccc(C)nc1 ZINC001240225087 981183905 /nfs/dbraw/zinc/18/39/05/981183905.db2.gz WNIKWNZUULVLGQ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(N2CCCCC2)[nH+]cc1-c1cn[nH]c1 ZINC001240240826 981212032 /nfs/dbraw/zinc/21/20/32/981212032.db2.gz CUMJLSYMZUCPPS-UHFFFAOYSA-N 1 2 242.326 2.770 20 0 BFADLO COc1cc(-c2cc(C)[nH+]c(C)c2)ccn1 ZINC001240256778 981230796 /nfs/dbraw/zinc/23/07/96/981230796.db2.gz VMQLCJXJILGKLS-UHFFFAOYSA-N 1 2 214.268 2.769 20 0 BFADLO Cc1cc(F)cc(N2CCSC(C)(C)C2)[nH+]1 ZINC001348031629 981253336 /nfs/dbraw/zinc/25/33/36/981253336.db2.gz OTRDGWUGVROHMV-UHFFFAOYSA-N 1 2 240.347 2.861 20 0 BFADLO Cc1nn(C)cc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001240300791 981258650 /nfs/dbraw/zinc/25/86/50/981258650.db2.gz YAOGXTQSSDKKQB-UHFFFAOYSA-N 1 2 238.294 2.581 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cncnc2)cc1 ZINC001240377769 981331634 /nfs/dbraw/zinc/33/16/34/981331634.db2.gz RWQWKSNGLIQAKU-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO CC(C)CCn1cc(-c2ccc[nH+]c2N)cn1 ZINC001240417336 981365012 /nfs/dbraw/zinc/36/50/12/981365012.db2.gz BQJGBCZRWHYHPZ-UHFFFAOYSA-N 1 2 230.315 2.573 20 0 BFADLO Cc1nn(C)c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001240456330 981392861 /nfs/dbraw/zinc/39/28/61/981392861.db2.gz FVMDBGJJXDAWFR-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CCCCOC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001193669364 981404843 /nfs/dbraw/zinc/40/48/43/981404843.db2.gz ANZPYVKYKRWMKD-UHFFFAOYSA-N 1 2 233.271 2.683 20 0 BFADLO CC(C)c1cncnc1-c1ccn2cc[nH+]c2c1 ZINC001240496697 981417623 /nfs/dbraw/zinc/41/76/23/981417623.db2.gz QSGMDXQZTDUWDX-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Cc1ccnc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240497011 981417635 /nfs/dbraw/zinc/41/76/35/981417635.db2.gz VUHAQBYQGTVYIC-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3cc4ccccc4nn3)cc2[nH+]1 ZINC001240496438 981417685 /nfs/dbraw/zinc/41/76/85/981417685.db2.gz OERSEWVVLWFDIY-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1cc2c(ncnc2-c2ccn3cc[nH+]c3c2)[nH]1 ZINC001240496716 981418865 /nfs/dbraw/zinc/41/88/65/981418865.db2.gz RIGLILPLJGNLJE-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)nc2[nH]cnc21 ZINC001240497506 981419045 /nfs/dbraw/zinc/41/90/45/981419045.db2.gz QRHKAIIYOZOTMU-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cn2ccc(-c3ncnc4ccccc43)cc2[nH+]1 ZINC001240496826 981419114 /nfs/dbraw/zinc/41/91/14/981419114.db2.gz PVOWGTCXSQDIDQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1nc(C)c(F)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240503635 981429961 /nfs/dbraw/zinc/42/99/61/981429961.db2.gz PVXFMUOITYDLAU-UHFFFAOYSA-N 1 2 242.257 2.547 20 0 BFADLO COc1ccnc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240503007 981431214 /nfs/dbraw/zinc/43/12/14/981431214.db2.gz FQSSGMVVZPDEIW-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO FC(F)c1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503345 981432162 /nfs/dbraw/zinc/43/21/62/981432162.db2.gz LZVYUCMETMLSPA-UHFFFAOYSA-N 1 2 246.220 2.729 20 0 BFADLO c1cn2ccc(-c3cncc4cccnc43)cc2[nH+]1 ZINC001240508615 981432788 /nfs/dbraw/zinc/43/27/88/981432788.db2.gz FRFILGHIQJLCMC-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Fc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240509129 981434664 /nfs/dbraw/zinc/43/46/64/981434664.db2.gz RTBJVTDIRDDFAG-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1ncc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240511994 981436803 /nfs/dbraw/zinc/43/68/03/981436803.db2.gz NZDUQIKJCWDICA-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1c(F)cncc1-c1ccn2cc[nH+]c2c1 ZINC001240512281 981439808 /nfs/dbraw/zinc/43/98/08/981439808.db2.gz STZBGRXXFFQZCW-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CC(C)COC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001193801950 981451907 /nfs/dbraw/zinc/45/19/07/981451907.db2.gz KWWZPBAGYNHEHY-UHFFFAOYSA-N 1 2 233.271 2.539 20 0 BFADLO Nc1ccc(-c2cccc(N3CCCC3)c2)c[nH+]1 ZINC001240536588 981469172 /nfs/dbraw/zinc/46/91/72/981469172.db2.gz UKGPZEFSDMZZPX-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO COc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1O ZINC001240614334 981512157 /nfs/dbraw/zinc/51/21/57/981512157.db2.gz MAVSXLBBKXZBPE-UHFFFAOYSA-N 1 2 244.294 2.529 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)ccc1O ZINC001240615142 981512785 /nfs/dbraw/zinc/51/27/85/981512785.db2.gz HAEWSSLWKXQORS-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CCn1cc(-c2cn3cc[nH+]c3cc2C)cn1 ZINC001240650094 981555479 /nfs/dbraw/zinc/55/54/79/981555479.db2.gz RZJKBNJGUVKOEP-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO COc1cc(-c2ccc(N)[nH+]c2)cc(F)c1F ZINC001240661743 981568779 /nfs/dbraw/zinc/56/87/79/981568779.db2.gz MWQVHCJAOXHIFJ-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO CC(C)(CF)[NH2+]Cc1nc(Cl)cs1 ZINC001349619520 981597502 /nfs/dbraw/zinc/59/75/02/981597502.db2.gz BSQBZIIPCMVUPU-UHFFFAOYSA-N 1 2 222.716 2.634 20 0 BFADLO CC1(C)C[N@H+](Cc2nc(C3CCC3)no2)C1(C)C ZINC001349647936 981606823 /nfs/dbraw/zinc/60/68/23/981606823.db2.gz HCIASHUFWDOTQP-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC1(C)C[N@@H+](Cc2nc(C3CCC3)no2)C1(C)C ZINC001349647936 981606827 /nfs/dbraw/zinc/60/68/27/981606827.db2.gz HCIASHUFWDOTQP-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)ccn1 ZINC001240716935 981731274 /nfs/dbraw/zinc/73/12/74/981731274.db2.gz JISJDMVYHKFIBF-UHFFFAOYSA-N 1 2 213.284 2.518 20 0 BFADLO Cc1ncccc1-c1cccc2[nH+]ccn21 ZINC001240724522 981763216 /nfs/dbraw/zinc/76/32/16/981763216.db2.gz ZXKIFJKUMHXZKD-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO C[C@H]1CCCC[C@@H]1Cc1nnc(C[NH+](C)C)o1 ZINC001349948230 981824698 /nfs/dbraw/zinc/82/46/98/981824698.db2.gz WVEXZWKKAZELMJ-WDEREUQCSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1ccc(-c2cnc3c(ccn3C)c2)[nH+]c1N ZINC001240828786 981867053 /nfs/dbraw/zinc/86/70/53/981867053.db2.gz SKSGJWMQOVAJST-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CC[C@@H](C)COC(=O)Nc1cccc2[nH+]ccn21 ZINC001194756434 981885429 /nfs/dbraw/zinc/88/54/29/981885429.db2.gz IQCRYOUEQVMKOD-SNVBAGLBSA-N 1 2 247.298 2.929 20 0 BFADLO CC(C)Cn1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240882062 981934446 /nfs/dbraw/zinc/93/44/46/981934446.db2.gz SYXKAHDKKDLJEG-UHFFFAOYSA-N 1 2 240.310 2.854 20 0 BFADLO CNc1cc(-c2ccc3c(c2)OCO3)cc[nH+]1 ZINC001240899956 981948680 /nfs/dbraw/zinc/94/86/80/981948680.db2.gz NENSMPCKESRJKA-UHFFFAOYSA-N 1 2 228.251 2.519 20 0 BFADLO CN(C)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC001240915116 981964978 /nfs/dbraw/zinc/96/49/78/981964978.db2.gz ZCDPVWUEYZMGFF-UHFFFAOYSA-N 1 2 241.338 2.881 20 0 BFADLO CC(C)OC(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC001240948192 982017886 /nfs/dbraw/zinc/01/78/86/982017886.db2.gz RMOVGDWPESXOCM-UHFFFAOYSA-N 1 2 244.294 2.652 20 0 BFADLO COCc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001240948393 982018820 /nfs/dbraw/zinc/01/88/20/982018820.db2.gz LRKORIHJOCQJDT-UHFFFAOYSA-N 1 2 239.278 2.723 20 0 BFADLO CC[C@H](C)OC(=O)Nc1cccc2[nH+]ccn21 ZINC001195070399 982046104 /nfs/dbraw/zinc/04/61/04/982046104.db2.gz QTCXPUDNHQUDOP-VIFPVBQESA-N 1 2 233.271 2.681 20 0 BFADLO CC[C@@H](C)OC(=O)Nc1cccc2[nH+]ccn21 ZINC001195070398 982049141 /nfs/dbraw/zinc/04/91/41/982049141.db2.gz QTCXPUDNHQUDOP-SECBINFHSA-N 1 2 233.271 2.681 20 0 BFADLO CC[C@@H](C)OC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001195076261 982053955 /nfs/dbraw/zinc/05/39/55/982053955.db2.gz JOCJGOVYGXYQDI-SECBINFHSA-N 1 2 233.271 2.681 20 0 BFADLO Oc1ccccc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001241008745 982102561 /nfs/dbraw/zinc/10/25/61/982102561.db2.gz KXQNLPHTAOVIID-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO COc1c(C)cc(-c2c[nH+]cn2C)cc1C ZINC001241017006 982112343 /nfs/dbraw/zinc/11/23/43/982112343.db2.gz OEIGYAWQNIWYCL-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO COc1cc(-c2cc[nH+]c(N)c2)ccc1C ZINC001241034275 982133900 /nfs/dbraw/zinc/13/39/00/982133900.db2.gz UKAXEQYJNVBOHT-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1ccccc1-c1cc[nH+]c(N2CCCC2)c1 ZINC001241066855 982184291 /nfs/dbraw/zinc/18/42/91/982184291.db2.gz ORYFINDYVYWYFA-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO CCOc1cc(-c2ccc(N)[nH+]c2)ccc1F ZINC001241069407 982188804 /nfs/dbraw/zinc/18/88/04/982188804.db2.gz WBJJTKVLRIXFLG-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Cc1cn2cc(-c3ccccc3N)ccc2[nH+]1 ZINC001241072606 982190923 /nfs/dbraw/zinc/19/09/23/982190923.db2.gz PRQLQIPWFMNYRU-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Oc1cc(F)c(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001241121756 982248894 /nfs/dbraw/zinc/24/88/94/982248894.db2.gz FSIAVDNWFAPCHO-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO COc1cc(OC)cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001241128494 982258390 /nfs/dbraw/zinc/25/83/90/982258390.db2.gz DJCPXIIAFQWRJL-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO Nc1cc(-c2cccc(-c3cnco3)c2)cc[nH+]1 ZINC001241162355 982303346 /nfs/dbraw/zinc/30/33/46/982303346.db2.gz HUZOOKQIFNLNDC-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1cc(-c2ccccc2-c2ncc[nH]2)cc[nH+]1 ZINC001241169894 982312594 /nfs/dbraw/zinc/31/25/94/982312594.db2.gz QKOHZFVHUKFBOK-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO Cc1nc(OC(C)C)ccc1-c1cc[nH+]c(N)c1 ZINC001241169511 982315070 /nfs/dbraw/zinc/31/50/70/982315070.db2.gz CIZXBPLUQFDSGM-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Cc1ncc2ccc(-c3cc[nH+]c(N)c3)cc2n1 ZINC001241170289 982319224 /nfs/dbraw/zinc/31/92/24/982319224.db2.gz GMEBTVXUTJPMQW-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1ccc(-c2ccc3c(c2)OCC3)[nH+]c1N ZINC001241206824 982355840 /nfs/dbraw/zinc/35/58/40/982355840.db2.gz IWZIDMJBSSYNPW-UHFFFAOYSA-N 1 2 226.279 2.574 20 0 BFADLO Cc1cc(C)c(-c2c[nH+]c(N(C)C)cc2C)nn1 ZINC001241228397 982379714 /nfs/dbraw/zinc/37/97/14/982379714.db2.gz KQASEELILZNBID-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241229173 982380103 /nfs/dbraw/zinc/38/01/03/982380103.db2.gz ZHVVJOJJMUEUGC-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cnn(C(C)C)c1 ZINC001241243523 982386759 /nfs/dbraw/zinc/38/67/59/982386759.db2.gz JFBRYDDWBNIJED-UHFFFAOYSA-N 1 2 244.342 2.900 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccnc(F)c1F ZINC001241248453 982388715 /nfs/dbraw/zinc/38/87/15/982388715.db2.gz LJPABGAAPNFDME-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO CC(=O)c1ccc(-c2ccc(C)c(N)[nH+]2)cc1F ZINC001241257214 982393840 /nfs/dbraw/zinc/39/38/40/982393840.db2.gz MJVPMSNZICIFMS-UHFFFAOYSA-N 1 2 244.269 2.981 20 0 BFADLO COc1cc(Nc2[nH+]cccc2N)ccc1F ZINC000159821172 982431396 /nfs/dbraw/zinc/43/13/96/982431396.db2.gz HOYDVNRGUJGSGF-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]c(C2CCC2)n1)[C@@H](C)O ZINC001352052564 982448505 /nfs/dbraw/zinc/44/85/05/982448505.db2.gz QSLHFSDSHZSMAN-PWSUYJOCSA-N 1 2 249.358 2.624 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])ccc1F ZINC001241419132 982568556 /nfs/dbraw/zinc/56/85/56/982568556.db2.gz WOUPHLYXWYEXCZ-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO Cn1ncc2cc(-c3cccc4[nH+]ccn43)ccc21 ZINC001241439318 982590907 /nfs/dbraw/zinc/59/09/07/982590907.db2.gz YJYHXVPHRYPIDV-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cncs1 ZINC001241497612 982620238 /nfs/dbraw/zinc/62/02/38/982620238.db2.gz NRNZYWVXGVVBEN-UHFFFAOYSA-N 1 2 219.313 2.580 20 0 BFADLO Cc1cc(-c2ccc3nccnc3c2)c[nH+]c1N ZINC001241493002 982643078 /nfs/dbraw/zinc/64/30/78/982643078.db2.gz FIZVTTTXRAXHIK-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cncs1 ZINC001241499777 982657546 /nfs/dbraw/zinc/65/75/46/982657546.db2.gz IQQQOIUJQSAIMZ-UHFFFAOYSA-N 1 2 206.270 2.522 20 0 BFADLO CNc1cc(-c2cc3c[nH]nc3c(C)c2)cc[nH+]1 ZINC001241517114 982677422 /nfs/dbraw/zinc/67/74/22/982677422.db2.gz SGZWZPWBUCEHJZ-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)cc2c[nH]nc21 ZINC001241516279 982677634 /nfs/dbraw/zinc/67/76/34/982677634.db2.gz CQZGETZWPDSUOX-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1ccc2n[nH]cc2c1-c1ccc[nH+]c1N ZINC001241520534 982684595 /nfs/dbraw/zinc/68/45/95/982684595.db2.gz XADWWSKUGJEMFE-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1ccc(-c2ccc3cn(C)nc3c2)[nH+]c1N ZINC001241600206 982840266 /nfs/dbraw/zinc/84/02/66/982840266.db2.gz GGYPMQNITFUPPT-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO c1cn2c(cccc2-c2ccc3[nH]cnc3c2)[nH+]1 ZINC001241696486 982953487 /nfs/dbraw/zinc/95/34/87/982953487.db2.gz INPAXKPNUROZNK-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1cc(C)c(-c2cccc3[nH+]ccn32)cn1 ZINC001241760944 983035591 /nfs/dbraw/zinc/03/55/91/983035591.db2.gz GZUALIXAOMQFKL-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCCn1nc(C)cc1-c1cc[nH+]c(NC)c1 ZINC001241764796 983041459 /nfs/dbraw/zinc/04/14/59/983041459.db2.gz BNRUEISFVOWYOR-UHFFFAOYSA-N 1 2 230.315 2.705 20 0 BFADLO Nc1ccc(-c2ccc3scnc3c2)c[nH+]1 ZINC001241866834 983088289 /nfs/dbraw/zinc/08/82/89/983088289.db2.gz KDVPIHZAWOMBCO-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1ccc(Nc2cccc3c2CCC3)c[nH+]1 ZINC001201284098 983155669 /nfs/dbraw/zinc/15/56/69/983155669.db2.gz JHJFXFYOWVBFKJ-UHFFFAOYSA-N 1 2 225.295 2.896 20 0 BFADLO Cc1cc(C)c(Nc2ccc(N)[nH+]c2)c(C)c1N ZINC001201287153 983165919 /nfs/dbraw/zinc/16/59/19/983165919.db2.gz WHFXYRPYHPOIEL-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO Cc1cc(F)c(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201287199 983166608 /nfs/dbraw/zinc/16/66/08/983166608.db2.gz YTGLPIXRAFCJLA-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO COCc1ccc(Nc2ccc(N)[nH+]c2)cc1F ZINC001201292903 983172856 /nfs/dbraw/zinc/17/28/56/983172856.db2.gz UJWGZUHHXFETAM-UHFFFAOYSA-N 1 2 247.273 2.693 20 0 BFADLO Cc1ncc(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201276620 983177330 /nfs/dbraw/zinc/17/73/30/983177330.db2.gz YFZCAHKHVRUUSI-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Nc1ccc(Nc2cnc(Cl)c(F)c2)c[nH+]1 ZINC001201278169 983178157 /nfs/dbraw/zinc/17/81/57/983178157.db2.gz DASAQGSDWICPNM-UHFFFAOYSA-N 1 2 238.653 2.595 20 0 BFADLO Cc1cc(-c2ccc3c(c2)NC(=O)C3)cc(C)[nH+]1 ZINC001241991984 983184315 /nfs/dbraw/zinc/18/43/15/983184315.db2.gz APBSJNRHWYYOID-UHFFFAOYSA-N 1 2 238.290 2.860 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CC(=O)N3)cc(C)[nH+]1 ZINC001241991798 983184542 /nfs/dbraw/zinc/18/45/42/983184542.db2.gz RHHGHHWOLZRYQP-UHFFFAOYSA-N 1 2 238.290 2.860 20 0 BFADLO c1cn2ccc(-c3cccc4c3OCC4)cc2[nH+]1 ZINC001242009213 983200009 /nfs/dbraw/zinc/20/00/09/983200009.db2.gz KEWRGUUDPUFWRV-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO c1cn2c(cccc2-c2cccc3c2OCC3)[nH+]1 ZINC001242011491 983203492 /nfs/dbraw/zinc/20/34/92/983203492.db2.gz YYBBZVMDQPYRJV-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO CCc1ccc(N2C[C@H](OC)CC[C@H]2C)[nH+]c1 ZINC001354248909 983223328 /nfs/dbraw/zinc/22/33/28/983223328.db2.gz VVBKGQVRRPTGDL-DGCLKSJQSA-N 1 2 234.343 2.648 20 0 BFADLO CC(C)(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201446883 983248852 /nfs/dbraw/zinc/24/88/52/983248852.db2.gz JQARAEKBSCQPKX-UHFFFAOYSA-N 1 2 242.363 2.543 20 0 BFADLO CC(C)(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201446883 983248860 /nfs/dbraw/zinc/24/88/60/983248860.db2.gz JQARAEKBSCQPKX-UHFFFAOYSA-N 1 2 242.363 2.543 20 0 BFADLO c1cn(Cc2ccc(C3=CCOCC3)cc2)c[nH+]1 ZINC001242075759 983318910 /nfs/dbraw/zinc/31/89/10/983318910.db2.gz HIRBRGNKFBUZPR-UHFFFAOYSA-N 1 2 240.306 2.735 20 0 BFADLO CCCC[C@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252078605 983324046 /nfs/dbraw/zinc/32/40/46/983324046.db2.gz VPABKCOHBCTZHH-AWEZNQCLSA-N 1 2 236.359 2.716 20 0 BFADLO CCSc1cncc(-c2c[nH+]c(N)cc2C)n1 ZINC001242077777 983324893 /nfs/dbraw/zinc/32/48/93/983324893.db2.gz KDKTVUQTPMDKIV-UHFFFAOYSA-N 1 2 246.339 2.541 20 0 BFADLO Cc1cc(N(C)C)nc(-c2ccc(O)c(C)c2)[nH+]1 ZINC001242105358 983347524 /nfs/dbraw/zinc/34/75/24/983347524.db2.gz XQRASBQYKXJOCP-UHFFFAOYSA-N 1 2 243.310 2.532 20 0 BFADLO Cc1noc(C)c1-c1c[nH+]c(N(C)C)cc1C ZINC001242106001 983351232 /nfs/dbraw/zinc/35/12/32/983351232.db2.gz JOHNHZJNVHTSTR-UHFFFAOYSA-N 1 2 231.299 2.728 20 0 BFADLO Cc1cc(C)c(Nc2cncc(O)c2)c[nH+]1 ZINC001201632664 983358501 /nfs/dbraw/zinc/35/85/01/983358501.db2.gz LXYUDFYPMXFUHF-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Nc1[nH+]cccc1-c1cncc(C2CC2)c1 ZINC001242195723 983404369 /nfs/dbraw/zinc/40/43/69/983404369.db2.gz KIXGZBZXMPBHEF-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncc(C2CC2)c1 ZINC001242197565 983406114 /nfs/dbraw/zinc/40/61/14/983406114.db2.gz QOVWFFHQYWRIMW-ZRSOPRJESA-N 1 2 200.285 2.835 20 0 BFADLO CC(C)CCCC[N@@H+]1CCCc2[nH]ncc2C1 ZINC001355335156 983474622 /nfs/dbraw/zinc/47/46/22/983474622.db2.gz YDQRHNDHINFJOA-UHFFFAOYSA-N 1 2 235.375 2.984 20 0 BFADLO CC(C)CCCC[N@H+]1CCCc2[nH]ncc2C1 ZINC001355335156 983474629 /nfs/dbraw/zinc/47/46/29/983474629.db2.gz YDQRHNDHINFJOA-UHFFFAOYSA-N 1 2 235.375 2.984 20 0 BFADLO CCC/C=C/c1cc[nH+]c(N2CCOCC2)c1 ZINC001242254740 983479682 /nfs/dbraw/zinc/47/96/82/983479682.db2.gz ADPUDDLMRMEDOS-SNAWJCMRSA-N 1 2 232.327 2.732 20 0 BFADLO Cc1cccc(-c2c[nH+]c(N)c(C)c2)c1O ZINC001242346843 983605597 /nfs/dbraw/zinc/60/55/97/983605597.db2.gz KWXNORMADHUMHP-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1cn2c(cccc2NC(=O)NC(C)(C)C)[nH+]1 ZINC001202469196 983678243 /nfs/dbraw/zinc/67/82/43/983678243.db2.gz SGYHDWWYAULJAG-UHFFFAOYSA-N 1 2 246.314 2.563 20 0 BFADLO Cc1cc(-c2cc[nH+]c3c2CCN3)c(C)o1 ZINC001242407210 983706105 /nfs/dbraw/zinc/70/61/05/983706105.db2.gz HIJISCUYDVLENO-UHFFFAOYSA-N 1 2 214.268 2.926 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)c(C)o1 ZINC001242408786 983713718 /nfs/dbraw/zinc/71/37/18/983713718.db2.gz ZNZKUCWWTSAFNY-UHFFFAOYSA-N 1 2 202.257 2.849 20 0 BFADLO Cc1cc(NC(=O)C23CCC(CC2)CC3)cc[nH+]1 ZINC001357914077 983804137 /nfs/dbraw/zinc/80/41/37/983804137.db2.gz RLOXBIOAFUQSLM-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO CSCCC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001473880285 983896102 /nfs/dbraw/zinc/89/61/02/983896102.db2.gz WCAOPHQCGKVVFP-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CSCCC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001473880285 983896105 /nfs/dbraw/zinc/89/61/05/983896105.db2.gz WCAOPHQCGKVVFP-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CNc1cc(-c2ccc3ocnc3c2)cc[nH+]1 ZINC001242598731 983935091 /nfs/dbraw/zinc/93/50/91/983935091.db2.gz RZVQWVPHHMASGS-UHFFFAOYSA-N 1 2 225.251 2.932 20 0 BFADLO CC(=O)c1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001242610233 983970662 /nfs/dbraw/zinc/97/06/62/983970662.db2.gz CJLPSZXDAOBNSN-UHFFFAOYSA-N 1 2 237.262 2.599 20 0 BFADLO CC(C)Cc1ccc(N2CCCC2)[nH+]c1 ZINC000201455645 983993845 /nfs/dbraw/zinc/99/38/45/983993845.db2.gz CJXMPTJNJKRDIZ-UHFFFAOYSA-N 1 2 204.317 2.880 20 0 BFADLO C[C@H](O)c1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001242641126 984009841 /nfs/dbraw/zinc/00/98/41/984009841.db2.gz CXOOHHYQFJSCOZ-VIFPVBQESA-N 1 2 239.278 2.630 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162861 984009800 /nfs/dbraw/zinc/00/98/00/984009800.db2.gz MHMACXDBSPLJSU-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001137162861 984009805 /nfs/dbraw/zinc/00/98/05/984009805.db2.gz MHMACXDBSPLJSU-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ccc(CO)cc1-c1ccc2[nH+]ccn2c1 ZINC001242668548 984034990 /nfs/dbraw/zinc/03/49/90/984034990.db2.gz UOHHBPDEWFGJNN-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO C/C=C(\C)c1cc(N(C)C)c(C(=O)OCC)c[nH+]1 ZINC001242754993 984107716 /nfs/dbraw/zinc/10/77/16/984107716.db2.gz LDJVPGFFFYIJQX-UXBLZVDNSA-N 1 2 248.326 2.748 20 0 BFADLO C/C=C(\C)c1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001242757368 984113212 /nfs/dbraw/zinc/11/32/12/984113212.db2.gz INQZVWYXKOYHKL-WEVVVXLNSA-N 1 2 228.299 2.702 20 0 BFADLO Cc1cc(-c2cccc(O)c2Cl)c[nH+]c1N ZINC001242800013 984169430 /nfs/dbraw/zinc/16/94/30/984169430.db2.gz AZBSVWXYYQKFNQ-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Nc1c(F)cc(-c2cccn3cc[nH+]c23)cc1F ZINC001242838750 984187984 /nfs/dbraw/zinc/18/79/84/984187984.db2.gz HMGDQKCWFLUFQC-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO CCCn1nccc1-c1c[nH+]c(C)cc1OC ZINC001242843637 984191355 /nfs/dbraw/zinc/19/13/55/984191355.db2.gz FLXRFKQQICIYKX-UHFFFAOYSA-N 1 2 231.299 2.672 20 0 BFADLO CCCn1nccc1-c1c[nH+]c(N(C)C)cc1C ZINC001242845424 984195034 /nfs/dbraw/zinc/19/50/34/984195034.db2.gz YLZUJBJZGFBLOU-UHFFFAOYSA-N 1 2 244.342 2.730 20 0 BFADLO Sc1cccc(-c2ccc3c(n2)C[NH2+]CC3)c1 ZINC001242865195 984208771 /nfs/dbraw/zinc/20/87/71/984208771.db2.gz XUPWIVLKNHGALY-UHFFFAOYSA-N 1 2 242.347 2.683 20 0 BFADLO c1csc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC001242896954 984256255 /nfs/dbraw/zinc/25/62/55/984256255.db2.gz CJHTUGZJBSSJHL-UHFFFAOYSA-N 1 2 227.292 2.996 20 0 BFADLO Cc1ccc(-c2cc3[nH]ccc3c[nH+]2)nc1 ZINC001242903997 984265682 /nfs/dbraw/zinc/26/56/82/984265682.db2.gz JAHKVQPVJHSNBY-UHFFFAOYSA-N 1 2 209.252 2.933 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cnn2ccccc12 ZINC001242965723 984329984 /nfs/dbraw/zinc/32/99/84/984329984.db2.gz GHHWFTRMHCCCKC-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1c(-c2cnn3ccccc23)ccc2[nH+]ccn21 ZINC001242967272 984332102 /nfs/dbraw/zinc/33/21/02/984332102.db2.gz LCFMJMBFDMHZMB-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc(C)c1F ZINC001243066848 984478112 /nfs/dbraw/zinc/47/81/12/984478112.db2.gz NDZYSYMSXYFODQ-UHFFFAOYSA-N 1 2 204.248 2.843 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)c2cc[nH]c21 ZINC001243067778 984483477 /nfs/dbraw/zinc/48/34/77/984483477.db2.gz QAJRVGRXUCWWKC-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO Cn1c[nH+]cc1-c1ccccc1-c1cnco1 ZINC001243068512 984487515 /nfs/dbraw/zinc/48/75/15/984487515.db2.gz BIKXYGGOSVAHPI-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO CC(=O)Nc1c(C)cc(-c2c[nH+]cn2C)cc1C ZINC001243070486 984492020 /nfs/dbraw/zinc/49/20/20/984492020.db2.gz FUJKDRHELQJWBP-UHFFFAOYSA-N 1 2 243.310 2.662 20 0 BFADLO Cc1nc(OC(C)C)ccc1-c1c[nH+]cn1C ZINC001243069995 984492163 /nfs/dbraw/zinc/49/21/63/984492163.db2.gz DKWVIFOORRPLQT-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO Cc1cc2cc(-c3c[nH+]cn3C)ccc2[nH]1 ZINC001243071374 984497154 /nfs/dbraw/zinc/49/71/54/984497154.db2.gz QWDDLWAHQHDRFJ-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cc1cc(N(C)C)cc(C)c1-c1c[nH+]cn1C ZINC001243071715 984497529 /nfs/dbraw/zinc/49/75/29/984497529.db2.gz YZHYORGTHWMOLC-UHFFFAOYSA-N 1 2 229.327 2.770 20 0 BFADLO Cc1ccc(-c2c[nH+]cn2C)c2cc[nH]c21 ZINC001243071172 984500948 /nfs/dbraw/zinc/50/09/48/984500948.db2.gz OMLPZYLAGKQCIW-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cc1ncc(-c2c[nH+]cn2C)cc1C(F)(F)F ZINC001243072945 984504663 /nfs/dbraw/zinc/50/46/63/984504663.db2.gz UPEOJXPDHSPEJS-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO Cc1cnc(F)c(-c2cccc3[nH+]ccn32)c1 ZINC001243163019 984615041 /nfs/dbraw/zinc/61/50/41/984615041.db2.gz DDJKXHWVWIAACD-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Nc1[nH+]cccc1-c1cc(Cl)cc2n[nH]cc21 ZINC001243317403 984824309 /nfs/dbraw/zinc/82/43/09/984824309.db2.gz YEJFPDWUEFZGKZ-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO CC(=O)Oc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001243361428 984842597 /nfs/dbraw/zinc/84/25/97/984842597.db2.gz DNHWLSPWPZYXBK-UHFFFAOYSA-N 1 2 242.278 2.565 20 0 BFADLO Cn1c[nH+]cc1-c1cc(Cl)nc(Cl)c1 ZINC001243368543 984846351 /nfs/dbraw/zinc/84/63/51/984846351.db2.gz CEMVJYPEYHXNPE-UHFFFAOYSA-N 1 2 228.082 2.789 20 0 BFADLO Cc1cc(-c2ccncc2Cl)c[nH+]c1N ZINC001243388102 984878740 /nfs/dbraw/zinc/87/87/40/984878740.db2.gz HKRIDFBLZWCJSZ-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO Nc1cc(-c2cccn3cc[nH+]c23)ccc1F ZINC001243454432 984958334 /nfs/dbraw/zinc/95/83/34/984958334.db2.gz RVIVAMUYFMUULX-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO CCCC[C@H](CC)[N@@H+]1CCOCC(F)(F)C1 ZINC001257419659 984982268 /nfs/dbraw/zinc/98/22/68/984982268.db2.gz YWZKUKDNJGTGEZ-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO CCCC[C@H](CC)[N@H+]1CCOCC(F)(F)C1 ZINC001257419659 984982281 /nfs/dbraw/zinc/98/22/81/984982281.db2.gz YWZKUKDNJGTGEZ-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO CSc1ncc(-c2ccc[nH+]c2N)cc1C ZINC001243472101 985019146 /nfs/dbraw/zinc/01/91/46/985019146.db2.gz BPXMJJDUYDNXPR-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO COc1c(F)cc(C)cc1-c1ccc[nH+]c1N ZINC001243477007 985038982 /nfs/dbraw/zinc/03/89/82/985038982.db2.gz HVGRVHIBMLAYCR-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)OCCC2 ZINC001243477974 985042302 /nfs/dbraw/zinc/04/23/02/985042302.db2.gz UZYZTWFPHPDFAP-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO CCOc1cc(/C(C)=C/C=C/[NH3+])ccc1OC ZINC001243543477 985075181 /nfs/dbraw/zinc/07/51/81/985075181.db2.gz NOPQBVRCJZRPLP-MPEOSAONSA-N 1 2 233.311 2.970 20 0 BFADLO Nc1cc(-c2ccc(Cl)c(O)c2)cc[nH+]1 ZINC001243578396 985127933 /nfs/dbraw/zinc/12/79/33/985127933.db2.gz OVJSKWXBPSQQRP-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO CC(C)(C)n1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001243566848 985128384 /nfs/dbraw/zinc/12/83/84/985128384.db2.gz UGVDLBSILUKDHX-UHFFFAOYSA-N 1 2 242.326 2.668 20 0 BFADLO CC(=O)Nc1ccc(/C(C)=C/C=C/[NH3+])cc1F ZINC001243664914 985156748 /nfs/dbraw/zinc/15/67/48/985156748.db2.gz DZTFLVOWIDTJIB-DDEWIXKASA-N 1 2 234.274 2.660 20 0 BFADLO OCc1cc(F)cc(-c2cccc3[nH+]ccn32)c1 ZINC001243695615 985217593 /nfs/dbraw/zinc/21/75/93/985217593.db2.gz MIWZSGQMFWFUHX-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1cc(F)cc(CO)c1 ZINC001243697022 985226096 /nfs/dbraw/zinc/22/60/96/985226096.db2.gz HQPCFUOAVYOKDY-UHFFFAOYSA-N 1 2 231.270 2.997 20 0 BFADLO Cc1cc(F)ncc1-c1cccc2[nH+]ccn21 ZINC001243755850 985284629 /nfs/dbraw/zinc/28/46/29/985284629.db2.gz CQHIUBZFVWMANG-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(F)ncc1-c1c[nH+]c2c(c1)CCCN2 ZINC001243762110 985301298 /nfs/dbraw/zinc/30/12/98/985301298.db2.gz QQATXHFJRMRECY-UHFFFAOYSA-N 1 2 243.285 2.592 20 0 BFADLO CCc1cn(Cc2ccc3c(c2)CCC3)c[nH+]1 ZINC001459257715 985421925 /nfs/dbraw/zinc/42/19/25/985421925.db2.gz BKKPTGQPBIPWJH-UHFFFAOYSA-N 1 2 226.323 2.983 20 0 BFADLO OCCc1ccc(-c2cccn3cc[nH+]c23)cc1 ZINC001243848020 985468776 /nfs/dbraw/zinc/46/87/76/985468776.db2.gz CRHFBSOFSHDYJX-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO FC(F)(F)Oc1cccc(Cn2cc[nH+]c2)c1 ZINC001459686604 985586043 /nfs/dbraw/zinc/58/60/43/985586043.db2.gz QSTRNLLNYZFLSI-UHFFFAOYSA-N 1 2 242.200 2.830 20 0 BFADLO Cc1cc(-c2cccc3[nH]cnc32)c[nH+]c1N ZINC001243932101 985605441 /nfs/dbraw/zinc/60/54/41/985605441.db2.gz CMEAQDVWABVKJI-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc2ncnc(C3=C[NH2+]CCC3)c2s1 ZINC001243948745 985628927 /nfs/dbraw/zinc/62/89/27/985628927.db2.gz DZAPYTXEJCQKNK-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO c1csc(-c2cncc(C3=C[NH2+]CCC3)n2)c1 ZINC001243948835 985629364 /nfs/dbraw/zinc/62/93/64/985629364.db2.gz CXUKGMFIFPWPCV-UHFFFAOYSA-N 1 2 243.335 2.929 20 0 BFADLO Cc1ncsc1CCC[N@@H+]1CCC=C(F)C1 ZINC001459822214 985631731 /nfs/dbraw/zinc/63/17/31/985631731.db2.gz SUWPTCGIKVLDMD-UHFFFAOYSA-N 1 2 240.347 2.943 20 0 BFADLO Cc1ncsc1CCC[N@H+]1CCC=C(F)C1 ZINC001459822214 985631743 /nfs/dbraw/zinc/63/17/43/985631743.db2.gz SUWPTCGIKVLDMD-UHFFFAOYSA-N 1 2 240.347 2.943 20 0 BFADLO CSCC[C@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001258213868 985645510 /nfs/dbraw/zinc/64/55/10/985645510.db2.gz ZUHVLEQHMQGOON-VIFPVBQESA-N 1 2 217.353 2.562 20 0 BFADLO CCOCC[N@H+](C)Cc1ccc(C)nc1Cl ZINC000688550240 985676552 /nfs/dbraw/zinc/67/65/52/985676552.db2.gz FQMWNDKIRSJSJE-UHFFFAOYSA-N 1 2 242.750 2.512 20 0 BFADLO CCOCC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000688550240 985676563 /nfs/dbraw/zinc/67/65/63/985676563.db2.gz FQMWNDKIRSJSJE-UHFFFAOYSA-N 1 2 242.750 2.512 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4c(c3)NCC4)nc2[nH]1 ZINC001244014302 985738681 /nfs/dbraw/zinc/73/86/81/985738681.db2.gz FNERSPATCQUBST-UHFFFAOYSA-N 1 2 236.278 2.545 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000083119669 985752832 /nfs/dbraw/zinc/75/28/32/985752832.db2.gz YVRZBXCQFAAQBP-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO CNc1cc(-c2ccc3c(c2)NCC3)cc[nH+]1 ZINC001244019387 985756567 /nfs/dbraw/zinc/75/65/67/985756567.db2.gz RFAHEHMLWBBYQH-UHFFFAOYSA-N 1 2 225.295 2.758 20 0 BFADLO Cc1cc(-c2c(O)cccc2Cl)c[nH+]c1N ZINC001244046625 985783450 /nfs/dbraw/zinc/78/34/50/985783450.db2.gz AENCARAIPRGVIM-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCOc1cc[nH+]cc1NC1=CC[C@@H](OC)CC1 ZINC001212873081 985822547 /nfs/dbraw/zinc/82/25/47/985822547.db2.gz CAMHPOJRQGRZNM-GFCCVEGCSA-N 1 2 248.326 2.975 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(C)nn(C)c2c1 ZINC001244231947 985896696 /nfs/dbraw/zinc/89/66/96/985896696.db2.gz WXZGBVZAEOIHSN-DXNUHORPSA-N 1 2 227.311 2.757 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnccc1C1CC1 ZINC001244282365 985925323 /nfs/dbraw/zinc/92/53/23/985925323.db2.gz VBYPNJJCHUYAMH-GBWIQOKOSA-N 1 2 200.285 2.835 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2cc[nH]c(=O)c2c1 ZINC001244313259 985944971 /nfs/dbraw/zinc/94/49/71/985944971.db2.gz RXSBWNWXQDJEPU-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO Cc1cc(N)ccc1-c1ccn2cc[nH+]c2c1 ZINC001244366944 985997787 /nfs/dbraw/zinc/99/77/87/985997787.db2.gz DHTBBSRRQZAHHM-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1cc(N)ccc1-c1cc[nH+]c(N(C)C)c1 ZINC001244370461 986012648 /nfs/dbraw/zinc/01/26/48/986012648.db2.gz LHBRGQYTGIJGGT-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(Cl)c2c[nH]nc21 ZINC001244388625 986024262 /nfs/dbraw/zinc/02/42/62/986024262.db2.gz JZRIDMVKIJHDEU-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO Nc1ccc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001244400046 986059332 /nfs/dbraw/zinc/05/93/32/986059332.db2.gz RRVQTTJNOLLBPP-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1ccc(-c2cc(C)c(F)c(O)c2)[nH+]c1N ZINC001244507383 986205368 /nfs/dbraw/zinc/20/53/68/986205368.db2.gz NBIZRAYJUWHQEL-UHFFFAOYSA-N 1 2 232.258 2.792 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)cc(C)c1N ZINC001244603808 986277518 /nfs/dbraw/zinc/27/75/18/986277518.db2.gz ZLZXIHNJEYRQIR-GQYICFGZSA-N 1 2 202.301 2.761 20 0 BFADLO CNc1cc(-c2cc(C)cc(C)c2N)cc[nH+]1 ZINC001244617194 986280099 /nfs/dbraw/zinc/28/00/99/986280099.db2.gz UDONOHKATYCUJE-UHFFFAOYSA-N 1 2 227.311 2.989 20 0 BFADLO Nc1cc[nH+]cc1-c1ccc(Cl)c(O)c1F ZINC001244633151 986292808 /nfs/dbraw/zinc/29/28/08/986292808.db2.gz PLIUQXWJNQRPCZ-UHFFFAOYSA-N 1 2 238.649 2.659 20 0 BFADLO Cc1c(F)cncc1-c1cccc2[nH+]ccn21 ZINC001244832733 986374784 /nfs/dbraw/zinc/37/47/84/986374784.db2.gz WRZRLPQIHQPIST-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCCn1cc(C[N@@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC001462410475 986377590 /nfs/dbraw/zinc/37/75/90/986377590.db2.gz YOMCKGOWBWJSFQ-CYBMUJFWSA-N 1 2 239.338 2.535 20 0 BFADLO CCCn1cc(C[N@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC001462410475 986377602 /nfs/dbraw/zinc/37/76/02/986377602.db2.gz YOMCKGOWBWJSFQ-CYBMUJFWSA-N 1 2 239.338 2.535 20 0 BFADLO CC(C)[C@@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001253768769 986392922 /nfs/dbraw/zinc/39/29/22/986392922.db2.gz HRZAFJKSMZYSJR-AWEZNQCLSA-N 1 2 230.311 2.664 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)ccc1C1CC1 ZINC001244890238 986417342 /nfs/dbraw/zinc/41/73/42/986417342.db2.gz WKLLSKLCHGVIFR-UHFFFAOYSA-N 1 2 228.295 2.973 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)cc1N ZINC001244893579 986422795 /nfs/dbraw/zinc/42/27/95/986422795.db2.gz DXUVPNGJLOKOHT-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CO[C@@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000383742892 986427755 /nfs/dbraw/zinc/42/77/55/986427755.db2.gz IOIMQIXWZAFJHC-UONOGXRCSA-N 1 2 234.343 2.732 20 0 BFADLO OCc1ccc(-c2[nH+]ccc3[nH]ccc32)c(F)c1 ZINC001244906978 986433764 /nfs/dbraw/zinc/43/37/64/986433764.db2.gz DGCBZFGWHOHJLZ-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO OCc1ccc(-c2cc3[nH]ccc3c[nH+]2)c(F)c1 ZINC001244910802 986447545 /nfs/dbraw/zinc/44/75/45/986447545.db2.gz WXBPTQMWZQWEJS-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnc(Cl)cc1C ZINC001244917975 986473862 /nfs/dbraw/zinc/47/38/62/986473862.db2.gz YAKPGINHDBQLDN-MSLMYCKWSA-N 1 2 208.692 2.919 20 0 BFADLO Cc1c(Cl)c(-c2c[nH+]cn2C)ccc1CO ZINC001244965679 986544311 /nfs/dbraw/zinc/54/43/11/986544311.db2.gz UJZXPPXZQYHZAU-UHFFFAOYSA-N 1 2 236.702 2.541 20 0 BFADLO CNc1cc(-c2cnc3[nH]cc(F)c3c2)cc[nH+]1 ZINC001244971175 986544891 /nfs/dbraw/zinc/54/48/91/986544891.db2.gz FJGSMWIYHDMTLU-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO CNc1cc(-c2ccc3[nH+]c(C)cn3c2)ccn1 ZINC001244974344 986555133 /nfs/dbraw/zinc/55/51/33/986555133.db2.gz XAIOKNNRBIUYTA-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO CNc1cc(-c2ccc3cnncc3c2)cc[nH+]1 ZINC001244973609 986555658 /nfs/dbraw/zinc/55/56/58/986555658.db2.gz PRXGKGQYBQCADG-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO CNc1cc(-c2cccc3oncc32)cc[nH+]1 ZINC001244973857 986555760 /nfs/dbraw/zinc/55/57/60/986555760.db2.gz RUMZWSYSOOLQNK-UHFFFAOYSA-N 1 2 225.251 2.932 20 0 BFADLO CC(=O)c1cccc(C(C)=CC=C[NH3+])c1F ZINC001245153554 986676478 /nfs/dbraw/zinc/67/64/78/986676478.db2.gz PBVRQQTWOQRWEU-KBXRYBNXSA-N 1 2 219.259 2.904 20 0 BFADLO c1cn(-c2ccc(C3=CCCOC3)cc2)c[nH+]1 ZINC001245159631 986699003 /nfs/dbraw/zinc/69/90/03/986699003.db2.gz XWUCPLQYOUSPSN-UHFFFAOYSA-N 1 2 226.279 2.676 20 0 BFADLO Fc1ccc(C2=CCCOC2)cc1-n1cc[nH+]c1 ZINC001245160668 986708127 /nfs/dbraw/zinc/70/81/27/986708127.db2.gz PNVFJKYVBKQXKC-UHFFFAOYSA-N 1 2 244.269 2.815 20 0 BFADLO FC1(F)CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255019939 986771442 /nfs/dbraw/zinc/77/14/42/986771442.db2.gz NXWAOHUTPFRALF-UHFFFAOYSA-N 1 2 237.293 2.885 20 0 BFADLO FC1(F)CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255019939 986771447 /nfs/dbraw/zinc/77/14/47/986771447.db2.gz NXWAOHUTPFRALF-UHFFFAOYSA-N 1 2 237.293 2.885 20 0 BFADLO F[C@H]1CCCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC001137344982 986811558 /nfs/dbraw/zinc/81/15/58/986811558.db2.gz LZWFXFOKKBUGOX-NSHDSACASA-N 1 2 247.317 2.887 20 0 BFADLO F[C@H]1CCCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC001137344982 986811564 /nfs/dbraw/zinc/81/15/64/986811564.db2.gz LZWFXFOKKBUGOX-NSHDSACASA-N 1 2 247.317 2.887 20 0 BFADLO COc1c(C)cccc1/C(C)=C/C=C/[NH3+] ZINC001245362268 986823685 /nfs/dbraw/zinc/82/36/85/986823685.db2.gz PNFMDOVPNAZMBP-FWMCCXIMSA-N 1 2 203.285 2.879 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccncc1C(F)(F)F ZINC001245443976 986849980 /nfs/dbraw/zinc/84/99/80/986849980.db2.gz TWNIPLNFFVPOBQ-QKVOYMTASA-N 1 2 228.217 2.976 20 0 BFADLO Nc1cc(-c2cc(F)cc(N)c2Cl)cc[nH+]1 ZINC001245466703 986860582 /nfs/dbraw/zinc/86/05/82/986860582.db2.gz IBYUCRXLEQVZJH-UHFFFAOYSA-N 1 2 237.665 2.706 20 0 BFADLO C[N@H+](CCF)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137380754 986869664 /nfs/dbraw/zinc/86/96/64/986869664.db2.gz VMURQPJHIBTXOR-UHFFFAOYSA-N 1 2 212.312 2.714 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(C(C)(C)C)[nH]1 ZINC001137380754 986869669 /nfs/dbraw/zinc/86/96/69/986869669.db2.gz VMURQPJHIBTXOR-UHFFFAOYSA-N 1 2 212.312 2.714 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(N)cc1Cl ZINC001245507140 986889458 /nfs/dbraw/zinc/88/94/58/986889458.db2.gz AOYBVAICLVNRIT-YALUOGEHSA-N 1 2 208.692 2.798 20 0 BFADLO Cc1cc(-c2ccc3cccnc3n2)c[nH+]c1N ZINC001245536200 986915193 /nfs/dbraw/zinc/91/51/93/986915193.db2.gz MYZIDXQHCAWARA-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CNc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001245540767 986926680 /nfs/dbraw/zinc/92/66/80/986926680.db2.gz VVIXATYCQIJKDV-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO Cc1cc(-c2cnc(C(C)C)nc2)c[nH+]c1N ZINC001245541700 986931081 /nfs/dbraw/zinc/93/10/81/986931081.db2.gz WDVRMYFXQQZGHV-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)CCCC2 ZINC001245597616 986979032 /nfs/dbraw/zinc/97/90/32/986979032.db2.gz NGXTYEWIIGDMQZ-UHFFFAOYSA-N 1 2 240.306 2.996 20 0 BFADLO CC(C)=C(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001472095432 987173729 /nfs/dbraw/zinc/17/37/29/987173729.db2.gz YPXQTNSNONGSFD-UHFFFAOYSA-N 1 2 235.331 2.506 20 0 BFADLO CC(C)=C(C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001472095432 987173738 /nfs/dbraw/zinc/17/37/38/987173738.db2.gz YPXQTNSNONGSFD-UHFFFAOYSA-N 1 2 235.331 2.506 20 0 BFADLO CCC(CC)(CC)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116122039 987450783 /nfs/dbraw/zinc/45/07/83/987450783.db2.gz VWSYMGJVNQWXSB-LLVKDONJSA-N 1 2 237.347 2.529 20 0 BFADLO CC[N@H+](Cc1cncn1C)Cc1ccccc1F ZINC001116217126 987484673 /nfs/dbraw/zinc/48/46/73/987484673.db2.gz LPUMCXYNXWCIJO-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1cncn1C)Cc1ccccc1F ZINC001116217126 987484678 /nfs/dbraw/zinc/48/46/78/987484678.db2.gz LPUMCXYNXWCIJO-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CCN(Cc1c[nH+]cn1C)Cc1ccccc1F ZINC001116217126 987484691 /nfs/dbraw/zinc/48/46/91/987484691.db2.gz LPUMCXYNXWCIJO-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO Nc1[nH+]cccc1CNc1cccc2cc[nH]c21 ZINC001474464330 987730042 /nfs/dbraw/zinc/73/00/42/987730042.db2.gz NAQASKOPJGIGMU-UHFFFAOYSA-N 1 2 238.294 2.757 20 0 BFADLO CC(C)CCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC001474525830 987748036 /nfs/dbraw/zinc/74/80/36/987748036.db2.gz MQNSFWLLXQMDMA-NSHDSACASA-N 1 2 237.334 2.761 20 0 BFADLO CC(C)CCCC[N@H+](CC(F)F)C[C@H](C)O ZINC001474525830 987748039 /nfs/dbraw/zinc/74/80/39/987748039.db2.gz MQNSFWLLXQMDMA-NSHDSACASA-N 1 2 237.334 2.761 20 0 BFADLO CCCC[C@H](CC)c1nnc(C[NH+](C)C)o1 ZINC001117228921 987797081 /nfs/dbraw/zinc/79/70/81/987797081.db2.gz JKHAQOZUZQPKDQ-JTQLQIEISA-N 1 2 225.336 2.815 20 0 BFADLO Cn1ncc(Cl)c1C[N@@H+]1CC(C)(C)C1(C)C ZINC001321635661 987958611 /nfs/dbraw/zinc/95/86/11/987958611.db2.gz CZBLJDGRXXPCNK-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO Cn1ncc(Cl)c1C[N@H+]1CC(C)(C)C1(C)C ZINC001321635661 987958620 /nfs/dbraw/zinc/95/86/20/987958620.db2.gz CZBLJDGRXXPCNK-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO CC(C)OC(=O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC001323792814 988616648 /nfs/dbraw/zinc/61/66/48/988616648.db2.gz UVYSGLLYVSZNGB-OLZOCXBDSA-N 1 2 249.354 2.720 20 0 BFADLO Cc1cc(CNc2cc(C3CC3)cc[nH+]2)n[nH]1 ZINC001323959850 988658615 /nfs/dbraw/zinc/65/86/15/988658615.db2.gz KKQRIMKCAYPFLD-UHFFFAOYSA-N 1 2 228.299 2.603 20 0 BFADLO Nc1cc(N2CCC3(C2)CCCCCC3)[nH+]cn1 ZINC001548506123 988671277 /nfs/dbraw/zinc/67/12/77/988671277.db2.gz DLSDQINRBSZNDL-UHFFFAOYSA-N 1 2 246.358 2.610 20 0 BFADLO Cc1noc(C)c1CN(C)c1cc(F)cc(C)[nH+]1 ZINC001515350574 989032098 /nfs/dbraw/zinc/03/20/98/989032098.db2.gz DXOKBTIFWQQPPZ-UHFFFAOYSA-N 1 2 249.289 2.770 20 0 BFADLO CCC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCC1 ZINC001324992374 989046353 /nfs/dbraw/zinc/04/63/53/989046353.db2.gz GRDXFJCNRCSIDZ-YPMHNXCESA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)([NH2+]Cc1cccn1C1CC1)C(F)F ZINC001325127410 989095123 /nfs/dbraw/zinc/09/51/23/989095123.db2.gz FSWUUMGWBXZYQT-UHFFFAOYSA-N 1 2 228.286 2.956 20 0 BFADLO Cc1ccc2[nH]c(C[NH+]3CC4(CCC4)C3)nc2c1 ZINC001248840173 989193031 /nfs/dbraw/zinc/19/30/31/989193031.db2.gz MDMGTWOXVFNCHV-UHFFFAOYSA-N 1 2 241.338 2.857 20 0 BFADLO Cc1cc(C)nc(C[N@H+](C)Cc2ccccc2)n1 ZINC001248932835 989221885 /nfs/dbraw/zinc/22/18/85/989221885.db2.gz KBWDCUMFEIILMS-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cc(C)nc(C[N@@H+](C)Cc2ccccc2)n1 ZINC001248932835 989221896 /nfs/dbraw/zinc/22/18/96/989221896.db2.gz KBWDCUMFEIILMS-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CC1C[NH+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249263695 989269022 /nfs/dbraw/zinc/26/90/22/989269022.db2.gz SHQDDAOKCQIMNP-UHFFFAOYSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1coc(Nc2cc[nH+]cc2C(F)(F)F)n1 ZINC001249584221 989316217 /nfs/dbraw/zinc/31/62/17/989316217.db2.gz RNDHRJKWNXGNKD-UHFFFAOYSA-N 1 2 243.188 2.562 20 0 BFADLO Cc1ncccc1CSCCn1cc[nH+]c1 ZINC001325951999 989317024 /nfs/dbraw/zinc/31/70/24/989317024.db2.gz SBCSMGJQHPQFEH-UHFFFAOYSA-N 1 2 233.340 2.520 20 0 BFADLO C[NH+](C)Cc1nnc([C@@H]2CCCCC2(C)C)o1 ZINC001326107331 989377184 /nfs/dbraw/zinc/37/71/84/989377184.db2.gz QZEBIRVGZPCZRA-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ncccn1)c1cccc(O)c1 ZINC001119851606 989444699 /nfs/dbraw/zinc/44/46/99/989444699.db2.gz NGUQGBIWAYLZRH-GHMZBOCLSA-N 1 2 243.310 2.594 20 0 BFADLO CC(C)=C[C@H]1[C@@H](c2nnc(C[NH+](C)C)o2)C1(C)C ZINC001326292072 989470406 /nfs/dbraw/zinc/47/04/06/989470406.db2.gz FQOMPHVQTYEQLQ-JQWIXIFHSA-N 1 2 249.358 2.837 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC001120038303 989570403 /nfs/dbraw/zinc/57/04/03/989570403.db2.gz PTLQYBDIVUUCQE-JQWIXIFHSA-N 1 2 241.306 2.858 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC001120038303 989570409 /nfs/dbraw/zinc/57/04/09/989570409.db2.gz PTLQYBDIVUUCQE-JQWIXIFHSA-N 1 2 241.306 2.858 20 0 BFADLO COCc1cc[nH+]c(NCCC(C)C)c1 ZINC001326790954 989713921 /nfs/dbraw/zinc/71/39/21/989713921.db2.gz MMIJUQMHBMYMOV-UHFFFAOYSA-N 1 2 208.305 2.686 20 0 BFADLO Cc1cc(C[C@H](C)Nc2cc(F)cc(C)[nH+]2)n[nH]1 ZINC001120829202 989908175 /nfs/dbraw/zinc/90/81/75/989908175.db2.gz YANHGRYXNIFHGY-VIFPVBQESA-N 1 2 248.305 2.604 20 0 BFADLO Cc1cc(C[C@H](C)Nc2cc(F)cc(C)[nH+]2)[nH]n1 ZINC001120829202 989908184 /nfs/dbraw/zinc/90/81/84/989908184.db2.gz YANHGRYXNIFHGY-VIFPVBQESA-N 1 2 248.305 2.604 20 0 BFADLO CCc1nocc1CN(C)c1ccc(CC)c[nH+]1 ZINC001120851139 989923459 /nfs/dbraw/zinc/92/34/59/989923459.db2.gz PBOYUIDKQHTIGE-UHFFFAOYSA-N 1 2 245.326 2.831 20 0 BFADLO CCc1ccc(N2CCC[C@@](CC)(CO)C2)[nH+]c1 ZINC001120920835 989965038 /nfs/dbraw/zinc/96/50/38/989965038.db2.gz MOQVZBGOSBCLDE-OAHLLOKOSA-N 1 2 248.370 2.633 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001527999851 990258112 /nfs/dbraw/zinc/25/81/12/990258112.db2.gz LXTKAOHWZRKKFO-CSKARUKUSA-N 1 2 229.283 2.629 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccccc1Cl ZINC001538807310 990545611 /nfs/dbraw/zinc/54/56/11/990545611.db2.gz IQWWKFDUANEAAR-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO CCc1cccc(C)c1NC(=O)[C@H]1CC[N@H+]1CC ZINC001542189258 990660022 /nfs/dbraw/zinc/66/00/22/990660022.db2.gz OLYYTDDFRUKSJI-CYBMUJFWSA-N 1 2 246.354 2.590 20 0 BFADLO CCc1cccc(C)c1NC(=O)[C@H]1CC[N@@H+]1CC ZINC001542189258 990660026 /nfs/dbraw/zinc/66/00/26/990660026.db2.gz OLYYTDDFRUKSJI-CYBMUJFWSA-N 1 2 246.354 2.590 20 0 BFADLO CC/C=C(/F)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001542567883 990666682 /nfs/dbraw/zinc/66/66/82/990666682.db2.gz GEIXPRGGOBMNPO-NYYWCZLTSA-N 1 2 247.273 2.845 20 0 BFADLO Fc1ccc(C[N@H+](Cc2ccco2)C2CC2)cn1 ZINC001137743019 990846736 /nfs/dbraw/zinc/84/67/36/990846736.db2.gz VRUHNNIJMSLFCD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cn1 ZINC001137743019 990846738 /nfs/dbraw/zinc/84/67/38/990846738.db2.gz VRUHNNIJMSLFCD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO C[NH+](C)Cc1c(F)ccc(Cl)c1F ZINC001137876334 990864148 /nfs/dbraw/zinc/86/41/48/990864148.db2.gz IZNQZYXJMBNZEP-UHFFFAOYSA-N 1 2 205.635 2.680 20 0 BFADLO CCOc1cccc(C[NH+]2CC(OC(C)C)C2)c1 ZINC001138102501 990881781 /nfs/dbraw/zinc/88/17/81/990881781.db2.gz OZZRSTGUXJWFBA-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001258068399 990959199 /nfs/dbraw/zinc/95/91/99/990959199.db2.gz FAWZYDANUZNUDN-NWDGAFQWSA-N 1 2 211.349 2.722 20 0 BFADLO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001258068399 990959216 /nfs/dbraw/zinc/95/92/16/990959216.db2.gz FAWZYDANUZNUDN-NWDGAFQWSA-N 1 2 211.349 2.722 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001138373029 990923683 /nfs/dbraw/zinc/92/36/83/990923683.db2.gz BEIXGSWBZBCMHG-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001138373029 990923687 /nfs/dbraw/zinc/92/36/87/990923687.db2.gz BEIXGSWBZBCMHG-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO COC1(C)C[NH+](Cc2[nH]c3ccccc3c2C)C1 ZINC001138396452 990935764 /nfs/dbraw/zinc/93/57/64/990935764.db2.gz AJJNETQCWKSLST-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO CCC=C(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558559858 990968006 /nfs/dbraw/zinc/96/80/06/990968006.db2.gz DFBONPADMHPRAK-UXBLZVDNSA-N 1 2 235.331 2.506 20 0 BFADLO CC/C=C(\C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558559858 990968019 /nfs/dbraw/zinc/96/80/19/990968019.db2.gz DFBONPADMHPRAK-UXBLZVDNSA-N 1 2 235.331 2.506 20 0 BFADLO CCCn1ncc(C[N@@H+]2CCC[C@@H](F)C2)c1C ZINC001138638375 990991400 /nfs/dbraw/zinc/99/14/00/990991400.db2.gz PYXQETWFZBHFJH-CYBMUJFWSA-N 1 2 239.338 2.535 20 0 BFADLO CCCn1ncc(C[N@H+]2CCC[C@@H](F)C2)c1C ZINC001138638375 990991410 /nfs/dbraw/zinc/99/14/10/990991410.db2.gz PYXQETWFZBHFJH-CYBMUJFWSA-N 1 2 239.338 2.535 20 0 BFADLO Cc1ccc2[nH+]c(NCc3cncs3)[nH]c2c1 ZINC001308501669 991011196 /nfs/dbraw/zinc/01/11/96/991011196.db2.gz QBNNGIWJUYBLBQ-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO CCCCc1ccc(C[NH+]2CC(C)(O)C2)s1 ZINC001138753017 991033227 /nfs/dbraw/zinc/03/32/27/991033227.db2.gz DGSAKNBMSZIVSK-UHFFFAOYSA-N 1 2 239.384 2.657 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001138816046 991069676 /nfs/dbraw/zinc/06/96/76/991069676.db2.gz HLOUOVWFSRKMMF-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001138816046 991069693 /nfs/dbraw/zinc/06/96/93/991069693.db2.gz HLOUOVWFSRKMMF-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO CCCOc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC001138995640 991117609 /nfs/dbraw/zinc/11/76/09/991117609.db2.gz RUXCSTUDYZALIW-CYBMUJFWSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC001138995640 991117616 /nfs/dbraw/zinc/11/76/16/991117616.db2.gz RUXCSTUDYZALIW-CYBMUJFWSA-N 1 2 249.354 2.696 20 0 BFADLO COCC[N@H+](C)Cc1c(F)cc(Cl)cc1F ZINC001139047616 991132955 /nfs/dbraw/zinc/13/29/55/991132955.db2.gz NVSIUHVSZYEFIB-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COCC[N@@H+](C)Cc1c(F)cc(Cl)cc1F ZINC001139047616 991132962 /nfs/dbraw/zinc/13/29/62/991132962.db2.gz NVSIUHVSZYEFIB-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COc1cc(CNc2cccc[nH+]2)ccc1F ZINC000083358666 991210691 /nfs/dbraw/zinc/21/06/91/991210691.db2.gz PZZIDKJUGPJKSL-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CC1(C)CCC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258283678 991215726 /nfs/dbraw/zinc/21/57/26/991215726.db2.gz OMSPAHVZKBOJBN-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO CC1(C)CCC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258283678 991215737 /nfs/dbraw/zinc/21/57/37/991215737.db2.gz OMSPAHVZKBOJBN-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO CC(C)CCc1nnc([C@@H]2CC[N@@H+]2C(C)C)o1 ZINC001258315176 991240905 /nfs/dbraw/zinc/24/09/05/991240905.db2.gz FLXCBELOZZKSCK-NSHDSACASA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)CCc1nnc([C@@H]2CC[N@H+]2C(C)C)o1 ZINC001258315176 991240913 /nfs/dbraw/zinc/24/09/13/991240913.db2.gz FLXCBELOZZKSCK-NSHDSACASA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cc(C)c(NC(=O)NOC2CCC2)c(C)[nH+]1 ZINC001310835439 991313236 /nfs/dbraw/zinc/31/32/36/991313236.db2.gz VUMABNKDBVYNEA-UHFFFAOYSA-N 1 2 249.314 2.612 20 0 BFADLO Cc1cnc(C[N@@H+]2CCCC[C@@H](F)C2)s1 ZINC001139808789 991375398 /nfs/dbraw/zinc/37/53/98/991375398.db2.gz GOULFHRLNYOUHF-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cnc(C[N@H+]2CCCC[C@@H](F)C2)s1 ZINC001139808789 991375406 /nfs/dbraw/zinc/37/54/06/991375406.db2.gz GOULFHRLNYOUHF-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO CCc1nc(C[N@@H+]2CC=CC23CCCCC3)no1 ZINC001560236160 991436586 /nfs/dbraw/zinc/43/65/86/991436586.db2.gz GPKHAWKTVZXBDL-UHFFFAOYSA-N 1 2 247.342 2.707 20 0 BFADLO CCc1nc(C[N@H+]2CC=CC23CCCCC3)no1 ZINC001560236160 991436592 /nfs/dbraw/zinc/43/65/92/991436592.db2.gz GPKHAWKTVZXBDL-UHFFFAOYSA-N 1 2 247.342 2.707 20 0 BFADLO Cc1cccc(CNc2cc(CO)cc[nH+]2)c1F ZINC001560511021 991491269 /nfs/dbraw/zinc/49/12/69/991491269.db2.gz VIHZKULQFUJLAN-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)c(F)c1 ZINC001560511117 991491745 /nfs/dbraw/zinc/49/17/45/991491745.db2.gz ZLYRWZVNIOHYNA-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Oc1ccc(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC001140088093 991522550 /nfs/dbraw/zinc/52/25/50/991522550.db2.gz YWGBBHSJTAVAII-UHFFFAOYSA-N 1 2 247.672 2.743 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccc(O)cc2F)C1 ZINC001140124510 991527092 /nfs/dbraw/zinc/52/70/92/991527092.db2.gz NFMJIABMCUVBNZ-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(O)cc2F)C1 ZINC001140124510 991527102 /nfs/dbraw/zinc/52/71/02/991527102.db2.gz NFMJIABMCUVBNZ-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)c(C)cc1O ZINC001140201246 991565172 /nfs/dbraw/zinc/56/51/72/991565172.db2.gz INRJZDAEQMGBSK-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)c(C)cc1O ZINC001140201246 991565184 /nfs/dbraw/zinc/56/51/84/991565184.db2.gz INRJZDAEQMGBSK-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO COCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001140560172 991670675 /nfs/dbraw/zinc/67/06/75/991670675.db2.gz OZPJCZOOHGOWIO-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO COC1(C(F)(F)F)C[NH+](C[C@@H]2CC=CCC2)C1 ZINC001561024095 991690725 /nfs/dbraw/zinc/69/07/25/991690725.db2.gz JASXRRCXFLTXQU-SNVBAGLBSA-N 1 2 249.276 2.606 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318706675 991701377 /nfs/dbraw/zinc/70/13/77/991701377.db2.gz AFSAYRWLHHHCDR-OLZOCXBDSA-N 1 2 249.358 2.625 20 0 BFADLO FC1(F)CC12CC(Nc1cccc[nH+]1)C2 ZINC001261658749 992449396 /nfs/dbraw/zinc/44/93/96/992449396.db2.gz PIJFOPGQTWZNCS-UHFFFAOYSA-N 1 2 210.227 2.681 20 0 BFADLO CCC[C@H]1CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001262688923 993031293 /nfs/dbraw/zinc/03/12/93/993031293.db2.gz IKQVWANDLUVAAP-LBPRGKRZSA-N 1 2 238.306 2.534 20 0 BFADLO CCc1ccc(N2CCC[C@H]2[C@H]2CCCO2)[nH+]c1 ZINC001262695723 993035175 /nfs/dbraw/zinc/03/51/75/993035175.db2.gz KLKPCDMDWWOMFX-UONOGXRCSA-N 1 2 246.354 2.792 20 0 BFADLO CCc1ccc(N2C[C@@H]3CCC[C@@H]3C2)[nH+]c1 ZINC001262709014 993050864 /nfs/dbraw/zinc/05/08/64/993050864.db2.gz VUVIAMCKEJXSOS-BETUJISGSA-N 1 2 216.328 2.880 20 0 BFADLO Cc1cccnc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC001262711917 993053528 /nfs/dbraw/zinc/05/35/28/993053528.db2.gz NFDSYEGEMYMIJK-JTQLQIEISA-N 1 2 228.299 2.662 20 0 BFADLO Cc1cc(NCCC2CSC2)nc(C2CC2)[nH+]1 ZINC001262717795 993054192 /nfs/dbraw/zinc/05/41/92/993054192.db2.gz XEKXOAMHJCLUGN-UHFFFAOYSA-N 1 2 249.383 2.827 20 0 BFADLO C[C@@H](CC(=O)OC(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001263523226 993360632 /nfs/dbraw/zinc/36/06/32/993360632.db2.gz IZLQAVKJKTWFHY-JTQLQIEISA-N 1 2 248.326 2.566 20 0 BFADLO C[C@H](CC(=O)OC(C1CC1)C1CC1)n1cc[nH+]c1 ZINC001263523227 993362003 /nfs/dbraw/zinc/36/20/03/993362003.db2.gz IZLQAVKJKTWFHY-SNVBAGLBSA-N 1 2 248.326 2.566 20 0 BFADLO CC[C@@H]1CCCC[C@H]1CN1CCCC[NH2+]1 ZINC001577250549 993553805 /nfs/dbraw/zinc/55/38/05/993553805.db2.gz OLGJLCYJVAPGSE-OLZOCXBDSA-N 1 2 210.365 2.803 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@@H](C)O[C@H]2C)c(C)[nH+]1 ZINC000384551918 993601149 /nfs/dbraw/zinc/60/11/49/993601149.db2.gz GIZINZUGUPRNLH-SUZMYJTESA-N 1 2 220.316 2.676 20 0 BFADLO Cc1cc(C)c(C(=O)NC/C=C\C2CC2)c(C)[nH+]1 ZINC001332575325 994238112 /nfs/dbraw/zinc/23/81/12/994238112.db2.gz HXZXRVWVJKNKRJ-PLNGDYQASA-N 1 2 244.338 2.703 20 0 BFADLO Cc1cc(NC[C@H]2CCOC2)nc(C2CCC2)[nH+]1 ZINC001335415717 994766784 /nfs/dbraw/zinc/76/67/84/994766784.db2.gz DGCGBHDXHGYRQH-LLVKDONJSA-N 1 2 247.342 2.501 20 0 BFADLO Cc1cc(F)cc(N2CC(C)(C)OC[C@@H]2C)[nH+]1 ZINC001337142045 995138473 /nfs/dbraw/zinc/13/84/73/995138473.db2.gz JKZYDPFYTIAOHQ-JTQLQIEISA-N 1 2 238.306 2.533 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)CC1=NOCC1 ZINC001307417363 995352744 /nfs/dbraw/zinc/35/27/44/995352744.db2.gz AZQRSRRDLDMXQG-JTQLQIEISA-N 1 2 236.290 2.595 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)CC1=NOCC1 ZINC001307417363 995352751 /nfs/dbraw/zinc/35/27/51/995352751.db2.gz AZQRSRRDLDMXQG-JTQLQIEISA-N 1 2 236.290 2.595 20 0 BFADLO CCC[C@H](C)CCC[N@@H+]1CC(F)(F)C[C@@H]1CO ZINC001307685342 995434354 /nfs/dbraw/zinc/43/43/54/995434354.db2.gz FALRKCGPPKZPOF-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@H](C)CCC[N@H+]1CC(F)(F)C[C@@H]1CO ZINC001307685342 995434359 /nfs/dbraw/zinc/43/43/59/995434359.db2.gz FALRKCGPPKZPOF-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO CCc1ccc(CC[N@@H+]2CCCC(=O)[C@H]2C)cc1 ZINC001308130415 995558008 /nfs/dbraw/zinc/55/80/08/995558008.db2.gz PZPJGAYHOZWYKM-CYBMUJFWSA-N 1 2 245.366 2.845 20 0 BFADLO CCc1ccc(CC[N@H+]2CCCC(=O)[C@H]2C)cc1 ZINC001308130415 995558015 /nfs/dbraw/zinc/55/80/15/995558015.db2.gz PZPJGAYHOZWYKM-CYBMUJFWSA-N 1 2 245.366 2.845 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1nccc(C)n1 ZINC000336705910 187320897 /nfs/dbraw/zinc/32/08/97/187320897.db2.gz ODEOODCIOOQVMF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1nccc(C)n1 ZINC000336705910 187320899 /nfs/dbraw/zinc/32/08/99/187320899.db2.gz ODEOODCIOOQVMF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2CC(C)C)nc[nH+]1 ZINC000395421898 262787614 /nfs/dbraw/zinc/78/76/14/262787614.db2.gz ZJINHIJMXXLCDJ-GHMZBOCLSA-N 1 2 205.305 2.632 20 0 BFADLO CCC(CC)(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284231366 168314736 /nfs/dbraw/zinc/31/47/36/168314736.db2.gz BNTNOCORAIKMFO-BQYQJAHWSA-N 1 2 249.358 2.756 20 0 BFADLO COc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)[nH+]c1 ZINC000389848794 398140565 /nfs/dbraw/zinc/14/05/65/398140565.db2.gz RQUXFTVPGNGEGZ-ATZCPNFKSA-N 1 2 206.289 2.547 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1ccccc1C ZINC000070945358 398142389 /nfs/dbraw/zinc/14/23/89/398142389.db2.gz AXGSHXYWUDTWQS-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO COC[C@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378726298 346815893 /nfs/dbraw/zinc/81/58/93/346815893.db2.gz UDZGQWSRTKVDSP-NSHDSACASA-N 1 2 229.270 2.619 20 0 BFADLO Cc1cnc(C[N@H+](Cc2cccnc2)C(C)C)o1 ZINC000162372553 136214771 /nfs/dbraw/zinc/21/47/71/136214771.db2.gz UAPOJSRRYILYFM-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2cccnc2)C(C)C)o1 ZINC000162372553 136214772 /nfs/dbraw/zinc/21/47/72/136214772.db2.gz UAPOJSRRYILYFM-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO C[C@H]([NH2+]C/C=C/c1ccccc1)C(F)F ZINC000389932551 398150956 /nfs/dbraw/zinc/15/09/56/398150956.db2.gz JPWIKTARRDLKCD-YVFTVSHDSA-N 1 2 211.255 2.943 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)nn1C ZINC000336714097 178008718 /nfs/dbraw/zinc/00/87/18/178008718.db2.gz QGHYGCTUPOSRQJ-LBPRGKRZSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)nn1C ZINC000336714097 178008721 /nfs/dbraw/zinc/00/87/21/178008721.db2.gz QGHYGCTUPOSRQJ-LBPRGKRZSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)no1 ZINC000179696544 178019597 /nfs/dbraw/zinc/01/95/97/178019597.db2.gz KFZHJBARNCJHQT-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(Cl)cc2)no1 ZINC000044293695 178026289 /nfs/dbraw/zinc/02/62/89/178026289.db2.gz BINUMPDAVGDKKV-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)on1 ZINC000044985514 178026974 /nfs/dbraw/zinc/02/69/74/178026974.db2.gz YYMVHWMXYZOHKS-RNCFNFMXSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)ncn2)o1 ZINC000271431574 178030763 /nfs/dbraw/zinc/03/07/63/178030763.db2.gz DFFULEBXLDCGHB-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO c1nc(CNc2ccc([NH+]3CCCC3)cc2)co1 ZINC000276985089 398172508 /nfs/dbraw/zinc/17/25/08/398172508.db2.gz HPZBJBSOXDELGE-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO Cc1cc(CSc2[nH+]cc3ccccn32)on1 ZINC000302844643 178053776 /nfs/dbraw/zinc/05/37/76/178053776.db2.gz GGUOVYRZFFKUPI-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CCCC(C)(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000649883229 398162006 /nfs/dbraw/zinc/16/20/06/398162006.db2.gz NQJOVYXBXAFKJF-UHFFFAOYSA-N 1 2 234.343 2.885 20 0 BFADLO CC(F)(F)C[NH2+]C/C=C\c1ccccc1 ZINC000378736494 346818127 /nfs/dbraw/zinc/81/81/27/346818127.db2.gz GRGXDASJAXEHNW-YVMONPNESA-N 1 2 211.255 2.945 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCC2)cc[nH+]1 ZINC000649882831 398164882 /nfs/dbraw/zinc/16/48/82/398164882.db2.gz DGPNCLMLECJXRX-KGLIPLIRSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1cc(F)cc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294044930 178079588 /nfs/dbraw/zinc/07/95/88/178079588.db2.gz IYEHIMSZNKKHBD-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc(F)ccc1-c1cccc(N)[nH+]1 ZINC000038069063 178081017 /nfs/dbraw/zinc/08/10/17/178081017.db2.gz RFWLUBUKHBNIOC-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO Cc1cc(F)ccc1C[N@H+](C)Cc1ccon1 ZINC000271173918 178085134 /nfs/dbraw/zinc/08/51/34/178085134.db2.gz FKLJACSHZQABHH-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccon1 ZINC000271173918 178085136 /nfs/dbraw/zinc/08/51/36/178085136.db2.gz FKLJACSHZQABHH-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCc1csnn1 ZINC000057668015 178094938 /nfs/dbraw/zinc/09/49/38/178094938.db2.gz CADUYUDIKRJYBL-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCOC[C@H]1C ZINC000280231971 178095251 /nfs/dbraw/zinc/09/52/51/178095251.db2.gz KKTLITQOEOCNBJ-IUODEOHRSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCOC[C@H]1C ZINC000280231971 178095252 /nfs/dbraw/zinc/09/52/52/178095252.db2.gz KKTLITQOEOCNBJ-IUODEOHRSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)CCc2cccs2)nc[nH+]1 ZINC000301472499 178099161 /nfs/dbraw/zinc/09/91/61/178099161.db2.gz QEFDFXCQWAMGKV-UHFFFAOYSA-N 1 2 233.340 2.525 20 0 BFADLO Cc1cc(N(C)[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000301292326 178100382 /nfs/dbraw/zinc/10/03/82/178100382.db2.gz ULJONQQZOWTNAS-JQWIXIFHSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@]3(C)C[C@@H]3F)cc2[nH+]1 ZINC000424568554 398195135 /nfs/dbraw/zinc/19/51/35/398195135.db2.gz RRYOFAVKKUIADB-AAEUAGOBSA-N 1 2 247.273 2.558 20 0 BFADLO Cc1cc(N)nc(S[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000272437245 178108814 /nfs/dbraw/zinc/10/88/14/178108814.db2.gz RYVQZHZFEGIUIW-VXNVDRBHSA-N 1 2 223.345 2.648 20 0 BFADLO Cc1cc(N)nc(SCCC(C)(C)C)[nH+]1 ZINC000148604096 178109347 /nfs/dbraw/zinc/10/93/47/178109347.db2.gz WMTLXTUEVQIZKY-UHFFFAOYSA-N 1 2 225.361 2.896 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000338817791 178112353 /nfs/dbraw/zinc/11/23/53/178112353.db2.gz VEDJYNTWJNFSPD-NWDGAFQWSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2CC[C@H](C(F)(F)F)[C@H]2C)nc[nH+]1 ZINC000336539073 178119112 /nfs/dbraw/zinc/11/91/12/178119112.db2.gz MFPXZURHDWYQJL-BDAKNGLRSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000354352585 178120599 /nfs/dbraw/zinc/12/05/99/178120599.db2.gz ILLOYQAKTSOEGX-MWLCHTKSSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2C[C@H](C)CCC[C@H]2C)nc[nH+]1 ZINC000301412422 178121445 /nfs/dbraw/zinc/12/14/45/178121445.db2.gz KVHJSHXWFDDEFJ-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N2CCc3c2cccc3F)nc(C)[nH+]1 ZINC000302544796 178121549 /nfs/dbraw/zinc/12/15/49/178121549.db2.gz OTGCWUQVVFENJR-UHFFFAOYSA-N 1 2 243.285 2.927 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000302162841 178121881 /nfs/dbraw/zinc/12/18/81/178121881.db2.gz KEGHNPHZHOMQLV-DRZSPHRISA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000268229369 178122138 /nfs/dbraw/zinc/12/21/38/178122138.db2.gz LFKOJHNYHPECSG-BETUJISGSA-N 1 2 243.354 2.899 20 0 BFADLO Cc1cc(NC(=O)C2(C)CCC2)cc[nH+]1 ZINC000267342242 178125357 /nfs/dbraw/zinc/12/53/57/178125357.db2.gz CZJOAKQOCRFZQU-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO CC(C)([NH2+]Cc1cncs1)c1nccs1 ZINC000124287080 187327630 /nfs/dbraw/zinc/32/76/30/187327630.db2.gz FBXITDMLADHOLA-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC000162948878 538925992 /nfs/dbraw/zinc/92/59/92/538925992.db2.gz ZIVKWEPIGKZQAI-KOLCDFICSA-N 1 2 208.305 2.534 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1F ZINC000094955369 398207083 /nfs/dbraw/zinc/20/70/83/398207083.db2.gz LAXMVOITCHCCLO-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO CCc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000576285201 365552735 /nfs/dbraw/zinc/55/27/35/365552735.db2.gz ZDZUZCFYRYODFK-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO Cc1cc(NC(=O)N(C)CC2CCC2)cc[nH+]1 ZINC000119226387 178135180 /nfs/dbraw/zinc/13/51/80/178135180.db2.gz KYSOWGMXVODKIC-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000119953094 178136956 /nfs/dbraw/zinc/13/69/56/178136956.db2.gz HMNPYAHMOTUJEC-GHMZBOCLSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N2CCC[C@H](C)C2)cc[nH+]1 ZINC000119305969 178137292 /nfs/dbraw/zinc/13/72/92/178137292.db2.gz JLNCPDMYVLQPGA-JTQLQIEISA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CC=CCC2)cc[nH+]1 ZINC000179832133 178142223 /nfs/dbraw/zinc/14/22/23/178142223.db2.gz WRRZPGNQWJRTCN-NSHDSACASA-N 1 2 231.299 2.620 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C(C)(F)F)cc[nH+]1 ZINC000293563519 178147041 /nfs/dbraw/zinc/14/70/41/178147041.db2.gz DAFAAEVGVMIPQF-QMMMGPOBSA-N 1 2 228.242 2.620 20 0 BFADLO Cc1cc(NC(=O)c2cc[nH]c2C2CC2)cc[nH+]1 ZINC000283935311 178149718 /nfs/dbraw/zinc/14/97/18/178149718.db2.gz KLCVKQJOBYNIEI-UHFFFAOYSA-N 1 2 241.294 2.848 20 0 BFADLO Cc1cc(NC(=O)c2ccc(F)cc2)cc[nH+]1 ZINC000010163035 178150751 /nfs/dbraw/zinc/15/07/51/178150751.db2.gz SURDCJNSPKPFNB-UHFFFAOYSA-N 1 2 230.242 2.781 20 0 BFADLO CCC(CC)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375900034 168343876 /nfs/dbraw/zinc/34/38/76/168343876.db2.gz FHDKMLXMRPKASL-GFCCVEGCSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1cc(NC2CC(C(F)(F)F)C2)nc[nH+]1 ZINC000335602282 178153621 /nfs/dbraw/zinc/15/36/21/178153621.db2.gz DEUYCJXZYAETQA-UHFFFAOYSA-N 1 2 231.221 2.538 20 0 BFADLO Cc1cc(NCCOC2CCCCC2)nc[nH+]1 ZINC000111639540 178162084 /nfs/dbraw/zinc/16/20/84/178162084.db2.gz LWXBXQZRLGWGDV-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1cc(NCCc2cc(F)ccc2F)nc[nH+]1 ZINC000301476505 178163462 /nfs/dbraw/zinc/16/34/62/178163462.db2.gz OPEVABRDFNLYFG-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1cc(NC[C@@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000279326434 178167175 /nfs/dbraw/zinc/16/71/75/178167175.db2.gz CVUOAGXGVSOJHG-JTQLQIEISA-N 1 2 249.383 2.827 20 0 BFADLO Cc1cc(NC[C@H](C)Oc2ccccc2)nc[nH+]1 ZINC000301292050 178168280 /nfs/dbraw/zinc/16/82/80/178168280.db2.gz QLQVOCMNXNTCSI-LBPRGKRZSA-N 1 2 243.310 2.664 20 0 BFADLO Cc1cc(NC[C@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000279326438 178169856 /nfs/dbraw/zinc/16/98/56/178169856.db2.gz CVUOAGXGVSOJHG-SNVBAGLBSA-N 1 2 249.383 2.827 20 0 BFADLO Cc1cc(NCc2c(F)cccc2F)nc[nH+]1 ZINC000301695572 178172035 /nfs/dbraw/zinc/17/20/35/178172035.db2.gz ZSCBRPLFOJMCET-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1cc(NCc2ccccc2C)nc[nH+]1 ZINC000040727271 178173231 /nfs/dbraw/zinc/17/32/31/178173231.db2.gz KPPHHMZFKGOOJX-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CC[C@](C)(CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649422811 398221974 /nfs/dbraw/zinc/22/19/74/398221974.db2.gz QGTCPBBGJAEBDG-CYBMUJFWSA-N 1 2 233.315 2.790 20 0 BFADLO Cc1cc(NCc2cocn2)ccc1[NH+](C)C ZINC000192328915 178176408 /nfs/dbraw/zinc/17/64/08/178176408.db2.gz MRSVPGICGRTOIG-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1cc(N[C@@H](C)Cc2ccccc2F)nc[nH+]1 ZINC000301225090 178178594 /nfs/dbraw/zinc/17/85/94/178178594.db2.gz DBMJYLYRKMRCTG-NSHDSACASA-N 1 2 245.301 2.967 20 0 BFADLO Cc1cc(N[C@@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000112555016 178178619 /nfs/dbraw/zinc/17/86/19/178178619.db2.gz FTKXFRJJOROZHN-JTQLQIEISA-N 1 2 229.283 2.664 20 0 BFADLO Cc1cc(N[C@@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000302053185 178180175 /nfs/dbraw/zinc/18/01/75/178180175.db2.gz PGVONRKMDCRZNH-SNVBAGLBSA-N 1 2 235.331 2.543 20 0 BFADLO Cc1csc([C@H](C)Nc2cc(C)[nH+]cn2)n1 ZINC000070650797 178180998 /nfs/dbraw/zinc/18/09/98/178180998.db2.gz IBTWCIQCOHOAES-VIFPVBQESA-N 1 2 234.328 2.723 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)ccc1[NH+](C)C ZINC000195083306 178183270 /nfs/dbraw/zinc/18/32/70/178183270.db2.gz AXFOMDXKOUDZTL-TZMCWYRMSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc([NH2+][C@@H]2CCOC[C@H]2C)ccc1N(C)C ZINC000195083306 178183274 /nfs/dbraw/zinc/18/32/74/178183274.db2.gz AXFOMDXKOUDZTL-TZMCWYRMSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)nc[nH+]1 ZINC000361626642 178184312 /nfs/dbraw/zinc/18/43/12/178184312.db2.gz JTQLNXAEXIHHMT-NEPJUHHUSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1cc(N[C@H](C)CC(C)(C)O)nc(C2CC2)[nH+]1 ZINC000294992884 178184321 /nfs/dbraw/zinc/18/43/21/178184321.db2.gz NIDHQYMHTWGYMD-SNVBAGLBSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1csc([C@@H](C)Nc2cc(C)[nH+]cn2)n1 ZINC000070650798 178186797 /nfs/dbraw/zinc/18/67/97/178186797.db2.gz IBTWCIQCOHOAES-SECBINFHSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1cc(Nc2cccc(O)c2)nc(C)[nH+]1 ZINC000011731200 178192898 /nfs/dbraw/zinc/19/28/98/178192898.db2.gz ZYOSZNFSBCBBGX-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCC(CC)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000341499433 168354440 /nfs/dbraw/zinc/35/44/40/168354440.db2.gz LSUXTVQWTMEAHP-UHFFFAOYSA-N 1 2 233.359 2.932 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C(C)C)C1 ZINC000566487076 323001555 /nfs/dbraw/zinc/00/15/55/323001555.db2.gz TZQNWNZFNNBCTI-LBPRGKRZSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cscn2)on1 ZINC000336509207 178240179 /nfs/dbraw/zinc/24/01/79/178240179.db2.gz KIQPSSZPFBPBQL-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cscn2)on1 ZINC000336509207 178240183 /nfs/dbraw/zinc/24/01/83/178240183.db2.gz KIQPSSZPFBPBQL-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccn2)no1 ZINC000371557718 178240478 /nfs/dbraw/zinc/24/04/78/178240478.db2.gz GNCAYSFFVZUSGB-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccn2)no1 ZINC000371557718 178240481 /nfs/dbraw/zinc/24/04/81/178240481.db2.gz GNCAYSFFVZUSGB-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO CCn1nccc1-c1ccc2c(c1)[nH+]c(C)n2C ZINC000649432456 398236737 /nfs/dbraw/zinc/23/67/37/398236737.db2.gz JTGITXZMIRYXPY-UHFFFAOYSA-N 1 2 240.310 2.765 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2F)no1 ZINC000340524870 178257595 /nfs/dbraw/zinc/25/75/95/178257595.db2.gz CHMUTAISDZYWFH-GUBZILKMSA-N 1 2 212.268 2.524 20 0 BFADLO Cc1cc(N[C@@H]2CCC2(C)C)nc(C(C)C)[nH+]1 ZINC000336714584 398241281 /nfs/dbraw/zinc/24/12/81/398241281.db2.gz SAGFIUZRKJUOPF-LLVKDONJSA-N 1 2 233.359 2.931 20 0 BFADLO Cc1[nH]c(CNc2cc(F)ccc2F)[nH+]c1C ZINC000576479381 365608201 /nfs/dbraw/zinc/60/82/01/365608201.db2.gz FGGVTPFIXCTYJW-UHFFFAOYSA-N 1 2 237.253 2.917 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC1(CO)CC1 ZINC000211634893 178299469 /nfs/dbraw/zinc/29/94/69/178299469.db2.gz ZOWTVEIYHVDUKM-UHFFFAOYSA-N 1 2 242.322 2.728 20 0 BFADLO Cc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286206818 538943472 /nfs/dbraw/zinc/94/34/72/538943472.db2.gz ROVPYTUMFSTEQL-SNVBAGLBSA-N 1 2 201.273 2.891 20 0 BFADLO CCC[C@@H](CNc1ccc(C)[nH+]c1C)OC ZINC000386629927 398265605 /nfs/dbraw/zinc/26/56/05/398265605.db2.gz ZVSDUHHRHRHMEV-LBPRGKRZSA-N 1 2 222.332 2.925 20 0 BFADLO CCc1nc(C[N@@H+]2CCS[C@H](C)C2)cs1 ZINC000171692546 346834176 /nfs/dbraw/zinc/83/41/76/346834176.db2.gz WJYCGYZDELUGAZ-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CCc1nc(C[N@H+]2CCS[C@H](C)C2)cs1 ZINC000171692546 346834179 /nfs/dbraw/zinc/83/41/79/346834179.db2.gz WJYCGYZDELUGAZ-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO C[C@H](CCO)[N@@H+](Cc1ccccc1)CC(F)F ZINC000180981483 538959683 /nfs/dbraw/zinc/95/96/83/538959683.db2.gz ZTZIQVCGZUIMMS-LLVKDONJSA-N 1 2 243.297 2.525 20 0 BFADLO C[C@H](CCO)[N@H+](Cc1ccccc1)CC(F)F ZINC000180981483 538959684 /nfs/dbraw/zinc/95/96/84/538959684.db2.gz ZTZIQVCGZUIMMS-LLVKDONJSA-N 1 2 243.297 2.525 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@]23C[C@H]2CCC3)c[nH+]1 ZINC000335022852 398275342 /nfs/dbraw/zinc/27/53/42/398275342.db2.gz ZIRHOYIULBENJD-UKRRQHHQSA-N 1 2 244.338 2.505 20 0 BFADLO Cc1cc(Cl)ccc1C[NH2+]Cc1ccn[nH]1 ZINC000231747132 342693362 /nfs/dbraw/zinc/69/33/62/342693362.db2.gz QPOQMHUCNBLBJU-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@H]2O)c2cccc(F)c2[nH+]1 ZINC000335604711 136235868 /nfs/dbraw/zinc/23/58/68/136235868.db2.gz PMGBZWLNZSXMLQ-DGCLKSJQSA-N 1 2 246.285 2.618 20 0 BFADLO Nc1cccc(-c2ccc(Cl)cc2)[nH+]1 ZINC000038068924 538964630 /nfs/dbraw/zinc/96/46/30/538964630.db2.gz PZRWABPFXCOHHM-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO Cc1cccc2c1CCN2CCCn1cc[nH+]c1 ZINC000182883276 538964775 /nfs/dbraw/zinc/96/47/75/538964775.db2.gz DTBXNSQXSJLXGZ-UHFFFAOYSA-N 1 2 241.338 2.644 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2C/C=C/Cl)no1 ZINC000045003827 342770538 /nfs/dbraw/zinc/77/05/38/342770538.db2.gz BDUWKZDLPMTKHX-JOAKQRRISA-N 1 2 226.707 2.872 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2C/C=C/Cl)no1 ZINC000045003827 342770540 /nfs/dbraw/zinc/77/05/40/342770540.db2.gz BDUWKZDLPMTKHX-JOAKQRRISA-N 1 2 226.707 2.872 20 0 BFADLO CCc1nc(C[NH2+]C(C)(C)CF)cs1 ZINC000336661998 361895693 /nfs/dbraw/zinc/89/56/93/361895693.db2.gz SLBIDTPRZXJBRT-UHFFFAOYSA-N 1 2 216.325 2.543 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]CC(F)F)cc1OC ZINC000040491052 538971925 /nfs/dbraw/zinc/97/19/25/538971925.db2.gz BJGWYRKRKRVVQB-MRVPVSSYSA-N 1 2 245.269 2.620 20 0 BFADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)C[C@H]2C[C@H]2C1 ZINC000624657083 342810646 /nfs/dbraw/zinc/81/06/46/342810646.db2.gz HXGKPYUZJDIUAV-JYAVWHMHSA-N 1 2 243.354 2.624 20 0 BFADLO COc1cc(C)ccc1-c1c[nH+]c(C)n1C ZINC000630054202 361918289 /nfs/dbraw/zinc/91/82/89/361918289.db2.gz JVGMKAMHESLBIJ-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO c1cc2cc(-c3c[nH+]c4n3CCCC4)cnc2[nH]1 ZINC000630051996 361919949 /nfs/dbraw/zinc/91/99/49/361919949.db2.gz RXSINUWLJJDFRF-UHFFFAOYSA-N 1 2 238.294 2.714 20 0 BFADLO Oc1ccc([C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000624723969 342822167 /nfs/dbraw/zinc/82/21/67/342822167.db2.gz MITSFCRFBVNDGD-CYBMUJFWSA-N 1 2 240.306 2.781 20 0 BFADLO CO[C@H]1C[C@H](Nc2[nH+]c3ccccc3cc2C)C1 ZINC000624725018 342822557 /nfs/dbraw/zinc/82/25/57/342822557.db2.gz IUHOUQVWSFJRHB-JOCQHMNTSA-N 1 2 242.322 2.554 20 0 BFADLO C/C=C/C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000624779464 342828411 /nfs/dbraw/zinc/82/84/11/342828411.db2.gz RWJQDESKDKOCGL-OOPCZODUSA-N 1 2 231.343 2.968 20 0 BFADLO Cc1cncc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053904 361924746 /nfs/dbraw/zinc/92/47/46/361924746.db2.gz XISLHTNQTZFJGI-UHFFFAOYSA-N 1 2 213.284 2.590 20 0 BFADLO Cc1cc(N2CCc3ccc(F)cc32)nc(C)[nH+]1 ZINC000189282551 538981730 /nfs/dbraw/zinc/98/17/30/538981730.db2.gz RALJMHQHMYDDCL-UHFFFAOYSA-N 1 2 243.285 2.927 20 0 BFADLO Cc1cccc(C)c1CNc1c[nH]c[nH+]1 ZINC000379923722 538982010 /nfs/dbraw/zinc/98/20/10/538982010.db2.gz JPKYCJNLLYQKOF-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]CC(F)F ZINC000379932925 538982155 /nfs/dbraw/zinc/98/21/55/538982155.db2.gz PPDSDBCEOAIFEL-MRVPVSSYSA-N 1 2 214.259 2.560 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cncs1 ZINC000380064383 538984168 /nfs/dbraw/zinc/98/41/68/538984168.db2.gz BRRAZAGAENCOEB-APPZFPTMSA-N 1 2 232.299 2.982 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1nccn1C ZINC000381457908 539001116 /nfs/dbraw/zinc/00/11/16/539001116.db2.gz IYMNCAKNQVNSKA-MRVPVSSYSA-N 1 2 239.706 2.517 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccncc1 ZINC000381485097 539001980 /nfs/dbraw/zinc/00/19/80/539001980.db2.gz UXFKGHVWJUNIQH-MWLCHTKSSA-N 1 2 226.270 2.920 20 0 BFADLO Oc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000381557713 539003725 /nfs/dbraw/zinc/00/37/25/539003725.db2.gz PSUVGJPNAOTYJZ-LLVKDONJSA-N 1 2 227.254 2.670 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CCC1(C)C)c1[nH]cc[nH+]1 ZINC000640724448 361964020 /nfs/dbraw/zinc/96/40/20/361964020.db2.gz NHXDQCJJQOBKQV-MNOVXSKESA-N 1 2 249.358 2.659 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1cscn1 ZINC000381042617 538994462 /nfs/dbraw/zinc/99/44/62/538994462.db2.gz CPWBCBSERQWYJC-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CCCO2)c(C)[nH+]1 ZINC000381065851 538994678 /nfs/dbraw/zinc/99/46/78/538994678.db2.gz MQZJMCDRSLPORC-WCQYABFASA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(NC(=O)CCCn2cc[nH+]c2)cs1 ZINC000634424726 361949011 /nfs/dbraw/zinc/94/90/11/361949011.db2.gz HYKNYLBGFXKQID-UHFFFAOYSA-N 1 2 249.339 2.672 20 0 BFADLO CC[C@H](NC(=O)Nc1cc[nH+]c(C)c1)C(C)(C)C ZINC000348847314 136242018 /nfs/dbraw/zinc/24/20/18/136242018.db2.gz BTIOIAGNYOASNP-LBPRGKRZSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625059519 342846390 /nfs/dbraw/zinc/84/63/90/342846390.db2.gz AKLRRJDNMGMXGN-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625059519 342846391 /nfs/dbraw/zinc/84/63/91/342846391.db2.gz AKLRRJDNMGMXGN-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO Cc1scc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000399805447 342866109 /nfs/dbraw/zinc/86/61/09/342866109.db2.gz GNAYEKPFZREWKR-MRVPVSSYSA-N 1 2 249.339 2.579 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]CCSCC(C)C ZINC000134596912 342872711 /nfs/dbraw/zinc/87/27/11/342872711.db2.gz BNUODLALNHODGY-JTQLQIEISA-N 1 2 241.404 2.758 20 0 BFADLO CC(C)[C@H]1[N@H+](Cc2csnn2)CC12CCC2 ZINC000336478567 398319731 /nfs/dbraw/zinc/31/97/31/398319731.db2.gz QAVZIHGFTYIJIL-LLVKDONJSA-N 1 2 237.372 2.549 20 0 BFADLO CC(C)[C@H]1[N@@H+](Cc2csnn2)CC12CCC2 ZINC000336478567 398319733 /nfs/dbraw/zinc/31/97/33/398319733.db2.gz QAVZIHGFTYIJIL-LLVKDONJSA-N 1 2 237.372 2.549 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](OCC)C1CC1 ZINC000625131827 342884267 /nfs/dbraw/zinc/88/42/67/342884267.db2.gz QNEKVFIQFANAOV-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](OCC)C1CC1 ZINC000625131827 342884268 /nfs/dbraw/zinc/88/42/68/342884268.db2.gz QNEKVFIQFANAOV-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625140579 342889035 /nfs/dbraw/zinc/88/90/35/342889035.db2.gz WNMUTRQHSFQDOJ-NSHDSACASA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625140579 342889037 /nfs/dbraw/zinc/88/90/37/342889037.db2.gz WNMUTRQHSFQDOJ-NSHDSACASA-N 1 2 235.331 2.712 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2nnc(C)o2)cs1 ZINC000584002169 342899844 /nfs/dbraw/zinc/89/98/44/342899844.db2.gz OHJGCDRGGYTKNP-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO C(c1noc(C2CCC2)n1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000625228632 342923157 /nfs/dbraw/zinc/92/31/57/342923157.db2.gz YRYMXJXJZOEJKW-VXGBXAGGSA-N 1 2 247.342 2.569 20 0 BFADLO CC[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221870 342919174 /nfs/dbraw/zinc/91/91/74/342919174.db2.gz FFEQYJHXFRGSMH-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221870 342919175 /nfs/dbraw/zinc/91/91/75/342919175.db2.gz FFEQYJHXFRGSMH-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO CCO[C@@H](C[N@H+](CC(F)F)C(C)C)C1CC1 ZINC000625222493 342919644 /nfs/dbraw/zinc/91/96/44/342919644.db2.gz QROSTEXLWGYFSV-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO CCO[C@@H](C[N@@H+](CC(F)F)C(C)C)C1CC1 ZINC000625222493 342919645 /nfs/dbraw/zinc/91/96/45/342919645.db2.gz QROSTEXLWGYFSV-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@@H](NC(=O)c1c(C)coc1C)c1[nH]cc[nH+]1 ZINC000354768300 398330039 /nfs/dbraw/zinc/33/00/39/398330039.db2.gz JVTVGMRNXOFPNQ-SNVBAGLBSA-N 1 2 247.298 2.501 20 0 BFADLO CC[C@H](NC(=O)c1c(C)coc1C)c1[nH]cc[nH+]1 ZINC000354768266 398330063 /nfs/dbraw/zinc/33/00/63/398330063.db2.gz JVTVGMRNXOFPNQ-JTQLQIEISA-N 1 2 247.298 2.501 20 0 BFADLO CC[C@H](NC(=O)/C=C/C1CCCC1)c1[nH]cc[nH+]1 ZINC000493352888 529456298 /nfs/dbraw/zinc/45/62/98/529456298.db2.gz NLRIHVLXTKAECP-GUOLPTJISA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@H](NC(=O)C=CC1CCCC1)c1[nH]cc[nH+]1 ZINC000493352888 529456300 /nfs/dbraw/zinc/45/63/00/529456300.db2.gz NLRIHVLXTKAECP-GUOLPTJISA-N 1 2 247.342 2.723 20 0 BFADLO COc1ccc(NCC2(SC)CCC2)[nH+]c1 ZINC000234976116 398333035 /nfs/dbraw/zinc/33/30/35/398333035.db2.gz DBUQYWYTRLBFPQ-UHFFFAOYSA-N 1 2 238.356 2.788 20 0 BFADLO C[C@H](Nc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000227840385 398340597 /nfs/dbraw/zinc/34/05/97/398340597.db2.gz FCAOTKWGIDHSNT-QMMMGPOBSA-N 1 2 248.717 2.885 20 0 BFADLO C[C@H](Nc1[nH+]cnc(N)c1Cl)c1ccccc1 ZINC000227840385 398340598 /nfs/dbraw/zinc/34/05/98/398340598.db2.gz FCAOTKWGIDHSNT-QMMMGPOBSA-N 1 2 248.717 2.885 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccncc2)s1 ZINC000175502551 346898096 /nfs/dbraw/zinc/89/80/96/346898096.db2.gz PSKZWEGLMCMWEX-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccncc2)s1 ZINC000175502551 346898098 /nfs/dbraw/zinc/89/80/98/346898098.db2.gz PSKZWEGLMCMWEX-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CC(C)C[C@@H](C)[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094330 342969142 /nfs/dbraw/zinc/96/91/42/342969142.db2.gz FVWUUIHINGZMAU-LLVKDONJSA-N 1 2 245.330 2.509 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353192777 187208393 /nfs/dbraw/zinc/20/83/93/187208393.db2.gz LOXRYHZVCUJABB-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353192777 187208394 /nfs/dbraw/zinc/20/83/94/187208394.db2.gz LOXRYHZVCUJABB-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000353674216 187209490 /nfs/dbraw/zinc/20/94/90/187209490.db2.gz TWKVODGGZLWCOK-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO CC[C@@H](NC(=O)/C=C/C1CCCC1)c1[nH]cc[nH+]1 ZINC000493352886 529571471 /nfs/dbraw/zinc/57/14/71/529571471.db2.gz NLRIHVLXTKAECP-ABZNLYFFSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)C=CC1CCCC1)c1[nH]cc[nH+]1 ZINC000493352886 529571475 /nfs/dbraw/zinc/57/14/75/529571475.db2.gz NLRIHVLXTKAECP-ABZNLYFFSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)/C=C/C(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590363 529571721 /nfs/dbraw/zinc/57/17/21/529571721.db2.gz DTPLGJNIUNVLSL-VQCYPWCPSA-N 1 2 235.331 2.579 20 0 BFADLO CC[C@@H](NC(=O)C=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590363 529571723 /nfs/dbraw/zinc/57/17/23/529571723.db2.gz DTPLGJNIUNVLSL-VQCYPWCPSA-N 1 2 235.331 2.579 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccs1 ZINC000037878791 342990849 /nfs/dbraw/zinc/99/08/49/342990849.db2.gz HNPWEOZKMCTINB-SECBINFHSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccccn2)cs1 ZINC000020253185 342978517 /nfs/dbraw/zinc/97/85/17/342978517.db2.gz BOUIJVKZHAOSJL-VIFPVBQESA-N 1 2 233.340 2.697 20 0 BFADLO CC[C@H]1CC[C@H]1Nc1[nH+]cccc1OC ZINC000308904577 259340530 /nfs/dbraw/zinc/34/05/30/259340530.db2.gz CEARVOCCRRXMIG-VHSXEESVSA-N 1 2 206.289 2.691 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000272487377 187336769 /nfs/dbraw/zinc/33/67/69/187336769.db2.gz SBCRWWRHNDEQHI-LBPRGKRZSA-N 1 2 236.359 2.572 20 0 BFADLO CC(C)=CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000375798560 187226395 /nfs/dbraw/zinc/22/63/95/187226395.db2.gz XBFVNGHDECNBBH-LBPRGKRZSA-N 1 2 221.300 2.619 20 0 BFADLO CC(C)=CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000375798560 187226396 /nfs/dbraw/zinc/22/63/96/187226396.db2.gz XBFVNGHDECNBBH-LBPRGKRZSA-N 1 2 221.300 2.619 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000505602562 529636356 /nfs/dbraw/zinc/63/63/56/529636356.db2.gz OIKCTUCXQYSFBM-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000505602562 529636358 /nfs/dbraw/zinc/63/63/58/529636358.db2.gz OIKCTUCXQYSFBM-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1cc(N[C@H](C)C(C)(C)C)nc[nH+]1 ZINC000085705350 488200062 /nfs/dbraw/zinc/20/00/62/488200062.db2.gz ARCQCWGTQDPTCN-SECBINFHSA-N 1 2 207.321 2.886 20 0 BFADLO O[C@@H]1CCCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631093573 343102468 /nfs/dbraw/zinc/10/24/68/343102468.db2.gz LHJWQIQLUZAEHP-ZIAGYGMSSA-N 1 2 242.322 2.950 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1C[C@@H]1C)C(F)(F)F ZINC000625258946 343125745 /nfs/dbraw/zinc/12/57/45/343125745.db2.gz WGKIBOFUUFUPAJ-YIZRAAEISA-N 1 2 209.255 2.963 20 0 BFADLO Nc1ccc(-c2cccn3cc[nH+]c23)cc1 ZINC000028763698 343131975 /nfs/dbraw/zinc/13/19/75/343131975.db2.gz YGROKUAMWQIHDX-UHFFFAOYSA-N 1 2 209.252 2.584 20 0 BFADLO Cc1cc(CNC(=O)[C@H](C)C(C)C)cc(C)[nH+]1 ZINC000421575419 192354757 /nfs/dbraw/zinc/35/47/57/192354757.db2.gz KDXBRTSOFYZKOP-GFCCVEGCSA-N 1 2 234.343 2.607 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(C)C)cc(C)[nH+]1 ZINC000421575287 192355046 /nfs/dbraw/zinc/35/50/46/192355046.db2.gz JQTFHLYMUQXPBC-UONOGXRCSA-N 1 2 246.354 2.607 20 0 BFADLO CC[C@H](C)C[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000394451656 259354221 /nfs/dbraw/zinc/35/42/21/259354221.db2.gz GVYSJOBHHXWHMP-JSGCOSHPSA-N 1 2 249.354 2.754 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000625275536 343215304 /nfs/dbraw/zinc/21/53/04/343215304.db2.gz JAJWMTKATYELEG-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000625275536 343215307 /nfs/dbraw/zinc/21/53/07/343215307.db2.gz JAJWMTKATYELEG-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO CC[N@H+](CCC1CC1)Cc1noc(C2CCC2)n1 ZINC000625325321 343233246 /nfs/dbraw/zinc/23/32/46/343233246.db2.gz ZNRQGFGDBIRKQF-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC[N@@H+](CCC1CC1)Cc1noc(C2CCC2)n1 ZINC000625325321 343233249 /nfs/dbraw/zinc/23/32/49/343233249.db2.gz ZNRQGFGDBIRKQF-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO c1cn(C[C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000034503404 343273482 /nfs/dbraw/zinc/27/34/82/343273482.db2.gz OQDCFQWKDIMKKZ-LBPRGKRZSA-N 1 2 212.296 2.688 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)C2CC2)cc1CO ZINC000037901513 343359967 /nfs/dbraw/zinc/35/99/67/343359967.db2.gz IGHDDVNGKGGUCX-JTQLQIEISA-N 1 2 235.327 2.788 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)CC)cc1CO ZINC000037901553 343359976 /nfs/dbraw/zinc/35/99/76/343359976.db2.gz FGWCKHWYXNACOO-JTQLQIEISA-N 1 2 223.316 2.788 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)C2CC2)cc1CO ZINC000037901514 343360077 /nfs/dbraw/zinc/36/00/77/343360077.db2.gz IGHDDVNGKGGUCX-SNVBAGLBSA-N 1 2 235.327 2.788 20 0 BFADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000038011178 343365829 /nfs/dbraw/zinc/36/58/29/343365829.db2.gz GJAOVQQVGBVWHQ-AWEZNQCLSA-N 1 2 229.327 2.959 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)CC1CCC1 ZINC000625386713 343369207 /nfs/dbraw/zinc/36/92/07/343369207.db2.gz SXBVVHIJKSJVNI-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)CC1CCC1 ZINC000625386713 343369208 /nfs/dbraw/zinc/36/92/08/343369208.db2.gz SXBVVHIJKSJVNI-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO COC(=O)CCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000037287067 343342935 /nfs/dbraw/zinc/34/29/35/343342935.db2.gz LXCUKIPDTIOCRI-UHFFFAOYSA-N 1 2 246.310 2.606 20 0 BFADLO Cc1cc[nH+]cc1Cn1cc(/C=C\C(C)C)nn1 ZINC000641070538 362179727 /nfs/dbraw/zinc/17/97/27/362179727.db2.gz HAVBMBQPDZMJNT-PLNGDYQASA-N 1 2 242.326 2.699 20 0 BFADLO COC(=O)[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000061840290 344032248 /nfs/dbraw/zinc/03/22/48/344032248.db2.gz LBAAYGPEENKFDK-ZDUSSCGKSA-N 1 2 249.354 2.754 20 0 BFADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000275105726 187338142 /nfs/dbraw/zinc/33/81/42/187338142.db2.gz KPYJXZSHINORQP-WDEREUQCSA-N 1 2 243.310 2.565 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1noc(-c2ccsc2)n1 ZINC000335690282 136324700 /nfs/dbraw/zinc/32/47/00/136324700.db2.gz WWMUEMVQWXAIIE-IUCAKERBSA-N 1 2 249.339 2.781 20 0 BFADLO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(F)F)c1 ZINC000037900815 187260712 /nfs/dbraw/zinc/26/07/12/187260712.db2.gz DCMIOGBDXAOLIV-QMMMGPOBSA-N 1 2 242.269 2.561 20 0 BFADLO Cc1cc(N2CC3(CCC3)[C@H]2C(C)C)nc[nH+]1 ZINC000335733753 136349649 /nfs/dbraw/zinc/34/96/49/136349649.db2.gz DGOBWRFZINIOFW-CYBMUJFWSA-N 1 2 231.343 2.800 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccon1 ZINC000349246516 136332530 /nfs/dbraw/zinc/33/25/30/136332530.db2.gz SUZVXQLDPAEEQU-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO CN1CC[N@H+](CC2CCC2)C2(CCCCC2)C1 ZINC000335879040 136356397 /nfs/dbraw/zinc/35/63/97/136356397.db2.gz KKTOUYRHKKJYES-UHFFFAOYSA-N 1 2 236.403 2.737 20 0 BFADLO CN1CC[N@@H+](CC2CCC2)C2(CCCCC2)C1 ZINC000335879040 136356398 /nfs/dbraw/zinc/35/63/98/136356398.db2.gz KKTOUYRHKKJYES-UHFFFAOYSA-N 1 2 236.403 2.737 20 0 BFADLO Cc1cc(CSc2[nH+]cc3ccccn32)no1 ZINC000048393456 136372849 /nfs/dbraw/zinc/37/28/49/136372849.db2.gz VMIBULVAMHIPBM-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl ZINC000046773859 343550242 /nfs/dbraw/zinc/55/02/42/343550242.db2.gz QNBHDJHPZATMPA-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccccc1Cl ZINC000046773859 343550245 /nfs/dbraw/zinc/55/02/45/343550245.db2.gz QNBHDJHPZATMPA-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000047979096 343569591 /nfs/dbraw/zinc/56/95/91/343569591.db2.gz KRPJOKIRSWQFEO-ZDUSSCGKSA-N 1 2 235.327 2.536 20 0 BFADLO C/C=C/CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631392045 343611990 /nfs/dbraw/zinc/61/19/90/343611990.db2.gz WEPSZGUJQUTRAQ-NSCUHMNNSA-N 1 2 228.299 2.775 20 0 BFADLO C[N@H+](Cc1cscn1)Cc1ccccc1 ZINC000052867469 343640771 /nfs/dbraw/zinc/64/07/71/343640771.db2.gz KESDPPWECODKKR-UHFFFAOYSA-N 1 2 218.325 2.775 20 0 BFADLO C[N@@H+](Cc1cscn1)Cc1ccccc1 ZINC000052867469 343640773 /nfs/dbraw/zinc/64/07/73/343640773.db2.gz KESDPPWECODKKR-UHFFFAOYSA-N 1 2 218.325 2.775 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccccc2F)on1 ZINC000053403141 343647832 /nfs/dbraw/zinc/64/78/32/343647832.db2.gz UNABXSFENVARSM-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccccc2F)on1 ZINC000053403141 343647836 /nfs/dbraw/zinc/64/78/36/343647836.db2.gz UNABXSFENVARSM-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CCC1 ZINC000287517685 187345858 /nfs/dbraw/zinc/34/58/58/187345858.db2.gz MQRSGWLMCDQHMY-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000049368213 187270168 /nfs/dbraw/zinc/27/01/68/187270168.db2.gz XSRYHKYHVXJXTA-VXGBXAGGSA-N 1 2 235.327 2.597 20 0 BFADLO CC[C@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573383 192364593 /nfs/dbraw/zinc/36/45/93/192364593.db2.gz ALTRDUSQXRPUOX-JTQLQIEISA-N 1 2 234.343 2.751 20 0 BFADLO C[C@@H](NC(=O)C1C[C@H](C)C[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000576528173 343752964 /nfs/dbraw/zinc/75/29/64/343752964.db2.gz DEZUPDVWZCGUSC-GMTAPVOTSA-N 1 2 249.358 2.659 20 0 BFADLO FC(F)C[N@H+](C1CC1)[C@H]1C=CCCC1 ZINC000066539716 349873831 /nfs/dbraw/zinc/87/38/31/349873831.db2.gz HRUOCBVHZZWMBM-VIFPVBQESA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)C[N@@H+](C1CC1)[C@H]1C=CCCC1 ZINC000066539716 349873835 /nfs/dbraw/zinc/87/38/35/349873835.db2.gz HRUOCBVHZZWMBM-VIFPVBQESA-N 1 2 201.260 2.825 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOCC2(C)C)cc1F ZINC000179557082 346989253 /nfs/dbraw/zinc/98/92/53/346989253.db2.gz INNJLPQUSVUNCV-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCOCC2(C)C)cc1F ZINC000179557082 346989255 /nfs/dbraw/zinc/98/92/55/346989255.db2.gz INNJLPQUSVUNCV-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO c1cc(-c2cn3c([nH+]2)CCCC3)cs1 ZINC000409437691 343848471 /nfs/dbraw/zinc/84/84/71/343848471.db2.gz IHRMLUORFWWBKG-UHFFFAOYSA-N 1 2 204.298 2.948 20 0 BFADLO Cc1ccc(C)c(NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000074727072 187277224 /nfs/dbraw/zinc/27/72/24/187277224.db2.gz KYYWFOZAYXXAGF-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1ccc(C)c(NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000074727072 187277226 /nfs/dbraw/zinc/27/72/26/187277226.db2.gz KYYWFOZAYXXAGF-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1nnc(OCC)s1 ZINC000067965220 343909656 /nfs/dbraw/zinc/90/96/56/343909656.db2.gz YKKVVMLYKMXYAS-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1nnc(OCC)s1 ZINC000067965220 343909659 /nfs/dbraw/zinc/90/96/59/343909659.db2.gz YKKVVMLYKMXYAS-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO C[N@H+](Cc1ccc(Cl)nc1Cl)C1CC1 ZINC000234302231 343939388 /nfs/dbraw/zinc/93/93/88/343939388.db2.gz IVNWSIUONWRPJP-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)nc1Cl)C1CC1 ZINC000234302231 343939389 /nfs/dbraw/zinc/93/93/89/343939389.db2.gz IVNWSIUONWRPJP-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000060460194 343940885 /nfs/dbraw/zinc/94/08/85/343940885.db2.gz CAEMHAYQEAMONH-SNVBAGLBSA-N 1 2 225.719 2.733 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)CCC(C)(C)C)c[nH+]1 ZINC000077036937 344054007 /nfs/dbraw/zinc/05/40/07/344054007.db2.gz MJWQNALDVLNCOO-VIFPVBQESA-N 1 2 237.347 2.663 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726345 344058074 /nfs/dbraw/zinc/05/80/74/344058074.db2.gz ZTIKRSHNQXPXGQ-UHFFFAOYSA-N 1 2 244.294 2.513 20 0 BFADLO Cc1noc(C)c1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726345 344058075 /nfs/dbraw/zinc/05/80/75/344058075.db2.gz ZTIKRSHNQXPXGQ-UHFFFAOYSA-N 1 2 244.294 2.513 20 0 BFADLO Cc1ccc(CN(C)c2cc[nH+]cc2F)o1 ZINC000641256549 362333883 /nfs/dbraw/zinc/33/38/83/362333883.db2.gz AISMGWFXYASKDO-UHFFFAOYSA-N 1 2 220.247 2.759 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCCC(F)(F)CC1 ZINC000625771732 344067286 /nfs/dbraw/zinc/06/72/86/344067286.db2.gz JIRQYGYPOFOBKK-QMMMGPOBSA-N 1 2 247.314 2.720 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCCC(F)(F)CC1 ZINC000625771732 344067288 /nfs/dbraw/zinc/06/72/88/344067288.db2.gz JIRQYGYPOFOBKK-QMMMGPOBSA-N 1 2 247.314 2.720 20 0 BFADLO C[C@@H]1CCC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641286362 362346281 /nfs/dbraw/zinc/34/62/81/362346281.db2.gz XPXDRBUTVWUJBX-ZYHUDNBSSA-N 1 2 220.316 2.565 20 0 BFADLO CC(C)c1nnc(C[NH+](C2CC2)C2CC2)s1 ZINC000625842303 344093765 /nfs/dbraw/zinc/09/37/65/344093765.db2.gz ZYPVMRRZEMNTJT-UHFFFAOYSA-N 1 2 237.372 2.788 20 0 BFADLO Cc1ccsc1CNc1cc(CO)cc[nH+]1 ZINC000641311706 362358643 /nfs/dbraw/zinc/35/86/43/362358643.db2.gz RELSQQLNWUOYPQ-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO CCC[C@H](CC)Nc1cc(CO)cc[nH+]1 ZINC000641315081 362359752 /nfs/dbraw/zinc/35/97/52/362359752.db2.gz CNEFFUNMINKMBL-NSHDSACASA-N 1 2 208.305 2.565 20 0 BFADLO C/C=C\CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000384903254 344221604 /nfs/dbraw/zinc/22/16/04/344221604.db2.gz OLEAFMFRPYUECD-IHWYPQMZSA-N 1 2 216.206 2.510 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CCCC34CC4)c2cn1 ZINC000631418932 344203461 /nfs/dbraw/zinc/20/34/61/344203461.db2.gz OSBSHMCXUOSESB-CQSZACIVSA-N 1 2 239.322 2.796 20 0 BFADLO Cc1cc(N[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040727073 344246732 /nfs/dbraw/zinc/24/67/32/344246732.db2.gz FORLJIPMGBHXKS-GXSJLCMTSA-N 1 2 205.305 2.776 20 0 BFADLO CC[N@H+](Cc1cncs1)Cc1ccccn1 ZINC000093338688 344314193 /nfs/dbraw/zinc/31/41/93/344314193.db2.gz FUWKIJYHARCOFH-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cncs1)Cc1ccccn1 ZINC000093338688 344314194 /nfs/dbraw/zinc/31/41/94/344314194.db2.gz FUWKIJYHARCOFH-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1ncc[nH]1 ZINC000600619735 344340566 /nfs/dbraw/zinc/34/05/66/344340566.db2.gz BSXAILZGHOCNMR-LLVKDONJSA-N 1 2 215.300 2.603 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600619735 344340567 /nfs/dbraw/zinc/34/05/67/344340567.db2.gz BSXAILZGHOCNMR-LLVKDONJSA-N 1 2 215.300 2.603 20 0 BFADLO Fc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC000041283955 344433380 /nfs/dbraw/zinc/43/33/80/344433380.db2.gz HYNXPUHAJWSBQK-UHFFFAOYSA-N 1 2 240.665 2.755 20 0 BFADLO CCc1ccccc1CNc1cc(CO)cc[nH+]1 ZINC000641388955 362386700 /nfs/dbraw/zinc/38/67/00/362386700.db2.gz HDWOXWBZZYWMHM-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO CC[C@@H](C)C[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641401196 362394567 /nfs/dbraw/zinc/39/45/67/362394567.db2.gz IMJJGWXELFKLHO-MNOVXSKESA-N 1 2 222.332 2.811 20 0 BFADLO COc1ccc[nH+]c1NCC1(SC)CCC1 ZINC000234948235 344493929 /nfs/dbraw/zinc/49/39/29/344493929.db2.gz NGFXUPRFNHFXNO-UHFFFAOYSA-N 1 2 238.356 2.788 20 0 BFADLO C[C@@H]1c2ccccc2CN1c1cc(CO)cc[nH+]1 ZINC000641411166 362402883 /nfs/dbraw/zinc/40/28/83/362402883.db2.gz HEZPRZZVYPSVSF-LLVKDONJSA-N 1 2 240.306 2.655 20 0 BFADLO C[C@@H](CC(=O)N1CCCCC[C@@H]1C)n1cc[nH+]c1 ZINC000577518730 344535213 /nfs/dbraw/zinc/53/52/13/344535213.db2.gz JZRBVIKBTLGUKC-STQMWFEESA-N 1 2 249.358 2.625 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]cc1F ZINC000641477162 362446753 /nfs/dbraw/zinc/44/67/53/362446753.db2.gz VZFRBGOCLFFKFM-VHSXEESVSA-N 1 2 208.280 2.988 20 0 BFADLO COc1cccc(SCc2cn(C)c[nH+]2)c1 ZINC000641440800 362421109 /nfs/dbraw/zinc/42/11/09/362421109.db2.gz JVUSZJYCQVURJL-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO OCc1cc[nH+]c(N[C@H]2CC23CCCCC3)c1 ZINC000641477016 362446077 /nfs/dbraw/zinc/44/60/77/362446077.db2.gz HJDKOLKERPONIF-LBPRGKRZSA-N 1 2 232.327 2.709 20 0 BFADLO CC1(C)CC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641474191 362442776 /nfs/dbraw/zinc/44/27/76/362442776.db2.gz KFJHPWXFBVVTRD-LLVKDONJSA-N 1 2 220.316 2.565 20 0 BFADLO CCCC[C@@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000309434440 347061216 /nfs/dbraw/zinc/06/12/16/347061216.db2.gz MWCVADKSGQCXOJ-MRVPVSSYSA-N 1 2 242.754 2.727 20 0 BFADLO CCCC[C@@H](C)N(C)c1[nH+]cnc(N)c1Cl ZINC000309434440 347061217 /nfs/dbraw/zinc/06/12/17/347061217.db2.gz MWCVADKSGQCXOJ-MRVPVSSYSA-N 1 2 242.754 2.727 20 0 BFADLO CCCC[C@H](C)N(C)c1nc[nH+]c(N)c1Cl ZINC000309434442 347061352 /nfs/dbraw/zinc/06/13/52/347061352.db2.gz MWCVADKSGQCXOJ-QMMMGPOBSA-N 1 2 242.754 2.727 20 0 BFADLO CCCC[C@H](C)N(C)c1[nH+]cnc(N)c1Cl ZINC000309434442 347061355 /nfs/dbraw/zinc/06/13/55/347061355.db2.gz MWCVADKSGQCXOJ-QMMMGPOBSA-N 1 2 242.754 2.727 20 0 BFADLO Fc1c[nH+]ccc1N1CCCC2(CC2)C1 ZINC000641496336 362461495 /nfs/dbraw/zinc/46/14/95/362461495.db2.gz KVHBBJMPTIDLDH-UHFFFAOYSA-N 1 2 206.264 2.601 20 0 BFADLO C[C@H](CCC1CC1)Nc1cc(CO)cc[nH+]1 ZINC000641496477 362461673 /nfs/dbraw/zinc/46/16/73/362461673.db2.gz MGFISEHQSAFICH-SNVBAGLBSA-N 1 2 220.316 2.565 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1Cc2ccccc21 ZINC000127792555 344652747 /nfs/dbraw/zinc/65/27/47/344652747.db2.gz VQADRPLFPQLINN-GFCCVEGCSA-N 1 2 240.306 2.842 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)cs1 ZINC000626005757 344668070 /nfs/dbraw/zinc/66/80/70/344668070.db2.gz JWGIJIORRRXEDE-LBPRGKRZSA-N 1 2 243.347 2.617 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@@H](CCF)C2)cs1 ZINC000626005757 344668072 /nfs/dbraw/zinc/66/80/72/344668072.db2.gz JWGIJIORRRXEDE-LBPRGKRZSA-N 1 2 243.347 2.617 20 0 BFADLO CCSCC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603301158 349915871 /nfs/dbraw/zinc/91/58/71/349915871.db2.gz SZMQBLNKUXIXNF-JTQLQIEISA-N 1 2 240.372 2.518 20 0 BFADLO CS[C@@H]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000603295944 349915325 /nfs/dbraw/zinc/91/53/25/349915325.db2.gz XJBKFVJLACVAHO-NXEZZACHSA-N 1 2 240.347 2.729 20 0 BFADLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nnsc1Cl ZINC000075022322 344762657 /nfs/dbraw/zinc/76/26/57/344762657.db2.gz QYJLTFYRGFKVOC-YUMQZZPRSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnsc1Cl ZINC000075022322 344762658 /nfs/dbraw/zinc/76/26/58/344762658.db2.gz QYJLTFYRGFKVOC-YUMQZZPRSA-N 1 2 245.779 2.812 20 0 BFADLO CCCCc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)no1 ZINC000076112337 344796243 /nfs/dbraw/zinc/79/62/43/344796243.db2.gz IMANVQBCQSTOBT-QWRGUYRKSA-N 1 2 237.347 2.500 20 0 BFADLO CN(CCc1ccccc1)c1cccc[nH+]1 ZINC000076840592 344807300 /nfs/dbraw/zinc/80/73/00/344807300.db2.gz HLOOVIMCOVBZBI-UHFFFAOYSA-N 1 2 212.296 2.761 20 0 BFADLO CCC(=O)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000077222322 344818466 /nfs/dbraw/zinc/81/84/66/344818466.db2.gz HQHMUMOYGFQCRU-SECBINFHSA-N 1 2 234.324 2.794 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)C2CC2)c(C)[nH+]1 ZINC000176194889 178747131 /nfs/dbraw/zinc/74/71/31/178747131.db2.gz YCJBEJUCRVVWLA-SECBINFHSA-N 1 2 218.300 2.683 20 0 BFADLO CCCC(O)(CCC)CNc1cc[nH+]c(C)n1 ZINC000078294848 344843685 /nfs/dbraw/zinc/84/36/85/344843685.db2.gz RFUIXUCZCZUPCA-UHFFFAOYSA-N 1 2 237.347 2.528 20 0 BFADLO CC[N@H+](Cc1csc(C)n1)Cc1ccccn1 ZINC000119874844 344868683 /nfs/dbraw/zinc/86/86/83/344868683.db2.gz COCQDYFMGCIJQF-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1csc(C)n1)Cc1ccccn1 ZINC000119874844 344868687 /nfs/dbraw/zinc/86/86/87/344868687.db2.gz COCQDYFMGCIJQF-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC1(C)C[C@@H]1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120239792 344882673 /nfs/dbraw/zinc/88/26/73/344882673.db2.gz XIJHZSPXVKFHLJ-MNOVXSKESA-N 1 2 247.342 2.509 20 0 BFADLO Cc1ccc(N[C@@H](Cn2cccn2)C(C)C)c[nH+]1 ZINC000285151522 178772142 /nfs/dbraw/zinc/77/21/42/178772142.db2.gz MGFDDPAOKLBDAR-AWEZNQCLSA-N 1 2 244.342 2.723 20 0 BFADLO CCc1cc(NCCC2=CCCC2)nc[nH+]1 ZINC000229173803 537876160 /nfs/dbraw/zinc/87/61/60/537876160.db2.gz YAHQXXXEGBSWJG-UHFFFAOYSA-N 1 2 217.316 2.951 20 0 BFADLO CC[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579013994 344931270 /nfs/dbraw/zinc/93/12/70/344931270.db2.gz LNCCEWLRAYSNKG-QWHCGFSZSA-N 1 2 249.358 2.625 20 0 BFADLO CCCCc1cc(N[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000631094039 344934789 /nfs/dbraw/zinc/93/47/89/344934789.db2.gz RHLQZPNQHNIELD-STQMWFEESA-N 1 2 249.358 2.535 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@@H](C)C1 ZINC000582033746 347085456 /nfs/dbraw/zinc/08/54/56/347085456.db2.gz SEGBQRUNOZSOKK-SECBINFHSA-N 1 2 247.342 2.517 20 0 BFADLO CCc1nnc(SCc2ccc(C)[nH+]c2C)o1 ZINC000641560907 362501237 /nfs/dbraw/zinc/50/12/37/362501237.db2.gz IZPAUXBKBOKSBG-UHFFFAOYSA-N 1 2 249.339 2.936 20 0 BFADLO CCC[C@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000079696977 345021866 /nfs/dbraw/zinc/02/18/66/345021866.db2.gz LUICFMXMCYNNJB-WDEREUQCSA-N 1 2 247.342 2.522 20 0 BFADLO CC(=O)[C@@H](C)SCCc1[nH]c2ccccc2[nH+]1 ZINC000603322870 349922307 /nfs/dbraw/zinc/92/23/07/349922307.db2.gz WNEMZASNIQLANP-SNVBAGLBSA-N 1 2 248.351 2.816 20 0 BFADLO COc1ccc(NCC2(C(C)C)CC2)[nH+]c1 ZINC000234973822 537883738 /nfs/dbraw/zinc/88/37/38/537883738.db2.gz NHJFGRPTTMTTDI-UHFFFAOYSA-N 1 2 220.316 2.938 20 0 BFADLO O[C@H]1CCCC[C@H]1CCCNc1cccc[nH+]1 ZINC000154514785 345039783 /nfs/dbraw/zinc/03/97/83/345039783.db2.gz NYZNRPSWPADDCS-STQMWFEESA-N 1 2 234.343 2.825 20 0 BFADLO Fc1c[nH+]ccc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000641620474 362551995 /nfs/dbraw/zinc/55/19/95/362551995.db2.gz VGTLGOMKHIVVEK-PHIMTYICSA-N 1 2 220.291 2.847 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H](C2CC2)C1 ZINC000641597765 362538528 /nfs/dbraw/zinc/53/85/28/362538528.db2.gz GBJARDPEKLPXDS-NSHDSACASA-N 1 2 220.291 2.847 20 0 BFADLO CC1(C2CC2)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641602414 362542248 /nfs/dbraw/zinc/54/22/48/362542248.db2.gz PEEGEDYBLAMWGF-UHFFFAOYSA-N 1 2 246.354 2.590 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CC3CCC2CC3)c1 ZINC000641610265 362546416 /nfs/dbraw/zinc/54/64/16/362546416.db2.gz RFRRORHMZWWMMB-KGPNIALWSA-N 1 2 232.327 2.565 20 0 BFADLO CC(C)(C)C[C@@H]1C[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641650617 362576650 /nfs/dbraw/zinc/57/66/50/362576650.db2.gz TXZXHJUCVYFFGA-NWDGAFQWSA-N 1 2 234.343 2.811 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C(F)(F)F)cc[nH+]1 ZINC000080220854 345122858 /nfs/dbraw/zinc/12/28/58/345122858.db2.gz ORAZVWYEJCCDKY-SSDOTTSWSA-N 1 2 232.205 2.527 20 0 BFADLO C[C@@H](CNc1cc(CO)cc[nH+]1)CC(F)(F)F ZINC000641633067 362561606 /nfs/dbraw/zinc/56/16/06/362561606.db2.gz BQYXGWJXJVOQHS-MRVPVSSYSA-N 1 2 248.248 2.574 20 0 BFADLO C[C@@H]1[C@H](C)CN(c2cc[nH+]cc2F)[C@H]1C ZINC000641636346 362566845 /nfs/dbraw/zinc/56/68/45/362566845.db2.gz GAYOFYRSYSESIJ-BBBLOLIVSA-N 1 2 208.280 2.701 20 0 BFADLO CCOCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000634951874 345127855 /nfs/dbraw/zinc/12/78/55/345127855.db2.gz JBBFZDWOQDRYDR-UHFFFAOYSA-N 1 2 246.310 2.501 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000156113451 345128993 /nfs/dbraw/zinc/12/89/93/345128993.db2.gz FWMFXFNSKKGWLG-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2ccccc2Cl)[C@H]1C ZINC000156113451 345128996 /nfs/dbraw/zinc/12/89/96/345128996.db2.gz FWMFXFNSKKGWLG-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000156185273 345132528 /nfs/dbraw/zinc/13/25/28/345132528.db2.gz RFPWGICQTCWPIA-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(Cl)c1 ZINC000156185273 345132530 /nfs/dbraw/zinc/13/25/30/345132530.db2.gz RFPWGICQTCWPIA-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO CC(C)C[C@@H](C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000635072503 345238757 /nfs/dbraw/zinc/23/87/57/345238757.db2.gz VTPVEMNCHZCUNU-ZDUSSCGKSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nsc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000566568832 345219033 /nfs/dbraw/zinc/21/90/33/345219033.db2.gz AQZKJTUXQUKCEY-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nsc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000566568832 345219035 /nfs/dbraw/zinc/21/90/35/345219035.db2.gz AQZKJTUXQUKCEY-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CCC[C@@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635190031 345269499 /nfs/dbraw/zinc/26/94/99/345269499.db2.gz WYXXDTMVRZASDH-SNVBAGLBSA-N 1 2 245.326 2.561 20 0 BFADLO CCC(C)(C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635201476 345270107 /nfs/dbraw/zinc/27/01/07/345270107.db2.gz ZXQRWVAQZZFZCD-UHFFFAOYSA-N 1 2 245.326 2.561 20 0 BFADLO COC[C@@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000080683476 345428842 /nfs/dbraw/zinc/42/88/42/345428842.db2.gz SASQWAHPBCULRQ-CQSZACIVSA-N 1 2 242.322 2.751 20 0 BFADLO CC[C@@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000080956328 345454977 /nfs/dbraw/zinc/45/49/77/345454977.db2.gz BMCMJQQLXMPFJW-LLVKDONJSA-N 1 2 244.342 2.893 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ncc(Cl)n1C ZINC000080655904 345400117 /nfs/dbraw/zinc/40/01/17/345400117.db2.gz OLTPLKGCCLKHKI-AOOOYVTPSA-N 1 2 241.766 2.836 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncc(Cl)n1C ZINC000080655904 345400120 /nfs/dbraw/zinc/40/01/20/345400120.db2.gz OLTPLKGCCLKHKI-AOOOYVTPSA-N 1 2 241.766 2.836 20 0 BFADLO FCC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641659108 362584139 /nfs/dbraw/zinc/58/41/39/362584139.db2.gz MFERZPJUWDNGHD-SNVBAGLBSA-N 1 2 226.270 2.797 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2CCSCC2)[nH+]1 ZINC000080973215 345457015 /nfs/dbraw/zinc/45/70/15/345457015.db2.gz OTDDHFBOJAAJCK-UHFFFAOYSA-N 1 2 248.355 2.574 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000081006593 345460738 /nfs/dbraw/zinc/46/07/38/345460738.db2.gz LNFZSGKBIZYOFX-UWVGGRQHSA-N 1 2 244.342 2.891 20 0 BFADLO CC(C)[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000308502578 187305356 /nfs/dbraw/zinc/30/53/56/187305356.db2.gz HJEBQCLXEPXKQP-IONNQARKSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1cc(NC[C@H]2C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000136088877 345475477 /nfs/dbraw/zinc/47/54/77/345475477.db2.gz ZSBAPWOJVMTQNT-GXSJLCMTSA-N 1 2 219.332 2.976 20 0 BFADLO Cc1cc(NC[C@H]2C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000136088952 345475520 /nfs/dbraw/zinc/47/55/20/345475520.db2.gz ZSBAPWOJVMTQNT-MWLCHTKSSA-N 1 2 219.332 2.976 20 0 BFADLO c1csc(C2([NH2+]Cc3ccno3)CCCC2)n1 ZINC000081607311 345486989 /nfs/dbraw/zinc/48/69/89/345486989.db2.gz RTQQSIBDESQFER-UHFFFAOYSA-N 1 2 249.339 2.690 20 0 BFADLO CCN(C[C@H]1CCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000091458035 345593055 /nfs/dbraw/zinc/59/30/55/345593055.db2.gz CTEUDQKDWNUZFU-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)on1 ZINC000091898653 345611626 /nfs/dbraw/zinc/61/16/26/345611626.db2.gz NORIFJHOHJIYPO-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(C[N@H+]2CCc3cc(F)ccc3C2)on1 ZINC000091898653 345611629 /nfs/dbraw/zinc/61/16/29/345611629.db2.gz NORIFJHOHJIYPO-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ocnc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000092689733 345636114 /nfs/dbraw/zinc/63/61/14/345636114.db2.gz ROKVBGONAJAZQK-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000093639936 345661763 /nfs/dbraw/zinc/66/17/63/345661763.db2.gz GKWSYRVAOFCFCO-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000093639936 345661766 /nfs/dbraw/zinc/66/17/66/345661766.db2.gz GKWSYRVAOFCFCO-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO CNc1ccc(Nc2nc(C3CC3)ns2)c[nH+]1 ZINC000092612329 345641838 /nfs/dbraw/zinc/64/18/38/345641838.db2.gz ZJULBARHZKXPQE-UHFFFAOYSA-N 1 2 247.327 2.596 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)c1C ZINC000093323366 345651699 /nfs/dbraw/zinc/65/16/99/345651699.db2.gz BWVDAZXJSDVQHK-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1C ZINC000093323366 345651700 /nfs/dbraw/zinc/65/17/00/345651700.db2.gz BWVDAZXJSDVQHK-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO C[C@H](CC1CCC1)Nc1cc(CO)cc[nH+]1 ZINC000641683949 362602809 /nfs/dbraw/zinc/60/28/09/362602809.db2.gz RYDKTUOGIWSQGB-SNVBAGLBSA-N 1 2 220.316 2.565 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378859005 345691041 /nfs/dbraw/zinc/69/10/41/345691041.db2.gz NFAIONOHTWUGJI-SECBINFHSA-N 1 2 214.259 2.696 20 0 BFADLO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(F)(F)F ZINC000309569207 187309347 /nfs/dbraw/zinc/30/93/47/187309347.db2.gz NDRMMXJSUGLVDR-BBBLOLIVSA-N 1 2 239.281 2.588 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@H]1C(C)C ZINC000381412006 345813376 /nfs/dbraw/zinc/81/33/76/345813376.db2.gz UWRHNQGEQOBDQZ-QWRGUYRKSA-N 1 2 220.316 2.937 20 0 BFADLO Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000140840062 345823788 /nfs/dbraw/zinc/82/37/88/345823788.db2.gz PUKIYWIIVDINKG-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO c1cc(OCCOCC2CCCC2)cc[nH+]1 ZINC000418958584 192092198 /nfs/dbraw/zinc/09/21/98/192092198.db2.gz XPKSWKJDBFLZNI-UHFFFAOYSA-N 1 2 221.300 2.667 20 0 BFADLO Cc1nc(N[C@H](CO)CC2CCCCC2)cc[nH+]1 ZINC000419016375 192094236 /nfs/dbraw/zinc/09/42/36/192094236.db2.gz PFDQLJZIGPMMJU-ZDUSSCGKSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000419017835 192094396 /nfs/dbraw/zinc/09/43/96/192094396.db2.gz OOBYCPLSHWQBSR-AUTRQRHGSA-N 1 2 233.359 2.883 20 0 BFADLO CC(C)C[C@@H](C(=O)NC1(C)CCC1)n1cc[nH+]c1 ZINC000635732664 346042812 /nfs/dbraw/zinc/04/28/12/346042812.db2.gz FPYBFPABARIYDD-LBPRGKRZSA-N 1 2 249.358 2.529 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC(C)=C(C)C ZINC000635984215 346138236 /nfs/dbraw/zinc/13/82/36/346138236.db2.gz RDTJCJTYLYUVAL-LBPRGKRZSA-N 1 2 249.358 2.827 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC(C)=C(C)C ZINC000635984213 346138265 /nfs/dbraw/zinc/13/82/65/346138265.db2.gz RDTJCJTYLYUVAL-GFCCVEGCSA-N 1 2 249.358 2.827 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2COc3ccc(C)cc32)o1 ZINC000628228857 346177940 /nfs/dbraw/zinc/17/79/40/346177940.db2.gz CCSRDTHBGHCPOM-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO Cc1[nH+]cccc1NCc1cnc(C2CC2)o1 ZINC000628230009 346179467 /nfs/dbraw/zinc/17/94/67/346179467.db2.gz PNHZZNLKOKBUBW-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cc1[nH]c(CN(C)[C@H](C)c2ccccn2)[nH+]c1C ZINC000628234720 346187945 /nfs/dbraw/zinc/18/79/45/346187945.db2.gz LBPUBCHHROZTHD-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1c[nH]c(CN2CCc3c2cccc3Cl)[nH+]1 ZINC000628236042 346189513 /nfs/dbraw/zinc/18/95/13/346189513.db2.gz NPUMLPYJHQYJTQ-UHFFFAOYSA-N 1 2 247.729 2.934 20 0 BFADLO CCc1cc(N(C)CC(C)(C)C)nc[nH+]1 ZINC000603391455 349943758 /nfs/dbraw/zinc/94/37/58/349943758.db2.gz ZYISZNGIISNPKX-UHFFFAOYSA-N 1 2 207.321 2.521 20 0 BFADLO C/C=C\C[C@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000626162349 346272878 /nfs/dbraw/zinc/27/28/78/346272878.db2.gz SOQLZGQSFQKIIB-MVZIDQBPSA-N 1 2 235.331 2.556 20 0 BFADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000626162349 346272882 /nfs/dbraw/zinc/27/28/82/346272882.db2.gz SOQLZGQSFQKIIB-MVZIDQBPSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1noc(C[NH2+]C(C)(C)c2cccc(C)c2)n1 ZINC000271841515 179027992 /nfs/dbraw/zinc/02/79/92/179027992.db2.gz VYDOTRYQUMNYND-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cc1cccc(C)c1OCc1c[nH+]cn1C ZINC000000004150 179048117 /nfs/dbraw/zinc/04/81/17/179048117.db2.gz POZGAPSAVKHRDG-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO O=C(CC1CCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000336383950 187367442 /nfs/dbraw/zinc/36/74/42/187367442.db2.gz FMJKOOYKCQVSET-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cnns2)c1C ZINC000295235859 179068567 /nfs/dbraw/zinc/06/85/67/179068567.db2.gz UDZMDXHNRCLCHT-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cnns2)c1C ZINC000295235859 179068571 /nfs/dbraw/zinc/06/85/71/179068571.db2.gz UDZMDXHNRCLCHT-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1csc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679220863 488319459 /nfs/dbraw/zinc/31/94/59/488319459.db2.gz JYIAQFVCXSSWJN-SCZZXKLOSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1csc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679220863 488319460 /nfs/dbraw/zinc/31/94/60/488319460.db2.gz JYIAQFVCXSSWJN-SCZZXKLOSA-N 1 2 228.336 2.631 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccncc1 ZINC000641791369 362731506 /nfs/dbraw/zinc/73/15/06/362731506.db2.gz HKWNGRQAVWTXSX-WCBMZHEXSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)C(F)F ZINC000641793617 362736141 /nfs/dbraw/zinc/73/61/41/362736141.db2.gz LZYUONOKMBMOEG-LURJTMIESA-N 1 2 232.299 2.764 20 0 BFADLO CCn1c[nH+]cc1[C@H]1CCCCN1CC(F)F ZINC000603413862 349963211 /nfs/dbraw/zinc/96/32/11/349963211.db2.gz GBQPQTVDDDWHAM-SNVBAGLBSA-N 1 2 243.301 2.695 20 0 BFADLO Cc1cccc(C[NH2+]Cc2nccs2)c1F ZINC000296545983 179095631 /nfs/dbraw/zinc/09/56/31/179095631.db2.gz UDSXBUHJDVJHEG-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CCSCCCNc1[nH+]cccc1OC ZINC000300785906 346511917 /nfs/dbraw/zinc/51/19/17/346511917.db2.gz WWCJSERIFONXMQ-UHFFFAOYSA-N 1 2 226.345 2.645 20 0 BFADLO CO[C@@H](CC(C)C)C[N@H+](C)Cc1cscn1 ZINC000419207271 192103450 /nfs/dbraw/zinc/10/34/50/192103450.db2.gz MEQGDWVTIAYALD-LBPRGKRZSA-N 1 2 242.388 2.636 20 0 BFADLO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1cscn1 ZINC000419207271 192103451 /nfs/dbraw/zinc/10/34/51/192103451.db2.gz MEQGDWVTIAYALD-LBPRGKRZSA-N 1 2 242.388 2.636 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C2CC2)cs1 ZINC000047921783 346533789 /nfs/dbraw/zinc/53/37/89/346533789.db2.gz BHULUBFXIGBZCR-UHFFFAOYSA-N 1 2 210.346 2.861 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C2CC2)cs1 ZINC000047921783 346533791 /nfs/dbraw/zinc/53/37/91/346533791.db2.gz BHULUBFXIGBZCR-UHFFFAOYSA-N 1 2 210.346 2.861 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631157587 346536947 /nfs/dbraw/zinc/53/69/47/346536947.db2.gz NXONEDSVEFAWGP-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2C)C(=O)OC ZINC000577144211 365835776 /nfs/dbraw/zinc/83/57/76/365835776.db2.gz LGBZQYQRKNVQLK-UONOGXRCSA-N 1 2 247.338 2.524 20 0 BFADLO CC(=O)CSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000188045782 346711080 /nfs/dbraw/zinc/71/10/80/346711080.db2.gz HUVFGNWDGBUVIR-UHFFFAOYSA-N 1 2 246.335 2.695 20 0 BFADLO CC[C@H](CC(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000308095212 346758223 /nfs/dbraw/zinc/75/82/23/346758223.db2.gz ZIZVBXZUUUNCSE-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1F ZINC000294301921 179157134 /nfs/dbraw/zinc/15/71/34/179157134.db2.gz ZVZSJHYKAHUUDO-NSHDSACASA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cccc(OCCNc2cccc[nH+]2)c1 ZINC000019777111 179169474 /nfs/dbraw/zinc/16/94/74/179169474.db2.gz RPPDXKAWMWXOJK-UHFFFAOYSA-N 1 2 228.295 2.881 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2N)cc1F ZINC000020585654 346786534 /nfs/dbraw/zinc/78/65/34/346786534.db2.gz SVBYGUMBLHAPDK-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2nccn2C)c1 ZINC000270524416 179178230 /nfs/dbraw/zinc/17/82/30/179178230.db2.gz BEEXNGLGDGVHKR-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2nccn2C)c1 ZINC000270524416 179178233 /nfs/dbraw/zinc/17/82/33/179178233.db2.gz BEEXNGLGDGVHKR-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cnc(C[NH+]2CCC(F)(F)CC2)s1 ZINC000684624829 488334414 /nfs/dbraw/zinc/33/44/14/488334414.db2.gz XXYBUGRCVMRKNU-UHFFFAOYSA-N 1 2 232.299 2.683 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccnc1 ZINC000624148246 347265730 /nfs/dbraw/zinc/26/57/30/347265730.db2.gz ZCFKPJWQFFUJLW-VIFPVBQESA-N 1 2 214.259 2.778 20 0 BFADLO CCC(F)(F)CN[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000624148968 347282106 /nfs/dbraw/zinc/28/21/06/347282106.db2.gz SFFSWLSXWJBXFW-BDAKNGLRSA-N 1 2 229.274 2.524 20 0 BFADLO CCC(F)(F)CN[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000624148970 347282201 /nfs/dbraw/zinc/28/22/01/347282201.db2.gz SFFSWLSXWJBXFW-IUCAKERBSA-N 1 2 229.274 2.524 20 0 BFADLO Cc1cc(NC(=O)Cc2cccc(F)c2)cc[nH+]1 ZINC000072709925 347284022 /nfs/dbraw/zinc/28/40/22/347284022.db2.gz RUTLDLFRBKVBEA-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO CC[N@H+](Cc1cocn1)[C@@H](C)c1cccc(O)c1 ZINC000191933951 347363240 /nfs/dbraw/zinc/36/32/40/347363240.db2.gz KVEHHRJHXMXYMA-NSHDSACASA-N 1 2 246.310 2.963 20 0 BFADLO CC[N@@H+](Cc1cocn1)[C@@H](C)c1cccc(O)c1 ZINC000191933951 347363241 /nfs/dbraw/zinc/36/32/41/347363241.db2.gz KVEHHRJHXMXYMA-NSHDSACASA-N 1 2 246.310 2.963 20 0 BFADLO CC(C)CCCCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616921290 347450019 /nfs/dbraw/zinc/45/00/19/347450019.db2.gz LVPDEUDCMOBBBD-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CC(C)CCCCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616921290 347450023 /nfs/dbraw/zinc/45/00/23/347450023.db2.gz LVPDEUDCMOBBBD-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO Cc1ccccc1-c1cc(-n2cc[nH+]c2)ncn1 ZINC000004239454 179236069 /nfs/dbraw/zinc/23/60/69/179236069.db2.gz UZDAOZILIXYPGX-UHFFFAOYSA-N 1 2 236.278 2.638 20 0 BFADLO CC[C@@H](C)[C@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000035044614 358452998 /nfs/dbraw/zinc/45/29/98/358452998.db2.gz ODZNFPUFCDFUKE-RISCZKNCSA-N 1 2 249.354 2.672 20 0 BFADLO CC(C)CC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCC1 ZINC000616926716 347458907 /nfs/dbraw/zinc/45/89/07/347458907.db2.gz NGNDXFKZDSIISK-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CC(C)CC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCC1 ZINC000616926716 347458908 /nfs/dbraw/zinc/45/89/08/347458908.db2.gz NGNDXFKZDSIISK-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc(C)c(NC(=O)C23CC(C2)C3)c(C)[nH+]1 ZINC000636581778 347519315 /nfs/dbraw/zinc/51/93/15/347519315.db2.gz KUNIMQGFAHZFAK-UHFFFAOYSA-N 1 2 230.311 2.745 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccncc1 ZINC000161135209 323149062 /nfs/dbraw/zinc/14/90/62/323149062.db2.gz AMRUTCZICQIMRE-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccccc1C ZINC000294668749 179262911 /nfs/dbraw/zinc/26/29/11/179262911.db2.gz AIGHXJVBYNTFJE-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccccc1C ZINC000294668749 179262912 /nfs/dbraw/zinc/26/29/12/179262912.db2.gz AIGHXJVBYNTFJE-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1ccccc1CC[N@@H+](C)Cc1csnn1 ZINC000295052619 179263905 /nfs/dbraw/zinc/26/39/05/179263905.db2.gz FWTRJVRSNNHMOQ-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1ccccc1CC[N@H+](C)Cc1csnn1 ZINC000295052619 179263908 /nfs/dbraw/zinc/26/39/08/179263908.db2.gz FWTRJVRSNNHMOQ-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccccc1C ZINC000290464279 179269613 /nfs/dbraw/zinc/26/96/13/179269613.db2.gz PRHKJAUGGRXNTD-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccccc1C ZINC000290464279 179269616 /nfs/dbraw/zinc/26/96/16/179269616.db2.gz PRHKJAUGGRXNTD-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cc(C[N@@H+]2CCCc3sccc3C2)no1 ZINC000592985782 347836885 /nfs/dbraw/zinc/83/68/85/347836885.db2.gz ZKBIQZAUXALURV-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1cc(C[N@H+]2CCCc3sccc3C2)no1 ZINC000592985782 347836886 /nfs/dbraw/zinc/83/68/86/347836886.db2.gz ZKBIQZAUXALURV-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@H]2SC)c1 ZINC000593697852 347930112 /nfs/dbraw/zinc/93/01/12/347930112.db2.gz OAMAVQLVYWATSR-WDEREUQCSA-N 1 2 238.356 2.534 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@@H]1SC ZINC000593680428 347932179 /nfs/dbraw/zinc/93/21/79/347932179.db2.gz VULRYTZPMGAVLN-PWSUYJOCSA-N 1 2 222.357 2.950 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@H]1SC ZINC000593680429 347932335 /nfs/dbraw/zinc/93/23/35/347932335.db2.gz VULRYTZPMGAVLN-ZYHUDNBSSA-N 1 2 222.357 2.950 20 0 BFADLO Cc1ccc2c(c1)CCN2CCCn1cc[nH+]c1 ZINC000202299881 347999875 /nfs/dbraw/zinc/99/98/75/347999875.db2.gz FHMDPZPODKNXTC-UHFFFAOYSA-N 1 2 241.338 2.644 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)CSCCF ZINC000595030318 348174709 /nfs/dbraw/zinc/17/47/09/348174709.db2.gz QDYHJRYNHWYICU-VIFPVBQESA-N 1 2 244.335 2.593 20 0 BFADLO Cc1ccc[nH+]c1CCCNc1nccnc1C ZINC000294931541 179367948 /nfs/dbraw/zinc/36/79/48/179367948.db2.gz HKLMEJSNCYYZPT-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO COC(=O)C[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595285876 348212409 /nfs/dbraw/zinc/21/24/09/348212409.db2.gz AUDQBTAQOOYZOD-UHFFFAOYSA-N 1 2 249.354 2.589 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000595285876 348212410 /nfs/dbraw/zinc/21/24/10/348212410.db2.gz AUDQBTAQOOYZOD-UHFFFAOYSA-N 1 2 249.354 2.589 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCOCC1CCC1 ZINC000419295053 192118590 /nfs/dbraw/zinc/11/85/90/192118590.db2.gz PVTFLPLQQZZULZ-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCOCC1CCC1 ZINC000419295053 192118591 /nfs/dbraw/zinc/11/85/91/192118591.db2.gz PVTFLPLQQZZULZ-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO CC[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000419285134 192122965 /nfs/dbraw/zinc/12/29/65/192122965.db2.gz DEQHZDYJJDBHFW-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000419285134 192122967 /nfs/dbraw/zinc/12/29/67/192122967.db2.gz DEQHZDYJJDBHFW-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419360669 192127011 /nfs/dbraw/zinc/12/70/11/192127011.db2.gz SGDLEYQQEZWXMG-MNOVXSKESA-N 1 2 247.338 2.776 20 0 BFADLO CC[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000419285136 192123860 /nfs/dbraw/zinc/12/38/60/192123860.db2.gz DEQHZDYJJDBHFW-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000419285136 192123862 /nfs/dbraw/zinc/12/38/62/192123862.db2.gz DEQHZDYJJDBHFW-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H]2CC[C@H](O)C2)c1Cl ZINC000336495863 179446712 /nfs/dbraw/zinc/44/67/12/179446712.db2.gz JDYVWADMBAZNPY-ZJUUUORDSA-N 1 2 240.734 2.616 20 0 BFADLO CO[C@H](CSCCn1cc[nH+]c1)CC(C)C ZINC000419628638 192144496 /nfs/dbraw/zinc/14/44/96/192144496.db2.gz KFEYIBGEFOFHBV-LBPRGKRZSA-N 1 2 242.388 2.677 20 0 BFADLO Cc1cn2cc(NC(=O)C3CC=CC3)ccc2[nH+]1 ZINC000265800521 179568217 /nfs/dbraw/zinc/56/82/17/179568217.db2.gz QPYKXWSWUGXEMM-UHFFFAOYSA-N 1 2 241.294 2.547 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3ccsc3C2)o1 ZINC000132745760 179597484 /nfs/dbraw/zinc/59/74/84/179597484.db2.gz NFGKXACCFZMSBR-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3ccsc3C2)o1 ZINC000132745760 179597485 /nfs/dbraw/zinc/59/74/85/179597485.db2.gz NFGKXACCFZMSBR-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CCc1cc(NCCSC(C)C)nc[nH+]1 ZINC000308817204 348709698 /nfs/dbraw/zinc/70/96/98/348709698.db2.gz POVQYGXYEQNTGI-UHFFFAOYSA-N 1 2 225.361 2.593 20 0 BFADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)C[C@@H]1C ZINC000082835677 348825511 /nfs/dbraw/zinc/82/55/11/348825511.db2.gz WVHBSODTRPMWER-VGMNWLOBSA-N 1 2 209.255 2.963 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC(C)(C)C1 ZINC000120865073 179707788 /nfs/dbraw/zinc/70/77/88/179707788.db2.gz COJZUJHJYMGMRI-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1ccsc1 ZINC000107292137 179708456 /nfs/dbraw/zinc/70/84/56/179708456.db2.gz GHEBSRZIQJGRNO-UHFFFAOYSA-N 1 2 232.308 2.633 20 0 BFADLO COC(=O)CC1(C[N@H+](C)c2ccccc2C)CC1 ZINC000598798323 349046024 /nfs/dbraw/zinc/04/60/24/349046024.db2.gz ZXTUQRZIPWGFMJ-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO COC(=O)CC1(C[N@@H+](C)c2ccccc2C)CC1 ZINC000598798323 349046026 /nfs/dbraw/zinc/04/60/26/349046026.db2.gz ZXTUQRZIPWGFMJ-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO Cc1csc(C[NH2+]Cc2ccc(Cl)o2)n1 ZINC000037988467 179777839 /nfs/dbraw/zinc/77/78/39/179777839.db2.gz LRQLWMWUIYTWPR-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(=O)OC)c1cc(C)ccc1C ZINC000599641186 349238556 /nfs/dbraw/zinc/23/85/56/349238556.db2.gz QVFFVZLIFVCIAN-OCCSQVGLSA-N 1 2 249.354 2.906 20 0 BFADLO CCCc1nc(C[N@H+](CC)CC(C)C)no1 ZINC000055058784 349251422 /nfs/dbraw/zinc/25/14/22/349251422.db2.gz WLKPESRQMQNJNO-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](CC)CC(C)C)no1 ZINC000055058784 349251427 /nfs/dbraw/zinc/25/14/27/349251427.db2.gz WLKPESRQMQNJNO-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785468 350032988 /nfs/dbraw/zinc/03/29/88/350032988.db2.gz PSPRJFJZEWIBDU-UHFFFAOYSA-N 1 2 231.299 2.853 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@@H](F)C2)[nH+]1 ZINC000336514134 180024197 /nfs/dbraw/zinc/02/41/97/180024197.db2.gz INWXCOINYUXOON-RKDXNWHRSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC(C3CC3)CC2)no1 ZINC000366397322 180032477 /nfs/dbraw/zinc/03/24/77/180032477.db2.gz BOHDIJAUUPONPI-SECBINFHSA-N 1 2 235.331 2.561 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CCCC(C)(C)C2)no1 ZINC000336560915 180035544 /nfs/dbraw/zinc/03/55/44/180035544.db2.gz ICAXLHBUBNVORE-SECBINFHSA-N 1 2 223.320 2.561 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CCCC(C)(C)C2)no1 ZINC000336560915 180035546 /nfs/dbraw/zinc/03/55/46/180035546.db2.gz ICAXLHBUBNVORE-SECBINFHSA-N 1 2 223.320 2.561 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000377878488 180047565 /nfs/dbraw/zinc/04/75/65/180047565.db2.gz JHRVTMLBZSODHE-GXSJLCMTSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000377878488 180047567 /nfs/dbraw/zinc/04/75/67/180047567.db2.gz JHRVTMLBZSODHE-GXSJLCMTSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302107686 180067872 /nfs/dbraw/zinc/06/78/72/180067872.db2.gz SNNVCFINFYLAED-QWRGUYRKSA-N 1 2 245.370 2.756 20 0 BFADLO Cc1[nH]c2cc(Br)c(C)cc2[nH+]1 ZINC000034453664 180076022 /nfs/dbraw/zinc/07/60/22/180076022.db2.gz XPBIPSYSOIKZJG-UHFFFAOYSA-N 1 2 225.089 2.942 20 0 BFADLO Cc1[nH]c2cc(C)c(Br)cc2[nH+]1 ZINC000034453664 180076025 /nfs/dbraw/zinc/07/60/25/180076025.db2.gz XPBIPSYSOIKZJG-UHFFFAOYSA-N 1 2 225.089 2.942 20 0 BFADLO Clc1snnc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000306853708 490342374 /nfs/dbraw/zinc/34/23/74/490342374.db2.gz UDEKFBMALWSMNQ-APPZFPTMSA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000306853708 490342376 /nfs/dbraw/zinc/34/23/76/490342376.db2.gz UDEKFBMALWSMNQ-APPZFPTMSA-N 1 2 243.763 2.566 20 0 BFADLO CC(C)[C@]1(C)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000397222915 350139872 /nfs/dbraw/zinc/13/98/72/350139872.db2.gz LIUMCJCVKSERNG-HQJQHLMTSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@]1(C)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000397222915 350139876 /nfs/dbraw/zinc/13/98/76/350139876.db2.gz LIUMCJCVKSERNG-HQJQHLMTSA-N 1 2 240.738 2.559 20 0 BFADLO Cc1cc2[nH]c([C@H]3CCOC3)[nH+]c2cc1C ZINC000051848165 350161061 /nfs/dbraw/zinc/16/10/61/350161061.db2.gz QODKLKBCLDXIFN-JTQLQIEISA-N 1 2 216.284 2.684 20 0 BFADLO CCS[C@@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000138029129 191042909 /nfs/dbraw/zinc/04/29/09/191042909.db2.gz BRXOTSQAZFSLQY-VIFPVBQESA-N 1 2 243.376 2.724 20 0 BFADLO CCS[C@@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000138029129 191042911 /nfs/dbraw/zinc/04/29/11/191042911.db2.gz BRXOTSQAZFSLQY-VIFPVBQESA-N 1 2 243.376 2.724 20 0 BFADLO Cc1[nH]c(C(=O)NCC2(CC(C)C)CCC2)c[nH+]1 ZINC000331951715 180130699 /nfs/dbraw/zinc/13/06/99/180130699.db2.gz ISCDKBVJCAQMTB-UHFFFAOYSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(Cl)c1 ZINC000335757440 180119814 /nfs/dbraw/zinc/11/98/14/180119814.db2.gz OQDXUIGXBNNXRT-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000331081008 180120607 /nfs/dbraw/zinc/12/06/07/180120607.db2.gz AHVWPHUNSWOGJY-JQWIXIFHSA-N 1 2 249.358 2.551 20 0 BFADLO COc1ccnc(C[N@H+](C)C(C2CC2)C2CC2)c1 ZINC000106933863 191068764 /nfs/dbraw/zinc/06/87/64/191068764.db2.gz BDLKXODNROSKKJ-UHFFFAOYSA-N 1 2 246.354 2.711 20 0 BFADLO COc1ccnc(C[N@@H+](C)C(C2CC2)C2CC2)c1 ZINC000106933863 191068768 /nfs/dbraw/zinc/06/87/68/191068768.db2.gz BDLKXODNROSKKJ-UHFFFAOYSA-N 1 2 246.354 2.711 20 0 BFADLO CC[C@H](C)Nc1nc(C)[nH+]c(N[C@@H](C)CC)n1 ZINC000002034644 350184582 /nfs/dbraw/zinc/18/45/82/350184582.db2.gz LEJRMZKSZMTMLO-IUCAKERBSA-N 1 2 237.351 2.601 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CO[C@H](C)C1 ZINC000402363883 350217802 /nfs/dbraw/zinc/21/78/02/350217802.db2.gz DUYMOFKKXCAXPZ-DGCLKSJQSA-N 1 2 242.322 2.554 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000272917547 180195217 /nfs/dbraw/zinc/19/52/17/180195217.db2.gz PLQHUSCAPXUGSC-CYZMBNFOSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1nc(NCCO[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000266361015 180198171 /nfs/dbraw/zinc/19/81/71/180198171.db2.gz KPNYDVBXWDUZAQ-AAEUAGOBSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1nc(NCCOC2CCCCC2)cc[nH+]1 ZINC000111639413 180198799 /nfs/dbraw/zinc/19/87/99/180198799.db2.gz ITYIEFIYHRDMCI-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1nc(NC[C@@H]2CCCO[C@@H]2C(C)C)cc[nH+]1 ZINC000174933466 180200307 /nfs/dbraw/zinc/20/03/07/180200307.db2.gz OIESSWJYGKMRTB-GXTWGEPZSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1cnc([C@@H](C)CNc2cc[nH+]c(C)n2)s1 ZINC000182752963 180201550 /nfs/dbraw/zinc/20/15/50/180201550.db2.gz NGYBJGQTBHTIOD-QMMMGPOBSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1nc(NC[C@]2(O)CCCC(C)(C)C2)cc[nH+]1 ZINC000302516938 180201680 /nfs/dbraw/zinc/20/16/80/180201680.db2.gz VSJQURCRTSKIHL-AWEZNQCLSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1nc(N[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000054935797 180205122 /nfs/dbraw/zinc/20/51/22/180205122.db2.gz HOWUGPNFNGZOHV-KOLCDFICSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@H]2CCO[C@H](CC(C)C)C2)cc[nH+]1 ZINC000272009795 180207668 /nfs/dbraw/zinc/20/76/68/180207668.db2.gz MQCKHCGDTYGVKI-QWHCGFSZSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@H]2C[C@@H]2Cc2ccccc2)cc[nH+]1 ZINC000361096630 180208189 /nfs/dbraw/zinc/20/81/89/180208189.db2.gz MORRLQSPQXUEQJ-KBPBESRZSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1nc(N[C@@H](C)c2c(F)cccc2F)cc[nH+]1 ZINC000360956878 180181024 /nfs/dbraw/zinc/18/10/24/180181024.db2.gz WYAHPAKJSLIFJI-QMMMGPOBSA-N 1 2 249.264 2.658 20 0 BFADLO Cc1ccc(CC[C@@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000361289119 180181851 /nfs/dbraw/zinc/18/18/51/180181851.db2.gz ODWFRWSSARQUOQ-SNVBAGLBSA-N 1 2 245.326 2.542 20 0 BFADLO Cc1nc(N[C@H](C)c2c(F)cccc2F)cc[nH+]1 ZINC000360956877 180181958 /nfs/dbraw/zinc/18/19/58/180181958.db2.gz WYAHPAKJSLIFJI-MRVPVSSYSA-N 1 2 249.264 2.658 20 0 BFADLO Cc1[nH+]cccc1NCc1cncc(F)c1 ZINC000309879591 180225848 /nfs/dbraw/zinc/22/58/48/180225848.db2.gz UWIIOTUDOXYVDI-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1[nH+]cccc1NCc1cnc([C@H](C)O)s1 ZINC000289970621 180226748 /nfs/dbraw/zinc/22/67/48/180226748.db2.gz BQFYBWNCPAAIRZ-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CCOC2(CCC2)C1 ZINC000295629476 180228466 /nfs/dbraw/zinc/22/84/66/180228466.db2.gz HNQSCNKDEWSJOG-LBPRGKRZSA-N 1 2 232.327 2.904 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccsc2Cl)no1 ZINC000309168867 323322491 /nfs/dbraw/zinc/32/24/91/323322491.db2.gz KJCCZHHHCICHMG-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccco1)CCO2 ZINC000426520230 191095900 /nfs/dbraw/zinc/09/59/00/191095900.db2.gz CLYAQJMJKPCEHW-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1ccco1)CCO2 ZINC000426520230 191095901 /nfs/dbraw/zinc/09/59/01/191095901.db2.gz CLYAQJMJKPCEHW-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Cc1ncsc1CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353167523 180309955 /nfs/dbraw/zinc/30/99/55/180309955.db2.gz GAHUPTGBYPCNHW-SECBINFHSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353167523 180309957 /nfs/dbraw/zinc/30/99/57/180309957.db2.gz GAHUPTGBYPCNHW-SECBINFHSA-N 1 2 246.326 2.724 20 0 BFADLO CCCN(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581523 350373490 /nfs/dbraw/zinc/37/34/90/350373490.db2.gz HAAUVJGDBKJAGV-UHFFFAOYSA-N 1 2 246.314 2.598 20 0 BFADLO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC(F)F ZINC000297564378 180332870 /nfs/dbraw/zinc/33/28/70/180332870.db2.gz BJFPCGCQEFDCLU-UHFFFAOYSA-N 1 2 245.317 2.610 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000179568774 180317703 /nfs/dbraw/zinc/31/77/03/180317703.db2.gz FLDIKJHWWGVABW-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncsc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000179568774 180317705 /nfs/dbraw/zinc/31/77/05/180317705.db2.gz FLDIKJHWWGVABW-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO CCc1cc(NCc2ccc(C)cc2)nc[nH+]1 ZINC000040765062 350394380 /nfs/dbraw/zinc/39/43/80/350394380.db2.gz WYLCCNZJKFDRTM-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CCc1cc(NC2CCCCC2)nc[nH+]1 ZINC000040764991 350394444 /nfs/dbraw/zinc/39/44/44/350394444.db2.gz OEJZTFXZBRLAIV-UHFFFAOYSA-N 1 2 205.305 2.784 20 0 BFADLO CCc1cc(N[C@H](C)c2cccnc2)nc[nH+]1 ZINC000040765106 350394544 /nfs/dbraw/zinc/39/45/44/350394544.db2.gz XQMAJVIXPGANTA-SNVBAGLBSA-N 1 2 228.299 2.607 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000328325230 350394641 /nfs/dbraw/zinc/39/46/41/350394641.db2.gz GCTLUHNKCGGDLT-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768806 323345210 /nfs/dbraw/zinc/34/52/10/323345210.db2.gz MTWCFCQNWKWQPP-KXUCPTDWSA-N 1 2 237.347 2.911 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547768806 323345217 /nfs/dbraw/zinc/34/52/17/323345217.db2.gz MTWCFCQNWKWQPP-KXUCPTDWSA-N 1 2 237.347 2.911 20 0 BFADLO C[C@@H]1CC[C@H](CNc2[nH+]cnc(N)c2Cl)C1 ZINC000300345802 490557134 /nfs/dbraw/zinc/55/71/34/490557134.db2.gz KRKLJKRLKAGYOG-SFYZADRCSA-N 1 2 240.738 2.560 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1nccs1 ZINC000134966331 191108965 /nfs/dbraw/zinc/10/89/65/191108965.db2.gz NRGAXTDYDOXVRT-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1nccs1 ZINC000134966331 191108968 /nfs/dbraw/zinc/10/89/68/191108968.db2.gz NRGAXTDYDOXVRT-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1[nH+]c2cccc(F)c2n1C ZINC000443516666 191109070 /nfs/dbraw/zinc/10/90/70/191109070.db2.gz GSMOSFWCMLUYMA-VHSXEESVSA-N 1 2 247.317 2.947 20 0 BFADLO CC=CC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000051224489 350616447 /nfs/dbraw/zinc/61/64/47/350616447.db2.gz PRARPCZUZKFLRX-ICWBMWKASA-N 1 2 241.294 2.942 20 0 BFADLO CC(C)=CCNc1cc[nH+]c(C(C)C)n1 ZINC000302703787 191120946 /nfs/dbraw/zinc/12/09/46/191120946.db2.gz IUGLHQIJLQQOOQ-UHFFFAOYSA-N 1 2 205.305 2.978 20 0 BFADLO Cc1noc([C@H](C)[NH2+]C/C=C/c2ccccc2)n1 ZINC000356914744 180498701 /nfs/dbraw/zinc/49/87/01/180498701.db2.gz JDDRFAJJVYKZTA-LAHYYIKRSA-N 1 2 243.310 2.742 20 0 BFADLO Cc1nc(C)c(C[NH2+]Cc2ccc(C)c(C)n2)o1 ZINC000628308251 350783075 /nfs/dbraw/zinc/78/30/75/350783075.db2.gz CZHXVTYVONYFGS-UHFFFAOYSA-N 1 2 245.326 2.593 20 0 BFADLO CCc1nc(C)c(C[NH2+]Cc2occc2C)o1 ZINC000291791024 350960412 /nfs/dbraw/zinc/96/04/12/350960412.db2.gz WGIYONXGFMQDDS-UHFFFAOYSA-N 1 2 234.299 2.737 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccon1 ZINC000607151482 351029769 /nfs/dbraw/zinc/02/97/69/351029769.db2.gz LYVMNKJDJLAFTN-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccon1 ZINC000607151482 351029772 /nfs/dbraw/zinc/02/97/72/351029772.db2.gz LYVMNKJDJLAFTN-LLVKDONJSA-N 1 2 244.294 2.630 20 0 BFADLO CC(C)[N@H+](C)Cc1ncc(Br)s1 ZINC000307267855 191131224 /nfs/dbraw/zinc/13/12/24/191131224.db2.gz FKEOVZOYGOMIEF-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO CC(C)[N@@H+](C)Cc1ncc(Br)s1 ZINC000307267855 191131225 /nfs/dbraw/zinc/13/12/25/191131225.db2.gz FKEOVZOYGOMIEF-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)C(C)C ZINC000265213899 351265022 /nfs/dbraw/zinc/26/50/22/351265022.db2.gz MEAZZUHNTWKCPS-SNVBAGLBSA-N 1 2 220.316 2.875 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1c(C)noc1C ZINC000264973335 351260631 /nfs/dbraw/zinc/26/06/31/351260631.db2.gz DZHQYTLBLDJAMR-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC1CCC1 ZINC000266356004 351290088 /nfs/dbraw/zinc/29/00/88/351290088.db2.gz YMMQHFYJYGNTGL-UHFFFAOYSA-N 1 2 218.300 2.773 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC1(C)C ZINC000269875463 351369154 /nfs/dbraw/zinc/36/91/54/351369154.db2.gz NQKOVTXXJAAFFA-SNVBAGLBSA-N 1 2 218.300 2.629 20 0 BFADLO CC[N@H+](Cc1nccs1)Cc1ccncc1 ZINC000271029955 351395525 /nfs/dbraw/zinc/39/55/25/351395525.db2.gz QCNHGOZXYVEFSP-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1nccs1)Cc1ccncc1 ZINC000271029955 351395530 /nfs/dbraw/zinc/39/55/30/351395530.db2.gz QCNHGOZXYVEFSP-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO Clc1cccc2c1CCN(Cc1[nH]cc[nH+]1)C2 ZINC000133826077 180591952 /nfs/dbraw/zinc/59/19/52/180591952.db2.gz DZQUEQUKLXWYLC-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CS[C@H](C)C2)c1 ZINC000232073015 351657210 /nfs/dbraw/zinc/65/72/10/351657210.db2.gz JKHSHSSRPNLQAY-MWLCHTKSSA-N 1 2 208.330 2.696 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830678 351679628 /nfs/dbraw/zinc/67/96/28/351679628.db2.gz ZPVPBMUNYAGUMD-PWSUYJOCSA-N 1 2 247.342 2.649 20 0 BFADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000036982228 358466055 /nfs/dbraw/zinc/46/60/55/358466055.db2.gz OWAPIXZDIVUQGJ-NSHDSACASA-N 1 2 231.343 2.892 20 0 BFADLO Cc1nc(N2Cc3ccccc3C2)c(C)c(C)[nH+]1 ZINC000177825358 366065254 /nfs/dbraw/zinc/06/52/54/366065254.db2.gz OZMDVOFLPDYNMU-UHFFFAOYSA-N 1 2 239.322 2.922 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)sn1 ZINC000277603135 351716067 /nfs/dbraw/zinc/71/60/67/351716067.db2.gz MTRDZBDBJWAQSC-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO C[C@H](c1ccco1)[N@H+](C)Cc1ccns1 ZINC000637901539 351771741 /nfs/dbraw/zinc/77/17/41/351771741.db2.gz GIWPEJROVIGGEW-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccns1 ZINC000637901539 351771743 /nfs/dbraw/zinc/77/17/43/351771743.db2.gz GIWPEJROVIGGEW-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO CC[C@@H](C)[C@H](C[N@H+](C)Cc1cscn1)OC ZINC000637974171 351849515 /nfs/dbraw/zinc/84/95/15/351849515.db2.gz RCUZXVIEVCBQJR-PWSUYJOCSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1cscn1)OC ZINC000637974171 351849516 /nfs/dbraw/zinc/84/95/16/351849516.db2.gz RCUZXVIEVCBQJR-PWSUYJOCSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@H+](CC(F)F)C1CC1)OC ZINC000638056576 351932396 /nfs/dbraw/zinc/93/23/96/351932396.db2.gz RHHGNTUPZBMPFI-MWLCHTKSSA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@@H+](CC(F)F)C1CC1)OC ZINC000638056576 351932400 /nfs/dbraw/zinc/93/24/00/351932400.db2.gz RHHGNTUPZBMPFI-MWLCHTKSSA-N 1 2 235.318 2.777 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCOCC2)cc1Cl ZINC000335940652 538101848 /nfs/dbraw/zinc/10/18/48/538101848.db2.gz XGWQNMSMKLAQFT-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1ccc(C[N@H+]2CCCOCC2)cc1Cl ZINC000335940652 538101850 /nfs/dbraw/zinc/10/18/50/538101850.db2.gz XGWQNMSMKLAQFT-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876144 191150192 /nfs/dbraw/zinc/15/01/92/191150192.db2.gz GPKOMLNCMUWZDO-FZMZJTMJSA-N 1 2 243.310 2.709 20 0 BFADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)[C@@H]1C1CC1 ZINC000290702286 352236854 /nfs/dbraw/zinc/23/68/54/352236854.db2.gz NOWVESQKBQXMRH-CYBMUJFWSA-N 1 2 243.354 2.979 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@@H](C)c2cc(C)on2)o1 ZINC000291893739 352293069 /nfs/dbraw/zinc/29/30/69/352293069.db2.gz KXTWIXGWQBZICH-VIFPVBQESA-N 1 2 249.314 2.693 20 0 BFADLO CC[C@@H]([NH2+]Cc1occc1C)c1nccn1C ZINC000293741781 352360513 /nfs/dbraw/zinc/36/05/13/352360513.db2.gz QRZSILYKSNNWOO-LLVKDONJSA-N 1 2 233.315 2.562 20 0 BFADLO Cn1cc[nH+]c1CSc1nc2ccccc2[nH]1 ZINC000048872339 352594266 /nfs/dbraw/zinc/59/42/66/352594266.db2.gz RKLDJJVKVUNRKI-UHFFFAOYSA-N 1 2 244.323 2.589 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000608055938 352651467 /nfs/dbraw/zinc/65/14/67/352651467.db2.gz RIVOEDMTMIVMDL-UHFFFAOYSA-N 1 2 229.327 2.652 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC(C)C)c1cc(C)cc(C)c1 ZINC000043394938 352637188 /nfs/dbraw/zinc/63/71/88/352637188.db2.gz NCCMKBCGHLWSAJ-AWEZNQCLSA-N 1 2 249.354 2.763 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)c[nH+]1 ZINC000638761798 352699256 /nfs/dbraw/zinc/69/92/56/352699256.db2.gz KTFTYVSNWOCEPS-WCBMZHEXSA-N 1 2 212.243 2.846 20 0 BFADLO CC[N@H+](Cc1cc(C)n(C)n1)Cc1occc1C ZINC000412028741 191241372 /nfs/dbraw/zinc/24/13/72/191241372.db2.gz SNBNKBILQLCSRU-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO CC[N@@H+](Cc1cc(C)n(C)n1)Cc1occc1C ZINC000412028741 191241374 /nfs/dbraw/zinc/24/13/74/191241374.db2.gz SNBNKBILQLCSRU-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCF)C2 ZINC000411935316 191231077 /nfs/dbraw/zinc/23/10/77/191231077.db2.gz FWJYPUIZAYDQTP-UHFFFAOYSA-N 1 2 221.275 2.564 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@H+](CCCF)C2 ZINC000411935316 191231079 /nfs/dbraw/zinc/23/10/79/191231079.db2.gz FWJYPUIZAYDQTP-UHFFFAOYSA-N 1 2 221.275 2.564 20 0 BFADLO C[C@@H]1C[C@H]1N(Cc1[nH+]ccn1C)c1ccccc1 ZINC000411925732 191231971 /nfs/dbraw/zinc/23/19/71/191231971.db2.gz NXCCFNXQFGSZKY-TZMCWYRMSA-N 1 2 241.338 2.835 20 0 BFADLO CC[C@H](C)[C@H](CNc1ccc[nH+]c1C)OC ZINC000638785855 352741132 /nfs/dbraw/zinc/74/11/32/352741132.db2.gz GTXWINZMJZFDGP-GWCFXTLKSA-N 1 2 222.332 2.863 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC000334174126 352758798 /nfs/dbraw/zinc/75/87/98/352758798.db2.gz BGGXPSCVGJLBLG-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(C3CCCC3)no2)[C@@H]1C ZINC000334174126 352758801 /nfs/dbraw/zinc/75/88/01/352758801.db2.gz BGGXPSCVGJLBLG-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO CC[N@H+](Cc1cc(C)on1)Cc1occc1C ZINC000412037421 191248595 /nfs/dbraw/zinc/24/85/95/191248595.db2.gz IKYAFLIIRZHFCF-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@@H+](Cc1cc(C)on1)Cc1occc1C ZINC000412037421 191248598 /nfs/dbraw/zinc/24/85/98/191248598.db2.gz IKYAFLIIRZHFCF-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C)c2csnn2)c1 ZINC000412043719 191250176 /nfs/dbraw/zinc/25/01/76/191250176.db2.gz QBGLBQPLRLXENZ-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CC[N@H+](Cc1csnn1)C1CC(C)(C)C1 ZINC000412041133 191250288 /nfs/dbraw/zinc/25/02/88/191250288.db2.gz SFUBNRAJECHNTE-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC[N@@H+](Cc1csnn1)C1CC(C)(C)C1 ZINC000412041133 191250290 /nfs/dbraw/zinc/25/02/90/191250290.db2.gz SFUBNRAJECHNTE-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000334194875 352786760 /nfs/dbraw/zinc/78/67/60/352786760.db2.gz LPCAEZJIYPIOKR-MNOVXSKESA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000334194875 352786761 /nfs/dbraw/zinc/78/67/61/352786761.db2.gz LPCAEZJIYPIOKR-MNOVXSKESA-N 1 2 233.302 2.675 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2csnn2)CC12CCC2 ZINC000334249153 352841727 /nfs/dbraw/zinc/84/17/27/352841727.db2.gz YPFLDFZWGRLQFQ-SNVBAGLBSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2csnn2)CC12CCC2 ZINC000334249153 352841730 /nfs/dbraw/zinc/84/17/30/352841730.db2.gz YPFLDFZWGRLQFQ-SNVBAGLBSA-N 1 2 237.372 2.550 20 0 BFADLO Cc1ccc(NC2Cc3ccccc3C2)c[nH+]1 ZINC000154265671 538105769 /nfs/dbraw/zinc/10/57/69/538105769.db2.gz ZGWBYMCKXKFJAQ-UHFFFAOYSA-N 1 2 224.307 2.969 20 0 BFADLO CCc1cc(N[C@H](CC)c2ccncc2)nc[nH+]1 ZINC000608086837 352989363 /nfs/dbraw/zinc/98/93/63/352989363.db2.gz MAEHEWVXRFGVDK-CYBMUJFWSA-N 1 2 242.326 2.997 20 0 BFADLO Cc1cc(CN2CCn3cc[nH+]c3C2)c(C)s1 ZINC000334317429 352948126 /nfs/dbraw/zinc/94/81/26/352948126.db2.gz UVHVTCPSXWFZFX-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1nc(N2C3CCCC2CCC3)cc[nH+]1 ZINC000608090885 353113217 /nfs/dbraw/zinc/11/32/17/353113217.db2.gz QJGFKUOJXJGCMP-UHFFFAOYSA-N 1 2 217.316 2.696 20 0 BFADLO Cc1nccc(C[N@@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000334406976 353088574 /nfs/dbraw/zinc/08/85/74/353088574.db2.gz KKAREIWBPIYYIM-LLVKDONJSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1nccc(C[N@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000334406976 353088576 /nfs/dbraw/zinc/08/85/76/353088576.db2.gz KKAREIWBPIYYIM-LLVKDONJSA-N 1 2 239.322 2.862 20 0 BFADLO C=Cn1cc(C[NH2+][C@H](C)c2ncc(C)s2)cn1 ZINC000194355095 188005744 /nfs/dbraw/zinc/00/57/44/188005744.db2.gz GNKQVDJVLSBRAC-SNVBAGLBSA-N 1 2 248.355 2.599 20 0 BFADLO Cc1ccc(Cl)cc1NCc1c[nH+]c[nH]1 ZINC000054762833 188007779 /nfs/dbraw/zinc/00/77/79/188007779.db2.gz VSIUBRXIZRRQTR-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO Cc1ccc(Cl)cc1NCc1c[nH]c[nH+]1 ZINC000054762833 188007781 /nfs/dbraw/zinc/00/77/81/188007781.db2.gz VSIUBRXIZRRQTR-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO CSc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000267763421 188023689 /nfs/dbraw/zinc/02/36/89/188023689.db2.gz JPONAOHPKGMZLU-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO CC(C)=CCCNC(=O)Nc1cc[nH+]cc1C ZINC000276870215 188029441 /nfs/dbraw/zinc/02/94/41/188029441.db2.gz XXOMVFQKEKXPCO-UHFFFAOYSA-N 1 2 233.315 2.868 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)cc(C)c1 ZINC000278727103 188030896 /nfs/dbraw/zinc/03/08/96/188030896.db2.gz UAVKEXNALUFXPK-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CCC=C(C)C1 ZINC000280817350 188031358 /nfs/dbraw/zinc/03/13/58/188031358.db2.gz MYLHKVOQKPTWGM-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CCC=C(C)C1 ZINC000280817350 188031360 /nfs/dbraw/zinc/03/13/60/188031360.db2.gz MYLHKVOQKPTWGM-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO CCc1ccccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000279297878 188031566 /nfs/dbraw/zinc/03/15/66/188031566.db2.gz ZMKUUQUCWHCIFU-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)[C@@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283014676 188033823 /nfs/dbraw/zinc/03/38/23/188033823.db2.gz NEKLTNDURIXMBG-MNOVXSKESA-N 1 2 237.347 2.515 20 0 BFADLO COc1ccc([C@H](C)[N@H+](C)Cc2cocn2)cc1 ZINC000191924994 188004972 /nfs/dbraw/zinc/00/49/72/188004972.db2.gz STICRZWNDMXAAL-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@H](C)[N@@H+](C)Cc2cocn2)cc1 ZINC000191924994 188004973 /nfs/dbraw/zinc/00/49/73/188004973.db2.gz STICRZWNDMXAAL-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO CC1(C)CCC[C@@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330439155 353172451 /nfs/dbraw/zinc/17/24/51/353172451.db2.gz CPOXDYAZSKPJIG-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO CC1(C)CCC[C@@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330439155 353172453 /nfs/dbraw/zinc/17/24/53/353172453.db2.gz CPOXDYAZSKPJIG-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO CC1=C(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CCC1 ZINC000335314863 535216305 /nfs/dbraw/zinc/21/63/05/535216305.db2.gz KXKCKMSVBBKRSU-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1nc(N(C)[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000360528096 188243189 /nfs/dbraw/zinc/24/31/89/188243189.db2.gz FHEKEEZEFSGRJX-JQWIXIFHSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N(C)Cc2ccc(F)c(F)c2)cc[nH+]1 ZINC000361151632 188243342 /nfs/dbraw/zinc/24/33/42/188243342.db2.gz VDXUBLMAJCGLGR-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCSC1 ZINC000036982128 188286374 /nfs/dbraw/zinc/28/63/74/188286374.db2.gz WTJUHUHUANSADP-GFCCVEGCSA-N 1 2 249.383 2.599 20 0 BFADLO C[C@H]1CCC[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000235660764 188309281 /nfs/dbraw/zinc/30/92/81/188309281.db2.gz SLMYIRKQRIQRTL-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCC[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000235660764 188309283 /nfs/dbraw/zinc/30/92/83/188309283.db2.gz SLMYIRKQRIQRTL-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H](C)C1CC1)C(F)(F)F ZINC000308649154 188340488 /nfs/dbraw/zinc/34/04/88/188340488.db2.gz JJLDBUPQERETCO-CBAPKCEASA-N 1 2 209.255 2.961 20 0 BFADLO CC(C)=CC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116895462 188328505 /nfs/dbraw/zinc/32/85/05/188328505.db2.gz HIHRBDPXNKHGHK-ZDUSSCGKSA-N 1 2 235.327 2.928 20 0 BFADLO CC(C)=CC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000116895462 188328507 /nfs/dbraw/zinc/32/85/07/188328507.db2.gz HIHRBDPXNKHGHK-ZDUSSCGKSA-N 1 2 235.327 2.928 20 0 BFADLO CC(C)[N@H+](CCc1ccccn1)CC(F)F ZINC000135407114 188331986 /nfs/dbraw/zinc/33/19/86/188331986.db2.gz BBLGZOFOTGIGJY-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO CC(C)[N@@H+](CCc1ccccn1)CC(F)F ZINC000135407114 188331988 /nfs/dbraw/zinc/33/19/88/188331988.db2.gz BBLGZOFOTGIGJY-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@H]1CCCOC1)C(F)(F)F ZINC000336727565 188343421 /nfs/dbraw/zinc/34/34/21/188343421.db2.gz CADMMWKVUJRMHB-ZJUUUORDSA-N 1 2 239.281 2.590 20 0 BFADLO CNc1[nH+]cnc2c1cnn2CCCC(C)(C)C ZINC000337239959 188361474 /nfs/dbraw/zinc/36/14/74/188361474.db2.gz ZZVWNIGRRRCBOS-UHFFFAOYSA-N 1 2 247.346 2.694 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000338880210 188366892 /nfs/dbraw/zinc/36/68/92/188366892.db2.gz LJUBDUVPZFIFDE-WOPDTQHZSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)(O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000270675292 188375839 /nfs/dbraw/zinc/37/58/39/188375839.db2.gz SHCYQZIIUPZCCU-UHFFFAOYSA-N 1 2 243.297 2.525 20 0 BFADLO CC(C)(O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000270675292 188375841 /nfs/dbraw/zinc/37/58/41/188375841.db2.gz SHCYQZIIUPZCCU-UHFFFAOYSA-N 1 2 243.297 2.525 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000340018856 188369500 /nfs/dbraw/zinc/36/95/00/188369500.db2.gz ZXSSCFHQJXKJEA-JTQLQIEISA-N 1 2 232.331 2.509 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000340018856 188369501 /nfs/dbraw/zinc/36/95/01/188369501.db2.gz ZXSSCFHQJXKJEA-JTQLQIEISA-N 1 2 232.331 2.509 20 0 BFADLO CC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293553309 188390997 /nfs/dbraw/zinc/39/09/97/188390997.db2.gz ZHMOMWPYNULKSY-UHFFFAOYSA-N 1 2 207.273 2.577 20 0 BFADLO CC(C)(O)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000274663279 188378637 /nfs/dbraw/zinc/37/86/37/188378637.db2.gz FUGCWOMTKSGULI-UHFFFAOYSA-N 1 2 242.322 2.921 20 0 BFADLO CC(C)[C@H](NC(=O)C1CCCCC1)c1[nH]cc[nH+]1 ZINC000276712929 188380441 /nfs/dbraw/zinc/38/04/41/188380441.db2.gz ZQZTXRSUJYKXTB-LBPRGKRZSA-N 1 2 249.358 2.803 20 0 BFADLO CCCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000284219075 188385268 /nfs/dbraw/zinc/38/52/68/188385268.db2.gz AUCRWZQHQBQKCV-SNAWJCMRSA-N 1 2 247.342 2.510 20 0 BFADLO CC(=O)CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287393188 188388189 /nfs/dbraw/zinc/38/81/89/188388189.db2.gz NOWVJZFWXXSQMN-UHFFFAOYSA-N 1 2 223.703 2.635 20 0 BFADLO CC(=O)CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287393188 188388191 /nfs/dbraw/zinc/38/81/91/188388191.db2.gz NOWVJZFWXXSQMN-UHFFFAOYSA-N 1 2 223.703 2.635 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)o1 ZINC000231525485 353618847 /nfs/dbraw/zinc/61/88/47/353618847.db2.gz OWACBEDZNLSYSP-SNVBAGLBSA-N 1 2 220.272 2.735 20 0 BFADLO Fc1cccc(Cn2cc[nH+]c2)c1Cl ZINC000093191460 181000570 /nfs/dbraw/zinc/00/05/70/181000570.db2.gz CTZXQVRXMDYZMZ-UHFFFAOYSA-N 1 2 210.639 2.724 20 0 BFADLO Fc1cccc(F)c1C[NH2+]Cc1ccco1 ZINC000022213673 181000764 /nfs/dbraw/zinc/00/07/64/181000764.db2.gz MQKNTHJRCTZERD-UHFFFAOYSA-N 1 2 223.222 2.848 20 0 BFADLO Fc1ccccc1CNc1cc[nH+]cc1F ZINC000309537062 181012496 /nfs/dbraw/zinc/01/24/96/181012496.db2.gz XFHOZQHZNLGBJM-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO CC1(CNc2nc[nH+]c(N)c2Cl)CCCC1 ZINC000232842548 353792676 /nfs/dbraw/zinc/79/26/76/353792676.db2.gz CVKKEKACMORBAJ-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CC1(CNc2[nH+]cnc(N)c2Cl)CCCC1 ZINC000232842548 353792678 /nfs/dbraw/zinc/79/26/78/353792678.db2.gz CVKKEKACMORBAJ-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CCC1C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000334522834 353891048 /nfs/dbraw/zinc/89/10/48/353891048.db2.gz SNWKVFDKNVRGQU-UHFFFAOYSA-N 1 2 227.254 2.512 20 0 BFADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1cnc[nH]1 ZINC000334524899 353896907 /nfs/dbraw/zinc/89/69/07/353896907.db2.gz GZGGQPRRBHYGBY-UHFFFAOYSA-N 1 2 247.367 2.808 20 0 BFADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1cnc[nH]1 ZINC000334524899 353896911 /nfs/dbraw/zinc/89/69/11/353896911.db2.gz GZGGQPRRBHYGBY-UHFFFAOYSA-N 1 2 247.367 2.808 20 0 BFADLO Cc1nc(N2C[C@@H](C)CC(C)(C)C2)cc[nH+]1 ZINC000343522325 353926941 /nfs/dbraw/zinc/92/69/41/353926941.db2.gz MOOUHRMCMGFQGG-JTQLQIEISA-N 1 2 219.332 2.657 20 0 BFADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC(F)F ZINC000639162407 353954269 /nfs/dbraw/zinc/95/42/69/353954269.db2.gz OKINSSLCNOQWPT-CABZTGNLSA-N 1 2 229.270 2.617 20 0 BFADLO C[C@H]1CC[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000343801903 354005806 /nfs/dbraw/zinc/00/58/06/354005806.db2.gz DZFVCCVXHXNGLY-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000343801903 354005810 /nfs/dbraw/zinc/00/58/10/354005810.db2.gz DZFVCCVXHXNGLY-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC=C(F)C2)nc1 ZINC000334559370 354009594 /nfs/dbraw/zinc/00/95/94/354009594.db2.gz NRLVBNNJSCCRFA-UHFFFAOYSA-N 1 2 220.291 2.703 20 0 BFADLO CCc1ccc(C[N@H+]2CCC=C(F)C2)nc1 ZINC000334559370 354009597 /nfs/dbraw/zinc/00/95/97/354009597.db2.gz NRLVBNNJSCCRFA-UHFFFAOYSA-N 1 2 220.291 2.703 20 0 BFADLO Cc1cc(NC[C@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000230433837 363311285 /nfs/dbraw/zinc/31/12/85/363311285.db2.gz AHIHETHHJWBJOR-ONGXEEELSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc(NC[C@@H]2CCC[C@H]2C)cc[nH+]1 ZINC000230691467 363319996 /nfs/dbraw/zinc/31/99/96/363319996.db2.gz MWTFQDPXNNNIML-KOLCDFICSA-N 1 2 205.305 2.633 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@@H]2CC=CCC2)no1 ZINC000344065475 354130431 /nfs/dbraw/zinc/13/04/31/354130431.db2.gz OKKUPOXJOXBMDZ-GFCCVEGCSA-N 1 2 249.358 2.810 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@@H]2CC=CCC2)no1 ZINC000344065475 354130432 /nfs/dbraw/zinc/13/04/32/354130432.db2.gz OKKUPOXJOXBMDZ-GFCCVEGCSA-N 1 2 249.358 2.810 20 0 BFADLO Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cn1 ZINC000334569637 354095532 /nfs/dbraw/zinc/09/55/32/354095532.db2.gz SHIYFVIGIXNULY-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccoc2C)n1 ZINC000334580240 354196318 /nfs/dbraw/zinc/19/63/18/354196318.db2.gz MSTMGJQOHJBXLY-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccoc2C)n1 ZINC000334580240 354196321 /nfs/dbraw/zinc/19/63/21/354196321.db2.gz MSTMGJQOHJBXLY-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@@H]1C[N@H+](Cc2noc(C3CC3)n2)CC(C)(C)C1 ZINC000334589386 354217751 /nfs/dbraw/zinc/21/77/51/354217751.db2.gz RPBBZSZTCWVIEF-JTQLQIEISA-N 1 2 249.358 2.815 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2noc(C3CC3)n2)CC(C)(C)C1 ZINC000334589386 354217754 /nfs/dbraw/zinc/21/77/54/354217754.db2.gz RPBBZSZTCWVIEF-JTQLQIEISA-N 1 2 249.358 2.815 20 0 BFADLO CC[N@H+](Cc1ccon1)[C@H](C)c1cccnc1 ZINC000639180838 354288423 /nfs/dbraw/zinc/28/84/23/354288423.db2.gz ZMMFVXMUYQIYOT-LLVKDONJSA-N 1 2 231.299 2.653 20 0 BFADLO CC[N@@H+](Cc1ccon1)[C@H](C)c1cccnc1 ZINC000639180838 354288426 /nfs/dbraw/zinc/28/84/26/354288426.db2.gz ZMMFVXMUYQIYOT-LLVKDONJSA-N 1 2 231.299 2.653 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccncc1F ZINC000334606994 354313656 /nfs/dbraw/zinc/31/36/56/354313656.db2.gz ZKOLTRAFQIDCII-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccncc1F ZINC000334606994 354313658 /nfs/dbraw/zinc/31/36/58/354313658.db2.gz ZKOLTRAFQIDCII-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO Cc1occc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000334668071 354407277 /nfs/dbraw/zinc/40/72/77/354407277.db2.gz HMOCEBXVKAYSNZ-JOYOIKCWSA-N 1 2 231.299 2.580 20 0 BFADLO c1ccc(N2CCSC3(CCC3)CC2)[nH+]c1 ZINC000334651489 354444453 /nfs/dbraw/zinc/44/44/53/354444453.db2.gz NEAPVJABNYZZEA-UHFFFAOYSA-N 1 2 234.368 2.948 20 0 BFADLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000334694947 354486362 /nfs/dbraw/zinc/48/63/62/354486362.db2.gz HGIDXKFAEQGMKQ-JTQLQIEISA-N 1 2 247.342 2.594 20 0 BFADLO CCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CCC1 ZINC000334748535 354473272 /nfs/dbraw/zinc/47/32/72/354473272.db2.gz AZIFRNDETIHREC-QWRGUYRKSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H]2C2CC2)c(C)[nH+]1 ZINC000334695502 354487114 /nfs/dbraw/zinc/48/71/14/354487114.db2.gz AUZXJTPPAAOUON-CYBMUJFWSA-N 1 2 245.326 2.715 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H]2CC[C@H]2C)c(C)[nH+]1 ZINC000334710182 354506720 /nfs/dbraw/zinc/50/67/20/354506720.db2.gz ZZZXUMYKBXXFTM-PELKAZGASA-N 1 2 247.342 2.927 20 0 BFADLO c1cc(N2CCCC23CCC3)nc(C2CC2)[nH+]1 ZINC000334710962 354507703 /nfs/dbraw/zinc/50/77/03/354507703.db2.gz NOOMAQUQEHUQFX-UHFFFAOYSA-N 1 2 229.327 2.877 20 0 BFADLO CO[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000334803741 354559540 /nfs/dbraw/zinc/55/95/40/354559540.db2.gz QLEWURKNYPVEHY-LBPRGKRZSA-N 1 2 246.285 2.599 20 0 BFADLO Cc1cnc(C[NH+]2CC(c3ccccc3F)C2)o1 ZINC000639195325 354595796 /nfs/dbraw/zinc/59/57/96/354595796.db2.gz BULGOKOTCVBMOF-UHFFFAOYSA-N 1 2 246.285 2.722 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)C2CCCCC2)c2[nH+]ccn21 ZINC000334744456 354548061 /nfs/dbraw/zinc/54/80/61/354548061.db2.gz RUENRZDTXFRTDX-ZYHUDNBSSA-N 1 2 247.342 2.585 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000335940069 134016564 /nfs/dbraw/zinc/01/65/64/134016564.db2.gz AIYUHGXZTHGDGE-QWRGUYRKSA-N 1 2 241.718 2.686 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000335940069 134016565 /nfs/dbraw/zinc/01/65/65/134016565.db2.gz AIYUHGXZTHGDGE-QWRGUYRKSA-N 1 2 241.718 2.686 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)ns1)C(F)F ZINC000639214921 354809965 /nfs/dbraw/zinc/80/99/65/354809965.db2.gz UCQHBEUQLXRGLC-MRVPVSSYSA-N 1 2 220.288 2.585 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000053602354 363418593 /nfs/dbraw/zinc/41/85/93/363418593.db2.gz AILVCPXNCDWNRE-PHIMTYICSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000053602354 363418597 /nfs/dbraw/zinc/41/85/97/363418597.db2.gz AILVCPXNCDWNRE-PHIMTYICSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000053602356 363418824 /nfs/dbraw/zinc/41/88/24/363418824.db2.gz AILVCPXNCDWNRE-QWRGUYRKSA-N 1 2 237.347 2.671 20 0 BFADLO CCC1([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000639222619 354902100 /nfs/dbraw/zinc/90/21/00/354902100.db2.gz LCCJBBLNXTVNNM-GFCCVEGCSA-N 1 2 248.374 2.958 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)c[nH+]1 ZINC000412808971 191312904 /nfs/dbraw/zinc/31/29/04/191312904.db2.gz HDALNSKCLCFCFA-QWRGUYRKSA-N 1 2 249.358 2.663 20 0 BFADLO C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CC1 ZINC000346414858 354950326 /nfs/dbraw/zinc/95/03/26/354950326.db2.gz WNQJUQPJVJKMNC-LLVKDONJSA-N 1 2 231.343 2.892 20 0 BFADLO COc1ccccc1[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000346611633 354993348 /nfs/dbraw/zinc/99/33/48/354993348.db2.gz OFVZGXCDFJIIIO-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO Cc1cc(N2CCC[C@H]2c2cccnc2)nc[nH+]1 ZINC000346621151 354995928 /nfs/dbraw/zinc/99/59/28/354995928.db2.gz RCIDRQGGPAYONZ-ZDUSSCGKSA-N 1 2 240.310 2.522 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000335197562 355031402 /nfs/dbraw/zinc/03/14/02/355031402.db2.gz ZBXLAHLUBWZXJK-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000335197562 355031403 /nfs/dbraw/zinc/03/14/03/355031403.db2.gz ZBXLAHLUBWZXJK-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(N2[C@H](C)C[C@@H]2C)cc[nH+]1 ZINC000335206484 355042271 /nfs/dbraw/zinc/04/22/71/355042271.db2.gz KAVGPSGEMQAUNH-AOOOYVTPSA-N 1 2 205.305 2.587 20 0 BFADLO CCCC[N@@H+]1CC(=O)NC12CCC(C)(C)CC2 ZINC000346634179 355014471 /nfs/dbraw/zinc/01/44/71/355014471.db2.gz OWNZJZHNTIHBEV-UHFFFAOYSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)NC12CCC(C)(C)CC2 ZINC000346634179 355014473 /nfs/dbraw/zinc/01/44/73/355014473.db2.gz OWNZJZHNTIHBEV-UHFFFAOYSA-N 1 2 238.375 2.515 20 0 BFADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000335194849 355028000 /nfs/dbraw/zinc/02/80/00/355028000.db2.gz OUVJZKVELPMJNC-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000335194849 355028003 /nfs/dbraw/zinc/02/80/03/355028003.db2.gz OUVJZKVELPMJNC-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO Clc1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335213598 355050870 /nfs/dbraw/zinc/05/08/70/355050870.db2.gz YXQIWMNFTJWMFI-AOOOYVTPSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000335213598 355050872 /nfs/dbraw/zinc/05/08/72/355050872.db2.gz YXQIWMNFTJWMFI-AOOOYVTPSA-N 1 2 243.759 2.765 20 0 BFADLO Cc1nc(N2CC[C@@H](C(F)(F)F)[C@H]2C)cc[nH+]1 ZINC000335215096 355053607 /nfs/dbraw/zinc/05/36/07/355053607.db2.gz BMXQLFQFEKZOMZ-VXNVDRBHSA-N 1 2 245.248 2.562 20 0 BFADLO CC(C)c1nc(NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000346946610 355161592 /nfs/dbraw/zinc/16/15/92/355161592.db2.gz OIQHPYLVDWMJHU-LBPRGKRZSA-N 1 2 231.343 2.790 20 0 BFADLO CCC[N@H+](CCOC1CCC1)CC(F)F ZINC000346906849 355149764 /nfs/dbraw/zinc/14/97/64/355149764.db2.gz RDUPQBKDAIYSLG-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[N@@H+](CCOC1CCC1)CC(F)F ZINC000346906849 355149766 /nfs/dbraw/zinc/14/97/66/355149766.db2.gz RDUPQBKDAIYSLG-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO Clc1cccc(C2C[NH+](Cc3ccon3)C2)c1 ZINC000639233425 355214681 /nfs/dbraw/zinc/21/46/81/355214681.db2.gz FXFOFNBAWOSLQV-UHFFFAOYSA-N 1 2 248.713 2.927 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413126295 191358385 /nfs/dbraw/zinc/35/83/85/191358385.db2.gz SPOOIEVGJGIZCS-ONGXEEELSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413126295 191358386 /nfs/dbraw/zinc/35/83/86/191358386.db2.gz SPOOIEVGJGIZCS-ONGXEEELSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413126291 191358447 /nfs/dbraw/zinc/35/84/47/191358447.db2.gz SPOOIEVGJGIZCS-KOLCDFICSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413126291 191358449 /nfs/dbraw/zinc/35/84/49/191358449.db2.gz SPOOIEVGJGIZCS-KOLCDFICSA-N 1 2 232.331 2.651 20 0 BFADLO CSCCCSCCCn1cc[nH+]c1 ZINC000413010613 191339344 /nfs/dbraw/zinc/33/93/44/191339344.db2.gz UIFAKJCJJLRXRK-UHFFFAOYSA-N 1 2 230.402 2.760 20 0 BFADLO COCC[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000413494122 191390125 /nfs/dbraw/zinc/39/01/25/191390125.db2.gz PZMXMSUZFVQEBK-LBPRGKRZSA-N 1 2 244.338 2.741 20 0 BFADLO C[C@H](N(C)c1cc(NC2CC2)[nH+]cn1)C1(C)CC1 ZINC000413191184 191362102 /nfs/dbraw/zinc/36/21/02/191362102.db2.gz XYEDPIOZHYIPKH-JTQLQIEISA-N 1 2 246.358 2.676 20 0 BFADLO C[C@H](N(C)c1cc(NC2CC2)nc[nH+]1)C1(C)CC1 ZINC000413191184 191362104 /nfs/dbraw/zinc/36/21/04/191362104.db2.gz XYEDPIOZHYIPKH-JTQLQIEISA-N 1 2 246.358 2.676 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1nc3ccccc3o1)C2 ZINC000639252540 355288781 /nfs/dbraw/zinc/28/87/81/355288781.db2.gz JOGZTLHNQPHPCP-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO CCCC[C@@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000336723016 358496152 /nfs/dbraw/zinc/49/61/52/358496152.db2.gz YPRRJCQERHGIPF-MNOVXSKESA-N 1 2 237.347 2.803 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)c1cccnc1 ZINC000413592572 191398526 /nfs/dbraw/zinc/39/85/26/191398526.db2.gz MKNZHIFDQRHSOL-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO CC[C@@H]1CCC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000414203218 191460898 /nfs/dbraw/zinc/46/08/98/191460898.db2.gz NKZDTUPLPCKCPE-BXUZGUMPSA-N 1 2 238.375 2.513 20 0 BFADLO Cc1cccc(CC2C[NH+](Cc3ccon3)C2)c1 ZINC000639250421 355283331 /nfs/dbraw/zinc/28/33/31/355283331.db2.gz SIBSAAAAEUQQGJ-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO C[NH2+]Cc1noc([C@@H](C)Sc2ccccc2)n1 ZINC000349938180 355532169 /nfs/dbraw/zinc/53/21/69/355532169.db2.gz WLVDFEKURZTYLY-SECBINFHSA-N 1 2 249.339 2.642 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CS[C@@H](C)C1 ZINC000639294104 355553654 /nfs/dbraw/zinc/55/36/54/355553654.db2.gz IQMPKCGLCMVGTQ-GXSJLCMTSA-N 1 2 222.357 2.950 20 0 BFADLO C[NH2+]Cc1noc(/C=C\c2cc(C)cc(C)c2)n1 ZINC000349903822 355523072 /nfs/dbraw/zinc/52/30/72/355523072.db2.gz BOMJJKFNUPSWMR-PLNGDYQASA-N 1 2 243.310 2.576 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]cccc1SC ZINC000639292661 355523979 /nfs/dbraw/zinc/52/39/79/355523979.db2.gz MQKDFJHZYPXFSK-BDAKNGLRSA-N 1 2 226.345 2.639 20 0 BFADLO CCc1cc[nH+]cc1NCCC[C@@H]1CCO1 ZINC000639296507 355594577 /nfs/dbraw/zinc/59/45/77/355594577.db2.gz VNQXAQCIPKXFNW-GFCCVEGCSA-N 1 2 220.316 2.625 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)Cc1ccsc1 ZINC000335855436 355599764 /nfs/dbraw/zinc/59/97/64/355599764.db2.gz NJYPXOBYDKQZPO-UHFFFAOYSA-N 1 2 246.335 2.941 20 0 BFADLO c1[nH+]c2c(cc1NCC1=CCCOC1)CCCC2 ZINC000335859954 355605793 /nfs/dbraw/zinc/60/57/93/355605793.db2.gz UUJHBPKXCKEVNN-UHFFFAOYSA-N 1 2 244.338 2.719 20 0 BFADLO c1[nH+]cc(NCCC[C@@H]2CCO2)c2c1CCCC2 ZINC000639302126 355646058 /nfs/dbraw/zinc/64/60/58/355646058.db2.gz CJMHHMSXDFONAT-CYBMUJFWSA-N 1 2 246.354 2.941 20 0 BFADLO COC[C@H](Nc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000639303050 355651751 /nfs/dbraw/zinc/65/17/51/355651751.db2.gz LNHCVQMKVVYLTP-HNNXBMFYSA-N 1 2 246.354 2.797 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000639311778 355671928 /nfs/dbraw/zinc/67/19/28/355671928.db2.gz DFKYLBNNWUFHGC-JTQLQIEISA-N 1 2 244.260 2.953 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000639311778 355671929 /nfs/dbraw/zinc/67/19/29/355671929.db2.gz DFKYLBNNWUFHGC-JTQLQIEISA-N 1 2 244.260 2.953 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1sccc1C ZINC000335867505 355632975 /nfs/dbraw/zinc/63/29/75/355632975.db2.gz OUNGQXFZBGZWFA-UHFFFAOYSA-N 1 2 246.335 2.688 20 0 BFADLO Cc1ccc(Cc2noc(C[C@H]3C[C@H]3C)n2)c[nH+]1 ZINC000350409619 355698721 /nfs/dbraw/zinc/69/87/21/355698721.db2.gz DKRIAKCYWQOJHX-BXKDBHETSA-N 1 2 243.310 2.562 20 0 BFADLO Cn1ncc2c1C[N@H+](CCC1CCCCC1)C2 ZINC000639319169 355713165 /nfs/dbraw/zinc/71/31/65/355713165.db2.gz DWYABXZFYCCAMP-UHFFFAOYSA-N 1 2 233.359 2.706 20 0 BFADLO Cn1ncc2c1C[N@@H+](CCC1CCCCC1)C2 ZINC000639319169 355713168 /nfs/dbraw/zinc/71/31/68/355713168.db2.gz DWYABXZFYCCAMP-UHFFFAOYSA-N 1 2 233.359 2.706 20 0 BFADLO Cc1ncc([C@@H](C)[N@@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000639313284 355685230 /nfs/dbraw/zinc/68/52/30/355685230.db2.gz PIKCWPJHOHXTKZ-PWSUYJOCSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ncc([C@@H](C)[N@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000639313284 355685233 /nfs/dbraw/zinc/68/52/33/355685233.db2.gz PIKCWPJHOHXTKZ-PWSUYJOCSA-N 1 2 237.322 2.588 20 0 BFADLO COCc1cc[nH+]c(NC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000639313358 355686553 /nfs/dbraw/zinc/68/65/53/355686553.db2.gz RAGQIURCZNTPHC-CLLJXQQHSA-N 1 2 232.327 2.686 20 0 BFADLO C[N@H+](Cc1nnsc1Cl)C1CCCCC1 ZINC000035164775 355862567 /nfs/dbraw/zinc/86/25/67/355862567.db2.gz ACNNWQHMWZXXDE-UHFFFAOYSA-N 1 2 245.779 2.956 20 0 BFADLO C[N@@H+](Cc1nnsc1Cl)C1CCCCC1 ZINC000035164775 355862571 /nfs/dbraw/zinc/86/25/71/355862571.db2.gz ACNNWQHMWZXXDE-UHFFFAOYSA-N 1 2 245.779 2.956 20 0 BFADLO CCc1cc(NCCc2ccsc2)nc[nH+]1 ZINC000049184184 355935881 /nfs/dbraw/zinc/93/58/81/355935881.db2.gz IDRWQTFLQLAJOY-UHFFFAOYSA-N 1 2 233.340 2.755 20 0 BFADLO Cc1cc(NC(=O)c2ccoc2Cl)cc[nH+]1 ZINC000192397546 355982989 /nfs/dbraw/zinc/98/29/89/355982989.db2.gz BTTDZPBRDSBJLW-UHFFFAOYSA-N 1 2 236.658 2.889 20 0 BFADLO Cc1ccc(NC(=O)NC(C)(C)CF)c(C)[nH+]1 ZINC000336063431 134069611 /nfs/dbraw/zinc/06/96/11/134069611.db2.gz ZYBSNAKEAHRYLX-UHFFFAOYSA-N 1 2 239.294 2.568 20 0 BFADLO CCCC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583634580 355942744 /nfs/dbraw/zinc/94/27/44/355942744.db2.gz ZHDIQAAPUZVBRD-LLVKDONJSA-N 1 2 237.347 2.529 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608751287 355963761 /nfs/dbraw/zinc/96/37/61/355963761.db2.gz SRQLYENYZZARCK-VHSXEESVSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608751287 355963764 /nfs/dbraw/zinc/96/37/64/355963764.db2.gz SRQLYENYZZARCK-VHSXEESVSA-N 1 2 237.265 2.604 20 0 BFADLO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000608750701 355972361 /nfs/dbraw/zinc/97/23/61/355972361.db2.gz PEVZDCOJGKAIOI-VWYCJHECSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000608750701 355972365 /nfs/dbraw/zinc/97/23/65/355972365.db2.gz PEVZDCOJGKAIOI-VWYCJHECSA-N 1 2 249.276 2.747 20 0 BFADLO C[N@H+](Cc1ncc(Cl)s1)[C@@H]1CCSC1 ZINC000336068192 134070936 /nfs/dbraw/zinc/07/09/36/134070936.db2.gz FJAGPCSGKRUYTA-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO C[N@@H+](Cc1ncc(Cl)s1)[C@@H]1CCSC1 ZINC000336068192 134070937 /nfs/dbraw/zinc/07/09/37/134070937.db2.gz FJAGPCSGKRUYTA-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO CC1(C)C[NH+](Cc2nc3c(s2)CCCC3)C1 ZINC000639393563 356063036 /nfs/dbraw/zinc/06/30/36/356063036.db2.gz NMNFCVMLMWNYGN-UHFFFAOYSA-N 1 2 236.384 2.864 20 0 BFADLO CC1(C)C[NH+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000639393362 356071679 /nfs/dbraw/zinc/07/16/79/356071679.db2.gz KPEXPOHLYGHOCU-UHFFFAOYSA-N 1 2 241.338 2.714 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000639433755 356211022 /nfs/dbraw/zinc/21/10/22/356211022.db2.gz OHKUBCLXZHQPCY-YGRLFVJLSA-N 1 2 247.338 2.956 20 0 BFADLO CC(=O)C[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000639433755 356211024 /nfs/dbraw/zinc/21/10/24/356211024.db2.gz OHKUBCLXZHQPCY-YGRLFVJLSA-N 1 2 247.338 2.956 20 0 BFADLO CCC(F)(F)C[N@H+](C[C@H](C)OC)C(C)C ZINC000639495589 356321582 /nfs/dbraw/zinc/32/15/82/356321582.db2.gz RQIUNAUEEDWQHR-JTQLQIEISA-N 1 2 223.307 2.777 20 0 BFADLO CCC(F)(F)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000639495589 356321585 /nfs/dbraw/zinc/32/15/85/356321585.db2.gz RQIUNAUEEDWQHR-JTQLQIEISA-N 1 2 223.307 2.777 20 0 BFADLO CCO[C@@H]1CCC[N@H+](CC(F)(F)CC)C1 ZINC000639501327 356327625 /nfs/dbraw/zinc/32/76/25/356327625.db2.gz ROVUUWDGGFOHFJ-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCO[C@@H]1CCC[N@@H+](CC(F)(F)CC)C1 ZINC000639501327 356327628 /nfs/dbraw/zinc/32/76/28/356327628.db2.gz ROVUUWDGGFOHFJ-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(OC(C)C)CC1 ZINC000639483308 356297624 /nfs/dbraw/zinc/29/76/24/356297624.db2.gz SNHWIZSTJKWQDS-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO Cn1c[nH+]cc1CN(C#N)c1ccccc1Cl ZINC000336120822 134091226 /nfs/dbraw/zinc/09/12/26/134091226.db2.gz HXRQPMPKIQYGJK-UHFFFAOYSA-N 1 2 246.701 2.561 20 0 BFADLO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]2C(F)F)C1 ZINC000639556780 356461427 /nfs/dbraw/zinc/46/14/27/356461427.db2.gz ZYKHZMISHFIVGC-UWVGGRQHSA-N 1 2 233.302 2.531 20 0 BFADLO CC1(C)CO[C@H](C[N@H+]2CCC[C@H]2C(F)F)C1 ZINC000639556780 356461431 /nfs/dbraw/zinc/46/14/31/356461431.db2.gz ZYKHZMISHFIVGC-UWVGGRQHSA-N 1 2 233.302 2.531 20 0 BFADLO CC(=O)C[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000639557938 356462136 /nfs/dbraw/zinc/46/21/36/356462136.db2.gz VCCZEYUWEPWZIC-GXSJLCMTSA-N 1 2 235.302 2.722 20 0 BFADLO CC(=O)C[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000639557938 356462139 /nfs/dbraw/zinc/46/21/39/356462139.db2.gz VCCZEYUWEPWZIC-GXSJLCMTSA-N 1 2 235.302 2.722 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000352214266 134108319 /nfs/dbraw/zinc/10/83/19/134108319.db2.gz YXQKMAPYTLIQLN-GFCCVEGCSA-N 1 2 247.342 2.512 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000352219612 134108791 /nfs/dbraw/zinc/10/87/91/134108791.db2.gz DTVXAMUKVTZWIH-ZYHUDNBSSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000352219612 134108792 /nfs/dbraw/zinc/10/87/92/134108792.db2.gz DTVXAMUKVTZWIH-ZYHUDNBSSA-N 1 2 225.311 2.685 20 0 BFADLO Cc1nc(N2CC[C@H](C3CCCC3)C2)cc[nH+]1 ZINC000420615438 192249051 /nfs/dbraw/zinc/24/90/51/192249051.db2.gz DKHMLRJXAIXVHM-ZDUSSCGKSA-N 1 2 231.343 2.802 20 0 BFADLO CC[C@@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000420620806 192250193 /nfs/dbraw/zinc/25/01/93/192250193.db2.gz BYFSRDDYPVBRIA-LLVKDONJSA-N 1 2 234.274 2.557 20 0 BFADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000609805099 356474049 /nfs/dbraw/zinc/47/40/49/356474049.db2.gz DFWZQKBEUNZUGX-RISCZKNCSA-N 1 2 247.338 2.536 20 0 BFADLO CC[C@@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000420657233 192256347 /nfs/dbraw/zinc/25/63/47/192256347.db2.gz WMOPYUIIBGDUQU-LLVKDONJSA-N 1 2 234.347 2.535 20 0 BFADLO CC[C@@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000420657233 192256349 /nfs/dbraw/zinc/25/63/49/192256349.db2.gz WMOPYUIIBGDUQU-LLVKDONJSA-N 1 2 234.347 2.535 20 0 BFADLO CCN(c1cc(C)[nH+]cn1)C1CCCCC1 ZINC000301166692 356504844 /nfs/dbraw/zinc/50/48/44/356504844.db2.gz DTMOJDYQPAZHGY-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO CCCC[N@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000420909106 192269922 /nfs/dbraw/zinc/26/99/22/192269922.db2.gz YEDZZQOQZDBTGC-UHFFFAOYSA-N 1 2 241.766 2.838 20 0 BFADLO CCCC[N@@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000420909106 192269924 /nfs/dbraw/zinc/26/99/24/192269924.db2.gz YEDZZQOQZDBTGC-UHFFFAOYSA-N 1 2 241.766 2.838 20 0 BFADLO CCN(c1cc(C)[nH+]cn1)[C@H](C)c1cccnc1 ZINC000301309656 356523941 /nfs/dbraw/zinc/52/39/41/356523941.db2.gz XVMQUZBHFJPTNW-GFCCVEGCSA-N 1 2 242.326 2.768 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420917826 192273818 /nfs/dbraw/zinc/27/38/18/192273818.db2.gz UJNXOCXIPVMFPN-VIFPVBQESA-N 1 2 229.755 2.551 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420917826 192273819 /nfs/dbraw/zinc/27/38/19/192273819.db2.gz UJNXOCXIPVMFPN-VIFPVBQESA-N 1 2 229.755 2.551 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](O)C1)c1cc(C)cc(C)c1 ZINC000420934591 192286762 /nfs/dbraw/zinc/28/67/62/192286762.db2.gz KFKRLJLSFWMGPG-OTVXOJSOSA-N 1 2 233.355 2.901 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](O)C1)c1cc(C)cc(C)c1 ZINC000420934591 192286763 /nfs/dbraw/zinc/28/67/63/192286763.db2.gz KFKRLJLSFWMGPG-OTVXOJSOSA-N 1 2 233.355 2.901 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1C ZINC000420934147 192286991 /nfs/dbraw/zinc/28/69/91/192286991.db2.gz JRFNBOPRKUMZCR-BETUJISGSA-N 1 2 219.328 2.592 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1C ZINC000420934147 192286992 /nfs/dbraw/zinc/28/69/92/192286992.db2.gz JRFNBOPRKUMZCR-BETUJISGSA-N 1 2 219.328 2.592 20 0 BFADLO Cc1cc(C)c2c(c1)[N@@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420941220 192288644 /nfs/dbraw/zinc/28/86/44/192288644.db2.gz SLYQCDPBODGCNI-OKILXGFUSA-N 1 2 245.366 2.827 20 0 BFADLO Cc1cc(C)c2c(c1)[N@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420941220 192288647 /nfs/dbraw/zinc/28/86/47/192288647.db2.gz SLYQCDPBODGCNI-OKILXGFUSA-N 1 2 245.366 2.827 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000420940555 192288665 /nfs/dbraw/zinc/28/86/65/192288665.db2.gz DNSCULRZEYWDSZ-VIFPVBQESA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000420940555 192288668 /nfs/dbraw/zinc/28/86/68/192288668.db2.gz DNSCULRZEYWDSZ-VIFPVBQESA-N 1 2 248.248 2.839 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000639633575 356547233 /nfs/dbraw/zinc/54/72/33/356547233.db2.gz LYWYYDUIUJCUDI-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CCC(F)(F)C[N@H+]1CCS[C@@H](C)CC1 ZINC000639633575 356547238 /nfs/dbraw/zinc/54/72/38/356547238.db2.gz LYWYYDUIUJCUDI-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000179664736 366281914 /nfs/dbraw/zinc/28/19/14/366281914.db2.gz FWSYEIQQSZJDCZ-SNVBAGLBSA-N 1 2 247.367 2.500 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000179664736 366281920 /nfs/dbraw/zinc/28/19/20/366281920.db2.gz FWSYEIQQSZJDCZ-SNVBAGLBSA-N 1 2 247.367 2.500 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(F)F ZINC000228483813 491095293 /nfs/dbraw/zinc/09/52/93/491095293.db2.gz HJJOAFIVTKLXBV-KCJUWKMLSA-N 1 2 211.255 2.917 20 0 BFADLO COC(=O)C[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421008369 192299636 /nfs/dbraw/zinc/29/96/36/192299636.db2.gz MDOSYMJSWZHOSL-JTQLQIEISA-N 1 2 241.356 2.693 20 0 BFADLO COC(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421008369 192299637 /nfs/dbraw/zinc/29/96/37/192299637.db2.gz MDOSYMJSWZHOSL-JTQLQIEISA-N 1 2 241.356 2.693 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000639655216 356560420 /nfs/dbraw/zinc/56/04/20/356560420.db2.gz RAGKLIDMQJHNHF-LBPRGKRZSA-N 1 2 247.329 2.780 20 0 BFADLO CCC(F)(F)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000639655216 356560423 /nfs/dbraw/zinc/56/04/23/356560423.db2.gz RAGKLIDMQJHNHF-LBPRGKRZSA-N 1 2 247.329 2.780 20 0 BFADLO Clc1ccsc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421029692 192310278 /nfs/dbraw/zinc/31/02/78/192310278.db2.gz XRGJWTUIFUHIBH-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Clc1ccsc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421029692 192310279 /nfs/dbraw/zinc/31/02/79/192310279.db2.gz XRGJWTUIFUHIBH-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000639655215 356561240 /nfs/dbraw/zinc/56/12/40/356561240.db2.gz RAGKLIDMQJHNHF-GFCCVEGCSA-N 1 2 247.329 2.780 20 0 BFADLO CCC(F)(F)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000639655215 356561244 /nfs/dbraw/zinc/56/12/44/356561244.db2.gz RAGKLIDMQJHNHF-GFCCVEGCSA-N 1 2 247.329 2.780 20 0 BFADLO CC[C@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421334111 192319261 /nfs/dbraw/zinc/31/92/61/192319261.db2.gz YDBGJKBKDZSMBN-QMMMGPOBSA-N 1 2 229.755 2.612 20 0 BFADLO CC[C@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421334111 192319264 /nfs/dbraw/zinc/31/92/64/192319264.db2.gz YDBGJKBKDZSMBN-QMMMGPOBSA-N 1 2 229.755 2.612 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@H]1CC ZINC000449893511 202050309 /nfs/dbraw/zinc/05/03/09/202050309.db2.gz YCUDERSTKCXCKE-YPMHNXCESA-N 1 2 246.354 2.831 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCC[C@@H]1COC ZINC000639668978 356583505 /nfs/dbraw/zinc/58/35/05/356583505.db2.gz WKCMCQWKSCZJLB-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCC[C@@H]1COC ZINC000639668978 356583507 /nfs/dbraw/zinc/58/35/07/356583507.db2.gz WKCMCQWKSCZJLB-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000639694313 356603358 /nfs/dbraw/zinc/60/33/58/356603358.db2.gz XWTDHGSRIJFDCE-GFCCVEGCSA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000639694313 356603361 /nfs/dbraw/zinc/60/33/61/356603361.db2.gz XWTDHGSRIJFDCE-GFCCVEGCSA-N 1 2 240.297 2.916 20 0 BFADLO Cc1cccc(Cl)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000450212392 202098449 /nfs/dbraw/zinc/09/84/49/202098449.db2.gz CFGZKGUEUMMUAB-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(Cl)c1C[N@H+]1CCO[C@H](C)C1 ZINC000450212392 202098452 /nfs/dbraw/zinc/09/84/52/202098452.db2.gz CFGZKGUEUMMUAB-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000450212393 202098672 /nfs/dbraw/zinc/09/86/72/202098672.db2.gz CFGZKGUEUMMUAB-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(Cl)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000450212393 202098674 /nfs/dbraw/zinc/09/86/74/202098674.db2.gz CFGZKGUEUMMUAB-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1F ZINC000639751840 356645348 /nfs/dbraw/zinc/64/53/48/356645348.db2.gz XFOALTBOQRFMKD-FZMZJTMJSA-N 1 2 247.313 2.883 20 0 BFADLO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1F ZINC000639751840 356645350 /nfs/dbraw/zinc/64/53/50/356645350.db2.gz XFOALTBOQRFMKD-FZMZJTMJSA-N 1 2 247.313 2.883 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179814345 366313059 /nfs/dbraw/zinc/31/30/59/366313059.db2.gz SRQLVKOABIOBCE-SNVBAGLBSA-N 1 2 221.304 2.652 20 0 BFADLO CCOC(=O)C[N@H+](CC1=CCCCC1)C1CC1 ZINC000450342752 202133627 /nfs/dbraw/zinc/13/36/27/202133627.db2.gz UJNZFLPRFJZGHN-UHFFFAOYSA-N 1 2 237.343 2.514 20 0 BFADLO CCOC(=O)C[N@@H+](CC1=CCCCC1)C1CC1 ZINC000450342752 202133631 /nfs/dbraw/zinc/13/36/31/202133631.db2.gz UJNZFLPRFJZGHN-UHFFFAOYSA-N 1 2 237.343 2.514 20 0 BFADLO C[N@H+](CC(F)F)CC12CCC(CC1)C2 ZINC000450354027 202139800 /nfs/dbraw/zinc/13/98/00/202139800.db2.gz IUUSUKJEWFTAAU-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO C[N@@H+](CC(F)F)CC12CCC(CC1)C2 ZINC000450354027 202139804 /nfs/dbraw/zinc/13/98/04/202139804.db2.gz IUUSUKJEWFTAAU-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)C(C)(C)C)c(C)c[nH+]1 ZINC000582244714 356674244 /nfs/dbraw/zinc/67/42/44/356674244.db2.gz LKXJHGIMNUFXJS-LLVKDONJSA-N 1 2 249.358 2.676 20 0 BFADLO Cc1cc(NC(=O)NCc2ccsc2)cc[nH+]1 ZINC000179828476 366317095 /nfs/dbraw/zinc/31/70/95/366317095.db2.gz SFJRPJVCITULPU-UHFFFAOYSA-N 1 2 247.323 2.773 20 0 BFADLO COCc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389481068 356688097 /nfs/dbraw/zinc/68/80/97/356688097.db2.gz GEAOUNQTTHNHRJ-JTQLQIEISA-N 1 2 243.297 2.966 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1F ZINC000389483507 356690120 /nfs/dbraw/zinc/69/01/20/356690120.db2.gz YSVPVQBKMHMFJG-MRVPVSSYSA-N 1 2 247.260 2.968 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccnc1 ZINC000389479759 356686689 /nfs/dbraw/zinc/68/66/89/356686689.db2.gz UAOAUCHBJOMCTO-RKDXNWHRSA-N 1 2 214.259 2.776 20 0 BFADLO Cc1ccncc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389479223 356686744 /nfs/dbraw/zinc/68/67/44/356686744.db2.gz SNIPJENUXZMYLS-VIFPVBQESA-N 1 2 214.259 2.523 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000054172165 363564283 /nfs/dbraw/zinc/56/42/83/363564283.db2.gz PKTNPYYUEVFHTI-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000054172165 363564285 /nfs/dbraw/zinc/56/42/85/363564285.db2.gz PKTNPYYUEVFHTI-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776494 356717933 /nfs/dbraw/zinc/71/79/33/356717933.db2.gz MXNSFDCECVJIOR-JTQLQIEISA-N 1 2 229.274 2.592 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639776494 356717935 /nfs/dbraw/zinc/71/79/35/356717935.db2.gz MXNSFDCECVJIOR-JTQLQIEISA-N 1 2 229.274 2.592 20 0 BFADLO CC(C)=CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000180037984 366362212 /nfs/dbraw/zinc/36/22/12/366362212.db2.gz PQZYNMBMNWJTQP-GFCCVEGCSA-N 1 2 241.375 2.909 20 0 BFADLO CC(=O)C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000639798965 356760186 /nfs/dbraw/zinc/76/01/86/356760186.db2.gz SVPLIBCFHLIQAM-CYBMUJFWSA-N 1 2 233.311 2.786 20 0 BFADLO CC(=O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000639798965 356760190 /nfs/dbraw/zinc/76/01/90/356760190.db2.gz SVPLIBCFHLIQAM-CYBMUJFWSA-N 1 2 233.311 2.786 20 0 BFADLO CCc1cccc(F)c1C[NH2+]Cc1ccno1 ZINC000578193154 366378022 /nfs/dbraw/zinc/37/80/22/366378022.db2.gz PLLNIFRQYCTWGF-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO CC[C@H]([NH2+]Cc1cnoc1C)c1nccs1 ZINC000130416437 325050586 /nfs/dbraw/zinc/05/05/86/325050586.db2.gz BTOGMVIAARCNMP-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO CCc1cccnc1[C@H](C)[NH2+]Cc1cscn1 ZINC000356901508 356808797 /nfs/dbraw/zinc/80/87/97/356808797.db2.gz PTODZNMEEQSIAK-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccns2)c(C)n1 ZINC000639809316 356783018 /nfs/dbraw/zinc/78/30/18/356783018.db2.gz RPCVSUZLPRBJIQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccns2)c(C)n1 ZINC000639809316 356783022 /nfs/dbraw/zinc/78/30/22/356783022.db2.gz RPCVSUZLPRBJIQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CC[N@H+](Cc1[nH]ncc1C)Cc1cccc(F)c1 ZINC000356060927 356787354 /nfs/dbraw/zinc/78/73/54/356787354.db2.gz SOMYZWHLKZVUQC-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1[nH]ncc1C)Cc1cccc(F)c1 ZINC000356060927 356787359 /nfs/dbraw/zinc/78/73/59/356787359.db2.gz SOMYZWHLKZVUQC-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1n[nH]cc1C)Cc1cccc(F)c1 ZINC000356060927 356787364 /nfs/dbraw/zinc/78/73/64/356787364.db2.gz SOMYZWHLKZVUQC-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1ccnc(C)n1 ZINC000358596737 356872702 /nfs/dbraw/zinc/87/27/02/356872702.db2.gz WRPZQQBEIIVDCE-UHFFFAOYSA-N 1 2 243.310 2.630 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639842330 356836684 /nfs/dbraw/zinc/83/66/84/356836684.db2.gz COZRWYSUUPKSCX-SECBINFHSA-N 1 2 245.248 2.566 20 0 BFADLO FC(F)(F)CC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000639842330 356836687 /nfs/dbraw/zinc/83/66/87/356836687.db2.gz COZRWYSUUPKSCX-SECBINFHSA-N 1 2 245.248 2.566 20 0 BFADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(F)F ZINC000450560008 202198598 /nfs/dbraw/zinc/19/85/98/202198598.db2.gz HEFAUASMKJZZLL-MRVPVSSYSA-N 1 2 240.257 2.722 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000361337359 356928504 /nfs/dbraw/zinc/92/85/04/356928504.db2.gz RBPVYZMVHWBANV-RYUDHWBXSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000361337359 356928506 /nfs/dbraw/zinc/92/85/06/356928506.db2.gz RBPVYZMVHWBANV-RYUDHWBXSA-N 1 2 249.345 2.761 20 0 BFADLO Cc1nc(N2CCC[C@@](C)(F)C2)c(C)c(C)[nH+]1 ZINC000450550052 202194647 /nfs/dbraw/zinc/19/46/47/202194647.db2.gz CFXVAICBXGXJGL-CYBMUJFWSA-N 1 2 237.322 2.730 20 0 BFADLO CCN(c1cc(C)[nH+]c(C(C)C)n1)[C@H]1CCOC1 ZINC000359968176 356899048 /nfs/dbraw/zinc/89/90/48/356899048.db2.gz OEZDPHCWQOUCQF-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@H](Nc1cccc(CCCO)c1)c1[nH]cc[nH+]1 ZINC000353682739 538761513 /nfs/dbraw/zinc/76/15/13/538761513.db2.gz OKJODOVBAOOUES-NSHDSACASA-N 1 2 245.326 2.508 20 0 BFADLO Cc1nc(NC2CC(C)(F)C2)c2c([nH+]1)CCCC2 ZINC000450579007 202203930 /nfs/dbraw/zinc/20/39/30/202203930.db2.gz LCSAEAKOQXWJQL-UHFFFAOYSA-N 1 2 249.333 2.966 20 0 BFADLO Fc1ccc(C2([NH2+]CC(F)F)CC2)cc1 ZINC000389853809 357055380 /nfs/dbraw/zinc/05/53/80/357055380.db2.gz ZIGJNKOTWWLIMO-UHFFFAOYSA-N 1 2 215.218 2.670 20 0 BFADLO CC1(C)C[N@H+](Cc2ccc(F)cc2F)CCO1 ZINC000120154953 357037025 /nfs/dbraw/zinc/03/70/25/357037025.db2.gz ZTIMPBFOVNQACT-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccc(F)cc2F)CCO1 ZINC000120154953 357037027 /nfs/dbraw/zinc/03/70/27/357037027.db2.gz ZTIMPBFOVNQACT-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H](CNc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000390639103 357109127 /nfs/dbraw/zinc/10/91/27/357109127.db2.gz MLESPBZUIVDGSV-VIFPVBQESA-N 1 2 219.263 2.764 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC(F)(F)CC2)[nH]c1C ZINC000628422543 357245182 /nfs/dbraw/zinc/24/51/82/357245182.db2.gz ULFUQBRFUAHYFQ-UHFFFAOYSA-N 1 2 243.301 2.648 20 0 BFADLO Cc1nc(C[N@H+]2CCCC(F)(F)CC2)[nH]c1C ZINC000628422543 357245186 /nfs/dbraw/zinc/24/51/86/357245186.db2.gz ULFUQBRFUAHYFQ-UHFFFAOYSA-N 1 2 243.301 2.648 20 0 BFADLO Cc1[nH]c(CN2CCCC(F)(F)CC2)[nH+]c1C ZINC000628422543 357245190 /nfs/dbraw/zinc/24/51/90/357245190.db2.gz ULFUQBRFUAHYFQ-UHFFFAOYSA-N 1 2 243.301 2.648 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccc(O)cc2)C1 ZINC000628422503 357245501 /nfs/dbraw/zinc/24/55/01/357245501.db2.gz PIBURQASOKISAF-UHFFFAOYSA-N 1 2 249.354 2.782 20 0 BFADLO Fc1ccc(/C=C/C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628427068 357255887 /nfs/dbraw/zinc/25/58/87/357255887.db2.gz DIXXFGSKIYFPJQ-HNQUOIGGSA-N 1 2 247.313 2.704 20 0 BFADLO CCc1ccc(C[NH+]2CC3(C2)CCCO3)s1 ZINC000628427141 357256237 /nfs/dbraw/zinc/25/62/37/357256237.db2.gz IMIKFZXVUGXUTI-UHFFFAOYSA-N 1 2 237.368 2.675 20 0 BFADLO c1c2ccccc2[nH]c1C[NH+]1CC2(C1)CCCO2 ZINC000628427690 357257117 /nfs/dbraw/zinc/25/71/17/357257117.db2.gz TYQVQWVNGDGROC-UHFFFAOYSA-N 1 2 242.322 2.533 20 0 BFADLO CCCOc1cc(C)ccc1[NH2+]C[C@H](C)CO ZINC000157967823 538844177 /nfs/dbraw/zinc/84/41/77/538844177.db2.gz XCFOAGRBBKJBBC-LBPRGKRZSA-N 1 2 237.343 2.824 20 0 BFADLO Cc1nc(NCCc2cccc(C)[nH+]2)sc1C ZINC000359851464 538857425 /nfs/dbraw/zinc/85/74/25/538857425.db2.gz XLNCIPMANYDYHC-UHFFFAOYSA-N 1 2 247.367 2.540 20 0 BFADLO C[C@@H](C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000189496903 357638293 /nfs/dbraw/zinc/63/82/93/357638293.db2.gz KJHJNWBZEAPIRX-NSHDSACASA-N 1 2 239.746 2.776 20 0 BFADLO CC(C)([NH2+]Cc1ncccn1)c1cccc(F)c1 ZINC000192157793 357825505 /nfs/dbraw/zinc/82/55/05/357825505.db2.gz QTJJSUUHGNSSHV-UHFFFAOYSA-N 1 2 245.301 2.641 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1ncccn1)C1CC1 ZINC000192116193 357823392 /nfs/dbraw/zinc/82/33/92/357823392.db2.gz SMBRTYIDRYBLIM-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1ncccn1)C1CC1 ZINC000192116193 357823397 /nfs/dbraw/zinc/82/33/97/357823397.db2.gz SMBRTYIDRYBLIM-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H]1CCC[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235293636 357852641 /nfs/dbraw/zinc/85/26/41/357852641.db2.gz AYNBDGYCKHQCDZ-SFYZADRCSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@@H]1CCC[C@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235293636 357852644 /nfs/dbraw/zinc/85/26/44/357852644.db2.gz AYNBDGYCKHQCDZ-SFYZADRCSA-N 1 2 240.738 2.560 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC(CCF)CC2)no1 ZINC000639989256 358027565 /nfs/dbraw/zinc/02/75/65/358027565.db2.gz AJWBCAHLZGHZJY-SECBINFHSA-N 1 2 241.310 2.511 20 0 BFADLO COc1cccc2c1C[N@H+](CC1(F)CC1)C2 ZINC000628462767 358118269 /nfs/dbraw/zinc/11/82/69/358118269.db2.gz HFZFVEWSVSGDSO-UHFFFAOYSA-N 1 2 221.275 2.513 20 0 BFADLO COc1cccc2c1C[N@@H+](CC1(F)CC1)C2 ZINC000628462767 358118271 /nfs/dbraw/zinc/11/82/71/358118271.db2.gz HFZFVEWSVSGDSO-UHFFFAOYSA-N 1 2 221.275 2.513 20 0 BFADLO C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966360 358155843 /nfs/dbraw/zinc/15/58/43/358155843.db2.gz HAJXLHAPEWOXHZ-BXKDBHETSA-N 1 2 241.294 2.671 20 0 BFADLO Cc1nnc([C@@H](C)[NH+]2CCC(C)(F)CC2)s1 ZINC000640071428 358161821 /nfs/dbraw/zinc/16/18/21/358161821.db2.gz MQHXQNJOYBFQQZ-MRVPVSSYSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1cccc2[nH+]c(CN3CCCCCO3)cn21 ZINC000640122952 358202723 /nfs/dbraw/zinc/20/27/23/358202723.db2.gz HEECEZBIJCUKEY-UHFFFAOYSA-N 1 2 245.326 2.560 20 0 BFADLO Cc1c[nH+]c(C)nc1N1Cc2cccc(F)c2C1 ZINC000584849664 358209295 /nfs/dbraw/zinc/20/92/95/358209295.db2.gz IWQRVPGGEUFLQD-UHFFFAOYSA-N 1 2 243.285 2.753 20 0 BFADLO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000041015501 358241324 /nfs/dbraw/zinc/24/13/24/358241324.db2.gz CVRKVLBLHRXGBM-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO CC(C)[C@H]1C[C@H](CNc2cccc[nH+]2)CCO1 ZINC000450734040 202248650 /nfs/dbraw/zinc/24/86/50/202248650.db2.gz BAWXUZLOANKFPE-CHWSQXEVSA-N 1 2 234.343 2.945 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2ccsc2)s1 ZINC000134720498 325373139 /nfs/dbraw/zinc/37/31/39/325373139.db2.gz VGCVPGCSYPOJHP-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CCCCC1(C)C)c1[nH]cc[nH+]1 ZINC000226628579 358342405 /nfs/dbraw/zinc/34/24/05/358342405.db2.gz ZFBWTYJWFVTEGE-GHMZBOCLSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C2CCC2)n1 ZINC000351130982 366420455 /nfs/dbraw/zinc/42/04/55/366420455.db2.gz OKWXGGACQRJEPW-UHFFFAOYSA-N 1 2 243.310 2.826 20 0 BFADLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000035019263 358450326 /nfs/dbraw/zinc/45/03/26/358450326.db2.gz MZPXMEYCFHUUGJ-JSGCOSHPSA-N 1 2 249.354 2.925 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(Cl)cc1F ZINC000042222202 358519243 /nfs/dbraw/zinc/51/92/43/358519243.db2.gz LPHXMDQVQMCMSS-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO CC[C@@H](C)Cc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351224079 366454463 /nfs/dbraw/zinc/45/44/63/366454463.db2.gz CBGULABLSDMOOR-SNVBAGLBSA-N 1 2 245.326 2.952 20 0 BFADLO C[C@H](Cn1cc[nH+]c1)Nc1nc2ccccc2o1 ZINC000049235888 358677124 /nfs/dbraw/zinc/67/71/24/358677124.db2.gz AGXVABGPAQEHPB-SNVBAGLBSA-N 1 2 242.282 2.525 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C2CCOCC2)cc[nH+]1 ZINC000131892665 358698777 /nfs/dbraw/zinc/69/87/77/358698777.db2.gz JOKYGGJJRLFVFU-NSHDSACASA-N 1 2 249.358 2.827 20 0 BFADLO COC[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000053173430 358814733 /nfs/dbraw/zinc/81/47/33/358814733.db2.gz RMGCOBWKRWYWOJ-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO CC[C@@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000134314925 358786770 /nfs/dbraw/zinc/78/67/70/358786770.db2.gz WZHXZXFJRLZOAV-DGCLKSJQSA-N 1 2 220.316 2.617 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(Cl)cc1 ZINC000054459547 358863087 /nfs/dbraw/zinc/86/30/87/358863087.db2.gz YYEQUZJJDWIOBV-JTQLQIEISA-N 1 2 247.729 2.981 20 0 BFADLO CC[C@H](NC(=O)c1ccc(C)s1)c1[nH]cc[nH+]1 ZINC000140473450 358922428 /nfs/dbraw/zinc/92/24/28/358922428.db2.gz AJQUSMVHUUNCFH-VIFPVBQESA-N 1 2 249.339 2.661 20 0 BFADLO CC[C@H](NC(=O)c1cccc(C)c1)c1[nH]cc[nH+]1 ZINC000140680006 358924829 /nfs/dbraw/zinc/92/48/29/358924829.db2.gz AVAMJYUDJHSBHG-LBPRGKRZSA-N 1 2 243.310 2.599 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C1CC1)C1CC1 ZINC000626559517 358953791 /nfs/dbraw/zinc/95/37/91/358953791.db2.gz DNDYNGZIQATMAR-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO Cc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070007182 359037660 /nfs/dbraw/zinc/03/76/60/359037660.db2.gz LYIBIFUYGFGSOD-LLVKDONJSA-N 1 2 215.300 2.902 20 0 BFADLO Cc1cc(Cn2c[nH+]c3cc(C)c(C)cc32)no1 ZINC000072751651 359089858 /nfs/dbraw/zinc/08/98/58/359089858.db2.gz CUDLCYBOZQNMOA-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO Cc1cccn2cc(C[NH2+]Cc3ccco3)nc12 ZINC000072815780 359090859 /nfs/dbraw/zinc/09/08/59/359090859.db2.gz QCARWXUYLCPJQX-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO CC(C)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000073180562 359098014 /nfs/dbraw/zinc/09/80/14/359098014.db2.gz IRHKWPIHABXPCB-UHFFFAOYSA-N 1 2 243.310 2.645 20 0 BFADLO Cc1oc(-c2cccs2)nc1Cn1cc[nH+]c1 ZINC000073387700 359101348 /nfs/dbraw/zinc/10/13/48/359101348.db2.gz QAWOXYZSIIOABL-UHFFFAOYSA-N 1 2 245.307 2.956 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1cnccn1 ZINC000070479593 359057183 /nfs/dbraw/zinc/05/71/83/359057183.db2.gz YUGTWCISNWAWLM-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000247700242 359242377 /nfs/dbraw/zinc/24/23/77/359242377.db2.gz XRPQDERNIPORRL-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000247700242 359242379 /nfs/dbraw/zinc/24/23/79/359242379.db2.gz XRPQDERNIPORRL-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCC[C@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000379578488 359552920 /nfs/dbraw/zinc/55/29/20/359552920.db2.gz CAOIBNIPQIAZPH-ZDUSSCGKSA-N 1 2 239.359 2.808 20 0 BFADLO CCC[C@@H]([NH2+]CC1=CCCCC1)C(=O)OCC ZINC000379589684 359556624 /nfs/dbraw/zinc/55/66/24/359556624.db2.gz RRHMYSLMUMNSOL-CYBMUJFWSA-N 1 2 239.359 2.808 20 0 BFADLO COC[C@H](C)SCCc1cccc(C)[nH+]1 ZINC000580445913 359561865 /nfs/dbraw/zinc/56/18/65/359561865.db2.gz MGMDHXZMQYJPQG-NSHDSACASA-N 1 2 225.357 2.701 20 0 BFADLO COc1ccc(N[C@H](C)[C@@H]2C[C@H]2C2CC2)[nH+]c1 ZINC000623454494 359618567 /nfs/dbraw/zinc/61/85/67/359618567.db2.gz HHWZSRPKTTWWRL-ICCXJUOJSA-N 1 2 232.327 2.937 20 0 BFADLO CC1(F)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000631515814 359774068 /nfs/dbraw/zinc/77/40/68/359774068.db2.gz JQGFTIFKLKIBLS-UHFFFAOYSA-N 1 2 235.306 2.682 20 0 BFADLO Cc1occc1C[NH2+]Cc1ncc(Cl)s1 ZINC000309086055 491144287 /nfs/dbraw/zinc/14/42/87/491144287.db2.gz XTYDDAVWYSAVBU-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451109589 202354467 /nfs/dbraw/zinc/35/44/67/202354467.db2.gz BDAPGSYPDWLQOK-GWCFXTLKSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451109589 202354472 /nfs/dbraw/zinc/35/44/72/202354472.db2.gz BDAPGSYPDWLQOK-GWCFXTLKSA-N 1 2 245.338 2.541 20 0 BFADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451116310 202354795 /nfs/dbraw/zinc/35/47/95/202354795.db2.gz RFPQEXMNWJWZSX-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451116310 202354798 /nfs/dbraw/zinc/35/47/98/202354798.db2.gz RFPQEXMNWJWZSX-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO C[C@H](O)CCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000451059332 202341084 /nfs/dbraw/zinc/34/10/84/202341084.db2.gz COABNPJDJVASDN-JQWIXIFHSA-N 1 2 243.297 2.743 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1nnc(C(C)C)s1 ZINC000451065496 202343303 /nfs/dbraw/zinc/34/33/03/202343303.db2.gz LETSTMYMPOXFTB-SECBINFHSA-N 1 2 225.361 2.646 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1nnc(C(C)C)s1 ZINC000451065496 202343304 /nfs/dbraw/zinc/34/33/04/202343304.db2.gz LETSTMYMPOXFTB-SECBINFHSA-N 1 2 225.361 2.646 20 0 BFADLO C[C@H]1CCC[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000578634753 366614100 /nfs/dbraw/zinc/61/41/00/366614100.db2.gz IBLRSCQPZSRGHW-QWRGUYRKSA-N 1 2 249.358 2.587 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000578634752 366614460 /nfs/dbraw/zinc/61/44/60/366614460.db2.gz IBLRSCQPZSRGHW-MNOVXSKESA-N 1 2 249.358 2.587 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(C)ccc1OC ZINC000090169769 360060532 /nfs/dbraw/zinc/06/05/32/360060532.db2.gz DODCPXZUJPNZEQ-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)c(C)c1 ZINC000090173047 360062497 /nfs/dbraw/zinc/06/24/97/360062497.db2.gz GVLPRKXTONJRQC-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccsc1 ZINC000093359639 360237192 /nfs/dbraw/zinc/23/71/92/360237192.db2.gz FKLCFXOLCCSBKD-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccsc1 ZINC000093359639 360237196 /nfs/dbraw/zinc/23/71/96/360237196.db2.gz FKLCFXOLCCSBKD-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000094518788 360309953 /nfs/dbraw/zinc/30/99/53/360309953.db2.gz SIFRSWDVILXELA-UHFFFAOYSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1ccc(NC(=O)c2cccc(O)c2)c(C)[nH+]1 ZINC000094666426 360314937 /nfs/dbraw/zinc/31/49/37/360314937.db2.gz YZKMCZZFZVWVDL-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO Cc1nc(N[C@@H](C2CCC2)[C@H]2CCCO2)cc[nH+]1 ZINC000631526127 360598663 /nfs/dbraw/zinc/59/86/63/360598663.db2.gz ZBGTWQCFLHLSPL-OCCSQVGLSA-N 1 2 247.342 2.545 20 0 BFADLO FC(F)C1([NH2+]Cc2cccnc2)CCCC1 ZINC000309554191 491151332 /nfs/dbraw/zinc/15/13/32/491151332.db2.gz GZFMMAIGULXUKD-UHFFFAOYSA-N 1 2 226.270 2.749 20 0 BFADLO Cc1cc2[nH+]cn(CCc3cnoc3)c2cc1C ZINC000629174486 360920083 /nfs/dbraw/zinc/92/00/83/360920083.db2.gz DEZPXOJWDFJLDA-UHFFFAOYSA-N 1 2 241.294 2.884 20 0 BFADLO CC(C)c1c[nH]c(SCCn2cc[nH+]c2)n1 ZINC000629224071 360957115 /nfs/dbraw/zinc/95/71/15/360957115.db2.gz ZSSUHFABPSGLAK-UHFFFAOYSA-N 1 2 236.344 2.522 20 0 BFADLO C[C@@H]1C[C@@H]1COc1ccccc1-n1cc[nH+]c1 ZINC000629357779 361002158 /nfs/dbraw/zinc/00/21/58/361002158.db2.gz BPUPWRROSWLLAH-VXGBXAGGSA-N 1 2 228.295 2.907 20 0 BFADLO C[C@H]1C[C@H]1COc1ccccc1-n1cc[nH+]c1 ZINC000629357778 361002553 /nfs/dbraw/zinc/00/25/53/361002553.db2.gz BPUPWRROSWLLAH-RYUDHWBXSA-N 1 2 228.295 2.907 20 0 BFADLO C[NH2+]c1ccc(NCc2c(C)n[nH]c2C)cc1 ZINC000629389584 361036552 /nfs/dbraw/zinc/03/65/52/361036552.db2.gz OJSJRXOULMZLMI-UHFFFAOYSA-N 1 2 230.315 2.680 20 0 BFADLO CCc1cc[nH+]cc1NCc1cc(C)no1 ZINC000631167973 361119221 /nfs/dbraw/zinc/11/92/21/361119221.db2.gz DNLTYNUBMJDIDO-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO Cc1ccncc1C[NH2+][C@H]1CCCC1(F)F ZINC000309716651 491154896 /nfs/dbraw/zinc/15/48/96/491154896.db2.gz UBRRVUDZYVDDCY-NSHDSACASA-N 1 2 226.270 2.667 20 0 BFADLO CCC1(C[NH+]=c2[nH]c3ccc(F)cc3n2C)CC1 ZINC000431429781 192918977 /nfs/dbraw/zinc/91/89/77/192918977.db2.gz CLJRIUFVBNTQEJ-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO Cc1[nH]c(CNc2ccccc2N(C)C)[nH+]c1C ZINC000579253257 366748101 /nfs/dbraw/zinc/74/81/01/366748101.db2.gz NGHJANIZXZVSIG-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ncccn1)c1cccnc1 ZINC000579376697 366774199 /nfs/dbraw/zinc/77/41/99/366774199.db2.gz BDQRVSMTEGASLF-CYBMUJFWSA-N 1 2 242.326 2.503 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429578071 201117681 /nfs/dbraw/zinc/11/76/81/201117681.db2.gz RNWCRHUPMFHSSN-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)no1 ZINC000429578071 201117683 /nfs/dbraw/zinc/11/76/83/201117683.db2.gz RNWCRHUPMFHSSN-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO C[C@@H](O)[C@@H]([NH2+]Cc1ccco1)c1ccccc1F ZINC000579481403 366826818 /nfs/dbraw/zinc/82/68/18/366826818.db2.gz DTLVMQUTMJYMMD-QMTHXVAHSA-N 1 2 249.285 2.630 20 0 BFADLO CN(Cc1cc(F)cc(F)c1)c1cccc[nH+]1 ZINC000433790623 201193019 /nfs/dbraw/zinc/19/30/19/201193019.db2.gz YZZJECBAWQBWMI-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO CCC[C@@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433771631 201194168 /nfs/dbraw/zinc/19/41/68/201194168.db2.gz SCOSRJWBEWQRMK-SECBINFHSA-N 1 2 232.331 2.891 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2ccsc2)c[nH+]1 ZINC000629691042 361617583 /nfs/dbraw/zinc/61/75/83/361617583.db2.gz QAXLWIRFMUXMEF-GFCCVEGCSA-N 1 2 248.351 2.993 20 0 BFADLO COCCOCc1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000629704020 361633923 /nfs/dbraw/zinc/63/39/23/361633923.db2.gz PUUFYAFQLGPXIM-UHFFFAOYSA-N 1 2 246.310 2.548 20 0 BFADLO CC(C)N(C)c1ccc(-c2cccnc2)c[nH+]1 ZINC000629712324 361648673 /nfs/dbraw/zinc/64/86/73/361648673.db2.gz OQJIBMZVSXWQJU-UHFFFAOYSA-N 1 2 227.311 2.988 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)C1CC(C)(C)C1 ZINC000448558113 201266048 /nfs/dbraw/zinc/26/60/48/201266048.db2.gz XUUWIAOIYHDQCO-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)C1CC(C)(C)C1 ZINC000448558113 201266051 /nfs/dbraw/zinc/26/60/51/201266051.db2.gz XUUWIAOIYHDQCO-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000436461859 201325843 /nfs/dbraw/zinc/32/58/43/201325843.db2.gz BBSRLBBNBJOKLP-MNOVXSKESA-N 1 2 227.311 2.652 20 0 BFADLO Cc1cc(CN(C)c2cc[nH+]c(C)n2)ccc1F ZINC000436426000 201326716 /nfs/dbraw/zinc/32/67/16/201326716.db2.gz UXXRHSQVCHEAQX-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000436470792 201329415 /nfs/dbraw/zinc/32/94/15/201329415.db2.gz SSDWXJVGCVOOLC-PSASIEDQSA-N 1 2 230.315 2.867 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437580938 201356992 /nfs/dbraw/zinc/35/69/92/201356992.db2.gz RGTQVWQNXHEZRW-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437580938 201356994 /nfs/dbraw/zinc/35/69/94/201356994.db2.gz RGTQVWQNXHEZRW-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO Cc1cc(N[C@H]2CCOC2(C)C)nc(C(C)C)[nH+]1 ZINC000328237570 363862883 /nfs/dbraw/zinc/86/28/83/363862883.db2.gz AAVMWOPAADCYCV-NSHDSACASA-N 1 2 249.358 2.888 20 0 BFADLO Cn1cc[nH+]c1-c1cccc2c1NCC2(C)C ZINC000630497479 364187025 /nfs/dbraw/zinc/18/70/25/364187025.db2.gz KSFKTEAQQJXKON-UHFFFAOYSA-N 1 2 227.311 2.790 20 0 BFADLO CCC[C@H]1C[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000579494889 366833810 /nfs/dbraw/zinc/83/38/10/366833810.db2.gz DYSXAZGLSCHRGE-QWRGUYRKSA-N 1 2 205.305 2.694 20 0 BFADLO CCCCc1cc(N[C@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000631130902 364532490 /nfs/dbraw/zinc/53/24/90/364532490.db2.gz PUQDGQOHIFSXGC-VXGBXAGGSA-N 1 2 249.358 2.656 20 0 BFADLO CCOC[C@@H](Nc1cc(CC)[nH+]cn1)C(C)C ZINC000233761068 541388070 /nfs/dbraw/zinc/38/80/70/541388070.db2.gz MWOQQXUBHAGNGJ-GFCCVEGCSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccco2)on1 ZINC000168171935 364872885 /nfs/dbraw/zinc/87/28/85/364872885.db2.gz LDLDDXGGXOUGQM-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1F ZINC000573655588 364884698 /nfs/dbraw/zinc/88/46/98/364884698.db2.gz YJJMESQFIDNLDI-BETUJISGSA-N 1 2 248.276 2.727 20 0 BFADLO F[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1F ZINC000573655588 364884701 /nfs/dbraw/zinc/88/47/01/364884701.db2.gz YJJMESQFIDNLDI-BETUJISGSA-N 1 2 248.276 2.727 20 0 BFADLO C[C@H]1CC[C@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000235629533 541391818 /nfs/dbraw/zinc/39/18/18/541391818.db2.gz KRKLJKRLKAGYOG-YUMQZZPRSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@H]1CC[C@H](CNc2[nH+]cnc(N)c2Cl)C1 ZINC000235629533 541391820 /nfs/dbraw/zinc/39/18/20/541391820.db2.gz KRKLJKRLKAGYOG-YUMQZZPRSA-N 1 2 240.738 2.560 20 0 BFADLO c1cc(C[NH2+][C@H]2CSCc3ccccc32)no1 ZINC000148736662 541402373 /nfs/dbraw/zinc/40/23/73/541402373.db2.gz DXGAGCMTXDMXSQ-ZDUSSCGKSA-N 1 2 246.335 2.752 20 0 BFADLO Cc1nnsc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000574759432 365138780 /nfs/dbraw/zinc/13/87/80/365138780.db2.gz HUMTZTIXQADZRP-LBPRGKRZSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1nnsc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000574759432 365138785 /nfs/dbraw/zinc/13/87/85/365138785.db2.gz HUMTZTIXQADZRP-LBPRGKRZSA-N 1 2 245.351 2.794 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(F)F ZINC000574856109 365160916 /nfs/dbraw/zinc/16/09/16/365160916.db2.gz WNYNAVJBDDHGJC-VIFPVBQESA-N 1 2 240.297 2.704 20 0 BFADLO c1cc2[nH+]ccc(NC[C@H]3CC=CCC3)c2cn1 ZINC000444117591 193035196 /nfs/dbraw/zinc/03/51/96/193035196.db2.gz ZLKYFYZYHXJZLB-LBPRGKRZSA-N 1 2 239.322 2.820 20 0 BFADLO C[C@@H]1CCCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443412694 193021408 /nfs/dbraw/zinc/02/14/08/193021408.db2.gz JVLVJDIYKXGBMC-SNVBAGLBSA-N 1 2 247.317 2.949 20 0 BFADLO CCCN(C)c1[nH+]c2cccc(F)c2n1C ZINC000443513825 193023028 /nfs/dbraw/zinc/02/30/28/193023028.db2.gz CWSDKEKIMNONRF-UHFFFAOYSA-N 1 2 221.279 2.559 20 0 BFADLO Cc1cccc(CCSC[C@H]2CCCO2)[nH+]1 ZINC000575867380 365395212 /nfs/dbraw/zinc/39/52/12/365395212.db2.gz NMXFXIVAIAUXKQ-CYBMUJFWSA-N 1 2 237.368 2.845 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cccc(O)c1 ZINC000575825222 365375124 /nfs/dbraw/zinc/37/51/24/365375124.db2.gz ZLLMKULIAJNKOM-SNVBAGLBSA-N 1 2 246.285 2.777 20 0 BFADLO Cc1nc(N(C)CCCc2ccccc2)cc[nH+]1 ZINC000174687374 365507689 /nfs/dbraw/zinc/50/76/89/365507689.db2.gz NBTXBVDPJUXMOT-UHFFFAOYSA-N 1 2 241.338 2.854 20 0 BFADLO CCc1cnccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000182500906 366912535 /nfs/dbraw/zinc/91/25/35/366912535.db2.gz PXUPZBHEPXEKPP-UHFFFAOYSA-N 1 2 241.294 2.600 20 0 BFADLO c1c[nH+]c(COCCSc2ccccc2)[nH]1 ZINC000180057309 541506989 /nfs/dbraw/zinc/50/69/89/541506989.db2.gz UECBVGNSIMVKPP-UHFFFAOYSA-N 1 2 234.324 2.719 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000180004331 541507108 /nfs/dbraw/zinc/50/71/08/541507108.db2.gz NQHQOWKWJSOMMU-UWVGGRQHSA-N 1 2 230.315 2.525 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000579858939 367055133 /nfs/dbraw/zinc/05/51/33/367055133.db2.gz BKDBOKNSNFZPGA-KKOKHZNYSA-N 1 2 249.358 2.659 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N1CCCCC1 ZINC000580012363 367122496 /nfs/dbraw/zinc/12/24/96/367122496.db2.gz WMWGDVQVTGESQJ-UHFFFAOYSA-N 1 2 247.342 2.661 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C(C)(C)C)C1 ZINC000579973237 367109681 /nfs/dbraw/zinc/10/96/81/367109681.db2.gz XAMLIPLLIASTIT-GFCCVEGCSA-N 1 2 233.359 2.966 20 0 BFADLO Cc1cncc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000381316118 367379786 /nfs/dbraw/zinc/37/97/86/367379786.db2.gz SLZWCSDFQGJERY-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@H](CNc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000381348661 367385855 /nfs/dbraw/zinc/38/58/55/367385855.db2.gz ZUARNUPYOFWXBM-NSHDSACASA-N 1 2 215.300 2.700 20 0 BFADLO CSc1ccc(NCc2[nH]c(C)c(C)[nH+]2)nc1 ZINC000581380713 367412871 /nfs/dbraw/zinc/41/28/71/367412871.db2.gz CRGIDNJVHKXCMY-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO C[C@@H]1CC[C@@H](CC(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581434536 367469766 /nfs/dbraw/zinc/46/97/66/367469766.db2.gz CVQMIXXZCRIXDR-GHMZBOCLSA-N 1 2 249.358 2.587 20 0 BFADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cn1 ZINC000382047931 367482127 /nfs/dbraw/zinc/48/21/27/367482127.db2.gz CMNNJSCECAOKTA-SECBINFHSA-N 1 2 232.249 2.917 20 0 BFADLO CCc1cc(N)nc(SCC2CCCC2)[nH+]1 ZINC000381595719 367434773 /nfs/dbraw/zinc/43/47/73/367434773.db2.gz FHZCXNGLODBKMC-UHFFFAOYSA-N 1 2 237.372 2.734 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)CC(F)(F)F ZINC000566020567 325986108 /nfs/dbraw/zinc/98/61/08/325986108.db2.gz VBZWIOJROLEZOB-ZETCQYMHSA-N 1 2 247.264 2.516 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000385208665 367809325 /nfs/dbraw/zinc/80/93/25/367809325.db2.gz PFQBSKHXUUXDIN-HTQZYQBOSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000385208665 367809329 /nfs/dbraw/zinc/80/93/29/367809329.db2.gz PFQBSKHXUUXDIN-HTQZYQBOSA-N 1 2 240.738 2.559 20 0 BFADLO c1cc(CNc2cccc[nH+]2)n(CC2CCC2)n1 ZINC000630950751 368146784 /nfs/dbraw/zinc/14/67/84/368146784.db2.gz BNOZWTDOLKQLIL-UHFFFAOYSA-N 1 2 242.326 2.690 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nc(C)no2)cc1 ZINC000042298097 368302603 /nfs/dbraw/zinc/30/26/03/368302603.db2.gz MTGMQJUZYWOCED-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nc(C)no2)cc1 ZINC000042298097 368302612 /nfs/dbraw/zinc/30/26/12/368302612.db2.gz MTGMQJUZYWOCED-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@H]1CC[N@H+](CC(=O)c2ccccc2F)C[C@H]1C ZINC000253060778 368421047 /nfs/dbraw/zinc/42/10/47/368421047.db2.gz DKHSEEGWEPGZPG-NWDGAFQWSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@H]1CC[N@@H+](CC(=O)c2ccccc2F)C[C@H]1C ZINC000253060778 368421058 /nfs/dbraw/zinc/42/10/58/368421058.db2.gz DKHSEEGWEPGZPG-NWDGAFQWSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000056282215 368466309 /nfs/dbraw/zinc/46/63/09/368466309.db2.gz FLIBAYULJPCGLW-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCO[C@H](C)C1 ZINC000056282215 368466319 /nfs/dbraw/zinc/46/63/19/368466319.db2.gz FLIBAYULJPCGLW-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO CCCC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000059327125 368531299 /nfs/dbraw/zinc/53/12/99/368531299.db2.gz DAABMJAOOFGRRR-UHFFFAOYSA-N 1 2 243.310 2.826 20 0 BFADLO COc1ccccc1CN(C)c1cccc[nH+]1 ZINC000067949060 368708008 /nfs/dbraw/zinc/70/80/08/368708008.db2.gz AHIGQOLHRDWRHN-UHFFFAOYSA-N 1 2 228.295 2.727 20 0 BFADLO COc1cccc(CN(C)c2cccc[nH+]2)c1 ZINC000067948984 368708522 /nfs/dbraw/zinc/70/85/22/368708522.db2.gz OWEGOIUJNJZCKS-UHFFFAOYSA-N 1 2 228.295 2.727 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456842559 202983596 /nfs/dbraw/zinc/98/35/96/202983596.db2.gz PWRZGCFIWYZBSN-ZWNOBZJWSA-N 1 2 248.370 2.997 20 0 BFADLO CN(CCOc1ccc(F)cc1)c1cccc[nH+]1 ZINC000070793646 368765485 /nfs/dbraw/zinc/76/54/85/368765485.db2.gz PDFYKVJVEOXXCO-UHFFFAOYSA-N 1 2 246.285 2.736 20 0 BFADLO Cc1cccn2c(NC(=O)CC3CCC3)c[nH+]c12 ZINC000619014634 368958070 /nfs/dbraw/zinc/95/80/70/368958070.db2.gz RACUYODKSHAFLA-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC[C@@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000618954549 369246048 /nfs/dbraw/zinc/24/60/48/369246048.db2.gz VZVXJSJOCAJPDJ-BXUZGUMPSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cccn2c(NC(=O)C3(C)CCC3)c[nH+]c12 ZINC000619014587 369257436 /nfs/dbraw/zinc/25/74/36/369257436.db2.gz PLBIFTQPGWZFSE-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CCCN(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459107663 203234718 /nfs/dbraw/zinc/23/47/18/203234718.db2.gz DSBMXAOALUTWSF-UHFFFAOYSA-N 1 2 249.358 2.640 20 0 BFADLO C[C@@H]([NH2+]C1CC2(CCC2)C1)C(=O)OC(C)(C)C ZINC000459482756 203291321 /nfs/dbraw/zinc/29/13/21/203291321.db2.gz RLTGSBPPNODHIS-SNVBAGLBSA-N 1 2 239.359 2.639 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccs1 ZINC000623680446 369389493 /nfs/dbraw/zinc/38/94/93/369389493.db2.gz LPAGGIUGCUWYSW-UHFFFAOYSA-N 1 2 205.273 2.883 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccccc1OC ZINC000623680681 369390428 /nfs/dbraw/zinc/39/04/28/369390428.db2.gz VBNDNNLBRBUJCX-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C1CC1 ZINC000619433213 369351391 /nfs/dbraw/zinc/35/13/91/369351391.db2.gz CYYRYVPDOLZXNK-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C1CC1 ZINC000619433213 369351397 /nfs/dbraw/zinc/35/13/97/369351397.db2.gz CYYRYVPDOLZXNK-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO CCCOc1cccc(C[NH+]2CC(OCC)C2)c1 ZINC000459603830 203314413 /nfs/dbraw/zinc/31/44/13/203314413.db2.gz ISFUOKHQYJNHDU-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Cc1cc(F)c(C[N@@H+](C)[C@H](C)CO)c(Cl)c1 ZINC000459553248 203297789 /nfs/dbraw/zinc/29/77/89/203297789.db2.gz ALWWUBVKGMSQLN-SECBINFHSA-N 1 2 245.725 2.600 20 0 BFADLO Cc1cc(F)c(C[N@H+](C)[C@H](C)CO)c(Cl)c1 ZINC000459553248 203297792 /nfs/dbraw/zinc/29/77/92/203297792.db2.gz ALWWUBVKGMSQLN-SECBINFHSA-N 1 2 245.725 2.600 20 0 BFADLO CCOC1C[NH+](Cc2ccc(SC)s2)C1 ZINC000459603358 203315194 /nfs/dbraw/zinc/31/51/94/203315194.db2.gz HPSWIOAFSFAHOX-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459574080 203305276 /nfs/dbraw/zinc/30/52/76/203305276.db2.gz SQJMAJKVDIMQCM-UHFFFAOYSA-N 1 2 225.282 2.961 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(C)c(F)c2)C1 ZINC000459627967 203321493 /nfs/dbraw/zinc/32/14/93/203321493.db2.gz XPRTZFXLUAAESU-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO CCOc1cccc(C[NH+]2CC(C)(OCC)C2)c1 ZINC000459623204 203322281 /nfs/dbraw/zinc/32/22/81/203322281.db2.gz ZBRMEFPVQRZRQM-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CC1(CC(F)(F)F)C[NH+](Cc2cccnc2)C1 ZINC000459644662 203328632 /nfs/dbraw/zinc/32/86/32/203328632.db2.gz XESSKXTVUGFKRU-UHFFFAOYSA-N 1 2 244.260 2.856 20 0 BFADLO Cc1cccc(CNc2cc[nH+]c(C(C)C)n2)n1 ZINC000110247387 369670067 /nfs/dbraw/zinc/67/00/67/369670067.db2.gz MEBAFCGDTXKKBR-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648901 369972700 /nfs/dbraw/zinc/97/27/00/369972700.db2.gz OETHUBTTYVFPDK-VIFPVBQESA-N 1 2 231.299 2.627 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@H]3CC3(C)C)cc2[nH+]1 ZINC000620650489 369972868 /nfs/dbraw/zinc/97/28/68/369972868.db2.gz YMJMZMAJHPFQQJ-LLVKDONJSA-N 1 2 243.310 2.627 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)C1CCCCC1 ZINC000074859405 370048325 /nfs/dbraw/zinc/04/83/25/370048325.db2.gz RGMZCOKDJYJUOK-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C[C@H]1OCC[C@H]1CSc1[nH+]cc2ccccn21 ZINC000631003892 370075941 /nfs/dbraw/zinc/07/59/41/370075941.db2.gz ARPIVMFOZFYUMZ-MNOVXSKESA-N 1 2 248.351 2.851 20 0 BFADLO CC[C@H](c1ccccc1)[N@H+](C)Cc1nc(C)no1 ZINC000621277027 370207966 /nfs/dbraw/zinc/20/79/66/370207966.db2.gz HZSHGCCSFPFMSJ-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1nc(C)no1 ZINC000621277027 370207971 /nfs/dbraw/zinc/20/79/71/370207971.db2.gz HZSHGCCSFPFMSJ-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1ccc(NC(=O)NCC2CC(C)C2)c(C)[nH+]1 ZINC000621442448 370354777 /nfs/dbraw/zinc/35/47/77/370354777.db2.gz YYLHNUOXUAFRFH-UHFFFAOYSA-N 1 2 247.342 2.866 20 0 BFADLO CCCC[C@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000621621589 370405440 /nfs/dbraw/zinc/40/54/40/370405440.db2.gz DOIAPBCWRNWQHF-LBPRGKRZSA-N 1 2 249.358 2.895 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@@H](CCF)C1 ZINC000624399758 371500664 /nfs/dbraw/zinc/50/06/64/371500664.db2.gz VLKJYPUYXXARNE-NSHDSACASA-N 1 2 238.306 2.666 20 0 BFADLO COc1ccc[nH+]c1NCC1CC(C)C1 ZINC000624413434 371502691 /nfs/dbraw/zinc/50/26/91/371502691.db2.gz GIMUIFUKFZQXOQ-UHFFFAOYSA-N 1 2 206.289 2.548 20 0 BFADLO CCc1noc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000126282991 371510455 /nfs/dbraw/zinc/51/04/55/371510455.db2.gz ZKFGPLLLQCIJFR-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO FC1(F)CCCN(c2cccc[nH+]2)CC1 ZINC000624520414 371526186 /nfs/dbraw/zinc/52/61/86/371526186.db2.gz MGCUMCPUOJUTIE-UHFFFAOYSA-N 1 2 212.243 2.707 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)c1ccccn1 ZINC000624384766 371496983 /nfs/dbraw/zinc/49/69/83/371496983.db2.gz CZHROEIALDPILB-LLVKDONJSA-N 1 2 243.310 2.701 20 0 BFADLO CC1C[NH+](Cc2ccc(Br)s2)C1 ZINC000133387866 372035824 /nfs/dbraw/zinc/03/58/24/372035824.db2.gz DJYONAFBSJACKH-UHFFFAOYSA-N 1 2 246.173 2.962 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)on1 ZINC000631163976 372213914 /nfs/dbraw/zinc/21/39/14/372213914.db2.gz WFTJVFBVDBMKNS-ZIAGYGMSSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2nccn2C)c(F)c1 ZINC000631176668 372217538 /nfs/dbraw/zinc/21/75/38/372217538.db2.gz GTVRFRKTHJAZSU-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO CCCCc1cc(NCCC(F)(F)F)nc[nH+]1 ZINC000631136223 372205165 /nfs/dbraw/zinc/20/51/65/372205165.db2.gz JRAUAWCDTAORKB-UHFFFAOYSA-N 1 2 247.264 2.605 20 0 BFADLO C[C@H](O)[C@H]1CCCN1c1cc2ccccc2c[nH+]1 ZINC000631362074 372315029 /nfs/dbraw/zinc/31/50/29/372315029.db2.gz UABUKKNKHSRONL-SMDDNHRTSA-N 1 2 242.322 2.584 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@@H]1CCCC12CC2 ZINC000631421126 372352640 /nfs/dbraw/zinc/35/26/40/372352640.db2.gz ZBKYZYJXRHHWBU-SNVBAGLBSA-N 1 2 233.315 2.538 20 0 BFADLO Cc1cc(N[C@H](C)CC2CCC2)nc[nH+]1 ZINC000631517643 372405660 /nfs/dbraw/zinc/40/56/60/372405660.db2.gz FQYBBRVGASIYNO-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO COC(=O)C1([NH2+][C@@H]2C=CCCC2)CCCCC1 ZINC000171934660 372832477 /nfs/dbraw/zinc/83/24/77/372832477.db2.gz KBHIDBXNMYMZQA-GFCCVEGCSA-N 1 2 237.343 2.561 20 0 BFADLO CC[C@H](C)Cc1noc(Cc2c[nH+]ccc2C)n1 ZINC000632250272 372832753 /nfs/dbraw/zinc/83/27/53/372832753.db2.gz IHOKOPYANKXYFJ-JTQLQIEISA-N 1 2 245.326 2.952 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000171990352 372846951 /nfs/dbraw/zinc/84/69/51/372846951.db2.gz XBBQZFNXTCURSK-LBPRGKRZSA-N 1 2 225.282 2.959 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000171990352 372846957 /nfs/dbraw/zinc/84/69/57/372846957.db2.gz XBBQZFNXTCURSK-LBPRGKRZSA-N 1 2 225.282 2.959 20 0 BFADLO Cc1cccnc1[C@H]([NH2+]CC(F)F)C(C)C ZINC000172817710 373085572 /nfs/dbraw/zinc/08/55/72/373085572.db2.gz OGLWLPBLAATVGQ-LLVKDONJSA-N 1 2 228.286 2.942 20 0 BFADLO Cc1sccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000634215973 374035511 /nfs/dbraw/zinc/03/55/11/374035511.db2.gz MENDMGHCOVBTRQ-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1sccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000634215973 374035518 /nfs/dbraw/zinc/03/55/18/374035518.db2.gz MENDMGHCOVBTRQ-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(F)F)C1 ZINC000174349730 374183408 /nfs/dbraw/zinc/18/34/08/374183408.db2.gz RPXLKCXYHDMJGJ-DTWKUNHWSA-N 1 2 223.332 2.858 20 0 BFADLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(F)F)C1 ZINC000174349730 374183416 /nfs/dbraw/zinc/18/34/16/374183416.db2.gz RPXLKCXYHDMJGJ-DTWKUNHWSA-N 1 2 223.332 2.858 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2ccc(C)cc2C)n1 ZINC000042503281 374272076 /nfs/dbraw/zinc/27/20/76/374272076.db2.gz CQILVJHHCXTNHO-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2ccc(C)cc2C)n1 ZINC000042503281 374272081 /nfs/dbraw/zinc/27/20/81/374272081.db2.gz CQILVJHHCXTNHO-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000440483378 206077267 /nfs/dbraw/zinc/07/72/67/206077267.db2.gz FSROOHGEOBVOPP-NSHDSACASA-N 1 2 225.282 2.932 20 0 BFADLO CC[C@H](F)C[N@H+]1CCc2cccc(F)c2C1 ZINC000440483378 206077271 /nfs/dbraw/zinc/07/72/71/206077271.db2.gz FSROOHGEOBVOPP-NSHDSACASA-N 1 2 225.282 2.932 20 0 BFADLO CC[C@H](F)COc1cccc(-n2cc[nH+]c2)c1 ZINC000441823363 206081422 /nfs/dbraw/zinc/08/14/22/206081422.db2.gz MBEPSODIBJRYGH-NSHDSACASA-N 1 2 234.274 2.999 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)O[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000445672625 206085436 /nfs/dbraw/zinc/08/54/36/206085436.db2.gz BGSLLSQHYNXDBE-UTUOFQBUSA-N 1 2 249.358 2.602 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000355295352 182384811 /nfs/dbraw/zinc/38/48/11/182384811.db2.gz YUPIMALMFFGARF-UHFFFAOYSA-N 1 2 237.262 2.587 20 0 BFADLO CCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273902906 169026392 /nfs/dbraw/zinc/02/63/92/169026392.db2.gz JGGLDSPOAMPLCV-UHFFFAOYSA-N 1 2 231.299 2.706 20 0 BFADLO CCCCc1nc(C[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000123345594 169026802 /nfs/dbraw/zinc/02/68/02/169026802.db2.gz NABMFQBQQDNSAD-PHIMTYICSA-N 1 2 237.347 2.785 20 0 BFADLO CCCCc1nc(C[N@@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000123345594 169026804 /nfs/dbraw/zinc/02/68/04/169026804.db2.gz NABMFQBQQDNSAD-PHIMTYICSA-N 1 2 237.347 2.785 20 0 BFADLO CCCCc1nc(C[NH+]2CCC3(CC3)CC2)no1 ZINC000363482324 169026818 /nfs/dbraw/zinc/02/68/18/169026818.db2.gz YTPFIUYZVKGMTO-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339569216 169032469 /nfs/dbraw/zinc/03/24/69/169032469.db2.gz RSGHOWXQOBPWEW-AXFHLTTASA-N 1 2 237.347 2.813 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339569216 169032471 /nfs/dbraw/zinc/03/24/71/169032471.db2.gz RSGHOWXQOBPWEW-AXFHLTTASA-N 1 2 237.347 2.813 20 0 BFADLO CCCCn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000026474288 169035351 /nfs/dbraw/zinc/03/53/51/169035351.db2.gz NFGWIAKKAOENQF-LLVKDONJSA-N 1 2 247.342 2.629 20 0 BFADLO O[C@@H]1CCC[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000089166925 183196240 /nfs/dbraw/zinc/19/62/40/183196240.db2.gz RCEFVSRSZMUCME-GXTWGEPZSA-N 1 2 242.322 2.808 20 0 BFADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353179564 183217569 /nfs/dbraw/zinc/21/75/69/183217569.db2.gz JESSYQWUKVDXRW-VXGBXAGGSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353179564 183217571 /nfs/dbraw/zinc/21/75/71/183217571.db2.gz JESSYQWUKVDXRW-VXGBXAGGSA-N 1 2 247.329 2.657 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](O)c1ccccc1 ZINC000299558406 169108701 /nfs/dbraw/zinc/10/87/01/169108701.db2.gz MTYDGCWZFWNKKH-LBPRGKRZSA-N 1 2 243.297 2.697 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](O)c1ccccc1 ZINC000299558406 169108703 /nfs/dbraw/zinc/10/87/03/169108703.db2.gz MTYDGCWZFWNKKH-LBPRGKRZSA-N 1 2 243.297 2.697 20 0 BFADLO CCCN(CC)C(=O)Nc1cc[nH+]cc1C ZINC000271139576 169115473 /nfs/dbraw/zinc/11/54/73/169115473.db2.gz PPTOHQFJGWEQCJ-UHFFFAOYSA-N 1 2 221.304 2.654 20 0 BFADLO CCC[N@H+](CC)[C@H](C(=O)OC)c1ccsc1 ZINC000280164935 169132023 /nfs/dbraw/zinc/13/20/23/169132023.db2.gz XZMYBIDFDVHUEZ-NSHDSACASA-N 1 2 241.356 2.694 20 0 BFADLO CCC[N@@H+](CC)[C@H](C(=O)OC)c1ccsc1 ZINC000280164935 169132025 /nfs/dbraw/zinc/13/20/25/169132025.db2.gz XZMYBIDFDVHUEZ-NSHDSACASA-N 1 2 241.356 2.694 20 0 BFADLO Oc1cc(F)cc(CNc2cccc[nH+]2)c1 ZINC000309494740 183260071 /nfs/dbraw/zinc/26/00/71/183260071.db2.gz JVZVDKFJBZYFOA-UHFFFAOYSA-N 1 2 218.231 2.538 20 0 BFADLO CCCN(CCC)c1cc[nH+]c(C2CC2)n1 ZINC000112964348 169154496 /nfs/dbraw/zinc/15/44/96/169154496.db2.gz MTVJVRKVCYCDSJ-UHFFFAOYSA-N 1 2 219.332 2.980 20 0 BFADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1cocn1 ZINC000360995511 183296001 /nfs/dbraw/zinc/29/60/01/183296001.db2.gz IQCAHLPESDDUOU-CYBMUJFWSA-N 1 2 244.294 2.547 20 0 BFADLO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cscn1 ZINC000105486463 183296048 /nfs/dbraw/zinc/29/60/48/183296048.db2.gz GRKKORSPJZELGE-LBPRGKRZSA-N 1 2 246.335 2.626 20 0 BFADLO CCC[N@H+](CCOCC(C)C)CC(F)F ZINC000336696077 169168972 /nfs/dbraw/zinc/16/89/72/169168972.db2.gz IFSVAMQOHIDZIX-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCC[N@@H+](CCOCC(C)C)CC(F)F ZINC000336696077 169168973 /nfs/dbraw/zinc/16/89/73/169168973.db2.gz IFSVAMQOHIDZIX-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCC[N@H+](CCc1cccnc1)CC(F)F ZINC000172158341 169171019 /nfs/dbraw/zinc/17/10/19/169171019.db2.gz YRNNALDEPHRIEI-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC[N@@H+](CCc1cccnc1)CC(F)F ZINC000172158341 169171021 /nfs/dbraw/zinc/17/10/21/169171021.db2.gz YRNNALDEPHRIEI-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC[N@@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126075399 169205670 /nfs/dbraw/zinc/20/56/70/169205670.db2.gz QDAJIHJQTOAZKC-GFCCVEGCSA-N 1 2 223.316 2.625 20 0 BFADLO CCC[N@H+]1CCOC[C@@H]1c1ccc(CC)o1 ZINC000126075399 169205672 /nfs/dbraw/zinc/20/56/72/169205672.db2.gz QDAJIHJQTOAZKC-GFCCVEGCSA-N 1 2 223.316 2.625 20 0 BFADLO c1cc(NC[C@@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000288479466 183357105 /nfs/dbraw/zinc/35/71/05/183357105.db2.gz LCMYKGRZLUCPSL-JTQLQIEISA-N 1 2 249.383 2.909 20 0 BFADLO c1cc2[nH+]ccc(NCC3CCC3)c2cn1 ZINC000267182355 183377381 /nfs/dbraw/zinc/37/73/81/183377381.db2.gz FSJZVWMJFQMNHL-UHFFFAOYSA-N 1 2 213.284 2.842 20 0 BFADLO c1cc2[nH+]ccc(NC[C@H]3CCSC3)c2cn1 ZINC000279470242 183377654 /nfs/dbraw/zinc/37/76/54/183377654.db2.gz NIAQKBABNYNPKP-SNVBAGLBSA-N 1 2 245.351 2.795 20 0 BFADLO c1cn(Cc2coc(-c3ccccc3)n2)c[nH+]1 ZINC000122526974 183381593 /nfs/dbraw/zinc/38/15/93/183381593.db2.gz HGRDIXZLEBGDKW-UHFFFAOYSA-N 1 2 225.251 2.586 20 0 BFADLO c1nn(-c2ccccc2)c2c1C[N@@H+](CC1CC1)C2 ZINC000293277526 183388173 /nfs/dbraw/zinc/38/81/73/183388173.db2.gz VHBOLJPPEBUAQP-UHFFFAOYSA-N 1 2 239.322 2.598 20 0 BFADLO c1nn(-c2ccccc2)c2c1C[N@H+](CC1CC1)C2 ZINC000293277526 183388174 /nfs/dbraw/zinc/38/81/74/183388174.db2.gz VHBOLJPPEBUAQP-UHFFFAOYSA-N 1 2 239.322 2.598 20 0 BFADLO CCCOc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000051786049 169319819 /nfs/dbraw/zinc/31/98/19/169319819.db2.gz JAAIPORXSAZUKY-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCCOc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090167178 169319896 /nfs/dbraw/zinc/31/98/96/169319896.db2.gz GOVREZDWUXCJRN-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCC[C@@H](CNc1cc[nH+]c2ccncc12)OC ZINC000294962957 169385684 /nfs/dbraw/zinc/38/56/84/169385684.db2.gz NPSHACDUTXAZFW-NSHDSACASA-N 1 2 245.326 2.857 20 0 BFADLO CCC[C@@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336740043 169411583 /nfs/dbraw/zinc/41/15/83/169411583.db2.gz TYVOUORGENVJAP-SECBINFHSA-N 1 2 228.723 2.616 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(Cl)cc1 ZINC000111193029 383840231 /nfs/dbraw/zinc/84/02/31/383840231.db2.gz ZRXTWQNGBFIPDI-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(Cl)cc1 ZINC000111193029 383840240 /nfs/dbraw/zinc/84/02/40/383840240.db2.gz ZRXTWQNGBFIPDI-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)Cc1ccc(Cl)cc1 ZINC000111193029 383840244 /nfs/dbraw/zinc/84/02/44/383840244.db2.gz ZRXTWQNGBFIPDI-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CCSCC[C@H](C)Nc1cc(CC)[nH+]cn1 ZINC000127343678 383859606 /nfs/dbraw/zinc/85/96/06/383859606.db2.gz OYFIHPQHZLVGHV-JTQLQIEISA-N 1 2 239.388 2.983 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000308652735 383884055 /nfs/dbraw/zinc/88/40/55/383884055.db2.gz LWYBLJSHYHOSPA-FXQIFTODSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnn(C(C)C)c1)C(F)F ZINC000449365262 383996190 /nfs/dbraw/zinc/99/61/90/383996190.db2.gz VPVXCHKOWNCFEJ-SNVBAGLBSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc32)o1 ZINC000293880568 384000728 /nfs/dbraw/zinc/00/07/28/384000728.db2.gz FRZULSZVUMDETL-QWRGUYRKSA-N 1 2 231.299 2.580 20 0 BFADLO COC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1C ZINC000037970222 384045832 /nfs/dbraw/zinc/04/58/32/384045832.db2.gz VZBCBQKVOMCKKA-CQSZACIVSA-N 1 2 247.338 2.741 20 0 BFADLO CCCc1ccccc1NCc1c[nH+]cn1C ZINC000090165593 384032885 /nfs/dbraw/zinc/03/28/85/384032885.db2.gz DDTSTGGERPLYAU-UHFFFAOYSA-N 1 2 229.327 2.985 20 0 BFADLO CCc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000090233684 384035796 /nfs/dbraw/zinc/03/57/96/384035796.db2.gz GYPXYZPURLCXOD-UHFFFAOYSA-N 1 2 216.284 2.562 20 0 BFADLO CCCCCSc1nc(N)cc(C)[nH+]1 ZINC000077896792 384071380 /nfs/dbraw/zinc/07/13/80/384071380.db2.gz TXNBTBDCRKPXAB-UHFFFAOYSA-N 1 2 211.334 2.650 20 0 BFADLO C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000560338773 384078117 /nfs/dbraw/zinc/07/81/17/384078117.db2.gz JVHPDPCOAPBIND-FRRDWIJNSA-N 1 2 249.358 2.529 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2cc[nH]c21 ZINC000449380735 384093541 /nfs/dbraw/zinc/09/35/41/384093541.db2.gz OPGQYEDQBBYVOM-UHFFFAOYSA-N 1 2 224.254 2.565 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1c(C)noc1C ZINC000091812782 384147207 /nfs/dbraw/zinc/14/72/07/384147207.db2.gz PXLFVIDCGLGEOY-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1c(C)noc1C ZINC000091812782 384147209 /nfs/dbraw/zinc/14/72/09/384147209.db2.gz PXLFVIDCGLGEOY-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000449391261 384153237 /nfs/dbraw/zinc/15/32/37/384153237.db2.gz XULXWPFQXPDSGJ-SNVBAGLBSA-N 1 2 213.683 2.884 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000449391261 384153242 /nfs/dbraw/zinc/15/32/42/384153242.db2.gz XULXWPFQXPDSGJ-SNVBAGLBSA-N 1 2 213.683 2.884 20 0 BFADLO c1coc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729597 384191049 /nfs/dbraw/zinc/19/10/49/384191049.db2.gz ZCDFKBHCEMXAGW-GFCCVEGCSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729597 384191053 /nfs/dbraw/zinc/19/10/53/384191053.db2.gz ZCDFKBHCEMXAGW-GFCCVEGCSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000092729597 384191060 /nfs/dbraw/zinc/19/10/60/384191060.db2.gz ZCDFKBHCEMXAGW-GFCCVEGCSA-N 1 2 231.299 2.730 20 0 BFADLO CCc1ccc([C@@H]2COCC[N@@H+]2CCCF)o1 ZINC000132553138 384235819 /nfs/dbraw/zinc/23/58/19/384235819.db2.gz RWMXPFLWFIESTO-LBPRGKRZSA-N 1 2 241.306 2.575 20 0 BFADLO CCc1ccc([C@@H]2COCC[N@H+]2CCCF)o1 ZINC000132553138 384235822 /nfs/dbraw/zinc/23/58/22/384235822.db2.gz RWMXPFLWFIESTO-LBPRGKRZSA-N 1 2 241.306 2.575 20 0 BFADLO CCc1ccc([C@H]2COCC[N@@H+]2CCCF)o1 ZINC000132553345 384237204 /nfs/dbraw/zinc/23/72/04/384237204.db2.gz RWMXPFLWFIESTO-GFCCVEGCSA-N 1 2 241.306 2.575 20 0 BFADLO CCc1ccc([C@H]2COCC[N@H+]2CCCF)o1 ZINC000132553345 384237209 /nfs/dbraw/zinc/23/72/09/384237209.db2.gz RWMXPFLWFIESTO-GFCCVEGCSA-N 1 2 241.306 2.575 20 0 BFADLO c1cc([C@@H]2CCCC[N@H+]2Cc2cccnc2)n[nH]1 ZINC000072357074 384211920 /nfs/dbraw/zinc/21/19/20/384211920.db2.gz BFBKFWAXENIQNG-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)n[nH]1 ZINC000072357074 384211921 /nfs/dbraw/zinc/21/19/21/384211921.db2.gz BFBKFWAXENIQNG-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO CCC1(CNC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119201381 384245248 /nfs/dbraw/zinc/24/52/48/384245248.db2.gz DCSKHVPVZFGHHM-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO CCCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119573459 384284918 /nfs/dbraw/zinc/28/49/18/384284918.db2.gz FJNIYBILBXARCG-UHFFFAOYSA-N 1 2 221.304 2.702 20 0 BFADLO Cc1cc2[nH+]cn(CCC3(O)CCC3)c2cc1C ZINC000335477828 384294999 /nfs/dbraw/zinc/29/49/99/384294999.db2.gz WLKFNQDCXBQKSR-UHFFFAOYSA-N 1 2 244.338 2.958 20 0 BFADLO CCN(CCO)c1cc(C)[nH+]c2c(F)cccc12 ZINC000119738616 384298760 /nfs/dbraw/zinc/29/87/60/384298760.db2.gz HZLDIHBFVNJWMM-UHFFFAOYSA-N 1 2 248.301 2.501 20 0 BFADLO CCCC[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000120404056 384349011 /nfs/dbraw/zinc/34/90/11/384349011.db2.gz SWGJDBWYPDBYPI-ZDUSSCGKSA-N 1 2 235.327 2.599 20 0 BFADLO CSc1ccc(N[C@H](C)[C@H]2CCOC2)[nH+]c1 ZINC000134310260 384349714 /nfs/dbraw/zinc/34/97/14/384349714.db2.gz NSYGIOSQNDZIDP-ZJUUUORDSA-N 1 2 238.356 2.640 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1C ZINC000120432060 384352168 /nfs/dbraw/zinc/35/21/68/384352168.db2.gz RZTQCMVINVEYAE-RISCZKNCSA-N 1 2 247.338 2.597 20 0 BFADLO c1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000095093049 384363109 /nfs/dbraw/zinc/36/31/09/384363109.db2.gz HTFXWAOSQODIBI-UHFFFAOYSA-N 1 2 210.280 2.597 20 0 BFADLO c1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000095093049 384363117 /nfs/dbraw/zinc/36/31/17/384363117.db2.gz HTFXWAOSQODIBI-UHFFFAOYSA-N 1 2 210.280 2.597 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000045017395 384369214 /nfs/dbraw/zinc/36/92/14/384369214.db2.gz BUQWEQCBWCRRLL-JTQLQIEISA-N 1 2 239.315 2.541 20 0 BFADLO CC(C)(C)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120135466 384331732 /nfs/dbraw/zinc/33/17/32/384331732.db2.gz ZHTPGSMNPUFWEL-LLVKDONJSA-N 1 2 249.358 2.900 20 0 BFADLO C/C=C/C=C/C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120195335 384335062 /nfs/dbraw/zinc/33/50/62/384335062.db2.gz GGKRLVXFGPDEAD-CVDZTHMFSA-N 1 2 245.326 2.596 20 0 BFADLO CCC[C@H]1C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121235639 384404398 /nfs/dbraw/zinc/40/43/98/384404398.db2.gz SEXRRNHSEFWPPD-CMPLNLGQSA-N 1 2 233.315 2.700 20 0 BFADLO CC[C@H]([NH2+][C@@H](CC)c1ccccc1)C(=O)OC ZINC000134974085 384405094 /nfs/dbraw/zinc/40/50/94/384405094.db2.gz FDGLZYDVNJDKHC-STQMWFEESA-N 1 2 235.327 2.679 20 0 BFADLO Cc1cc[nH+]cc1NC[C@H]1CCSC1 ZINC000224422794 384405713 /nfs/dbraw/zinc/40/57/13/384405713.db2.gz YYVGERBYILITMP-SNVBAGLBSA-N 1 2 208.330 2.555 20 0 BFADLO Cc1ccc(CNc2ccc(C)[nH+]c2)o1 ZINC000096033314 384423707 /nfs/dbraw/zinc/42/37/07/384423707.db2.gz ZEWMBQRQBSVKDY-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1nc(N2CCCCC2)c2c([nH+]1)CCCC2 ZINC000121519109 384423756 /nfs/dbraw/zinc/42/37/56/384423756.db2.gz LAWBYQQRWGQMKH-UHFFFAOYSA-N 1 2 231.343 2.654 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000121918935 384444034 /nfs/dbraw/zinc/44/40/34/384444034.db2.gz OFKNOKXUPJHGQN-JQWIXIFHSA-N 1 2 247.342 2.900 20 0 BFADLO CCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OCC ZINC000187338714 384440975 /nfs/dbraw/zinc/44/09/75/384440975.db2.gz JVFITOYMSZLLKQ-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625182258 384444005 /nfs/dbraw/zinc/44/40/05/384444005.db2.gz DJAREOSBFGBSHR-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625182258 384444014 /nfs/dbraw/zinc/44/40/14/384444014.db2.gz DJAREOSBFGBSHR-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)n1 ZINC000122167385 384463038 /nfs/dbraw/zinc/46/30/38/384463038.db2.gz XLWHDQJTGGWKQE-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1c[nH+]c(CNc2cccc(Cl)c2)n1C ZINC000309701777 384544328 /nfs/dbraw/zinc/54/43/28/384544328.db2.gz MWYSCKXWUCAMKU-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049714583 384557286 /nfs/dbraw/zinc/55/72/86/384557286.db2.gz ICJOKHHGSOZGRH-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO CSc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049714978 384559979 /nfs/dbraw/zinc/55/99/79/384559979.db2.gz UEDMCJHGSTWPDW-UHFFFAOYSA-N 1 2 219.313 2.744 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccco1 ZINC000080240178 384539908 /nfs/dbraw/zinc/53/99/08/384539908.db2.gz HOSNKCDGBJDWPW-GFCCVEGCSA-N 1 2 235.283 2.658 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CCOC[C@@H]2C)c1Cl ZINC000309733392 384572922 /nfs/dbraw/zinc/57/29/22/384572922.db2.gz BRASKKPKXMFEDX-UWVGGRQHSA-N 1 2 240.734 2.880 20 0 BFADLO Cc1ccc(C)c(OCCOCc2[nH]cc[nH+]2)c1 ZINC000123806496 384586455 /nfs/dbraw/zinc/58/64/55/384586455.db2.gz SXUGRCBGAFYDRD-UHFFFAOYSA-N 1 2 246.310 2.622 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2C)cs1 ZINC000172320276 384566771 /nfs/dbraw/zinc/56/67/71/384566771.db2.gz WRZRKSHHODSFHW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2C)cs1 ZINC000172320276 384566775 /nfs/dbraw/zinc/56/67/75/384566775.db2.gz WRZRKSHHODSFHW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)c2ccccc2)CO1 ZINC000402241355 384607293 /nfs/dbraw/zinc/60/72/93/384607293.db2.gz YBTJVVAVVGLFGW-PWSUYJOCSA-N 1 2 241.281 2.545 20 0 BFADLO CC1(C)C[N@H+](CC2(F)CC2)[C@H]1c1ccncc1 ZINC000556889205 384608261 /nfs/dbraw/zinc/60/82/61/384608261.db2.gz ISEGWHZTYORRLZ-LBPRGKRZSA-N 1 2 234.318 2.967 20 0 BFADLO CC1(C)C[N@@H+](CC2(F)CC2)[C@H]1c1ccncc1 ZINC000556889205 384608265 /nfs/dbraw/zinc/60/82/65/384608265.db2.gz ISEGWHZTYORRLZ-LBPRGKRZSA-N 1 2 234.318 2.967 20 0 BFADLO C[N@@H+](Cc1cscn1)C[C@H]1CCC(C)(C)O1 ZINC000184652011 384632854 /nfs/dbraw/zinc/63/28/54/384632854.db2.gz TTYUWQDLHSUVPM-LLVKDONJSA-N 1 2 240.372 2.533 20 0 BFADLO C[N@H+](Cc1cscn1)C[C@H]1CCC(C)(C)O1 ZINC000184652011 384632865 /nfs/dbraw/zinc/63/28/65/384632865.db2.gz TTYUWQDLHSUVPM-LLVKDONJSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccncc2)oc1C ZINC000162446602 384623006 /nfs/dbraw/zinc/62/30/06/384623006.db2.gz BTRYZHRSYMHBEP-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccncc2)oc1C ZINC000162446602 384623009 /nfs/dbraw/zinc/62/30/09/384623009.db2.gz BTRYZHRSYMHBEP-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc(N[C@H](C)c2ccccn2)c[nH+]1 ZINC000154249599 384598318 /nfs/dbraw/zinc/59/83/18/384598318.db2.gz QINRFYVVGNWEKC-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000171811914 384664418 /nfs/dbraw/zinc/66/44/18/384664418.db2.gz JHPBBNVYMPBHDC-QMMMGPOBSA-N 1 2 203.289 2.564 20 0 BFADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2C)c1O ZINC000104250555 384668392 /nfs/dbraw/zinc/66/83/92/384668392.db2.gz AVQOTRXFQGPQKM-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO C[N@H+](CCCc1ccccc1)CC(F)F ZINC000103488456 384636513 /nfs/dbraw/zinc/63/65/13/384636513.db2.gz MGOPABFUOJPWNE-UHFFFAOYSA-N 1 2 213.271 2.816 20 0 BFADLO C[N@@H+](CCCc1ccccc1)CC(F)F ZINC000103488456 384636518 /nfs/dbraw/zinc/63/65/18/384636518.db2.gz MGOPABFUOJPWNE-UHFFFAOYSA-N 1 2 213.271 2.816 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)CO)cc1C ZINC000184690612 384637066 /nfs/dbraw/zinc/63/70/66/384637066.db2.gz MCKCIKMUNDJXQE-NSHDSACASA-N 1 2 243.297 2.582 20 0 BFADLO C[N@H+](CCCOc1ccccc1)CC(F)F ZINC000103488983 384637018 /nfs/dbraw/zinc/63/70/18/384637018.db2.gz PXYJWZONYIDOFY-UHFFFAOYSA-N 1 2 229.270 2.652 20 0 BFADLO C[N@@H+](CCCOc1ccccc1)CC(F)F ZINC000103488983 384637022 /nfs/dbraw/zinc/63/70/22/384637022.db2.gz PXYJWZONYIDOFY-UHFFFAOYSA-N 1 2 229.270 2.652 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccoc2)cn1 ZINC000428464835 384639854 /nfs/dbraw/zinc/63/98/54/384639854.db2.gz YHECLOZNDSZBPK-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccoc2)cn1 ZINC000428464835 384639865 /nfs/dbraw/zinc/63/98/65/384639865.db2.gz YHECLOZNDSZBPK-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cccs2)nc1 ZINC000309820648 384640763 /nfs/dbraw/zinc/64/07/63/384640763.db2.gz WGAHLJWQJCFKGT-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cccs2)nc1 ZINC000309820649 384640980 /nfs/dbraw/zinc/64/09/80/384640980.db2.gz WGAHLJWQJCFKGT-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CSc1ccc(NCc2cccn2C)[nH+]c1 ZINC000124561543 384653755 /nfs/dbraw/zinc/65/37/55/384653755.db2.gz QDIVOLJXHDGNPY-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO C[C@@H](CC1CCCC1)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151635360 384658859 /nfs/dbraw/zinc/65/88/59/384658859.db2.gz CKIMCVVXVAWFAK-JTQLQIEISA-N 1 2 247.342 2.819 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccco2)sc1C ZINC000173176180 384661066 /nfs/dbraw/zinc/66/10/66/384661066.db2.gz KENCCGDFAQABGA-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccco2)sc1C ZINC000173176180 384661072 /nfs/dbraw/zinc/66/10/72/384661072.db2.gz KENCCGDFAQABGA-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000173388309 384676968 /nfs/dbraw/zinc/67/69/68/384676968.db2.gz IGKVYEMLUJNWAM-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ccccn2)s1 ZINC000125179107 384701869 /nfs/dbraw/zinc/70/18/69/384701869.db2.gz ROWCEEGVTVVSIV-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCOc1cc(F)ccc1NCc1[nH+]ccn1C ZINC000051922818 384705376 /nfs/dbraw/zinc/70/53/76/384705376.db2.gz RFQUETILHKLYSC-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO c1c(CSCC2CC2)[nH+]c2ccccn12 ZINC000125301381 384705797 /nfs/dbraw/zinc/70/57/97/384705797.db2.gz YKFKLSJIOGNSPB-UHFFFAOYSA-N 1 2 218.325 2.978 20 0 BFADLO CC[C@H](Nc1ccnc(C(C)C)n1)c1[nH]cc[nH+]1 ZINC000097104048 384706351 /nfs/dbraw/zinc/70/63/51/384706351.db2.gz KZRZOSOCUNBMTO-JTQLQIEISA-N 1 2 245.330 2.886 20 0 BFADLO CCOCCSCc1cn2ccccc2[nH+]1 ZINC000173744378 384717301 /nfs/dbraw/zinc/71/73/01/384717301.db2.gz USYPFCUWQZDDBJ-UHFFFAOYSA-N 1 2 236.340 2.604 20 0 BFADLO CC(C)c1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183878969 384729030 /nfs/dbraw/zinc/72/90/30/384729030.db2.gz KFFFRRRJDAEBBP-UHFFFAOYSA-N 1 2 243.297 2.527 20 0 BFADLO Cc1ccc(CNc2cccc(CO)[nH+]2)s1 ZINC000309707768 384750062 /nfs/dbraw/zinc/75/00/62/384750062.db2.gz PKEWNBVKIIXVLS-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1ccc2[nH]c(C[NH2+]Cc3ccco3)nc2c1 ZINC000083251172 384756157 /nfs/dbraw/zinc/75/61/57/384756157.db2.gz WFLIMFZSHOZBEP-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1ccc2nc(C[NH2+]Cc3ccco3)[nH]c2c1 ZINC000083251172 384756161 /nfs/dbraw/zinc/75/61/61/384756161.db2.gz WFLIMFZSHOZBEP-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1ccc(NCc2ccc3c(c2)CCO3)c[nH+]1 ZINC000083368408 384764572 /nfs/dbraw/zinc/76/45/72/384764572.db2.gz PPQPXDVNUWTITP-UHFFFAOYSA-N 1 2 240.306 2.937 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000147330426 384835073 /nfs/dbraw/zinc/83/50/73/384835073.db2.gz PVPVFXAHIOXXKK-UHFFFAOYSA-N 1 2 210.227 2.523 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccon1 ZINC000309737611 384781864 /nfs/dbraw/zinc/78/18/64/384781864.db2.gz CSJWPNFRHFAZHI-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1csc(C[NH2+]Cc2occc2C)n1 ZINC000126652137 384795768 /nfs/dbraw/zinc/79/57/68/384795768.db2.gz OXDOSNPSIKBMTL-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccco2)o1 ZINC000174476008 384797354 /nfs/dbraw/zinc/79/73/54/384797354.db2.gz GUDKPUNBFMLEBU-CYBMUJFWSA-N 1 2 249.310 2.912 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccon1)CC2 ZINC000186723659 384872867 /nfs/dbraw/zinc/87/28/67/384872867.db2.gz BRBUCRMSOKOFTE-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccon1)CC2 ZINC000186723659 384872873 /nfs/dbraw/zinc/87/28/73/384872873.db2.gz BRBUCRMSOKOFTE-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(C)(C)CC1 ZINC000517246482 384878303 /nfs/dbraw/zinc/87/83/03/384878303.db2.gz XIHDXTQFWDHDLG-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO CCc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000225731877 384885045 /nfs/dbraw/zinc/88/50/45/384885045.db2.gz VGZRXUKRCQUFAE-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000309795771 384839708 /nfs/dbraw/zinc/83/97/08/384839708.db2.gz QCQQHQOYGVMEDD-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ncsc1CNc1c[nH+]ccc1C ZINC000084149418 384843139 /nfs/dbraw/zinc/84/31/39/384843139.db2.gz DWLDVEJBYCZJJI-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1nc(NC2(C3(C)CC3)CC2)cc[nH+]1 ZINC000335191808 384848438 /nfs/dbraw/zinc/84/84/38/384848438.db2.gz HDFIVKUYNWKPQN-UHFFFAOYSA-N 1 2 203.289 2.530 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(F)cc1F ZINC000054764290 384849486 /nfs/dbraw/zinc/84/94/86/384849486.db2.gz RIONIMYMQDQXEC-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccco2)o1 ZINC000186557869 384854821 /nfs/dbraw/zinc/85/48/21/384854821.db2.gz VWAKXZXHLGITRT-RYUDHWBXSA-N 1 2 249.310 2.955 20 0 BFADLO CC(C)CCOCC[N@H+](C)Cc1nccs1 ZINC000175299536 384889163 /nfs/dbraw/zinc/88/91/63/384889163.db2.gz STNKCRMJCHPEFL-UHFFFAOYSA-N 1 2 242.388 2.638 20 0 BFADLO CC(C)CCOCC[N@@H+](C)Cc1nccs1 ZINC000175299536 384889168 /nfs/dbraw/zinc/88/91/68/384889168.db2.gz STNKCRMJCHPEFL-UHFFFAOYSA-N 1 2 242.388 2.638 20 0 BFADLO CC[C@H]([NH2+]Cc1nccn1C)c1ccccc1F ZINC000163832232 384868095 /nfs/dbraw/zinc/86/80/95/384868095.db2.gz WIEXJZCTFCNOQV-ZDUSSCGKSA-N 1 2 247.317 2.800 20 0 BFADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000175119205 384868758 /nfs/dbraw/zinc/86/87/58/384868758.db2.gz FKPRTJNCRCNJFJ-CQSZACIVSA-N 1 2 245.326 2.740 20 0 BFADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccon1 ZINC000175119205 384868763 /nfs/dbraw/zinc/86/87/63/384868763.db2.gz FKPRTJNCRCNJFJ-CQSZACIVSA-N 1 2 245.326 2.740 20 0 BFADLO c1nc(N2CCCC2)cc(NC2CCCCC2)[nH+]1 ZINC000243317017 384891467 /nfs/dbraw/zinc/89/14/67/384891467.db2.gz LLBBCXLOAYMHGV-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO c1nc(NC2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000243317017 384891479 /nfs/dbraw/zinc/89/14/79/384891479.db2.gz LLBBCXLOAYMHGV-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)/C=C\C1CCCCC1 ZINC000491859813 384906324 /nfs/dbraw/zinc/90/63/24/384906324.db2.gz PPYSSQVZPAEPPB-FPLPWBNLSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccccn2)s1 ZINC000127547153 384916139 /nfs/dbraw/zinc/91/61/39/384916139.db2.gz NOCZJSVKXKFAAC-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000106880383 384937330 /nfs/dbraw/zinc/93/73/30/384937330.db2.gz NOTRYEMCGYTXRB-SECBINFHSA-N 1 2 243.709 2.700 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1CCOC1 ZINC000106880383 384937335 /nfs/dbraw/zinc/93/73/35/384937335.db2.gz NOTRYEMCGYTXRB-SECBINFHSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cscn2)sn1 ZINC000404280370 384964985 /nfs/dbraw/zinc/96/49/85/384964985.db2.gz DSMIYWHOGCNEBR-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000094124931 384977355 /nfs/dbraw/zinc/97/73/55/384977355.db2.gz QCRYWKVEFSPHKP-GHMZBOCLSA-N 1 2 248.326 2.532 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1=CCCCC1 ZINC000128014568 384978259 /nfs/dbraw/zinc/97/82/59/384978259.db2.gz FOKRUSRCUSVKPT-UHFFFAOYSA-N 1 2 216.284 2.829 20 0 BFADLO Cc1ccc(NCc2ccns2)c(C)[nH+]1 ZINC000404406406 384979393 /nfs/dbraw/zinc/97/93/93/384979393.db2.gz DUUGZFIPKLJGPM-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(CNc2ccc[nH+]c2C)sn1 ZINC000404422266 384992267 /nfs/dbraw/zinc/99/22/67/384992267.db2.gz TYFURLIFQRLMML-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO COC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000129514233 385002673 /nfs/dbraw/zinc/00/26/73/385002673.db2.gz MLEODSDRLYTGOI-LBPRGKRZSA-N 1 2 249.358 2.745 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000164898358 385052337 /nfs/dbraw/zinc/05/23/37/385052337.db2.gz KHLZIFYQHAWCSR-VXGBXAGGSA-N 1 2 235.327 2.922 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000115577553 385062595 /nfs/dbraw/zinc/06/25/95/385062595.db2.gz UJDFCNZFMNLPHS-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000115577553 385062601 /nfs/dbraw/zinc/06/26/01/385062601.db2.gz UJDFCNZFMNLPHS-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C)C1 ZINC000286960935 385084473 /nfs/dbraw/zinc/08/44/73/385084473.db2.gz ARJDMYYKEYUYOZ-VIFPVBQESA-N 1 2 233.315 2.572 20 0 BFADLO CCc1ccccc1COCc1[nH]cc[nH+]1 ZINC000188232008 385027860 /nfs/dbraw/zinc/02/78/60/385027860.db2.gz VOMQMAPLYRFIGV-UHFFFAOYSA-N 1 2 216.284 2.689 20 0 BFADLO CN(Cc1ccc(F)cc1)c1cccc[nH+]1 ZINC000067949242 385046709 /nfs/dbraw/zinc/04/67/09/385046709.db2.gz WSILXMDIMNEMQW-UHFFFAOYSA-N 1 2 216.259 2.857 20 0 BFADLO Nc1ccc(NC(=O)C2CCCCCC2)c[nH+]1 ZINC000061680239 385132095 /nfs/dbraw/zinc/13/20/95/385132095.db2.gz NRDTUZKWHCWUCR-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000644717125 385136236 /nfs/dbraw/zinc/13/62/36/385136236.db2.gz LTWZRBDMVCYHIX-OLZOCXBDSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000644717125 385136241 /nfs/dbraw/zinc/13/62/41/385136241.db2.gz LTWZRBDMVCYHIX-OLZOCXBDSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1ccc2oc(C[NH2+]Cc3cc[nH]n3)cc2c1 ZINC000557686298 385093129 /nfs/dbraw/zinc/09/31/29/385093129.db2.gz LHKMRWWDOHLJNG-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000644682219 385095691 /nfs/dbraw/zinc/09/56/91/385095691.db2.gz WAFNJNOQVDZBBK-ADEWGFFLSA-N 1 2 237.322 2.526 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000644682219 385095695 /nfs/dbraw/zinc/09/56/95/385095695.db2.gz WAFNJNOQVDZBBK-ADEWGFFLSA-N 1 2 237.322 2.526 20 0 BFADLO CCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000644682182 385097401 /nfs/dbraw/zinc/09/74/01/385097401.db2.gz LCVOHDLMBDWXLK-MWLCHTKSSA-N 1 2 240.322 2.725 20 0 BFADLO CCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000644682182 385097410 /nfs/dbraw/zinc/09/74/10/385097410.db2.gz LCVOHDLMBDWXLK-MWLCHTKSSA-N 1 2 240.322 2.725 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165319187 385103653 /nfs/dbraw/zinc/10/36/53/385103653.db2.gz XIFCHNPWHWEWCS-RYUDHWBXSA-N 1 2 249.358 2.517 20 0 BFADLO C/C=C(\C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176513077 385106021 /nfs/dbraw/zinc/10/60/21/385106021.db2.gz FTHWJEFWNDVWIG-VMPITWQZSA-N 1 2 204.273 2.603 20 0 BFADLO Cc1ccc(NCc2cccc3c2NCC3)c[nH+]1 ZINC000164641188 385191420 /nfs/dbraw/zinc/19/14/20/385191420.db2.gz XSVKYTXMMRVFQZ-UHFFFAOYSA-N 1 2 239.322 2.970 20 0 BFADLO Cc1ccn2c(/C=C\c3ccncn3)c[nH+]c2c1 ZINC000255919071 385196822 /nfs/dbraw/zinc/19/68/22/385196822.db2.gz RIQXZXMURVCFPQ-IHWYPQMZSA-N 1 2 236.278 2.603 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@@H]2C)c(C)[nH+]1 ZINC000176750055 385142857 /nfs/dbraw/zinc/14/28/57/385142857.db2.gz CQAJOAWFCTWWGU-JTQLQIEISA-N 1 2 233.315 2.715 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)oc1C ZINC000289658851 385206959 /nfs/dbraw/zinc/20/69/59/385206959.db2.gz FGOZLVUVJXZRBP-QMMMGPOBSA-N 1 2 244.285 2.769 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)oc1C ZINC000289658851 385206968 /nfs/dbraw/zinc/20/69/68/385206968.db2.gz FGOZLVUVJXZRBP-QMMMGPOBSA-N 1 2 244.285 2.769 20 0 BFADLO CCCc1nc(C[N@H+](C(C)C)C2CCC2)no1 ZINC000119788813 385225316 /nfs/dbraw/zinc/22/53/16/385225316.db2.gz IFJJSWIMJFOTKJ-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO CCCc1nc(C[N@@H+](C(C)C)C2CCC2)no1 ZINC000119788813 385225321 /nfs/dbraw/zinc/22/53/21/385225321.db2.gz IFJJSWIMJFOTKJ-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(F)cc2F)C1 ZINC000167421898 385244564 /nfs/dbraw/zinc/24/45/64/385244564.db2.gz ZIFHRUUITWLKJM-UHFFFAOYSA-N 1 2 211.255 2.807 20 0 BFADLO C[C@@](O)(CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000310962608 385254267 /nfs/dbraw/zinc/25/42/67/385254267.db2.gz ODGWGSBFLYTDJT-OAHLLOKOSA-N 1 2 242.322 2.808 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000191457615 385304300 /nfs/dbraw/zinc/30/43/00/385304300.db2.gz LUDQCLKWMXITBZ-SECBINFHSA-N 1 2 206.289 2.765 20 0 BFADLO CSc1ccc(N[C@H]2CCOC[C@H]2C)[nH+]c1 ZINC000280436091 385309399 /nfs/dbraw/zinc/30/93/99/385309399.db2.gz XWDNGRRHICQYQB-KOLCDFICSA-N 1 2 238.356 2.640 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccccc1F)c1ccco1 ZINC000177573410 385264835 /nfs/dbraw/zinc/26/48/35/385264835.db2.gz KGRQQBKTMKHFDO-CYBMUJFWSA-N 1 2 249.285 2.896 20 0 BFADLO COC[C@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000153616195 385267724 /nfs/dbraw/zinc/26/77/24/385267724.db2.gz IBWBWPATWIZKMW-NSHDSACASA-N 1 2 234.343 2.516 20 0 BFADLO COC[C@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000153616195 385267732 /nfs/dbraw/zinc/26/77/32/385267732.db2.gz IBWBWPATWIZKMW-NSHDSACASA-N 1 2 234.343 2.516 20 0 BFADLO Cc1c[nH+]cc(NCc2ccnn2C(C)C)c1 ZINC000280229733 385286334 /nfs/dbraw/zinc/28/63/34/385286334.db2.gz JLPYAWCKZRWIKG-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO COC[C@@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000308917091 385290084 /nfs/dbraw/zinc/29/00/84/385290084.db2.gz GFHWMFPVMGJFPL-QMMMGPOBSA-N 1 2 228.723 2.738 20 0 BFADLO Cc1ccc(NCc2ccnn2C(C)C)c[nH+]1 ZINC000280304204 385294570 /nfs/dbraw/zinc/29/45/70/385294570.db2.gz OINBDLRRGIGTGD-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO c1csc(C[N@H+](Cc2cocn2)C2CC2)c1 ZINC000191926353 385334462 /nfs/dbraw/zinc/33/44/62/385334462.db2.gz BIUGQZPKEQZTID-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1csc(C[N@@H+](Cc2cocn2)C2CC2)c1 ZINC000191926353 385334469 /nfs/dbraw/zinc/33/44/69/385334469.db2.gz BIUGQZPKEQZTID-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000191948825 385337647 /nfs/dbraw/zinc/33/76/47/385337647.db2.gz RGFSBPXSHARSDB-CQSZACIVSA-N 1 2 245.326 2.740 20 0 BFADLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cocn1 ZINC000191948825 385337649 /nfs/dbraw/zinc/33/76/49/385337649.db2.gz RGFSBPXSHARSDB-CQSZACIVSA-N 1 2 245.326 2.740 20 0 BFADLO CCOCCOc1cc(C)[nH+]c2ccccc21 ZINC000192192177 385347876 /nfs/dbraw/zinc/34/78/76/385347876.db2.gz RTFVQEXXARTSSS-UHFFFAOYSA-N 1 2 231.295 2.959 20 0 BFADLO CC(C)(NC(=O)CC1CC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000516656710 385350004 /nfs/dbraw/zinc/35/00/04/385350004.db2.gz LFQXNFCTXQBBIP-UHFFFAOYSA-N 1 2 249.358 2.587 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccnn1C ZINC000192247564 385350520 /nfs/dbraw/zinc/35/05/20/385350520.db2.gz KKVNEABSMBNTPK-NSHDSACASA-N 1 2 244.342 2.659 20 0 BFADLO Fc1ccc(C[NH2+]Cc2cocn2)cc1Cl ZINC000179085584 385362448 /nfs/dbraw/zinc/36/24/48/385362448.db2.gz CMGDLKBYDZAYLC-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO FCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000178406434 385366739 /nfs/dbraw/zinc/36/67/39/385366739.db2.gz XEJOLLOEYOVJRZ-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000178406434 385366742 /nfs/dbraw/zinc/36/67/42/385366742.db2.gz XEJOLLOEYOVJRZ-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO CC(C)c1nc(N[C@H]2CC2(C)C)cc[nH+]1 ZINC000309015409 385371601 /nfs/dbraw/zinc/37/16/01/385371601.db2.gz UGXYLNIGMGNZFY-VIFPVBQESA-N 1 2 205.305 2.810 20 0 BFADLO CC[C@H]([NH2+]C[C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000192850760 385374594 /nfs/dbraw/zinc/37/45/94/385374594.db2.gz HCJSJPPDYQMMCL-OCCSQVGLSA-N 1 2 249.354 2.640 20 0 BFADLO CC(C)N(Cc1[nH+]ccn1C(C)C)CC(F)F ZINC000178563409 385390712 /nfs/dbraw/zinc/39/07/12/385390712.db2.gz JLUITDVBOFPLEY-UHFFFAOYSA-N 1 2 245.317 2.940 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1F ZINC000449036316 385444671 /nfs/dbraw/zinc/44/46/71/385444671.db2.gz SVLSHJCTETUJPU-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1F ZINC000449036316 385444673 /nfs/dbraw/zinc/44/46/73/385444673.db2.gz SVLSHJCTETUJPU-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO CCOc1ccc([NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000195046435 385458093 /nfs/dbraw/zinc/45/80/93/385458093.db2.gz XFHKKRBPODSFJV-SMDDNHRTSA-N 1 2 235.327 2.922 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2cccc(F)c2F)[C@H]1C ZINC000156515425 385457412 /nfs/dbraw/zinc/45/74/12/385457412.db2.gz YFVIEPPQSISHHV-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2cccc(F)c2F)[C@H]1C ZINC000156515425 385457413 /nfs/dbraw/zinc/45/74/13/385457413.db2.gz YFVIEPPQSISHHV-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H](CCC1CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000518777021 385468825 /nfs/dbraw/zinc/46/88/25/385468825.db2.gz OPINZXGUMXWWAM-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@H](CCC1CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518777020 385469794 /nfs/dbraw/zinc/46/97/94/385469794.db2.gz OPINZXGUMXWWAM-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO COC1(C)C[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000362312936 385483930 /nfs/dbraw/zinc/48/39/30/385483930.db2.gz PAVKLFUGFIWHTJ-ONEGZZNKSA-N 1 2 235.302 2.560 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1C[C@H]2CCC[C@@H]2C1 ZINC000179315393 385459327 /nfs/dbraw/zinc/45/93/27/385459327.db2.gz ITAAVKYYZYPENP-VXGBXAGGSA-N 1 2 241.338 2.810 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC2(CCC2)C1 ZINC000179316018 385459654 /nfs/dbraw/zinc/45/96/54/385459654.db2.gz UGLFCLNEUXXSOL-UHFFFAOYSA-N 1 2 241.338 2.954 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1C ZINC000109889638 385491089 /nfs/dbraw/zinc/49/10/89/385491089.db2.gz SPKXRHFBUTYZGY-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000179828112 385494468 /nfs/dbraw/zinc/49/44/68/385494468.db2.gz ASWYAGJYWWJZSS-KOLCDFICSA-N 1 2 235.331 2.946 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC=CCC1 ZINC000179869695 385496030 /nfs/dbraw/zinc/49/60/30/385496030.db2.gz VSDGYFINMJEUHV-LLVKDONJSA-N 1 2 231.299 2.620 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@H](C)CC)no1 ZINC000111253605 385498466 /nfs/dbraw/zinc/49/84/66/385498466.db2.gz HOIFQNVFROXNRQ-SNVBAGLBSA-N 1 2 225.336 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@H](C)CC)no1 ZINC000111253605 385498470 /nfs/dbraw/zinc/49/84/70/385498470.db2.gz HOIFQNVFROXNRQ-SNVBAGLBSA-N 1 2 225.336 2.500 20 0 BFADLO C/C=C(\C=C\C(=O)Nc1c[nH+]ccc1OC)CC ZINC000157477868 385504424 /nfs/dbraw/zinc/50/44/24/385504424.db2.gz RHIZXTLQEWSIAX-IFQIRGPMSA-N 1 2 246.310 2.941 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000183072077 385505563 /nfs/dbraw/zinc/50/55/63/385505563.db2.gz AVLUIBXXFWBJIV-AAEUAGOBSA-N 1 2 247.338 2.849 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1cncc(F)c1 ZINC000302263021 385509217 /nfs/dbraw/zinc/50/92/17/385509217.db2.gz FTESOHRGAMAQNK-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO CC(C)c1nc(N2CCCCCC2)cc[nH+]1 ZINC000106461711 385510009 /nfs/dbraw/zinc/51/00/09/385510009.db2.gz UHLSNSBIVATHMB-UHFFFAOYSA-N 1 2 219.332 2.980 20 0 BFADLO CCO[C@H](C)c1nc(C[N@H+](C)C2CC2)cs1 ZINC000172318821 385530390 /nfs/dbraw/zinc/53/03/90/385530390.db2.gz BEZJZSWNIRREKV-SECBINFHSA-N 1 2 240.372 2.835 20 0 BFADLO CCO[C@H](C)c1nc(C[N@@H+](C)C2CC2)cs1 ZINC000172318821 385530396 /nfs/dbraw/zinc/53/03/96/385530396.db2.gz BEZJZSWNIRREKV-SECBINFHSA-N 1 2 240.372 2.835 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccn(C(C)C)n2)o1 ZINC000172333327 385531497 /nfs/dbraw/zinc/53/14/97/385531497.db2.gz KHYCKAPBDMJPOF-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccn(C(C)C)n2)o1 ZINC000172333327 385531501 /nfs/dbraw/zinc/53/15/01/385531501.db2.gz KHYCKAPBDMJPOF-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C(C)C ZINC000171976785 385539478 /nfs/dbraw/zinc/53/94/78/385539478.db2.gz VRTPJTHLNNTSHI-JTQLQIEISA-N 1 2 206.289 2.621 20 0 BFADLO CN(c1cc[nH+]c(C2CC2)n1)C1CCCC1 ZINC000171986974 385539668 /nfs/dbraw/zinc/53/96/68/385539668.db2.gz CYEBSHCXZLTZOR-UHFFFAOYSA-N 1 2 217.316 2.733 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc(C)s2)o1 ZINC000180421667 385521270 /nfs/dbraw/zinc/52/12/70/385521270.db2.gz HABPKCXPZSVMGU-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc(C)s2)o1 ZINC000180421667 385521274 /nfs/dbraw/zinc/52/12/74/385521274.db2.gz HABPKCXPZSVMGU-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cl/C=C/C[N@H+](Cc1ccccn1)C1CC1 ZINC000180872161 385552899 /nfs/dbraw/zinc/55/28/99/385552899.db2.gz BAJSJXLNPZXGCL-XVNBXDOJSA-N 1 2 222.719 2.799 20 0 BFADLO Cl/C=C/C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180872161 385552903 /nfs/dbraw/zinc/55/29/03/385552903.db2.gz BAJSJXLNPZXGCL-XVNBXDOJSA-N 1 2 222.719 2.799 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(F)(F)F ZINC000309384698 385558983 /nfs/dbraw/zinc/55/89/83/385558983.db2.gz SNAHLBACZIJVLF-AEJSXWLSSA-N 1 2 239.281 2.588 20 0 BFADLO CC(C)([NH2+]Cc1ncccn1)c1cccs1 ZINC000309387714 385560544 /nfs/dbraw/zinc/56/05/44/385560544.db2.gz SXXPZQODAWSJCW-UHFFFAOYSA-N 1 2 233.340 2.563 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(Cl)cn1C ZINC000107289771 385561617 /nfs/dbraw/zinc/56/16/17/385561617.db2.gz MHGNICGGIABPHK-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO Cc1ccc(CC(=O)Nc2cc[nH+]cc2C)s1 ZINC000107284820 385562450 /nfs/dbraw/zinc/56/24/50/385562450.db2.gz CKZYUAYWBJCOAO-UHFFFAOYSA-N 1 2 246.335 2.941 20 0 BFADLO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccccn1 ZINC000181795130 385606361 /nfs/dbraw/zinc/60/63/61/385606361.db2.gz VDVMOCYEVARXEN-LBPRGKRZSA-N 1 2 244.342 2.710 20 0 BFADLO CCCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCC1 ZINC000493493510 385581027 /nfs/dbraw/zinc/58/10/27/385581027.db2.gz MULIVUXHZLTDCC-SNAWJCMRSA-N 1 2 247.342 2.510 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181792915 385605895 /nfs/dbraw/zinc/60/58/95/385605895.db2.gz YXVGBLUSVZSCPZ-RYUDHWBXSA-N 1 2 249.354 2.504 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1ccc(Cl)o1 ZINC000354026630 385618163 /nfs/dbraw/zinc/61/81/63/385618163.db2.gz WZFHBUQIJUSVJI-UHFFFAOYSA-N 1 2 224.691 2.893 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(Cl)o1 ZINC000354026630 385618168 /nfs/dbraw/zinc/61/81/68/385618168.db2.gz WZFHBUQIJUSVJI-UHFFFAOYSA-N 1 2 224.691 2.893 20 0 BFADLO Fc1ccc2oc(C[NH2+]CC(F)F)cc2c1 ZINC000336682322 385641980 /nfs/dbraw/zinc/64/19/80/385641980.db2.gz PNZZHHKIZGGWTO-UHFFFAOYSA-N 1 2 229.201 2.927 20 0 BFADLO Cc1[nH]cc(-c2ccc3c(c2)CCCO3)[nH+]1 ZINC000259122391 385654575 /nfs/dbraw/zinc/65/45/75/385654575.db2.gz QBSHRQPYWWHMTH-UHFFFAOYSA-N 1 2 214.268 2.710 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccon2)o1 ZINC000336734299 385660724 /nfs/dbraw/zinc/66/07/24/385660724.db2.gz HFPSGRUDBSUNNY-NXEZZACHSA-N 1 2 220.272 2.988 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000270061436 385664215 /nfs/dbraw/zinc/66/42/15/385664215.db2.gz FOXQONJEFDQWHV-LLVKDONJSA-N 1 2 249.358 2.551 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC000309536038 385676796 /nfs/dbraw/zinc/67/67/96/385676796.db2.gz FAJTVPREBINEAV-GHMZBOCLSA-N 1 2 217.316 2.810 20 0 BFADLO c1cn(CCCN2CCCc3ccccc32)c[nH+]1 ZINC000182623861 385688095 /nfs/dbraw/zinc/68/80/95/385688095.db2.gz WMPQGMAGQIPRGQ-UHFFFAOYSA-N 1 2 241.338 2.726 20 0 BFADLO CC(C)c1nnc(CNc2cccc[nH+]2)s1 ZINC000336739934 385700521 /nfs/dbraw/zinc/70/05/21/385700521.db2.gz LVPPYXWRFSBPES-UHFFFAOYSA-N 1 2 234.328 2.669 20 0 BFADLO CCO[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C12CCC2 ZINC000337556915 385701887 /nfs/dbraw/zinc/70/18/87/385701887.db2.gz SBEZQSXBPIJILH-UWVGGRQHSA-N 1 2 245.313 2.721 20 0 BFADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(CO)c1 ZINC000337541741 385703720 /nfs/dbraw/zinc/70/37/20/385703720.db2.gz IXXKNNMAKXRABS-VIFPVBQESA-N 1 2 241.281 2.627 20 0 BFADLO Fc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000309568435 385704372 /nfs/dbraw/zinc/70/43/72/385704372.db2.gz LVQZQIULVXHURW-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc[nH+]c(C)n1 ZINC000309575682 385709761 /nfs/dbraw/zinc/70/97/61/385709761.db2.gz OVJIDQYYGUYBLZ-MRVPVSSYSA-N 1 2 233.237 2.928 20 0 BFADLO Cc1cc(N2CC=C(C(C)(C)C)CC2)nc[nH+]1 ZINC000340040357 385716083 /nfs/dbraw/zinc/71/60/83/385716083.db2.gz FCCWPUHCJAJAEY-UHFFFAOYSA-N 1 2 231.343 2.968 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000270713861 385733350 /nfs/dbraw/zinc/73/33/50/385733350.db2.gz MBTXGHGAKFFALF-JTQLQIEISA-N 1 2 248.330 2.680 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc[nH]n1 ZINC000271031301 385772725 /nfs/dbraw/zinc/77/27/25/385772725.db2.gz HVGNHJOVQGREKO-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000271031301 385772726 /nfs/dbraw/zinc/77/27/26/385772726.db2.gz HVGNHJOVQGREKO-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO CC(C)n1ccnc1SCc1cc[nH+]c(N)c1 ZINC000282635160 385775413 /nfs/dbraw/zinc/77/54/13/385775413.db2.gz SOIFUGXAIYJKSQ-UHFFFAOYSA-N 1 2 248.355 2.734 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000183602159 385776607 /nfs/dbraw/zinc/77/66/07/385776607.db2.gz VRANFJKGFKJXQS-NXEZZACHSA-N 1 2 236.315 2.711 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(F)(F)F ZINC000309666570 385782842 /nfs/dbraw/zinc/78/28/42/385782842.db2.gz UKMPAMBGTQWFAV-GUBZILKMSA-N 1 2 239.281 2.732 20 0 BFADLO c1ccc2[nH+]c(N3CCCSCC3)[nH]c2c1 ZINC000270561334 385719386 /nfs/dbraw/zinc/71/93/86/385719386.db2.gz JUWYJNUHQLULOV-UHFFFAOYSA-N 1 2 233.340 2.506 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCC(C)(C)C2)no1 ZINC000112702029 385856884 /nfs/dbraw/zinc/85/68/84/385856884.db2.gz PVMYGXCGCYHUDV-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCCC(C)(C)C2)no1 ZINC000112702029 385856889 /nfs/dbraw/zinc/85/68/89/385856889.db2.gz PVMYGXCGCYHUDV-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CC[C@@H](C)CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283114040 385809682 /nfs/dbraw/zinc/80/96/82/385809682.db2.gz VVCNESPKYIXOQW-ZYHUDNBSSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000271337860 385818167 /nfs/dbraw/zinc/81/81/67/385818167.db2.gz OBYMVSVFOGUPOL-UHFFFAOYSA-N 1 2 233.359 2.896 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000271337860 385818170 /nfs/dbraw/zinc/81/81/70/385818170.db2.gz OBYMVSVFOGUPOL-UHFFFAOYSA-N 1 2 233.359 2.896 20 0 BFADLO Cc1cc(C[N@@H+](C)CCSC(C)C)no1 ZINC000283513530 385821468 /nfs/dbraw/zinc/82/14/68/385821468.db2.gz LBBUTIOWPWSVQF-UHFFFAOYSA-N 1 2 228.361 2.556 20 0 BFADLO Cc1cc(C[N@H+](C)CCSC(C)C)no1 ZINC000283513530 385821473 /nfs/dbraw/zinc/82/14/73/385821473.db2.gz LBBUTIOWPWSVQF-UHFFFAOYSA-N 1 2 228.361 2.556 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cscn1 ZINC000271446126 385828695 /nfs/dbraw/zinc/82/86/95/385828695.db2.gz CZEGXCLJBLKSOL-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cscn1 ZINC000271446126 385828697 /nfs/dbraw/zinc/82/86/97/385828697.db2.gz CZEGXCLJBLKSOL-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000271457280 385830925 /nfs/dbraw/zinc/83/09/25/385830925.db2.gz FMJREJKVDBLYDW-ZWNOBZJWSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccn1 ZINC000271457280 385830928 /nfs/dbraw/zinc/83/09/28/385830928.db2.gz FMJREJKVDBLYDW-ZWNOBZJWSA-N 1 2 242.326 2.533 20 0 BFADLO CSc1ccc(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000112298328 385837685 /nfs/dbraw/zinc/83/76/85/385837685.db2.gz WOTYCOKJXOGTIX-UHFFFAOYSA-N 1 2 248.307 2.957 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCC=C(F)C1 ZINC000271622941 385841761 /nfs/dbraw/zinc/84/17/61/385841761.db2.gz MJNDFCUEILZJSV-UHFFFAOYSA-N 1 2 223.295 2.523 20 0 BFADLO Cc1noc(C)c1NC(=O)Nc1cc[nH+]cc1C ZINC000271125006 385789634 /nfs/dbraw/zinc/78/96/34/385789634.db2.gz MHXJYKJNIJQUGR-UHFFFAOYSA-N 1 2 246.270 2.639 20 0 BFADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)nn1C ZINC000282858989 385793331 /nfs/dbraw/zinc/79/33/31/385793331.db2.gz UNXAURIWWSVTHU-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000272283158 385890964 /nfs/dbraw/zinc/89/09/64/385890964.db2.gz OWULXGRVSDORIC-BFHYXJOUSA-N 1 2 244.338 2.760 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000272521070 385908449 /nfs/dbraw/zinc/90/84/49/385908449.db2.gz PXIARLPKKCTZSO-UHFFFAOYSA-N 1 2 249.285 2.517 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000272521070 385908456 /nfs/dbraw/zinc/90/84/56/385908456.db2.gz PXIARLPKKCTZSO-UHFFFAOYSA-N 1 2 249.285 2.517 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000285517413 385938194 /nfs/dbraw/zinc/93/81/94/385938194.db2.gz OAAVHJYSHUFUGB-CYBMUJFWSA-N 1 2 245.326 2.562 20 0 BFADLO CCCCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353174547 385943431 /nfs/dbraw/zinc/94/34/31/385943431.db2.gz QOJOPQBPPVYYDU-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCCCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000353174547 385943441 /nfs/dbraw/zinc/94/34/41/385943441.db2.gz QOJOPQBPPVYYDU-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CS[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000295023946 385944454 /nfs/dbraw/zinc/94/44/54/385944454.db2.gz QYFHTRIBKSUFBG-JTQLQIEISA-N 1 2 245.351 2.572 20 0 BFADLO CC1CC([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000335054176 385953924 /nfs/dbraw/zinc/95/39/24/385953924.db2.gz NTWYNGMQZJIDAJ-UHFFFAOYSA-N 1 2 202.301 2.865 20 0 BFADLO CC1CC(Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000335054176 385953927 /nfs/dbraw/zinc/95/39/27/385953927.db2.gz NTWYNGMQZJIDAJ-UHFFFAOYSA-N 1 2 202.301 2.865 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCC1=O ZINC000335057081 385956373 /nfs/dbraw/zinc/95/63/73/385956373.db2.gz CXGZVGJBZJLWCB-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC1=O ZINC000335057081 385956376 /nfs/dbraw/zinc/95/63/76/385956376.db2.gz CXGZVGJBZJLWCB-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccncc2F)o1 ZINC000338340894 385970915 /nfs/dbraw/zinc/97/09/15/385970915.db2.gz CIOCNTWWJFMAMV-VHSXEESVSA-N 1 2 249.289 2.929 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccncc1F ZINC000338337772 385971144 /nfs/dbraw/zinc/97/11/44/385971144.db2.gz BYQHVWMOLOITMN-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)co1 ZINC000647968094 386003514 /nfs/dbraw/zinc/00/35/14/386003514.db2.gz NOCIAFLIZZXLGM-JTQLQIEISA-N 1 2 246.310 2.882 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)co1 ZINC000647968094 386003519 /nfs/dbraw/zinc/00/35/19/386003519.db2.gz NOCIAFLIZZXLGM-JTQLQIEISA-N 1 2 246.310 2.882 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccon1 ZINC000336769809 386004441 /nfs/dbraw/zinc/00/44/41/386004441.db2.gz VWPHLTZIDZJUII-SSDOTTSWSA-N 1 2 226.663 2.772 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000295323361 386012271 /nfs/dbraw/zinc/01/22/71/386012271.db2.gz LLHMSGWNUPXJRB-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000295323361 386012275 /nfs/dbraw/zinc/01/22/75/386012275.db2.gz LLHMSGWNUPXJRB-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414169486 386015513 /nfs/dbraw/zinc/01/55/13/386015513.db2.gz VOBUHJBHUBLRAZ-XFFJFQIUSA-N 1 2 221.266 2.961 20 0 BFADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414169469 386016893 /nfs/dbraw/zinc/01/68/93/386016893.db2.gz VOBUHJBHUBLRAZ-GOZTYBTRSA-N 1 2 221.266 2.961 20 0 BFADLO Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCC3)c(C)[nH+]1 ZINC000335069815 386017479 /nfs/dbraw/zinc/01/74/79/386017479.db2.gz RGTRCPKRCLSAJG-FZMZJTMJSA-N 1 2 230.311 2.827 20 0 BFADLO Clc1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000335909037 386029341 /nfs/dbraw/zinc/02/93/41/386029341.db2.gz YNCQVRJITXVKOF-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000335909037 386029349 /nfs/dbraw/zinc/02/93/49/386029349.db2.gz YNCQVRJITXVKOF-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CCC1CCC2(CC1)[NH2+]C(C)(C)C(=O)N2CC ZINC000414190194 386029604 /nfs/dbraw/zinc/02/96/04/386029604.db2.gz KMLBNLCEAWQWAY-UHFFFAOYSA-N 1 2 238.375 2.513 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000334431909 386033288 /nfs/dbraw/zinc/03/32/88/386033288.db2.gz WLYFBEJGXFZVEG-NXEZZACHSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000334431909 386033296 /nfs/dbraw/zinc/03/32/96/386033296.db2.gz WLYFBEJGXFZVEG-NXEZZACHSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C)C2)cc(C)[nH+]1 ZINC000335074678 386040165 /nfs/dbraw/zinc/04/01/65/386040165.db2.gz PJQJKRDVAGUTCS-QMTHXVAHSA-N 1 2 246.354 2.751 20 0 BFADLO CCn1ccc(C[NH2+][C@H](C)c2ccc(C)o2)n1 ZINC000414204486 386040490 /nfs/dbraw/zinc/04/04/90/386040490.db2.gz GBJLVFVABCNWCH-LLVKDONJSA-N 1 2 233.315 2.655 20 0 BFADLO Cc1ccc(Cc2nc(CCC3CC3)no2)c[nH+]1 ZINC000273898800 386048077 /nfs/dbraw/zinc/04/80/77/386048077.db2.gz FPCTWRJNFMTMAU-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO C[NH2+]Cc1noc(CCCCC(C)(C)C)n1 ZINC000414647187 386052600 /nfs/dbraw/zinc/05/26/00/386052600.db2.gz UBPNXELGZBSXNG-UHFFFAOYSA-N 1 2 225.336 2.548 20 0 BFADLO Cc1csc([C@@H]([NH2+]Cc2ccno2)C2CC2)n1 ZINC000273399814 385995869 /nfs/dbraw/zinc/99/58/69/385995869.db2.gz OTGYYEUHZBKSRG-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO Cc1sccc1C[N@H+](C)Cc1ccon1 ZINC000295225757 385996132 /nfs/dbraw/zinc/99/61/32/385996132.db2.gz CEFVNFLCNUWRRA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1sccc1C[N@@H+](C)Cc1ccon1 ZINC000295225757 385996138 /nfs/dbraw/zinc/99/61/38/385996138.db2.gz CEFVNFLCNUWRRA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2C)s1 ZINC000038011099 386110116 /nfs/dbraw/zinc/11/01/16/386110116.db2.gz ZBQOOCRPLZQGES-SNVBAGLBSA-N 1 2 235.356 2.939 20 0 BFADLO FC1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000645390693 386112177 /nfs/dbraw/zinc/11/21/77/386112177.db2.gz XIHNTKQSHOFUNX-UHFFFAOYSA-N 1 2 249.333 2.716 20 0 BFADLO CCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831088 386112223 /nfs/dbraw/zinc/11/22/23/386112223.db2.gz YBPKUFGRHLJHIA-UHFFFAOYSA-N 1 2 229.283 2.815 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC1(C)C ZINC000287423365 386121801 /nfs/dbraw/zinc/12/18/01/386121801.db2.gz GCXMPYNDXNBYBD-JTQLQIEISA-N 1 2 233.315 2.618 20 0 BFADLO CCn1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)n1 ZINC000414207534 386061344 /nfs/dbraw/zinc/06/13/44/386061344.db2.gz KHIFSYXPDYRHRM-LLVKDONJSA-N 1 2 247.342 2.964 20 0 BFADLO Cn1cc[nH+]c1CN1Cc2cccc(Cl)c2C1 ZINC000286735436 386070167 /nfs/dbraw/zinc/07/01/67/386070167.db2.gz BWHZCEXXRPBJCS-UHFFFAOYSA-N 1 2 247.729 2.589 20 0 BFADLO Cc1[nH+]c2ccccn2c1CN1CCC=C(F)C1 ZINC000334444975 386076292 /nfs/dbraw/zinc/07/62/92/386076292.db2.gz FRHWJNMRYOCSFM-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO Cc1nc2ccccn2c1C[N@@H+]1CCC=C(F)C1 ZINC000334444975 386076295 /nfs/dbraw/zinc/07/62/95/386076295.db2.gz FRHWJNMRYOCSFM-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO Cc1nc2ccccn2c1C[N@H+]1CCC=C(F)C1 ZINC000334444975 386076299 /nfs/dbraw/zinc/07/62/99/386076299.db2.gz FRHWJNMRYOCSFM-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO COC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000129538333 386082106 /nfs/dbraw/zinc/08/21/06/386082106.db2.gz FXUHFOMFAROXFP-LLVKDONJSA-N 1 2 249.358 2.611 20 0 BFADLO C[C@H]([NH2+]Cc1ccno1)c1c(F)cccc1F ZINC000223634337 386091156 /nfs/dbraw/zinc/09/11/56/386091156.db2.gz VSFMTRRUGDLTKY-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@H]2F)nc(C(C)C)[nH+]1 ZINC000338836550 386155736 /nfs/dbraw/zinc/15/57/36/386155736.db2.gz SBYSZWFWXHZZKN-MNOVXSKESA-N 1 2 237.322 2.633 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456832972 386158234 /nfs/dbraw/zinc/15/82/34/386158234.db2.gz FWAOZRBBWZQQFO-TZMCWYRMSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cnccc1Sc1[nH+]cnc2[nH]ccc21 ZINC000338847020 386160600 /nfs/dbraw/zinc/16/06/00/386160600.db2.gz OVFUQONFVXEYQP-UHFFFAOYSA-N 1 2 242.307 2.813 20 0 BFADLO Cc1nc(C)c(CNc2cccc[nH+]2)s1 ZINC000157420001 386166573 /nfs/dbraw/zinc/16/65/73/386166573.db2.gz JZBNUAFENJIRNU-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000263748011 386172376 /nfs/dbraw/zinc/17/23/76/386172376.db2.gz BSYGVKBZEXPDSM-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccs2)o1 ZINC000263748011 386172379 /nfs/dbraw/zinc/17/23/79/386172379.db2.gz BSYGVKBZEXPDSM-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)nn1 ZINC000414374401 386181790 /nfs/dbraw/zinc/18/17/90/386181790.db2.gz VKMUUKULLVZNCA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccccc2F)nn1 ZINC000414374401 386181797 /nfs/dbraw/zinc/18/17/97/386181797.db2.gz VKMUUKULLVZNCA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@@H]2C)cn1 ZINC000334466707 386129398 /nfs/dbraw/zinc/12/93/98/386129398.db2.gz VRDXKJMTKCVGSH-NSHDSACASA-N 1 2 239.322 2.862 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@@H]2C)cn1 ZINC000334466707 386129404 /nfs/dbraw/zinc/12/94/04/386129404.db2.gz VRDXKJMTKCVGSH-NSHDSACASA-N 1 2 239.322 2.862 20 0 BFADLO C[C@@H](F)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000338759495 386131189 /nfs/dbraw/zinc/13/11/89/386131189.db2.gz YQWCJFTUGJWQLQ-SECBINFHSA-N 1 2 236.265 2.956 20 0 BFADLO CN(C)c1ccc([NH2+]C[C@@H]2CCSC2)cc1 ZINC000224319520 386134920 /nfs/dbraw/zinc/13/49/20/386134920.db2.gz ABEYBMGPMLSTBP-NSHDSACASA-N 1 2 236.384 2.918 20 0 BFADLO C[NH+](C)c1ccc(NC[C@@H]2CCSC2)cc1 ZINC000224319520 386134925 /nfs/dbraw/zinc/13/49/25/386134925.db2.gz ABEYBMGPMLSTBP-NSHDSACASA-N 1 2 236.384 2.918 20 0 BFADLO CCN(C(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000287672266 386140111 /nfs/dbraw/zinc/14/01/11/386140111.db2.gz XTCHSWKOXFVSJG-UHFFFAOYSA-N 1 2 235.331 2.961 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC000296142370 386142791 /nfs/dbraw/zinc/14/27/91/386142791.db2.gz VHXOGABGTXAJRK-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO Cc1cnc(CN2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000334470726 386143538 /nfs/dbraw/zinc/14/35/38/386143538.db2.gz IJQJQIVKMGYNDO-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc(C[NH2+]Cc2noc3c2CCCC3)o1 ZINC000288479283 386207439 /nfs/dbraw/zinc/20/74/39/386207439.db2.gz PRXMKBRMMMUVQO-UHFFFAOYSA-N 1 2 246.310 2.745 20 0 BFADLO C[C@H](CF)[NH2+]Cc1c(F)cccc1Cl ZINC000288555560 386214455 /nfs/dbraw/zinc/21/44/55/386214455.db2.gz YFMAQVGYUYOUKT-SSDOTTSWSA-N 1 2 219.662 2.927 20 0 BFADLO c1c[nH+]c(COCCSCc2ccccc2)[nH]1 ZINC000288602761 386219276 /nfs/dbraw/zinc/21/92/76/386219276.db2.gz MVWHWWQEFDPNBN-UHFFFAOYSA-N 1 2 248.351 2.860 20 0 BFADLO CC(C)(C(=O)Nc1cccc2[nH+]ccn21)C1CC1 ZINC000288596233 386219296 /nfs/dbraw/zinc/21/92/96/386219296.db2.gz PBUGMJATTLSCTK-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cscn1 ZINC000288619604 386223034 /nfs/dbraw/zinc/22/30/34/386223034.db2.gz RLNZLNKFGAJKLR-TVQRCGJNSA-N 1 2 246.335 2.755 20 0 BFADLO CC[N@H+](CCCO)c1cc(C)ccc1C ZINC000264258114 386223321 /nfs/dbraw/zinc/22/33/21/386223321.db2.gz ZZNZMENXIRVXGT-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CC[N@@H+](CCCO)c1cc(C)ccc1C ZINC000264258114 386223323 /nfs/dbraw/zinc/22/33/23/386223323.db2.gz ZZNZMENXIRVXGT-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CSc1ccc(N[C@H]2CCn3cc[nH+]c32)nc1 ZINC000297079923 386223845 /nfs/dbraw/zinc/22/38/45/386223845.db2.gz WRTWOAUXUOOTLA-JTQLQIEISA-N 1 2 246.339 2.557 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2nccs2)s1 ZINC000125175552 386231605 /nfs/dbraw/zinc/23/16/05/386231605.db2.gz VRDHRNKBHHBCNA-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(-c2ccoc2)no1 ZINC000347092672 386245301 /nfs/dbraw/zinc/24/53/01/386245301.db2.gz AOKDIAVQUCDOGT-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000226367859 386282774 /nfs/dbraw/zinc/28/27/74/386282774.db2.gz INHVTQNWWZHFEE-IACUBPJLSA-N 1 2 247.338 2.679 20 0 BFADLO CCSCCc1[nH+]c2ccccc2n1C ZINC000289327439 386285868 /nfs/dbraw/zinc/28/58/68/386285868.db2.gz CHQQFLUSFZSEIU-UHFFFAOYSA-N 1 2 220.341 2.869 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000276239129 386289238 /nfs/dbraw/zinc/28/92/38/386289238.db2.gz BWXKDFVNTCNLJA-JGVFFNPUSA-N 1 2 248.248 2.936 20 0 BFADLO CCC1(CC)C[NH+](Cc2cc(F)ncc2F)C1 ZINC000297536252 386264531 /nfs/dbraw/zinc/26/45/31/386264531.db2.gz YBYQUVDKENWPFH-UHFFFAOYSA-N 1 2 240.297 2.982 20 0 BFADLO CC(C)[C@@H]([NH2+][C@@H](C)C1CC1)C(F)(F)F ZINC000336651078 386265877 /nfs/dbraw/zinc/26/58/77/386265877.db2.gz JJLDBUPQERETCO-IONNQARKSA-N 1 2 209.255 2.961 20 0 BFADLO C[C@H](CCO)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803693 386269287 /nfs/dbraw/zinc/26/92/87/386269287.db2.gz CDDCVOCYFKFTHB-MRVPVSSYSA-N 1 2 248.248 2.531 20 0 BFADLO CCCc1nc(C[N@H+](C)CC(C)(C)C)no1 ZINC000336661701 386279145 /nfs/dbraw/zinc/27/91/45/386279145.db2.gz BZTGQUXEJSYSFO-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)CC(C)(C)C)no1 ZINC000336661701 386279153 /nfs/dbraw/zinc/27/91/53/386279153.db2.gz BZTGQUXEJSYSFO-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccon1 ZINC000265450215 386339904 /nfs/dbraw/zinc/33/99/04/386339904.db2.gz CSCAMMJBKHIQQL-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccon1 ZINC000265450215 386339907 /nfs/dbraw/zinc/33/99/07/386339907.db2.gz CSCAMMJBKHIQQL-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO c1coc(C2=CCC[N@@H+](Cc3cocn3)C2)c1 ZINC000289672618 386342244 /nfs/dbraw/zinc/34/22/44/386342244.db2.gz ZEYMSJGTOCWVLW-UHFFFAOYSA-N 1 2 230.267 2.557 20 0 BFADLO c1coc(C2=CCC[N@H+](Cc3cocn3)C2)c1 ZINC000289672618 386342264 /nfs/dbraw/zinc/34/22/64/386342264.db2.gz ZEYMSJGTOCWVLW-UHFFFAOYSA-N 1 2 230.267 2.557 20 0 BFADLO CC(C)[C@@H](NC(=O)C[C@@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000276556550 386343708 /nfs/dbraw/zinc/34/37/08/386343708.db2.gz GXZFFCJJBYQMTE-DGCLKSJQSA-N 1 2 247.342 2.579 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000347348908 386344460 /nfs/dbraw/zinc/34/44/60/386344460.db2.gz HZQYKPOCBYVPQU-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000347348908 386344466 /nfs/dbraw/zinc/34/44/66/386344466.db2.gz HZQYKPOCBYVPQU-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276557725 386344896 /nfs/dbraw/zinc/34/48/96/386344896.db2.gz BROZVYCDSHCZQN-VXGBXAGGSA-N 1 2 249.358 2.552 20 0 BFADLO COc1cc(CCO)ccc1[NH2+]CC1CCCC1 ZINC000289733899 386347897 /nfs/dbraw/zinc/34/78/97/386347897.db2.gz PAABPKLHWDMBEU-UHFFFAOYSA-N 1 2 249.354 2.832 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccccc2C)nc1 ZINC000336685597 386358634 /nfs/dbraw/zinc/35/86/34/386358634.db2.gz AAOAYSVZBNQTSE-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2C)nc1 ZINC000336685597 386358637 /nfs/dbraw/zinc/35/86/37/386358637.db2.gz AAOAYSVZBNQTSE-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Clc1ccccc1CN1CCc2[nH+]c[nH]c2C1 ZINC000647933584 386367087 /nfs/dbraw/zinc/36/70/87/386367087.db2.gz UTCGJRNSEKOXEW-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000276710640 386368128 /nfs/dbraw/zinc/36/81/28/386368128.db2.gz CYZOUCJWNLWDTJ-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccco2)n1 ZINC000289940890 386374102 /nfs/dbraw/zinc/37/41/02/386374102.db2.gz XFALLYHYGMRLMO-GFCCVEGCSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccco2)n1 ZINC000289940890 386374107 /nfs/dbraw/zinc/37/41/07/386374107.db2.gz XFALLYHYGMRLMO-GFCCVEGCSA-N 1 2 247.298 2.698 20 0 BFADLO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccco1 ZINC000164822479 386330059 /nfs/dbraw/zinc/33/00/59/386330059.db2.gz JSUCZLBBRZMSBR-GFCCVEGCSA-N 1 2 247.342 2.983 20 0 BFADLO c1coc(CNc2cc(NCC3CC3)[nH+]cn2)c1 ZINC000265432503 386335057 /nfs/dbraw/zinc/33/50/57/386335057.db2.gz NKYRTYVEVPELOS-UHFFFAOYSA-N 1 2 244.298 2.504 20 0 BFADLO c1coc(CNc2cc(NCC3CC3)nc[nH+]2)c1 ZINC000265432503 386335065 /nfs/dbraw/zinc/33/50/65/386335065.db2.gz NKYRTYVEVPELOS-UHFFFAOYSA-N 1 2 244.298 2.504 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000265415718 386336801 /nfs/dbraw/zinc/33/68/01/386336801.db2.gz GTXVSRFYIIWFBW-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000265415718 386336806 /nfs/dbraw/zinc/33/68/06/386336806.db2.gz GTXVSRFYIIWFBW-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC(C)n1ccc(C[N@H+](C)CCC(F)(F)F)n1 ZINC000336717141 386437957 /nfs/dbraw/zinc/43/79/57/386437957.db2.gz XXGUSTNKQPCUCE-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CC(C)n1ccc(C[N@@H+](C)CCC(F)(F)F)n1 ZINC000336717141 386437961 /nfs/dbraw/zinc/43/79/61/386437961.db2.gz XXGUSTNKQPCUCE-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO Cc1cn[nH]c1C[N@H+](Cc1ccccc1)C1CC1 ZINC000290455905 386438868 /nfs/dbraw/zinc/43/88/68/386438868.db2.gz OZOPNMPBMRZFGP-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000290455905 386438872 /nfs/dbraw/zinc/43/88/72/386438872.db2.gz OZOPNMPBMRZFGP-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1cn[nH]c1C[N@H+](Cc1cccs1)C1CC1 ZINC000290503599 386445506 /nfs/dbraw/zinc/44/55/06/386445506.db2.gz SRNAESJHTSAUIH-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](Cc1cccs1)C1CC1 ZINC000290503599 386445510 /nfs/dbraw/zinc/44/55/10/386445510.db2.gz SRNAESJHTSAUIH-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO Cc1c[nH]nc1C[N@H+](Cc1cccs1)C1CC1 ZINC000290503599 386445513 /nfs/dbraw/zinc/44/55/13/386445513.db2.gz SRNAESJHTSAUIH-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000290503599 386445517 /nfs/dbraw/zinc/44/55/17/386445517.db2.gz SRNAESJHTSAUIH-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO Cc1c[nH+]cc(NCc2cnc([C@H](C)O)s2)c1 ZINC000290539040 386450649 /nfs/dbraw/zinc/45/06/49/386450649.db2.gz YOIZRONPNNTSJY-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC(C)(C)C2)cc[nH+]1 ZINC000339369325 386391220 /nfs/dbraw/zinc/39/12/20/386391220.db2.gz PRJVMLXKUVSIDN-GFCCVEGCSA-N 1 2 246.354 2.967 20 0 BFADLO CCC[C@@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226800615 386393100 /nfs/dbraw/zinc/39/31/00/386393100.db2.gz ISKFXAPZWOVYPO-SECBINFHSA-N 1 2 248.248 2.673 20 0 BFADLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cocn1 ZINC000277035340 386400892 /nfs/dbraw/zinc/40/08/92/386400892.db2.gz OLBCWAZRLJMWTO-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO CSC1(CNc2c[nH+]cc(C)c2)CC1 ZINC000290232353 386408897 /nfs/dbraw/zinc/40/88/97/386408897.db2.gz FXTCEKHVDHKMSX-UHFFFAOYSA-N 1 2 208.330 2.698 20 0 BFADLO COC(C)(C)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000266221131 386413025 /nfs/dbraw/zinc/41/30/25/386413025.db2.gz HQVXJIQYAJFPDY-JTQLQIEISA-N 1 2 249.358 2.970 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCS[C@@H]2C)[nH+]1 ZINC000645401864 386427036 /nfs/dbraw/zinc/42/70/36/386427036.db2.gz MUJSUWKVVKAIST-XCBNKYQSSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc(N2CCC[C@H]2C2CCCC2)cc[nH+]1 ZINC000266365547 386432062 /nfs/dbraw/zinc/43/20/62/386432062.db2.gz LASBNHNZHLJBHW-ZDUSSCGKSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000336714501 386434545 /nfs/dbraw/zinc/43/45/45/386434545.db2.gz TXFWZCVCLDCVPO-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1cc(C)n(C)n1 ZINC000336714501 386434549 /nfs/dbraw/zinc/43/45/49/386434549.db2.gz TXFWZCVCLDCVPO-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccc([C@H](C)[N@H+](C)Cc2nccn2C)cc1 ZINC000299594888 386469471 /nfs/dbraw/zinc/46/94/71/386469471.db2.gz KXZJPWHZTNQGRO-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2nccn2C)cc1 ZINC000299594888 386469475 /nfs/dbraw/zinc/46/94/75/386469475.db2.gz KXZJPWHZTNQGRO-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO C[NH+](C)Cc1nc(C(C)(C)C2=CCCCC2)no1 ZINC000277947384 386478945 /nfs/dbraw/zinc/47/89/45/386478945.db2.gz FHRHKPBQECHCNR-UHFFFAOYSA-N 1 2 249.358 2.909 20 0 BFADLO C[C@@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)CO1 ZINC000335430062 386486995 /nfs/dbraw/zinc/48/69/95/386486995.db2.gz SGIGNKWLQROALP-SKDRFNHKSA-N 1 2 246.285 2.963 20 0 BFADLO CC[C@@H]([NH2+]C1CCC(OC)CC1)C(F)(F)F ZINC000336758655 386496254 /nfs/dbraw/zinc/49/62/54/386496254.db2.gz ILCITBKISRGVFL-UDNWOFFPSA-N 1 2 239.281 2.875 20 0 BFADLO CCC1(C)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000291257851 386529640 /nfs/dbraw/zinc/52/96/40/386529640.db2.gz GXHDVWLHFLECIY-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO CCSCCCNc1cc[nH+]c(C(C)C)n1 ZINC000336779970 386516781 /nfs/dbraw/zinc/51/67/81/386516781.db2.gz PYZDITCUVHUTOC-UHFFFAOYSA-N 1 2 239.388 2.577 20 0 BFADLO C[C@@H](CO)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000134960150 386453856 /nfs/dbraw/zinc/45/38/56/386453856.db2.gz BPMMGFOOCOSGFK-QWRGUYRKSA-N 1 2 230.311 2.664 20 0 BFADLO CC(C)CCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299472977 386454378 /nfs/dbraw/zinc/45/43/78/386454378.db2.gz AUQZJONOTIDPAU-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)[C@@H]([NH2+]C[C@@H]1CCCOC1)C(F)(F)F ZINC000336727563 386463505 /nfs/dbraw/zinc/46/35/05/386463505.db2.gz CADMMWKVUJRMHB-VHSXEESVSA-N 1 2 239.281 2.590 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)C1CCC1 ZINC000457860217 386464360 /nfs/dbraw/zinc/46/43/60/386464360.db2.gz BLIJAFCCUPTWTE-WDEREUQCSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)C1CCC1 ZINC000457860212 386464945 /nfs/dbraw/zinc/46/49/45/386464945.db2.gz BLIJAFCCUPTWTE-MNOVXSKESA-N 1 2 249.358 2.516 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)cc1C ZINC000278802158 386586599 /nfs/dbraw/zinc/58/65/99/386586599.db2.gz ZKSWAJXPRXEZBD-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO Cc1cncc(NCCCc2cccc(C)[nH+]2)n1 ZINC000343238851 386534305 /nfs/dbraw/zinc/53/43/05/386534305.db2.gz OKERHKDUWBVSCH-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO CCC1(C)CN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000291363866 386536246 /nfs/dbraw/zinc/53/62/46/386536246.db2.gz QZNTYIHMOKZXQK-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO COC[C@@H](C)N(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267425158 386539444 /nfs/dbraw/zinc/53/94/44/386539444.db2.gz VLNMUBUEZGEGOV-MRVPVSSYSA-N 1 2 248.248 2.572 20 0 BFADLO CC[C@@H](CO)Nc1[nH+]c2ccccc2cc1C ZINC000063105695 386539561 /nfs/dbraw/zinc/53/95/61/386539561.db2.gz IZCPXTJIMRCQSF-LBPRGKRZSA-N 1 2 230.311 2.726 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCCC1 ZINC000287411748 386544002 /nfs/dbraw/zinc/54/40/02/386544002.db2.gz FEXAJZVWKLGAPL-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO C[N@H+](Cc1nnsc1Cl)C1(C)CCCC1 ZINC000519799415 386556463 /nfs/dbraw/zinc/55/64/63/386556463.db2.gz PUZQNOUNAKSSSG-UHFFFAOYSA-N 1 2 245.779 2.956 20 0 BFADLO C[N@@H+](Cc1nnsc1Cl)C1(C)CCCC1 ZINC000519799415 386556469 /nfs/dbraw/zinc/55/64/69/386556469.db2.gz PUZQNOUNAKSSSG-UHFFFAOYSA-N 1 2 245.779 2.956 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000243274847 386561123 /nfs/dbraw/zinc/56/11/23/386561123.db2.gz KXBTZDCPRHWFCE-LLVKDONJSA-N 1 2 234.347 2.677 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000243274847 386561128 /nfs/dbraw/zinc/56/11/28/386561128.db2.gz KXBTZDCPRHWFCE-LLVKDONJSA-N 1 2 234.347 2.677 20 0 BFADLO Oc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1Cl ZINC000335407773 386567920 /nfs/dbraw/zinc/56/79/20/386567920.db2.gz UCWZAAYKVWJSLA-SECBINFHSA-N 1 2 229.682 2.589 20 0 BFADLO Oc1cccc(C[N@H+]2CC[C@@H](F)C2)c1Cl ZINC000335407773 386567923 /nfs/dbraw/zinc/56/79/23/386567923.db2.gz UCWZAAYKVWJSLA-SECBINFHSA-N 1 2 229.682 2.589 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2occc2C)o1 ZINC000292114863 386619677 /nfs/dbraw/zinc/61/96/77/386619677.db2.gz HETJUVLZMXHQFX-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2occc2C)o1 ZINC000292114863 386619685 /nfs/dbraw/zinc/61/96/85/386619685.db2.gz HETJUVLZMXHQFX-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1Cc2cccnc2C1 ZINC000644933759 386621672 /nfs/dbraw/zinc/62/16/72/386621672.db2.gz ZCWMIIIHCQVDPB-UHFFFAOYSA-N 1 2 234.343 2.602 20 0 BFADLO CC(C)(C)OCCC[N@H+]1Cc2cccnc2C1 ZINC000644933759 386621677 /nfs/dbraw/zinc/62/16/77/386621677.db2.gz ZCWMIIIHCQVDPB-UHFFFAOYSA-N 1 2 234.343 2.602 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccccc2F)ncn1 ZINC000292134789 386622823 /nfs/dbraw/zinc/62/28/23/386622823.db2.gz HEEOBLRXOXAMMJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccccc2F)ncn1 ZINC000292134789 386622829 /nfs/dbraw/zinc/62/28/29/386622829.db2.gz HEEOBLRXOXAMMJ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000335503506 386632672 /nfs/dbraw/zinc/63/26/72/386632672.db2.gz PAWXWECDFIVCMA-FZMZJTMJSA-N 1 2 230.311 2.827 20 0 BFADLO C[N@H+](CCF)Cc1ccc(F)cc1Cl ZINC000268290425 386638682 /nfs/dbraw/zinc/63/86/82/386638682.db2.gz IZQHWMGWHGJVHH-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(F)cc1Cl ZINC000268290425 386638688 /nfs/dbraw/zinc/63/86/88/386638688.db2.gz IZQHWMGWHGJVHH-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2F)o1 ZINC000292274381 386643959 /nfs/dbraw/zinc/64/39/59/386643959.db2.gz ZXBHZBOEZPIICO-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC12CCC2 ZINC000644972536 386646452 /nfs/dbraw/zinc/64/64/52/386646452.db2.gz JKQGTLGZJKYISS-LLVKDONJSA-N 1 2 230.311 2.827 20 0 BFADLO CCC[C@@](C)(O)CNc1cc[nH+]c2ccncc12 ZINC000267937158 386600159 /nfs/dbraw/zinc/60/01/59/386600159.db2.gz GTSZNUMWEHGBFN-CQSZACIVSA-N 1 2 245.326 2.593 20 0 BFADLO FC1(F)CC(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000291977289 386606062 /nfs/dbraw/zinc/60/60/62/386606062.db2.gz WQXZHGLWANIMCR-UHFFFAOYSA-N 1 2 239.269 2.811 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccsc2)[nH]1 ZINC000292001216 386607514 /nfs/dbraw/zinc/60/75/14/386607514.db2.gz BTZYWPDQJLTRSQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccsc2)[nH]1 ZINC000292001216 386607522 /nfs/dbraw/zinc/60/75/22/386607522.db2.gz BTZYWPDQJLTRSQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccnn1C(C)C ZINC000292418682 386667649 /nfs/dbraw/zinc/66/76/49/386667649.db2.gz VDPPLTASBVDSDH-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccnn1C(C)C ZINC000292418682 386667657 /nfs/dbraw/zinc/66/76/57/386667657.db2.gz VDPPLTASBVDSDH-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CNc1[nH+]cnc2c1cnn2C[C@@H](C)CC(C)C ZINC000337232029 386682459 /nfs/dbraw/zinc/68/24/59/386682459.db2.gz VBTWIQHUYZMTQP-JTQLQIEISA-N 1 2 247.346 2.550 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C(F)(F)F ZINC000335527250 386670450 /nfs/dbraw/zinc/67/04/50/386670450.db2.gz HDPJGHUEJARKJT-SSDOTTSWSA-N 1 2 246.232 2.835 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC1(C)C ZINC000335526545 386670719 /nfs/dbraw/zinc/67/07/19/386670719.db2.gz CDTNESTZAUQPER-SNVBAGLBSA-N 1 2 218.300 2.683 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2nccs2)C1 ZINC000648058286 386672832 /nfs/dbraw/zinc/67/28/32/386672832.db2.gz BOZCWCPSCKUNKP-UHFFFAOYSA-N 1 2 232.299 2.620 20 0 BFADLO CCC[C@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000050506687 386674427 /nfs/dbraw/zinc/67/44/27/386674427.db2.gz FPSGWCPWUXLJKC-JSGCOSHPSA-N 1 2 249.354 2.927 20 0 BFADLO CC[C@H]1CC[C@@H](C(=O)Nc2c(C)cc[nH+]c2C)O1 ZINC000335529665 386677116 /nfs/dbraw/zinc/67/71/16/386677116.db2.gz RPBWMIBWEOJLPQ-RYUDHWBXSA-N 1 2 248.326 2.595 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000648059418 386680199 /nfs/dbraw/zinc/68/01/99/386680199.db2.gz OPXIAYDGSDKKRJ-CMPLNLGQSA-N 1 2 242.326 2.644 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000246873854 386681403 /nfs/dbraw/zinc/68/14/03/386681403.db2.gz JLUCTUIWRPNYPV-FPMFFAJLSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)CCC(F)(F)F)o1 ZINC000357006100 386685356 /nfs/dbraw/zinc/68/53/56/386685356.db2.gz NKDXILDURIUJSW-MRVPVSSYSA-N 1 2 236.237 2.928 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)CCC(F)(F)F)o1 ZINC000357006100 386685360 /nfs/dbraw/zinc/68/53/60/386685360.db2.gz NKDXILDURIUJSW-MRVPVSSYSA-N 1 2 236.237 2.928 20 0 BFADLO Cc1nc(N[C@H](C2CC2)C2CCC2)cc[nH+]1 ZINC000324951463 386704866 /nfs/dbraw/zinc/70/48/66/386704866.db2.gz BOSMQOAGZBILEB-ZDUSSCGKSA-N 1 2 217.316 2.776 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cncs1 ZINC000292826251 386733743 /nfs/dbraw/zinc/73/37/43/386733743.db2.gz QOZAKEOOISIYLO-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cncs1 ZINC000292826251 386733749 /nfs/dbraw/zinc/73/37/49/386733749.db2.gz QOZAKEOOISIYLO-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO c1n[nH]c2c1CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000645100468 386715927 /nfs/dbraw/zinc/71/59/27/386715927.db2.gz KGFWRBKGPGRCPB-CYBMUJFWSA-N 1 2 231.343 2.657 20 0 BFADLO c1n[nH]c2c1CC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000645100468 386715932 /nfs/dbraw/zinc/71/59/32/386715932.db2.gz KGFWRBKGPGRCPB-CYBMUJFWSA-N 1 2 231.343 2.657 20 0 BFADLO Cc1nc(C(C)(C)[NH2+]Cc2ccccc2C)no1 ZINC000357102480 386717306 /nfs/dbraw/zinc/71/73/06/386717306.db2.gz PDXOOAAYZJJXIX-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cc1nc(N2CC[C@H]2C(C)C)c2c([nH+]1)CCCC2 ZINC000450807380 386722748 /nfs/dbraw/zinc/72/27/48/386722748.db2.gz GXBNZVAHYBFWRI-AWEZNQCLSA-N 1 2 245.370 2.899 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357133040 386723127 /nfs/dbraw/zinc/72/31/27/386723127.db2.gz MQUCOLOFORWCGD-QWRGUYRKSA-N 1 2 235.331 2.509 20 0 BFADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cocn2)C1 ZINC000191977032 386726042 /nfs/dbraw/zinc/72/60/42/386726042.db2.gz MEDIWJPTNZRLKQ-BXUZGUMPSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cocn2)C1 ZINC000191977032 386726047 /nfs/dbraw/zinc/72/60/47/386726047.db2.gz MEDIWJPTNZRLKQ-BXUZGUMPSA-N 1 2 243.310 2.653 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)O ZINC000292796128 386728382 /nfs/dbraw/zinc/72/83/82/386728382.db2.gz MWJPPAMXXBVYTC-LLVKDONJSA-N 1 2 249.358 2.624 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000292945851 386755565 /nfs/dbraw/zinc/75/55/65/386755565.db2.gz DPPNUAPNKUOFMF-LLVKDONJSA-N 1 2 240.347 2.954 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000292945851 386755570 /nfs/dbraw/zinc/75/55/70/386755570.db2.gz DPPNUAPNKUOFMF-LLVKDONJSA-N 1 2 240.347 2.954 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000292972908 386757261 /nfs/dbraw/zinc/75/72/61/386757261.db2.gz GQCPTGHIULXRSO-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000292972908 386757264 /nfs/dbraw/zinc/75/72/64/386757264.db2.gz GQCPTGHIULXRSO-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000293039612 386768599 /nfs/dbraw/zinc/76/85/99/386768599.db2.gz MAWNNGOHGZYHRR-SECBINFHSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000293039612 386768605 /nfs/dbraw/zinc/76/86/05/386768605.db2.gz MAWNNGOHGZYHRR-SECBINFHSA-N 1 2 229.245 2.899 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccsc1 ZINC000334635475 386769024 /nfs/dbraw/zinc/76/90/24/386769024.db2.gz NQRVEDVOLOACFG-UHFFFAOYSA-N 1 2 247.323 2.533 20 0 BFADLO Cc1ccc2c(c1)CN(c1cccc[nH+]1)C2 ZINC000334639373 386781526 /nfs/dbraw/zinc/78/15/26/386781526.db2.gz AKVFBIBTUYGPQC-UHFFFAOYSA-N 1 2 210.280 2.910 20 0 BFADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)cc1 ZINC000280535172 386821746 /nfs/dbraw/zinc/82/17/46/386821746.db2.gz SGYIKEFYYZACDB-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)cc1 ZINC000280535172 386821751 /nfs/dbraw/zinc/82/17/51/386821751.db2.gz SGYIKEFYYZACDB-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)cc1 ZINC000280535172 386821756 /nfs/dbraw/zinc/82/17/56/386821756.db2.gz SGYIKEFYYZACDB-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)cc1 ZINC000280535172 386821760 /nfs/dbraw/zinc/82/17/60/386821760.db2.gz SGYIKEFYYZACDB-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO C[C@@H](c1cccc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000647939232 386822365 /nfs/dbraw/zinc/82/23/65/386822365.db2.gz GWRBXTFTNBOEOG-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)C(C)(F)F ZINC000293300406 386799649 /nfs/dbraw/zinc/79/96/49/386799649.db2.gz GONAAWIZZBEMME-QMMMGPOBSA-N 1 2 228.242 2.620 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)[C@H]2CC2(C)C)s1 ZINC000450879336 386801330 /nfs/dbraw/zinc/80/13/30/386801330.db2.gz UPBAICNBJJLHIK-VIFPVBQESA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)[C@H]2CC2(C)C)s1 ZINC000450879336 386801335 /nfs/dbraw/zinc/80/13/35/386801335.db2.gz UPBAICNBJJLHIK-VIFPVBQESA-N 1 2 239.388 2.892 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cnc[nH]1 ZINC000280372982 386807902 /nfs/dbraw/zinc/80/79/02/386807902.db2.gz DWLIRTOQDGCXNN-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000280372982 386807910 /nfs/dbraw/zinc/80/79/10/386807910.db2.gz DWLIRTOQDGCXNN-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1c[nH]cn1 ZINC000280372982 386807917 /nfs/dbraw/zinc/80/79/17/386807917.db2.gz DWLIRTOQDGCXNN-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000280372982 386807922 /nfs/dbraw/zinc/80/79/22/386807922.db2.gz DWLIRTOQDGCXNN-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO CO[C@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000293522554 386828856 /nfs/dbraw/zinc/82/88/56/386828856.db2.gz WHTPUPJRWTVSMG-YPMHNXCESA-N 1 2 248.326 2.534 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2csnn2)cc1 ZINC000398468534 386830025 /nfs/dbraw/zinc/83/00/25/386830025.db2.gz MJQNCZOAEMVSFX-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CCCCN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000301288707 386830762 /nfs/dbraw/zinc/83/07/62/386830762.db2.gz NZJQWGHYTFTPRD-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CCCCN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000301288707 386830766 /nfs/dbraw/zinc/83/07/66/386830766.db2.gz NZJQWGHYTFTPRD-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000293542498 386831931 /nfs/dbraw/zinc/83/19/31/386831931.db2.gz KJKOPMFGNYIZJS-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1Cl ZINC000293542498 386831941 /nfs/dbraw/zinc/83/19/41/386831941.db2.gz KJKOPMFGNYIZJS-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO C[N@H+](Cc1c(F)ccc(O)c1F)[C@H]1CC1(C)C ZINC000353231309 386832579 /nfs/dbraw/zinc/83/25/79/386832579.db2.gz IVEJVIRFQGRLLV-NSHDSACASA-N 1 2 241.281 2.901 20 0 BFADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@H]1CC1(C)C ZINC000353231309 386832584 /nfs/dbraw/zinc/83/25/84/386832584.db2.gz IVEJVIRFQGRLLV-NSHDSACASA-N 1 2 241.281 2.901 20 0 BFADLO CCSc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366557652 386836253 /nfs/dbraw/zinc/83/62/53/386836253.db2.gz JQYRBKVVKHYHJQ-UONOGXRCSA-N 1 2 249.379 2.772 20 0 BFADLO CCSc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000366557652 386836263 /nfs/dbraw/zinc/83/62/63/386836263.db2.gz JQYRBKVVKHYHJQ-UONOGXRCSA-N 1 2 249.379 2.772 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000293572018 386839058 /nfs/dbraw/zinc/83/90/58/386839058.db2.gz HAQWHYXBWMTXBW-GFCCVEGCSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000293572018 386839062 /nfs/dbraw/zinc/83/90/62/386839062.db2.gz HAQWHYXBWMTXBW-GFCCVEGCSA-N 1 2 243.709 2.700 20 0 BFADLO c1n[nH]c([C@@H]([NH2+]CC2CCC2)C2CCCCC2)n1 ZINC000330238768 386840643 /nfs/dbraw/zinc/84/06/43/386840643.db2.gz DLBNDIMQLRUFPB-ZDUSSCGKSA-N 1 2 248.374 2.816 20 0 BFADLO CC1CC(Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000425341056 386842890 /nfs/dbraw/zinc/84/28/90/386842890.db2.gz BYLXYECKHOLCET-UHFFFAOYSA-N 1 2 231.343 2.892 20 0 BFADLO CCc1cccc(NCc2[nH+]cc(C)n2C)c1 ZINC000341128672 386843424 /nfs/dbraw/zinc/84/34/24/386843424.db2.gz XECICYQTDFALRF-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(C)c(C)c2)n1C ZINC000341143868 386844883 /nfs/dbraw/zinc/84/48/83/386844883.db2.gz HAMICSUFJKOLHH-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO Cc1nc(N(C)CCC(C)(C)C)cc[nH+]1 ZINC000645342258 386848148 /nfs/dbraw/zinc/84/81/48/386848148.db2.gz PXODTJVFLYTNNR-UHFFFAOYSA-N 1 2 207.321 2.657 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1conc1C ZINC000293857181 386891461 /nfs/dbraw/zinc/89/14/61/386891461.db2.gz ICONKDWVPWWSEA-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1conc1C ZINC000293857181 386891462 /nfs/dbraw/zinc/89/14/62/386891462.db2.gz ICONKDWVPWWSEA-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC[C@@H](C)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301917582 386891575 /nfs/dbraw/zinc/89/15/75/386891575.db2.gz WCIPKXHKBUAIQK-SNVBAGLBSA-N 1 2 244.342 2.694 20 0 BFADLO Fc1cccc2c1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000334791126 386856078 /nfs/dbraw/zinc/85/60/78/386856078.db2.gz VYQFZPKSBHZTOP-GFCCVEGCSA-N 1 2 235.302 2.710 20 0 BFADLO Fc1cccc2c1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000334791126 386856084 /nfs/dbraw/zinc/85/60/84/386856084.db2.gz VYQFZPKSBHZTOP-GFCCVEGCSA-N 1 2 235.302 2.710 20 0 BFADLO CC[C@H](COC)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301601636 386859188 /nfs/dbraw/zinc/85/91/88/386859188.db2.gz VOJCOGXOIVAPNF-SNVBAGLBSA-N 1 2 237.347 2.611 20 0 BFADLO Cc1n[nH]cc1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000334792996 386859701 /nfs/dbraw/zinc/85/97/01/386859701.db2.gz PMCMIUKMAUZQMO-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Cc1n[nH]cc1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000334792996 386859702 /nfs/dbraw/zinc/85/97/02/386859702.db2.gz PMCMIUKMAUZQMO-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000293736897 386868488 /nfs/dbraw/zinc/86/84/88/386868488.db2.gz ZSHSOUYJDYAWKF-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000293736897 386868491 /nfs/dbraw/zinc/86/84/91/386868491.db2.gz ZSHSOUYJDYAWKF-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO Cc1ccc2c(c1)[C@H](Nc1cc(C)[nH+]cn1)CO2 ZINC000301687163 386868771 /nfs/dbraw/zinc/86/87/71/386868771.db2.gz VZAOMOFUNYXCID-GFCCVEGCSA-N 1 2 241.294 2.639 20 0 BFADLO CC(C)Cn1ccnc1CNc1cccc[nH+]1 ZINC000301735531 386873579 /nfs/dbraw/zinc/87/35/79/386873579.db2.gz AZRQZZWUIGIQFR-UHFFFAOYSA-N 1 2 230.315 2.546 20 0 BFADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)C1CCC1 ZINC000301819254 386881015 /nfs/dbraw/zinc/88/10/15/386881015.db2.gz IVXVTLZAKSZBJO-JTQLQIEISA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)C1CCC1 ZINC000301819254 386881017 /nfs/dbraw/zinc/88/10/17/386881017.db2.gz IVXVTLZAKSZBJO-JTQLQIEISA-N 1 2 246.358 2.899 20 0 BFADLO c1nc(NCC2CC2)cc(NCC2CCC2)[nH+]1 ZINC000301828157 386881721 /nfs/dbraw/zinc/88/17/21/386881721.db2.gz NZVMUAIEGNAVBN-UHFFFAOYSA-N 1 2 232.331 2.511 20 0 BFADLO c1nc(NCC2CCC2)cc(NCC2CC2)[nH+]1 ZINC000301828157 386881728 /nfs/dbraw/zinc/88/17/28/386881728.db2.gz NZVMUAIEGNAVBN-UHFFFAOYSA-N 1 2 232.331 2.511 20 0 BFADLO CC(C)(C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301856043 386883960 /nfs/dbraw/zinc/88/39/60/386883960.db2.gz CXLUXPUWGUHUKV-UHFFFAOYSA-N 1 2 230.315 2.670 20 0 BFADLO Cc1cc(NCCC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000341501466 386914041 /nfs/dbraw/zinc/91/40/41/386914041.db2.gz NMOCVUAIIJIWGA-UHFFFAOYSA-N 1 2 233.359 2.932 20 0 BFADLO C[C@H](CSCCn1cc[nH+]c1)C(F)(F)F ZINC000341475490 386916154 /nfs/dbraw/zinc/91/61/54/386916154.db2.gz IGITVBCEYANETL-MRVPVSSYSA-N 1 2 238.278 2.815 20 0 BFADLO CCCc1[nH+]c2ccccc2n1CC1(O)CCC1 ZINC000341384702 386900009 /nfs/dbraw/zinc/90/00/09/386900009.db2.gz XJWPSLONNIFLLP-UHFFFAOYSA-N 1 2 244.338 2.904 20 0 BFADLO CCCn1cc(Nc2cc(CC)[nH+]c(C)n2)cn1 ZINC000302095334 386901431 /nfs/dbraw/zinc/90/14/31/386901431.db2.gz NUMWTBUEYAFPIM-UHFFFAOYSA-N 1 2 245.330 2.698 20 0 BFADLO Clc1ccc(C[NH+]2CC3(C2)CCOC3)s1 ZINC000293911369 386901695 /nfs/dbraw/zinc/90/16/95/386901695.db2.gz GAANYDCUYPNOIY-UHFFFAOYSA-N 1 2 243.759 2.624 20 0 BFADLO C/C=C/C[C@@H](CO)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302242749 386919799 /nfs/dbraw/zinc/91/97/99/386919799.db2.gz JGMDXTOBFVWKAH-FYJFLYSWSA-N 1 2 249.358 2.647 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000349654635 386906495 /nfs/dbraw/zinc/90/64/95/386906495.db2.gz MYEBHWWEGXKVRH-MFKMUULPSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000349654635 386906499 /nfs/dbraw/zinc/90/64/99/386906499.db2.gz MYEBHWWEGXKVRH-MFKMUULPSA-N 1 2 245.326 2.758 20 0 BFADLO Cc1nocc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000293939796 386907490 /nfs/dbraw/zinc/90/74/90/386907490.db2.gz OFSPVTIWFRKKJZ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nocc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000293939796 386907495 /nfs/dbraw/zinc/90/74/95/386907495.db2.gz OFSPVTIWFRKKJZ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CSCCCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000341416044 386909951 /nfs/dbraw/zinc/90/99/51/386909951.db2.gz ZIMHQNKCUQNWOB-UHFFFAOYSA-N 1 2 239.388 2.789 20 0 BFADLO Cc1cc(NCC[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000358197588 386911766 /nfs/dbraw/zinc/91/17/66/386911766.db2.gz UAORZXBEIPBXKT-WCQYABFASA-N 1 2 233.359 2.835 20 0 BFADLO CN(C[C@H]1CC=CCC1)c1cccc[nH+]1 ZINC000302192731 386913153 /nfs/dbraw/zinc/91/31/53/386913153.db2.gz WDLOYMNRDVNBIB-LBPRGKRZSA-N 1 2 202.301 2.874 20 0 BFADLO c1ccc(NCCCNc2cccc[nH+]2)cc1 ZINC000302747949 386933530 /nfs/dbraw/zinc/93/35/30/386933530.db2.gz SUKXKFGGOCXVMS-UHFFFAOYSA-N 1 2 227.311 2.996 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302868565 386940956 /nfs/dbraw/zinc/94/09/56/386940956.db2.gz AGNKLFQWYLYPJO-GFCCVEGCSA-N 1 2 248.374 2.559 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302868565 386940961 /nfs/dbraw/zinc/94/09/61/386940961.db2.gz AGNKLFQWYLYPJO-GFCCVEGCSA-N 1 2 248.374 2.559 20 0 BFADLO CSCC[N@H+](CC(F)F)CC1CCC1 ZINC000341753977 386961380 /nfs/dbraw/zinc/96/13/80/386961380.db2.gz KYDDAKFXSYQEJB-UHFFFAOYSA-N 1 2 223.332 2.717 20 0 BFADLO CSCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341753977 386961385 /nfs/dbraw/zinc/96/13/85/386961385.db2.gz KYDDAKFXSYQEJB-UHFFFAOYSA-N 1 2 223.332 2.717 20 0 BFADLO CCCC(C)(C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368455732 386976669 /nfs/dbraw/zinc/97/66/69/386976669.db2.gz SWBMSRHVRJSGSP-JTQLQIEISA-N 1 2 249.358 2.525 20 0 BFADLO CCCC(C)(C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000368455732 386976675 /nfs/dbraw/zinc/97/66/75/386976675.db2.gz SWBMSRHVRJSGSP-JTQLQIEISA-N 1 2 249.358 2.525 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334904530 386978091 /nfs/dbraw/zinc/97/80/91/386978091.db2.gz QQZHAWYUQYIVNG-KGLIPLIRSA-N 1 2 235.302 2.579 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000334904530 386978097 /nfs/dbraw/zinc/97/80/97/386978097.db2.gz QQZHAWYUQYIVNG-KGLIPLIRSA-N 1 2 235.302 2.579 20 0 BFADLO COC1(CC(=O)Nc2c(C)cc[nH+]c2C)CCC1 ZINC000332494505 386985663 /nfs/dbraw/zinc/98/56/63/386985663.db2.gz UNCQQZMDOYCJFK-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO CC[C@H]1CCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425389261 387039643 /nfs/dbraw/zinc/03/96/43/387039643.db2.gz YSBFTHLOYBZAKS-QMMMGPOBSA-N 1 2 245.273 2.772 20 0 BFADLO CC[C@H]1CCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425389261 387039650 /nfs/dbraw/zinc/03/96/50/387039650.db2.gz YSBFTHLOYBZAKS-QMMMGPOBSA-N 1 2 245.273 2.772 20 0 BFADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000070007368 387043147 /nfs/dbraw/zinc/04/31/47/387043147.db2.gz PNSBSFNPMVKGBQ-LLVKDONJSA-N 1 2 215.300 2.902 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cscc1C ZINC000336228550 387066965 /nfs/dbraw/zinc/06/69/65/387066965.db2.gz JKZIYNCSPVZVDY-UHFFFAOYSA-N 1 2 246.335 2.688 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000336223295 387064379 /nfs/dbraw/zinc/06/43/79/387064379.db2.gz SHVBAAZPWWNUGY-GFCCVEGCSA-N 1 2 245.301 2.621 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000336223295 387064381 /nfs/dbraw/zinc/06/43/81/387064381.db2.gz SHVBAAZPWWNUGY-GFCCVEGCSA-N 1 2 245.301 2.621 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2/C=C/CCCCC2)no1 ZINC000336029701 387010527 /nfs/dbraw/zinc/01/05/27/387010527.db2.gz BLNZKHRVAHZODC-WAFBPQNNSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2/C=C/CCCCC2)no1 ZINC000336029701 387010532 /nfs/dbraw/zinc/01/05/32/387010532.db2.gz BLNZKHRVAHZODC-WAFBPQNNSA-N 1 2 235.331 2.699 20 0 BFADLO CC[C@H](NC(=O)CC(C)(C)CC)c1[nH]cc[nH+]1 ZINC000331297957 387010783 /nfs/dbraw/zinc/01/07/83/387010783.db2.gz ZQDCNKRHCWYVFO-JTQLQIEISA-N 1 2 237.347 2.803 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]2C)c(C)[nH+]1 ZINC000334939984 387017151 /nfs/dbraw/zinc/01/71/51/387017151.db2.gz YRCCSNCJFIWNCH-LDYMZIIASA-N 1 2 233.315 2.618 20 0 BFADLO C[C@@H]([NH2+][C@H](c1ncn[nH]1)C1CCCCC1)C1CC1 ZINC000333242892 387022685 /nfs/dbraw/zinc/02/26/85/387022685.db2.gz QKDLLNQXHPGTIT-MFKMUULPSA-N 1 2 248.374 2.814 20 0 BFADLO CC1=C(C(=O)Nc2c[nH+]c3n2CCCC3)CCC1 ZINC000334880410 387024391 /nfs/dbraw/zinc/02/43/91/387024391.db2.gz DZKORVPDQMKWOH-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(C)CCCCC1 ZINC000527326118 387026377 /nfs/dbraw/zinc/02/63/77/387026377.db2.gz CCAYAJLGKUCPFI-UHFFFAOYSA-N 1 2 246.354 2.975 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2C)nn1C ZINC000334986699 387073894 /nfs/dbraw/zinc/07/38/94/387073894.db2.gz TVHBLKZBGAGLPJ-VIFPVBQESA-N 1 2 241.766 2.756 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2C)nn1C ZINC000334986699 387073899 /nfs/dbraw/zinc/07/38/99/387073899.db2.gz TVHBLKZBGAGLPJ-VIFPVBQESA-N 1 2 241.766 2.756 20 0 BFADLO C[C@@H](O)C[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228132353 387079811 /nfs/dbraw/zinc/07/98/11/387079811.db2.gz JCKBKMBUWLWTCU-HTQZYQBOSA-N 1 2 248.248 2.672 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336266963 387102206 /nfs/dbraw/zinc/10/22/06/387102206.db2.gz RIFNYGQUSGZURH-WCQYABFASA-N 1 2 237.322 2.670 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336266963 387102214 /nfs/dbraw/zinc/10/22/14/387102214.db2.gz RIFNYGQUSGZURH-WCQYABFASA-N 1 2 237.322 2.670 20 0 BFADLO CC(C)C1(C)CC[NH+](Cc2csnn2)CC1 ZINC000336279420 387111479 /nfs/dbraw/zinc/11/14/79/387111479.db2.gz BWUGHOKGCBAUHX-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO FCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000352370724 387115750 /nfs/dbraw/zinc/11/57/50/387115750.db2.gz CULMBEOHLUXZNO-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO FCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000352370724 387115755 /nfs/dbraw/zinc/11/57/55/387115755.db2.gz CULMBEOHLUXZNO-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO C[C@H](F)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000352403719 387147561 /nfs/dbraw/zinc/14/75/61/387147561.db2.gz XCLDLLWRNBCNFJ-BDAKNGLRSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@H](F)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000352403719 387147563 /nfs/dbraw/zinc/14/75/63/387147563.db2.gz XCLDLLWRNBCNFJ-BDAKNGLRSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@@H](F)CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000352403722 387147831 /nfs/dbraw/zinc/14/78/31/387147831.db2.gz XCLDLLWRNBCNFJ-RKDXNWHRSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@@H](F)CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000352403722 387147837 /nfs/dbraw/zinc/14/78/37/387147837.db2.gz XCLDLLWRNBCNFJ-RKDXNWHRSA-N 1 2 209.255 2.712 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000353174573 387149671 /nfs/dbraw/zinc/14/96/71/387149671.db2.gz XOCSKYKDLPRAQN-LBPRGKRZSA-N 1 2 241.281 2.795 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000353174573 387149678 /nfs/dbraw/zinc/14/96/78/387149678.db2.gz XOCSKYKDLPRAQN-LBPRGKRZSA-N 1 2 241.281 2.795 20 0 BFADLO CC(C)CCOCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353174592 387149805 /nfs/dbraw/zinc/14/98/05/387149805.db2.gz XSDSTLBFROEEOD-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)CCOCC[N@H+]1CCC[C@H]1C(F)F ZINC000353174592 387149812 /nfs/dbraw/zinc/14/98/12/387149812.db2.gz XSDSTLBFROEEOD-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccco1 ZINC000393321386 387159240 /nfs/dbraw/zinc/15/92/40/387159240.db2.gz HBCSSUDJPLLMDK-QMMMGPOBSA-N 1 2 239.706 2.517 20 0 BFADLO CCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120129532 387187173 /nfs/dbraw/zinc/18/71/73/387187173.db2.gz OQKYUDGUEPWANE-NSHDSACASA-N 1 2 235.331 2.654 20 0 BFADLO Cc1ccc(CNc2c[nH+]cc(C)c2)nc1 ZINC000119585305 387140979 /nfs/dbraw/zinc/14/09/79/387140979.db2.gz LNTKIUYQMYLDDB-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CCCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370746139 387141146 /nfs/dbraw/zinc/14/11/46/387141146.db2.gz YRKNLTPFPLWXFF-LLVKDONJSA-N 1 2 237.347 2.959 20 0 BFADLO CCCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370746139 387141151 /nfs/dbraw/zinc/14/11/51/387141151.db2.gz YRKNLTPFPLWXFF-LLVKDONJSA-N 1 2 237.347 2.959 20 0 BFADLO CC[N@H+](C[C@@H]1CCOC1)c1cccc(C)c1 ZINC000353463874 387207055 /nfs/dbraw/zinc/20/70/55/387207055.db2.gz RZIGCCUORUICQC-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@@H]1CCOC1)c1cccc(C)c1 ZINC000353463874 387207064 /nfs/dbraw/zinc/20/70/64/387207064.db2.gz RZIGCCUORUICQC-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO Cc1cc(N[C@@]2(C)CCO[C@H]2C)nc(C(C)C)[nH+]1 ZINC000230099128 387230575 /nfs/dbraw/zinc/23/05/75/387230575.db2.gz PUHFSVPBYMCIDE-FZMZJTMJSA-N 1 2 249.358 2.888 20 0 BFADLO CCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097039883 387235579 /nfs/dbraw/zinc/23/55/79/387235579.db2.gz AKNBNFAWWNAQDP-UHFFFAOYSA-N 1 2 206.289 2.745 20 0 BFADLO Cc1cnc(CNc2cc(C)[nH+]c(C(C)C)n2)o1 ZINC000230185898 387242650 /nfs/dbraw/zinc/24/26/50/387242650.db2.gz QNFYBNPYVRZQJH-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC(F)(F)C[NH3+] ZINC000423348208 387198576 /nfs/dbraw/zinc/19/85/76/387198576.db2.gz SHSNQFAYDCKOHR-UTUOFQBUSA-N 1 2 248.361 2.631 20 0 BFADLO C[C@@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000286196487 387319165 /nfs/dbraw/zinc/31/91/65/387319165.db2.gz REQZPHVEDRMHJG-QMMMGPOBSA-N 1 2 236.702 2.681 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000336489051 387315507 /nfs/dbraw/zinc/31/55/07/387315507.db2.gz KTJLMNOEECJLCQ-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000336489051 387315509 /nfs/dbraw/zinc/31/55/09/387315509.db2.gz KTJLMNOEECJLCQ-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1cccc2cc[nH]c21 ZINC000353812933 387279195 /nfs/dbraw/zinc/27/91/95/387279195.db2.gz YBAXNXJYJWROTK-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1cccc2cc[nH]c21 ZINC000353812933 387279199 /nfs/dbraw/zinc/27/91/99/387279199.db2.gz YBAXNXJYJWROTK-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Cc1nc(N(C)[C@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000514750219 387286261 /nfs/dbraw/zinc/28/62/61/387286261.db2.gz NDGXFKIJRMESOR-SNVBAGLBSA-N 1 2 245.370 2.899 20 0 BFADLO C[C@H]([NH2+]C/C=C/Cl)c1c(F)cncc1F ZINC000285841239 387287933 /nfs/dbraw/zinc/28/79/33/387287933.db2.gz WMDDTRRSRLJGII-AIYRYJHASA-N 1 2 232.661 2.763 20 0 BFADLO Cc1ccc(Cn2cc(Cl)cn2)c(C)[nH+]1 ZINC000336462475 387291998 /nfs/dbraw/zinc/29/19/98/387291998.db2.gz SDHBSYBCNWETRP-UHFFFAOYSA-N 1 2 221.691 2.597 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)oc1C ZINC000064030353 387301600 /nfs/dbraw/zinc/30/16/00/387301600.db2.gz GPBLIOGWCTUDAG-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2)oc1C ZINC000064030353 387301607 /nfs/dbraw/zinc/30/16/07/387301607.db2.gz GPBLIOGWCTUDAG-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Clc1ccc(CN2CCn3cc[nH+]c3C2)cc1 ZINC000336472005 387302234 /nfs/dbraw/zinc/30/22/34/387302234.db2.gz QIFXQGHTFKSIQJ-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000514922120 387308550 /nfs/dbraw/zinc/30/85/50/387308550.db2.gz FHTGUSGMCKGNNE-GRYCIOLGSA-N 1 2 249.358 2.863 20 0 BFADLO CO[C@H](C)C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000373288741 387355221 /nfs/dbraw/zinc/35/52/21/387355221.db2.gz ZUAAJNAALUNLFD-ZJUUUORDSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@H](C)C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000373288741 387355226 /nfs/dbraw/zinc/35/52/26/387355226.db2.gz ZUAAJNAALUNLFD-ZJUUUORDSA-N 1 2 242.750 2.553 20 0 BFADLO Cc1ccsc1C[NH+]1CCC(F)(F)C1 ZINC000336537049 387359418 /nfs/dbraw/zinc/35/94/18/387359418.db2.gz FRCVIQQCJWKICL-UHFFFAOYSA-N 1 2 217.284 2.898 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(F)F ZINC000515420335 387379015 /nfs/dbraw/zinc/37/90/15/387379015.db2.gz UNCFOQRHYWNDGI-QMMMGPOBSA-N 1 2 239.269 2.696 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(F)F ZINC000515420335 387379021 /nfs/dbraw/zinc/37/90/21/387379021.db2.gz UNCFOQRHYWNDGI-QMMMGPOBSA-N 1 2 239.269 2.696 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000354057672 387320945 /nfs/dbraw/zinc/32/09/45/387320945.db2.gz XZZMIRBGSNUANH-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1ccsc1Cl ZINC000354057672 387320952 /nfs/dbraw/zinc/32/09/52/387320952.db2.gz XZZMIRBGSNUANH-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)s1 ZINC000336559488 387383058 /nfs/dbraw/zinc/38/30/58/387383058.db2.gz VRMFBBIMKWIZSW-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)s1 ZINC000336559488 387383062 /nfs/dbraw/zinc/38/30/62/387383062.db2.gz VRMFBBIMKWIZSW-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO CC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000515119963 387336633 /nfs/dbraw/zinc/33/66/33/387336633.db2.gz FARHDHZKUVKDDH-UHFFFAOYSA-N 1 2 244.294 2.509 20 0 BFADLO CC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000515119963 387336639 /nfs/dbraw/zinc/33/66/39/387336639.db2.gz FARHDHZKUVKDDH-UHFFFAOYSA-N 1 2 244.294 2.509 20 0 BFADLO Cn1c[nH+]cc1CSc1nc2ccccc2[nH]1 ZINC000360709137 387339573 /nfs/dbraw/zinc/33/95/73/387339573.db2.gz YVFBWYYWBNTKBW-UHFFFAOYSA-N 1 2 244.323 2.589 20 0 BFADLO C[C@@H]1OCC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000360802510 387352281 /nfs/dbraw/zinc/35/22/81/387352281.db2.gz DJSOSGLXMUKSLO-GXFFZTMASA-N 1 2 232.327 2.550 20 0 BFADLO CC1(C)[C@H](Nc2cccc[nH+]2)[C@H]2CCCO[C@@H]21 ZINC000374140726 387427441 /nfs/dbraw/zinc/42/74/41/387427441.db2.gz BZRSXPDZCWBFNB-RTXFEEFZSA-N 1 2 232.327 2.697 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C3CC3)C2)cc[nH+]1 ZINC000374318951 387443256 /nfs/dbraw/zinc/44/32/56/387443256.db2.gz UGDSDXJEZQNURN-LBPRGKRZSA-N 1 2 231.343 2.836 20 0 BFADLO Cc1ccc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c[nH+]1 ZINC000515983824 387445913 /nfs/dbraw/zinc/44/59/13/387445913.db2.gz FBSJDIULGAUJLZ-PJXYFTJBSA-N 1 2 220.316 2.758 20 0 BFADLO C[C@H](CC(=O)N[C@@H](C)C1CCCC1)n1cc[nH+]c1 ZINC000516071408 387450237 /nfs/dbraw/zinc/45/02/37/387450237.db2.gz JUSBALOHGSODND-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000336618007 387458240 /nfs/dbraw/zinc/45/82/40/387458240.db2.gz UKHVLKVWLYVVJL-LLVKDONJSA-N 1 2 242.319 2.565 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000336618007 387458244 /nfs/dbraw/zinc/45/82/44/387458244.db2.gz UKHVLKVWLYVVJL-LLVKDONJSA-N 1 2 242.319 2.565 20 0 BFADLO Cc1nc(N(C)Cc2cccc(F)c2)cc[nH+]1 ZINC000361159189 387403263 /nfs/dbraw/zinc/40/32/63/387403263.db2.gz JBDUHFOCOZOFSD-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO CCC[C@H]([NH2+]CCc1ccccc1)C(=O)OCC ZINC000083381192 387407106 /nfs/dbraw/zinc/40/71/06/387407106.db2.gz YHTQMMCLZVMYNA-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)nn1C ZINC000361593826 387507883 /nfs/dbraw/zinc/50/78/83/387507883.db2.gz JQWYIMUHUPIUNX-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccc(C)cc3C2)nn1C ZINC000361593826 387507887 /nfs/dbraw/zinc/50/78/87/387507887.db2.gz JQWYIMUHUPIUNX-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO CCCc1noc(C[N@@H+]2CCC(C)=C(C)C2)n1 ZINC000361619563 387510904 /nfs/dbraw/zinc/51/09/04/387510904.db2.gz NINDBBJXTDQXHM-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO CCCc1noc(C[N@H+]2CCC(C)=C(C)C2)n1 ZINC000361619563 387510906 /nfs/dbraw/zinc/51/09/06/387510906.db2.gz NINDBBJXTDQXHM-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO c1csc(-c2nc(Cn3cc[nH+]c3)co2)c1 ZINC000122508744 387543783 /nfs/dbraw/zinc/54/37/83/387543783.db2.gz KEEAHYVQKZHPNZ-UHFFFAOYSA-N 1 2 231.280 2.648 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)CC(C)(C)C ZINC000355397572 387532013 /nfs/dbraw/zinc/53/20/13/387532013.db2.gz DGRHRKATIXMRMF-JTQLQIEISA-N 1 2 234.343 2.823 20 0 BFADLO CC[C@@H](Cn1c[nH+]c2cc(F)c(F)cc21)OC ZINC000397000780 387532335 /nfs/dbraw/zinc/53/23/35/387532335.db2.gz FDDIGUUKRAJBLJ-QMMMGPOBSA-N 1 2 240.253 2.740 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@H+](Cc2ccon2)C1 ZINC000374537543 387464596 /nfs/dbraw/zinc/46/45/96/387464596.db2.gz NGMXMTVAGASDMK-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@@H+](Cc2ccon2)C1 ZINC000374537543 387464602 /nfs/dbraw/zinc/46/46/02/387464602.db2.gz NGMXMTVAGASDMK-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO CC(C)(C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336629730 387482985 /nfs/dbraw/zinc/48/29/85/387482985.db2.gz RVTSRBZJNXNBNK-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CC[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(F)F ZINC000648619304 387583228 /nfs/dbraw/zinc/58/32/28/387583228.db2.gz RBTZBWJVWABHJS-SECBINFHSA-N 1 2 239.269 2.696 20 0 BFADLO c1ccc(NCCCOC2CCCC2)[nH+]c1 ZINC000299394536 387593460 /nfs/dbraw/zinc/59/34/60/387593460.db2.gz QSAOVBNFWUZKFG-UHFFFAOYSA-N 1 2 220.316 2.843 20 0 BFADLO COC1(C)C[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000362313815 387594652 /nfs/dbraw/zinc/59/46/52/387594652.db2.gz XADKWPYZPTWLAR-PWSUYJOCSA-N 1 2 235.327 2.624 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(SC)cc2)C1 ZINC000362313625 387594903 /nfs/dbraw/zinc/59/49/03/387594903.db2.gz VRJSATKPJCLJID-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO COC1(C)C[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000362313813 387594964 /nfs/dbraw/zinc/59/49/64/387594964.db2.gz XADKWPYZPTWLAR-CMPLNLGQSA-N 1 2 235.327 2.624 20 0 BFADLO c1ccc([N@H+](CC2CC2)C[C@H]2CCOC2)cc1 ZINC000362322923 387596369 /nfs/dbraw/zinc/59/63/69/387596369.db2.gz POEMQWJLWJUTNJ-CQSZACIVSA-N 1 2 231.339 2.940 20 0 BFADLO c1ccc([N@@H+](CC2CC2)C[C@H]2CCOC2)cc1 ZINC000362322923 387596373 /nfs/dbraw/zinc/59/63/73/387596373.db2.gz POEMQWJLWJUTNJ-CQSZACIVSA-N 1 2 231.339 2.940 20 0 BFADLO Cc1ccc(Cc2noc(-c3ccco3)n2)c[nH+]1 ZINC000356178737 387624417 /nfs/dbraw/zinc/62/44/17/387624417.db2.gz VUKUUFSMSYHFQF-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000361863298 387547700 /nfs/dbraw/zinc/54/77/00/387547700.db2.gz UYGPUZWGPXQPII-GXFFZTMASA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](C)(F)C1 ZINC000361863298 387547704 /nfs/dbraw/zinc/54/77/04/387547704.db2.gz UYGPUZWGPXQPII-GXFFZTMASA-N 1 2 245.338 2.541 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cscn2)o1 ZINC000040421143 387549988 /nfs/dbraw/zinc/54/99/88/387549988.db2.gz JLCDLMNHMKORRK-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO c1cnn(-c2ccc([NH2+]CC3CC3)cc2)c1 ZINC000036977993 387558312 /nfs/dbraw/zinc/55/83/12/387558312.db2.gz PTFYWNVHTFESSD-UHFFFAOYSA-N 1 2 213.284 2.694 20 0 BFADLO CCCc1csc(C[N@H+](C)CCOCC)n1 ZINC000426365794 387560385 /nfs/dbraw/zinc/56/03/85/387560385.db2.gz NPENIMLEVAVMAR-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CCCc1csc(C[N@@H+](C)CCOCC)n1 ZINC000426365794 387560391 /nfs/dbraw/zinc/56/03/91/387560391.db2.gz NPENIMLEVAVMAR-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO C[C@@H]1C[C@H]1Nc1nc2ccccc2n2c[nH+]cc12 ZINC000623934403 387563913 /nfs/dbraw/zinc/56/39/13/387563913.db2.gz RDDGGRAUHXUKHL-MWLCHTKSSA-N 1 2 238.294 2.703 20 0 BFADLO CCC[C@](C)(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355821129 387579954 /nfs/dbraw/zinc/57/99/54/387579954.db2.gz ARQCLUDYUYDWBC-ZDUSSCGKSA-N 1 2 237.347 2.585 20 0 BFADLO Cc1cn[nH]c1C[N@H+](Cc1cccnc1)C(C)C ZINC000356311938 387642893 /nfs/dbraw/zinc/64/28/93/387642893.db2.gz WXBOVXHVNBVNHX-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](Cc1cccnc1)C(C)C ZINC000356311938 387642897 /nfs/dbraw/zinc/64/28/97/387642897.db2.gz WXBOVXHVNBVNHX-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1c[nH]nc1C[N@H+](Cc1cccnc1)C(C)C ZINC000356311938 387642899 /nfs/dbraw/zinc/64/28/99/387642899.db2.gz WXBOVXHVNBVNHX-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000356311938 387642901 /nfs/dbraw/zinc/64/29/01/387642901.db2.gz WXBOVXHVNBVNHX-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO CN(C)c1ccc(NC[C@@H]2CC=CCC2)[nH+]c1 ZINC000125078589 387643871 /nfs/dbraw/zinc/64/38/71/387643871.db2.gz LCZIIJJOYDXHIN-GFCCVEGCSA-N 1 2 231.343 2.916 20 0 BFADLO CCc1cc(C)c(C(=O)Nc2cc[nH+]cc2O)o1 ZINC000125124801 387644492 /nfs/dbraw/zinc/64/44/92/387644492.db2.gz BARIMSWXVJSGFN-UHFFFAOYSA-N 1 2 246.266 2.503 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527689071 387653137 /nfs/dbraw/zinc/65/31/37/387653137.db2.gz VOFSIAAAEZQNBJ-USWWRNFRSA-N 1 2 232.327 2.937 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000440708921 387679194 /nfs/dbraw/zinc/67/91/94/387679194.db2.gz AWLQJHJFADUTBK-KBPBESRZSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@H](F)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000440708921 387679202 /nfs/dbraw/zinc/67/92/02/387679202.db2.gz AWLQJHJFADUTBK-KBPBESRZSA-N 1 2 237.318 2.808 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)C[C@H](C)C1 ZINC000527824006 387745413 /nfs/dbraw/zinc/74/54/13/387745413.db2.gz XNZHMNCNNFBCFC-PHIMTYICSA-N 1 2 220.316 2.573 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]C/C=C/c2ccccc2)n1 ZINC000356914746 387747184 /nfs/dbraw/zinc/74/71/84/387747184.db2.gz JDDRFAJJVYKZTA-OALRPVAKSA-N 1 2 243.310 2.742 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cn1 ZINC000356707795 387706532 /nfs/dbraw/zinc/70/65/32/387706532.db2.gz YZWKDJHFJRAGFR-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@H]1C ZINC000431412956 387707450 /nfs/dbraw/zinc/70/74/50/387707450.db2.gz AFJIBQPGABQTTH-NXEZZACHSA-N 1 2 247.317 2.805 20 0 BFADLO C[C@@H]1CC[C@@H]([NH+]=c2[nH]c3ccc(F)cc3n2C)C1 ZINC000431422978 387707502 /nfs/dbraw/zinc/70/75/02/387707502.db2.gz RTEMKEBCUOUMNR-MWLCHTKSSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CCC[C@@H]1[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431411160 387708528 /nfs/dbraw/zinc/70/85/28/387708528.db2.gz WTOVEQUXYWZRRW-KOLCDFICSA-N 1 2 247.317 2.735 20 0 BFADLO CCCCN(c1cc(C)[nH+]cn1)C1CC1 ZINC000356756940 387715524 /nfs/dbraw/zinc/71/55/24/387715524.db2.gz JNAZSDAGIQEVRJ-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1ccc(NCc2cccc3c2OCO3)c[nH+]1 ZINC000128028703 387735634 /nfs/dbraw/zinc/73/56/34/387735634.db2.gz UWSWDDLVFPCMLY-UHFFFAOYSA-N 1 2 242.278 2.731 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)n1 ZINC000356892904 387742411 /nfs/dbraw/zinc/74/24/11/387742411.db2.gz KFXGBBLGTSCQKC-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1ccc(C)c(CNc2cccc(CO)[nH+]2)c1 ZINC000432744648 387812004 /nfs/dbraw/zinc/81/20/04/387812004.db2.gz LMBCXENLRRMJHR-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO C[C@@H]([NH2+]CCF)c1cc(-c2ccccc2)n(C)n1 ZINC000527892995 387776630 /nfs/dbraw/zinc/77/66/30/387776630.db2.gz JJLUTOULHXPKNX-LLVKDONJSA-N 1 2 247.317 2.707 20 0 BFADLO COC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527897717 387777459 /nfs/dbraw/zinc/77/74/59/387777459.db2.gz AIQVZOFTKLDEEX-GFCCVEGCSA-N 1 2 242.322 2.708 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C(C)C)C1 ZINC000527919511 387788513 /nfs/dbraw/zinc/78/85/13/387788513.db2.gz SBROPIVSBSYWLF-LLVKDONJSA-N 1 2 220.316 2.573 20 0 BFADLO CC(C)CCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332455 387804116 /nfs/dbraw/zinc/80/41/16/387804116.db2.gz MSMQOUBXTWHPPS-UHFFFAOYSA-N 1 2 249.358 2.984 20 0 BFADLO CC(C)C[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336598 387807006 /nfs/dbraw/zinc/80/70/06/387807006.db2.gz WEKDXYOCEXRIKL-LLVKDONJSA-N 1 2 249.358 2.840 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccnc2)o1 ZINC000356971752 387757659 /nfs/dbraw/zinc/75/76/59/387757659.db2.gz BMSGQGUVBVGUAN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccnc2)o1 ZINC000356971752 387757665 /nfs/dbraw/zinc/75/76/65/387757665.db2.gz BMSGQGUVBVGUAN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C/C=C\C[C@@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000432914477 387842258 /nfs/dbraw/zinc/84/22/58/387842258.db2.gz IKXMTQYSZWDHAK-PKXJPQMGSA-N 1 2 247.338 2.674 20 0 BFADLO CC[C@H](NC(=O)C[C@@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000442806559 387843377 /nfs/dbraw/zinc/84/33/77/387843377.db2.gz CFALJPNOISAYKB-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442799982 387844238 /nfs/dbraw/zinc/84/42/38/387844238.db2.gz JJQPYVGWWSLCTQ-VWYCJHECSA-N 1 2 237.347 2.659 20 0 BFADLO CCC(CC)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000442802061 387844813 /nfs/dbraw/zinc/84/48/13/387844813.db2.gz QINZDTQVRCJUNS-LLVKDONJSA-N 1 2 237.347 2.803 20 0 BFADLO CC(C)[C@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882009 387855485 /nfs/dbraw/zinc/85/54/85/387855485.db2.gz CDYMTHATJNEZNU-SECBINFHSA-N 1 2 247.264 2.659 20 0 BFADLO CC(C)[C@H]1CC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882009 387855492 /nfs/dbraw/zinc/85/54/92/387855492.db2.gz CDYMTHATJNEZNU-SECBINFHSA-N 1 2 247.264 2.659 20 0 BFADLO Cc1cc[nH+]c(NCC23CC(C2)CO3)c1Cl ZINC000528184522 387874778 /nfs/dbraw/zinc/87/47/78/387874778.db2.gz KMPFLZNTBHICLX-UHFFFAOYSA-N 1 2 238.718 2.634 20 0 BFADLO Fc1ccc2[nH+]c(NCc3ccco3)[nH]c2c1 ZINC000236190451 387876599 /nfs/dbraw/zinc/87/65/99/387876599.db2.gz LNFGASQEXDXULI-UHFFFAOYSA-N 1 2 231.230 2.907 20 0 BFADLO CCOC1(C)CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000450576441 387876929 /nfs/dbraw/zinc/87/69/29/387876929.db2.gz ACKCUJKCPAYDOF-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc(COc2coc(C)cc2=O)c(C)[nH+]1 ZINC000194691672 387889436 /nfs/dbraw/zinc/88/94/36/387889436.db2.gz LXNJJHFBCMXHBK-UHFFFAOYSA-N 1 2 245.278 2.539 20 0 BFADLO CC[C@H]1C[C@H](C[NH2+][C@H](C)C(F)(F)F)CCO1 ZINC000424187029 387902832 /nfs/dbraw/zinc/90/28/32/387902832.db2.gz ULUXLBSAXIWJPF-BBBLOLIVSA-N 1 2 239.281 2.732 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528352835 387905421 /nfs/dbraw/zinc/90/54/21/387905421.db2.gz FTKZGHXCHDFUBU-GULOHRGCSA-N 1 2 239.750 2.732 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000528352835 387905423 /nfs/dbraw/zinc/90/54/23/387905423.db2.gz FTKZGHXCHDFUBU-GULOHRGCSA-N 1 2 239.750 2.732 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1C[C@H]1C ZINC000424313697 387965919 /nfs/dbraw/zinc/96/59/19/387965919.db2.gz BJGZDGMOZYBJQW-XGEHTFHBSA-N 1 2 209.255 2.961 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccccc1CC ZINC000445812604 387970458 /nfs/dbraw/zinc/97/04/58/387970458.db2.gz XJJWGLIEVSUKFU-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1CC ZINC000445812604 387970461 /nfs/dbraw/zinc/97/04/61/387970461.db2.gz XJJWGLIEVSUKFU-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CC[C@H](C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000453061946 387976943 /nfs/dbraw/zinc/97/69/43/387976943.db2.gz UBMGZEOCSCQPAV-CMPLNLGQSA-N 1 2 236.363 2.814 20 0 BFADLO Cc1cc[nH+]c(NCCF)c1Br ZINC000306383403 387991972 /nfs/dbraw/zinc/99/19/72/387991972.db2.gz YHUPXSPLQARWRT-UHFFFAOYSA-N 1 2 233.084 2.534 20 0 BFADLO COC[C@H](Nc1ccc2c(c1)CC[NH2+]2)C(C)C ZINC000423210402 387994754 /nfs/dbraw/zinc/99/47/54/387994754.db2.gz GDGIJFNJOPGFQX-AWEZNQCLSA-N 1 2 234.343 2.738 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc[nH]n2)[C@@H](c2ccco2)C1 ZINC000245776827 387983313 /nfs/dbraw/zinc/98/33/13/387983313.db2.gz SVIRIGYKORXGLH-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)[C@@H](c2ccco2)C1 ZINC000245776827 387983316 /nfs/dbraw/zinc/98/33/16/387983316.db2.gz SVIRIGYKORXGLH-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO COCC1CCC(Nc2cccc[nH+]2)CC1 ZINC000453174763 388003221 /nfs/dbraw/zinc/00/32/21/388003221.db2.gz KCLOBODRRQIYBJ-UHFFFAOYSA-N 1 2 220.316 2.699 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000246066632 388006135 /nfs/dbraw/zinc/00/61/35/388006135.db2.gz YWJIZZAIBQFXEG-MNOVXSKESA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC000246066632 388006140 /nfs/dbraw/zinc/00/61/40/388006140.db2.gz YWJIZZAIBQFXEG-MNOVXSKESA-N 1 2 237.347 2.500 20 0 BFADLO C[C@H](Cc1ccoc1)[NH2+]C1(C(F)F)CC1 ZINC000453210438 388011765 /nfs/dbraw/zinc/01/17/65/388011765.db2.gz JTOSRWKITDKDGU-MRVPVSSYSA-N 1 2 215.243 2.598 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)C(F)F ZINC000453229465 388017094 /nfs/dbraw/zinc/01/70/94/388017094.db2.gz DCPITRXVAJKLPL-BXKDBHETSA-N 1 2 243.297 2.873 20 0 BFADLO Cc1cc(NC(=O)c2cccc(F)c2F)cc[nH+]1 ZINC000082271090 388020425 /nfs/dbraw/zinc/02/04/25/388020425.db2.gz HBYKDPCZLFZTIX-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccno1 ZINC000533289228 388044348 /nfs/dbraw/zinc/04/43/48/388044348.db2.gz APZMYEQPZLHVOF-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccno1 ZINC000533289228 388044352 /nfs/dbraw/zinc/04/43/52/388044352.db2.gz APZMYEQPZLHVOF-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)C(F)F ZINC000453254885 388026722 /nfs/dbraw/zinc/02/67/22/388026722.db2.gz YNHYBGZYLGJFIR-SCZZXKLOSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)c(Cl)c1 ZINC000447129995 388053990 /nfs/dbraw/zinc/05/39/90/388053990.db2.gz XCGYSCLQROFANG-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)c(Cl)c1 ZINC000447129995 388053994 /nfs/dbraw/zinc/05/39/94/388053994.db2.gz XCGYSCLQROFANG-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO COc1cccnc1C[NH2+][C@@H](C)c1ccco1 ZINC000453373595 388063160 /nfs/dbraw/zinc/06/31/60/388063160.db2.gz SLXOLAKYIFBKRO-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO FC(F)(F)[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000336657704 388073321 /nfs/dbraw/zinc/07/33/21/388073321.db2.gz PTYZTWUAKUQDFF-SECBINFHSA-N 1 2 207.239 2.860 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ccoc1C ZINC000055053060 388073466 /nfs/dbraw/zinc/07/34/66/388073466.db2.gz JKALIZCGYWEDBI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccoc1C ZINC000055053060 388073470 /nfs/dbraw/zinc/07/34/70/388073470.db2.gz JKALIZCGYWEDBI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO CC[C@H](F)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336657734 388073743 /nfs/dbraw/zinc/07/37/43/388073743.db2.gz PUPLOSLENFAJHI-APPZFPTMSA-N 1 2 216.325 2.850 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2csnn2)CC1 ZINC000645981002 388115038 /nfs/dbraw/zinc/11/50/38/388115038.db2.gz ZXFXONZMLXHUTM-UHFFFAOYSA-N 1 2 245.351 2.625 20 0 BFADLO CC[N@H+](CCC(C)(C)O)c1ccccc1C ZINC000086233866 388100853 /nfs/dbraw/zinc/10/08/53/388100853.db2.gz NATWLBWDOIFFGZ-UHFFFAOYSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC(C)(C)O)c1ccccc1C ZINC000086233866 388100859 /nfs/dbraw/zinc/10/08/59/388100859.db2.gz NATWLBWDOIFFGZ-UHFFFAOYSA-N 1 2 221.344 2.982 20 0 BFADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1nccs1 ZINC000086510420 388104440 /nfs/dbraw/zinc/10/44/40/388104440.db2.gz ODRURUQXOMJNKC-ZYHUDNBSSA-N 1 2 248.351 2.527 20 0 BFADLO CCCCN(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000455539293 388162328 /nfs/dbraw/zinc/16/23/28/388162328.db2.gz DRMROFIBFZKBTK-UHFFFAOYSA-N 1 2 249.358 2.640 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1F ZINC000449255698 388163226 /nfs/dbraw/zinc/16/32/26/388163226.db2.gz GFFPAXHZWQBFGQ-CQSZACIVSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1F ZINC000449255698 388163229 /nfs/dbraw/zinc/16/32/29/388163229.db2.gz GFFPAXHZWQBFGQ-CQSZACIVSA-N 1 2 249.329 2.745 20 0 BFADLO CCn1cc[nH+]c1CN(C)[C@H](C)c1ccco1 ZINC000195515384 388165462 /nfs/dbraw/zinc/16/54/62/388165462.db2.gz HTTNLDUAFPAICV-LLVKDONJSA-N 1 2 233.315 2.689 20 0 BFADLO FCC(CF)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000449378929 388187921 /nfs/dbraw/zinc/18/79/21/388187921.db2.gz GQZXTHJMIZSTDR-UPHRSURJSA-N 1 2 247.235 2.875 20 0 BFADLO Cc1cccc(C[N@@H+](C(C)C)C2COC2)c1F ZINC000449351574 388179049 /nfs/dbraw/zinc/17/90/49/388179049.db2.gz PTEFXAHYEYFWAD-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@H+](C(C)C)C2COC2)c1F ZINC000449351574 388179050 /nfs/dbraw/zinc/17/90/50/388179050.db2.gz PTEFXAHYEYFWAD-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(OC)c(F)c1)C(F)F ZINC000449356735 388180793 /nfs/dbraw/zinc/18/07/93/388180793.db2.gz ARVKUYMYSTZJEB-JTQLQIEISA-N 1 2 247.260 2.968 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(O)cc(F)c1)C(F)F ZINC000449360141 388181559 /nfs/dbraw/zinc/18/15/59/388181559.db2.gz IXHLZYGKEOHTBW-JTQLQIEISA-N 1 2 233.233 2.665 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccs1)C(F)F ZINC000449358344 388181788 /nfs/dbraw/zinc/18/17/88/388181788.db2.gz FPBJYQKURRAOCD-MRVPVSSYSA-N 1 2 205.273 2.881 20 0 BFADLO CC[C@H]([NH2+]Cc1cccs1)C(F)F ZINC000449358345 388181885 /nfs/dbraw/zinc/18/18/85/388181885.db2.gz FPBJYQKURRAOCD-QMMMGPOBSA-N 1 2 205.273 2.881 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccc1OC)C(F)F ZINC000449364178 388182010 /nfs/dbraw/zinc/18/20/10/388182010.db2.gz RHDLKKUMGRZGLS-SNVBAGLBSA-N 1 2 229.270 2.829 20 0 BFADLO CCc1ccc(C[NH2+][C@H](CC)C(F)F)cn1 ZINC000449363037 388182497 /nfs/dbraw/zinc/18/24/97/388182497.db2.gz OPFOJDZGWSLNCX-LLVKDONJSA-N 1 2 228.286 2.777 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(OC)c1)C(F)F ZINC000449365919 388182933 /nfs/dbraw/zinc/18/29/33/388182933.db2.gz XNANVBYDYQMJHD-LLVKDONJSA-N 1 2 229.270 2.829 20 0 BFADLO Cc1ccc(C[NH2+]C(CF)CF)cc1C ZINC000449373612 388184998 /nfs/dbraw/zinc/18/49/98/388184998.db2.gz SLVPRVMXAWPZPJ-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO CCc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449372250 388185122 /nfs/dbraw/zinc/18/51/22/388185122.db2.gz FBDZKSVOQBCAGS-UHFFFAOYSA-N 1 2 213.271 2.646 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2ccccc2o1 ZINC000449373589 388185327 /nfs/dbraw/zinc/18/53/27/388185327.db2.gz SBWLQXPQIOKQIA-UHFFFAOYSA-N 1 2 225.238 2.830 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)C2CCC2)cc[nH+]1 ZINC000448959742 388122882 /nfs/dbraw/zinc/12/28/82/388122882.db2.gz AGMKHEWWONHMNS-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(NC(=O)CCCC(C)C)cc[nH+]1 ZINC000448963775 388123481 /nfs/dbraw/zinc/12/34/81/388123481.db2.gz XLNRVUACWPHQRI-UHFFFAOYSA-N 1 2 220.316 2.577 20 0 BFADLO Cc1nc([C@H](C)[N@H+](C)CCC(C)(C)C)no1 ZINC000646028618 388127985 /nfs/dbraw/zinc/12/79/85/388127985.db2.gz KPNANISOFBOZCH-VIFPVBQESA-N 1 2 225.336 2.807 20 0 BFADLO Cc1nc([C@H](C)[N@@H+](C)CCC(C)(C)C)no1 ZINC000646028618 388127987 /nfs/dbraw/zinc/12/79/87/388127987.db2.gz KPNANISOFBOZCH-VIFPVBQESA-N 1 2 225.336 2.807 20 0 BFADLO Cc1nocc1C[N@H+](C)Cc1ccsc1 ZINC000646048946 388132568 /nfs/dbraw/zinc/13/25/68/388132568.db2.gz QXXLNRLIJRUHMQ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1nocc1C[N@@H+](C)Cc1ccsc1 ZINC000646048946 388132570 /nfs/dbraw/zinc/13/25/70/388132570.db2.gz QXXLNRLIJRUHMQ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCc1ccc(NCc2[nH]cc[nH+]2)cc1OC ZINC000449647720 388248799 /nfs/dbraw/zinc/24/87/99/388248799.db2.gz DXHWPXVMRHZQLP-UHFFFAOYSA-N 1 2 231.299 2.593 20 0 BFADLO CCc1cnc(C[NH2+]Cc2ccoc2)s1 ZINC000164904006 388248991 /nfs/dbraw/zinc/24/89/91/388248991.db2.gz JMJHXTJEERRLLQ-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO Cc1cccc(C)c1C[NH2+]C(CF)CF ZINC000449381840 388188842 /nfs/dbraw/zinc/18/88/42/388188842.db2.gz TXGTVDJMEUDKDC-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO COc1ccc(C[NH2+]C(CF)CF)cc1Cl ZINC000449382003 388189158 /nfs/dbraw/zinc/18/91/58/388189158.db2.gz UNKWUHYAZOYNDY-UHFFFAOYSA-N 1 2 249.688 2.746 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000449384601 388189695 /nfs/dbraw/zinc/18/96/95/388189695.db2.gz CDIPWBPRBFVKKK-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000449384601 388189698 /nfs/dbraw/zinc/18/96/98/388189698.db2.gz CDIPWBPRBFVKKK-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388835 388192307 /nfs/dbraw/zinc/19/23/07/388192307.db2.gz QKRZYMLCKAPVGW-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388835 388192308 /nfs/dbraw/zinc/19/23/08/388192308.db2.gz QKRZYMLCKAPVGW-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCC1CCC1 ZINC000456343564 388195652 /nfs/dbraw/zinc/19/56/52/388195652.db2.gz FOIONMZVLKYWQE-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1=CCCCC1 ZINC000456353485 388196742 /nfs/dbraw/zinc/19/67/42/388196742.db2.gz MOQJKSVHMCIMER-LLVKDONJSA-N 1 2 247.342 2.581 20 0 BFADLO CC[C@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456353897 388196983 /nfs/dbraw/zinc/19/69/83/388196983.db2.gz MWHWUOQJIOCYTR-WDEREUQCSA-N 1 2 237.347 2.516 20 0 BFADLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456366064 388197878 /nfs/dbraw/zinc/19/78/78/388197878.db2.gz GSGUNMDTBQYRSC-IJLUTSLNSA-N 1 2 249.358 2.687 20 0 BFADLO CCC(CC)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456383763 388198651 /nfs/dbraw/zinc/19/86/51/388198651.db2.gz LPDLNNXOGBSMTP-SNVBAGLBSA-N 1 2 237.347 2.516 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456401541 388199153 /nfs/dbraw/zinc/19/91/53/388199153.db2.gz VSJYDBFPOVKWNK-SRVKXCTJSA-N 1 2 249.358 2.831 20 0 BFADLO CCC[C@@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456402102 388199425 /nfs/dbraw/zinc/19/94/25/388199425.db2.gz VWOXNYXWNPNJSJ-GHMZBOCLSA-N 1 2 237.347 2.516 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456418617 388200001 /nfs/dbraw/zinc/20/00/01/388200001.db2.gz LIYJQZPDIYVRRI-SDDRHHMPSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(CC)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456424241 388200262 /nfs/dbraw/zinc/20/02/62/388200262.db2.gz PILMCHGYDJXQDC-CMPLNLGQSA-N 1 2 249.358 2.831 20 0 BFADLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456443173 388202161 /nfs/dbraw/zinc/20/21/61/388202161.db2.gz ZZVGXCIDDJLGIQ-QJPTWQEYSA-N 1 2 249.358 2.687 20 0 BFADLO CCC[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456852755 388228478 /nfs/dbraw/zinc/22/84/78/388228478.db2.gz XIZQFAZTNTYWDQ-JTQLQIEISA-N 1 2 234.343 2.751 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000449562812 388232968 /nfs/dbraw/zinc/23/29/68/388232968.db2.gz OGFROODNVWCTEA-NSHDSACASA-N 1 2 233.315 2.655 20 0 BFADLO CCc1ncc(C[NH2+]Cc2cc(C)ccc2F)o1 ZINC000449609644 388242089 /nfs/dbraw/zinc/24/20/89/388242089.db2.gz NZNIUICLUUKBMM-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459577453 388246412 /nfs/dbraw/zinc/24/64/12/388246412.db2.gz WCYHPBZQAOPMST-UNXYVOJBSA-N 1 2 241.375 2.741 20 0 BFADLO CCc1ccc(NCc2c[nH+]cn2C)cc1OC ZINC000449648034 388248329 /nfs/dbraw/zinc/24/83/29/388248329.db2.gz FMIXIVGRSCSILO-UHFFFAOYSA-N 1 2 245.326 2.603 20 0 BFADLO C/C=C/C=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491448231 388295103 /nfs/dbraw/zinc/29/51/03/388295103.db2.gz IMGLPIYEJLNHCN-VNKDHWASSA-N 1 2 241.294 2.714 20 0 BFADLO C[C@H](O)C[N@H+](CCCC(C)(C)C)CC(F)F ZINC000451846963 388300705 /nfs/dbraw/zinc/30/07/05/388300705.db2.gz ZDAAKSMFGREUKO-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO C[C@H](O)C[N@@H+](CCCC(C)(C)C)CC(F)F ZINC000451846963 388300707 /nfs/dbraw/zinc/30/07/07/388300707.db2.gz ZDAAKSMFGREUKO-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO C[C@@H](O)C[N@H+](CCC1CCCC1)CC(F)F ZINC000451855302 388301161 /nfs/dbraw/zinc/30/11/61/388301161.db2.gz RTWSHEIVWUGYGX-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H](O)C[N@@H+](CCC1CCCC1)CC(F)F ZINC000451855302 388301163 /nfs/dbraw/zinc/30/11/63/388301163.db2.gz RTWSHEIVWUGYGX-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccn2)c(C)s1 ZINC000451363668 388265117 /nfs/dbraw/zinc/26/51/17/388265117.db2.gz BXGVCCCYOSMPAW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccn2)c(C)s1 ZINC000451363668 388265118 /nfs/dbraw/zinc/26/51/18/388265118.db2.gz BXGVCCCYOSMPAW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCOC[C@H](Nc1cccc[nH+]1)C(C)C ZINC000233799553 388348997 /nfs/dbraw/zinc/34/89/97/388348997.db2.gz NCONACDUQBUDCL-NSHDSACASA-N 1 2 208.305 2.555 20 0 BFADLO C[C@@H]1C[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000277045196 388352841 /nfs/dbraw/zinc/35/28/41/388352841.db2.gz GGBOPXYSURSZQP-ZJUUUORDSA-N 1 2 213.284 2.698 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000648721395 388353105 /nfs/dbraw/zinc/35/31/05/388353105.db2.gz XDRDKUMLXDAMDL-HOSYDEDBSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000648721395 388353108 /nfs/dbraw/zinc/35/31/08/388353108.db2.gz XDRDKUMLXDAMDL-HOSYDEDBSA-N 1 2 223.291 2.947 20 0 BFADLO Cl/C=C(\Cl)C[N@@H+]1CCCSCC1 ZINC000270502204 388356439 /nfs/dbraw/zinc/35/64/39/388356439.db2.gz BVZLTXLMQCNIGH-VURMDHGXSA-N 1 2 226.172 2.744 20 0 BFADLO Cl/C=C(\Cl)C[N@H+]1CCCSCC1 ZINC000270502204 388356442 /nfs/dbraw/zinc/35/64/42/388356442.db2.gz BVZLTXLMQCNIGH-VURMDHGXSA-N 1 2 226.172 2.744 20 0 BFADLO C[C@]1(O)CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000163560173 388364726 /nfs/dbraw/zinc/36/47/26/388364726.db2.gz AFPQVJKBXIHRLI-HNNXBMFYSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)Cc1ccccc1 ZINC000516605705 388385384 /nfs/dbraw/zinc/38/53/84/388385384.db2.gz QLQVHFOKSNBCHQ-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2CCOC2(C)C)cc1 ZINC000293991731 388394001 /nfs/dbraw/zinc/39/40/01/388394001.db2.gz BZXDGCDVIBRGJQ-CYBMUJFWSA-N 1 2 234.343 2.732 20 0 BFADLO Clc1ccc(C[NH2+]Cc2cocn2)s1 ZINC000237744518 388398315 /nfs/dbraw/zinc/39/83/15/388398315.db2.gz LYKNXHHGHXKPAT-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)O1 ZINC000294637094 388402099 /nfs/dbraw/zinc/40/20/99/388402099.db2.gz ATBVNBYROHZDDC-UHIISALHSA-N 1 2 234.343 2.730 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)[C@H](C)O1 ZINC000294637084 388402506 /nfs/dbraw/zinc/40/25/06/388402506.db2.gz ATBVNBYROHZDDC-SUNKGSAMSA-N 1 2 234.343 2.730 20 0 BFADLO Cc1ccc(NC(=O)/C=C\C2CC2)c(C)[nH+]1 ZINC000492072380 388333745 /nfs/dbraw/zinc/33/37/45/388333745.db2.gz INVWMSGHBVTAPJ-VURMDHGXSA-N 1 2 216.284 2.603 20 0 BFADLO C/C=C/C=C\C(=O)Nc1ccc(C)[nH+]c1C ZINC000492114285 388335317 /nfs/dbraw/zinc/33/53/17/388335317.db2.gz ZNMYBASTFTUZFO-DEQVHDEQSA-N 1 2 216.284 2.769 20 0 BFADLO FC(F)O[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000336910181 388442607 /nfs/dbraw/zinc/44/26/07/388442607.db2.gz IDHUMIYTVLLLJO-RKDXNWHRSA-N 1 2 228.242 2.654 20 0 BFADLO CC(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000074829944 388462322 /nfs/dbraw/zinc/46/23/22/388462322.db2.gz AAOWBXCGBSPLNR-UHFFFAOYSA-N 1 2 229.283 2.671 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000528518517 388541569 /nfs/dbraw/zinc/54/15/69/388541569.db2.gz GOJXPFZUJGBBRM-DJTWPOEFSA-N 1 2 229.751 2.630 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000528518517 388541570 /nfs/dbraw/zinc/54/15/70/388541570.db2.gz GOJXPFZUJGBBRM-DJTWPOEFSA-N 1 2 229.751 2.630 20 0 BFADLO CCC[C@@H](C)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079721830 388545679 /nfs/dbraw/zinc/54/56/79/388545679.db2.gz IPKZEKPNCQQQNR-LLVKDONJSA-N 1 2 249.358 2.547 20 0 BFADLO Cc1ncc(C[NH2+]Cc2cc(F)ccc2F)o1 ZINC000397870689 388507561 /nfs/dbraw/zinc/50/75/61/388507561.db2.gz IBXCUTHKIOHQSZ-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)CS1 ZINC000397881782 388509305 /nfs/dbraw/zinc/50/93/05/388509305.db2.gz ZCRJDTPBIFREDZ-CMPLNLGQSA-N 1 2 244.363 2.963 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccco1 ZINC000345351972 388511970 /nfs/dbraw/zinc/51/19/70/388511970.db2.gz PEIHYKSMFSMLBF-VWYCJHECSA-N 1 2 231.299 2.833 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C)o2)o1 ZINC000398049282 388515422 /nfs/dbraw/zinc/51/54/22/388515422.db2.gz DUSPJSKTPBDTGZ-VIFPVBQESA-N 1 2 220.272 2.735 20 0 BFADLO CCc1nc(C(C)(C)[NH2+]C/C=C(/C)Cl)no1 ZINC000528489770 388533532 /nfs/dbraw/zinc/53/35/32/388533532.db2.gz GDWQBEJDOVNUDH-VURMDHGXSA-N 1 2 243.738 2.599 20 0 BFADLO CO[C@@]1(C)C[C@@H](Nc2nc(C)[nH+]cc2C)C1(C)C ZINC000517040991 388536018 /nfs/dbraw/zinc/53/60/18/388536018.db2.gz AOYFPNRZSQCNOZ-RISCZKNCSA-N 1 2 249.358 2.709 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548425411 388536796 /nfs/dbraw/zinc/53/67/96/388536796.db2.gz GVXJACVYOVTWOP-KXUCPTDWSA-N 1 2 240.372 2.833 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548425411 388536799 /nfs/dbraw/zinc/53/67/99/388536799.db2.gz GVXJACVYOVTWOP-KXUCPTDWSA-N 1 2 240.372 2.833 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cc2cnccc2o1 ZINC000623679045 388613975 /nfs/dbraw/zinc/61/39/75/388613975.db2.gz GRCDTVVJIXJAGO-UHFFFAOYSA-N 1 2 240.253 2.963 20 0 BFADLO CC(C)c1nc(NCC2CC(C)(C)C2)cc[nH+]1 ZINC000548692841 388552953 /nfs/dbraw/zinc/55/29/53/388552953.db2.gz GDQNOZLAYKJXBH-UHFFFAOYSA-N 1 2 233.359 2.870 20 0 BFADLO C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137600 388563416 /nfs/dbraw/zinc/56/34/16/388563416.db2.gz WOHNCLQBQHJTPR-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cnc(C[N@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528763650 388569554 /nfs/dbraw/zinc/56/95/54/388569554.db2.gz AIXYIVJABYYSRP-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528763650 388569558 /nfs/dbraw/zinc/56/95/58/388569558.db2.gz AIXYIVJABYYSRP-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528769151 388570494 /nfs/dbraw/zinc/57/04/94/388570494.db2.gz RCNOUJQDYXFHJF-VIFPVBQESA-N 1 2 244.285 2.857 20 0 BFADLO CCc1cnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528769151 388570495 /nfs/dbraw/zinc/57/04/95/388570495.db2.gz RCNOUJQDYXFHJF-VIFPVBQESA-N 1 2 244.285 2.857 20 0 BFADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1ncccc1F ZINC000528823215 388576364 /nfs/dbraw/zinc/57/63/64/388576364.db2.gz DSQHOGZQZHIIFT-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2nccs2)n1 ZINC000083143301 388632636 /nfs/dbraw/zinc/63/26/36/388632636.db2.gz AGCIAOWGXAWVLU-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc(CNc2ccc(C)[nH+]c2)nc1 ZINC000128085328 388737956 /nfs/dbraw/zinc/73/79/56/388737956.db2.gz PDDCOQJNJLGENW-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ncccc2F)o1 ZINC000126336590 388693788 /nfs/dbraw/zinc/69/37/88/388693788.db2.gz OAOCABGTIPATFK-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO C[C@H](c1ccccc1F)[NH+]1CCN(C2CC2)CC1 ZINC000065684146 388697408 /nfs/dbraw/zinc/69/74/08/388697408.db2.gz PQPMSHLSSOVMAW-GFCCVEGCSA-N 1 2 248.345 2.667 20 0 BFADLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(C2CC2)CC1 ZINC000195216081 388701477 /nfs/dbraw/zinc/70/14/77/388701477.db2.gz UMEJSYJELXXVQZ-GFCCVEGCSA-N 1 2 248.345 2.667 20 0 BFADLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C2CC2)CC1 ZINC000195216126 388701519 /nfs/dbraw/zinc/70/15/19/388701519.db2.gz JHAAKBQGSCZRKC-GFCCVEGCSA-N 1 2 248.345 2.667 20 0 BFADLO Cc1cc(N[C@H]2CC[C@H](C)CC2)nc[nH+]1 ZINC000252950937 388795051 /nfs/dbraw/zinc/79/50/51/388795051.db2.gz DLZUFPAJFPZQNX-HOMQSWHASA-N 1 2 205.305 2.776 20 0 BFADLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccoc2)[nH]1 ZINC000540147357 388796192 /nfs/dbraw/zinc/79/61/92/388796192.db2.gz RMLZPNSSEMEPIM-UWVGGRQHSA-N 1 2 248.330 2.933 20 0 BFADLO Cc1ccsc1[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000069636824 388853057 /nfs/dbraw/zinc/85/30/57/388853057.db2.gz WYVYQXFNLZIBKV-VIFPVBQESA-N 1 2 221.329 2.630 20 0 BFADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000069636822 388853765 /nfs/dbraw/zinc/85/37/65/388853765.db2.gz WYVYQXFNLZIBKV-SECBINFHSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)o1 ZINC000541646177 388861882 /nfs/dbraw/zinc/86/18/82/388861882.db2.gz ZASYRKHUYRXOAV-LLVKDONJSA-N 1 2 248.330 2.611 20 0 BFADLO Cc1cccc(C[N@@H+]2Cc3cccnc3C2)c1 ZINC000556087184 388866864 /nfs/dbraw/zinc/86/68/64/388866864.db2.gz MLCYEPCQXORZBU-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1cccc(C[N@H+]2Cc3cccnc3C2)c1 ZINC000556087184 388866865 /nfs/dbraw/zinc/86/68/65/388866865.db2.gz MLCYEPCQXORZBU-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1nnsc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000556112958 388867835 /nfs/dbraw/zinc/86/78/35/388867835.db2.gz HVOFECIJBGJVIY-VIFPVBQESA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnsc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000556112958 388867836 /nfs/dbraw/zinc/86/78/36/388867836.db2.gz HVOFECIJBGJVIY-VIFPVBQESA-N 1 2 237.328 2.633 20 0 BFADLO CCOc1cc(C[NH2+]CC(C)(F)F)ccc1O ZINC000564710875 388886099 /nfs/dbraw/zinc/88/60/99/388886099.db2.gz LHLKPYLVIGDVMY-UHFFFAOYSA-N 1 2 245.269 2.536 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C)c(C)c[nH+]1 ZINC000564867642 388896499 /nfs/dbraw/zinc/89/64/99/388896499.db2.gz IVJLRUGSFOHQFR-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H](F)C2)[nH+]1 ZINC000565654938 388960419 /nfs/dbraw/zinc/96/04/19/388960419.db2.gz NJDBHZSQNFGAFH-ZJUUUORDSA-N 1 2 248.305 2.959 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncon2)cs1 ZINC000565873477 388973945 /nfs/dbraw/zinc/97/39/45/388973945.db2.gz KZSNOENAQIMWLU-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ncon2)cs1 ZINC000565873477 388973949 /nfs/dbraw/zinc/97/39/49/388973949.db2.gz KZSNOENAQIMWLU-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO CCCC(O)(CCC)CNc1cccc[nH+]1 ZINC000265624536 388992827 /nfs/dbraw/zinc/99/28/27/388992827.db2.gz YUPXCAUMXBDFAW-UHFFFAOYSA-N 1 2 222.332 2.825 20 0 BFADLO CC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265402466 388992889 /nfs/dbraw/zinc/99/28/89/388992889.db2.gz YMAQLVSDNPXZKQ-MRVPVSSYSA-N 1 2 205.305 2.873 20 0 BFADLO CSC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265467141 388993451 /nfs/dbraw/zinc/99/34/51/388993451.db2.gz BQPAKEKJGRGCOE-SECBINFHSA-N 1 2 237.372 2.826 20 0 BFADLO CO[C@@H](C)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000267424964 389000591 /nfs/dbraw/zinc/00/05/91/389000591.db2.gz VGPQLNLDCSSZCX-QMMMGPOBSA-N 1 2 248.248 2.937 20 0 BFADLO CO[C@H](C)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000267424963 389000792 /nfs/dbraw/zinc/00/07/92/389000792.db2.gz VGPQLNLDCSSZCX-MRVPVSSYSA-N 1 2 248.248 2.937 20 0 BFADLO Cc1ccc(Cl)c(OCc2c[nH+]cn2C)c1 ZINC000267769396 389000864 /nfs/dbraw/zinc/00/08/64/389000864.db2.gz KTTQALKHSDNRAL-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO C[C@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000267961139 389001718 /nfs/dbraw/zinc/00/17/18/389001718.db2.gz LBKMCPWMUOMEAT-VIFPVBQESA-N 1 2 213.284 2.840 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000530484843 322815492 /nfs/dbraw/zinc/81/54/92/322815492.db2.gz DVVKJNVNWJPYTO-AOOOYVTPSA-N 1 2 231.343 2.651 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)/C=C/C(C)(C)C)c2[nH+]ccn21 ZINC000493449783 533593922 /nfs/dbraw/zinc/59/39/22/533593922.db2.gz HMNFJSXMNRSNBF-XIJCSBCJSA-N 1 2 247.342 2.607 20 0 BFADLO Cc1cc(CNC(=O)/C=C/C(C)(C)C)cc(C)[nH+]1 ZINC000493795446 533639695 /nfs/dbraw/zinc/63/96/95/533639695.db2.gz UBINLGCTYHMPSC-VOTSOKGWSA-N 1 2 246.354 2.917 20 0 BFADLO C[C@@H]1[C@@H](C)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000266197775 132185258 /nfs/dbraw/zinc/18/52/58/132185258.db2.gz CWDNSJGSWJXGMH-WDEREUQCSA-N 1 2 231.343 2.979 20 0 BFADLO c1cc(N2CCC[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000288216161 132216242 /nfs/dbraw/zinc/21/62/42/132216242.db2.gz MCHNWBYHNPFNRM-ZDUSSCGKSA-N 1 2 243.354 2.980 20 0 BFADLO c1nc(N2CCCCC2)cc(NCC2CCC2)[nH+]1 ZINC000340902322 132225712 /nfs/dbraw/zinc/22/57/12/132225712.db2.gz PLPXFPMIUXZPED-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCC2CCC2)cc(N2CCCCC2)[nH+]1 ZINC000340902322 132225713 /nfs/dbraw/zinc/22/57/13/132225713.db2.gz PLPXFPMIUXZPED-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC(C)(C)C2)[nH+]1 ZINC000341504507 132226395 /nfs/dbraw/zinc/22/63/95/132226395.db2.gz HKUNUTWZYVMUNX-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO Cc1nc(N2CCC[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000301590833 132254785 /nfs/dbraw/zinc/25/47/85/132254785.db2.gz XYFVQVOFZAMKKB-LLVKDONJSA-N 1 2 245.370 2.900 20 0 BFADLO CC[C@H]1COCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000301681298 132256196 /nfs/dbraw/zinc/25/61/96/132256196.db2.gz VDALBSDDIZLVTE-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@H](C)[C@H]2C)nc[nH+]1 ZINC000302675761 132265431 /nfs/dbraw/zinc/26/54/31/132265431.db2.gz MQTXQZRKFKJCFV-JFGNBEQYSA-N 1 2 219.332 2.656 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC(C)(C)CC2)[nH+]1 ZINC000354803297 132270276 /nfs/dbraw/zinc/27/02/76/132270276.db2.gz JKFRLKQCXSVPKA-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO C[C@@H]1C[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000357313694 132273470 /nfs/dbraw/zinc/27/34/70/132273470.db2.gz KWEACAKZJTUNMS-NEPJUHHUSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@@H]1C[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000357313694 132273471 /nfs/dbraw/zinc/27/34/71/132273471.db2.gz KWEACAKZJTUNMS-NEPJUHHUSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000357313697 132273573 /nfs/dbraw/zinc/27/35/73/132273573.db2.gz KWEACAKZJTUNMS-VXGBXAGGSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000357313697 132273575 /nfs/dbraw/zinc/27/35/75/132273575.db2.gz KWEACAKZJTUNMS-VXGBXAGGSA-N 1 2 246.358 2.535 20 0 BFADLO CCCCC[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360595729 132278930 /nfs/dbraw/zinc/27/89/30/132278930.db2.gz LIULJUZLGADBME-UHFFFAOYSA-N 1 2 246.354 2.525 20 0 BFADLO CCCCC[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000360595729 132278933 /nfs/dbraw/zinc/27/89/33/132278933.db2.gz LIULJUZLGADBME-UHFFFAOYSA-N 1 2 246.354 2.525 20 0 BFADLO Cc1cnc(NCc2cn3ccccc3[nH+]2)s1 ZINC000351992861 134032124 /nfs/dbraw/zinc/03/21/24/134032124.db2.gz GRSUOXVGZYGECO-UHFFFAOYSA-N 1 2 244.323 2.711 20 0 BFADLO C[C@@H]1COCC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000336069808 134071416 /nfs/dbraw/zinc/07/14/16/134071416.db2.gz UGLQGSOZCGGMSG-BXUZGUMPSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@H]1CC[N@H+](C[C@H]2CCCCO2)CC1(F)F ZINC000336104938 134084626 /nfs/dbraw/zinc/08/46/26/134084626.db2.gz HEJBUNQWRLUNRC-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)CC1(F)F ZINC000336104938 134084627 /nfs/dbraw/zinc/08/46/27/134084627.db2.gz HEJBUNQWRLUNRC-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1nc(N2CCSC(C)(C)CC2)cc[nH+]1 ZINC000336137457 134096304 /nfs/dbraw/zinc/09/63/04/134096304.db2.gz ZVIMJQPMVXETLO-UHFFFAOYSA-N 1 2 237.372 2.507 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000176622541 134292965 /nfs/dbraw/zinc/29/29/65/134292965.db2.gz POSKPBWMRRZYHU-OLZOCXBDSA-N 1 2 244.338 2.991 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)ccc1Cl ZINC000180419179 134327203 /nfs/dbraw/zinc/32/72/03/134327203.db2.gz WHTSUXODIZXHRN-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@@H](C)C2)ccc1Cl ZINC000180419179 134327204 /nfs/dbraw/zinc/32/72/04/134327204.db2.gz WHTSUXODIZXHRN-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO CC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccc(C)cc1 ZINC000181069840 134333265 /nfs/dbraw/zinc/33/32/65/134333265.db2.gz QTTDMDYVEWTAEZ-CYBMUJFWSA-N 1 2 245.326 2.927 20 0 BFADLO Cc1ccc(CNc2cccc(CO)c2)c(C)[nH+]1 ZINC000184464765 134364381 /nfs/dbraw/zinc/36/43/81/134364381.db2.gz QIYCHFNUQHQSBM-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1ccc(COc2cccc(CO)c2)c(C)[nH+]1 ZINC000185376702 134377165 /nfs/dbraw/zinc/37/71/65/134377165.db2.gz DCKPDDCZUVVFMK-UHFFFAOYSA-N 1 2 243.306 2.770 20 0 BFADLO FC(F)(C[NH2+]Cc1cccnc1)c1ccccc1 ZINC000227898812 134398147 /nfs/dbraw/zinc/39/81/47/134398147.db2.gz ATMPYDIMKSXDPU-UHFFFAOYSA-N 1 2 248.276 2.963 20 0 BFADLO FC(F)(C[NH2+][C@H]1CCCOC1)c1ccccc1 ZINC000227901842 134398469 /nfs/dbraw/zinc/39/84/69/134398469.db2.gz LKBHGTSTXYZWKW-LBPRGKRZSA-N 1 2 241.281 2.547 20 0 BFADLO C[C@H]1OCC[C@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000227903600 134398518 /nfs/dbraw/zinc/39/85/18/134398518.db2.gz GLFMSMGGIGCCAN-ZYHUDNBSSA-N 1 2 241.281 2.545 20 0 BFADLO CC(C)c1nc(C[N@H+]([C@@H](C)C2CC2)C2CC2)no1 ZINC000053608047 134744834 /nfs/dbraw/zinc/74/48/34/134744834.db2.gz MLQLFNAIIFLORL-JTQLQIEISA-N 1 2 249.358 2.956 20 0 BFADLO CC(C)c1nc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)no1 ZINC000053608047 134744836 /nfs/dbraw/zinc/74/48/36/134744836.db2.gz MLQLFNAIIFLORL-JTQLQIEISA-N 1 2 249.358 2.956 20 0 BFADLO COc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1F ZINC000159907517 134794434 /nfs/dbraw/zinc/79/44/34/134794434.db2.gz OQRICIJRUPUEHQ-SECBINFHSA-N 1 2 249.289 2.741 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCC1CCCCC1 ZINC000070979380 134927583 /nfs/dbraw/zinc/92/75/83/134927583.db2.gz HWBXCQNZZHXWIF-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2cncs2)n1 ZINC000070732774 135010332 /nfs/dbraw/zinc/01/03/32/135010332.db2.gz VHIBWWXJFOESAH-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1ccc(NCc2ccncc2)c(C)[nH+]1 ZINC000087151839 135107997 /nfs/dbraw/zinc/10/79/97/135107997.db2.gz VQXACXFSHLIUKI-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)[C@H](C)C1 ZINC000078465595 135124867 /nfs/dbraw/zinc/12/48/67/135124867.db2.gz SQQXVYLDLXGXOT-HLTSFMKQSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC000253603710 135127729 /nfs/dbraw/zinc/12/77/29/135127729.db2.gz KNYAMFAOFHHTJX-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC000253603710 135127730 /nfs/dbraw/zinc/12/77/30/135127730.db2.gz KNYAMFAOFHHTJX-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cc(C)ccc2F)n1 ZINC000342452947 135275974 /nfs/dbraw/zinc/27/59/74/135275974.db2.gz SQGSUZQSVRBIAA-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccccc2C)n1C ZINC000342796850 135320971 /nfs/dbraw/zinc/32/09/71/135320971.db2.gz BPPOIUDSUHLIQM-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2C)n1C ZINC000342796850 135320973 /nfs/dbraw/zinc/32/09/73/135320973.db2.gz BPPOIUDSUHLIQM-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1c[nH+]c(CN(C)Cc2ccccc2C)n1C ZINC000342796850 135320974 /nfs/dbraw/zinc/32/09/74/135320974.db2.gz BPPOIUDSUHLIQM-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1c[nH+]c(CN2C[C@H](C)c3ccccc32)n1C ZINC000342770747 135327868 /nfs/dbraw/zinc/32/78/68/135327868.db2.gz ZOOGJURNEFODPW-NSHDSACASA-N 1 2 241.338 2.852 20 0 BFADLO Cc1cc(C)c(NC(=O)c2cncs2)c(C)[nH+]1 ZINC000334310039 135350904 /nfs/dbraw/zinc/35/09/04/135350904.db2.gz IXDQKOQZRDSBNW-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1nnc(C[N@@H+]2CC[C@H]2c2ccccc2)s1 ZINC000334344423 135365103 /nfs/dbraw/zinc/36/51/03/135365103.db2.gz SMOWQOPHPLJVKD-LBPRGKRZSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1nnc(C[N@H+]2CC[C@H]2c2ccccc2)s1 ZINC000334344423 135365104 /nfs/dbraw/zinc/36/51/04/135365104.db2.gz SMOWQOPHPLJVKD-LBPRGKRZSA-N 1 2 245.351 2.794 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343152974 135366782 /nfs/dbraw/zinc/36/67/82/135366782.db2.gz JFNJHVULIOFCHY-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343152974 135366783 /nfs/dbraw/zinc/36/67/83/135366783.db2.gz JFNJHVULIOFCHY-NWDGAFQWSA-N 1 2 246.358 2.677 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000334381522 135379297 /nfs/dbraw/zinc/37/92/97/135379297.db2.gz JNJQOHRELLFJMG-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000334381522 135379298 /nfs/dbraw/zinc/37/92/98/135379298.db2.gz JNJQOHRELLFJMG-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000334381521 135379464 /nfs/dbraw/zinc/37/94/64/135379464.db2.gz JNJQOHRELLFJMG-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000334381521 135379465 /nfs/dbraw/zinc/37/94/65/135379465.db2.gz JNJQOHRELLFJMG-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)CO1 ZINC000335441249 135413235 /nfs/dbraw/zinc/41/32/35/135413235.db2.gz RNBIDGXJHSPYSD-VXNVDRBHSA-N 1 2 246.232 2.690 20 0 BFADLO CCc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000084205136 135466172 /nfs/dbraw/zinc/46/61/72/135466172.db2.gz FMYQPDZYFBWAAF-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2CC(C)(F)C2)[nH+]1 ZINC000334780591 135810783 /nfs/dbraw/zinc/81/07/83/135810783.db2.gz OVXNMCBQWGSZMX-UHFFFAOYSA-N 1 2 234.278 2.569 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCO1 ZINC000335052659 135874542 /nfs/dbraw/zinc/87/45/42/135874542.db2.gz FMPMRTNLMSCRGV-QMTHXVAHSA-N 1 2 232.327 2.634 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](C[C@H]1CCCO1)C2 ZINC000335160166 135923439 /nfs/dbraw/zinc/92/34/39/135923439.db2.gz RFQAIMYXWWJHLV-CYBMUJFWSA-N 1 2 237.730 2.835 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](C[C@H]1CCCO1)C2 ZINC000335160166 135923440 /nfs/dbraw/zinc/92/34/40/135923440.db2.gz RFQAIMYXWWJHLV-CYBMUJFWSA-N 1 2 237.730 2.835 20 0 BFADLO CC(C)n1cc(C[N@H+](C)[C@H](C)c2ccco2)nn1 ZINC000347659804 136002543 /nfs/dbraw/zinc/00/25/43/136002543.db2.gz XLYRXHNGRSFZBI-LLVKDONJSA-N 1 2 248.330 2.645 20 0 BFADLO CC(C)n1cc(C[N@@H+](C)[C@H](C)c2ccco2)nn1 ZINC000347659804 136002544 /nfs/dbraw/zinc/00/25/44/136002544.db2.gz XLYRXHNGRSFZBI-LLVKDONJSA-N 1 2 248.330 2.645 20 0 BFADLO CSC1(C[N@H+](CC(F)F)C2CC2)CC1 ZINC000347801355 136012989 /nfs/dbraw/zinc/01/29/89/136012989.db2.gz DGTHJPLWBOICTM-UHFFFAOYSA-N 1 2 221.316 2.612 20 0 BFADLO CSC1(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC000347801355 136012990 /nfs/dbraw/zinc/01/29/90/136012990.db2.gz DGTHJPLWBOICTM-UHFFFAOYSA-N 1 2 221.316 2.612 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)n(C)n2)c(C)o1 ZINC000348093419 136035852 /nfs/dbraw/zinc/03/58/52/136035852.db2.gz CDXPEDAKCRPYNA-LLVKDONJSA-N 1 2 247.342 2.789 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)CC1(C)C ZINC000335371602 136083747 /nfs/dbraw/zinc/08/37/47/136083747.db2.gz DMCPESCMCXWONM-SNVBAGLBSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)CC1(C)C ZINC000335371602 136083748 /nfs/dbraw/zinc/08/37/48/136083748.db2.gz DMCPESCMCXWONM-SNVBAGLBSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1c[nH]cc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335392649 136091365 /nfs/dbraw/zinc/09/13/65/136091365.db2.gz LUNSIGISKDPMTJ-UHFFFAOYSA-N 1 2 229.283 2.587 20 0 BFADLO Cc1cc(C)c(NC(=O)NC[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000335584934 136101644 /nfs/dbraw/zinc/10/16/44/136101644.db2.gz YHUMNEHYDGWSJI-QPUJVOFHSA-N 1 2 247.342 2.784 20 0 BFADLO Cc1cc(C)c(NC(=O)NC2CCC2)c(C)[nH+]1 ZINC000335588145 136102190 /nfs/dbraw/zinc/10/21/90/136102190.db2.gz GROAPVHGZNJJNR-UHFFFAOYSA-N 1 2 233.315 2.681 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000348668730 136115998 /nfs/dbraw/zinc/11/59/98/136115998.db2.gz DUFABVLSUMPIQX-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc3c(cccc3F)[nH]2)CCO1 ZINC000348668730 136115999 /nfs/dbraw/zinc/11/59/99/136115999.db2.gz DUFABVLSUMPIQX-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000440490251 397927802 /nfs/dbraw/zinc/92/78/02/397927802.db2.gz QQYLYNKCKQCSOL-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@H](F)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000440490251 397927805 /nfs/dbraw/zinc/92/78/05/397927805.db2.gz QQYLYNKCKQCSOL-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCN(CCSC)c1nc(C)[nH+]c(C)c1C ZINC000591998939 397938446 /nfs/dbraw/zinc/93/84/46/397938446.db2.gz AKPSJMYAUUEDJI-UHFFFAOYSA-N 1 2 239.388 2.591 20 0 BFADLO c1csc(C2([NH2+]Cc3cocn3)CCCC2)n1 ZINC000192314729 397893660 /nfs/dbraw/zinc/89/36/60/397893660.db2.gz KGLVFIXMWBHYSX-UHFFFAOYSA-N 1 2 249.339 2.690 20 0 BFADLO CC[C@@H](C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364837702 397915681 /nfs/dbraw/zinc/91/56/81/397915681.db2.gz HGHSWCMSAICPNO-DGCLKSJQSA-N 1 2 244.342 2.530 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccc2c1CCC2 ZINC000650238235 398001973 /nfs/dbraw/zinc/00/19/73/398001973.db2.gz PKDQPFBEKZSMNL-UHFFFAOYSA-N 1 2 242.297 2.743 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121003913 398002208 /nfs/dbraw/zinc/00/22/08/398002208.db2.gz WEYXTMVSINLBLT-CYBMUJFWSA-N 1 2 221.300 2.619 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121003913 398002210 /nfs/dbraw/zinc/00/22/10/398002210.db2.gz WEYXTMVSINLBLT-CYBMUJFWSA-N 1 2 221.300 2.619 20 0 BFADLO CCc1cc[nH+]cc1NCc1conc1C ZINC000650243048 398004868 /nfs/dbraw/zinc/00/48/68/398004868.db2.gz IKDIEKPPDARWKW-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1cc[nH+]cc1NCc1nc(C)ccc1O ZINC000650243053 398005073 /nfs/dbraw/zinc/00/50/73/398005073.db2.gz IMXKKGIYCQQOBD-UHFFFAOYSA-N 1 2 243.310 2.665 20 0 BFADLO CC1(C)Cc2cc(CNc3c[nH]c[nH+]3)ccc2O1 ZINC000555900172 398022704 /nfs/dbraw/zinc/02/27/04/398022704.db2.gz IPXOFSDNXCOUAO-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO FC(F)(F)C[NH2+][C@H]1CC2CCC1CC2 ZINC000307427313 398048316 /nfs/dbraw/zinc/04/83/16/398048316.db2.gz SAFYMHUJZQEIRA-HACHORDNSA-N 1 2 207.239 2.717 20 0 BFADLO CCCOc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000582637558 398041648 /nfs/dbraw/zinc/04/16/48/398041648.db2.gz DFZASNXZMHVNGB-UHFFFAOYSA-N 1 2 231.299 2.811 20 0 BFADLO Cc1cccn2c(/C=C\c3ccncn3)c[nH+]c12 ZINC000255133678 398042366 /nfs/dbraw/zinc/04/23/66/398042366.db2.gz NKJZLPCKTQVTNZ-PLNGDYQASA-N 1 2 236.278 2.603 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2CCCC(F)(F)C2)O1 ZINC000649695470 398043709 /nfs/dbraw/zinc/04/37/09/398043709.db2.gz WJEAPEZFZRIBDV-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2CCCC(F)(F)C2)O1 ZINC000649695470 398043712 /nfs/dbraw/zinc/04/37/12/398043712.db2.gz WJEAPEZFZRIBDV-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO FC1(F)CCC[N@H+](CC2=CCCC2)C1 ZINC000649695747 398043768 /nfs/dbraw/zinc/04/37/68/398043768.db2.gz HMWUDRRNTYYOPZ-UHFFFAOYSA-N 1 2 201.260 2.828 20 0 BFADLO FC1(F)CCC[N@@H+](CC2=CCCC2)C1 ZINC000649695747 398043772 /nfs/dbraw/zinc/04/37/72/398043772.db2.gz HMWUDRRNTYYOPZ-UHFFFAOYSA-N 1 2 201.260 2.828 20 0 BFADLO FC1(F)CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000649695663 398043931 /nfs/dbraw/zinc/04/39/31/398043931.db2.gz DILOGJBWUVUIAA-NSHDSACASA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000649695663 398043933 /nfs/dbraw/zinc/04/39/33/398043933.db2.gz DILOGJBWUVUIAA-NSHDSACASA-N 1 2 233.302 2.534 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CCCC(F)(F)C1 ZINC000649695363 398044027 /nfs/dbraw/zinc/04/40/27/398044027.db2.gz SNVOJKGITZYMLU-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CCCC(F)(F)C1 ZINC000649695363 398044033 /nfs/dbraw/zinc/04/40/33/398044033.db2.gz SNVOJKGITZYMLU-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO Cc1occc1CNc1c[nH+]ccc1C ZINC000321681375 398060031 /nfs/dbraw/zinc/06/00/31/398060031.db2.gz ZFPHOLQEEJBFCZ-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2nccs2)[C@H](CC)CO1 ZINC000649718580 398060557 /nfs/dbraw/zinc/06/05/57/398060557.db2.gz BSKLQXNDVGMKBD-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2nccs2)[C@H](CC)CO1 ZINC000649718580 398060560 /nfs/dbraw/zinc/06/05/60/398060560.db2.gz BSKLQXNDVGMKBD-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CCCCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283505461 398074925 /nfs/dbraw/zinc/07/49/25/398074925.db2.gz PFYYVQMYPNYIFV-IDVQTMNDSA-N 1 2 249.358 2.898 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC1(C)C ZINC000287085770 398082225 /nfs/dbraw/zinc/08/22/25/398082225.db2.gz MIYFMMXEHLUHMV-NSHDSACASA-N 1 2 233.315 2.700 20 0 BFADLO FC[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000334408237 398089578 /nfs/dbraw/zinc/08/95/78/398089578.db2.gz RQMFNZNQUJSSHD-SECBINFHSA-N 1 2 219.263 2.501 20 0 BFADLO CCC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC000649819024 398121589 /nfs/dbraw/zinc/12/15/89/398121589.db2.gz JCGSKIWRNNRIGN-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cccc(C)c1C ZINC000292810288 398109662 /nfs/dbraw/zinc/10/96/62/398109662.db2.gz OQUHDCGDTKKWRO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1cccc(C)c1C ZINC000292810288 398109665 /nfs/dbraw/zinc/10/96/65/398109665.db2.gz OQUHDCGDTKKWRO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO CC[C@@H]1CC[C@H](C)N(c2cc(CO)cc[nH+]2)C1 ZINC000310243078 398130448 /nfs/dbraw/zinc/13/04/48/398130448.db2.gz MDPDNSOBDNQZBU-NWDGAFQWSA-N 1 2 234.343 2.589 20 0 BFADLO Cc1[nH+]cccc1Cn1cc(C2CC2)cn1 ZINC000650344915 398134267 /nfs/dbraw/zinc/13/42/67/398134267.db2.gz GLSXNAWJVBRJFW-UHFFFAOYSA-N 1 2 213.284 2.512 20 0 BFADLO CC(C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982249 167148287 /nfs/dbraw/zinc/14/82/87/167148287.db2.gz LXUOQFZZTGWHJN-UHFFFAOYSA-N 1 2 205.305 2.502 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000672702256 487580055 /nfs/dbraw/zinc/58/00/55/487580055.db2.gz XLUIKNQGXGHEEG-YPMHNXCESA-N 1 2 245.326 2.715 20 0 BFADLO CCc1cnc(C[NH2+][C@H](C)c2c(C)noc2C)o1 ZINC000680381266 487580230 /nfs/dbraw/zinc/58/02/30/487580230.db2.gz BCBASKLOOLUMFR-MRVPVSSYSA-N 1 2 249.314 2.693 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1CC12CC2 ZINC000669390969 487596535 /nfs/dbraw/zinc/59/65/35/487596535.db2.gz PYCMLIAHQUJIPB-LLVKDONJSA-N 1 2 245.326 2.620 20 0 BFADLO COCc1ccc(SCc2c[nH+]cn2C)cc1 ZINC000674646951 487601100 /nfs/dbraw/zinc/60/11/00/487601100.db2.gz RPQBFRWTJGZLJW-UHFFFAOYSA-N 1 2 248.351 2.859 20 0 BFADLO Cc1nc(NCC2(O)CCC(C)(C)CC2)cc[nH+]1 ZINC000087066989 487602241 /nfs/dbraw/zinc/60/22/41/487602241.db2.gz URPLIZBSMGVNLU-UHFFFAOYSA-N 1 2 249.358 2.528 20 0 BFADLO CC(C)Oc1cc[nH+]cc1COC(=O)C(C)C ZINC000287028855 167311911 /nfs/dbraw/zinc/31/19/11/167311911.db2.gz RIWGMQBAJXTHPK-UHFFFAOYSA-N 1 2 237.299 2.568 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662412658 487603048 /nfs/dbraw/zinc/60/30/48/487603048.db2.gz RRQXVIAVFFVGOI-ZYHUDNBSSA-N 1 2 247.342 2.819 20 0 BFADLO C[C@@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000674746668 487609114 /nfs/dbraw/zinc/60/91/14/487609114.db2.gz CUDXJWPPPYPKCZ-JTQLQIEISA-N 1 2 227.311 2.510 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)Cn1cccn1 ZINC000651971703 409942307 /nfs/dbraw/zinc/94/23/07/409942307.db2.gz RASHXMXVEZWADE-SNVBAGLBSA-N 1 2 248.355 2.501 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)[C@H]1CCOC1 ZINC000651971530 409943891 /nfs/dbraw/zinc/94/38/91/409943891.db2.gz JDVMRGSBNLMCTN-UWVGGRQHSA-N 1 2 238.356 2.640 20 0 BFADLO CCc1cc[nH+]cc1NC[C@H]1CCSC1 ZINC000651979920 410114476 /nfs/dbraw/zinc/11/44/76/410114476.db2.gz QRDJASGLWHFCSG-SNVBAGLBSA-N 1 2 222.357 2.809 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1cnc[nH]1 ZINC000661084046 410135695 /nfs/dbraw/zinc/13/56/95/410135695.db2.gz ABWWOBLHNDILJG-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1cnc[nH]1 ZINC000661084046 410135699 /nfs/dbraw/zinc/13/56/99/410135699.db2.gz ABWWOBLHNDILJG-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000655403527 410207809 /nfs/dbraw/zinc/20/78/09/410207809.db2.gz VVNKGZPFHYZIBQ-VHSXEESVSA-N 1 2 237.347 2.659 20 0 BFADLO c1cc(N[C@]23C[C@H]2CCC3)nc(C2CC2)[nH+]1 ZINC000664161365 410470452 /nfs/dbraw/zinc/47/04/52/410470452.db2.gz NNBPOSOSWGYQGC-ZWNOBZJWSA-N 1 2 215.300 2.709 20 0 BFADLO CC(C)c1cc(N[C@H]2C[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000664643047 410614078 /nfs/dbraw/zinc/61/40/78/410614078.db2.gz NEHQMWZKBLPCRI-XYPYZODXSA-N 1 2 249.358 2.659 20 0 BFADLO Cn1cc[nH+]c1CN1CC[C@H]1c1ccc(F)cc1 ZINC000661505843 410716103 /nfs/dbraw/zinc/71/61/03/410716103.db2.gz BTVHJHPZCGCARG-ZDUSSCGKSA-N 1 2 245.301 2.506 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2nnc(C)o2)c1 ZINC000661529047 410730274 /nfs/dbraw/zinc/73/02/74/410730274.db2.gz ITNPEXSNUGEGHQ-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2nnc(C)o2)c1 ZINC000661529047 410730281 /nfs/dbraw/zinc/73/02/81/410730281.db2.gz ITNPEXSNUGEGHQ-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1ccc(F)cc1C[NH2+]CC(C)(F)F ZINC000393910986 410769618 /nfs/dbraw/zinc/76/96/18/410769618.db2.gz NKSWDVAJBOCCMS-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO CC(C)OCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000114764873 167271780 /nfs/dbraw/zinc/27/17/80/167271780.db2.gz ZTOXBRSOKVNZMH-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO CC(C)Oc1cccc(NCc2c[nH+]cn2C)c1 ZINC000295031294 167306986 /nfs/dbraw/zinc/30/69/86/167306986.db2.gz NXSMCJZTBWEJKC-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CC(C)Oc1ccccc1C[N@H+](C)CCF ZINC000293773618 167310410 /nfs/dbraw/zinc/31/04/10/167310410.db2.gz YSFULJNBFYCSKQ-UHFFFAOYSA-N 1 2 225.307 2.875 20 0 BFADLO CC(C)Oc1ccccc1C[N@@H+](C)CCF ZINC000293773618 167310413 /nfs/dbraw/zinc/31/04/13/167310413.db2.gz YSFULJNBFYCSKQ-UHFFFAOYSA-N 1 2 225.307 2.875 20 0 BFADLO CC(C)Oc1cc[nH+]cc1COC(=O)CC1CC1 ZINC000287101405 167312172 /nfs/dbraw/zinc/31/21/72/167312172.db2.gz WVJWSNIUEKEQDG-UHFFFAOYSA-N 1 2 249.310 2.712 20 0 BFADLO CC(C)[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000266122823 167358636 /nfs/dbraw/zinc/35/86/36/167358636.db2.gz RAIJMNQHRFECQX-NSHDSACASA-N 1 2 245.326 2.955 20 0 BFADLO CC(C)[C@@H](CNc1cccc[nH+]1)c1ccnn1C ZINC000302777082 167398204 /nfs/dbraw/zinc/39/82/04/167398204.db2.gz PEQQYQYOWBVUCQ-GFCCVEGCSA-N 1 2 244.342 2.667 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc([C@@H]2C[C@H]2C)n1 ZINC000651353272 410942154 /nfs/dbraw/zinc/94/21/54/410942154.db2.gz IXXMUUYAGWYRAJ-GHMZBOCLSA-N 1 2 243.310 2.682 20 0 BFADLO CC(C)(CCOCc1[nH]cc[nH+]1)C1CC1 ZINC000655497774 410962492 /nfs/dbraw/zinc/96/24/92/410962492.db2.gz VVUVXFHUZDXFSI-UHFFFAOYSA-N 1 2 208.305 2.753 20 0 BFADLO FC1(F)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000651384754 410967359 /nfs/dbraw/zinc/96/73/59/410967359.db2.gz FLJLAHGSUGRGLF-UHFFFAOYSA-N 1 2 237.253 2.798 20 0 BFADLO FC1(F)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000651385260 410968565 /nfs/dbraw/zinc/96/85/65/410968565.db2.gz ZFZGUVVSUIBPSQ-UHFFFAOYSA-N 1 2 239.269 2.590 20 0 BFADLO FC1(F)CC12CCN(c1cccc[nH+]1)CC2 ZINC000651424666 411013273 /nfs/dbraw/zinc/01/32/73/411013273.db2.gz OHZUQZIAWLMXNG-UHFFFAOYSA-N 1 2 224.254 2.707 20 0 BFADLO CN(CC1CCCCC1)c1cc(CO)cc[nH+]1 ZINC000042494285 411012057 /nfs/dbraw/zinc/01/20/57/411012057.db2.gz MFPDCPAGXLNZNQ-UHFFFAOYSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1C[C@@H](N[C@@H]2CCCC2(F)F)c2[nH+]ccn21 ZINC000398127823 410943909 /nfs/dbraw/zinc/94/39/09/410943909.db2.gz SCBCVSGKBXIFGR-OPRDCNLKSA-N 1 2 241.285 2.666 20 0 BFADLO C[C@H](CCO)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000651471784 411054078 /nfs/dbraw/zinc/05/40/78/411054078.db2.gz DPAJREPOPIZVQT-SNVBAGLBSA-N 1 2 248.301 2.581 20 0 BFADLO FC1=CCC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000651757067 411141085 /nfs/dbraw/zinc/14/10/85/411141085.db2.gz XKZAUCCUQBDRQD-UHFFFAOYSA-N 1 2 232.258 2.887 20 0 BFADLO FC1=CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000651757067 411141086 /nfs/dbraw/zinc/14/10/86/411141086.db2.gz XKZAUCCUQBDRQD-UHFFFAOYSA-N 1 2 232.258 2.887 20 0 BFADLO CC[C@H]([NH2+]Cc1cc2cnccc2o1)C(F)F ZINC000651817921 411145282 /nfs/dbraw/zinc/14/52/82/411145282.db2.gz DJHBEEKAJJUIEC-JTQLQIEISA-N 1 2 240.253 2.961 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000045751982 411148592 /nfs/dbraw/zinc/14/85/92/411148592.db2.gz DDZMMIUEBWQQAM-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000045751982 411148593 /nfs/dbraw/zinc/14/85/93/411148593.db2.gz DDZMMIUEBWQQAM-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000045751983 411148656 /nfs/dbraw/zinc/14/86/56/411148656.db2.gz DDZMMIUEBWQQAM-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000045751983 411148657 /nfs/dbraw/zinc/14/86/57/411148657.db2.gz DDZMMIUEBWQQAM-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO CC(C)c1nc(C[NH+]2CCC(C3CC3)CC2)no1 ZINC000366411531 167662065 /nfs/dbraw/zinc/66/20/65/167662065.db2.gz YVAOCGFVQLAQGP-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)o2)[C@H](C)CO1 ZINC000651931244 411150641 /nfs/dbraw/zinc/15/06/41/411150641.db2.gz OLUQFZVPGGVCNX-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@H](C)CO1 ZINC000651931244 411150642 /nfs/dbraw/zinc/15/06/42/411150642.db2.gz OLUQFZVPGGVCNX-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO COCc1cc[nH+]c(NC2CCCC2)c1 ZINC000652068436 411104756 /nfs/dbraw/zinc/10/47/56/411104756.db2.gz DQSAFXFZSCCDLQ-UHFFFAOYSA-N 1 2 206.289 2.583 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C)C2)c1 ZINC000652068512 411105092 /nfs/dbraw/zinc/10/50/92/411105092.db2.gz FYQSDYDZJKZHOO-ZYHUDNBSSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000652068307 411105124 /nfs/dbraw/zinc/10/51/24/411105124.db2.gz ZHMQSGCJGWJSII-CKYFFXLPSA-N 1 2 220.316 2.684 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCCSC2)c1 ZINC000652068622 411105647 /nfs/dbraw/zinc/10/56/47/411105647.db2.gz JMTRNQGGGLQCNE-LLVKDONJSA-N 1 2 238.356 2.536 20 0 BFADLO COc1ccc[nH+]c1NC1CC(CF)(CF)C1 ZINC000657954188 411180104 /nfs/dbraw/zinc/18/01/04/411180104.db2.gz GAVRDMMVCPESQR-UHFFFAOYSA-N 1 2 242.269 2.590 20 0 BFADLO CCC[C@@H](CC)Nc1nc[nH+]c(C)c1OC ZINC000656112678 411181467 /nfs/dbraw/zinc/18/14/67/411181467.db2.gz HNXCPQFHOIQKFH-SNVBAGLBSA-N 1 2 223.320 2.784 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@H]1CC=CCC1 ZINC000656112484 411181885 /nfs/dbraw/zinc/18/18/85/411181885.db2.gz PJLJCAGDQQGOKH-LBPRGKRZSA-N 1 2 217.316 2.862 20 0 BFADLO COCc1cc[nH+]c(NC(C2CC2)C2CC2)c1 ZINC000652330699 411202334 /nfs/dbraw/zinc/20/23/34/411202334.db2.gz NCLSIEHZQYKRNZ-UHFFFAOYSA-N 1 2 232.327 2.829 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccsc2)co1 ZINC000660484562 411245820 /nfs/dbraw/zinc/24/58/20/411245820.db2.gz QIOBFVDLUARAKY-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1nc(N[C@H](C2CC2)[C@@H]2CCCCO2)cc[nH+]1 ZINC000656209906 411210576 /nfs/dbraw/zinc/21/05/76/411210576.db2.gz YYONFSWIUMYJQJ-GXTWGEPZSA-N 1 2 247.342 2.545 20 0 BFADLO COc1c(C)cccc1CNc1cc(C)[nH+]cn1 ZINC000656212376 411210862 /nfs/dbraw/zinc/21/08/62/411210862.db2.gz DAFCLQPAJSYMPF-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1cnc(CCNc2cccc[nH+]2)c(C)c1 ZINC000656212979 411211604 /nfs/dbraw/zinc/21/16/04/411211604.db2.gz SKMVMCDKRVMUMI-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO CCc1cc(N[C@@H](CC)[C@@H]2CCCCO2)nc[nH+]1 ZINC000656227154 411213394 /nfs/dbraw/zinc/21/33/94/411213394.db2.gz JXFVVUKKOJKPFV-STQMWFEESA-N 1 2 249.358 2.799 20 0 BFADLO Cc1nc(N[C@H]2C[C@H](OC(C)(C)C)C2)cc[nH+]1 ZINC000656222089 411213805 /nfs/dbraw/zinc/21/38/05/411213805.db2.gz HUVMYIMMJZOMTC-XYPYZODXSA-N 1 2 235.331 2.543 20 0 BFADLO FC1(F)CC12C[NH+](Cc1ccc(Cl)o1)C2 ZINC000656265898 411221767 /nfs/dbraw/zinc/22/17/67/411221767.db2.gz MWOJWGUAPHCSMQ-UHFFFAOYSA-N 1 2 233.645 2.774 20 0 BFADLO CCc1ccc(C[NH+]2CC3(CC3(F)F)C2)o1 ZINC000656265525 411221822 /nfs/dbraw/zinc/22/18/22/411221822.db2.gz BDIDITGJKDBXAF-UHFFFAOYSA-N 1 2 227.254 2.683 20 0 BFADLO CC(C)(NC(=O)CC1=CCCCC1)c1[nH]cc[nH+]1 ZINC000652411084 411232341 /nfs/dbraw/zinc/23/23/41/411232341.db2.gz AARISGICGOVZDL-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)CC(C)(C)O2 ZINC000656371542 411236667 /nfs/dbraw/zinc/23/66/67/411236667.db2.gz HBNWGJVEXDJNRA-UHFFFAOYSA-N 1 2 228.295 2.801 20 0 BFADLO C[C@@H]1CC(=O)c2cccc(-c3[nH+]ccn3C)c21 ZINC000656371559 411236672 /nfs/dbraw/zinc/23/66/72/411236672.db2.gz IHDYSVKXWLJVKB-SECBINFHSA-N 1 2 226.279 2.777 20 0 BFADLO Cn1cc[nH+]c1-c1cccc2c1OC(C)(C)C2 ZINC000656371563 411236695 /nfs/dbraw/zinc/23/66/95/411236695.db2.gz IMCTXWCEGHIZRN-UHFFFAOYSA-N 1 2 228.295 2.801 20 0 BFADLO CC[C@@H](NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000423326913 411238706 /nfs/dbraw/zinc/23/87/06/411238706.db2.gz NCMALAFAAXZXJQ-LLVKDONJSA-N 1 2 234.334 2.529 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658151560 411266726 /nfs/dbraw/zinc/26/67/26/411266726.db2.gz JMXIWTXFCNTKRW-VXNVDRBHSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1cc(C)cc(N(C)Cc2ccc(N)[nH+]c2)c1 ZINC000050816616 411267096 /nfs/dbraw/zinc/26/70/96/411267096.db2.gz SDLIDWRJTWMIGV-UHFFFAOYSA-N 1 2 241.338 2.917 20 0 BFADLO FC(F)(F)CC1C[NH+](Cc2cncs2)C1 ZINC000656686467 411329058 /nfs/dbraw/zinc/32/90/58/411329058.db2.gz NVHBDRQTWULAAU-UHFFFAOYSA-N 1 2 236.262 2.527 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C[C@H]1F ZINC000656531886 411289911 /nfs/dbraw/zinc/28/99/11/411289911.db2.gz NRZOSJDNCPJSDS-ZWNOBZJWSA-N 1 2 249.333 2.534 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C[C@H]1F ZINC000656531886 411289913 /nfs/dbraw/zinc/28/99/13/411289913.db2.gz NRZOSJDNCPJSDS-ZWNOBZJWSA-N 1 2 249.333 2.534 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1c[nH+]cc(C)c1)OC ZINC000653469226 411290176 /nfs/dbraw/zinc/29/01/76/411290176.db2.gz RXAJOQKLTGWGRJ-DGCLKSJQSA-N 1 2 222.332 2.863 20 0 BFADLO CCC1(C)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000062955392 411329371 /nfs/dbraw/zinc/32/93/71/411329371.db2.gz OBBCKKISRLLRNH-UHFFFAOYSA-N 1 2 234.343 2.590 20 0 BFADLO Cc1ccc(F)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000656690300 411330682 /nfs/dbraw/zinc/33/06/82/411330682.db2.gz ITBJJOKLGKWUQG-UHFFFAOYSA-N 1 2 229.245 2.831 20 0 BFADLO Cc1nc(C[NH2+][C@@H](c2cccnc2)C2CC2)co1 ZINC000660241898 411304036 /nfs/dbraw/zinc/30/40/36/411304036.db2.gz KADILHFVINSYGT-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO c1csc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000656623038 411311675 /nfs/dbraw/zinc/31/16/75/411311675.db2.gz OXGNEDDGTGRRLT-UHFFFAOYSA-N 1 2 208.330 2.519 20 0 BFADLO COc1ccc(F)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000656692006 411331532 /nfs/dbraw/zinc/33/15/32/411331532.db2.gz VZZFKSNBPLCGOZ-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO C=C/C(C)=C/CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000654011700 411314122 /nfs/dbraw/zinc/31/41/22/411314122.db2.gz FKVMODXJQJYAHK-VDUSXYPOSA-N 1 2 245.326 2.528 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000286592364 167936642 /nfs/dbraw/zinc/93/66/42/167936642.db2.gz ZBBUEISSUNODFG-JTQLQIEISA-N 1 2 217.316 2.955 20 0 BFADLO Cc1ccc(NCc2ccnn2CC2CC2)c[nH+]1 ZINC000656770189 411362762 /nfs/dbraw/zinc/36/27/62/411362762.db2.gz RKMXNAZLUFOURD-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO Cc1ncccc1NCc1[nH+]ccn1C(C)C ZINC000656769658 411363651 /nfs/dbraw/zinc/36/36/51/411363651.db2.gz WQXOJDVRCAOVQP-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO COc1ccc(C(C)C)cc1C[NH+]1CCOCC1 ZINC000653479176 411338766 /nfs/dbraw/zinc/33/87/66/411338766.db2.gz GEQOOXABTQGAQB-UHFFFAOYSA-N 1 2 249.354 2.651 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)o1 ZINC000658335937 411343437 /nfs/dbraw/zinc/34/34/37/411343437.db2.gz JTMSWIDVUSNUHW-GHMZBOCLSA-N 1 2 247.342 2.987 20 0 BFADLO CC1(C)[C@@H](O)C[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000129000968 168001888 /nfs/dbraw/zinc/00/18/88/168001888.db2.gz OUFVWQCIRWDGKO-STQMWFEESA-N 1 2 242.322 2.806 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000276131914 168004897 /nfs/dbraw/zinc/00/48/97/168004897.db2.gz CVJWPUGIQCDZJE-SECBINFHSA-N 1 2 248.248 2.837 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000276131914 168004899 /nfs/dbraw/zinc/00/48/99/168004899.db2.gz CVJWPUGIQCDZJE-SECBINFHSA-N 1 2 248.248 2.837 20 0 BFADLO CC(C)(C)C(F)(F)CN[C@H]1CCn2cc[nH+]c21 ZINC000658339526 411346077 /nfs/dbraw/zinc/34/60/77/411346077.db2.gz SNFFPEGUUBPCQS-VIFPVBQESA-N 1 2 243.301 2.599 20 0 BFADLO CC1(CCNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000359835343 168022769 /nfs/dbraw/zinc/02/27/69/168022769.db2.gz JHMZKHGARYZRJJ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CC1(CCNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000359835343 168022772 /nfs/dbraw/zinc/02/27/72/168022772.db2.gz JHMZKHGARYZRJJ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CC1(CNc2nc(N)c3ccccc3[nH+]2)CCC1 ZINC000301857980 168049424 /nfs/dbraw/zinc/04/94/24/168049424.db2.gz BJNMNDAYOZGKHD-UHFFFAOYSA-N 1 2 242.326 2.814 20 0 BFADLO Cc1cc(NC(=O)N2CCC=C(C)C2)cc[nH+]1 ZINC000280785839 168095207 /nfs/dbraw/zinc/09/52/07/168095207.db2.gz WTLKUNQHPWLYOR-UHFFFAOYSA-N 1 2 231.299 2.574 20 0 BFADLO CC1CCC(C)(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276659682 168150531 /nfs/dbraw/zinc/15/05/31/168150531.db2.gz XXNVYQYAUNIRNG-ONEGZZNKSA-N 1 2 247.342 2.508 20 0 BFADLO CCC(=CC(=O)Nc1c[nH+]ccc1OC)CC ZINC000126581618 168196221 /nfs/dbraw/zinc/19/62/21/168196221.db2.gz VFTIVOODDPYJJD-UHFFFAOYSA-N 1 2 234.299 2.775 20 0 BFADLO CCC(=O)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000135760740 168259541 /nfs/dbraw/zinc/25/95/41/168259541.db2.gz MZZCUHJMYZHIHU-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO CCC(C)(C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000362576236 168274221 /nfs/dbraw/zinc/27/42/21/168274221.db2.gz OXZYRHLONKGPMC-UHFFFAOYSA-N 1 2 249.358 2.912 20 0 BFADLO COc1cccc(CNc2cc(C)c[nH+]c2C)n1 ZINC000404497760 411399057 /nfs/dbraw/zinc/39/90/57/411399057.db2.gz AXHZUSGGXQHUJA-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C)c(F)c2)[nH+]1 ZINC000657320662 411461623 /nfs/dbraw/zinc/46/16/23/411461623.db2.gz DUZMGZHFDPHLBO-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cc1c[nH+]cc(NCc2cc3n(n2)CCCC3)c1 ZINC000653497520 411413613 /nfs/dbraw/zinc/41/36/13/411413613.db2.gz ITQREEATKAZDTL-UHFFFAOYSA-N 1 2 242.326 2.535 20 0 BFADLO CN(C)c1cccc(CN(C)c2cccc[nH+]2)c1 ZINC000266885768 411418407 /nfs/dbraw/zinc/41/84/07/411418407.db2.gz BFXAHUJVQYASFR-UHFFFAOYSA-N 1 2 241.338 2.784 20 0 BFADLO CCc1cc(N)nc(SCC2CC=CC2)[nH+]1 ZINC000657259759 411433052 /nfs/dbraw/zinc/43/30/52/411433052.db2.gz YEXLIKVYZWDCKG-UHFFFAOYSA-N 1 2 235.356 2.680 20 0 BFADLO CO[C@@H](C)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000272798272 411434586 /nfs/dbraw/zinc/43/45/86/411434586.db2.gz KNYGQKWDWZBWRD-VIFPVBQESA-N 1 2 245.725 2.946 20 0 BFADLO CO[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000272798272 411434589 /nfs/dbraw/zinc/43/45/89/411434589.db2.gz KNYGQKWDWZBWRD-VIFPVBQESA-N 1 2 245.725 2.946 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3sccc3C2)c(C)o1 ZINC000659824999 411463770 /nfs/dbraw/zinc/46/37/70/411463770.db2.gz KQTJDBCQDJBMFC-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1nc(C[N@H+]2CCc3sccc3C2)c(C)o1 ZINC000659824999 411463771 /nfs/dbraw/zinc/46/37/71/411463771.db2.gz KQTJDBCQDJBMFC-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)C1CCC1 ZINC000654967612 411468861 /nfs/dbraw/zinc/46/88/61/411468861.db2.gz YAIZMCVRPSIMEP-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1CSc1nc[nH]n1 ZINC000292637014 411470104 /nfs/dbraw/zinc/47/01/04/411470104.db2.gz JCKRRPKJGCWQPT-UHFFFAOYSA-N 1 2 248.355 2.924 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2coc(C)n2)on1 ZINC000659846087 411474194 /nfs/dbraw/zinc/47/41/94/411474194.db2.gz MQCWQGGWYSIFJX-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2coc(C)n2)on1 ZINC000659846087 411474197 /nfs/dbraw/zinc/47/41/97/411474197.db2.gz MQCWQGGWYSIFJX-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO CC(=O)c1cccc(C[N@@H+]2CCOCC2(C)C)c1 ZINC000295441169 411477620 /nfs/dbraw/zinc/47/76/20/411477620.db2.gz GKQASNFNKXGBRY-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CC(=O)c1cccc(C[N@H+]2CCOCC2(C)C)c1 ZINC000295441169 411477624 /nfs/dbraw/zinc/47/76/24/411477624.db2.gz GKQASNFNKXGBRY-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO Cc1c[nH]c(C[NH2+]C2(c3ccccc3F)CC2)n1 ZINC000657364218 411481277 /nfs/dbraw/zinc/48/12/77/411481277.db2.gz HZRVXWVUQTYUDH-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO CC(C)CCc1nc(Cn2cc[nH+]c2)cs1 ZINC000340544128 411481420 /nfs/dbraw/zinc/48/14/20/411481420.db2.gz JNIOMRAULBUVFS-UHFFFAOYSA-N 1 2 235.356 2.977 20 0 BFADLO CO[C@@H](C[N@H+](CC(F)F)C1CC1)C1CCCC1 ZINC000659907573 411493765 /nfs/dbraw/zinc/49/37/65/411493765.db2.gz IVIIYGGLBLCTDZ-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@@H+](CC(F)F)C1CC1)C1CCCC1 ZINC000659907573 411493768 /nfs/dbraw/zinc/49/37/68/411493768.db2.gz IVIIYGGLBLCTDZ-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1c[nH]c(CNc2cccc(F)c2C)[nH+]1 ZINC000657403878 411497696 /nfs/dbraw/zinc/49/76/96/411497696.db2.gz KCGNQXBRQXPLFO-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO CC[C@@H](C)n1nc(NCc2[nH]cc(C)[nH+]2)cc1C ZINC000657426648 411504096 /nfs/dbraw/zinc/50/40/96/411504096.db2.gz BQVXIWFYVPPLGO-SNVBAGLBSA-N 1 2 247.346 2.806 20 0 BFADLO CC[C@@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000657432462 411506104 /nfs/dbraw/zinc/50/61/04/411506104.db2.gz ODBNHSJXZZRLCB-UONOGXRCSA-N 1 2 246.354 2.940 20 0 BFADLO CC(C)=CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000659947783 411508508 /nfs/dbraw/zinc/50/85/08/411508508.db2.gz MUYPGJHETNASSB-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000659947783 411508509 /nfs/dbraw/zinc/50/85/09/411508509.db2.gz MUYPGJHETNASSB-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO COc1cc(NCc2[nH]cc(C)[nH+]2)c(C)cc1C ZINC000657453870 411515383 /nfs/dbraw/zinc/51/53/83/411515383.db2.gz IGHWYSFPLZCHLO-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO CCOc1ccc(C[NH2+]CC(F)F)c(C)c1 ZINC000657464653 411518633 /nfs/dbraw/zinc/51/86/33/411518633.db2.gz QCFNBSJJKACEKM-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)co1 ZINC000659985142 411519467 /nfs/dbraw/zinc/51/94/67/411519467.db2.gz COBOPKYNTOJYDE-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)co1 ZINC000659985142 411519469 /nfs/dbraw/zinc/51/94/69/411519469.db2.gz COBOPKYNTOJYDE-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1c[nH]c(C[NH2+]C(C)(C)c2ccccc2F)n1 ZINC000657473794 411524171 /nfs/dbraw/zinc/52/41/71/411524171.db2.gz UAJGHJPVOXTOFY-UHFFFAOYSA-N 1 2 247.317 2.882 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2coc(C)n2)c1 ZINC000659826881 411465027 /nfs/dbraw/zinc/46/50/27/411465027.db2.gz ROHWUKCAHYMICL-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2coc(C)n2)c1 ZINC000659826881 411465029 /nfs/dbraw/zinc/46/50/29/411465029.db2.gz ROHWUKCAHYMICL-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000352767269 170103307 /nfs/dbraw/zinc/10/33/07/170103307.db2.gz FUDCNZZXPFWPIE-UHFFFAOYSA-N 1 2 242.278 2.624 20 0 BFADLO Cc1nc(C[NH2+]C2(c3ccccc3)CC2)co1 ZINC000660192397 411552457 /nfs/dbraw/zinc/55/24/57/411552457.db2.gz QVKFIVPBAMTGDK-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2C)no1 ZINC000660217244 411555312 /nfs/dbraw/zinc/55/53/12/411555312.db2.gz OXSFLKAXCDBFFH-CMPLNLGQSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@@H]2C)no1 ZINC000660217244 411555314 /nfs/dbraw/zinc/55/53/14/411555314.db2.gz OXSFLKAXCDBFFH-CMPLNLGQSA-N 1 2 237.347 2.636 20 0 BFADLO CCOC(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000070378435 170216063 /nfs/dbraw/zinc/21/60/63/170216063.db2.gz CZFCGSHSOCXMTO-LBPRGKRZSA-N 1 2 247.338 2.775 20 0 BFADLO CCOC(=O)C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000070378435 170216064 /nfs/dbraw/zinc/21/60/64/170216064.db2.gz CZFCGSHSOCXMTO-LBPRGKRZSA-N 1 2 247.338 2.775 20 0 BFADLO CCOC(=O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000037394290 170227181 /nfs/dbraw/zinc/22/71/81/170227181.db2.gz YGGNMPRWYZBXMY-CYBMUJFWSA-N 1 2 235.327 2.599 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccccc1)C1CC1 ZINC000190818477 170247219 /nfs/dbraw/zinc/24/72/19/170247219.db2.gz PAXXXQUUQHOMOK-GFCCVEGCSA-N 1 2 247.338 2.603 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccccc1)C1CC1 ZINC000190818477 170247220 /nfs/dbraw/zinc/24/72/20/170247220.db2.gz PAXXXQUUQHOMOK-GFCCVEGCSA-N 1 2 247.338 2.603 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000353611015 170265779 /nfs/dbraw/zinc/26/57/79/170265779.db2.gz ZFYMMPLHQCUQEG-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000353611015 170265780 /nfs/dbraw/zinc/26/57/80/170265780.db2.gz ZFYMMPLHQCUQEG-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000082757984 170271480 /nfs/dbraw/zinc/27/14/80/170271480.db2.gz IPNKCLARZZQCJR-UWVGGRQHSA-N 1 2 241.356 2.740 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339573700 170278729 /nfs/dbraw/zinc/27/87/29/170278729.db2.gz NIXJWOQLQUGJFN-BZPMIXESSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339573700 170278731 /nfs/dbraw/zinc/27/87/31/170278731.db2.gz NIXJWOQLQUGJFN-BZPMIXESSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC1(CNc2cccc[nH+]2)CCCC1 ZINC000292873492 170320290 /nfs/dbraw/zinc/32/02/90/170320290.db2.gz TZLKNZIGJHFACE-UHFFFAOYSA-N 1 2 220.316 2.843 20 0 BFADLO CCOC1CC(C[NH2+]c2ccc(OC)cc2)C1 ZINC000285053992 170326409 /nfs/dbraw/zinc/32/64/09/170326409.db2.gz GBDCXZNPFBMLRF-UHFFFAOYSA-N 1 2 235.327 2.922 20 0 BFADLO CCOC1CC(N(C)c2[nH]c3ccccc3[nH+]2)C1 ZINC000288164987 170327712 /nfs/dbraw/zinc/32/77/12/170327712.db2.gz CZWFSEVVDGBIFR-UHFFFAOYSA-N 1 2 245.326 2.567 20 0 BFADLO CCOC1C[NH+](Cc2cc3ccccc3o2)C1 ZINC000297363973 170337143 /nfs/dbraw/zinc/33/71/43/170337143.db2.gz HAPQJYHAQVEKOL-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3cc(C)ccc3C2)co1 ZINC000660397514 411579140 /nfs/dbraw/zinc/57/91/40/411579140.db2.gz WWTYHCKLJLKFAR-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3cc(C)ccc3C2)co1 ZINC000660397514 411579142 /nfs/dbraw/zinc/57/91/42/411579142.db2.gz WWTYHCKLJLKFAR-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1cscn1)CC2 ZINC000657692787 411580016 /nfs/dbraw/zinc/58/00/16/411580016.db2.gz DNRWXSGRMAWMIF-CYBMUJFWSA-N 1 2 246.335 2.626 20 0 BFADLO COC[C@@H](C)[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000657769027 411593730 /nfs/dbraw/zinc/59/37/30/411593730.db2.gz HVXSXUFJQOGUPE-SECBINFHSA-N 1 2 247.260 2.542 20 0 BFADLO Cn1cccc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793965 411598721 /nfs/dbraw/zinc/59/87/21/411598721.db2.gz RSYKQUPAOBYTCX-UHFFFAOYSA-N 1 2 230.302 2.796 20 0 BFADLO Cc1[nH]c(CNCC(F)(F)C(C)(C)C)[nH+]c1C ZINC000657793473 411598779 /nfs/dbraw/zinc/59/87/79/411598779.db2.gz UUJPZQCDQOWUST-UHFFFAOYSA-N 1 2 245.317 2.798 20 0 BFADLO CCn1cc[nH+]c1CNCC(F)(F)C(C)(C)C ZINC000657793334 411599259 /nfs/dbraw/zinc/59/92/59/411599259.db2.gz KBJWVVUVIVDHAI-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000657794162 411599731 /nfs/dbraw/zinc/59/97/31/411599731.db2.gz OJAJJFPFLUUHMS-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO CC(C)=CCC[N@@H+](C)Cc1nncn1C(C)C ZINC000660620941 411608759 /nfs/dbraw/zinc/60/87/59/411608759.db2.gz ICOPDFSPKCOJIU-UHFFFAOYSA-N 1 2 236.363 2.647 20 0 BFADLO CC(C)=CCC[N@H+](C)Cc1nncn1C(C)C ZINC000660620941 411608761 /nfs/dbraw/zinc/60/87/61/411608761.db2.gz ICOPDFSPKCOJIU-UHFFFAOYSA-N 1 2 236.363 2.647 20 0 BFADLO CC(C)(C)c1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660927162 411677101 /nfs/dbraw/zinc/67/71/01/411677101.db2.gz WSBLSOGIUHWZAM-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660927162 411677106 /nfs/dbraw/zinc/67/71/06/411677106.db2.gz WSBLSOGIUHWZAM-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CCC(C)(C)CC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402115 411768696 /nfs/dbraw/zinc/76/86/96/411768696.db2.gz TWHUURQOVWRGIS-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(C)(C)CC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661402115 411768700 /nfs/dbraw/zinc/76/87/00/411768700.db2.gz TWHUURQOVWRGIS-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO O[C@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)CC1(F)F ZINC000661407588 411771045 /nfs/dbraw/zinc/77/10/45/411771045.db2.gz NHZIHLBXXJBNJZ-NEPJUHHUSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@H]1CC[N@H+]([C@@H]2C=CCCCCC2)CC1(F)F ZINC000661407588 411771049 /nfs/dbraw/zinc/77/10/49/411771049.db2.gz NHZIHLBXXJBNJZ-NEPJUHHUSA-N 1 2 245.313 2.577 20 0 BFADLO c1coc(C2CC[NH+](Cc3cnns3)CC2)c1 ZINC000661160906 411724466 /nfs/dbraw/zinc/72/44/66/411724466.db2.gz GJZBKSAFTKDNCB-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO Fc1ccc([C@@H]2CC[N@@H+]2Cc2ccno2)cc1 ZINC000661516047 411794791 /nfs/dbraw/zinc/79/47/91/411794791.db2.gz XCMOHBWSIUWKIZ-ZDUSSCGKSA-N 1 2 232.258 2.761 20 0 BFADLO Fc1ccc([C@@H]2CC[N@H+]2Cc2ccno2)cc1 ZINC000661516047 411794793 /nfs/dbraw/zinc/79/47/93/411794793.db2.gz XCMOHBWSIUWKIZ-ZDUSSCGKSA-N 1 2 232.258 2.761 20 0 BFADLO Cc1ccc(F)cc1C[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661545192 411800208 /nfs/dbraw/zinc/80/02/08/411800208.db2.gz RIUBKBKFUPICLU-VXGBXAGGSA-N 1 2 249.329 2.791 20 0 BFADLO CO[C@@H](COc1cc[nH+]cc1)C1CCCC1 ZINC000664014973 411814835 /nfs/dbraw/zinc/81/48/35/411814835.db2.gz GRPDBIUXHIVJGM-ZDUSSCGKSA-N 1 2 221.300 2.666 20 0 BFADLO COCCCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046567 411827295 /nfs/dbraw/zinc/82/72/95/411827295.db2.gz HCBSOANTSSZHGE-UHFFFAOYSA-N 1 2 248.326 2.687 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661688769 411839026 /nfs/dbraw/zinc/83/90/26/411839026.db2.gz IAEZKFCCQOTWIO-UWVGGRQHSA-N 1 2 243.351 2.671 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661688769 411839028 /nfs/dbraw/zinc/83/90/28/411839028.db2.gz IAEZKFCCQOTWIO-UWVGGRQHSA-N 1 2 243.351 2.671 20 0 BFADLO CC[C@@H](C)[C@@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334021 170786504 /nfs/dbraw/zinc/78/65/04/170786504.db2.gz CGBGEWYITWQNHJ-YGRLFVJLSA-N 1 2 249.358 2.563 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661875861 411912561 /nfs/dbraw/zinc/91/25/61/411912561.db2.gz QMXMJXSQHJDCBY-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661875861 411912565 /nfs/dbraw/zinc/91/25/65/411912565.db2.gz QMXMJXSQHJDCBY-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc(N2CC[C@H]2c2ccc(F)cc2)nc[nH+]1 ZINC000664291544 411913883 /nfs/dbraw/zinc/91/38/83/411913883.db2.gz XOBLGMVVSAJBGY-ZDUSSCGKSA-N 1 2 243.285 2.876 20 0 BFADLO CC[C@@H](C)n1ncc(NCc2c[nH+]cn2C)c1C ZINC000359789239 170810514 /nfs/dbraw/zinc/81/05/14/170810514.db2.gz CDJJALOFJIWCET-SNVBAGLBSA-N 1 2 247.346 2.508 20 0 BFADLO Cc1cc(N2CCC(c3ccco3)CC2)nc[nH+]1 ZINC000664176556 411881943 /nfs/dbraw/zinc/88/19/43/411881943.db2.gz JIPZLKNLCOIHQT-UHFFFAOYSA-N 1 2 243.310 2.762 20 0 BFADLO CC[C@@H](NC(=O)CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000140567198 170875148 /nfs/dbraw/zinc/87/51/48/170875148.db2.gz CMGHINMDUNHFIA-GFCCVEGCSA-N 1 2 249.358 2.947 20 0 BFADLO C[C@H](c1ccccc1)[C@H](O)CNc1cccc[nH+]1 ZINC000664611217 411999037 /nfs/dbraw/zinc/99/90/37/411999037.db2.gz BPSQUVBKKLXJFD-TZMCWYRMSA-N 1 2 242.322 2.658 20 0 BFADLO CC12CC(C1)CN2c1[nH+]ccc2c(N)cccc21 ZINC000664693773 412011354 /nfs/dbraw/zinc/01/13/54/412011354.db2.gz AQPGLSHQUTUQIP-UHFFFAOYSA-N 1 2 239.322 2.806 20 0 BFADLO CC[C@H](Nc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000664438419 411957851 /nfs/dbraw/zinc/95/78/51/411957851.db2.gz RNLYTHNKSHBBEX-NSHDSACASA-N 1 2 242.326 2.813 20 0 BFADLO CC/C=C\CC[N@H+](C)Cc1nnc(C)s1 ZINC000662257309 412051317 /nfs/dbraw/zinc/05/13/17/412051317.db2.gz OGZZRHKAAXTGRA-WAYWQWQTSA-N 1 2 225.361 2.635 20 0 BFADLO CC/C=C\CC[N@@H+](C)Cc1nnc(C)s1 ZINC000662257309 412051318 /nfs/dbraw/zinc/05/13/18/412051318.db2.gz OGZZRHKAAXTGRA-WAYWQWQTSA-N 1 2 225.361 2.635 20 0 BFADLO CCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979367 412056117 /nfs/dbraw/zinc/05/61/17/412056117.db2.gz XBWFFILNUVJYDN-UHFFFAOYSA-N 1 2 231.299 2.706 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@@H]2CC23CC3)n1 ZINC000664986029 412056709 /nfs/dbraw/zinc/05/67/09/412056709.db2.gz OGHAPEUPSFSSSZ-NSHDSACASA-N 1 2 241.294 2.631 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(C(C)=O)cc2)CCO1 ZINC000295569720 171087576 /nfs/dbraw/zinc/08/75/76/171087576.db2.gz QZUNWBKDJPHMPR-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)=O)cc2)CCO1 ZINC000295569720 171087578 /nfs/dbraw/zinc/08/75/78/171087578.db2.gz QZUNWBKDJPHMPR-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)C[C@H](C)O1 ZINC000357007284 171093915 /nfs/dbraw/zinc/09/39/15/171093915.db2.gz OJTIVGADESZUBW-SDDRHHMPSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)C[C@H](C)O1 ZINC000357007284 171093917 /nfs/dbraw/zinc/09/39/17/171093917.db2.gz OJTIVGADESZUBW-SDDRHHMPSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@H](C)O1 ZINC000357007281 171096312 /nfs/dbraw/zinc/09/63/12/171096312.db2.gz OJTIVGADESZUBW-QJPTWQEYSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@H](C)O1 ZINC000357007281 171096313 /nfs/dbraw/zinc/09/63/13/171096313.db2.gz OJTIVGADESZUBW-QJPTWQEYSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301310009 171124498 /nfs/dbraw/zinc/12/44/98/171124498.db2.gz YNGREBGVYJVVSY-SCZZXKLOSA-N 1 2 203.289 2.564 20 0 BFADLO CC[C@@H]1C[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000342054299 171128535 /nfs/dbraw/zinc/12/85/35/171128535.db2.gz ZDZIWNKELZECII-CMPLNLGQSA-N 1 2 231.343 2.979 20 0 BFADLO CC[C@@H]1C[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302066602 171142391 /nfs/dbraw/zinc/14/23/91/171142391.db2.gz WHVKODBUHXPBTE-ZWNOBZJWSA-N 1 2 231.343 2.874 20 0 BFADLO CC[C@@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000083421571 171185504 /nfs/dbraw/zinc/18/55/04/171185504.db2.gz ANRNNMDCPZHRFM-CQSZACIVSA-N 1 2 230.311 2.808 20 0 BFADLO CC[C@@](C)(O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354574308 171186117 /nfs/dbraw/zinc/18/61/17/171186117.db2.gz VOTDINRDRHNCIR-CQSZACIVSA-N 1 2 248.301 2.947 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000341305169 171208591 /nfs/dbraw/zinc/20/85/91/171208591.db2.gz FWFBZKNVPABIEI-HZMBPMFUSA-N 1 2 243.310 2.709 20 0 BFADLO CC[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OC ZINC000061625637 171346513 /nfs/dbraw/zinc/34/65/13/171346513.db2.gz HTDDAZLPAZOVSH-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO CC[C@@H](C)Nc1cc(N[C@@H](C)CC)nc[nH+]1 ZINC000243832513 171349881 /nfs/dbraw/zinc/34/98/81/171349881.db2.gz QZOOXFJSQBYHDK-AOOOYVTPSA-N 1 2 222.336 2.897 20 0 BFADLO CC[C@@H](C)Nc1cc(N[C@@H](C)CC)[nH+]cn1 ZINC000243832513 171349882 /nfs/dbraw/zinc/34/98/82/171349882.db2.gz QZOOXFJSQBYHDK-AOOOYVTPSA-N 1 2 222.336 2.897 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@H](C)c1nc(C)no1 ZINC000665239450 412179990 /nfs/dbraw/zinc/17/99/90/412179990.db2.gz CEDUILZZIZOQDV-SNVBAGLBSA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@H](C)c1nc(C)no1 ZINC000665239450 412179994 /nfs/dbraw/zinc/17/99/94/412179994.db2.gz CEDUILZZIZOQDV-SNVBAGLBSA-N 1 2 249.314 2.863 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C3CCC3)C2)no1 ZINC000665285999 412232352 /nfs/dbraw/zinc/23/23/52/412232352.db2.gz CACLMIHQUNEILE-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C3CCC3)C2)no1 ZINC000665285999 412232357 /nfs/dbraw/zinc/23/23/57/412232357.db2.gz CACLMIHQUNEILE-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO COc1cc(C)c(C)cc1[NH2+]CC1(C)COC1 ZINC000663283812 412409818 /nfs/dbraw/zinc/40/98/18/412409818.db2.gz YMNSTZLRAGSMLX-UHFFFAOYSA-N 1 2 235.327 2.760 20 0 BFADLO CCc1ncc(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000107286078 172016236 /nfs/dbraw/zinc/01/62/36/172016236.db2.gz LMNPATLNZXFKRS-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO CCc1nnc(C[N@H+](Cc2ccco2)C(C)C)o1 ZINC000299356735 172048041 /nfs/dbraw/zinc/04/80/41/172048041.db2.gz DBERHKJURVDRKX-UHFFFAOYSA-N 1 2 249.314 2.636 20 0 BFADLO CCc1nnc(C[N@@H+](Cc2ccco2)C(C)C)o1 ZINC000299356735 172048044 /nfs/dbraw/zinc/04/80/44/172048044.db2.gz DBERHKJURVDRKX-UHFFFAOYSA-N 1 2 249.314 2.636 20 0 BFADLO CCc1noc([C@@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000285638294 172091371 /nfs/dbraw/zinc/09/13/71/172091371.db2.gz WMOHXQJDAUTRLD-CYBMUJFWSA-N 1 2 245.326 2.673 20 0 BFADLO CCc1noc([C@@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000285638294 172091373 /nfs/dbraw/zinc/09/13/73/172091373.db2.gz WMOHXQJDAUTRLD-CYBMUJFWSA-N 1 2 245.326 2.673 20 0 BFADLO CCc1ocnc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000268001960 172123376 /nfs/dbraw/zinc/12/33/76/172123376.db2.gz MYTGQKFKUWYOIV-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CCn1cccc1CNc1c[nH+]cc(C)c1 ZINC000232074235 172210429 /nfs/dbraw/zinc/21/04/29/172210429.db2.gz ONIAMJDZLATEAU-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1cccs1 ZINC000336706401 172217199 /nfs/dbraw/zinc/21/71/99/172217199.db2.gz RNUOIVDWBJKPQA-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1cccs1 ZINC000336706401 172217202 /nfs/dbraw/zinc/21/72/02/172217202.db2.gz RNUOIVDWBJKPQA-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1cc[nH+]c1CN(C)Cc1cccs1 ZINC000336706401 172217203 /nfs/dbraw/zinc/21/72/03/172217203.db2.gz RNUOIVDWBJKPQA-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(OC)c(F)c1 ZINC000051921463 172223424 /nfs/dbraw/zinc/22/34/24/172223424.db2.gz KIHHYACQJDLJBM-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCn1ccnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000051921354 172224163 /nfs/dbraw/zinc/22/41/63/172224163.db2.gz LJMBTCSOIZARGH-GFCCVEGCSA-N 1 2 245.326 2.663 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(F)cc(F)c1 ZINC000051920929 172224597 /nfs/dbraw/zinc/22/45/97/172224597.db2.gz IXJDAFRKBGKIKU-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCn1nccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000131085302 172263405 /nfs/dbraw/zinc/26/34/05/172263405.db2.gz WITJONFBHQDVFH-NSHDSACASA-N 1 2 233.315 2.689 20 0 BFADLO CCn1nccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000131085302 172263408 /nfs/dbraw/zinc/26/34/08/172263408.db2.gz WITJONFBHQDVFH-NSHDSACASA-N 1 2 233.315 2.689 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000249847649 173399942 /nfs/dbraw/zinc/39/99/42/173399942.db2.gz GBKMZAAVAKJBHX-SDDRHHMPSA-N 1 2 249.358 2.863 20 0 BFADLO COC1CCC(Nc2c[nH+]cc(C)c2)CC1 ZINC000134879123 174025114 /nfs/dbraw/zinc/02/51/14/174025114.db2.gz NQZMVWVZFZKYDN-UHFFFAOYSA-N 1 2 220.316 2.760 20 0 BFADLO COC1C[NH+](Cc2ccccc2OCC(C)C)C1 ZINC000358453737 174035660 /nfs/dbraw/zinc/03/56/60/174035660.db2.gz NFXBDQXVJNYAKZ-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO COCCCCSCc1c[nH+]ccc1OC ZINC000342025778 174206146 /nfs/dbraw/zinc/20/61/46/174206146.db2.gz QFLIZSXKADWZSX-UHFFFAOYSA-N 1 2 241.356 2.750 20 0 BFADLO COCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000119712750 174341281 /nfs/dbraw/zinc/34/12/81/174341281.db2.gz YRZUXQJSRRKXSR-UHFFFAOYSA-N 1 2 234.274 2.741 20 0 BFADLO COCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000272943175 174387708 /nfs/dbraw/zinc/38/77/08/174387708.db2.gz XEBWYJKMMBWKRX-SNVBAGLBSA-N 1 2 249.358 2.501 20 0 BFADLO COCC[C@@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000375122934 174395535 /nfs/dbraw/zinc/39/55/35/174395535.db2.gz DTXPROVSBNRULD-ZDUSSCGKSA-N 1 2 234.343 2.725 20 0 BFADLO COc1cc(N[C@@H]2CCn3cc[nH+]c32)ccc1F ZINC000294083774 175004563 /nfs/dbraw/zinc/00/45/63/175004563.db2.gz LPVYLEMXYPSHJH-LLVKDONJSA-N 1 2 247.273 2.588 20 0 BFADLO COc1cc([C@H](C)Nc2cccc[nH+]2)ccn1 ZINC000340903341 175015830 /nfs/dbraw/zinc/01/58/30/175015830.db2.gz SNTKUXQLMZTIJA-JTQLQIEISA-N 1 2 229.283 2.658 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)cc1Cl ZINC000082333999 175035401 /nfs/dbraw/zinc/03/54/01/175035401.db2.gz BFAVELPGCYODAX-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO COc1ccc(-c2c[nH+]c(N)c(C)c2)c(F)c1 ZINC000082730050 175035872 /nfs/dbraw/zinc/03/58/72/175035872.db2.gz KFKIQNQWQMWMHE-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO COc1ccc(C)cc1N[C@H]1CCn2cc[nH+]c21 ZINC000294181975 175078870 /nfs/dbraw/zinc/07/88/70/175078870.db2.gz RZDZORAZFKLQBL-NSHDSACASA-N 1 2 243.310 2.757 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccon1 ZINC000148633057 175081187 /nfs/dbraw/zinc/08/11/87/175081187.db2.gz ZPBSEMKLQOFXHK-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000162818460 175153107 /nfs/dbraw/zinc/15/31/07/175153107.db2.gz TYYMCCZPNYWWPR-QWRGUYRKSA-N 1 2 221.300 2.532 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@H]2CCOC2)c(C)c1 ZINC000165617177 175154858 /nfs/dbraw/zinc/15/48/58/175154858.db2.gz IUISQCJCPXNCMY-NEPJUHHUSA-N 1 2 235.327 2.841 20 0 BFADLO COc1ccc(N[C@H]2CCn3cc[nH+]c32)c(C)c1 ZINC000294126874 175155351 /nfs/dbraw/zinc/15/53/51/175155351.db2.gz OHHNAMIJNZRSHZ-ZDUSSCGKSA-N 1 2 243.310 2.757 20 0 BFADLO COc1ccc2[nH+]c(C)nc(N[C@@H]3C[C@H]3C)c2c1 ZINC000301949504 175227861 /nfs/dbraw/zinc/22/78/61/175227861.db2.gz IGVBRUATJPSRPT-AMIZOPFISA-N 1 2 243.310 2.767 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2ccc(C)o2)n1 ZINC000172007153 175254939 /nfs/dbraw/zinc/25/49/39/175254939.db2.gz LJJQEICLKUJIDG-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2ccc(C)o2)n1 ZINC000172007153 175254940 /nfs/dbraw/zinc/25/49/40/175254940.db2.gz LJJQEICLKUJIDG-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(CSCc2c[nH+]cn2C)c1 ZINC000267812703 175270286 /nfs/dbraw/zinc/27/02/86/175270286.db2.gz UPYTUQZTDXWJRP-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO COc1ccccc1/C=C/C[NH2+]CC(F)F ZINC000291400578 175314872 /nfs/dbraw/zinc/31/48/72/175314872.db2.gz DWOLQFLOCGKHMD-GQCTYLIASA-N 1 2 227.254 2.563 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1conc1C ZINC000295021384 175324642 /nfs/dbraw/zinc/32/46/42/175324642.db2.gz WRRHQKDYPHKPOF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1conc1C ZINC000295021384 175324644 /nfs/dbraw/zinc/32/46/44/175324644.db2.gz WRRHQKDYPHKPOF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1cc(C)on1 ZINC000263728359 175324780 /nfs/dbraw/zinc/32/47/80/175324780.db2.gz DNDAXFWWGOCUFB-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1cc(C)on1 ZINC000263728359 175324782 /nfs/dbraw/zinc/32/47/82/175324782.db2.gz DNDAXFWWGOCUFB-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000271946651 175344196 /nfs/dbraw/zinc/34/41/96/175344196.db2.gz AUFMEIPVVHKNMP-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138947925 175345772 /nfs/dbraw/zinc/34/57/72/175345772.db2.gz XHWAFYXZTNDQDZ-MNOVXSKESA-N 1 2 245.326 2.830 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1=CCCCC1 ZINC000127181404 175374773 /nfs/dbraw/zinc/37/47/73/175374773.db2.gz FEDSXWBZCZZVKT-UHFFFAOYSA-N 1 2 232.283 2.529 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000336388141 175375187 /nfs/dbraw/zinc/37/51/87/175375187.db2.gz GEKBOGSJLPXMCQ-SNVBAGLBSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1(C)CCCC1 ZINC000299475901 175375377 /nfs/dbraw/zinc/37/53/77/175375377.db2.gz IONTYQMFIIFIRH-UHFFFAOYSA-N 1 2 234.299 2.609 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000185779010 175375591 /nfs/dbraw/zinc/37/55/91/175375591.db2.gz LKBPKHBHVBLQBY-HZMBPMFUSA-N 1 2 248.326 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000184690027 175375889 /nfs/dbraw/zinc/37/58/89/175375889.db2.gz VDJCFKMZIPOVTA-QWRGUYRKSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265226002 175375893 /nfs/dbraw/zinc/37/58/93/175375893.db2.gz GZPYAWGWWUEORN-SECBINFHSA-N 1 2 236.315 2.711 20 0 BFADLO COc1ccsc1C[NH2+][C@H](C)c1ccon1 ZINC000309878381 175380313 /nfs/dbraw/zinc/38/03/13/175380313.db2.gz UHYFXZMMUPFGHS-MRVPVSSYSA-N 1 2 238.312 2.596 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)on1 ZINC000270656589 487631892 /nfs/dbraw/zinc/63/18/92/487631892.db2.gz NGENGVRLZFDYDD-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccnc2)on1 ZINC000270656589 487631895 /nfs/dbraw/zinc/63/18/95/487631895.db2.gz NGENGVRLZFDYDD-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccnn1C ZINC000129728486 176024727 /nfs/dbraw/zinc/02/47/27/176024727.db2.gz NGLIFERHMJCGIT-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccnn1C ZINC000129728486 176024729 /nfs/dbraw/zinc/02/47/29/176024729.db2.gz NGLIFERHMJCGIT-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc[nH]n1 ZINC000114461008 176025706 /nfs/dbraw/zinc/02/57/06/176025706.db2.gz ZOTWUAQBWCDISZ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461008 176025707 /nfs/dbraw/zinc/02/57/07/176025707.db2.gz ZOTWUAQBWCDISZ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1ccon1)C1CC1 ZINC000086235677 176032803 /nfs/dbraw/zinc/03/28/03/176032803.db2.gz VZXIZWOPQCRFNM-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1ccon1)C1CC1 ZINC000086235677 176032804 /nfs/dbraw/zinc/03/28/04/176032804.db2.gz VZXIZWOPQCRFNM-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1c[nH]cn1 ZINC000179408932 176033250 /nfs/dbraw/zinc/03/32/50/176033250.db2.gz PLFXGHCDPFMEGH-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1c[nH]cn1 ZINC000179408932 176033251 /nfs/dbraw/zinc/03/32/51/176033251.db2.gz PLFXGHCDPFMEGH-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1cnc[nH]1 ZINC000179408932 176033252 /nfs/dbraw/zinc/03/32/52/176033252.db2.gz PLFXGHCDPFMEGH-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cnc[nH]1 ZINC000179408932 176033253 /nfs/dbraw/zinc/03/32/53/176033253.db2.gz PLFXGHCDPFMEGH-VIFPVBQESA-N 1 2 221.329 2.664 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCO[C@H](C)C1 ZINC000180890366 176039806 /nfs/dbraw/zinc/03/98/06/176039806.db2.gz QJFULBLCQGDFNH-MNOVXSKESA-N 1 2 246.310 2.610 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCO[C@H](C)C1 ZINC000180890366 176039808 /nfs/dbraw/zinc/03/98/08/176039808.db2.gz QJFULBLCQGDFNH-MNOVXSKESA-N 1 2 246.310 2.610 20 0 BFADLO C[C@@H](c1noc(CCn2cc[nH+]c2)n1)C(C)(C)C ZINC000356883825 176042146 /nfs/dbraw/zinc/04/21/46/176042146.db2.gz NMCRJLGZXUWVPR-JTQLQIEISA-N 1 2 248.330 2.658 20 0 BFADLO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(F)(F)F ZINC000019807468 176113804 /nfs/dbraw/zinc/11/38/04/176113804.db2.gz AKUVLVWHWDWSNY-HTQZYQBOSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000178798320 176104676 /nfs/dbraw/zinc/10/46/76/176104676.db2.gz NHGQXOHLSMBSTI-LLVKDONJSA-N 1 2 229.327 2.810 20 0 BFADLO C[C@@H]1CCC[C@@H](COCc2[nH]cc[nH+]2)C1 ZINC000185544731 176119490 /nfs/dbraw/zinc/11/94/90/176119490.db2.gz TWXZZGNDYZJRIH-GHMZBOCLSA-N 1 2 208.305 2.753 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301870955 176133164 /nfs/dbraw/zinc/13/31/64/176133164.db2.gz IRAZNHVQXRGKFO-KOLCDFICSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c[nH]cn2)[C@@H](c2ccco2)C1 ZINC000245737474 176173954 /nfs/dbraw/zinc/17/39/54/176173954.db2.gz LEGSZSCBWDNKPK-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c[nH]cn2)[C@@H](c2ccco2)C1 ZINC000245737474 176173955 /nfs/dbraw/zinc/17/39/55/176173955.db2.gz LEGSZSCBWDNKPK-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc[nH]2)[C@@H](c2ccco2)C1 ZINC000245737474 176173956 /nfs/dbraw/zinc/17/39/56/176173956.db2.gz LEGSZSCBWDNKPK-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc[nH]2)[C@@H](c2ccco2)C1 ZINC000245737474 176173957 /nfs/dbraw/zinc/17/39/57/176173957.db2.gz LEGSZSCBWDNKPK-DGCLKSJQSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+](CC(F)F)CC2CCC2)O1 ZINC000354700185 176202103 /nfs/dbraw/zinc/20/21/03/176202103.db2.gz DQNJFGKYFQLBRK-PWSUYJOCSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+](CC(F)F)CC2CCC2)O1 ZINC000354700185 176202105 /nfs/dbraw/zinc/20/21/05/176202105.db2.gz DQNJFGKYFQLBRK-PWSUYJOCSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302864744 176214639 /nfs/dbraw/zinc/21/46/39/176214639.db2.gz XPSKIWOVOWIEOW-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302864744 176214640 /nfs/dbraw/zinc/21/46/40/176214640.db2.gz XPSKIWOVOWIEOW-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+](CC(F)F)CC2CCC2)O1 ZINC000354700186 176223804 /nfs/dbraw/zinc/22/38/04/176223804.db2.gz DQNJFGKYFQLBRK-ZYHUDNBSSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+](CC(F)F)CC2CCC2)O1 ZINC000354700186 176223805 /nfs/dbraw/zinc/22/38/05/176223805.db2.gz DQNJFGKYFQLBRK-ZYHUDNBSSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000093867488 176301216 /nfs/dbraw/zinc/30/12/16/176301216.db2.gz HTQXQZZESFLWNE-RISCZKNCSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000093867488 176301217 /nfs/dbraw/zinc/30/12/17/176301217.db2.gz HTQXQZZESFLWNE-RISCZKNCSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194319139 176301237 /nfs/dbraw/zinc/30/12/37/176301237.db2.gz CUKPXLWUYHJWDJ-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194319139 176301238 /nfs/dbraw/zinc/30/12/38/176301238.db2.gz CUKPXLWUYHJWDJ-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000053157675 176305901 /nfs/dbraw/zinc/30/59/01/176305901.db2.gz RDYGUESFXUGECE-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000053157675 176305903 /nfs/dbraw/zinc/30/59/03/176305903.db2.gz RDYGUESFXUGECE-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnns2)[C@H]1c1ccccc1 ZINC000290106449 176310857 /nfs/dbraw/zinc/31/08/57/176310857.db2.gz SKFWSVYKQGQIKT-ZWNOBZJWSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnns2)[C@H]1c1ccccc1 ZINC000290106449 176310859 /nfs/dbraw/zinc/31/08/59/176310859.db2.gz SKFWSVYKQGQIKT-ZWNOBZJWSA-N 1 2 245.351 2.731 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000177829981 176312154 /nfs/dbraw/zinc/31/21/54/176312154.db2.gz VUNWZNZZJBERDW-RISCZKNCSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000177829981 176312156 /nfs/dbraw/zinc/31/21/56/176312156.db2.gz VUNWZNZZJBERDW-RISCZKNCSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1cccnc1Cl ZINC000069760906 176351062 /nfs/dbraw/zinc/35/10/62/176351062.db2.gz KMDQLHBBXMZZAQ-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1cccnc1Cl ZINC000069760906 176351063 /nfs/dbraw/zinc/35/10/63/176351063.db2.gz KMDQLHBBXMZZAQ-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1cc(F)ccc1F ZINC000172588796 176351735 /nfs/dbraw/zinc/35/17/35/176351735.db2.gz JDPOBOYSLRTLEU-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1cc(F)ccc1F ZINC000172588796 176351736 /nfs/dbraw/zinc/35/17/36/176351736.db2.gz JDPOBOYSLRTLEU-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000340021492 176364250 /nfs/dbraw/zinc/36/42/50/176364250.db2.gz UCMQACHIVGXKRW-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000340021492 176364251 /nfs/dbraw/zinc/36/42/51/176364251.db2.gz UCMQACHIVGXKRW-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(C(C)(C)C)on1 ZINC000336559118 176364342 /nfs/dbraw/zinc/36/43/42/176364342.db2.gz QROSCAPICITVFP-NXEZZACHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348520 176380380 /nfs/dbraw/zinc/38/03/80/176380380.db2.gz XBUWARHBSHTCHX-YPMHNXCESA-N 1 2 234.343 2.732 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348520 176380382 /nfs/dbraw/zinc/38/03/82/176380382.db2.gz XBUWARHBSHTCHX-YPMHNXCESA-N 1 2 234.343 2.732 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000277045191 176399147 /nfs/dbraw/zinc/39/91/47/176399147.db2.gz GGBOPXYSURSZQP-NXEZZACHSA-N 1 2 213.284 2.698 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccon1 ZINC000340354215 176890243 /nfs/dbraw/zinc/89/02/43/176890243.db2.gz KICXCNYGFVEUIL-IUCAKERBSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342100065 177041349 /nfs/dbraw/zinc/04/13/49/177041349.db2.gz QJHZIUHZCZCKPZ-UTUOFQBUSA-N 1 2 235.302 2.750 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000342100065 177041351 /nfs/dbraw/zinc/04/13/51/177041351.db2.gz QJHZIUHZCZCKPZ-UTUOFQBUSA-N 1 2 235.302 2.750 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301821397 177126722 /nfs/dbraw/zinc/12/67/22/177126722.db2.gz KAKQWTAPUYZTIZ-JQWIXIFHSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301821397 177126723 /nfs/dbraw/zinc/12/67/23/177126723.db2.gz KAKQWTAPUYZTIZ-JQWIXIFHSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CCC[C@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000237537219 177132016 /nfs/dbraw/zinc/13/20/16/177132016.db2.gz FJJVONUZIFNVBT-QWRGUYRKSA-N 1 2 247.342 2.819 20 0 BFADLO C[C@H]1CCC[C@H](COCc2[nH]cc[nH+]2)C1 ZINC000185544712 177134387 /nfs/dbraw/zinc/13/43/87/177134387.db2.gz TWXZZGNDYZJRIH-QWRGUYRKSA-N 1 2 208.305 2.753 20 0 BFADLO C[C@H]1CCC[C@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336941020 177140436 /nfs/dbraw/zinc/14/04/36/177140436.db2.gz YCDIHROJHCHTPI-GXSJLCMTSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110542744 177142569 /nfs/dbraw/zinc/14/25/69/177142569.db2.gz LIUOTBMIPGGFDE-GXSJLCMTSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)[C@H]1C ZINC000301836197 177171049 /nfs/dbraw/zinc/17/10/49/177171049.db2.gz VCSMBFYJVSWIEC-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)[C@H]1C ZINC000301836197 177171053 /nfs/dbraw/zinc/17/10/53/177171053.db2.gz VCSMBFYJVSWIEC-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CC[C@H](C)N1c1cc(NCC2CC2)[nH+]cn1 ZINC000301916974 177187170 /nfs/dbraw/zinc/18/71/70/177187170.db2.gz VWFCOYDPMIBBKR-PHIMTYICSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CC[C@H](C)N1c1cc(NCC2CC2)nc[nH+]1 ZINC000301916974 177187172 /nfs/dbraw/zinc/18/71/72/177187172.db2.gz VWFCOYDPMIBBKR-PHIMTYICSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@H]1CC[C@@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157683 177188785 /nfs/dbraw/zinc/18/87/85/177188785.db2.gz SQKMVSBJXWBVOH-JQWIXIFHSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@H]1CC[C@@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157683 177188787 /nfs/dbraw/zinc/18/87/87/177188787.db2.gz SQKMVSBJXWBVOH-JQWIXIFHSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@H]1CC[C@H](C)N1c1nc(N)c2ccccc2[nH+]1 ZINC000301904177 177199907 /nfs/dbraw/zinc/19/99/07/177199907.db2.gz PJSHUEXVCPXHFI-UWVGGRQHSA-N 1 2 242.326 2.589 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000081574904 177268591 /nfs/dbraw/zinc/26/85/91/177268591.db2.gz HTWJMZMUZGCAEZ-FZMZJTMJSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000081574904 177268592 /nfs/dbraw/zinc/26/85/92/177268592.db2.gz HTWJMZMUZGCAEZ-FZMZJTMJSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCO[C@@H](C)C1 ZINC000180890381 177273438 /nfs/dbraw/zinc/27/34/38/177273438.db2.gz QJFULBLCQGDFNH-QWRGUYRKSA-N 1 2 246.310 2.610 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCO[C@@H](C)C1 ZINC000180890381 177273439 /nfs/dbraw/zinc/27/34/39/177273439.db2.gz QJFULBLCQGDFNH-QWRGUYRKSA-N 1 2 246.310 2.610 20 0 BFADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000270567419 177278053 /nfs/dbraw/zinc/27/80/53/177278053.db2.gz LZWRGMUIGPWHLE-UWVGGRQHSA-N 1 2 215.300 2.655 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2Cl)[C@@H](C)CO1 ZINC000141425753 177302040 /nfs/dbraw/zinc/30/20/40/177302040.db2.gz QLKQXIFYAJFKEJ-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)[C@@H](C)CO1 ZINC000141425753 177302043 /nfs/dbraw/zinc/30/20/43/177302043.db2.gz QLKQXIFYAJFKEJ-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccc(F)cc1F ZINC000177670330 177304674 /nfs/dbraw/zinc/30/46/74/177304674.db2.gz MGZUYPBSABHRSL-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccc(F)cc1F ZINC000177670330 177304675 /nfs/dbraw/zinc/30/46/75/177304675.db2.gz MGZUYPBSABHRSL-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705098 177351757 /nfs/dbraw/zinc/35/17/57/177351757.db2.gz BCHDAVGOEJYFTJ-FMSGJZPZSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705098 177351759 /nfs/dbraw/zinc/35/17/59/177351759.db2.gz BCHDAVGOEJYFTJ-FMSGJZPZSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@H]1C[C@H](CCNc2cccc[nH+]2)CCO1 ZINC000273180751 177361005 /nfs/dbraw/zinc/36/10/05/177361005.db2.gz PZAWBRFJSDYXRR-NWDGAFQWSA-N 1 2 220.316 2.699 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC1CCCC1 ZINC000478272233 225168162 /nfs/dbraw/zinc/16/81/62/225168162.db2.gz JHVMYWHWWMTXMX-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO Cc1[nH+]cccc1NC/C=C/c1ccncc1 ZINC000487559389 225312000 /nfs/dbraw/zinc/31/20/00/225312000.db2.gz LCGLBSJUUBQIHP-DUXPYHPUSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1cc[nH+]cc1NC/C=C/c1ccncc1 ZINC000487555390 225312739 /nfs/dbraw/zinc/31/27/39/225312739.db2.gz GGOSIFCYXSGGBH-NSCUHMNNSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1ccc(F)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492764850 226049216 /nfs/dbraw/zinc/04/92/16/226049216.db2.gz KTMQKJWYVQBPLC-HWKANZROSA-N 1 2 245.257 2.509 20 0 BFADLO Nc1ccc(NC(=O)C=CC2CCCCC2)c[nH+]1 ZINC000493096146 226126329 /nfs/dbraw/zinc/12/63/29/226126329.db2.gz OPDRVOIYKPFCKH-TWGQIWQCSA-N 1 2 245.326 2.569 20 0 BFADLO Cc1nc(N[C@@H](C)CCCC(F)(F)F)cc[nH+]1 ZINC000493475253 226226590 /nfs/dbraw/zinc/22/65/90/226226590.db2.gz ZKMBXDNOVFEYMZ-QMMMGPOBSA-N 1 2 247.264 2.740 20 0 BFADLO COCCCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211392 226262447 /nfs/dbraw/zinc/26/24/47/226262447.db2.gz GEVSWQQAYXXNIZ-LLVKDONJSA-N 1 2 235.318 2.780 20 0 BFADLO COCCCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494211392 226262448 /nfs/dbraw/zinc/26/24/48/226262448.db2.gz GEVSWQQAYXXNIZ-LLVKDONJSA-N 1 2 235.318 2.780 20 0 BFADLO C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225374 226262566 /nfs/dbraw/zinc/26/25/66/226262566.db2.gz ZTGYRRUXIYMXGB-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225374 226262567 /nfs/dbraw/zinc/26/25/67/226262567.db2.gz ZTGYRRUXIYMXGB-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc2c(c1)OCO2 ZINC000228493057 487662915 /nfs/dbraw/zinc/66/29/15/487662915.db2.gz YDZJHRJUZCHYLF-HTQZYQBOSA-N 1 2 243.253 2.720 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cc[nH]n2)c(Cl)c1 ZINC000404500470 322937748 /nfs/dbraw/zinc/93/77/48/322937748.db2.gz YEBCGKIGRYTIQG-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO C[C@H](C[C@@H]1CCOC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000675292533 487692868 /nfs/dbraw/zinc/69/28/68/487692868.db2.gz ZCAFSNKOMFRRCQ-MNOVXSKESA-N 1 2 247.342 2.581 20 0 BFADLO CC/C=C\CC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681020905 487696756 /nfs/dbraw/zinc/69/67/56/487696756.db2.gz MCZIKBDRBVUHEQ-XOULXFPDSA-N 1 2 237.265 2.606 20 0 BFADLO CC/C=C\CC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000681020905 487696760 /nfs/dbraw/zinc/69/67/60/487696760.db2.gz MCZIKBDRBVUHEQ-XOULXFPDSA-N 1 2 237.265 2.606 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3occc3c2)no1 ZINC000671716428 487703736 /nfs/dbraw/zinc/70/37/36/487703736.db2.gz FFYYRPKZSYOESU-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO COc1ccncc1C[N@H+](C)Cc1ccsc1 ZINC000672535417 487720423 /nfs/dbraw/zinc/72/04/23/487720423.db2.gz YBGSINOTNSCUCW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccncc1C[N@@H+](C)Cc1ccsc1 ZINC000672535417 487720430 /nfs/dbraw/zinc/72/04/30/487720430.db2.gz YBGSINOTNSCUCW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000668419891 487722094 /nfs/dbraw/zinc/72/20/94/487722094.db2.gz PJLAKNOFRPDNCO-HNNXBMFYSA-N 1 2 244.338 2.887 20 0 BFADLO Cc1cc(C)c(C[N@H+](C)Cc2cnc[nH]2)cc1C ZINC000668423468 487729266 /nfs/dbraw/zinc/72/92/66/487729266.db2.gz ZHRJWHSMTCFHFY-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cc(C)c(C[N@@H+](C)Cc2cnc[nH]2)cc1C ZINC000668423468 487729269 /nfs/dbraw/zinc/72/92/69/487729269.db2.gz ZHRJWHSMTCFHFY-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO CCCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000675453591 487733747 /nfs/dbraw/zinc/73/37/47/487733747.db2.gz XRBZNKNHFSWQSJ-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CCc1cc(NCC(C)(C)OCC2CC2)nc[nH+]1 ZINC000665746752 487747996 /nfs/dbraw/zinc/74/79/96/487747996.db2.gz IDPINQOITKGERO-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccn2)s1 ZINC000054459494 487754155 /nfs/dbraw/zinc/75/41/55/487754155.db2.gz UAJIXYODRIEQPP-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CCOC[C@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000668440546 487759313 /nfs/dbraw/zinc/75/93/13/487759313.db2.gz OFQJJMNODNHFFT-NSHDSACASA-N 1 2 234.343 2.797 20 0 BFADLO c1[nH+]cc(N[C@H]2CCCOC2)c2c1CCCC2 ZINC000668441333 487759937 /nfs/dbraw/zinc/75/99/37/487759937.db2.gz UAJKEZRCBLZEDQ-LBPRGKRZSA-N 1 2 232.327 2.551 20 0 BFADLO c1[nH+]cc(N[C@@H]2CCCOC2)c2c1CCCC2 ZINC000668441331 487760096 /nfs/dbraw/zinc/76/00/96/487760096.db2.gz UAJKEZRCBLZEDQ-GFCCVEGCSA-N 1 2 232.327 2.551 20 0 BFADLO CC[C@H](NC(=O)[C@H](C)C1CCCC1)c1[nH]cc[nH+]1 ZINC000682040976 487769903 /nfs/dbraw/zinc/76/99/03/487769903.db2.gz CXUOXFGFLDFJMF-PWSUYJOCSA-N 1 2 249.358 2.803 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC12CCC2 ZINC000309874978 487779859 /nfs/dbraw/zinc/77/98/59/487779859.db2.gz SGXKKUGJRULOKK-LLVKDONJSA-N 1 2 218.300 2.835 20 0 BFADLO CC[C@@](C)(NC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000666493481 487820752 /nfs/dbraw/zinc/82/07/52/487820752.db2.gz FWWZZDKXPSBTIC-CQSZACIVSA-N 1 2 247.342 2.512 20 0 BFADLO CC(C)OCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494207063 527938063 /nfs/dbraw/zinc/93/80/63/527938063.db2.gz AXVRYKDCVTWHGX-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)OCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494207063 527938066 /nfs/dbraw/zinc/93/80/66/527938066.db2.gz AXVRYKDCVTWHGX-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO FC(F)(F)CSc1[nH+]cc2ccccn21 ZINC000079078095 322957486 /nfs/dbraw/zinc/95/74/86/322957486.db2.gz IDJVXJJFLKUZCZ-UHFFFAOYSA-N 1 2 232.230 2.989 20 0 BFADLO COC[C@H](C)Nc1[nH+]ccc2c(OC)cccc21 ZINC000234727889 487868441 /nfs/dbraw/zinc/86/84/41/487868441.db2.gz BACOZGQYYIRIPI-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO COc1ccccc1/C=C/C[NH2+]CC(C)(F)F ZINC000559323992 322962962 /nfs/dbraw/zinc/96/29/62/322962962.db2.gz LFIHXEMKEBRYNB-FNORWQNLSA-N 1 2 241.281 2.953 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)n1 ZINC000047960328 487881248 /nfs/dbraw/zinc/88/12/48/487881248.db2.gz WFUXESUZCLNZLT-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)n1 ZINC000047960328 487881252 /nfs/dbraw/zinc/88/12/52/487881252.db2.gz WFUXESUZCLNZLT-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO c1sc(C2CC2)nc1C[N@H+]1CC=CCC1 ZINC000679323678 487904861 /nfs/dbraw/zinc/90/48/61/487904861.db2.gz TUQZXLYRUHJZKE-UHFFFAOYSA-N 1 2 220.341 2.782 20 0 BFADLO c1sc(C2CC2)nc1C[N@@H+]1CC=CCC1 ZINC000679323678 487904864 /nfs/dbraw/zinc/90/48/64/487904864.db2.gz TUQZXLYRUHJZKE-UHFFFAOYSA-N 1 2 220.341 2.782 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2cscn2)c1 ZINC000652330950 487920950 /nfs/dbraw/zinc/92/09/50/487920950.db2.gz TYCBAJLQBSYWNW-SECBINFHSA-N 1 2 249.339 2.858 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2ccncc2)c1 ZINC000652330933 487921033 /nfs/dbraw/zinc/92/10/33/487921033.db2.gz SWDNDVGPXKGQTG-NSHDSACASA-N 1 2 243.310 2.796 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2cccn2C)c1 ZINC000404575453 487927448 /nfs/dbraw/zinc/92/74/48/487927448.db2.gz KUKJQXOVOQKJHF-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1cccc([C@H](C)[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676792660 487928823 /nfs/dbraw/zinc/92/88/23/487928823.db2.gz FQGLEXSRZQIULX-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1cccc([C@H](C)[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676792660 487928827 /nfs/dbraw/zinc/92/88/27/487928827.db2.gz FQGLEXSRZQIULX-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO CC1(C)C[C@@H](Nc2ccc3ccccc3[nH+]2)CO1 ZINC000396484808 487936137 /nfs/dbraw/zinc/93/61/37/487936137.db2.gz AMLFUJLTJRAQNB-GFCCVEGCSA-N 1 2 242.322 2.636 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ncc(C)s2)o1 ZINC000150849696 323000337 /nfs/dbraw/zinc/00/03/37/323000337.db2.gz DFTGSFOPXFYPMC-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cn1c2c(cccc2Cl)[nH]c1=[NH+]CC1(C)CC1 ZINC000561435943 323001546 /nfs/dbraw/zinc/00/15/46/323001546.db2.gz OIFAFWYMQYZFHH-UHFFFAOYSA-N 1 2 249.745 2.861 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000561494125 323002905 /nfs/dbraw/zinc/00/29/05/323002905.db2.gz RZOGIGCPVLEFDW-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000562690946 323027317 /nfs/dbraw/zinc/02/73/17/323027317.db2.gz FAJBXVCAPCYCFW-QWHCGFSZSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000562690945 323027344 /nfs/dbraw/zinc/02/73/44/323027344.db2.gz FAJBXVCAPCYCFW-OLZOCXBDSA-N 1 2 246.354 2.885 20 0 BFADLO CCn1ccnc1C[NH+]1CC2(C1)CCCCC2 ZINC000562685739 323027631 /nfs/dbraw/zinc/02/76/31/323027631.db2.gz YKQHMWSRQZLVCC-UHFFFAOYSA-N 1 2 233.359 2.669 20 0 BFADLO CC1(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000564747894 323027682 /nfs/dbraw/zinc/02/76/82/323027682.db2.gz PRVFXYDCZSMYRN-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO Cc1nc(NCc2cc3ccccc3o2)cc[nH+]1 ZINC000525706811 323039781 /nfs/dbraw/zinc/03/97/81/323039781.db2.gz MNJDCQQNGUPWEH-UHFFFAOYSA-N 1 2 239.278 2.565 20 0 BFADLO C[C@@H](C1CC1)[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608042 323077392 /nfs/dbraw/zinc/07/73/92/323077392.db2.gz UVQVTHIANHQXLM-VIFPVBQESA-N 1 2 247.342 2.710 20 0 BFADLO C[C@@H](C1CC1)[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608042 323077393 /nfs/dbraw/zinc/07/73/93/323077393.db2.gz UVQVTHIANHQXLM-VIFPVBQESA-N 1 2 247.342 2.710 20 0 BFADLO C/C=C/C=C\C(=O)Nc1c(C)cc[nH+]c1C ZINC000493857873 323087483 /nfs/dbraw/zinc/08/74/83/323087483.db2.gz QXQIGLYWRHNGLV-DEQVHDEQSA-N 1 2 216.284 2.769 20 0 BFADLO C[C@H](CC(=O)N[C@H]1CCC(C)(C)C1)n1cc[nH+]c1 ZINC000563217621 323103932 /nfs/dbraw/zinc/10/39/32/323103932.db2.gz OAODSAQUKSKUQM-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO CO[C@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000531765296 323112717 /nfs/dbraw/zinc/11/27/17/323112717.db2.gz WAWXMYAFLAODAB-ZDUSSCGKSA-N 1 2 242.322 2.768 20 0 BFADLO CCC1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000563548734 323129809 /nfs/dbraw/zinc/12/98/09/323129809.db2.gz LKIMDYMEGILUQK-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1ccc(NC(=O)N(C)[C@H](C)C2CC2)c(C)[nH+]1 ZINC000152266021 323134605 /nfs/dbraw/zinc/13/46/05/323134605.db2.gz CPNWHEWDXOOQAO-LLVKDONJSA-N 1 2 247.342 2.961 20 0 BFADLO CCOC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC000571643554 323150701 /nfs/dbraw/zinc/15/07/01/323150701.db2.gz UIRGXVPZXIYMAV-UHFFFAOYSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccoc1 ZINC000531949286 323156198 /nfs/dbraw/zinc/15/61/98/323156198.db2.gz BDXKKDOSAVDVPX-VIFPVBQESA-N 1 2 247.323 2.840 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccc(C)o2)on1 ZINC000531976577 323162085 /nfs/dbraw/zinc/16/20/85/323162085.db2.gz QEPLCXITEMBMHY-SNVBAGLBSA-N 1 2 234.299 2.989 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2[nH+]c3ccccc3n2C)C1 ZINC000534974340 323162381 /nfs/dbraw/zinc/16/23/81/323162381.db2.gz LZPFMZAKKJCBAZ-MNOVXSKESA-N 1 2 229.327 2.808 20 0 BFADLO CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000535036653 323164360 /nfs/dbraw/zinc/16/43/60/323164360.db2.gz ZVCGVEMGXZZHKQ-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO Cc1cc(NC(=O)N2CCCC2(C)C)c(C)c[nH+]1 ZINC000535059419 323164880 /nfs/dbraw/zinc/16/48/80/323164880.db2.gz HTPHSEKCBCMZSJ-UHFFFAOYSA-N 1 2 247.342 2.527 20 0 BFADLO Cc1cscc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536575180 323198016 /nfs/dbraw/zinc/19/80/16/323198016.db2.gz HEZVSJOJXINOLQ-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Cc1cc(NC(=O)N2[C@H](C)CC[C@H]2C)c(C)c[nH+]1 ZINC000536618284 323198700 /nfs/dbraw/zinc/19/87/00/323198700.db2.gz CJRQZERSEKPJOW-VXGBXAGGSA-N 1 2 247.342 2.525 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536621431 323198882 /nfs/dbraw/zinc/19/88/82/323198882.db2.gz VDNFYFLQUNBDQS-GFCCVEGCSA-N 1 2 249.358 2.773 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+](C1CC1)C1CCCC1 ZINC000103465989 323249942 /nfs/dbraw/zinc/24/99/42/323249942.db2.gz SPIWOLXLYNESKJ-UHFFFAOYSA-N 1 2 247.342 2.854 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+](C1CC1)C1CCCC1 ZINC000103465989 323249938 /nfs/dbraw/zinc/24/99/38/323249938.db2.gz SPIWOLXLYNESKJ-UHFFFAOYSA-N 1 2 247.342 2.854 20 0 BFADLO c1[nH+]c(SC[C@H]2CCCOC2)n2ccccc12 ZINC000532386315 323258540 /nfs/dbraw/zinc/25/85/40/323258540.db2.gz VWBUFLSYBRLBCQ-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cc2c(s1)CCC2 ZINC000532515616 323272314 /nfs/dbraw/zinc/27/23/14/323272314.db2.gz WKOGKNOPWCWHCK-VIFPVBQESA-N 1 2 247.367 2.811 20 0 BFADLO c1cc2c(cccc2CNc2c[nH]c[nH+]2)[nH]1 ZINC000309309518 323342137 /nfs/dbraw/zinc/34/21/37/323342137.db2.gz BNSQJJODRPQYNJ-UHFFFAOYSA-N 1 2 212.256 2.503 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccon1 ZINC000572231727 323575244 /nfs/dbraw/zinc/57/52/44/323575244.db2.gz FUUSXXAURDFTFM-JOYOIKCWSA-N 1 2 232.283 2.996 20 0 BFADLO Cc1cc(NCC2COC2)c2cccc(F)c2[nH+]1 ZINC000528225119 323784943 /nfs/dbraw/zinc/78/49/43/323784943.db2.gz DXLNMWYTSJPNGQ-UHFFFAOYSA-N 1 2 246.285 2.741 20 0 BFADLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1 ZINC000537100283 324008809 /nfs/dbraw/zinc/00/88/09/324008809.db2.gz MXXQACGZKJGCTR-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO CCn1cc[nH+]c1CNc1ccccc1N(C)C ZINC000060392869 324033225 /nfs/dbraw/zinc/03/32/25/324033225.db2.gz GMFBBLVFLLZLEB-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000073261475 324111013 /nfs/dbraw/zinc/11/10/13/324111013.db2.gz MNLFZJQPZCUEIM-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000073261475 324111015 /nfs/dbraw/zinc/11/10/15/324111015.db2.gz MNLFZJQPZCUEIM-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000129241674 324931032 /nfs/dbraw/zinc/93/10/32/324931032.db2.gz MKOUCFYSVDYDJB-GWCFXTLKSA-N 1 2 218.300 2.765 20 0 BFADLO COc1cc(C)[nH+]c(CSC[C@@H](C)OC)c1 ZINC000542934120 325064366 /nfs/dbraw/zinc/06/43/66/325064366.db2.gz DNHVWSMXVKINKI-SNVBAGLBSA-N 1 2 241.356 2.667 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccoc1 ZINC000131244199 325128928 /nfs/dbraw/zinc/12/89/28/325128928.db2.gz HVAOOPXUFRQRMR-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000544513876 325145000 /nfs/dbraw/zinc/14/50/00/325145000.db2.gz UZJWHIICBVTCET-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000131634254 325172223 /nfs/dbraw/zinc/17/22/23/325172223.db2.gz IIXUEGQDGSDOGB-AWEZNQCLSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000131634254 325172226 /nfs/dbraw/zinc/17/22/26/325172226.db2.gz IIXUEGQDGSDOGB-AWEZNQCLSA-N 1 2 237.318 2.827 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1(C)CCCCC1 ZINC000131685999 325177918 /nfs/dbraw/zinc/17/79/18/325177918.db2.gz NGRCUHBYOQNWGB-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO Cc1cc(NC(=O)c2cc(Cl)c[nH]2)cc[nH+]1 ZINC000073069418 325187486 /nfs/dbraw/zinc/18/74/86/325187486.db2.gz YXQVQPFGWHIEAJ-UHFFFAOYSA-N 1 2 235.674 2.624 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000131953469 325192860 /nfs/dbraw/zinc/19/28/60/325192860.db2.gz TVVJBPOAFYGPCF-CQSZACIVSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000131953469 325192862 /nfs/dbraw/zinc/19/28/62/325192862.db2.gz TVVJBPOAFYGPCF-CQSZACIVSA-N 1 2 237.318 2.827 20 0 BFADLO CC1(C)CC(CNc2cc[nH+]c3ccncc23)C1 ZINC000548365859 325450858 /nfs/dbraw/zinc/45/08/58/325450858.db2.gz HSMDOIRGPCGRNI-UHFFFAOYSA-N 1 2 241.338 2.900 20 0 BFADLO Cc1coc(C)c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000550716128 325538030 /nfs/dbraw/zinc/53/80/30/325538030.db2.gz ZSYZQXWXXDRCNJ-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1O ZINC000550871257 325541799 /nfs/dbraw/zinc/54/17/99/325541799.db2.gz PJTZTOWONNGEKF-MRVPVSSYSA-N 1 2 245.269 2.707 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2nccs2)n1 ZINC000083143315 325559534 /nfs/dbraw/zinc/55/95/34/325559534.db2.gz AGCIAOWGXAWVLU-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CCOc1ccc(CNc2c[nH]c[nH+]2)cc1F ZINC000555104387 325746516 /nfs/dbraw/zinc/74/65/16/325746516.db2.gz JEZXAUSGBOLPFB-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO CCn1ccnc1CNc1ccc(C)[nH+]c1C ZINC000094664691 325778762 /nfs/dbraw/zinc/77/87/62/325778762.db2.gz WYLRKFHDPBQIGI-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C)c(C)c[nH+]1 ZINC000564867646 325820630 /nfs/dbraw/zinc/82/06/30/325820630.db2.gz IVJLRUGSFOHQFR-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO C[C@@H](CC(=O)N[C@H]1CCCC1(C)C)n1cc[nH+]c1 ZINC000565049212 325851970 /nfs/dbraw/zinc/85/19/70/325851970.db2.gz ZEOXYYPLKZDNGU-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1c([C@H](C)[NH2+]Cc2cocn2)cnn1C(C)C ZINC000682497628 487971044 /nfs/dbraw/zinc/97/10/44/487971044.db2.gz JESCUBCXPGENMM-JTQLQIEISA-N 1 2 248.330 2.611 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccnc(OC)c1)C(F)F ZINC000566474401 326053595 /nfs/dbraw/zinc/05/35/95/326053595.db2.gz GANUVMFWLVRZSV-PSASIEDQSA-N 1 2 244.285 2.785 20 0 BFADLO CC(C)[C@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000566953175 326096372 /nfs/dbraw/zinc/09/63/72/326096372.db2.gz USKLLOJWCPNUOP-JTQLQIEISA-N 1 2 244.342 2.523 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567032563 326103722 /nfs/dbraw/zinc/10/37/22/326103722.db2.gz XDBHHMCODNQKIA-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO CCOCCN(C)c1[nH+]ccc2cc(F)ccc21 ZINC000567230480 326147038 /nfs/dbraw/zinc/14/70/38/326147038.db2.gz ZRHFFFMJVXIVBO-UHFFFAOYSA-N 1 2 248.301 2.847 20 0 BFADLO CC(C)Oc1ccccc1CNc1c[nH]c[nH+]1 ZINC000567850938 326270633 /nfs/dbraw/zinc/27/06/33/326270633.db2.gz JDKDJMYPUQOFKV-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO CCCCCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000158620893 326333369 /nfs/dbraw/zinc/33/33/69/326333369.db2.gz TYKZUQIBIDNZTF-CMDGGOBGSA-N 1 2 249.358 2.613 20 0 BFADLO Cc1cccc(CCSc2nncs2)[nH+]1 ZINC000568510606 326361490 /nfs/dbraw/zinc/36/14/90/326361490.db2.gz VRFLMCJGQGLPDJ-UHFFFAOYSA-N 1 2 237.353 2.576 20 0 BFADLO CC(C)(C)CCC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545451 487983817 /nfs/dbraw/zinc/98/38/17/487983817.db2.gz ZTZZKGLBXUCUKK-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545451 487983821 /nfs/dbraw/zinc/98/38/21/487983821.db2.gz ZTZZKGLBXUCUKK-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[C@H](CC)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546134 487984633 /nfs/dbraw/zinc/98/46/33/487984633.db2.gz HOLOQHQGJPSMPA-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO CCCC[C@H](CC)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546134 487984637 /nfs/dbraw/zinc/98/46/37/487984637.db2.gz HOLOQHQGJPSMPA-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO FC(F)C[NH2+]Cc1ccccc1C1CC1 ZINC000147262705 487988818 /nfs/dbraw/zinc/98/88/18/487988818.db2.gz BPSYQXXXSYOMBX-UHFFFAOYSA-N 1 2 211.255 2.919 20 0 BFADLO Cc1cc(C[NH2+]CC(F)F)c(C)s1 ZINC000147292302 487995226 /nfs/dbraw/zinc/99/52/26/487995226.db2.gz UNBKRTUTTFAOPO-UHFFFAOYSA-N 1 2 205.273 2.720 20 0 BFADLO CCC[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000672159039 487996023 /nfs/dbraw/zinc/99/60/23/487996023.db2.gz GRQOKXMXBMWYPN-NSHDSACASA-N 1 2 234.347 2.677 20 0 BFADLO CCC[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000672159039 487996028 /nfs/dbraw/zinc/99/60/28/487996028.db2.gz GRQOKXMXBMWYPN-NSHDSACASA-N 1 2 234.347 2.677 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H](C)C2CCC2)[nH+]1 ZINC000677308648 488013638 /nfs/dbraw/zinc/01/36/38/488013638.db2.gz LCSBWDYIXROYTG-MRVPVSSYSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1cc(N2CCC3(CCC3)CC2)nc[nH+]1 ZINC000672329828 488014392 /nfs/dbraw/zinc/01/43/92/488014392.db2.gz UTCJIILAYMSAOJ-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CCC(C)C ZINC000121064683 490074485 /nfs/dbraw/zinc/07/44/85/490074485.db2.gz IGLVNYOZMVBRIP-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)[nH]1 ZINC000074958362 488031734 /nfs/dbraw/zinc/03/17/34/488031734.db2.gz HENFTUZTGWOFFZ-UHFFFAOYSA-N 1 2 229.283 2.587 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2nccs2)c1 ZINC000682779303 488039271 /nfs/dbraw/zinc/03/92/71/488039271.db2.gz XSSQTQYRTDZGGJ-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2nccs2)c1 ZINC000682779303 488039278 /nfs/dbraw/zinc/03/92/78/488039278.db2.gz XSSQTQYRTDZGGJ-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCC[C@@H](C(C)C)C1 ZINC000656174329 488059348 /nfs/dbraw/zinc/05/93/48/488059348.db2.gz UMVUTJWWNBYIPV-GFCCVEGCSA-N 1 2 249.358 2.666 20 0 BFADLO CC(C)(C)C1=CC[N@H+](CC(F)F)CC1 ZINC000677561214 488073784 /nfs/dbraw/zinc/07/37/84/488073784.db2.gz JZOXZZYYOWTXSW-UHFFFAOYSA-N 1 2 203.276 2.930 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](CC(F)F)CC1 ZINC000677561214 488073788 /nfs/dbraw/zinc/07/37/88/488073788.db2.gz JZOXZZYYOWTXSW-UHFFFAOYSA-N 1 2 203.276 2.930 20 0 BFADLO COC[C@@H](C)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000674065406 488097450 /nfs/dbraw/zinc/09/74/50/488097450.db2.gz SXAHXTNWJSINDO-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO CCc1cc(N[C@@H]2CCCC[C@H]2F)nc[nH+]1 ZINC000378662655 488098941 /nfs/dbraw/zinc/09/89/41/488098941.db2.gz CPSWITBDRQGRHD-GHMZBOCLSA-N 1 2 223.295 2.732 20 0 BFADLO c1nc(C[NH+]2CC(Cc3ccccc3)C2)cs1 ZINC000677716672 488098636 /nfs/dbraw/zinc/09/86/36/488098636.db2.gz FQLRLQJMMNUYBQ-UHFFFAOYSA-N 1 2 244.363 2.818 20 0 BFADLO Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000378906281 488111067 /nfs/dbraw/zinc/11/10/67/488111067.db2.gz FMWXNBSORLXPPY-KGYLQXTDSA-N 1 2 202.301 2.991 20 0 BFADLO FC(F)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677733897 488112751 /nfs/dbraw/zinc/11/27/51/488112751.db2.gz WAWDQGARRSTYSV-VIFPVBQESA-N 1 2 242.269 2.639 20 0 BFADLO FC(F)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000677733897 488112757 /nfs/dbraw/zinc/11/27/57/488112757.db2.gz WAWDQGARRSTYSV-VIFPVBQESA-N 1 2 242.269 2.639 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)C2CCC2)cc[nH+]1 ZINC000119313431 487539942 /nfs/dbraw/zinc/53/99/42/487539942.db2.gz DYXLRDCNHLEHPM-JTQLQIEISA-N 1 2 233.315 2.700 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2oc(C)nc2C)o1 ZINC000685560948 487543364 /nfs/dbraw/zinc/54/33/64/487543364.db2.gz OVJHHZXQTBKOBH-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2oc(C)nc2C)o1 ZINC000685560948 487543367 /nfs/dbraw/zinc/54/33/67/487543367.db2.gz OVJHHZXQTBKOBH-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO CC[C@H](C)CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000680201172 487546391 /nfs/dbraw/zinc/54/63/91/487546391.db2.gz XBKQAFLWJXFFDJ-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CC[C@H](C)CCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000680201172 487546394 /nfs/dbraw/zinc/54/63/94/487546394.db2.gz XBKQAFLWJXFFDJ-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CC[C@@H](C)CCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000680201170 487546628 /nfs/dbraw/zinc/54/66/28/487546628.db2.gz XBKQAFLWJXFFDJ-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CC[C@@H](C)CCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000680201170 487546634 /nfs/dbraw/zinc/54/66/34/487546634.db2.gz XBKQAFLWJXFFDJ-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO COc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000382183786 487533298 /nfs/dbraw/zinc/53/32/98/487533298.db2.gz AMXNDKSDYXDUOB-MVWJERBFSA-N 1 2 218.300 2.691 20 0 BFADLO Cn1cc[nH+]c1CN1CC[C@@H]1c1cccc(F)c1 ZINC000674008868 487497860 /nfs/dbraw/zinc/49/78/60/487497860.db2.gz DOMYHUXZLUOFDH-CYBMUJFWSA-N 1 2 245.301 2.506 20 0 BFADLO CCc1cc(NC[C@H](C)c2ccncc2)nc[nH+]1 ZINC000674066342 487507627 /nfs/dbraw/zinc/50/76/27/487507627.db2.gz JGMDLXOCEQMKHE-NSHDSACASA-N 1 2 242.326 2.650 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000685412266 487517508 /nfs/dbraw/zinc/51/75/08/487517508.db2.gz XKFZQRNJXZYYPR-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000685412266 487517511 /nfs/dbraw/zinc/51/75/11/487517511.db2.gz XKFZQRNJXZYYPR-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1noc(C[NH2+][C@H](C)c2ccsc2)n1 ZINC000381749868 487521480 /nfs/dbraw/zinc/52/14/80/487521480.db2.gz QVVGQWUBBQYGAQ-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO FC1(F)CCC[N@H+](CCc2ccccc2)C1 ZINC000259256362 488155804 /nfs/dbraw/zinc/15/58/04/488155804.db2.gz IWCBXAZFAPADNE-UHFFFAOYSA-N 1 2 225.282 2.960 20 0 BFADLO FC1(F)CCC[N@@H+](CCc2ccccc2)C1 ZINC000259256362 488155806 /nfs/dbraw/zinc/15/58/06/488155806.db2.gz IWCBXAZFAPADNE-UHFFFAOYSA-N 1 2 225.282 2.960 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685927470 487598380 /nfs/dbraw/zinc/59/83/80/487598380.db2.gz ZRURAOQTWBKBEV-ZJUUUORDSA-N 1 2 237.347 2.609 20 0 BFADLO CC[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)OC ZINC000685929085 487598410 /nfs/dbraw/zinc/59/84/10/487598410.db2.gz IFHTZINOEXQEAO-JTQLQIEISA-N 1 2 237.347 2.611 20 0 BFADLO Fc1cc(F)c(C[NH+]2CC3(CC3)C2)cc1F ZINC000335382716 487621679 /nfs/dbraw/zinc/62/16/79/487621679.db2.gz CPYPSEXJZUOOQT-UHFFFAOYSA-N 1 2 227.229 2.700 20 0 BFADLO CCc1cc(N[C@H](C(C)C)C2CC2)nc[nH+]1 ZINC000324478864 487622605 /nfs/dbraw/zinc/62/26/05/487622605.db2.gz BNSBQYXTSAHCMD-CYBMUJFWSA-N 1 2 219.332 2.886 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cc(C)ncn2)oc1C ZINC000669701613 487699059 /nfs/dbraw/zinc/69/90/59/487699059.db2.gz FVMFAVUEZSENKV-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc[nH+]c(NCc2[nH]nc3ccccc32)c1 ZINC000676198186 487820261 /nfs/dbraw/zinc/82/02/61/487820261.db2.gz AIUKVJMKBOZSDM-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1ccc(NCc2n[nH]c3ccccc23)c[nH+]1 ZINC000676239233 487827001 /nfs/dbraw/zinc/82/70/01/487827001.db2.gz NVKJWILNMSKHBK-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1[nH+]cccc1NCc1n[nH]c2ccccc12 ZINC000676494315 487857255 /nfs/dbraw/zinc/85/72/55/487857255.db2.gz FYUMTLGWUKJXQC-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO O=C(C[N@H+]1CC=CCC1)c1c[nH]c2ccccc12 ZINC000679324554 487905532 /nfs/dbraw/zinc/90/55/32/487905532.db2.gz WRLQGCWBNKKHIE-UHFFFAOYSA-N 1 2 240.306 2.613 20 0 BFADLO O=C(C[N@@H+]1CC=CCC1)c1c[nH]c2ccccc12 ZINC000679324554 487905538 /nfs/dbraw/zinc/90/55/38/487905538.db2.gz WRLQGCWBNKKHIE-UHFFFAOYSA-N 1 2 240.306 2.613 20 0 BFADLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@H](C)C3)cc21 ZINC000667492527 488026014 /nfs/dbraw/zinc/02/60/14/488026014.db2.gz MDDLLCWXQXEIMZ-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@H](C)C3)cc21 ZINC000667492527 488026018 /nfs/dbraw/zinc/02/60/18/488026018.db2.gz MDDLLCWXQXEIMZ-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCC1(O)CCC1 ZINC000396833530 488035623 /nfs/dbraw/zinc/03/56/23/488035623.db2.gz YEWIVQDPBRASRY-UHFFFAOYSA-N 1 2 235.327 2.721 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000666085327 488065110 /nfs/dbraw/zinc/06/51/10/488065110.db2.gz DRDXGRCSDRSBDM-SNVBAGLBSA-N 1 2 245.326 2.582 20 0 BFADLO C[C@@H](CNc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000677877901 488144732 /nfs/dbraw/zinc/14/47/32/488144732.db2.gz IEUASICEPNXXFV-VIFPVBQESA-N 1 2 242.326 2.670 20 0 BFADLO Cc1ccncc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000678408356 488150330 /nfs/dbraw/zinc/15/03/30/488150330.db2.gz IDMCFXGRMMBNRB-SNVBAGLBSA-N 1 2 228.299 2.662 20 0 BFADLO Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cocn2)cc1 ZINC000683352991 488151457 /nfs/dbraw/zinc/15/14/57/488151457.db2.gz PYXUWJVZSSYRLP-AWEZNQCLSA-N 1 2 244.294 2.717 20 0 BFADLO Oc1ccc([C@@H]2CCC[N@H+]2Cc2cocn2)cc1 ZINC000683352991 488151461 /nfs/dbraw/zinc/15/14/61/488151461.db2.gz PYXUWJVZSSYRLP-AWEZNQCLSA-N 1 2 244.294 2.717 20 0 BFADLO COCc1csc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000667953300 488167048 /nfs/dbraw/zinc/16/70/48/488167048.db2.gz VVGIBSKJXDMWPT-UHFFFAOYSA-N 1 2 241.331 2.954 20 0 BFADLO COCc1csc(C[N@H+]2CCC=C(F)C2)c1 ZINC000667953300 488167052 /nfs/dbraw/zinc/16/70/52/488167052.db2.gz VVGIBSKJXDMWPT-UHFFFAOYSA-N 1 2 241.331 2.954 20 0 BFADLO Cc1cc(NC(=O)N(C)CCC(C)C)c(C)c[nH+]1 ZINC000678097044 488197413 /nfs/dbraw/zinc/19/74/13/488197413.db2.gz MLWYEOWSCGVSBA-UHFFFAOYSA-N 1 2 249.358 2.630 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678127015 488201533 /nfs/dbraw/zinc/20/15/33/488201533.db2.gz ANXXDIKNSAHKCF-GWCFXTLKSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678127015 488201536 /nfs/dbraw/zinc/20/15/36/488201536.db2.gz ANXXDIKNSAHKCF-GWCFXTLKSA-N 1 2 245.326 2.758 20 0 BFADLO CC1=C(C)C[N@H+](Cc2cn(C3CCC3)nn2)CC1 ZINC000668097834 488203349 /nfs/dbraw/zinc/20/33/49/488203349.db2.gz WNONCSDBLOTVIJ-UHFFFAOYSA-N 1 2 246.358 2.545 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2cn(C3CCC3)nn2)CC1 ZINC000668097834 488203353 /nfs/dbraw/zinc/20/33/53/488203353.db2.gz WNONCSDBLOTVIJ-UHFFFAOYSA-N 1 2 246.358 2.545 20 0 BFADLO c1ccc(N2CCC(c3cccnc3)CC2)[nH+]c1 ZINC000678150860 488207530 /nfs/dbraw/zinc/20/75/30/488207530.db2.gz OZIAZOCLMADXFW-UHFFFAOYSA-N 1 2 239.322 2.861 20 0 BFADLO CCCN(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668153010 488210659 /nfs/dbraw/zinc/21/06/59/488210659.db2.gz DSTKRXVVOWCHMI-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO COC1(C)C[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000668173389 488213693 /nfs/dbraw/zinc/21/36/93/488213693.db2.gz GICUOSSPXJWBJX-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO Fc1c[nH+]ccc1NCc1cc2ccccc2[nH]1 ZINC000683924490 488245747 /nfs/dbraw/zinc/24/57/47/488245747.db2.gz WEXWJXSQLDRNMC-UHFFFAOYSA-N 1 2 241.269 2.736 20 0 BFADLO Cn1ccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000672230114 488246487 /nfs/dbraw/zinc/24/64/87/488246487.db2.gz HSRMDIPHFNSXAH-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO CCc1cc(NC2CCC(O)(CC)CC2)nc[nH+]1 ZINC000678481535 488259932 /nfs/dbraw/zinc/25/99/32/488259932.db2.gz LFNRBVGXQCIUGC-UHFFFAOYSA-N 1 2 249.358 2.535 20 0 BFADLO CC[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678788976 488283404 /nfs/dbraw/zinc/28/34/04/488283404.db2.gz RMLQXSXRVVSMAR-JTQLQIEISA-N 1 2 208.280 2.847 20 0 BFADLO COc1ccccc1CN(C)c1cc[nH+]cc1F ZINC000678789330 488284122 /nfs/dbraw/zinc/28/41/22/488284122.db2.gz YCZJCPUYYXWVJX-UHFFFAOYSA-N 1 2 246.285 2.866 20 0 BFADLO CCc1cc(NC[C@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000684655664 488336731 /nfs/dbraw/zinc/33/67/31/488336731.db2.gz RLIOWTFIDCSLOW-VIFPVBQESA-N 1 2 241.285 2.886 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc2c(c1)COC2 ZINC000679047685 488304800 /nfs/dbraw/zinc/30/48/00/488304800.db2.gz JLBRZFTXXDJSGB-JTQLQIEISA-N 1 2 244.294 2.556 20 0 BFADLO CCCC[C@H](COC)Nc1ccc(OC)c[nH+]1 ZINC000679069113 488305525 /nfs/dbraw/zinc/30/55/25/488305525.db2.gz BYYXIPISALROIN-LLVKDONJSA-N 1 2 238.331 2.707 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)Cc1ccncc1 ZINC000679087875 488307341 /nfs/dbraw/zinc/30/73/41/488307341.db2.gz DSYVQWYIJVMFLF-NSHDSACASA-N 1 2 243.310 2.528 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1ccncc1Cl ZINC000673857501 488310149 /nfs/dbraw/zinc/31/01/49/488310149.db2.gz UHTBBBFKWSRLKJ-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccncc1Cl ZINC000673857501 488310151 /nfs/dbraw/zinc/31/01/51/488310151.db2.gz UHTBBBFKWSRLKJ-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3cccnc3c2)no1 ZINC000673886555 488311272 /nfs/dbraw/zinc/31/12/72/488311272.db2.gz WRIAWCYIDSUIHH-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO Cc1csc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679220867 488319404 /nfs/dbraw/zinc/31/94/04/488319404.db2.gz JYIAQFVCXSSWJN-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679220867 488319405 /nfs/dbraw/zinc/31/94/05/488319405.db2.gz JYIAQFVCXSSWJN-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO Cn1cc[nH+]c1CN1CCCCc2sccc21 ZINC000684771542 488341171 /nfs/dbraw/zinc/34/11/71/488341171.db2.gz DJSDUDXMWSIOAR-UHFFFAOYSA-N 1 2 247.367 2.825 20 0 BFADLO Clc1ccc2ncc(C[N@H+]3CC=CCC3)n2c1 ZINC000679358078 488344373 /nfs/dbraw/zinc/34/43/73/488344373.db2.gz AUKAZHHOPQBSMP-UHFFFAOYSA-N 1 2 247.729 2.750 20 0 BFADLO Clc1ccc2ncc(C[N@@H+]3CC=CCC3)n2c1 ZINC000679358078 488344374 /nfs/dbraw/zinc/34/43/74/488344374.db2.gz AUKAZHHOPQBSMP-UHFFFAOYSA-N 1 2 247.729 2.750 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1cocn1)c1ccc(F)cn1 ZINC000679390783 488349671 /nfs/dbraw/zinc/34/96/71/488349671.db2.gz DGIQVWLDTPUDCI-ZDUSSCGKSA-N 1 2 249.289 2.696 20 0 BFADLO COC1(CNc2cc[nH+]c(C(C)(C)C)n2)CCC1 ZINC000679467681 488352893 /nfs/dbraw/zinc/35/28/93/488352893.db2.gz RSMWSMNWZORNQZ-UHFFFAOYSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679474960 488353455 /nfs/dbraw/zinc/35/34/55/488353455.db2.gz MGGYRJHUEJQALC-WDEREUQCSA-N 1 2 245.326 2.955 20 0 BFADLO FC(F)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000679541877 488357401 /nfs/dbraw/zinc/35/74/01/488357401.db2.gz QLDKSVCBXGOVDZ-NSHDSACASA-N 1 2 241.281 2.652 20 0 BFADLO FC(F)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000679541877 488357402 /nfs/dbraw/zinc/35/74/02/488357402.db2.gz QLDKSVCBXGOVDZ-NSHDSACASA-N 1 2 241.281 2.652 20 0 BFADLO CCn1nccc1C[N@H+](C)Cc1ccsc1 ZINC000120472170 490062276 /nfs/dbraw/zinc/06/22/76/490062276.db2.gz AEFXFYNPZGDRLL-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1nccc1C[N@@H+](C)Cc1ccsc1 ZINC000120472170 490062281 /nfs/dbraw/zinc/06/22/81/490062281.db2.gz AEFXFYNPZGDRLL-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cncnc1 ZINC000129709183 490163218 /nfs/dbraw/zinc/16/32/18/490163218.db2.gz KLOXCFVWROIJIJ-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cncnc1 ZINC000129709183 490163224 /nfs/dbraw/zinc/16/32/24/490163224.db2.gz KLOXCFVWROIJIJ-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cncnc1 ZINC000129708962 490163440 /nfs/dbraw/zinc/16/34/40/490163440.db2.gz KLOXCFVWROIJIJ-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cncnc1 ZINC000129708962 490163447 /nfs/dbraw/zinc/16/34/47/490163447.db2.gz KLOXCFVWROIJIJ-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO COC[C@H](CC(C)(C)C)[NH2+]C1(C(F)F)CC1 ZINC000652196811 490170229 /nfs/dbraw/zinc/17/02/29/490170229.db2.gz FCFSPCRFXWGIEN-VIFPVBQESA-N 1 2 235.318 2.825 20 0 BFADLO Clc1ccc(C[NH2+]Cc2cscn2)o1 ZINC000070166512 490201036 /nfs/dbraw/zinc/20/10/36/490201036.db2.gz XDMMVIKDDHJVTL-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1nccn1C ZINC000070445004 490212677 /nfs/dbraw/zinc/21/26/77/490212677.db2.gz AHVSHOJNAAXUNV-WDEREUQCSA-N 1 2 247.317 2.971 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1nccn1C ZINC000070445002 490212691 /nfs/dbraw/zinc/21/26/91/490212691.db2.gz AHVSHOJNAAXUNV-QWRGUYRKSA-N 1 2 247.317 2.971 20 0 BFADLO CC(C)(C)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000126861969 490523109 /nfs/dbraw/zinc/52/31/09/490523109.db2.gz AKPULQGVYDCFBS-UHFFFAOYSA-N 1 2 230.315 2.725 20 0 BFADLO COc1ccc[nH+]c1NCCc1ccccc1F ZINC000127731029 490555359 /nfs/dbraw/zinc/55/53/59/490555359.db2.gz SHADNQXQCZGDPP-UHFFFAOYSA-N 1 2 246.285 2.884 20 0 BFADLO C[C@@H]1CC[C@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000300345802 490557129 /nfs/dbraw/zinc/55/71/29/490557129.db2.gz KRKLJKRLKAGYOG-SFYZADRCSA-N 1 2 240.738 2.560 20 0 BFADLO Cc1noc(C)c1CNc1ccc(C)[nH+]c1 ZINC000128033019 490569148 /nfs/dbraw/zinc/56/91/48/490569148.db2.gz HPLIDOCQQQGYMR-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cnc(C[NH2+]Cc2sccc2C)o1 ZINC000227084431 491054836 /nfs/dbraw/zinc/05/48/36/491054836.db2.gz KDABOTCYEAEFHO-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1cc[nH+]cc1NCc1cn2ccccc2n1 ZINC000088627223 491075921 /nfs/dbraw/zinc/07/59/21/491075921.db2.gz XGVYFSSMSPAOLN-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831108 491080290 /nfs/dbraw/zinc/08/02/90/491080290.db2.gz XMLSBKQPJOSXDP-SKDRFNHKSA-N 1 2 241.294 2.671 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccncc2)o1 ZINC000228563387 491095920 /nfs/dbraw/zinc/09/59/20/491095920.db2.gz HHVQOIOUONKHGX-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cn1cncc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000293194472 491114099 /nfs/dbraw/zinc/11/40/99/491114099.db2.gz XJGSHZUPQCGFOR-UHFFFAOYSA-N 1 2 242.326 2.695 20 0 BFADLO CCc1cc(NC[C@@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000230432529 491130104 /nfs/dbraw/zinc/13/01/04/491130104.db2.gz MEZDHOFLQSIQJM-GHMZBOCLSA-N 1 2 219.332 2.887 20 0 BFADLO CCc1cc(NC2Cc3ccccc3C2)nc[nH+]1 ZINC000231039157 491131532 /nfs/dbraw/zinc/13/15/32/491131532.db2.gz CCHUNWANFRAUDI-UHFFFAOYSA-N 1 2 239.322 2.618 20 0 BFADLO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccon1 ZINC000132426483 491135942 /nfs/dbraw/zinc/13/59/42/491135942.db2.gz UKQKGEZUVFLWCS-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO CC(C)(CO)[C@@H]([NH2+]CC(F)F)c1cccs1 ZINC000309531451 491150422 /nfs/dbraw/zinc/15/04/22/491150422.db2.gz BUPMFVREWJKWQK-JTQLQIEISA-N 1 2 249.326 2.662 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000309742231 491155810 /nfs/dbraw/zinc/15/58/10/491155810.db2.gz DNNSLTHHKUTJGN-WCBMZHEXSA-N 1 2 217.272 2.738 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000224402721 535491556 /nfs/dbraw/zinc/49/15/56/535491556.db2.gz UFVVRMYIECLGMC-ZDUSSCGKSA-N 1 2 247.338 2.681 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000488321937 533730397 /nfs/dbraw/zinc/73/03/97/533730397.db2.gz QKBYKMFTOFTSKX-VXGBXAGGSA-N 1 2 227.311 2.940 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)/C=C\C(C)(C)C)c2[nH+]ccn21 ZINC000493449780 533906182 /nfs/dbraw/zinc/90/61/82/533906182.db2.gz HMNFJSXMNRSNBF-MXFLAHGMSA-N 1 2 247.342 2.607 20 0 BFADLO C[C@@H]1C[C@H]1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000488442522 534022673 /nfs/dbraw/zinc/02/26/73/534022673.db2.gz NERNKFRZOYRSNG-OLZOCXBDSA-N 1 2 245.370 2.562 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000348258354 535823634 /nfs/dbraw/zinc/82/36/34/535823634.db2.gz AJPLEZYDTWESSW-KWCYVHTRSA-N 1 2 247.338 2.679 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1F ZINC000172012901 535833509 /nfs/dbraw/zinc/83/35/09/535833509.db2.gz IXQOVTHIIJOHKQ-GFCCVEGCSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1F ZINC000172012901 535833514 /nfs/dbraw/zinc/83/35/14/535833514.db2.gz IXQOVTHIIJOHKQ-GFCCVEGCSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](C)C(F)(F)C2)O1 ZINC000494220615 534159510 /nfs/dbraw/zinc/15/95/10/534159510.db2.gz RERFLVPKHGZJTF-AXFHLTTASA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](C)C(F)(F)C2)O1 ZINC000494220615 534159520 /nfs/dbraw/zinc/15/95/20/534159520.db2.gz RERFLVPKHGZJTF-AXFHLTTASA-N 1 2 233.302 2.531 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccoc2)o1 ZINC000891780255 582718941 /nfs/dbraw/zinc/71/89/41/582718941.db2.gz VRWXIRKLGKWJPX-UHFFFAOYSA-N 1 2 221.256 2.513 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCCCC1 ZINC000493481165 534801665 /nfs/dbraw/zinc/80/16/65/534801665.db2.gz LRINKMFOJMQOLZ-FPLPWBNLSA-N 1 2 247.342 2.606 20 0 BFADLO CC(C)c1nc(N2CCCC3(CC3)C2)cc[nH+]1 ZINC000302274993 534907239 /nfs/dbraw/zinc/90/72/39/534907239.db2.gz SRYNKKDGOGYQPE-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ncc[nH]1 ZINC000494274085 527533090 /nfs/dbraw/zinc/53/30/90/527533090.db2.gz NDXGTQYXAKZWQZ-JLHYYAGUSA-N 1 2 241.338 2.945 20 0 BFADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ncc[nH]1 ZINC000494274085 527533094 /nfs/dbraw/zinc/53/30/94/527533094.db2.gz NDXGTQYXAKZWQZ-JLHYYAGUSA-N 1 2 241.338 2.945 20 0 BFADLO CC(C)(C)C(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492848941 527614093 /nfs/dbraw/zinc/61/40/93/527614093.db2.gz ANZFFSZMMYJQEU-SREVYHEPSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)(C)CC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493704393 527648551 /nfs/dbraw/zinc/64/85/51/527648551.db2.gz HHGKUDWQOWIJAH-SREVYHEPSA-N 1 2 249.358 2.754 20 0 BFADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493791689 527770819 /nfs/dbraw/zinc/77/08/19/527770819.db2.gz OEEJDUCDFVDMBG-VOTSOKGWSA-N 1 2 247.342 2.652 20 0 BFADLO CC(C)C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494871233 528067805 /nfs/dbraw/zinc/06/78/05/528067805.db2.gz AIRYMESKIMAUGT-LBPRGKRZSA-N 1 2 236.363 2.672 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccc(CC)cc1)C(=O)OC ZINC000483824679 528226369 /nfs/dbraw/zinc/22/63/69/528226369.db2.gz SFANFSMITPHJEZ-AWEZNQCLSA-N 1 2 249.354 2.680 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(=O)OC ZINC000483825295 528227671 /nfs/dbraw/zinc/22/76/71/528227671.db2.gz SSZZQNHBFIUXKH-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCC(CC)(CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492981871 528631385 /nfs/dbraw/zinc/63/13/85/528631385.db2.gz JWQYWERJGGZLFP-FPLPWBNLSA-N 1 2 235.331 2.508 20 0 BFADLO CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493770199 528967178 /nfs/dbraw/zinc/96/71/78/528967178.db2.gz IXJVQXHJACQPGK-ABZNLYFFSA-N 1 2 249.358 2.754 20 0 BFADLO CCC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCC1 ZINC000493634087 528967444 /nfs/dbraw/zinc/96/74/44/528967444.db2.gz YIANBGCWASKTRQ-ABZNLYFFSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493105368 529266886 /nfs/dbraw/zinc/26/68/86/529266886.db2.gz LNZBFSOAFGCXBT-ABZNLYFFSA-N 1 2 247.342 2.604 20 0 BFADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000505604229 529310093 /nfs/dbraw/zinc/31/00/93/529310093.db2.gz DWDATJWVYMXFCJ-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000505604229 529310095 /nfs/dbraw/zinc/31/00/95/529310095.db2.gz DWDATJWVYMXFCJ-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO CC(C)[NH+](Cc1noc(C2CC2)n1)C(C)C ZINC000183019004 535122482 /nfs/dbraw/zinc/12/24/82/535122482.db2.gz GJKIPTXJQCRWKZ-UHFFFAOYSA-N 1 2 223.320 2.566 20 0 BFADLO CCOc1cccc(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000351600623 535462617 /nfs/dbraw/zinc/46/26/17/535462617.db2.gz ZPAGRHWXVOEBMI-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)c(F)c1 ZINC000051920862 536112173 /nfs/dbraw/zinc/11/21/73/536112173.db2.gz FOIPARJXLWRLLF-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CN(CCC1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000301866780 536320138 /nfs/dbraw/zinc/32/01/38/536320138.db2.gz HMRRRRNFCSJZSQ-UHFFFAOYSA-N 1 2 215.300 2.799 20 0 BFADLO COc1ccccc1C[NH2+][C@@H](C)c1ccon1 ZINC000351581247 537049164 /nfs/dbraw/zinc/04/91/64/537049164.db2.gz NEHNQGWSKNGHOF-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO FC1(F)CC[C@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000336270800 566306946 /nfs/dbraw/zinc/30/69/46/566306946.db2.gz DTKLIZNLAHNBCR-QMMMGPOBSA-N 1 2 225.229 2.763 20 0 BFADLO FC1(F)CC[C@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000336270800 566306955 /nfs/dbraw/zinc/30/69/55/566306955.db2.gz DTKLIZNLAHNBCR-QMMMGPOBSA-N 1 2 225.229 2.763 20 0 BFADLO C[C@@H](O)c1cccc(NCCCC(F)(F)F)[nH+]1 ZINC000892739960 582974503 /nfs/dbraw/zinc/97/45/03/582974503.db2.gz HEMWOAQKDZHSEO-MRVPVSSYSA-N 1 2 248.248 2.889 20 0 BFADLO CCCn1cc(C[NH2+][C@H]2CCCC2(F)F)cn1 ZINC000398185706 583123773 /nfs/dbraw/zinc/12/37/73/583123773.db2.gz ISARBDZGRCZOLV-NSHDSACASA-N 1 2 243.301 2.571 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CCC2(C)C)[nH+]1 ZINC000893858569 583233721 /nfs/dbraw/zinc/23/37/21/583233721.db2.gz FHYIJGXJHLKFBG-ONGXEEELSA-N 1 2 220.316 2.735 20 0 BFADLO ClC1(c2csc(Cn3cc[nH+]c3)n2)CC1 ZINC000853002912 588715289 /nfs/dbraw/zinc/71/52/89/588715289.db2.gz YNYOSNMRPLGTJX-UHFFFAOYSA-N 1 2 239.731 2.616 20 0 BFADLO FC(F)OCCSc1[nH+]cc2ccccn21 ZINC000853013992 588715705 /nfs/dbraw/zinc/71/57/05/588715705.db2.gz MJMSSBCNKLPZIF-UHFFFAOYSA-N 1 2 244.266 2.666 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cn1ncsc1=S ZINC000111165645 588725420 /nfs/dbraw/zinc/72/54/20/588725420.db2.gz CAXNNBZXQHZVNS-QMMMGPOBSA-N 1 2 231.390 2.609 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cn1ncsc1=S ZINC000111165645 588725421 /nfs/dbraw/zinc/72/54/21/588725421.db2.gz CAXNNBZXQHZVNS-QMMMGPOBSA-N 1 2 231.390 2.609 20 0 BFADLO C[N@H+](C[C@H]1CC1(C)C)Cn1ncsc1=S ZINC000853627456 588750909 /nfs/dbraw/zinc/75/09/09/588750909.db2.gz VQUBDSUJBHDCIZ-MRVPVSSYSA-N 1 2 243.401 2.609 20 0 BFADLO C[N@@H+](C[C@H]1CC1(C)C)Cn1ncsc1=S ZINC000853627456 588750910 /nfs/dbraw/zinc/75/09/10/588750910.db2.gz VQUBDSUJBHDCIZ-MRVPVSSYSA-N 1 2 243.401 2.609 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC[C@@H](C)O2)cc[nH+]1 ZINC000853851094 588766061 /nfs/dbraw/zinc/76/60/61/588766061.db2.gz ZEFSAFXBJAGRCM-VXGBXAGGSA-N 1 2 249.358 2.970 20 0 BFADLO CC[C@]1(Nc2cc[nH+]c(C(C)C)n2)CCOC1 ZINC000804689842 582527458 /nfs/dbraw/zinc/52/74/58/582527458.db2.gz MCWJZEBFWVJGBE-ZDUSSCGKSA-N 1 2 235.331 2.581 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccco2)o1 ZINC000891486672 582691717 /nfs/dbraw/zinc/69/17/17/582691717.db2.gz COMHNOMMSJDERI-UHFFFAOYSA-N 1 2 235.283 2.903 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccco2)o1 ZINC000891486672 582691721 /nfs/dbraw/zinc/69/17/21/582691721.db2.gz COMHNOMMSJDERI-UHFFFAOYSA-N 1 2 235.283 2.903 20 0 BFADLO CCC[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891668726 582707998 /nfs/dbraw/zinc/70/79/98/582707998.db2.gz SMLJDDIJKKHVEJ-ZJUUUORDSA-N 1 2 208.305 2.735 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)Cc2ccco2)[nH+]1 ZINC000891762737 582717949 /nfs/dbraw/zinc/71/79/49/582717949.db2.gz SSBVEDXSSRGYDJ-QWRGUYRKSA-N 1 2 246.310 2.771 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccoc2)o1 ZINC000891780255 582718938 /nfs/dbraw/zinc/71/89/38/582718938.db2.gz VRWXIRKLGKWJPX-UHFFFAOYSA-N 1 2 221.256 2.513 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccoc2)o1 ZINC000891779690 582719223 /nfs/dbraw/zinc/71/92/23/582719223.db2.gz NBGMJJVIUPGXKR-UHFFFAOYSA-N 1 2 235.283 2.903 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccoc2)o1 ZINC000891779690 582719226 /nfs/dbraw/zinc/71/92/26/582719226.db2.gz NBGMJJVIUPGXKR-UHFFFAOYSA-N 1 2 235.283 2.903 20 0 BFADLO Cc1ccc(CCNc2cccc([C@H](C)O)[nH+]2)o1 ZINC000891813168 582725494 /nfs/dbraw/zinc/72/54/94/582725494.db2.gz UAXDERKNNSOISL-NSHDSACASA-N 1 2 246.310 2.691 20 0 BFADLO Cc1cc(N2CCSCC2)nc(C2CCC2)[nH+]1 ZINC000891879904 582734484 /nfs/dbraw/zinc/73/44/84/582734484.db2.gz ZZVMQQJEICKFFB-UHFFFAOYSA-N 1 2 249.383 2.606 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CC=CCC2)[nH+]1 ZINC000892035703 582768374 /nfs/dbraw/zinc/76/83/74/582768374.db2.gz LRBLTNLOEPRIJS-NWDGAFQWSA-N 1 2 232.327 2.903 20 0 BFADLO Cc1nn(C)c(C[N@H+]2CC=C(C)CC2)c1Cl ZINC000892069367 582784668 /nfs/dbraw/zinc/78/46/68/582784668.db2.gz JBEBQADMIYDIDB-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO Cc1nn(C)c(C[N@@H+]2CC=C(C)CC2)c1Cl ZINC000892069367 582784669 /nfs/dbraw/zinc/78/46/69/582784669.db2.gz JBEBQADMIYDIDB-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO CCCCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000889524994 582815644 /nfs/dbraw/zinc/81/56/44/582815644.db2.gz IBFFIAXHIKXESR-LBPRGKRZSA-N 1 2 249.358 2.673 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000892342030 582861678 /nfs/dbraw/zinc/86/16/78/582861678.db2.gz IXHPBWRROWEVLA-GARJFASQSA-N 1 2 220.316 2.735 20 0 BFADLO CCc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000141052232 582875873 /nfs/dbraw/zinc/87/58/73/582875873.db2.gz JKLJCPWACWDEIG-MRVPVSSYSA-N 1 2 249.339 2.525 20 0 BFADLO CCC/C=C/C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288793 588867545 /nfs/dbraw/zinc/86/75/45/588867545.db2.gz ZMQIPFFVWHMMDM-AATRIKPKSA-N 1 2 243.310 2.938 20 0 BFADLO CCC/C=C\C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288794 588867563 /nfs/dbraw/zinc/86/75/63/588867563.db2.gz ZMQIPFFVWHMMDM-WAYWQWQTSA-N 1 2 243.310 2.938 20 0 BFADLO COc1ccc(C2([NH2+]CC(F)F)CC2)cc1 ZINC000309836393 582904195 /nfs/dbraw/zinc/90/41/95/582904195.db2.gz BHWOXOYVMALJKF-UHFFFAOYSA-N 1 2 227.254 2.539 20 0 BFADLO CCc1onc(C)c1CNc1cccc[nH+]1 ZINC000892638205 582935944 /nfs/dbraw/zinc/93/59/44/582935944.db2.gz YCVPRWDRJLGASO-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO C/C(=C/C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)(C)C ZINC000856278127 588866576 /nfs/dbraw/zinc/86/65/76/588866576.db2.gz XWMXCGQREZQSFR-JUDLJHIGSA-N 1 2 249.358 2.590 20 0 BFADLO C/C=C(/C=C\C(=O)OCCCn1cc[nH+]c1)CC ZINC000784212336 582995834 /nfs/dbraw/zinc/99/58/34/582995834.db2.gz OMLSAVSBBNGYHK-YZWNIHMXSA-N 1 2 248.326 2.729 20 0 BFADLO C[C@@H](O)c1cccc(NCCC2CCC2)[nH+]1 ZINC000892880771 583002428 /nfs/dbraw/zinc/00/24/28/583002428.db2.gz IXFLLPDLRUXAME-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO CCc1cc(N[C@@H]2CCO[C@H](C)C2)nc(CC)[nH+]1 ZINC000893088401 583047695 /nfs/dbraw/zinc/04/76/95/583047695.db2.gz PADOLCXSMIHPMH-ZYHUDNBSSA-N 1 2 249.358 2.581 20 0 BFADLO CC[C@@H](CC(F)(F)F)Nc1cc(NC)[nH+]cn1 ZINC000893184156 583066501 /nfs/dbraw/zinc/06/65/01/583066501.db2.gz VUYKZBMYSGQSPS-ZETCQYMHSA-N 1 2 248.252 2.661 20 0 BFADLO CC[C@@H](CC(F)(F)F)Nc1cc(NC)nc[nH+]1 ZINC000893184156 583066505 /nfs/dbraw/zinc/06/65/05/583066505.db2.gz VUYKZBMYSGQSPS-ZETCQYMHSA-N 1 2 248.252 2.661 20 0 BFADLO CCn1cc(CNc2c[nH+]ccc2C)c(C)n1 ZINC000893199740 583069797 /nfs/dbraw/zinc/06/97/97/583069797.db2.gz ZJLUVCGFKJDFMH-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO c1nc(C[NH2+]Cc2ccc3cnccc3c2)co1 ZINC000397812286 583109056 /nfs/dbraw/zinc/10/90/56/583109056.db2.gz ZCBGDSOTHDWSPI-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO COc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000397980247 583115077 /nfs/dbraw/zinc/11/50/77/583115077.db2.gz DZHBGXOULLTLHU-GFCCVEGCSA-N 1 2 241.281 2.973 20 0 BFADLO Cc1cc(NCC[C@H]2CC2(Cl)Cl)nc[nH+]1 ZINC000856784425 588877547 /nfs/dbraw/zinc/87/75/47/588877547.db2.gz FUBHUWSRLLGYQJ-QMMMGPOBSA-N 1 2 246.141 2.781 20 0 BFADLO CCc1cc(NC[C@H]2CCC=CO2)nc(CC)[nH+]1 ZINC000893367226 583127219 /nfs/dbraw/zinc/12/72/19/583127219.db2.gz FUKZCOKFYFDRAS-GFCCVEGCSA-N 1 2 247.342 2.706 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1ccsc1 ZINC000893517392 583155537 /nfs/dbraw/zinc/15/55/37/583155537.db2.gz FQXOMHMHKSBMIQ-JTQLQIEISA-N 1 2 248.307 2.555 20 0 BFADLO CC[C@H](C)CC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893527763 583157903 /nfs/dbraw/zinc/15/79/03/583157903.db2.gz GSVDVXPSRRGKSJ-GXSJLCMTSA-N 1 2 236.315 2.616 20 0 BFADLO c1c(C2CC2)[nH+]c(C2CC2)nc1N1CC[C@@H]2C[C@@H]21 ZINC000893680069 583198017 /nfs/dbraw/zinc/19/80/17/583198017.db2.gz DVZVUYCLXYCGJA-YPMHNXCESA-N 1 2 241.338 2.830 20 0 BFADLO Cc1[nH]nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000893872677 583237544 /nfs/dbraw/zinc/23/75/44/583237544.db2.gz XWHFJDINWOAABK-AOOOYVTPSA-N 1 2 221.348 2.504 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1ocnc1C ZINC000893882942 583240553 /nfs/dbraw/zinc/24/05/53/583240553.db2.gz LVKVXCRUNVETBG-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1ocnc1C ZINC000893882942 583240557 /nfs/dbraw/zinc/24/05/57/583240557.db2.gz LVKVXCRUNVETBG-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C[C@H](O)c1cccc(N2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000893881799 583240788 /nfs/dbraw/zinc/24/07/88/583240788.db2.gz FGJMRNPFKRBKKM-AAEUAGOBSA-N 1 2 246.354 2.761 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(SC)o2)CCO1 ZINC000893918766 583246719 /nfs/dbraw/zinc/24/67/19/583246719.db2.gz FPGBKUJYTZSLJL-SNVBAGLBSA-N 1 2 241.356 2.612 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(SC)o2)CCO1 ZINC000893918766 583246720 /nfs/dbraw/zinc/24/67/20/583246720.db2.gz FPGBKUJYTZSLJL-SNVBAGLBSA-N 1 2 241.356 2.612 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000893952523 583261318 /nfs/dbraw/zinc/26/13/18/583261318.db2.gz KCOVUOMYZZWPTO-UWVGGRQHSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)o1 ZINC000893952523 583261320 /nfs/dbraw/zinc/26/13/20/583261320.db2.gz KCOVUOMYZZWPTO-UWVGGRQHSA-N 1 2 241.356 2.611 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1ocnc1C ZINC000893993328 583267745 /nfs/dbraw/zinc/26/77/45/583267745.db2.gz OKPXSXBBQQUXFK-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1ocnc1C ZINC000893993328 583267748 /nfs/dbraw/zinc/26/77/48/583267748.db2.gz OKPXSXBBQQUXFK-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CN(CCF)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893998278 583269003 /nfs/dbraw/zinc/26/90/03/583269003.db2.gz CGLZJBGQMCAEGG-UHFFFAOYSA-N 1 2 235.306 2.637 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000894000326 583271687 /nfs/dbraw/zinc/27/16/87/583271687.db2.gz QGDXDQHPLZYBAR-GXSJLCMTSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(CF)CF)nc(C2CCC2)[nH+]1 ZINC000894018657 583273479 /nfs/dbraw/zinc/27/34/79/583273479.db2.gz RRRUUSQVQOBCCI-UHFFFAOYSA-N 1 2 241.285 2.772 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC3(CCCC3)C2)c1C ZINC000894020190 583275187 /nfs/dbraw/zinc/27/51/87/583275187.db2.gz FORUMVGKVVLQIQ-UHFFFAOYSA-N 1 2 233.359 2.793 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC3(CCCC3)C2)c1C ZINC000894020190 583275188 /nfs/dbraw/zinc/27/51/88/583275188.db2.gz FORUMVGKVVLQIQ-UHFFFAOYSA-N 1 2 233.359 2.793 20 0 BFADLO C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccccn1 ZINC000726376161 583349584 /nfs/dbraw/zinc/34/95/84/583349584.db2.gz GQDADWJHGLLQKU-SNVBAGLBSA-N 1 2 247.729 2.981 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2ocnc2C)n1 ZINC000894217761 583381242 /nfs/dbraw/zinc/38/12/42/583381242.db2.gz DJUNLJHJMCCDSO-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]2c2ccco2)[nH+]1 ZINC000894222740 583382982 /nfs/dbraw/zinc/38/29/82/583382982.db2.gz KVLFNQBAPLTBJK-HOSYDEDBSA-N 1 2 244.294 2.696 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2cccnc2)[nH+]1 ZINC000894423523 583455984 /nfs/dbraw/zinc/45/59/84/583455984.db2.gz WEAKFNGQEXUEKF-UHFFFAOYSA-N 1 2 244.342 2.560 20 0 BFADLO Fc1cccc2c1CCCN2Cc1c[nH+]c[nH]1 ZINC000894429572 583457143 /nfs/dbraw/zinc/45/71/43/583457143.db2.gz KYEPUVAEXXICIW-UHFFFAOYSA-N 1 2 231.274 2.502 20 0 BFADLO Fc1cccc2c1CCCN2Cc1c[nH]c[nH+]1 ZINC000894429572 583457144 /nfs/dbraw/zinc/45/71/44/583457144.db2.gz KYEPUVAEXXICIW-UHFFFAOYSA-N 1 2 231.274 2.502 20 0 BFADLO Cc1cc(F)ncc1C[NH2+][C@@H]1CCCC1(F)F ZINC000894513332 583476024 /nfs/dbraw/zinc/47/60/24/583476024.db2.gz HQJRLKXHNZPNPR-SNVBAGLBSA-N 1 2 244.260 2.807 20 0 BFADLO Cc1coc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000894533908 583478172 /nfs/dbraw/zinc/47/81/72/583478172.db2.gz KKPLWZSPKYOIJQ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1coc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000894533908 583478173 /nfs/dbraw/zinc/47/81/73/583478173.db2.gz KKPLWZSPKYOIJQ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CC(C)([NH2+][C@H]1CCc2cccnc21)C(F)F ZINC000894603704 583491057 /nfs/dbraw/zinc/49/10/57/583491057.db2.gz YGOYFRXOQJZTDQ-VIFPVBQESA-N 1 2 226.270 2.702 20 0 BFADLO Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000894673388 583504487 /nfs/dbraw/zinc/50/44/87/583504487.db2.gz ZHMZHKGCALKLOQ-JTQLQIEISA-N 1 2 228.698 2.587 20 0 BFADLO Cc1cnc(Cl)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000894673388 583504489 /nfs/dbraw/zinc/50/44/89/583504489.db2.gz ZHMZHKGCALKLOQ-JTQLQIEISA-N 1 2 228.698 2.587 20 0 BFADLO COC1C[NH+](Cc2ccc(C(F)F)c(F)c2)C1 ZINC000894820275 583525108 /nfs/dbraw/zinc/52/51/08/583525108.db2.gz ULEHVHYGZNFDAR-UHFFFAOYSA-N 1 2 245.244 2.594 20 0 BFADLO Oc1cc(Cl)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC000894829799 583527322 /nfs/dbraw/zinc/52/73/22/583527322.db2.gz FLOWCAFMHPXVOY-UHFFFAOYSA-N 1 2 247.672 2.743 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1ccnn1C1CCC1)C2 ZINC000894831112 583527910 /nfs/dbraw/zinc/52/79/10/583527910.db2.gz YITWTOJPPVPIDI-UHFFFAOYSA-N 1 2 249.333 2.542 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1[nH]nc(C)c1C ZINC000894852436 583531642 /nfs/dbraw/zinc/53/16/42/583531642.db2.gz XLIPASDRZRWOCJ-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1[nH]nc(C)c1C ZINC000894852436 583531643 /nfs/dbraw/zinc/53/16/43/583531643.db2.gz XLIPASDRZRWOCJ-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CCCC23CC3)[nH+]1 ZINC000894862112 583535446 /nfs/dbraw/zinc/53/54/46/583535446.db2.gz DJMMXHCPFGULBL-JQWIXIFHSA-N 1 2 232.327 2.880 20 0 BFADLO CSc1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000894874519 583540744 /nfs/dbraw/zinc/54/07/44/583540744.db2.gz PGXROXCZUFRBQY-QMMMGPOBSA-N 1 2 215.293 2.545 20 0 BFADLO CSc1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000894874519 583540746 /nfs/dbraw/zinc/54/07/46/583540746.db2.gz PGXROXCZUFRBQY-QMMMGPOBSA-N 1 2 215.293 2.545 20 0 BFADLO CC(C)c1c[nH]c(CN2CC(C(F)(F)F)C2)[nH+]1 ZINC000894890556 583548115 /nfs/dbraw/zinc/54/81/15/583548115.db2.gz JQCLXSKCBZLJCT-UHFFFAOYSA-N 1 2 247.264 2.527 20 0 BFADLO COc1ccccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894896545 583550330 /nfs/dbraw/zinc/55/03/30/583550330.db2.gz MOEWHPFODLNERK-UHFFFAOYSA-N 1 2 245.244 2.689 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1C ZINC000894904927 583553800 /nfs/dbraw/zinc/55/38/00/583553800.db2.gz BKAUMSRUKZMMTH-HIFRSBDPSA-N 1 2 245.370 2.647 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1C ZINC000894997912 583566554 /nfs/dbraw/zinc/56/65/54/583566554.db2.gz BISIVUVAUIDNNR-VIFPVBQESA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1C ZINC000894997912 583566556 /nfs/dbraw/zinc/56/65/56/583566556.db2.gz BISIVUVAUIDNNR-VIFPVBQESA-N 1 2 221.348 2.647 20 0 BFADLO Cc1ncoc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000895053827 583574740 /nfs/dbraw/zinc/57/47/40/583574740.db2.gz XBJDTIKLQLLBMS-KBPBESRZSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1[nH+]cnc(N(C)Cc2ccsc2)c1C ZINC000881773212 583584540 /nfs/dbraw/zinc/58/45/40/583584540.db2.gz ACHJYXIUYSNLPW-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO COc1ccc(C[NH+]2CC(C)(CC(F)F)C2)o1 ZINC000895106601 583589894 /nfs/dbraw/zinc/58/98/94/583589894.db2.gz ZENZTTBJDHDBEI-UHFFFAOYSA-N 1 2 245.269 2.765 20 0 BFADLO C=C/C=C/CCNc1cccc([C@H](C)O)[nH+]1 ZINC000895132059 583600997 /nfs/dbraw/zinc/60/09/97/583600997.db2.gz NICXSBNEDADYII-ZWNMCFTASA-N 1 2 218.300 2.679 20 0 BFADLO Cc1c[nH]c(CNc2cc(F)cc(N(C)C)c2)[nH+]1 ZINC000895177121 583616525 /nfs/dbraw/zinc/61/65/25/583616525.db2.gz VEFOEEDAJNIRRU-UHFFFAOYSA-N 1 2 248.305 2.535 20 0 BFADLO Cc1[nH]c([C@H]2CCCN2c2nccs2)[nH+]c1C ZINC000895197392 583623554 /nfs/dbraw/zinc/62/35/54/583623554.db2.gz RJHHBCHIBNCFPQ-SNVBAGLBSA-N 1 2 248.355 2.825 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)[nH+]1 ZINC000895208592 583626183 /nfs/dbraw/zinc/62/61/83/583626183.db2.gz VAYJTFPXPMPTPN-VLJOUNFMSA-N 1 2 246.354 2.839 20 0 BFADLO Cc1cc(N(C)CCCF)nc(C2CCC2)[nH+]1 ZINC000895243707 583631528 /nfs/dbraw/zinc/63/15/28/583631528.db2.gz JJDWMJCVDSOGGH-UHFFFAOYSA-N 1 2 237.322 2.848 20 0 BFADLO C[C@H]1OCC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000147614903 583663283 /nfs/dbraw/zinc/66/32/83/583663283.db2.gz HCODNRVTKCVQDP-DOMZBBRYSA-N 1 2 246.354 2.876 20 0 BFADLO CO[C@@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCCCC1 ZINC000895430234 583669772 /nfs/dbraw/zinc/66/97/72/583669772.db2.gz CKLNZMMASVLTBK-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCCCC1 ZINC000895430234 583669774 /nfs/dbraw/zinc/66/97/74/583669774.db2.gz CKLNZMMASVLTBK-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1ccc(CC[N@@H+]2CC[C@@H]2C(F)F)cc1 ZINC000895432036 583670690 /nfs/dbraw/zinc/67/06/90/583670690.db2.gz SOQMCJAZLRFDDL-GFCCVEGCSA-N 1 2 225.282 2.877 20 0 BFADLO Cc1ccc(CC[N@H+]2CC[C@@H]2C(F)F)cc1 ZINC000895432036 583670691 /nfs/dbraw/zinc/67/06/91/583670691.db2.gz SOQMCJAZLRFDDL-GFCCVEGCSA-N 1 2 225.282 2.877 20 0 BFADLO CSC(C)(C)CC[N@@H+]1CC[C@H]1C(F)F ZINC000895432106 583670868 /nfs/dbraw/zinc/67/08/68/583670868.db2.gz UTKXLUGUHJDQJW-QMMMGPOBSA-N 1 2 223.332 2.858 20 0 BFADLO CSC(C)(C)CC[N@H+]1CC[C@H]1C(F)F ZINC000895432106 583670869 /nfs/dbraw/zinc/67/08/69/583670869.db2.gz UTKXLUGUHJDQJW-QMMMGPOBSA-N 1 2 223.332 2.858 20 0 BFADLO CSC(C)(C)CC[N@@H+]1CC[C@@H]1C(F)F ZINC000895432105 583670909 /nfs/dbraw/zinc/67/09/09/583670909.db2.gz UTKXLUGUHJDQJW-MRVPVSSYSA-N 1 2 223.332 2.858 20 0 BFADLO CSC(C)(C)CC[N@H+]1CC[C@@H]1C(F)F ZINC000895432105 583670910 /nfs/dbraw/zinc/67/09/10/583670910.db2.gz UTKXLUGUHJDQJW-MRVPVSSYSA-N 1 2 223.332 2.858 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC000895433343 583671711 /nfs/dbraw/zinc/67/17/11/583671711.db2.gz UUQGUBNEBMNEHN-SNVBAGLBSA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1CC1CCCCC1 ZINC000895433343 583671712 /nfs/dbraw/zinc/67/17/12/583671712.db2.gz UUQGUBNEBMNEHN-SNVBAGLBSA-N 1 2 203.276 2.906 20 0 BFADLO c1cc(C[N@@H+]2Cc3ccncc3C2)cs1 ZINC000857883077 588920558 /nfs/dbraw/zinc/92/05/58/588920558.db2.gz ZHRTYYBRZRJTLP-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO c1cc(C[N@H+]2Cc3ccncc3C2)cs1 ZINC000857883077 588920559 /nfs/dbraw/zinc/92/05/59/588920559.db2.gz ZHRTYYBRZRJTLP-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2cnc[nH]2)o1 ZINC000895461699 583677756 /nfs/dbraw/zinc/67/77/56/583677756.db2.gz OMSMDIGYYNIUEQ-UHFFFAOYSA-N 1 2 233.315 2.590 20 0 BFADLO C(c1nnc(C2CC2)s1)[NH+]1CC(CC2CC2)C1 ZINC000895516268 583682891 /nfs/dbraw/zinc/68/28/91/583682891.db2.gz RDISHXTVOLBNST-UHFFFAOYSA-N 1 2 249.383 2.647 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CCC(F)CC2)c1F ZINC000895547122 583686860 /nfs/dbraw/zinc/68/68/60/583686860.db2.gz MSEGCZRDZICEDZ-UHFFFAOYSA-N 1 2 245.244 2.604 20 0 BFADLO Cc1cc(N2CCC[C@@H]2COC(C)(C)C)nc[nH+]1 ZINC000895653115 583703927 /nfs/dbraw/zinc/70/39/27/583703927.db2.gz RUBKDKCEWAZIQV-GFCCVEGCSA-N 1 2 249.358 2.569 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000895783595 583727245 /nfs/dbraw/zinc/72/72/45/583727245.db2.gz RSZVVQDOBRILEH-SNVBAGLBSA-N 1 2 249.358 2.888 20 0 BFADLO CCc1cc(NC(C)(C)/C=C\Cl)nc[nH+]1 ZINC000895915621 583746406 /nfs/dbraw/zinc/74/64/06/583746406.db2.gz DSXUQYZLJUFHPM-WAYWQWQTSA-N 1 2 225.723 2.982 20 0 BFADLO COCC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC000895971133 583756057 /nfs/dbraw/zinc/75/60/57/583756057.db2.gz LKEJODFVISNIDC-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO C[C@H]1CCC[C@@H](c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896048023 583765699 /nfs/dbraw/zinc/76/56/99/583765699.db2.gz FFIXKFGPNHSOKS-WDEREUQCSA-N 1 2 249.358 2.914 20 0 BFADLO CCC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857980898 588927554 /nfs/dbraw/zinc/92/75/54/588927554.db2.gz SDQMGWBVROZMIE-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1nc(NCc2ncc(C)cc2C)cc[nH+]1 ZINC000896099091 583770346 /nfs/dbraw/zinc/77/03/46/583770346.db2.gz SJENGPINFBCZDV-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO CCC(CC)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981663 588928005 /nfs/dbraw/zinc/92/80/05/588928005.db2.gz ALQGFOAAZNUZMP-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CC[C@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857985334 588928472 /nfs/dbraw/zinc/92/84/72/588928472.db2.gz HECTZBTULOXBQR-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cn1ncsc1=S ZINC000727824776 583779868 /nfs/dbraw/zinc/77/98/68/583779868.db2.gz RMHTUJAIMZBOIO-MRVPVSSYSA-N 1 2 229.374 2.506 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cn1ncsc1=S ZINC000727824776 583779870 /nfs/dbraw/zinc/77/98/70/583779870.db2.gz RMHTUJAIMZBOIO-MRVPVSSYSA-N 1 2 229.374 2.506 20 0 BFADLO CC(C)c1nc(NC[C@]2(C)CCCCO2)cc[nH+]1 ZINC000896184836 583780509 /nfs/dbraw/zinc/78/05/09/583780509.db2.gz PSAQDQFNMDWYQM-AWEZNQCLSA-N 1 2 249.358 2.971 20 0 BFADLO CSCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000896210796 583783592 /nfs/dbraw/zinc/78/35/92/583783592.db2.gz QXMJODOIKYSRRZ-UHFFFAOYSA-N 1 2 240.347 2.800 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCS[C@H](C)C1 ZINC000896248295 583785093 /nfs/dbraw/zinc/78/50/93/583785093.db2.gz UCLCPDFQITUFKY-ZJUUUORDSA-N 1 2 238.356 2.786 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCS[C@@H](C)C2)c1C ZINC000896247694 583785368 /nfs/dbraw/zinc/78/53/68/583785368.db2.gz RRCPVYVKSYMOPE-GZMMTYOYSA-N 1 2 237.372 2.789 20 0 BFADLO Fc1c[nH+]ccc1N[C@H]1CCCc2cccnc21 ZINC000896418629 583801517 /nfs/dbraw/zinc/80/15/17/583801517.db2.gz FSGGORLQOCFKHC-ZDUSSCGKSA-N 1 2 243.285 2.527 20 0 BFADLO OCc1cc[nH+]c(NCC2CCC=CCC2)c1 ZINC000896549922 583810594 /nfs/dbraw/zinc/81/05/94/583810594.db2.gz PATMWCWOMLSFDD-UHFFFAOYSA-N 1 2 232.327 2.732 20 0 BFADLO Cc1nc(NCC(C)(C)C2CCOCC2)cc[nH+]1 ZINC000896784835 583833291 /nfs/dbraw/zinc/83/32/91/583833291.db2.gz IDXJCUYKZZYTTB-UHFFFAOYSA-N 1 2 249.358 2.650 20 0 BFADLO Cc1nc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc[nH+]1 ZINC000896899343 583850084 /nfs/dbraw/zinc/85/00/84/583850084.db2.gz ATHIQYVXCDGCKB-COMQUAJESA-N 1 2 243.354 2.657 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000858170182 588936820 /nfs/dbraw/zinc/93/68/20/588936820.db2.gz ISGCVXHFNUQENP-UHFFFAOYSA-N 1 2 224.254 2.565 20 0 BFADLO Cc1[nH]c(CNC(=O)C=C2CCCCC2)[nH+]c1C ZINC000896916813 583855275 /nfs/dbraw/zinc/85/52/75/583855275.db2.gz JQAYZKIGQDKCEH-UHFFFAOYSA-N 1 2 247.342 2.533 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccnc(F)c1 ZINC000858195118 588937986 /nfs/dbraw/zinc/93/79/86/588937986.db2.gz OWZCEHJSPDEFEA-UHFFFAOYSA-N 1 2 246.276 2.992 20 0 BFADLO CCc1nc(N(Cc2ccoc2)C2CC2)cc[nH+]1 ZINC000897108889 583881079 /nfs/dbraw/zinc/88/10/79/583881079.db2.gz IXJNZSWJGVZLJJ-UHFFFAOYSA-N 1 2 243.310 2.801 20 0 BFADLO c1cc(CN(c2cccc[nH+]2)C2CC2)co1 ZINC000897113997 583882085 /nfs/dbraw/zinc/88/20/85/583882085.db2.gz OUDRHBUXEBTOCA-UHFFFAOYSA-N 1 2 214.268 2.844 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3C[C@@H]4CCC[C@H]34)c2cn1 ZINC000897181162 583891943 /nfs/dbraw/zinc/89/19/43/583891943.db2.gz YAUXGXDAHQTNDX-ZIBATOQPSA-N 1 2 239.322 2.652 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(CCCCF)no1 ZINC000897201621 583893132 /nfs/dbraw/zinc/89/31/32/583893132.db2.gz JMGVTYLWYIXJMV-UHFFFAOYSA-N 1 2 249.289 2.656 20 0 BFADLO CCc1cc(NC[C@H]2CCCC(C)(C)O2)nc[nH+]1 ZINC000897255055 583904158 /nfs/dbraw/zinc/90/41/58/583904158.db2.gz WZUOXWVUORTNBH-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(N[C@@H]2CCOC23CCCC3)cc[nH+]1 ZINC000897319829 583921211 /nfs/dbraw/zinc/92/12/11/583921211.db2.gz BDMZXUQMTZEMEF-LLVKDONJSA-N 1 2 247.342 2.553 20 0 BFADLO CCCOc1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000858310001 588943949 /nfs/dbraw/zinc/94/39/49/588943949.db2.gz OYGFCPAHJGLODL-UHFFFAOYSA-N 1 2 249.289 2.950 20 0 BFADLO CCC/C=C/C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000729350584 583993944 /nfs/dbraw/zinc/99/39/44/583993944.db2.gz DJLATWKROQHUJO-WNPFHQFXSA-N 1 2 247.342 2.820 20 0 BFADLO Cl/C=C/CNc1cc[nH+]c(C2CC2)n1 ZINC000897505068 583998307 /nfs/dbraw/zinc/99/83/07/583998307.db2.gz HWUZOYKAGPOTSZ-ORCRQEGFSA-N 1 2 209.680 2.518 20 0 BFADLO CC(C)c1nc(NCC(F)(F)F)cc[nH+]1 ZINC000858363479 588948590 /nfs/dbraw/zinc/94/85/90/588948590.db2.gz JTLDZIMUWHQDJI-UHFFFAOYSA-N 1 2 219.210 2.574 20 0 BFADLO c1ccc(N2CCCC[C@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000897569410 584019392 /nfs/dbraw/zinc/01/93/92/584019392.db2.gz QCHYBULZJBUGCK-KBPBESRZSA-N 1 2 246.354 2.725 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1cc(F)cc(F)c1 ZINC000148721379 584035058 /nfs/dbraw/zinc/03/50/58/584035058.db2.gz SHZFPQXSNBEXTJ-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO COC1CC(Nc2c[nH+]cc(C(C)C)c2)C1 ZINC000897707519 584041912 /nfs/dbraw/zinc/04/19/12/584041912.db2.gz QULPXMUVFGDZTI-UHFFFAOYSA-N 1 2 220.316 2.794 20 0 BFADLO Cc1c[nH]c(CNc2cncc(C(C)C)c2)[nH+]1 ZINC000897707655 584041918 /nfs/dbraw/zinc/04/19/18/584041918.db2.gz WQJPPISVVQUMCL-UHFFFAOYSA-N 1 2 230.315 2.849 20 0 BFADLO CC(C)c1c[nH+]cc(NCc2cnn(C)c2)c1 ZINC000897707670 584041948 /nfs/dbraw/zinc/04/19/48/584041948.db2.gz XGNNVAADNBRQTD-UHFFFAOYSA-N 1 2 230.315 2.551 20 0 BFADLO Cc1csc(C[NH+]2CC(Cc3ccoc3)C2)n1 ZINC000898160559 584087801 /nfs/dbraw/zinc/08/78/01/584087801.db2.gz JJWALLQDINKKCW-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO CCCOc1ccc([NH2+][C@H](C)CCO)cc1C ZINC000858568709 588967396 /nfs/dbraw/zinc/96/73/96/588967396.db2.gz PVKGKXPQQZCIEB-GFCCVEGCSA-N 1 2 237.343 2.967 20 0 BFADLO CC(C)c1cccc(NC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000899967035 584261357 /nfs/dbraw/zinc/26/13/57/584261357.db2.gz XQGQALHMMHHHSE-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC(C)c1cccc(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000899967035 584261359 /nfs/dbraw/zinc/26/13/59/584261359.db2.gz XQGQALHMMHHHSE-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCC(CC)(CC)NC(=O)CNc1cccc[nH+]1 ZINC000900830250 584355262 /nfs/dbraw/zinc/35/52/62/584355262.db2.gz OEAFWGSUBNGZKJ-UHFFFAOYSA-N 1 2 249.358 2.579 20 0 BFADLO C[C@@H](c1nc(C2(C)CCCC2)no1)[NH+](C)C ZINC000858855763 588979445 /nfs/dbraw/zinc/97/94/45/588979445.db2.gz VRBLIPWACWOOCB-VIFPVBQESA-N 1 2 223.320 2.524 20 0 BFADLO CC(C)[C@H]([NH2+]CC[C@@H]1CCCO1)C(F)(F)F ZINC000901413524 584441114 /nfs/dbraw/zinc/44/11/14/584441114.db2.gz WUHAZUASWFGHKT-UWVGGRQHSA-N 1 2 239.281 2.732 20 0 BFADLO CC(C)[C@H]([NH2+]CCCCCCO)C(F)(F)F ZINC000901411998 584441124 /nfs/dbraw/zinc/44/11/24/584441124.db2.gz DSSNFSRWMRQXBZ-JTQLQIEISA-N 1 2 241.297 2.716 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCCCCO)ccc2O1 ZINC000901448262 584447415 /nfs/dbraw/zinc/44/74/15/584447415.db2.gz PVHWRAVVAPKBOL-NSHDSACASA-N 1 2 235.327 2.585 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC[C@H]3CCCO3)ccc2O1 ZINC000901449056 584447796 /nfs/dbraw/zinc/44/77/96/584447796.db2.gz XWNZPLNUXMRRJH-BXUZGUMPSA-N 1 2 247.338 2.991 20 0 BFADLO Cc1cc(=O)[nH]c(C=Cc2[nH]cc(C(C)C)[nH+]2)n1 ZINC000901503245 584455007 /nfs/dbraw/zinc/45/50/07/584455007.db2.gz BEJRKYSQMGSPGJ-SNAWJCMRSA-N 1 2 244.298 2.508 20 0 BFADLO Cc1ccc(CSCc2[nH+]ccn2C)o1 ZINC000901671244 584477602 /nfs/dbraw/zinc/47/76/02/584477602.db2.gz DXWBVZKYKGJIJW-UHFFFAOYSA-N 1 2 222.313 2.755 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COc1cncnc1 ZINC000901703298 584483582 /nfs/dbraw/zinc/48/35/82/584483582.db2.gz IVACTVIBFZYSHO-UHFFFAOYSA-N 1 2 243.310 2.882 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000901972859 584509009 /nfs/dbraw/zinc/50/90/09/584509009.db2.gz UFBFGIPKBZLGSQ-IUODEOHRSA-N 1 2 247.338 2.842 20 0 BFADLO CCn1cnc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000902026008 584513291 /nfs/dbraw/zinc/51/32/91/584513291.db2.gz JVIPNPRGRBKKEO-UHFFFAOYSA-N 1 2 249.745 2.846 20 0 BFADLO CCc1ccc(CNc2cc[nH+]c(C)n2)o1 ZINC000902126072 584529012 /nfs/dbraw/zinc/52/90/12/584529012.db2.gz XKSRUULXVMRHPU-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1onc(C)c1CNc1cc(F)cc[nH+]1 ZINC000902158112 584532420 /nfs/dbraw/zinc/53/24/20/584532420.db2.gz RYRBVLCJGGZDBS-UHFFFAOYSA-N 1 2 235.262 2.692 20 0 BFADLO Cc1[nH]c(CNc2cnc(C(C)C)nc2)[nH+]c1C ZINC000902250545 584546941 /nfs/dbraw/zinc/54/69/41/584546941.db2.gz XCLUNNKDFGVMES-UHFFFAOYSA-N 1 2 245.330 2.552 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(C(C)(C)C)nc1 ZINC000902302940 584553557 /nfs/dbraw/zinc/55/35/57/584553557.db2.gz YRXZCBARRZXBNG-UHFFFAOYSA-N 1 2 244.342 2.725 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(F)c2C)c1 ZINC000902349009 584559973 /nfs/dbraw/zinc/55/99/73/584559973.db2.gz VDHRDMHEUABFRF-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CC(F)(F)CCCOc1cc[nH+]cc1 ZINC000902355037 584569649 /nfs/dbraw/zinc/56/96/49/584569649.db2.gz GZFKIOWXCCUQKO-UHFFFAOYSA-N 1 2 201.216 2.896 20 0 BFADLO FC1(F)[C@@H]2C[C@@H](COc3cc[nH+]cc3)C[C@@H]21 ZINC000902355438 584569652 /nfs/dbraw/zinc/56/96/52/584569652.db2.gz HQXWYAJNSZTFMN-UIKWRGBMSA-N 1 2 225.238 2.752 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1C[C@@]12CCOC2 ZINC000902355876 584570192 /nfs/dbraw/zinc/57/01/92/584570192.db2.gz VGXMFZYFKSQGFC-IUODEOHRSA-N 1 2 247.338 2.758 20 0 BFADLO CCn1c[nH+]c(CNc2cnccc2SC)c1 ZINC000902407276 584574607 /nfs/dbraw/zinc/57/46/07/584574607.db2.gz RBHAVVGXXVIKRU-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CCn1c[nH+]c(CNc2cc(OC)ccc2F)c1 ZINC000902435827 584596369 /nfs/dbraw/zinc/59/63/69/584596369.db2.gz VMCRNNYLHTXPGI-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCn1c[nH+]c(CN[C@@H](C(C)C)C(F)(F)F)c1 ZINC000902522541 584632048 /nfs/dbraw/zinc/63/20/48/584632048.db2.gz DUDFTUSCEMJBDW-JTQLQIEISA-N 1 2 249.280 2.580 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(COC)cc2)c1 ZINC000902529621 584633479 /nfs/dbraw/zinc/63/34/79/584633479.db2.gz GZRHRQXQLXUODO-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO CCn1c[nH+]c(CNC2(C(F)F)CCCC2)c1 ZINC000902560636 584634610 /nfs/dbraw/zinc/63/46/10/584634610.db2.gz CKGODNTWTBZPMX-UHFFFAOYSA-N 1 2 243.301 2.571 20 0 BFADLO CCn1c[nH+]c(CNCC(F)(F)C(C)(C)C)c1 ZINC000902622032 584645457 /nfs/dbraw/zinc/64/54/57/584645457.db2.gz VFSPQNYZIKWDBH-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO CSCCOc1ccc2c[nH+]ccc2c1 ZINC000902638631 584648996 /nfs/dbraw/zinc/64/89/96/584648996.db2.gz PVDOOPNGSSQQKQ-UHFFFAOYSA-N 1 2 219.309 2.977 20 0 BFADLO CC[C@@H]1c2ccccc2C[N@H+]1CN1CCCC1=O ZINC000902666458 584653863 /nfs/dbraw/zinc/65/38/63/584653863.db2.gz QALWFRCICICINM-CQSZACIVSA-N 1 2 244.338 2.533 20 0 BFADLO CC[C@@H]1c2ccccc2C[N@@H+]1CN1CCCC1=O ZINC000902666458 584653865 /nfs/dbraw/zinc/65/38/65/584653865.db2.gz QALWFRCICICINM-CQSZACIVSA-N 1 2 244.338 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1cncs1 ZINC000902689645 584656309 /nfs/dbraw/zinc/65/63/09/584656309.db2.gz MKWBRNMBWSNFKO-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc(C)[nH+]c(Cn2cc(C3CC3)cn2)c1 ZINC000902756668 584665037 /nfs/dbraw/zinc/66/50/37/584665037.db2.gz ASBAVWMVUPHMBB-UHFFFAOYSA-N 1 2 227.311 2.821 20 0 BFADLO Cn1c[nH+]c2cc(OCCCCCCO)ccc21 ZINC000902781041 584670161 /nfs/dbraw/zinc/67/01/61/584670161.db2.gz CJRXWYGTEKSCGA-UHFFFAOYSA-N 1 2 248.326 2.505 20 0 BFADLO COC1(COc2ccc3c(c2)[nH+]cn3C)CCC1 ZINC000902781311 584670253 /nfs/dbraw/zinc/67/02/53/584670253.db2.gz NLKFKCGESUJMHY-UHFFFAOYSA-N 1 2 246.310 2.521 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902921234 584692772 /nfs/dbraw/zinc/69/27/72/584692772.db2.gz RIYXFDBOFLNSAB-XSXPHNMFSA-N 1 2 244.338 2.615 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccns1 ZINC000903073863 584726247 /nfs/dbraw/zinc/72/62/47/584726247.db2.gz VMSVNHHEFHSDOX-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccns1 ZINC000903073863 584726248 /nfs/dbraw/zinc/72/62/48/584726248.db2.gz VMSVNHHEFHSDOX-WCBMZHEXSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cncs1 ZINC000903309337 584747803 /nfs/dbraw/zinc/74/78/03/584747803.db2.gz DLWCHOGTMIHZKE-UTLUCORTSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccco1 ZINC000903329861 584753882 /nfs/dbraw/zinc/75/38/82/584753882.db2.gz FJOQSEJVWXAABA-GXFFZTMASA-N 1 2 243.310 2.872 20 0 BFADLO Clc1ccc(CCCN2CC=CC[NH2+]2)cc1 ZINC000903488498 584780600 /nfs/dbraw/zinc/78/06/00/584780600.db2.gz GXTFXPGMPCRPCT-UHFFFAOYSA-N 1 2 236.746 2.649 20 0 BFADLO CCC[C@]1(C)CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896577 584819898 /nfs/dbraw/zinc/81/98/98/584819898.db2.gz VLEPSUPMDKPJOM-DGCLKSJQSA-N 1 2 248.361 2.871 20 0 BFADLO CCC[C@]1(C)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896577 584819899 /nfs/dbraw/zinc/81/98/99/584819899.db2.gz VLEPSUPMDKPJOM-DGCLKSJQSA-N 1 2 248.361 2.871 20 0 BFADLO CCC[C@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269604 584858588 /nfs/dbraw/zinc/85/85/88/584858588.db2.gz MICNFIVMQRZLIH-QMMMGPOBSA-N 1 2 246.314 2.926 20 0 BFADLO CC[C@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271977 584858685 /nfs/dbraw/zinc/85/86/85/584858685.db2.gz GSNDYIOMQSGKDK-ZETCQYMHSA-N 1 2 232.287 2.536 20 0 BFADLO CC[C@@H](C)Cc1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904261829 584859496 /nfs/dbraw/zinc/85/94/96/584859496.db2.gz PINPASPDGZEECB-MRVPVSSYSA-N 1 2 246.314 2.611 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(OC2COC2)cc1 ZINC000754147357 584913947 /nfs/dbraw/zinc/91/39/47/584913947.db2.gz COIPNPWTYNUVTL-MNOVXSKESA-N 1 2 233.311 2.532 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(OC2COC2)cc1 ZINC000754147352 584913959 /nfs/dbraw/zinc/91/39/59/584913959.db2.gz COIPNPWTYNUVTL-GHMZBOCLSA-N 1 2 233.311 2.532 20 0 BFADLO C[C@@H](Cc1ccco1)Nc1cc[nH+]c(C2CC2)n1 ZINC000731966920 584932573 /nfs/dbraw/zinc/93/25/73/584932573.db2.gz UFQJVWJKPRUOCU-JTQLQIEISA-N 1 2 243.310 2.990 20 0 BFADLO Cc1ccc([C@@H](C)NC(=O)c2c[nH+]c(C)[nH]2)s1 ZINC000732276950 584935525 /nfs/dbraw/zinc/93/55/25/584935525.db2.gz XLMQBWJWAWOGOX-MRVPVSSYSA-N 1 2 249.339 2.579 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H]1C=CCCC1 ZINC000733444758 584948912 /nfs/dbraw/zinc/94/89/12/584948912.db2.gz GQBNPXLBVGARET-NSHDSACASA-N 1 2 246.310 2.697 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000733897068 584954847 /nfs/dbraw/zinc/95/48/47/584954847.db2.gz CWACPNBGARXBRP-SSDOTTSWSA-N 1 2 213.218 2.761 20 0 BFADLO C[C@@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000733897068 584954848 /nfs/dbraw/zinc/95/48/48/584954848.db2.gz CWACPNBGARXBRP-SSDOTTSWSA-N 1 2 213.218 2.761 20 0 BFADLO CC[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736619356 585007842 /nfs/dbraw/zinc/00/78/42/585007842.db2.gz LKNBQRZOAXNXCC-ZETCQYMHSA-N 1 2 213.218 2.761 20 0 BFADLO CC[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736619356 585007843 /nfs/dbraw/zinc/00/78/43/585007843.db2.gz LKNBQRZOAXNXCC-ZETCQYMHSA-N 1 2 213.218 2.761 20 0 BFADLO CSCC[C@@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736620187 585008261 /nfs/dbraw/zinc/00/82/61/585008261.db2.gz ADNVIWLQEAYBRW-SSDOTTSWSA-N 1 2 247.301 2.960 20 0 BFADLO CSCC[C@@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736620187 585008262 /nfs/dbraw/zinc/00/82/62/585008262.db2.gz ADNVIWLQEAYBRW-SSDOTTSWSA-N 1 2 247.301 2.960 20 0 BFADLO CC/C(C)=C/C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838957167 585080883 /nfs/dbraw/zinc/08/08/83/585080883.db2.gz YAGXWAWZDBHFRX-PKNBQFBNSA-N 1 2 248.326 2.547 20 0 BFADLO CC(C)C1(O)C[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000839132184 585093977 /nfs/dbraw/zinc/09/39/77/585093977.db2.gz CHTFAAVEPJCVBU-ARJAWSKDSA-N 1 2 249.329 2.542 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccoc2)C1 ZINC000839134277 585094057 /nfs/dbraw/zinc/09/40/57/585094057.db2.gz KIWWDSBMCRRZHC-UHFFFAOYSA-N 1 2 223.316 2.671 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1cccnc1Cl)C2 ZINC000839139024 585094544 /nfs/dbraw/zinc/09/45/44/585094544.db2.gz ASXQRGWRWRAAHI-UHFFFAOYSA-N 1 2 240.709 2.669 20 0 BFADLO CC(C)c1ncc(C[NH+]2CC(C(F)F)C2)s1 ZINC000839140556 585094569 /nfs/dbraw/zinc/09/45/69/585094569.db2.gz FOFLDMIWHJGZAQ-UHFFFAOYSA-N 1 2 246.326 2.963 20 0 BFADLO C[C@H](CC(=O)Nc1cccc2[nH+]ccn21)C1CC1 ZINC000741970769 585121242 /nfs/dbraw/zinc/12/12/42/585121242.db2.gz MMXCWFNETPNJCK-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO CC(C)c1nc(NCCOC2CCC2)cc[nH+]1 ZINC000742423942 585125968 /nfs/dbraw/zinc/12/59/68/585125968.db2.gz OTBAPKWGNAHCNL-UHFFFAOYSA-N 1 2 235.331 2.581 20 0 BFADLO Cc1nccc(Nc2ccc([NH+](C)C)cc2C)n1 ZINC000742393407 585125892 /nfs/dbraw/zinc/12/58/92/585125892.db2.gz DTCPVDDYDGHLLI-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=C(C)C(C)(C)C ZINC000742676621 585129857 /nfs/dbraw/zinc/12/98/57/585129857.db2.gz GBODADGGFRRGGD-PKNBQFBNSA-N 1 2 246.354 2.997 20 0 BFADLO CC(C)=CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000742941931 585132568 /nfs/dbraw/zinc/13/25/68/585132568.db2.gz HTHRTKWVSBHXSI-UHFFFAOYSA-N 1 2 243.310 2.786 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1Cn1cc[nH]c1=S ZINC000747462870 585179102 /nfs/dbraw/zinc/17/91/02/585179102.db2.gz OHMFLHPLANFSPO-JTQLQIEISA-N 1 2 245.351 2.706 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1Cn1cc[nH]c1=S ZINC000747462870 585179103 /nfs/dbraw/zinc/17/91/03/585179103.db2.gz OHMFLHPLANFSPO-JTQLQIEISA-N 1 2 245.351 2.706 20 0 BFADLO CCCCCC[C@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000748322540 585190687 /nfs/dbraw/zinc/19/06/87/585190687.db2.gz OXSDKZBOBSHDPZ-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCCCCC[C@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000748322540 585190688 /nfs/dbraw/zinc/19/06/88/585190688.db2.gz OXSDKZBOBSHDPZ-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO C/C=C(\C)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000750906251 585221656 /nfs/dbraw/zinc/22/16/56/585221656.db2.gz MTTGWDACMOEAEJ-NYYWCZLTSA-N 1 2 244.294 2.652 20 0 BFADLO FCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752101478 585242337 /nfs/dbraw/zinc/24/23/37/585242337.db2.gz KSVCJAPELGVLKU-SNVBAGLBSA-N 1 2 243.709 2.763 20 0 BFADLO FCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000752101478 585242338 /nfs/dbraw/zinc/24/23/38/585242338.db2.gz KSVCJAPELGVLKU-SNVBAGLBSA-N 1 2 243.709 2.763 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C1/CC[C@H](C)C1 ZINC000753600574 585263526 /nfs/dbraw/zinc/26/35/26/585263526.db2.gz QNUJSWDDLMYFHI-DFYQSJSGSA-N 1 2 246.310 2.775 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000753600575 585263578 /nfs/dbraw/zinc/26/35/78/585263578.db2.gz QNUJSWDDLMYFHI-MXBGMFSPSA-N 1 2 246.310 2.775 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCC1CCC1 ZINC000753821979 585270237 /nfs/dbraw/zinc/27/02/37/585270237.db2.gz DTBDEWVEYIMGAY-UHFFFAOYSA-N 1 2 224.329 2.589 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NCc1cn[nH]c1 ZINC000754071762 585277261 /nfs/dbraw/zinc/27/72/61/585277261.db2.gz VNYIYKZBRLRCAE-UHFFFAOYSA-N 1 2 246.314 2.594 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000754127095 585279129 /nfs/dbraw/zinc/27/91/29/585279129.db2.gz JJEUAMVTNKVSJF-NEPJUHHUSA-N 1 2 249.354 2.904 20 0 BFADLO CCCC[C@@H](CC)C(=O)OCc1c[nH+]cn1C ZINC000754688158 585289435 /nfs/dbraw/zinc/28/94/35/585289435.db2.gz WEMKLXYUOIQUOK-LLVKDONJSA-N 1 2 238.331 2.680 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(CF)cc2)o1 ZINC000755143475 585295402 /nfs/dbraw/zinc/29/54/02/585295402.db2.gz QOPXXXQAMHDCPA-SECBINFHSA-N 1 2 249.289 2.698 20 0 BFADLO CC[C@@H](C)COC(=O)c1ccc(C)[nH+]c1NC ZINC000756374697 585318560 /nfs/dbraw/zinc/31/85/60/585318560.db2.gz OBCUFJKVSZBERF-SECBINFHSA-N 1 2 236.315 2.635 20 0 BFADLO Cc1ccccc1OCC[N@@H+]1CCC=C(F)C1 ZINC000839537647 585329966 /nfs/dbraw/zinc/32/99/66/585329966.db2.gz YPMGHZCYULBBCJ-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1ccccc1OCC[N@H+]1CCC=C(F)C1 ZINC000839537647 585329967 /nfs/dbraw/zinc/32/99/67/585329967.db2.gz YPMGHZCYULBBCJ-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO CCC/C=C\C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000757686938 585344102 /nfs/dbraw/zinc/34/41/02/585344102.db2.gz GWOXEKYBCGXALO-SREVYHEPSA-N 1 2 249.310 2.798 20 0 BFADLO CC(C)CCCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000758464718 585356176 /nfs/dbraw/zinc/35/61/76/585356176.db2.gz YWSBUYXPTAWHMK-UHFFFAOYSA-N 1 2 246.310 2.927 20 0 BFADLO NC(=[NH+]OC1CCCC1)c1cccc(F)c1 ZINC000758762423 585359590 /nfs/dbraw/zinc/35/95/90/585359590.db2.gz QMPKGIPDLMEFIV-UHFFFAOYSA-N 1 2 222.263 2.615 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)oc1C ZINC000761045061 585403908 /nfs/dbraw/zinc/40/39/08/585403908.db2.gz OBXJHNWTKSFCJC-SECBINFHSA-N 1 2 248.248 2.676 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)oc1C ZINC000761045061 585403909 /nfs/dbraw/zinc/40/39/09/585403909.db2.gz OBXJHNWTKSFCJC-SECBINFHSA-N 1 2 248.248 2.676 20 0 BFADLO c1cn2cc(-c3nc(C4CCC4)no3)ccc2[nH+]1 ZINC000761649317 585417956 /nfs/dbraw/zinc/41/79/56/585417956.db2.gz MEFIHFAEUKTNFY-UHFFFAOYSA-N 1 2 240.266 2.652 20 0 BFADLO CCC1(C(=O)NC2=[NH+]CCS2)CCCCC1 ZINC000763404665 585447820 /nfs/dbraw/zinc/44/78/20/585447820.db2.gz ZYJVIHKNKDGPJS-UHFFFAOYSA-N 1 2 240.372 2.566 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)C[C@H]1CCCO1 ZINC000763553259 585450553 /nfs/dbraw/zinc/45/05/53/585450553.db2.gz KZNHCRAQNBTMRK-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)C[C@H]1CCCO1 ZINC000763553259 585450554 /nfs/dbraw/zinc/45/05/54/585450554.db2.gz KZNHCRAQNBTMRK-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO FC(F)Oc1ccc[nH+]c1NCc1ccoc1 ZINC000765945250 585494344 /nfs/dbraw/zinc/49/43/44/585494344.db2.gz ZDKNXZPWZKIMCZ-UHFFFAOYSA-N 1 2 240.209 2.888 20 0 BFADLO CC/C=C\CCOC(=O)c1ccc(C)[nH+]c1NC ZINC000767487213 585521150 /nfs/dbraw/zinc/52/11/50/585521150.db2.gz BNWVILSIYCNQTO-WAYWQWQTSA-N 1 2 248.326 2.945 20 0 BFADLO Oc1ccc2c(c1)C[N@@H+](C/C=C/Cl)CC2 ZINC000767900186 585527932 /nfs/dbraw/zinc/52/79/32/585527932.db2.gz PSLQXWWQRIRFQG-ORCRQEGFSA-N 1 2 223.703 2.503 20 0 BFADLO Oc1ccc2c(c1)C[N@H+](C/C=C/Cl)CC2 ZINC000767900186 585527933 /nfs/dbraw/zinc/52/79/33/585527933.db2.gz PSLQXWWQRIRFQG-ORCRQEGFSA-N 1 2 223.703 2.503 20 0 BFADLO CSC[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000767904673 585528210 /nfs/dbraw/zinc/52/82/10/585528210.db2.gz GQFABMPOIZZVKU-SSDOTTSWSA-N 1 2 245.285 2.714 20 0 BFADLO CSC[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000767904673 585528211 /nfs/dbraw/zinc/52/82/11/585528211.db2.gz GQFABMPOIZZVKU-SSDOTTSWSA-N 1 2 245.285 2.714 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C1(C)CCCC1 ZINC000805357567 585529573 /nfs/dbraw/zinc/52/95/73/585529573.db2.gz ZDYXVHYTCBYJGI-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO CC=CC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000769321315 585553711 /nfs/dbraw/zinc/55/37/11/585553711.db2.gz CZYKMPVCRHAZTK-UTCJRWHESA-N 1 2 241.294 2.900 20 0 BFADLO CCCCCCNC(=O)c1cccc2[nH+]ccn21 ZINC000770044839 585570033 /nfs/dbraw/zinc/57/00/33/585570033.db2.gz LPNAUSVJIMMCCW-UHFFFAOYSA-N 1 2 245.326 2.644 20 0 BFADLO CC(C)N(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000770078115 585570678 /nfs/dbraw/zinc/57/06/78/585570678.db2.gz JKJJOKJVOIDQNQ-UHFFFAOYSA-N 1 2 245.326 2.593 20 0 BFADLO C/C=C(\C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000770476457 585574720 /nfs/dbraw/zinc/57/47/20/585574720.db2.gz FDWJJDFNAGJXDO-SOFGYWHQSA-N 1 2 218.300 2.912 20 0 BFADLO O=C(/C=C\C1CCCCC1)OCCn1cc[nH+]c1 ZINC000771967610 585605756 /nfs/dbraw/zinc/60/57/56/585605756.db2.gz GQEARJBMJMXRHJ-SREVYHEPSA-N 1 2 248.326 2.563 20 0 BFADLO CCC1(C(=O)OCc2c[nH+]ccc2OC)CCC1 ZINC000805486748 585640568 /nfs/dbraw/zinc/64/05/68/585640568.db2.gz JPHILQJKRUDEPV-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO CC(C)C1(O)C[NH+]([C@H](C)c2ccccc2F)C1 ZINC000773890961 585646010 /nfs/dbraw/zinc/64/60/10/585646010.db2.gz LSNYUFZGAKGHBV-LLVKDONJSA-N 1 2 237.318 2.589 20 0 BFADLO CCn1cnnc1SCc1ccc(C)[nH+]c1C ZINC000773999896 585648209 /nfs/dbraw/zinc/64/82/09/585648209.db2.gz XGIANVQMPPEIGE-UHFFFAOYSA-N 1 2 248.355 2.602 20 0 BFADLO CC[C@@](C)([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000775392186 585677371 /nfs/dbraw/zinc/67/73/71/585677371.db2.gz YYRRYHFDLVUURI-CQSZACIVSA-N 1 2 245.326 2.793 20 0 BFADLO CCCC(C)(C)NC(=O)c1cccc2[nH+]ccn21 ZINC000776864020 585706257 /nfs/dbraw/zinc/70/62/57/585706257.db2.gz BEZLPSWKAKFYBW-UHFFFAOYSA-N 1 2 245.326 2.643 20 0 BFADLO CC(C)Oc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000776860908 585706302 /nfs/dbraw/zinc/70/63/02/585706302.db2.gz ZUPMBCOXWLHZJA-UHFFFAOYSA-N 1 2 246.310 2.914 20 0 BFADLO CCC[C@@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000776860953 585706338 /nfs/dbraw/zinc/70/63/38/585706338.db2.gz QCIJPZJUQMPEQP-LLVKDONJSA-N 1 2 245.326 2.643 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCO2)C1CCOCC1 ZINC000777035882 585707303 /nfs/dbraw/zinc/70/73/03/585707303.db2.gz AMKPAZWCBGPVKT-LLVKDONJSA-N 1 2 247.338 2.849 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000777714144 585718746 /nfs/dbraw/zinc/71/87/46/585718746.db2.gz WLCOKVUWQCFHAA-HQJQHLMTSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000777714144 585718747 /nfs/dbraw/zinc/71/87/47/585718747.db2.gz WLCOKVUWQCFHAA-HQJQHLMTSA-N 1 2 243.137 2.983 20 0 BFADLO Cn1ccnc1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000777713572 585718845 /nfs/dbraw/zinc/71/88/45/585718845.db2.gz KGCJTHKNXZPABK-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO Cn1ccnc1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000777713572 585718846 /nfs/dbraw/zinc/71/88/46/585718846.db2.gz KGCJTHKNXZPABK-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO Cl/C=C(\Cl)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778229187 585728456 /nfs/dbraw/zinc/72/84/56/585728456.db2.gz WZLSDQGBGPEMSM-JGAIRUGNSA-N 1 2 246.141 2.866 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@H]1F ZINC000778233371 585728994 /nfs/dbraw/zinc/72/89/94/585728994.db2.gz FOZCYJLXCWELTI-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1F ZINC000778233371 585728995 /nfs/dbraw/zinc/72/89/95/585728995.db2.gz FOZCYJLXCWELTI-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000778961041 585742447 /nfs/dbraw/zinc/74/24/47/585742447.db2.gz QVHGJDBFURVPIJ-UHFFFAOYSA-N 1 2 233.286 2.776 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000778961041 585742448 /nfs/dbraw/zinc/74/24/48/585742448.db2.gz QVHGJDBFURVPIJ-UHFFFAOYSA-N 1 2 233.286 2.776 20 0 BFADLO CC(C)Oc1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000779416125 585754187 /nfs/dbraw/zinc/75/41/87/585754187.db2.gz JCVFBHVPUNTPOY-NSHDSACASA-N 1 2 223.316 2.657 20 0 BFADLO C[C@@H](CCO)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000779422485 585754714 /nfs/dbraw/zinc/75/47/14/585754714.db2.gz VWQGXAGQNBTMKL-VIFPVBQESA-N 1 2 245.269 2.513 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000780736987 585783845 /nfs/dbraw/zinc/78/38/45/585783845.db2.gz CMISXRFQEKIOGK-NWDGAFQWSA-N 1 2 235.327 2.922 20 0 BFADLO CC(C)c1ccccc1C[NH2+]Cc1ccn[nH]1 ZINC000782540234 585819964 /nfs/dbraw/zinc/81/99/64/585819964.db2.gz SPRZFVDORDLKKT-UHFFFAOYSA-N 1 2 229.327 2.823 20 0 BFADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000783318388 585833588 /nfs/dbraw/zinc/83/35/88/585833588.db2.gz VPDRBXVFSVSCCQ-HZMBPMFUSA-N 1 2 233.311 2.675 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000783318391 585833730 /nfs/dbraw/zinc/83/37/30/585833730.db2.gz VPDRBXVFSVSCCQ-QMTHXVAHSA-N 1 2 233.311 2.675 20 0 BFADLO NC(=[NH+]OCCC1CC1)c1ccc(F)c(F)c1 ZINC000783555481 585836690 /nfs/dbraw/zinc/83/66/90/585836690.db2.gz VUUMTUNQPIDGSM-UHFFFAOYSA-N 1 2 240.253 2.611 20 0 BFADLO CCCCCCO[NH+]=C(N)COC(C)(C)C ZINC000783567598 585837200 /nfs/dbraw/zinc/83/72/00/585837200.db2.gz BIXGTGSBZVMSGN-UHFFFAOYSA-N 1 2 230.352 2.880 20 0 BFADLO C[C@H]1CC/C(=C\C(=O)OCCCn2cc[nH+]c2)C1 ZINC000784071242 585848601 /nfs/dbraw/zinc/84/86/01/585848601.db2.gz QPYRXQIALDBLEZ-CVCOIXHCSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1ccc(NCc2ccc(F)nc2C)c[nH+]1 ZINC000784287933 585854692 /nfs/dbraw/zinc/85/46/92/585854692.db2.gz WGOXDXCASXLJMW-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CC/C(C)=C(\C)C(=O)OCCCn1cc[nH+]c1 ZINC000784611889 585864701 /nfs/dbraw/zinc/86/47/01/585864701.db2.gz DSEZBQASBDOSCK-VAWYXSNFSA-N 1 2 236.315 2.563 20 0 BFADLO C/C=C(/CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000789640898 585947534 /nfs/dbraw/zinc/94/75/34/585947534.db2.gz GHGLYMKUCUNOBV-KMKOMSMNSA-N 1 2 229.283 2.629 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cc3ccccc3[nH]2)o1 ZINC000789748671 585949131 /nfs/dbraw/zinc/94/91/31/585949131.db2.gz WUOJTICETSDLAQ-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO CCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791269480 585975907 /nfs/dbraw/zinc/97/59/07/585975907.db2.gz PWEGTIPUPIRRQH-UHFFFAOYSA-N 1 2 244.294 2.634 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cn1nc(C(F)(F)F)cc1C ZINC000793811297 586027005 /nfs/dbraw/zinc/02/70/05/586027005.db2.gz UNMFBYDONSEPMY-VIFPVBQESA-N 1 2 247.264 2.652 20 0 BFADLO CC[C@H]1CC[N@H+]1Cn1nc(C(F)(F)F)cc1C ZINC000793811297 586027006 /nfs/dbraw/zinc/02/70/06/586027006.db2.gz UNMFBYDONSEPMY-VIFPVBQESA-N 1 2 247.264 2.652 20 0 BFADLO C1=C(C2(c3ccccc3)CC2)N2CC[NH+]=C2S1 ZINC000793990674 586029655 /nfs/dbraw/zinc/02/96/55/586029655.db2.gz BUMJLMOOSBSIIB-UHFFFAOYSA-N 1 2 242.347 2.978 20 0 BFADLO Cc1c(Cl)cnn1C[N@@H+]1CCC(C)=C(C)C1 ZINC000794880301 586053075 /nfs/dbraw/zinc/05/30/75/586053075.db2.gz JXQDJGTXMAGFOO-UHFFFAOYSA-N 1 2 239.750 2.845 20 0 BFADLO Cc1c(Cl)cnn1C[N@H+]1CCC(C)=C(C)C1 ZINC000794880301 586053076 /nfs/dbraw/zinc/05/30/76/586053076.db2.gz JXQDJGTXMAGFOO-UHFFFAOYSA-N 1 2 239.750 2.845 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000796438876 586103408 /nfs/dbraw/zinc/10/34/08/586103408.db2.gz FNEZYQJOVIUILP-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000796438876 586103409 /nfs/dbraw/zinc/10/34/09/586103409.db2.gz FNEZYQJOVIUILP-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO CCC[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccn1 ZINC000796745868 586111273 /nfs/dbraw/zinc/11/12/73/586111273.db2.gz DOFIQXQRHVCGQJ-YPMHNXCESA-N 1 2 244.342 2.997 20 0 BFADLO COCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796969462 586118002 /nfs/dbraw/zinc/11/80/02/586118002.db2.gz XNZBBKUALQIAFY-JTQLQIEISA-N 1 2 231.299 2.729 20 0 BFADLO C/C=C\C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000797775621 586130909 /nfs/dbraw/zinc/13/09/09/586130909.db2.gz GZZBYGASDYPETB-MIBUCLJRSA-N 1 2 247.342 2.533 20 0 BFADLO C/C=C/C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000797775623 586131000 /nfs/dbraw/zinc/13/10/00/586131000.db2.gz GZZBYGASDYPETB-QDBLGGKGSA-N 1 2 247.342 2.533 20 0 BFADLO CC(C)C[C@@H](C)CO[NH+]=C(N)COC(C)C ZINC000799174095 586164665 /nfs/dbraw/zinc/16/46/65/586164665.db2.gz ABPFKSRHQZOECJ-LLVKDONJSA-N 1 2 230.352 2.592 20 0 BFADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCC1(C)C ZINC000799491198 586180599 /nfs/dbraw/zinc/18/05/99/586180599.db2.gz FMENTYWCBNDLER-NEPJUHHUSA-N 1 2 239.359 2.593 20 0 BFADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CCCC1(C)C ZINC000799491198 586180601 /nfs/dbraw/zinc/18/06/01/586180601.db2.gz FMENTYWCBNDLER-NEPJUHHUSA-N 1 2 239.359 2.593 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCC23CCC3)cc1CO ZINC000800488896 586223026 /nfs/dbraw/zinc/22/30/26/586223026.db2.gz PGLCECYUYXUJPP-CQSZACIVSA-N 1 2 247.338 2.932 20 0 BFADLO CC[C@@H](C)c1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757564213 586254294 /nfs/dbraw/zinc/25/42/94/586254294.db2.gz CKPOSRYSUOGKPX-MRVPVSSYSA-N 1 2 218.304 2.537 20 0 BFADLO c1cc2cc(NC[C@@H]3CCC=CO3)[nH+]cc2[nH]1 ZINC000804630454 586404141 /nfs/dbraw/zinc/40/41/41/586404141.db2.gz CHVMCIXRDRKSNR-NSHDSACASA-N 1 2 229.283 2.668 20 0 BFADLO c1cc2cc(NC[C@H]3CCC=CO3)[nH+]cc2[nH]1 ZINC000804630453 586404263 /nfs/dbraw/zinc/40/42/63/586404263.db2.gz CHVMCIXRDRKSNR-LLVKDONJSA-N 1 2 229.283 2.668 20 0 BFADLO OCCOc1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000806157418 586406069 /nfs/dbraw/zinc/40/60/69/586406069.db2.gz RIQMEENCYWHLAU-HUUCEWRRSA-N 1 2 247.338 2.658 20 0 BFADLO ClC(Cl)=CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859642487 589051654 /nfs/dbraw/zinc/05/16/54/589051654.db2.gz XLEKMRPWIWJZKG-DTWKUNHWSA-N 1 2 236.142 2.559 20 0 BFADLO ClC(Cl)=CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859642487 589051655 /nfs/dbraw/zinc/05/16/55/589051655.db2.gz XLEKMRPWIWJZKG-DTWKUNHWSA-N 1 2 236.142 2.559 20 0 BFADLO COc1cc(NCc2cn(C)c[nH+]2)c(C)cc1C ZINC000808410119 586471575 /nfs/dbraw/zinc/47/15/75/586471575.db2.gz BYNCAGCHWNAUAO-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cn1c[nH+]c(CNc2cccc3ccn(C)c32)c1 ZINC000808408972 586471600 /nfs/dbraw/zinc/47/16/00/586471600.db2.gz RADLXLGDWXTTNN-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO COc1cc(C)c([NH2+]C[C@H](C)CO)c(C)c1C ZINC000809191632 586501009 /nfs/dbraw/zinc/50/10/09/586501009.db2.gz BFFVQXXOSPMIIL-VIFPVBQESA-N 1 2 237.343 2.661 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1Cc2ccncc2C1 ZINC000809565225 586507435 /nfs/dbraw/zinc/50/74/35/586507435.db2.gz YPAQUIIWGJAPBV-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1Cc2ccncc2C1 ZINC000809565225 586507436 /nfs/dbraw/zinc/50/74/36/586507436.db2.gz YPAQUIIWGJAPBV-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO c1cc([C@@H]2CCCC[N@H+]2Cc2ccoc2)n[nH]1 ZINC000809693026 586513196 /nfs/dbraw/zinc/51/31/96/586513196.db2.gz MJMCMNOUFJKXDT-ZDUSSCGKSA-N 1 2 231.299 2.730 20 0 BFADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccoc2)n[nH]1 ZINC000809693026 586513198 /nfs/dbraw/zinc/51/31/98/586513198.db2.gz MJMCMNOUFJKXDT-ZDUSSCGKSA-N 1 2 231.299 2.730 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714149 586514237 /nfs/dbraw/zinc/51/42/37/586514237.db2.gz AAQSBOYAYBYZFI-BXUZGUMPSA-N 1 2 235.327 2.658 20 0 BFADLO CC[C@H]([NH2+]Cc1nonc1C)c1ccccc1F ZINC000809744151 586515989 /nfs/dbraw/zinc/51/59/89/586515989.db2.gz XIWYEWLJJWDFGW-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO CC1C[NH+](Cc2ccnc(Cl)c2Cl)C1 ZINC000811498067 586559979 /nfs/dbraw/zinc/55/99/79/586559979.db2.gz JYZHPJKJQDPEKP-UHFFFAOYSA-N 1 2 231.126 2.840 20 0 BFADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCC[C@@H]1C ZINC000811751381 586566298 /nfs/dbraw/zinc/56/62/98/586566298.db2.gz FQPDTACVCPJXQU-QMMMGPOBSA-N 1 2 247.264 2.652 20 0 BFADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC[C@@H]1C ZINC000811751381 586566299 /nfs/dbraw/zinc/56/62/99/586566299.db2.gz FQPDTACVCPJXQU-QMMMGPOBSA-N 1 2 247.264 2.652 20 0 BFADLO O=C(CCCC1CC1)Nc1cccc2[nH+]ccn21 ZINC000812520236 586578570 /nfs/dbraw/zinc/57/85/70/586578570.db2.gz NFNXEZLGABETAR-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)N(C)CCO3)[C@@H]1C ZINC000813866376 586608355 /nfs/dbraw/zinc/60/83/55/586608355.db2.gz OJPFKVDSKRMIRQ-WZRBSPASSA-N 1 2 246.354 2.972 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C(F)F ZINC000816240901 586714707 /nfs/dbraw/zinc/71/47/07/586714707.db2.gz ABUHTYHZZLLNAJ-UHFFFAOYSA-N 1 2 243.253 2.822 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2conc2C)no1 ZINC000816487884 586735774 /nfs/dbraw/zinc/73/57/74/586735774.db2.gz BBEMAWSBNMZSSW-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2conc2C)no1 ZINC000816487884 586735776 /nfs/dbraw/zinc/73/57/76/586735776.db2.gz BBEMAWSBNMZSSW-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000816480724 586736197 /nfs/dbraw/zinc/73/61/97/586736197.db2.gz UWGOHCMIPBITCM-XCVCLJGOSA-N 1 2 229.283 2.629 20 0 BFADLO Cc1cc(CNC(=O)OC2CCCC2)cc(C)[nH+]1 ZINC000817140937 586783962 /nfs/dbraw/zinc/78/39/62/586783962.db2.gz AYNJBPZYMBVHIH-UHFFFAOYSA-N 1 2 248.326 2.867 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C1CC2(C1)CCCCC2 ZINC000817410840 586801984 /nfs/dbraw/zinc/80/19/84/586801984.db2.gz TYMDSJGQRANRMS-NSHDSACASA-N 1 2 239.359 2.641 20 0 BFADLO CC[C@@H]([NH2+][C@@H]1CCOC1=O)c1cc(C)ccc1C ZINC000859935827 589072252 /nfs/dbraw/zinc/07/22/52/589072252.db2.gz ZJJVGONGWLEJJR-ZIAGYGMSSA-N 1 2 247.338 2.660 20 0 BFADLO CCC[C@](C)(CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778425 586993293 /nfs/dbraw/zinc/99/32/93/586993293.db2.gz PKMRGBCCCKSALP-CABZTGNLSA-N 1 2 242.388 2.810 20 0 BFADLO Cc1ncoc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000820591876 587057235 /nfs/dbraw/zinc/05/72/35/587057235.db2.gz QMKGXACKABVERV-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO Cc1cnc(NCc2cn3ccc(C)cc3[nH+]2)o1 ZINC000820635906 587060478 /nfs/dbraw/zinc/06/04/78/587060478.db2.gz ZIFGAGALKNAUDO-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO CC/C=C(\C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823841416 587242185 /nfs/dbraw/zinc/24/21/85/587242185.db2.gz MERIWWSIQNJMNT-UXBLZVDNSA-N 1 2 218.300 2.993 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1(F)CCCC1 ZINC000823836795 587242269 /nfs/dbraw/zinc/24/22/69/587242269.db2.gz SMSFDQZUTAITPW-UHFFFAOYSA-N 1 2 236.290 2.919 20 0 BFADLO Cc1ccc(COC(=O)C23CC(C2)C3)c(C)[nH+]1 ZINC000860271647 589092407 /nfs/dbraw/zinc/09/24/07/589092407.db2.gz PHOIMTTZRDYOHM-UHFFFAOYSA-N 1 2 231.295 2.542 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccnc(Cl)c1F ZINC000824313986 587266093 /nfs/dbraw/zinc/26/60/93/587266093.db2.gz FHVBQIFZVBNRGY-OCAPTIKFSA-N 1 2 228.698 2.857 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824313986 587266094 /nfs/dbraw/zinc/26/60/94/587266094.db2.gz FHVBQIFZVBNRGY-OCAPTIKFSA-N 1 2 228.698 2.857 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824429159 587270161 /nfs/dbraw/zinc/27/01/61/587270161.db2.gz YFPIQPLJUSKEEO-SECBINFHSA-N 1 2 228.698 2.858 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000824429159 587270162 /nfs/dbraw/zinc/27/01/62/587270162.db2.gz YFPIQPLJUSKEEO-SECBINFHSA-N 1 2 228.698 2.858 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000824471557 587271458 /nfs/dbraw/zinc/27/14/58/587271458.db2.gz FDWPAMIAUNNUIL-AWEZNQCLSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000824471557 587271459 /nfs/dbraw/zinc/27/14/59/587271459.db2.gz FDWPAMIAUNNUIL-AWEZNQCLSA-N 1 2 247.317 2.887 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c(C)o1 ZINC000825017117 587299078 /nfs/dbraw/zinc/29/90/78/587299078.db2.gz MAZSTWCOKCEYDL-RNCFNFMXSA-N 1 2 245.326 2.889 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccc(OC)c2)co1 ZINC000825050351 587299504 /nfs/dbraw/zinc/29/95/04/587299504.db2.gz KZUGVLMEVFHDCJ-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO CCCCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000825543744 587324274 /nfs/dbraw/zinc/32/42/74/587324274.db2.gz AUCZTKKCSXGJND-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+](C)CC1=CCCC1 ZINC000828198784 587423814 /nfs/dbraw/zinc/42/38/14/587423814.db2.gz NQEROVNALMXWMA-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+](C)CC1=CCCC1 ZINC000828198784 587423815 /nfs/dbraw/zinc/42/38/15/587423815.db2.gz NQEROVNALMXWMA-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO Cc1cc(N2CCCCCCCC2)nc[nH+]1 ZINC000829077914 587481762 /nfs/dbraw/zinc/48/17/62/587481762.db2.gz PJQLQRDGJRZBKC-UHFFFAOYSA-N 1 2 219.332 2.946 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cn2)nc1 ZINC000831059645 587584714 /nfs/dbraw/zinc/58/47/14/587584714.db2.gz ZHZMCGQHOBSLCB-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccc(F)cn2)nc1 ZINC000831059645 587584715 /nfs/dbraw/zinc/58/47/15/587584715.db2.gz ZHZMCGQHOBSLCB-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc([N@@H+](CCCO)CC(C)C)cc1 ZINC000832361273 587656342 /nfs/dbraw/zinc/65/63/42/587656342.db2.gz WUMORYPHNPFYGN-UHFFFAOYSA-N 1 2 221.344 2.840 20 0 BFADLO Cc1ccc([N@H+](CCCO)CC(C)C)cc1 ZINC000832361273 587656343 /nfs/dbraw/zinc/65/63/43/587656343.db2.gz WUMORYPHNPFYGN-UHFFFAOYSA-N 1 2 221.344 2.840 20 0 BFADLO C[C@H]1C[C@H](NC(=O)OC2CCCC2)c2[nH+]ccn21 ZINC000832420131 587659597 /nfs/dbraw/zinc/65/95/97/587659597.db2.gz JJNWTOMUUGFBKL-ONGXEEELSA-N 1 2 249.314 2.558 20 0 BFADLO CCC[C@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271905 587704296 /nfs/dbraw/zinc/70/42/96/587704296.db2.gz KILHRSFVUVRZIP-RISCZKNCSA-N 1 2 249.358 2.661 20 0 BFADLO CCC(CC)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833284318 587704624 /nfs/dbraw/zinc/70/46/24/587704624.db2.gz HRTRZPDJEPXYIK-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCCC(CCC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833284036 587704694 /nfs/dbraw/zinc/70/46/94/587704694.db2.gz GNCOZDFGCYRJBD-LBPRGKRZSA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)(C)CCCC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833292713 587704919 /nfs/dbraw/zinc/70/49/19/587704919.db2.gz KSFYYPNHSSAEDZ-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC[C@@H](CC(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000833292863 587705228 /nfs/dbraw/zinc/70/52/28/587705228.db2.gz NYXLEMXWTACKHH-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000834836422 587768609 /nfs/dbraw/zinc/76/86/09/587768609.db2.gz NIJWVDKOKOQYMU-CMPLNLGQSA-N 1 2 245.326 2.834 20 0 BFADLO CC/C(C)=C/C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000835259721 587792988 /nfs/dbraw/zinc/79/29/88/587792988.db2.gz LJOIYYVVFBKPNE-UXBLZVDNSA-N 1 2 249.310 2.798 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000836948590 587843647 /nfs/dbraw/zinc/84/36/47/587843647.db2.gz GZJYCUIJJHLNFU-IIANPFDCSA-N 1 2 249.358 2.827 20 0 BFADLO CC(C(=O)NCc1c[nH+]c(C)cc1C)=C1CCC1 ZINC000837100612 587853714 /nfs/dbraw/zinc/85/37/14/587853714.db2.gz HHUZNYYWYISIFZ-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO C[C@@H]1CCC[C@@]1(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837934169 587903714 /nfs/dbraw/zinc/90/37/14/587903714.db2.gz NUIOHTAQZIOIJV-QMTHXVAHSA-N 1 2 248.326 2.533 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC/C=C\c1ccccc1 ZINC000842037381 587991866 /nfs/dbraw/zinc/99/18/66/587991866.db2.gz YJSRVQUFBSFPGE-XTOZHPGHSA-N 1 2 248.326 2.623 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(\C)c2ccccc2)n1 ZINC000843145464 588087047 /nfs/dbraw/zinc/08/70/47/588087047.db2.gz MOCWNEOLOLMXIT-PKNBQFBNSA-N 1 2 243.310 2.740 20 0 BFADLO CCCCOC(=O)[C@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000844420304 588191558 /nfs/dbraw/zinc/19/15/58/588191558.db2.gz VWEZMQXMERDSTP-NSHDSACASA-N 1 2 239.359 2.641 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844455100 588196274 /nfs/dbraw/zinc/19/62/74/588196274.db2.gz VUPLZBHCTYMMQR-AOOOYVTPSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844455100 588196275 /nfs/dbraw/zinc/19/62/75/588196275.db2.gz VUPLZBHCTYMMQR-AOOOYVTPSA-N 1 2 245.219 2.662 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C/Cl ZINC000844474792 588198434 /nfs/dbraw/zinc/19/84/34/588198434.db2.gz QRSJTWRUSGDWEX-QROSGCPLSA-N 1 2 247.766 2.791 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C/Cl ZINC000844474792 588198435 /nfs/dbraw/zinc/19/84/35/588198435.db2.gz QRSJTWRUSGDWEX-QROSGCPLSA-N 1 2 247.766 2.791 20 0 BFADLO COCc1cc[nH+]c(NCc2ccc(C)nc2)c1 ZINC000844709019 588214716 /nfs/dbraw/zinc/21/47/16/588214716.db2.gz OVGBLQPATPQGQU-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO C[C@H](CC(=O)OCC1CCCC1)n1cc[nH+]c1 ZINC000845280551 588225568 /nfs/dbraw/zinc/22/55/68/588225568.db2.gz JCVXQVUGZBLZMI-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO C[C@H](CC(=O)OCC1=CCCCC1)n1cc[nH+]c1 ZINC000845286213 588225777 /nfs/dbraw/zinc/22/57/77/588225777.db2.gz NZSIJBQQTIAOED-GFCCVEGCSA-N 1 2 248.326 2.878 20 0 BFADLO CCCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845492713 588230653 /nfs/dbraw/zinc/23/06/53/588230653.db2.gz HIZHMSQOCLNGIN-NEPJUHHUSA-N 1 2 238.331 2.956 20 0 BFADLO CCCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845492724 588230808 /nfs/dbraw/zinc/23/08/08/588230808.db2.gz HIZHMSQOCLNGIN-VXGBXAGGSA-N 1 2 238.331 2.956 20 0 BFADLO Cc1nc(NCC[C@@]2(C)C[C@@]2(F)Cl)cc[nH+]1 ZINC000845655112 588239893 /nfs/dbraw/zinc/23/98/93/588239893.db2.gz YUJSSVXXBVGYQI-QWRGUYRKSA-N 1 2 243.713 2.902 20 0 BFADLO CCC/C(C)=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246160 588262412 /nfs/dbraw/zinc/26/24/12/588262412.db2.gz MQBKOVUIXGGABU-MDZDMXLPSA-N 1 2 235.331 2.507 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC3CC3)ccc2O1 ZINC000846745645 588284262 /nfs/dbraw/zinc/28/42/62/588284262.db2.gz MHLFTXCURWEDTI-VIFPVBQESA-N 1 2 203.285 2.832 20 0 BFADLO Cc1cccc(CCCNc2nccs2)[nH+]1 ZINC000846749364 588284754 /nfs/dbraw/zinc/28/47/54/588284754.db2.gz YFSNHTDVVOZRPZ-UHFFFAOYSA-N 1 2 233.340 2.891 20 0 BFADLO CCC[C@@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846808532 588289947 /nfs/dbraw/zinc/28/99/47/588289947.db2.gz RIVOFWQTPPFWOR-LBPRGKRZSA-N 1 2 239.388 2.940 20 0 BFADLO CCC[C@@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846808532 588289948 /nfs/dbraw/zinc/28/99/48/588289948.db2.gz RIVOFWQTPPFWOR-LBPRGKRZSA-N 1 2 239.388 2.940 20 0 BFADLO CC[C@]1(C)CCC[N@H+](Cc2cnsn2)C1 ZINC000846807903 588290000 /nfs/dbraw/zinc/29/00/00/588290000.db2.gz FZQGLCPAIOEAGJ-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@]1(C)CCC[N@@H+](Cc2cnsn2)C1 ZINC000846807903 588290001 /nfs/dbraw/zinc/29/00/01/588290001.db2.gz FZQGLCPAIOEAGJ-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnsn2)CC12CCC2 ZINC000846842593 588292619 /nfs/dbraw/zinc/29/26/19/588292619.db2.gz WDVKKQOFSNWMIP-JTQLQIEISA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnsn2)CC12CCC2 ZINC000846842593 588292620 /nfs/dbraw/zinc/29/26/20/588292620.db2.gz WDVKKQOFSNWMIP-JTQLQIEISA-N 1 2 237.372 2.550 20 0 BFADLO Cc1ccccc1C(C)(C)[NH2+]Cc1cnsn1 ZINC000846922382 588296699 /nfs/dbraw/zinc/29/66/99/588296699.db2.gz FTGDLEWKBUSIRY-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO COc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000848537934 588394814 /nfs/dbraw/zinc/39/48/14/588394814.db2.gz POLKZAZADFOYEW-ZDUSSCGKSA-N 1 2 243.310 2.839 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCC2(CCCC2)C1 ZINC000848669881 588404555 /nfs/dbraw/zinc/40/45/55/588404555.db2.gz KQSFAKGXGIJPOB-UHFFFAOYSA-N 1 2 247.342 2.564 20 0 BFADLO CC(C)=CCOC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848783140 588413721 /nfs/dbraw/zinc/41/37/21/588413721.db2.gz UCNWXANCFCOHIS-UHFFFAOYSA-N 1 2 244.294 2.766 20 0 BFADLO CC[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781838 588413865 /nfs/dbraw/zinc/41/38/65/588413865.db2.gz PIMZPTMRLFQTFE-SNVBAGLBSA-N 1 2 232.283 2.598 20 0 BFADLO C[C@H]([NH2+][C@H]1CC[C@@H]1C)C(=O)OCc1ccccc1 ZINC000848922948 588421070 /nfs/dbraw/zinc/42/10/70/588421070.db2.gz ZXDXPHJUISYOER-OBJOEFQTSA-N 1 2 247.338 2.506 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)OCC1CC=CC1 ZINC000849690166 588486733 /nfs/dbraw/zinc/48/67/33/588486733.db2.gz CZWQZQZFOWXWOD-UHFFFAOYSA-N 1 2 246.310 2.555 20 0 BFADLO CC1=CC[C@](C)(C(=O)OCc2c[nH+]cn2C)CC1 ZINC000850869535 588572154 /nfs/dbraw/zinc/57/21/54/588572154.db2.gz XEFMJPCYTMBAOM-AWEZNQCLSA-N 1 2 248.326 2.600 20 0 BFADLO CC[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@H](C)O1 ZINC000851769256 588625358 /nfs/dbraw/zinc/62/53/58/588625358.db2.gz LOCMIJMWYOOUAF-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H](C)O1 ZINC000851769256 588625359 /nfs/dbraw/zinc/62/53/59/588625359.db2.gz LOCMIJMWYOOUAF-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](Cc1cnon1)C1CC1 ZINC000851827990 588633719 /nfs/dbraw/zinc/63/37/19/588633719.db2.gz LHBPAKTVCCIXPD-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](Cc1cnon1)C1CC1 ZINC000851827990 588633720 /nfs/dbraw/zinc/63/37/20/588633720.db2.gz LHBPAKTVCCIXPD-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO FC(F)(F)C1C[NH+](Cc2ccsc2)C1 ZINC000851856748 588635282 /nfs/dbraw/zinc/63/52/82/588635282.db2.gz AQAZGTIQMLYELI-UHFFFAOYSA-N 1 2 221.247 2.742 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccco1 ZINC000851926996 588644487 /nfs/dbraw/zinc/64/44/87/588644487.db2.gz DNVLQLBERRQQGH-SECBINFHSA-N 1 2 232.283 2.996 20 0 BFADLO c1cc(C2CC[NH+](Cc3cnon3)CC2)cs1 ZINC000851953994 588647375 /nfs/dbraw/zinc/64/73/75/588647375.db2.gz MMMRZOCWYHEIQW-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO FC(F)O[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000852017903 588655873 /nfs/dbraw/zinc/65/58/73/588655873.db2.gz GODUQZLHFOZCQH-LURJTMIESA-N 1 2 246.084 2.619 20 0 BFADLO FC(F)O[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852017903 588655874 /nfs/dbraw/zinc/65/58/74/588655874.db2.gz GODUQZLHFOZCQH-LURJTMIESA-N 1 2 246.084 2.619 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000852096712 588661846 /nfs/dbraw/zinc/66/18/46/588661846.db2.gz MWSHGINOXRANDM-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000852096712 588661847 /nfs/dbraw/zinc/66/18/47/588661847.db2.gz MWSHGINOXRANDM-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852097468 588662314 /nfs/dbraw/zinc/66/23/14/588662314.db2.gz WOELLFCWRZFKBR-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852097468 588662315 /nfs/dbraw/zinc/66/23/15/588662315.db2.gz WOELLFCWRZFKBR-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)Cc1ccccn1 ZINC000852117092 588665189 /nfs/dbraw/zinc/66/51/89/588665189.db2.gz WELSGDDSNPHLGI-UHFFFAOYSA-N 1 2 231.126 2.832 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccccn1 ZINC000852117092 588665190 /nfs/dbraw/zinc/66/51/90/588665190.db2.gz WELSGDDSNPHLGI-UHFFFAOYSA-N 1 2 231.126 2.832 20 0 BFADLO C[C@@H]([NH2+]C/C=C/Cl)c1cscn1 ZINC000852417111 588681646 /nfs/dbraw/zinc/68/16/46/588681646.db2.gz IWWQXVPKFDJBDN-TYWZFMJISA-N 1 2 202.710 2.546 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)CC1=CCCOC1 ZINC000852516051 588687417 /nfs/dbraw/zinc/68/74/17/588687417.db2.gz HMAILWYWRGFQJY-UHFFFAOYSA-N 1 2 236.142 2.584 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)CC1=CCCOC1 ZINC000852516051 588687418 /nfs/dbraw/zinc/68/74/18/588687418.db2.gz HMAILWYWRGFQJY-UHFFFAOYSA-N 1 2 236.142 2.584 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)Br)C1CC1 ZINC000852555174 588690140 /nfs/dbraw/zinc/69/01/40/588690140.db2.gz KYTDAGBSSAFWKZ-SSDOTTSWSA-N 1 2 242.107 2.752 20 0 BFADLO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccnc1F ZINC000862301992 589200475 /nfs/dbraw/zinc/20/04/75/589200475.db2.gz VPFOSVJVXCTGSO-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccnc1F ZINC000862301992 589200476 /nfs/dbraw/zinc/20/04/76/589200476.db2.gz VPFOSVJVXCTGSO-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1[nH]c(CN2CCc3cc(C)ccc32)[nH+]c1C ZINC000862304787 589200864 /nfs/dbraw/zinc/20/08/64/589200864.db2.gz SWJBNBGGCOEHHB-UHFFFAOYSA-N 1 2 241.338 2.898 20 0 BFADLO Cn1cc[nH+]c1CSC1=Nc2ccccc2C1 ZINC000119264491 589255156 /nfs/dbraw/zinc/25/51/56/589255156.db2.gz YLJHICKITNKJGB-UHFFFAOYSA-N 1 2 243.335 2.940 20 0 BFADLO Cc1cc(N)nc(SCCC(F)=C(F)F)[nH+]1 ZINC000863266668 589275279 /nfs/dbraw/zinc/27/52/79/589275279.db2.gz GAOHQHZIUJSCOM-UHFFFAOYSA-N 1 2 249.261 2.927 20 0 BFADLO CCC(=O)c1ccccc1NCc1c[nH+]cn1C ZINC000863366108 589283588 /nfs/dbraw/zinc/28/35/88/589283588.db2.gz PBVCQKQZZCIAJW-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO C[C@H]1C[C@H]1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000863455164 589288907 /nfs/dbraw/zinc/28/89/07/589288907.db2.gz XQNNQGRBBITVIT-WPRPVWTQSA-N 1 2 238.718 2.843 20 0 BFADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000863455161 589289048 /nfs/dbraw/zinc/28/90/48/589289048.db2.gz XQNNQGRBBITVIT-PSASIEDQSA-N 1 2 238.718 2.843 20 0 BFADLO CCC[C@H](C)CCCO[NH+]=C(N)[C@H](C)OC ZINC000863459707 589289814 /nfs/dbraw/zinc/28/98/14/589289814.db2.gz QZWMQGHYLLZSOY-QWRGUYRKSA-N 1 2 230.352 2.736 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccc3c(c2)OCO3)n1C ZINC000863974856 589330885 /nfs/dbraw/zinc/33/08/85/589330885.db2.gz TZTYMIHFGQXFBF-UHFFFAOYSA-N 1 2 244.294 2.939 20 0 BFADLO Clc1ccc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000863973280 589331037 /nfs/dbraw/zinc/33/10/37/589331037.db2.gz JIXFNPBQRGGPFS-UHFFFAOYSA-N 1 2 233.702 2.935 20 0 BFADLO Cc1cc(CNc2c[nH+]cc(N(C)C)c2)c(C)o1 ZINC000865294473 589420416 /nfs/dbraw/zinc/42/04/16/589420416.db2.gz KMOQHNIOOGCLIR-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO CC(C)c1nc(Cn2c[nH+]c(C(C)(C)C)c2)no1 ZINC000865376004 589428364 /nfs/dbraw/zinc/42/83/64/589428364.db2.gz UWNAECWSCIBRQQ-UHFFFAOYSA-N 1 2 248.330 2.735 20 0 BFADLO c1[nH+]c(CNc2ccccc2)cn1C1CC1 ZINC000865422754 589434947 /nfs/dbraw/zinc/43/49/47/589434947.db2.gz WCLLEKSZOYWGRW-UHFFFAOYSA-N 1 2 213.284 2.830 20 0 BFADLO CSC[C@H](C)Nc1cc(CC(C)C)[nH+]cn1 ZINC000865546953 589445395 /nfs/dbraw/zinc/44/53/95/589445395.db2.gz LIRDIRNJGGECLP-JTQLQIEISA-N 1 2 239.388 2.839 20 0 BFADLO CC(C)Cc1cc(NCCOC2CCC2)nc[nH+]1 ZINC000865563857 589446897 /nfs/dbraw/zinc/44/68/97/589446897.db2.gz BCWSGHICIWFISD-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCSC2)nc[nH+]1 ZINC000865564336 589447108 /nfs/dbraw/zinc/44/71/08/589447108.db2.gz AUGJMHVSNOKSOG-JTQLQIEISA-N 1 2 237.372 2.593 20 0 BFADLO CCCCc1cc(NCc2ncc(C)o2)nc[nH+]1 ZINC000865573412 589447962 /nfs/dbraw/zinc/44/79/62/589447962.db2.gz MSFPGAGPTDFNAE-UHFFFAOYSA-N 1 2 246.314 2.728 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2CCn3ccnc32)c(F)c1 ZINC000865582310 589448711 /nfs/dbraw/zinc/44/87/11/589448711.db2.gz GBDFUIOOBALORS-ZDUSSCGKSA-N 1 2 245.301 2.565 20 0 BFADLO CCCNc1cc(N[C@@H](C)c2ccc[nH]2)nc[nH+]1 ZINC000865647687 589454306 /nfs/dbraw/zinc/45/43/06/589454306.db2.gz HBSJZOFDUPHUOF-JTQLQIEISA-N 1 2 245.330 2.800 20 0 BFADLO CCCNc1cc(N[C@@H](C)c2ccc[nH]2)[nH+]cn1 ZINC000865647687 589454308 /nfs/dbraw/zinc/45/43/08/589454308.db2.gz HBSJZOFDUPHUOF-JTQLQIEISA-N 1 2 245.330 2.800 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000865654197 589454461 /nfs/dbraw/zinc/45/44/61/589454461.db2.gz LMEYSQQVAJBTPD-RYUDHWBXSA-N 1 2 249.358 2.655 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000865654198 589454610 /nfs/dbraw/zinc/45/46/10/589454610.db2.gz LMEYSQQVAJBTPD-VXGBXAGGSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1csc(N2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000865661374 589455026 /nfs/dbraw/zinc/45/50/26/589455026.db2.gz NEJDBWRVCGMVCA-JTQLQIEISA-N 1 2 248.355 2.770 20 0 BFADLO Clc1cc2c(nc[nH+]c2N[C@H]2[C@@H]3CCC[C@@H]32)[nH]1 ZINC000865734162 589459090 /nfs/dbraw/zinc/45/90/90/589459090.db2.gz LQTIKKNYFXAOBJ-MTBHXBHISA-N 1 2 248.717 2.773 20 0 BFADLO CCC(CC)(C[NH2+]Cc1ccn[nH]1)C(F)(F)F ZINC000865756879 589461185 /nfs/dbraw/zinc/46/11/85/589461185.db2.gz GIWUFMKHBZYVTG-UHFFFAOYSA-N 1 2 249.280 2.868 20 0 BFADLO CC(C)Cc1cc(NCCCCF)nc[nH+]1 ZINC000865820707 589463216 /nfs/dbraw/zinc/46/32/16/589463216.db2.gz AGEIEMQDBABLHS-UHFFFAOYSA-N 1 2 225.311 2.837 20 0 BFADLO CO[C@@H](CNc1cc(CC(C)C)[nH+]cn1)C1CC1 ZINC000865834323 589463905 /nfs/dbraw/zinc/46/39/05/589463905.db2.gz IAKNFWNITFMRIJ-ZDUSSCGKSA-N 1 2 249.358 2.512 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CC[C@H]2C2CC2)[nH]1 ZINC000865844455 589464587 /nfs/dbraw/zinc/46/45/87/589464587.db2.gz BQZGISMSLNDXFU-VIFPVBQESA-N 1 2 248.717 2.552 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000865871297 589466174 /nfs/dbraw/zinc/46/61/74/589466174.db2.gz GVCWEYJMCSQJFT-VCDKRKBESA-N 1 2 232.327 2.735 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]2c2ccco2)[nH+]c1 ZINC000865881402 589467134 /nfs/dbraw/zinc/46/71/34/589467134.db2.gz ZKSXXFJWRITLGF-MVWJERBFSA-N 1 2 244.294 2.696 20 0 BFADLO CCc1nc(N2CCC=C(Cl)C2)cc(C)[nH+]1 ZINC000865905789 589467920 /nfs/dbraw/zinc/46/79/20/589467920.db2.gz WPINDSXSSFLQSW-UHFFFAOYSA-N 1 2 237.734 2.680 20 0 BFADLO CC(C)c1nc(N2CCC=C(Cl)C2)cc[nH+]1 ZINC000865906421 589468003 /nfs/dbraw/zinc/46/80/03/589468003.db2.gz VANATMXCMFNZCI-UHFFFAOYSA-N 1 2 237.734 2.933 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2cnccn2)cc[nH+]1 ZINC000865928713 589469090 /nfs/dbraw/zinc/46/90/90/589469090.db2.gz KYNYUXFWNPLCHL-JTQLQIEISA-N 1 2 243.314 2.563 20 0 BFADLO CO[C@H]1CC[C@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000866072001 589474775 /nfs/dbraw/zinc/47/47/75/589474775.db2.gz RTCSFNUYTFDQPM-QWRGUYRKSA-N 1 2 245.326 2.567 20 0 BFADLO CO[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C(C)C)n2)C1 ZINC000866071238 589474937 /nfs/dbraw/zinc/47/49/37/589474937.db2.gz NPRIIKMGDPTPOM-NWDGAFQWSA-N 1 2 249.358 2.604 20 0 BFADLO CC(C)c1nc(N2CCC(C)(F)CC2)cc[nH+]1 ZINC000866100056 589476174 /nfs/dbraw/zinc/47/61/74/589476174.db2.gz FXQCELQXSSMCNR-UHFFFAOYSA-N 1 2 237.322 2.928 20 0 BFADLO CS[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000866100975 589476214 /nfs/dbraw/zinc/47/62/14/589476214.db2.gz BZWQQNWPPUPMEP-MGCOHNPYSA-N 1 2 235.356 2.660 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2ccnn2C)cc[nH+]1 ZINC000866251356 589483043 /nfs/dbraw/zinc/48/30/43/589483043.db2.gz LQTCIZFUYLJRIG-SNVBAGLBSA-N 1 2 245.330 2.507 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000866492339 589497304 /nfs/dbraw/zinc/49/73/04/589497304.db2.gz MMRKFMHDGRKVMM-GHORINQJSA-N 1 2 244.338 2.929 20 0 BFADLO CC/C=C(/F)C(=O)Nc1ccc(C)[nH+]c1C ZINC000866492571 589497555 /nfs/dbraw/zinc/49/75/55/589497555.db2.gz QBLIKTRVJGUCEF-BJMVGYQFSA-N 1 2 222.263 2.900 20 0 BFADLO c1cc(OCc2nc3c(o2)CCCC3)cc[nH+]1 ZINC000871746111 589803616 /nfs/dbraw/zinc/80/36/16/589803616.db2.gz NOCVCRQIUSYVNC-UHFFFAOYSA-N 1 2 230.267 2.527 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1C[C@@H](OC)C1 ZINC000871745454 589803676 /nfs/dbraw/zinc/80/36/76/589803676.db2.gz NWEIOBATSMYLQK-TXEJJXNPSA-N 1 2 235.327 2.756 20 0 BFADLO CC(C)(C)c1cn(C[C@H](O)c2ccccc2)c[nH+]1 ZINC000871989951 589854343 /nfs/dbraw/zinc/85/43/43/589854343.db2.gz VESJTZQVOMWWRZ-ZDUSSCGKSA-N 1 2 244.338 2.914 20 0 BFADLO CC(C)c1nc(NC[C@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000872686574 589961075 /nfs/dbraw/zinc/96/10/75/589961075.db2.gz GOSTZOLWMVDCFZ-LLVKDONJSA-N 1 2 249.358 2.827 20 0 BFADLO CC(C)OC1(CNc2cccc[nH+]2)CCC1 ZINC000872708257 589963284 /nfs/dbraw/zinc/96/32/84/589963284.db2.gz PUNWLQPPILQVLX-UHFFFAOYSA-N 1 2 220.316 2.841 20 0 BFADLO Cc1cc(N2CC[C@@](C)(C(F)(F)F)C2)nc[nH+]1 ZINC000872728789 589965538 /nfs/dbraw/zinc/96/55/38/589965538.db2.gz ZTAVEBPLQXAXFF-SNVBAGLBSA-N 1 2 245.248 2.564 20 0 BFADLO CCc1cc(Nc2cnn(CC)c2C)nc(C)[nH+]1 ZINC000872778276 589969092 /nfs/dbraw/zinc/96/90/92/589969092.db2.gz FHQLDJYUOYHKRJ-UHFFFAOYSA-N 1 2 245.330 2.616 20 0 BFADLO CCc1cc(N[C@@H](C)CCSC)nc[nH+]1 ZINC000124757982 590081149 /nfs/dbraw/zinc/08/11/49/590081149.db2.gz RUTLWGGLGFXWSX-VIFPVBQESA-N 1 2 225.361 2.593 20 0 BFADLO CCCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873958499 590081385 /nfs/dbraw/zinc/08/13/85/590081385.db2.gz WVZODVGFWLEKQU-QJPTWQEYSA-N 1 2 249.358 2.598 20 0 BFADLO CCCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873958499 590081388 /nfs/dbraw/zinc/08/13/88/590081388.db2.gz WVZODVGFWLEKQU-QJPTWQEYSA-N 1 2 249.358 2.598 20 0 BFADLO CC(C)CCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124926444 590101772 /nfs/dbraw/zinc/10/17/72/590101772.db2.gz GJCJMVFORAQSBG-LLVKDONJSA-N 1 2 222.332 2.617 20 0 BFADLO CCc1csc(N[C@H](CC)c2[nH]cc[nH+]2)n1 ZINC000125226697 590157415 /nfs/dbraw/zinc/15/74/15/590157415.db2.gz XHDJJPSRFXIQHM-SECBINFHSA-N 1 2 236.344 2.992 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000875692218 590168375 /nfs/dbraw/zinc/16/83/75/590168375.db2.gz MIUQPUWLRBNTIF-WKSBVSIWSA-N 1 2 244.338 2.929 20 0 BFADLO CCCOc1ccc(C[NH+]2CCOCC2)cc1C ZINC000876510053 590205598 /nfs/dbraw/zinc/20/55/98/590205598.db2.gz MWNZZNHHJKIERQ-UHFFFAOYSA-N 1 2 249.354 2.616 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876722984 590233401 /nfs/dbraw/zinc/23/34/01/590233401.db2.gz KAXSPIIVZKHXOW-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876722984 590233402 /nfs/dbraw/zinc/23/34/02/590233402.db2.gz KAXSPIIVZKHXOW-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO COc1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876820462 590245886 /nfs/dbraw/zinc/24/58/86/590245886.db2.gz WTNQTGWFGCXVIW-CYBMUJFWSA-N 1 2 221.300 2.676 20 0 BFADLO CN(C)c1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000876837141 590248446 /nfs/dbraw/zinc/24/84/46/590248446.db2.gz GSIATKUKHDLXDF-AWEZNQCLSA-N 1 2 234.343 2.734 20 0 BFADLO C[NH+](C)c1ccc(NCCC[C@H]2CCO2)cc1 ZINC000876837141 590248447 /nfs/dbraw/zinc/24/84/47/590248447.db2.gz GSIATKUKHDLXDF-AWEZNQCLSA-N 1 2 234.343 2.734 20 0 BFADLO FC(F)C1([NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877500506 590341826 /nfs/dbraw/zinc/34/18/26/590341826.db2.gz AESGCUYKNOLYEK-RXMQYKEDSA-N 1 2 230.085 2.568 20 0 BFADLO FC(F)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877518407 590346023 /nfs/dbraw/zinc/34/60/23/590346023.db2.gz SIKDWXBORPXMDE-UHFFFAOYSA-N 1 2 246.644 2.836 20 0 BFADLO CCOc1cc(F)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000877559735 590358595 /nfs/dbraw/zinc/35/85/95/590358595.db2.gz UECKXXIGFSNNDA-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc(F)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000877559735 590358597 /nfs/dbraw/zinc/35/85/97/590358597.db2.gz UECKXXIGFSNNDA-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COCc1cc([NH2+]C[C@@H]2C[C@H]2C)ccc1OC ZINC000877702649 590395478 /nfs/dbraw/zinc/39/54/78/590395478.db2.gz VYFYTNVNRCKKQH-MNOVXSKESA-N 1 2 235.327 2.910 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)no1 ZINC000877811944 590427127 /nfs/dbraw/zinc/42/71/27/590427127.db2.gz CTARRURNAFJAQU-JTQLQIEISA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)no1 ZINC000877811944 590427128 /nfs/dbraw/zinc/42/71/28/590427128.db2.gz CTARRURNAFJAQU-JTQLQIEISA-N 1 2 248.248 2.757 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2sccc2C1 ZINC000877925770 590449134 /nfs/dbraw/zinc/44/91/34/590449134.db2.gz KUTYUMAHBUJXLJ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1conc1C[N@H+]1CCc2sccc2C1 ZINC000877925770 590449135 /nfs/dbraw/zinc/44/91/35/590449135.db2.gz KUTYUMAHBUJXLJ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2nocc2C)cc1 ZINC000877938557 590453431 /nfs/dbraw/zinc/45/34/31/590453431.db2.gz JGAUFQFMSRBDBN-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2nocc2C)cc1 ZINC000877938557 590453434 /nfs/dbraw/zinc/45/34/34/590453434.db2.gz JGAUFQFMSRBDBN-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000878002823 590471014 /nfs/dbraw/zinc/47/10/14/590471014.db2.gz LLYBIVJVSYJWIF-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1conc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000878002823 590471016 /nfs/dbraw/zinc/47/10/16/590471016.db2.gz LLYBIVJVSYJWIF-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1scnc1Cl ZINC000878122184 590498832 /nfs/dbraw/zinc/49/88/32/590498832.db2.gz XRVILCMUIHROFR-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1scnc1Cl ZINC000878122184 590498834 /nfs/dbraw/zinc/49/88/34/590498834.db2.gz XRVILCMUIHROFR-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878199452 590523469 /nfs/dbraw/zinc/52/34/69/590523469.db2.gz AMSUHKATKARVET-SRVKXCTJSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878199452 590523470 /nfs/dbraw/zinc/52/34/70/590523470.db2.gz AMSUHKATKARVET-SRVKXCTJSA-N 1 2 247.329 2.920 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000878314940 590542355 /nfs/dbraw/zinc/54/23/55/590542355.db2.gz AWJDDZXRAIKWAT-SSDOTTSWSA-N 1 2 231.208 2.916 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000878314940 590542354 /nfs/dbraw/zinc/54/23/54/590542354.db2.gz AWJDDZXRAIKWAT-SSDOTTSWSA-N 1 2 231.208 2.916 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2C(F)F)OC1 ZINC000878321410 590545443 /nfs/dbraw/zinc/54/54/43/590545443.db2.gz QNTVIGQXYNVTIM-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2C(F)F)OC1 ZINC000878321410 590545445 /nfs/dbraw/zinc/54/54/45/590545445.db2.gz QNTVIGQXYNVTIM-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)[C@H](O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000878323436 590546511 /nfs/dbraw/zinc/54/65/11/590546511.db2.gz XTAZLLJUOGPJFC-GFCCVEGCSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)[C@H](O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000878323436 590546512 /nfs/dbraw/zinc/54/65/12/590546512.db2.gz XTAZLLJUOGPJFC-GFCCVEGCSA-N 1 2 249.345 2.761 20 0 BFADLO Cc1conc1C[NH2+][C@@H](C)c1cnccc1C ZINC000878403875 590560307 /nfs/dbraw/zinc/56/03/07/590560307.db2.gz VMHFXDGXIYQZNP-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC=C(Cl)C2)n1 ZINC000878790615 590622527 /nfs/dbraw/zinc/62/25/27/590622527.db2.gz QEIUNVJBXCLJPQ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cccc(C[N@H+]2CCC=C(Cl)C2)n1 ZINC000878790615 590622529 /nfs/dbraw/zinc/62/25/29/590622529.db2.gz QEIUNVJBXCLJPQ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CCC=C(Cl)C2)cn1 ZINC000878790938 590623729 /nfs/dbraw/zinc/62/37/29/590623729.db2.gz YKWRGZYALDKDJQ-JTQLQIEISA-N 1 2 237.734 2.674 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CCC=C(Cl)C2)cn1 ZINC000878790938 590623731 /nfs/dbraw/zinc/62/37/31/590623731.db2.gz YKWRGZYALDKDJQ-JTQLQIEISA-N 1 2 237.734 2.674 20 0 BFADLO C=C/C=C\CC[N@H+]1CCCC(F)(F)C1 ZINC000878804878 590625551 /nfs/dbraw/zinc/62/55/51/590625551.db2.gz VYHFGGHSBVOEGP-ARJAWSKDSA-N 1 2 201.260 2.850 20 0 BFADLO C=C/C=C\CC[N@@H+]1CCCC(F)(F)C1 ZINC000878804878 590625553 /nfs/dbraw/zinc/62/55/53/590625553.db2.gz VYHFGGHSBVOEGP-ARJAWSKDSA-N 1 2 201.260 2.850 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2CC23CCC3)c(C)[nH+]1 ZINC000878909537 590645801 /nfs/dbraw/zinc/64/58/01/590645801.db2.gz UNSDKIUFBKFYCY-GFCCVEGCSA-N 1 2 245.326 2.763 20 0 BFADLO c1oc(C2CC2)nc1C[NH+](C1CC1)C1CC1 ZINC000879038396 590684313 /nfs/dbraw/zinc/68/43/13/590684313.db2.gz SSPZAZFIVCTISB-UHFFFAOYSA-N 1 2 218.300 2.679 20 0 BFADLO CN(C)c1cc(CSCCCF)cc[nH+]1 ZINC000127698855 590757227 /nfs/dbraw/zinc/75/72/27/590757227.db2.gz BHXZKZHTJRFTGZ-UHFFFAOYSA-N 1 2 228.336 2.740 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1cccc(C)c1F ZINC000879414879 590764338 /nfs/dbraw/zinc/76/43/38/590764338.db2.gz MRPYOUZAURNJBN-UHFFFAOYSA-N 1 2 247.317 2.894 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1C=CCC1 ZINC000879526240 590790038 /nfs/dbraw/zinc/79/00/38/590790038.db2.gz LAFFXNJIZINLEI-GFCCVEGCSA-N 1 2 245.326 2.786 20 0 BFADLO C[C@H](C[N@H+](C)Cc1cnsn1)C(C)(C)C ZINC000880076576 590918005 /nfs/dbraw/zinc/91/80/05/590918005.db2.gz PYSJAOXKQNWXKI-SECBINFHSA-N 1 2 227.377 2.652 20 0 BFADLO C[C@H](C[N@@H+](C)Cc1cnsn1)C(C)(C)C ZINC000880076576 590918007 /nfs/dbraw/zinc/91/80/07/590918007.db2.gz PYSJAOXKQNWXKI-SECBINFHSA-N 1 2 227.377 2.652 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880238151 590961383 /nfs/dbraw/zinc/96/13/83/590961383.db2.gz QCCBJUIRLFHLSE-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880238151 590961384 /nfs/dbraw/zinc/96/13/84/590961384.db2.gz QCCBJUIRLFHLSE-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO FC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000880240585 590973795 /nfs/dbraw/zinc/97/37/95/590973795.db2.gz FSUIIGNCRHBALD-FNORWQNLSA-N 1 2 212.095 2.739 20 0 BFADLO Cc1noc(C[N@@H+]2CCc3ccsc3[C@H]2C)n1 ZINC000880377291 591016022 /nfs/dbraw/zinc/01/60/22/591016022.db2.gz RQEHYSAMXPANFS-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1noc(C[N@H+]2CCc3ccsc3[C@H]2C)n1 ZINC000880377291 591016027 /nfs/dbraw/zinc/01/60/27/591016027.db2.gz RQEHYSAMXPANFS-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO C[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C(F)F ZINC000880533222 591085259 /nfs/dbraw/zinc/08/52/59/591085259.db2.gz BFJKVCHUZPIKSP-GMSGAONNSA-N 1 2 249.688 2.617 20 0 BFADLO CCCCCCNc1cc(CO)cc[nH+]1 ZINC000881736457 591268343 /nfs/dbraw/zinc/26/83/43/591268343.db2.gz BGQYRDPUJDRUTP-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO Cc1[nH+]cnc(NCCc2ccsc2)c1C ZINC000881795441 591271573 /nfs/dbraw/zinc/27/15/73/591271573.db2.gz HIQJBELIWDRHBT-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@@H](c3ccco3)C2)c1C ZINC000881963861 591283937 /nfs/dbraw/zinc/28/39/37/591283937.db2.gz ILYZVWROQWRONF-GFCCVEGCSA-N 1 2 243.310 2.680 20 0 BFADLO Cc1[nH+]cnc(N[C@@H](C)Cc2ccncc2)c1C ZINC000882059764 591292916 /nfs/dbraw/zinc/29/29/16/591292916.db2.gz LWVHNECYNLBFGQ-JTQLQIEISA-N 1 2 242.326 2.532 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCC(F)(F)C2)c1C ZINC000882099978 591298126 /nfs/dbraw/zinc/29/81/26/591298126.db2.gz WRAIBZHBGQGCCI-VIFPVBQESA-N 1 2 227.258 2.693 20 0 BFADLO Cc1ncc(CCNc2nc[nH+]c(C)c2C)s1 ZINC000882117406 591300332 /nfs/dbraw/zinc/30/03/32/591300332.db2.gz REBIPAZSEIWFKW-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000882158367 591308235 /nfs/dbraw/zinc/30/82/35/591308235.db2.gz RSBFZDRQNZKBCL-QWHCGFSZSA-N 1 2 249.358 2.709 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CCO[C@@H](C)C2)c1C ZINC000882177295 591311874 /nfs/dbraw/zinc/31/18/74/591311874.db2.gz OHLSOIAGBGZXCZ-GXFFZTMASA-N 1 2 249.358 2.711 20 0 BFADLO CCOC1CC(CCNc2nc[nH+]c(C)c2C)C1 ZINC000882244547 591320941 /nfs/dbraw/zinc/32/09/41/591320941.db2.gz ZVCVLCVHONINSR-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NCC2CC(F)(F)C2)c1C ZINC000882390446 591341611 /nfs/dbraw/zinc/34/16/11/591341611.db2.gz ODMWDJCOYNBZHS-UHFFFAOYSA-N 1 2 227.258 2.551 20 0 BFADLO CCc1noc(C)c1CNc1nc[nH+]c(C)c1C ZINC000882401448 591343156 /nfs/dbraw/zinc/34/31/56/591343156.db2.gz XWRZNYKCUOVTKP-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO CC[C@H](C)[C@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882407910 591343870 /nfs/dbraw/zinc/34/38/70/591343870.db2.gz GMVFEHJQUSXZOJ-CABZTGNLSA-N 1 2 237.347 2.566 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1nc[nH+]c(C)c1C ZINC000882417660 591345431 /nfs/dbraw/zinc/34/54/31/591345431.db2.gz WWVPRFCGDWVCPI-MNOVXSKESA-N 1 2 205.305 2.551 20 0 BFADLO CCCc1ncc(CNc2nc[nH+]c(C)c2C)o1 ZINC000882429077 591347975 /nfs/dbraw/zinc/34/79/75/591347975.db2.gz VFMQUVRKEMEHFN-UHFFFAOYSA-N 1 2 246.314 2.646 20 0 BFADLO Cc1[nH+]cnc(N[C@H](C)c2ncccc2F)c1C ZINC000882439301 591348359 /nfs/dbraw/zinc/34/83/59/591348359.db2.gz NCILIKHBYPPOOG-SNVBAGLBSA-N 1 2 246.289 2.801 20 0 BFADLO Cc1[nH+]cnc(NCCC2CC(F)(F)C2)c1C ZINC000882435435 591348657 /nfs/dbraw/zinc/34/86/57/591348657.db2.gz CULYKYRAPTWGCH-UHFFFAOYSA-N 1 2 241.285 2.941 20 0 BFADLO Cc1[nH+]cnc(NCCOCC2CCCC2)c1C ZINC000882436588 591348899 /nfs/dbraw/zinc/34/88/99/591348899.db2.gz XXULOGJCLJFNKH-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCOC(C)(C)C2)c1C ZINC000882435531 591348921 /nfs/dbraw/zinc/34/89/21/591348921.db2.gz GUEDZWNVIOOYDA-LBPRGKRZSA-N 1 2 249.358 2.711 20 0 BFADLO C[C@]1(CCNc2cc[nH+]cc2F)C[C@@]1(F)Cl ZINC000882526064 591382284 /nfs/dbraw/zinc/38/22/84/591382284.db2.gz YMMFFSXDLAZNED-QWRGUYRKSA-N 1 2 246.688 2.759 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@]2(CC2(F)F)C1 ZINC000882532256 591382933 /nfs/dbraw/zinc/38/29/33/591382933.db2.gz YYIKRBIGKYTVDH-LLVKDONJSA-N 1 2 242.244 2.846 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@@H]1CC1(Cl)Cl ZINC000882645665 591406014 /nfs/dbraw/zinc/40/60/14/591406014.db2.gz HDESIWDLJHEZIS-SSDOTTSWSA-N 1 2 249.116 2.638 20 0 BFADLO Cc1[nH+]cnc(NCC2(C)CC(F)(F)C2)c1C ZINC000882775062 591435183 /nfs/dbraw/zinc/43/51/83/591435183.db2.gz LZNIULLGZXMEPD-UHFFFAOYSA-N 1 2 241.285 2.941 20 0 BFADLO CCC[C@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC000882778212 591436755 /nfs/dbraw/zinc/43/67/55/591436755.db2.gz ICAATUBVEDIQCS-JTQLQIEISA-N 1 2 247.346 2.602 20 0 BFADLO CC(C)c1nc(N2CCC(F)CC2)cc[nH+]1 ZINC000882807287 591446451 /nfs/dbraw/zinc/44/64/51/591446451.db2.gz PBRIRKDMZOTJLP-UHFFFAOYSA-N 1 2 223.295 2.538 20 0 BFADLO Cc1ccc(CN(C)c2ccc([C@H](C)O)c[nH+]2)o1 ZINC000213227616 591455566 /nfs/dbraw/zinc/45/55/66/591455566.db2.gz YDBPCYRZUBTIMG-NSHDSACASA-N 1 2 246.310 2.673 20 0 BFADLO CC[C@@H]1CCCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213237465 591456004 /nfs/dbraw/zinc/45/60/04/591456004.db2.gz MIMQCBASANNOCO-WCQYABFASA-N 1 2 234.343 2.904 20 0 BFADLO C[C@H](O)c1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC000213237229 591456238 /nfs/dbraw/zinc/45/62/38/591456238.db2.gz NGOXMIOWCDIXNQ-NSHDSACASA-N 1 2 234.343 2.904 20 0 BFADLO CC(C)c1c[nH]c(C[NH2+]Cc2cccc(O)c2)n1 ZINC000882953924 591483606 /nfs/dbraw/zinc/48/36/06/591483606.db2.gz BKPHPLYQUQRCMR-UHFFFAOYSA-N 1 2 245.326 2.529 20 0 BFADLO C=C/C=C\CCO[NH+]=C(N)Cc1cccs1 ZINC000882968447 591487850 /nfs/dbraw/zinc/48/78/50/591487850.db2.gz OMGFAMVNBOVBPD-ARJAWSKDSA-N 1 2 236.340 2.921 20 0 BFADLO CC(C)c1c[nH]c(CNc2ccn(C(C)C)n2)[nH+]1 ZINC000883109211 591540823 /nfs/dbraw/zinc/54/08/23/591540823.db2.gz JBYCUWQCDFSZJB-UHFFFAOYSA-N 1 2 247.346 2.923 20 0 BFADLO CC(C)c1c[nH]c(CN[C@H](C)C(F)(F)F)[nH+]1 ZINC000883120921 591542468 /nfs/dbraw/zinc/54/24/68/591542468.db2.gz RDZFEXSUKWYZKQ-SSDOTTSWSA-N 1 2 235.253 2.574 20 0 BFADLO Cc1[nH]c(CNc2cnc(C)c(C)c2)[nH+]c1C ZINC000883341201 591620295 /nfs/dbraw/zinc/62/02/95/591620295.db2.gz KLEBQGSVDDPDCH-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO Cc1cc(N[C@H](C)c2cnn(C)c2)c[nH+]c1C ZINC000883342017 591620338 /nfs/dbraw/zinc/62/03/38/591620338.db2.gz HSZZUIMCWUMVLQ-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(NC[C@H]2CCCOC2)c[nH+]c1C ZINC000883341433 591620547 /nfs/dbraw/zinc/62/05/47/591620547.db2.gz PWLZDFFVRCSRCP-GFCCVEGCSA-N 1 2 220.316 2.537 20 0 BFADLO Cc1cc(NCc2cc[nH]c2)c[nH+]c1C ZINC000883342132 591621253 /nfs/dbraw/zinc/62/12/53/591621253.db2.gz LMILZYHCLMAELX-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO COC[C@H](Nc1c[nH+]c(C)c(C)c1)C(C)C ZINC000883342094 591621488 /nfs/dbraw/zinc/62/14/88/591621488.db2.gz KJCVBJHVJWVDAL-ZDUSSCGKSA-N 1 2 222.332 2.781 20 0 BFADLO COC[C@H](Nc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000883342471 591621555 /nfs/dbraw/zinc/62/15/55/591621555.db2.gz ZECKQLQJRSEZSW-ZDUSSCGKSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@@H](C)CCn2cccn2)c[nH+]c1C ZINC000883342152 591621653 /nfs/dbraw/zinc/62/16/53/591621653.db2.gz MBVRDCHLLRSEOS-LBPRGKRZSA-N 1 2 244.342 2.786 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCOC2)c[nH+]c1C ZINC000883342234 591621825 /nfs/dbraw/zinc/62/18/25/591621825.db2.gz PGRQAJRAEZZJRV-RYUDHWBXSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCCOC2)c[nH+]c1C ZINC000883342722 591622405 /nfs/dbraw/zinc/62/24/05/591622405.db2.gz JKGZRZWRKZIXRF-CHWSQXEVSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@H](C)c2nccn2C)c[nH+]c1C ZINC000883342210 591622419 /nfs/dbraw/zinc/62/24/19/591622419.db2.gz OMOTUXGZHJPIRJ-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@@H]2COC3(CCC3)C2)c[nH+]c1C ZINC000883342942 591623367 /nfs/dbraw/zinc/62/33/67/591623367.db2.gz RURIFUJSRFUMEM-ZDUSSCGKSA-N 1 2 232.327 2.822 20 0 BFADLO Cc1cc(N[C@H]2CCCc3n[nH]cc32)c[nH+]c1C ZINC000883342964 591623905 /nfs/dbraw/zinc/62/39/05/591623905.db2.gz SWAOKTWUJRMUOW-ZDUSSCGKSA-N 1 2 242.326 2.911 20 0 BFADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000883381525 591638271 /nfs/dbraw/zinc/63/82/71/591638271.db2.gz OREFTGXYQMQCQB-KBPBESRZSA-N 1 2 245.301 2.525 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(F)F ZINC000883400078 591647686 /nfs/dbraw/zinc/64/76/86/591647686.db2.gz CWNFHWCEJWCMCA-POYBYMJQSA-N 1 2 246.688 2.966 20 0 BFADLO COC[C@@H](C)CNc1ccc([NH+](C)C)cc1C ZINC000131734734 591650367 /nfs/dbraw/zinc/65/03/67/591650367.db2.gz STGZTBNBCBRVSE-NSHDSACASA-N 1 2 236.359 2.755 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(N(C)C)cc1C ZINC000131734734 591650369 /nfs/dbraw/zinc/65/03/69/591650369.db2.gz STGZTBNBCBRVSE-NSHDSACASA-N 1 2 236.359 2.755 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000884025318 591806010 /nfs/dbraw/zinc/80/60/10/591806010.db2.gz SDCIPGZBTXWQRV-HZMBPMFUSA-N 1 2 247.342 2.819 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000884025321 591806143 /nfs/dbraw/zinc/80/61/43/591806143.db2.gz SDCIPGZBTXWQRV-YGRLFVJLSA-N 1 2 247.342 2.819 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1cn[nH]c1C ZINC000120002418 591899588 /nfs/dbraw/zinc/89/95/88/591899588.db2.gz QMVUSGXBPFWCDQ-UHFFFAOYSA-N 1 2 235.356 2.802 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1cn[nH]c1C ZINC000120002418 591899586 /nfs/dbraw/zinc/89/95/86/591899586.db2.gz QMVUSGXBPFWCDQ-UHFFFAOYSA-N 1 2 235.356 2.802 20 0 BFADLO CCc1nc(N[C@@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000884488449 591955296 /nfs/dbraw/zinc/95/52/96/591955296.db2.gz WHQDKRAOYBPOSH-JTQLQIEISA-N 1 2 243.310 2.918 20 0 BFADLO CCc1nc(NC[C@@H]2CCCC2(F)F)cc[nH+]1 ZINC000884521299 591964999 /nfs/dbraw/zinc/96/49/99/591964999.db2.gz SMMCHOBOBBLOBY-VIFPVBQESA-N 1 2 241.285 2.886 20 0 BFADLO CCc1nc(NC2(C3(C)CC3)CC2)cc[nH+]1 ZINC000884523674 591966001 /nfs/dbraw/zinc/96/60/01/591966001.db2.gz CTIDEYRFKCANKR-UHFFFAOYSA-N 1 2 217.316 2.784 20 0 BFADLO CCc1nc(NCC(C)(C)OCC2CC2)cc[nH+]1 ZINC000884530843 591968550 /nfs/dbraw/zinc/96/85/50/591968550.db2.gz VHOMBMIYCFSCMK-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000884532641 591969611 /nfs/dbraw/zinc/96/96/11/591969611.db2.gz NPHCSRNWVSUNOP-DCAQKATOSA-N 1 2 219.332 2.520 20 0 BFADLO CCc1nccc(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000884533543 591969708 /nfs/dbraw/zinc/96/97/08/591969708.db2.gz KRULCNXUCUBJBN-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO Cc1cnc(NCCc2[nH+]cc(C)cc2C)o1 ZINC000884547956 591975377 /nfs/dbraw/zinc/97/53/77/591975377.db2.gz YUZZEBQJBMIDTQ-UHFFFAOYSA-N 1 2 231.299 2.649 20 0 BFADLO CCc1nc(N[C@H](C)c2cscn2)cc[nH+]1 ZINC000884555444 591977024 /nfs/dbraw/zinc/97/70/24/591977024.db2.gz RLIPPNWBMXWHMI-MRVPVSSYSA-N 1 2 234.328 2.669 20 0 BFADLO CCc1nc(N[C@@H](CC)C2CC2)cc[nH+]1 ZINC000884557806 591978167 /nfs/dbraw/zinc/97/81/67/591978167.db2.gz ZYWHPALUJILMJW-JTQLQIEISA-N 1 2 205.305 2.640 20 0 BFADLO CCc1nc(N[C@@H]2CCCC23CC3)cc[nH+]1 ZINC000884569021 591983221 /nfs/dbraw/zinc/98/32/21/591983221.db2.gz ANEZBNJKDAWYML-SNVBAGLBSA-N 1 2 217.316 2.784 20 0 BFADLO COc1ccc2[nH+]c(N3C[C@@H]4C[C@@H]4C3)ccc2c1 ZINC000884587230 591988265 /nfs/dbraw/zinc/98/82/65/591988265.db2.gz DCILZWMQVYZWIW-TXEJJXNPSA-N 1 2 240.306 2.700 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1C[C@@H]2C[C@@H]2C1 ZINC000884588832 591988600 /nfs/dbraw/zinc/98/86/00/591988600.db2.gz OFEHRKLLEUEGAS-BETUJISGSA-N 1 2 224.307 2.999 20 0 BFADLO COC[C@@H]([NH2+]Cc1cc(C)co1)c1ccc(C)o1 ZINC000886007910 592129025 /nfs/dbraw/zinc/12/90/25/592129025.db2.gz BUKKIJGDQIYKAG-CYBMUJFWSA-N 1 2 249.310 2.967 20 0 BFADLO FC1=CCC[N@H+](CCSC(F)(F)F)C1 ZINC000886103036 592155668 /nfs/dbraw/zinc/15/56/68/592155668.db2.gz XFCORDNPKYNXKA-UHFFFAOYSA-N 1 2 229.242 2.799 20 0 BFADLO FC1=CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000886103036 592155670 /nfs/dbraw/zinc/15/56/70/592155670.db2.gz XFCORDNPKYNXKA-UHFFFAOYSA-N 1 2 229.242 2.799 20 0 BFADLO CCc1cc[nH+]cc1NCc1[nH]nc(C)c1C ZINC000886153517 592164535 /nfs/dbraw/zinc/16/45/35/592164535.db2.gz ITWYTBIIVMAYSD-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO C[C@H]([NH2+]Cc1cccs1)c1ncco1 ZINC000886275788 592191586 /nfs/dbraw/zinc/19/15/86/592191586.db2.gz MBIUFZKPUVMJSK-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886275934 592195239 /nfs/dbraw/zinc/19/52/39/592195239.db2.gz QYOMWISRFQGVPX-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886643490 592287709 /nfs/dbraw/zinc/28/77/09/592287709.db2.gz XFLZKFFKYAPEDR-NSHDSACASA-N 1 2 245.317 2.752 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000138947357 592321126 /nfs/dbraw/zinc/32/11/26/592321126.db2.gz LOYAQZVSDZMZCY-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1F)c1ncc[nH]1 ZINC000139042992 592353365 /nfs/dbraw/zinc/35/33/65/592353365.db2.gz WDMZICXKELRQTE-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO FC(F)C[N@H+](CCc1ccccn1)C1CCC1 ZINC000887098957 592441229 /nfs/dbraw/zinc/44/12/29/592441229.db2.gz KAFQBVOIGVOEFY-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)C[N@@H+](CCc1ccccn1)C1CCC1 ZINC000887098957 592441233 /nfs/dbraw/zinc/44/12/33/592441233.db2.gz KAFQBVOIGVOEFY-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO CC1(C)CO[C@@H](C[N@H+](CC(F)F)C2CCC2)C1 ZINC000887102370 592442712 /nfs/dbraw/zinc/44/27/12/592442712.db2.gz NRCNDGZFWMHSCP-LLVKDONJSA-N 1 2 247.329 2.921 20 0 BFADLO CC1(C)CO[C@@H](C[N@@H+](CC(F)F)C2CCC2)C1 ZINC000887102370 592442715 /nfs/dbraw/zinc/44/27/15/592442715.db2.gz NRCNDGZFWMHSCP-LLVKDONJSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)(C)[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102442 592443512 /nfs/dbraw/zinc/44/35/12/592443512.db2.gz PWQASNBNPLROMU-JTQLQIEISA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)(C)[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102442 592443514 /nfs/dbraw/zinc/44/35/14/592443514.db2.gz PWQASNBNPLROMU-JTQLQIEISA-N 1 2 235.318 2.513 20 0 BFADLO CC[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000301733403 592537746 /nfs/dbraw/zinc/53/77/46/592537746.db2.gz NDGHIVCJARCYBP-DOMZBBRYSA-N 1 2 248.370 2.980 20 0 BFADLO CC[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000301733403 592537750 /nfs/dbraw/zinc/53/77/50/592537750.db2.gz NDGHIVCJARCYBP-DOMZBBRYSA-N 1 2 248.370 2.980 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)s1 ZINC000335765450 634518498 /nfs/dbraw/zinc/51/84/98/634518498.db2.gz QAEVUQXVIMDVAW-GFCCVEGCSA-N 1 2 247.367 2.947 20 0 BFADLO Cc1nc2cc(-c3ccc[nH+]c3N)cnc2s1 ZINC001243474010 970763897 /nfs/dbraw/zinc/76/38/97/970763897.db2.gz HKZVAGAPLSXMIQ-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO COc1ccc2ccc(NCCF)[nH+]c2c1 ZINC000893659989 635425907 /nfs/dbraw/zinc/42/59/07/635425907.db2.gz QGCRPWIWUYXAJX-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000925826370 635434925 /nfs/dbraw/zinc/43/49/25/635434925.db2.gz NPRUDMPISAJSON-JTQLQIEISA-N 1 2 243.310 2.718 20 0 BFADLO O=C(C[C@H]1CC=CCC1)OCCCn1cc[nH+]c1 ZINC000924244635 635535294 /nfs/dbraw/zinc/53/52/94/635535294.db2.gz GDVAKLOZTTTYQA-ZDUSSCGKSA-N 1 2 248.326 2.563 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000934014544 631599207 /nfs/dbraw/zinc/59/92/07/631599207.db2.gz CXJJAAKPMUBHMY-SNVBAGLBSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000934014544 631599212 /nfs/dbraw/zinc/59/92/12/631599212.db2.gz CXJJAAKPMUBHMY-SNVBAGLBSA-N 1 2 246.137 2.560 20 0 BFADLO CCCCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000934426802 631835811 /nfs/dbraw/zinc/83/58/11/631835811.db2.gz ZDLHCATUHWNOLJ-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCc3cccnc32)no1 ZINC000091661433 632121705 /nfs/dbraw/zinc/12/17/05/632121705.db2.gz ZTPJHMWJIJUOAH-ZDUSSCGKSA-N 1 2 243.310 2.545 20 0 BFADLO CC[C@](C)(CNc1ccc([NH+](C)C)cc1)OC ZINC000319541097 635735566 /nfs/dbraw/zinc/73/55/66/635735566.db2.gz BIKIVYUODIITME-CQSZACIVSA-N 1 2 236.359 2.980 20 0 BFADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000924534148 632760193 /nfs/dbraw/zinc/76/01/93/632760193.db2.gz NZWMILWEKDVKKK-LBPRGKRZSA-N 1 2 243.310 2.545 20 0 BFADLO C/C=C/COC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180776524 633051434 /nfs/dbraw/zinc/05/14/34/633051434.db2.gz RVJMGGDRUGGTOG-NSCUHMNNSA-N 1 2 242.278 2.605 20 0 BFADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CCC2 ZINC000236598651 633110596 /nfs/dbraw/zinc/11/05/96/633110596.db2.gz BUKIAAYMTJPYHQ-AWEZNQCLSA-N 1 2 244.294 2.547 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@@H](C)[C@@H]2C)c[nH+]c1C ZINC000926856113 633237146 /nfs/dbraw/zinc/23/71/46/633237146.db2.gz QGQRXSKMDLGEQY-XHVZSJERSA-N 1 2 220.316 2.534 20 0 BFADLO CCc1cc(N2CCC=C(F)C2)nc(CC)[nH+]1 ZINC000893103763 633835978 /nfs/dbraw/zinc/83/59/78/633835978.db2.gz UJBAQVYXZQTSBZ-UHFFFAOYSA-N 1 2 235.306 2.665 20 0 BFADLO CNc1cc(N2CC[C@]3(CC[C@@H](C)C3)C2)nc[nH+]1 ZINC000893119988 633842953 /nfs/dbraw/zinc/84/29/53/633842953.db2.gz DTYRTONJVHCIFT-RISCZKNCSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@]3(CC[C@@H](C)C3)C2)[nH+]cn1 ZINC000893119988 633842956 /nfs/dbraw/zinc/84/29/56/633842956.db2.gz DTYRTONJVHCIFT-RISCZKNCSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000893122193 633843372 /nfs/dbraw/zinc/84/33/72/633843372.db2.gz VUOGDNWJSRMWHB-SRVKXCTJSA-N 1 2 246.358 2.533 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)[nH+]cn1 ZINC000893122193 633843376 /nfs/dbraw/zinc/84/33/76/633843376.db2.gz VUOGDNWJSRMWHB-SRVKXCTJSA-N 1 2 246.358 2.533 20 0 BFADLO CN(C[C@@H]1CC=CCC1)c1nccn2c[nH+]cc12 ZINC000893135104 633846023 /nfs/dbraw/zinc/84/60/23/633846023.db2.gz KJYQILFQGGRYLJ-GFCCVEGCSA-N 1 2 242.326 2.522 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1c[nH]cn1 ZINC000295138199 633847665 /nfs/dbraw/zinc/84/76/65/633847665.db2.gz LXTGYGZPVZWGNI-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000295138199 633847657 /nfs/dbraw/zinc/84/76/57/633847657.db2.gz LXTGYGZPVZWGNI-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000295138199 633847661 /nfs/dbraw/zinc/84/76/61/633847661.db2.gz LXTGYGZPVZWGNI-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c[nH]cn1 ZINC000295138199 633847663 /nfs/dbraw/zinc/84/76/63/633847663.db2.gz LXTGYGZPVZWGNI-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO CCCCNc1ccc(N2CCCC2)c[nH+]1 ZINC000310037226 634065345 /nfs/dbraw/zinc/06/53/45/634065345.db2.gz UXTZXTCIRNQTMN-UHFFFAOYSA-N 1 2 219.332 2.894 20 0 BFADLO FC(F)(F)[C@@H]1CN(c2cccc[nH+]2)CCS1 ZINC000895603458 636166224 /nfs/dbraw/zinc/16/62/24/636166224.db2.gz YMANVFBAPHXUDA-QMMMGPOBSA-N 1 2 248.273 2.566 20 0 BFADLO CCC1=C(C(=O)Nc2cc[nH+]c(C)c2)CCCO1 ZINC000191633256 634218636 /nfs/dbraw/zinc/21/86/36/634218636.db2.gz AWNBOLLBFYSJKS-UHFFFAOYSA-N 1 2 246.310 2.803 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000336462941 635158129 /nfs/dbraw/zinc/15/81/29/635158129.db2.gz PJQBHGREUGTRKO-SCZZXKLOSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1c[nH]cn1 ZINC000336462941 635158134 /nfs/dbraw/zinc/15/81/34/635158134.db2.gz PJQBHGREUGTRKO-SCZZXKLOSA-N 1 2 247.264 2.573 20 0 BFADLO CCOc1ccc(-c2c[nH]c(C)[nH+]2)cc1 ZINC000259152301 635246341 /nfs/dbraw/zinc/24/63/41/635246341.db2.gz SRYIFFCUNXCEPS-UHFFFAOYSA-N 1 2 202.257 2.784 20 0 BFADLO CC1(C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931846826 635361244 /nfs/dbraw/zinc/36/12/44/635361244.db2.gz YDRMNBPDPXBXLP-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO C[C@@H]1OCC[C@@H]1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376192 636812816 /nfs/dbraw/zinc/81/28/16/636812816.db2.gz CZACREXFIYWESU-WDEREUQCSA-N 1 2 222.332 2.606 20 0 BFADLO Cc1cccc(Cc2noc([C@@H](C)[NH+](C)C)n2)c1 ZINC000923808068 637031849 /nfs/dbraw/zinc/03/18/49/637031849.db2.gz ONFGFTKEBJICAJ-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO Cc1cc(-c2ccc(C(C)(C)O)cc2)c[nH+]c1N ZINC000904771803 637478188 /nfs/dbraw/zinc/47/81/88/637478188.db2.gz VNOQQQHEQCILLZ-UHFFFAOYSA-N 1 2 242.322 2.867 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1CO ZINC000904850735 637508887 /nfs/dbraw/zinc/50/88/87/637508887.db2.gz XVJCJDKPGSGKFZ-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N(C)C)c2)c(CO)c1 ZINC000904852116 637509238 /nfs/dbraw/zinc/50/92/38/637509238.db2.gz XXFZCMIPYDAUON-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO COc1cc(C)c(-c2[nH]cc[nH+]2)c(C)c1 ZINC000904875959 637517227 /nfs/dbraw/zinc/51/72/27/637517227.db2.gz ROCBDTBVUBZVFC-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO Cc1[nH+]cc(-c2ccc(C)cc2F)n1C ZINC000904904189 637519042 /nfs/dbraw/zinc/51/90/42/637519042.db2.gz LEGPEECPYBFKPA-UHFFFAOYSA-N 1 2 204.248 2.843 20 0 BFADLO CCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905044210 637561578 /nfs/dbraw/zinc/56/15/78/637561578.db2.gz OOOXZLFGNHWPIT-UHFFFAOYSA-N 1 2 220.316 2.537 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905383269 637783831 /nfs/dbraw/zinc/78/38/31/637783831.db2.gz HHSSXLUNKFGCOQ-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@H](C)C2CC2)c(C)[nH+]1 ZINC000906404662 638155628 /nfs/dbraw/zinc/15/56/28/638155628.db2.gz MSIMYUDJIBNSAF-JTQLQIEISA-N 1 2 246.354 2.783 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000906581966 638217904 /nfs/dbraw/zinc/21/79/04/638217904.db2.gz JVYKHKVNQQIROF-RNCFNFMXSA-N 1 2 246.354 2.925 20 0 BFADLO C[C@H](c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1)C1CC1 ZINC000923957561 638224303 /nfs/dbraw/zinc/22/43/03/638224303.db2.gz VUSPNVZYXFLWNP-FXBDTBDDSA-N 1 2 244.298 2.577 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2(C)CC2)c(C)[nH+]1 ZINC000906893075 638272042 /nfs/dbraw/zinc/27/20/42/638272042.db2.gz LBKBFAFMARIAAR-UHFFFAOYSA-N 1 2 232.327 2.537 20 0 BFADLO CCC1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000906921839 638275605 /nfs/dbraw/zinc/27/56/05/638275605.db2.gz KIEMIJZPOBTDAL-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2(C)CCC2)c(C)[nH+]1 ZINC000906923923 638276640 /nfs/dbraw/zinc/27/66/40/638276640.db2.gz OOGRLPUCTIDKSZ-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000906954826 638277667 /nfs/dbraw/zinc/27/76/67/638277667.db2.gz NTFXBINSMMDCJW-ZDUSSCGKSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)CCC2CC2)c(C)[nH+]1 ZINC000907091122 638302281 /nfs/dbraw/zinc/30/22/81/638302281.db2.gz IDMNNTLMFRNHHR-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC=C(C)CC2)c(C)[nH+]1 ZINC000907129554 638305695 /nfs/dbraw/zinc/30/56/95/638305695.db2.gz BCLODUVISHWIHD-UHFFFAOYSA-N 1 2 244.338 2.799 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000907595097 638417421 /nfs/dbraw/zinc/41/74/21/638417421.db2.gz TXZXTNLTHUZHAH-NOZJJQNGSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)[nH+]c(CN2Cc3ccncc3C2)c1 ZINC000930462015 639766254 /nfs/dbraw/zinc/76/62/54/639766254.db2.gz CXPRJZIWKRMFGW-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Clc1cccc2c1C[N@H+](CCOC1CC1)C2 ZINC000930490089 639780632 /nfs/dbraw/zinc/78/06/32/639780632.db2.gz PNSTYLQRAGWZCE-UHFFFAOYSA-N 1 2 237.730 2.835 20 0 BFADLO Clc1cccc2c1C[N@@H+](CCOC1CC1)C2 ZINC000930490089 639780641 /nfs/dbraw/zinc/78/06/41/639780641.db2.gz PNSTYLQRAGWZCE-UHFFFAOYSA-N 1 2 237.730 2.835 20 0 BFADLO CC[C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930631929 639833851 /nfs/dbraw/zinc/83/38/51/639833851.db2.gz XAYAVCDRBXCHGL-NXEZZACHSA-N 1 2 245.326 2.727 20 0 BFADLO CC[C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930631930 639833932 /nfs/dbraw/zinc/83/39/32/639833932.db2.gz XAYAVCDRBXCHGL-UWVGGRQHSA-N 1 2 245.326 2.727 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000931057554 640045458 /nfs/dbraw/zinc/04/54/58/640045458.db2.gz FQQKBKMBTIBZLO-NXEZZACHSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000931057554 640045463 /nfs/dbraw/zinc/04/54/63/640045463.db2.gz FQQKBKMBTIBZLO-NXEZZACHSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141283 640073738 /nfs/dbraw/zinc/07/37/38/640073738.db2.gz UHZYZQUBRRBTEK-NSHDSACASA-N 1 2 236.363 2.768 20 0 BFADLO CC(C)(C)CCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931141283 640073744 /nfs/dbraw/zinc/07/37/44/640073744.db2.gz UHZYZQUBRRBTEK-NSHDSACASA-N 1 2 236.363 2.768 20 0 BFADLO CC1(C)C[C@H](C[N@@H+]2CC[C@@H]2C(F)F)C(C)(C)O1 ZINC000931424498 640193010 /nfs/dbraw/zinc/19/30/10/640193010.db2.gz HQYXBVGVNQZIQF-NXEZZACHSA-N 1 2 247.329 2.920 20 0 BFADLO CC1(C)C[C@H](C[N@H+]2CC[C@@H]2C(F)F)C(C)(C)O1 ZINC000931424498 640193013 /nfs/dbraw/zinc/19/30/13/640193013.db2.gz HQYXBVGVNQZIQF-NXEZZACHSA-N 1 2 247.329 2.920 20 0 BFADLO Fc1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932525151 640562749 /nfs/dbraw/zinc/56/27/49/640562749.db2.gz DTPLIVYKPLKCSC-UHFFFAOYSA-N 1 2 230.286 2.643 20 0 BFADLO Fc1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC000932525151 640562752 /nfs/dbraw/zinc/56/27/52/640562752.db2.gz DTPLIVYKPLKCSC-UHFFFAOYSA-N 1 2 230.286 2.643 20 0 BFADLO CCCCC1([NH2+][C@H](C)C(=O)OCCC)CC1 ZINC000934207783 641102340 /nfs/dbraw/zinc/10/23/40/641102340.db2.gz WRZINQMMMYRTEZ-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO OCc1cc[nH+]c(N2CCC3(CCCC3)CC2)c1 ZINC000062955416 641116478 /nfs/dbraw/zinc/11/64/78/641116478.db2.gz HVYRHLHZFBPVRV-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO CC1CC([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000231789461 641203846 /nfs/dbraw/zinc/20/38/46/641203846.db2.gz JPDIPBBOZGNMHC-UHFFFAOYSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccon2)s1 ZINC000088052923 641283814 /nfs/dbraw/zinc/28/38/14/641283814.db2.gz WXQASKHDLQCHMX-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(NC(=O)c2cc3occc3[nH]2)cc[nH+]1 ZINC000152516677 641606094 /nfs/dbraw/zinc/60/60/94/641606094.db2.gz OOIBTYHVGQZCDG-UHFFFAOYSA-N 1 2 241.250 2.717 20 0 BFADLO c1csc(CCSCCn2cc[nH+]c2)c1 ZINC000187567277 641708139 /nfs/dbraw/zinc/70/81/39/641708139.db2.gz MBEFPTKDBYBOAQ-UHFFFAOYSA-N 1 2 238.381 2.921 20 0 BFADLO C[C@H](c1nc(CC2CCCCC2)no1)[NH+](C)C ZINC000923865047 642192043 /nfs/dbraw/zinc/19/20/43/642192043.db2.gz MFUUULMODSVWGT-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ccc(N(C)Cc2ccc(N)[nH+]c2)c(C)c1 ZINC000050816411 642337262 /nfs/dbraw/zinc/33/72/62/642337262.db2.gz WJROIBMZXLVYMD-UHFFFAOYSA-N 1 2 241.338 2.917 20 0 BFADLO C/C(=C\Cl)CSCCn1cc[nH+]c1 ZINC000308144935 642431958 /nfs/dbraw/zinc/43/19/58/642431958.db2.gz LEIVKNNELWOOCV-RMKNXTFCSA-N 1 2 216.737 2.759 20 0 BFADLO Cc1cccc(C[N@H+](C)Cn2cc(Cl)cn2)c1 ZINC000921186848 642583792 /nfs/dbraw/zinc/58/37/92/642583792.db2.gz QFEVFMLBXQOEBI-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cn2cc(Cl)cn2)c1 ZINC000921186848 642583796 /nfs/dbraw/zinc/58/37/96/642583796.db2.gz QFEVFMLBXQOEBI-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO Brc1ccoc1C[N@H+]1CC=CCC1 ZINC000306319134 642736546 /nfs/dbraw/zinc/73/65/46/642736546.db2.gz JDWPBSDTMVMRRU-UHFFFAOYSA-N 1 2 242.116 2.804 20 0 BFADLO Brc1ccoc1C[N@@H+]1CC=CCC1 ZINC000306319134 642736553 /nfs/dbraw/zinc/73/65/53/642736553.db2.gz JDWPBSDTMVMRRU-UHFFFAOYSA-N 1 2 242.116 2.804 20 0 BFADLO C[NH+](C)[C@H](C(=O)OC1CCCC1)c1ccccc1 ZINC000181969442 642932976 /nfs/dbraw/zinc/93/29/76/642932976.db2.gz FELMGPSQPZWLFY-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO C=CCCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181984558 642937904 /nfs/dbraw/zinc/93/79/04/642937904.db2.gz AEBYGBDAKMHRCD-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO c1cn(CCSC2=Nc3ccccc3C2)c[nH+]1 ZINC000160141636 643070200 /nfs/dbraw/zinc/07/02/00/643070200.db2.gz HTEASKBJKDGCAT-UHFFFAOYSA-N 1 2 243.335 2.903 20 0 BFADLO CCCC[N@H+](CCC#N)Cc1cccnc1 ZINC000078662461 643272859 /nfs/dbraw/zinc/27/28/59/643272859.db2.gz WLCLGQIDOGNOGC-UHFFFAOYSA-N 1 2 217.316 2.597 20 0 BFADLO CCCC[N@@H+](CCC#N)Cc1cccnc1 ZINC000078662461 643272866 /nfs/dbraw/zinc/27/28/66/643272866.db2.gz WLCLGQIDOGNOGC-UHFFFAOYSA-N 1 2 217.316 2.597 20 0 BFADLO COc1cc([NH2+]CC(C)(C)C)ccc1N ZINC000082523585 643334519 /nfs/dbraw/zinc/33/45/19/643334519.db2.gz OBGNXIFIOUTWTO-UHFFFAOYSA-N 1 2 208.305 2.735 20 0 BFADLO Cc1cc(C)c(NC(=O)C(=O)C(C)(C)C)c(C)[nH+]1 ZINC000733915237 643479080 /nfs/dbraw/zinc/47/90/80/643479080.db2.gz ZOJJCQFJDKQBPH-UHFFFAOYSA-N 1 2 248.326 2.561 20 0 BFADLO C/C=C(/C=C/C(=O)OCc1ccc[nH+]c1N)CC ZINC000922537573 644016006 /nfs/dbraw/zinc/01/60/06/644016006.db2.gz GAGGNIDLOITUHT-ZMSWCZRLSA-N 1 2 246.310 2.620 20 0 BFADLO C/C=C(/C=C\C(=O)OCc1ccc(N)[nH+]c1)CC ZINC000922538261 644016498 /nfs/dbraw/zinc/01/64/98/644016498.db2.gz MHFOOHVFTGUXAS-RMPJALIQSA-N 1 2 246.310 2.620 20 0 BFADLO C[C@H]1CCC[C@H]1CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922614090 644041807 /nfs/dbraw/zinc/04/18/07/644041807.db2.gz HINXXFVARZHLLB-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922774201 644091467 /nfs/dbraw/zinc/09/14/67/644091467.db2.gz XIEZMRLBFOXDED-VXGBXAGGSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)CCCC(=O)OCc1ccc[nH+]c1N ZINC000922774206 644091495 /nfs/dbraw/zinc/09/14/95/644091495.db2.gz XILXOUPJFZQQEG-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO C[C@H]1CCC[C@@]1(C)C(=O)OCc1ccc[nH+]c1N ZINC000922771067 644092350 /nfs/dbraw/zinc/09/23/50/644092350.db2.gz WPVGMMCOGIQRPD-IINYFYTJSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194974744 644355615 /nfs/dbraw/zinc/35/56/15/644355615.db2.gz RBFOJDNRCFYFAP-TZMCWYRMSA-N 1 2 249.354 2.877 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccon2)Cc2ccccc21 ZINC000740874080 644562190 /nfs/dbraw/zinc/56/21/90/644562190.db2.gz XTVOLHLFCHBYIA-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccon2)Cc2ccccc21 ZINC000740874080 644562195 /nfs/dbraw/zinc/56/21/95/644562195.db2.gz XTVOLHLFCHBYIA-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1CCC[N@H+](Cn2ncsc2=S)CC1 ZINC000748081546 644588197 /nfs/dbraw/zinc/58/81/97/644588197.db2.gz ALDYEVNFMFXWFD-SECBINFHSA-N 1 2 243.401 2.754 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cn2ncsc2=S)CC1 ZINC000748081546 644588208 /nfs/dbraw/zinc/58/82/08/644588208.db2.gz ALDYEVNFMFXWFD-SECBINFHSA-N 1 2 243.401 2.754 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000754144994 644609837 /nfs/dbraw/zinc/60/98/37/644609837.db2.gz SEYYPHREQHLNCQ-GHMZBOCLSA-N 1 2 232.327 2.583 20 0 BFADLO c1csc([C@@H]2C[N@H+](Cc3ccoc3)CCO2)c1 ZINC000092594674 644662332 /nfs/dbraw/zinc/66/23/32/644662332.db2.gz NGQOVPNUGFZOPW-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO c1csc([C@@H]2C[N@@H+](Cc3ccoc3)CCO2)c1 ZINC000092594674 644662338 /nfs/dbraw/zinc/66/23/38/644662338.db2.gz NGQOVPNUGFZOPW-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094954912 644735050 /nfs/dbraw/zinc/73/50/50/644735050.db2.gz WJOIUCURENXRPV-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC[NH2+]Cc1noc(C[C@@H]2CCCC[C@@H]2C)n1 ZINC000843145268 644865892 /nfs/dbraw/zinc/86/58/92/644865892.db2.gz HOLXOEPZEBSTNO-QWRGUYRKSA-N 1 2 237.347 2.548 20 0 BFADLO Cc1cc(CNC(=O)C=C2CCCC2)cc(C)[nH+]1 ZINC000817458383 644983531 /nfs/dbraw/zinc/98/35/31/644983531.db2.gz FXHHFJQNSXJDRN-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO C/C=C(/CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458085 644983856 /nfs/dbraw/zinc/98/38/56/644983856.db2.gz BEQFOAPGHPAMHP-ACAGNQJTSA-N 1 2 232.327 2.671 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ncco2)cc(C)n1 ZINC000926600637 645306542 /nfs/dbraw/zinc/30/65/42/645306542.db2.gz KHSPZBRRVOOODK-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ccccc1OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844267763 645319571 /nfs/dbraw/zinc/31/95/71/645319571.db2.gz BKCQMIXGOLFWLV-GFCCVEGCSA-N 1 2 244.294 2.748 20 0 BFADLO Cc1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000844267921 645319738 /nfs/dbraw/zinc/31/97/38/645319738.db2.gz DNWMSONQGOPYFE-LBPRGKRZSA-N 1 2 244.294 2.748 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C)c2nonc2C)c1 ZINC000926655633 645339829 /nfs/dbraw/zinc/33/98/29/645339829.db2.gz NMZJGAVJYAEEHE-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000926662972 645342602 /nfs/dbraw/zinc/34/26/02/645342602.db2.gz SLKRWXGRPSHUIM-YUTCNCBUSA-N 1 2 244.338 2.995 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(C2CC2)cc1 ZINC000851873500 645469015 /nfs/dbraw/zinc/46/90/15/645469015.db2.gz BFNWQXLJFFXTBR-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(C2CC2)cc1 ZINC000851873500 645469020 /nfs/dbraw/zinc/46/90/20/645469020.db2.gz BFNWQXLJFFXTBR-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO c1[nH]nnc1C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000859232080 645678655 /nfs/dbraw/zinc/67/86/55/645678655.db2.gz FLQZUCNQUOEFEV-UHFFFAOYSA-N 1 2 248.374 2.643 20 0 BFADLO c1n[nH]nc1C[NH2+]C(C1CCCC1)C1CCCC1 ZINC000859232080 645678664 /nfs/dbraw/zinc/67/86/64/645678664.db2.gz FLQZUCNQUOEFEV-UHFFFAOYSA-N 1 2 248.374 2.643 20 0 BFADLO CCS[C@@H](C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923953782 645964953 /nfs/dbraw/zinc/96/49/53/645964953.db2.gz YIIPKHOPKKVMBY-SFYZADRCSA-N 1 2 229.349 2.506 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1ccco1 ZINC000929138580 645966799 /nfs/dbraw/zinc/96/67/99/645966799.db2.gz MHXNJRBWDWAYFA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccco1 ZINC000929138580 645966802 /nfs/dbraw/zinc/96/68/02/645966802.db2.gz MHXNJRBWDWAYFA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO C[C@H](c1ncccn1)[N@H+](C)Cc1cccs1 ZINC000929207467 646005478 /nfs/dbraw/zinc/00/54/78/646005478.db2.gz LBVGXQVJMUJBAL-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+](C)Cc1cccs1 ZINC000929207467 646005486 /nfs/dbraw/zinc/00/54/86/646005486.db2.gz LBVGXQVJMUJBAL-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+](C)Cc1cccs1 ZINC000929207466 646006608 /nfs/dbraw/zinc/00/66/08/646006608.db2.gz LBVGXQVJMUJBAL-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+](C)Cc1cccs1 ZINC000929207466 646006610 /nfs/dbraw/zinc/00/66/10/646006610.db2.gz LBVGXQVJMUJBAL-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccccc2)c(C)[nH+]1 ZINC000929212886 646008219 /nfs/dbraw/zinc/00/82/19/646008219.db2.gz UXGCVJOHDFOKQU-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CC(C)c1nsc(C[NH+]2CCC(C)CC2)n1 ZINC000929215703 646015540 /nfs/dbraw/zinc/01/55/40/646015540.db2.gz QPBBIFOYGQMOHQ-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CCCCC1(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000924425066 646032487 /nfs/dbraw/zinc/03/24/87/646032487.db2.gz LRXSYUKYVKDACN-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CCCCC1(C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000924426275 646035588 /nfs/dbraw/zinc/03/55/88/646035588.db2.gz OESPRTDPNXGMRO-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CCc1ccccc1C[NH2+][C@H](C)c1nonc1C ZINC000925110754 646186408 /nfs/dbraw/zinc/18/64/08/646186408.db2.gz CQFGFUMXENBMID-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccns2)on1 ZINC000925127205 646188826 /nfs/dbraw/zinc/18/88/26/646188826.db2.gz FRMVYGIBPXSDQR-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CC[C@]1(C)CCC[N@H+](Cc2nncs2)C1 ZINC000929749606 646279865 /nfs/dbraw/zinc/27/98/65/646279865.db2.gz PZEZHVVLLQZNDN-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@]1(C)CCC[N@@H+](Cc2nncs2)C1 ZINC000929749606 646279872 /nfs/dbraw/zinc/27/98/72/646279872.db2.gz PZEZHVVLLQZNDN-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO Cc1cn(C)nc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000929767700 646296101 /nfs/dbraw/zinc/29/61/01/646296101.db2.gz UZUHGYZHUOEHSM-GFCCVEGCSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cn(C)nc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000929767700 646296105 /nfs/dbraw/zinc/29/61/05/646296105.db2.gz UZUHGYZHUOEHSM-GFCCVEGCSA-N 1 2 241.338 2.805 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000929785683 646314019 /nfs/dbraw/zinc/31/40/19/646314019.db2.gz AVCRRYHGUFAXNH-OCCSQVGLSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000929785683 646314023 /nfs/dbraw/zinc/31/40/23/646314023.db2.gz AVCRRYHGUFAXNH-OCCSQVGLSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccns1 ZINC000925599141 646351765 /nfs/dbraw/zinc/35/17/65/646351765.db2.gz QGBJPVHBAKDJCA-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CC(C)[N@H+](CCCc1cccnc1)CC(F)F ZINC000929856937 646357401 /nfs/dbraw/zinc/35/74/01/646357401.db2.gz ZAVXRFOLFNGBHK-UHFFFAOYSA-N 1 2 242.313 2.990 20 0 BFADLO CC(C)[N@@H+](CCCc1cccnc1)CC(F)F ZINC000929856937 646357408 /nfs/dbraw/zinc/35/74/08/646357408.db2.gz ZAVXRFOLFNGBHK-UHFFFAOYSA-N 1 2 242.313 2.990 20 0 BFADLO CC(C)c1nsc(C[N@H+](C)CCC2CC2)n1 ZINC000930064110 646415894 /nfs/dbraw/zinc/41/58/94/646415894.db2.gz FMPAZDDRKDKODQ-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nsc(C[N@@H+](C)CCC2CC2)n1 ZINC000930064110 646415902 /nfs/dbraw/zinc/41/59/02/646415902.db2.gz FMPAZDDRKDKODQ-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@H](C)c2cccnc2)o1 ZINC000930118973 646443147 /nfs/dbraw/zinc/44/31/47/646443147.db2.gz KCTJVEQEOYUWLL-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@H](C)c2cccnc2)o1 ZINC000930118973 646443153 /nfs/dbraw/zinc/44/31/53/646443153.db2.gz KCTJVEQEOYUWLL-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000930118974 646443271 /nfs/dbraw/zinc/44/32/71/646443271.db2.gz KCTJVEQEOYUWLL-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000930118974 646443277 /nfs/dbraw/zinc/44/32/77/646443277.db2.gz KCTJVEQEOYUWLL-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CCC[C@H]2C(F)F)c1 ZINC000930129201 646451317 /nfs/dbraw/zinc/45/13/17/646451317.db2.gz LDMGWLCDTMIWQI-LBPRGKRZSA-N 1 2 240.297 2.928 20 0 BFADLO Fc1cccc(CC[N@H+]2CCC=C(F)C2)c1 ZINC000930176598 646480660 /nfs/dbraw/zinc/48/06/60/646480660.db2.gz XZKWGWHBQFUPGR-UHFFFAOYSA-N 1 2 223.266 2.927 20 0 BFADLO Fc1cccc(CC[N@@H+]2CCC=C(F)C2)c1 ZINC000930176598 646480664 /nfs/dbraw/zinc/48/06/64/646480664.db2.gz XZKWGWHBQFUPGR-UHFFFAOYSA-N 1 2 223.266 2.927 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1nncs1 ZINC000930184401 646482846 /nfs/dbraw/zinc/48/28/46/646482846.db2.gz NKYSYZODIWTWBP-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nncs2)cc1 ZINC000930189534 646484445 /nfs/dbraw/zinc/48/44/45/646484445.db2.gz XBJYOALMUXSOTQ-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cc(N[C@@H]2COC[C@H]2C)ccc1[NH+](C)C ZINC000926052553 646565635 /nfs/dbraw/zinc/56/56/35/646565635.db2.gz JKHYVXZTUMBFNO-DGCLKSJQSA-N 1 2 234.343 2.508 20 0 BFADLO CC[C@@H]1COC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000926052784 646565893 /nfs/dbraw/zinc/56/58/93/646565893.db2.gz OGEIQWUVZRAXSS-OCCSQVGLSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000926368812 646628660 /nfs/dbraw/zinc/62/86/60/646628660.db2.gz FFQQBFAFVMUZDC-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)C[C@@H]2C)c(C)[nH+]1 ZINC000724778415 711612718 /nfs/dbraw/zinc/61/27/18/711612718.db2.gz YYGXJKJGXVTLFD-QMMMGPOBSA-N 1 2 243.301 2.646 20 0 BFADLO CC(C)OC(=O)[C@H](C)[NH2+]C1CC2(C1)CCCC2 ZINC000894759360 711772125 /nfs/dbraw/zinc/77/21/25/711772125.db2.gz XFKMGYPIXTZDNK-NSHDSACASA-N 1 2 239.359 2.639 20 0 BFADLO COCC(C)(C)CNc1ccc([NH+](C)C)cc1 ZINC000700613990 712002647 /nfs/dbraw/zinc/00/26/47/712002647.db2.gz TYMPDMDSVNXMEM-UHFFFAOYSA-N 1 2 236.359 2.837 20 0 BFADLO c1ccc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000717076278 712628924 /nfs/dbraw/zinc/62/89/24/712628924.db2.gz CQKJOKZMBKQDJV-QJPTWQEYSA-N 1 2 202.301 2.930 20 0 BFADLO Cn1cc(C(C)(C)[NH2+]C/C(Cl)=C/Cl)cn1 ZINC000380000358 712651440 /nfs/dbraw/zinc/65/14/40/712651440.db2.gz MIGNIIVFPNNMDE-WTKPLQERSA-N 1 2 248.157 2.564 20 0 BFADLO CCOCC[N@H+](CC)C/C(Cl)=C/Cl ZINC000388216912 711054529 /nfs/dbraw/zinc/05/45/29/711054529.db2.gz GRNIGGLTTCJOFF-CLFYSBASSA-N 1 2 226.147 2.664 20 0 BFADLO CCOCC[N@@H+](CC)C/C(Cl)=C/Cl ZINC000388216912 711054531 /nfs/dbraw/zinc/05/45/31/711054531.db2.gz GRNIGGLTTCJOFF-CLFYSBASSA-N 1 2 226.147 2.664 20 0 BFADLO FC(F)[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000388268148 711054812 /nfs/dbraw/zinc/05/48/12/711054812.db2.gz GEOWVZAUGGHIGF-CFYVXFRNSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000388268148 711054814 /nfs/dbraw/zinc/05/48/14/711054814.db2.gz GEOWVZAUGGHIGF-CFYVXFRNSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000388268142 711054411 /nfs/dbraw/zinc/05/44/11/711054411.db2.gz GEOWVZAUGGHIGF-BTJAISLDSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000388268142 711054415 /nfs/dbraw/zinc/05/44/15/711054415.db2.gz GEOWVZAUGGHIGF-BTJAISLDSA-N 1 2 230.085 2.892 20 0 BFADLO c1ccc(N[C@H](C2CC2)[C@@H]2CCCOC2)[nH+]c1 ZINC000723868285 711540388 /nfs/dbraw/zinc/54/03/88/711540388.db2.gz DWBMMPJBMNUILO-TZMCWYRMSA-N 1 2 232.327 2.699 20 0 BFADLO CCCCC1([NH2+][C@H](C)c2noc(C)n2)CC1 ZINC000934203579 711575321 /nfs/dbraw/zinc/57/53/21/711575321.db2.gz RWPQOIRVFZEIBV-SECBINFHSA-N 1 2 223.320 2.751 20 0 BFADLO CC(C)COC(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000181424076 711697371 /nfs/dbraw/zinc/69/73/71/711697371.db2.gz UVAMQZQMMZQVLC-CYBMUJFWSA-N 1 2 249.354 2.879 20 0 BFADLO CC(C)COC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000181424076 711697372 /nfs/dbraw/zinc/69/73/72/711697372.db2.gz UVAMQZQMMZQVLC-CYBMUJFWSA-N 1 2 249.354 2.879 20 0 BFADLO C[C@H]([NH2+]Cc1ccoc1)c1cn2c(n1)CCCC2 ZINC000924749922 711802588 /nfs/dbraw/zinc/80/25/88/711802588.db2.gz QZAFYOOSCFYYRZ-NSHDSACASA-N 1 2 245.326 2.663 20 0 BFADLO Cc1cc(C)[nH+]c(CN(C)Cc2nccs2)c1 ZINC000929767473 711852797 /nfs/dbraw/zinc/85/27/97/711852797.db2.gz FTNNKGAUQBYJMO-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO COCC(C)(C)C[NH2+]c1ccc(N(C)C)cc1 ZINC000700613990 712002645 /nfs/dbraw/zinc/00/26/45/712002645.db2.gz TYMPDMDSVNXMEM-UHFFFAOYSA-N 1 2 236.359 2.837 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000705259177 712126952 /nfs/dbraw/zinc/12/69/52/712126952.db2.gz PXPNMCWTODGXJU-OLZOCXBDSA-N 1 2 246.354 2.591 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(Br)o1 ZINC000706788724 712155398 /nfs/dbraw/zinc/15/53/98/712155398.db2.gz KVIIJQYFYWXGMW-JGVFFNPUSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(Br)o1 ZINC000706788724 712155400 /nfs/dbraw/zinc/15/54/00/712155400.db2.gz KVIIJQYFYWXGMW-JGVFFNPUSA-N 1 2 244.132 2.882 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2nocc2C)c1 ZINC000708333799 712187955 /nfs/dbraw/zinc/18/79/55/712187955.db2.gz DJEVQRUKAQYSFB-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nocc1C ZINC000708334560 712188195 /nfs/dbraw/zinc/18/81/95/712188195.db2.gz IYFMMNOFLCAJQP-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1COC[C@@H]1C ZINC000710903032 712262070 /nfs/dbraw/zinc/26/20/70/712262070.db2.gz XXSQEFKXBRPAJI-FZMZJTMJSA-N 1 2 234.343 2.508 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCC2(CCC2)O1 ZINC000711453108 712303852 /nfs/dbraw/zinc/30/38/52/712303852.db2.gz JNGOCPVWQONFOH-NSHDSACASA-N 1 2 248.326 2.604 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1F ZINC000379176434 712371303 /nfs/dbraw/zinc/37/13/03/712371303.db2.gz QSAFVAVACZWTHX-ZWNOBZJWSA-N 1 2 245.301 2.818 20 0 BFADLO Clc1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC000707005068 712372602 /nfs/dbraw/zinc/37/26/02/712372602.db2.gz VEEOVTPBIGEXLZ-OIBJUYFYSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccc(Cl)c(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC000707005068 712372604 /nfs/dbraw/zinc/37/26/04/712372604.db2.gz VEEOVTPBIGEXLZ-OIBJUYFYSA-N 1 2 243.137 2.983 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NC1CCOCC1 ZINC000036934700 712521115 /nfs/dbraw/zinc/52/11/15/712521115.db2.gz KCFJRAMMQOWXEB-UHFFFAOYSA-N 1 2 234.343 2.652 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccns1 ZINC000715995827 712551207 /nfs/dbraw/zinc/55/12/07/712551207.db2.gz DRMUTEKFNBHBKA-KXUCPTDWSA-N 1 2 248.355 2.696 20 0 BFADLO c1nnc([C@@H]2CCC[N@H+]2CCC2=CCCCC2)[nH]1 ZINC000931143887 712713803 /nfs/dbraw/zinc/71/38/03/712713803.db2.gz ZHNUGVSGLNGTHB-ZDUSSCGKSA-N 1 2 246.358 2.832 20 0 BFADLO c1nnc([C@@H]2CCC[N@@H+]2CCC2=CCCCC2)[nH]1 ZINC000931143887 712713804 /nfs/dbraw/zinc/71/38/04/712713804.db2.gz ZHNUGVSGLNGTHB-ZDUSSCGKSA-N 1 2 246.358 2.832 20 0 BFADLO C[C@H]([NH2+]Cc1cn[nH]c1)c1c(F)cccc1F ZINC000038005686 712798817 /nfs/dbraw/zinc/79/88/17/712798817.db2.gz DEOULWSRCOJBRZ-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H](COCc1ccccc1)Cn1cc[nH+]c1 ZINC000719160763 712799764 /nfs/dbraw/zinc/79/97/64/712799764.db2.gz TUYUMIFZVIPKBK-CYBMUJFWSA-N 1 2 230.311 2.736 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)C(F)F ZINC000720733361 712862956 /nfs/dbraw/zinc/86/29/56/712862956.db2.gz AOBAYBGITAEJIZ-IUCAKERBSA-N 1 2 241.281 2.753 20 0 BFADLO CCN(CC(C)(C)O)c1ccc(C(C)C)c[nH+]1 ZINC001167160092 957501719 /nfs/dbraw/zinc/50/17/19/957501719.db2.gz MNBFAYTWHPPHOY-UHFFFAOYSA-N 1 2 236.359 2.802 20 0 BFADLO CCCC1CC[NH+](Cc2cn[nH]c2C)CC1 ZINC000724774117 959430465 /nfs/dbraw/zinc/43/04/65/959430465.db2.gz ATCGCMKYAWAHAW-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO C[C@@H]1CCC[C@H](C)[C@H]1Oc1ccc[nH+]c1N ZINC001218352646 959988528 /nfs/dbraw/zinc/98/85/28/959988528.db2.gz JMUXOSAZWIMSCH-IAZYJMLFSA-N 1 2 220.316 2.867 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(Cl)ccc1N ZINC001140716715 960531678 /nfs/dbraw/zinc/53/16/78/960531678.db2.gz YIHVKYVXCMRRQQ-LDYMZIIASA-N 1 2 242.725 2.855 20 0 BFADLO CCCCC1CC[NH+](Cc2csnn2)CC1 ZINC001140995090 960792177 /nfs/dbraw/zinc/79/21/77/960792177.db2.gz DPTJZBDAIBQKFI-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)nc1Cl ZINC001141131925 960879493 /nfs/dbraw/zinc/87/94/93/960879493.db2.gz PHTGZEWZPIQFGU-SSDOTTSWSA-N 1 2 246.141 2.768 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1ncc(Cl)nc1Cl ZINC001141131925 960879500 /nfs/dbraw/zinc/87/95/00/960879500.db2.gz PHTGZEWZPIQFGU-SSDOTTSWSA-N 1 2 246.141 2.768 20 0 BFADLO [NH2+]=CNc1cc(C2(C(F)(F)F)CC2)ccn1 ZINC001167865288 961338725 /nfs/dbraw/zinc/33/87/25/961338725.db2.gz NQFOTNMFGYZTHT-UHFFFAOYSA-N 1 2 229.205 2.694 20 0 BFADLO C[C@@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)C1 ZINC001155214103 963011531 /nfs/dbraw/zinc/01/15/31/963011531.db2.gz VUMFZEGHRPQFSB-MRVPVSSYSA-N 1 2 225.723 2.554 20 0 BFADLO CC[C@@H](C)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001168000199 963220640 /nfs/dbraw/zinc/22/06/40/963220640.db2.gz RRMRUPOZESTPIR-MRVPVSSYSA-N 1 2 219.288 2.782 20 0 BFADLO CCCN(C)c1cc(C)[nH+]c(C(C)(C)C)n1 ZINC001156881769 963478076 /nfs/dbraw/zinc/47/80/76/963478076.db2.gz KNLQPXLRGUBKOI-UHFFFAOYSA-N 1 2 221.348 2.929 20 0 BFADLO FC(F)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001161811636 964764417 /nfs/dbraw/zinc/76/44/17/964764417.db2.gz QNUCIHXCFNMWNB-UHFFFAOYSA-N 1 2 223.226 2.549 20 0 BFADLO Cc1cc2cc(NCC(F)F)[nH+]cc2[nH]1 ZINC001161809932 964764472 /nfs/dbraw/zinc/76/44/72/964764472.db2.gz SPPGPDFYVDIDIX-UHFFFAOYSA-N 1 2 211.215 2.548 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cncs2)oc1C ZINC001204539434 967040134 /nfs/dbraw/zinc/04/01/34/967040134.db2.gz PPDKTTFKTJWQLK-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cncs2)oc1C ZINC001204539434 967040141 /nfs/dbraw/zinc/04/01/41/967040141.db2.gz PPDKTTFKTJWQLK-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001206013805 967941090 /nfs/dbraw/zinc/94/10/90/967941090.db2.gz AVMLKFMSQZSKEN-JGVFFNPUSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(O)c(F)c1F ZINC001206013805 967941115 /nfs/dbraw/zinc/94/11/15/967941115.db2.gz AVMLKFMSQZSKEN-JGVFFNPUSA-N 1 2 227.254 2.511 20 0 BFADLO C[NH+](C)Cc1nc2ccc(C(F)F)cc2[nH]1 ZINC001250566305 968084897 /nfs/dbraw/zinc/08/48/97/968084897.db2.gz GUQVTRSROXYTGA-UHFFFAOYSA-N 1 2 225.242 2.562 20 0 BFADLO CS[C@H](C)CC[N@@H+]1CCCC(F)(F)C1 ZINC001208141083 969059008 /nfs/dbraw/zinc/05/90/08/969059008.db2.gz YPQWSQSSSSAPEG-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CS[C@H](C)CC[N@H+]1CCCC(F)(F)C1 ZINC001208141083 969059019 /nfs/dbraw/zinc/05/90/19/969059019.db2.gz YPQWSQSSSSAPEG-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1nc(C[N@@H+](C)CC2(C)CCCCC2)no1 ZINC001208896463 969286670 /nfs/dbraw/zinc/28/66/70/969286670.db2.gz LZNPGTWXDUBOOZ-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1nc(C[N@H+](C)CC2(C)CCCCC2)no1 ZINC001208896463 969286679 /nfs/dbraw/zinc/28/66/79/969286679.db2.gz LZNPGTWXDUBOOZ-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001209555160 969541143 /nfs/dbraw/zinc/54/11/43/969541143.db2.gz VHMRVZGUKGTBPZ-SECBINFHSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001209555160 969541148 /nfs/dbraw/zinc/54/11/48/969541148.db2.gz VHMRVZGUKGTBPZ-SECBINFHSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1c[nH+]cc(Nc2nccnc2Cl)c1C ZINC001213523622 970347867 /nfs/dbraw/zinc/34/78/67/970347867.db2.gz XJQZJTBZPIZWBJ-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc[nH+]c(C)c1OC1CCSCC1 ZINC001227259492 975336315 /nfs/dbraw/zinc/33/63/15/975336315.db2.gz IZDGFZQCHODQQP-UHFFFAOYSA-N 1 2 223.341 2.973 20 0 BFADLO Cc1ccccc1[N@H+]1C(=N)C=C(Cl)C=C1N ZINC001173815211 975570281 /nfs/dbraw/zinc/57/02/81/975570281.db2.gz KEYVJJSZCKWCSC-UHFFFAOYSA-N 1 2 233.702 2.501 20 0 BFADLO Cc1ccccc1[N@@H+]1C(=N)C=C(Cl)C=C1N ZINC001173815211 975570301 /nfs/dbraw/zinc/57/03/01/975570301.db2.gz KEYVJJSZCKWCSC-UHFFFAOYSA-N 1 2 233.702 2.501 20 0 BFADLO Cc1c(C[N@H+]2C[C@@H](F)C[C@H]2C)ccnc1Cl ZINC001232750872 978261279 /nfs/dbraw/zinc/26/12/79/978261279.db2.gz GCJFZYSDYFPGGA-KCJUWKMLSA-N 1 2 242.725 2.976 20 0 BFADLO Cc1c(C[N@@H+]2C[C@@H](F)C[C@H]2C)ccnc1Cl ZINC001232750872 978261290 /nfs/dbraw/zinc/26/12/90/978261290.db2.gz GCJFZYSDYFPGGA-KCJUWKMLSA-N 1 2 242.725 2.976 20 0 BFADLO Cc1cnsc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001233319018 978556895 /nfs/dbraw/zinc/55/68/95/978556895.db2.gz ZCXKRSYWXZEWDA-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cnsc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001233319018 978556902 /nfs/dbraw/zinc/55/69/02/978556902.db2.gz ZCXKRSYWXZEWDA-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccoc2)C[C@@H]1F ZINC001204241287 978688507 /nfs/dbraw/zinc/68/85/07/978688507.db2.gz FKDWMNOGRUENKK-QWRGUYRKSA-N 1 2 215.243 2.552 20 0 BFADLO Cc1cc(C(F)(F)F)ccc1OC1C[NH+](C)C1 ZINC001234915465 978929473 /nfs/dbraw/zinc/92/94/73/978929473.db2.gz IMPMEOWZKAHFBQ-UHFFFAOYSA-N 1 2 245.244 2.707 20 0 BFADLO CCn1cnc(Cl)c1C[N@@H+]1CCC=C(C)C1 ZINC001181258548 979025339 /nfs/dbraw/zinc/02/53/39/979025339.db2.gz YVYZJGWAEQXKAD-UHFFFAOYSA-N 1 2 239.750 2.708 20 0 BFADLO CCn1cnc(Cl)c1C[N@H+]1CCC=C(C)C1 ZINC001181258548 979025342 /nfs/dbraw/zinc/02/53/42/979025342.db2.gz YVYZJGWAEQXKAD-UHFFFAOYSA-N 1 2 239.750 2.708 20 0 BFADLO CC[N@H+](Cc1cncc(F)c1Cl)C1CC1 ZINC001235493042 979054829 /nfs/dbraw/zinc/05/48/29/979054829.db2.gz QJRHBGSJVZRQNV-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CC[N@@H+](Cc1cncc(F)c1Cl)C1CC1 ZINC001235493042 979054833 /nfs/dbraw/zinc/05/48/33/979054833.db2.gz QJRHBGSJVZRQNV-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO Cc1c(C[NH+]2CC(C(F)F)C2)ccc(F)c1F ZINC001237165092 979825064 /nfs/dbraw/zinc/82/50/64/979825064.db2.gz GWMLUHYKAHWTDU-UHFFFAOYSA-N 1 2 247.235 2.970 20 0 BFADLO CCc1ncc(C[N@@H+]2C[C@@H](F)C[C@H]2C)s1 ZINC001237820889 980071395 /nfs/dbraw/zinc/07/13/95/980071395.db2.gz GUPCKADVMCGJRY-BDAKNGLRSA-N 1 2 228.336 2.638 20 0 BFADLO CCc1ncc(C[N@H+]2C[C@@H](F)C[C@H]2C)s1 ZINC001237820889 980071407 /nfs/dbraw/zinc/07/14/07/980071407.db2.gz GUPCKADVMCGJRY-BDAKNGLRSA-N 1 2 228.336 2.638 20 0 BFADLO FC(F)(F)c1ncc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC001237942668 980113068 /nfs/dbraw/zinc/11/30/68/980113068.db2.gz IVKAMHQUHWQAAC-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO FC(F)(F)c1ncc(C[N@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC001237942668 980113078 /nfs/dbraw/zinc/11/30/78/980113078.db2.gz IVKAMHQUHWQAAC-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO Cc1cc(C[NH+]2CCSCC2)ncc1Cl ZINC001238420055 980248569 /nfs/dbraw/zinc/24/85/69/980248569.db2.gz RRCFMSHTEGHVEX-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO CC(C)Oc1c(F)ccc(C[NH+]2CCC2)c1F ZINC001238532930 980287116 /nfs/dbraw/zinc/28/71/16/980287116.db2.gz UCWOCNHSYWZIFA-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO CNc1cc(-c2ccc(C)nc2C)cc[nH+]1 ZINC001239468357 980597296 /nfs/dbraw/zinc/59/72/96/980597296.db2.gz CDXXCDCQUHSQJG-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CCc1cn(C[C@@H]2CCC3(CCC3)O2)c[nH+]1 ZINC001190103445 980847618 /nfs/dbraw/zinc/84/76/18/980847618.db2.gz LQIAIFBOAHIENT-LBPRGKRZSA-N 1 2 220.316 2.547 20 0 BFADLO CCCC[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001346746521 980898335 /nfs/dbraw/zinc/89/83/35/980898335.db2.gz DWXDUFLKWGGLFN-NSHDSACASA-N 1 2 238.331 2.773 20 0 BFADLO COc1c(C)cc(-c2[nH]cc[nH+]2)cc1C ZINC001242018479 983220870 /nfs/dbraw/zinc/22/08/70/983220870.db2.gz OXQZXCZTOSJWBE-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO C[C@@]1(F)CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308120 983620291 /nfs/dbraw/zinc/62/02/91/983620291.db2.gz SYOHETFRZSDEEB-JGVFFNPUSA-N 1 2 231.208 2.711 20 0 BFADLO C[C@@]1(F)CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308120 983620302 /nfs/dbraw/zinc/62/03/02/983620302.db2.gz SYOHETFRZSDEEB-JGVFFNPUSA-N 1 2 231.208 2.711 20 0 BFADLO CC(C)OCC[C@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001172443592 974805275 /nfs/dbraw/zinc/80/52/75/974805275.db2.gz OBMLMYOJKFCLAB-NSHDSACASA-N 1 2 229.339 2.624 20 0 BFADLO Oc1cc(F)c(C[NH+]2CCC(F)CC2)c(F)c1 ZINC001144542438 972861945 /nfs/dbraw/zinc/86/19/45/972861945.db2.gz XQPMQBJYEZAMIG-UHFFFAOYSA-N 1 2 245.244 2.604 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2ncc[nH]2)cc1 ZINC001243474519 970766147 /nfs/dbraw/zinc/76/61/47/970766147.db2.gz YMKXBBMSRGVSFO-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)cc(F)c1F ZINC001243476620 970769364 /nfs/dbraw/zinc/76/93/64/970769364.db2.gz UQCWDDXRBVJDKS-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2csnc2c1 ZINC001243476433 970770040 /nfs/dbraw/zinc/77/00/40/970770040.db2.gz SAXXMIAGDWADIO-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(Cl)c(O)c1 ZINC001243581818 970823594 /nfs/dbraw/zinc/82/35/94/970823594.db2.gz VGIKYRJUEDPNHG-YALUOGEHSA-N 1 2 209.676 2.921 20 0 BFADLO CCc1cc(N(C)c2[nH+]cccc2N)ccc1N ZINC001216036891 970908832 /nfs/dbraw/zinc/90/88/32/970908832.db2.gz QUEXDJKBWBLHET-UHFFFAOYSA-N 1 2 242.326 2.576 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(OC)c(N)c1 ZINC001216255590 971006721 /nfs/dbraw/zinc/00/67/21/971006721.db2.gz IRYSURNEVIOJMK-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO c1cc(C2=C[NH2+]CCC2)nc(C2CCCC2)n1 ZINC001243948333 971034588 /nfs/dbraw/zinc/03/45/88/971034588.db2.gz BEBCLXBZWPXMRL-UHFFFAOYSA-N 1 2 229.327 2.859 20 0 BFADLO O=c1ccc2cccc(C3=C[NH2+]CCC3)c2o1 ZINC001243950520 971044876 /nfs/dbraw/zinc/04/48/76/971044876.db2.gz XNPAKKUHKUMNGQ-UHFFFAOYSA-N 1 2 227.263 2.517 20 0 BFADLO CC(C)[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001257218165 971135140 /nfs/dbraw/zinc/13/51/40/971135140.db2.gz RRXJDQLHXBRNCV-UHFFFAOYSA-N 1 2 236.403 2.734 20 0 BFADLO Cc1cncc(-c2c[nH+]c3c(c2)CCCN3)c1C ZINC001244153375 971138651 /nfs/dbraw/zinc/13/86/51/971138651.db2.gz UIGMFIDPSOVYFD-UHFFFAOYSA-N 1 2 239.322 2.761 20 0 BFADLO CCCCCCOC(=O)C[NH2+][C@H](C)CCC ZINC001257310255 971203932 /nfs/dbraw/zinc/20/39/32/971203932.db2.gz AIEWRTVPGHPUOW-GFCCVEGCSA-N 1 2 229.364 2.888 20 0 BFADLO CN(C)c1cc(-c2cc(F)ccc2N)cc[nH+]1 ZINC001244399217 971244361 /nfs/dbraw/zinc/24/43/61/971244361.db2.gz KLPRPJQLKKUFCK-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO CCCCCC[C@@H](CC)[NH+]1CC(F)(CO)C1 ZINC001170591219 971295826 /nfs/dbraw/zinc/29/58/26/971295826.db2.gz ALNHOHJJALJLCZ-GFCCVEGCSA-N 1 2 231.355 2.752 20 0 BFADLO CCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001170602548 971322213 /nfs/dbraw/zinc/32/22/13/971322213.db2.gz CFZIHQLNSZWKRB-AGIUHOORSA-N 1 2 239.359 2.735 20 0 BFADLO CCCCCC[C@@H](CC)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001170602548 971322219 /nfs/dbraw/zinc/32/22/19/971322219.db2.gz CFZIHQLNSZWKRB-AGIUHOORSA-N 1 2 239.359 2.735 20 0 BFADLO CCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001257425181 971325874 /nfs/dbraw/zinc/32/58/74/971325874.db2.gz LUNPJIQYISRAGE-GHMZBOCLSA-N 1 2 215.312 2.568 20 0 BFADLO CCCC[C@@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001257425181 971325881 /nfs/dbraw/zinc/32/58/81/971325881.db2.gz LUNPJIQYISRAGE-GHMZBOCLSA-N 1 2 215.312 2.568 20 0 BFADLO C[N@@H+]1CCCC[C@H]1c1nnc(C2CCCC2)o1 ZINC001257525108 971446875 /nfs/dbraw/zinc/44/68/75/971446875.db2.gz QWLHDPXFHSMCTI-NSHDSACASA-N 1 2 235.331 2.884 20 0 BFADLO C[N@H+]1CCCC[C@H]1c1nnc(C2CCCC2)o1 ZINC001257525108 971446877 /nfs/dbraw/zinc/44/68/77/971446877.db2.gz QWLHDPXFHSMCTI-NSHDSACASA-N 1 2 235.331 2.884 20 0 BFADLO CC(C)OC1CCC([NH+]2CC(C)(F)C2)CC1 ZINC001257879828 971516435 /nfs/dbraw/zinc/51/64/35/971516435.db2.gz RIDMXLKNRCOKNI-UHFFFAOYSA-N 1 2 229.339 2.766 20 0 BFADLO Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1F ZINC001218005542 971570036 /nfs/dbraw/zinc/57/00/36/971570036.db2.gz LILPXJTUXXBNPV-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO FC1(F)C[NH2+]CC[C@@H]1Oc1cccc(Cl)c1 ZINC001218004901 971570090 /nfs/dbraw/zinc/57/00/90/971570090.db2.gz GNDHAIRGDFGDDV-JTQLQIEISA-N 1 2 247.672 2.716 20 0 BFADLO Cc1cccc(C)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218007888 971570901 /nfs/dbraw/zinc/57/09/01/971570901.db2.gz RYIPCFMQBLMSSE-LLVKDONJSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218044312 971587974 /nfs/dbraw/zinc/58/79/74/971587974.db2.gz TUNDMVJNFVCJFP-NOZJJQNGSA-N 1 2 237.368 2.661 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)c1ccccc1F ZINC001133681993 971591384 /nfs/dbraw/zinc/59/13/84/971591384.db2.gz FLJJVBTUXXNXOJ-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121654 971605307 /nfs/dbraw/zinc/60/53/07/971605307.db2.gz WUFQQWNLKZVXIO-KGLIPLIRSA-N 1 2 249.379 2.805 20 0 BFADLO CC(C)CC[C@H](C)Oc1ccc[nH+]c1N ZINC001218293775 971693019 /nfs/dbraw/zinc/69/30/19/971693019.db2.gz GDHPLEGIRQCIJU-JTQLQIEISA-N 1 2 208.305 2.867 20 0 BFADLO CC1(C)C[NH2+]CC[C@H]1Oc1cccc(S)c1 ZINC001218312437 971701927 /nfs/dbraw/zinc/70/19/27/971701927.db2.gz BPEKDFWWGAUHIN-GFCCVEGCSA-N 1 2 237.368 2.742 20 0 BFADLO Nc1cc[nH+]c(O[C@H]2CCc3ccccc3C2)c1 ZINC001218319293 971705975 /nfs/dbraw/zinc/70/59/75/971705975.db2.gz HVGTZUZNTFDPFA-AWEZNQCLSA-N 1 2 240.306 2.600 20 0 BFADLO C[C@H]1CC[C@@H](Oc2cc(N)cc[nH+]2)CC1 ZINC001218357394 971729623 /nfs/dbraw/zinc/72/96/23/971729623.db2.gz XKCKXJJXDLGUQM-JGZJWPJOSA-N 1 2 206.289 2.621 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[NH2+]C[C@H]1C ZINC001218418460 971795289 /nfs/dbraw/zinc/79/52/89/971795289.db2.gz ZLAPSAKFOVNEGB-MFKMUULPSA-N 1 2 237.368 2.661 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218461660 971824292 /nfs/dbraw/zinc/82/42/92/971824292.db2.gz SRUWDVMLALBWRC-MPKXVKKWSA-N 1 2 249.379 2.661 20 0 BFADLO Cc1nc2c(cccc2-c2c[nH+]c(N)c(C)c2)[nH]1 ZINC001245539156 971854082 /nfs/dbraw/zinc/85/40/82/971854082.db2.gz RYEMWOAMKGXHKA-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2ccc3cnncc3c2)c[nH+]c1N ZINC001245536382 971849153 /nfs/dbraw/zinc/84/91/53/971849153.db2.gz JGQDDKZECFLLMQ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CSCc1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC000309925456 971884505 /nfs/dbraw/zinc/88/45/05/971884505.db2.gz VCKVZBQQASVSTJ-NSHDSACASA-N 1 2 238.356 2.536 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)[nH+]c2cc[nH]c21 ZINC001170833106 971947120 /nfs/dbraw/zinc/94/71/20/971947120.db2.gz VFDMXRRXTYBOTA-WDEREUQCSA-N 1 2 245.326 2.708 20 0 BFADLO C[C@H](C[N@@H+]1CCC[C@@H](F)C(=O)C1)c1ccccc1 ZINC001207899489 956878033 /nfs/dbraw/zinc/87/80/33/956878033.db2.gz BZLUYJHYOKLZOQ-TZMCWYRMSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@H](C[N@H+]1CCC[C@@H](F)C(=O)C1)c1ccccc1 ZINC001207899489 956878036 /nfs/dbraw/zinc/87/80/36/956878036.db2.gz BZLUYJHYOKLZOQ-TZMCWYRMSA-N 1 2 249.329 2.793 20 0 BFADLO CC/C=C\CCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001208134396 956994645 /nfs/dbraw/zinc/99/46/45/956994645.db2.gz JSEXPFSAUCDYAL-MVZIDQBPSA-N 1 2 247.329 2.825 20 0 BFADLO CC/C=C\CCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001208134396 956994678 /nfs/dbraw/zinc/99/46/78/956994678.db2.gz JSEXPFSAUCDYAL-MVZIDQBPSA-N 1 2 247.329 2.825 20 0 BFADLO Cc1ccc([C@@H](C)CC[NH+]2CC3(CCO3)C2)o1 ZINC001208154229 957035611 /nfs/dbraw/zinc/03/56/11/957035611.db2.gz DYIYJBHRZPKZMS-NSHDSACASA-N 1 2 235.327 2.556 20 0 BFADLO Cc1cc(C)c(Nc2ccc(O)cc2O)c[nH+]1 ZINC001213513566 957079092 /nfs/dbraw/zinc/07/90/92/957079092.db2.gz WCTCMXZNKPMQHR-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO C[N@H+](Cc1cccc(O)c1)Cc1ccncc1F ZINC001206783274 957087195 /nfs/dbraw/zinc/08/71/95/957087195.db2.gz ABNSZWDVTXBHSM-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1cccc(O)c1)Cc1ccncc1F ZINC001206783274 957087214 /nfs/dbraw/zinc/08/72/14/957087214.db2.gz ABNSZWDVTXBHSM-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO F[C@H]1C[N@H+](Cc2ccccn2)CCCC1(F)F ZINC001204055664 972252546 /nfs/dbraw/zinc/25/25/46/972252546.db2.gz IKGWDRPXXLSIPT-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO F[C@H]1C[N@@H+](Cc2ccccn2)CCCC1(F)F ZINC001204055664 972252553 /nfs/dbraw/zinc/25/25/53/972252553.db2.gz IKGWDRPXXLSIPT-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO COc1ccc(C)[nH+]c1N(C)C[C@@H]1CC1(C)C ZINC001167092898 957281745 /nfs/dbraw/zinc/28/17/45/957281745.db2.gz WLXNYUIONAZOAT-NSHDSACASA-N 1 2 234.343 2.881 20 0 BFADLO CC[N@H+](Cc1ccnnc1)Cc1ccccc1F ZINC001139983666 957290905 /nfs/dbraw/zinc/29/09/05/957290905.db2.gz FSKZIYPZDDDEHF-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccnnc1)Cc1ccccc1F ZINC001139983666 957290919 /nfs/dbraw/zinc/29/09/19/957290919.db2.gz FSKZIYPZDDDEHF-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CCN(CC(C)(C)O)c1cccc(C2CC2)[nH+]1 ZINC001167159449 957499267 /nfs/dbraw/zinc/49/92/67/957499267.db2.gz FFPGEXMUAXXEAF-UHFFFAOYSA-N 1 2 234.343 2.556 20 0 BFADLO CCc1cc(Nc2ccc3[nH]c[nH+]c3c2)on1 ZINC001209844481 957541076 /nfs/dbraw/zinc/54/10/76/957541076.db2.gz NYLCJICDMHXVLF-UHFFFAOYSA-N 1 2 228.255 2.857 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001204507556 957756394 /nfs/dbraw/zinc/75/63/94/957756394.db2.gz FUUMSVKHGXYBNB-JTQLQIEISA-N 1 2 235.302 2.688 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001204507556 957756400 /nfs/dbraw/zinc/75/64/00/957756400.db2.gz FUUMSVKHGXYBNB-JTQLQIEISA-N 1 2 235.302 2.688 20 0 BFADLO O=C1CC(Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC001167335945 957788010 /nfs/dbraw/zinc/78/80/10/957788010.db2.gz LQPQNOYPKWXMKO-UHFFFAOYSA-N 1 2 230.242 2.517 20 0 BFADLO O=C1CC(Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001167335998 957788868 /nfs/dbraw/zinc/78/88/68/957788868.db2.gz NSTSYMMDWMNXHT-UHFFFAOYSA-N 1 2 230.242 2.517 20 0 BFADLO CCn1cc(Nc2cc(C)[nH+]c(OC)c2)c(C)n1 ZINC001210775694 957875318 /nfs/dbraw/zinc/87/53/18/957875318.db2.gz IXQCLNNXRQMCCK-UHFFFAOYSA-N 1 2 246.314 2.667 20 0 BFADLO CCCn1nccc1Nc1cc(C)[nH+]c(OC)c1 ZINC001210914414 957938122 /nfs/dbraw/zinc/93/81/22/957938122.db2.gz BNEXGTFXPVDNNP-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO Cc1ccc(Nc2cccc(NC(N)=O)c2)[nH+]c1 ZINC001211012235 957989138 /nfs/dbraw/zinc/98/91/38/957989138.db2.gz CIZCOTOSQAGVOA-UHFFFAOYSA-N 1 2 242.282 2.624 20 0 BFADLO COC1(C)C[NH+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136978991 972309317 /nfs/dbraw/zinc/30/93/17/972309317.db2.gz BSSQQZCABBPSGQ-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO Cc1occc1Nc1ccn2cc[nH+]c2c1 ZINC001211239020 958095310 /nfs/dbraw/zinc/09/53/10/958095310.db2.gz OLKBWLZZIFDCGL-UHFFFAOYSA-N 1 2 213.240 2.979 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(Cl)nn2)c1C ZINC001213523188 958201292 /nfs/dbraw/zinc/20/12/92/958201292.db2.gz NEVOYLWSMAIWBN-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCCCC[C@@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246456998 972328005 /nfs/dbraw/zinc/32/80/05/972328005.db2.gz BXGPXFRNZKDVNA-GHMZBOCLSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246456998 972328016 /nfs/dbraw/zinc/32/80/16/972328016.db2.gz BXGPXFRNZKDVNA-GHMZBOCLSA-N 1 2 234.334 2.542 20 0 BFADLO Cc1c(F)cc(F)cc1C[NH+]1CC(C(F)F)C1 ZINC001143776041 972361137 /nfs/dbraw/zinc/36/11/37/972361137.db2.gz QYOVSGKUBJCKIS-UHFFFAOYSA-N 1 2 247.235 2.970 20 0 BFADLO C[C@@H](OCCn1cc[nH+]c1)c1cccs1 ZINC001222129153 972378081 /nfs/dbraw/zinc/37/80/81/972378081.db2.gz MAVRZWPXVRKWJR-SNVBAGLBSA-N 1 2 222.313 2.722 20 0 BFADLO CCn1cc(Nc2cc(C)cc(C)[nH+]2)cn1 ZINC000707907498 958812913 /nfs/dbraw/zinc/81/29/13/958812913.db2.gz OIKQFSQILGLABF-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO C[C@@H](OCCn1cc[nH+]c1)c1cccc(F)c1 ZINC001222134716 972380481 /nfs/dbraw/zinc/38/04/81/972380481.db2.gz LFLKLWRHQRVDQA-LLVKDONJSA-N 1 2 234.274 2.800 20 0 BFADLO c1cn(CCO[C@H]2CCC=CCCC2)c[nH+]1 ZINC001222134173 972380889 /nfs/dbraw/zinc/38/08/89/972380889.db2.gz AVEYCJZXJPGTFH-ZDUSSCGKSA-N 1 2 220.316 2.789 20 0 BFADLO C[C@H](OCCn1cc[nH+]c1)c1ccccc1F ZINC001222135178 972382676 /nfs/dbraw/zinc/38/26/76/972382676.db2.gz XEEJJFHAOXVCBH-NSHDSACASA-N 1 2 234.274 2.800 20 0 BFADLO CC[C@H]1CC[C@H](OCCn2cc[nH+]c2)CC1 ZINC001222139739 972387151 /nfs/dbraw/zinc/38/71/51/972387151.db2.gz VVGXUHFCXMJHHT-JOCQHMNTSA-N 1 2 222.332 2.869 20 0 BFADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2C)nn1C ZINC001327068553 972388631 /nfs/dbraw/zinc/38/86/31/972388631.db2.gz PVKDDRAOVFRJRN-LBPRGKRZSA-N 1 2 244.342 2.913 20 0 BFADLO C[C@H]1CCC[C@H](C)C1OCCn1cc[nH+]c1 ZINC001222138474 972390163 /nfs/dbraw/zinc/39/01/63/972390163.db2.gz FKJZXWPRURDUFR-RYUDHWBXSA-N 1 2 222.332 2.724 20 0 BFADLO CCOCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)F ZINC001172409084 974669613 /nfs/dbraw/zinc/66/96/13/974669613.db2.gz OYPTVYIDSSZDHM-SSDOTTSWSA-N 1 2 249.223 2.589 20 0 BFADLO COCc1ccc(Cl)c(-c2c[nH+]cn2C)c1 ZINC001222256585 972427219 /nfs/dbraw/zinc/42/72/19/972427219.db2.gz LZGNJYDBOGACNN-UHFFFAOYSA-N 1 2 236.702 2.887 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(OC(F)(F)F)c1 ZINC001222323667 972438382 /nfs/dbraw/zinc/43/83/82/972438382.db2.gz TXQNKSXMPXJPMI-UHFFFAOYSA-N 1 2 242.200 2.986 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001218062448 959852061 /nfs/dbraw/zinc/85/20/61/959852061.db2.gz UIQVZCSAJWYHNN-WDEREUQCSA-N 1 2 237.368 2.803 20 0 BFADLO CC1(C)C[NH2+]CC[C@@H]1Oc1ccccc1S ZINC001218315785 959971792 /nfs/dbraw/zinc/97/17/92/959971792.db2.gz YFKIESOYHRODOI-LBPRGKRZSA-N 1 2 237.368 2.742 20 0 BFADLO CC(C)C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892688544 960044507 /nfs/dbraw/zinc/04/45/07/960044507.db2.gz YECOGMUUEDKIMZ-UHFFFAOYSA-N 1 2 244.342 2.602 20 0 BFADLO Cc1ccncc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001141031433 960220971 /nfs/dbraw/zinc/22/09/71/960220971.db2.gz OYYWDYUAHQLPSM-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccncc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001141031433 960220978 /nfs/dbraw/zinc/22/09/78/960220978.db2.gz OYYWDYUAHQLPSM-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(F)cc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001140594847 960447176 /nfs/dbraw/zinc/44/71/76/960447176.db2.gz RLMPPDJOBYXZLK-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)cc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001140594847 960447187 /nfs/dbraw/zinc/44/71/87/960447187.db2.gz RLMPPDJOBYXZLK-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO c1sc2ccccc2c1C[N@@H+]1CCC12COC2 ZINC001140638393 960470105 /nfs/dbraw/zinc/47/01/05/960470105.db2.gz NHMFYEVVBLLAPX-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO c1sc2ccccc2c1C[N@H+]1CCC12COC2 ZINC001140638393 960470114 /nfs/dbraw/zinc/47/01/14/960470114.db2.gz NHMFYEVVBLLAPX-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(Cl)ccc1N ZINC001140716715 960531670 /nfs/dbraw/zinc/53/16/70/960531670.db2.gz YIHVKYVXCMRRQQ-LDYMZIIASA-N 1 2 242.725 2.855 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3cccc(C)c3C2)[nH]n1 ZINC001203070242 960627486 /nfs/dbraw/zinc/62/74/86/960627486.db2.gz MBLXNRNYYFCIKY-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1cc(C[N@H+]2Cc3cccc(C)c3C2)[nH]n1 ZINC001203070242 960627496 /nfs/dbraw/zinc/62/74/96/960627496.db2.gz MBLXNRNYYFCIKY-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO CC1CC[NH+](Cc2ccc(O)c(F)c2F)CC1 ZINC001140889848 960667270 /nfs/dbraw/zinc/66/72/70/960667270.db2.gz MTKYZXRYNTXCBU-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[C@H](OCc2c[nH+]cn2C)[C@@H]1C ZINC001222600596 960722744 /nfs/dbraw/zinc/72/27/44/960722744.db2.gz RIUKGKWSQSPOOB-WZRBSPASSA-N 1 2 222.332 2.761 20 0 BFADLO CC[N@H+](Cc1cc(C)n[nH]1)Cc1ccccc1F ZINC001203081561 960749273 /nfs/dbraw/zinc/74/92/73/960749273.db2.gz BTCSEKACZGVRMC-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1cc(C)n[nH]1)Cc1ccccc1F ZINC001203081561 960749283 /nfs/dbraw/zinc/74/92/83/960749283.db2.gz BTCSEKACZGVRMC-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2ccccc2F)n[nH]1 ZINC001203081409 960758012 /nfs/dbraw/zinc/75/80/12/960758012.db2.gz SKEMVXZVINMRLU-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2ccccc2F)n[nH]1 ZINC001203081409 960758024 /nfs/dbraw/zinc/75/80/24/960758024.db2.gz SKEMVXZVINMRLU-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)n[nH]1 ZINC001203083753 960770315 /nfs/dbraw/zinc/77/03/15/960770315.db2.gz NTVPVUAFDZZUDB-OAHLLOKOSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)n[nH]1 ZINC001203083753 960770321 /nfs/dbraw/zinc/77/03/21/960770321.db2.gz NTVPVUAFDZZUDB-OAHLLOKOSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1ncco1)CC2 ZINC001141004410 960800667 /nfs/dbraw/zinc/80/06/67/960800667.db2.gz FJHFAHCJAMWNSW-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1ncco1)CC2 ZINC001141004410 960800672 /nfs/dbraw/zinc/80/06/72/960800672.db2.gz FJHFAHCJAMWNSW-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ncco1 ZINC001141010739 960812162 /nfs/dbraw/zinc/81/21/62/960812162.db2.gz GOZRYVMWFKVSAZ-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ncco1 ZINC001141010739 960812176 /nfs/dbraw/zinc/81/21/76/960812176.db2.gz GOZRYVMWFKVSAZ-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO COc1ccc([C@H](C)[N@H+](C)Cc2ncco2)cc1 ZINC001141011039 960813557 /nfs/dbraw/zinc/81/35/57/960813557.db2.gz MVXVZTLXVHUOBK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@H](C)[N@@H+](C)Cc2ncco2)cc1 ZINC001141011039 960813558 /nfs/dbraw/zinc/81/35/58/960813558.db2.gz MVXVZTLXVHUOBK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO [NH2+]=CNc1ccc(-c2ccc(Cl)nn2)s1 ZINC001167864283 961329283 /nfs/dbraw/zinc/32/92/83/961329283.db2.gz FEBNXSDFDVRRKG-UHFFFAOYSA-N 1 2 238.703 2.877 20 0 BFADLO CC(C)c1cc(NC=[NH2+])nc(C(C)C)n1 ZINC001167865880 961346431 /nfs/dbraw/zinc/34/64/31/961346431.db2.gz WNTPEYVJNOZSTF-UHFFFAOYSA-N 1 2 206.293 2.742 20 0 BFADLO CC/C=C(\C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001142674014 961593716 /nfs/dbraw/zinc/59/37/16/961593716.db2.gz ZLURFZWHOUDNQW-VZUCSPMQSA-N 1 2 247.342 2.581 20 0 BFADLO CC[N@H+](Cc1csc(Cl)c1)C1COC1 ZINC001142770399 961725146 /nfs/dbraw/zinc/72/51/46/961725146.db2.gz AGECOQDMGVURGV-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CC[N@@H+](Cc1csc(Cl)c1)C1COC1 ZINC001142770399 961725164 /nfs/dbraw/zinc/72/51/64/961725164.db2.gz AGECOQDMGVURGV-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO COc1ccc(Nc2[nH+]cccc2C)c(CO)c1 ZINC001211733159 961816638 /nfs/dbraw/zinc/81/66/38/961816638.db2.gz HVQDDUBZVHYFJR-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C[NH+]1CC(Oc2cc(Cl)cc(Cl)c2)C1 ZINC001225233294 961895402 /nfs/dbraw/zinc/89/54/02/961895402.db2.gz FVOGBLAUNDHFFI-UHFFFAOYSA-N 1 2 232.110 2.686 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001143250725 961975342 /nfs/dbraw/zinc/97/53/42/961975342.db2.gz DDBSWYVSVDNJQR-UHFFFAOYSA-N 1 2 239.265 2.599 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001143250725 961975353 /nfs/dbraw/zinc/97/53/53/961975353.db2.gz DDBSWYVSVDNJQR-UHFFFAOYSA-N 1 2 239.265 2.599 20 0 BFADLO Cc1cc(C)cc(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000045875444 962075911 /nfs/dbraw/zinc/07/59/11/962075911.db2.gz CAKADBFBZSAAQA-LBPRGKRZSA-N 1 2 243.310 2.700 20 0 BFADLO Cc1cc(NC2CC(F)C2)nc(C2CC2)[nH+]1 ZINC001154844287 962869173 /nfs/dbraw/zinc/86/91/73/962869173.db2.gz ZHKLPWSGUDFMHZ-UHFFFAOYSA-N 1 2 221.279 2.575 20 0 BFADLO CSc1cc[nH+]c(N[C@@H](CO)CC(C)C)c1 ZINC001154962416 962922058 /nfs/dbraw/zinc/92/20/58/962922058.db2.gz NSLCZXZXIMRWFJ-SNVBAGLBSA-N 1 2 240.372 2.622 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cncc(N2CCCC2)n1 ZINC001155179984 963008766 /nfs/dbraw/zinc/00/87/66/963008766.db2.gz GEJQPWCHAODTJG-UHFFFAOYSA-N 1 2 247.346 2.512 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ncnc2cnc(F)cc21 ZINC001155181473 963008942 /nfs/dbraw/zinc/00/89/42/963008942.db2.gz QXUXMFDHPINLLH-UHFFFAOYSA-N 1 2 247.277 2.599 20 0 BFADLO Cc1nc(N2C[C@@H](C)OC[C@H]2C)cc(C(C)C)[nH+]1 ZINC001155414296 963073988 /nfs/dbraw/zinc/07/39/88/963073988.db2.gz LBEZYWXYBAOCSC-GHMZBOCLSA-N 1 2 249.358 2.522 20 0 BFADLO CCOC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165708483 963254390 /nfs/dbraw/zinc/25/43/90/963254390.db2.gz SUGCDWXAZFUIOZ-GFCCVEGCSA-N 1 2 245.326 2.709 20 0 BFADLO CC1(Nc2ccc(Cl)c(N)[nH+]2)CCC1 ZINC001156076242 963255025 /nfs/dbraw/zinc/25/50/25/963255025.db2.gz YQMVURHATQKKLF-UHFFFAOYSA-N 1 2 211.696 2.672 20 0 BFADLO CCc1cc(N2C[C@H](C)CC23CC3)nc(C)[nH+]1 ZINC001156420495 963334386 /nfs/dbraw/zinc/33/43/86/963334386.db2.gz SJSZWIVEBPWYGJ-SNVBAGLBSA-N 1 2 231.343 2.726 20 0 BFADLO CCSc1cc[nH+]c(NCc2cncnc2)c1 ZINC001156576571 963389726 /nfs/dbraw/zinc/38/97/26/963389726.db2.gz XOAJZSGMZVRGDT-UHFFFAOYSA-N 1 2 246.339 2.596 20 0 BFADLO Cc1cc(Cl)c(C)c(NCc2cccnn2)[nH+]1 ZINC001156605455 963406134 /nfs/dbraw/zinc/40/61/34/963406134.db2.gz RXUBDWYULFQQSP-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCc1cc(C[N@@H+]2CCc3sccc3C2)on1 ZINC001203219021 963449862 /nfs/dbraw/zinc/44/98/62/963449862.db2.gz QBYOWIOTOWJWAW-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1cc(C[N@H+]2CCc3sccc3C2)on1 ZINC001203219021 963449875 /nfs/dbraw/zinc/44/98/75/963449875.db2.gz QBYOWIOTOWJWAW-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO Cc1ccc(Cl)nc1NCc1cc[nH+]c(N)c1 ZINC001156755510 963453472 /nfs/dbraw/zinc/45/34/72/963453472.db2.gz DOFANMGSYBCLMX-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CSCc1cc[nH+]c(N2CC3CC(C3)C2)c1 ZINC001156902848 963488615 /nfs/dbraw/zinc/48/86/15/963488615.db2.gz OYPXNGXBBLHZJJ-UHFFFAOYSA-N 1 2 234.368 2.791 20 0 BFADLO C[N@H+](Cc1ccnc(Cl)c1)Cc1ccccn1 ZINC000052709291 963518567 /nfs/dbraw/zinc/51/85/67/963518567.db2.gz TZKWUCVLCSXEGG-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccnc(Cl)c1)Cc1ccccn1 ZINC000052709291 963518578 /nfs/dbraw/zinc/51/85/78/963518578.db2.gz TZKWUCVLCSXEGG-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO CC[C@H](C)c1nc(Cl)c(C)c(NC=[NH2+])n1 ZINC001157079907 963526297 /nfs/dbraw/zinc/52/62/97/963526297.db2.gz HPQFQOQQYLJOAX-LURJTMIESA-N 1 2 226.711 2.971 20 0 BFADLO CC[C@H](C)Nc1[nH+]cc(C)cc1C(OC)OC ZINC001157237870 963562540 /nfs/dbraw/zinc/56/25/40/963562540.db2.gz OCGSWOZCPNLRFE-JTQLQIEISA-N 1 2 238.331 2.892 20 0 BFADLO CCCNc1[nH+]cnc2[nH]c3ccccc3c21 ZINC001157357437 963581662 /nfs/dbraw/zinc/58/16/62/963581662.db2.gz KFQQNPGIMAAAGO-UHFFFAOYSA-N 1 2 226.283 2.933 20 0 BFADLO Cc1ccnc(NC2C[NH+](C(C)C)C2)c1Cl ZINC001157526689 963644763 /nfs/dbraw/zinc/64/47/63/963644763.db2.gz WAIWKHJVJGMQDG-UHFFFAOYSA-N 1 2 239.750 2.548 20 0 BFADLO CSc1cc[nH+]c(NCc2cnc(C)nc2)c1 ZINC001157604768 963673531 /nfs/dbraw/zinc/67/35/31/963673531.db2.gz ZGHKIMZUWNDBEN-UHFFFAOYSA-N 1 2 246.339 2.514 20 0 BFADLO O=C1CC(CNc2cc3ccccc3c[nH+]2)C1 ZINC001157607661 963677544 /nfs/dbraw/zinc/67/75/44/963677544.db2.gz MFOXRBRUGOWXJU-UHFFFAOYSA-N 1 2 226.279 2.626 20 0 BFADLO Cc1c(F)cc[nH+]c1NC[C@@H]1CC(C)(C)O1 ZINC001157659941 963692835 /nfs/dbraw/zinc/69/28/35/963692835.db2.gz HFAGZVJYVWGZJP-VIFPVBQESA-N 1 2 224.279 2.509 20 0 BFADLO CC[C@H](C)C[C@@H](C)Nc1[nH+]ccc(C)c1C(N)=O ZINC001157881768 963754310 /nfs/dbraw/zinc/75/43/10/963754310.db2.gz ONZRDEAVHFDYEF-GXSJLCMTSA-N 1 2 249.358 2.726 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc(N)nc[nH+]2)c2ccccc21 ZINC001158475093 963880164 /nfs/dbraw/zinc/88/01/64/963880164.db2.gz XASBRYPYZMUNSG-BXKDBHETSA-N 1 2 240.310 2.719 20 0 BFADLO Cc1cc(Cl)c(C)c(N(C)[C@H]2CCOC2)[nH+]1 ZINC001158574824 963890476 /nfs/dbraw/zinc/89/04/76/963890476.db2.gz MUKVUFHTYDVHEN-JTQLQIEISA-N 1 2 240.734 2.577 20 0 BFADLO CSc1cc[nH+]c(N[C@H](C)c2cnccn2)c1 ZINC001158600675 963893575 /nfs/dbraw/zinc/89/35/75/963893575.db2.gz LGIUWLAZWPFJJC-SECBINFHSA-N 1 2 246.339 2.767 20 0 BFADLO Cc1cc(N[C@H]2CCCOC2)nc(C(C)(C)C)[nH+]1 ZINC001158714382 963907674 /nfs/dbraw/zinc/90/76/74/963907674.db2.gz VXFWLPKXCVXWQI-NSHDSACASA-N 1 2 249.358 2.673 20 0 BFADLO CO[C@@H](C)CNc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC001158812732 963930614 /nfs/dbraw/zinc/93/06/14/963930614.db2.gz JJBRLLZWPILIQR-JTQLQIEISA-N 1 2 237.347 2.529 20 0 BFADLO CSc1cc[nH+]c(N2C3CCC2CC3)c1 ZINC001159083160 963992478 /nfs/dbraw/zinc/99/24/78/963992478.db2.gz CRCBDHNAOKLDHQ-UHFFFAOYSA-N 1 2 220.341 2.935 20 0 BFADLO Cc1ccc2cc(N[C@H]3C[C@@H](CO)C3)[nH+]cc2c1 ZINC001168240082 964038716 /nfs/dbraw/zinc/03/87/16/964038716.db2.gz VARGXYKCYQGFOQ-VDISTLRHSA-N 1 2 242.322 2.726 20 0 BFADLO CCc1cc(OC)ccc1Nc1ccc(N)[nH+]c1 ZINC001159282097 964047037 /nfs/dbraw/zinc/04/70/37/964047037.db2.gz MUFUWHJSWJZXMK-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO CCOc1cccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001159281317 964050355 /nfs/dbraw/zinc/05/03/55/964050355.db2.gz XHSCFDYBFBOKPZ-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Cc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1F ZINC001159281432 964051704 /nfs/dbraw/zinc/05/17/04/964051704.db2.gz YYAJZYBXMWJGQZ-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CCOc1cc(F)ccc1Nc1ccc(N)[nH+]c1 ZINC001159281455 964054233 /nfs/dbraw/zinc/05/42/33/964054233.db2.gz ZVOXPNLECIZYTE-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Nc1[nH+]c(NCOc2ccccc2)ccc1Cl ZINC001159706280 964156681 /nfs/dbraw/zinc/15/66/81/964156681.db2.gz RPTBKGFOVNBXIF-UHFFFAOYSA-N 1 2 249.701 2.766 20 0 BFADLO COC(=O)C[C@@H](C)Nc1cc2ccccc2c[nH+]1 ZINC001160525686 964324275 /nfs/dbraw/zinc/32/42/75/964324275.db2.gz LIONEKYOHGVFBT-SNVBAGLBSA-N 1 2 244.294 2.598 20 0 BFADLO Cc1cc(Cl)c(C)c(NCC[C@@H](C)CO)[nH+]1 ZINC001160604039 964351553 /nfs/dbraw/zinc/35/15/53/964351553.db2.gz YEVMCZHWYJGZNE-MRVPVSSYSA-N 1 2 242.750 2.782 20 0 BFADLO CC(C)(C)COC1C[NH+](Cc2ccccc2)C1 ZINC001204878338 964401363 /nfs/dbraw/zinc/40/13/63/964401363.db2.gz SPVAGZOGOBAUNT-UHFFFAOYSA-N 1 2 233.355 2.934 20 0 BFADLO COc1ncccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213026409 964413768 /nfs/dbraw/zinc/41/37/68/964413768.db2.gz YJCSPNJYHLFQHE-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO CCn1ncc(Nc2cccc3[nH+]c[nH]c32)c1C ZINC001213027012 964418026 /nfs/dbraw/zinc/41/80/26/964418026.db2.gz DBWCLELACDHZTQ-UHFFFAOYSA-N 1 2 241.298 2.831 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000924642578 964524869 /nfs/dbraw/zinc/52/48/69/964524869.db2.gz DGBUVHRVJXWICQ-GZMMTYOYSA-N 1 2 247.298 2.699 20 0 BFADLO Fc1cc(Nc2cccc3[nH+]c[nH]c32)c(F)cn1 ZINC001213030561 964549567 /nfs/dbraw/zinc/54/95/67/964549567.db2.gz FKWIXEFZXNFWDB-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO OCc1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213031488 964563526 /nfs/dbraw/zinc/56/35/26/964563526.db2.gz CBUAFOZVWHEFSC-UHFFFAOYSA-N 1 2 239.278 2.799 20 0 BFADLO FC(F)(F)CNc1cc2cc[nH]c2c[nH+]1 ZINC001161626144 964650267 /nfs/dbraw/zinc/65/02/67/964650267.db2.gz RUENPQOEXFIPIA-UHFFFAOYSA-N 1 2 215.178 2.537 20 0 BFADLO COCCOc1cc(NCC(C)(C)C)cc[nH+]1 ZINC001161642425 964659879 /nfs/dbraw/zinc/65/98/79/964659879.db2.gz YRJPSFHWAONDJT-UHFFFAOYSA-N 1 2 238.331 2.565 20 0 BFADLO CN(c1cccc(N)c1)c1cccc2[nH+]c[nH]c21 ZINC001213034429 964674863 /nfs/dbraw/zinc/67/48/63/964674863.db2.gz JJNNFCGFSJHVTN-UHFFFAOYSA-N 1 2 238.294 2.913 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(NC2CSC2)c1 ZINC001168364875 964692409 /nfs/dbraw/zinc/69/24/09/964692409.db2.gz VQTNDTSCIMPPQT-UHFFFAOYSA-N 1 2 245.351 2.614 20 0 BFADLO COc1cc(C)c[nH+]c1N[C@@H]1CC=CCC1 ZINC001161754982 964738718 /nfs/dbraw/zinc/73/87/18/964738718.db2.gz ZSDGHCBDTWVJMN-LLVKDONJSA-N 1 2 218.300 2.919 20 0 BFADLO Cc1nc(N[C@H]2CC=CCC2)c2c([nH+]1)CCC2 ZINC001161754451 964739779 /nfs/dbraw/zinc/73/97/79/964739779.db2.gz MIACBCPEOKXAIE-NSHDSACASA-N 1 2 229.327 2.794 20 0 BFADLO Cc1ccc(CNc2ccn3cc[nH+]c3c2)o1 ZINC001161765107 964741817 /nfs/dbraw/zinc/74/18/17/964741817.db2.gz BBTAVXRYOCNRSE-UHFFFAOYSA-N 1 2 227.267 2.848 20 0 BFADLO Cc1ccc(C)c(CCNc2cc[nH+]cc2F)c1 ZINC001161831282 964776566 /nfs/dbraw/zinc/77/65/66/964776566.db2.gz BAOGTWRQJMHFEH-UHFFFAOYSA-N 1 2 244.313 2.914 20 0 BFADLO CN(C)c1cc(NC[C@@H]2CCC(C)(C)C2)[nH+]cn1 ZINC001162120755 964848862 /nfs/dbraw/zinc/84/88/62/964848862.db2.gz IZJJTPBVJZCKRT-LLVKDONJSA-N 1 2 248.374 2.781 20 0 BFADLO CN(C)c1cc(NC[C@@H]2CCC(C)(C)C2)nc[nH+]1 ZINC001162120755 964848868 /nfs/dbraw/zinc/84/88/68/964848868.db2.gz IZJJTPBVJZCKRT-LLVKDONJSA-N 1 2 248.374 2.781 20 0 BFADLO Cc1cc2cc(NC3CC(F)C3)[nH+]cc2[nH]1 ZINC001162209804 964871074 /nfs/dbraw/zinc/87/10/74/964871074.db2.gz OKHKVLROZDHGSX-UHFFFAOYSA-N 1 2 219.263 2.784 20 0 BFADLO CNc1ccc(N[C@@H]2CCCC[C@H]2F)c[nH+]1 ZINC001162512745 965009604 /nfs/dbraw/zinc/00/96/04/965009604.db2.gz PKBDKUADMUSSSZ-GHMZBOCLSA-N 1 2 223.295 2.816 20 0 BFADLO Nc1[nH+]ccc(F)c1NC[C@H]1CCC(F)(F)C1 ZINC001162648536 965086633 /nfs/dbraw/zinc/08/66/33/965086633.db2.gz QIZANCGJFLGJGE-ZETCQYMHSA-N 1 2 245.248 2.650 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccno2)nc(C2CC2)[nH+]1 ZINC001163215413 965309609 /nfs/dbraw/zinc/30/96/09/965309609.db2.gz NBMPRFWIZYGYIQ-VIFPVBQESA-N 1 2 244.298 2.824 20 0 BFADLO CSc1cc[nH+]c(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC001163480240 965413269 /nfs/dbraw/zinc/41/32/69/965413269.db2.gz KBGMWGRJPPIFEJ-ONGXEEELSA-N 1 2 238.356 2.783 20 0 BFADLO CCc1nocc1CN(C)c1cc(F)cc(C)[nH+]1 ZINC001120937366 965454808 /nfs/dbraw/zinc/45/48/08/965454808.db2.gz GIQZDLVVWRBJLO-UHFFFAOYSA-N 1 2 249.289 2.716 20 0 BFADLO C[N@H+](Cc1cccc(O)c1F)C1CC(F)(F)C1 ZINC001233049389 965463602 /nfs/dbraw/zinc/46/36/02/965463602.db2.gz DHLOTZVJVCQUBC-UHFFFAOYSA-N 1 2 245.244 2.761 20 0 BFADLO C[N@@H+](Cc1cccc(O)c1F)C1CC(F)(F)C1 ZINC001233049389 965463607 /nfs/dbraw/zinc/46/36/07/965463607.db2.gz DHLOTZVJVCQUBC-UHFFFAOYSA-N 1 2 245.244 2.761 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1cccc(O)c1F ZINC001233049390 965463796 /nfs/dbraw/zinc/46/37/96/965463796.db2.gz DHVLQUVAUMCXDC-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1cccc(O)c1F ZINC001233049390 965463800 /nfs/dbraw/zinc/46/38/00/965463800.db2.gz DHVLQUVAUMCXDC-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO CNc1ccc(Nc2cnn(C(C)C)c2)c[nH+]1 ZINC001203449797 965498850 /nfs/dbraw/zinc/49/88/50/965498850.db2.gz LRTDDLAYXZISMH-UHFFFAOYSA-N 1 2 231.303 2.644 20 0 BFADLO CCc1cc(N2C[C@H]3CCCC[C@H]32)nc(CC)[nH+]1 ZINC001163668418 965499371 /nfs/dbraw/zinc/49/93/71/965499371.db2.gz KUZHMSSLIOUJJF-DGCLKSJQSA-N 1 2 245.370 2.980 20 0 BFADLO Cc1cc(N2CC(C)(C)C2)nc(C(C)(C)C)[nH+]1 ZINC001163727577 965543775 /nfs/dbraw/zinc/54/37/75/965543775.db2.gz YWEHOAVBALPOBO-UHFFFAOYSA-N 1 2 233.359 2.929 20 0 BFADLO CCOc1ncccc1Nc1ccc(NC)[nH+]c1 ZINC001203450189 965548409 /nfs/dbraw/zinc/54/84/09/965548409.db2.gz XIBOBUAERHGJPC-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO Cc1cc(NCc2ccccc2N)c[nH+]c1C ZINC001163886339 965622145 /nfs/dbraw/zinc/62/21/45/965622145.db2.gz WGNAGDIPHSYGRB-UHFFFAOYSA-N 1 2 227.311 2.893 20 0 BFADLO C[C@H]1CN(c2ccc(C(C)(C)C)c[nH+]2)CCCO1 ZINC001163967429 965666821 /nfs/dbraw/zinc/66/68/21/965666821.db2.gz YAJGQMUDSVJNQD-LBPRGKRZSA-N 1 2 248.370 2.994 20 0 BFADLO Cc1cc2cc(NC[C@H]3CC(C)(C)O3)[nH+]cc2[nH]1 ZINC001168450460 965740410 /nfs/dbraw/zinc/74/04/10/965740410.db2.gz BASLBHLBDIMBLC-LLVKDONJSA-N 1 2 245.326 2.851 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC1(F)F ZINC001168453709 965753937 /nfs/dbraw/zinc/75/39/37/965753937.db2.gz GTTHZHWQUZGXHL-GZMMTYOYSA-N 1 2 229.245 2.754 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC[C@](C)(F)[C@H](F)C1 ZINC001164334498 965850180 /nfs/dbraw/zinc/85/01/80/965850180.db2.gz SWARMLUUXDLWOX-PWSUYJOCSA-N 1 2 244.260 2.806 20 0 BFADLO Cc1cc(NCCn2cccc2)c[nH+]c1C ZINC001164452546 965887478 /nfs/dbraw/zinc/88/74/78/965887478.db2.gz RTJBNUDTFOQPPO-UHFFFAOYSA-N 1 2 215.300 2.612 20 0 BFADLO Cc1cc(Cl)c(C)c(N2CC(C)(F)C2)[nH+]1 ZINC001164585697 965924388 /nfs/dbraw/zinc/92/43/88/965924388.db2.gz BVIFMTPAPMSUMG-UHFFFAOYSA-N 1 2 228.698 2.900 20 0 BFADLO Cc1cc(NC[C@H]2CCCCO2)[nH+]c2cc[nH]c21 ZINC001165252645 966005587 /nfs/dbraw/zinc/00/55/87/966005587.db2.gz JIHIAFXEZQLSKB-LLVKDONJSA-N 1 2 245.326 2.852 20 0 BFADLO CNc1ccc(Nc2ccnn2C2CCC2)c[nH+]1 ZINC001203452596 966046600 /nfs/dbraw/zinc/04/66/00/966046600.db2.gz PQVNWTIANRDJSK-UHFFFAOYSA-N 1 2 243.314 2.788 20 0 BFADLO CCCc1cc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)nc(C)[nH+]1 ZINC001165367196 966065997 /nfs/dbraw/zinc/06/59/97/966065997.db2.gz QVNCWSOUYQZPKE-WCFLWFBJSA-N 1 2 249.333 2.532 20 0 BFADLO Cc1cc[nH+]cc1NCCCc1ccncc1 ZINC001165525078 966113792 /nfs/dbraw/zinc/11/37/92/966113792.db2.gz PFIJHCVJPCQJOH-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO COCC(C)(C)Nc1ccc([NH+](C)C)c(C)c1 ZINC001166049484 966238285 /nfs/dbraw/zinc/23/82/85/966238285.db2.gz CNZYIPJIEDMQLH-UHFFFAOYSA-N 1 2 236.359 2.898 20 0 BFADLO COc1cc(C)c[nH+]c1N(C)C(C)(C)C ZINC001166527322 966283520 /nfs/dbraw/zinc/28/35/20/966283520.db2.gz GAGREYPEJMXLJG-UHFFFAOYSA-N 1 2 208.305 2.633 20 0 BFADLO COc1ccc(-c2ccc(N)[nH+]c2)c(C)c1OC ZINC001236313798 966363478 /nfs/dbraw/zinc/36/34/78/966363478.db2.gz YRKQRJABNVXULO-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO CO/C=C/c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236318185 966367230 /nfs/dbraw/zinc/36/72/30/966367230.db2.gz ZLTIYOSICQDKLI-CMDGGOBGSA-N 1 2 226.279 2.948 20 0 BFADLO c1cn2cc(C3=CCSCC3)ccc2[nH+]1 ZINC001236366005 966379719 /nfs/dbraw/zinc/37/97/19/966379719.db2.gz APLLXHUBQNJWNZ-UHFFFAOYSA-N 1 2 216.309 2.855 20 0 BFADLO OCC[C@@H]1CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166851555 966433269 /nfs/dbraw/zinc/43/32/69/966433269.db2.gz AZPUBYSTQVOGCE-LBPRGKRZSA-N 1 2 246.354 2.558 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)o1 ZINC001236589887 966472115 /nfs/dbraw/zinc/47/21/15/966472115.db2.gz SJMTUODJLHVMBJ-NWDGAFQWSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)o1 ZINC001236589887 966472122 /nfs/dbraw/zinc/47/21/22/966472122.db2.gz SJMTUODJLHVMBJ-NWDGAFQWSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1cc(N(C)C2(C)COC2)[nH+]c2ccccc12 ZINC001166985444 966507861 /nfs/dbraw/zinc/50/78/61/966507861.db2.gz ZLSJSNCPKQIMJF-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCCCC12COC2 ZINC001203353374 966606966 /nfs/dbraw/zinc/60/69/66/966606966.db2.gz XVNQXJJYHJNZCX-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1ccccc1C[N@H+]1CCCCC12COC2 ZINC001203353374 966606971 /nfs/dbraw/zinc/60/69/71/966606971.db2.gz XVNQXJJYHJNZCX-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Cc1cc(Nc2ccc(C)[nH+]c2C)nc(C)n1 ZINC001203362718 966612381 /nfs/dbraw/zinc/61/23/81/966612381.db2.gz FVEFRFJVDSMZAU-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1ccc(Nc2ncccc2F)c(C)[nH+]1 ZINC001203367917 966619066 /nfs/dbraw/zinc/61/90/66/966619066.db2.gz QFKIMYJQTSGZLR-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO COc1ncc(F)cc1Nc1ccc(C)[nH+]c1C ZINC001203370535 966620381 /nfs/dbraw/zinc/62/03/81/966620381.db2.gz NNOYJRKPPSRSNX-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CNc1ccc(Nc2ncccc2C)c[nH+]1 ZINC001203448351 966649600 /nfs/dbraw/zinc/64/96/00/966649600.db2.gz YHGQQRBYRUYUGZ-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2[nH+]cccc2C)cn1 ZINC001203448351 966649613 /nfs/dbraw/zinc/64/96/13/966649613.db2.gz YHGQQRBYRUYUGZ-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2c(C)ccnc2OC)c[nH+]1 ZINC001203448856 966649881 /nfs/dbraw/zinc/64/98/81/966649881.db2.gz NTEWISYMVMPRLI-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2cc(C)cc(CO)c2)c[nH+]1 ZINC001203462675 966659867 /nfs/dbraw/zinc/65/98/67/966659867.db2.gz YXACBSPFCSDRLW-UHFFFAOYSA-N 1 2 243.310 2.668 20 0 BFADLO COc1ccoc1C[N@H+](C)Cc1cccnc1C ZINC001237868724 966699694 /nfs/dbraw/zinc/69/96/94/966699694.db2.gz CVDQQEXSNWAQEH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccoc1C[N@@H+](C)Cc1cccnc1C ZINC001237868724 966699702 /nfs/dbraw/zinc/69/97/02/966699702.db2.gz CVDQQEXSNWAQEH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cccnc2F)c1 ZINC001203654589 966720327 /nfs/dbraw/zinc/72/03/27/966720327.db2.gz LOCSSFQMABFMLO-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnnc(Cl)c2)c1 ZINC001203654952 966722951 /nfs/dbraw/zinc/72/29/51/966722951.db2.gz URXXDCXOQLAUHO-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO c1nnc(Nc2ccc([NH+]3CCCCC3)cc2)o1 ZINC001203712602 966744154 /nfs/dbraw/zinc/74/41/54/966744154.db2.gz LMFNLNUNFGONGZ-UHFFFAOYSA-N 1 2 244.298 2.804 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cc1F ZINC001203790839 966779301 /nfs/dbraw/zinc/77/93/01/966779301.db2.gz UJUULZDEJMZZJH-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)cc1F ZINC001203790839 966779311 /nfs/dbraw/zinc/77/93/11/966779311.db2.gz UJUULZDEJMZZJH-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO CC(C)(O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001239155768 966833260 /nfs/dbraw/zinc/83/32/60/966833260.db2.gz MTHYRUHLXVWZBL-BQYQJAHWSA-N 1 2 242.322 2.716 20 0 BFADLO CC[N@H+](Cc1ncc[nH]1)Cc1ccc(C)cc1 ZINC001203982976 966837377 /nfs/dbraw/zinc/83/73/77/966837377.db2.gz XDCJQPYKRHHMSZ-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO CC[N@@H+](Cc1ncc[nH]1)Cc1ccc(C)cc1 ZINC001203982976 966837380 /nfs/dbraw/zinc/83/73/80/966837380.db2.gz XDCJQPYKRHHMSZ-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO c1ccc2cc(C[NH+]3CC4(CCO4)C3)ccc2c1 ZINC001204000372 966843775 /nfs/dbraw/zinc/84/37/75/966843775.db2.gz GZNIMDRWLKVZCC-UHFFFAOYSA-N 1 2 239.318 2.815 20 0 BFADLO CC(C)(C)N1CC[NH+](Cc2cccs2)CC1 ZINC001204015128 966855984 /nfs/dbraw/zinc/85/59/84/966855984.db2.gz ITSPAWMQNYFRDC-UHFFFAOYSA-N 1 2 238.400 2.664 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CC2(CCC2)C1 ZINC001204203431 966923360 /nfs/dbraw/zinc/92/33/60/966923360.db2.gz XFJZOPNURRDOMN-UHFFFAOYSA-N 1 2 223.266 2.951 20 0 BFADLO Cc1csc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001204374398 966984013 /nfs/dbraw/zinc/98/40/13/966984013.db2.gz JOFFLDNUTVUJJE-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO Cc1csc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001204374398 966984020 /nfs/dbraw/zinc/98/40/20/966984020.db2.gz JOFFLDNUTVUJJE-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3ncccc3C2)o1 ZINC001204392296 966984205 /nfs/dbraw/zinc/98/42/05/966984205.db2.gz DVYMKFODSDYCIT-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3ncccc3C2)o1 ZINC001204392296 966984212 /nfs/dbraw/zinc/98/42/12/966984212.db2.gz DVYMKFODSDYCIT-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO Cc1csc(C[N@@H+](C)C2CC(F)(F)C2)n1 ZINC001204374837 966985798 /nfs/dbraw/zinc/98/57/98/966985798.db2.gz KABCROLWZCUFJM-UHFFFAOYSA-N 1 2 232.299 2.681 20 0 BFADLO Cc1csc(C[N@H+](C)C2CC(F)(F)C2)n1 ZINC001204374837 966985803 /nfs/dbraw/zinc/98/58/03/966985803.db2.gz KABCROLWZCUFJM-UHFFFAOYSA-N 1 2 232.299 2.681 20 0 BFADLO Cc1cn2cc(-c3cccnc3)ccc2[nH+]1 ZINC001239568878 967006115 /nfs/dbraw/zinc/00/61/15/967006115.db2.gz AIAIVQRWVJFWAU-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(N)c(OC)c1 ZINC001249716032 967035416 /nfs/dbraw/zinc/03/54/16/967035416.db2.gz BNJMUYGDDOHQMO-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO CN(c1ccc(N)cc1Cl)c1[nH+]cccc1N ZINC001249729371 967039723 /nfs/dbraw/zinc/03/97/23/967039723.db2.gz NUYBROUESZQTBR-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO Cc1[nH+]c[nH]c1CN1CCC[C@H]1c1nccs1 ZINC001204589463 967079675 /nfs/dbraw/zinc/07/96/75/967079675.db2.gz GRGOHDVMJCNQTH-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO c1cc(-c2cncc(C3CC3)c2)c2c([nH+]1)NCC2 ZINC001204597462 967096248 /nfs/dbraw/zinc/09/62/48/967096248.db2.gz JCSJGMHWUPBBRV-UHFFFAOYSA-N 1 2 237.306 2.989 20 0 BFADLO CNc1cc(CC(=O)c2ccccc2)cc[nH+]1 ZINC001249885352 967127675 /nfs/dbraw/zinc/12/76/75/967127675.db2.gz AKJQSEHTSAHLFN-UHFFFAOYSA-N 1 2 226.279 2.549 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204751509 967146120 /nfs/dbraw/zinc/14/61/20/967146120.db2.gz LFPFHZJVRBYVHP-QWRGUYRKSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC001204751509 967146125 /nfs/dbraw/zinc/14/61/25/967146125.db2.gz LFPFHZJVRBYVHP-QWRGUYRKSA-N 1 2 247.317 2.743 20 0 BFADLO Cc1[nH+]c2ccc(NC#N)cc2n1C(C)C ZINC001168631440 967147149 /nfs/dbraw/zinc/14/71/49/967147149.db2.gz VKOBLQDXBZUNND-UHFFFAOYSA-N 1 2 214.272 2.819 20 0 BFADLO CN(C)c1ccc(CCOc2ccccc2)c[nH+]1 ZINC001249934601 967173666 /nfs/dbraw/zinc/17/36/66/967173666.db2.gz ZGDHKEQLAOZGJQ-UHFFFAOYSA-N 1 2 242.322 2.769 20 0 BFADLO c1cn2ccc(CCOc3ccccc3)cc2[nH+]1 ZINC001249934319 967174926 /nfs/dbraw/zinc/17/49/26/967174926.db2.gz OBBJXHJHNRIGEE-UHFFFAOYSA-N 1 2 238.290 2.956 20 0 BFADLO CCOC(=O)CCCCc1cc[nH+]c(C)c1 ZINC001249980451 967220895 /nfs/dbraw/zinc/22/08/95/967220895.db2.gz FHOBKRDKXLDROT-UHFFFAOYSA-N 1 2 221.300 2.666 20 0 BFADLO CN(C)c1ccc(Cc2cccc(F)c2)c[nH+]1 ZINC001249990508 967238101 /nfs/dbraw/zinc/23/81/01/967238101.db2.gz WZSSKZDVEGLTMZ-UHFFFAOYSA-N 1 2 230.286 2.878 20 0 BFADLO CCn1ncc(Nc2ccn3cc[nH+]c3c2)c1C ZINC001204951416 967249030 /nfs/dbraw/zinc/24/90/30/967249030.db2.gz RKVKBJGIHRDWLT-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO Fc1cnc(Nc2ccn3cc[nH+]c3c2)s1 ZINC001204950623 967249968 /nfs/dbraw/zinc/24/99/68/967249968.db2.gz BIJQWYHNJMGCHH-UHFFFAOYSA-N 1 2 234.259 2.674 20 0 BFADLO Nc1ccc(N[C@@H]2CCCc3cccnc32)c[nH+]1 ZINC001168661825 967251341 /nfs/dbraw/zinc/25/13/41/967251341.db2.gz RYZMRIFJCSLSCY-GFCCVEGCSA-N 1 2 240.310 2.548 20 0 BFADLO c1cn2ccc(Nc3cccc4[nH+]ccn43)cc2n1 ZINC001204950664 967252162 /nfs/dbraw/zinc/25/21/62/967252162.db2.gz DHZBINJSWQUGFG-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1ncc(Nc2ccn3cc[nH+]c3c2)s1 ZINC001204959391 967260123 /nfs/dbraw/zinc/26/01/23/967260123.db2.gz MEHKDVXHCKISEK-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO OCc1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001204977274 967271985 /nfs/dbraw/zinc/27/19/85/967271985.db2.gz DRDXBMTYFRCLTF-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO Cc1ccc(N)cc1Nc1ccn2cc[nH+]c2c1 ZINC001204992022 967277610 /nfs/dbraw/zinc/27/76/10/967277610.db2.gz XSHZNCFKCIAQKX-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO c1cn(Cc2ccc(C[C@@H]3CCCO3)cc2)c[nH+]1 ZINC001250104466 967377791 /nfs/dbraw/zinc/37/77/91/967377791.db2.gz JJAOLTVHHXCBON-HNNXBMFYSA-N 1 2 242.322 2.653 20 0 BFADLO CNc1cc(CC(=O)c2ccc(F)cc2)cc[nH+]1 ZINC001250135741 967417297 /nfs/dbraw/zinc/41/72/97/967417297.db2.gz XUCMEKTWGLMCEB-UHFFFAOYSA-N 1 2 244.269 2.688 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C(C)(C)C2)ccc1F ZINC001205193267 967421082 /nfs/dbraw/zinc/42/10/82/967421082.db2.gz UHTUFUTZYMEHRG-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C(C)(C)C2)ccc1F ZINC001205193267 967421089 /nfs/dbraw/zinc/42/10/89/967421089.db2.gz UHTUFUTZYMEHRG-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(F)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240214294 967425671 /nfs/dbraw/zinc/42/56/71/967425671.db2.gz NTWDZCVUNMMIAD-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(C)c(CC(=O)Oc2ccccc2)c[nH+]1 ZINC001250260728 967569646 /nfs/dbraw/zinc/56/96/46/967569646.db2.gz NQSKABGDXUDALX-UHFFFAOYSA-N 1 2 241.290 2.847 20 0 BFADLO CNc1cc(-c2ccc(F)c3n[nH]cc32)cc[nH+]1 ZINC001205365233 967589358 /nfs/dbraw/zinc/58/93/58/967589358.db2.gz AUHBIYBZKMQIRQ-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc2c(c1)NC(=O)C2 ZINC001250311376 967657797 /nfs/dbraw/zinc/65/77/97/967657797.db2.gz PJKWJNSEQQUIDG-UHFFFAOYSA-N 1 2 239.278 2.628 20 0 BFADLO FC(F)Oc1ccccc1CCn1cc[nH+]c1 ZINC001250316225 967676804 /nfs/dbraw/zinc/67/68/04/967676804.db2.gz DRHXAWIDVOHFKY-UHFFFAOYSA-N 1 2 238.237 2.727 20 0 BFADLO CC(C)Oc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315894 967678138 /nfs/dbraw/zinc/67/81/38/967678138.db2.gz WSCIAIFUMJKUSF-UHFFFAOYSA-N 1 2 230.311 2.913 20 0 BFADLO Cc1c(F)cccc1CCn1cc[nH+]c1 ZINC001250315316 967679426 /nfs/dbraw/zinc/67/94/26/967679426.db2.gz IXDJRVSVZHMFBC-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO c1cn(CCc2cnc3ccccc3c2)c[nH+]1 ZINC001250315275 967679875 /nfs/dbraw/zinc/67/98/75/967679875.db2.gz HQOQFSJZQPYLHM-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO CCOc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250316691 967688934 /nfs/dbraw/zinc/68/89/34/967688934.db2.gz SRYPMCFSIUAHAL-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO Fc1cc(F)c(CCn2cc[nH+]c2)cc1F ZINC001250316623 967689784 /nfs/dbraw/zinc/68/97/84/967689784.db2.gz PNWMADVAXHKDJE-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO Fc1c(Cl)cccc1CCn1cc[nH+]c1 ZINC001250316654 967689846 /nfs/dbraw/zinc/68/98/46/967689846.db2.gz QYRYJXJOGORYCT-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO CN(C)c1ccc(CCn2cc[nH+]c2)cc1Cl ZINC001250319396 967693264 /nfs/dbraw/zinc/69/32/64/967693264.db2.gz CUHSBSNAVOXOTN-UHFFFAOYSA-N 1 2 249.745 2.845 20 0 BFADLO Cc1cc(CCn2cc[nH+]c2)ccc1N(C)C ZINC001250318656 967693458 /nfs/dbraw/zinc/69/34/58/967693458.db2.gz JEGBXLWCEBYJKM-UHFFFAOYSA-N 1 2 229.327 2.500 20 0 BFADLO c1cn(CCc2cccc(OC3CC3)c2)c[nH+]1 ZINC001250320119 967696029 /nfs/dbraw/zinc/69/60/29/967696029.db2.gz YOKAQOKJYMHFMB-UHFFFAOYSA-N 1 2 228.295 2.667 20 0 BFADLO CSc1ncc(C)cc1CCn1cc[nH+]c1 ZINC001250320524 967696227 /nfs/dbraw/zinc/69/62/27/967696227.db2.gz NYCSLROQOUTTGT-UHFFFAOYSA-N 1 2 233.340 2.551 20 0 BFADLO Cc1nc2ccc(CCn3cc[nH+]c3)cc2o1 ZINC001250320142 967696318 /nfs/dbraw/zinc/69/63/18/967696318.db2.gz YWBYZTLHECUYDU-UHFFFAOYSA-N 1 2 227.267 2.575 20 0 BFADLO Clc1ccc(CCn2cc[nH+]c2)c2c[nH]nc21 ZINC001250320027 967697350 /nfs/dbraw/zinc/69/73/50/967697350.db2.gz HJDVABLCSOXAHL-UHFFFAOYSA-N 1 2 246.701 2.656 20 0 BFADLO Oc1c(F)cc(CCn2cc[nH+]c2)cc1Cl ZINC001250321112 967699419 /nfs/dbraw/zinc/69/94/19/967699419.db2.gz WUUOSGOVOODHGG-UHFFFAOYSA-N 1 2 240.665 2.624 20 0 BFADLO CC(C)c1ccc(N)c(CCn2cc[nH+]c2)c1 ZINC001250321187 967700691 /nfs/dbraw/zinc/70/06/91/967700691.db2.gz XHYNBGXYUAHJGN-UHFFFAOYSA-N 1 2 229.327 2.831 20 0 BFADLO c1cn2ccc(NC(C3CC3)C3CC3)cc2[nH+]1 ZINC001168744276 967719105 /nfs/dbraw/zinc/71/91/05/967719105.db2.gz ZRUPKIVTVVJBDP-UHFFFAOYSA-N 1 2 227.311 2.935 20 0 BFADLO c1cc2c([nH+]c1NC(C1CC1)C1CC1)CCOC2 ZINC001168743263 967719866 /nfs/dbraw/zinc/71/98/66/967719866.db2.gz YIZQTSHAAVITFW-UHFFFAOYSA-N 1 2 244.338 2.755 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001205624226 967733731 /nfs/dbraw/zinc/73/37/31/967733731.db2.gz SFJWOBSZZWRJDN-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCCC(=O)CC2)c1 ZINC001205624226 967733740 /nfs/dbraw/zinc/73/37/40/967733740.db2.gz SFJWOBSZZWRJDN-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCCCC23COC3)c1 ZINC001205647270 967741038 /nfs/dbraw/zinc/74/10/38/967741038.db2.gz JEZVFIFEEZEYHM-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCCCC23COC3)c1 ZINC001205647270 967741053 /nfs/dbraw/zinc/74/10/53/967741053.db2.gz JEZVFIFEEZEYHM-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1cc(Cc2c[nH+]c(C)cc2C)on1 ZINC001250363727 967769345 /nfs/dbraw/zinc/76/93/45/967769345.db2.gz VIWDUWADVKGIFX-UHFFFAOYSA-N 1 2 202.257 2.586 20 0 BFADLO CC(C)c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250415644 967822211 /nfs/dbraw/zinc/82/22/11/967822211.db2.gz DLUUWKTYMZOPQD-UHFFFAOYSA-N 1 2 202.257 2.621 20 0 BFADLO CCCOc1ccc2[nH+]c(C)n(C)c2c1 ZINC001250424340 967834692 /nfs/dbraw/zinc/83/46/92/967834692.db2.gz DQRNZCVWZDYDSJ-UHFFFAOYSA-N 1 2 204.273 2.671 20 0 BFADLO CCCc1[nH+]c2ccc(OC)cc2n1C ZINC001250426351 967839338 /nfs/dbraw/zinc/83/93/38/967839338.db2.gz UZPQUCJIUSWBFD-UHFFFAOYSA-N 1 2 204.273 2.534 20 0 BFADLO COc1cc(Nc2cccc(O)c2F)cc(C)[nH+]1 ZINC001212548479 967864783 /nfs/dbraw/zinc/86/47/83/967864783.db2.gz OZFXSSJLBVBJIT-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)c(C)n1 ZINC001250487837 967947380 /nfs/dbraw/zinc/94/73/80/967947380.db2.gz KCUWASAOVFQXOU-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC[C@@](C)(F)C2)co1 ZINC001206041590 968005324 /nfs/dbraw/zinc/00/53/24/968005324.db2.gz SOBOSBCUPRBSBX-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1nc(C[N@H+]2CCCC[C@@](C)(F)C2)co1 ZINC001206041590 968005336 /nfs/dbraw/zinc/00/53/36/968005336.db2.gz SOBOSBCUPRBSBX-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Oc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(F)c1 ZINC001206088064 968056740 /nfs/dbraw/zinc/05/67/40/968056740.db2.gz IVTPHUKBJAYJHZ-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO COc1ccc2[nH]c(C[C@H](C)SC)[nH+]c2c1 ZINC001250566559 968082644 /nfs/dbraw/zinc/08/26/44/968082644.db2.gz IOVPESIBWIFSGV-QMMMGPOBSA-N 1 2 236.340 2.866 20 0 BFADLO CCCN(CC)c1nc(C)[nH+]c2c1CCC2 ZINC001163602812 968085471 /nfs/dbraw/zinc/08/54/71/968085471.db2.gz NPPZCUGOBWZPBS-UHFFFAOYSA-N 1 2 219.332 2.510 20 0 BFADLO CCOc1ccc2[nH+]c(CC3CC3)n(C)c2c1 ZINC001250573116 968093919 /nfs/dbraw/zinc/09/39/19/968093919.db2.gz UGBPTXJNSPTPCP-UHFFFAOYSA-N 1 2 230.311 2.925 20 0 BFADLO CN(C)c1ccc2[nH]c(-c3cc[nH]c3)[nH+]c2c1 ZINC001250897155 968214313 /nfs/dbraw/zinc/21/43/13/968214313.db2.gz XUTLINGUHBXFEV-UHFFFAOYSA-N 1 2 226.283 2.624 20 0 BFADLO Cc1ccc(-c2nc3ccccc3[nH]2)c(N)[nH+]1 ZINC001250981358 968233174 /nfs/dbraw/zinc/23/31/74/968233174.db2.gz BXMSVXHWOPIMDL-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cccc2[nH]c(-c3ccc(N)[nH+]c3C)nc21 ZINC001251089412 968260698 /nfs/dbraw/zinc/26/06/98/968260698.db2.gz RNPPSCQXBRJEPO-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CN(c1cc(N2CCCCC2)[nH+]cn1)C(C)(C)C ZINC001166527908 968321645 /nfs/dbraw/zinc/32/16/45/968321645.db2.gz BWOKEQSNWBSWOV-UHFFFAOYSA-N 1 2 248.374 2.702 20 0 BFADLO CN(c1cc(N2CCCCC2)nc[nH+]1)C(C)(C)C ZINC001166527908 968321651 /nfs/dbraw/zinc/32/16/51/968321651.db2.gz BWOKEQSNWBSWOV-UHFFFAOYSA-N 1 2 248.374 2.702 20 0 BFADLO Cc1cc(F)cc(Nc2[nH+]cccc2N)c1 ZINC000085729377 968434325 /nfs/dbraw/zinc/43/43/25/968434325.db2.gz RDOJTODSXAXVAJ-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Fc1cnccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001206783636 968469452 /nfs/dbraw/zinc/46/94/52/968469452.db2.gz MCGYEXZAHBCLIG-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001206783636 968469458 /nfs/dbraw/zinc/46/94/58/968469458.db2.gz MCGYEXZAHBCLIG-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001206847971 968499189 /nfs/dbraw/zinc/49/91/89/968499189.db2.gz XVHHRGALGCWWNO-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001206847971 968499197 /nfs/dbraw/zinc/49/91/97/968499197.db2.gz XVHHRGALGCWWNO-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Fc1cncc(F)c1C[N@H+]1CCC[C@@H](F)CC1 ZINC001206855010 968504632 /nfs/dbraw/zinc/50/46/32/968504632.db2.gz MCPGKSVUPIJALB-SECBINFHSA-N 1 2 244.260 2.684 20 0 BFADLO Fc1cncc(F)c1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001206855010 968504635 /nfs/dbraw/zinc/50/46/35/968504635.db2.gz MCPGKSVUPIJALB-SECBINFHSA-N 1 2 244.260 2.684 20 0 BFADLO CC1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207048212 968577646 /nfs/dbraw/zinc/57/76/46/968577646.db2.gz FTMMJLCAORARBF-UHFFFAOYSA-N 1 2 229.327 2.566 20 0 BFADLO C[C@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207048597 968578528 /nfs/dbraw/zinc/57/85/28/968578528.db2.gz XEFHSNBVDAKCKR-LBPRGKRZSA-N 1 2 229.327 2.709 20 0 BFADLO FC(F)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001207130749 968648994 /nfs/dbraw/zinc/64/89/94/968648994.db2.gz AECYQLIHXOYPBA-RYUDHWBXSA-N 1 2 239.265 2.597 20 0 BFADLO FC(F)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001207130749 968649002 /nfs/dbraw/zinc/64/90/02/968649002.db2.gz AECYQLIHXOYPBA-RYUDHWBXSA-N 1 2 239.265 2.597 20 0 BFADLO Cc1cc(NCc2ccncc2F)c[nH+]c1C ZINC001207325766 968724331 /nfs/dbraw/zinc/72/43/31/968724331.db2.gz IMUWIJNILVNDIU-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CCOc1cc(F)cc(-c2ccc[nH+]c2N)c1 ZINC001241024680 968862182 /nfs/dbraw/zinc/86/21/82/968862182.db2.gz FTRPQHRYUUHCPM-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)cc(F)c1F ZINC001241094722 968912402 /nfs/dbraw/zinc/91/24/02/968912402.db2.gz GYYFCIFZOZMCQJ-JKEDICHKSA-N 1 2 213.202 2.980 20 0 BFADLO C[C@H](C[N@@H+]1CCCC(=O)[C@@H](F)C1)c1ccccc1 ZINC001207899960 968925235 /nfs/dbraw/zinc/92/52/35/968925235.db2.gz RECCCJMEOKFHAG-OCCSQVGLSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@H](C[N@H+]1CCCC(=O)[C@@H](F)C1)c1ccccc1 ZINC001207899960 968925238 /nfs/dbraw/zinc/92/52/38/968925238.db2.gz RECCCJMEOKFHAG-OCCSQVGLSA-N 1 2 249.329 2.793 20 0 BFADLO Cc1ccc(CCC[N@@H+]2Cc3ccncc3C2)o1 ZINC001207948693 968941817 /nfs/dbraw/zinc/94/18/17/968941817.db2.gz XWIBMMGOHPWZLX-UHFFFAOYSA-N 1 2 242.322 2.931 20 0 BFADLO Cc1ccc(CCC[N@H+]2Cc3ccncc3C2)o1 ZINC001207948693 968941825 /nfs/dbraw/zinc/94/18/25/968941825.db2.gz XWIBMMGOHPWZLX-UHFFFAOYSA-N 1 2 242.322 2.931 20 0 BFADLO Nc1cc(-c2ccnc(C3CC3)c2)cc[nH+]1 ZINC001241169811 968942600 /nfs/dbraw/zinc/94/26/00/968942600.db2.gz CNHSKYGLXAIINU-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO CC(=O)Nc1ccc(C)cc1-c1cc[nH+]c(N)c1 ZINC001241171219 968943131 /nfs/dbraw/zinc/94/31/31/968943131.db2.gz YZVDWZJIEWTNHM-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Nc1cc(-c2ccccc2-c2cnco2)cc[nH+]1 ZINC001241161998 968944264 /nfs/dbraw/zinc/94/42/64/968944264.db2.gz FFCUDHLPNJRRTA-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-n2cccn2)cc1 ZINC001241393460 968992035 /nfs/dbraw/zinc/99/20/35/968992035.db2.gz UXABWAYLUHLDAH-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO Cc1ccc(-c2ccc3nn(C)cc3c2)[nH+]c1N ZINC001241606220 969070143 /nfs/dbraw/zinc/07/01/43/969070143.db2.gz SYEDQXGPHQNQTI-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccc(F)cn1 ZINC001241808664 969119733 /nfs/dbraw/zinc/11/97/33/969119733.db2.gz SHHXJJVBCWISPX-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CNc1ccc(-c2ccc3[nH+]c(C)cn3c2)cn1 ZINC001242069698 969195941 /nfs/dbraw/zinc/19/59/41/969195941.db2.gz ORYVIWVLXUAGBA-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO Cc1cn2cc(-c3c(C)noc3C)ccc2[nH+]1 ZINC001242106711 969204550 /nfs/dbraw/zinc/20/45/50/969204550.db2.gz MTZRUQVGHSFMNL-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)cc1O ZINC001242174139 969217656 /nfs/dbraw/zinc/21/76/56/969217656.db2.gz GWSAXZWUKSMJDO-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO Cc1ccc([C@@H](C)Nc2cccc[nH+]2)nc1 ZINC001168845679 969244284 /nfs/dbraw/zinc/24/42/84/969244284.db2.gz FOJLYWNBWGXEGW-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO CCOC(C)(C)C[N@@H+]1CCCC(F)(F)C1 ZINC001209071322 969345810 /nfs/dbraw/zinc/34/58/10/969345810.db2.gz XPSDOBBBMSPLRP-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCOC(C)(C)C[N@H+]1CCCC(F)(F)C1 ZINC001209071322 969345814 /nfs/dbraw/zinc/34/58/14/969345814.db2.gz XPSDOBBBMSPLRP-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1c(F)cncc1F)c1cccnc1 ZINC001169188426 969480174 /nfs/dbraw/zinc/48/01/74/969480174.db2.gz UZFVHHZNIUOTNW-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425560 969490605 /nfs/dbraw/zinc/49/06/05/969490605.db2.gz FQKVZFOGDHKHQW-RKDXNWHRSA-N 1 2 222.719 2.707 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425560 969490614 /nfs/dbraw/zinc/49/06/14/969490614.db2.gz FQKVZFOGDHKHQW-RKDXNWHRSA-N 1 2 222.719 2.707 20 0 BFADLO Clc1ncc(C[N@@H+]2CCC[C@H]3C[C@H]32)s1 ZINC001209471592 969523441 /nfs/dbraw/zinc/52/34/41/969523441.db2.gz BMNLLBAONOAIDY-IONNQARKSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1ncc(C[N@H+]2CCC[C@H]3C[C@H]32)s1 ZINC001209471592 969523449 /nfs/dbraw/zinc/52/34/49/969523449.db2.gz BMNLLBAONOAIDY-IONNQARKSA-N 1 2 228.748 2.781 20 0 BFADLO Fc1c[nH+]ccc1N1CC2CCC1CC2 ZINC001331911101 969535718 /nfs/dbraw/zinc/53/57/18/969535718.db2.gz QHKGZFLVRCJTLV-UHFFFAOYSA-N 1 2 206.264 2.600 20 0 BFADLO Cc1cc([NH2+][C@H]2CCC[C@@H](O)C2)ccc1N(C)C ZINC001169250656 969539177 /nfs/dbraw/zinc/53/91/77/969539177.db2.gz GGULUVHRNPYKQI-GXTWGEPZSA-N 1 2 248.370 2.776 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H](O)C2)ccc1[NH+](C)C ZINC001169250656 969539179 /nfs/dbraw/zinc/53/91/79/969539179.db2.gz GGULUVHRNPYKQI-GXTWGEPZSA-N 1 2 248.370 2.776 20 0 BFADLO FC1(F)CC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC001254216095 969543379 /nfs/dbraw/zinc/54/33/79/969543379.db2.gz AYEDLSASPIDLCK-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO FC1(F)CC[N@H+](C2CCC(F)(F)CC2)C1 ZINC001254216095 969543381 /nfs/dbraw/zinc/54/33/81/969543381.db2.gz AYEDLSASPIDLCK-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1nn(C)c2ccccc12 ZINC001209580355 969560254 /nfs/dbraw/zinc/56/02/54/969560254.db2.gz VMYDYEDIYNISFB-MNOVXSKESA-N 1 2 247.317 2.506 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1nn(C)c2ccccc12 ZINC001209580355 969560258 /nfs/dbraw/zinc/56/02/58/969560258.db2.gz VMYDYEDIYNISFB-MNOVXSKESA-N 1 2 247.317 2.506 20 0 BFADLO Fc1cnc(Nc2ccc3[nH]c[nH+]c3c2)s1 ZINC001209841518 969654613 /nfs/dbraw/zinc/65/46/13/969654613.db2.gz SUNQXGOGOQSGPB-UHFFFAOYSA-N 1 2 234.259 2.902 20 0 BFADLO Fc1cnc(Nc2ccc3[nH]c[nH+]c3c2)c(F)c1 ZINC001209843531 969655944 /nfs/dbraw/zinc/65/59/44/969655944.db2.gz ZKRUPTFROYALNQ-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO c1[nH]c2ccc(Nc3nonc3C3CC3)cc2[nH+]1 ZINC001209847274 969664554 /nfs/dbraw/zinc/66/45/54/969664554.db2.gz DWEIXKOWLCBEBO-UHFFFAOYSA-N 1 2 241.254 2.567 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2ccnnc2)cc1 ZINC001209961879 969724383 /nfs/dbraw/zinc/72/43/83/969724383.db2.gz OTOMFRRGTUMMSB-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2ccnnc2)cc1 ZINC001209961879 969724390 /nfs/dbraw/zinc/72/43/90/969724390.db2.gz OTOMFRRGTUMMSB-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO c1cc(Nc2ccc3c[nH+]ccc3c2)no1 ZINC001210044182 969772676 /nfs/dbraw/zinc/77/26/76/969772676.db2.gz MOAUZNZGRJSHPF-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO CCCC=CNc1[nH+]c(C)cc(C)c1C(N)=O ZINC001210058324 969779910 /nfs/dbraw/zinc/77/99/10/969779910.db2.gz OPYOIPFXEQUJFU-VOTSOKGWSA-N 1 2 233.315 2.523 20 0 BFADLO O[C@H]1c2ccccc2CC[C@@H]1Nc1cccc[nH+]1 ZINC001169612891 969792788 /nfs/dbraw/zinc/79/27/88/969792788.db2.gz IZVFEYHQSBAWOT-ZFWWWQNUSA-N 1 2 240.306 2.542 20 0 BFADLO CCC[C@@H](OCC[NH+]1CCOCC1)[C@@H](C)CC ZINC001210209268 969833248 /nfs/dbraw/zinc/83/32/48/969833248.db2.gz ZBMYXRUHAOWZFV-UONOGXRCSA-N 1 2 243.391 2.550 20 0 BFADLO c1cc2cc[nH+]cc2c(Nc2cnccn2)c1 ZINC001210222755 969838343 /nfs/dbraw/zinc/83/83/43/969838343.db2.gz WKJFKDKEDQXWEH-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO CO[C@@H](C)CNc1ccc([NH+](C)C)c(C)c1 ZINC001169777857 969843515 /nfs/dbraw/zinc/84/35/15/969843515.db2.gz GAKDJHFMSQZAIP-NSHDSACASA-N 1 2 222.332 2.508 20 0 BFADLO Cc1cc(O)cc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210289270 969857292 /nfs/dbraw/zinc/85/72/92/969857292.db2.gz CUYCAIFRKGOQCS-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCc1cccnc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287663 969858013 /nfs/dbraw/zinc/85/80/13/969858013.db2.gz ZKQVRDMVNBISMC-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO Cc1[nH+]cc(Nc2cccc(O)c2C)cc1N ZINC001210289630 969860302 /nfs/dbraw/zinc/86/03/02/969860302.db2.gz VSULZGZHUBTAKN-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CC(C)n1ccc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001210335618 969868612 /nfs/dbraw/zinc/86/86/12/969868612.db2.gz JHHBPSKRGBZMKW-UHFFFAOYSA-N 1 2 245.330 2.669 20 0 BFADLO COc1ccc[nH+]c1NCCCc1ccncc1 ZINC001156407373 969886858 /nfs/dbraw/zinc/88/68/58/969886858.db2.gz SJYCHURIYJCGTH-UHFFFAOYSA-N 1 2 243.310 2.530 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc(CO)c(F)c2)c1 ZINC001210481251 969902044 /nfs/dbraw/zinc/90/20/44/969902044.db2.gz IENJHEPOBDRPPO-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO CC(C)n1ccc(-c2cccc3[nH+]ccn32)n1 ZINC001242454626 969949201 /nfs/dbraw/zinc/94/92/01/969949201.db2.gz OQOFXFUYBWTSKX-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO F[C@H]1CCC[N@@H+]([C@H]2CCSC2)CC1(F)F ZINC001255281804 970038280 /nfs/dbraw/zinc/03/82/80/970038280.db2.gz DZHNBPKLBYWAKQ-IUCAKERBSA-N 1 2 239.306 2.561 20 0 BFADLO F[C@H]1CCC[N@H+]([C@H]2CCSC2)CC1(F)F ZINC001255281804 970038284 /nfs/dbraw/zinc/03/82/84/970038284.db2.gz DZHNBPKLBYWAKQ-IUCAKERBSA-N 1 2 239.306 2.561 20 0 BFADLO C/C=C(\C)c1cn2cc[nH+]c2cc1OC ZINC001242760273 970058347 /nfs/dbraw/zinc/05/83/47/970058347.db2.gz LAAYITXNPKJWFP-RUDMXATFSA-N 1 2 202.257 2.766 20 0 BFADLO Cc1c(Cl)nc(C2CCC2)nc1NC=[NH2+] ZINC001157079801 970081950 /nfs/dbraw/zinc/08/19/50/970081950.db2.gz BVZPDAKVSIVEOC-UHFFFAOYSA-N 1 2 224.695 2.725 20 0 BFADLO COCc1cncc(Nc2[nH+]c(C)ccc2C)c1 ZINC001211078404 970139109 /nfs/dbraw/zinc/13/91/09/970139109.db2.gz MLIFVZXSPUQEAI-UHFFFAOYSA-N 1 2 243.310 2.983 20 0 BFADLO Cc1occc1Nc1[nH+]cc(C)cc1N ZINC001211237854 970181857 /nfs/dbraw/zinc/18/18/57/970181857.db2.gz UAOBAEMXHWZCLH-UHFFFAOYSA-N 1 2 203.245 2.617 20 0 BFADLO Cc1c[nH]c2c1cccc2-c1c[nH+]cn1C ZINC001243066798 970254067 /nfs/dbraw/zinc/25/40/67/970254067.db2.gz AVXYKLVMYYXFGD-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO COc1nccc2cc(-c3c[nH+]cn3C)ccc21 ZINC001243069717 970259332 /nfs/dbraw/zinc/25/93/32/970259332.db2.gz XFIJQAUEEUYQDI-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CCc1cc2cc(-c3c[nH+]cn3C)cnc2[nH]1 ZINC001243068753 970263221 /nfs/dbraw/zinc/26/32/21/970263221.db2.gz GNOKPXZCUQJJNQ-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO C=Cc1cc(F)ccc1-c1c[nH+]cn1C ZINC001243070410 970265611 /nfs/dbraw/zinc/26/56/11/970265611.db2.gz VIVZFBDKXUHMRO-UHFFFAOYSA-N 1 2 202.232 2.869 20 0 BFADLO c1c[nH+]c(-c2ccc(Nc3cncnc3)cc2)[nH]1 ZINC001213085444 970273232 /nfs/dbraw/zinc/27/32/32/970273232.db2.gz FSKWMFGZEHJOFZ-UHFFFAOYSA-N 1 2 237.266 2.610 20 0 BFADLO COc1cnccc1-c1cc(C)c2[nH+]ccn2c1 ZINC001243074061 970287120 /nfs/dbraw/zinc/28/71/20/970287120.db2.gz YEQIVUCFHJHCLY-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2c(c1)NCC2 ZINC001213146174 970288733 /nfs/dbraw/zinc/28/87/33/970288733.db2.gz NVRMMPAYSZVNPD-UHFFFAOYSA-N 1 2 241.294 2.807 20 0 BFADLO Cc1cc(C)c(Nc2cnc(Cl)cn2)c[nH+]1 ZINC001213505992 970326105 /nfs/dbraw/zinc/32/61/05/970326105.db2.gz XSYOHYQIEOASLG-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCOc1cnc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001213508040 970329704 /nfs/dbraw/zinc/32/97/04/970329704.db2.gz JYVUIMWQRAILEP-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1cc(C)c(Nc2ncccc2O)c[nH+]1 ZINC001213505608 970330924 /nfs/dbraw/zinc/33/09/24/970330924.db2.gz KCNRKKKEXDLFFV-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)cc2C)on1 ZINC001213503656 970333610 /nfs/dbraw/zinc/33/36/10/970333610.db2.gz QYCUTCBIVPCAGB-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCc1nccnc1Nc1c[nH+]c(C)cc1C ZINC001213507991 970334999 /nfs/dbraw/zinc/33/49/99/970334999.db2.gz IWSGDVHVJBHHDT-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1coc(Nc2c[nH+]c(C)cc2C)n1 ZINC001213505937 970335124 /nfs/dbraw/zinc/33/51/24/970335124.db2.gz UPTDUAJAAMHMQK-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO COc1ncccc1Nc1c[nH+]cc(C)c1C ZINC001213523649 970346609 /nfs/dbraw/zinc/34/66/09/970346609.db2.gz YSQLCCNBDKBHBK-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cnc(Nc2c[nH+]cc(C)c2C)o1 ZINC001213522850 970347384 /nfs/dbraw/zinc/34/73/84/970347384.db2.gz HXEUZNQLQCZFOL-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCc1nccnc1Nc1c[nH+]cc(C)c1C ZINC001213527484 970347452 /nfs/dbraw/zinc/34/74/52/970347452.db2.gz NWSGYMMHAXNNKP-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1cnc(Nc2c[nH+]cc(C)c2C)c(C)n1 ZINC001213525239 970350040 /nfs/dbraw/zinc/35/00/40/970350040.db2.gz PKQSVZCIFQFEPL-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]cc(Nc2c(Cl)cnn2C)c1C ZINC001213527679 970350161 /nfs/dbraw/zinc/35/01/61/970350161.db2.gz YIRPOJAWOYNODX-UHFFFAOYSA-N 1 2 236.706 2.829 20 0 BFADLO CN(c1ccc(Cl)cc1N)c1[nH+]cccc1N ZINC001213644061 970371048 /nfs/dbraw/zinc/37/10/48/970371048.db2.gz IVAFQHXKJFXSRV-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO Cc1cnc(NC2C[NH+](C(C)C)C2)c(Cl)c1 ZINC001157525642 970407976 /nfs/dbraw/zinc/40/79/76/970407976.db2.gz HBJYITOUQNUETN-UHFFFAOYSA-N 1 2 239.750 2.548 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)CC(F)(F)F)n(C)n1 ZINC001255659384 970440755 /nfs/dbraw/zinc/44/07/55/970440755.db2.gz XZZWPIGSRWCCHB-SECBINFHSA-N 1 2 249.280 2.501 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)CC(F)(F)F)n(C)n1 ZINC001255659384 970440761 /nfs/dbraw/zinc/44/07/61/970440761.db2.gz XZZWPIGSRWCCHB-SECBINFHSA-N 1 2 249.280 2.501 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2N(C)C)c(N)c1 ZINC001214184702 970458264 /nfs/dbraw/zinc/45/82/64/970458264.db2.gz WPAFZGWTJVZXKQ-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2C)c(CO)c1 ZINC001214449314 970498497 /nfs/dbraw/zinc/49/84/97/970498497.db2.gz SJRMAXDWDVZXTJ-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CCCCCc1nnc([C@@H](C)n2cc[nH+]c2)o1 ZINC001256089392 970654184 /nfs/dbraw/zinc/65/41/84/970654184.db2.gz RZCVMQUHSIENNJ-SNVBAGLBSA-N 1 2 234.303 2.608 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CO[C@H](C)C1 ZINC000401822131 970731891 /nfs/dbraw/zinc/73/18/91/970731891.db2.gz FCQAUCNEEKEQOQ-VXGBXAGGSA-N 1 2 234.343 2.650 20 0 BFADLO CCCCCCc1nnc([C@@H](C)n2cc[nH+]c2)o1 ZINC001256339962 970745469 /nfs/dbraw/zinc/74/54/69/970745469.db2.gz HBSIGUSBWIDIAK-LLVKDONJSA-N 1 2 248.330 2.998 20 0 BFADLO C[C@@H]1CCC[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222595192 972593206 /nfs/dbraw/zinc/59/32/06/972593206.db2.gz SEPGUEBKVLJGBT-ZYHUDNBSSA-N 1 2 208.305 2.515 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)c1cccc(F)c1 ZINC001222594388 972593934 /nfs/dbraw/zinc/59/39/34/972593934.db2.gz GCLQEBASLGNNKJ-JTQLQIEISA-N 1 2 234.274 2.837 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1OCc1c[nH+]cn1C ZINC001222595011 972594576 /nfs/dbraw/zinc/59/45/76/972594576.db2.gz LPILHPUDJCBDLY-YPMHNXCESA-N 1 2 222.332 2.906 20 0 BFADLO Oc1ccc(C[N@H+](Cc2ccco2)C2CC2)nc1 ZINC001144262996 972722474 /nfs/dbraw/zinc/72/24/74/972722474.db2.gz LIEGEYQLXVBEBF-UHFFFAOYSA-N 1 2 244.294 2.545 20 0 BFADLO Oc1ccc(C[N@@H+](Cc2ccco2)C2CC2)nc1 ZINC001144262996 972722479 /nfs/dbraw/zinc/72/24/79/972722479.db2.gz LIEGEYQLXVBEBF-UHFFFAOYSA-N 1 2 244.294 2.545 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2ncccn2)c1 ZINC001144319274 972767878 /nfs/dbraw/zinc/76/78/78/972767878.db2.gz XEKTURKIAKVKOO-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2ncccn2)c1 ZINC001144319274 972767893 /nfs/dbraw/zinc/76/78/93/972767893.db2.gz XEKTURKIAKVKOO-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCC3(CC3)C2)c(F)c1 ZINC001144545126 972858185 /nfs/dbraw/zinc/85/81/85/972858185.db2.gz SSAKASMUUAUYFG-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCC3(CC3)C2)c(F)c1 ZINC001144545126 972858189 /nfs/dbraw/zinc/85/81/89/972858189.db2.gz SSAKASMUUAUYFG-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO C[C@]1(CF)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144615188 972888853 /nfs/dbraw/zinc/88/88/53/972888853.db2.gz GHOBMEWXGCTXBQ-CQSZACIVSA-N 1 2 247.317 2.516 20 0 BFADLO Cc1cc(COC2CCC(=O)CC2)cc(C)[nH+]1 ZINC001223421904 973061894 /nfs/dbraw/zinc/06/18/94/973061894.db2.gz RQYCXBDUKVDDSA-UHFFFAOYSA-N 1 2 233.311 2.727 20 0 BFADLO FCC[C@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC001328555486 973136730 /nfs/dbraw/zinc/13/67/30/973136730.db2.gz AKOJESIDULQPCT-SNVBAGLBSA-N 1 2 245.729 2.566 20 0 BFADLO FCC[C@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC001328555486 973136741 /nfs/dbraw/zinc/13/67/41/973136741.db2.gz AKOJESIDULQPCT-SNVBAGLBSA-N 1 2 245.729 2.566 20 0 BFADLO C/C(=C/C(C)(C)C)c1nnc(C[NH+](C)C)o1 ZINC001329323833 973681721 /nfs/dbraw/zinc/68/17/21/973681721.db2.gz MTKZWHAGQNFAAX-CLFYSBASSA-N 1 2 223.320 2.581 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H](SC)C1 ZINC000234951540 973797329 /nfs/dbraw/zinc/79/73/29/973797329.db2.gz IFWBXBAUQKJSQO-NXEZZACHSA-N 1 2 238.356 2.786 20 0 BFADLO Cc1cc(C)c(CSCc2nnc[nH]2)c(C)[nH+]1 ZINC001329709217 973894558 /nfs/dbraw/zinc/89/45/58/973894558.db2.gz NKJPSIXCISYPGN-UHFFFAOYSA-N 1 2 248.355 2.558 20 0 BFADLO Cc1cc(C)c(CSCc2nc[nH]n2)c(C)[nH+]1 ZINC001329709217 973894564 /nfs/dbraw/zinc/89/45/64/973894564.db2.gz NKJPSIXCISYPGN-UHFFFAOYSA-N 1 2 248.355 2.558 20 0 BFADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccccc1 ZINC000585414849 973914267 /nfs/dbraw/zinc/91/42/67/973914267.db2.gz AGZZFMVVNHDPPN-LLVKDONJSA-N 1 2 242.326 2.716 20 0 BFADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccccc1 ZINC000585414849 973914275 /nfs/dbraw/zinc/91/42/75/973914275.db2.gz AGZZFMVVNHDPPN-LLVKDONJSA-N 1 2 242.326 2.716 20 0 BFADLO Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC1(F)F)C2 ZINC001171394605 974003366 /nfs/dbraw/zinc/00/33/66/974003366.db2.gz ULLCKSCZOUOLEU-BXKDBHETSA-N 1 2 241.256 2.680 20 0 BFADLO CC(C)CC[C@@H]([NH2+]Cc1ncn[nH]1)C(C)(C)C ZINC001330559873 974314576 /nfs/dbraw/zinc/31/45/76/974314576.db2.gz RMMIPRZMHWLRQU-LLVKDONJSA-N 1 2 238.379 2.745 20 0 BFADLO CC(C)(C)C(=O)OC1CC(Oc2cc[nH+]cc2)C1 ZINC001225291116 974364586 /nfs/dbraw/zinc/36/45/86/974364586.db2.gz NWTIMWDYGWUPOO-UHFFFAOYSA-N 1 2 249.310 2.581 20 0 BFADLO C[C@H](COc1cc[nH+]cc1)Oc1ccccc1 ZINC001225294176 974368769 /nfs/dbraw/zinc/36/87/69/974368769.db2.gz GRJIAABRCDNTQX-GFCCVEGCSA-N 1 2 229.279 2.928 20 0 BFADLO C[C@H]([NH2+]Cc1cccn1C1CC1)c1csnn1 ZINC001330841390 974498685 /nfs/dbraw/zinc/49/86/85/974498685.db2.gz NVARMEBESVZDFE-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@H]1CC1(F)F ZINC001172314643 974521849 /nfs/dbraw/zinc/52/18/49/974521849.db2.gz GTMXSHGLZLGBKC-UTLUCORTSA-N 1 2 221.291 2.577 20 0 BFADLO C[C@@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C[C@H]1C ZINC001172364234 974638821 /nfs/dbraw/zinc/63/88/21/974638821.db2.gz AONJTOTZZVVIQR-IJLUTSLNSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C[C@H]1C ZINC001172364234 974638824 /nfs/dbraw/zinc/63/88/24/974638824.db2.gz AONJTOTZZVVIQR-IJLUTSLNSA-N 1 2 247.329 2.779 20 0 BFADLO CC[NH+]1CC(Oc2cccc(Cl)c2C)C1 ZINC001225921763 974729741 /nfs/dbraw/zinc/72/97/41/974729741.db2.gz XANQSWIQBWLPRA-UHFFFAOYSA-N 1 2 225.719 2.731 20 0 BFADLO CCC1(c2nnc(C[NH+](C)C)o2)CCCCC1 ZINC001331908338 974858675 /nfs/dbraw/zinc/85/86/75/974858675.db2.gz ANLNQUJKFXHINI-UHFFFAOYSA-N 1 2 237.347 2.743 20 0 BFADLO CC(C)[NH+]1CC(Oc2nsc3ccccc32)C1 ZINC001226433002 974897999 /nfs/dbraw/zinc/89/79/99/974897999.db2.gz NPZWWAYEUVETQJ-UHFFFAOYSA-N 1 2 248.351 2.768 20 0 BFADLO Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC1(F)F)CC2 ZINC001172823009 974946711 /nfs/dbraw/zinc/94/67/11/974946711.db2.gz DYQCGQVFDXCFLB-QWHCGFSZSA-N 1 2 237.293 2.850 20 0 BFADLO CCc1ccc(C[C@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001173242733 975167420 /nfs/dbraw/zinc/16/74/20/975167420.db2.gz HZVCWSQWNHACLB-ZDUSSCGKSA-N 1 2 245.366 2.845 20 0 BFADLO CCc1ccc(C[C@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001173242733 975167427 /nfs/dbraw/zinc/16/74/27/975167427.db2.gz HZVCWSQWNHACLB-ZDUSSCGKSA-N 1 2 245.366 2.845 20 0 BFADLO Cc1cn2cccc(Nc3conc3C)c2[nH+]1 ZINC001212718624 975230881 /nfs/dbraw/zinc/23/08/81/975230881.db2.gz RQHGMTFOZCBUMD-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO Cc1c[nH+]c(Nc2cccnc2C2CC2)c(N)c1 ZINC001212736068 975412385 /nfs/dbraw/zinc/41/23/85/975412385.db2.gz HDMOOUADENWWQM-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1cc(C(C)(C)C)ccc1OC1C[NH+](C)C1 ZINC001227674587 975591928 /nfs/dbraw/zinc/59/19/28/975591928.db2.gz HPJZMONEUZURLL-UHFFFAOYSA-N 1 2 233.355 2.985 20 0 BFADLO CN(C)c1ccc(Nc2ccsc2)c[nH+]1 ZINC001173819528 975594995 /nfs/dbraw/zinc/59/49/95/975594995.db2.gz VYVUXCKMLIFMKL-UHFFFAOYSA-N 1 2 219.313 2.953 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001173801168 975663194 /nfs/dbraw/zinc/66/31/94/975663194.db2.gz UFTLWCDFNVUXNI-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001173805606 975694777 /nfs/dbraw/zinc/69/47/77/975694777.db2.gz TZVHJFMJXKVYGV-UHFFFAOYSA-N 1 2 230.267 2.842 20 0 BFADLO COc1cc[nH+]c(Nc2ccccc2F)c1 ZINC001173847577 975749150 /nfs/dbraw/zinc/74/91/50/975749150.db2.gz CAARLNJNYRMNTI-UHFFFAOYSA-N 1 2 218.231 2.973 20 0 BFADLO CCCCOc1cccc(OC2C[NH+](CC)C2)c1 ZINC001227945782 975807441 /nfs/dbraw/zinc/80/74/41/975807441.db2.gz SILUGTGMFZEBAM-UHFFFAOYSA-N 1 2 249.354 2.948 20 0 BFADLO CC[NH+]1CC(Oc2cc(C)cc(Cl)c2)C1 ZINC001227985247 975830783 /nfs/dbraw/zinc/83/07/83/975830783.db2.gz SMYMVQUDHWNHJO-UHFFFAOYSA-N 1 2 225.719 2.731 20 0 BFADLO Cc1cccc(C(C)(C)C)c1OC1C[NH+](C)C1 ZINC001227991912 975837699 /nfs/dbraw/zinc/83/76/99/975837699.db2.gz HWIGFCAPXAFHMN-UHFFFAOYSA-N 1 2 233.355 2.985 20 0 BFADLO Cn1c(Nc2ccoc2)[nH+]c2ccccc21 ZINC001173930949 976036248 /nfs/dbraw/zinc/03/62/48/976036248.db2.gz CHXAMMQVTXXAOR-UHFFFAOYSA-N 1 2 213.240 2.910 20 0 BFADLO CC[C@H](COC)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327485 976119923 /nfs/dbraw/zinc/11/99/23/976119923.db2.gz RAWSUPAOAXHSBV-SNVBAGLBSA-N 1 2 234.299 2.675 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3CCO[C@@H](C)C3)cc2[nH+]1 ZINC001228330622 976130735 /nfs/dbraw/zinc/13/07/35/976130735.db2.gz ZUVZSGBILYRVBU-JOYOIKCWSA-N 1 2 246.310 2.818 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1C1=CCCC1 ZINC001174000490 976163681 /nfs/dbraw/zinc/16/36/81/976163681.db2.gz XXFYNZGIASLXQM-UHFFFAOYSA-N 1 2 213.284 2.952 20 0 BFADLO COc1cc(Nc2cccnc2OC)cc(C)[nH+]1 ZINC001174041658 976255215 /nfs/dbraw/zinc/25/52/15/976255215.db2.gz ZXUJQOQBZNBKCU-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COCc1ccccc1Nc1c[nH+]ccc1OC ZINC001174101849 976298421 /nfs/dbraw/zinc/29/84/21/976298421.db2.gz AISPLDGZQSCOTM-UHFFFAOYSA-N 1 2 244.294 2.980 20 0 BFADLO COCc1ccccc1Nc1[nH+]cc(O)cc1C ZINC001174103357 976304490 /nfs/dbraw/zinc/30/44/90/976304490.db2.gz IBTPXBIYQXSOKJ-UHFFFAOYSA-N 1 2 244.294 2.986 20 0 BFADLO Cc1nn(C)c(C)c1Nc1cc(C)cc(C)[nH+]1 ZINC001174224295 976420469 /nfs/dbraw/zinc/42/04/69/976420469.db2.gz UIVMIWOZAUEZCO-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO Cc1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001174282095 976441444 /nfs/dbraw/zinc/44/14/44/976441444.db2.gz IJMCMNBJAGCVKZ-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO COc1cc(Nc2ccc(C)nc2)cc(C)[nH+]1 ZINC001174282017 976442636 /nfs/dbraw/zinc/44/26/36/976442636.db2.gz VDMNOMJMOZDDFL-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cn1cc(Nc2cccc3cc[nH+]cc32)cn1 ZINC001174330626 976536886 /nfs/dbraw/zinc/53/68/86/976536886.db2.gz LOVGLLKHYSGCMF-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cn(C)nc2C)cc1 ZINC001174339264 976564462 /nfs/dbraw/zinc/56/44/62/976564462.db2.gz XHIWZMRGTYMLKA-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cn(C)nc2C)cc1 ZINC001174339264 976564478 /nfs/dbraw/zinc/56/44/78/976564478.db2.gz XHIWZMRGTYMLKA-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO c1cn2ccc(Nc3cccc4n[nH]cc43)cc2[nH+]1 ZINC001174344921 976571730 /nfs/dbraw/zinc/57/17/30/976571730.db2.gz UGCSGCYAGRCVHQ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cn2ccc(Nc3cccc4[nH]ncc43)cc2[nH+]1 ZINC001174344921 976571741 /nfs/dbraw/zinc/57/17/41/976571741.db2.gz UGCSGCYAGRCVHQ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cc2c(nccc2Nc2cccn3cc[nH+]c23)[nH]1 ZINC001174408227 976686613 /nfs/dbraw/zinc/68/66/13/976686613.db2.gz GTEZBKYIJORIJA-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO c1cc2c(nccc2Nc2ccn3cc[nH+]c3c2)[nH]1 ZINC001174410830 976699673 /nfs/dbraw/zinc/69/96/73/976699673.db2.gz UGULIPNWXQBGCY-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO CC(C)c1ocnc1C[NH+](C1CC1)C1CC1 ZINC001335103363 976850929 /nfs/dbraw/zinc/85/09/29/976850929.db2.gz VZYAEOZTOXRNMJ-UHFFFAOYSA-N 1 2 220.316 2.925 20 0 BFADLO CC(C)=CNc1cccn2cc(C)[nH+]c12 ZINC001174553836 976855790 /nfs/dbraw/zinc/85/57/90/976855790.db2.gz BNFSJNPSRJHSSY-UHFFFAOYSA-N 1 2 201.273 2.978 20 0 BFADLO CCN(C)c1ccc(NC=C(C)C)c[nH+]1 ZINC001174554191 976858472 /nfs/dbraw/zinc/85/84/72/976858472.db2.gz WPMGDPUZNCSXGZ-UHFFFAOYSA-N 1 2 205.305 2.873 20 0 BFADLO COc1cc[nH+]c(Nc2cnc(C3CC3)nc2)c1 ZINC001174610701 976922054 /nfs/dbraw/zinc/92/20/54/976922054.db2.gz FZLVRIRSIZBEAA-UHFFFAOYSA-N 1 2 242.282 2.501 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cnc1F ZINC001335483365 977091371 /nfs/dbraw/zinc/09/13/71/977091371.db2.gz QYASGIXOCVSXKN-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cnc1F ZINC001335483365 977091383 /nfs/dbraw/zinc/09/13/83/977091383.db2.gz QYASGIXOCVSXKN-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO COCc1ccc(Nc2[nH+]cc(O)cc2C)cc1 ZINC001174916887 977164916 /nfs/dbraw/zinc/16/49/16/977164916.db2.gz JOAOTZLHPFYBST-UHFFFAOYSA-N 1 2 244.294 2.986 20 0 BFADLO Cc1ccc(C)c([N@H+]2C(=N)C=CC(Cl)=C2N)c1 ZINC001175163355 977315857 /nfs/dbraw/zinc/31/58/57/977315857.db2.gz LIXFRAIWFMGVPI-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1ccc(C)c([N@@H+]2C(=N)C=CC(Cl)=C2N)c1 ZINC001175163355 977315866 /nfs/dbraw/zinc/31/58/66/977315866.db2.gz LIXFRAIWFMGVPI-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc([S@](C)=O)cc1 ZINC001175471108 977438940 /nfs/dbraw/zinc/43/89/40/977438940.db2.gz OCRNXQSGKPXPAP-KRWDZBQOSA-N 1 2 246.335 2.871 20 0 BFADLO c1ncc(Nc2ccc[nH+]c2N2CCCC2)s1 ZINC001175495112 977447207 /nfs/dbraw/zinc/44/72/07/977447207.db2.gz ICUYHJDETDRFBM-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO COC[C@H](C)Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231078263 977460678 /nfs/dbraw/zinc/46/06/78/977460678.db2.gz ADUQQESXYNFNGC-NSHDSACASA-N 1 2 246.310 2.501 20 0 BFADLO CCO[C@@H](C)COc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081901 977472236 /nfs/dbraw/zinc/47/22/36/977472236.db2.gz PJLDHRGATYZGIZ-NSHDSACASA-N 1 2 246.310 2.881 20 0 BFADLO OCc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001175563829 977547470 /nfs/dbraw/zinc/54/74/70/977547470.db2.gz VUWVXHDNUMFQEJ-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO C[N@@H+]1CCCC(=Nc2cc(C3CCCC3)no2)C1 ZINC001175574131 977568175 /nfs/dbraw/zinc/56/81/75/977568175.db2.gz MYFGUGFXMHSWMF-UHFFFAOYSA-N 1 2 247.342 2.964 20 0 BFADLO C[N@H+]1CCCC(=Nc2cc(C3CCCC3)no2)C1 ZINC001175574131 977568184 /nfs/dbraw/zinc/56/81/84/977568184.db2.gz MYFGUGFXMHSWMF-UHFFFAOYSA-N 1 2 247.342 2.964 20 0 BFADLO CSc1ccc(Nc2[nH+]cc(C)cc2N)cn1 ZINC001175653764 977611663 /nfs/dbraw/zinc/61/16/63/977611663.db2.gz JBDIHQSOLCGHIV-UHFFFAOYSA-N 1 2 246.339 2.833 20 0 BFADLO CCc1ccc(C[NH+]2CC(OC(C)C)C2)s1 ZINC001231503142 977616784 /nfs/dbraw/zinc/61/67/84/977616784.db2.gz PPEHDERXANMXLV-UHFFFAOYSA-N 1 2 239.384 2.920 20 0 BFADLO Oc1ccc(C[NH+]2CC=CC2)cc1C(F)(F)F ZINC001231524712 977630813 /nfs/dbraw/zinc/63/08/13/977630813.db2.gz VGTGCGFXBQYLTD-UHFFFAOYSA-N 1 2 243.228 2.783 20 0 BFADLO COc1cc(Cl)c(C[NH+]2CCC2)c(OC)c1 ZINC001231694746 977699168 /nfs/dbraw/zinc/69/91/68/977699168.db2.gz YBMSAQPPLANLBM-UHFFFAOYSA-N 1 2 241.718 2.563 20 0 BFADLO CC(C)Oc1ncccc1C[NH+]1CC(C)(C)C1 ZINC001231755328 977725487 /nfs/dbraw/zinc/72/54/87/977725487.db2.gz UNJVRMSWWSGWLM-UHFFFAOYSA-N 1 2 234.343 2.711 20 0 BFADLO CCc1ccc(N2C[C@@H](CC)O[C@@H](C)C2)[nH+]c1 ZINC001336503941 977733064 /nfs/dbraw/zinc/73/30/64/977733064.db2.gz RJHCABBBMSYJBY-WCQYABFASA-N 1 2 234.343 2.648 20 0 BFADLO CC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)C[C@H](C)O1 ZINC001336515983 977744876 /nfs/dbraw/zinc/74/48/76/977744876.db2.gz HPVWDTYZCAVBPL-CMPLNLGQSA-N 1 2 238.306 2.533 20 0 BFADLO Cc1cc(F)cc(N2CC=C(C)CC2)[nH+]1 ZINC001336555704 977777401 /nfs/dbraw/zinc/77/74/01/977777401.db2.gz HVQZTSYTGLUADM-UHFFFAOYSA-N 1 2 206.264 2.686 20 0 BFADLO Cc1cc(N(C)c2[nH+]cccc2N)cc(C)c1N ZINC001175933181 977819803 /nfs/dbraw/zinc/81/98/03/977819803.db2.gz XXLSUOJCMSGTCE-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO Clc1nc2ccccc2nc1Nc1[nH]cc[nH+]1 ZINC001176078812 977870491 /nfs/dbraw/zinc/87/04/91/977870491.db2.gz ANYYGFQENVVPAY-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Nc1cc(Cl)cc2c1ccn2-c1[nH]cc[nH+]1 ZINC001176085765 977890200 /nfs/dbraw/zinc/89/02/00/977890200.db2.gz XYXMQGKUVGVRRD-UHFFFAOYSA-N 1 2 232.674 2.589 20 0 BFADLO CC[NH+](CC)Cc1c(Cl)nccc1OC ZINC001232152908 977898292 /nfs/dbraw/zinc/89/82/92/977898292.db2.gz WANWPXLCKBZIAO-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO C[N@H+](CCF)Cc1ccnc(C(C)(C)C)c1 ZINC001232218788 977942479 /nfs/dbraw/zinc/94/24/79/977942479.db2.gz HNDGYLHFWFJARV-UHFFFAOYSA-N 1 2 224.323 2.780 20 0 BFADLO C[N@@H+](CCF)Cc1ccnc(C(C)(C)C)c1 ZINC001232218788 977942485 /nfs/dbraw/zinc/94/24/85/977942485.db2.gz HNDGYLHFWFJARV-UHFFFAOYSA-N 1 2 224.323 2.780 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(Cl)c1 ZINC001176117254 977947364 /nfs/dbraw/zinc/94/73/64/977947364.db2.gz XTMROFBMYCSDSV-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)ncc1F ZINC001176121033 977949389 /nfs/dbraw/zinc/94/93/89/977949389.db2.gz FDTBWNDBNRLURN-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1Nc1ccnn1C1CCC1 ZINC001176119395 977950240 /nfs/dbraw/zinc/95/02/40/977950240.db2.gz RTAFPPOQLCGCCT-UHFFFAOYSA-N 1 2 244.298 2.755 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C(C)C)no1 ZINC001176119170 977952064 /nfs/dbraw/zinc/95/20/64/977952064.db2.gz MEPOBIQKLSEUPM-UHFFFAOYSA-N 1 2 233.271 2.945 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)nc1C ZINC001176118781 977952075 /nfs/dbraw/zinc/95/20/75/977952075.db2.gz HLDNESLGONZKIO-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)cc1OC ZINC001176124850 977955183 /nfs/dbraw/zinc/95/51/83/977955183.db2.gz RBBJCKSHNJDCLD-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2cnoc21 ZINC001176123037 977956967 /nfs/dbraw/zinc/95/69/67/977956967.db2.gz HKHULUAFRLGNLP-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)cc1F ZINC001176121587 977957378 /nfs/dbraw/zinc/95/73/78/977957378.db2.gz YUSGSONVHSPXIQ-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc([C@@H](C)O)c1 ZINC001176122017 977958939 /nfs/dbraw/zinc/95/89/39/977958939.db2.gz ZBCQLPVVDWEPLL-SNVBAGLBSA-N 1 2 244.294 2.887 20 0 BFADLO COc1cc[nH+]cc1Nc1c(C)cccc1O ZINC001176123089 977959764 /nfs/dbraw/zinc/95/97/64/977959764.db2.gz MLBGJNZIOPPSRK-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CC(C)c1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001204168465 977960859 /nfs/dbraw/zinc/96/08/59/977960859.db2.gz OZGKCCXUHFJDMP-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO CCCc1cc[nH+]c(Nc2ccc(=O)[nH]c2)c1 ZINC001176129306 977969710 /nfs/dbraw/zinc/96/97/10/977969710.db2.gz TUONTJWSJOKUPI-UHFFFAOYSA-N 1 2 229.283 2.878 20 0 BFADLO Cc1noc(C)c1Nc1ccn2cc[nH+]c2c1 ZINC001176178526 977979190 /nfs/dbraw/zinc/97/91/90/977979190.db2.gz WPRRALKHNRNHND-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001336826057 977987093 /nfs/dbraw/zinc/98/70/93/977987093.db2.gz OHOGKOBHYJFNJN-AXFHLTTASA-N 1 2 245.338 2.587 20 0 BFADLO C[N@H+](Cc1cc(Cl)cs1)C1(C)COC1 ZINC001232281342 977991894 /nfs/dbraw/zinc/99/18/94/977991894.db2.gz IVNDIJCEMCSHMN-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1cc(Cl)cs1)C1(C)COC1 ZINC001232281342 977991900 /nfs/dbraw/zinc/99/19/00/977991900.db2.gz IVNDIJCEMCSHMN-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO Cc1nc(N[C@@H]2CCOCC23CCCC3)cc[nH+]1 ZINC001336868723 978010754 /nfs/dbraw/zinc/01/07/54/978010754.db2.gz QKUUSYGCORNEHU-GFCCVEGCSA-N 1 2 247.342 2.546 20 0 BFADLO c1ccc(N[C@@H]2CCOCC23CCCC3)[nH+]c1 ZINC001336870001 978012602 /nfs/dbraw/zinc/01/26/02/978012602.db2.gz ZMJKVIFLJUPBHQ-GFCCVEGCSA-N 1 2 232.327 2.843 20 0 BFADLO CSc1cc(C)c(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC001232341896 978017805 /nfs/dbraw/zinc/01/78/05/978017805.db2.gz HYBIKDGDMQPHAO-LLVKDONJSA-N 1 2 240.347 2.656 20 0 BFADLO CSc1cc(C)c(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC001232341896 978017819 /nfs/dbraw/zinc/01/78/19/978017819.db2.gz HYBIKDGDMQPHAO-LLVKDONJSA-N 1 2 240.347 2.656 20 0 BFADLO OCc1cc(Nc2cccc3[nH+]ccn32)cs1 ZINC001176365663 978049044 /nfs/dbraw/zinc/04/90/44/978049044.db2.gz FTSUKSKMQKRESU-UHFFFAOYSA-N 1 2 245.307 2.632 20 0 BFADLO OCc1cc(Nc2cccn3cc[nH+]c23)cs1 ZINC001176368219 978054287 /nfs/dbraw/zinc/05/42/87/978054287.db2.gz PITXJDQSOOQYEM-UHFFFAOYSA-N 1 2 245.307 2.632 20 0 BFADLO Cc1c(F)cc(C[NH+]2CCSCC2)cc1F ZINC001232422191 978055072 /nfs/dbraw/zinc/05/50/72/978055072.db2.gz WHFQUSCFZHLRQE-UHFFFAOYSA-N 1 2 243.322 2.822 20 0 BFADLO CSc1cc(Nc2cnc(C)nc2)cc[nH+]1 ZINC001176395220 978069203 /nfs/dbraw/zinc/06/92/03/978069203.db2.gz LFSPCTLYDXWNTF-UHFFFAOYSA-N 1 2 232.312 2.646 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)o1 ZINC001232441328 978077498 /nfs/dbraw/zinc/07/74/98/978077498.db2.gz OPOQKHFPRSCDEP-ZETCQYMHSA-N 1 2 219.206 2.893 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)o1 ZINC001232441328 978077507 /nfs/dbraw/zinc/07/75/07/978077507.db2.gz OPOQKHFPRSCDEP-ZETCQYMHSA-N 1 2 219.206 2.893 20 0 BFADLO Oc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001176415867 978081616 /nfs/dbraw/zinc/08/16/16/978081616.db2.gz WREPPBWIMMFTKA-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c[nH]1 ZINC001232459483 978083616 /nfs/dbraw/zinc/08/36/16/978083616.db2.gz DSZBBGOELDWQAQ-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c[nH]1 ZINC001232459483 978083628 /nfs/dbraw/zinc/08/36/28/978083628.db2.gz DSZBBGOELDWQAQ-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)[nH]1 ZINC001232459483 978083638 /nfs/dbraw/zinc/08/36/38/978083638.db2.gz DSZBBGOELDWQAQ-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1ncc(C[N@H+]2CCC(F)(F)C(C)(C)C2)[nH]1 ZINC001232459483 978083649 /nfs/dbraw/zinc/08/36/49/978083649.db2.gz DSZBBGOELDWQAQ-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3[C@@H]2C)c[nH]1 ZINC001232458960 978088797 /nfs/dbraw/zinc/08/87/97/978088797.db2.gz XVWFEVCLXPAAGX-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3[C@@H]2C)c[nH]1 ZINC001232458960 978088810 /nfs/dbraw/zinc/08/88/10/978088810.db2.gz XVWFEVCLXPAAGX-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@H]2C(F)(F)F)c[nH+]1 ZINC001232462134 978094952 /nfs/dbraw/zinc/09/49/52/978094952.db2.gz JWMHTGJVHOKDPD-JTQLQIEISA-N 1 2 247.264 2.635 20 0 BFADLO Cc1[nH]cc(CN2CCCC[C@H]2C(F)(F)F)[nH+]1 ZINC001232462134 978094963 /nfs/dbraw/zinc/09/49/63/978094963.db2.gz JWMHTGJVHOKDPD-JTQLQIEISA-N 1 2 247.264 2.635 20 0 BFADLO Cc1[nH]c(CN2Cc3cccc(Cl)c3C2)c[nH+]1 ZINC001232464608 978114995 /nfs/dbraw/zinc/11/49/95/978114995.db2.gz JFEBVZUAZXXCJI-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Cc1[nH]cc(CN2Cc3cccc(Cl)c3C2)[nH+]1 ZINC001232464608 978114997 /nfs/dbraw/zinc/11/49/97/978114997.db2.gz JFEBVZUAZXXCJI-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC001232555119 978182848 /nfs/dbraw/zinc/18/28/48/978182848.db2.gz LFWQKIMYJFRPHL-ZJUUUORDSA-N 1 2 234.274 2.618 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC001232555119 978182855 /nfs/dbraw/zinc/18/28/55/978182855.db2.gz LFWQKIMYJFRPHL-ZJUUUORDSA-N 1 2 234.274 2.618 20 0 BFADLO COC1(C)C[NH+](Cc2ccc3ncsc3c2)C1 ZINC001232736706 978254912 /nfs/dbraw/zinc/25/49/12/978254912.db2.gz JQLYKCSRRBMMNW-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO Cc1c(C[N@H+]2C[C@H](F)C[C@H]2C)ccnc1Cl ZINC001232750873 978262548 /nfs/dbraw/zinc/26/25/48/978262548.db2.gz GCJFZYSDYFPGGA-LDYMZIIASA-N 1 2 242.725 2.976 20 0 BFADLO Cc1c(C[N@@H+]2C[C@H](F)C[C@H]2C)ccnc1Cl ZINC001232750873 978262557 /nfs/dbraw/zinc/26/25/57/978262557.db2.gz GCJFZYSDYFPGGA-LDYMZIIASA-N 1 2 242.725 2.976 20 0 BFADLO CC[NH+](CC)Cc1ccc(F)c(O)c1F ZINC001232934360 978342484 /nfs/dbraw/zinc/34/24/84/978342484.db2.gz ZJMNMMGGBXYCPR-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@@H]2CC=CCC2)[nH+]1 ZINC001597807281 978369422 /nfs/dbraw/zinc/36/94/22/978369422.db2.gz ZIXWYNBAUSEMBH-LLVKDONJSA-N 1 2 247.342 2.506 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC001597807281 978369431 /nfs/dbraw/zinc/36/94/31/978369431.db2.gz ZIXWYNBAUSEMBH-LLVKDONJSA-N 1 2 247.342 2.506 20 0 BFADLO Oc1cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc(F)c1F ZINC001232973492 978375908 /nfs/dbraw/zinc/37/59/08/978375908.db2.gz BQGWIWCTQJEAMK-KOLCDFICSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc(F)c1F ZINC001232973492 978375920 /nfs/dbraw/zinc/37/59/20/978375920.db2.gz BQGWIWCTQJEAMK-KOLCDFICSA-N 1 2 239.265 2.655 20 0 BFADLO CC(C)C[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233032516 978419563 /nfs/dbraw/zinc/41/95/63/978419563.db2.gz HMLYKRKBQDDTFA-UHFFFAOYSA-N 1 2 228.723 2.528 20 0 BFADLO CC(C)C[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233032516 978419566 /nfs/dbraw/zinc/41/95/66/978419566.db2.gz HMLYKRKBQDDTFA-UHFFFAOYSA-N 1 2 228.723 2.528 20 0 BFADLO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233035837 978420138 /nfs/dbraw/zinc/42/01/38/978420138.db2.gz JLTTZQQKTHLVLQ-MRVPVSSYSA-N 1 2 228.723 2.671 20 0 BFADLO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233035837 978420151 /nfs/dbraw/zinc/42/01/51/978420151.db2.gz JLTTZQQKTHLVLQ-MRVPVSSYSA-N 1 2 228.723 2.671 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCC1(C)C ZINC001337641444 978437510 /nfs/dbraw/zinc/43/75/10/978437510.db2.gz WWTLNUGJDJKGMR-LBPRGKRZSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001233250738 978513503 /nfs/dbraw/zinc/51/35/03/978513503.db2.gz XSIWNFPKDJUKPB-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO Cc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001233250738 978513514 /nfs/dbraw/zinc/51/35/14/978513514.db2.gz XSIWNFPKDJUKPB-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO CCc1ccc(N2CCCO[C@@H](CC)C2)[nH+]c1 ZINC001337859586 978528932 /nfs/dbraw/zinc/52/89/32/978528932.db2.gz QWUPYQIFTRKXGY-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1cnsc1C[N@H+](C)Cc1cncs1 ZINC001233321814 978563715 /nfs/dbraw/zinc/56/37/15/978563715.db2.gz FKIKUEPSCJQGHI-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1cnsc1C[N@@H+](C)Cc1cncs1 ZINC001233321814 978563720 /nfs/dbraw/zinc/56/37/20/978563720.db2.gz FKIKUEPSCJQGHI-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO COC1(C)C[NH+](Cc2cc3cccnc3s2)C1 ZINC001233345092 978568012 /nfs/dbraw/zinc/56/80/12/978568012.db2.gz FRQLFWNSWYORNI-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO CC1(C)C[NH+](Cc2cn3ccc(Cl)cc3n2)C1 ZINC001233388931 978598037 /nfs/dbraw/zinc/59/80/37/978598037.db2.gz RZBPGYIZLUFOLY-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1c(Cl)ncnc1Cl ZINC001233407036 978598125 /nfs/dbraw/zinc/59/81/25/978598125.db2.gz ORSIMJFYDFADED-SSDOTTSWSA-N 1 2 246.141 2.768 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1c(Cl)ncnc1Cl ZINC001233407036 978598129 /nfs/dbraw/zinc/59/81/29/978598129.db2.gz ORSIMJFYDFADED-SSDOTTSWSA-N 1 2 246.141 2.768 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCC[C@@H]1C ZINC001338242594 978639682 /nfs/dbraw/zinc/63/96/82/978639682.db2.gz MCRUFCWOJIKRLA-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccoc2)C[C@H]1F ZINC001204241286 978687459 /nfs/dbraw/zinc/68/74/59/978687459.db2.gz FKDWMNOGRUENKK-MNOVXSKESA-N 1 2 215.243 2.552 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccoc2)C[C@H]1F ZINC001204241286 978687469 /nfs/dbraw/zinc/68/74/69/978687469.db2.gz FKDWMNOGRUENKK-MNOVXSKESA-N 1 2 215.243 2.552 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccoc2)C[C@@H]1F ZINC001204241287 978688502 /nfs/dbraw/zinc/68/85/02/978688502.db2.gz FKDWMNOGRUENKK-QWRGUYRKSA-N 1 2 215.243 2.552 20 0 BFADLO COc1cccc(F)c1C[NH2+]Cc1ccoc1 ZINC001179680808 978743142 /nfs/dbraw/zinc/74/31/42/978743142.db2.gz CINLAQZUYRQMMD-UHFFFAOYSA-N 1 2 235.258 2.717 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102990 978795234 /nfs/dbraw/zinc/79/52/34/978795234.db2.gz MCNCJXOWFUHJRV-OLZOCXBDSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)S[C@@H](C)C2)[nH+]1 ZINC001339595675 978875697 /nfs/dbraw/zinc/87/56/97/978875697.db2.gz IXPJNENPEWFGTA-AOOOYVTPSA-N 1 2 240.347 2.859 20 0 BFADLO Cc1cc(C)c(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1C ZINC001235007359 978951606 /nfs/dbraw/zinc/95/16/06/978951606.db2.gz MMARWNRJKDJQCJ-UHFFFAOYSA-N 1 2 244.382 2.535 20 0 BFADLO Cc1cc(C)c(C[N@H+]2CC3CC2(C[NH3+])C3)cc1C ZINC001235007359 978951614 /nfs/dbraw/zinc/95/16/14/978951614.db2.gz MMARWNRJKDJQCJ-UHFFFAOYSA-N 1 2 244.382 2.535 20 0 BFADLO CNc1cc(Cc2c(F)cccc2F)cc[nH+]1 ZINC001249988270 978954292 /nfs/dbraw/zinc/95/42/92/978954292.db2.gz MYJKHXHOHIJWJD-UHFFFAOYSA-N 1 2 234.249 2.992 20 0 BFADLO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235412132 979039475 /nfs/dbraw/zinc/03/94/75/979039475.db2.gz AWMBVRLUEXJNRZ-VHSXEESVSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235412132 979039483 /nfs/dbraw/zinc/03/94/83/979039483.db2.gz AWMBVRLUEXJNRZ-VHSXEESVSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682093 979118145 /nfs/dbraw/zinc/11/81/45/979118145.db2.gz UYSZDMBQDNZIHW-VIFPVBQESA-N 1 2 233.290 2.686 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1nc2ccc(F)cc2[nH]1 ZINC001235682093 979118153 /nfs/dbraw/zinc/11/81/53/979118153.db2.gz UYSZDMBQDNZIHW-VIFPVBQESA-N 1 2 233.290 2.686 20 0 BFADLO C[N@H+](CCC1CC1)Cc1nc2ccc(F)cc2[nH]1 ZINC001235694640 979122237 /nfs/dbraw/zinc/12/22/37/979122237.db2.gz HIKCMMPXOMYMIV-UHFFFAOYSA-N 1 2 247.317 2.934 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1nc2ccc(F)cc2[nH]1 ZINC001235694640 979122240 /nfs/dbraw/zinc/12/22/40/979122240.db2.gz HIKCMMPXOMYMIV-UHFFFAOYSA-N 1 2 247.317 2.934 20 0 BFADLO CC[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235695226 979122324 /nfs/dbraw/zinc/12/23/24/979122324.db2.gz RMKFPARFZMQPOJ-SNVBAGLBSA-N 1 2 247.317 2.934 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235695226 979122327 /nfs/dbraw/zinc/12/23/27/979122327.db2.gz RMKFPARFZMQPOJ-SNVBAGLBSA-N 1 2 247.317 2.934 20 0 BFADLO Cc1ccc(-n2cc(N)c3cccnc32)c(C)[nH+]1 ZINC001203368012 979279984 /nfs/dbraw/zinc/27/99/84/979279984.db2.gz SNUGUPLNYHPOOC-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO COc1ncc(Nc2ccc(C)[nH+]c2C)cc1F ZINC001203369862 979465728 /nfs/dbraw/zinc/46/57/28/979465728.db2.gz DFXTUHVWIMBHRG-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1nc(C)cnc1Nc1ccc(C)[nH+]c1C ZINC001203370610 979469121 /nfs/dbraw/zinc/46/91/21/979469121.db2.gz PFDGMCIAAUJEFF-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COC(=O)c1ccc(Nc2ccc(C)[nH+]c2C)o1 ZINC001203370659 979473454 /nfs/dbraw/zinc/47/34/54/979473454.db2.gz RUXKNTSLRMSKPM-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO Cc1ccc(Nc2c(C)ncnc2C)c(C)[nH+]1 ZINC001203370745 979476009 /nfs/dbraw/zinc/47/60/09/979476009.db2.gz UBILALLLBITNFT-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CSc1cc(Nc2ccc(C)[nH+]c2C)n(C)n1 ZINC001203370891 979481543 /nfs/dbraw/zinc/48/15/43/979481543.db2.gz ZLZDHQDQPFUGLK-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO CNc1cccc(-c2ccc(N)[nH+]c2)c1C ZINC001236324211 979508538 /nfs/dbraw/zinc/50/85/38/979508538.db2.gz XMYGFDCQHJILIJ-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO Cc1cc(N(C)C)ccc1-c1ccc(N)[nH+]c1 ZINC001236316367 979528369 /nfs/dbraw/zinc/52/83/69/979528369.db2.gz MOXORMVLPYSOTB-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Cc1[nH+]cc(Cc2ccc(F)c(F)c2)cc1N ZINC001250088989 979631803 /nfs/dbraw/zinc/63/18/03/979631803.db2.gz IUMKQXSFLPTWAS-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO c1cc2c(cccc2C[N@@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC001236681162 979691884 /nfs/dbraw/zinc/69/18/84/979691884.db2.gz DXZXKEDYKCDXBT-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO c1cc2c(cccc2C[N@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC001236681162 979691888 /nfs/dbraw/zinc/69/18/88/979691888.db2.gz DXZXKEDYKCDXBT-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO Oc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001236701022 979697653 /nfs/dbraw/zinc/69/76/53/979697653.db2.gz AKUSQRWKWMQWGA-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001236701022 979697658 /nfs/dbraw/zinc/69/76/58/979697658.db2.gz AKUSQRWKWMQWGA-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(O)c2)C[C@H]1F ZINC001236704664 979699326 /nfs/dbraw/zinc/69/93/26/979699326.db2.gz XSSXVUNEUYJHAB-BXKDBHETSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2)C[C@H]1F ZINC001236704664 979699331 /nfs/dbraw/zinc/69/93/31/979699331.db2.gz XSSXVUNEUYJHAB-BXKDBHETSA-N 1 2 241.281 2.711 20 0 BFADLO C[N@H+](Cc1ccccc1OC(C)(C)C)C1COC1 ZINC001237031228 979808257 /nfs/dbraw/zinc/80/82/57/979808257.db2.gz KCIMAHUWPCIZOP-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO C[N@@H+](Cc1ccccc1OC(C)(C)C)C1COC1 ZINC001237031228 979808262 /nfs/dbraw/zinc/80/82/62/979808262.db2.gz KCIMAHUWPCIZOP-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCCCOC1C[NH+](CC2OC=CC2=S)C1 ZINC001237179919 979828125 /nfs/dbraw/zinc/82/81/25/979828125.db2.gz TZTHZNJOZYQQTG-UHFFFAOYSA-N 1 2 241.356 2.569 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc(O)cc(F)c2)C[C@H]1F ZINC001237277577 979860277 /nfs/dbraw/zinc/86/02/77/979860277.db2.gz OLKVRJTVASENOU-NOZJJQNGSA-N 1 2 241.281 2.711 20 0 BFADLO C[N@H+](CCF)Cc1ccncc1C(F)(F)F ZINC001237298718 979864300 /nfs/dbraw/zinc/86/43/00/979864300.db2.gz NUFUIGBWCBIBLA-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1ccncc1C(F)(F)F ZINC001237298718 979864304 /nfs/dbraw/zinc/86/43/04/979864304.db2.gz NUFUIGBWCBIBLA-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC001237643589 979992087 /nfs/dbraw/zinc/99/20/87/979992087.db2.gz RYRVRCMRDPLKOO-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC001237643589 979992092 /nfs/dbraw/zinc/99/20/92/979992092.db2.gz RYRVRCMRDPLKOO-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO CC[N@H+](Cc1occc1OC)Cc1cccnc1 ZINC001237865661 980104699 /nfs/dbraw/zinc/10/46/99/980104699.db2.gz ANDCYEFCJPGWMU-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1occc1OC)Cc1cccnc1 ZINC001237865661 980104703 /nfs/dbraw/zinc/10/47/03/980104703.db2.gz ANDCYEFCJPGWMU-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Oc1ccc(-c2nc(C[NH+]3CCC3)cs2)cc1 ZINC001237977685 980119628 /nfs/dbraw/zinc/11/96/28/980119628.db2.gz NLUSPKISZOTDKP-UHFFFAOYSA-N 1 2 246.335 2.721 20 0 BFADLO Fc1cc(Cl)c(C[NH+]2CCC(F)CC2)cn1 ZINC001238018617 980126058 /nfs/dbraw/zinc/12/60/58/980126058.db2.gz UKYJQJOSVCUKKQ-UHFFFAOYSA-N 1 2 246.688 2.808 20 0 BFADLO CCOc1cc(C[NH+]2CC(OCC)C2)ccc1C ZINC001238067561 980135955 /nfs/dbraw/zinc/13/59/55/980135955.db2.gz IVCQSSANLMTNJB-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(OC(F)F)c1 ZINC000722572406 980210192 /nfs/dbraw/zinc/21/01/92/980210192.db2.gz ZVDHRIHKMVZVDF-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238184434 980214249 /nfs/dbraw/zinc/21/42/49/980214249.db2.gz KTDWIGVULAOPJY-AWEZNQCLSA-N 1 2 234.318 2.893 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238184434 980214260 /nfs/dbraw/zinc/21/42/60/980214260.db2.gz KTDWIGVULAOPJY-AWEZNQCLSA-N 1 2 234.318 2.893 20 0 BFADLO CC1(C)C[N@H+](Cc2cncc(C3CC3)c2)CCO1 ZINC001238185873 980217589 /nfs/dbraw/zinc/21/75/89/980217589.db2.gz GPYUESOSXAMEFI-UHFFFAOYSA-N 1 2 246.354 2.570 20 0 BFADLO CC1(C)C[N@@H+](Cc2cncc(C3CC3)c2)CCO1 ZINC001238185873 980217598 /nfs/dbraw/zinc/21/75/98/980217598.db2.gz GPYUESOSXAMEFI-UHFFFAOYSA-N 1 2 246.354 2.570 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)CC(=O)OC(C)C)c1 ZINC001343831767 980251635 /nfs/dbraw/zinc/25/16/35/980251635.db2.gz NHWIEPQHDNGSER-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)CC(=O)OC(C)C)c1 ZINC001343831767 980251641 /nfs/dbraw/zinc/25/16/41/980251641.db2.gz NHWIEPQHDNGSER-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO COC1C[NH+](Cc2cc(OC(C)C)ccc2C)C1 ZINC001238477206 980277035 /nfs/dbraw/zinc/27/70/35/980277035.db2.gz MEYUPLBGCUFCFI-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC001238759764 980318260 /nfs/dbraw/zinc/31/82/60/980318260.db2.gz NUGWJCPDUQRDNE-CYBMUJFWSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC001238759764 980318264 /nfs/dbraw/zinc/31/82/64/980318264.db2.gz NUGWJCPDUQRDNE-CYBMUJFWSA-N 1 2 249.354 2.533 20 0 BFADLO Cc1ncccc1Nc1cccn2cc[nH+]c12 ZINC001205346400 980342741 /nfs/dbraw/zinc/34/27/41/980342741.db2.gz ZZGMPHYUPZXJBS-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CC(C)(COC(=O)C1(C)CC=CC1)n1cc[nH+]c1 ZINC001344111959 980349528 /nfs/dbraw/zinc/34/95/28/980349528.db2.gz UGGXUEOEWVWSOW-UHFFFAOYSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1cc(-c2cnn(C(F)F)c2)cn2cc[nH+]c12 ZINC001238868254 980356105 /nfs/dbraw/zinc/35/61/05/980356105.db2.gz UKXMEDFKEVOQBX-UHFFFAOYSA-N 1 2 248.236 2.901 20 0 BFADLO CC(C)(O)/C=C/c1ccccc1Cn1cc[nH+]c1 ZINC001239155863 980468886 /nfs/dbraw/zinc/46/88/86/980468886.db2.gz MZCIVQYFJSUJDV-BQYQJAHWSA-N 1 2 242.322 2.716 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2c(F)cncc2F)c1 ZINC001203654618 980474872 /nfs/dbraw/zinc/47/48/72/980474872.db2.gz NCSGSHDJBUPTOY-UHFFFAOYSA-N 1 2 235.237 2.537 20 0 BFADLO CSc1nccc(Nc2cc(C)c[nH+]c2C)n1 ZINC001203654308 980476381 /nfs/dbraw/zinc/47/63/81/980476381.db2.gz HAJIPUDEYIFQQL-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nccnc2Cl)c1 ZINC001203655248 980485507 /nfs/dbraw/zinc/48/55/07/980485507.db2.gz ZJQMPIJYRKRDQX-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cnoc2)cc1 ZINC001239188571 980492637 /nfs/dbraw/zinc/49/26/37/980492637.db2.gz LOBKCJFZVPNZQG-UHFFFAOYSA-N 1 2 216.240 2.703 20 0 BFADLO CNc1ccc(-c2ccc3[nH+]ccn3c2)c(F)n1 ZINC001239422164 980570352 /nfs/dbraw/zinc/57/03/52/980570352.db2.gz XXWXZUXCVGFEMZ-UHFFFAOYSA-N 1 2 242.257 2.577 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(C2=CCOC2)c1 ZINC001239490626 980648912 /nfs/dbraw/zinc/64/89/12/980648912.db2.gz UAASNLAAQJCJKD-UHFFFAOYSA-N 1 2 226.279 2.501 20 0 BFADLO COc1cccc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001239522346 980695460 /nfs/dbraw/zinc/69/54/60/980695460.db2.gz GDDHTXUPJSRBAB-UHFFFAOYSA-N 1 2 240.306 2.758 20 0 BFADLO FC(F)(F)c1ccc(CCn2cc[nH+]c2)cn1 ZINC001250315779 980746106 /nfs/dbraw/zinc/74/61/06/980746106.db2.gz QUVKKOQXMSMYSN-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO c1cn(CCc2cccc3cnccc32)c[nH+]1 ZINC001250315062 980754340 /nfs/dbraw/zinc/75/43/40/980754340.db2.gz CSOMBSUUUHGBKH-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO c1cn(CCc2ccc3cnccc3c2)c[nH+]1 ZINC001250319053 980757180 /nfs/dbraw/zinc/75/71/80/980757180.db2.gz PWPMGOABZYGZFI-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO CSc1ccc(CCn2cc[nH+]c2)c(C)n1 ZINC001250320823 980761714 /nfs/dbraw/zinc/76/17/14/980761714.db2.gz QGUIRWISGHSYBC-UHFFFAOYSA-N 1 2 233.340 2.551 20 0 BFADLO CNc1cc(-c2ccc(OC)c(F)c2)cc[nH+]1 ZINC001239580265 980769371 /nfs/dbraw/zinc/76/93/71/980769371.db2.gz BRODUJODFNNMHK-UHFFFAOYSA-N 1 2 232.258 2.938 20 0 BFADLO Cc1cn2cc(-c3ccncc3)ccc2[nH+]1 ZINC001239610604 980807916 /nfs/dbraw/zinc/80/79/16/980807916.db2.gz QXMRMJPZIFBSRL-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CC(=O)c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001239633374 980822063 /nfs/dbraw/zinc/82/20/63/980822063.db2.gz VQJLQZWLWDLDJX-UHFFFAOYSA-N 1 2 237.262 2.779 20 0 BFADLO CC(=O)c1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001239637323 980824832 /nfs/dbraw/zinc/82/48/32/980824832.db2.gz YWPJUPDYQHNJSD-UHFFFAOYSA-N 1 2 226.279 2.842 20 0 BFADLO CCc1cn(Cc2c(F)cccc2F)c[nH+]1 ZINC001190096068 980844911 /nfs/dbraw/zinc/84/49/11/980844911.db2.gz GYWNEMGNNJLFEB-UHFFFAOYSA-N 1 2 222.238 2.772 20 0 BFADLO CCc1cn(Cc2ccccc2CF)c[nH+]1 ZINC001190104070 980846619 /nfs/dbraw/zinc/84/66/19/980846619.db2.gz QDTKQKIZCURXAN-UHFFFAOYSA-N 1 2 218.275 2.963 20 0 BFADLO Cc1cc(N[C@H](C)CCO)[nH+]c2ccccc12 ZINC000077226316 980847728 /nfs/dbraw/zinc/84/77/28/980847728.db2.gz IYUGFZNHCZPUIX-LLVKDONJSA-N 1 2 230.311 2.726 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2[nH]ccc2c1 ZINC001239695313 980854981 /nfs/dbraw/zinc/85/49/81/980854981.db2.gz KTGCMLOACCVNSI-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO c1ccc(NCc2ccc3c(c2)CCO3)[nH+]c1 ZINC000077330273 980863879 /nfs/dbraw/zinc/86/38/79/980863879.db2.gz NSLMYECMNSISHY-UHFFFAOYSA-N 1 2 226.279 2.629 20 0 BFADLO Cc1[nH+]cn(-c2ccc(C3=CCCC3)nn2)c1C ZINC001239787705 980921546 /nfs/dbraw/zinc/92/15/46/980921546.db2.gz NBQRBUNMOJKHCL-UHFFFAOYSA-N 1 2 240.310 2.846 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4c(c3)CCO4)nc2[nH]1 ZINC001239803403 980940699 /nfs/dbraw/zinc/94/06/99/980940699.db2.gz VVMURBSODOEFSU-UHFFFAOYSA-N 1 2 237.262 2.511 20 0 BFADLO COc1ncccc1-c1cc(C)c2[nH+]ccn2c1 ZINC001239858132 980999348 /nfs/dbraw/zinc/99/93/48/980999348.db2.gz GLHTVYUBSAOOAM-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CNc1cc(-c2ccccc2COC)cc[nH+]1 ZINC001239953784 981058756 /nfs/dbraw/zinc/05/87/56/981058756.db2.gz AFLFPLOOQFMZQO-UHFFFAOYSA-N 1 2 228.295 2.937 20 0 BFADLO CNc1cc(-c2ccc3cncnc3c2)cc[nH+]1 ZINC001239994467 981086491 /nfs/dbraw/zinc/08/64/91/981086491.db2.gz BEJWKSKNPJCZDR-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO Cc1nn(C)c(C)c1-c1cc2[nH]ccc2c[nH+]1 ZINC001240139300 981139057 /nfs/dbraw/zinc/13/90/57/981139057.db2.gz FOCGNPHUNOIODH-UHFFFAOYSA-N 1 2 226.283 2.580 20 0 BFADLO Cc1ccc(-c2ccc3n[nH]cc3c2)[nH+]c1N ZINC001240208977 981154704 /nfs/dbraw/zinc/15/47/04/981154704.db2.gz IHGURHBRLJKJGI-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO c1cn2ccc(-c3ccc4n[nH]cc4c3)cc2[nH+]1 ZINC001240210504 981157173 /nfs/dbraw/zinc/15/71/73/981157173.db2.gz SBHYBNRBBFSOBN-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCOc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213905 981160735 /nfs/dbraw/zinc/16/07/35/981160735.db2.gz HKXBBUNBVDBAES-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO c1cn2cc(-c3nccc4cnccc43)ccc2[nH+]1 ZINC001240213282 981160804 /nfs/dbraw/zinc/16/08/04/981160804.db2.gz AMHWYMNZVRKLAJ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cnc(-c2ccc3[nH+]ccn3c2)c(C)c1 ZINC001240214016 981160896 /nfs/dbraw/zinc/16/08/96/981160896.db2.gz JMDRDOILUWDXNT-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCCc1cncnc1-c1ccc2[nH+]ccn2c1 ZINC001240214031 981161717 /nfs/dbraw/zinc/16/17/17/981161717.db2.gz JVSLOLAFYWWGHR-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO CCOc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240214641 981163734 /nfs/dbraw/zinc/16/37/34/981163734.db2.gz OYDKHBYQNFRNIJ-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO COc1cc(C)cc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214791 981164670 /nfs/dbraw/zinc/16/46/70/981164670.db2.gz PYUPJNNNHBBMAK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2ccc(-c3ccc4[nH+]ccn4c3)cc2n1 ZINC001240217562 981165830 /nfs/dbraw/zinc/16/58/30/981165830.db2.gz IFXHZLXSVKESJL-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)cnc1C ZINC001240217485 981166694 /nfs/dbraw/zinc/16/66/94/981166694.db2.gz GKRGHNIVXVIEGZ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1nc(C)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240218198 981166730 /nfs/dbraw/zinc/16/67/30/981166730.db2.gz FUOMHQIPWMBXDN-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)nc1F ZINC001240219188 981170466 /nfs/dbraw/zinc/17/04/66/981170466.db2.gz DSZPCJHPKAXVNF-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Nc1ccc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001240218491 981171161 /nfs/dbraw/zinc/17/11/61/981171161.db2.gz OGOAVPOFGCXJMP-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1cc(F)cc(N2CCCCCC2)[nH+]1 ZINC001347845417 981194067 /nfs/dbraw/zinc/19/40/67/981194067.db2.gz XFGYYQCNHSFKMM-UHFFFAOYSA-N 1 2 208.280 2.910 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001347883379 981205782 /nfs/dbraw/zinc/20/57/82/981205782.db2.gz QKGXXSWVBBPYRY-STQMWFEESA-N 1 2 249.358 2.695 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(-n2cccn2)c1 ZINC001240246973 981225569 /nfs/dbraw/zinc/22/55/69/981225569.db2.gz IZPCLJHQHAEAKH-VNLSLIIWSA-N 1 2 225.295 2.748 20 0 BFADLO COc1cc(-c2cc(C)cn3cc[nH+]c23)ccn1 ZINC001240257065 981231336 /nfs/dbraw/zinc/23/13/36/981231336.db2.gz FRRJLPHQLMSVQS-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)[C@H](C)C2)[nH+]1 ZINC001348020323 981249111 /nfs/dbraw/zinc/24/91/11/981249111.db2.gz JKWQVIFEACFIEG-RKDXNWHRSA-N 1 2 208.280 2.621 20 0 BFADLO Cc1cn2cc(NC(=O)OC(C)C)ccc2[nH+]1 ZINC001193457912 981356351 /nfs/dbraw/zinc/35/63/51/981356351.db2.gz JODRZNDOFXPFOU-UHFFFAOYSA-N 1 2 233.271 2.600 20 0 BFADLO CC(C)(O)c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001240407183 981359527 /nfs/dbraw/zinc/35/95/27/981359527.db2.gz IETIUGVUXNLTSV-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO Cc1nocc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC001348538412 981386549 /nfs/dbraw/zinc/38/65/49/981386549.db2.gz VVZDHHOIMAIHBA-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)c(C)nn2C ZINC001240457813 981391391 /nfs/dbraw/zinc/39/13/91/981391391.db2.gz AYARBCVVKOFPJR-DXNUHORPSA-N 1 2 227.311 2.757 20 0 BFADLO CCn1cc(Nc2[nH+]c3ccccc3n2C)cn1 ZINC000079044399 981391977 /nfs/dbraw/zinc/39/19/77/981391977.db2.gz ALMRNQSJUDKSPY-UHFFFAOYSA-N 1 2 241.298 2.533 20 0 BFADLO Cc1cc2cc(-c3cc[nH+]c(N)c3)cnc2[nH]1 ZINC001240482998 981410323 /nfs/dbraw/zinc/41/03/23/981410323.db2.gz GTPSYFOVXFZGFV-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO c1cn2ccc(-c3ncnc4ccoc43)cc2[nH+]1 ZINC001240496068 981415263 /nfs/dbraw/zinc/41/52/63/981415263.db2.gz GACRNIKMSWZADN-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO CCc1cc(-c2ccn3cc[nH+]c3c2)nc(C)n1 ZINC001240496839 981418015 /nfs/dbraw/zinc/41/80/15/981418015.db2.gz JKHNZVHFYREGLK-UHFFFAOYSA-N 1 2 238.294 2.662 20 0 BFADLO CCOc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240497085 981418082 /nfs/dbraw/zinc/41/80/82/981418082.db2.gz YAHFXQSONFWBAI-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO CCc1nc(C)cc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240504451 981430449 /nfs/dbraw/zinc/43/04/49/981430449.db2.gz PELXDLJHHXEXQK-UHFFFAOYSA-N 1 2 238.294 2.662 20 0 BFADLO c1cn2ccc(-c3cc(C4CC4)ncn3)cc2[nH+]1 ZINC001240503862 981430579 /nfs/dbraw/zinc/43/05/79/981430579.db2.gz HHVFXJRKSAQMIK-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO COc1cnc(-c2ccn3cc[nH+]c3c2)cc1C ZINC001240503182 981430863 /nfs/dbraw/zinc/43/08/63/981430863.db2.gz JIEHMCVEYCHUJI-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CSc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240504630 981431332 /nfs/dbraw/zinc/43/13/32/981431332.db2.gz TXOIIJLVBYTORJ-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Cc1ccc(N)cc1-c1ccn2cc[nH+]c2c1 ZINC001240502974 981431537 /nfs/dbraw/zinc/43/15/37/981431537.db2.gz CPSGLDADIHDDCC-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CC(C)n1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240502946 981431610 /nfs/dbraw/zinc/43/16/10/981431610.db2.gz BLHWQVMIARFAST-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO CCCc1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240504529 981431677 /nfs/dbraw/zinc/43/16/77/981431677.db2.gz QTLZOUGFHGGOFG-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO CSc1cncc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240504695 981431891 /nfs/dbraw/zinc/43/18/91/981431891.db2.gz VNRWWVOUMYUTDU-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Fc1cnc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240508847 981434019 /nfs/dbraw/zinc/43/40/19/981434019.db2.gz MHMWJNRBIHREMY-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO Cc1c(F)nccc1-c1ccn2cc[nH+]c2c1 ZINC001240511024 981435619 /nfs/dbraw/zinc/43/56/19/981435619.db2.gz YXPLNNUVSWULBE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510702 981436751 /nfs/dbraw/zinc/43/67/51/981436751.db2.gz PHKQRANJCMKZKY-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cc1nc2[nH]cnc2cc1-c1ccn2cc[nH+]c2c1 ZINC001240510750 981437495 /nfs/dbraw/zinc/43/74/95/981437495.db2.gz QYCJMUWMVSATQX-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cn2ccc(-c3cncc4ncoc43)cc2[nH+]1 ZINC001240512559 981438278 /nfs/dbraw/zinc/43/82/78/981438278.db2.gz VQPOISHNEVXMNN-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO CCc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240513672 981438759 /nfs/dbraw/zinc/43/87/59/981438759.db2.gz YXCPEDRVMOCTKU-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)OC(F)(F)O2 ZINC001240568122 981483598 /nfs/dbraw/zinc/48/35/98/981483598.db2.gz VHKCNQIFGKFVTM-YALUOGEHSA-N 1 2 239.221 2.884 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3ccncc3C2)c1 ZINC001203787205 981533527 /nfs/dbraw/zinc/53/35/27/981533527.db2.gz VGNFKKYTHPESGF-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3ccncc3C2)c1 ZINC001203787205 981533532 /nfs/dbraw/zinc/53/35/32/981533532.db2.gz VGNFKKYTHPESGF-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO c1cn2c(cccc2-c2cnc(C3CC3)nc2)[nH+]1 ZINC001240686399 981590050 /nfs/dbraw/zinc/59/00/50/981590050.db2.gz MTRLQDCRTRWTFB-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO c1nsnc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001349761110 981705003 /nfs/dbraw/zinc/70/50/03/981705003.db2.gz UVCCNIZVRFYHEX-QWRGUYRKSA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001349761110 981705034 /nfs/dbraw/zinc/70/50/34/981705034.db2.gz UVCCNIZVRFYHEX-QWRGUYRKSA-N 1 2 237.372 2.550 20 0 BFADLO c1cc2c(cccc2-c2cc[nH+]c3c2CCN3)[nH]1 ZINC001240714291 981710077 /nfs/dbraw/zinc/71/00/77/981710077.db2.gz QYLDFGWRQCMBSI-UHFFFAOYSA-N 1 2 235.290 2.841 20 0 BFADLO Cc1cc(-c2cnc3c(ccn3C)c2)c[nH+]c1N ZINC001240841784 981881073 /nfs/dbraw/zinc/88/10/73/981881073.db2.gz YOKJNHYXWCCUMU-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CC[C@@H](C)COC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001194773301 981898404 /nfs/dbraw/zinc/89/84/04/981898404.db2.gz VMGKGYZHUBXBAO-SNVBAGLBSA-N 1 2 247.298 2.929 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CC12CCCC2 ZINC001350335213 981932161 /nfs/dbraw/zinc/93/21/61/981932161.db2.gz TVDQLZDYAYMUFN-LBPRGKRZSA-N 1 2 248.326 2.527 20 0 BFADLO CC(C)CCOC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001194851715 981933210 /nfs/dbraw/zinc/93/32/10/981933210.db2.gz RULSSRYNYJKJEA-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO CN(C)c1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001240910131 981960096 /nfs/dbraw/zinc/96/00/96/981960096.db2.gz DYNIOEDXGRBZGG-UHFFFAOYSA-N 1 2 238.294 2.643 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccc(C)c(N)c3)nc2[nH]1 ZINC001240958567 982028207 /nfs/dbraw/zinc/02/82/07/982028207.db2.gz IRYIXNVDWYPHJL-UHFFFAOYSA-N 1 2 238.294 2.776 20 0 BFADLO CNc1cc(-c2cnc3[nH]cc(C)c3c2)cc[nH+]1 ZINC001240963135 982039851 /nfs/dbraw/zinc/03/98/51/982039851.db2.gz JDHOWJCXQAMAPN-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO COc1cc(F)cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001241027035 982121872 /nfs/dbraw/zinc/12/18/72/982121872.db2.gz HTTHQQFKZNUHGO-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO CSc1ncc(-c2cc[nH+]c(N)c2)cc1C ZINC001241163342 982303571 /nfs/dbraw/zinc/30/35/71/982303571.db2.gz LWFODYOTIXDPJF-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Nc1cc(-c2ccnc(C(F)F)c2)cc[nH+]1 ZINC001241162796 982304196 /nfs/dbraw/zinc/30/41/96/982304196.db2.gz MICAEUZKWUUXFE-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO CCCOc1ncc(-c2cc[nH+]c(N)c2)cc1C ZINC001241169631 982310115 /nfs/dbraw/zinc/31/01/15/982310115.db2.gz IZTLMPPQIZMANE-UHFFFAOYSA-N 1 2 243.310 2.823 20 0 BFADLO Cc1c(F)c(F)ccc1-c1cc[nH+]c(N)c1 ZINC001241169997 982314878 /nfs/dbraw/zinc/31/48/78/982314878.db2.gz BUQBQHAPMMQFOF-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Nc1cc(-c2cncc(-c3ccncc3)c2)cc[nH+]1 ZINC001241170725 982316844 /nfs/dbraw/zinc/31/68/44/982316844.db2.gz PZPVXNNIUIUOAD-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Cc1nc2ccc(-c3cc[nH+]c(N)c3)cc2o1 ZINC001241170727 982319312 /nfs/dbraw/zinc/31/93/12/982319312.db2.gz PZZGAROIWXPVJX-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CNc1cc(-c2ccc3c(c2)OCC3)cc[nH+]1 ZINC001241224814 982366913 /nfs/dbraw/zinc/36/69/13/982366913.db2.gz PYARYGOKSJHHII-UHFFFAOYSA-N 1 2 226.279 2.725 20 0 BFADLO Fc1cnccc1-c1ccn2cc[nH+]c2c1 ZINC001241225380 982367031 /nfs/dbraw/zinc/36/70/31/982367031.db2.gz LCJVPTRLRCNTBI-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(Cl)c(F)c1 ZINC001241231436 982383454 /nfs/dbraw/zinc/38/34/54/982383454.db2.gz UUZUEFZTPNOUKK-UHFFFAOYSA-N 1 2 210.639 2.880 20 0 BFADLO CCOc1ccc(OC)cc1/C(C)=C/C=C/[NH3+] ZINC001241239328 982385961 /nfs/dbraw/zinc/38/59/61/982385961.db2.gz NHWAUCKJRAJATM-MPEOSAONSA-N 1 2 233.311 2.970 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cnccc1F ZINC001241242946 982386503 /nfs/dbraw/zinc/38/65/03/982386503.db2.gz MDQGVZWFVHDHDD-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)cc(F)n1 ZINC001241248810 982388897 /nfs/dbraw/zinc/38/88/97/982388897.db2.gz WBLXHCJSTIICNU-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)ccc(O)c1F ZINC001241293403 982436119 /nfs/dbraw/zinc/43/61/19/982436119.db2.gz VSMZJLWSEUDSSU-YPCIICBESA-N 1 2 211.211 2.546 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1c(F)ccc(O)c1F ZINC001241294451 982437235 /nfs/dbraw/zinc/43/72/35/982437235.db2.gz XCSRAHNTJHNHAP-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cc(C)cnc1OC ZINC001241363620 982520928 /nfs/dbraw/zinc/52/09/28/982520928.db2.gz DRMHCXKZXZLFKL-UHFFFAOYSA-N 1 2 244.294 2.778 20 0 BFADLO CCc1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001241375115 982537465 /nfs/dbraw/zinc/53/74/65/982537465.db2.gz LROABXBBHJSQBY-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(N2CCCC2)nc1 ZINC001241376553 982539023 /nfs/dbraw/zinc/53/90/23/982539023.db2.gz YOATVTNJMLPDAD-FWSLBAKWSA-N 1 2 229.327 2.558 20 0 BFADLO Cc1cn2c(cccc2-c2cnc3n[nH]cc3c2)[nH+]1 ZINC001241424730 982576327 /nfs/dbraw/zinc/57/63/27/982576327.db2.gz YRFOVADSNRIYPY-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1c(-c2cnc3n[nH]cc3c2)ccc2[nH+]ccn21 ZINC001241426830 982580180 /nfs/dbraw/zinc/58/01/80/982580180.db2.gz GNPAPQIXPOFYKU-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cn1ncc2cc(-c3ccc4[nH+]ccn4c3)ccc21 ZINC001241439325 982591620 /nfs/dbraw/zinc/59/16/20/982591620.db2.gz YUBOVPSUHBJKGE-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1cc(-c2cccc3cnn(C)c32)c[nH+]c1N ZINC001241457764 982612518 /nfs/dbraw/zinc/61/25/18/982612518.db2.gz ZUOPSQZJFATJGO-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CN(CCC(F)(F)F)c1cc[nH+]cc1F ZINC001353010534 982665894 /nfs/dbraw/zinc/66/58/94/982665894.db2.gz HIKGBTDJHTWZJQ-UHFFFAOYSA-N 1 2 222.185 2.609 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccc(N)cc1 ZINC001241542636 982737383 /nfs/dbraw/zinc/73/73/83/982737383.db2.gz QFLDQOFVIOGRPO-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO C[N@@H+]1CCC=C(c2cc(F)cc(F)c2F)C1 ZINC001241570260 982820340 /nfs/dbraw/zinc/82/03/40/982820340.db2.gz ZXTLIAPBQVWTIH-UHFFFAOYSA-N 1 2 227.229 2.823 20 0 BFADLO C[N@H+]1CCC=C(c2cc(F)cc(F)c2F)C1 ZINC001241570260 982820342 /nfs/dbraw/zinc/82/03/42/982820342.db2.gz ZXTLIAPBQVWTIH-UHFFFAOYSA-N 1 2 227.229 2.823 20 0 BFADLO Cn1cc2ccc(-c3ccn4cc[nH+]c4c3)cc2n1 ZINC001241599470 982840096 /nfs/dbraw/zinc/84/00/96/982840096.db2.gz HWRAOWHTFKSOPC-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO c1cn2c(cccc2-c2cccc3c[nH]nc32)[nH+]1 ZINC001241623346 982858781 /nfs/dbraw/zinc/85/87/81/982858781.db2.gz UGGAWDYCVFXIEK-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1n[nH]c2cc(-c3ccc[nH+]c3N)ccc12 ZINC001241638469 982877937 /nfs/dbraw/zinc/87/79/37/982877937.db2.gz QVOCGOYSYNNMGI-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COc1ccc(C)c(/C(C)=C/C=C/[NH3+])c1 ZINC001241673930 982909633 /nfs/dbraw/zinc/90/96/33/982909633.db2.gz RTXWRQFYCSYBME-DXNUHORPSA-N 1 2 203.285 2.879 20 0 BFADLO Cc1n[nH]c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241668366 982912541 /nfs/dbraw/zinc/91/25/41/982912541.db2.gz MJLVYXDMGJPPBV-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCCn1nc(C)cc1-c1cccc2[nH+]ccn21 ZINC001241763767 983037525 /nfs/dbraw/zinc/03/75/25/983037525.db2.gz LUMYARBTIJJHJJ-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Nc1cccc(-c2ccc3c(c2)CCCN3)[nH+]1 ZINC001241833043 983078938 /nfs/dbraw/zinc/07/89/38/983078938.db2.gz YTCSWADMIJPVNS-UHFFFAOYSA-N 1 2 225.295 2.689 20 0 BFADLO Cc1cc(-c2cccc(N)[nH+]2)cc(C)c1N ZINC001241883013 983091647 /nfs/dbraw/zinc/09/16/47/983091647.db2.gz ULHJACWLTSPWFG-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO c1cn2ccc(-c3cnn(C4CC4)c3)cc2[nH+]1 ZINC001241906444 983118786 /nfs/dbraw/zinc/11/87/86/983118786.db2.gz LIDYPEVLELDFAF-UHFFFAOYSA-N 1 2 224.267 2.533 20 0 BFADLO Nc1ccc(Nc2cnc(C3CC3)s2)c[nH+]1 ZINC001201280157 983156947 /nfs/dbraw/zinc/15/69/47/983156947.db2.gz YWUYDIDQSJJILT-UHFFFAOYSA-N 1 2 232.312 2.741 20 0 BFADLO Nc1ccc(Nc2ccc(O)c(Cl)c2)c[nH+]1 ZINC001201286091 983164409 /nfs/dbraw/zinc/16/44/09/983164409.db2.gz VYDUZZZRLYRFAG-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO Nc1ccc(Nc2cc(CO)ccc2Cl)c[nH+]1 ZINC001201291987 983168839 /nfs/dbraw/zinc/16/88/39/983168839.db2.gz RXWNKIRPLLKYNO-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cn1ccc2ccc(Nc3ccc(N)[nH+]c3)cc21 ZINC001201291670 983169541 /nfs/dbraw/zinc/16/95/41/983169541.db2.gz MJQISFNZUVALNS-UHFFFAOYSA-N 1 2 238.294 2.899 20 0 BFADLO Nc1ccc(Nc2cc(Cl)ccc2CO)c[nH+]1 ZINC001201291463 983170358 /nfs/dbraw/zinc/17/03/58/983170358.db2.gz IHCHHIXFNSKFDO-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)c(C)cc1N ZINC001201293241 983176678 /nfs/dbraw/zinc/17/66/78/983176678.db2.gz YTJFWMSBQAEPAS-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO Nc1ccc(Nc2cc(Cl)ncc2F)c[nH+]1 ZINC001201275720 983177403 /nfs/dbraw/zinc/17/74/03/983177403.db2.gz JWRDAZPIAVYFLG-UHFFFAOYSA-N 1 2 238.653 2.595 20 0 BFADLO CC(=O)c1sccc1Nc1ccc(N)[nH+]c1 ZINC001201278733 983178326 /nfs/dbraw/zinc/17/83/26/983178326.db2.gz MALNNPWCPXZBJQ-UHFFFAOYSA-N 1 2 233.296 2.672 20 0 BFADLO CC(=O)c1cccc(Nc2ccc(N)[nH+]c2)c1C ZINC001201295384 983182713 /nfs/dbraw/zinc/18/27/13/983182713.db2.gz QOIORHMVAXFYPE-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO Cc1cc[nH+]c(NC2=CCSCC2)c1 ZINC001201327213 983186669 /nfs/dbraw/zinc/18/66/69/983186669.db2.gz QDZMPLRPEGPJCC-UHFFFAOYSA-N 1 2 206.314 2.823 20 0 BFADLO Cc1cccc(NC2=CCSCC2)[nH+]1 ZINC001201327209 983187092 /nfs/dbraw/zinc/18/70/92/983187092.db2.gz QBLYUPWIAYSEDQ-UHFFFAOYSA-N 1 2 206.314 2.823 20 0 BFADLO Cc1cc(-c2cnc3[nH]cnc3c2C)cc(C)[nH+]1 ZINC001241992798 983188287 /nfs/dbraw/zinc/18/82/87/983188287.db2.gz RNMLARGIPBJLLD-UHFFFAOYSA-N 1 2 238.294 2.945 20 0 BFADLO CN(C)c1ccc(NC2=CCSCC2)c[nH+]1 ZINC001201327323 983188310 /nfs/dbraw/zinc/18/83/10/983188310.db2.gz SNJXPCYLJHHAMZ-UHFFFAOYSA-N 1 2 235.356 2.580 20 0 BFADLO COc1cc(NC2=CCSCC2)c(C)c[nH+]1 ZINC001201334317 983193103 /nfs/dbraw/zinc/19/31/03/983193103.db2.gz SDWPALGXYZXKIK-UHFFFAOYSA-N 1 2 236.340 2.831 20 0 BFADLO CCc1ccc(N2CC[C@]3(CC3(F)F)C2)[nH+]c1 ZINC001354227628 983207951 /nfs/dbraw/zinc/20/79/51/983207951.db2.gz RJZHHCUWRPBFDS-LBPRGKRZSA-N 1 2 238.281 2.880 20 0 BFADLO COC(=O)C(C)(C)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242015708 983213773 /nfs/dbraw/zinc/21/37/73/983213773.db2.gz MBGCKMBMELQQRB-UHFFFAOYSA-N 1 2 244.294 2.527 20 0 BFADLO CCOC(=O)/C=C/c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242017073 983219188 /nfs/dbraw/zinc/21/91/88/983219188.db2.gz ALSRYHPYMXBQOC-VMPITWQZSA-N 1 2 242.278 2.653 20 0 BFADLO CCOCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018383 983221926 /nfs/dbraw/zinc/22/19/26/983221926.db2.gz FWVLJRSIIRNOMW-UHFFFAOYSA-N 1 2 202.257 2.613 20 0 BFADLO COc1ccncc1-c1[nH+]ccc2[nH]ccc21 ZINC001242053759 983257399 /nfs/dbraw/zinc/25/73/99/983257399.db2.gz JAKTWJMOTMKEGP-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2c[nH]ccc2=O)cc1 ZINC001201498266 983261158 /nfs/dbraw/zinc/26/11/58/983261158.db2.gz UNRGGAYLPJSSFZ-UHFFFAOYSA-N 1 2 243.310 2.939 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncc2ccsc2n1 ZINC001242070876 983303928 /nfs/dbraw/zinc/30/39/28/983303928.db2.gz NRRQBXIZRBHZQS-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1cc2ccnc(-c3c[nH+]c(N)cc3C)c2[nH]1 ZINC001242072602 983311627 /nfs/dbraw/zinc/31/16/27/983311627.db2.gz NVWLPXSPMWUULM-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO c1cn(Cc2ccccc2C2=CCOCC2)c[nH+]1 ZINC001242076890 983321984 /nfs/dbraw/zinc/32/19/84/983321984.db2.gz GMIYDHDCZOACBP-UHFFFAOYSA-N 1 2 240.306 2.735 20 0 BFADLO Cc1noc(C)c1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001242106137 983350668 /nfs/dbraw/zinc/35/06/68/983350668.db2.gz AIBMYTCTQXGOHK-UHFFFAOYSA-N 1 2 240.266 2.539 20 0 BFADLO Cc1cn2c(cccc2-c2c(C)noc2C)[nH+]1 ZINC001242106548 983350709 /nfs/dbraw/zinc/35/07/09/983350709.db2.gz VFHKDFKZTGKNSE-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO Nc1cccc(/C=C/Cc2ccccc2)[nH+]1 ZINC001242138098 983368462 /nfs/dbraw/zinc/36/84/62/983368462.db2.gz OPVYQRIBLXDUGH-RUDMXATFSA-N 1 2 210.280 2.920 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CCC3=O)c[nH+]c1N ZINC001242155912 983384875 /nfs/dbraw/zinc/38/48/75/983384875.db2.gz ITNWDOKZOKHBBZ-UHFFFAOYSA-N 1 2 238.290 2.768 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)C1CCCC1 ZINC001355033891 983397484 /nfs/dbraw/zinc/39/74/84/983397484.db2.gz BDXAUFGENMTKIR-GFCCVEGCSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)C1CCCC1 ZINC001355033894 983398944 /nfs/dbraw/zinc/39/89/44/983398944.db2.gz BDXAUFGENMTKIR-LBPRGKRZSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C1CCCCC1 ZINC001355037798 983399774 /nfs/dbraw/zinc/39/97/74/983399774.db2.gz ZXPLROKZYZCXQE-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO CCCN1CC[C@H]([NH+]2CCCCC2)C(F)(F)C1 ZINC001201652487 983403874 /nfs/dbraw/zinc/40/38/74/983403874.db2.gz NVCYBAMOBURWKD-LBPRGKRZSA-N 1 2 246.345 2.592 20 0 BFADLO Cc1cc(-c2cncc(C3CC3)c2)c[nH+]c1N ZINC001242198178 983406282 /nfs/dbraw/zinc/40/62/82/983406282.db2.gz KKNDRRCSXYILIE-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO COc1ccc(C(C)=O)cc1C(C)=CC=C[NH3+] ZINC001242269100 983489020 /nfs/dbraw/zinc/48/90/20/983489020.db2.gz XEZBENGFNBTCOG-DXNUHORPSA-N 1 2 231.295 2.774 20 0 BFADLO Cc1cc2n[nH]cc2cc1-c1cc[nH+]c(N)c1 ZINC001242283611 983509404 /nfs/dbraw/zinc/50/94/04/983509404.db2.gz TYYJVGJHMNCSLD-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2cccc(C)c2)n1C ZINC001202306419 983618170 /nfs/dbraw/zinc/61/81/70/983618170.db2.gz NVCKSRCDWVGJJL-UHFFFAOYSA-N 1 2 244.298 2.681 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](CCC(F)(F)F)C2 ZINC001202346896 983629528 /nfs/dbraw/zinc/62/95/28/983629528.db2.gz UEYUXTVCMXMQLX-UHFFFAOYSA-N 1 2 245.244 2.963 20 0 BFADLO COc1ccc2c(c1)C[N@H+](CCC(F)(F)F)C2 ZINC001202346896 983629540 /nfs/dbraw/zinc/62/95/40/983629540.db2.gz UEYUXTVCMXMQLX-UHFFFAOYSA-N 1 2 245.244 2.963 20 0 BFADLO CNc1cc(-c2ccc(C)c(CO)c2)cc[nH+]1 ZINC001242386000 983678037 /nfs/dbraw/zinc/67/80/37/983678037.db2.gz UCIBZRMLUKZTOX-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO CC(=O)c1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001242400283 983680506 /nfs/dbraw/zinc/68/05/06/983680506.db2.gz HBHYFVKLVNZAEE-UHFFFAOYSA-N 1 2 237.262 2.599 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4ncncc4c3)nc2[nH]1 ZINC001242509915 983833836 /nfs/dbraw/zinc/83/38/36/983833836.db2.gz CGBYLOHLSVIAQP-UHFFFAOYSA-N 1 2 247.261 2.520 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2ncncc2c1 ZINC001242513414 983834393 /nfs/dbraw/zinc/83/43/93/983834393.db2.gz VKXVOWJAHXJNCO-ZRSOPRJESA-N 1 2 211.268 2.506 20 0 BFADLO CCc1cn(C[C@@H]2CCC3(CCC3)CO2)c[nH+]1 ZINC001559466468 983923334 /nfs/dbraw/zinc/92/33/34/983923334.db2.gz VOEQMTIAZLQSJK-ZDUSSCGKSA-N 1 2 234.343 2.795 20 0 BFADLO Cc1cn2c(cccc2-c2c[nH]c(=O)c(F)c2)[nH+]1 ZINC001242614979 983992892 /nfs/dbraw/zinc/99/28/92/983992892.db2.gz SOHGEHPIABAELB-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO Nc1[nH+]cccc1-c1cnc2sccc2c1 ZINC001242681673 984049252 /nfs/dbraw/zinc/04/92/52/984049252.db2.gz MXLJOUFDMOUGRO-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO CCc1cc(OC)ccc1-c1c[nH+]cn1C ZINC001242698727 984050370 /nfs/dbraw/zinc/05/03/70/984050370.db2.gz ZHXCGGGRERWMGO-UHFFFAOYSA-N 1 2 216.284 2.658 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(O)ccc1F ZINC001242762406 984130262 /nfs/dbraw/zinc/13/02/62/984130262.db2.gz CDDMNUZMMMVCRJ-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1ccc2cc(C)ccc2n1 ZINC001137210731 984173738 /nfs/dbraw/zinc/17/37/38/984173738.db2.gz DFSGYFWKAQTFFE-UHFFFAOYSA-N 1 2 242.322 2.564 20 0 BFADLO CC(=O)C[N@H+](C)Cc1ccc2cc(C)ccc2n1 ZINC001137210731 984173742 /nfs/dbraw/zinc/17/37/42/984173742.db2.gz DFSGYFWKAQTFFE-UHFFFAOYSA-N 1 2 242.322 2.564 20 0 BFADLO Nc1c(F)cc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001242838850 984183571 /nfs/dbraw/zinc/18/35/71/984183571.db2.gz KWBOWJGRZDKYNY-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO CCCn1nccc1-c1ccc2[nH+]ccn2c1 ZINC001242845215 984195324 /nfs/dbraw/zinc/19/53/24/984195324.db2.gz RIJBWVFKWJGBGB-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)C(=O)CCC2 ZINC001242857550 984200006 /nfs/dbraw/zinc/20/00/06/984200006.db2.gz YALBJXPRGRTJOA-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO Cc1ccc2c(cccc2-c2c[nH+]cn2C)n1 ZINC001243066967 984477006 /nfs/dbraw/zinc/47/70/06/984477006.db2.gz DXFBJELSYHHORX-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc2cc(F)ccc21 ZINC001243066878 984480008 /nfs/dbraw/zinc/48/00/08/984480008.db2.gz CLLWTGVSAHUNLF-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OCC2CCC2)nc1 ZINC001243068065 984482015 /nfs/dbraw/zinc/48/20/15/984482015.db2.gz UXDMVDDMOFDWQJ-UHFFFAOYSA-N 1 2 243.310 2.661 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)cc2[nH]ccc21 ZINC001243068064 984484836 /nfs/dbraw/zinc/48/48/36/984484836.db2.gz UXCGPLFTGWWJKK-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2cccnc2)nc1 ZINC001243069084 984487115 /nfs/dbraw/zinc/48/71/15/984487115.db2.gz OXPJUHUAOLTOLR-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)c2[nH]ccc21 ZINC001243068516 984487600 /nfs/dbraw/zinc/48/76/00/984487600.db2.gz BLHBFSCQHCHPGN-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO Cc1ccc2ncc(-c3c[nH+]cn3C)cc2c1 ZINC001243069440 984488782 /nfs/dbraw/zinc/48/87/82/984488782.db2.gz GMHLBRRXGDSWFQ-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)c(C)c1C ZINC001243069697 984491757 /nfs/dbraw/zinc/49/17/57/984491757.db2.gz WKERJDXOJUFCDT-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(OC(F)F)c1 ZINC001243069880 984494110 /nfs/dbraw/zinc/49/41/10/984494110.db2.gz ZSWYZRWKEDTDHY-UHFFFAOYSA-N 1 2 224.210 2.689 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)OC(C)(C)O2 ZINC001243070514 984494390 /nfs/dbraw/zinc/49/43/90/984494390.db2.gz GUKBMUSWZFRVDO-UHFFFAOYSA-N 1 2 230.267 2.594 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cnc1C(F)(F)F ZINC001243071686 984496697 /nfs/dbraw/zinc/49/66/97/984496697.db2.gz XXDYXDHEJZSCNB-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)cc(C)c1F ZINC001243070980 984497670 /nfs/dbraw/zinc/49/76/70/984497670.db2.gz DNZZUMJOAPTXMO-UHFFFAOYSA-N 1 2 220.247 2.543 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc2c(F)cccc12 ZINC001243071700 984499586 /nfs/dbraw/zinc/49/95/86/984499586.db2.gz YGRVDCQVKHRLMM-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1cnc2cc(-c3c[nH+]cn3C)ccc2c1 ZINC001243072499 984502773 /nfs/dbraw/zinc/50/27/73/984502773.db2.gz QCZSCXQOPFZCAZ-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO COc1cnccc1-c1ccc2[nH+]ccn2c1C ZINC001243075172 984511662 /nfs/dbraw/zinc/51/16/62/984511662.db2.gz KGGSBBFROLSQIV-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(-c2ccnc3ncccc32)c[nH+]c1N ZINC000718921036 984566495 /nfs/dbraw/zinc/56/64/95/984566495.db2.gz KVSLNSJATTXGBQ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CCOc1ccc(/C(C)=C/C=C/[NH3+])c(OCC)n1 ZINC001243154530 984610676 /nfs/dbraw/zinc/61/06/76/984610676.db2.gz VWYIQZBHZJUCQS-JMQWPVDRSA-N 1 2 248.326 2.755 20 0 BFADLO COCOc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001243209129 984695353 /nfs/dbraw/zinc/69/53/53/984695353.db2.gz OOTBELKDRGLVQE-FSCUZGFYSA-N 1 2 219.284 2.545 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccc(C)c(O)c3)nc2[nH]1 ZINC001243228360 984750832 /nfs/dbraw/zinc/75/08/32/984750832.db2.gz ZUXVADLYVQAOBQ-UHFFFAOYSA-N 1 2 239.278 2.899 20 0 BFADLO Cc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1O ZINC001243229169 984757281 /nfs/dbraw/zinc/75/72/81/984757281.db2.gz ZGWCDPJFIRAHOP-UHFFFAOYSA-N 1 2 225.251 2.591 20 0 BFADLO COc1cc(C)cc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001243246308 984796394 /nfs/dbraw/zinc/79/63/94/984796394.db2.gz YDMYNUGFBKYBJR-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Nc1ccc(F)c(-c2[nH+]ccc3[nH]ccc32)c1 ZINC001243282049 984808649 /nfs/dbraw/zinc/80/86/49/984808649.db2.gz HCJJWPBTVHSDEF-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CSc1cc(C)c(-c2ccc[nH+]c2N)cn1 ZINC001243476528 984980302 /nfs/dbraw/zinc/98/03/02/984980302.db2.gz FCOUYVRPJXRIAE-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)cnc1OC(C)C ZINC001243473951 985024654 /nfs/dbraw/zinc/02/46/54/985024654.db2.gz QBEYBUOGCDZPNJ-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO COC(OC)c1ccccc1-c1ccc[nH+]c1N ZINC001243474886 985030264 /nfs/dbraw/zinc/03/02/64/985030264.db2.gz TWPODEXMBOCHLX-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Cc1cc(OC(C)C)ncc1-c1ccc[nH+]c1N ZINC001243476320 985031409 /nfs/dbraw/zinc/03/14/09/985031409.db2.gz BFQKGSSCTOXFEM-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CCOC(=O)c1ccccc1-c1ccc[nH+]c1N ZINC001243475483 985032288 /nfs/dbraw/zinc/03/22/88/985032288.db2.gz JOWODWZTBGYESK-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO COCc1ccc(-c2ccc[nH+]c2N)c(F)c1 ZINC001243476428 985032934 /nfs/dbraw/zinc/03/29/34/985032934.db2.gz AWOWOMRPVBXQDL-UHFFFAOYSA-N 1 2 232.258 2.616 20 0 BFADLO CC[C@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001257449007 985047269 /nfs/dbraw/zinc/04/72/69/985047269.db2.gz YVEQOSVALZSMAR-RYUDHWBXSA-N 1 2 246.345 2.590 20 0 BFADLO CC/C(C)=C\C(=O)Nc1cccc2[nH+]ccn21 ZINC001456367742 985140317 /nfs/dbraw/zinc/14/03/17/985140317.db2.gz BNMDEAOZOYMYQT-KTKRTIGZSA-N 1 2 229.283 2.629 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001257508538 985141158 /nfs/dbraw/zinc/14/11/58/985141158.db2.gz HYKQQVRRKHJFME-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001257508538 985141170 /nfs/dbraw/zinc/14/11/70/985141170.db2.gz HYKQQVRRKHJFME-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001257514109 985143182 /nfs/dbraw/zinc/14/31/82/985143182.db2.gz AZGBUFCOYVRKGL-LLVKDONJSA-N 1 2 221.348 2.705 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001257514109 985143189 /nfs/dbraw/zinc/14/31/89/985143189.db2.gz AZGBUFCOYVRKGL-LLVKDONJSA-N 1 2 221.348 2.705 20 0 BFADLO CC(C)OC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000042643885 985224157 /nfs/dbraw/zinc/22/41/57/985224157.db2.gz PVYUBVUUBISEIP-CQSZACIVSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000042643885 985224175 /nfs/dbraw/zinc/22/41/75/985224175.db2.gz PVYUBVUUBISEIP-CQSZACIVSA-N 1 2 247.338 2.557 20 0 BFADLO Cc1cc(CO)cc(-c2cccn3cc[nH+]c23)c1 ZINC001243698561 985230152 /nfs/dbraw/zinc/23/01/52/985230152.db2.gz XCOHYQUSAOAEKV-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(N[C@@H]2CCc3ccccc32)nc[nH+]1 ZINC000687248843 985275854 /nfs/dbraw/zinc/27/58/54/985275854.db2.gz FBSAXDQDKOHGIM-GFCCVEGCSA-N 1 2 240.310 2.618 20 0 BFADLO CNc1cc(N[C@@H]2CCc3ccccc32)[nH+]cn1 ZINC000687248843 985275869 /nfs/dbraw/zinc/27/58/69/985275869.db2.gz FBSAXDQDKOHGIM-GFCCVEGCSA-N 1 2 240.310 2.618 20 0 BFADLO Cc1nc(NCc2cccc(F)c2F)cc[nH+]1 ZINC001458516404 985321262 /nfs/dbraw/zinc/32/12/62/985321262.db2.gz OTBLCTLMLGBJBW-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO CCc1cc(N2C[C@@H]3CCC[C@@H]3C2)nc(CC)[nH+]1 ZINC001458708190 985347896 /nfs/dbraw/zinc/34/78/96/985347896.db2.gz WMGQYEKQOMANOT-TXEJJXNPSA-N 1 2 245.370 2.838 20 0 BFADLO CO[C@H]1CC=C(c2cccn3cc[nH+]c23)CC1 ZINC001243803248 985377390 /nfs/dbraw/zinc/37/73/90/985377390.db2.gz BJVRWSSXMZWZLP-LBPRGKRZSA-N 1 2 228.295 2.917 20 0 BFADLO Cc1cc(-c2ccc(CO)c(Cl)c2)c[nH+]c1N ZINC001243819921 985418764 /nfs/dbraw/zinc/41/87/64/985418764.db2.gz QRXIDVZDTYJPDY-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258100130 985419901 /nfs/dbraw/zinc/41/99/01/985419901.db2.gz WEWWFCQWBHFEGB-GFCCVEGCSA-N 1 2 233.359 2.871 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001258100130 985419922 /nfs/dbraw/zinc/41/99/22/985419922.db2.gz WEWWFCQWBHFEGB-GFCCVEGCSA-N 1 2 233.359 2.871 20 0 BFADLO CCc1cn(C[C@H](OC)c2ccc(F)cc2)c[nH+]1 ZINC001459262790 985419883 /nfs/dbraw/zinc/41/98/83/985419883.db2.gz OJLMIIVEBUSSOF-AWEZNQCLSA-N 1 2 248.301 2.972 20 0 BFADLO Cc1ccnc(SCc2cc[nH+]c(N)c2)c1 ZINC001459251955 985420498 /nfs/dbraw/zinc/42/04/98/985420498.db2.gz FXFMQGIJEFMYGS-UHFFFAOYSA-N 1 2 231.324 2.660 20 0 BFADLO CNc1cc(-c2cccc(OCOC)c2)cc[nH+]1 ZINC001243828164 985426209 /nfs/dbraw/zinc/42/62/09/985426209.db2.gz LQQFDCKAFOVMKW-UHFFFAOYSA-N 1 2 244.294 2.773 20 0 BFADLO COCOc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001243822875 985428754 /nfs/dbraw/zinc/42/87/54/985428754.db2.gz IILYUGNUGKABSZ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO C[N@@H+](Cc1nccc(Cl)c1Cl)C1CC1 ZINC001459361023 985477220 /nfs/dbraw/zinc/47/72/20/985477220.db2.gz BXCVUEUEUKWDRF-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@H+](Cc1nccc(Cl)c1Cl)C1CC1 ZINC001459361023 985477197 /nfs/dbraw/zinc/47/71/97/985477197.db2.gz BXCVUEUEUKWDRF-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO Fc1cc(F)c2c(c1)ncnc2C1=C[NH2+]CCC1 ZINC001243948984 985633043 /nfs/dbraw/zinc/63/30/43/985633043.db2.gz IDXXQZPSMKLQNJ-UHFFFAOYSA-N 1 2 247.248 2.632 20 0 BFADLO c1csc(-c2ccc(C3=C[NH2+]CCC3)nn2)c1 ZINC001243950152 985643326 /nfs/dbraw/zinc/64/33/26/985643326.db2.gz WFPGQTGWVHBUIM-UHFFFAOYSA-N 1 2 243.335 2.929 20 0 BFADLO Nc1cc(-c2ccc3c(c2)CCCC3=O)cc[nH+]1 ZINC001243991960 985725814 /nfs/dbraw/zinc/72/58/14/985725814.db2.gz XTMIIRIWIZQCRE-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO COCc1cc(OC)ccc1/C(C)=C/C=C/[NH3+] ZINC001244019692 985754997 /nfs/dbraw/zinc/75/49/97/985754997.db2.gz UPSGUGGMDMBWBC-JNKBEKGTSA-N 1 2 233.311 2.717 20 0 BFADLO Cc1cc(C)c(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001244147432 985852411 /nfs/dbraw/zinc/85/24/11/985852411.db2.gz QKPWIZKDXUNAPC-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO COc1cc(NC2=CC[C@H](OC)CC2)c(C)c[nH+]1 ZINC001212878347 985854253 /nfs/dbraw/zinc/85/42/53/985854253.db2.gz LBPQFQDAQQZTBZ-LBPRGKRZSA-N 1 2 248.326 2.893 20 0 BFADLO Cc1cc(C)c(-c2ccn3cc(N)[nH+]c3c2)cn1 ZINC001244148015 985854910 /nfs/dbraw/zinc/85/49/10/985854910.db2.gz OABLKLWFVFTIKL-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO CCn1cc(Nc2c(C)cc[nH+]c2C)ccc1=O ZINC001212908767 985915326 /nfs/dbraw/zinc/91/53/26/985915326.db2.gz FGPQFLHCKZGBBM-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO c1cc(C2CC2)c(-c2cc[nH+]c3c2CCN3)cn1 ZINC001244285406 985930748 /nfs/dbraw/zinc/93/07/48/985930748.db2.gz KHVFPDTUSIOXMI-UHFFFAOYSA-N 1 2 237.306 2.989 20 0 BFADLO Nc1cc(-c2ccc3cc[nH]c(=O)c3c2)cc[nH+]1 ZINC001244312472 985942756 /nfs/dbraw/zinc/94/27/56/985942756.db2.gz HDFXRJDRVNJODJ-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO COc1cc[nH+]cc1NCc1cnc(F)cc1C ZINC001461368890 986050660 /nfs/dbraw/zinc/05/06/60/986050660.db2.gz LPDSCISONCCROK-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2ccc(C)cn2)o1 ZINC001461608616 986092888 /nfs/dbraw/zinc/09/28/88/986092888.db2.gz OHVRJEZZLZNLMC-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)c(CO)c1 ZINC001244486868 986188033 /nfs/dbraw/zinc/18/80/33/986188033.db2.gz PNJHFKRBFFTSOS-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CC[C@@H](C)C[C@@H](CC)N1CC([NH+]2CCCC2)C1 ZINC001258795215 986227772 /nfs/dbraw/zinc/22/77/72/986227772.db2.gz PMGXOKHNGQIVDA-ZIAGYGMSSA-N 1 2 238.419 2.981 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc(Cl)c1O ZINC001244538777 986231563 /nfs/dbraw/zinc/23/15/63/986231563.db2.gz PTLDXAYMPSUAQQ-UHFFFAOYSA-N 1 2 222.675 2.755 20 0 BFADLO CC[C@H](C[C@@H](C)CC)N1CC([NH+]2CCCC2)C1 ZINC001258795214 986231870 /nfs/dbraw/zinc/23/18/70/986231870.db2.gz PMGXOKHNGQIVDA-UONOGXRCSA-N 1 2 238.419 2.981 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2ccc[nH+]c2N)c1 ZINC001462048022 986272384 /nfs/dbraw/zinc/27/23/84/986272384.db2.gz AFMHIXIJKNQHLK-UHFFFAOYSA-N 1 2 241.338 2.917 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258819116 986284295 /nfs/dbraw/zinc/28/42/95/986284295.db2.gz OKROVKFTKAOWTG-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258819116 986284309 /nfs/dbraw/zinc/28/43/09/986284309.db2.gz OKROVKFTKAOWTG-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO CC(=O)c1cc(-c2ccc[nH+]c2N)cs1 ZINC001244626779 986288058 /nfs/dbraw/zinc/28/80/58/986288058.db2.gz TTXYRQLZBJNJIF-UHFFFAOYSA-N 1 2 218.281 2.595 20 0 BFADLO CCc1cc(-c2ccc(C)c(N)[nH+]2)ccc1CO ZINC001244627606 986291216 /nfs/dbraw/zinc/29/12/16/986291216.db2.gz CYLGAINCJZBDCK-UHFFFAOYSA-N 1 2 242.322 2.694 20 0 BFADLO Clc1cc2c(cn1)C[N@H+](CC1CCC1)C2 ZINC001202791931 986312384 /nfs/dbraw/zinc/31/23/84/986312384.db2.gz HEODOISMMRXHCZ-UHFFFAOYSA-N 1 2 222.719 2.851 20 0 BFADLO Clc1cc2c(cn1)C[N@@H+](CC1CCC1)C2 ZINC001202791931 986312394 /nfs/dbraw/zinc/31/23/94/986312394.db2.gz HEODOISMMRXHCZ-UHFFFAOYSA-N 1 2 222.719 2.851 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(N)cc1C(F)(F)F ZINC001244747183 986326814 /nfs/dbraw/zinc/32/68/14/986326814.db2.gz DIVMVOIMRBFWDH-UHFFFAOYSA-N 1 2 241.216 2.688 20 0 BFADLO COCOc1cc(C)c(-c2c[nH+]cn2C)c(C)c1 ZINC001244772195 986333953 /nfs/dbraw/zinc/33/39/53/986333953.db2.gz ZJZXHTIMJVMNND-UHFFFAOYSA-N 1 2 246.310 2.687 20 0 BFADLO Cc1[nH+]ccc(-c2ccc(O)c(CO)c2)c1C ZINC001244774887 986337051 /nfs/dbraw/zinc/33/70/51/986337051.db2.gz GTMNDTWVJYMWAO-UHFFFAOYSA-N 1 2 229.279 2.563 20 0 BFADLO CNc1cc(F)cc(-c2cc[nH+]c(NC)c2)c1 ZINC001244828208 986361769 /nfs/dbraw/zinc/36/17/69/986361769.db2.gz BHKOKMNZUDOKJU-UHFFFAOYSA-N 1 2 231.274 2.971 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1NC[C@@H](O)C(C)C ZINC001253757939 986383188 /nfs/dbraw/zinc/38/31/88/986383188.db2.gz SRMRKWNSLQUVOJ-GFCCVEGCSA-N 1 2 236.359 2.942 20 0 BFADLO CO[C@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000383742889 986429012 /nfs/dbraw/zinc/42/90/12/986429012.db2.gz IOIMQIXWZAFJHC-KBPBESRZSA-N 1 2 234.343 2.732 20 0 BFADLO CNc1cc(-c2ccc3nnccc3c2)cc[nH+]1 ZINC001244971383 986540619 /nfs/dbraw/zinc/54/06/19/986540619.db2.gz FPMCWZZINPESEJ-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO CNc1cc(-c2cnc(C)c(C)c2)cc[nH+]1 ZINC001244972074 986546939 /nfs/dbraw/zinc/54/69/39/986546939.db2.gz BVBYBVFEVIGULR-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CNc1cc(-c2ccc3c(c2)CCOC3)cc[nH+]1 ZINC001244972171 986550725 /nfs/dbraw/zinc/55/07/25/986550725.db2.gz DREQGUZBVAEAML-UHFFFAOYSA-N 1 2 240.306 2.863 20 0 BFADLO FC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000689394412 986556253 /nfs/dbraw/zinc/55/62/53/986556253.db2.gz GJABFSTZAHOWGS-UHFFFAOYSA-N 1 2 234.727 2.730 20 0 BFADLO CNc1cc(-c2ccc3oncc3c2)cc[nH+]1 ZINC001244974302 986556639 /nfs/dbraw/zinc/55/66/39/986556639.db2.gz VFSPLDIVJBHLLN-UHFFFAOYSA-N 1 2 225.251 2.932 20 0 BFADLO CNc1cc(-c2cc(N)ccc2C)cc[nH+]1 ZINC001244976174 986562724 /nfs/dbraw/zinc/56/27/24/986562724.db2.gz QYCYCDJXQCZYJN-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO CNc1cc(-c2c3cc[nH]c3ncc2C)cc[nH+]1 ZINC001244977902 986566541 /nfs/dbraw/zinc/56/65/41/986566541.db2.gz LYJAMYNUBDUAAI-UHFFFAOYSA-N 1 2 238.294 2.927 20 0 BFADLO COc1cnc(F)c(-c2c[nH+]c(C)cc2OC)c1 ZINC001245062872 986623964 /nfs/dbraw/zinc/62/39/64/986623964.db2.gz LSKKPJGJKVCLKT-UHFFFAOYSA-N 1 2 248.257 2.608 20 0 BFADLO COc1cnc(F)c(-c2cccc3[nH+]ccn32)c1 ZINC001245061937 986624172 /nfs/dbraw/zinc/62/41/72/986624172.db2.gz OMCUIWXBXQFELK-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CC(=O)c1cccc(-c2ccc[nH+]c2N)c1F ZINC001245155714 986680047 /nfs/dbraw/zinc/68/00/47/986680047.db2.gz YIGMZLMEENOPNA-UHFFFAOYSA-N 1 2 230.242 2.673 20 0 BFADLO c1cn(Cc2ccccc2C2=CCCOC2)c[nH+]1 ZINC001245161399 986713827 /nfs/dbraw/zinc/71/38/27/986713827.db2.gz YZNVMWSSWOGTIN-UHFFFAOYSA-N 1 2 240.306 2.735 20 0 BFADLO O=C1CCC[N@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137314946 986751557 /nfs/dbraw/zinc/75/15/57/986751557.db2.gz QTYXSVNGSOBFKC-UHFFFAOYSA-N 1 2 242.322 2.723 20 0 BFADLO O=C1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137314946 986751570 /nfs/dbraw/zinc/75/15/70/986751570.db2.gz QTYXSVNGSOBFKC-UHFFFAOYSA-N 1 2 242.322 2.723 20 0 BFADLO CCCOc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001245232384 986755957 /nfs/dbraw/zinc/75/59/57/986755957.db2.gz PYAHADNYGAMUFA-UHFFFAOYSA-N 1 2 229.283 2.515 20 0 BFADLO CCn1ncc2cc(-c3ccc(N)[nH+]c3)ccc21 ZINC001245237399 986755980 /nfs/dbraw/zinc/75/59/80/986755980.db2.gz OWOOCTUVGUOXQB-UHFFFAOYSA-N 1 2 238.294 2.700 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](F)C2)[nH]1 ZINC001137372540 986834740 /nfs/dbraw/zinc/83/47/40/986834740.db2.gz YVJFHNHLQFSARZ-SNVBAGLBSA-N 1 2 224.323 2.856 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](F)C2)[nH]1 ZINC001137372540 986834743 /nfs/dbraw/zinc/83/47/43/986834743.db2.gz YVJFHNHLQFSARZ-SNVBAGLBSA-N 1 2 224.323 2.856 20 0 BFADLO Clc1cccc(C[NH+]2CC3(CCC3)C2)n1 ZINC001139548177 986835904 /nfs/dbraw/zinc/83/59/04/986835904.db2.gz ZHSIFWGMZADFJA-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO Cc1cc2ccnc(-c3c[nH+]c(N)c(C)c3)c2[nH]1 ZINC001245535394 986911412 /nfs/dbraw/zinc/91/14/12/986911412.db2.gz KOGWZQOERNTRFH-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCc1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001245536840 986914270 /nfs/dbraw/zinc/91/42/70/986914270.db2.gz MTHUURCGAIQQPB-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CC3)c[nH+]c1N ZINC001245539035 986918619 /nfs/dbraw/zinc/91/86/19/986918619.db2.gz PTHZRQCLENWUAH-UHFFFAOYSA-N 1 2 210.280 2.738 20 0 BFADLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)cc1C ZINC001245537969 986920764 /nfs/dbraw/zinc/92/07/64/986920764.db2.gz MUMSCEWUPHCGKG-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)c2nccn2c1 ZINC001245539824 986923101 /nfs/dbraw/zinc/92/31/01/986923101.db2.gz ZQGGOLAJKJHWLC-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1cc(-c2cnc(N)c(C)c2)c2[nH+]ccn2c1 ZINC001245539824 986923116 /nfs/dbraw/zinc/92/31/16/986923116.db2.gz ZQGGOLAJKJHWLC-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1cc(-c2ccc3cnoc3c2)c[nH+]c1N ZINC001245539581 986927693 /nfs/dbraw/zinc/92/76/93/986927693.db2.gz WAQWMLYYIKKHQO-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1cc(C)[nH+]cc1-c1c(O)cccc1F ZINC001245656503 987041635 /nfs/dbraw/zinc/04/16/35/987041635.db2.gz SJABFQDUAYKLFU-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)C[C@@H](C)C2CC2)[nH+]1 ZINC001472095096 987174531 /nfs/dbraw/zinc/17/45/31/987174531.db2.gz SGHMIGVWZWKGFM-SNVBAGLBSA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)C[C@@H](C)C2CC2)c[nH+]1 ZINC001472095096 987174537 /nfs/dbraw/zinc/17/45/37/987174537.db2.gz SGHMIGVWZWKGFM-SNVBAGLBSA-N 1 2 249.358 2.586 20 0 BFADLO CCc1cc(N2CC(C)(CC)C2)nc(CC)[nH+]1 ZINC001472788834 987281021 /nfs/dbraw/zinc/28/10/21/987281021.db2.gz RNQDSXGMUAQMAL-UHFFFAOYSA-N 1 2 233.359 2.838 20 0 BFADLO CCC(CC)N(C(=O)[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001115978935 987424447 /nfs/dbraw/zinc/42/44/47/987424447.db2.gz IASKGPSGBJNHSP-LLVKDONJSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc([C@H]2CCCC[N@@H+]2C/C=C\Cl)[nH]n1 ZINC001473829551 987570085 /nfs/dbraw/zinc/57/00/85/987570085.db2.gz WWSLLLVBESZRDM-TXNVCOODSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1cc([C@H]2CCCC[N@H+]2C/C=C\Cl)[nH]n1 ZINC001473829551 987570093 /nfs/dbraw/zinc/57/00/93/987570093.db2.gz WWSLLLVBESZRDM-TXNVCOODSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1cc([C@@H]2CCCC[N@@H+]2C/C=C\Cl)[nH]n1 ZINC001473829550 987573857 /nfs/dbraw/zinc/57/38/57/987573857.db2.gz WWSLLLVBESZRDM-RNZFLTOJSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1cc([C@@H]2CCCC[N@H+]2C/C=C\Cl)[nH]n1 ZINC001473829550 987573873 /nfs/dbraw/zinc/57/38/73/987573873.db2.gz WWSLLLVBESZRDM-RNZFLTOJSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1ncoc1CNc1[nH]c2cc(C)ccc2[nH+]1 ZINC001474248349 987664468 /nfs/dbraw/zinc/66/44/68/987664468.db2.gz KEJOPHXTFDQBMR-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)n1cc[nH+]c1 ZINC001116717696 987680012 /nfs/dbraw/zinc/68/00/12/987680012.db2.gz USQQVGYEUUDQTH-AGIUHOORSA-N 1 2 249.358 2.529 20 0 BFADLO CCCn1c[nH+]cc1CN(C)c1ccccc1 ZINC001474408998 987715504 /nfs/dbraw/zinc/71/55/04/987715504.db2.gz LQXDAPHFRMHUJR-UHFFFAOYSA-N 1 2 229.327 2.930 20 0 BFADLO CCCCC[C@@H](CCC)N[C@H]1C[NH2+]CC1(F)F ZINC001246458629 987817202 /nfs/dbraw/zinc/81/72/02/987817202.db2.gz HMXTVAWMMLMXQY-NEPJUHHUSA-N 1 2 248.361 2.932 20 0 BFADLO C[NH+](C)Cc1nnc(CCCCC(C)(C)C)o1 ZINC001118372619 988235684 /nfs/dbraw/zinc/23/56/84/988235684.db2.gz YVUQIDDYJKSPGV-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO C[NH+](C)Cc1nnc(C2CC3(C2)CCCCC3)o1 ZINC001118898128 988677164 /nfs/dbraw/zinc/67/71/64/988677164.db2.gz UKWCDDUKNXYHHZ-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[NH+](C)Cc1nnc([C@H]2CCCC3(CC3)C2)o1 ZINC001118956749 988739225 /nfs/dbraw/zinc/73/92/25/988739225.db2.gz HGOAOISVILTAME-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO CCc1nn(C[N@H+](C)CCC(C)C)c(=S)o1 ZINC001119324115 988945746 /nfs/dbraw/zinc/94/57/46/988945746.db2.gz ASXVZAGEWHNIST-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO CCc1nn(C[N@@H+](C)CCC(C)C)c(=S)o1 ZINC001119324115 988945758 /nfs/dbraw/zinc/94/57/58/988945758.db2.gz ASXVZAGEWHNIST-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO CCC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC001324992366 989042742 /nfs/dbraw/zinc/04/27/42/989042742.db2.gz GRDXFJCNRCSIDZ-AAEUAGOBSA-N 1 2 249.358 2.529 20 0 BFADLO CCc1ccc(N2CC[C@H](C(F)F)C2)[nH+]c1 ZINC001515719298 989108206 /nfs/dbraw/zinc/10/82/06/989108206.db2.gz BOVNQEDCRHKENY-JTQLQIEISA-N 1 2 226.270 2.735 20 0 BFADLO c1cn2cccc(Nc3cc4cccnc4[nH]3)c2[nH+]1 ZINC001248699309 989127320 /nfs/dbraw/zinc/12/73/20/989127320.db2.gz PYNMSNCTGYYXNI-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CCC[N@H+](C)Cc1c(Cl)ccnc1OC ZINC001248791833 989147255 /nfs/dbraw/zinc/14/72/55/989147255.db2.gz WIDNSNHUOCIKGQ-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO CCC[N@@H+](C)Cc1c(Cl)ccnc1OC ZINC001248791833 989147262 /nfs/dbraw/zinc/14/72/62/989147262.db2.gz WIDNSNHUOCIKGQ-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC001249526942 989301416 /nfs/dbraw/zinc/30/14/16/989301416.db2.gz GPUZKRCSDLNWCX-QMMMGPOBSA-N 1 2 208.330 2.615 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1nc(C2CC2)cs1 ZINC001249526942 989301434 /nfs/dbraw/zinc/30/14/34/989301434.db2.gz GPUZKRCSDLNWCX-QMMMGPOBSA-N 1 2 208.330 2.615 20 0 BFADLO C[C@H]1C[C@H](c2nnc(C[NH+](C)C)o2)C[C@@H](C)C1 ZINC001326941584 989784488 /nfs/dbraw/zinc/78/44/88/989784488.db2.gz WASJOKJBHCPXJI-URLYPYJESA-N 1 2 237.347 2.671 20 0 BFADLO C[NH+](C)Cc1nnc(C2CCC(C)(C)CC2)o1 ZINC001326987757 989801482 /nfs/dbraw/zinc/80/14/82/989801482.db2.gz TWMQOHNKRHYBPO-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H]1C1CCC1 ZINC001120812088 989894254 /nfs/dbraw/zinc/89/42/54/989894254.db2.gz IVNWQCWWIKCPKW-LBPRGKRZSA-N 1 2 220.291 2.990 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC001120862084 989931973 /nfs/dbraw/zinc/93/19/73/989931973.db2.gz AFPVEOGPCDEDIB-MNOVXSKESA-N 1 2 238.306 2.533 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@@H](CF)C2)[nH+]1 ZINC001120958613 989990822 /nfs/dbraw/zinc/99/08/22/989990822.db2.gz YPCILQJWAQYBCF-JTQLQIEISA-N 1 2 226.270 2.715 20 0 BFADLO CCC(=CC(=O)Nc1c(C)c[nH+]cc1C)CC ZINC001121230591 990053319 /nfs/dbraw/zinc/05/33/19/990053319.db2.gz AFIBVAUGRLJKGE-UHFFFAOYSA-N 1 2 232.327 2.805 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001527012327 990197796 /nfs/dbraw/zinc/19/77/96/990197796.db2.gz SGFNLAWYYWZHOZ-QWRGUYRKSA-N 1 2 238.331 2.628 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1=CC[C@@H](C)CC1 ZINC001527011510 990199389 /nfs/dbraw/zinc/19/93/89/990199389.db2.gz DYHIRKJDGZQIDO-LLVKDONJSA-N 1 2 248.326 2.693 20 0 BFADLO CC/C(C)=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001527999852 990257187 /nfs/dbraw/zinc/25/71/87/990257187.db2.gz LXTKAOHWZRKKFO-NTMALXAHSA-N 1 2 229.283 2.629 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001537534826 990505348 /nfs/dbraw/zinc/50/53/48/990505348.db2.gz GIONUSOFCBVOFI-TZMCWYRMSA-N 1 2 246.354 2.967 20 0 BFADLO CC1=C(C(=O)OCC(C)(C)n2cc[nH+]c2)CCC1 ZINC001123153593 990520200 /nfs/dbraw/zinc/52/02/00/990520200.db2.gz GURWMLWULPPIMZ-UHFFFAOYSA-N 1 2 248.326 2.662 20 0 BFADLO CC[N@@H+]1CC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC001544963488 990741500 /nfs/dbraw/zinc/74/15/00/990741500.db2.gz CTUQFVDHUJFRHV-CYBMUJFWSA-N 1 2 246.354 2.645 20 0 BFADLO CC[N@H+]1CC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC001544963488 990741505 /nfs/dbraw/zinc/74/15/05/990741505.db2.gz CTUQFVDHUJFRHV-CYBMUJFWSA-N 1 2 246.354 2.645 20 0 BFADLO COCC[N@H+](C)Cc1c(Cl)ccc(C)c1F ZINC001138030952 990878495 /nfs/dbraw/zinc/87/84/95/990878495.db2.gz YLAINHRKQUBAKV-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO COCC[N@@H+](C)Cc1c(Cl)ccc(C)c1F ZINC001138030952 990878498 /nfs/dbraw/zinc/87/84/98/990878498.db2.gz YLAINHRKQUBAKV-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO CC[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558351418 990941630 /nfs/dbraw/zinc/94/16/30/990941630.db2.gz KMVQTWMTNJXSMM-JOYOIKCWSA-N 1 2 249.358 2.736 20 0 BFADLO COc1c(F)cc(C[N@@H+]2CC[C@@H]2C)cc1F ZINC001138422129 990942656 /nfs/dbraw/zinc/94/26/56/990942656.db2.gz ZCIWSAYFRZJXPW-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)cc(C[N@H+]2CC[C@@H]2C)cc1F ZINC001138422129 990942661 /nfs/dbraw/zinc/94/26/61/990942661.db2.gz ZCIWSAYFRZJXPW-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO CCC=C(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001558559857 990966928 /nfs/dbraw/zinc/96/69/28/990966928.db2.gz DFBONPADMHPRAK-POHAHGRESA-N 1 2 235.331 2.506 20 0 BFADLO CC/C=C(/C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001558559857 990966933 /nfs/dbraw/zinc/96/69/33/990966933.db2.gz DFBONPADMHPRAK-POHAHGRESA-N 1 2 235.331 2.506 20 0 BFADLO CCc1cc(N2C[C@H](C)[C@@H](C)C2)nc(CC)[nH+]1 ZINC001559115833 991036972 /nfs/dbraw/zinc/03/69/72/991036972.db2.gz IEMUNWYTMPIUOQ-QWRGUYRKSA-N 1 2 233.359 2.694 20 0 BFADLO Fc1ncccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001138783216 991038472 /nfs/dbraw/zinc/03/84/72/991038472.db2.gz NTERWTKRXZVERH-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ncccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001138783216 991038482 /nfs/dbraw/zinc/03/84/82/991038482.db2.gz NTERWTKRXZVERH-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@H]1C[N@H+](Cc2cccnc2F)CCC1(F)F ZINC001138782650 991040729 /nfs/dbraw/zinc/04/07/29/991040729.db2.gz DEFCSGOLDKYZTF-VIFPVBQESA-N 1 2 244.260 2.698 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cccnc2F)CCC1(F)F ZINC001138782650 991040741 /nfs/dbraw/zinc/04/07/41/991040741.db2.gz DEFCSGOLDKYZTF-VIFPVBQESA-N 1 2 244.260 2.698 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccc3ccnn32)C[C@H]1F ZINC001138804601 991061474 /nfs/dbraw/zinc/06/14/74/991061474.db2.gz OTPOUYMTWJBELJ-BXUZGUMPSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccc3ccnn32)C[C@H]1F ZINC001138804601 991061480 /nfs/dbraw/zinc/06/14/80/991061480.db2.gz OTPOUYMTWJBELJ-BXUZGUMPSA-N 1 2 247.317 2.514 20 0 BFADLO CC(C)c1nc(C[NH+]2CC(C)C2)cs1 ZINC001138884869 991091028 /nfs/dbraw/zinc/09/10/28/991091028.db2.gz KHNYZZGXJBFISK-UHFFFAOYSA-N 1 2 210.346 2.718 20 0 BFADLO CCc1cn(C[C@@H]2CCCC(C)(C)O2)c[nH+]1 ZINC001559466295 991113755 /nfs/dbraw/zinc/11/37/55/991113755.db2.gz QEGDXGKCKMGFRH-LBPRGKRZSA-N 1 2 222.332 2.793 20 0 BFADLO C[C@H]1CCCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC001202892127 991135440 /nfs/dbraw/zinc/13/54/40/991135440.db2.gz IGYUGFAXVGRQEF-WCQYABFASA-N 1 2 234.343 2.812 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC001258273072 991201385 /nfs/dbraw/zinc/20/13/85/991201385.db2.gz HRWSKBYSSHIGTL-LLVKDONJSA-N 1 2 239.359 2.641 20 0 BFADLO COC1(C(F)(F)F)C[NH+](CCC(C)(C)C)C1 ZINC001308956061 991231182 /nfs/dbraw/zinc/23/11/82/991231182.db2.gz DOTOXHJRAQNLDF-UHFFFAOYSA-N 1 2 239.281 2.686 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(Cl)ccn2)C1 ZINC001139559445 991264368 /nfs/dbraw/zinc/26/43/68/991264368.db2.gz GQWBKTOJFRFWDN-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC001139559445 991264379 /nfs/dbraw/zinc/26/43/79/991264379.db2.gz GQWBKTOJFRFWDN-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+](CC)C1COC1 ZINC001139603404 991283142 /nfs/dbraw/zinc/28/31/42/991283142.db2.gz AVDSCTJMXJBCOZ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+](CC)C1COC1 ZINC001139603404 991283155 /nfs/dbraw/zinc/28/31/55/991283155.db2.gz AVDSCTJMXJBCOZ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO COc1ccc(C[NH+]2CC(OC)C2)cc1C(C)C ZINC001139616139 991295008 /nfs/dbraw/zinc/29/50/08/991295008.db2.gz AKNHJPBBQJQGMB-UHFFFAOYSA-N 1 2 249.354 2.649 20 0 BFADLO C[NH+](C)Cc1cc(Cl)ncc1Br ZINC001139806155 991373189 /nfs/dbraw/zinc/37/31/89/991373189.db2.gz OXTWDCWKXWNSEV-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO CCCCC[C@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258446201 991384666 /nfs/dbraw/zinc/38/46/66/991384666.db2.gz ORDDXAKRSKZBTG-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258446201 991384670 /nfs/dbraw/zinc/38/46/70/991384670.db2.gz ORDDXAKRSKZBTG-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ncccc2C)o1 ZINC001560221495 991425802 /nfs/dbraw/zinc/42/58/02/991425802.db2.gz XJJQKFZDVJCURD-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cc(O)ccc2F)C1 ZINC001140051045 991504320 /nfs/dbraw/zinc/50/43/20/991504320.db2.gz UCEVIQNZRNZZKE-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(O)ccc2F)C1 ZINC001140051045 991504327 /nfs/dbraw/zinc/50/43/27/991504327.db2.gz UCEVIQNZRNZZKE-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)ccn1 ZINC001140104596 991519636 /nfs/dbraw/zinc/51/96/36/991519636.db2.gz UEOHPPWPTKSOFJ-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cc(C(F)(F)F)ccn1 ZINC001140104596 991519649 /nfs/dbraw/zinc/51/96/49/991519649.db2.gz UEOHPPWPTKSOFJ-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H](c1nnc(CC2CCCC2)o1)n1cc[nH+]c1 ZINC001258627782 991561750 /nfs/dbraw/zinc/56/17/50/991561750.db2.gz KAQQDXLYIYVUIQ-SNVBAGLBSA-N 1 2 246.314 2.608 20 0 BFADLO CCCOC1C[NH+](Cc2cc(C)c(O)cc2C)C1 ZINC001140200340 991561767 /nfs/dbraw/zinc/56/17/67/991561767.db2.gz XJDZGVPATVOYNY-UHFFFAOYSA-N 1 2 249.354 2.620 20 0 BFADLO CCC[C@@H](Cc1ccccc1)[N@@H+]1CCC(=O)C1 ZINC001258658704 991594665 /nfs/dbraw/zinc/59/46/65/991594665.db2.gz KGNJITLJSFFFQU-AWEZNQCLSA-N 1 2 231.339 2.673 20 0 BFADLO CCC[C@@H](Cc1ccccc1)[N@H+]1CCC(=O)C1 ZINC001258658704 991594673 /nfs/dbraw/zinc/59/46/73/991594673.db2.gz KGNJITLJSFFFQU-AWEZNQCLSA-N 1 2 231.339 2.673 20 0 BFADLO CCCC[C@H](Cc1ccccc1)[NH2+]CC(=O)OC ZINC001258702700 991634216 /nfs/dbraw/zinc/63/42/16/991634216.db2.gz WFRDFTCMHPZLAX-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO CCCC[C@@H](Cc1ccccc1)[NH2+]CC(=O)OC ZINC001258702698 991635150 /nfs/dbraw/zinc/63/51/50/991635150.db2.gz WFRDFTCMHPZLAX-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO CCCC[C@H](CCC)[NH2+]C1(C(=O)OC)CC1 ZINC001258753282 991696521 /nfs/dbraw/zinc/69/65/21/991696521.db2.gz YGRPOBAHZPVDGJ-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO CCCC[C@H](CCC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258767853 991729488 /nfs/dbraw/zinc/72/94/88/991729488.db2.gz YFKRLZILHPSTFP-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO CCCC[C@H](CCC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258767853 991729492 /nfs/dbraw/zinc/72/94/92/991729492.db2.gz YFKRLZILHPSTFP-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258798922 991792867 /nfs/dbraw/zinc/79/28/67/991792867.db2.gz ZEKLKGUCHBBNRB-SDDRHHMPSA-N 1 2 229.339 2.814 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258798922 991792878 /nfs/dbraw/zinc/79/28/78/991792878.db2.gz ZEKLKGUCHBBNRB-SDDRHHMPSA-N 1 2 229.339 2.814 20 0 BFADLO Cc1cccnc1CSCCn1cc[nH+]c1 ZINC001319859414 992007840 /nfs/dbraw/zinc/00/78/40/992007840.db2.gz VBWZCNQNXRXEGU-UHFFFAOYSA-N 1 2 233.340 2.520 20 0 BFADLO C[C@H](C(=O)N(C)C1CCCCCC1)n1cc[nH+]c1 ZINC001320179751 992122782 /nfs/dbraw/zinc/12/27/82/992122782.db2.gz YWSLWHODZCKIPZ-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@@H](C(=O)N(C)C1CCCCCC1)n1cc[nH+]c1 ZINC001320179752 992123549 /nfs/dbraw/zinc/12/35/49/992123549.db2.gz YWSLWHODZCKIPZ-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO OC1C[NH+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000362307835 992189436 /nfs/dbraw/zinc/18/94/36/992189436.db2.gz BKVYALSKDFJDSU-UHFFFAOYSA-N 1 2 245.347 2.592 20 0 BFADLO CC[N@H+](Cc1noc(C(C)C)n1)C(C)(C)C ZINC001261258495 992231618 /nfs/dbraw/zinc/23/16/18/992231618.db2.gz DMXNNEBNNHTIFO-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)C)n1)C(C)(C)C ZINC001261258495 992231627 /nfs/dbraw/zinc/23/16/27/992231627.db2.gz DMXNNEBNNHTIFO-UHFFFAOYSA-N 1 2 225.336 2.813 20 0 BFADLO CC[C@H]([NH2+]Cc1nnc[nH]1)c1cc(C)ccc1C ZINC001261810752 992516779 /nfs/dbraw/zinc/51/67/79/992516779.db2.gz LWBWAZBXYAAIKE-ZDUSSCGKSA-N 1 2 244.342 2.662 20 0 BFADLO C[NH+](C)Cc1nnc(C2[C@@H]3CCCCCC[C@@H]23)o1 ZINC001261835846 992530802 /nfs/dbraw/zinc/53/08/02/992530802.db2.gz HYXQFHNCPBSTMI-GHMZBOCLSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1ncoc1C[N@@H+](C)Cc1ccoc1C ZINC001262109188 992680437 /nfs/dbraw/zinc/68/04/37/992680437.db2.gz MEMLHKWNMHDSPM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ncoc1C[N@H+](C)Cc1ccoc1C ZINC001262109188 992680448 /nfs/dbraw/zinc/68/04/48/992680448.db2.gz MEMLHKWNMHDSPM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC(C)CCCC[NH2+][C@@H](c1cn[nH]n1)C(C)C ZINC001575376788 993026905 /nfs/dbraw/zinc/02/69/05/993026905.db2.gz XAFNPIZVGCZPSB-CYBMUJFWSA-N 1 2 238.379 2.918 20 0 BFADLO CC(C)CCCC[NH2+][C@@H](c1c[nH]nn1)C(C)C ZINC001575376788 993026914 /nfs/dbraw/zinc/02/69/14/993026914.db2.gz XAFNPIZVGCZPSB-CYBMUJFWSA-N 1 2 238.379 2.918 20 0 BFADLO CCc1ccc(N2CC[C@H]([C@H]3CCCO3)C2)[nH+]c1 ZINC001262705435 993048667 /nfs/dbraw/zinc/04/86/67/993048667.db2.gz IOBPATMYTBRNSF-UONOGXRCSA-N 1 2 246.354 2.649 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H](C)CC(C)C ZINC001262805224 993068973 /nfs/dbraw/zinc/06/89/73/993068973.db2.gz JEFHQBHYNNLAHV-JTQLQIEISA-N 1 2 234.343 2.741 20 0 BFADLO CCC[C@@H]([NH2+][C@@H](CC)c1cn[nH]n1)C1CCC1 ZINC001576361362 993276069 /nfs/dbraw/zinc/27/60/69/993276069.db2.gz DFEVYCWHSNUIGZ-NWDGAFQWSA-N 1 2 236.363 2.814 20 0 BFADLO CCC[C@@H]([NH2+][C@@H](CC)c1c[nH]nn1)C1CCC1 ZINC001576361362 993276087 /nfs/dbraw/zinc/27/60/87/993276087.db2.gz DFEVYCWHSNUIGZ-NWDGAFQWSA-N 1 2 236.363 2.814 20 0 BFADLO CC(F)(F)CNc1cc2cc[nH]c2c[nH+]1 ZINC000382155670 993443661 /nfs/dbraw/zinc/44/36/61/993443661.db2.gz REJASZZTAFYZED-UHFFFAOYSA-N 1 2 211.215 2.630 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CC1=CCCCC1 ZINC001263663061 993455657 /nfs/dbraw/zinc/45/56/57/993455657.db2.gz SRZCIYUBVRSGEK-UHFFFAOYSA-N 1 2 248.326 2.837 20 0 BFADLO COc1cc2[nH+]c(CC3CC3)[nH]c2cc1F ZINC000587958903 993465117 /nfs/dbraw/zinc/46/51/17/993465117.db2.gz GWRZZLGENPLDME-UHFFFAOYSA-N 1 2 220.247 2.663 20 0 BFADLO COc1cc2[nH]c(CC3CC3)[nH+]c2cc1F ZINC000587958903 993465121 /nfs/dbraw/zinc/46/51/21/993465121.db2.gz GWRZZLGENPLDME-UHFFFAOYSA-N 1 2 220.247 2.663 20 0 BFADLO Cc1cc[nH+]c(C)c1N[C@@H](C)c1cnccn1 ZINC000383298615 993488029 /nfs/dbraw/zinc/48/80/29/993488029.db2.gz ONPMDSHKRZQFLS-JTQLQIEISA-N 1 2 228.299 2.662 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc2c(c1)CCCO2 ZINC000383796905 993518131 /nfs/dbraw/zinc/51/81/31/993518131.db2.gz IACUFUOUFXMMNG-UHFFFAOYSA-N 1 2 241.294 2.732 20 0 BFADLO COc1cc[nH+]cc1CCC(=O)c1ccccc1 ZINC000386237428 993683160 /nfs/dbraw/zinc/68/31/60/993683160.db2.gz BCJURLYRLKIFKO-UHFFFAOYSA-N 1 2 241.290 2.906 20 0 BFADLO Cc1cccc(N)c1Nc1ccc(N(C)C)[nH+]c1 ZINC000387210562 993704746 /nfs/dbraw/zinc/70/47/46/993704746.db2.gz PZCBJPLDNSDJEM-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO Cc1sccc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001288771498 994479123 /nfs/dbraw/zinc/47/91/23/994479123.db2.gz QDFKSTCTRRQDLY-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO CC/C=C(\F)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001301269813 995079990 /nfs/dbraw/zinc/07/99/90/995079990.db2.gz VBKPAWIRVXMKTM-KMKOMSMNSA-N 1 2 233.246 2.536 20 0 BFADLO c1csc(C[NH2+]Cc2cc3cnccc3o2)n1 ZINC001308216683 995599684 /nfs/dbraw/zinc/59/96/84/995599684.db2.gz PXOULTWLBDICFU-UHFFFAOYSA-N 1 2 245.307 2.574 20 0 BFADLO CCC(CC)(CNc1cccc[nH+]1)OC ZINC000309021363 168326599 /nfs/dbraw/zinc/32/65/99/168326599.db2.gz UXRBBCSGVNVCAY-UHFFFAOYSA-N 1 2 208.305 2.699 20 0 BFADLO CCC(CC)(CNc1cc[nH+]c(C2CC2)n1)OC ZINC000292403107 168326651 /nfs/dbraw/zinc/32/66/51/168326651.db2.gz VBYWYFLVSCSHPJ-UHFFFAOYSA-N 1 2 249.358 2.971 20 0 BFADLO Fc1c[nH+]ccc1NCc1cnc(C2CC2)s1 ZINC000580270640 346817192 /nfs/dbraw/zinc/81/71/92/346817192.db2.gz QLQOMCBMXTUJBN-UHFFFAOYSA-N 1 2 249.314 2.589 20 0 BFADLO COc1cc(C[NH2+]CC(C)(F)F)ccc1C ZINC000378719640 346815796 /nfs/dbraw/zinc/81/57/96/346815796.db2.gz FGFZYAXWSWGJFW-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO COC[C@@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378726297 346816300 /nfs/dbraw/zinc/81/63/00/346816300.db2.gz UDZGQWSRTKVDSP-LLVKDONJSA-N 1 2 229.270 2.619 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(F)F ZINC000389968954 398153159 /nfs/dbraw/zinc/15/31/59/398153159.db2.gz QNVRIZKXWOVOAX-NKWVEPMBSA-N 1 2 218.222 2.525 20 0 BFADLO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(F)F)CC2 ZINC000389945141 398154042 /nfs/dbraw/zinc/15/40/42/398154042.db2.gz SSKXIYSLPSAPHR-PELKAZGASA-N 1 2 241.281 2.926 20 0 BFADLO CCC(CC)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000192994289 168335294 /nfs/dbraw/zinc/33/52/94/168335294.db2.gz MGCJVXPGSOXPLG-GFCCVEGCSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)c2c(C)noc2C)on1 ZINC000285889458 178016958 /nfs/dbraw/zinc/01/69/58/178016958.db2.gz ZYSGWRBXZPQKBP-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Cc1cc(C[NH2+]Cc2cccc(Cl)c2)no1 ZINC000044294911 178027203 /nfs/dbraw/zinc/02/72/03/178027203.db2.gz PBHYIPSEYYDZFP-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(F)c(F)c2)no1 ZINC000044692182 178027830 /nfs/dbraw/zinc/02/78/30/178027830.db2.gz SNTDSAVDAUPQJM-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cnc(NCc2ccc[nH+]c2N(C)C)s1 ZINC000302133454 398174473 /nfs/dbraw/zinc/17/44/73/398174473.db2.gz YXKKJQVSPWTQJU-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)(O)CCNc1ccc2ccccc2[nH+]1 ZINC000274789637 398164324 /nfs/dbraw/zinc/16/43/24/398164324.db2.gz RBXQLYBMAZBAJE-UHFFFAOYSA-N 1 2 230.311 2.808 20 0 BFADLO CC(F)(F)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000649381400 398189926 /nfs/dbraw/zinc/18/99/26/398189926.db2.gz NGIGACBJBNMJRO-UHFFFAOYSA-N 1 2 243.301 2.653 20 0 BFADLO Cc1cc(N2CCC[C@@H]2c2ccncc2)nc[nH+]1 ZINC000301931039 178114844 /nfs/dbraw/zinc/11/48/44/178114844.db2.gz OOMUXBZWQKLDJY-CYBMUJFWSA-N 1 2 240.310 2.522 20 0 BFADLO Cc1cc(N(C)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000112964250 178093044 /nfs/dbraw/zinc/09/30/44/178093044.db2.gz DYHRABSJDAXYQK-UHFFFAOYSA-N 1 2 242.326 2.692 20 0 BFADLO Cc1c[nH]nc1CNc1ccc([NH+](C)C)cc1C ZINC000289702509 178094361 /nfs/dbraw/zinc/09/43/61/178094361.db2.gz BXCSFUUXDYFROV-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(F)F ZINC000649384049 398192526 /nfs/dbraw/zinc/19/25/26/398192526.db2.gz OUSUPIQOBAKFGU-MRVPVSSYSA-N 1 2 243.301 2.652 20 0 BFADLO Cc1cc(N(C)C2CC2)nc(C(C)C)[nH+]1 ZINC000301088970 178096028 /nfs/dbraw/zinc/09/60/28/178096028.db2.gz LYOYHTWLKXGFMT-UHFFFAOYSA-N 1 2 205.305 2.507 20 0 BFADLO Cc1cc(N(C)C2CCOCC2)nc(C(C)C)[nH+]1 ZINC000301453361 178096264 /nfs/dbraw/zinc/09/62/64/178096264.db2.gz VIVSMAWUJWYPSI-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCSC1 ZINC000036934745 178096853 /nfs/dbraw/zinc/09/68/53/178096853.db2.gz ZWODJAGPUVBEKZ-NSHDSACASA-N 1 2 236.384 2.978 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)[C@@H]1CCOC1 ZINC000164937598 178096893 /nfs/dbraw/zinc/09/68/93/178096893.db2.gz RKCIWIVFVKNSKT-CHWSQXEVSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000164937598 178096895 /nfs/dbraw/zinc/09/68/95/178096895.db2.gz RKCIWIVFVKNSKT-CHWSQXEVSA-N 1 2 248.370 2.898 20 0 BFADLO FCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000336695200 398195821 /nfs/dbraw/zinc/19/58/21/398195821.db2.gz LPXOJEGNUFCNNS-LLVKDONJSA-N 1 2 236.315 2.792 20 0 BFADLO Cc1cc(N)nc(SCC2CC(F)(F)C2)[nH+]1 ZINC000294933252 178109255 /nfs/dbraw/zinc/10/92/55/178109255.db2.gz HNNQXWONLMRGGG-UHFFFAOYSA-N 1 2 245.298 2.505 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@@H]3CCC[C@H]32)nc[nH+]1 ZINC000338817793 178111635 /nfs/dbraw/zinc/11/16/35/178111635.db2.gz VEDJYNTWJNFSPD-VXGBXAGGSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2CCC3(C2)CCCCC3)nc[nH+]1 ZINC000301478905 178112616 /nfs/dbraw/zinc/11/26/16/178112616.db2.gz XXPDVEZKYIKKRP-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO Cc1cc(N2CCCCC[C@H]2C)nc[nH+]1 ZINC000301252140 178113377 /nfs/dbraw/zinc/11/33/77/178113377.db2.gz DMRXBUSGYDWCIB-LLVKDONJSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1cc(N2CCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000361280529 178115660 /nfs/dbraw/zinc/11/56/60/178115660.db2.gz ITUAXIZFNWBFDA-LLVKDONJSA-N 1 2 219.332 2.897 20 0 BFADLO Cc1cc(N2CCC[C@H]2CC(C)C)nc[nH+]1 ZINC000301238754 178115758 /nfs/dbraw/zinc/11/57/58/178115758.db2.gz MXRRSQVDZOZDCN-LBPRGKRZSA-N 1 2 219.332 2.800 20 0 BFADLO C[C@@H](CC(=O)N(C)C1(C)CCCC1)n1cc[nH+]c1 ZINC000649973742 398201864 /nfs/dbraw/zinc/20/18/64/398201864.db2.gz OMIKXSZNGFVLIJ-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO Fc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000040504130 398201845 /nfs/dbraw/zinc/20/18/45/398201845.db2.gz ADUIBGULYQICFV-UHFFFAOYSA-N 1 2 222.288 2.572 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000354352583 178120304 /nfs/dbraw/zinc/12/03/04/178120304.db2.gz ILLOYQAKTSOEGX-KOLCDFICSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2C[C@@H](C)CCC[C@@H]2C)nc[nH+]1 ZINC000301412419 178120733 /nfs/dbraw/zinc/12/07/33/178120733.db2.gz KVHJSHXWFDDEFJ-JQWIXIFHSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H]2c2ccccc2)nc[nH+]1 ZINC000301475376 178121898 /nfs/dbraw/zinc/12/18/98/178121898.db2.gz SDXDGBCYVRBHOR-NHYWBVRUSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000302162840 178122056 /nfs/dbraw/zinc/12/20/56/178122056.db2.gz KEGHNPHZHOMQLV-CYZMBNFOSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(NC(=O)C(C2CC2)C2CC2)cc[nH+]1 ZINC000128692180 178125964 /nfs/dbraw/zinc/12/59/64/178125964.db2.gz LIJHREIYXFMTNG-UHFFFAOYSA-N 1 2 230.311 2.765 20 0 BFADLO Cc1cc(NC(=O)CC[C@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000175085963 178128091 /nfs/dbraw/zinc/12/80/91/178128091.db2.gz GLDFMSXIFGGOHV-WCQYABFASA-N 1 2 248.326 2.676 20 0 BFADLO Cc1cc(NC(=O)CC[C@H]2CC[C@@H](C)O2)cc[nH+]1 ZINC000175085997 178128722 /nfs/dbraw/zinc/12/87/22/178128722.db2.gz GLDFMSXIFGGOHV-DGCLKSJQSA-N 1 2 248.326 2.676 20 0 BFADLO Cc1cc(NC(=O)N2CCC(C)(C)C2)cc[nH+]1 ZINC000119347234 178135600 /nfs/dbraw/zinc/13/56/00/178135600.db2.gz PUYWVIHKGBOFPN-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)N2CCCC[C@H]2C)cc[nH+]1 ZINC000119450457 178135636 /nfs/dbraw/zinc/13/56/36/178135636.db2.gz IFJYNLHOSFIWHS-LLVKDONJSA-N 1 2 233.315 2.796 20 0 BFADLO Cc1cc(NC(=O)N(C)[C@@H](C)C2CC2)cc[nH+]1 ZINC000119664367 178135824 /nfs/dbraw/zinc/13/58/24/178135824.db2.gz ARVATNXFCUOBRF-JTQLQIEISA-N 1 2 233.315 2.652 20 0 BFADLO Cc1cc(NC(=O)N2CCC(C)CC2)cc[nH+]1 ZINC000119676858 178136145 /nfs/dbraw/zinc/13/61/45/178136145.db2.gz PKXOBCCSMJZHDN-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C(C)C)cc[nH+]1 ZINC000171978178 178146901 /nfs/dbraw/zinc/14/69/01/178146901.db2.gz QOYIJGSEFROWEW-SNVBAGLBSA-N 1 2 206.289 2.621 20 0 BFADLO Cc1cc(NC2CCC(F)(F)CC2)nc[nH+]1 ZINC000309889893 178154366 /nfs/dbraw/zinc/15/43/66/178154366.db2.gz ZVTLEEZZONTGQE-UHFFFAOYSA-N 1 2 227.258 2.775 20 0 BFADLO Cc1cc(NCC2(C(C)C)CC2)nc[nH+]1 ZINC000227823836 178156604 /nfs/dbraw/zinc/15/66/04/178156604.db2.gz NTHFZVGGWAKSOF-UHFFFAOYSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1cc(NCC2CCCCC2)nc[nH+]1 ZINC000040727141 178158375 /nfs/dbraw/zinc/15/83/75/178158375.db2.gz HPFVXBUTWBAESL-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1cc(NCCC[C@H]2CCCCO2)nc[nH+]1 ZINC000302126095 178159168 /nfs/dbraw/zinc/15/91/68/178159168.db2.gz AORNUXFVKOVTGJ-GFCCVEGCSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1cc(NCCc2ccc(F)cc2C)nc[nH+]1 ZINC000094957697 178163612 /nfs/dbraw/zinc/16/36/12/178163612.db2.gz OBLWSPUQDIQTJD-UHFFFAOYSA-N 1 2 245.301 2.887 20 0 BFADLO Cc1nc(C)c(CCNc2cc(C)[nH+]cn2)s1 ZINC000301256858 178163698 /nfs/dbraw/zinc/16/36/98/178163698.db2.gz NTQVGGOVNGSKGV-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1cc(NCCc2ccccc2F)nc[nH+]1 ZINC000040727040 178163844 /nfs/dbraw/zinc/16/38/44/178163844.db2.gz UGTYSFWUXXKYQI-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1cc(NC[C@@H]2CCCOC2)nc(C(C)C)[nH+]1 ZINC000038046320 178166979 /nfs/dbraw/zinc/16/69/79/178166979.db2.gz OQWKBOGYEWZGPM-LBPRGKRZSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1cc(NC[C@H]2CC=CCC2)nc[nH+]1 ZINC000301283213 178168213 /nfs/dbraw/zinc/16/82/13/178168213.db2.gz YIELAWALPPVMME-NSHDSACASA-N 1 2 203.289 2.553 20 0 BFADLO Cc1cc(NC[C@H]2Cc3ccccc32)nc[nH+]1 ZINC000040727239 178169521 /nfs/dbraw/zinc/16/95/21/178169521.db2.gz UNHDUMNMVIOZLY-GFCCVEGCSA-N 1 2 225.295 2.537 20 0 BFADLO Cc1cc(NC[C@H]2C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000265300671 178170764 /nfs/dbraw/zinc/17/07/64/178170764.db2.gz CXSWCOIQXPDOKW-GZMMTYOYSA-N 1 2 217.316 2.730 20 0 BFADLO Cc1cc(N[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000040727079 178188534 /nfs/dbraw/zinc/18/85/34/178188534.db2.gz FORLJIPMGBHXKS-KOLCDFICSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(N[C@@H](C)CF)nc(C(C)C)[nH+]1 ZINC000308897521 178179392 /nfs/dbraw/zinc/17/93/92/178179392.db2.gz AEMRIBIVDHPCTE-VIFPVBQESA-N 1 2 211.284 2.678 20 0 BFADLO Cc1cc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)nc[nH+]1 ZINC000301667960 178184345 /nfs/dbraw/zinc/18/43/45/178184345.db2.gz MNWWOGSQHLUYJA-NWANDNLSSA-N 1 2 237.306 2.535 20 0 BFADLO Cc1cc(N[C@H](C)CCc2ccco2)nc[nH+]1 ZINC000049568947 178185943 /nfs/dbraw/zinc/18/59/43/178185943.db2.gz DVXABXURQOTLQC-SNVBAGLBSA-N 1 2 231.299 2.811 20 0 BFADLO Cc1cc(Nc2ccc([NH+](C)C)c(C)c2)ncn1 ZINC000301230476 178191403 /nfs/dbraw/zinc/19/14/03/178191403.db2.gz JFFHTFVSFMDFIA-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CC1(C)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000266201374 187332442 /nfs/dbraw/zinc/33/24/42/187332442.db2.gz JMWYYVPYACCLTE-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cnc(C)s2)no1 ZINC000282596175 178228721 /nfs/dbraw/zinc/22/87/21/178228721.db2.gz HERIBXZVJLSQHY-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccccc2F)no1 ZINC000282709088 178229897 /nfs/dbraw/zinc/22/98/97/178229897.db2.gz PKSPTWDGVSWLHG-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cocn1 ZINC000170607026 361797746 /nfs/dbraw/zinc/79/77/46/361797746.db2.gz YGOJTCCJMYXSSV-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cocn1 ZINC000170607026 361797754 /nfs/dbraw/zinc/79/77/54/361797754.db2.gz YGOJTCCJMYXSSV-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO CCC(CC)CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000120094103 168357659 /nfs/dbraw/zinc/35/76/59/168357659.db2.gz FIHAVRNQKKXDIQ-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO CCCC(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000650076335 398233150 /nfs/dbraw/zinc/23/31/50/398233150.db2.gz QSRRTCBTDKPXSF-MNOVXSKESA-N 1 2 249.358 2.831 20 0 BFADLO CCCC(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000650076336 398233220 /nfs/dbraw/zinc/23/32/20/398233220.db2.gz QSRRTCBTDKPXSF-QWRGUYRKSA-N 1 2 249.358 2.831 20 0 BFADLO CCCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000650076334 398233464 /nfs/dbraw/zinc/23/34/64/398233464.db2.gz QSRRTCBTDKPXSF-GHMZBOCLSA-N 1 2 249.358 2.831 20 0 BFADLO Cc1nc(N2CCC[C@H]2C2CCC2)cc[nH+]1 ZINC000266372993 187332943 /nfs/dbraw/zinc/33/29/43/187332943.db2.gz LYAROUMZEXETCX-LBPRGKRZSA-N 1 2 217.316 2.554 20 0 BFADLO C[C@@H]([NH2+]C1(c2ccccc2F)CC1)c1ncc[nH]1 ZINC000278848511 538935201 /nfs/dbraw/zinc/93/52/01/538935201.db2.gz DTGONOSJIVUERW-SNVBAGLBSA-N 1 2 245.301 2.889 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000279098251 538935723 /nfs/dbraw/zinc/93/57/23/538935723.db2.gz VAZUTKNKKXZHIB-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2occc2C)no1 ZINC000282636418 178251358 /nfs/dbraw/zinc/25/13/58/178251358.db2.gz KDAGWHYRSHWSKF-JTQLQIEISA-N 1 2 220.272 2.735 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccccc2F)nn1C ZINC000282311729 178252026 /nfs/dbraw/zinc/25/20/26/178252026.db2.gz TVYTUYDCKLPBFU-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]2F)no1 ZINC000340524873 178254209 /nfs/dbraw/zinc/25/42/09/178254209.db2.gz CHMUTAISDZYWFH-IVZWLZJFSA-N 1 2 212.268 2.524 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281415620 538938910 /nfs/dbraw/zinc/93/89/10/538938910.db2.gz ATOIOZDSCNELOG-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281415620 538938911 /nfs/dbraw/zinc/93/89/11/538938911.db2.gz ATOIOZDSCNELOG-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO c1cncc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000649437983 398239592 /nfs/dbraw/zinc/23/95/92/398239592.db2.gz NYTWRGSFQQQYAE-UHFFFAOYSA-N 1 2 225.295 2.744 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281415615 538939249 /nfs/dbraw/zinc/93/92/49/538939249.db2.gz ATOIOZDSCNELOG-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281415615 538939250 /nfs/dbraw/zinc/93/92/50/538939250.db2.gz ATOIOZDSCNELOG-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N(C)CC(C)(C)O ZINC000092969972 178298577 /nfs/dbraw/zinc/29/85/77/178298577.db2.gz SUYADNWFUSDULX-UHFFFAOYSA-N 1 2 244.338 2.750 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](C)CCO ZINC000097442849 178299177 /nfs/dbraw/zinc/29/91/77/178299177.db2.gz UUEKAGNVUSKIRO-NSHDSACASA-N 1 2 244.338 2.974 20 0 BFADLO Cc1cc2[nH+]cn(CC3(C)COC3)c2cc1C ZINC000360727721 178305830 /nfs/dbraw/zinc/30/58/30/178305830.db2.gz ASOYBPGWWNUUJX-UHFFFAOYSA-N 1 2 230.311 2.690 20 0 BFADLO Cc1cc2[nH]c([C@@H]3CCOC3)[nH+]c2cc1C ZINC000051848163 178303375 /nfs/dbraw/zinc/30/33/75/178303375.db2.gz QODKLKBCLDXIFN-SNVBAGLBSA-N 1 2 216.284 2.684 20 0 BFADLO Oc1cccc(C[N@H+](CC(F)F)CC2CC2)c1 ZINC000171991576 346846131 /nfs/dbraw/zinc/84/61/31/346846131.db2.gz OKYBSBXEQSKWPO-UHFFFAOYSA-N 1 2 241.281 2.869 20 0 BFADLO Oc1cccc(C[N@@H+](CC(F)F)CC2CC2)c1 ZINC000171991576 346846132 /nfs/dbraw/zinc/84/61/32/346846132.db2.gz OKYBSBXEQSKWPO-UHFFFAOYSA-N 1 2 241.281 2.869 20 0 BFADLO FC(F)C[N@@H+]1CCCc2ccccc2C1 ZINC000171994355 346846204 /nfs/dbraw/zinc/84/62/04/346846204.db2.gz CMKGJGGJIYXHMF-UHFFFAOYSA-N 1 2 211.255 2.700 20 0 BFADLO FC(F)C[N@H+]1CCCc2ccccc2C1 ZINC000171994355 346846206 /nfs/dbraw/zinc/84/62/06/346846206.db2.gz CMKGJGGJIYXHMF-UHFFFAOYSA-N 1 2 211.255 2.700 20 0 BFADLO CCc1cc(N)nc(S[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000378862007 346848281 /nfs/dbraw/zinc/84/82/81/346848281.db2.gz SCPCUSKQNXRHSB-WCBMZHEXSA-N 1 2 237.372 2.732 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1C)c1ccncc1 ZINC000180623203 538958357 /nfs/dbraw/zinc/95/83/57/538958357.db2.gz QIDFKQRQALOGHZ-QMTHXVAHSA-N 1 2 244.342 2.915 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000602553032 349594633 /nfs/dbraw/zinc/59/46/33/349594633.db2.gz FHRUEBXGSXWJMN-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000334838527 398273557 /nfs/dbraw/zinc/27/35/57/398273557.db2.gz INBXAKOXNOBBHH-LBPRGKRZSA-N 1 2 239.322 2.736 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)cc2)n1 ZINC000074071584 342681317 /nfs/dbraw/zinc/68/13/17/342681317.db2.gz BKUOHLQRNIINEJ-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ccc(NC(=O)Cc2ccsc2)c(C)[nH+]1 ZINC000176193666 365686797 /nfs/dbraw/zinc/68/67/97/365686797.db2.gz GUESDUUJXQAXHA-UHFFFAOYSA-N 1 2 246.335 2.941 20 0 BFADLO CCC(CC)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281140218 168380779 /nfs/dbraw/zinc/38/07/79/168380779.db2.gz ZEHAZGFEESQIOA-UHFFFAOYSA-N 1 2 246.314 2.644 20 0 BFADLO CCC(CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119149533 168381179 /nfs/dbraw/zinc/38/11/79/168381179.db2.gz TUMBHOAGSPZITO-UHFFFAOYSA-N 1 2 221.304 2.700 20 0 BFADLO Cc1nnc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000045006701 342771298 /nfs/dbraw/zinc/77/12/98/342771298.db2.gz ZRAYVNSPAQOEAP-UHFFFAOYSA-N 1 2 249.339 2.604 20 0 BFADLO Cc1nnc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000045006701 342771299 /nfs/dbraw/zinc/77/12/99/342771299.db2.gz ZRAYVNSPAQOEAP-UHFFFAOYSA-N 1 2 249.339 2.604 20 0 BFADLO CCc1cc(NCCOc2ccccc2)nc[nH+]1 ZINC000042897025 342783725 /nfs/dbraw/zinc/78/37/25/342783725.db2.gz ABXZPAXOVGNKDX-UHFFFAOYSA-N 1 2 243.310 2.530 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](C)CC1 ZINC000562126329 323012427 /nfs/dbraw/zinc/01/24/27/323012427.db2.gz AGXULQCBTVZOFK-JTQLQIEISA-N 1 2 219.332 2.720 20 0 BFADLO C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000335291984 398284697 /nfs/dbraw/zinc/28/46/97/398284697.db2.gz MQSWWKLYDZLHAY-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000335291984 398284698 /nfs/dbraw/zinc/28/46/98/398284698.db2.gz MQSWWKLYDZLHAY-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO CCC(CC)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000372908260 168390878 /nfs/dbraw/zinc/39/08/78/168390878.db2.gz SOHJKLCCZXSIFE-ZDUSSCGKSA-N 1 2 244.342 2.672 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000623679617 398290195 /nfs/dbraw/zinc/29/01/95/398290195.db2.gz BPFSJGIYHNNXSK-UHFFFAOYSA-N 1 2 239.269 2.698 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335517639 398290313 /nfs/dbraw/zinc/29/03/13/398290313.db2.gz XVSUOZVLNARALV-GHMZBOCLSA-N 1 2 218.300 2.683 20 0 BFADLO CC(C)c1[nH+]cc(-c2cccc(CO)c2)n1C ZINC000630049382 361918334 /nfs/dbraw/zinc/91/83/34/361918334.db2.gz DFGVATZRIGYFRJ-UHFFFAOYSA-N 1 2 230.311 2.703 20 0 BFADLO Cc1[nH+]cc(-c2c(F)cc(C)cc2F)n1C ZINC000630051760 361919334 /nfs/dbraw/zinc/91/93/34/361919334.db2.gz DDUGGJKWQKAVTG-UHFFFAOYSA-N 1 2 222.238 2.982 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2C)o1 ZINC000602572600 349622606 /nfs/dbraw/zinc/62/26/06/349622606.db2.gz QJOKMVBTYPIOAC-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)([NH2+]Cc1ccc(O)cc1)C(F)F ZINC000380109741 538985581 /nfs/dbraw/zinc/98/55/81/538985581.db2.gz NVZKHAFDFKKYAR-UHFFFAOYSA-N 1 2 215.243 2.526 20 0 BFADLO C/C=C/C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000624776565 342828134 /nfs/dbraw/zinc/82/81/34/342828134.db2.gz DJPIKKBLNIKFJA-ITDFMYJTSA-N 1 2 231.343 2.968 20 0 BFADLO CCC(CC)Sc1nc(N)cc(C)[nH+]1 ZINC000148601781 168396708 /nfs/dbraw/zinc/39/67/08/168396708.db2.gz QPCBRHXFASHRDH-UHFFFAOYSA-N 1 2 211.334 2.648 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C)nc1)C(F)F ZINC000449364184 398291120 /nfs/dbraw/zinc/29/11/20/398291120.db2.gz RHRBIBDSMWSXGS-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO COc1ccsc1C[NH2+]C(C)(C)C(F)F ZINC000379945348 538982071 /nfs/dbraw/zinc/98/20/71/538982071.db2.gz QMQIZCWGYJKXDP-UHFFFAOYSA-N 1 2 235.299 2.890 20 0 BFADLO COc1ccc(C[NH+]2CC3(CC3)C2)c(Cl)c1 ZINC000449371752 398292322 /nfs/dbraw/zinc/29/23/22/398292322.db2.gz YICBKTYZNCJMGS-UHFFFAOYSA-N 1 2 237.730 2.944 20 0 BFADLO Cc1ccc(SCc2cc[nH+]c(N)c2)nc1 ZINC000193084896 539001143 /nfs/dbraw/zinc/00/11/43/539001143.db2.gz GCTICTFQCOAFKK-UHFFFAOYSA-N 1 2 231.324 2.660 20 0 BFADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000381485047 539002063 /nfs/dbraw/zinc/00/20/63/539002063.db2.gz UWGBTTBRALUCJB-XVKPBYJWSA-N 1 2 229.274 2.557 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649499354 398295516 /nfs/dbraw/zinc/29/55/16/398295516.db2.gz VNQZLEGQGNPJIH-NSHDSACASA-N 1 2 245.326 2.615 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649499354 398295517 /nfs/dbraw/zinc/29/55/17/398295517.db2.gz VNQZLEGQGNPJIH-NSHDSACASA-N 1 2 245.326 2.615 20 0 BFADLO CCc1cc(N[C@@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000381243764 538996668 /nfs/dbraw/zinc/99/66/68/538996668.db2.gz NUKGRLZKJFDRDM-SECBINFHSA-N 1 2 227.258 2.639 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CCC1(C)C)c1[nH]cc[nH+]1 ZINC000640724449 361964745 /nfs/dbraw/zinc/96/47/45/361964745.db2.gz NHXDQCJJQOBKQV-QWRGUYRKSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1ncccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000381375697 538999471 /nfs/dbraw/zinc/99/94/71/538999471.db2.gz JRHHKFMCCOTHNE-LLVKDONJSA-N 1 2 226.270 2.667 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)C1CCCC1 ZINC000625061051 342847336 /nfs/dbraw/zinc/84/73/36/342847336.db2.gz YRCJCJFAHFXBIE-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)C1CCCC1 ZINC000625061051 342847337 /nfs/dbraw/zinc/84/73/37/342847337.db2.gz YRCJCJFAHFXBIE-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625065987 342847959 /nfs/dbraw/zinc/84/79/59/342847959.db2.gz SOEYNRSUIDBYFU-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625065987 342847961 /nfs/dbraw/zinc/84/79/61/342847961.db2.gz SOEYNRSUIDBYFU-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2[C@@H](C)C2(F)F)c(C)[nH+]1 ZINC000336474934 398319397 /nfs/dbraw/zinc/31/93/97/398319397.db2.gz MLIPMMKOJDCLCS-XCBNKYQSSA-N 1 2 240.253 2.538 20 0 BFADLO CC1(C)CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625137555 342887976 /nfs/dbraw/zinc/88/79/76/342887976.db2.gz CYPMMUOLYXCZNX-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC1(C)CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625137555 342887977 /nfs/dbraw/zinc/88/79/77/342887977.db2.gz CYPMMUOLYXCZNX-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncccc2Cl)CCS1 ZINC000625139606 342889177 /nfs/dbraw/zinc/88/91/77/342889177.db2.gz WGJYVCDZGPTKLB-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncccc2Cl)CCS1 ZINC000625139606 342889178 /nfs/dbraw/zinc/88/91/78/342889178.db2.gz WGJYVCDZGPTKLB-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203290 342909320 /nfs/dbraw/zinc/90/93/20/342909320.db2.gz HTRDLEBVVWQVGJ-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203290 342909321 /nfs/dbraw/zinc/90/93/21/342909321.db2.gz HTRDLEBVVWQVGJ-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1C[C@H]1C[N@H+](CCCO)c1ccccc1 ZINC000625224672 342921130 /nfs/dbraw/zinc/92/11/30/342921130.db2.gz MVWNRRPLUPTLTP-OLZOCXBDSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@@H]1C[C@H]1C[N@@H+](CCCO)c1ccccc1 ZINC000625224672 342921131 /nfs/dbraw/zinc/92/11/31/342921131.db2.gz MVWNRRPLUPTLTP-OLZOCXBDSA-N 1 2 219.328 2.531 20 0 BFADLO Cc1ccccc1[C@H](CO)Nc1cccc[nH+]1 ZINC000531094732 398326907 /nfs/dbraw/zinc/32/69/07/398326907.db2.gz PMFGSZSLXHSDJH-ZDUSSCGKSA-N 1 2 228.295 2.536 20 0 BFADLO CC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493123974 529457076 /nfs/dbraw/zinc/45/70/76/529457076.db2.gz VVQAJKAABVHQAQ-GUOLPTJISA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000493371148 529457769 /nfs/dbraw/zinc/45/77/69/529457769.db2.gz QJFBNWJUBWEJTP-WSROAFLRSA-N 1 2 247.342 2.508 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000147723388 398339715 /nfs/dbraw/zinc/33/97/15/398339715.db2.gz DWBSQVCVSKQXLU-UHFFFAOYSA-N 1 2 210.227 2.523 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccncc2)C2CC2)o1 ZINC000162388024 349684434 /nfs/dbraw/zinc/68/44/34/349684434.db2.gz XCKRZZGXFZBTFP-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccncc2)C2CC2)o1 ZINC000162388024 349684436 /nfs/dbraw/zinc/68/44/36/349684436.db2.gz XCKRZZGXFZBTFP-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO COc1ccc[nH+]c1NCCC1(C)CC1 ZINC000527993495 262899468 /nfs/dbraw/zinc/89/94/68/262899468.db2.gz LUFGKKFUGAOVIJ-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO C/C=C/C=C\c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356133998 187212132 /nfs/dbraw/zinc/21/21/32/187212132.db2.gz XZTKOLMITOTAQC-ICWBMWKASA-N 1 2 241.294 2.953 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nc(C)c(C)s2)o1 ZINC000085696415 259339297 /nfs/dbraw/zinc/33/92/97/259339297.db2.gz OFBQVBJUKONUQS-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO Cc1[nH]c(CNc2cccc(C)c2)[nH+]c1C ZINC000521069474 259339354 /nfs/dbraw/zinc/33/93/54/259339354.db2.gz KSWIDLVAWKMBQL-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CC[C@@H]1CC[C@H]1Nc1[nH+]cccc1OC ZINC000308904566 259340560 /nfs/dbraw/zinc/34/05/60/259340560.db2.gz CEARVOCCRRXMIG-NXEZZACHSA-N 1 2 206.289 2.691 20 0 BFADLO CC[C@H]1CC[C@@H]1Nc1[nH+]cccc1OC ZINC000308904572 259340684 /nfs/dbraw/zinc/34/06/84/259340684.db2.gz CEARVOCCRRXMIG-UWVGGRQHSA-N 1 2 206.289 2.691 20 0 BFADLO C[NH2+]Cc1noc([C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000335905690 136260672 /nfs/dbraw/zinc/26/06/72/136260672.db2.gz UCCIIDHMDDFFQW-UWVGGRQHSA-N 1 2 237.347 2.719 20 0 BFADLO c1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCOC1 ZINC000362314709 187220121 /nfs/dbraw/zinc/22/01/21/187220121.db2.gz GUCQUOQHFFNNBA-ZDUSSCGKSA-N 1 2 231.339 2.866 20 0 BFADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCOC1 ZINC000362314709 187220123 /nfs/dbraw/zinc/22/01/23/187220123.db2.gz GUCQUOQHFFNNBA-ZDUSSCGKSA-N 1 2 231.339 2.866 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccsc2C)no1 ZINC000309127134 259342123 /nfs/dbraw/zinc/34/21/23/259342123.db2.gz WRKCKHWZMXXUDP-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000371307797 187221847 /nfs/dbraw/zinc/22/18/47/187221847.db2.gz IGNBRKMUDDHETB-LLVKDONJSA-N 1 2 249.358 2.599 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000371307797 187221849 /nfs/dbraw/zinc/22/18/49/187221849.db2.gz IGNBRKMUDDHETB-LLVKDONJSA-N 1 2 249.358 2.599 20 0 BFADLO c1coc([C@H]2COCC[N@H+]2[C@H]2C=CCCC2)c1 ZINC000375791207 187225350 /nfs/dbraw/zinc/22/53/50/187225350.db2.gz LOEZUYFGDMGBOL-QWHCGFSZSA-N 1 2 233.311 2.762 20 0 BFADLO c1coc([C@H]2COCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000375791207 187225352 /nfs/dbraw/zinc/22/53/52/187225352.db2.gz LOEZUYFGDMGBOL-QWHCGFSZSA-N 1 2 233.311 2.762 20 0 BFADLO c1cc(NC(C2CC2)C2CC2)nc(C2CC2)[nH+]1 ZINC000170624614 187226879 /nfs/dbraw/zinc/22/68/79/187226879.db2.gz KSUNQDVEDPOONO-UHFFFAOYSA-N 1 2 229.327 2.955 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccco2)n1 ZINC000085161068 343083876 /nfs/dbraw/zinc/08/38/76/343083876.db2.gz HCYJYQQLWLAALJ-NSHDSACASA-N 1 2 233.315 2.908 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H](C)C1 ZINC000122480434 343159333 /nfs/dbraw/zinc/15/93/33/343159333.db2.gz DVVMIYGHNYHTMH-NXEZZACHSA-N 1 2 206.289 2.691 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H](C)C1 ZINC000122480633 343159683 /nfs/dbraw/zinc/15/96/83/343159683.db2.gz DVVMIYGHNYHTMH-VHSXEESVSA-N 1 2 206.289 2.691 20 0 BFADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nnsc1Cl ZINC000124596217 343163489 /nfs/dbraw/zinc/16/34/89/343163489.db2.gz ODAJGVYBHWEIEV-HTQZYQBOSA-N 1 2 245.779 2.954 20 0 BFADLO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnsc1Cl ZINC000124596217 343163491 /nfs/dbraw/zinc/16/34/91/343163491.db2.gz ODAJGVYBHWEIEV-HTQZYQBOSA-N 1 2 245.779 2.954 20 0 BFADLO O=C(C[C@H]1C=CCC1)Nc1c[nH+]c2n1CCCC2 ZINC000334635644 136292841 /nfs/dbraw/zinc/29/28/41/136292841.db2.gz RTUNOIFHARGBJO-NSHDSACASA-N 1 2 245.326 2.514 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347959664 136293497 /nfs/dbraw/zinc/29/34/97/136293497.db2.gz NBAWMIWIJXBAPD-WDEREUQCSA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(OC)cc1 ZINC000037067470 343332664 /nfs/dbraw/zinc/33/26/64/343332664.db2.gz HVSQUMXZYDOSQW-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(OC)cc1 ZINC000037067468 343332683 /nfs/dbraw/zinc/33/26/83/343332683.db2.gz HVSQUMXZYDOSQW-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO COC(=O)C(C)(C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000037085510 343333472 /nfs/dbraw/zinc/33/34/72/343333472.db2.gz JNYROLCSMJAXJC-LBPRGKRZSA-N 1 2 249.354 2.549 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)[C@H]1C ZINC000335607610 136298718 /nfs/dbraw/zinc/29/87/18/136298718.db2.gz ATLMUEUMXSDEGD-YUMQZZPRSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)[C@H]1C ZINC000335607610 136298719 /nfs/dbraw/zinc/29/87/19/136298719.db2.gz ATLMUEUMXSDEGD-YUMQZZPRSA-N 1 2 245.273 2.628 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)CC)cc1CO ZINC000037901552 343360125 /nfs/dbraw/zinc/36/01/25/343360125.db2.gz FGWCKHWYXNACOO-SNVBAGLBSA-N 1 2 223.316 2.788 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000037989201 343364305 /nfs/dbraw/zinc/36/43/05/343364305.db2.gz QIEVDNSVGUJZGL-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000037304465 343343164 /nfs/dbraw/zinc/34/31/64/343343164.db2.gz JLVGOPXKISSAEZ-UHFFFAOYSA-N 1 2 249.354 2.653 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2C[C@H](C)[C@H]2C)[nH+]1 ZINC000631296908 343392178 /nfs/dbraw/zinc/39/21/78/343392178.db2.gz QUMTVHHTINBUOT-VHSXEESVSA-N 1 2 244.342 2.926 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3cc(C)ccc3C2)o1 ZINC000335720838 136345844 /nfs/dbraw/zinc/34/58/44/136345844.db2.gz ZDFCANWYJZDCTJ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3cc(C)ccc3C2)o1 ZINC000335720838 136345845 /nfs/dbraw/zinc/34/58/45/136345845.db2.gz ZDFCANWYJZDCTJ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Clc1ccc2c(c1)[C@@H]([NH+]1CCOCC1)CC2 ZINC000335721214 136345995 /nfs/dbraw/zinc/34/59/95/136345995.db2.gz QTPYCTQGYMRNSX-ZDUSSCGKSA-N 1 2 237.730 2.660 20 0 BFADLO Cc1ccc(NC(=O)N2CCC23CCC3)c(C)[nH+]1 ZINC000335730415 136348665 /nfs/dbraw/zinc/34/86/65/136348665.db2.gz RFANMZGMTSCPPG-UHFFFAOYSA-N 1 2 245.326 2.859 20 0 BFADLO CCC(C)(C)c1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641088932 362212821 /nfs/dbraw/zinc/21/28/21/362212821.db2.gz LDAHMDOAODAPEV-UHFFFAOYSA-N 1 2 244.342 2.717 20 0 BFADLO Cc1ccc(NC(=O)c2ncccc2C)c(C)[nH+]1 ZINC000335685743 136330245 /nfs/dbraw/zinc/33/02/45/136330245.db2.gz XVHCLQGICBQFPS-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO FC(F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000335706629 136335962 /nfs/dbraw/zinc/33/59/62/136335962.db2.gz NTAZSDQIJIGNIL-UHFFFAOYSA-N 1 2 208.211 2.869 20 0 BFADLO CCc1cc(N[C@@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000070832898 343435522 /nfs/dbraw/zinc/43/55/22/343435522.db2.gz AMQAITVHRXTZFF-GXSJLCMTSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)o1 ZINC000350519384 136361916 /nfs/dbraw/zinc/36/19/16/136361916.db2.gz YXQBBIBRWCIYGT-PWSUYJOCSA-N 1 2 247.342 2.603 20 0 BFADLO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)C1CCCC1 ZINC000350519327 136361973 /nfs/dbraw/zinc/36/19/73/136361973.db2.gz YFSMAFUNQZXWJJ-NEPJUHHUSA-N 1 2 235.375 2.519 20 0 BFADLO CCC[C@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000570049794 323048173 /nfs/dbraw/zinc/04/81/73/323048173.db2.gz IHQFLNOQXIDJIS-RYUDHWBXSA-N 1 2 237.347 2.529 20 0 BFADLO CCOC(C)(C)C[NH2+]Cc1ccc(Cl)o1 ZINC000166942654 136367932 /nfs/dbraw/zinc/36/79/32/136367932.db2.gz ZRCQSBWZJMRLSM-UHFFFAOYSA-N 1 2 231.723 2.838 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000351107851 136367949 /nfs/dbraw/zinc/36/79/49/136367949.db2.gz ZJMMTXCPHIVKDB-HNNXBMFYSA-N 1 2 233.355 2.852 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000351107851 136367950 /nfs/dbraw/zinc/36/79/50/136367950.db2.gz ZJMMTXCPHIVKDB-HNNXBMFYSA-N 1 2 233.355 2.852 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(SC)CC1 ZINC000602921149 349811071 /nfs/dbraw/zinc/81/10/71/349811071.db2.gz PXMGHZGAXDRTGN-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC[C@@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514670 343562818 /nfs/dbraw/zinc/56/28/18/343562818.db2.gz RUQURBCBRDKHMA-LLVKDONJSA-N 1 2 243.310 2.857 20 0 BFADLO CC[C@@H]([NH2+]Cc1noc(C)n1)c1ccc(C)cc1 ZINC000181684702 259364716 /nfs/dbraw/zinc/36/47/16/259364716.db2.gz YNTVXKKCMBSQGB-CYBMUJFWSA-N 1 2 245.326 2.927 20 0 BFADLO Cc1cccc(CNc2ccc(CO)c[nH+]2)c1C ZINC000283955589 187343793 /nfs/dbraw/zinc/34/37/93/187343793.db2.gz IEKGJYYXSOBLJH-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1cc(CNC(=O)[C@H](C)C(C)(C)C)cc(C)[nH+]1 ZINC000421573623 192363897 /nfs/dbraw/zinc/36/38/97/192363897.db2.gz BSUVTONOMWBSSX-LBPRGKRZSA-N 1 2 248.370 2.997 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574179 192364042 /nfs/dbraw/zinc/36/40/42/192364042.db2.gz DTQGNAITOWLIQR-ZWNOBZJWSA-N 1 2 248.370 2.997 20 0 BFADLO C[C@@H]([NH2+]CC(C)(F)F)c1cncc(F)c1 ZINC000382293719 349838207 /nfs/dbraw/zinc/83/82/07/349838207.db2.gz LOZCZYMLMJPUJC-SSDOTTSWSA-N 1 2 218.222 2.527 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CC1CC1 ZINC000287503843 187346579 /nfs/dbraw/zinc/34/65/79/187346579.db2.gz LSYWVROUNRQQJU-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO Clc1ccc(C[NH+]2CCSCC2)s1 ZINC000047988656 343685687 /nfs/dbraw/zinc/68/56/87/343685687.db2.gz KCCZVQBKPMKVJB-UHFFFAOYSA-N 1 2 233.789 2.950 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574359 192364315 /nfs/dbraw/zinc/36/43/15/192364315.db2.gz FPDDVYWCLLQPJH-HIFRSBDPSA-N 1 2 246.354 2.751 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000625438470 343739989 /nfs/dbraw/zinc/73/99/89/343739989.db2.gz TWYIVTHHWFKVPK-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCc2nc[nH]c2C1 ZINC000625438470 343739991 /nfs/dbraw/zinc/73/99/91/343739991.db2.gz TWYIVTHHWFKVPK-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000624398374 343752877 /nfs/dbraw/zinc/75/28/77/343752877.db2.gz DYOHHAOOKDXPIK-WOPDTQHZSA-N 1 2 232.327 2.938 20 0 BFADLO CNc1cc(N[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000128321221 343787671 /nfs/dbraw/zinc/78/76/71/343787671.db2.gz MUTXHBBYUHJZQN-JTQLQIEISA-N 1 2 228.299 2.691 20 0 BFADLO CNc1cc(N[C@@H](C)c2ccccc2)[nH+]cn1 ZINC000128321221 343787673 /nfs/dbraw/zinc/78/76/73/343787673.db2.gz MUTXHBBYUHJZQN-JTQLQIEISA-N 1 2 228.299 2.691 20 0 BFADLO FC(F)C[N@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000066539718 349874121 /nfs/dbraw/zinc/87/41/21/349874121.db2.gz HRUOCBVHZZWMBM-SECBINFHSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)C[N@@H+](C1CC1)[C@@H]1C=CCCC1 ZINC000066539718 349874123 /nfs/dbraw/zinc/87/41/23/349874123.db2.gz HRUOCBVHZZWMBM-SECBINFHSA-N 1 2 201.260 2.825 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)c1[nH]cc[nH+]1 ZINC000387659450 346995790 /nfs/dbraw/zinc/99/57/90/346995790.db2.gz HAEMAMSFBOGHPP-UTUOFQBUSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1cccc2c1C[C@H](Nc1cccc[nH+]1)CO2 ZINC000624472954 343896014 /nfs/dbraw/zinc/89/60/14/343896014.db2.gz WKWVRBSRTOWWAX-LBPRGKRZSA-N 1 2 240.306 2.806 20 0 BFADLO CCC[C@H](C)C[N@H+](CCOC)CC(F)F ZINC000180013988 347009090 /nfs/dbraw/zinc/00/90/90/347009090.db2.gz HLYNRJJEMHPIDL-JTQLQIEISA-N 1 2 223.307 2.636 20 0 BFADLO CCC[C@H](C)C[N@@H+](CCOC)CC(F)F ZINC000180013988 347009093 /nfs/dbraw/zinc/00/90/93/347009093.db2.gz HLYNRJJEMHPIDL-JTQLQIEISA-N 1 2 223.307 2.636 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCC12CCCC2 ZINC000625509965 343913812 /nfs/dbraw/zinc/91/38/12/343913812.db2.gz FZHSNWQXQXAVEZ-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCC12CCCC2 ZINC000625509965 343913813 /nfs/dbraw/zinc/91/38/13/343913813.db2.gz FZHSNWQXQXAVEZ-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000625519629 343916752 /nfs/dbraw/zinc/91/67/52/343916752.db2.gz ONMLZSOIFOLDPT-RYUDHWBXSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000625519629 343916754 /nfs/dbraw/zinc/91/67/54/343916754.db2.gz ONMLZSOIFOLDPT-RYUDHWBXSA-N 1 2 247.342 2.712 20 0 BFADLO Cc1noc(C)c1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000078259884 343935246 /nfs/dbraw/zinc/93/52/46/343935246.db2.gz MWZIVURKFCXEAI-ZETCQYMHSA-N 1 2 232.287 2.563 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000628121207 343973605 /nfs/dbraw/zinc/97/36/05/343973605.db2.gz WLNKCEXFTRMLMH-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@H](C)c2ccccc2)n1 ZINC000628121207 343973607 /nfs/dbraw/zinc/97/36/07/343973607.db2.gz WLNKCEXFTRMLMH-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726742 344058106 /nfs/dbraw/zinc/05/81/06/344058106.db2.gz LAACMLPMRHYMRN-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726742 344058107 /nfs/dbraw/zinc/05/81/07/344058107.db2.gz LAACMLPMRHYMRN-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727488 344058788 /nfs/dbraw/zinc/05/87/88/344058788.db2.gz XYRPNOMVHNWNKJ-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727488 344058789 /nfs/dbraw/zinc/05/87/89/344058789.db2.gz XYRPNOMVHNWNKJ-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO Cc1c[nH]c(CN(C)[C@H](C)c2ccco2)[nH+]1 ZINC000628132252 344166763 /nfs/dbraw/zinc/16/67/63/344166763.db2.gz AQGCBXLDPCNPGL-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO Cc1nc2[nH]ccc2c(NCc2ccsc2)[nH+]1 ZINC000080947716 344135467 /nfs/dbraw/zinc/13/54/67/344135467.db2.gz IZMKVYJVLABDCF-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO CC[N@H+](Cc1ccon1)[C@H](C)c1cccc(O)c1 ZINC000080933125 344135471 /nfs/dbraw/zinc/13/54/71/344135471.db2.gz JFMBYLADJRUAKM-LLVKDONJSA-N 1 2 246.310 2.963 20 0 BFADLO CC[N@@H+](Cc1ccon1)[C@H](C)c1cccc(O)c1 ZINC000080933125 344135473 /nfs/dbraw/zinc/13/54/73/344135473.db2.gz JFMBYLADJRUAKM-LLVKDONJSA-N 1 2 246.310 2.963 20 0 BFADLO CC[N@H+](Cc1ccon1)[C@@H](C)c1cccc(O)c1 ZINC000080933122 344135662 /nfs/dbraw/zinc/13/56/62/344135662.db2.gz JFMBYLADJRUAKM-NSHDSACASA-N 1 2 246.310 2.963 20 0 BFADLO CC[N@@H+](Cc1ccon1)[C@@H](C)c1cccc(O)c1 ZINC000080933122 344135664 /nfs/dbraw/zinc/13/56/64/344135664.db2.gz JFMBYLADJRUAKM-NSHDSACASA-N 1 2 246.310 2.963 20 0 BFADLO CCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641305773 362355271 /nfs/dbraw/zinc/35/52/71/362355271.db2.gz NZKLTEILCCPAGT-UHFFFAOYSA-N 1 2 208.280 2.847 20 0 BFADLO C/C=C\CNc1[nH+]ccc(C)c1Br ZINC000384912249 344233196 /nfs/dbraw/zinc/23/31/96/344233196.db2.gz YQOHZEVBNUDSIQ-ARJAWSKDSA-N 1 2 241.132 2.562 20 0 BFADLO CC[N@H+](Cc1ncc(C)s1)Cc1ccccn1 ZINC000180541387 347032711 /nfs/dbraw/zinc/03/27/11/347032711.db2.gz GBLGZVYYPCUUAA-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1ncc(C)s1)Cc1ccccn1 ZINC000180541387 347032715 /nfs/dbraw/zinc/03/27/15/347032715.db2.gz GBLGZVYYPCUUAA-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC(C)(C)C[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641319429 362364274 /nfs/dbraw/zinc/36/42/74/362364274.db2.gz KGMAWARNXCIIEL-CYBMUJFWSA-N 1 2 248.370 2.979 20 0 BFADLO CC[N@H+](Cc1cnc[nH]1)[C@H](C)c1cccc(O)c1 ZINC000091975049 344287248 /nfs/dbraw/zinc/28/72/48/344287248.db2.gz OEZYRXBZGLACSG-LLVKDONJSA-N 1 2 245.326 2.698 20 0 BFADLO CC[N@@H+](Cc1cnc[nH]1)[C@H](C)c1cccc(O)c1 ZINC000091975049 344287250 /nfs/dbraw/zinc/28/72/50/344287250.db2.gz OEZYRXBZGLACSG-LLVKDONJSA-N 1 2 245.326 2.698 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(CO)cc[nH+]2)CC1 ZINC000641366259 362379109 /nfs/dbraw/zinc/37/91/09/362379109.db2.gz YLVQNJACFBOZIR-UMSPYCQHSA-N 1 2 220.316 2.565 20 0 BFADLO COc1cccc([C@H](C)[N@H+](C)Cc2ncc[nH]2)c1 ZINC000600630141 344345447 /nfs/dbraw/zinc/34/54/47/344345447.db2.gz KVGPYZIXBASBDP-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO COc1cccc([C@H](C)[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000600630141 344345449 /nfs/dbraw/zinc/34/54/49/344345449.db2.gz KVGPYZIXBASBDP-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO C[C@H](Nc1cc(CO)cc[nH+]1)C1CCCC1 ZINC000641377041 362380947 /nfs/dbraw/zinc/38/09/47/362380947.db2.gz QFUBDHPUYHQSLX-JTQLQIEISA-N 1 2 220.316 2.565 20 0 BFADLO CC(C)([NH2+]Cc1ccc(C#N)cc1)C(F)F ZINC000381376659 344498864 /nfs/dbraw/zinc/49/88/64/344498864.db2.gz JFXIDTGISNKYBN-UHFFFAOYSA-N 1 2 224.254 2.692 20 0 BFADLO CCCCCOC1CN(c2cc[nH+]cc2F)C1 ZINC000641422292 362406681 /nfs/dbraw/zinc/40/66/81/362406681.db2.gz FNIKKBFAZCKEKL-UHFFFAOYSA-N 1 2 238.306 2.616 20 0 BFADLO CC(C)(C)C(=O)CSCc1ccc[nH+]c1N ZINC000603317725 349913006 /nfs/dbraw/zinc/91/30/06/349913006.db2.gz BPIUITBFCCMTQD-UHFFFAOYSA-N 1 2 238.356 2.512 20 0 BFADLO CC1(C)CN(c2cc[nH+]cc2F)CC(C)(C)O1 ZINC000641524471 362474274 /nfs/dbraw/zinc/47/42/74/362474274.db2.gz MHZGBVUGTYWSSO-UHFFFAOYSA-N 1 2 238.306 2.615 20 0 BFADLO CC(C)c1c[nH]c(SCc2ccc[nH+]c2N)n1 ZINC000641535802 362486340 /nfs/dbraw/zinc/48/63/40/362486340.db2.gz SEJZXOBKBHJMPL-UHFFFAOYSA-N 1 2 248.355 2.803 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCN1c1cc[nH+]cc1F ZINC000641546000 362494177 /nfs/dbraw/zinc/49/41/77/362494177.db2.gz SEZKKTATAXLRKJ-JGVFFNPUSA-N 1 2 248.223 2.998 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nnsc2Cl)[C@@H](C)[C@H]1C ZINC000306956850 344640142 /nfs/dbraw/zinc/64/01/42/344640142.db2.gz SFBPMQOGOLMBSJ-CSMHCCOUSA-N 1 2 245.779 2.668 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nnsc2Cl)[C@@H](C)[C@H]1C ZINC000306956850 344640145 /nfs/dbraw/zinc/64/01/45/344640145.db2.gz SFBPMQOGOLMBSJ-CSMHCCOUSA-N 1 2 245.779 2.668 20 0 BFADLO CC(C)SCC[N@@H+]1Cc2cccnc2C1 ZINC000578188188 344722552 /nfs/dbraw/zinc/72/25/52/344722552.db2.gz ACIYVAKOCRGGRB-UHFFFAOYSA-N 1 2 222.357 2.539 20 0 BFADLO CC(C)SCC[N@H+]1Cc2cccnc2C1 ZINC000578188188 344722553 /nfs/dbraw/zinc/72/25/53/344722553.db2.gz ACIYVAKOCRGGRB-UHFFFAOYSA-N 1 2 222.357 2.539 20 0 BFADLO CCC(C)(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533050 344774013 /nfs/dbraw/zinc/77/40/13/344774013.db2.gz FPWSHDJUUGRPBQ-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO CCSCc1cn2c(cccc2C)[nH+]1 ZINC000192708717 365801995 /nfs/dbraw/zinc/80/19/95/365801995.db2.gz IWLMXSLKUCTOGL-UHFFFAOYSA-N 1 2 206.314 2.896 20 0 BFADLO Cc1cc(N(C)Cc2ccco2)nc(C2CC2)[nH+]1 ZINC000110100195 187293346 /nfs/dbraw/zinc/29/33/46/187293346.db2.gz JHEOOCTZKVQIPR-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO Clc1cccnc1NCCNc1cccc[nH+]1 ZINC000078256740 344836941 /nfs/dbraw/zinc/83/69/41/344836941.db2.gz OGZYGHJKZOSFNS-UHFFFAOYSA-N 1 2 248.717 2.654 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2CCCS2)c(C)[nH+]1 ZINC000119307349 178749582 /nfs/dbraw/zinc/74/95/82/178749582.db2.gz SIGLWMDQXMRQDB-LLVKDONJSA-N 1 2 236.340 2.533 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3ccccc3[C@H]2C)n1 ZINC000628164111 344871561 /nfs/dbraw/zinc/87/15/61/344871561.db2.gz DMABLKSZILIEOW-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3ccccc3[C@H]2C)n1 ZINC000628164111 344871563 /nfs/dbraw/zinc/87/15/63/344871563.db2.gz DMABLKSZILIEOW-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO CC[N@H+](Cc1cn[nH]c1C)Cc1cccc(F)c1 ZINC000120022730 344873951 /nfs/dbraw/zinc/87/39/51/344873951.db2.gz CZANEMXJIAECMT-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1cn[nH]c1C)Cc1cccc(F)c1 ZINC000120022730 344873952 /nfs/dbraw/zinc/87/39/52/344873952.db2.gz CZANEMXJIAECMT-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC(C)[C@H]1CN(c2cccc[nH+]2)CCS1 ZINC000078578789 344885770 /nfs/dbraw/zinc/88/57/70/344885770.db2.gz CGFLFCOICGNIMK-LLVKDONJSA-N 1 2 222.357 2.659 20 0 BFADLO CCCCc1cc(N[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000631094035 344934861 /nfs/dbraw/zinc/93/48/61/344934861.db2.gz RHLQZPNQHNIELD-CHWSQXEVSA-N 1 2 249.358 2.535 20 0 BFADLO Cc1csc(C[NH2+]Cc2cnc(C3CC3)o2)n1 ZINC000628201741 344977228 /nfs/dbraw/zinc/97/72/28/344977228.db2.gz RVJARVJBLPGJBX-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CO[C@H]1CCC[C@H](Nc2ccc(C)[nH+]c2)C1 ZINC000234832297 537878797 /nfs/dbraw/zinc/87/87/97/537878797.db2.gz NYVBABOWBKFWQR-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO CCCC[C@@H](COC)Nc1cc[nH+]c(C2CC2)n1 ZINC000123123932 344986283 /nfs/dbraw/zinc/98/62/83/344986283.db2.gz DAOGPPKHAICREJ-LBPRGKRZSA-N 1 2 249.358 2.971 20 0 BFADLO c1ccc2c(c1)[nH]c1nc[nH+]c(NCC3CC3)c21 ZINC000579435614 344987292 /nfs/dbraw/zinc/98/72/92/344987292.db2.gz UCNSYUYYLASFSA-UHFFFAOYSA-N 1 2 238.294 2.933 20 0 BFADLO Fc1c[nH+]ccc1NCC1CCC(F)(F)CC1 ZINC000641556131 362500128 /nfs/dbraw/zinc/50/01/28/362500128.db2.gz UQDBGMCJIDWTQY-UHFFFAOYSA-N 1 2 244.260 2.880 20 0 BFADLO Cc1ccc(N[C@H](C)c2ccncc2)c[nH+]1 ZINC000154230883 345021821 /nfs/dbraw/zinc/02/18/21/345021821.db2.gz VRJFSYAWEUNZCI-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO O[C@H]1CCCC[C@@H]1CCCNc1cccc[nH+]1 ZINC000154514903 345039607 /nfs/dbraw/zinc/03/96/07/345039607.db2.gz NYZNRPSWPADDCS-OLZOCXBDSA-N 1 2 234.343 2.825 20 0 BFADLO Cc1cc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)nc[nH+]1 ZINC000155305005 345077079 /nfs/dbraw/zinc/07/70/79/345077079.db2.gz MNWWOGSQHLUYJA-VHDGCEQUSA-N 1 2 237.306 2.535 20 0 BFADLO Fc1ccc2nc(N3CCCC[NH2+]3)sc2c1 ZINC000641594081 362535650 /nfs/dbraw/zinc/53/56/50/362535650.db2.gz DBVHPPSSXJXSTF-UHFFFAOYSA-N 1 2 237.303 2.540 20 0 BFADLO OCc1cc[nH+]c(N2CC[C@@H](C3CCCC3)C2)c1 ZINC000641641346 362571073 /nfs/dbraw/zinc/57/10/73/362571073.db2.gz VYMICDQYCLOBIV-CQSZACIVSA-N 1 2 246.354 2.590 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](CC)O1 ZINC000641641538 362571150 /nfs/dbraw/zinc/57/11/50/362571150.db2.gz ZTODKPGGOKQVIK-PHIMTYICSA-N 1 2 238.306 2.615 20 0 BFADLO CC(C)O[C@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641650479 362576350 /nfs/dbraw/zinc/57/63/50/362576350.db2.gz QNVUNYJWTVUUJQ-NSHDSACASA-N 1 2 238.306 2.615 20 0 BFADLO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccon1 ZINC000634977667 345153877 /nfs/dbraw/zinc/15/38/77/345153877.db2.gz IATFDRGEJOEPQR-CYBMUJFWSA-N 1 2 244.294 2.596 20 0 BFADLO Cc1nc(N[C@@H]2C[C@]2(F)c2ccccc2)cc[nH+]1 ZINC000425273452 192087308 /nfs/dbraw/zinc/08/73/08/192087308.db2.gz OKNUSQMVEWWTFP-OCCSQVGLSA-N 1 2 243.285 2.834 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@]2(F)c2ccccc2)nc[nH+]1 ZINC000425274007 192087617 /nfs/dbraw/zinc/08/76/17/192087617.db2.gz QAGXECRHXZTOEK-TZMCWYRMSA-N 1 2 243.285 2.834 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1CCC=CCC1 ZINC000635457536 345380244 /nfs/dbraw/zinc/38/02/44/345380244.db2.gz GTBPLCSJDVNKMB-UHFFFAOYSA-N 1 2 246.310 2.775 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)CC2CCC2)[nH+]1 ZINC000080982137 345458481 /nfs/dbraw/zinc/45/84/81/345458481.db2.gz ZBTCJUIIPCGHJJ-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO COC[C@@H](Nc1cccc[nH+]1)c1ccc(C)o1 ZINC000081009646 345461015 /nfs/dbraw/zinc/46/10/15/345461015.db2.gz BFVBZYBOSJXNKL-LLVKDONJSA-N 1 2 232.283 2.783 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000136148462 345480908 /nfs/dbraw/zinc/48/09/08/345480908.db2.gz BNDIUCAYSISBRY-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000136148462 345480909 /nfs/dbraw/zinc/48/09/09/345480909.db2.gz BNDIUCAYSISBRY-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cn1cc[nH+]c1CSc1cccc(F)c1 ZINC000084841563 345526826 /nfs/dbraw/zinc/52/68/26/345526826.db2.gz BMSPHHIDZISVMR-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO CC(C)c1cc(N[C@@H](C)CO)nc(C(C)C)[nH+]1 ZINC000090070117 345564928 /nfs/dbraw/zinc/56/49/28/345564928.db2.gz ZOFFJNYLGZNLFO-JTQLQIEISA-N 1 2 237.347 2.516 20 0 BFADLO CCCC[C@H](CC)CC[N@H+](C)Cc1nnc[nH]1 ZINC000435283486 537903441 /nfs/dbraw/zinc/90/34/41/537903441.db2.gz YEAQUDDWIQMRMA-LBPRGKRZSA-N 1 2 238.379 2.843 20 0 BFADLO CCCC[C@H](CC)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000435283486 537903453 /nfs/dbraw/zinc/90/34/53/537903453.db2.gz YEAQUDDWIQMRMA-LBPRGKRZSA-N 1 2 238.379 2.843 20 0 BFADLO COc1ccc([C@@H](C)[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000179937543 187308600 /nfs/dbraw/zinc/30/86/00/187308600.db2.gz NLTUICGSZAHFTQ-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841703 345666635 /nfs/dbraw/zinc/66/66/35/345666635.db2.gz VPBKTTKXDNALOP-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1ccoc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000093841703 345666641 /nfs/dbraw/zinc/66/66/41/345666641.db2.gz VPBKTTKXDNALOP-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1cc(N2CCCC[C@@H]2C(C)C)nc[nH+]1 ZINC000092913514 345647709 /nfs/dbraw/zinc/64/77/09/345647709.db2.gz BEVKRSNTZGUUCL-GFCCVEGCSA-N 1 2 219.332 2.800 20 0 BFADLO Fc1c[nH+]ccc1N1CCCC(F)(F)CC1 ZINC000641678282 362599958 /nfs/dbraw/zinc/59/99/58/362599958.db2.gz UXXYBOISQFWQKK-UHFFFAOYSA-N 1 2 230.233 2.846 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000093323517 345652035 /nfs/dbraw/zinc/65/20/35/345652035.db2.gz CWAQBHDIGYTFRS-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000093323517 345652037 /nfs/dbraw/zinc/65/20/37/345652037.db2.gz CWAQBHDIGYTFRS-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1ncc([C@@H](C)Nc2cc[nH+]cc2F)s1 ZINC000641681183 362602963 /nfs/dbraw/zinc/60/29/63/362602963.db2.gz BCZJPYMDADRZRA-SSDOTTSWSA-N 1 2 237.303 2.581 20 0 BFADLO Clc1ccc(COc2cc[nH+]cc2)nc1 ZINC000113109931 345691283 /nfs/dbraw/zinc/69/12/83/345691283.db2.gz QXYNGUGSJCNMAV-UHFFFAOYSA-N 1 2 220.659 2.709 20 0 BFADLO CC(C)[C@H]([NH2+]CC[C@@H]1CCOC1)C(F)(F)F ZINC000309367201 187309454 /nfs/dbraw/zinc/30/94/54/187309454.db2.gz PSDUPEWXPJHYRJ-ZJUUUORDSA-N 1 2 239.281 2.590 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H]1C(C)C ZINC000381412007 345813379 /nfs/dbraw/zinc/81/33/79/345813379.db2.gz UWRHNQGEQOBDQZ-WDEREUQCSA-N 1 2 220.316 2.937 20 0 BFADLO Clc1ccc(Cl)c(Cn2cc[nH+]c2)n1 ZINC000061638244 345786125 /nfs/dbraw/zinc/78/61/25/345786125.db2.gz DDOCBABPIXAPOS-UHFFFAOYSA-N 1 2 228.082 2.633 20 0 BFADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ncc[nH]1 ZINC000138959364 345790256 /nfs/dbraw/zinc/79/02/56/345790256.db2.gz RSVZFRBESDBORC-JFGNBEQYSA-N 1 2 245.326 2.977 20 0 BFADLO CCc1cc(N(C)CCC(C)C)nc[nH+]1 ZINC000603383481 349940689 /nfs/dbraw/zinc/94/06/89/349940689.db2.gz CCNIFJRHICUVOU-UHFFFAOYSA-N 1 2 207.321 2.521 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1nccs1 ZINC000628217915 345946540 /nfs/dbraw/zinc/94/65/40/345946540.db2.gz NAWMSUVQUXPLIC-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO CCC(CC)C[N@H+](CCOC)CC(F)F ZINC000130221691 535019766 /nfs/dbraw/zinc/01/97/66/535019766.db2.gz DVDJCPROCLSFDV-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCC(CC)C[N@@H+](CCOC)CC(F)F ZINC000130221691 535019771 /nfs/dbraw/zinc/01/97/71/535019771.db2.gz DVDJCPROCLSFDV-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC1(OC)CCC1 ZINC000419005482 192097406 /nfs/dbraw/zinc/09/74/06/192097406.db2.gz ZJUVQVKIRDKBSF-UHFFFAOYSA-N 1 2 235.327 2.900 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)[C@@H](C)[C@H]2C)[nH+]1 ZINC000419005254 192097496 /nfs/dbraw/zinc/09/74/96/192097496.db2.gz GBFDGIIXTTYIJV-IVZWLZJFSA-N 1 2 244.342 2.747 20 0 BFADLO CC(C)=C(C)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000635994676 346144304 /nfs/dbraw/zinc/14/43/04/346144304.db2.gz IDIHCSQZTUUGAJ-NEPJUHHUSA-N 1 2 247.342 2.752 20 0 BFADLO CC(C)=C(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000635997771 346149461 /nfs/dbraw/zinc/14/94/61/346149461.db2.gz IKGAGKVLOMDDOE-UHFFFAOYSA-N 1 2 235.331 2.507 20 0 BFADLO Cc1c[nH]c(CN2CCCc3c(F)cccc32)[nH+]1 ZINC000628235884 346189835 /nfs/dbraw/zinc/18/98/35/346189835.db2.gz GODWADZYGUDLJR-UHFFFAOYSA-N 1 2 245.301 2.810 20 0 BFADLO Cc1[nH]c(CN(C)[C@H](C)c2cccnc2)[nH+]c1C ZINC000628237514 346193306 /nfs/dbraw/zinc/19/33/06/346193306.db2.gz PUFYXHXJJBJTCV-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000628237720 346193915 /nfs/dbraw/zinc/19/39/15/346193915.db2.gz WTJMSQFNMLJOJY-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000628237720 346193917 /nfs/dbraw/zinc/19/39/17/346193917.db2.gz WTJMSQFNMLJOJY-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[NH2+]Cc2nc(C3CC3)cs2)on1 ZINC000631092354 346221999 /nfs/dbraw/zinc/22/19/99/346221999.db2.gz WVKPCTJPNIMJCY-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CSCc1cnc(C[NH2+]CC(C)(C)F)s1 ZINC000601136467 346261003 /nfs/dbraw/zinc/26/10/03/346261003.db2.gz FHMHQWDTZSBWGU-UHFFFAOYSA-N 1 2 248.392 2.844 20 0 BFADLO Cc1[nH]c(CN2CCc3cccc(F)c32)[nH+]c1C ZINC000628281445 346293561 /nfs/dbraw/zinc/29/35/61/346293561.db2.gz ZZSNOICYEKFLKD-UHFFFAOYSA-N 1 2 245.301 2.728 20 0 BFADLO Cc1c[nH]c(CN2CCCOc3ccccc32)[nH+]1 ZINC000628283879 346295260 /nfs/dbraw/zinc/29/52/60/346295260.db2.gz PZGNKYLPTGXOKU-UHFFFAOYSA-N 1 2 243.310 2.507 20 0 BFADLO Cc1[nH]c(CN2CC(C)(C)[C@H]2C2CC2)[nH+]c1C ZINC000628285713 346296691 /nfs/dbraw/zinc/29/66/91/346296691.db2.gz DIIYYKASKZKJSS-CYBMUJFWSA-N 1 2 233.359 2.647 20 0 BFADLO Cc1ccsc1CN(C)c1cc[nH+]c(C)n1 ZINC000334931191 187319523 /nfs/dbraw/zinc/31/95/23/187319523.db2.gz YBIGFPCFTCXEFC-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(F)(F)F ZINC000628281863 346291825 /nfs/dbraw/zinc/29/18/25/346291825.db2.gz CORKNEAPXVYJAT-NTSWFWBYSA-N 1 2 231.208 2.961 20 0 BFADLO c1[nH]cc(N[C@H]2CCCC[C@H]2C2CC2)[nH+]1 ZINC000309087413 349951001 /nfs/dbraw/zinc/95/10/01/349951001.db2.gz ZNRIYLOCBYMMHF-QWRGUYRKSA-N 1 2 205.305 2.790 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000336257065 187366817 /nfs/dbraw/zinc/36/68/17/187366817.db2.gz XOSKRORPABBCOW-PELKAZGASA-N 1 2 232.327 2.991 20 0 BFADLO Cc1nonc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000298350884 179069582 /nfs/dbraw/zinc/06/95/82/179069582.db2.gz SVKUDEWNWYKDEV-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nonc1C[N@H+](C)Cc1cccc(C)c1C ZINC000298350884 179069583 /nfs/dbraw/zinc/06/95/83/179069583.db2.gz SVKUDEWNWYKDEV-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000265831752 179070045 /nfs/dbraw/zinc/07/00/45/179070045.db2.gz UOLMVNSJSDDPAT-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000265831752 179070048 /nfs/dbraw/zinc/07/00/48/179070048.db2.gz UOLMVNSJSDDPAT-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2nccc(C)n2)c1 ZINC000339646604 179070197 /nfs/dbraw/zinc/07/01/97/179070197.db2.gz PHZUOICRGGPZKR-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2nccc(C)n2)c1 ZINC000339646604 179070201 /nfs/dbraw/zinc/07/02/01/179070201.db2.gz PHZUOICRGGPZKR-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000271063984 179065758 /nfs/dbraw/zinc/06/57/58/179065758.db2.gz ZMABCPAWUHIMEY-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1cccc(C)c1 ZINC000271063984 179065760 /nfs/dbraw/zinc/06/57/60/179065760.db2.gz ZMABCPAWUHIMEY-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000366665215 179077011 /nfs/dbraw/zinc/07/70/11/179077011.db2.gz QFOFQCHIRUBDCK-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000366665215 179077014 /nfs/dbraw/zinc/07/70/14/179077014.db2.gz QFOFQCHIRUBDCK-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO CC(C)n1ccc(C[C@H](C)[NH2+][C@H](C)C(F)F)n1 ZINC000641792491 362727351 /nfs/dbraw/zinc/72/73/51/362727351.db2.gz WMAIFXOFQOSKPH-VHSXEESVSA-N 1 2 245.317 2.638 20 0 BFADLO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C(F)F ZINC000641790790 362728793 /nfs/dbraw/zinc/72/87/93/362728793.db2.gz WUUOYMOMGVBIKZ-KWQFWETISA-N 1 2 241.281 2.926 20 0 BFADLO C[C@@H]([NH2+]Cc1cc2cccnc2o1)C(F)F ZINC000641793105 362729001 /nfs/dbraw/zinc/72/90/01/362729001.db2.gz DLILKTRIHKLHBR-SSDOTTSWSA-N 1 2 226.226 2.571 20 0 BFADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000641792658 362729011 /nfs/dbraw/zinc/72/90/11/362729011.db2.gz XYKCYTRJMGNMSB-IUCAKERBSA-N 1 2 214.259 2.694 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000641791314 362729933 /nfs/dbraw/zinc/72/99/33/362729933.db2.gz GVHGQAHRTWHNLT-NTSWFWBYSA-N 1 2 220.288 2.756 20 0 BFADLO COc1ccccc1/C=C\C[NH2+][C@H](C)C(F)F ZINC000641793958 362732496 /nfs/dbraw/zinc/73/24/96/362732496.db2.gz QDTITNHYPGKHJQ-ONRRBMGISA-N 1 2 241.281 2.952 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000641791884 362732656 /nfs/dbraw/zinc/73/26/56/362732656.db2.gz ONMKVYZMIIQVEK-IUCAKERBSA-N 1 2 214.259 2.694 20 0 BFADLO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C(F)F ZINC000641791838 362733330 /nfs/dbraw/zinc/73/33/30/362733330.db2.gz NWOHGEKTMLEUMU-UFBFGSQYSA-N 1 2 241.281 2.926 20 0 BFADLO C[C@@H]1CCCCC[N@@H+]1Cc1nnsc1Cl ZINC000069944801 349969162 /nfs/dbraw/zinc/96/91/62/349969162.db2.gz NHQYURPTSBVIPH-MRVPVSSYSA-N 1 2 245.779 2.956 20 0 BFADLO C[C@@H]1CCCCC[N@H+]1Cc1nnsc1Cl ZINC000069944801 349969166 /nfs/dbraw/zinc/96/91/66/349969166.db2.gz NHQYURPTSBVIPH-MRVPVSSYSA-N 1 2 245.779 2.956 20 0 BFADLO Cc1cccc([N@H+](C)CC2CCOCC2)c1 ZINC000112697583 179116273 /nfs/dbraw/zinc/11/62/73/179116273.db2.gz MDLHRFAVHBVTBO-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO Cc1cccc([N@@H+](C)CC2CCOCC2)c1 ZINC000112697583 179116274 /nfs/dbraw/zinc/11/62/74/179116274.db2.gz MDLHRFAVHBVTBO-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CCCCN(CCCC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000211604554 346570606 /nfs/dbraw/zinc/57/06/06/346570606.db2.gz ZCJYGLAGYYPAEO-FPLPWBNLSA-N 1 2 249.358 2.852 20 0 BFADLO CC[N@H+](Cc1ccoc1)[C@@H](C)c1nc(C)no1 ZINC000588236677 346648775 /nfs/dbraw/zinc/64/87/75/346648775.db2.gz VYRNWAOTIARDCU-VIFPVBQESA-N 1 2 235.287 2.554 20 0 BFADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1nc(C)no1 ZINC000588236677 346648777 /nfs/dbraw/zinc/64/87/77/346648777.db2.gz VYRNWAOTIARDCU-VIFPVBQESA-N 1 2 235.287 2.554 20 0 BFADLO C[C@H]1CCCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000187977803 346663891 /nfs/dbraw/zinc/66/38/91/346663891.db2.gz LLFQHDJYQTUMBW-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO C[C@H]1CCCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000187977803 346663893 /nfs/dbraw/zinc/66/38/93/346663893.db2.gz LLFQHDJYQTUMBW-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO Cc1occc1C[NH2+]Cc1n[nH]c2ccccc21 ZINC000589646544 346721966 /nfs/dbraw/zinc/72/19/66/346721966.db2.gz WRWDYBOYFNXETO-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1c[nH+]c(CNc2cccc(C)c2F)n1C ZINC000341254858 179151338 /nfs/dbraw/zinc/15/13/38/179151338.db2.gz DDMNIFFSGOEJKI-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1cccc(NCc2[nH]cc[nH+]2)c1C ZINC000049714595 179152191 /nfs/dbraw/zinc/15/21/91/179152191.db2.gz GCSLYJLASLZQHM-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000176638385 365857699 /nfs/dbraw/zinc/85/76/99/365857699.db2.gz WZUVNZROKCEXMD-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Fc1ccc(CNc2c[nH]c[nH+]2)c(Cl)c1 ZINC000380211166 347108723 /nfs/dbraw/zinc/10/87/23/347108723.db2.gz YXENHWCDSFVQHH-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275601184 179182206 /nfs/dbraw/zinc/18/22/06/179182206.db2.gz JDZHYAXAQUOZKZ-NEPJUHHUSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1C ZINC000115630174 179183312 /nfs/dbraw/zinc/18/33/12/179183312.db2.gz CDKXIYONMCVLGN-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO CCOC(=O)CCC[N@H+](CC)c1ccccc1 ZINC000082225761 347306903 /nfs/dbraw/zinc/30/69/03/347306903.db2.gz SWEAISPQSFRTSX-UHFFFAOYSA-N 1 2 235.327 2.856 20 0 BFADLO CCOC(=O)CCC[N@@H+](CC)c1ccccc1 ZINC000082225761 347306906 /nfs/dbraw/zinc/30/69/06/347306906.db2.gz SWEAISPQSFRTSX-UHFFFAOYSA-N 1 2 235.327 2.856 20 0 BFADLO CC[N@H+](Cc1cocn1)[C@H](C)c1cccc(O)c1 ZINC000191933960 347362995 /nfs/dbraw/zinc/36/29/95/347362995.db2.gz KVEHHRJHXMXYMA-LLVKDONJSA-N 1 2 246.310 2.963 20 0 BFADLO CC[N@@H+](Cc1cocn1)[C@H](C)c1cccc(O)c1 ZINC000191933960 347362997 /nfs/dbraw/zinc/36/29/97/347362997.db2.gz KVEHHRJHXMXYMA-LLVKDONJSA-N 1 2 246.310 2.963 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC23CC3)c(C)c[nH+]1 ZINC000626226040 347384331 /nfs/dbraw/zinc/38/43/31/347384331.db2.gz YDATWVNHYWGKLO-GFCCVEGCSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1cccc2[nH+]c(CN3CCC=C(F)C3)cn21 ZINC000272411327 179229827 /nfs/dbraw/zinc/22/98/27/179229827.db2.gz FRLFBKJBFBNCHN-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO C[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616924330 347454358 /nfs/dbraw/zinc/45/43/58/347454358.db2.gz FDKXKINUIZLSDI-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616924330 347454361 /nfs/dbraw/zinc/45/43/61/347454361.db2.gz FDKXKINUIZLSDI-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H](C)[C@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000035044794 358453210 /nfs/dbraw/zinc/45/32/10/358453210.db2.gz NLPTUOLWDKDLOQ-OCCSQVGLSA-N 1 2 249.354 2.672 20 0 BFADLO CCC[C@](C)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928816 347495897 /nfs/dbraw/zinc/49/58/97/347495897.db2.gz NELBYPIALJEFPM-ZDUSSCGKSA-N 1 2 237.347 2.585 20 0 BFADLO CCC[C@](C)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928816 347495899 /nfs/dbraw/zinc/49/58/99/347495899.db2.gz NELBYPIALJEFPM-ZDUSSCGKSA-N 1 2 237.347 2.585 20 0 BFADLO CCCC(CCC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926672 347458503 /nfs/dbraw/zinc/45/85/03/347458503.db2.gz LJSKWKQKGFRHOS-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CCCC(CCC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926672 347458506 /nfs/dbraw/zinc/45/85/06/347458506.db2.gz LJSKWKQKGFRHOS-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CC[N@H+](CCSC)[C@H](C)c1nnc(C)s1 ZINC000592205205 347756461 /nfs/dbraw/zinc/75/64/61/347756461.db2.gz XQDGHIVOHATVJS-MRVPVSSYSA-N 1 2 245.417 2.592 20 0 BFADLO CC[N@@H+](CCSC)[C@H](C)c1nnc(C)s1 ZINC000592205205 347756462 /nfs/dbraw/zinc/75/64/62/347756462.db2.gz XQDGHIVOHATVJS-MRVPVSSYSA-N 1 2 245.417 2.592 20 0 BFADLO Cc1ccccc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000336363687 179297964 /nfs/dbraw/zinc/29/79/64/179297964.db2.gz QIIZOXUPRRTTTC-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO Cc1ccccc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000336363687 179297965 /nfs/dbraw/zinc/29/79/65/179297965.db2.gz QIIZOXUPRRTTTC-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CC1(F)CC1 ZINC000593696936 347929892 /nfs/dbraw/zinc/92/98/92/347929892.db2.gz IYXOQAVMWQIRDL-JTQLQIEISA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1(F)CC1 ZINC000593696936 347929893 /nfs/dbraw/zinc/92/98/93/347929893.db2.gz IYXOQAVMWQIRDL-JTQLQIEISA-N 1 2 245.338 2.541 20 0 BFADLO COc1ccc(N[C@H](C)CSCCF)[nH+]c1 ZINC000595030563 348174642 /nfs/dbraw/zinc/17/46/42/348174642.db2.gz RXVPQZCTOKEZFC-SECBINFHSA-N 1 2 244.335 2.593 20 0 BFADLO CC[C@@H]1C[C@H]1C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000419233515 192112322 /nfs/dbraw/zinc/11/23/22/192112322.db2.gz WFACRFNFRWIYMI-XBFCOCLRSA-N 1 2 247.338 2.536 20 0 BFADLO CC/C=C/C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000419260797 192116342 /nfs/dbraw/zinc/11/63/42/192116342.db2.gz PCCZZMJRMIIVFU-GUOLPTJISA-N 1 2 227.348 2.520 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419360672 192127373 /nfs/dbraw/zinc/12/73/73/192127373.db2.gz SGDLEYQQEZWXMG-WDEREUQCSA-N 1 2 247.338 2.776 20 0 BFADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC1=CCCC1 ZINC000596047318 348429630 /nfs/dbraw/zinc/42/96/30/348429630.db2.gz PJWXDRHXOGYDMC-ZDUSSCGKSA-N 1 2 239.359 2.664 20 0 BFADLO Cc1cc[nH+]c(N[C@@H]2CCOC[C@@H]2C)c1Cl ZINC000309733394 179456709 /nfs/dbraw/zinc/45/67/09/179456709.db2.gz BRASKKPKXMFEDX-VHSXEESVSA-N 1 2 240.734 2.880 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000535841897 323193404 /nfs/dbraw/zinc/19/34/04/323193404.db2.gz VFHXXGKIWPKLBB-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000535841897 323193405 /nfs/dbraw/zinc/19/34/05/323193405.db2.gz VFHXXGKIWPKLBB-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000575065686 348623512 /nfs/dbraw/zinc/62/35/12/348623512.db2.gz VPQDGODOZGSADX-LLVKDONJSA-N 1 2 211.255 2.760 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000575065686 348623515 /nfs/dbraw/zinc/62/35/15/348623515.db2.gz VPQDGODOZGSADX-LLVKDONJSA-N 1 2 211.255 2.760 20 0 BFADLO Cc1cnc(OC(C)C)c(NCc2[nH]cc[nH+]2)c1 ZINC000295024332 179643041 /nfs/dbraw/zinc/64/30/41/179643041.db2.gz CPNQJOPXSUTLHK-UHFFFAOYSA-N 1 2 246.314 2.512 20 0 BFADLO C[C@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000308846322 348853401 /nfs/dbraw/zinc/85/34/01/348853401.db2.gz MIZAOMYPUSPHJX-SNVBAGLBSA-N 1 2 201.273 2.625 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000599628809 349231422 /nfs/dbraw/zinc/23/14/22/349231422.db2.gz UVUOCRMSRHCZKP-OAHLLOKOSA-N 1 2 249.354 2.845 20 0 BFADLO CC[C@H]([NH2+]CC(=O)OC)c1cc(C)ccc1C ZINC000599640553 349238594 /nfs/dbraw/zinc/23/85/94/349238594.db2.gz JGWXDBFDSPXPLU-ZDUSSCGKSA-N 1 2 235.327 2.517 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000409444819 191012284 /nfs/dbraw/zinc/01/22/84/191012284.db2.gz HKHYJXJLVODSTF-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@H](C)C[C@@H]2C)no1 ZINC000409444819 191012287 /nfs/dbraw/zinc/01/22/87/191012287.db2.gz HKHYJXJLVODSTF-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCC[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884351 350048742 /nfs/dbraw/zinc/04/87/42/350048742.db2.gz UKACLQZLXDDRLO-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884352 350048916 /nfs/dbraw/zinc/04/89/16/350048916.db2.gz UKACLQZLXDDRLO-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO CCc1cccc(N(C)Cc2[nH]cc(C)[nH+]2)c1 ZINC000628305780 350104880 /nfs/dbraw/zinc/10/48/80/350104880.db2.gz UTLNLHVOWDCFDS-UHFFFAOYSA-N 1 2 229.327 2.917 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC[C@@H](C)C2)[nH+]1 ZINC000355785830 180001951 /nfs/dbraw/zinc/00/19/51/180001951.db2.gz LXHCGYXMBWXKBP-SNVBAGLBSA-N 1 2 244.342 2.893 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCSC2)[nH+]1 ZINC000330195397 180021904 /nfs/dbraw/zinc/02/19/04/180021904.db2.gz PDSYEBSIYCDPQP-SECBINFHSA-N 1 2 248.355 2.574 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccs2)no1 ZINC000289469208 180050247 /nfs/dbraw/zinc/05/02/47/180050247.db2.gz HDIRNBGNZSHJQY-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nc([C@H](C)[NH2+]Cc2nccs2)cs1 ZINC000041012604 180051911 /nfs/dbraw/zinc/05/19/11/180051911.db2.gz ZNORKAXDKJZVAL-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)CC3CC3)ccc2n1C ZINC000296066869 180083996 /nfs/dbraw/zinc/08/39/96/180083996.db2.gz JIYBPTMEXSHSST-UHFFFAOYSA-N 1 2 244.294 2.587 20 0 BFADLO Cc1nc(N[C@H]2CCC[C@@H]2F)c2c([nH+]1)CCCC2 ZINC000338845717 180069574 /nfs/dbraw/zinc/06/95/74/180069574.db2.gz UOYDJOKXMNPUOX-AAEUAGOBSA-N 1 2 249.333 2.966 20 0 BFADLO Cc1nc(N[C@@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000302070259 180070661 /nfs/dbraw/zinc/07/06/61/180070661.db2.gz YCEFFAZMHKSTHX-VIFPVBQESA-N 1 2 231.343 2.874 20 0 BFADLO Cc1nc(N[C@H]2CC[C@@H](F)C2)c2c([nH+]1)CCCC2 ZINC000340908219 180070710 /nfs/dbraw/zinc/07/07/10/180070710.db2.gz HQNOJJUBGZMUQM-MNOVXSKESA-N 1 2 249.333 2.966 20 0 BFADLO Cc1ccc(NC(C2CC2)C2CC2)c[nH+]1 ZINC000096033345 191055155 /nfs/dbraw/zinc/05/51/55/191055155.db2.gz UNMUJVBTVRVOJJ-UHFFFAOYSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000331081014 180120643 /nfs/dbraw/zinc/12/06/43/180120643.db2.gz AHVWPHUNSWOGJY-ZYHUDNBSSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1nc(NC23CCC(CC2)C3)cc[nH+]1 ZINC000309195391 180198069 /nfs/dbraw/zinc/19/80/69/180198069.db2.gz QJIAMBJJCJKRGP-UHFFFAOYSA-N 1 2 203.289 2.530 20 0 BFADLO Cc1cccnc1CCCNc1cc[nH+]c(C)n1 ZINC000294887071 180198581 /nfs/dbraw/zinc/19/85/81/180198581.db2.gz CQKYIALOOMTAGV-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1nc(NCCC2CCCC2)cc[nH+]1 ZINC000054935926 180198628 /nfs/dbraw/zinc/19/86/28/180198628.db2.gz DPCABGGZGRSNFQ-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1nc(NC[C@H]2CCCO[C@@H]2C(C)C)cc[nH+]1 ZINC000174933482 180200182 /nfs/dbraw/zinc/20/01/82/180200182.db2.gz OIESSWJYGKMRTB-TZMCWYRMSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1nc(N[C@@H](C)CCc2cccn2C)cc[nH+]1 ZINC000266196481 180203395 /nfs/dbraw/zinc/20/33/95/180203395.db2.gz CMGCZODTWCIXNU-NSHDSACASA-N 1 2 244.342 2.557 20 0 BFADLO Cc1nc(N[C@H]2CCCO[C@@H]2CC(C)C)cc[nH+]1 ZINC000186380823 180205796 /nfs/dbraw/zinc/20/57/96/180205796.db2.gz JZNHGJIZWIQJPB-QWHCGFSZSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@H](C)c2ccc(F)cc2F)cc[nH+]1 ZINC000361163586 180182188 /nfs/dbraw/zinc/18/21/88/180182188.db2.gz ZFDITJPVSOONON-MRVPVSSYSA-N 1 2 249.264 2.658 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@H]1CCCOC1 ZINC000309731736 180227382 /nfs/dbraw/zinc/22/73/82/180227382.db2.gz BHXSUGYXYGGUMW-PWSUYJOCSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CSC[C@H]1C ZINC000295599794 180227424 /nfs/dbraw/zinc/22/74/24/180227424.db2.gz FPUZTSZAPQPTNI-KCJUWKMLSA-N 1 2 208.330 2.553 20 0 BFADLO CSc1ccc(NC[C@@H]2C[C@H]2C)[nH+]c1 ZINC000306436002 191086124 /nfs/dbraw/zinc/08/61/24/191086124.db2.gz GBLRQRFTWIRZRV-BDAKNGLRSA-N 1 2 208.330 2.871 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336331330 180316164 /nfs/dbraw/zinc/31/61/64/180316164.db2.gz VLRQHMWTWHQCGU-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000336331330 180316165 /nfs/dbraw/zinc/31/61/65/180316165.db2.gz VLRQHMWTWHQCGU-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580994 350374504 /nfs/dbraw/zinc/37/45/04/350374504.db2.gz MIIYIDQZTINKMF-SNVBAGLBSA-N 1 2 246.314 2.597 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000393953870 350380577 /nfs/dbraw/zinc/38/05/77/350380577.db2.gz SGDBAUSHDGUZBW-UHFFFAOYSA-N 1 2 221.197 2.710 20 0 BFADLO CCc1cc(NCCc2ccccc2F)nc[nH+]1 ZINC000040765031 350394506 /nfs/dbraw/zinc/39/45/06/350394506.db2.gz WFNBPPZRMZTERC-UHFFFAOYSA-N 1 2 245.301 2.833 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000336708609 350461624 /nfs/dbraw/zinc/46/16/24/350461624.db2.gz VPSYCWMURYXBSX-SNVBAGLBSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000336708609 350461628 /nfs/dbraw/zinc/46/16/28/350461628.db2.gz VPSYCWMURYXBSX-SNVBAGLBSA-N 1 2 223.320 2.567 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)C)n1)CC1CCC1 ZINC000336725168 350481050 /nfs/dbraw/zinc/48/10/50/350481050.db2.gz PICOISHJIMKQRZ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@H+](Cc1noc(C(C)C)n1)CC1CCC1 ZINC000336725168 350481053 /nfs/dbraw/zinc/48/10/53/350481053.db2.gz PICOISHJIMKQRZ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@@H+](Cc1noc(C2CC2)n1)CC1CCC1 ZINC000336727005 350484284 /nfs/dbraw/zinc/48/42/84/350484284.db2.gz YBRFURFETMMRFK-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC[N@H+](Cc1noc(C2CC2)n1)CC1CCC1 ZINC000336727005 350484289 /nfs/dbraw/zinc/48/42/89/350484289.db2.gz YBRFURFETMMRFK-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO COc1ccc(C[NH2+]CC(F)F)cc1Cl ZINC000147358922 191106403 /nfs/dbraw/zinc/10/64/03/191106403.db2.gz CHFXZRJXLKURJY-UHFFFAOYSA-N 1 2 235.661 2.703 20 0 BFADLO CCCC[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000337418850 350583428 /nfs/dbraw/zinc/58/34/28/350583428.db2.gz AIBWACQPESJHNO-NSHDSACASA-N 1 2 249.358 2.912 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]CC(F)F ZINC000147265441 490662255 /nfs/dbraw/zinc/66/22/55/490662255.db2.gz WQMGEOKPBHBULT-VIFPVBQESA-N 1 2 229.270 2.919 20 0 BFADLO C[C@H](Nc1cccc2c1CCO2)c1[nH]cc[nH+]1 ZINC000335665280 538098012 /nfs/dbraw/zinc/09/80/12/538098012.db2.gz VHDWYUNTZKHXLR-VIFPVBQESA-N 1 2 229.283 2.518 20 0 BFADLO Cc1cccc(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000235187364 350713909 /nfs/dbraw/zinc/71/39/09/350713909.db2.gz FWGVAPWIGPSPOC-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccoc1 ZINC000577579876 366002455 /nfs/dbraw/zinc/00/24/55/366002455.db2.gz BQXAYMWCYBLESH-VIFPVBQESA-N 1 2 232.283 2.996 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C)on2)on1 ZINC000052009807 350908064 /nfs/dbraw/zinc/90/80/64/350908064.db2.gz WHBGEHHZSIBIBK-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C)on2)on1 ZINC000052009807 350908069 /nfs/dbraw/zinc/90/80/69/350908069.db2.gz WHBGEHHZSIBIBK-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000052010042 350908776 /nfs/dbraw/zinc/90/87/76/350908776.db2.gz MBXZNSCZMIBPBG-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000052010042 350908777 /nfs/dbraw/zinc/90/87/77/350908777.db2.gz MBXZNSCZMIBPBG-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000052010039 350908795 /nfs/dbraw/zinc/90/87/95/350908795.db2.gz MBXZNSCZMIBPBG-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000052010039 350908796 /nfs/dbraw/zinc/90/87/96/350908796.db2.gz MBXZNSCZMIBPBG-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Fc1ccc(C2([NH2+]Cc3ccon3)CCC2)cc1 ZINC000607151508 351029353 /nfs/dbraw/zinc/02/93/53/351029353.db2.gz QYNNNGZVFIBCPB-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(C#N)c1 ZINC000389906485 351054436 /nfs/dbraw/zinc/05/44/36/351054436.db2.gz HBKALKDMHNOCEU-IUCAKERBSA-N 1 2 224.254 2.862 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(C#N)c1 ZINC000389906487 351054525 /nfs/dbraw/zinc/05/45/25/351054525.db2.gz HBKALKDMHNOCEU-RKDXNWHRSA-N 1 2 224.254 2.862 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)o1 ZINC000628318717 351093498 /nfs/dbraw/zinc/09/34/98/351093498.db2.gz PYMVZZBTZQABDQ-UONOGXRCSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)o1 ZINC000628318718 351093713 /nfs/dbraw/zinc/09/37/13/351093713.db2.gz PYMVZZBTZQABDQ-ZIAGYGMSSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1ccccc1C[N@H+](C)CC(=O)OC(C)(C)C ZINC000070978333 351137508 /nfs/dbraw/zinc/13/75/08/351137508.db2.gz IEVSADZRAOIRPG-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1ccccc1C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000070978333 351137511 /nfs/dbraw/zinc/13/75/11/351137511.db2.gz IEVSADZRAOIRPG-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO CCc1nc(C[NH2+]C(C)(C)c2ccccc2)no1 ZINC000264597665 351247073 /nfs/dbraw/zinc/24/70/73/351247073.db2.gz CHZCHNFTZJQBCP-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO CSc1ccc[nH+]c1NCc1cnc(C)o1 ZINC000628325268 351251127 /nfs/dbraw/zinc/25/11/27/351251127.db2.gz FGCGMAVKRLHKKS-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)CC ZINC000264965194 351260345 /nfs/dbraw/zinc/26/03/45/351260345.db2.gz BSAWRFQRSODXOV-SECBINFHSA-N 1 2 206.289 2.629 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CCc1ccco1 ZINC000265026121 351261491 /nfs/dbraw/zinc/26/14/91/351261491.db2.gz RWINAUFTXZSHPD-UHFFFAOYSA-N 1 2 244.294 2.808 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1cscn1 ZINC000628338032 351280844 /nfs/dbraw/zinc/28/08/44/351280844.db2.gz XSZGCAMOYNALRV-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccoc1 ZINC000389461910 351272591 /nfs/dbraw/zinc/27/25/91/351272591.db2.gz GKAVHJBGEYWECI-SFYZADRCSA-N 1 2 203.232 2.974 20 0 BFADLO CC[N@H+](Cc1nc(C)c(C)o1)Cc1ccncc1 ZINC000271026327 351394993 /nfs/dbraw/zinc/39/49/93/351394993.db2.gz PEEAALBTLOQBSM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nc(C)c(C)o1)Cc1ccncc1 ZINC000271026327 351394996 /nfs/dbraw/zinc/39/49/96/351394996.db2.gz PEEAALBTLOQBSM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000153062306 363030322 /nfs/dbraw/zinc/03/03/22/363030322.db2.gz XAUXGWUPDHGDDK-GHMZBOCLSA-N 1 2 248.326 2.855 20 0 BFADLO CC(C)CN(CC(C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276675985 351643983 /nfs/dbraw/zinc/64/39/83/351643983.db2.gz ZWNWAWXTJFSXGN-AATRIKPKSA-N 1 2 249.358 2.564 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOCC(F)F ZINC000276469537 351624675 /nfs/dbraw/zinc/62/46/75/351624675.db2.gz GVORUSYRLNSCQM-UHFFFAOYSA-N 1 2 245.269 2.613 20 0 BFADLO COc1cc(F)cc(C[NH2+]CC(C)(F)F)c1 ZINC000577696136 366038470 /nfs/dbraw/zinc/03/84/70/366038470.db2.gz CXWAQWAZSLQRQD-UHFFFAOYSA-N 1 2 233.233 2.579 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC(C)(C)O1 ZINC000278424554 351763664 /nfs/dbraw/zinc/76/36/64/351763664.db2.gz YBSMVPZIPBNAAO-GFCCVEGCSA-N 1 2 248.326 2.540 20 0 BFADLO Cc1nc2n(c1C)CC[N@@H+](CC1(C(C)C)CC1)C2 ZINC000638011500 351889154 /nfs/dbraw/zinc/88/91/54/351889154.db2.gz BHBGXGIZDKCQPK-UHFFFAOYSA-N 1 2 247.386 2.752 20 0 BFADLO Cc1nc2n(c1C)CC[N@H+](CC1(C(C)C)CC1)C2 ZINC000638011500 351889158 /nfs/dbraw/zinc/88/91/58/351889158.db2.gz BHBGXGIZDKCQPK-UHFFFAOYSA-N 1 2 247.386 2.752 20 0 BFADLO Cc1[nH+]c2n(c1C)CCN(CC1(C(C)C)CC1)C2 ZINC000638011500 351889161 /nfs/dbraw/zinc/88/91/61/351889161.db2.gz BHBGXGIZDKCQPK-UHFFFAOYSA-N 1 2 247.386 2.752 20 0 BFADLO CCc1cc(NC2(C)CCCC2)nc[nH+]1 ZINC000042187561 351993624 /nfs/dbraw/zinc/99/36/24/351993624.db2.gz ORKYKEZJDHCIRW-UHFFFAOYSA-N 1 2 205.305 2.784 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCCC[C@H]1F ZINC000528035211 323743431 /nfs/dbraw/zinc/74/34/31/323743431.db2.gz VWXJZHWLVDAVQV-NXEZZACHSA-N 1 2 224.279 2.783 20 0 BFADLO Fc1ccc(F)c(C[NH2+]Cc2ccco2)c1 ZINC000037228215 358470879 /nfs/dbraw/zinc/47/08/79/358470879.db2.gz ZLSABAXUPHTQBN-UHFFFAOYSA-N 1 2 223.222 2.848 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000293543347 352354298 /nfs/dbraw/zinc/35/42/98/352354298.db2.gz YFJYNJJKRUHZHJ-RKDXNWHRSA-N 1 2 210.346 2.546 20 0 BFADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000293543347 352354300 /nfs/dbraw/zinc/35/43/00/352354300.db2.gz YFJYNJJKRUHZHJ-RKDXNWHRSA-N 1 2 210.346 2.546 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000293543345 352354438 /nfs/dbraw/zinc/35/44/38/352354438.db2.gz YFJYNJJKRUHZHJ-IUCAKERBSA-N 1 2 210.346 2.546 20 0 BFADLO CCc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000293543345 352354439 /nfs/dbraw/zinc/35/44/39/352354439.db2.gz YFJYNJJKRUHZHJ-IUCAKERBSA-N 1 2 210.346 2.546 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CCc3ccc(F)cc32)o1 ZINC000638544020 352375855 /nfs/dbraw/zinc/37/58/55/352375855.db2.gz SFLQENQRVIPAAP-ZDUSSCGKSA-N 1 2 246.285 2.899 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2ccns2)on1 ZINC000638596030 352427083 /nfs/dbraw/zinc/42/70/83/352427083.db2.gz DBFOOFUMIHKAAC-UHFFFAOYSA-N 1 2 237.328 2.544 20 0 BFADLO CCN(Cc1ccoc1)c1cccc[nH+]1 ZINC000301526551 352604717 /nfs/dbraw/zinc/60/47/17/352604717.db2.gz GFJBQSHOJHXFAD-UHFFFAOYSA-N 1 2 202.257 2.701 20 0 BFADLO Cc1ccc(NC[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000638761829 352699334 /nfs/dbraw/zinc/69/93/34/352699334.db2.gz LSTMMXKPFADOKA-ZSBIGDGJSA-N 1 2 202.301 2.848 20 0 BFADLO Cc1ccc(CN(c2cc[nH+]c(C)n2)C2CC2)o1 ZINC000608080295 352728258 /nfs/dbraw/zinc/72/82/58/352728258.db2.gz SBUMYGYBYWUQMS-UHFFFAOYSA-N 1 2 243.310 2.855 20 0 BFADLO CCOC1CC(CNc2ccc[nH+]c2C)C1 ZINC000638785612 352739547 /nfs/dbraw/zinc/73/95/47/352739547.db2.gz DUJJUDDLMIESJE-UHFFFAOYSA-N 1 2 220.316 2.617 20 0 BFADLO CC[C@@H](C)[C@H](CNc1ccc[nH+]c1C)OC ZINC000638785858 352740629 /nfs/dbraw/zinc/74/06/29/352740629.db2.gz GTXWINZMJZFDGP-MFKMUULPSA-N 1 2 222.332 2.863 20 0 BFADLO CO[C@H](CNc1ccc[nH+]c1C)CC(C)C ZINC000638787117 352741715 /nfs/dbraw/zinc/74/17/15/352741715.db2.gz UCDVGVCLFBSMCS-LBPRGKRZSA-N 1 2 222.332 2.863 20 0 BFADLO CCOC1CC(CNc2c[nH+]cc(C)c2)C1 ZINC000638787492 352743467 /nfs/dbraw/zinc/74/34/67/352743467.db2.gz GLEZLPRZZLGSGD-UHFFFAOYSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1ccc(NC2CC(n3cccn3)C2)c(C)[nH+]1 ZINC000638792127 352753837 /nfs/dbraw/zinc/75/38/37/352753837.db2.gz NTFLSUXYQTWBFD-UHFFFAOYSA-N 1 2 242.326 2.711 20 0 BFADLO C[N@H+](Cc1ccsc1Cl)[C@@H]1CCOC1 ZINC000334211736 352809076 /nfs/dbraw/zinc/80/90/76/352809076.db2.gz QCDBPMXLJSSYFG-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1ccsc1Cl)[C@@H]1CCOC1 ZINC000334211736 352809079 /nfs/dbraw/zinc/80/90/79/352809079.db2.gz QCDBPMXLJSSYFG-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO CC(C)=CCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000357853099 187892429 /nfs/dbraw/zinc/89/24/29/187892429.db2.gz HPHLBHJZMDWTIN-UHFFFAOYSA-N 1 2 231.343 2.853 20 0 BFADLO CC1C[NH+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000334271416 352908464 /nfs/dbraw/zinc/90/84/64/352908464.db2.gz HATFIQYDEBELMB-UHFFFAOYSA-N 1 2 249.745 2.678 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C(C)(C)C)on1 ZINC000334275070 352911312 /nfs/dbraw/zinc/91/13/12/352911312.db2.gz BRYAEBKKEDQBJT-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C(C)(C)C)on1 ZINC000334275070 352911314 /nfs/dbraw/zinc/91/13/14/352911314.db2.gz BRYAEBKKEDQBJT-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO COc1ccc(NC[C@@H](CC(C)C)OC)[nH+]c1 ZINC000642278447 363199069 /nfs/dbraw/zinc/19/90/69/363199069.db2.gz PZQLWMXMVXVKCB-GFCCVEGCSA-N 1 2 238.331 2.563 20 0 BFADLO CC(C)(C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000638850504 353029650 /nfs/dbraw/zinc/02/96/50/353029650.db2.gz PDYMTCFEXJZGJM-NSHDSACASA-N 1 2 236.363 2.814 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)sn1 ZINC000638909630 353067022 /nfs/dbraw/zinc/06/70/22/353067022.db2.gz HOUFGVQQSYKJDG-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)sn1 ZINC000638909630 353067024 /nfs/dbraw/zinc/06/70/24/353067024.db2.gz HOUFGVQQSYKJDG-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO ClC1(Cl)C[C@@H]1CNc1cccc[nH+]1 ZINC000307726713 353113370 /nfs/dbraw/zinc/11/33/70/353113370.db2.gz DALSXBGMUZWWSW-SSDOTTSWSA-N 1 2 217.099 2.687 20 0 BFADLO CSCCNc1[nH+]ccc(C)c1Cl ZINC000307633268 353088455 /nfs/dbraw/zinc/08/84/55/353088455.db2.gz QTIULBSIAUKYBA-UHFFFAOYSA-N 1 2 216.737 2.818 20 0 BFADLO Cc1nccc(C[N@@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000334406979 353088565 /nfs/dbraw/zinc/08/85/65/353088565.db2.gz KKAREIWBPIYYIM-NSHDSACASA-N 1 2 239.322 2.862 20 0 BFADLO Cc1nccc(C[N@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000334406979 353088567 /nfs/dbraw/zinc/08/85/67/353088567.db2.gz KKAREIWBPIYYIM-NSHDSACASA-N 1 2 239.322 2.862 20 0 BFADLO FC(F)C1CC[NH+](Cc2nccs2)CC1 ZINC000334418100 353101489 /nfs/dbraw/zinc/10/14/89/353101489.db2.gz RLVRPVVABJHLHZ-UHFFFAOYSA-N 1 2 232.299 2.620 20 0 BFADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2O)c1C ZINC000109891378 188006530 /nfs/dbraw/zinc/00/65/30/188006530.db2.gz CAQAUJQGAFFSHX-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO CCCCc1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000336695908 188011416 /nfs/dbraw/zinc/01/14/16/188011416.db2.gz JPVSRCYOGSGWEO-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO CCCCc1noc(C[N@H+]2CCC23CCC3)n1 ZINC000336695908 188011419 /nfs/dbraw/zinc/01/14/19/188011419.db2.gz JPVSRCYOGSGWEO-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO Cc1cc(N(C)Cc2c(F)cccc2F)nc[nH+]1 ZINC000338780390 188017758 /nfs/dbraw/zinc/01/77/58/188017758.db2.gz CCYRCOUYIJQDCA-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO CC(C)[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000266122820 188022574 /nfs/dbraw/zinc/02/25/74/188022574.db2.gz RAIJMNQHRFECQX-LLVKDONJSA-N 1 2 245.326 2.955 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000271105405 188025124 /nfs/dbraw/zinc/02/51/24/188025124.db2.gz VLECTBPFACTUAL-NQBHXWOUSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@H]2C)o1 ZINC000271105405 188025126 /nfs/dbraw/zinc/02/51/26/188025126.db2.gz VLECTBPFACTUAL-NQBHXWOUSA-N 1 2 235.327 2.624 20 0 BFADLO CC1(C)CCN(c2cccc[nH+]2)CCS1 ZINC000278920405 188030325 /nfs/dbraw/zinc/03/03/25/188030325.db2.gz UAJFYGVCOTWMBU-UHFFFAOYSA-N 1 2 222.357 2.804 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)C ZINC000287619271 188035342 /nfs/dbraw/zinc/03/53/42/188035342.db2.gz UBPIBWIECRWDDE-UHFFFAOYSA-N 1 2 235.331 2.866 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCC1CC1 ZINC000287694916 188035384 /nfs/dbraw/zinc/03/53/84/188035384.db2.gz ZDQKDXURGMPWKJ-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000336534780 188057368 /nfs/dbraw/zinc/05/73/68/188057368.db2.gz CSFHEBOSBYPYFY-GHMZBOCLSA-N 1 2 247.342 2.818 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1ccon1 ZINC000341385757 188045266 /nfs/dbraw/zinc/04/52/66/188045266.db2.gz WXOPBBGFFOUWOF-NSHDSACASA-N 1 2 248.330 2.611 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cncnc1 ZINC000271028410 538110062 /nfs/dbraw/zinc/11/00/62/538110062.db2.gz GOCGRYNSJWAFDM-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cncnc1 ZINC000271028410 538110063 /nfs/dbraw/zinc/11/00/63/538110063.db2.gz GOCGRYNSJWAFDM-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO CC(C)c1nc(N(C)Cc2ccccn2)cc[nH+]1 ZINC000301249998 188233058 /nfs/dbraw/zinc/23/30/58/188233058.db2.gz PJZKWRJWGATBFF-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835763 538114166 /nfs/dbraw/zinc/11/41/66/538114166.db2.gz FFLIKYSRAQULQR-VHSXEESVSA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(N[C@@H](C)c2cccnc2)[nH+]c1 ZINC000225835602 538114209 /nfs/dbraw/zinc/11/42/09/538114209.db2.gz CGRJTDKLHRHDLV-JTQLQIEISA-N 1 2 229.283 2.658 20 0 BFADLO COc1ccc(N[C@@H](C)c2nccs2)[nH+]c1 ZINC000225834644 538114276 /nfs/dbraw/zinc/11/42/76/538114276.db2.gz WYFIWZFWRZZPEX-QMMMGPOBSA-N 1 2 235.312 2.720 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361059309 188243967 /nfs/dbraw/zinc/24/39/67/188243967.db2.gz SKUBLXSLQCGIEM-GHMZBOCLSA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361059309 188243968 /nfs/dbraw/zinc/24/39/68/188243968.db2.gz SKUBLXSLQCGIEM-GHMZBOCLSA-N 1 2 233.311 2.515 20 0 BFADLO COc1ccc(NC(C2CC2)C2CC2)[nH+]c1 ZINC000225836577 538114306 /nfs/dbraw/zinc/11/43/06/538114306.db2.gz RJHLWOQGPKJHNH-UHFFFAOYSA-N 1 2 218.300 2.691 20 0 BFADLO c1coc([C@H]2COCC[N@H+]2[C@@H]2C=CCCC2)c1 ZINC000375791204 188251118 /nfs/dbraw/zinc/25/11/18/188251118.db2.gz LOEZUYFGDMGBOL-CHWSQXEVSA-N 1 2 233.311 2.762 20 0 BFADLO c1coc([C@H]2COCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000375791204 188251120 /nfs/dbraw/zinc/25/11/20/188251120.db2.gz LOEZUYFGDMGBOL-CHWSQXEVSA-N 1 2 233.311 2.762 20 0 BFADLO CC(C)[N@H+](C)Cc1ncc(Cl)s1 ZINC000306432593 188330094 /nfs/dbraw/zinc/33/00/94/188330094.db2.gz TZXISQOGUGREBQ-UHFFFAOYSA-N 1 2 204.726 2.637 20 0 BFADLO CC(C)[N@@H+](C)Cc1ncc(Cl)s1 ZINC000306432593 188330096 /nfs/dbraw/zinc/33/00/96/188330096.db2.gz TZXISQOGUGREBQ-UHFFFAOYSA-N 1 2 204.726 2.637 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@H+](CC)CC(F)F)OC ZINC000639062144 353371708 /nfs/dbraw/zinc/37/17/08/353371708.db2.gz RDPJRMIRUVAHEE-NXEZZACHSA-N 1 2 223.307 2.635 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@@H+](CC)CC(F)F)OC ZINC000639062144 353371711 /nfs/dbraw/zinc/37/17/11/353371711.db2.gz RDPJRMIRUVAHEE-NXEZZACHSA-N 1 2 223.307 2.635 20 0 BFADLO C1=C([C@H]2C[C@H]3CC[C@@H]2C3)N2CC[NH+]=C2S1 ZINC000188630126 188349044 /nfs/dbraw/zinc/34/90/44/188349044.db2.gz LGESVGUWZQQROA-AEJSXWLSSA-N 1 2 220.341 2.682 20 0 BFADLO C/C=C(\CC)C(=O)Nc1cc[nH+]cc1C ZINC000191560506 188350957 /nfs/dbraw/zinc/35/09/57/188350957.db2.gz BLUFORNQCUOESW-ONNFQVAWSA-N 1 2 204.273 2.685 20 0 BFADLO Cn1c[nH+]cc1CN(CC1CC1)c1ccccc1 ZINC000267747892 188373761 /nfs/dbraw/zinc/37/37/61/188373761.db2.gz PFISNAUEUHETSQ-UHFFFAOYSA-N 1 2 241.338 2.837 20 0 BFADLO C[C@@H]1CCC[C@H]1[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336919162 188360621 /nfs/dbraw/zinc/36/06/21/188360621.db2.gz FBLJFFBDGUZMDO-MWLCHTKSSA-N 1 2 247.317 2.735 20 0 BFADLO CC(C)[C@H]([NH2+]CCC[C@@H]1CCO1)C(F)(F)F ZINC000639094127 353478017 /nfs/dbraw/zinc/47/80/17/353478017.db2.gz CYJICQHHBBRYKV-ZJUUUORDSA-N 1 2 239.281 2.732 20 0 BFADLO CO[C@H]1CC[C@@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000231682677 353644201 /nfs/dbraw/zinc/64/42/01/353644201.db2.gz XDDXGMACDDCPDI-NEPJUHHUSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2cnn(C(C)C)c2)o1 ZINC000231529089 353619162 /nfs/dbraw/zinc/61/91/62/353619162.db2.gz YDFWQFFYSQGOAE-NSHDSACASA-N 1 2 248.330 2.611 20 0 BFADLO Fc1cccc2c1CC[N@H+](Cc1cncs1)C2 ZINC000123790264 181004656 /nfs/dbraw/zinc/00/46/56/181004656.db2.gz JALKYODWLCZAGS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc2c1CC[N@@H+](Cc1cncs1)C2 ZINC000123790264 181004659 /nfs/dbraw/zinc/00/46/59/181004659.db2.gz JALKYODWLCZAGS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccccc1CCNc1cccc[nH+]1 ZINC000020546621 181011958 /nfs/dbraw/zinc/01/19/58/181011958.db2.gz AVWFEXALHFPDGO-UHFFFAOYSA-N 1 2 216.259 2.875 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCCc2occc2C1 ZINC000336224664 181020505 /nfs/dbraw/zinc/02/05/05/181020505.db2.gz XYQYKCHKEWVLPF-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1cnccc1C[N@H+]1CCCc2occc2C1 ZINC000336224664 181020506 /nfs/dbraw/zinc/02/05/06/181020506.db2.gz XYQYKCHKEWVLPF-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1c[nH+]ccc1NCc1ccsc1 ZINC000307478086 181021219 /nfs/dbraw/zinc/02/12/19/181021219.db2.gz IIIIYGPCDWUACS-UHFFFAOYSA-N 1 2 208.261 2.894 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000178410266 366122476 /nfs/dbraw/zinc/12/24/76/366122476.db2.gz FYBWDBKHLSLMLY-JTQLQIEISA-N 1 2 232.327 2.991 20 0 BFADLO CC/C=C\CCSCCn1cc[nH+]c1 ZINC000343449706 353892122 /nfs/dbraw/zinc/89/21/22/353892122.db2.gz WTYBMFNKCQHQMK-ARJAWSKDSA-N 1 2 210.346 2.973 20 0 BFADLO CO[C@H](C[NH2+]C1(C(F)F)CC1)C1CCCC1 ZINC000639139090 353855429 /nfs/dbraw/zinc/85/54/29/353855429.db2.gz FJXNXLWXQVICEJ-SNVBAGLBSA-N 1 2 233.302 2.579 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000343778525 353987609 /nfs/dbraw/zinc/98/76/09/353987609.db2.gz KVCCGPNCZODGCF-BXKDBHETSA-N 1 2 231.343 2.874 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000334551878 353992302 /nfs/dbraw/zinc/99/23/02/353992302.db2.gz DTOPZFQMNGWPAF-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cc2ccc(F)cc2[nH]1 ZINC000334551878 353992305 /nfs/dbraw/zinc/99/23/05/353992305.db2.gz DTOPZFQMNGWPAF-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000343802749 354007630 /nfs/dbraw/zinc/00/76/30/354007630.db2.gz DZFVCCVXHXNGLY-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000343802749 354007631 /nfs/dbraw/zinc/00/76/31/354007631.db2.gz DZFVCCVXHXNGLY-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1nc(NC[C@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000230431418 363311517 /nfs/dbraw/zinc/31/15/17/363311517.db2.gz WAFBPTPTCFXOLR-ONGXEEELSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC(C)(C)CC2)no1 ZINC000334574484 354105023 /nfs/dbraw/zinc/10/50/23/354105023.db2.gz HRLWYDAJYAVBDN-SECBINFHSA-N 1 2 223.320 2.561 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CCCCO1 ZINC000334591279 354222694 /nfs/dbraw/zinc/22/26/94/354222694.db2.gz SKOJRIZRPZWQGR-LBPRGKRZSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCCCO1 ZINC000334591277 354222790 /nfs/dbraw/zinc/22/27/90/354222790.db2.gz SKOJRIZRPZWQGR-GFCCVEGCSA-N 1 2 248.326 2.596 20 0 BFADLO Fc1cccc2nc(N3CCCC[NH2+]3)sc21 ZINC000334605806 354312461 /nfs/dbraw/zinc/31/24/61/354312461.db2.gz KLDMGXOUNGIZTF-UHFFFAOYSA-N 1 2 237.303 2.540 20 0 BFADLO CC(C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000039338902 358486009 /nfs/dbraw/zinc/48/60/09/358486009.db2.gz LRPHWRVWTPHWDT-UHFFFAOYSA-N 1 2 243.310 2.857 20 0 BFADLO c1cc(C[N@@H+]2CC[C@H]2c2ccccc2)no1 ZINC000334606738 354313397 /nfs/dbraw/zinc/31/33/97/354313397.db2.gz AGQLLVVKPVMUFM-ZDUSSCGKSA-N 1 2 214.268 2.622 20 0 BFADLO c1cc(C[N@H+]2CC[C@H]2c2ccccc2)no1 ZINC000334606738 354313399 /nfs/dbraw/zinc/31/33/99/354313399.db2.gz AGQLLVVKPVMUFM-ZDUSSCGKSA-N 1 2 214.268 2.622 20 0 BFADLO Cc1occc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000334668075 354407394 /nfs/dbraw/zinc/40/73/94/354407394.db2.gz HMOCEBXVKAYSNZ-SKDRFNHKSA-N 1 2 231.299 2.580 20 0 BFADLO c1ccc(NC[C@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000334678764 354423486 /nfs/dbraw/zinc/42/34/86/354423486.db2.gz GSARQRCRZCDIKR-LBPRGKRZSA-N 1 2 232.327 2.843 20 0 BFADLO Cc1cc(N2CCSC3(CCC3)CC2)nc[nH+]1 ZINC000334653890 354447278 /nfs/dbraw/zinc/44/72/78/354447278.db2.gz WYCKWEOVVRTTEV-UHFFFAOYSA-N 1 2 249.383 2.651 20 0 BFADLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000334654656 354447869 /nfs/dbraw/zinc/44/78/69/354447869.db2.gz QXYIUJJOPNVLHR-SNVBAGLBSA-N 1 2 249.358 2.840 20 0 BFADLO Cn1c[nH+]cc1CSc1ccc(Cl)cn1 ZINC000334658438 354454276 /nfs/dbraw/zinc/45/42/76/354454276.db2.gz KYIQOFHTRSLPKP-UHFFFAOYSA-N 1 2 239.731 2.761 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1=CC[C@H](C)CC1 ZINC000334697702 354489208 /nfs/dbraw/zinc/48/92/08/354489208.db2.gz WIZRRZDSOKODTM-JTQLQIEISA-N 1 2 246.310 2.775 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000334698366 354490695 /nfs/dbraw/zinc/49/06/95/354490695.db2.gz RPLNJBYMLKJLCX-CYBMUJFWSA-N 1 2 247.342 2.961 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)C1CCCCC1 ZINC000334698969 354491108 /nfs/dbraw/zinc/49/11/08/354491108.db2.gz ZGCSXVBTCXTHHM-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO CC(C)C(C)(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334714309 354511895 /nfs/dbraw/zinc/51/18/95/354511895.db2.gz MOVWQZMUSSMPBW-GHMZBOCLSA-N 1 2 249.358 2.687 20 0 BFADLO CC(C)C(C)(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000334714310 354512028 /nfs/dbraw/zinc/51/20/28/354512028.db2.gz MOVWQZMUSSMPBW-MNOVXSKESA-N 1 2 249.358 2.687 20 0 BFADLO CC(C)n1cc(C[NH+]2CC3(C2)CCCCC3)nn1 ZINC000334716851 354515850 /nfs/dbraw/zinc/51/58/50/354515850.db2.gz YLCCXOHIBXSFQH-UHFFFAOYSA-N 1 2 248.374 2.625 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000334725127 354525282 /nfs/dbraw/zinc/52/52/82/354525282.db2.gz HEKFANYUCQSPAL-UHFFFAOYSA-N 1 2 232.302 2.629 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000334725127 354525284 /nfs/dbraw/zinc/52/52/84/354525284.db2.gz HEKFANYUCQSPAL-UHFFFAOYSA-N 1 2 232.302 2.629 20 0 BFADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335097846 354638163 /nfs/dbraw/zinc/63/81/63/354638163.db2.gz WNPGKKRWHJPABA-ZETCQYMHSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000335097846 354638167 /nfs/dbraw/zinc/63/81/67/354638167.db2.gz WNPGKKRWHJPABA-ZETCQYMHSA-N 1 2 245.273 2.628 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCCC[C@H]2C)no1 ZINC000053602541 363418755 /nfs/dbraw/zinc/41/87/55/363418755.db2.gz CMFFADLUHLUGJE-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CCCC[C@H]2C)no1 ZINC000053602541 363418758 /nfs/dbraw/zinc/41/87/58/363418758.db2.gz CMFFADLUHLUGJE-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO Cc1cc(NCc2nccs2)nc(C(C)C)[nH+]1 ZINC000040444439 358491610 /nfs/dbraw/zinc/49/16/10/358491610.db2.gz YODZROYFTLOHJY-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000346519531 354973894 /nfs/dbraw/zinc/97/38/94/354973894.db2.gz HCDNRTYXZCUGFB-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1ccc(CCn2cc[nH+]c2)cc1 ZINC000346619593 354994904 /nfs/dbraw/zinc/99/49/04/354994904.db2.gz MFFLPAAKWWHPBJ-UHFFFAOYSA-N 1 2 200.285 2.688 20 0 BFADLO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2cccc(O)c2)C1 ZINC000040502277 358492801 /nfs/dbraw/zinc/49/28/01/358492801.db2.gz HHUWMKKHGIXMTF-JSGCOSHPSA-N 1 2 248.370 2.527 20 0 BFADLO CC[N@H+]1CCC[C@H](N[C@@H](C)c2cccc(O)c2)C1 ZINC000040502277 358492802 /nfs/dbraw/zinc/49/28/02/358492802.db2.gz HHUWMKKHGIXMTF-JSGCOSHPSA-N 1 2 248.370 2.527 20 0 BFADLO CC1(C)C[NH+](Cc2csnn2)CC(C)(C)C1 ZINC000335205563 355040689 /nfs/dbraw/zinc/04/06/89/355040689.db2.gz YKWJVOXBLFGTEZ-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO Cc1nc(N2CC[C@H](C(F)(F)F)[C@@H]2C)cc[nH+]1 ZINC000335215089 355053258 /nfs/dbraw/zinc/05/32/58/355053258.db2.gz BMXQLFQFEKZOMZ-CBAPKCEASA-N 1 2 245.248 2.562 20 0 BFADLO Cc1nc(COc2cc[nH+]cc2)c(C)s1 ZINC000335231789 355092301 /nfs/dbraw/zinc/09/23/01/355092301.db2.gz YZRYGKBYOOZCGA-UHFFFAOYSA-N 1 2 220.297 2.734 20 0 BFADLO Cc1cc(NC(=O)C[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346817904 355124303 /nfs/dbraw/zinc/12/43/03/355124303.db2.gz PNLINLPRNSXCHC-WCQYABFASA-N 1 2 246.354 2.967 20 0 BFADLO CC1(C)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000347002101 355199685 /nfs/dbraw/zinc/19/96/85/355199685.db2.gz UJVHQGHSUBSBEG-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO OC1(CCSc2[nH+]cc3ccccn32)CCC1 ZINC000412981587 191330180 /nfs/dbraw/zinc/33/01/80/191330180.db2.gz FXYMKJNSJKNAIN-UHFFFAOYSA-N 1 2 248.351 2.732 20 0 BFADLO CC1(CNc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000413180788 191361032 /nfs/dbraw/zinc/36/10/32/191361032.db2.gz PPLLKEJGUSCLNQ-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CC1(CNc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000413180788 191361034 /nfs/dbraw/zinc/36/10/34/191361034.db2.gz PPLLKEJGUSCLNQ-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CC(C)[C@@]1(C)C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000413445242 191384431 /nfs/dbraw/zinc/38/44/31/191384431.db2.gz WLRHVNIJKCLLDT-SMDDNHRTSA-N 1 2 231.343 2.622 20 0 BFADLO CC[C@@]1(C)CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413186043 191362128 /nfs/dbraw/zinc/36/21/28/191362128.db2.gz AOJOWGARPXYRIL-AWEZNQCLSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@@]1(C)CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413186043 191362131 /nfs/dbraw/zinc/36/21/31/191362131.db2.gz AOJOWGARPXYRIL-AWEZNQCLSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413290988 191368958 /nfs/dbraw/zinc/36/89/58/191368958.db2.gz JIAABLAVUMIQFA-JTQLQIEISA-N 1 2 232.331 2.651 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413290988 191368961 /nfs/dbraw/zinc/36/89/61/191368961.db2.gz JIAABLAVUMIQFA-JTQLQIEISA-N 1 2 232.331 2.651 20 0 BFADLO Cc1cc(NCC2(C3CCC3)CCC2)nc[nH+]1 ZINC000413341697 191372277 /nfs/dbraw/zinc/37/22/77/191372277.db2.gz RFPKDVIISPRQKW-UHFFFAOYSA-N 1 2 231.343 2.589 20 0 BFADLO CCC1CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000413365505 191374906 /nfs/dbraw/zinc/37/49/06/191374906.db2.gz PAUZQKBADKSLIR-UHFFFAOYSA-N 1 2 219.332 2.755 20 0 BFADLO FC(F)c1ccc(C[NH+]2CC(C(F)F)C2)cn1 ZINC000639252621 355289374 /nfs/dbraw/zinc/28/93/74/355289374.db2.gz MYYMWLSXFVPUHL-UHFFFAOYSA-N 1 2 248.223 2.716 20 0 BFADLO CC(C)n1ncnc1C[NH+]1CC2(C1)CCCCC2 ZINC000639250175 355282564 /nfs/dbraw/zinc/28/25/64/355282564.db2.gz KFOLUWFMGBYYFL-UHFFFAOYSA-N 1 2 248.374 2.625 20 0 BFADLO CCC1(CC)C[NH+](Cc2ncc(C)o2)C1 ZINC000639250417 355283444 /nfs/dbraw/zinc/28/34/44/355283444.db2.gz PJODXOHJASOJIZ-UHFFFAOYSA-N 1 2 208.305 2.605 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000583505224 355338727 /nfs/dbraw/zinc/33/87/27/355338727.db2.gz XFYQQBWBPNLYBC-GFCCVEGCSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000583505224 355338729 /nfs/dbraw/zinc/33/87/29/355338729.db2.gz XFYQQBWBPNLYBC-GFCCVEGCSA-N 1 2 239.338 2.572 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccon1 ZINC000349206134 355355401 /nfs/dbraw/zinc/35/54/01/355355401.db2.gz XRLKOVRGOHASOY-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO FC1=CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000335778528 355404708 /nfs/dbraw/zinc/40/47/08/355404708.db2.gz ICHQRVCQZKLYSF-UHFFFAOYSA-N 1 2 229.258 2.693 20 0 BFADLO CO[C@](C)(C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000639290752 355427268 /nfs/dbraw/zinc/42/72/68/355427268.db2.gz VFUDABNCQGAIKQ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@](C)(C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000639290752 355427271 /nfs/dbraw/zinc/42/72/71/355427271.db2.gz VFUDABNCQGAIKQ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccon1 ZINC000349828662 355486605 /nfs/dbraw/zinc/48/66/05/355486605.db2.gz BEYNYOBFPWOYQB-RKDXNWHRSA-N 1 2 235.262 2.621 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccon2)cn1 ZINC000349829893 355486919 /nfs/dbraw/zinc/48/69/19/355486919.db2.gz IIZOYZCXBIFOEH-GHMZBOCLSA-N 1 2 248.330 2.864 20 0 BFADLO C[NH2+]Cc1noc(CCCC2CCCCC2)n1 ZINC000349931202 355529646 /nfs/dbraw/zinc/52/96/46/355529646.db2.gz AIAJCLRSXYHCMQ-UHFFFAOYSA-N 1 2 237.347 2.692 20 0 BFADLO C[NH2+]Cc1noc([C@H](C)Sc2ccccc2)n1 ZINC000349938182 355531998 /nfs/dbraw/zinc/53/19/98/355531998.db2.gz WLVDFEKURZTYLY-VIFPVBQESA-N 1 2 249.339 2.642 20 0 BFADLO C[NH2+]Cc1noc(C[C@H](C)C2CCCCC2)n1 ZINC000349873446 355513533 /nfs/dbraw/zinc/51/35/33/355513533.db2.gz AGMWARGSCKVFSU-JTQLQIEISA-N 1 2 237.347 2.548 20 0 BFADLO C[NH2+]Cc1noc(C2CCC(C(C)C)CC2)n1 ZINC000349886805 355518984 /nfs/dbraw/zinc/51/89/84/355518984.db2.gz YBXPMQXWBMNUGI-UHFFFAOYSA-N 1 2 237.347 2.719 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1[nH+]cccc1SC ZINC000639292662 355523957 /nfs/dbraw/zinc/52/39/57/355523957.db2.gz MQKDFJHZYPXFSK-DTWKUNHWSA-N 1 2 226.345 2.639 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCO1 ZINC000639295249 355578388 /nfs/dbraw/zinc/57/83/88/355578388.db2.gz OYZZAQVZDLKCMO-GXFFZTMASA-N 1 2 220.316 2.623 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC(C)(C)C[C@H]1C ZINC000583575455 355657963 /nfs/dbraw/zinc/65/79/63/355657963.db2.gz GBSYIZOLSYUCHC-SNVBAGLBSA-N 1 2 219.332 2.718 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1Cc2cnn(C)c2C1 ZINC000639320355 355720264 /nfs/dbraw/zinc/72/02/64/355720264.db2.gz KURWSLQARKIWIA-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1Cc2cnn(C)c2C1 ZINC000639320355 355720267 /nfs/dbraw/zinc/72/02/67/355720267.db2.gz KURWSLQARKIWIA-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3cnn(C)c3C2)cc1C ZINC000639326376 355726861 /nfs/dbraw/zinc/72/68/61/355726861.db2.gz ZRBCFDWNUGENSZ-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3cnn(C)c3C2)cc1C ZINC000639326376 355726865 /nfs/dbraw/zinc/72/68/65/355726865.db2.gz ZRBCFDWNUGENSZ-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO CCc1cnc(C[NH+]2CC(CC(F)F)C2)s1 ZINC000425368127 191829807 /nfs/dbraw/zinc/82/98/07/191829807.db2.gz VXGAESKVCJKZBE-UHFFFAOYSA-N 1 2 246.326 2.793 20 0 BFADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CCCCO1 ZINC000639362330 355816991 /nfs/dbraw/zinc/81/69/91/355816991.db2.gz CLZJSXQBEKXZIJ-BXUZGUMPSA-N 1 2 249.358 2.517 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2c1cccc2F ZINC000417979908 191948071 /nfs/dbraw/zinc/94/80/71/191948071.db2.gz AAVNVKSFHBSYMN-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO CC1(C)C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000639392902 356061907 /nfs/dbraw/zinc/06/19/07/356061907.db2.gz BUIWUOZHNJHPFW-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO COc1ccc(F)c(C[N@H+](C)Cc2ccc[nH]2)c1 ZINC000351732360 356072270 /nfs/dbraw/zinc/07/22/70/356072270.db2.gz QVGSNNTXZMYGKS-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO COc1ccc(F)c(C[N@@H+](C)Cc2ccc[nH]2)c1 ZINC000351732360 356072275 /nfs/dbraw/zinc/07/22/75/356072275.db2.gz QVGSNNTXZMYGKS-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO CC1(C)C[NH+](Cc2cccc(O)c2Cl)C1 ZINC000639393574 356080423 /nfs/dbraw/zinc/08/04/23/356080423.db2.gz NSRWXMWCRYXWTO-UHFFFAOYSA-N 1 2 225.719 2.887 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000639433752 356211056 /nfs/dbraw/zinc/21/10/56/356211056.db2.gz OHKUBCLXZHQPCY-HZMBPMFUSA-N 1 2 247.338 2.956 20 0 BFADLO CC(=O)C[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000639433752 356211058 /nfs/dbraw/zinc/21/10/58/356211058.db2.gz OHKUBCLXZHQPCY-HZMBPMFUSA-N 1 2 247.338 2.956 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000639433754 356211190 /nfs/dbraw/zinc/21/11/90/356211190.db2.gz OHKUBCLXZHQPCY-QMTHXVAHSA-N 1 2 247.338 2.956 20 0 BFADLO CC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000639433754 356211193 /nfs/dbraw/zinc/21/11/93/356211193.db2.gz OHKUBCLXZHQPCY-QMTHXVAHSA-N 1 2 247.338 2.956 20 0 BFADLO C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(F)F ZINC000336104937 134084428 /nfs/dbraw/zinc/08/44/28/134084428.db2.gz HEJBUNQWRLUNRC-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(F)F ZINC000336104937 134084429 /nfs/dbraw/zinc/08/44/29/134084429.db2.gz HEJBUNQWRLUNRC-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1C ZINC000449762626 202027637 /nfs/dbraw/zinc/02/76/37/202027637.db2.gz JXELNCQLJRTHNZ-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1C ZINC000449762626 202027640 /nfs/dbraw/zinc/02/76/40/202027640.db2.gz JXELNCQLJRTHNZ-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CC(=O)C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000639454068 356238294 /nfs/dbraw/zinc/23/82/94/356238294.db2.gz OORDLOJWKSQZDG-SECBINFHSA-N 1 2 227.254 2.547 20 0 BFADLO CC(=O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000639454068 356238299 /nfs/dbraw/zinc/23/82/99/356238299.db2.gz OORDLOJWKSQZDG-SECBINFHSA-N 1 2 227.254 2.547 20 0 BFADLO Cc1c[nH]c(-c2ccccc2NC(=O)C(C)C)[nH+]1 ZINC000336107921 134085266 /nfs/dbraw/zinc/08/52/66/134085266.db2.gz IYAXBQHHTJGJGJ-UHFFFAOYSA-N 1 2 243.310 2.980 20 0 BFADLO CC(=O)C[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000639518766 356362539 /nfs/dbraw/zinc/36/25/39/356362539.db2.gz BLZUMGFTXISONR-JTQLQIEISA-N 1 2 248.351 2.878 20 0 BFADLO CC(=O)C[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000639518766 356362540 /nfs/dbraw/zinc/36/25/40/356362540.db2.gz BLZUMGFTXISONR-JTQLQIEISA-N 1 2 248.351 2.878 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C)c[nH+]1 ZINC000547540608 356365165 /nfs/dbraw/zinc/36/51/65/356365165.db2.gz AGUDOUBLWDGPDI-DOMZBBRYSA-N 1 2 246.354 2.741 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(CC)(CO)CC1 ZINC000639553933 356455288 /nfs/dbraw/zinc/45/52/88/356455288.db2.gz RHDFSMSANYXSJP-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000352219609 134108710 /nfs/dbraw/zinc/10/87/10/134108710.db2.gz DTVXAMUKVTZWIH-JQWIXIFHSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@H](F)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000352219609 134108711 /nfs/dbraw/zinc/10/87/11/134108711.db2.gz DTVXAMUKVTZWIH-JQWIXIFHSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000420657234 192256502 /nfs/dbraw/zinc/25/65/02/192256502.db2.gz WMOPYUIIBGDUQU-NSHDSACASA-N 1 2 234.347 2.535 20 0 BFADLO CC[C@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000420657234 192256505 /nfs/dbraw/zinc/25/65/05/192256505.db2.gz WMOPYUIIBGDUQU-NSHDSACASA-N 1 2 234.347 2.535 20 0 BFADLO CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)C(C)C ZINC000420694748 192257345 /nfs/dbraw/zinc/25/73/45/192257345.db2.gz CNUZASDOJDFEHE-UHFFFAOYSA-N 1 2 249.358 2.638 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000639573101 356496537 /nfs/dbraw/zinc/49/65/37/356496537.db2.gz XFMFKXLIHINOFF-GHMZBOCLSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000639573101 356496540 /nfs/dbraw/zinc/49/65/40/356496540.db2.gz XFMFKXLIHINOFF-GHMZBOCLSA-N 1 2 235.318 2.515 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000420946570 192276362 /nfs/dbraw/zinc/27/63/62/192276362.db2.gz MCVMXSZUVXZKMS-VIFPVBQESA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000420946570 192276364 /nfs/dbraw/zinc/27/63/64/192276364.db2.gz MCVMXSZUVXZKMS-VIFPVBQESA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000420946569 192276914 /nfs/dbraw/zinc/27/69/14/192276914.db2.gz MCVMXSZUVXZKMS-SECBINFHSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000420946569 192276917 /nfs/dbraw/zinc/27/69/17/192276917.db2.gz MCVMXSZUVXZKMS-SECBINFHSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000420953062 192278761 /nfs/dbraw/zinc/27/87/61/192278761.db2.gz SLNZYNAMFBRAFD-VIFPVBQESA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000420953062 192278763 /nfs/dbraw/zinc/27/87/63/192278763.db2.gz SLNZYNAMFBRAFD-VIFPVBQESA-N 1 2 247.264 2.574 20 0 BFADLO CC[C@@H]1C[NH+](Cc2nccs2)C[C@@H](CC)O1 ZINC000420955454 192279053 /nfs/dbraw/zinc/27/90/53/192279053.db2.gz LQZRINQGXHINOR-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1ccncc1 ZINC000301406655 356531610 /nfs/dbraw/zinc/53/16/10/356531610.db2.gz VDDQJVJBXBPLIR-GFCCVEGCSA-N 1 2 228.299 2.743 20 0 BFADLO CCN(Cc1cccs1)c1cc(C)[nH+]cn1 ZINC000301276004 356516856 /nfs/dbraw/zinc/51/68/56/356516856.db2.gz WOWQUPXLKREHKA-UHFFFAOYSA-N 1 2 233.340 2.873 20 0 BFADLO O[C@H]1C[C@@H](C[N@H+](CC2CC2)c2ccccc2)C1 ZINC000420935517 192287506 /nfs/dbraw/zinc/28/75/06/192287506.db2.gz LRWALOQHBKZLJK-OTVXOJSOSA-N 1 2 231.339 2.674 20 0 BFADLO O[C@H]1C[C@@H](C[N@@H+](CC2CC2)c2ccccc2)C1 ZINC000420935517 192287508 /nfs/dbraw/zinc/28/75/08/192287508.db2.gz LRWALOQHBKZLJK-OTVXOJSOSA-N 1 2 231.339 2.674 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@](C)(F)C2)[nH+]1 ZINC000336185186 134121267 /nfs/dbraw/zinc/12/12/67/134121267.db2.gz SRAWZXLYUSVGTP-ZDUSSCGKSA-N 1 2 248.305 2.595 20 0 BFADLO c1c[nH+]c(COCCSC2CCCCC2)[nH]1 ZINC000619689132 363470790 /nfs/dbraw/zinc/47/07/90/363470790.db2.gz OCSKSKBFXSPQRD-UHFFFAOYSA-N 1 2 240.372 2.992 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(CC3CC3)no2)c1 ZINC000350523596 366289190 /nfs/dbraw/zinc/28/91/90/366289190.db2.gz FDINDHXRKNIRRH-UHFFFAOYSA-N 1 2 243.310 2.511 20 0 BFADLO CC[C@H](C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000421105218 192312409 /nfs/dbraw/zinc/31/24/09/192312409.db2.gz BLANIDGVMFEGQB-VIFPVBQESA-N 1 2 235.331 2.866 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CC[C@@H](CO)C2)c1Cl ZINC000336198705 134128177 /nfs/dbraw/zinc/12/81/77/134128177.db2.gz OPRSBVLCUYUQFU-ZJUUUORDSA-N 1 2 240.734 2.616 20 0 BFADLO CCCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000421185613 192313793 /nfs/dbraw/zinc/31/37/93/192313793.db2.gz CLMMATODULARPS-BETUJISGSA-N 1 2 249.354 2.967 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000421192072 192314015 /nfs/dbraw/zinc/31/40/15/192314015.db2.gz VIPZLNTXOYRANI-TXEJJXNPSA-N 1 2 235.327 2.577 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1cccc(C2CC2)c1 ZINC000421322465 192317716 /nfs/dbraw/zinc/31/77/16/192317716.db2.gz SVXKQAMUUYGNQK-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1cccc(C2CC2)c1 ZINC000421322465 192317719 /nfs/dbraw/zinc/31/77/19/192317719.db2.gz SVXKQAMUUYGNQK-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)CC2CCC2)nn1C ZINC000421328343 192318345 /nfs/dbraw/zinc/31/83/45/192318345.db2.gz LYQGEFNAGSDIIK-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)CC2CCC2)nn1C ZINC000421328343 192318346 /nfs/dbraw/zinc/31/83/46/192318346.db2.gz LYQGEFNAGSDIIK-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336214328 134136078 /nfs/dbraw/zinc/13/60/78/134136078.db2.gz HOPLOBYWYNHAAW-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1cc(C[N@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336214328 134136079 /nfs/dbraw/zinc/13/60/79/134136079.db2.gz HOPLOBYWYNHAAW-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)c1nnc(C[NH+]2[C@H](C)C[C@H]2C)s1 ZINC000336204282 134131724 /nfs/dbraw/zinc/13/17/24/134131724.db2.gz ZDHYYNNIJXWHCC-RKDXNWHRSA-N 1 2 225.361 2.644 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)CCC2CC2)nn1C ZINC000421319981 192317165 /nfs/dbraw/zinc/31/71/65/192317165.db2.gz OSBSMJKBALQQDI-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)CCC2CC2)nn1C ZINC000421319981 192317166 /nfs/dbraw/zinc/31/71/66/192317166.db2.gz OSBSMJKBALQQDI-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO c1coc([C@@H]2N(Cc3c[nH+]c[nH]3)CC23CCC3)c1 ZINC000336211701 134134531 /nfs/dbraw/zinc/13/45/31/134134531.db2.gz HXJTZSNOZZMSHZ-ZDUSSCGKSA-N 1 2 243.310 2.730 20 0 BFADLO CC1(C)CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000302343643 356617621 /nfs/dbraw/zinc/61/76/21/356617621.db2.gz ANKKCMJCFHBQIS-NSHDSACASA-N 1 2 247.342 2.724 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000639719334 356620165 /nfs/dbraw/zinc/62/01/65/356620165.db2.gz CJYVQWIUNLSOOW-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000639719334 356620169 /nfs/dbraw/zinc/62/01/69/356620169.db2.gz CJYVQWIUNLSOOW-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CCC(F)(F)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000639748715 356642112 /nfs/dbraw/zinc/64/21/12/356642112.db2.gz BBRONSSGVARWGI-UWVGGRQHSA-N 1 2 203.276 2.906 20 0 BFADLO CCC(F)(F)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000639748715 356642114 /nfs/dbraw/zinc/64/21/14/356642114.db2.gz BBRONSSGVARWGI-UWVGGRQHSA-N 1 2 203.276 2.906 20 0 BFADLO Cc1cnccc1C[NH2+][C@H](C)C(C)(F)F ZINC000389438986 356671979 /nfs/dbraw/zinc/67/19/79/356671979.db2.gz GGFBTXSIHLODFZ-SECBINFHSA-N 1 2 214.259 2.523 20 0 BFADLO CCc1cc(NCC(C)(C)CCOC)nc[nH+]1 ZINC000230842934 491101332 /nfs/dbraw/zinc/10/13/32/491101332.db2.gz VENZTBUUJKHDII-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1)C(C)(F)F ZINC000389482909 356688949 /nfs/dbraw/zinc/68/89/49/356688949.db2.gz XRMIJYWLHHWRHI-DTWKUNHWSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccncc1 ZINC000389482911 356689032 /nfs/dbraw/zinc/68/90/32/356689032.db2.gz XRMIJYWLHHWRHI-RKDXNWHRSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccncc1 ZINC000389482910 356689084 /nfs/dbraw/zinc/68/90/84/356689084.db2.gz XRMIJYWLHHWRHI-IUCAKERBSA-N 1 2 214.259 2.776 20 0 BFADLO CC(=O)[C@@H](C)SCc1c[nH+]c2ccccn12 ZINC000179903762 366332166 /nfs/dbraw/zinc/33/21/66/366332166.db2.gz AWAQMZQOQHSNSL-SNVBAGLBSA-N 1 2 234.324 2.545 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)(F)F ZINC000389470162 356683783 /nfs/dbraw/zinc/68/37/83/356683783.db2.gz PPHRBMSXQOXSNC-MRVPVSSYSA-N 1 2 217.234 2.959 20 0 BFADLO Cc1ncccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389476285 356685189 /nfs/dbraw/zinc/68/51/89/356685189.db2.gz ZYSZBMIZAHFUKF-VIFPVBQESA-N 1 2 214.259 2.523 20 0 BFADLO CCC[C@@](C)([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450419801 202159991 /nfs/dbraw/zinc/15/99/91/202159991.db2.gz OYVADMCWNZZJMW-CQSZACIVSA-N 1 2 239.359 2.808 20 0 BFADLO COc1cc(Cl)ccc1Cn1cc[nH+]c1 ZINC000168282885 134164116 /nfs/dbraw/zinc/16/41/16/134164116.db2.gz VQVAKQOXNVONIU-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO C[C@H]1OCC[C@H]1SCc1c[nH+]c2ccccn12 ZINC000180003911 366352681 /nfs/dbraw/zinc/35/26/81/366352681.db2.gz XXIHCOCRSAOIIP-ZYHUDNBSSA-N 1 2 248.351 2.745 20 0 BFADLO C[C@H]1OCC[C@@H]1SCc1c[nH+]c2ccccn12 ZINC000180003941 366352777 /nfs/dbraw/zinc/35/27/77/366352777.db2.gz XXIHCOCRSAOIIP-PWSUYJOCSA-N 1 2 248.351 2.745 20 0 BFADLO CC[C@@H](O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000354852900 356745353 /nfs/dbraw/zinc/74/53/53/356745353.db2.gz RJGXCOBELRWFSJ-GFCCVEGCSA-N 1 2 248.301 2.947 20 0 BFADLO c1cn2c(cccc2C[NH+]2Cc3ccccc3C2)n1 ZINC000180073129 366370211 /nfs/dbraw/zinc/37/02/11/366370211.db2.gz VZMZAIGXFSYXAE-UHFFFAOYSA-N 1 2 249.317 2.850 20 0 BFADLO c1cn2c(cccc2CN2Cc3ccccc3C2)[nH+]1 ZINC000180073129 366370218 /nfs/dbraw/zinc/37/02/18/366370218.db2.gz VZMZAIGXFSYXAE-UHFFFAOYSA-N 1 2 249.317 2.850 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1csnn1 ZINC000356507279 356797460 /nfs/dbraw/zinc/79/74/60/356797460.db2.gz PWOZQQUMNBXQAX-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1csnn1 ZINC000356507279 356797467 /nfs/dbraw/zinc/79/74/67/356797467.db2.gz PWOZQQUMNBXQAX-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO CCC(F)(F)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000639839015 356833822 /nfs/dbraw/zinc/83/38/22/356833822.db2.gz YFZKDNAJJIYUIR-UHFFFAOYSA-N 1 2 245.313 2.867 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ccns2)nc1 ZINC000639809278 356782940 /nfs/dbraw/zinc/78/29/40/356782940.db2.gz QXSMUKXQAQKFRQ-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ccns2)nc1 ZINC000639809278 356782944 /nfs/dbraw/zinc/78/29/44/356782944.db2.gz QXSMUKXQAQKFRQ-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CC[C@@H](SC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000362397135 356944359 /nfs/dbraw/zinc/94/43/59/356944359.db2.gz PVKSRLVQCXPZKE-SNVBAGLBSA-N 1 2 238.356 2.779 20 0 BFADLO c1cc(NCC2=CCCCC2)nc(C2CC2)[nH+]1 ZINC000450580028 202203469 /nfs/dbraw/zinc/20/34/69/202203469.db2.gz DPEQNTGUTGWJRH-UHFFFAOYSA-N 1 2 229.327 2.688 20 0 BFADLO CC1=C[C@@H](C)C[C@@H](CNc2c[nH]c[nH+]2)C1 ZINC000389711171 357018018 /nfs/dbraw/zinc/01/80/18/357018018.db2.gz MJIJCKJCAKJEHW-MWLCHTKSSA-N 1 2 205.305 2.814 20 0 BFADLO COc1ccc[nH+]c1NCc1ccc(Cl)o1 ZINC000390522871 357100850 /nfs/dbraw/zinc/10/08/50/357100850.db2.gz FUMZHSQWKBHTRZ-UHFFFAOYSA-N 1 2 238.674 2.949 20 0 BFADLO CCc1nc(C[N@H+](C)Cc2cccn2C)cs1 ZINC000122216623 357170110 /nfs/dbraw/zinc/17/01/10/357170110.db2.gz TVUCTYBRVRPTNZ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1nc(C[N@@H+](C)Cc2cccn2C)cs1 ZINC000122216623 357170113 /nfs/dbraw/zinc/17/01/13/357170113.db2.gz TVUCTYBRVRPTNZ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO O=C(C[NH+](C1CC1)C1CC1)c1ccccc1F ZINC000639892562 357220652 /nfs/dbraw/zinc/22/06/52/357220652.db2.gz KLMPQOOAUDXOKW-UHFFFAOYSA-N 1 2 233.286 2.635 20 0 BFADLO C[C@H]1OCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631183708 357243811 /nfs/dbraw/zinc/24/38/11/357243811.db2.gz AJDNVNLENSNPRS-ZWNOBZJWSA-N 1 2 228.295 2.824 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628426965 357257854 /nfs/dbraw/zinc/25/78/54/357257854.db2.gz XJDTXKWSIZDDCV-YPMHNXCESA-N 1 2 247.338 2.768 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000582494045 357316176 /nfs/dbraw/zinc/31/61/76/357316176.db2.gz MNVMUFSYDQLLSX-NTZNESFSSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000582494045 357316179 /nfs/dbraw/zinc/31/61/79/357316179.db2.gz MNVMUFSYDQLLSX-NTZNESFSSA-N 1 2 235.327 2.624 20 0 BFADLO Cc1[nH]c(CNc2cccc(F)c2)[nH+]c1C ZINC000582736903 357377767 /nfs/dbraw/zinc/37/77/67/357377767.db2.gz LBYRJJHPRTWFDI-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cn1c[nH+]cc1CNc1cncc2ccccc21 ZINC000396418767 357489930 /nfs/dbraw/zinc/48/99/30/357489930.db2.gz DEVKXGTZDARSEU-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO Cc1ccc(C)c([C@@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000231792067 357629643 /nfs/dbraw/zinc/62/96/43/357629643.db2.gz BZUAETGYFFADLN-LLVKDONJSA-N 1 2 243.297 2.582 20 0 BFADLO CC(C)CCc1noc(C[NH+]2CCCCC2)n1 ZINC000063481784 357660116 /nfs/dbraw/zinc/66/01/16/357660116.db2.gz ZRCQCQHHCLHWHF-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO C[C@H](C[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000189496924 357638421 /nfs/dbraw/zinc/63/84/21/357638421.db2.gz KJHJNWBZEAPIRX-LLVKDONJSA-N 1 2 239.746 2.776 20 0 BFADLO CC[C@H](C)C[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000234009167 357768599 /nfs/dbraw/zinc/76/85/99/357768599.db2.gz QJHHMYLQWCZTAW-YUMQZZPRSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@H](C)C[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000234009167 357768603 /nfs/dbraw/zinc/76/86/03/357768603.db2.gz QJHHMYLQWCZTAW-YUMQZZPRSA-N 1 2 242.754 2.949 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1ncccn1 ZINC000191875608 357801293 /nfs/dbraw/zinc/80/12/93/357801293.db2.gz BDYVHUNULWPTNV-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1ncccn1 ZINC000191875608 357801297 /nfs/dbraw/zinc/80/12/97/357801297.db2.gz BDYVHUNULWPTNV-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CCN(C)c1ccc(CNc2cccc[nH+]2)cn1 ZINC000191516249 357782958 /nfs/dbraw/zinc/78/29/58/357782958.db2.gz LZSXBWMGUBBWEQ-UHFFFAOYSA-N 1 2 242.326 2.545 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@@H]1c1ccco1 ZINC000639926401 357851042 /nfs/dbraw/zinc/85/10/42/357851042.db2.gz XELGLSZWOIFFEB-GFCCVEGCSA-N 1 2 232.283 2.851 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@@H]1c1ccco1 ZINC000639926401 357851044 /nfs/dbraw/zinc/85/10/44/357851044.db2.gz XELGLSZWOIFFEB-GFCCVEGCSA-N 1 2 232.283 2.851 20 0 BFADLO CC(C)CCOCC[N@H+](C)Cc1cscn1 ZINC000064516954 357849989 /nfs/dbraw/zinc/84/99/89/357849989.db2.gz KHQWAAIGVXWVTM-UHFFFAOYSA-N 1 2 242.388 2.638 20 0 BFADLO CC(C)CCOCC[N@@H+](C)Cc1cscn1 ZINC000064516954 357849992 /nfs/dbraw/zinc/84/99/92/357849992.db2.gz KHQWAAIGVXWVTM-UHFFFAOYSA-N 1 2 242.388 2.638 20 0 BFADLO CC1=CCC[C@H](C)[C@H]1C[N@H+](CCO)CC(F)F ZINC000193023678 357864916 /nfs/dbraw/zinc/86/49/16/357864916.db2.gz QNTNBGSKRYNDDJ-RYUDHWBXSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=CCC[C@H](C)[C@H]1C[N@@H+](CCO)CC(F)F ZINC000193023678 357864918 /nfs/dbraw/zinc/86/49/18/357864918.db2.gz QNTNBGSKRYNDDJ-RYUDHWBXSA-N 1 2 247.329 2.538 20 0 BFADLO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966349 358156092 /nfs/dbraw/zinc/15/60/92/358156092.db2.gz HAJXLHAPEWOXHZ-SKDRFNHKSA-N 1 2 241.294 2.671 20 0 BFADLO CC(C)c1nnc(C[NH+]2CCC(C)(F)CC2)o1 ZINC000640075716 358172932 /nfs/dbraw/zinc/17/29/32/358172932.db2.gz WVUGSQLVEWROBO-UHFFFAOYSA-N 1 2 241.310 2.517 20 0 BFADLO COC(=O)Cc1ccc(Nc2cccc[nH+]2)cc1 ZINC000039382794 358226057 /nfs/dbraw/zinc/22/60/57/358226057.db2.gz UEPJHUDHEJEHOD-UHFFFAOYSA-N 1 2 242.278 2.541 20 0 BFADLO Cc1nc(C[NH+]2CCC(C(C)(C)C)CC2)no1 ZINC000172031922 134264403 /nfs/dbraw/zinc/26/44/03/134264403.db2.gz GTRUJQPQUGFZFW-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1cncc(NCCCc2[nH+]cccc2C)n1 ZINC000450727299 202246333 /nfs/dbraw/zinc/24/63/33/202246333.db2.gz XXNFLNZHCFJXLI-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO COC[C@H](CC(C)C)Nc1[nH+]cccc1OC ZINC000547544774 325372103 /nfs/dbraw/zinc/37/21/03/325372103.db2.gz NWBRYIQMCIUDIX-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172971540 134271380 /nfs/dbraw/zinc/27/13/80/134271380.db2.gz VNFHYDWOPMMONT-PHIMTYICSA-N 1 2 249.358 2.500 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)no1 ZINC000172971540 134271381 /nfs/dbraw/zinc/27/13/81/134271381.db2.gz VNFHYDWOPMMONT-PHIMTYICSA-N 1 2 249.358 2.500 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)no1 ZINC000044692231 358392647 /nfs/dbraw/zinc/39/26/47/358392647.db2.gz MPVRDKUCNZHBFF-RNCFNFMXSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1[nH+]cccc1Cc1noc([C@@H]2CC2(C)C)n1 ZINC000351231521 366456026 /nfs/dbraw/zinc/45/60/26/366456026.db2.gz JKTUQGZZTKLTDP-NSHDSACASA-N 1 2 243.310 2.877 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CCC2CC2)n1 ZINC000351241135 366456903 /nfs/dbraw/zinc/45/69/03/366456903.db2.gz YJCLWCNGGIYHSZ-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CC2CCC2)n1 ZINC000351240617 366456989 /nfs/dbraw/zinc/45/69/89/366456989.db2.gz XJACIHULVQYSCW-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C2CC=CC2)n1 ZINC000351239655 366457546 /nfs/dbraw/zinc/45/75/46/366457546.db2.gz VWNIEEHVEWYYDY-UHFFFAOYSA-N 1 2 241.294 2.797 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(=O)OC)c1ccc(C)cc1 ZINC000042304428 358520745 /nfs/dbraw/zinc/52/07/45/358520745.db2.gz YITPUHRSUPJSAB-YPMHNXCESA-N 1 2 235.327 2.597 20 0 BFADLO c1csc([C@H]([NH2+]Cc2ccn[nH]2)C2CC2)c1 ZINC000042331674 358521599 /nfs/dbraw/zinc/52/15/99/358521599.db2.gz BIGGMDDARRINJU-GFCCVEGCSA-N 1 2 233.340 2.712 20 0 BFADLO c1csc([C@@H]([NH2+]Cc2ccn[nH]2)C2CC2)c1 ZINC000042331675 358521895 /nfs/dbraw/zinc/52/18/95/358521895.db2.gz BIGGMDDARRINJU-LBPRGKRZSA-N 1 2 233.340 2.712 20 0 BFADLO C[C@H](O)C[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000130355993 358620625 /nfs/dbraw/zinc/62/06/25/358620625.db2.gz VFUBZCBCPCCISD-QWRGUYRKSA-N 1 2 230.311 2.806 20 0 BFADLO CCCCCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000212742904 358621657 /nfs/dbraw/zinc/62/16/57/358621657.db2.gz ZQLSSDHRGBJFAH-UHFFFAOYSA-N 1 2 249.358 2.696 20 0 BFADLO CCCCCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000212742904 358621659 /nfs/dbraw/zinc/62/16/59/358621659.db2.gz ZQLSSDHRGBJFAH-UHFFFAOYSA-N 1 2 249.358 2.696 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000129812834 358598064 /nfs/dbraw/zinc/59/80/64/358598064.db2.gz UJMBDEVKGISLCX-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)cc1 ZINC000129812834 358598068 /nfs/dbraw/zinc/59/80/68/358598068.db2.gz UJMBDEVKGISLCX-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccs1 ZINC000049370449 358684135 /nfs/dbraw/zinc/68/41/35/358684135.db2.gz ODMWXVXAYFKAOM-UWVGGRQHSA-N 1 2 241.356 2.740 20 0 BFADLO CC(C)C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000131797851 358692799 /nfs/dbraw/zinc/69/27/99/358692799.db2.gz SJEISQKICPNGEX-LLVKDONJSA-N 1 2 239.388 2.796 20 0 BFADLO CC(C)C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000131797851 358692800 /nfs/dbraw/zinc/69/28/00/358692800.db2.gz SJEISQKICPNGEX-LLVKDONJSA-N 1 2 239.388 2.796 20 0 BFADLO Fc1ccc(C[NH2+]Cc2cscn2)cc1F ZINC000049577576 358695071 /nfs/dbraw/zinc/69/50/71/358695071.db2.gz QNVJOQINPBEGBI-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000050507534 358733677 /nfs/dbraw/zinc/73/36/77/358733677.db2.gz AOQVJEFOEINVKC-LBPRGKRZSA-N 1 2 235.327 2.536 20 0 BFADLO CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1)C(=O)OC ZINC000134945965 358812037 /nfs/dbraw/zinc/81/20/37/358812037.db2.gz NQCIZPSCKVNHPK-ZIAGYGMSSA-N 1 2 249.354 2.987 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000308487270 491136534 /nfs/dbraw/zinc/13/65/34/491136534.db2.gz AJHCXXLCTUVBSF-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1cc2ccccc2o1 ZINC000135221819 358827470 /nfs/dbraw/zinc/82/74/70/358827470.db2.gz SGISTNXAXVJTDH-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1cc2ccccc2o1 ZINC000135221819 358827472 /nfs/dbraw/zinc/82/74/72/358827472.db2.gz SGISTNXAXVJTDH-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000053608643 358836246 /nfs/dbraw/zinc/83/62/46/358836246.db2.gz CFVBLXCBGPFHJF-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000053608643 358836253 /nfs/dbraw/zinc/83/62/53/358836253.db2.gz CFVBLXCBGPFHJF-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO CCCc1nc(C[N@H+](CC(C)C)C2CC2)no1 ZINC000054985149 358879564 /nfs/dbraw/zinc/87/95/64/358879564.db2.gz PSGKMUZHGKKANU-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](CC(C)C)C2CC2)no1 ZINC000054985149 358879567 /nfs/dbraw/zinc/87/95/67/358879567.db2.gz PSGKMUZHGKKANU-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H](CC)C2)no1 ZINC000054989325 358879875 /nfs/dbraw/zinc/87/98/75/358879875.db2.gz NPYPLFKCALJNRB-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H](CC)C2)no1 ZINC000054989325 358879876 /nfs/dbraw/zinc/87/98/76/358879876.db2.gz NPYPLFKCALJNRB-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCN(C)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000057829255 358907454 /nfs/dbraw/zinc/90/74/54/358907454.db2.gz XTJNOIYLKCBWNI-UHFFFAOYSA-N 1 2 242.326 2.693 20 0 BFADLO C/C=C\CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000626568417 358961498 /nfs/dbraw/zinc/96/14/98/358961498.db2.gz CKQOCKUZOREBDG-WAYWQWQTSA-N 1 2 233.315 2.704 20 0 BFADLO CC[C@H](NC(=O)c1cc(C)oc1C)c1[nH]cc[nH+]1 ZINC000140451953 358922666 /nfs/dbraw/zinc/92/26/66/358922666.db2.gz SYRBUPSOZWWBBF-NSHDSACASA-N 1 2 247.298 2.501 20 0 BFADLO C[C@@H](NC(=O)C[C@H]1CCC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000578347341 366531234 /nfs/dbraw/zinc/53/12/34/366531234.db2.gz ZWEIGJOBDVRYIK-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO CCN(CC(C)(C)C)c1cc(C)[nH+]cn1 ZINC000578337479 366526386 /nfs/dbraw/zinc/52/63/86/366526386.db2.gz HLGMRCAXBHANKD-UHFFFAOYSA-N 1 2 207.321 2.657 20 0 BFADLO FC1(F)CC[C@H](C[N@@H+]2OC3CCC2CC3)C1 ZINC000640229667 358941153 /nfs/dbraw/zinc/94/11/53/358941153.db2.gz BGKQKBSLRPDTTQ-WHXUTIOJSA-N 1 2 231.286 2.980 20 0 BFADLO FC1(F)CC[C@H](C[N@H+]2OC3CCC2CC3)C1 ZINC000640229667 358941155 /nfs/dbraw/zinc/94/11/55/358941155.db2.gz BGKQKBSLRPDTTQ-WHXUTIOJSA-N 1 2 231.286 2.980 20 0 BFADLO Fc1cc2cccnc2c(Cn2cc[nH+]c2)c1 ZINC000073604287 359104874 /nfs/dbraw/zinc/10/48/74/359104874.db2.gz ZGJLKWDQFSKIKF-UHFFFAOYSA-N 1 2 227.242 2.619 20 0 BFADLO COCc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443833 359054257 /nfs/dbraw/zinc/05/42/57/359054257.db2.gz FDXYOORSYRLNAW-LLVKDONJSA-N 1 2 245.326 2.740 20 0 BFADLO COCc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443832 359054724 /nfs/dbraw/zinc/05/47/24/359054724.db2.gz FDXYOORSYRLNAW-NSHDSACASA-N 1 2 245.326 2.740 20 0 BFADLO CCOc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070445113 359055140 /nfs/dbraw/zinc/05/51/40/359055140.db2.gz YUDOBUSOTNDKFT-LLVKDONJSA-N 1 2 245.326 2.992 20 0 BFADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000248333004 359264397 /nfs/dbraw/zinc/26/43/97/359264397.db2.gz FNIHCSFVHFZDRJ-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000248333004 359264399 /nfs/dbraw/zinc/26/43/99/359264399.db2.gz FNIHCSFVHFZDRJ-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1[nH+]c2ccccn2c1CSc1ncc[nH]1 ZINC000079006701 359372469 /nfs/dbraw/zinc/37/24/69/359372469.db2.gz PTZIKZSTDFHKQK-UHFFFAOYSA-N 1 2 244.323 2.658 20 0 BFADLO CNc1ccc(Nc2ncc(Cl)s2)c[nH+]1 ZINC000308934655 491140656 /nfs/dbraw/zinc/14/06/56/491140656.db2.gz KMCAXAORVIEKMA-UHFFFAOYSA-N 1 2 240.719 2.977 20 0 BFADLO Cc1cc(N2C[C@H](C(C)C)[C@@H]2C(C)C)nc[nH+]1 ZINC000450802580 202270180 /nfs/dbraw/zinc/27/01/80/202270180.db2.gz ICFXAXWFRHPTOB-OCCSQVGLSA-N 1 2 233.359 2.902 20 0 BFADLO CC[C@@H](Nc1[nH+]ccc2ccc(F)cc21)[C@@H](C)O ZINC000450801761 202270421 /nfs/dbraw/zinc/27/04/21/202270421.db2.gz SNVVGURNXKDCLC-NOZJJQNGSA-N 1 2 248.301 2.945 20 0 BFADLO Cc1cc(N2C[C@@H](C(C)C)[C@@H]2C(C)C)nc[nH+]1 ZINC000450802579 202271236 /nfs/dbraw/zinc/27/12/36/202271236.db2.gz ICFXAXWFRHPTOB-JSGCOSHPSA-N 1 2 233.359 2.902 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2cnns2)c1 ZINC000450852384 202290444 /nfs/dbraw/zinc/29/04/44/202290444.db2.gz CWNITMYQHXCCFF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2cnns2)c1 ZINC000450852384 202290446 /nfs/dbraw/zinc/29/04/46/202290446.db2.gz CWNITMYQHXCCFF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccoc1CC(=O)Nc1ccc(C)[nH+]c1C ZINC000612226445 359740839 /nfs/dbraw/zinc/74/08/39/359740839.db2.gz MHKSLGBWEFXFOF-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO FC1=CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000306412759 359822289 /nfs/dbraw/zinc/82/22/89/359822289.db2.gz MHLPDCUWCIRMPX-ZETCQYMHSA-N 1 2 224.106 2.739 20 0 BFADLO FC1=CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000306412759 359822293 /nfs/dbraw/zinc/82/22/93/359822293.db2.gz MHLPDCUWCIRMPX-ZETCQYMHSA-N 1 2 224.106 2.739 20 0 BFADLO CC(C)n1cnnc1C[N@H+](C)CC1=CCCCC1 ZINC000451065470 202343521 /nfs/dbraw/zinc/34/35/21/202343521.db2.gz LBLSWYLYHKXVBS-UHFFFAOYSA-N 1 2 248.374 2.791 20 0 BFADLO CC(C)n1cnnc1C[N@@H+](C)CC1=CCCCC1 ZINC000451065470 202343525 /nfs/dbraw/zinc/34/35/25/202343525.db2.gz LBLSWYLYHKXVBS-UHFFFAOYSA-N 1 2 248.374 2.791 20 0 BFADLO F[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000451184688 202373049 /nfs/dbraw/zinc/37/30/49/202373049.db2.gz KRXODFPIIIBTHX-JTQLQIEISA-N 1 2 243.709 2.763 20 0 BFADLO F[C@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000451184688 202373052 /nfs/dbraw/zinc/37/30/52/202373052.db2.gz KRXODFPIIIBTHX-JTQLQIEISA-N 1 2 243.709 2.763 20 0 BFADLO CC[N@H+](Cc1ccc(C(C)C)nc1C)C1COC1 ZINC000451286619 202394970 /nfs/dbraw/zinc/39/49/70/202394970.db2.gz DHAWNUDWIONGRS-UHFFFAOYSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1F ZINC000088255154 359943434 /nfs/dbraw/zinc/94/34/34/359943434.db2.gz RMHLIVNMKPSRTG-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO COC(=O)CCC[N@@H+]1CCCCc2ccccc21 ZINC000088334014 359947303 /nfs/dbraw/zinc/94/73/03/359947303.db2.gz WPCWSFCDFDFIID-UHFFFAOYSA-N 1 2 247.338 2.783 20 0 BFADLO COC(=O)CCC[N@H+]1CCCCc2ccccc21 ZINC000088334014 359947307 /nfs/dbraw/zinc/94/73/07/359947307.db2.gz WPCWSFCDFDFIID-UHFFFAOYSA-N 1 2 247.338 2.783 20 0 BFADLO Cc1ccc(CNc2nc(C)[nH+]cc2C)c(C)c1 ZINC000578786923 366649021 /nfs/dbraw/zinc/64/90/21/366649021.db2.gz ZEFRYAVKSZUKHU-UHFFFAOYSA-N 1 2 241.338 2.744 20 0 BFADLO Cc1cc(Cl)ccc1NCc1cn(C)c[nH+]1 ZINC000309317504 491146743 /nfs/dbraw/zinc/14/67/43/491146743.db2.gz ZHUZAMUNRRUKIQ-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc2c1CCCC2 ZINC000090153431 360059123 /nfs/dbraw/zinc/05/91/23/360059123.db2.gz CYJHFIHWMBFQGD-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(C)c(F)c1 ZINC000090169820 360060428 /nfs/dbraw/zinc/06/04/28/360060428.db2.gz QAAGUQYFMQFXEY-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(C)cc1OC ZINC000090172465 360061560 /nfs/dbraw/zinc/06/15/60/360061560.db2.gz KSTKBFQHKUAHIH-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC000091981986 360139731 /nfs/dbraw/zinc/13/97/31/360139731.db2.gz ADSJBBXKDWNOGF-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C)c(F)c1 ZINC000091981986 360139732 /nfs/dbraw/zinc/13/97/32/360139732.db2.gz ADSJBBXKDWNOGF-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1[nH+]cccc1NCc1cn2ccccc2n1 ZINC000091495780 360118338 /nfs/dbraw/zinc/11/83/38/360118338.db2.gz UVQOCENSXDGYOV-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CC(C)COCCCNc1cc[nH+]cc1F ZINC000309393199 491148213 /nfs/dbraw/zinc/14/82/13/491148213.db2.gz UVQMKTPMWTVIJM-UHFFFAOYSA-N 1 2 226.295 2.695 20 0 BFADLO c1coc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000093841833 360282911 /nfs/dbraw/zinc/28/29/11/360282911.db2.gz UYJFARHYMNDZQI-ZDUSSCGKSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000093841833 360282918 /nfs/dbraw/zinc/28/29/18/360282918.db2.gz UYJFARHYMNDZQI-ZDUSSCGKSA-N 1 2 249.335 2.915 20 0 BFADLO Cc1ccc(CS[C@H](C)CCO)c(C)[nH+]1 ZINC000614083646 363718401 /nfs/dbraw/zinc/71/84/01/363718401.db2.gz YBFZUQCPEVGFKO-SNVBAGLBSA-N 1 2 225.357 2.703 20 0 BFADLO Fc1cc[nH+]c(NCc2ccccc2)c1 ZINC000306513207 360335285 /nfs/dbraw/zinc/33/52/85/360335285.db2.gz SAVBUCHIHUFMHV-UHFFFAOYSA-N 1 2 202.232 2.833 20 0 BFADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079052 360360961 /nfs/dbraw/zinc/36/09/61/360360961.db2.gz LDMJRIIHKSPQPT-PWSUYJOCSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079052 360360966 /nfs/dbraw/zinc/36/09/66/360360966.db2.gz LDMJRIIHKSPQPT-PWSUYJOCSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1cc(N[C@@H](C2CCC2)[C@H]2CCCO2)nc[nH+]1 ZINC000631523836 360562120 /nfs/dbraw/zinc/56/21/20/360562120.db2.gz CUAHEWHDVFINGO-OCCSQVGLSA-N 1 2 247.342 2.545 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccccn1 ZINC000309528373 491149979 /nfs/dbraw/zinc/14/99/79/491149979.db2.gz CXMRWZRGMVHCBH-MWLCHTKSSA-N 1 2 226.270 2.920 20 0 BFADLO CCN(CC(C)(C)O)c1cc2ccccc2c[nH+]1 ZINC000631118753 360626185 /nfs/dbraw/zinc/62/61/85/360626185.db2.gz NGZSLDBWFJWCRV-UHFFFAOYSA-N 1 2 244.338 2.832 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000153168768 360763557 /nfs/dbraw/zinc/76/35/57/360763557.db2.gz QDXABJVWMKDGPP-VIFPVBQESA-N 1 2 217.316 2.955 20 0 BFADLO Cc1cc(N)nc(SC[C@H]2C[C@H]3C=C[C@@H]2C3)[nH+]1 ZINC000629104287 360878666 /nfs/dbraw/zinc/87/86/66/360878666.db2.gz QLRGVIVUDXSUPG-HBNTYKKESA-N 1 2 247.367 2.502 20 0 BFADLO c1c[nH+]c(COCc2ccccc2OC2CC2)[nH]1 ZINC000629170536 360919321 /nfs/dbraw/zinc/91/93/21/360919321.db2.gz UWTHDOATCIFYJU-UHFFFAOYSA-N 1 2 244.294 2.668 20 0 BFADLO CC(C)c1c[nH]c(SCc2[nH+]ccn2C)n1 ZINC000629223025 360956335 /nfs/dbraw/zinc/95/63/35/360956335.db2.gz COUOBRODJJMYQT-UHFFFAOYSA-N 1 2 236.344 2.559 20 0 BFADLO Cc1[nH+]c2cc(OC[C@@H]3C[C@@H]3C)ccc2n1C ZINC000629370081 361016823 /nfs/dbraw/zinc/01/68/23/361016823.db2.gz WEAZTLGYEORWAB-ONGXEEELSA-N 1 2 230.311 2.917 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccc(C)c(C)c1)C(=O)OC ZINC000428287220 201005955 /nfs/dbraw/zinc/00/59/55/201005955.db2.gz DAUMWPGDRHRXEU-HNNXBMFYSA-N 1 2 249.354 2.735 20 0 BFADLO C[C@@H]1C[C@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309745180 491155863 /nfs/dbraw/zinc/15/58/63/491155863.db2.gz FJMPBTQGFBGIRC-ZJUUUORDSA-N 1 2 219.332 2.842 20 0 BFADLO Cc1cccc2c1CN(c1cccc[nH+]1)CC2 ZINC000428660212 201033122 /nfs/dbraw/zinc/03/31/22/201033122.db2.gz ZXTULOXRLDJXGO-UHFFFAOYSA-N 1 2 224.307 2.953 20 0 BFADLO C(c1noc(C2CC2)n1)[NH+](C1CCC1)C1CCC1 ZINC000429194367 201078464 /nfs/dbraw/zinc/07/84/64/201078464.db2.gz ZBMIGIZKKOWSPO-UHFFFAOYSA-N 1 2 247.342 2.854 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CC=CCC2)c(C)c[nH+]1 ZINC000579315462 366758074 /nfs/dbraw/zinc/75/80/74/366758074.db2.gz RBFFXRCIWRSYIS-HNNXBMFYSA-N 1 2 244.338 2.805 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(SC)nc1 ZINC000579450774 366805731 /nfs/dbraw/zinc/80/57/31/366805731.db2.gz SNKADAIVEKCMIQ-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000433414100 201184959 /nfs/dbraw/zinc/18/49/59/201184959.db2.gz YJRUIRPZTDRPEV-MNOVXSKESA-N 1 2 229.327 2.898 20 0 BFADLO Cn1ccc(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000629648612 361542300 /nfs/dbraw/zinc/54/23/00/361542300.db2.gz XLKRSMOTCAZRSK-UHFFFAOYSA-N 1 2 241.338 2.995 20 0 BFADLO CCC1(C(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC000434119782 201206145 /nfs/dbraw/zinc/20/61/45/201206145.db2.gz QKARAPHMVQBCPZ-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO c1nc(N2CCCC2)cc(NCC2CCCC2)[nH+]1 ZINC000433603224 201189201 /nfs/dbraw/zinc/18/92/01/201189201.db2.gz IFCWDOYBCDAHHZ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCC2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000433603224 201189203 /nfs/dbraw/zinc/18/92/03/201189203.db2.gz IFCWDOYBCDAHHZ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H]2C(C)C)[nH+]1 ZINC000433778781 201194257 /nfs/dbraw/zinc/19/42/57/201194257.db2.gz BUZUTOIRIWGBJG-LBPRGKRZSA-N 1 2 244.342 2.891 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C(F)(F)F ZINC000309987348 491159445 /nfs/dbraw/zinc/15/94/45/491159445.db2.gz YXHRKMUXUNJOOI-AEJSXWLSSA-N 1 2 239.281 2.875 20 0 BFADLO C/C=C/C[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OCC ZINC000434987840 201248452 /nfs/dbraw/zinc/24/84/52/201248452.db2.gz PGMSNHUDSIIMFB-HOSRBBHYSA-N 1 2 239.359 2.663 20 0 BFADLO COc1cc(C)ccc1-c1c[nH]c(C)[nH+]1 ZINC000629753656 361685152 /nfs/dbraw/zinc/68/51/52/361685152.db2.gz CJJDJLOUQJQEES-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO FCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000436316331 201320877 /nfs/dbraw/zinc/32/08/77/201320877.db2.gz RWWCPILTHSZYQZ-CQSZACIVSA-N 1 2 248.276 2.869 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000437960169 201381544 /nfs/dbraw/zinc/38/15/44/201381544.db2.gz YSTIKXIALJCSOY-CYBMUJFWSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000437960169 201381546 /nfs/dbraw/zinc/38/15/46/201381546.db2.gz YSTIKXIALJCSOY-CYBMUJFWSA-N 1 2 245.326 2.902 20 0 BFADLO Cc1cc(N[C@@H]2CCOC2(C)C)nc(C(C)C)[nH+]1 ZINC000328237569 363862695 /nfs/dbraw/zinc/86/26/95/363862695.db2.gz AAVMWOPAADCYCV-LLVKDONJSA-N 1 2 249.358 2.888 20 0 BFADLO CCC[C@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333144 202576320 /nfs/dbraw/zinc/57/63/20/202576320.db2.gz IKJGDPIZDMMLPL-NSHDSACASA-N 1 2 249.358 2.984 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@H](CC(C)C)C2)no1 ZINC000074994876 364301482 /nfs/dbraw/zinc/30/14/82/364301482.db2.gz HZEGLOXCKWGJIV-LLVKDONJSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@H](CC(C)C)C2)no1 ZINC000074994876 364301485 /nfs/dbraw/zinc/30/14/85/364301485.db2.gz HZEGLOXCKWGJIV-LLVKDONJSA-N 1 2 237.347 2.500 20 0 BFADLO CC(C)C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000074994824 364301824 /nfs/dbraw/zinc/30/18/24/364301824.db2.gz XDNIIKZKDRODMB-NSHDSACASA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000074994824 364301829 /nfs/dbraw/zinc/30/18/29/364301829.db2.gz XDNIIKZKDRODMB-NSHDSACASA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)N(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630691905 364457100 /nfs/dbraw/zinc/45/71/00/364457100.db2.gz NNWWXYJUCKDTLI-UHFFFAOYSA-N 1 2 243.310 2.557 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1[nH]cc[nH+]1 ZINC000615157706 364547949 /nfs/dbraw/zinc/54/79/49/364547949.db2.gz FWCQZUCZMJLFHS-MNOVXSKESA-N 1 2 247.342 2.557 20 0 BFADLO CCCN(C)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630851649 364599533 /nfs/dbraw/zinc/59/95/33/364599533.db2.gz HNYXTMPJYVLHDM-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO CC[N@@H+](Cc1csc(Cl)n1)C[C@@H](C)OC ZINC000295165369 364778966 /nfs/dbraw/zinc/77/89/66/364778966.db2.gz FHYCGFSOSVPOJA-MRVPVSSYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[N@H+](Cc1csc(Cl)n1)C[C@@H](C)OC ZINC000295165369 364778972 /nfs/dbraw/zinc/77/89/72/364778972.db2.gz FHYCGFSOSVPOJA-MRVPVSSYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000573615886 364875471 /nfs/dbraw/zinc/87/54/71/364875471.db2.gz DHAXTYIGTAHHMU-IINYFYTJSA-N 1 2 249.358 2.506 20 0 BFADLO Cc1[nH]c(CN[C@@H](C)c2cccc(O)c2)[nH+]c1C ZINC000573743735 364908023 /nfs/dbraw/zinc/90/80/23/364908023.db2.gz QGFFDSHVKUBCAD-NSHDSACASA-N 1 2 245.326 2.583 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccoc2)s1 ZINC000168357053 364913908 /nfs/dbraw/zinc/91/39/08/364913908.db2.gz CIKVREILMGGNPT-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCC1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283464284 541407100 /nfs/dbraw/zinc/40/71/00/541407100.db2.gz LWAUYLKFGQJSPH-BQYQJAHWSA-N 1 2 247.342 2.508 20 0 BFADLO Fc1cc(Cl)cc(C[N@@H+]2CCCOCC2)c1 ZINC000336088673 541425051 /nfs/dbraw/zinc/42/50/51/541425051.db2.gz HLFPBEDJOLXFAJ-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1cc(Cl)cc(C[N@H+]2CCCOCC2)c1 ZINC000336088673 541425053 /nfs/dbraw/zinc/42/50/53/541425053.db2.gz HLFPBEDJOLXFAJ-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO CCC(CC)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000574047485 364975782 /nfs/dbraw/zinc/97/57/82/364975782.db2.gz ZBWDRZSWVHQNBB-UHFFFAOYSA-N 1 2 237.347 2.506 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncccn1)CC2 ZINC000574340087 365042567 /nfs/dbraw/zinc/04/25/67/365042567.db2.gz UEVBIATXWOFDGE-AWEZNQCLSA-N 1 2 239.322 2.562 20 0 BFADLO CC(C)c1ncc(C[N@H+](C)Cc2ccco2)cn1 ZINC000443059182 193013106 /nfs/dbraw/zinc/01/31/06/193013106.db2.gz BRWZUFUUNWGISC-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1ncc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000443059182 193013109 /nfs/dbraw/zinc/01/31/09/193013109.db2.gz BRWZUFUUNWGISC-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)[C@@H]1C ZINC000443511720 193023505 /nfs/dbraw/zinc/02/35/05/193023505.db2.gz QXTOVVJQUYERFB-NXEZZACHSA-N 1 2 247.317 2.947 20 0 BFADLO CC[C@](C)([NH2+]CC[C@H]1CCOC1)C(F)(F)F ZINC000576194299 365516288 /nfs/dbraw/zinc/51/62/88/365516288.db2.gz OVNGMXKFFHCEKF-UWVGGRQHSA-N 1 2 239.281 2.734 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccon1)c1c(C)noc1C ZINC000182420642 366901250 /nfs/dbraw/zinc/90/12/50/366901250.db2.gz VIEBQJQBRJEODC-LLVKDONJSA-N 1 2 235.287 2.520 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)c1cccnc1 ZINC000174696784 365506941 /nfs/dbraw/zinc/50/69/41/365506941.db2.gz NWBPLZIWYTXHGU-NSHDSACASA-N 1 2 241.294 2.527 20 0 BFADLO Cn1c[nH+]cc1COc1ccc2ncccc2c1 ZINC000439556912 201454921 /nfs/dbraw/zinc/45/49/21/201454921.db2.gz ODTWHBVWMJYBAD-UHFFFAOYSA-N 1 2 239.278 2.547 20 0 BFADLO Cc1nc(N2Cc3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000184173412 367067564 /nfs/dbraw/zinc/06/75/64/367067564.db2.gz NBEQWLHSHITQEO-NSHDSACASA-N 1 2 239.322 2.736 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000382059311 367483204 /nfs/dbraw/zinc/48/32/04/367483204.db2.gz ALTJNDHCCIGWTP-LLVKDONJSA-N 1 2 221.329 2.712 20 0 BFADLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(O)c1 ZINC000382210394 367498571 /nfs/dbraw/zinc/49/85/71/367498571.db2.gz GYOLPHXCZAXOMI-MRVPVSSYSA-N 1 2 215.243 2.698 20 0 BFADLO CCc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000382316446 367507094 /nfs/dbraw/zinc/50/70/94/367507094.db2.gz RQSLRFIWBYTJLR-UHFFFAOYSA-N 1 2 213.271 2.994 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000383540486 367636785 /nfs/dbraw/zinc/63/67/85/367636785.db2.gz UFHCEHOOSTXGMC-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO CC[C@H]([NH2+]Cc1ncccn1)c1cccc(F)c1 ZINC000581618651 367637739 /nfs/dbraw/zinc/63/77/39/367637739.db2.gz JQFORVYUQQOZLP-ZDUSSCGKSA-N 1 2 245.301 2.857 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(C)c1 ZINC000383567092 367641260 /nfs/dbraw/zinc/64/12/60/367641260.db2.gz BHRZLKGASSJHRT-AWEZNQCLSA-N 1 2 229.327 2.959 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC000581737206 367799828 /nfs/dbraw/zinc/79/98/28/367799828.db2.gz ZXJNYXRUFPQCPQ-HBNTYKKESA-N 1 2 219.332 2.574 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000581737205 367800062 /nfs/dbraw/zinc/80/00/62/367800062.db2.gz ZXJNYXRUFPQCPQ-GARJFASQSA-N 1 2 219.332 2.574 20 0 BFADLO CN(C)c1c[nH+]cc(NCc2ccsc2)c1 ZINC000630957051 368153290 /nfs/dbraw/zinc/15/32/90/368153290.db2.gz LLKIKNQXBAEONJ-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO Cc1ccc(-c2cnc(Cn3cc[nH+]c3)o2)cc1 ZINC000041391501 368281059 /nfs/dbraw/zinc/28/10/59/368281059.db2.gz MDXLXPDSUCZAJG-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000046773865 368449481 /nfs/dbraw/zinc/44/94/81/368449481.db2.gz QOHVRCMFPGGMTR-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000046773865 368449482 /nfs/dbraw/zinc/44/94/82/368449482.db2.gz QOHVRCMFPGGMTR-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO CC1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1 ZINC000045810222 368431949 /nfs/dbraw/zinc/43/19/49/368431949.db2.gz CHXVCAGBGGFOMJ-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC000045784236 368432808 /nfs/dbraw/zinc/43/28/08/368432808.db2.gz KNYAMFAOFHHTJX-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)[C@H](C)CO1 ZINC000045784236 368432814 /nfs/dbraw/zinc/43/28/14/368432814.db2.gz KNYAMFAOFHHTJX-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO Cn1cc[nH+]c1CSc1ccc(F)c(F)c1 ZINC000064653115 368611395 /nfs/dbraw/zinc/61/13/95/368611395.db2.gz RFLHZGSNICFRMH-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000457001168 203000380 /nfs/dbraw/zinc/00/03/80/203000380.db2.gz LYEQVVXZCBJPGF-JFGNBEQYSA-N 1 2 249.358 2.663 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC000615957900 368785552 /nfs/dbraw/zinc/78/55/52/368785552.db2.gz AHQSLSVPSJNGQB-MNOVXSKESA-N 1 2 249.358 2.516 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1ccc(C2CC2)cc1 ZINC000459345618 203264897 /nfs/dbraw/zinc/26/48/97/203264897.db2.gz VXBLWQZKYZJMTC-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1ccc(C2CC2)cc1 ZINC000459345618 203264901 /nfs/dbraw/zinc/26/49/01/203264901.db2.gz VXBLWQZKYZJMTC-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cc(F)cc(OC)c1 ZINC000623679408 369379887 /nfs/dbraw/zinc/37/98/87/369379887.db2.gz WAFBVYIJOJZNJV-UHFFFAOYSA-N 1 2 247.260 2.969 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(COC)cc1 ZINC000623680135 369381652 /nfs/dbraw/zinc/38/16/52/369381652.db2.gz ZFHJBBRPMFMENK-UHFFFAOYSA-N 1 2 243.297 2.968 20 0 BFADLO Cc1ccsc1C[NH+]1CC(OCC(F)F)C1 ZINC000459590244 203308551 /nfs/dbraw/zinc/30/85/51/203308551.db2.gz JRCJWQKBUFSXOZ-UHFFFAOYSA-N 1 2 247.310 2.522 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccsc1 ZINC000623680638 369390358 /nfs/dbraw/zinc/39/03/58/369390358.db2.gz SZRGWSDOENMUKX-UHFFFAOYSA-N 1 2 205.273 2.883 20 0 BFADLO Cc1ccc(C)c(C[NH+]2CC(OC(F)F)C2)c1 ZINC000459625471 203319743 /nfs/dbraw/zinc/31/97/43/203319743.db2.gz DNXAFSGWXMNBTF-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO Cc1nocc1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000459644757 203329480 /nfs/dbraw/zinc/32/94/80/203329480.db2.gz XTRUZXXGQYMQSF-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO CCN(CC)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631030492 370962100 /nfs/dbraw/zinc/96/21/00/370962100.db2.gz QZGIHMGIRDTTPU-UHFFFAOYSA-N 1 2 230.315 2.682 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000109827451 369542519 /nfs/dbraw/zinc/54/25/19/369542519.db2.gz KLTRRBFDHBNTFE-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000109827451 369542524 /nfs/dbraw/zinc/54/25/24/369542524.db2.gz KLTRRBFDHBNTFE-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@@H](C)C(C)C)cc2[nH+]1 ZINC000620650062 369972511 /nfs/dbraw/zinc/97/25/11/369972511.db2.gz KSMLZNRQFRTGPT-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO CCc1cc(NC[C@H](OC)C(C)(C)C)nc[nH+]1 ZINC000075063292 370073460 /nfs/dbraw/zinc/07/34/60/370073460.db2.gz KRGNZMVLAKSAPX-NSHDSACASA-N 1 2 237.347 2.512 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)c(C)c1 ZINC000111194895 370105235 /nfs/dbraw/zinc/10/52/35/370105235.db2.gz AFKYTDLQEQNCCY-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)c(C)c1 ZINC000111194895 370105238 /nfs/dbraw/zinc/10/52/38/370105238.db2.gz AFKYTDLQEQNCCY-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cc(NCC(C)(C)C(F)(F)F)nc[nH+]1 ZINC000309695644 370245139 /nfs/dbraw/zinc/24/51/39/370245139.db2.gz KXVUYJJDHUSHAJ-UHFFFAOYSA-N 1 2 233.237 2.785 20 0 BFADLO COc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)on1 ZINC000621399920 370337827 /nfs/dbraw/zinc/33/78/27/370337827.db2.gz SXTLHOAHGMLOEF-JTQLQIEISA-N 1 2 244.294 2.760 20 0 BFADLO COc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)on1 ZINC000621399920 370337830 /nfs/dbraw/zinc/33/78/30/370337830.db2.gz SXTLHOAHGMLOEF-JTQLQIEISA-N 1 2 244.294 2.760 20 0 BFADLO CCc1cc(N[C@@H](C)CC(C)(C)OC)nc[nH+]1 ZINC000078402228 370557273 /nfs/dbraw/zinc/55/72/73/370557273.db2.gz KMIJQKIQKSBNBK-JTQLQIEISA-N 1 2 237.347 2.655 20 0 BFADLO FC(F)(F)C1(C[NH2+]Cc2ccn[nH]2)CCCC1 ZINC000623787281 371094455 /nfs/dbraw/zinc/09/44/55/371094455.db2.gz GPJCENOHTIKEBE-UHFFFAOYSA-N 1 2 247.264 2.622 20 0 BFADLO CCCN(C)c1ccccc1NCc1[nH]cc[nH+]1 ZINC000623799924 371099521 /nfs/dbraw/zinc/09/95/21/371099521.db2.gz SRODVRSKVNIESD-UHFFFAOYSA-N 1 2 244.342 2.868 20 0 BFADLO CCC[C@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OCC ZINC000624049658 371275290 /nfs/dbraw/zinc/27/52/90/371275290.db2.gz NAJGDQBXDCFEPV-CMPLNLGQSA-N 1 2 239.363 2.574 20 0 BFADLO CC1(C)C[C@H](Sc2[nH+]cnc3[nH]ccc32)CO1 ZINC000624484016 371519184 /nfs/dbraw/zinc/51/91/84/371519184.db2.gz FCDCZHAMJOIBEP-QMMMGPOBSA-N 1 2 249.339 2.618 20 0 BFADLO c1ccc(N2CC[C@H]3CC[C@@H](C2)S3)[nH+]c1 ZINC000624523010 371530569 /nfs/dbraw/zinc/53/05/69/371530569.db2.gz ZAKYODASYRIZSH-MNOVXSKESA-N 1 2 220.341 2.556 20 0 BFADLO c1snnc1C[NH+]1CCC2(CCCC2)CC1 ZINC000131748428 371666493 /nfs/dbraw/zinc/66/64/93/371666493.db2.gz IOYKFIJPGLOXED-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO COc1ccc(NCc2ccccc2F)[nH+]c1 ZINC000226949489 371758727 /nfs/dbraw/zinc/75/87/27/371758727.db2.gz JLZBXNFIBBRCBK-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1cncs1 ZINC000134155428 372169511 /nfs/dbraw/zinc/16/95/11/372169511.db2.gz XWDUTXKMIACNNK-QMMMGPOBSA-N 1 2 205.286 2.711 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)on1 ZINC000631163975 372213565 /nfs/dbraw/zinc/21/35/65/372213565.db2.gz WFTJVFBVDBMKNS-UONOGXRCSA-N 1 2 246.285 2.710 20 0 BFADLO CC1(O)CCN(c2cc3ccccc3c[nH+]2)CC1 ZINC000631165075 372213696 /nfs/dbraw/zinc/21/36/96/372213696.db2.gz GXZPGQPOFSEXHJ-UHFFFAOYSA-N 1 2 242.322 2.586 20 0 BFADLO C[C@@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)CO1 ZINC000631329532 372298079 /nfs/dbraw/zinc/29/80/79/372298079.db2.gz PLSVFIHXZCHOJA-MFKMUULPSA-N 1 2 228.295 2.824 20 0 BFADLO C[C@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)CO1 ZINC000631329531 372298474 /nfs/dbraw/zinc/29/84/74/372298474.db2.gz PLSVFIHXZCHOJA-GXFFZTMASA-N 1 2 228.295 2.824 20 0 BFADLO CCCCc1cc(N[C@@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000631238413 372254899 /nfs/dbraw/zinc/25/48/99/372254899.db2.gz LVZKYGKOAJDRHF-WDEREUQCSA-N 1 2 237.347 2.655 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nccn2C(C)C)o1 ZINC000631243092 372257438 /nfs/dbraw/zinc/25/74/38/372257438.db2.gz RMZYUJIVMJBNKX-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2c1cccc2C ZINC000171138491 372354157 /nfs/dbraw/zinc/35/41/57/372354157.db2.gz ZQUVSHYXGOOPGO-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO CCCCc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)nc[nH+]1 ZINC000631465213 372378192 /nfs/dbraw/zinc/37/81/92/372378192.db2.gz JHBSFAKIICTKSW-DMDPSCGWSA-N 1 2 249.358 2.797 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccncc1Cl ZINC000631650872 372482109 /nfs/dbraw/zinc/48/21/09/372482109.db2.gz MBUROOYWDJWWOL-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO CC[C@@H](C)Cc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000632251041 372834861 /nfs/dbraw/zinc/83/48/61/372834861.db2.gz WKZURXXFDWDVDP-GHMZBOCLSA-N 1 2 248.330 2.658 20 0 BFADLO FC(F)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000171991251 372848837 /nfs/dbraw/zinc/84/88/37/372848837.db2.gz VQACHNLWXFYBTQ-NSHDSACASA-N 1 2 211.255 2.741 20 0 BFADLO FC(F)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000171991251 372848841 /nfs/dbraw/zinc/84/88/41/372848841.db2.gz VQACHNLWXFYBTQ-NSHDSACASA-N 1 2 211.255 2.741 20 0 BFADLO FC(F)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000171991635 372849387 /nfs/dbraw/zinc/84/93/87/372849387.db2.gz HUHUKNQSMLACKH-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO Cc1sccc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000634216583 374035395 /nfs/dbraw/zinc/03/53/95/374035395.db2.gz PLLFYDBQIQRIOF-SECBINFHSA-N 1 2 249.339 2.843 20 0 BFADLO CCS[C@H]1CC[C@@H]([N@H+](C)CC(F)F)C1 ZINC000174349770 374184299 /nfs/dbraw/zinc/18/42/99/374184299.db2.gz RPXLKCXYHDMJGJ-BDAKNGLRSA-N 1 2 223.332 2.858 20 0 BFADLO CCS[C@H]1CC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC000174349770 374184303 /nfs/dbraw/zinc/18/43/03/374184303.db2.gz RPXLKCXYHDMJGJ-BDAKNGLRSA-N 1 2 223.332 2.858 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCO[C@H]1C ZINC000634547778 374303194 /nfs/dbraw/zinc/30/31/94/374303194.db2.gz DFTGHHIUXNTZGR-RYUDHWBXSA-N 1 2 235.327 2.756 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000424200730 206035886 /nfs/dbraw/zinc/03/58/86/206035886.db2.gz RFSRWGZCMBXFGB-LSDHHAIUSA-N 1 2 242.297 2.809 20 0 BFADLO CO[C@@H](CSc1[nH+]cc2ccccn21)C1CC1 ZINC000424086877 206028929 /nfs/dbraw/zinc/02/89/29/206028929.db2.gz DXOYXFCJVUIJIU-LBPRGKRZSA-N 1 2 248.351 2.851 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000194750796 206109961 /nfs/dbraw/zinc/10/99/61/206109961.db2.gz WPQCRHWNAACTFX-GXTWGEPZSA-N 1 2 249.354 2.927 20 0 BFADLO O=C(Nc1cc[nH+]cc1O)c1cccc(Cl)c1 ZINC000109890721 182388176 /nfs/dbraw/zinc/38/81/76/182388176.db2.gz VYPSXTFXQIGWCT-UHFFFAOYSA-N 1 2 248.669 2.693 20 0 BFADLO CCCCO[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107287885 168911428 /nfs/dbraw/zinc/91/14/28/168911428.db2.gz XFOOOJZXIRMRCM-NSHDSACASA-N 1 2 236.315 2.534 20 0 BFADLO OC1(CCNc2ccc3ccccc3[nH+]2)CCC1 ZINC000286359253 183016959 /nfs/dbraw/zinc/01/69/59/183016959.db2.gz CGTSFYUTSTWJSR-UHFFFAOYSA-N 1 2 242.322 2.952 20 0 BFADLO OCC1(CNc2ccc3ccccc3[nH+]2)CCC1 ZINC000302183254 183036867 /nfs/dbraw/zinc/03/68/67/183036867.db2.gz SKUYMAQFETUTEF-UHFFFAOYSA-N 1 2 242.322 2.809 20 0 BFADLO OCCCOc1ccc([NH2+]C2CCCC2)cc1 ZINC000285441945 183062149 /nfs/dbraw/zinc/06/21/49/183062149.db2.gz IFTIHNQJWXOGSM-UHFFFAOYSA-N 1 2 235.327 2.802 20 0 BFADLO OCCNc1[nH+]c2ccccc2n1C1CCCC1 ZINC000273596984 183081151 /nfs/dbraw/zinc/08/11/51/183081151.db2.gz WPYPOVXKQIBKDK-UHFFFAOYSA-N 1 2 245.326 2.556 20 0 BFADLO OCC[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000265826426 183090184 /nfs/dbraw/zinc/09/01/84/183090184.db2.gz JIZVFMVHZJODQA-AWEZNQCLSA-N 1 2 242.322 2.660 20 0 BFADLO OC[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccccc1 ZINC000085979119 183107019 /nfs/dbraw/zinc/10/70/19/183107019.db2.gz VYEOBRRYNWMTJX-SDKXAQGSSA-N 1 2 246.137 2.629 20 0 BFADLO OC[C@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000338765633 183138104 /nfs/dbraw/zinc/13/81/04/183138104.db2.gz DKYMVLNJNNAQIC-ZDUSSCGKSA-N 1 2 234.343 2.682 20 0 BFADLO OC[C@H]([NH2+]C/C(Cl)=C/Cl)c1ccccc1 ZINC000085979122 183138448 /nfs/dbraw/zinc/13/84/48/183138448.db2.gz VYEOBRRYNWMTJX-YAEJEKNGSA-N 1 2 246.137 2.629 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339569218 169031918 /nfs/dbraw/zinc/03/19/18/169031918.db2.gz RSGHOWXQOBPWEW-MXWKQRLJSA-N 1 2 237.347 2.813 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339569218 169031920 /nfs/dbraw/zinc/03/19/20/169031920.db2.gz RSGHOWXQOBPWEW-MXWKQRLJSA-N 1 2 237.347 2.813 20 0 BFADLO O[C@@H](CNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000074055714 183182639 /nfs/dbraw/zinc/18/26/39/183182639.db2.gz IAMAYFLANXQEBE-LBPRGKRZSA-N 1 2 248.713 2.881 20 0 BFADLO CCC[N@H+](C)Cc1csc(Cl)n1 ZINC000296923626 169080378 /nfs/dbraw/zinc/08/03/78/169080378.db2.gz ATFMXUNUDGAYQM-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO CCC[N@@H+](C)Cc1csc(Cl)n1 ZINC000296923626 169080381 /nfs/dbraw/zinc/08/03/81/169080381.db2.gz ATFMXUNUDGAYQM-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO CCC[N@H+](C)Cc1ncc(Br)s1 ZINC000307943992 169082748 /nfs/dbraw/zinc/08/27/48/169082748.db2.gz GIDMVRYTFHMCHZ-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CCC[N@@H+](C)Cc1ncc(Br)s1 ZINC000307943992 169082750 /nfs/dbraw/zinc/08/27/50/169082750.db2.gz GIDMVRYTFHMCHZ-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CCCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267439136 169089034 /nfs/dbraw/zinc/08/90/34/169089034.db2.gz YKEDAZHSIQFFCU-UHFFFAOYSA-N 1 2 218.222 2.947 20 0 BFADLO O[C@H]1CC[C@@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000236566321 183240796 /nfs/dbraw/zinc/24/07/96/183240796.db2.gz VHKJRRKKUJXYKS-YPMHNXCESA-N 1 2 242.322 2.808 20 0 BFADLO CCCN(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268002498 169114489 /nfs/dbraw/zinc/11/44/89/169114489.db2.gz CRBXCBZGFGUTOU-UHFFFAOYSA-N 1 2 235.331 2.962 20 0 BFADLO O[C@H]1C[C@@H](Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000295471146 183248031 /nfs/dbraw/zinc/24/80/31/183248031.db2.gz XYYDAMLKORKYEO-DTORHVGOSA-N 1 2 248.713 2.823 20 0 BFADLO O[C@H]1CCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000052007098 183233122 /nfs/dbraw/zinc/23/31/22/183233122.db2.gz SQWGGWGHOMVZFQ-KBPBESRZSA-N 1 2 242.322 2.950 20 0 BFADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1cocn1 ZINC000360995513 183293650 /nfs/dbraw/zinc/29/36/50/183293650.db2.gz IQCAHLPESDDUOU-ZDUSSCGKSA-N 1 2 244.294 2.547 20 0 BFADLO c1c[nH]c(C[NH+]2CCC(c3ccsc3)CC2)n1 ZINC000186912793 183323688 /nfs/dbraw/zinc/32/36/88/183323688.db2.gz SSSGQQPOQHVPNL-UHFFFAOYSA-N 1 2 247.367 2.851 20 0 BFADLO c1coc(-c2ccc(NCc3[nH]cc[nH+]3)cc2)n1 ZINC000122197796 183324871 /nfs/dbraw/zinc/32/48/71/183324871.db2.gz DLHJINZPMMPOFI-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO c1cc(C[NH2+][C@H]2CCCc3sccc32)[nH]n1 ZINC000061328842 183353687 /nfs/dbraw/zinc/35/36/87/183353687.db2.gz LFSNDVBLXGPCPI-NSHDSACASA-N 1 2 233.340 2.638 20 0 BFADLO c1cc(N(CC2CC2)CC2CC2)nc(C2CC2)[nH+]1 ZINC000115520671 183356290 /nfs/dbraw/zinc/35/62/90/183356290.db2.gz ZEFAQXYYGFTACA-UHFFFAOYSA-N 1 2 243.354 2.980 20 0 BFADLO c1cn(-c2cccc(OCC3CC3)c2)c[nH+]1 ZINC000124334969 183358955 /nfs/dbraw/zinc/35/89/55/183358955.db2.gz XMHPDFUAQNYCMW-UHFFFAOYSA-N 1 2 214.268 2.661 20 0 BFADLO c1cc(N[C@H]2CC3CCC2CC3)nc(C2CC2)[nH+]1 ZINC000362991533 183334349 /nfs/dbraw/zinc/33/43/49/183334349.db2.gz BDYVQCUJOVBQQX-XIVSLSHWSA-N 1 2 243.354 2.767 20 0 BFADLO c1cc(N[C@@H]2CC3CCC2CC3)nc(C2CC2)[nH+]1 ZINC000362991532 183334768 /nfs/dbraw/zinc/33/47/68/183334768.db2.gz BDYVQCUJOVBQQX-GCZXYKMCSA-N 1 2 243.354 2.767 20 0 BFADLO c1cc([NH2+]C[C@H]2CCSC2)cc2c1OCC2 ZINC000224361781 183369697 /nfs/dbraw/zinc/36/96/97/183369697.db2.gz ZEEWXWHGAXUTAT-SNVBAGLBSA-N 1 2 235.352 2.787 20 0 BFADLO c1cc2[nH+]ccc(N[C@H]3CCSC3)c2cn1 ZINC000267991349 183376751 /nfs/dbraw/zinc/37/67/51/183376751.db2.gz RLZDOEKCIPLGAJ-VIFPVBQESA-N 1 2 231.324 2.547 20 0 BFADLO c1cc2[nH+]ccc(NC[C@@H]3CCCCO3)c2cn1 ZINC000267937417 183377318 /nfs/dbraw/zinc/37/73/18/183377318.db2.gz GZOZXYGDWLREGF-NSHDSACASA-N 1 2 243.310 2.611 20 0 BFADLO c1ccc(-c2nc(C[NH+]3CCCCC3)no2)cc1 ZINC000073021314 183382666 /nfs/dbraw/zinc/38/26/66/183382666.db2.gz BPJXOODEDLXFPA-UHFFFAOYSA-N 1 2 243.310 2.723 20 0 BFADLO c1snnc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000181327477 183389015 /nfs/dbraw/zinc/38/90/15/183389015.db2.gz QHFRTFURWCTLGE-UHFFFAOYSA-N 1 2 245.351 2.707 20 0 BFADLO c1cc(C[NH2+]C2(c3ccccc3)CCC2)[nH]n1 ZINC000066991343 183389559 /nfs/dbraw/zinc/38/95/59/183389559.db2.gz NQZPSJGMWPCKSL-UHFFFAOYSA-N 1 2 227.311 2.579 20 0 BFADLO c1ccc(CCCNc2cccc[nH+]2)nc1 ZINC000336683806 183391795 /nfs/dbraw/zinc/39/17/95/183391795.db2.gz SPQUFMNSROTKBT-UHFFFAOYSA-N 1 2 213.284 2.521 20 0 BFADLO c1ccc(NC[C@@H]2Cc3ccccc32)[nH+]c1 ZINC000037654391 183416434 /nfs/dbraw/zinc/41/64/34/183416434.db2.gz IKDUNJBMVOJMLM-LBPRGKRZSA-N 1 2 210.280 2.833 20 0 BFADLO CCCOc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049714971 169327372 /nfs/dbraw/zinc/32/73/72/169327372.db2.gz LFQWEKFVXFVOTD-UHFFFAOYSA-N 1 2 231.299 2.811 20 0 BFADLO CCC[C@@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000354040588 169366259 /nfs/dbraw/zinc/36/62/59/169366259.db2.gz YPLYUGJRPNRVNX-SNVBAGLBSA-N 1 2 219.332 2.979 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265080781 169348797 /nfs/dbraw/zinc/34/87/97/169348797.db2.gz XNZNHQCRODOKOI-NEPJUHHUSA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@@H](CC)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000362697607 169377140 /nfs/dbraw/zinc/37/71/40/169377140.db2.gz CMWDYYPYSNWEPF-MNOVXSKESA-N 1 2 249.358 2.525 20 0 BFADLO CCC[C@@H](CC)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000362697607 169377143 /nfs/dbraw/zinc/37/71/43/169377143.db2.gz CMWDYYPYSNWEPF-MNOVXSKESA-N 1 2 249.358 2.525 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)Cc1csnn1 ZINC000180248532 134328306 /nfs/dbraw/zinc/32/83/06/134328306.db2.gz GFIFJGUIGFXLTF-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)Cc1csnn1 ZINC000180248532 134328307 /nfs/dbraw/zinc/32/83/07/134328307.db2.gz GFIFJGUIGFXLTF-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO c1coc(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110114371 183505909 /nfs/dbraw/zinc/50/59/09/183505909.db2.gz RFYGZYGGFBNXGB-UHFFFAOYSA-N 1 2 229.283 2.602 20 0 BFADLO CCCc1nc(C[NH2+][C@@H](C)c2ccccc2)no1 ZINC000181356150 169590462 /nfs/dbraw/zinc/59/04/62/169590462.db2.gz FGYDEDKZKZSXPE-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000336428483 383869879 /nfs/dbraw/zinc/86/98/79/383869879.db2.gz APHSUETVAGGHIL-MWLCHTKSSA-N 1 2 247.342 2.961 20 0 BFADLO CC(C)n1c[nH+]cc1CNC(C)(C)C(F)F ZINC000643774331 383830623 /nfs/dbraw/zinc/83/06/23/383830623.db2.gz XPTHVMOPKNUARM-UHFFFAOYSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H](C)c2ccccc2)no1 ZINC000066854062 383896525 /nfs/dbraw/zinc/89/65/25/383896525.db2.gz KZUHJDYZIJKQTD-NSHDSACASA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H](C)c2ccccc2)no1 ZINC000066854062 383896532 /nfs/dbraw/zinc/89/65/32/383896532.db2.gz KZUHJDYZIJKQTD-NSHDSACASA-N 1 2 245.326 2.614 20 0 BFADLO CCCCN(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068318763 383984089 /nfs/dbraw/zinc/98/40/89/383984089.db2.gz JMSNQERSNKBVOS-UHFFFAOYSA-N 1 2 245.326 2.597 20 0 BFADLO CC[C@H]([NH2+]Cc1cnn(C(C)C)c1)C(F)F ZINC000449365261 383997612 /nfs/dbraw/zinc/99/76/12/383997612.db2.gz VPVXCHKOWNCFEJ-JTQLQIEISA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1nccnc1C ZINC000293885854 383998820 /nfs/dbraw/zinc/99/88/20/383998820.db2.gz YWLODMBMMMPMHS-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075396 383935933 /nfs/dbraw/zinc/93/59/33/383935933.db2.gz CUUQTMFHMICQKR-OAHLLOKOSA-N 1 2 241.338 2.959 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2c(c1)CCC2 ZINC000112642561 383938409 /nfs/dbraw/zinc/93/84/09/383938409.db2.gz WNCDGYKLJFEKLE-UHFFFAOYSA-N 1 2 227.311 2.521 20 0 BFADLO CCC[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000112790478 383951300 /nfs/dbraw/zinc/95/13/00/383951300.db2.gz SYGYGJMHPVIEGL-JTQLQIEISA-N 1 2 235.331 2.522 20 0 BFADLO FC(F)(F)c1nn(CC2CC2)c2cc[nH+]cc21 ZINC000089506559 383973091 /nfs/dbraw/zinc/97/30/91/383973091.db2.gz GCKYXOKWGLVELS-UHFFFAOYSA-N 1 2 241.216 2.860 20 0 BFADLO CCCc1nc(C[N@@H+](CCC)C(C)C)no1 ZINC000518560291 384008304 /nfs/dbraw/zinc/00/83/04/384008304.db2.gz XNJLFKVLYKLUMQ-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@H+](CCC)C(C)C)no1 ZINC000518560291 384008311 /nfs/dbraw/zinc/00/83/11/384008311.db2.gz XNJLFKVLYKLUMQ-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000037772214 384013746 /nfs/dbraw/zinc/01/37/46/384013746.db2.gz JLVYCPRQDWHXSN-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037770682 384014794 /nfs/dbraw/zinc/01/47/94/384014794.db2.gz BJCAZZXCBJZDHP-LLVKDONJSA-N 1 2 215.300 2.569 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000037989240 384048959 /nfs/dbraw/zinc/04/89/59/384048959.db2.gz OVLIVTXWBRINDZ-UHFFFAOYSA-N 1 2 243.354 2.933 20 0 BFADLO CCCCOC(=O)C[N@H+](C)Cc1cccs1 ZINC000049825652 384053792 /nfs/dbraw/zinc/05/37/92/384053792.db2.gz ZNHFDOMENHSZIS-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO CCCCOC(=O)C[N@@H+](C)Cc1cccs1 ZINC000049825652 384053798 /nfs/dbraw/zinc/05/37/98/384053798.db2.gz ZNHFDOMENHSZIS-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO Cc1ccsc1[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000069636705 384053822 /nfs/dbraw/zinc/05/38/22/384053822.db2.gz JUIKHIADZAKZLS-JTQLQIEISA-N 1 2 235.356 2.939 20 0 BFADLO C[C@H](CC1CCCCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114339205 384031831 /nfs/dbraw/zinc/03/18/31/384031831.db2.gz MOJYHZHNCZJSTA-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000070261769 384097020 /nfs/dbraw/zinc/09/70/20/384097020.db2.gz LZVJICWVENJRID-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Fc1cccnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000530471746 384102994 /nfs/dbraw/zinc/10/29/94/384102994.db2.gz MVWVNLNIPSPEHN-GFCCVEGCSA-N 1 2 246.285 2.981 20 0 BFADLO CC(C)([NH2+]Cc1cccc(O)c1)c1nccs1 ZINC000116380208 384130749 /nfs/dbraw/zinc/13/07/49/384130749.db2.gz AUCIDXAIXPSAGN-UHFFFAOYSA-N 1 2 248.351 2.874 20 0 BFADLO CC[C@@H](NC(=O)CCC1CCCC1)c1[nH]cc[nH+]1 ZINC000140520163 384149255 /nfs/dbraw/zinc/14/92/55/384149255.db2.gz BDRHGJKJMJMHHF-GFCCVEGCSA-N 1 2 249.358 2.947 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1c[nH]cn1 ZINC000091897685 384153648 /nfs/dbraw/zinc/15/36/48/384153648.db2.gz LDSHLCZGMQBJHU-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000091897685 384153655 /nfs/dbraw/zinc/15/36/55/384153655.db2.gz LDSHLCZGMQBJHU-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cnc[nH]1 ZINC000091897685 384153658 /nfs/dbraw/zinc/15/36/58/384153658.db2.gz LDSHLCZGMQBJHU-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000091897685 384153662 /nfs/dbraw/zinc/15/36/62/384153662.db2.gz LDSHLCZGMQBJHU-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1cccc(O)c1 ZINC000041011936 384173230 /nfs/dbraw/zinc/17/32/30/384173230.db2.gz JNEBUHVNGSXMQU-VIFPVBQESA-N 1 2 234.324 2.700 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1C ZINC000041014557 384173569 /nfs/dbraw/zinc/17/35/69/384173569.db2.gz GOVCIVUUDUKYOV-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO CC(=O)CCCSc1[nH+]cc2ccccn21 ZINC000071842810 384184497 /nfs/dbraw/zinc/18/44/97/384184497.db2.gz FDBSUADLYOEKME-UHFFFAOYSA-N 1 2 234.324 2.796 20 0 BFADLO c1cc([C@H]2CCCC[N@H+]2Cc2cccnc2)n[nH]1 ZINC000072357073 384211549 /nfs/dbraw/zinc/21/15/49/384211549.db2.gz BFBKFWAXENIQNG-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@H]2CCCC[N@@H+]2Cc2cccnc2)n[nH]1 ZINC000072357073 384211555 /nfs/dbraw/zinc/21/15/55/384211555.db2.gz BFBKFWAXENIQNG-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(F)cc1F ZINC000093326682 384229819 /nfs/dbraw/zinc/22/98/19/384229819.db2.gz SOFUFOLDHYMIIQ-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO CCC[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000158621297 384251192 /nfs/dbraw/zinc/25/11/92/384251192.db2.gz ZMNGELBRNBLTTE-LBPRGKRZSA-N 1 2 230.311 2.808 20 0 BFADLO Cc1ccc(NC(=O)CCC2CC2)c(C)[nH+]1 ZINC000119271839 384254790 /nfs/dbraw/zinc/25/47/90/384254790.db2.gz UCGGYDLIYVMZRL-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO Cc1csc(CNc2ccc[nH+]c2C)n1 ZINC000133590782 384255151 /nfs/dbraw/zinc/25/51/51/384255151.db2.gz LHMSGZIEWMMCKM-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO COCCSCc1cn2cc(C)ccc2[nH+]1 ZINC000173727581 384255935 /nfs/dbraw/zinc/25/59/35/384255935.db2.gz SOFGZBWOGUQNPC-UHFFFAOYSA-N 1 2 236.340 2.522 20 0 BFADLO CSC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119363064 384264272 /nfs/dbraw/zinc/26/42/72/384264272.db2.gz GVTNREZVWLIMSJ-MRVPVSSYSA-N 1 2 238.356 2.636 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768119 384269492 /nfs/dbraw/zinc/26/94/92/384269492.db2.gz WLNIAXLTIKRELS-CYBMUJFWSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000093768119 384269498 /nfs/dbraw/zinc/26/94/98/384269498.db2.gz WLNIAXLTIKRELS-CYBMUJFWSA-N 1 2 249.335 2.915 20 0 BFADLO CC(C)[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000133064308 384270056 /nfs/dbraw/zinc/27/00/56/384270056.db2.gz MRNIITNZBZJGLB-GFCCVEGCSA-N 1 2 234.343 2.732 20 0 BFADLO CCC[C@H]1C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119486767 384275836 /nfs/dbraw/zinc/27/58/36/384275836.db2.gz MTMRQDBUWSACPV-CMPLNLGQSA-N 1 2 233.315 2.700 20 0 BFADLO COC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccco1 ZINC000159286706 384317829 /nfs/dbraw/zinc/31/78/29/384317829.db2.gz CVOARDCXQMKFIJ-AAEUAGOBSA-N 1 2 246.310 2.713 20 0 BFADLO CCCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119573793 384287932 /nfs/dbraw/zinc/28/79/32/384287932.db2.gz NNYKFVOKUJCDPW-UHFFFAOYSA-N 1 2 221.304 2.654 20 0 BFADLO C[N@H+](Cc1noc(-c2ccccc2)n1)C1CCC1 ZINC000075842464 384342202 /nfs/dbraw/zinc/34/22/02/384342202.db2.gz FCHYRFSTPBCGSZ-UHFFFAOYSA-N 1 2 243.310 2.721 20 0 BFADLO C[N@@H+](Cc1noc(-c2ccccc2)n1)C1CCC1 ZINC000075842464 384342206 /nfs/dbraw/zinc/34/22/06/384342206.db2.gz FCHYRFSTPBCGSZ-UHFFFAOYSA-N 1 2 243.310 2.721 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1C ZINC000120431905 384351820 /nfs/dbraw/zinc/35/18/20/384351820.db2.gz RZTQCMVINVEYAE-SMDDNHRTSA-N 1 2 247.338 2.597 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1csnn1 ZINC000334147988 384353512 /nfs/dbraw/zinc/35/35/12/384353512.db2.gz XIWPYKRHJOZULC-SKDRFNHKSA-N 1 2 245.351 2.876 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1csnn1 ZINC000334147985 384355811 /nfs/dbraw/zinc/35/58/11/384355811.db2.gz XIWPYKRHJOZULC-BXKDBHETSA-N 1 2 245.351 2.876 20 0 BFADLO C[C@H]1C[NH+](Cc2cscn2)C[C@H](C)C1(F)F ZINC000625650169 384363793 /nfs/dbraw/zinc/36/37/93/384363793.db2.gz WLRZKISDXPVZRN-IUCAKERBSA-N 1 2 246.326 2.866 20 0 BFADLO Cc1cc[nH+]c(NC2CCOCC2)c1Cl ZINC000335599800 384369897 /nfs/dbraw/zinc/36/98/97/384369897.db2.gz YQZXZOKQCPDXLB-UHFFFAOYSA-N 1 2 226.707 2.634 20 0 BFADLO Cc1ccc(CNc2cc[nH+]cc2F)s1 ZINC000335599801 384370417 /nfs/dbraw/zinc/37/04/17/384370417.db2.gz YSIUBOZQBQESAS-UHFFFAOYSA-N 1 2 222.288 2.625 20 0 BFADLO CCN(CC)c1ccc(N[C@@H]2CCO[C@H]2C)c[nH+]1 ZINC000134125761 384333924 /nfs/dbraw/zinc/33/39/24/384333924.db2.gz SFTKLQUOFGFPCA-WCQYABFASA-N 1 2 249.358 2.517 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1nccs1 ZINC000135002059 384406879 /nfs/dbraw/zinc/40/68/79/384406879.db2.gz DOLXXTYCKXKVPI-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1nccs1 ZINC000135002059 384406884 /nfs/dbraw/zinc/40/68/84/384406884.db2.gz DOLXXTYCKXKVPI-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CO[C@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000224347487 384379445 /nfs/dbraw/zinc/37/94/45/384379445.db2.gz ICOLPRQGEXDHTD-LLVKDONJSA-N 1 2 230.311 2.990 20 0 BFADLO Cc1ncsc1CNc1ccc(C)[nH+]c1 ZINC000096033308 384425224 /nfs/dbraw/zinc/42/52/24/384425224.db2.gz VWEYZNNSMHWKEY-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)C(C)C ZINC000179865840 384383929 /nfs/dbraw/zinc/38/39/29/384383929.db2.gz HLIMPHFNQIVKMC-JTQLQIEISA-N 1 2 235.331 2.804 20 0 BFADLO CCS[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000175057310 384389300 /nfs/dbraw/zinc/38/93/00/384389300.db2.gz ISUYMPWAIKZOLP-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000076149736 384444831 /nfs/dbraw/zinc/44/48/31/384444831.db2.gz DWKONOBOGMZCKN-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000076149736 384444837 /nfs/dbraw/zinc/44/48/37/384444837.db2.gz DWKONOBOGMZCKN-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000121918788 384445081 /nfs/dbraw/zinc/44/50/81/384445081.db2.gz OFKNOKXUPJHGQN-ZYHUDNBSSA-N 1 2 247.342 2.900 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccccn1 ZINC000161134728 384467622 /nfs/dbraw/zinc/46/76/22/384467622.db2.gz PEWNDYUPVWAHTE-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1 ZINC000085182926 384509368 /nfs/dbraw/zinc/50/93/68/384509368.db2.gz PWEINNRSXOSCAV-UHFFFAOYSA-N 1 2 201.273 2.515 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ccon2)cs1 ZINC000449240333 384493895 /nfs/dbraw/zinc/49/38/95/384493895.db2.gz YMGADGCCZVAVHY-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@@H](C)CC)no1 ZINC000170790942 384520759 /nfs/dbraw/zinc/52/07/59/384520759.db2.gz IZZRHWBDSXOQGJ-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@@H](C)CC)no1 ZINC000170790942 384520763 /nfs/dbraw/zinc/52/07/63/384520763.db2.gz IZZRHWBDSXOQGJ-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CSCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486174 384527050 /nfs/dbraw/zinc/52/70/50/384527050.db2.gz KYNTVYPXLQMWPU-UHFFFAOYSA-N 1 2 236.262 2.875 20 0 BFADLO CSCC[N@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000151149131 384546177 /nfs/dbraw/zinc/54/61/77/384546177.db2.gz NCUDSQMRMIDRDP-VIFPVBQESA-N 1 2 243.376 2.549 20 0 BFADLO CSCC[N@@H+](C)[C@@H](C)c1nc(C(C)C)no1 ZINC000151149131 384546180 /nfs/dbraw/zinc/54/61/80/384546180.db2.gz NCUDSQMRMIDRDP-VIFPVBQESA-N 1 2 243.376 2.549 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)n1 ZINC000356894858 384537121 /nfs/dbraw/zinc/53/71/21/384537121.db2.gz NZZUCZLMBLCAHT-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233864764 384582258 /nfs/dbraw/zinc/58/22/58/384582258.db2.gz DJYCWYMVZYXRIM-RNFRBKRXSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233864764 384582265 /nfs/dbraw/zinc/58/22/65/384582265.db2.gz DJYCWYMVZYXRIM-RNFRBKRXSA-N 1 2 228.727 2.559 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccon1 ZINC000309762449 384588792 /nfs/dbraw/zinc/58/87/92/384588792.db2.gz IYTATWOBYJYZHJ-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@@H]2CCCOC2)c1 ZINC000309801125 384623379 /nfs/dbraw/zinc/62/33/79/384623379.db2.gz REYPLLPQOSDZQD-VXGBXAGGSA-N 1 2 220.316 2.617 20 0 BFADLO COC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000172765665 384625388 /nfs/dbraw/zinc/62/53/88/384625388.db2.gz SFTKAILKEATPSQ-ZDUSSCGKSA-N 1 2 243.310 2.585 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccnc2)oc1C ZINC000162469506 384625986 /nfs/dbraw/zinc/62/59/86/384625986.db2.gz DMRZHJHILNNGMA-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccnc2)oc1C ZINC000162469506 384625989 /nfs/dbraw/zinc/62/59/89/384625989.db2.gz DMRZHJHILNNGMA-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC1(C)COC1 ZINC000151598225 384597721 /nfs/dbraw/zinc/59/77/21/384597721.db2.gz URPJABCPWWAMJK-UHFFFAOYSA-N 1 2 242.322 2.992 20 0 BFADLO FC(F)C(F)(F)C[NH2+]Cc1cccs1 ZINC000086638941 384668336 /nfs/dbraw/zinc/66/83/36/384668336.db2.gz WNCJLLIQCFUVGW-UHFFFAOYSA-N 1 2 227.226 2.738 20 0 BFADLO CC(=O)CSCc1ccc(C)[nH+]c1C ZINC000186625535 384634523 /nfs/dbraw/zinc/63/45/23/384634523.db2.gz BVUNRXIQSQTUAC-UHFFFAOYSA-N 1 2 209.314 2.521 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(C)on1 ZINC000162524574 384640949 /nfs/dbraw/zinc/64/09/49/384640949.db2.gz UKGQXURPYYPGPZ-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C)on1 ZINC000162524574 384640958 /nfs/dbraw/zinc/64/09/58/384640958.db2.gz UKGQXURPYYPGPZ-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1nc(CSCc2ccc(C)[nH+]c2C)no1 ZINC000184814450 384653093 /nfs/dbraw/zinc/65/30/93/384653093.db2.gz XFYANOASIOYQAG-UHFFFAOYSA-N 1 2 249.339 2.823 20 0 BFADLO CC(C)(C)c1nc(NCc2cscn2)cc[nH+]1 ZINC000301541647 384657702 /nfs/dbraw/zinc/65/77/02/384657702.db2.gz SGOUASZZRPCSFS-UHFFFAOYSA-N 1 2 248.355 2.843 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030653 384724049 /nfs/dbraw/zinc/72/40/49/384724049.db2.gz JMELGJUOCXUJFG-QWRGUYRKSA-N 1 2 222.332 2.588 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000173490709 384683754 /nfs/dbraw/zinc/68/37/54/384683754.db2.gz MYKXCJRWQQIDNW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000173490709 384683762 /nfs/dbraw/zinc/68/37/62/384683762.db2.gz MYKXCJRWQQIDNW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CCOC(=O)C[N@H+](CC)C/C=C/c1ccccc1 ZINC000049949593 384685950 /nfs/dbraw/zinc/68/59/50/384685950.db2.gz OGHLRLZNFYQXPU-DHZHZOJOSA-N 1 2 247.338 2.585 20 0 BFADLO CCOC(=O)C[N@@H+](CC)C/C=C/c1ccccc1 ZINC000049949593 384685955 /nfs/dbraw/zinc/68/59/55/384685955.db2.gz OGHLRLZNFYQXPU-DHZHZOJOSA-N 1 2 247.338 2.585 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000162948430 384708823 /nfs/dbraw/zinc/70/88/23/384708823.db2.gz XRSNSMGRGYHKSL-PWSUYJOCSA-N 1 2 220.316 2.535 20 0 BFADLO CCc1ccccc1C[NH2+][C@@H](C(=O)OC)C(C)C ZINC000052200905 384709461 /nfs/dbraw/zinc/70/94/61/384709461.db2.gz BXDQMKSBSMVIGR-CQSZACIVSA-N 1 2 249.354 2.536 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CCSCC2)c1 ZINC000126160596 384776535 /nfs/dbraw/zinc/77/65/35/384776535.db2.gz NJQCVMQBRUNMQQ-UHFFFAOYSA-N 1 2 229.295 2.514 20 0 BFADLO COC[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000053173117 384769115 /nfs/dbraw/zinc/76/91/15/384769115.db2.gz HVKRDKDOWFZSKF-NSHDSACASA-N 1 2 222.332 2.508 20 0 BFADLO COc1cc[nH+]cc1NC/C=C\c1ccncc1 ZINC000487554051 533090095 /nfs/dbraw/zinc/09/00/95/533090095.db2.gz CVODAXUGKCXSAK-IHWYPQMZSA-N 1 2 241.294 2.611 20 0 BFADLO Cc1ccc(N[C@H]2CSC[C@@H]2C)c[nH+]1 ZINC000295871534 384800682 /nfs/dbraw/zinc/80/06/82/384800682.db2.gz XKIACBVYEPRGKZ-KWQFWETISA-N 1 2 208.330 2.553 20 0 BFADLO CC(C)CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000242851494 384872403 /nfs/dbraw/zinc/87/24/03/384872403.db2.gz FZWYFGPGGJPALP-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CC(C)CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000242851494 384872413 /nfs/dbraw/zinc/87/24/13/384872413.db2.gz FZWYFGPGGJPALP-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO Cc1ccc(/C=C\C(=O)Nc2cc[nH+]cc2C)o1 ZINC000255583424 384877047 /nfs/dbraw/zinc/87/70/47/384877047.db2.gz NPVGUVNLVBUTNX-WAYWQWQTSA-N 1 2 242.278 2.943 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1csnn1 ZINC000398285880 384887721 /nfs/dbraw/zinc/88/77/21/384887721.db2.gz NLLHBMABKJAKCD-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1ccccc1C ZINC000084102372 384839451 /nfs/dbraw/zinc/83/94/51/384839451.db2.gz SRWZXDUNOKLBJJ-TZMCWYRMSA-N 1 2 249.354 2.987 20 0 BFADLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ncc[nH]2)o1 ZINC000293344306 384839523 /nfs/dbraw/zinc/83/95/23/384839523.db2.gz GSJZYZSKSZANJU-JTQLQIEISA-N 1 2 248.330 2.509 20 0 BFADLO CCCc1nc(C)c(CN[C@@H](C)c2[nH]cc[nH+]2)o1 ZINC000293344306 384839529 /nfs/dbraw/zinc/83/95/29/384839529.db2.gz GSJZYZSKSZANJU-JTQLQIEISA-N 1 2 248.330 2.509 20 0 BFADLO CCCc1[nH+]c2ccccc2n1C[C@H](O)CC ZINC000156350088 384845139 /nfs/dbraw/zinc/84/51/39/384845139.db2.gz MLIKOTCJSSIMON-LLVKDONJSA-N 1 2 232.327 2.760 20 0 BFADLO c1nc(C[NH2+]Cc2ccc3c(c2)CCCC3)co1 ZINC000644383495 384853264 /nfs/dbraw/zinc/85/32/64/384853264.db2.gz SFLWKIOQOJOHAA-UHFFFAOYSA-N 1 2 242.322 2.843 20 0 BFADLO CCc1cc(N)nc(SC2CCCC2)[nH+]1 ZINC000279118591 384855658 /nfs/dbraw/zinc/85/56/58/384855658.db2.gz TYAFLVBHJKXAOG-UHFFFAOYSA-N 1 2 223.345 2.656 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000536471943 384860154 /nfs/dbraw/zinc/86/01/54/384860154.db2.gz XAKUERZCIXBBQC-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000536471943 384860159 /nfs/dbraw/zinc/86/01/59/384860159.db2.gz XAKUERZCIXBBQC-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCSCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000127342585 384860182 /nfs/dbraw/zinc/86/01/82/384860182.db2.gz KVSKONUHZFECHP-VIFPVBQESA-N 1 2 225.361 2.729 20 0 BFADLO CO[C@@H](C)c1nc(C[NH+]2CCCCC2)cs1 ZINC000175070998 384865342 /nfs/dbraw/zinc/86/53/42/384865342.db2.gz PVHHJTJXMNNKBG-JTQLQIEISA-N 1 2 240.372 2.836 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@H]1C[C@@H]1C)C(F)(F)F ZINC000308646516 384896138 /nfs/dbraw/zinc/89/61/38/384896138.db2.gz HWPDGNKCOFWUIJ-YIZRAAEISA-N 1 2 209.255 2.819 20 0 BFADLO C[N@@H+](Cc1cscn1)Cc1cccs1 ZINC000057595920 384958267 /nfs/dbraw/zinc/95/82/67/384958267.db2.gz QISDWTHBIPYLAM-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@H+](Cc1cscn1)Cc1cccs1 ZINC000057595920 384958275 /nfs/dbraw/zinc/95/82/75/384958275.db2.gz QISDWTHBIPYLAM-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO CSCCCCCNc1cc(C)[nH+]cn1 ZINC000229570836 384900549 /nfs/dbraw/zinc/90/05/49/384900549.db2.gz XRBZNOSRGMKJFV-UHFFFAOYSA-N 1 2 225.361 2.730 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000448836616 384903744 /nfs/dbraw/zinc/90/37/44/384903744.db2.gz QERQYWRDHMOPMP-UTUOFQBUSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H]2CCCOC2)c1Cl ZINC000336495867 384910417 /nfs/dbraw/zinc/91/04/17/384910417.db2.gz NZRNDXQJWDNNTH-JTQLQIEISA-N 1 2 240.734 2.882 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cccn2C)o1 ZINC000175492846 384916632 /nfs/dbraw/zinc/91/66/32/384916632.db2.gz PVWXTJCUYYUAPB-CYBMUJFWSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cccn2C)o1 ZINC000175492846 384916640 /nfs/dbraw/zinc/91/66/40/384916640.db2.gz PVWXTJCUYYUAPB-CYBMUJFWSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1ccoc1CNc1ccc(C)[nH+]c1 ZINC000128012737 384922122 /nfs/dbraw/zinc/92/21/22/384922122.db2.gz DFUGMXPVTAOGLQ-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)CCC1CCC1 ZINC000175559299 384924346 /nfs/dbraw/zinc/92/43/46/384924346.db2.gz GDBWCLSJKCNMEX-UHFFFAOYSA-N 1 2 247.342 2.666 20 0 BFADLO Cc1ncc(CNc2ccc(C)[nH+]c2)s1 ZINC000128063740 384927144 /nfs/dbraw/zinc/92/71/44/384927144.db2.gz KLQDFDOAMSZKEK-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301803631 384928473 /nfs/dbraw/zinc/92/84/73/384928473.db2.gz ATIKTEVFVGKRAU-SECBINFHSA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301803631 384928479 /nfs/dbraw/zinc/92/84/79/384928479.db2.gz ATIKTEVFVGKRAU-SECBINFHSA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(F)F ZINC000565760985 384947904 /nfs/dbraw/zinc/94/79/04/384947904.db2.gz AEIGSWSOHTVLBY-NSHDSACASA-N 1 2 240.297 2.704 20 0 BFADLO CS[C@@H](C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000128853855 384966094 /nfs/dbraw/zinc/96/60/94/384966094.db2.gz QAOPFCDURZFHAQ-VIFPVBQESA-N 1 2 239.388 2.938 20 0 BFADLO CCC[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107359815 384967034 /nfs/dbraw/zinc/96/70/34/384967034.db2.gz ZZLQIAOEXHKBSI-VIFPVBQESA-N 1 2 206.289 2.765 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2ncsc2c1 ZINC000177355301 384977736 /nfs/dbraw/zinc/97/77/36/384977736.db2.gz JENIYFVIFMIEDW-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO Cc1cc(CNc2c[nH+]ccc2C)sn1 ZINC000404407481 384978107 /nfs/dbraw/zinc/97/81/07/384978107.db2.gz FOSHLQJEBDIBEZ-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2conc2C)s1 ZINC000339294272 384982090 /nfs/dbraw/zinc/98/20/90/384982090.db2.gz RXLVVKPVEOZPEO-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO Cn1cccc1CNc1ccc([NH+](C)C)cc1 ZINC000058733164 385020440 /nfs/dbraw/zinc/02/04/40/385020440.db2.gz HSWNSQNVIWIFIC-UHFFFAOYSA-N 1 2 229.327 2.703 20 0 BFADLO CC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302072857 384964261 /nfs/dbraw/zinc/96/42/61/384964261.db2.gz ZQMQHFOBMYLHPQ-SECBINFHSA-N 1 2 219.332 2.874 20 0 BFADLO C[C@H]([NH2+]c1ccc(OC2COC2)cc1)C1CC1 ZINC000188653174 385074293 /nfs/dbraw/zinc/07/42/93/385074293.db2.gz VEBKTDKWOASUGE-JTQLQIEISA-N 1 2 233.311 2.675 20 0 BFADLO CSCCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000129063807 385108146 /nfs/dbraw/zinc/10/81/46/385108146.db2.gz DBVZLMWGGMYXKC-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CC(C)c1nc(C[NH+]2CCC3(CCC3)CC2)n[nH]1 ZINC000644692447 385110016 /nfs/dbraw/zinc/11/00/16/385110016.db2.gz MDDIKHNVUKMJFG-UHFFFAOYSA-N 1 2 248.374 2.694 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCCS2)cc[nH+]1 ZINC000128048095 385112147 /nfs/dbraw/zinc/11/21/47/385112147.db2.gz MDAFYQKAXZOYCC-JTQLQIEISA-N 1 2 237.372 2.908 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000176735851 385141637 /nfs/dbraw/zinc/14/16/37/385141637.db2.gz QDSBODJSAKEDOF-SKDRFNHKSA-N 1 2 247.342 2.961 20 0 BFADLO CC(C)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644717107 385136259 /nfs/dbraw/zinc/13/62/59/385136259.db2.gz GIZPLBSJYRRBKA-CABCVRRESA-N 1 2 231.339 2.783 20 0 BFADLO CC(C)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644717107 385136264 /nfs/dbraw/zinc/13/62/64/385136264.db2.gz GIZPLBSJYRRBKA-CABCVRRESA-N 1 2 231.339 2.783 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)o1 ZINC000061801557 385138943 /nfs/dbraw/zinc/13/89/43/385138943.db2.gz JAQZNUSLUXYXKU-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccccc2)o1 ZINC000061801557 385138948 /nfs/dbraw/zinc/13/89/48/385138948.db2.gz JAQZNUSLUXYXKU-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C)C1 ZINC000286960931 385085853 /nfs/dbraw/zinc/08/58/53/385085853.db2.gz ARJDMYYKEYUYOZ-SECBINFHSA-N 1 2 233.315 2.572 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000176735866 385140576 /nfs/dbraw/zinc/14/05/76/385140576.db2.gz QDSBODJSAKEDOF-JOYOIKCWSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000644682220 385097053 /nfs/dbraw/zinc/09/70/53/385097053.db2.gz WAFNJNOQVDZBBK-DLOVCJGASA-N 1 2 237.322 2.526 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000644682220 385097059 /nfs/dbraw/zinc/09/70/59/385097059.db2.gz WAFNJNOQVDZBBK-DLOVCJGASA-N 1 2 237.322 2.526 20 0 BFADLO CCCCN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152401225 385181469 /nfs/dbraw/zinc/18/14/69/385181469.db2.gz LQAKGNGNVHQIKP-UHFFFAOYSA-N 1 2 235.331 2.962 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2cncc(C)c2)s1 ZINC000189794413 385184484 /nfs/dbraw/zinc/18/44/84/385184484.db2.gz ZRXAVROGJYLGIV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2cncc(C)c2)s1 ZINC000189794413 385184492 /nfs/dbraw/zinc/18/44/92/385184492.db2.gz ZRXAVROGJYLGIV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)Cc1cccc(Cl)c1 ZINC000109825655 385192878 /nfs/dbraw/zinc/19/28/78/385192878.db2.gz CEEKMDBZDCXVOT-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc(Cl)c1 ZINC000109825655 385192882 /nfs/dbraw/zinc/19/28/82/385192882.db2.gz CEEKMDBZDCXVOT-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc(Cl)c1 ZINC000109825655 385192885 /nfs/dbraw/zinc/19/28/85/385192885.db2.gz CEEKMDBZDCXVOT-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000189900054 385195853 /nfs/dbraw/zinc/19/58/53/385195853.db2.gz UPWNCOOHMAZOQQ-SNVBAGLBSA-N 1 2 235.331 2.522 20 0 BFADLO CCSCc1cn2cccc(C)c2[nH+]1 ZINC000176899461 385157458 /nfs/dbraw/zinc/15/74/58/385157458.db2.gz LYAFUJXCLLDAQT-UHFFFAOYSA-N 1 2 206.314 2.896 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccccn1 ZINC000294148983 385166954 /nfs/dbraw/zinc/16/69/54/385166954.db2.gz PWUARTKWOWCURF-GMXVVIOVSA-N 1 2 242.326 2.635 20 0 BFADLO CC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110111643 385212680 /nfs/dbraw/zinc/21/26/80/385212680.db2.gz PMSWPOAXBFNDIL-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000448959745 385216786 /nfs/dbraw/zinc/21/67/86/385216786.db2.gz AHUDWNZNNCITGO-AAEUAGOBSA-N 1 2 232.327 2.577 20 0 BFADLO CC[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000152852019 385218484 /nfs/dbraw/zinc/21/84/84/385218484.db2.gz AXGDWUSUQSVTTA-NSHDSACASA-N 1 2 231.343 2.899 20 0 BFADLO FC(F)(F)C1(CNc2cccc[nH+]2)CC1 ZINC000308889440 385244586 /nfs/dbraw/zinc/24/45/86/385244586.db2.gz VXBMFZUHNQMRRW-UHFFFAOYSA-N 1 2 216.206 2.836 20 0 BFADLO c1ccc2c(c1)CN(c1cc[nH+]c(C3CC3)n1)C2 ZINC000110586283 385250070 /nfs/dbraw/zinc/25/00/70/385250070.db2.gz KIRCSSLZISQILM-UHFFFAOYSA-N 1 2 237.306 2.874 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1ccncc1F ZINC000449003786 385255538 /nfs/dbraw/zinc/25/55/38/385255538.db2.gz SSPBXWPGAUWJGQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1ccncc1F ZINC000449003786 385255541 /nfs/dbraw/zinc/25/55/41/385255541.db2.gz SSPBXWPGAUWJGQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO Cc1cc(NC(=O)c2cc(F)cc(F)c2)cc[nH+]1 ZINC000015544140 385305926 /nfs/dbraw/zinc/30/59/26/385305926.db2.gz WRPHSLLLDOGAPP-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO C[C@H](O)CCCNc1ccc2ccccc2[nH+]1 ZINC000227994576 385308656 /nfs/dbraw/zinc/30/86/56/385308656.db2.gz GKCTZHBYORVWQH-NSHDSACASA-N 1 2 230.311 2.808 20 0 BFADLO Cc1cc(N[C@H]2COCC2(C)C)nc(C(C)C)[nH+]1 ZINC000313064061 385317102 /nfs/dbraw/zinc/31/71/02/385317102.db2.gz QVKBENMCRHZEJH-NSHDSACASA-N 1 2 249.358 2.745 20 0 BFADLO FC(F)(F)c1csc(C[NH+]2CCCC2)n1 ZINC000131251111 385321564 /nfs/dbraw/zinc/32/15/64/385321564.db2.gz DNWYLOXBJKMWQE-UHFFFAOYSA-N 1 2 236.262 2.758 20 0 BFADLO CO[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000191227207 385295601 /nfs/dbraw/zinc/29/56/01/385295601.db2.gz MNZYZBHNELOGHD-JTQLQIEISA-N 1 2 216.284 2.682 20 0 BFADLO CO[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000191227219 385295748 /nfs/dbraw/zinc/29/57/48/385295748.db2.gz MNZYZBHNELOGHD-SNVBAGLBSA-N 1 2 216.284 2.682 20 0 BFADLO Cl/C=C/C[NH+]1CCN(c2cccs2)CC1 ZINC000131413827 385332586 /nfs/dbraw/zinc/33/25/86/385332586.db2.gz DOYLYHPOBBHEEK-DUXPYHPUSA-N 1 2 242.775 2.623 20 0 BFADLO C[N@H+](CCCOc1ccccc1)Cc1cocn1 ZINC000191933333 385333428 /nfs/dbraw/zinc/33/34/28/385333428.db2.gz OIRFGRWCOANSRI-UHFFFAOYSA-N 1 2 246.310 2.576 20 0 BFADLO C[N@@H+](CCCOc1ccccc1)Cc1cocn1 ZINC000191933333 385333433 /nfs/dbraw/zinc/33/34/33/385333433.db2.gz OIRFGRWCOANSRI-UHFFFAOYSA-N 1 2 246.310 2.576 20 0 BFADLO CC(C)(C)n1cc(CNc2cc[nH+]cc2F)cn1 ZINC000192150069 385344873 /nfs/dbraw/zinc/34/48/73/385344873.db2.gz SYMIDLOJOYZSQU-UHFFFAOYSA-N 1 2 248.305 2.784 20 0 BFADLO CCOc1cccc([C@@H](C)[NH2+]Cc2ccon2)c1 ZINC000178262605 385348786 /nfs/dbraw/zinc/34/87/86/385348786.db2.gz NAQBCXBTEZUODQ-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCOCC1 ZINC000131877042 385368188 /nfs/dbraw/zinc/36/81/88/385368188.db2.gz OMHLXMORDILVBI-JTQLQIEISA-N 1 2 247.342 2.581 20 0 BFADLO Cc1ccoc1CNc1cc[nH+]cc1F ZINC000309098492 385407523 /nfs/dbraw/zinc/40/75/23/385407523.db2.gz FTZHQHVNXLXWAT-UHFFFAOYSA-N 1 2 206.220 2.734 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+]Cc2ncccn2)c1 ZINC000160228905 385421858 /nfs/dbraw/zinc/42/18/58/385421858.db2.gz HYFOBQOTNGFJSA-GFCCVEGCSA-N 1 2 227.311 2.636 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCc1ccccc1 ZINC000179317333 385458395 /nfs/dbraw/zinc/45/83/95/385458395.db2.gz QIKZFNZVGBQUIO-UHFFFAOYSA-N 1 2 243.354 2.783 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCc1ccccc1 ZINC000179317333 385458399 /nfs/dbraw/zinc/45/83/99/385458399.db2.gz QIKZFNZVGBQUIO-UHFFFAOYSA-N 1 2 243.354 2.783 20 0 BFADLO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cocn1 ZINC000182077012 385428357 /nfs/dbraw/zinc/42/83/57/385428357.db2.gz QIVLSLODJICQEJ-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO CO[C@@](C)(CNc1cc2cc[nH]c2c[nH+]1)C1CC1 ZINC000643164143 385470730 /nfs/dbraw/zinc/47/07/30/385470730.db2.gz BJKBDKCFDGRZLH-AWEZNQCLSA-N 1 2 245.326 2.790 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cncs1 ZINC000179564487 385473734 /nfs/dbraw/zinc/47/37/34/385473734.db2.gz GBLXBDMFBZGSCM-SNVBAGLBSA-N 1 2 233.340 2.521 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cncs1 ZINC000179564487 385473735 /nfs/dbraw/zinc/47/37/35/385473735.db2.gz GBLXBDMFBZGSCM-SNVBAGLBSA-N 1 2 233.340 2.521 20 0 BFADLO Cc1nnc(C[NH2+]C(C)(C)c2cccc(F)c2)o1 ZINC000179576066 385474846 /nfs/dbraw/zinc/47/48/46/385474846.db2.gz DCDFIDQZCRJCCA-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@H]2C2CC2)s1 ZINC000336216325 385476699 /nfs/dbraw/zinc/47/66/99/385476699.db2.gz SESVAUIBIBAXKS-QMMMGPOBSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@H]2C2CC2)s1 ZINC000336216325 385476705 /nfs/dbraw/zinc/47/67/05/385476705.db2.gz SESVAUIBIBAXKS-QMMMGPOBSA-N 1 2 228.748 2.781 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364581325 385483010 /nfs/dbraw/zinc/48/30/10/385483010.db2.gz PIFNFCGRAQHJEX-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364581325 385483014 /nfs/dbraw/zinc/48/30/14/385483014.db2.gz PIFNFCGRAQHJEX-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CSCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000308198605 385487145 /nfs/dbraw/zinc/48/71/45/385487145.db2.gz VVAMSYMNKMWYQH-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO CSCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000308198605 385487148 /nfs/dbraw/zinc/48/71/48/385487148.db2.gz VVAMSYMNKMWYQH-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO Cc1cc(C)cc(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000109889009 385491268 /nfs/dbraw/zinc/49/12/68/385491268.db2.gz LMHMBDQLOUIDMZ-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C[C@H]2CCCO2)cc[nH+]1 ZINC000110484552 385493042 /nfs/dbraw/zinc/49/30/42/385493042.db2.gz PQKFHMRWVQIDLY-NWDGAFQWSA-N 1 2 249.358 2.970 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000179865607 385496160 /nfs/dbraw/zinc/49/61/60/385496160.db2.gz CTKPYPPSUKEQOE-PHIMTYICSA-N 1 2 245.326 2.510 20 0 BFADLO Fc1cccc(CCCn2cc[nH+]c2)c1 ZINC000180112510 385507486 /nfs/dbraw/zinc/50/74/86/385507486.db2.gz OKAFMNQCSNIVSE-UHFFFAOYSA-N 1 2 204.248 2.655 20 0 BFADLO CC(C)c1nc(NCc2ccco2)cc[nH+]1 ZINC000106461670 385510227 /nfs/dbraw/zinc/51/02/27/385510227.db2.gz XBQNLWRXSWSBBL-UHFFFAOYSA-N 1 2 217.272 2.805 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000172860829 385537566 /nfs/dbraw/zinc/53/75/66/385537566.db2.gz LVWJPBJNAHVVNK-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)no1 ZINC000172860829 385537570 /nfs/dbraw/zinc/53/75/70/385537570.db2.gz LVWJPBJNAHVVNK-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO Cc1cc(C)cc([C@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC000361033936 385520828 /nfs/dbraw/zinc/52/08/28/385520828.db2.gz UYGCYWBWHMXMNS-LBPRGKRZSA-N 1 2 241.338 2.997 20 0 BFADLO Clc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828970 385524087 /nfs/dbraw/zinc/52/40/87/385524087.db2.gz OQQLWXISNPORFJ-TXEJJXNPSA-N 1 2 237.730 2.703 20 0 BFADLO Clc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000364828970 385524090 /nfs/dbraw/zinc/52/40/90/385524090.db2.gz OQQLWXISNPORFJ-TXEJJXNPSA-N 1 2 237.730 2.703 20 0 BFADLO Cc1ccoc1C(=O)Nc1cc[nH+]cc1C ZINC000107291942 385560906 /nfs/dbraw/zinc/56/09/06/385560906.db2.gz OREVFRKFBUBENT-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1cccc(F)c1F ZINC000181950963 385620583 /nfs/dbraw/zinc/62/05/83/385620583.db2.gz YCFOSBJHHMPKQU-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CC[C@H]([NH2+]Cc1ccon1)c1nc(C)cs1 ZINC000184366574 385633526 /nfs/dbraw/zinc/63/35/26/385633526.db2.gz XXMZNXRBWCERJK-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO CCOc1cccc([C@H](C)[NH2+]Cc2cocn2)c1 ZINC000182075414 385633590 /nfs/dbraw/zinc/63/35/90/385633590.db2.gz VSSBPKFLPNNRDR-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO FC(F)C1([NH2+]Cc2ccsc2)CC1 ZINC000336650414 385613083 /nfs/dbraw/zinc/61/30/83/385613083.db2.gz IAGZRFDAUSHCIP-UHFFFAOYSA-N 1 2 203.257 2.635 20 0 BFADLO Cc1[nH]c(C(=O)NCC(C)(C)C2CCCC2)c[nH+]1 ZINC000269853746 385641597 /nfs/dbraw/zinc/64/15/97/385641597.db2.gz GUEKKAZBRBTBJF-UHFFFAOYSA-N 1 2 249.358 2.664 20 0 BFADLO CCOc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000293584564 385665383 /nfs/dbraw/zinc/66/53/83/385665383.db2.gz AZGQUQMKJADVKE-CYBMUJFWSA-N 1 2 243.310 2.839 20 0 BFADLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccsc1 ZINC000281301716 385656646 /nfs/dbraw/zinc/65/66/46/385656646.db2.gz PSHINAVFSGQLQF-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccsc1 ZINC000281301716 385656648 /nfs/dbraw/zinc/65/66/48/385656648.db2.gz PSHINAVFSGQLQF-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CC(C)c1nc(N[C@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000309536040 385675882 /nfs/dbraw/zinc/67/58/82/385675882.db2.gz FAJTVPREBINEAV-QWRGUYRKSA-N 1 2 217.316 2.810 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc(F)c1Cl ZINC000309536534 385677210 /nfs/dbraw/zinc/67/72/10/385677210.db2.gz XEFYNWCQOUDTJJ-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1cc[nH+]c(NCCC[C@H](C)CO)c1Cl ZINC000309547279 385681997 /nfs/dbraw/zinc/68/19/97/385681997.db2.gz HEUWNLWCZQGSGK-VIFPVBQESA-N 1 2 242.750 2.864 20 0 BFADLO COC[C@H](CC(C)C)Nc1c[nH+]cc(C)c1 ZINC000309552790 385684126 /nfs/dbraw/zinc/68/41/26/385684126.db2.gz IUUMACJZSYWTHZ-ZDUSSCGKSA-N 1 2 222.332 2.863 20 0 BFADLO CC[N@H+](CCOC)Cc1c(F)cccc1Cl ZINC000337506426 385691338 /nfs/dbraw/zinc/69/13/38/385691338.db2.gz QLUWIOGADWQTFW-UHFFFAOYSA-N 1 2 245.725 2.947 20 0 BFADLO CC[N@@H+](CCOC)Cc1c(F)cccc1Cl ZINC000337506426 385691343 /nfs/dbraw/zinc/69/13/43/385691343.db2.gz QLUWIOGADWQTFW-UHFFFAOYSA-N 1 2 245.725 2.947 20 0 BFADLO Cc1nonc1C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000270345903 385698834 /nfs/dbraw/zinc/69/88/34/385698834.db2.gz GDPTVXGWLADWCF-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1nonc1C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000270345903 385698837 /nfs/dbraw/zinc/69/88/37/385698837.db2.gz GDPTVXGWLADWCF-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO CC(C)c1nc(N[C@H]2CCCSC2)cc[nH+]1 ZINC000309570369 385701039 /nfs/dbraw/zinc/70/10/39/385701039.db2.gz NLNGLCWQMXMBLI-JTQLQIEISA-N 1 2 237.372 2.908 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC1(C)CCCC1 ZINC000271116278 385786627 /nfs/dbraw/zinc/78/66/27/385786627.db2.gz HPZGDRPYCDCCGG-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccco2)s1 ZINC000271045312 385774945 /nfs/dbraw/zinc/77/49/45/385774945.db2.gz QPJOWLUQUNVKSJ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccco2)s1 ZINC000271045312 385774952 /nfs/dbraw/zinc/77/49/52/385774952.db2.gz QPJOWLUQUNVKSJ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000182919906 385719505 /nfs/dbraw/zinc/71/95/05/385719505.db2.gz RZANHZXMJDKQRX-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCOc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000271186681 385800559 /nfs/dbraw/zinc/80/05/59/385800559.db2.gz JTSBQILCOALZMG-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000271186681 385800565 /nfs/dbraw/zinc/80/05/65/385800565.db2.gz JTSBQILCOALZMG-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Cc1nnc(C[N@H+](C)CCc2ccccc2)s1 ZINC000271383962 385822385 /nfs/dbraw/zinc/82/23/85/385822385.db2.gz DTYSPYVNVZCFHT-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1nnc(C[N@@H+](C)CCc2ccccc2)s1 ZINC000271383962 385822386 /nfs/dbraw/zinc/82/23/86/385822386.db2.gz DTYSPYVNVZCFHT-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO C[C@@H]1C[C@H](CNc2cc[nH+]c(C3CC3)n2)CCO1 ZINC000271417169 385825629 /nfs/dbraw/zinc/82/56/29/385825629.db2.gz ULGHKMUHLAPVCM-GHMZBOCLSA-N 1 2 247.342 2.581 20 0 BFADLO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c(C)n1 ZINC000271496594 385833847 /nfs/dbraw/zinc/83/38/47/385833847.db2.gz WORXLORTPZMMRS-KOLCDFICSA-N 1 2 205.305 2.552 20 0 BFADLO FC(F)(F)C1=CC[N@H+](Cc2ccns2)CC1 ZINC000638114176 385849125 /nfs/dbraw/zinc/84/91/25/385849125.db2.gz HVYPICSOZPVHET-UHFFFAOYSA-N 1 2 248.273 2.838 20 0 BFADLO FC(F)(F)C1=CC[N@@H+](Cc2ccns2)CC1 ZINC000638114176 385849126 /nfs/dbraw/zinc/84/91/26/385849126.db2.gz HVYPICSOZPVHET-UHFFFAOYSA-N 1 2 248.273 2.838 20 0 BFADLO FCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292568648 385852799 /nfs/dbraw/zinc/85/27/99/385852799.db2.gz BMTAUJWQCVCRKK-SNVBAGLBSA-N 1 2 217.234 2.942 20 0 BFADLO Cc1nnc(C[NH2+]C2(c3ccccc3)CC2)s1 ZINC000271856841 385855222 /nfs/dbraw/zinc/85/52/22/385855222.db2.gz SMGBYARPJYSWMD-UHFFFAOYSA-N 1 2 245.351 2.625 20 0 BFADLO Cc1cc[nH+]c(N[C@@H]2C[C@@H](O)C2(C)C)c1Cl ZINC000309688707 385791815 /nfs/dbraw/zinc/79/18/15/385791815.db2.gz IHQXBLVYDNFJJV-RKDXNWHRSA-N 1 2 240.734 2.615 20 0 BFADLO Cc1cc[nH+]c(NC[C@@]2(C)CCOC2)c1Cl ZINC000309690858 385795653 /nfs/dbraw/zinc/79/56/53/385795653.db2.gz JEUIAKDKVDIENH-GFCCVEGCSA-N 1 2 240.734 2.882 20 0 BFADLO CCC[C@H](C[NH2+][C@@H](C)C(=O)OC)c1ccccc1 ZINC000272430697 385901291 /nfs/dbraw/zinc/90/12/91/385901291.db2.gz QHFRZFZKEDHXIW-GXTWGEPZSA-N 1 2 249.354 2.721 20 0 BFADLO CCC[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)OC ZINC000294841881 385903846 /nfs/dbraw/zinc/90/38/46/385903846.db2.gz BFQFVSYDCIIFPC-GFCCVEGCSA-N 1 2 249.358 2.889 20 0 BFADLO COCc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000272481239 385906617 /nfs/dbraw/zinc/90/66/17/385906617.db2.gz MCVBWUCQRNYYBB-UHFFFAOYSA-N 1 2 235.302 2.892 20 0 BFADLO COCc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000272481239 385906622 /nfs/dbraw/zinc/90/66/22/385906622.db2.gz MCVBWUCQRNYYBB-UHFFFAOYSA-N 1 2 235.302 2.892 20 0 BFADLO CC(C)(C)OC(=O)CCCNc1cccc[nH+]1 ZINC000342011809 385911134 /nfs/dbraw/zinc/91/11/34/385911134.db2.gz BLTGUPWFIKFDPF-UHFFFAOYSA-N 1 2 236.315 2.615 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2cnns2)CC1 ZINC000294895250 385912063 /nfs/dbraw/zinc/91/20/63/385912063.db2.gz GOMQCLILHUWKRY-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2cnns2)CC1 ZINC000294895250 385912067 /nfs/dbraw/zinc/91/20/67/385912067.db2.gz GOMQCLILHUWKRY-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO FC(F)(F)CC1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341991614 385915731 /nfs/dbraw/zinc/91/57/31/385915731.db2.gz NXSMEGMMMMJWNC-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000341991614 385915744 /nfs/dbraw/zinc/91/57/44/385915744.db2.gz NXSMEGMMMMJWNC-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO CC(C)[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000294916035 385916776 /nfs/dbraw/zinc/91/67/76/385916776.db2.gz NTTUISBMQCEPME-UHFFFAOYSA-N 1 2 215.243 2.511 20 0 BFADLO CCC(CC)n1ccc(COCc2[nH]cc[nH+]2)n1 ZINC000272010697 385868704 /nfs/dbraw/zinc/86/87/04/385868704.db2.gz GGEMJDNEFBTPKM-UHFFFAOYSA-N 1 2 248.330 2.684 20 0 BFADLO CO[C@@H](C[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000284457282 385871705 /nfs/dbraw/zinc/87/17/05/385871705.db2.gz RQZISPVAYUXKNE-AWEZNQCLSA-N 1 2 235.302 2.933 20 0 BFADLO CO[C@@H](C[N@H+]1CCC=C(F)C1)c1ccccc1 ZINC000284457282 385871707 /nfs/dbraw/zinc/87/17/07/385871707.db2.gz RQZISPVAYUXKNE-AWEZNQCLSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1oncc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000189314087 385976585 /nfs/dbraw/zinc/97/65/85/385976585.db2.gz QPNBEOWTWGROAA-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1oncc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000189314087 385976591 /nfs/dbraw/zinc/97/65/91/385976591.db2.gz QPNBEOWTWGROAA-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414133449 385980693 /nfs/dbraw/zinc/98/06/93/385980693.db2.gz GUQLCHXGTVYBQB-NSHDSACASA-N 1 2 245.326 2.582 20 0 BFADLO Cc1ccc(NC(=O)CSC2CC2)c(C)[nH+]1 ZINC000294992337 385939212 /nfs/dbraw/zinc/93/92/12/385939212.db2.gz PHEAADUGJBBENF-UHFFFAOYSA-N 1 2 236.340 2.533 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCO1 ZINC000335052658 385950845 /nfs/dbraw/zinc/95/08/45/385950845.db2.gz FMPMRTNLMSCRGV-IINYFYTJSA-N 1 2 232.327 2.634 20 0 BFADLO COCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000272943172 385952859 /nfs/dbraw/zinc/95/28/59/385952859.db2.gz XEBWYJKMMBWKRX-JTQLQIEISA-N 1 2 249.358 2.501 20 0 BFADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1cc[nH]n1 ZINC000295108123 385967795 /nfs/dbraw/zinc/96/77/95/385967795.db2.gz LHOCCIVBROGJRO-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccncc1F ZINC000338337775 385969469 /nfs/dbraw/zinc/96/94/69/385969469.db2.gz BYQHVWMOLOITMN-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO Cc1noc([C@H]2CCCC[N@@H+]2C/C=C/Cl)n1 ZINC000285820162 385969821 /nfs/dbraw/zinc/96/98/21/385969821.db2.gz WGSNOAILECGJMD-DFVUYQKZSA-N 1 2 241.722 2.658 20 0 BFADLO Cc1noc([C@H]2CCCC[N@H+]2C/C=C/Cl)n1 ZINC000285820162 385969825 /nfs/dbraw/zinc/96/98/25/385969825.db2.gz WGSNOAILECGJMD-DFVUYQKZSA-N 1 2 241.722 2.658 20 0 BFADLO CCC[C@H]([NH2+]Cc1cn[nH]c1C)c1cccnc1 ZINC000273450668 386001225 /nfs/dbraw/zinc/00/12/25/386001225.db2.gz FXTCGQNTVJBKNP-AWEZNQCLSA-N 1 2 244.342 2.744 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000295263513 386003064 /nfs/dbraw/zinc/00/30/64/386003064.db2.gz BWNHEHQYYZGNBY-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000295263513 386003068 /nfs/dbraw/zinc/00/30/68/386003068.db2.gz BWNHEHQYYZGNBY-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)ccn2)on1 ZINC000286246498 386014174 /nfs/dbraw/zinc/01/41/74/386014174.db2.gz UGFPHPWARVXWJS-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)c1cc(N[C@H]2C[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000295342198 386014466 /nfs/dbraw/zinc/01/44/66/386014466.db2.gz NEHQMWZKBLPCRI-PHIMTYICSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1ccc(NC(=O)[C@]23C[C@H]2CCC3)c(C)[nH+]1 ZINC000335069814 386017013 /nfs/dbraw/zinc/01/70/13/386017013.db2.gz RGTRCPKRCLSAJG-BXUZGUMPSA-N 1 2 230.311 2.827 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000414181583 386021946 /nfs/dbraw/zinc/02/19/46/386021946.db2.gz MOFUWBLGUIRPLU-GHMZBOCLSA-N 1 2 247.342 2.987 20 0 BFADLO C[NH2+]Cc1noc(C(CC(C)C)CC(C)C)n1 ZINC000414637290 386024630 /nfs/dbraw/zinc/02/46/30/386024630.db2.gz BUNAODMKGYZGQL-UHFFFAOYSA-N 1 2 239.363 2.965 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000295474528 386036526 /nfs/dbraw/zinc/03/65/26/386036526.db2.gz AJTLNTUILDGRRP-SNVBAGLBSA-N 1 2 235.331 2.583 20 0 BFADLO Cc1ccc([C@H]2COCC[N@@H+]2CCCCF)o1 ZINC000286461688 386040063 /nfs/dbraw/zinc/04/00/63/386040063.db2.gz OQPCNPOSOXIKHM-GFCCVEGCSA-N 1 2 241.306 2.711 20 0 BFADLO Cc1ccc([C@H]2COCC[N@H+]2CCCCF)o1 ZINC000286461688 386040070 /nfs/dbraw/zinc/04/00/70/386040070.db2.gz OQPCNPOSOXIKHM-GFCCVEGCSA-N 1 2 241.306 2.711 20 0 BFADLO CS[C@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273951849 386053963 /nfs/dbraw/zinc/05/39/63/386053963.db2.gz OFPMETLWZLOINV-SECBINFHSA-N 1 2 249.339 2.788 20 0 BFADLO Cc1ccc(C[S@](=O)CC(C)(C)C)c(C)[nH+]1 ZINC000414243492 386054686 /nfs/dbraw/zinc/05/46/86/386054686.db2.gz OXUQGFPTGUFNKN-INIZCTEOSA-N 1 2 239.384 2.993 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccccc2Cl)nn1C ZINC000414242243 386054767 /nfs/dbraw/zinc/05/47/67/386054767.db2.gz MVDDYYUEMSVCPY-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO COCc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000274479990 386108755 /nfs/dbraw/zinc/10/87/55/386108755.db2.gz MHTCXKCRIGPOPP-UHFFFAOYSA-N 1 2 235.302 2.892 20 0 BFADLO COCc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000274479990 386108764 /nfs/dbraw/zinc/10/87/64/386108764.db2.gz MHTCXKCRIGPOPP-UHFFFAOYSA-N 1 2 235.302 2.892 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000295946867 386110709 /nfs/dbraw/zinc/11/07/09/386110709.db2.gz GUDWKLJYUSWSFA-CQSZACIVSA-N 1 2 247.317 2.658 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000295946867 386110718 /nfs/dbraw/zinc/11/07/18/386110718.db2.gz GUDWKLJYUSWSFA-CQSZACIVSA-N 1 2 247.317 2.658 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)cs1 ZINC000295976271 386116693 /nfs/dbraw/zinc/11/66/93/386116693.db2.gz JBUWDFKATUKQSW-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@](C)(F)C2)cs1 ZINC000295976271 386116699 /nfs/dbraw/zinc/11/66/99/386116699.db2.gz JBUWDFKATUKQSW-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO CCC1(CC)CN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000338733895 386119132 /nfs/dbraw/zinc/11/91/32/386119132.db2.gz KWYHMVKNYMUQLS-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ccn(CC)n2)o1 ZINC000414205676 386060257 /nfs/dbraw/zinc/06/02/57/386060257.db2.gz HRQMYCQLPZADKC-NSHDSACASA-N 1 2 247.342 2.909 20 0 BFADLO CC[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274018136 386062292 /nfs/dbraw/zinc/06/22/92/386062292.db2.gz WYIFYBGARMOEAP-SECBINFHSA-N 1 2 231.299 2.877 20 0 BFADLO Cc1ccc(Cc2noc([C@H]3CC3(C)C)n2)c[nH+]1 ZINC000274041887 386064373 /nfs/dbraw/zinc/06/43/73/386064373.db2.gz ZMUYJHZUMGGUGY-LLVKDONJSA-N 1 2 243.310 2.877 20 0 BFADLO CCn1ccc(C[NH2+][C@@H](C)c2ccccc2F)n1 ZINC000414212795 386066898 /nfs/dbraw/zinc/06/68/98/386066898.db2.gz SRLJKTAZFVCYFS-NSHDSACASA-N 1 2 247.317 2.893 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCOC3(CCC3)C2)c1 ZINC000295667812 386068452 /nfs/dbraw/zinc/06/84/52/386068452.db2.gz JWTRZANQMAXTMF-LBPRGKRZSA-N 1 2 232.327 2.904 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnns2)s1 ZINC000295658438 386069311 /nfs/dbraw/zinc/06/93/11/386069311.db2.gz ACDDMPWWQAHYLO-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnns2)s1 ZINC000295658438 386069316 /nfs/dbraw/zinc/06/93/16/386069316.db2.gz ACDDMPWWQAHYLO-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(F)ccc(O)c1F ZINC000334441409 386071468 /nfs/dbraw/zinc/07/14/68/386071468.db2.gz ZUXXKNNBOSQWOW-OCAPTIKFSA-N 1 2 227.254 2.653 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000334441409 386071471 /nfs/dbraw/zinc/07/14/71/386071471.db2.gz ZUXXKNNBOSQWOW-OCAPTIKFSA-N 1 2 227.254 2.653 20 0 BFADLO CC(C)C[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000274184965 386082114 /nfs/dbraw/zinc/08/21/14/386082114.db2.gz PQAQAWYEBYOAKZ-LLVKDONJSA-N 1 2 245.326 2.955 20 0 BFADLO Oc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2F)c1F ZINC000334447968 386095152 /nfs/dbraw/zinc/09/51/52/386095152.db2.gz QRAPJLNQSGTMLG-ZJUUUORDSA-N 1 2 245.244 2.651 20 0 BFADLO CCCc1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000414661327 386096485 /nfs/dbraw/zinc/09/64/85/386096485.db2.gz PQAKQRMCHJOKBF-OAHLLOKOSA-N 1 2 232.371 2.562 20 0 BFADLO CCCc1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000414661327 386096492 /nfs/dbraw/zinc/09/64/92/386096492.db2.gz PQAKQRMCHJOKBF-OAHLLOKOSA-N 1 2 232.371 2.562 20 0 BFADLO Cc1cc(N[C@H]2C[C@]2(C)c2ccccc2)nc[nH+]1 ZINC000608089294 386099696 /nfs/dbraw/zinc/09/96/96/386099696.db2.gz LCOXQLNHDVIPSE-DZGCQCFKSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1nc(N2CC(c3ccccc3F)C2)cc[nH+]1 ZINC000336032756 386145055 /nfs/dbraw/zinc/14/50/55/386145055.db2.gz MELQATKMOPYQGI-UHFFFAOYSA-N 1 2 243.285 2.528 20 0 BFADLO Clc1csc(C[N@H+](C2CC2)C2COC2)c1 ZINC000296188936 386147602 /nfs/dbraw/zinc/14/76/02/386147602.db2.gz YHYMNZVZHIULGZ-UHFFFAOYSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1csc(C[N@@H+](C2CC2)C2COC2)c1 ZINC000296188936 386147606 /nfs/dbraw/zinc/14/76/06/386147606.db2.gz YHYMNZVZHIULGZ-UHFFFAOYSA-N 1 2 243.759 2.765 20 0 BFADLO CC[C@H](CCO)Nc1[nH+]ccc(C)c1Cl ZINC000336722440 386161050 /nfs/dbraw/zinc/16/10/50/386161050.db2.gz DYMYZNDGMBDGQH-SECBINFHSA-N 1 2 228.723 2.616 20 0 BFADLO CCC1(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000296296949 386161383 /nfs/dbraw/zinc/16/13/83/386161383.db2.gz MKOBKGQSQZAAIG-UHFFFAOYSA-N 1 2 203.289 2.709 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000338881843 386167132 /nfs/dbraw/zinc/16/71/32/386167132.db2.gz UWINCKOVWZFBJS-MISXGVKJSA-N 1 2 249.358 2.659 20 0 BFADLO CCC1(NC(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000296474543 386177165 /nfs/dbraw/zinc/17/71/65/386177165.db2.gz BNMLJWFFNKMQKG-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO CCC=CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000296597980 386187152 /nfs/dbraw/zinc/18/71/52/386187152.db2.gz VJVGPKJRTZGROV-UFFNRZRYSA-N 1 2 248.355 2.511 20 0 BFADLO C[C@H](F)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000338759496 386133245 /nfs/dbraw/zinc/13/32/45/386133245.db2.gz YQWCJFTUGJWQLQ-VIFPVBQESA-N 1 2 236.265 2.956 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C1CC1 ZINC000287579371 386133860 /nfs/dbraw/zinc/13/38/60/386133860.db2.gz QSEOFMFPOPNEDC-SECBINFHSA-N 1 2 233.315 2.618 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000638295610 386134363 /nfs/dbraw/zinc/13/43/63/386134363.db2.gz ZQZYGERKUNUUJN-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC(C)(C)C ZINC000287665762 386139267 /nfs/dbraw/zinc/13/92/67/386139267.db2.gz XIWFGNVUMPOPEE-UHFFFAOYSA-N 1 2 221.304 2.618 20 0 BFADLO Cc1cnc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000334470728 386143380 /nfs/dbraw/zinc/14/33/80/386143380.db2.gz IJQJQIVKMGYNDO-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc(Cc2noc([C@H]3CC34CC4)n2)c[nH+]1 ZINC000351306662 386244624 /nfs/dbraw/zinc/24/46/24/386244624.db2.gz VWXHSPUBIXPVSD-LLVKDONJSA-N 1 2 241.294 2.631 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cccnc1 ZINC000264615995 386254586 /nfs/dbraw/zinc/25/45/86/386254586.db2.gz GYOPALRDLLCJDX-JTQLQIEISA-N 1 2 240.310 2.922 20 0 BFADLO Cc1[nH+]c(-c2ccncc2)nc(NC2CC2)c1C ZINC000264915402 386283683 /nfs/dbraw/zinc/28/36/83/386283683.db2.gz GKKSGNSVGDUXLF-UHFFFAOYSA-N 1 2 240.310 2.730 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000264988467 386291655 /nfs/dbraw/zinc/29/16/55/386291655.db2.gz AYIXJJNQHIGZPP-JTQLQIEISA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000264988467 386291658 /nfs/dbraw/zinc/29/16/58/386291658.db2.gz AYIXJJNQHIGZPP-JTQLQIEISA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000265048257 386299539 /nfs/dbraw/zinc/29/95/39/386299539.db2.gz PDWUSHJEMAUKSW-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000265048257 386299542 /nfs/dbraw/zinc/29/95/42/386299542.db2.gz PDWUSHJEMAUKSW-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc(NC2CC2)[nH+]1 ZINC000645395724 386305013 /nfs/dbraw/zinc/30/50/13/386305013.db2.gz ICPACFCCEIMPJM-JBLDHEPKSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(NC2CC2)cc(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000645395724 386305018 /nfs/dbraw/zinc/30/50/18/386305018.db2.gz ICPACFCCEIMPJM-JBLDHEPKSA-N 1 2 244.342 2.651 20 0 BFADLO CCOc1ccc(C[NH2+]CC(F)F)cc1F ZINC000298194223 386305551 /nfs/dbraw/zinc/30/55/51/386305551.db2.gz XEJQDUAARJMVSM-UHFFFAOYSA-N 1 2 233.233 2.579 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC000645279151 386305989 /nfs/dbraw/zinc/30/59/89/386305989.db2.gz QQBXOFGLWJQHOC-VXGBXAGGSA-N 1 2 249.333 2.777 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000276379535 386314124 /nfs/dbraw/zinc/31/41/24/386314124.db2.gz QCRQAEKUONWARV-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000276379535 386314131 /nfs/dbraw/zinc/31/41/31/386314131.db2.gz QCRQAEKUONWARV-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCOc1nnc(C[N@H+](C)C(C)(C)CC)s1 ZINC000336671432 386319111 /nfs/dbraw/zinc/31/91/11/386319111.db2.gz JRBLFRNFMGTCIG-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO CCOc1nnc(C[N@@H+](C)C(C)(C)CC)s1 ZINC000336671432 386319114 /nfs/dbraw/zinc/31/91/14/386319114.db2.gz JRBLFRNFMGTCIG-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO CCC1(C)C[NH+](Cc2ncc(C)s2)C1 ZINC000297524235 386262014 /nfs/dbraw/zinc/26/20/14/386262014.db2.gz YMIGNNCGICRRIB-UHFFFAOYSA-N 1 2 210.346 2.683 20 0 BFADLO c1cc2c(o1)CCCN(c1cccc[nH+]1)C2 ZINC000289147088 386265205 /nfs/dbraw/zinc/26/52/05/386265205.db2.gz SQKIBKWZHLFZCP-UHFFFAOYSA-N 1 2 214.268 2.627 20 0 BFADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000289254364 386277194 /nfs/dbraw/zinc/27/71/94/386277194.db2.gz FHXRDEVQGRWGGZ-JTQLQIEISA-N 1 2 247.310 2.604 20 0 BFADLO FC(F)C[C@H]1COCC[N@H+]1Cc1ccsc1 ZINC000289254364 386277196 /nfs/dbraw/zinc/27/71/96/386277196.db2.gz FHXRDEVQGRWGGZ-JTQLQIEISA-N 1 2 247.310 2.604 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccon1 ZINC000265450216 386339870 /nfs/dbraw/zinc/33/98/70/386339870.db2.gz CSCAMMJBKHIQQL-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccon1 ZINC000265450216 386339874 /nfs/dbraw/zinc/33/98/74/386339874.db2.gz CSCAMMJBKHIQQL-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO CC/C=C(\C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276570912 386345951 /nfs/dbraw/zinc/34/59/51/386345951.db2.gz LDRPUDBXYXGSBN-RUYJGKKWSA-N 1 2 235.331 2.579 20 0 BFADLO CCC=C(C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276570912 386345957 /nfs/dbraw/zinc/34/59/57/386345957.db2.gz LDRPUDBXYXGSBN-RUYJGKKWSA-N 1 2 235.331 2.579 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc(C)cn2)s1 ZINC000336688345 386351874 /nfs/dbraw/zinc/35/18/74/386351874.db2.gz HBNSVNJTQOXYML-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc(C)cn2)s1 ZINC000336688345 386351877 /nfs/dbraw/zinc/35/18/77/386351877.db2.gz HBNSVNJTQOXYML-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647933462 386361797 /nfs/dbraw/zinc/36/17/97/386361797.db2.gz OROWCALAQUGLBP-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCc2nc[nH]c2C1 ZINC000647933462 386361799 /nfs/dbraw/zinc/36/17/99/386361799.db2.gz OROWCALAQUGLBP-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO CCCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276671630 386361810 /nfs/dbraw/zinc/36/18/10/386361810.db2.gz NSYYRZPXHIVBKJ-WSKFYRRCSA-N 1 2 235.331 2.508 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2ccon2)c1 ZINC000265767153 386367765 /nfs/dbraw/zinc/36/77/65/386367765.db2.gz IALWBGGTKOVKIE-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2ccon2)c1 ZINC000265767153 386367770 /nfs/dbraw/zinc/36/77/70/386367770.db2.gz IALWBGGTKOVKIE-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccoc1C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000289898726 386367828 /nfs/dbraw/zinc/36/78/28/386367828.db2.gz UELYSHUDXMCNLA-LLVKDONJSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000289898726 386367835 /nfs/dbraw/zinc/36/78/35/386367835.db2.gz UELYSHUDXMCNLA-LLVKDONJSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@@H](C[NH+]=c1[nH]c2ccc(F)cc2n1C)C1CC1 ZINC000644860528 386368777 /nfs/dbraw/zinc/36/87/77/386368777.db2.gz KQVCGQOYHCCKJO-VIFPVBQESA-N 1 2 247.317 2.592 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1noc(-c2ccccc2)n1 ZINC000334495413 386375490 /nfs/dbraw/zinc/37/54/90/386375490.db2.gz JQEFCYJKMDSQPC-GHMZBOCLSA-N 1 2 243.310 2.719 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2)sc1C ZINC000336696882 386378705 /nfs/dbraw/zinc/37/87/05/386378705.db2.gz HOHKRYCJXQGGNM-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2)sc1C ZINC000336696882 386378714 /nfs/dbraw/zinc/37/87/14/386378714.db2.gz HOHKRYCJXQGGNM-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CCC[C@@](C)(O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265387438 386333949 /nfs/dbraw/zinc/33/39/49/386333949.db2.gz SPTBAUJLJDGORK-CQSZACIVSA-N 1 2 249.358 2.625 20 0 BFADLO Clc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000265416720 386335992 /nfs/dbraw/zinc/33/59/92/386335992.db2.gz HBBIREILYUUNJT-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1cccc(C[N@H+]2CCc3n[nH]cc3C2)c1 ZINC000265416720 386335996 /nfs/dbraw/zinc/33/59/96/386335996.db2.gz HBBIREILYUUNJT-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccco2)C(C)C)o1 ZINC000266511641 386443416 /nfs/dbraw/zinc/44/34/16/386443416.db2.gz DQNODXFAVCYGBQ-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccco2)C(C)C)o1 ZINC000266511641 386443425 /nfs/dbraw/zinc/44/34/25/386443425.db2.gz DQNODXFAVCYGBQ-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1c[nH+]cc(NCc2cnc([C@@H](C)O)s2)c1 ZINC000290539037 386450380 /nfs/dbraw/zinc/45/03/80/386450380.db2.gz YOIZRONPNNTSJY-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO CCc1nc(C[N@@H+]2CCCC3(CCCC3)C2)no1 ZINC000334496158 386389605 /nfs/dbraw/zinc/38/96/05/386389605.db2.gz CXIMWXCMVFZNAC-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCc1nc(C[N@H+]2CCCC3(CCCC3)C2)no1 ZINC000334496158 386389610 /nfs/dbraw/zinc/38/96/10/386389610.db2.gz CXIMWXCMVFZNAC-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCO[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000336775895 386390847 /nfs/dbraw/zinc/39/08/47/386390847.db2.gz DBBRDVZJJIKVHW-IUCAKERBSA-N 1 2 233.302 2.577 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccccc2C)n1 ZINC000298860726 386392662 /nfs/dbraw/zinc/39/26/62/386392662.db2.gz RDOHEHMGMVQULQ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccccc2C)n1 ZINC000298860726 386392665 /nfs/dbraw/zinc/39/26/65/386392665.db2.gz RDOHEHMGMVQULQ-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2C)o1 ZINC000298987726 386402259 /nfs/dbraw/zinc/40/22/59/386402259.db2.gz KBFDZRWNMOSUEA-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2C)o1 ZINC000298987726 386402262 /nfs/dbraw/zinc/40/22/62/386402262.db2.gz KBFDZRWNMOSUEA-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cc[nH+]cc1CCCNc1ccc(F)nc1 ZINC000290196928 386406585 /nfs/dbraw/zinc/40/65/85/386406585.db2.gz CRUJKQSCGGTHDF-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO CO[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000266249153 386417725 /nfs/dbraw/zinc/41/77/25/386417725.db2.gz MRDKDYJTWLRGCJ-VXGBXAGGSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCS[C@H]2C)[nH+]1 ZINC000645401863 386426235 /nfs/dbraw/zinc/42/62/35/386426235.db2.gz MUJSUWKVVKAIST-OIBJUYFYSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000290366283 386426272 /nfs/dbraw/zinc/42/62/72/386426272.db2.gz HHGVPDJGBYLMHG-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000290366283 386426277 /nfs/dbraw/zinc/42/62/77/386426277.db2.gz HHGVPDJGBYLMHG-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000290366283 386426278 /nfs/dbraw/zinc/42/62/78/386426278.db2.gz HHGVPDJGBYLMHG-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000290366283 386426282 /nfs/dbraw/zinc/42/62/82/386426282.db2.gz HHGVPDJGBYLMHG-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO C[C@H]1CCC[C@@H](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000347520559 386429507 /nfs/dbraw/zinc/42/95/07/386429507.db2.gz UFWGCFPCRUDOAW-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000336712963 386430981 /nfs/dbraw/zinc/43/09/81/386430981.db2.gz SCHHCCNITKOCMM-CYBMUJFWSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000336712963 386430989 /nfs/dbraw/zinc/43/09/89/386430989.db2.gz SCHHCCNITKOCMM-CYBMUJFWSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000290449624 386436220 /nfs/dbraw/zinc/43/62/20/386436220.db2.gz OLFMCRNIENBMHZ-IUODEOHRSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000290449624 386436225 /nfs/dbraw/zinc/43/62/25/386436225.db2.gz OLFMCRNIENBMHZ-IUODEOHRSA-N 1 2 241.338 2.911 20 0 BFADLO CC[C@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000134965043 386476040 /nfs/dbraw/zinc/47/60/40/386476040.db2.gz CLFVHCRYGJWIHD-GFCCVEGCSA-N 1 2 230.311 2.808 20 0 BFADLO COC(C)(C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000135262518 386499498 /nfs/dbraw/zinc/49/94/98/386499498.db2.gz KFJQHLZBZLMHGJ-UHFFFAOYSA-N 1 2 237.347 2.745 20 0 BFADLO Cc1nc(N[C@@H](C)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000335441193 386501556 /nfs/dbraw/zinc/50/15/56/386501556.db2.gz ODNGILIXHNSVKP-QMMMGPOBSA-N 1 2 249.264 2.658 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(F)c2)nc1 ZINC000340660535 386505324 /nfs/dbraw/zinc/50/53/24/386505324.db2.gz UIRBPOQIJGOHHO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(F)c2)nc1 ZINC000340660535 386505327 /nfs/dbraw/zinc/50/53/27/386505327.db2.gz UIRBPOQIJGOHHO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nonc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000267327191 386527849 /nfs/dbraw/zinc/52/78/49/386527849.db2.gz INZQUVUWVYCWQU-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nonc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000267327191 386527854 /nfs/dbraw/zinc/52/78/54/386527854.db2.gz INZQUVUWVYCWQU-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1ncsc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335414669 386580115 /nfs/dbraw/zinc/58/01/15/386580115.db2.gz KFKNFCMGQXKCBG-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO CCC1(C)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000291283026 386533708 /nfs/dbraw/zinc/53/37/08/386533708.db2.gz IUWIMYYYMMNRFX-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO CO[C@@H](CNc1cc[nH+]c2ccncc12)C(C)C ZINC000267910481 386597335 /nfs/dbraw/zinc/59/73/35/386597335.db2.gz AJYCTSTWKNSHBH-AWEZNQCLSA-N 1 2 245.326 2.713 20 0 BFADLO CC[C@@H](CCO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000135817293 386550335 /nfs/dbraw/zinc/55/03/35/386550335.db2.gz YGFIZRDQZLQSGM-VIFPVBQESA-N 1 2 248.248 2.673 20 0 BFADLO Cc1ccc(C)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC000291533707 386556468 /nfs/dbraw/zinc/55/64/68/386556468.db2.gz KNLIRKGABJTYST-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C)c(C[N@H+]2CCn3cncc3C2)c1 ZINC000291533707 386556472 /nfs/dbraw/zinc/55/64/72/386556472.db2.gz KNLIRKGABJTYST-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000291533707 386556479 /nfs/dbraw/zinc/55/64/79/386556479.db2.gz KNLIRKGABJTYST-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Fc1ccc2cc(C[N@H+]3CC[C@@H](F)C3)[nH]c2c1 ZINC000335408204 386568890 /nfs/dbraw/zinc/56/88/90/386568890.db2.gz YBBWGQFFAJKPSW-LLVKDONJSA-N 1 2 236.265 2.851 20 0 BFADLO Fc1ccc2cc(C[N@@H+]3CC[C@@H](F)C3)[nH]c2c1 ZINC000335408204 386568894 /nfs/dbraw/zinc/56/88/94/386568894.db2.gz YBBWGQFFAJKPSW-LLVKDONJSA-N 1 2 236.265 2.851 20 0 BFADLO CCC[C@@H]([NH2+]CCc1ccccc1)C(=O)OCC ZINC000097987921 386572211 /nfs/dbraw/zinc/57/22/11/386572211.db2.gz YHTQMMCLZVMYNA-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]c2ccccc2n1C ZINC000179220017 386620128 /nfs/dbraw/zinc/62/01/28/386620128.db2.gz NCRBKTXAPXMMET-GHMZBOCLSA-N 1 2 229.327 2.951 20 0 BFADLO CC/C=C/CC[N@H+](C)Cc1nncn1C(C)C ZINC000292123769 386624568 /nfs/dbraw/zinc/62/45/68/386624568.db2.gz ASELCQMRQAAHKQ-VOTSOKGWSA-N 1 2 236.363 2.647 20 0 BFADLO CC/C=C/CC[N@@H+](C)Cc1nncn1C(C)C ZINC000292123769 386624577 /nfs/dbraw/zinc/62/45/77/386624577.db2.gz ASELCQMRQAAHKQ-VOTSOKGWSA-N 1 2 236.363 2.647 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000335501701 386630919 /nfs/dbraw/zinc/63/09/19/386630919.db2.gz WIBFZEPRMGRSPF-CMPLNLGQSA-N 1 2 232.327 2.577 20 0 BFADLO FC1(F)CC[N@H+](CCCCC2CCOCC2)C1 ZINC000337178781 386635772 /nfs/dbraw/zinc/63/57/72/386635772.db2.gz KQOHKJCHKGTTHX-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO FC1(F)CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000337178781 386635781 /nfs/dbraw/zinc/63/57/81/386635781.db2.gz KQOHKJCHKGTTHX-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO Cc1ccoc1CN(C)c1cccc[nH+]1 ZINC000292216827 386636233 /nfs/dbraw/zinc/63/62/33/386636233.db2.gz HTCUINOUKOAATJ-UHFFFAOYSA-N 1 2 202.257 2.619 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)C1CCCC1 ZINC000339797015 386643443 /nfs/dbraw/zinc/64/34/43/386643443.db2.gz TXJSCFKYMYZNNX-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CCCc1nc(C)c(CNc2cc[nH+]c(C)n2)o1 ZINC000292331706 386651140 /nfs/dbraw/zinc/65/11/40/386651140.db2.gz PJDRCVNWWBPWPP-UHFFFAOYSA-N 1 2 246.314 2.646 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1C[C@@H]1C ZINC000335515586 386652311 /nfs/dbraw/zinc/65/23/11/386652311.db2.gz OOJXCDSODVUOAL-GXSJLCMTSA-N 1 2 218.300 2.683 20 0 BFADLO CC(C)n1nccc1C[N@H+](C)CCC(F)(F)F ZINC000337127589 386615414 /nfs/dbraw/zinc/61/54/14/386615414.db2.gz GXCNNLNWAGJEGO-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CC(C)n1nccc1C[N@@H+](C)CCC(F)(F)F ZINC000337127589 386615419 /nfs/dbraw/zinc/61/54/19/386615419.db2.gz GXCNNLNWAGJEGO-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CC(C)([NH2+]Cc1ccno1)c1ccccc1F ZINC000292069067 386616460 /nfs/dbraw/zinc/61/64/60/386616460.db2.gz DHDVSBRMTZAQDY-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO CC[C@H]1CC[C@@H](C(=O)Nc2ccc(C)[nH+]c2C)O1 ZINC000268069171 386617190 /nfs/dbraw/zinc/61/71/90/386617190.db2.gz DHMFBJRFBXPWRI-AAEUAGOBSA-N 1 2 248.326 2.595 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)c1ccc2ccccc2n1 ZINC000428126058 386665823 /nfs/dbraw/zinc/66/58/23/386665823.db2.gz RUUXRRVCHMFNLH-UHFFFAOYSA-N 1 2 238.294 2.594 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000050499403 386675567 /nfs/dbraw/zinc/67/55/67/386675567.db2.gz PALKZHFWSIRXLN-WCQYABFASA-N 1 2 235.327 2.535 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C1CC1 ZINC000335529811 386678531 /nfs/dbraw/zinc/67/85/31/386678531.db2.gz SPXXWZCARUYRCQ-VIFPVBQESA-N 1 2 218.300 2.683 20 0 BFADLO CS[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000294495214 386680316 /nfs/dbraw/zinc/68/03/16/386680316.db2.gz YXDMUQGDORIVLC-MRVPVSSYSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294495214 386680325 /nfs/dbraw/zinc/68/03/25/386680325.db2.gz YXDMUQGDORIVLC-MRVPVSSYSA-N 1 2 248.804 2.734 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC1(C)C ZINC000425584031 386657560 /nfs/dbraw/zinc/65/75/60/386657560.db2.gz CDTNESTZAUQPER-JTQLQIEISA-N 1 2 218.300 2.683 20 0 BFADLO c1ccc2c(c1)CCN2CCOc1cc[nH+]cc1 ZINC000292527133 386684546 /nfs/dbraw/zinc/68/45/46/386684546.db2.gz VMNFMMBSTPLOBY-UHFFFAOYSA-N 1 2 240.306 2.523 20 0 BFADLO COc1ccc2[nH+]c(NCC[C@H](C)F)ccc2c1 ZINC000645048803 386690138 /nfs/dbraw/zinc/69/01/38/386690138.db2.gz JBOQVOSLVVVVMF-JTQLQIEISA-N 1 2 248.301 2.825 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2)co1 ZINC000647956939 386697469 /nfs/dbraw/zinc/69/74/69/386697469.db2.gz UHAYWZJOEVNZNA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2)co1 ZINC000647956939 386697477 /nfs/dbraw/zinc/69/74/77/386697477.db2.gz UHAYWZJOEVNZNA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CCOc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000337283314 386700942 /nfs/dbraw/zinc/70/09/42/386700942.db2.gz KISBLBZASCKNQS-UHFFFAOYSA-N 1 2 241.281 2.973 20 0 BFADLO CC(C)CCCNc1cc[nH+]c2ccncc12 ZINC000357189971 386734498 /nfs/dbraw/zinc/73/44/98/386734498.db2.gz MKLKCLFMOALIMA-UHFFFAOYSA-N 1 2 229.327 2.900 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cocn1 ZINC000191945776 386720964 /nfs/dbraw/zinc/72/09/64/386720964.db2.gz BKBSHVXKZIYBIT-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cocn1 ZINC000191945776 386720973 /nfs/dbraw/zinc/72/09/73/386720973.db2.gz BKBSHVXKZIYBIT-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO CCn1c[nH+]cc1CN(C)c1cccc(C)c1 ZINC000417974328 386729523 /nfs/dbraw/zinc/72/95/23/386729523.db2.gz DEMOKOLCMGUQQA-UHFFFAOYSA-N 1 2 229.327 2.848 20 0 BFADLO Cc1csc([C@H]([NH2+]Cc2cocn2)C2CC2)n1 ZINC000192318805 386762750 /nfs/dbraw/zinc/76/27/50/386762750.db2.gz HIGYCUQOEWYUOR-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000293080252 386773202 /nfs/dbraw/zinc/77/32/02/386773202.db2.gz OTIYLQNRENGGJR-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000293080252 386773208 /nfs/dbraw/zinc/77/32/08/386773208.db2.gz OTIYLQNRENGGJR-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO CCOc1cc(NCc2c[nH+]cn2C)ccc1C ZINC000269321342 386780647 /nfs/dbraw/zinc/78/06/47/386780647.db2.gz PKQPPLLCHMGCST-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO CSCC[C@H](C)N(C)c1cccc[nH+]1 ZINC000269352837 386781730 /nfs/dbraw/zinc/78/17/30/386781730.db2.gz NIIPHAULXVYNSI-JTQLQIEISA-N 1 2 210.346 2.659 20 0 BFADLO CC(C)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293196131 386788593 /nfs/dbraw/zinc/78/85/93/386788593.db2.gz QMFTZACETWGURI-UHFFFAOYSA-N 1 2 241.338 2.844 20 0 BFADLO CC(C)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293196131 386788600 /nfs/dbraw/zinc/78/86/00/386788600.db2.gz QMFTZACETWGURI-UHFFFAOYSA-N 1 2 241.338 2.844 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)cc1 ZINC000280535170 386822232 /nfs/dbraw/zinc/82/22/32/386822232.db2.gz SGYIKEFYYZACDB-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)cc1 ZINC000280535170 386822241 /nfs/dbraw/zinc/82/22/41/386822241.db2.gz SGYIKEFYYZACDB-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)cc1 ZINC000280535170 386822248 /nfs/dbraw/zinc/82/22/48/386822248.db2.gz SGYIKEFYYZACDB-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)cc1 ZINC000280535170 386822255 /nfs/dbraw/zinc/82/22/55/386822255.db2.gz SGYIKEFYYZACDB-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Cc1cccc([C@H](C)N2CCn3c[nH+]cc3C2)c1 ZINC000647939230 386822454 /nfs/dbraw/zinc/82/24/54/386822454.db2.gz GUPNBFPHIGAUIV-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO CO[C@@]1(C)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000280579741 386824954 /nfs/dbraw/zinc/82/49/54/386824954.db2.gz WCBVBOLSEWFXOC-AWEZNQCLSA-N 1 2 245.326 2.568 20 0 BFADLO CCN(C[C@@H]1CCCO1)c1cc[nH+]c(C(C)C)n1 ZINC000301178594 386823523 /nfs/dbraw/zinc/82/35/23/386823523.db2.gz GYGADRXEEPLQGT-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000293437041 386814595 /nfs/dbraw/zinc/81/45/95/386814595.db2.gz BRMYNURKSZKACF-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1F ZINC000293437041 386814602 /nfs/dbraw/zinc/81/46/02/386814602.db2.gz BRMYNURKSZKACF-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO Cc1cc(N(C)Cc2ccc(F)c(F)c2)nc[nH+]1 ZINC000301254774 386827938 /nfs/dbraw/zinc/82/79/38/386827938.db2.gz QSNBENLESHIALT-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC(C)=C(C)C2)no1 ZINC000280696835 386837419 /nfs/dbraw/zinc/83/74/19/386837419.db2.gz ICMCQLJMZZHIMY-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO CCCc1nc(C[N@H+]2CCC(C)=C(C)C2)no1 ZINC000280696835 386837427 /nfs/dbraw/zinc/83/74/27/386837427.db2.gz ICMCQLJMZZHIMY-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO CC[C@H](c1ccncc1)N(C)c1cc(C)[nH+]cn1 ZINC000301368318 386840668 /nfs/dbraw/zinc/84/06/68/386840668.db2.gz OUROTLMHAXMUMY-CYBMUJFWSA-N 1 2 242.326 2.768 20 0 BFADLO CCO[C@@H]1C[C@@H](Nc2cc(C)[nH+]cn2)C12CCC2 ZINC000301422195 386841770 /nfs/dbraw/zinc/84/17/70/386841770.db2.gz NYKFBVAVKNROJI-VXGBXAGGSA-N 1 2 247.342 2.545 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000301410005 386842407 /nfs/dbraw/zinc/84/24/07/386842407.db2.gz XKJMAFPGIWCWOV-SNVBAGLBSA-N 1 2 245.330 2.507 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000341125691 386843874 /nfs/dbraw/zinc/84/38/74/386843874.db2.gz KXKVZOHUXHIJTL-ZJUUUORDSA-N 1 2 231.299 2.790 20 0 BFADLO CCOCC[N@H+](C)Cc1c(F)cc(C)cc1F ZINC000425342384 386846081 /nfs/dbraw/zinc/84/60/81/386846081.db2.gz HCOZYGJTNZPUCA-UHFFFAOYSA-N 1 2 243.297 2.742 20 0 BFADLO CCOCC[N@@H+](C)Cc1c(F)cc(C)cc1F ZINC000425342384 386846092 /nfs/dbraw/zinc/84/60/92/386846092.db2.gz HCOZYGJTNZPUCA-UHFFFAOYSA-N 1 2 243.297 2.742 20 0 BFADLO Cc1cc(F)c(C[N@@H+](C)C2CC2)c(F)c1 ZINC000425332395 386846339 /nfs/dbraw/zinc/84/63/39/386846339.db2.gz ZBAMGSYUZQCEKA-UHFFFAOYSA-N 1 2 211.255 2.867 20 0 BFADLO Cc1cc(F)c(C[N@H+](C)C2CC2)c(F)c1 ZINC000425332395 386846341 /nfs/dbraw/zinc/84/63/41/386846341.db2.gz ZBAMGSYUZQCEKA-UHFFFAOYSA-N 1 2 211.255 2.867 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(C)c(F)c2)n1C ZINC000341150921 386847273 /nfs/dbraw/zinc/84/72/73/386847273.db2.gz ONJFYTBECYICKJ-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccncc1 ZINC000336674661 386847894 /nfs/dbraw/zinc/84/78/94/386847894.db2.gz AGESWWHJARNEAK-MRVPVSSYSA-N 1 2 212.243 2.530 20 0 BFADLO Cc1ccnc(C[NH2+][C@H](C)c2ccccc2)n1 ZINC000341132402 386855270 /nfs/dbraw/zinc/85/52/70/386855270.db2.gz FOAOKWVOILLLSE-GFCCVEGCSA-N 1 2 227.311 2.636 20 0 BFADLO Cn1cccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334790968 386855943 /nfs/dbraw/zinc/85/59/43/386855943.db2.gz BQHYSJKSTWQADP-UHFFFAOYSA-N 1 2 230.286 2.680 20 0 BFADLO Cn1cccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334790968 386855948 /nfs/dbraw/zinc/85/59/48/386855948.db2.gz BQHYSJKSTWQADP-UHFFFAOYSA-N 1 2 230.286 2.680 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCOC[C@H]1C ZINC000293663505 386857396 /nfs/dbraw/zinc/85/73/96/386857396.db2.gz YVHMCXQRINRMDA-GFCCVEGCSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCOC[C@H]1C ZINC000293663505 386857398 /nfs/dbraw/zinc/85/73/98/386857398.db2.gz YVHMCXQRINRMDA-GFCCVEGCSA-N 1 2 248.370 2.734 20 0 BFADLO Cn1cc[nH+]c1CN1Cc2ccc(Cl)cc2C1 ZINC000334793028 386860742 /nfs/dbraw/zinc/86/07/42/386860742.db2.gz QJCIQFCSSORERP-UHFFFAOYSA-N 1 2 247.729 2.589 20 0 BFADLO COc1cc(C)ccc1CNc1cc(C)[nH+]cn1 ZINC000301616515 386861904 /nfs/dbraw/zinc/86/19/04/386861904.db2.gz JTHLSQVOABMUBR-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC[C@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301637564 386864092 /nfs/dbraw/zinc/86/40/92/386864092.db2.gz AJUAVADAKRMFRJ-LBPRGKRZSA-N 1 2 219.332 2.638 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)no1 ZINC000425349193 386865586 /nfs/dbraw/zinc/86/55/86/386865586.db2.gz GEXXTPBNTKABJO-KGLIPLIRSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1c[nH+]c(CNc2cc(F)ccc2F)n1C ZINC000341269358 386872444 /nfs/dbraw/zinc/87/24/44/386872444.db2.gz AILAKYQKQXYKIH-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO Cc1cc(N[C@@H]2CCCC[C@H]2O)nc(C(C)C)[nH+]1 ZINC000052006730 386873178 /nfs/dbraw/zinc/87/31/78/386873178.db2.gz VYWKTZAMPGOYJW-VXGBXAGGSA-N 1 2 249.358 2.624 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1c(C)noc1C ZINC000301810018 386880098 /nfs/dbraw/zinc/88/00/98/386880098.db2.gz DDPYRWQMJYBUMB-NSHDSACASA-N 1 2 246.314 2.953 20 0 BFADLO CC[C@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301822527 386882196 /nfs/dbraw/zinc/88/21/96/386882196.db2.gz KQIRASVHBAJYHD-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301822527 386882201 /nfs/dbraw/zinc/88/22/01/386882201.db2.gz KQIRASVHBAJYHD-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CC1(C)CC(C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000334846248 386895064 /nfs/dbraw/zinc/89/50/64/386895064.db2.gz NWZJAECMDCAUNF-UHFFFAOYSA-N 1 2 247.342 2.594 20 0 BFADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000301900410 386889141 /nfs/dbraw/zinc/88/91/41/386889141.db2.gz ZCFSYZYGNLBJEB-QWRGUYRKSA-N 1 2 245.326 2.567 20 0 BFADLO Cc1cc(NCCCC(C)C)nc(C2CC2)[nH+]1 ZINC000341474999 386916426 /nfs/dbraw/zinc/91/64/26/386916426.db2.gz FEKFIFHAMBPKHL-UHFFFAOYSA-N 1 2 233.359 2.932 20 0 BFADLO CC(=O)c1ccc(CNc2cccc[nH+]2)nc1C ZINC000302072989 386901570 /nfs/dbraw/zinc/90/15/70/386901570.db2.gz WLFNSNZOBZMYST-UHFFFAOYSA-N 1 2 241.294 2.600 20 0 BFADLO CCc1cc(N2[C@@H](C)CC[C@@H]2C)nc(C)[nH+]1 ZINC000302098621 386903671 /nfs/dbraw/zinc/90/36/71/386903671.db2.gz PAKGZPZGNPFKJI-UWVGGRQHSA-N 1 2 219.332 2.725 20 0 BFADLO Cc1cc(N(C)Cc2ccoc2)nc(C2CC2)[nH+]1 ZINC000341522199 386920914 /nfs/dbraw/zinc/92/09/14/386920914.db2.gz VDDYAPNVIYGUPL-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO c1cc2c(cc1NC[C@H]1CCCOC1)CCC[NH2+]2 ZINC000334865482 386921426 /nfs/dbraw/zinc/92/14/26/386921426.db2.gz UNAFHXPNDLOCJI-GFCCVEGCSA-N 1 2 246.354 2.883 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302617321 386926934 /nfs/dbraw/zinc/92/69/34/386926934.db2.gz DGULAUVXIJOJCX-WDEREUQCSA-N 1 2 237.347 2.744 20 0 BFADLO Cn1c[nH+]cc1CSc1ncccc1Cl ZINC000335833986 386934875 /nfs/dbraw/zinc/93/48/75/386934875.db2.gz VDWZUDLBHSTMHS-UHFFFAOYSA-N 1 2 239.731 2.761 20 0 BFADLO CCn1ccc(CN(C)c2cccc[nH+]2)c1 ZINC000302737947 386935031 /nfs/dbraw/zinc/93/50/31/386935031.db2.gz XSBMQKGASXCZBZ-UHFFFAOYSA-N 1 2 215.300 2.539 20 0 BFADLO CC(C)[C@H](CNc1cccc[nH+]1)c1ccnn1C ZINC000302777083 386937134 /nfs/dbraw/zinc/93/71/34/386937134.db2.gz PEQQYQYOWBVUCQ-LBPRGKRZSA-N 1 2 244.342 2.667 20 0 BFADLO CC(C)CCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000330990348 386939906 /nfs/dbraw/zinc/93/99/06/386939906.db2.gz HEGFMPNOXZEOPU-GFCCVEGCSA-N 1 2 237.347 2.659 20 0 BFADLO FC1(F)CCC[C@H]1COc1cc[nH+]cc1 ZINC000334956497 387035817 /nfs/dbraw/zinc/03/58/17/387035817.db2.gz OKGXPUPQVOTMIC-VIFPVBQESA-N 1 2 213.227 2.896 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@H]1C ZINC000334957630 387037244 /nfs/dbraw/zinc/03/72/44/387037244.db2.gz ZFCWOCLXDROQAF-LDYMZIIASA-N 1 2 233.315 2.618 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CC=CCC1 ZINC000336223581 387063121 /nfs/dbraw/zinc/06/31/21/387063121.db2.gz KWGKJKBLZWMNEA-OAHLLOKOSA-N 1 2 244.338 2.751 20 0 BFADLO C[C@@]1(CNc2cccc[nH+]2)CCO[C@H]1C1CC1 ZINC000368765473 387009871 /nfs/dbraw/zinc/00/98/71/387009871.db2.gz PBOFBPQMOCIKJF-KBPBESRZSA-N 1 2 232.327 2.699 20 0 BFADLO c1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)no1 ZINC000186216846 387083410 /nfs/dbraw/zinc/08/34/10/387083410.db2.gz BKTWBOZURHXCLP-UHFFFAOYSA-N 1 2 240.306 2.722 20 0 BFADLO c1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)no1 ZINC000186216846 387083415 /nfs/dbraw/zinc/08/34/15/387083415.db2.gz BKTWBOZURHXCLP-UHFFFAOYSA-N 1 2 240.306 2.722 20 0 BFADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1noc(C2CC2)n1 ZINC000066531798 387087536 /nfs/dbraw/zinc/08/75/36/387087536.db2.gz ZFOMMSGMHVONTN-UWVGGRQHSA-N 1 2 235.331 2.710 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1cccc(F)c1F ZINC000119019191 387089942 /nfs/dbraw/zinc/08/99/42/387089942.db2.gz AGGUFBQPCWHKOG-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1cccc(F)c1F ZINC000119019191 387089948 /nfs/dbraw/zinc/08/99/48/387089948.db2.gz AGGUFBQPCWHKOG-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119036184 387092150 /nfs/dbraw/zinc/09/21/50/387092150.db2.gz NUHHWQBWRWMGPF-SMDDNHRTSA-N 1 2 247.338 2.679 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@H]2C)s1 ZINC000336266680 387098855 /nfs/dbraw/zinc/09/88/55/387098855.db2.gz BSIQSRXGFCNLFR-DTWKUNHWSA-N 1 2 225.361 2.502 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@H]2C)s1 ZINC000336266680 387098859 /nfs/dbraw/zinc/09/88/59/387098859.db2.gz BSIQSRXGFCNLFR-DTWKUNHWSA-N 1 2 225.361 2.502 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000336266679 387100095 /nfs/dbraw/zinc/10/00/95/387100095.db2.gz BSIQSRXGFCNLFR-BDAKNGLRSA-N 1 2 225.361 2.502 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000336266679 387100098 /nfs/dbraw/zinc/10/00/98/387100098.db2.gz BSIQSRXGFCNLFR-BDAKNGLRSA-N 1 2 225.361 2.502 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C(C)(C)C)n1 ZINC000335006557 387101552 /nfs/dbraw/zinc/10/15/52/387101552.db2.gz HRWUOKMZQPBSHR-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccnc2)o1 ZINC000228568709 387103000 /nfs/dbraw/zinc/10/30/00/387103000.db2.gz JBXZPVZJODNCAE-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000336270092 387105086 /nfs/dbraw/zinc/10/50/86/387105086.db2.gz JQCTWWXLIAHQQQ-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000336270092 387105092 /nfs/dbraw/zinc/10/50/92/387105092.db2.gz JQCTWWXLIAHQQQ-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CSCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000353093531 387114602 /nfs/dbraw/zinc/11/46/02/387114602.db2.gz UFDQJVRYHOZHKT-UHFFFAOYSA-N 1 2 248.351 2.827 20 0 BFADLO Cc1cc(NCC2CCOCC2)nc(C(C)C)[nH+]1 ZINC000070160931 387118918 /nfs/dbraw/zinc/11/89/18/387118918.db2.gz UEUUYZVZTOOEGF-UHFFFAOYSA-N 1 2 249.358 2.747 20 0 BFADLO COc1cc(C)ccc1C[NH2+]Cc1ncc(C)o1 ZINC000648535162 387130248 /nfs/dbraw/zinc/13/02/48/387130248.db2.gz QVVUQLSWXATCDB-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000359925454 387192438 /nfs/dbraw/zinc/19/24/38/387192438.db2.gz MPNNPYIMPAIBSL-MNOVXSKESA-N 1 2 235.331 2.509 20 0 BFADLO C[C@H]([NH2+]Cc1ccncc1)c1c(F)cncc1F ZINC000353143009 387144614 /nfs/dbraw/zinc/14/46/14/387144614.db2.gz SDSPCBWXWDKIKC-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CC(C)[C@H]1C[N@H+](Cc2ccc(Cl)o2)CCO1 ZINC000353164222 387147941 /nfs/dbraw/zinc/14/79/41/387147941.db2.gz PQFSPLROLFRTBN-LLVKDONJSA-N 1 2 243.734 2.790 20 0 BFADLO CC(C)[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CCO1 ZINC000353164222 387147946 /nfs/dbraw/zinc/14/79/46/387147946.db2.gz PQFSPLROLFRTBN-LLVKDONJSA-N 1 2 243.734 2.790 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccn(C)n1 ZINC000336322112 387149424 /nfs/dbraw/zinc/14/94/24/387149424.db2.gz YQPAYKCRZHKBKJ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccn(C)n1 ZINC000336322112 387149428 /nfs/dbraw/zinc/14/94/28/387149428.db2.gz YQPAYKCRZHKBKJ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@H]2C)no1 ZINC000336338577 387162811 /nfs/dbraw/zinc/16/28/11/387162811.db2.gz NAIFDIOGSBAOBV-LLVKDONJSA-N 1 2 237.347 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCCC[C@H]2C)no1 ZINC000336338577 387162814 /nfs/dbraw/zinc/16/28/14/387162814.db2.gz NAIFDIOGSBAOBV-LLVKDONJSA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C(F)(F)F ZINC000648539942 387173486 /nfs/dbraw/zinc/17/34/86/387173486.db2.gz NKUDWBARYXJPNV-GUBZILKMSA-N 1 2 239.281 2.875 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2ncsc2c1 ZINC000229721917 387193743 /nfs/dbraw/zinc/19/37/43/387193743.db2.gz NUBJRLJCXZBBIH-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000336351308 387181525 /nfs/dbraw/zinc/18/15/25/387181525.db2.gz ZBJXHKORSDWVKP-LBPRGKRZSA-N 1 2 221.348 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC(C)(C)[C@@H]1C(C)C ZINC000336351308 387181529 /nfs/dbraw/zinc/18/15/29/387181529.db2.gz ZBJXHKORSDWVKP-LBPRGKRZSA-N 1 2 221.348 2.585 20 0 BFADLO CC(C)c1nc(N(C)CCC2CC2)cc[nH+]1 ZINC000120316975 387185994 /nfs/dbraw/zinc/18/59/94/387185994.db2.gz HFORYOHAFWUYND-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO Cc1ccc(CCC[N@@H+](C)CC(F)F)cn1 ZINC000353436756 387202764 /nfs/dbraw/zinc/20/27/64/387202764.db2.gz IPJZFAFFPHCDPC-UHFFFAOYSA-N 1 2 228.286 2.520 20 0 BFADLO Cc1ccc(CCC[N@H+](C)CC(F)F)cn1 ZINC000353436756 387202769 /nfs/dbraw/zinc/20/27/69/387202769.db2.gz IPJZFAFFPHCDPC-UHFFFAOYSA-N 1 2 228.286 2.520 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3CC[C@](C)(F)C3)n2c1 ZINC000336384732 387216180 /nfs/dbraw/zinc/21/61/80/387216180.db2.gz ZQJYDAMSPFJNBB-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3CC[C@](C)(F)C3)n2c1 ZINC000336384732 387216183 /nfs/dbraw/zinc/21/61/83/387216183.db2.gz ZQJYDAMSPFJNBB-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CC[C@](C)(F)C3)n2c1 ZINC000336384732 387216187 /nfs/dbraw/zinc/21/61/87/387216187.db2.gz ZQJYDAMSPFJNBB-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353540775 387225211 /nfs/dbraw/zinc/22/52/11/387225211.db2.gz FVBINLQCMMIBQV-MNOVXSKESA-N 1 2 241.310 2.653 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353540775 387225217 /nfs/dbraw/zinc/22/52/17/387225217.db2.gz FVBINLQCMMIBQV-MNOVXSKESA-N 1 2 241.310 2.653 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1coc2ccccc12 ZINC000353542836 387225688 /nfs/dbraw/zinc/22/56/88/387225688.db2.gz MIQKNLHOBBYSFS-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1coc2ccccc12 ZINC000353542836 387225692 /nfs/dbraw/zinc/22/56/92/387225692.db2.gz MIQKNLHOBBYSFS-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](C/C=C/c1ccccc1)Cc1cc[nH]n1 ZINC000353566211 387230684 /nfs/dbraw/zinc/23/06/84/387230684.db2.gz FDUZHVOWEMSGDA-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO C[N@@H+](C/C=C/c1ccccc1)Cc1cc[nH]n1 ZINC000353566211 387230686 /nfs/dbraw/zinc/23/06/86/387230686.db2.gz FDUZHVOWEMSGDA-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO Cc1cc(C)c(NC(=O)C(C)C)c(C)[nH+]1 ZINC000097213702 387240383 /nfs/dbraw/zinc/24/03/83/387240383.db2.gz WBJYVJFAWMUUOU-UHFFFAOYSA-N 1 2 206.289 2.601 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000371770694 387249482 /nfs/dbraw/zinc/24/94/82/387249482.db2.gz XEDBVMSUABGJFZ-VIFPVBQESA-N 1 2 247.264 2.542 20 0 BFADLO FC(F)(F)CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000371770694 387249484 /nfs/dbraw/zinc/24/94/84/387249484.db2.gz XEDBVMSUABGJFZ-VIFPVBQESA-N 1 2 247.264 2.542 20 0 BFADLO CC(C)[C@H]1CC[C@@H](C)C[C@H]1NCC(F)(F)C[NH3+] ZINC000423348207 387198483 /nfs/dbraw/zinc/19/84/83/387198483.db2.gz SHSNQFAYDCKOHR-IJLUTSLNSA-N 1 2 248.361 2.631 20 0 BFADLO Cc1ccnc([C@H](C)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000353685414 387258088 /nfs/dbraw/zinc/25/80/88/387258088.db2.gz VMJDCWDPQCSPQI-MJBXVCDLSA-N 1 2 247.386 2.523 20 0 BFADLO Cc1ccnc([C@H](C)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000353685414 387258090 /nfs/dbraw/zinc/25/80/90/387258090.db2.gz VMJDCWDPQCSPQI-MJBXVCDLSA-N 1 2 247.386 2.523 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705102 387260762 /nfs/dbraw/zinc/26/07/62/387260762.db2.gz BCHDAVGOEJYFTJ-NRWUCQMLSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705102 387260768 /nfs/dbraw/zinc/26/07/68/387260768.db2.gz BCHDAVGOEJYFTJ-NRWUCQMLSA-N 1 2 247.338 2.766 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1ccc(F)cn1 ZINC000424728966 387261559 /nfs/dbraw/zinc/26/15/59/387261559.db2.gz XDTMKPISTCFLQT-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO COc1cc(F)cc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000312384712 387277778 /nfs/dbraw/zinc/27/77/78/387277778.db2.gz SNMHULFGZRRUJQ-QMMMGPOBSA-N 1 2 247.260 2.968 20 0 BFADLO CCC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000120870567 387278755 /nfs/dbraw/zinc/27/87/55/387278755.db2.gz SXSYRFHTQMBOPX-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CCC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000120870567 387278759 /nfs/dbraw/zinc/27/87/59/387278759.db2.gz SXSYRFHTQMBOPX-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@H+](C/C=C\c1ccccc1)Cc1ccon1 ZINC000353822944 387278990 /nfs/dbraw/zinc/27/89/90/387278990.db2.gz VGACEHRXJYXBQH-YVMONPNESA-N 1 2 228.295 2.820 20 0 BFADLO C[N@@H+](C/C=C\c1ccccc1)Cc1ccon1 ZINC000353822944 387278992 /nfs/dbraw/zinc/27/89/92/387278992.db2.gz VGACEHRXJYXBQH-YVMONPNESA-N 1 2 228.295 2.820 20 0 BFADLO CC(C)(C(=O)NC1CCCCCC1)c1c[nH]c[nH+]1 ZINC000336455693 387281268 /nfs/dbraw/zinc/28/12/68/387281268.db2.gz SNTMOOHHLQCALZ-UHFFFAOYSA-N 1 2 249.358 2.526 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000360528099 387305225 /nfs/dbraw/zinc/30/52/25/387305225.db2.gz FHEKEEZEFSGRJX-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO C(c1nc(C2CCCC2)no1)[N@@H+]1CCC12CCC2 ZINC000336555988 387380423 /nfs/dbraw/zinc/38/04/23/387380423.db2.gz VLEMNOAWUWWVPH-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO C(c1nc(C2CCCC2)no1)[N@H+]1CCC12CCC2 ZINC000336555988 387380425 /nfs/dbraw/zinc/38/04/25/387380425.db2.gz VLEMNOAWUWWVPH-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO Cc1[nH]c(CN[C@H](C)c2cccc(O)c2)[nH+]c1C ZINC000515073606 387331035 /nfs/dbraw/zinc/33/10/35/387331035.db2.gz QGFFDSHVKUBCAD-LLVKDONJSA-N 1 2 245.326 2.583 20 0 BFADLO CC(C)c1nc(NC2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000162282826 387336762 /nfs/dbraw/zinc/33/67/62/387336762.db2.gz LIXKDYLPQQDOLS-GHMZBOCLSA-N 1 2 249.358 2.968 20 0 BFADLO C[C@H]1CCC[C@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515856138 387431605 /nfs/dbraw/zinc/43/16/05/387431605.db2.gz OVVNXMPKPLSKGQ-QWRGUYRKSA-N 1 2 249.358 2.587 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+](CC(F)F)C(C)C ZINC000361293629 387434919 /nfs/dbraw/zinc/43/49/19/387434919.db2.gz CDLSILWUMMQKOB-LLVKDONJSA-N 1 2 237.334 2.759 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000361293629 387434932 /nfs/dbraw/zinc/43/49/32/387434932.db2.gz CDLSILWUMMQKOB-LLVKDONJSA-N 1 2 237.334 2.759 20 0 BFADLO C[C@@H](Cc1ccsc1)[NH+]1CC(OC(F)F)C1 ZINC000516006187 387447466 /nfs/dbraw/zinc/44/74/66/387447466.db2.gz IXOURDCQKBVHOK-QMMMGPOBSA-N 1 2 247.310 2.603 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000354545399 387394469 /nfs/dbraw/zinc/39/44/69/387394469.db2.gz NWPJYADZENAWCN-RYUDHWBXSA-N 1 2 235.327 2.516 20 0 BFADLO CC[C@](C)(O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354574307 387397506 /nfs/dbraw/zinc/39/75/06/387397506.db2.gz VOTDINRDRHNCIR-AWEZNQCLSA-N 1 2 248.301 2.947 20 0 BFADLO CCc1nc(C[N@H+](C2CC2)C2CCCCC2)no1 ZINC000054317063 387398422 /nfs/dbraw/zinc/39/84/22/387398422.db2.gz ZSPZPCIZSWGECT-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO CCc1nc(C[N@@H+](C2CC2)C2CCCCC2)no1 ZINC000054317063 387398425 /nfs/dbraw/zinc/39/84/25/387398425.db2.gz ZSPZPCIZSWGECT-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO C[N@H+](CCF)Cc1ccc(Cl)s1 ZINC000266900593 387404384 /nfs/dbraw/zinc/40/43/84/387404384.db2.gz XAQULFUPLVTGII-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(Cl)s1 ZINC000266900593 387404390 /nfs/dbraw/zinc/40/43/90/387404390.db2.gz XAQULFUPLVTGII-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cnc2ccccn12 ZINC000352649564 387404660 /nfs/dbraw/zinc/40/46/60/387404660.db2.gz LLQBJCXEYVDATK-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cnc2ccccn12 ZINC000352649564 387404665 /nfs/dbraw/zinc/40/46/65/387404665.db2.gz LLQBJCXEYVDATK-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cc(C)ccc1C)C(=O)OC ZINC000083381213 387407094 /nfs/dbraw/zinc/40/70/94/387407094.db2.gz RADOCKBBVHZLBO-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO Cc1nc(N[C@H]2C[C@]2(C)C(C)C)cc[nH+]1 ZINC000397141915 387543702 /nfs/dbraw/zinc/54/37/02/387543702.db2.gz AZGQIGVJNYIGRY-CMPLNLGQSA-N 1 2 205.305 2.632 20 0 BFADLO c1cc(CNc2ccc(-n3cc[nH+]c3)cc2)c[nH]1 ZINC000355329263 387520643 /nfs/dbraw/zinc/52/06/43/387520643.db2.gz BSMFHYAZUYPQET-UHFFFAOYSA-N 1 2 238.294 2.813 20 0 BFADLO Cc1ccc(NC(=O)N2CC(C3CC3)C2)c(C)[nH+]1 ZINC000643456041 387522165 /nfs/dbraw/zinc/52/21/65/387522165.db2.gz CLPYOHDVTIOCQM-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000192694176 387522140 /nfs/dbraw/zinc/52/21/40/387522140.db2.gz NBMDUVMBYBHXGT-CQSZACIVSA-N 1 2 249.354 2.927 20 0 BFADLO COc1cc(C)c(OCc2c[nH+]cn2C)c(C)c1 ZINC000424106968 387529247 /nfs/dbraw/zinc/52/92/47/387529247.db2.gz SYJOVSZXCJWPHG-UHFFFAOYSA-N 1 2 246.310 2.625 20 0 BFADLO Fc1cc(NCC2(F)CC2)ccc1-n1cc[nH+]c1 ZINC000527222008 387536138 /nfs/dbraw/zinc/53/61/38/387536138.db2.gz IQAGVVVDYDERQC-UHFFFAOYSA-N 1 2 249.264 2.925 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cnccc2C)o1 ZINC000361434344 387462713 /nfs/dbraw/zinc/46/27/13/387462713.db2.gz MONMUDHWBOODOJ-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cnccc2C)o1 ZINC000361434344 387462715 /nfs/dbraw/zinc/46/27/15/387462715.db2.gz MONMUDHWBOODOJ-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO CC[N@H+](CCC1CC1)Cc1noc(C2CC2)n1 ZINC000355042206 387470731 /nfs/dbraw/zinc/47/07/31/387470731.db2.gz VWKVMMKRKABALM-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC[N@@H+](CCC1CC1)Cc1noc(C2CC2)n1 ZINC000355042206 387470733 /nfs/dbraw/zinc/47/07/33/387470733.db2.gz VWKVMMKRKABALM-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@H+](Cc1ccc(F)cc1F)CC1(F)CC1 ZINC000527509538 387586585 /nfs/dbraw/zinc/58/65/85/387586585.db2.gz SQEONFVFHXJQOL-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO C[N@@H+](Cc1ccc(F)cc1F)CC1(F)CC1 ZINC000527509538 387586587 /nfs/dbraw/zinc/58/65/87/387586587.db2.gz SQEONFVFHXJQOL-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3ccccc3c2)[nH]n1 ZINC000041013759 387589111 /nfs/dbraw/zinc/58/91/11/387589111.db2.gz UXNBHAWHGDAENE-UHFFFAOYSA-N 1 2 237.306 2.853 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000355892507 387590845 /nfs/dbraw/zinc/59/08/45/387590845.db2.gz OYCNXCUKSYVOPX-JTQLQIEISA-N 1 2 249.232 2.605 20 0 BFADLO FC(F)(F)CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000355892507 387590848 /nfs/dbraw/zinc/59/08/48/387590848.db2.gz OYCNXCUKSYVOPX-JTQLQIEISA-N 1 2 249.232 2.605 20 0 BFADLO c1c[nH+]c(COCc2cccc3cccnc32)[nH]1 ZINC000123744117 387592567 /nfs/dbraw/zinc/59/25/67/387592567.db2.gz GISQLYCZGGXQKY-UHFFFAOYSA-N 1 2 239.278 2.675 20 0 BFADLO COC1(C)C[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000362313816 387593687 /nfs/dbraw/zinc/59/36/87/387593687.db2.gz XADKWPYZPTWLAR-ZYHUDNBSSA-N 1 2 235.327 2.624 20 0 BFADLO Clc1ccccc1CCOCc1[nH]cc[nH+]1 ZINC000123853170 387596079 /nfs/dbraw/zinc/59/60/79/387596079.db2.gz MONGYQFIANLXHB-UHFFFAOYSA-N 1 2 236.702 2.822 20 0 BFADLO FC1(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000527526073 387596817 /nfs/dbraw/zinc/59/68/17/387596817.db2.gz XARQLOSEVHBMNK-CYBMUJFWSA-N 1 2 241.350 2.770 20 0 BFADLO FC1(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)CC1 ZINC000527526073 387596822 /nfs/dbraw/zinc/59/68/22/387596822.db2.gz XARQLOSEVHBMNK-CYBMUJFWSA-N 1 2 241.350 2.770 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC3CCC2CC3)no1 ZINC000362340321 387599376 /nfs/dbraw/zinc/59/93/76/387599376.db2.gz KZCDPYABJPUSSQ-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC3CCC2CC3)no1 ZINC000362340321 387599378 /nfs/dbraw/zinc/59/93/78/387599378.db2.gz KZCDPYABJPUSSQ-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CCCCc1nc(C[N@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000430286859 387608580 /nfs/dbraw/zinc/60/85/80/387608580.db2.gz VOGDJHJONBGALW-LLVKDONJSA-N 1 2 249.358 2.810 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC(C)=C[C@@H](C)C2)no1 ZINC000430286859 387608584 /nfs/dbraw/zinc/60/85/84/387608584.db2.gz VOGDJHJONBGALW-LLVKDONJSA-N 1 2 249.358 2.810 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2[nH]ncc2C)cc1 ZINC000356069432 387611130 /nfs/dbraw/zinc/61/11/30/387611130.db2.gz VYXLYHBPQXNYGK-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2[nH]ncc2C)cc1 ZINC000356069432 387611138 /nfs/dbraw/zinc/61/11/38/387611138.db2.gz VYXLYHBPQXNYGK-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO Fc1ccc(SCCn2cc[nH+]c2)cc1 ZINC000122514607 387547440 /nfs/dbraw/zinc/54/74/40/387547440.db2.gz SVMMGHUHMQYOAN-UHFFFAOYSA-N 1 2 222.288 2.815 20 0 BFADLO CC[C@@H]([NH2+]Cc1occc1C)c1ccn(C)n1 ZINC000426350770 387557955 /nfs/dbraw/zinc/55/79/55/387557955.db2.gz YOMYJZMHWFYMMT-LLVKDONJSA-N 1 2 233.315 2.562 20 0 BFADLO CC(C)(C)C[N@H+](CCCO)c1ccccc1 ZINC000362563451 387630918 /nfs/dbraw/zinc/63/09/18/387630918.db2.gz ZDSMIIYSSMIPGJ-UHFFFAOYSA-N 1 2 221.344 2.922 20 0 BFADLO CC(C)(C)C[N@@H+](CCCO)c1ccccc1 ZINC000362563451 387630922 /nfs/dbraw/zinc/63/09/22/387630922.db2.gz ZDSMIIYSSMIPGJ-UHFFFAOYSA-N 1 2 221.344 2.922 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(C)(C)CO2 ZINC000527590734 387637920 /nfs/dbraw/zinc/63/79/20/387637920.db2.gz XWEMCEQQPUZAFI-UHFFFAOYSA-N 1 2 228.295 2.757 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC(C)(C)CC ZINC000362599553 387638246 /nfs/dbraw/zinc/63/82/46/387638246.db2.gz MRLDHBMAWLLIAT-UHFFFAOYSA-N 1 2 234.343 2.831 20 0 BFADLO CCCCCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000125326867 387651281 /nfs/dbraw/zinc/65/12/81/387651281.db2.gz DBPFZVBQMNGXCW-SNVBAGLBSA-N 1 2 223.320 2.557 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@H]2CC2(C)C)[nH+]1 ZINC000362844915 387664116 /nfs/dbraw/zinc/66/41/16/387664116.db2.gz YOKHKEGAXBOWJS-JTQLQIEISA-N 1 2 230.315 2.501 20 0 BFADLO c1ccc(CNc2cc[nH+]c3ccncc23)cc1 ZINC000362855131 387665193 /nfs/dbraw/zinc/66/51/93/387665193.db2.gz YNVWGZRRFUDOCO-UHFFFAOYSA-N 1 2 235.290 2.664 20 0 BFADLO Cc1cc(F)ccc1CN(C)c1cc[nH+]c(C)n1 ZINC000362952540 387678089 /nfs/dbraw/zinc/67/80/89/387678089.db2.gz SPYSXEBQHCZETQ-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000440767417 387685464 /nfs/dbraw/zinc/68/54/64/387685464.db2.gz UGXVSSKSSKDKFL-QWRGUYRKSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](F)C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000440767417 387685473 /nfs/dbraw/zinc/68/54/73/387685473.db2.gz UGXVSSKSSKDKFL-QWRGUYRKSA-N 1 2 245.338 2.541 20 0 BFADLO CC1(C)COc2cc(NCc3[nH]cc[nH+]3)ccc21 ZINC000527744568 387688613 /nfs/dbraw/zinc/68/86/13/387688613.db2.gz NUWWRSUXGRNWFJ-UHFFFAOYSA-N 1 2 243.310 2.692 20 0 BFADLO FCCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000126555405 387689495 /nfs/dbraw/zinc/68/94/95/387689495.db2.gz LVGVHCOZVPOWMH-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000126555405 387689498 /nfs/dbraw/zinc/68/94/98/387689498.db2.gz LVGVHCOZVPOWMH-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H](C)O1 ZINC000527821182 387743351 /nfs/dbraw/zinc/74/33/51/387743351.db2.gz LLAGJSDQWAHBAB-TXEJJXNPSA-N 1 2 242.322 2.848 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CC1(Cl)Cl ZINC000527830586 387747694 /nfs/dbraw/zinc/74/76/94/387747694.db2.gz JSFHJOARMXYUTE-ZETCQYMHSA-N 1 2 247.125 2.696 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000128742522 387753810 /nfs/dbraw/zinc/75/38/10/387753810.db2.gz NDTJTMHWTOVLLO-JTQLQIEISA-N 1 2 231.299 2.729 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)[C@@H]1C ZINC000431428207 387707234 /nfs/dbraw/zinc/70/72/34/387707234.db2.gz CLKDDXOBKAFKPI-NXEZZACHSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@@H]1C ZINC000431412957 387707327 /nfs/dbraw/zinc/70/73/27/387707327.db2.gz AFJIBQPGABQTTH-UWVGGRQHSA-N 1 2 247.317 2.805 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431424342 387707898 /nfs/dbraw/zinc/70/78/98/387707898.db2.gz WGIUHSQCAUVWGR-VIFPVBQESA-N 1 2 233.290 2.559 20 0 BFADLO CCCN(CC)c1[nH+]c2ccc(F)cc2n1C ZINC000431425068 387708348 /nfs/dbraw/zinc/70/83/48/387708348.db2.gz CKKPNPJGHBCRGS-UHFFFAOYSA-N 1 2 235.306 2.949 20 0 BFADLO CN(CCC1CC1)c1[nH+]c2ccc(F)cc2n1C ZINC000431403469 387708500 /nfs/dbraw/zinc/70/85/00/387708500.db2.gz MKNIHSBXBGTHAB-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO c1cnc2sc(COc3cc[nH+]cc3)nc2c1 ZINC000431486655 387710682 /nfs/dbraw/zinc/71/06/82/387710682.db2.gz LMWWUHWOLMWQOV-UHFFFAOYSA-N 1 2 243.291 2.665 20 0 BFADLO C[N@H+](CCC1CCCCC1)Cc1csnn1 ZINC000127335403 387710869 /nfs/dbraw/zinc/71/08/69/387710869.db2.gz KNQGAKAMNCDMSA-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[N@@H+](CCC1CCCCC1)Cc1csnn1 ZINC000127335403 387710879 /nfs/dbraw/zinc/71/08/79/387710879.db2.gz KNQGAKAMNCDMSA-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO CCCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377318711 387711527 /nfs/dbraw/zinc/71/15/27/387711527.db2.gz WQOGSMCUWJDQJO-LLVKDONJSA-N 1 2 235.331 2.654 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H](C3CC3)C2)no1 ZINC000377582699 387731297 /nfs/dbraw/zinc/73/12/97/387731297.db2.gz JXXKCUDQYYDVPO-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H](C3CC3)C2)no1 ZINC000377582699 387731306 /nfs/dbraw/zinc/73/13/06/387731306.db2.gz JXXKCUDQYYDVPO-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cc(C)ccc2C)n1 ZINC000356894815 387742516 /nfs/dbraw/zinc/74/25/16/387742516.db2.gz NTCCHJNJKGSXNW-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)ccc1Cl ZINC000356998287 387762038 /nfs/dbraw/zinc/76/20/38/387762038.db2.gz TYBNGWFLFMKWSK-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1Cl ZINC000356998287 387762041 /nfs/dbraw/zinc/76/20/41/387762041.db2.gz TYBNGWFLFMKWSK-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO C[C@H]([NH2+]CCF)c1cc(-c2ccccc2)n(C)n1 ZINC000527892996 387775669 /nfs/dbraw/zinc/77/56/69/387775669.db2.gz JJLUTOULHXPKNX-NSHDSACASA-N 1 2 247.317 2.707 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CC12CC2 ZINC000527896457 387778049 /nfs/dbraw/zinc/77/80/49/387778049.db2.gz FIOIOCSONBTJDB-BIIVOSGPSA-N 1 2 207.239 2.715 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C(C)C)C1 ZINC000527919512 387787681 /nfs/dbraw/zinc/78/76/81/387787681.db2.gz SBROPIVSBSYWLF-NSHDSACASA-N 1 2 220.316 2.573 20 0 BFADLO CN(C[C@@H]1CCOC1)c1[nH+]ccc2ccccc21 ZINC000527916236 387788016 /nfs/dbraw/zinc/78/80/16/387788016.db2.gz SHUSCPGFMJBNMB-LBPRGKRZSA-N 1 2 242.322 2.708 20 0 BFADLO O=C(CCC1CCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378524353 387788493 /nfs/dbraw/zinc/78/84/93/387788493.db2.gz ZLHRFTGKFLZUNE-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO COc1ccc[nH+]c1N1CCC(C(F)F)CC1 ZINC000527927743 387793001 /nfs/dbraw/zinc/79/30/01/387793001.db2.gz DTSSWNABOOMVNV-UHFFFAOYSA-N 1 2 242.269 2.572 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1cccc(F)c1 ZINC000432749959 387812991 /nfs/dbraw/zinc/81/29/91/387812991.db2.gz AZCCQDWAEOTTOH-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1cccc(F)c1 ZINC000432749959 387812993 /nfs/dbraw/zinc/81/29/93/387812993.db2.gz AZCCQDWAEOTTOH-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO Cc1cc(NCCC2=CCCC2)nc[nH+]1 ZINC000157435127 387795802 /nfs/dbraw/zinc/79/58/02/387795802.db2.gz UYZNSMSUMOYAGR-UHFFFAOYSA-N 1 2 203.289 2.697 20 0 BFADLO Cc1nc([C@H](C)[NH2+]Cc2cncs2)cs1 ZINC000157462398 387801036 /nfs/dbraw/zinc/80/10/36/387801036.db2.gz JHGJBFZNTOXXGH-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1nc([C@@H](C)[NH2+]Cc2cncs2)cs1 ZINC000157462268 387801187 /nfs/dbraw/zinc/80/11/87/387801187.db2.gz JHGJBFZNTOXXGH-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO CCC[C@@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452333142 387804222 /nfs/dbraw/zinc/80/42/22/387804222.db2.gz IKJGDPIZDMMLPL-LLVKDONJSA-N 1 2 249.358 2.984 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335381 387805011 /nfs/dbraw/zinc/80/50/11/387805011.db2.gz ZJSIIIRGBSDPGJ-GHMZBOCLSA-N 1 2 247.342 2.594 20 0 BFADLO CC(C)[C@@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334551 387805644 /nfs/dbraw/zinc/80/56/44/387805644.db2.gz NJPRNNYNSMWLKZ-NSHDSACASA-N 1 2 249.358 2.840 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(F)F ZINC000450556413 387806559 /nfs/dbraw/zinc/80/65/59/387806559.db2.gz CBOIQIDHUBHQBD-VIFPVBQESA-N 1 2 241.285 2.540 20 0 BFADLO c1nc([C@H]2CCC[N@H+]2CC2=CCCCC2)no1 ZINC000564044542 387809529 /nfs/dbraw/zinc/80/95/29/387809529.db2.gz UOVAFZIBQCGKBG-GFCCVEGCSA-N 1 2 233.315 2.707 20 0 BFADLO c1nc([C@H]2CCC[N@@H+]2CC2=CCCCC2)no1 ZINC000564044542 387809533 /nfs/dbraw/zinc/80/95/33/387809533.db2.gz UOVAFZIBQCGKBG-GFCCVEGCSA-N 1 2 233.315 2.707 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C(C)(C)C)C1 ZINC000527964208 387811678 /nfs/dbraw/zinc/81/16/78/387811678.db2.gz ULMOWGROCOCJSF-NSHDSACASA-N 1 2 234.343 2.963 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2cocn2)c1 ZINC000432891465 387837233 /nfs/dbraw/zinc/83/72/33/387837233.db2.gz TWHDICWVPBBCAK-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2cocn2)c1 ZINC000432891465 387837237 /nfs/dbraw/zinc/83/72/37/387837237.db2.gz TWHDICWVPBBCAK-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC[C@H](NC(=O)c1oc(C)cc1C)c1[nH]cc[nH+]1 ZINC000442815897 387845172 /nfs/dbraw/zinc/84/51/72/387845172.db2.gz WYMXTMJEMADTLI-JTQLQIEISA-N 1 2 247.298 2.501 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]CCC1(O)CC1 ZINC000442859723 387853951 /nfs/dbraw/zinc/85/39/51/387853951.db2.gz QYXKYMXKBDPCOE-UHFFFAOYSA-N 1 2 235.327 2.721 20 0 BFADLO Cc1cc(F)c(C[NH2+][C@@H](C)CF)c(F)c1 ZINC000424166655 387854287 /nfs/dbraw/zinc/85/42/87/387854287.db2.gz CGXPMOCKPCXXID-QMMMGPOBSA-N 1 2 217.234 2.721 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000528034058 387817506 /nfs/dbraw/zinc/81/75/06/387817506.db2.gz RSSCKSIIHKYHMS-VWYCJHECSA-N 1 2 218.300 2.691 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ncccc1Cl ZINC000528335037 387895250 /nfs/dbraw/zinc/89/52/50/387895250.db2.gz ALOCZYAKFBEUFX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ncccc1Cl ZINC000528335037 387895254 /nfs/dbraw/zinc/89/52/54/387895254.db2.gz ALOCZYAKFBEUFX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000443996222 387881963 /nfs/dbraw/zinc/88/19/63/387881963.db2.gz JEPQRHJTPXTKIE-JOYOIKCWSA-N 1 2 231.343 2.685 20 0 BFADLO CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000452661914 387883330 /nfs/dbraw/zinc/88/33/30/387883330.db2.gz LGNGECJUPNZKPV-LLVKDONJSA-N 1 2 237.347 2.663 20 0 BFADLO Cc1nc([C@](C)([NH2+]CC2=CCCC2)C2CC2)no1 ZINC000645922751 387883788 /nfs/dbraw/zinc/88/37/88/387883788.db2.gz PZZRWFROQZHXLX-CQSZACIVSA-N 1 2 247.342 2.703 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ncccn2)ccc1F ZINC000444743460 387919088 /nfs/dbraw/zinc/91/90/88/387919088.db2.gz IOSCCAPFCYXCTO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ncccn2)ccc1F ZINC000444743460 387919093 /nfs/dbraw/zinc/91/90/93/387919093.db2.gz IOSCCAPFCYXCTO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC[C@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(=O)OC ZINC000106032098 387942890 /nfs/dbraw/zinc/94/28/90/387942890.db2.gz KYBUXCKKRPXFJF-UONOGXRCSA-N 1 2 249.354 2.925 20 0 BFADLO CCc1cc(OCC[C@H](C)O)c2ccccc2[nH+]1 ZINC000418920693 387947896 /nfs/dbraw/zinc/94/78/96/387947896.db2.gz HVKPAYVBNFQTAD-NSHDSACASA-N 1 2 245.322 2.947 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCO[C@@H](C)C1 ZINC000245552375 387959860 /nfs/dbraw/zinc/95/98/60/387959860.db2.gz QJFULBLCQGDFNH-WDEREUQCSA-N 1 2 246.310 2.610 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCO[C@@H](C)C1 ZINC000245552375 387959863 /nfs/dbraw/zinc/95/98/63/387959863.db2.gz QJFULBLCQGDFNH-WDEREUQCSA-N 1 2 246.310 2.610 20 0 BFADLO CC(C)=CCSCCCn1cc[nH+]c1 ZINC000446120263 388002063 /nfs/dbraw/zinc/00/20/63/388002063.db2.gz AJZYTTMWIJPHGU-UHFFFAOYSA-N 1 2 210.346 2.973 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C)nc1 ZINC000453175501 388003056 /nfs/dbraw/zinc/00/30/56/388003056.db2.gz ORGJBPWEDNPOHC-NSHDSACASA-N 1 2 230.315 2.780 20 0 BFADLO CC(C)c1nc(NCCCC(F)(F)F)cc[nH+]1 ZINC000439690975 388012255 /nfs/dbraw/zinc/01/22/55/388012255.db2.gz GYBRTKZYSPBKIK-UHFFFAOYSA-N 1 2 247.264 2.776 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cncs1)C(F)F ZINC000453228322 388015585 /nfs/dbraw/zinc/01/55/85/388015585.db2.gz BMXVFSLRFVYLHM-NKWVEPMBSA-N 1 2 220.288 2.837 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c(C)n1 ZINC000453296249 388037179 /nfs/dbraw/zinc/03/71/79/388037179.db2.gz RENZELWNMZFQFU-APPZFPTMSA-N 1 2 243.301 2.788 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c(C)n1 ZINC000453296252 388037351 /nfs/dbraw/zinc/03/73/51/388037351.db2.gz RENZELWNMZFQFU-IONNQARKSA-N 1 2 243.301 2.788 20 0 BFADLO c1cc2c(nc[nH+]c2N2CCc3ccccc32)[nH]1 ZINC000082359103 388031540 /nfs/dbraw/zinc/03/15/40/388031540.db2.gz SPALHJSXDRKNCR-UHFFFAOYSA-N 1 2 236.278 2.652 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C(C)C)C2)[nH+]1 ZINC000447067607 388052194 /nfs/dbraw/zinc/05/21/94/388052194.db2.gz IZPDZAUZEAIYDF-NSHDSACASA-N 1 2 244.342 2.749 20 0 BFADLO CC[C@H]1CO[C@@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000447080729 388053357 /nfs/dbraw/zinc/05/33/57/388053357.db2.gz YSKAUQVUTFAWAL-RYUDHWBXSA-N 1 2 249.358 2.604 20 0 BFADLO CCc1cccc(N(C)Cc2[nH+]ccn2C)c1 ZINC000453623284 388094480 /nfs/dbraw/zinc/09/44/80/388094480.db2.gz YSNZOQUKPZEONT-UHFFFAOYSA-N 1 2 229.327 2.619 20 0 BFADLO FCC(CF)[NH2+]C/C=C\c1ccccc1 ZINC000449379520 388187598 /nfs/dbraw/zinc/18/75/98/388187598.db2.gz IWTYHQZBUKGNGU-DAXSKMNVSA-N 1 2 211.255 2.597 20 0 BFADLO Cc1cc(C[NH2+]CC(C)(F)F)cc(C)c1O ZINC000646244406 388170350 /nfs/dbraw/zinc/17/03/50/388170350.db2.gz HNMIGJBLUJESSZ-UHFFFAOYSA-N 1 2 229.270 2.754 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccnn1C(C)C)C(F)F ZINC000449363964 388182122 /nfs/dbraw/zinc/18/21/22/388182122.db2.gz QQHIMRZAXIDJGT-SNVBAGLBSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H]([NH2+]Cc1sccc1OC)C(F)F ZINC000449362841 388182225 /nfs/dbraw/zinc/18/22/25/388182225.db2.gz NQXSBWMQXIGAOR-ZETCQYMHSA-N 1 2 235.299 2.890 20 0 BFADLO CC[C@H]([NH2+]Cc1cnccc1C)C(F)F ZINC000449366674 388183426 /nfs/dbraw/zinc/18/34/26/388183426.db2.gz ZUJLIFFRONHRDN-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnccc1C)C(F)F ZINC000449366675 388183704 /nfs/dbraw/zinc/18/37/04/388183704.db2.gz ZUJLIFFRONHRDN-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc(Cl)cc1 ZINC000449372100 388185113 /nfs/dbraw/zinc/18/51/13/388185113.db2.gz CHXZOOVWTRPMPS-UHFFFAOYSA-N 1 2 219.662 2.737 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc(Cl)c1 ZINC000449373143 388185147 /nfs/dbraw/zinc/18/51/47/388185147.db2.gz ONQRGGODQMKUCV-UHFFFAOYSA-N 1 2 219.662 2.737 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C(C)C)C1CC1 ZINC000324488168 388121492 /nfs/dbraw/zinc/12/14/92/388121492.db2.gz DAGFYMSUOJUKMX-LBPRGKRZSA-N 1 2 220.316 2.937 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000448935766 388121670 /nfs/dbraw/zinc/12/16/70/388121670.db2.gz JTBFKOLKZFNUGS-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CCC[C@H]2C)cc[nH+]1 ZINC000448961924 388123508 /nfs/dbraw/zinc/12/35/08/388123508.db2.gz NWFVZCJWJKDVRU-QMTHXVAHSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CCC[C@H]2C)cc[nH+]1 ZINC000448961925 388123687 /nfs/dbraw/zinc/12/36/87/388123687.db2.gz NWFVZCJWJKDVRU-YGRLFVJLSA-N 1 2 232.327 2.577 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ccno2)CCC1 ZINC000646025644 388126172 /nfs/dbraw/zinc/12/61/72/388126172.db2.gz LUHIHSDEUZFIIO-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO C[C@@H](c1csnn1)[N@H+](C)CCC(C)(C)C ZINC000646028899 388128152 /nfs/dbraw/zinc/12/81/52/388128152.db2.gz JABULBATLBVXFV-VIFPVBQESA-N 1 2 227.377 2.967 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+](C)CCC(C)(C)C ZINC000646028899 388128154 /nfs/dbraw/zinc/12/81/54/388128154.db2.gz JABULBATLBVXFV-VIFPVBQESA-N 1 2 227.377 2.967 20 0 BFADLO Cc1cccc(C[N@@H+]2CCOCC23CCC3)c1F ZINC000449031463 388132598 /nfs/dbraw/zinc/13/25/98/388132598.db2.gz VHBWVVCXUQUAHM-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1cccc(C[N@H+]2CCOCC23CCC3)c1F ZINC000449031463 388132600 /nfs/dbraw/zinc/13/26/00/388132600.db2.gz VHBWVVCXUQUAHM-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO CC(C)(C)c1ncc(C[NH2+]C(CF)CF)s1 ZINC000449380435 388188696 /nfs/dbraw/zinc/18/86/96/388188696.db2.gz NAZYAZKRJHBYAP-UHFFFAOYSA-N 1 2 248.342 2.838 20 0 BFADLO Cc1ccc(NC(=O)NCC[C@@H](C)F)c(C)[nH+]1 ZINC000455053702 388146951 /nfs/dbraw/zinc/14/69/51/388146951.db2.gz VIPLHYYCGRPLJC-MRVPVSSYSA-N 1 2 239.294 2.568 20 0 BFADLO CCOC[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC000162947587 388254928 /nfs/dbraw/zinc/25/49/28/388254928.db2.gz FZRQBBAQUSDZAF-SNVBAGLBSA-N 1 2 208.305 2.535 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000456346467 388195254 /nfs/dbraw/zinc/19/52/54/388195254.db2.gz HFDHREMKKJEAJF-WOPDTQHZSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@@]1(C)CC ZINC000456336539 388195851 /nfs/dbraw/zinc/19/58/51/388195851.db2.gz ANKPDBOWDHIVKE-MISXGVKJSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CCCCC1 ZINC000456356214 388196393 /nfs/dbraw/zinc/19/63/93/388196393.db2.gz RCMKWXXGYDLGKU-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC1CCCC1 ZINC000456366230 388197483 /nfs/dbraw/zinc/19/74/83/388197483.db2.gz ZNRBDPZMYICFNX-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(C)CCCC1 ZINC000456377009 388198526 /nfs/dbraw/zinc/19/85/26/388198526.db2.gz HXBDNZWCEVQGQZ-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CC[C@H](C)CCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456426945 388200321 /nfs/dbraw/zinc/20/03/21/388200321.db2.gz QVZXWZSHBYLIEL-SDDRHHMPSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(C)(C)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456426904 388200790 /nfs/dbraw/zinc/20/07/90/388200790.db2.gz QTXMKZFEQYXCIO-QWRGUYRKSA-N 1 2 249.358 2.831 20 0 BFADLO CCCC1(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000456439140 388200880 /nfs/dbraw/zinc/20/08/80/388200880.db2.gz XYFNWJDCKOFFIW-QWRGUYRKSA-N 1 2 247.342 2.585 20 0 BFADLO CC(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456443176 388202335 /nfs/dbraw/zinc/20/23/35/388202335.db2.gz ZZVGXCIDDJLGIQ-SRVKXCTJSA-N 1 2 249.358 2.687 20 0 BFADLO COCc1nc(C[N@H+](C)[C@H]2CC2(C)C)cs1 ZINC000489452904 388215364 /nfs/dbraw/zinc/21/53/64/388215364.db2.gz WCSLENLFLIWGJA-JTQLQIEISA-N 1 2 240.372 2.520 20 0 BFADLO COCc1nc(C[N@@H+](C)[C@H]2CC2(C)C)cs1 ZINC000489452904 388215365 /nfs/dbraw/zinc/21/53/65/388215365.db2.gz WCSLENLFLIWGJA-JTQLQIEISA-N 1 2 240.372 2.520 20 0 BFADLO CC(C)=CC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000449503407 388220626 /nfs/dbraw/zinc/22/06/26/388220626.db2.gz HRQWPQNYUFWFMG-LBPRGKRZSA-N 1 2 227.348 2.518 20 0 BFADLO Cc1cc(C)c(CNC(=O)CC2CCC2)c[nH+]1 ZINC000456833959 388226101 /nfs/dbraw/zinc/22/61/01/388226101.db2.gz HBENTMQVTUSQQX-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H](C)CC(C)C)c[nH+]1 ZINC000456839375 388226688 /nfs/dbraw/zinc/22/66/88/388226688.db2.gz MTGXENTWTRDXCX-LBPRGKRZSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(C)c(CNC(=O)CCC(C)C)c[nH+]1 ZINC000456844118 388227147 /nfs/dbraw/zinc/22/71/47/388227147.db2.gz HJPUVCAJWHDMST-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@@H]2C=CCC2)c[nH+]1 ZINC000456869973 388229408 /nfs/dbraw/zinc/22/94/08/388229408.db2.gz ZCFIRBUZUKPVEX-CYBMUJFWSA-N 1 2 244.338 2.671 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000457001169 388236775 /nfs/dbraw/zinc/23/67/75/388236775.db2.gz LYEQVVXZCBJPGF-SCVCMEIPSA-N 1 2 249.358 2.663 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2ccc(C)cn2)o1 ZINC000449614194 388243199 /nfs/dbraw/zinc/24/31/99/388243199.db2.gz UQSKKMFIEABRNL-UHFFFAOYSA-N 1 2 245.326 2.620 20 0 BFADLO Cc1c[nH+]cc(NCc2cnc(C3CC3)nc2)c1 ZINC000459450806 388245695 /nfs/dbraw/zinc/24/56/95/388245695.db2.gz OYHTWVKJKZFHDK-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CC(C)OC(=O)[C@@H]([NH2+][C@@H]1C=CCCC1)C(C)C ZINC000451610184 388283892 /nfs/dbraw/zinc/28/38/92/388283892.db2.gz SQWFLWGUSQCCMP-OLZOCXBDSA-N 1 2 239.359 2.661 20 0 BFADLO C[C@@H](O)C[N@H+](CCCC1CCCC1)CC(F)F ZINC000451824784 388299089 /nfs/dbraw/zinc/29/90/89/388299089.db2.gz AIGKIVFKFTWUJY-LLVKDONJSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@@H](O)C[N@@H+](CCCC1CCCC1)CC(F)F ZINC000451824784 388299091 /nfs/dbraw/zinc/29/90/91/388299091.db2.gz AIGKIVFKFTWUJY-LLVKDONJSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@H](O)C[N@H+](CCCC1CCCC1)CC(F)F ZINC000451824785 388299233 /nfs/dbraw/zinc/29/92/33/388299233.db2.gz AIGKIVFKFTWUJY-NSHDSACASA-N 1 2 249.345 2.905 20 0 BFADLO C[C@H](O)C[N@@H+](CCCC1CCCC1)CC(F)F ZINC000451824785 388299235 /nfs/dbraw/zinc/29/92/35/388299235.db2.gz AIGKIVFKFTWUJY-NSHDSACASA-N 1 2 249.345 2.905 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000648721396 388352829 /nfs/dbraw/zinc/35/28/29/388352829.db2.gz XDRDKUMLXDAMDL-UMNHJUIQSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000648721396 388352831 /nfs/dbraw/zinc/35/28/31/388352831.db2.gz XDRDKUMLXDAMDL-UMNHJUIQSA-N 1 2 223.291 2.947 20 0 BFADLO c1coc([C@@H]2[N@H+](Cc3cn[nH]c3)CC23CCC3)c1 ZINC000648801762 388374241 /nfs/dbraw/zinc/37/42/41/388374241.db2.gz ZYIIDOCLGQZDMV-ZDUSSCGKSA-N 1 2 243.310 2.730 20 0 BFADLO c1coc([C@@H]2[N@@H+](Cc3cn[nH]c3)CC23CCC3)c1 ZINC000648801762 388374244 /nfs/dbraw/zinc/37/42/44/388374244.db2.gz ZYIIDOCLGQZDMV-ZDUSSCGKSA-N 1 2 243.310 2.730 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2COc3ccc(C)cc32)no1 ZINC000572818572 388379007 /nfs/dbraw/zinc/37/90/07/388379007.db2.gz ZOGKBGWIGPXASS-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO CC=C(C=CC(=O)Nc1cc[nH+]cc1C)CC ZINC000492164391 388337165 /nfs/dbraw/zinc/33/71/65/388337165.db2.gz AWTSXCACYOVZLD-GJQNCLFESA-N 1 2 230.311 2.663 20 0 BFADLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccccc1 ZINC000492250568 388339392 /nfs/dbraw/zinc/33/93/92/388339392.db2.gz ILRGUUUQGFGFJS-HJWRWDBZSA-N 1 2 241.294 2.555 20 0 BFADLO Cc1cc(NC2(C3(C)CC3)CC2)nc[nH+]1 ZINC000335195262 388449020 /nfs/dbraw/zinc/44/90/20/388449020.db2.gz LIKKETNVJRNENM-UHFFFAOYSA-N 1 2 203.289 2.530 20 0 BFADLO C[C@H]([NH2+]CCF)c1c(F)cccc1F ZINC000336702219 388464948 /nfs/dbraw/zinc/46/49/48/388464948.db2.gz YTCSURKNKWPOIT-ZETCQYMHSA-N 1 2 203.207 2.585 20 0 BFADLO C[C@H](Cc1ccncc1)Nc1cccc[nH+]1 ZINC000336722285 388468940 /nfs/dbraw/zinc/46/89/40/388468940.db2.gz ARHXIVORZPOXEG-LLVKDONJSA-N 1 2 213.284 2.520 20 0 BFADLO CCOCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000194038034 388474802 /nfs/dbraw/zinc/47/48/02/388474802.db2.gz QRTWVWPUWLQAAK-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2[nH+]ccn2C)c1 ZINC000195514999 388477492 /nfs/dbraw/zinc/47/74/92/388477492.db2.gz WPXZGUVJLIAGRI-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO CCC1CCC(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000336887337 388428464 /nfs/dbraw/zinc/42/84/64/388428464.db2.gz DBBAYBZANXZKLL-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO C/C(Cl)=C\C[N@@H+](C)Cc1ccccn1 ZINC000528517460 388541677 /nfs/dbraw/zinc/54/16/77/388541677.db2.gz INAHZECSEDXLDC-UXBLZVDNSA-N 1 2 210.708 2.656 20 0 BFADLO C/C(Cl)=C\C[N@H+](C)Cc1ccccn1 ZINC000528517460 388541679 /nfs/dbraw/zinc/54/16/79/388541679.db2.gz INAHZECSEDXLDC-UXBLZVDNSA-N 1 2 210.708 2.656 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)F)[C@@H]1CC1(C)C ZINC000397627982 388484530 /nfs/dbraw/zinc/48/45/30/388484530.db2.gz NEDVFWFJSJBWAX-YUMQZZPRSA-N 1 2 209.255 2.963 20 0 BFADLO CCCCc1nc(C[N@H+](C)CCC2CC2)no1 ZINC000135261145 388488370 /nfs/dbraw/zinc/48/83/70/388488370.db2.gz FAQDHCZJUOCMFW-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CCC2CC2)no1 ZINC000135261145 388488371 /nfs/dbraw/zinc/48/83/71/388488371.db2.gz FAQDHCZJUOCMFW-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CC(C)[N@H+](CCOC(C)(C)C)CC(F)F ZINC000135402173 388494120 /nfs/dbraw/zinc/49/41/20/388494120.db2.gz XSPQIZWVMLFAJP-UHFFFAOYSA-N 1 2 223.307 2.777 20 0 BFADLO CC(C)[N@@H+](CCOC(C)(C)C)CC(F)F ZINC000135402173 388494121 /nfs/dbraw/zinc/49/41/21/388494121.db2.gz XSPQIZWVMLFAJP-UHFFFAOYSA-N 1 2 223.307 2.777 20 0 BFADLO c1nc(C[NH2+]Cc2cnc3ccccc3c2)co1 ZINC000341298783 388495049 /nfs/dbraw/zinc/49/50/49/388495049.db2.gz VKOVUWLZYAVZBJ-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)o1 ZINC000397925570 388512093 /nfs/dbraw/zinc/51/20/93/388512093.db2.gz QYFWLKQLKBDBSU-RNCFNFMXSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCOC[C@H]1C ZINC000136161228 388524309 /nfs/dbraw/zinc/52/43/09/388524309.db2.gz PTYJKXXGAJQEKV-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCOC[C@H]1C ZINC000136161228 388524310 /nfs/dbraw/zinc/52/43/10/388524310.db2.gz PTYJKXXGAJQEKV-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO C[C@@H](NC(=O)CC1CCC(C)CC1)c1[nH]cc[nH+]1 ZINC000564345913 388524934 /nfs/dbraw/zinc/52/49/34/388524934.db2.gz DACMYXXPDFNZER-MOENNCHZSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1ccc(OCc2ccc(C)[nH+]c2C)cn1 ZINC000185360663 388586390 /nfs/dbraw/zinc/58/63/90/388586390.db2.gz GCDKIBPAKNMRJE-UHFFFAOYSA-N 1 2 228.295 2.981 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000185677768 388590254 /nfs/dbraw/zinc/59/02/54/388590254.db2.gz FJTDUWRYJSGSHY-NEPJUHHUSA-N 1 2 232.327 2.929 20 0 BFADLO c1ccc(N2C[C@@H]3CCCC[C@@H]3C2)[nH+]c1 ZINC000301588827 388596367 /nfs/dbraw/zinc/59/63/67/388596367.db2.gz WXXZPCFRRWKAAP-TXEJJXNPSA-N 1 2 202.301 2.708 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccnn1C(C)C ZINC000623678906 388614451 /nfs/dbraw/zinc/61/44/51/388614451.db2.gz AWRXCYCBCTUJFP-UHFFFAOYSA-N 1 2 231.290 2.599 20 0 BFADLO CCCN(Cc1c[nH+]cn1C)c1ccccc1F ZINC000528638071 388554285 /nfs/dbraw/zinc/55/42/85/388554285.db2.gz WCHQXFYVTCYLOP-UHFFFAOYSA-N 1 2 247.317 2.976 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137603 388563546 /nfs/dbraw/zinc/56/35/46/388563546.db2.gz WOHNCLQBQHJTPR-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]([NH2+]Cc1c[nH]nn1)c1cc(C)ccc1C ZINC000528799774 388574729 /nfs/dbraw/zinc/57/47/29/388574729.db2.gz OHHZSYQYBMBEGN-AWEZNQCLSA-N 1 2 244.342 2.662 20 0 BFADLO CC[C@H]([NH2+]Cc1cn[nH]n1)c1cc(C)ccc1C ZINC000528799774 388574731 /nfs/dbraw/zinc/57/47/31/388574731.db2.gz OHHZSYQYBMBEGN-AWEZNQCLSA-N 1 2 244.342 2.662 20 0 BFADLO COC(=O)[C@H]([NH2+]CC(C)(C)C)c1ccccc1C ZINC000184994030 388584461 /nfs/dbraw/zinc/58/44/61/388584461.db2.gz QKGKZVGAJYDWCP-CYBMUJFWSA-N 1 2 249.354 2.845 20 0 BFADLO CC[C@@H](NC(=O)CC1(C)CCCC1)c1[nH]cc[nH+]1 ZINC000522035864 388675802 /nfs/dbraw/zinc/67/58/02/388675802.db2.gz HPFDSPSIHUDVHE-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@@H]1C=CCCC1)[C@@H](C)CC ZINC000248538569 388682997 /nfs/dbraw/zinc/68/29/97/388682997.db2.gz AMKAJJNQQQHIQS-YNEHKIRRSA-N 1 2 239.359 2.663 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000037853302 388649547 /nfs/dbraw/zinc/64/95/47/388649547.db2.gz CXGHPAILSRMISA-AWEZNQCLSA-N 1 2 247.338 2.823 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)[C@H]1C ZINC000246718160 388650161 /nfs/dbraw/zinc/65/01/61/388650161.db2.gz LNDOHDYTWFFICS-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)[C@H]1C ZINC000246718160 388650163 /nfs/dbraw/zinc/65/01/63/388650163.db2.gz LNDOHDYTWFFICS-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2ccn(C)c21 ZINC000190810537 388657382 /nfs/dbraw/zinc/65/73/82/388657382.db2.gz DSWFZBPJFZMKTH-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO CC1(C)CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000552050334 388663603 /nfs/dbraw/zinc/66/36/03/388663603.db2.gz VTXABLLSGJRECT-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC1(C)CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000552050334 388663604 /nfs/dbraw/zinc/66/36/04/388663604.db2.gz VTXABLLSGJRECT-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO Cc1cc(NC(=O)c2cc(C3CC3)on2)cc[nH+]1 ZINC000194512812 388734172 /nfs/dbraw/zinc/73/41/72/388734172.db2.gz BKECAIZMSXFVKR-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO CC(C)c1nc(NCCCOC(F)F)cc[nH+]1 ZINC000193612398 388710697 /nfs/dbraw/zinc/71/06/97/388710697.db2.gz AZJUNPPEFTUOIM-UHFFFAOYSA-N 1 2 245.273 2.641 20 0 BFADLO CC(C)CC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000066410860 388717123 /nfs/dbraw/zinc/71/71/23/388717123.db2.gz XTIXAPJVAWGAGB-SNVBAGLBSA-N 1 2 247.346 2.600 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1 ZINC000226721044 388728048 /nfs/dbraw/zinc/72/80/48/388728048.db2.gz FKMJTXARGJTMAF-IACUBPJLSA-N 1 2 247.338 2.536 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2cccc(O)c2)n1 ZINC000088603319 388732628 /nfs/dbraw/zinc/73/26/28/388732628.db2.gz HVNSBUIZYDVRRJ-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2cccc(O)c2)n1 ZINC000088603319 388732631 /nfs/dbraw/zinc/73/26/31/388732631.db2.gz HVNSBUIZYDVRRJ-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cscn2)s1 ZINC000127876001 388733369 /nfs/dbraw/zinc/73/33/69/388733369.db2.gz XCECDZTYZFFDEB-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1c(F)cccc1Cl ZINC000288555564 388795710 /nfs/dbraw/zinc/79/57/10/388795710.db2.gz YFMAQVGYUYOUKT-ZETCQYMHSA-N 1 2 219.662 2.927 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(C)cc(F)c1 ZINC000091510208 388765208 /nfs/dbraw/zinc/76/52/08/388765208.db2.gz FSSPZFNUXBAOMJ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1nocc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000555577274 388854399 /nfs/dbraw/zinc/85/43/99/388854399.db2.gz IGVVVTKNKMMLEG-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CCCC1CC1 ZINC000555723738 388860138 /nfs/dbraw/zinc/86/01/38/388860138.db2.gz NQZQDURQHMVMAI-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccno1)c1c(C)noc1C ZINC000541638501 388861117 /nfs/dbraw/zinc/86/11/17/388861117.db2.gz LNNYNYNZOFIRKI-LLVKDONJSA-N 1 2 235.287 2.520 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C)c(C)c[nH+]1 ZINC000564867647 388896351 /nfs/dbraw/zinc/89/63/51/388896351.db2.gz IVJLRUGSFOHQFR-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565048017 388910915 /nfs/dbraw/zinc/91/09/15/388910915.db2.gz QLJRZQDWISUJFL-XQQFMLRXSA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)(NC(=O)CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000565105654 388915182 /nfs/dbraw/zinc/91/51/82/388915182.db2.gz MVNARHUKJFUCMH-UHFFFAOYSA-N 1 2 249.358 2.731 20 0 BFADLO c1[nH]cc(NCc2cccc3cccnc32)[nH+]1 ZINC000566041558 388984811 /nfs/dbraw/zinc/98/48/11/388984811.db2.gz ODWCQTJKFTYNQR-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO CCCCNc1cc[nH+]c2ccncc12 ZINC000267176623 388998514 /nfs/dbraw/zinc/99/85/14/388998514.db2.gz DGZQGVGIJKCXPX-UHFFFAOYSA-N 1 2 201.273 2.842 20 0 BFADLO CSCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219039 533566135 /nfs/dbraw/zinc/56/61/35/533566135.db2.gz GXPDXDSARWAWEN-VIFPVBQESA-N 1 2 223.332 2.717 20 0 BFADLO CSCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219039 533566136 /nfs/dbraw/zinc/56/61/36/533566136.db2.gz GXPDXDSARWAWEN-VIFPVBQESA-N 1 2 223.332 2.717 20 0 BFADLO C[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000266511614 132187699 /nfs/dbraw/zinc/18/76/99/132187699.db2.gz XSOIKACWZWYTKI-MNOVXSKESA-N 1 2 231.343 2.979 20 0 BFADLO Cc1nc(N2CCCC[C@@H]2C(C)C)cc[nH+]1 ZINC000271320001 132199201 /nfs/dbraw/zinc/19/92/01/132199201.db2.gz OBONWHVAJBXDCW-GFCCVEGCSA-N 1 2 219.332 2.800 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000272134590 132200247 /nfs/dbraw/zinc/20/02/47/132200247.db2.gz KXEUZZSQNAYASQ-NEPJUHHUSA-N 1 2 248.370 2.904 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000272134590 132200248 /nfs/dbraw/zinc/20/02/48/132200248.db2.gz KXEUZZSQNAYASQ-NEPJUHHUSA-N 1 2 248.370 2.904 20 0 BFADLO c1ccc(N2CCC[C@H](C3CC3)C2)[nH+]c1 ZINC000288382993 132216551 /nfs/dbraw/zinc/21/65/51/132216551.db2.gz ZLYMCGWPRREWJN-LBPRGKRZSA-N 1 2 202.301 2.708 20 0 BFADLO FCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000294920435 132219590 /nfs/dbraw/zinc/21/95/90/132219590.db2.gz GOYIAZBPIWODFS-UHFFFAOYSA-N 1 2 245.301 2.816 20 0 BFADLO CC[C@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CCO1 ZINC000340835454 132225623 /nfs/dbraw/zinc/22/56/23/132225623.db2.gz RRJRTEDANIUVRR-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO c1nc(N2CCCCC2)cc(NCCC2CC2)[nH+]1 ZINC000301482809 132254058 /nfs/dbraw/zinc/25/40/58/132254058.db2.gz XLVNXFKQEPCTBQ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCCC2CC2)cc(N2CCCCC2)[nH+]1 ZINC000301482809 132254060 /nfs/dbraw/zinc/25/40/60/132254060.db2.gz XLVNXFKQEPCTBQ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1cc(N2CCC[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301527950 132254409 /nfs/dbraw/zinc/25/44/09/132254409.db2.gz ODIQUJGTMKGUGQ-CHWSQXEVSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000302697410 132265765 /nfs/dbraw/zinc/26/57/65/132265765.db2.gz TXQXVUMJPRDLNQ-VWYCJHECSA-N 1 2 219.332 2.656 20 0 BFADLO C[C@H]1Cc2ccccc2N(Cc2c[nH+]cn2C)C1 ZINC000356947442 132272220 /nfs/dbraw/zinc/27/22/20/132272220.db2.gz MSWVSRIIAHQBKB-LBPRGKRZSA-N 1 2 241.338 2.619 20 0 BFADLO C[C@@H]1Cc2ccccc2N(Cc2c[nH+]cn2C)C1 ZINC000356947441 132272400 /nfs/dbraw/zinc/27/24/00/132272400.db2.gz MSWVSRIIAHQBKB-GFCCVEGCSA-N 1 2 241.338 2.619 20 0 BFADLO Cc1cc(N2CCO[C@@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000360869910 132279446 /nfs/dbraw/zinc/27/94/46/132279446.db2.gz HEWHKPPHYJADGB-RYUDHWBXSA-N 1 2 249.358 2.522 20 0 BFADLO C[C@H]1C[C@H](C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111086 132438153 /nfs/dbraw/zinc/43/81/53/132438153.db2.gz NSHSORVPJSPIBY-QWRGUYRKSA-N 1 2 231.343 2.836 20 0 BFADLO Cc1cc(N2CCS[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000116260909 132438403 /nfs/dbraw/zinc/43/84/03/132438403.db2.gz PKKXCCUETDTJCS-SNVBAGLBSA-N 1 2 249.383 2.604 20 0 BFADLO C[C@H]1Cc2ccccc2N(Cc2[nH+]ccn2C)C1 ZINC000104720742 132445057 /nfs/dbraw/zinc/44/50/57/132445057.db2.gz RXIZOVIBTMTLSS-LBPRGKRZSA-N 1 2 241.338 2.619 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000351972816 134025007 /nfs/dbraw/zinc/02/50/07/134025007.db2.gz VGKQNHXGZPMDCZ-NSHDSACASA-N 1 2 241.281 2.901 20 0 BFADLO CC(C)[C@@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000351972816 134025008 /nfs/dbraw/zinc/02/50/08/134025008.db2.gz VGKQNHXGZPMDCZ-NSHDSACASA-N 1 2 241.281 2.901 20 0 BFADLO CCC1CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000336009237 134050467 /nfs/dbraw/zinc/05/04/67/134050467.db2.gz VPSJJIDUNZPFIT-SECBINFHSA-N 1 2 223.320 2.561 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000336011154 134051156 /nfs/dbraw/zinc/05/11/56/134051156.db2.gz BJEFONYMYBPGLH-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000336011154 134051157 /nfs/dbraw/zinc/05/11/57/134051157.db2.gz BJEFONYMYBPGLH-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]2C(F)F)O1 ZINC000336028466 134057587 /nfs/dbraw/zinc/05/75/87/134057587.db2.gz YHZOZXXQSJJLOI-NXEZZACHSA-N 1 2 233.302 2.674 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]2C(F)F)O1 ZINC000336028466 134057588 /nfs/dbraw/zinc/05/75/88/134057588.db2.gz YHZOZXXQSJJLOI-NXEZZACHSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(-c2cccs2)no1 ZINC000336055082 134066144 /nfs/dbraw/zinc/06/61/44/134066144.db2.gz FMOIONGHIGSIEO-RKDXNWHRSA-N 1 2 249.339 2.781 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(-c2cccs2)no1 ZINC000336055081 134066152 /nfs/dbraw/zinc/06/61/52/134066152.db2.gz FMOIONGHIGSIEO-IUCAKERBSA-N 1 2 249.339 2.781 20 0 BFADLO C[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119607 134089898 /nfs/dbraw/zinc/08/98/98/134089898.db2.gz AXUJWYKTAYOSSV-HZMBPMFUSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119607 134089899 /nfs/dbraw/zinc/08/98/99/134089899.db2.gz AXUJWYKTAYOSSV-HZMBPMFUSA-N 1 2 247.313 2.724 20 0 BFADLO CS[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000336202889 134131082 /nfs/dbraw/zinc/13/10/82/134131082.db2.gz OXPPFJINDFTQQF-JTQLQIEISA-N 1 2 237.372 2.542 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H]2C2CC2)c1F ZINC000336216349 134137182 /nfs/dbraw/zinc/13/71/82/134137182.db2.gz UOVBMVDCCDZXHQ-LLVKDONJSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H]2C2CC2)c1F ZINC000336216349 134137183 /nfs/dbraw/zinc/13/71/83/134137183.db2.gz UOVBMVDCCDZXHQ-LLVKDONJSA-N 1 2 239.265 2.655 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1F ZINC000172012903 134264172 /nfs/dbraw/zinc/26/41/72/134264172.db2.gz IXQOVTHIIJOHKQ-LBPRGKRZSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cc(F)ccc1F ZINC000172012903 134264173 /nfs/dbraw/zinc/26/41/73/134264173.db2.gz IXQOVTHIIJOHKQ-LBPRGKRZSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1cccc2[nH+]c(CSc3ncc[nH]3)cn21 ZINC000172929965 134270767 /nfs/dbraw/zinc/27/07/67/134270767.db2.gz OTGDMZIZAJOASM-UHFFFAOYSA-N 1 2 244.323 2.658 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000177489694 134298728 /nfs/dbraw/zinc/29/87/28/134298728.db2.gz JETVYFIDJGGCJA-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000177489694 134298729 /nfs/dbraw/zinc/29/87/29/134298729.db2.gz JETVYFIDJGGCJA-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO CCC[C@H]1CCCC[N@@H+]1Cc1noc(CC)n1 ZINC000179521348 134321036 /nfs/dbraw/zinc/32/10/36/134321036.db2.gz GGSVEASGOOSAOG-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCC[C@H]1CCCC[N@H+]1Cc1noc(CC)n1 ZINC000179521348 134321037 /nfs/dbraw/zinc/32/10/37/134321037.db2.gz GGSVEASGOOSAOG-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO Cc1nc(C[NH2+]C(C)(C)c2cccc(C)c2)no1 ZINC000179587051 134322197 /nfs/dbraw/zinc/32/21/97/134322197.db2.gz MQUODKOYHDMZFB-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000181129837 134336537 /nfs/dbraw/zinc/33/65/37/134336537.db2.gz VASXVOSNZCNMGP-ZDUSSCGKSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000181129837 134336538 /nfs/dbraw/zinc/33/65/38/134336538.db2.gz VASXVOSNZCNMGP-ZDUSSCGKSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000181129853 134336849 /nfs/dbraw/zinc/33/68/49/134336849.db2.gz VASXVOSNZCNMGP-CYBMUJFWSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000181129853 134336850 /nfs/dbraw/zinc/33/68/50/134336850.db2.gz VASXVOSNZCNMGP-CYBMUJFWSA-N 1 2 247.367 2.819 20 0 BFADLO Clc1cnc(C[NH2+]Cc2ccco2)s1 ZINC000225295610 134351985 /nfs/dbraw/zinc/35/19/85/134351985.db2.gz AVEWZALOFJNBLR-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO c1nc(C[NH2+][C@@H]2COCc3ccccc32)cs1 ZINC000225999957 134358198 /nfs/dbraw/zinc/35/81/98/134358198.db2.gz RBSOVHDPWYIQHN-CYBMUJFWSA-N 1 2 246.335 2.504 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(O)c(C)c1 ZINC000227027514 134373781 /nfs/dbraw/zinc/37/37/81/134373781.db2.gz WXUWHQNULHQFEI-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO CC(C)C[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000185217749 134375771 /nfs/dbraw/zinc/37/57/71/134375771.db2.gz VTZBFJIETRVNKQ-NSHDSACASA-N 1 2 249.358 2.768 20 0 BFADLO CCOC[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000227900824 134398633 /nfs/dbraw/zinc/39/86/33/134398633.db2.gz JTDHLYOXBGXUMX-NSHDSACASA-N 1 2 243.297 2.793 20 0 BFADLO FC(F)(C[NH2+][C@@H]1CCCOC1)c1ccccc1 ZINC000227901835 134398976 /nfs/dbraw/zinc/39/89/76/134398976.db2.gz LKBHGTSTXYZWKW-GFCCVEGCSA-N 1 2 241.281 2.547 20 0 BFADLO Cn1c[nH+]cc1CNc1nccc2sccc21 ZINC000158956996 134757174 /nfs/dbraw/zinc/75/71/74/134757174.db2.gz NWYAERDDPMZSRM-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO CCO[C@@H](C)c1nc(C[NH+]2CCCC2)cs1 ZINC000076715270 135048148 /nfs/dbraw/zinc/04/81/48/135048148.db2.gz PLDYZEKMKGGCAD-JTQLQIEISA-N 1 2 240.372 2.836 20 0 BFADLO FC(F)n1cc[nH+]c1Cn1cnc2ccccc21 ZINC000078386582 135123287 /nfs/dbraw/zinc/12/32/87/135123287.db2.gz GXIYYRKOQIAQCM-UHFFFAOYSA-N 1 2 248.236 2.676 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC000253603708 135127849 /nfs/dbraw/zinc/12/78/49/135127849.db2.gz KNYAMFAOFHHTJX-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)[C@@H](C)CO1 ZINC000253603708 135127850 /nfs/dbraw/zinc/12/78/50/135127850.db2.gz KNYAMFAOFHHTJX-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO CC(C)OCCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000342783480 135317363 /nfs/dbraw/zinc/31/73/63/135317363.db2.gz STBPNVNUZSYNFJ-UHFFFAOYSA-N 1 2 247.342 2.814 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)nc1 ZINC000334170933 135318723 /nfs/dbraw/zinc/31/87/23/135318723.db2.gz BCFFLQNXSUMARF-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)nc1 ZINC000334170933 135318725 /nfs/dbraw/zinc/31/87/25/135318725.db2.gz BCFFLQNXSUMARF-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@H](C)c2ccco2)n1C ZINC000342795038 135319206 /nfs/dbraw/zinc/31/92/06/135319206.db2.gz VVFJBJYVBKCFDA-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO CC[N@H+](Cc1ncc(C)n1C)Cc1ccccc1 ZINC000342794659 135319980 /nfs/dbraw/zinc/31/99/80/135319980.db2.gz VBMUPINASILLCS-UHFFFAOYSA-N 1 2 243.354 2.751 20 0 BFADLO CC[N@@H+](Cc1ncc(C)n1C)Cc1ccccc1 ZINC000342794659 135319982 /nfs/dbraw/zinc/31/99/82/135319982.db2.gz VBMUPINASILLCS-UHFFFAOYSA-N 1 2 243.354 2.751 20 0 BFADLO CCN(Cc1[nH+]cc(C)n1C)Cc1ccccc1 ZINC000342794659 135319983 /nfs/dbraw/zinc/31/99/83/135319983.db2.gz VBMUPINASILLCS-UHFFFAOYSA-N 1 2 243.354 2.751 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)n1 ZINC000334164677 135323057 /nfs/dbraw/zinc/32/30/57/135323057.db2.gz AFCYKMJKNKSWSJ-RNCFNFMXSA-N 1 2 243.310 2.716 20 0 BFADLO CC(C)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000334226798 135330490 /nfs/dbraw/zinc/33/04/90/135330490.db2.gz NHJGINNGOAKZJS-UHFFFAOYSA-N 1 2 243.310 2.682 20 0 BFADLO Cc1nc(N2CCC[C@H](F)C2)c2c([nH+]1)CCCC2 ZINC000343073711 135356463 /nfs/dbraw/zinc/35/64/63/135356463.db2.gz VAYVXRNTZWKDTI-NSHDSACASA-N 1 2 249.333 2.602 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1nc2ccccc2o1 ZINC000334359836 135371461 /nfs/dbraw/zinc/37/14/61/135371461.db2.gz XHORKLRIHJPAJD-SNVBAGLBSA-N 1 2 234.274 2.762 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1nc2ccccc2o1 ZINC000334359836 135371463 /nfs/dbraw/zinc/37/14/63/135371463.db2.gz XHORKLRIHJPAJD-SNVBAGLBSA-N 1 2 234.274 2.762 20 0 BFADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000334376500 135376444 /nfs/dbraw/zinc/37/64/44/135376444.db2.gz VTZQKWKVOJIZRX-XPTSAGLGSA-N 1 2 245.301 2.572 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000334380772 135380022 /nfs/dbraw/zinc/38/00/22/135380022.db2.gz IXNUHUGWQLNHOD-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000334380772 135380024 /nfs/dbraw/zinc/38/00/24/135380024.db2.gz IXNUHUGWQLNHOD-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO Clc1ccccc1CN1CCn2cc[nH+]c2C1 ZINC000334401059 135390309 /nfs/dbraw/zinc/39/03/09/135390309.db2.gz NIBMYJVOIRGVSU-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC(C3CCC3)C2)[nH+]1 ZINC000334417176 135398747 /nfs/dbraw/zinc/39/87/47/135398747.db2.gz QSQVOSOYKWOSQU-UHFFFAOYSA-N 1 2 242.326 2.503 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccn(C(F)F)n1 ZINC000347730503 136004127 /nfs/dbraw/zinc/00/41/27/136004127.db2.gz XEYAVOUQEMDEIX-UHFFFAOYSA-N 1 2 241.241 2.503 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccn(C(F)F)n1 ZINC000347730503 136004128 /nfs/dbraw/zinc/00/41/28/136004128.db2.gz XEYAVOUQEMDEIX-UHFFFAOYSA-N 1 2 241.241 2.503 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncc(C)cn2)c(C)o1 ZINC000348106860 136036932 /nfs/dbraw/zinc/03/69/32/136036932.db2.gz GUXFNZSCPCOCBG-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2CC[C@H](F)C2)c1 ZINC000335348534 136067506 /nfs/dbraw/zinc/06/75/06/136067506.db2.gz MEGVUMMWIWWBAR-NSHDSACASA-N 1 2 234.249 2.922 20 0 BFADLO Cc1cc(N(C)Cc2ccon2)nc(C(C)C)[nH+]1 ZINC000348346800 136071501 /nfs/dbraw/zinc/07/15/01/136071501.db2.gz HISNNQPJFUTAFE-UHFFFAOYSA-N 1 2 246.314 2.533 20 0 BFADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1=CCC1 ZINC000335366454 136081625 /nfs/dbraw/zinc/08/16/25/136081625.db2.gz ALKDPRUUNJBMAC-UHFFFAOYSA-N 1 2 239.278 2.531 20 0 BFADLO CCc1cccc(F)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000348673650 136113266 /nfs/dbraw/zinc/11/32/66/136113266.db2.gz NHXBYZOEFLXGDV-NSHDSACASA-N 1 2 237.318 2.609 20 0 BFADLO CCc1cccc(F)c1C[N@H+]1CCO[C@@H](C)C1 ZINC000348673650 136113267 /nfs/dbraw/zinc/11/32/67/136113267.db2.gz NHXBYZOEFLXGDV-NSHDSACASA-N 1 2 237.318 2.609 20 0 BFADLO Cc1ccc(Cn2cnc(C(C)(C)C)n2)c(C)[nH+]1 ZINC000335598335 136114014 /nfs/dbraw/zinc/11/40/14/136114014.db2.gz YMZOJUQZBKAJLZ-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOC(C)C ZINC000190765658 397887461 /nfs/dbraw/zinc/88/74/61/397887461.db2.gz AXRZQWPVBAOKAV-UHFFFAOYSA-N 1 2 223.316 2.756 20 0 BFADLO CCC[N@H+](C[C@@H](F)CC)[C@H](CC)C(=O)OCC ZINC000440527857 397931318 /nfs/dbraw/zinc/93/13/18/397931318.db2.gz UBKOFMQMWITREO-NWDGAFQWSA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@@H+](C[C@@H](F)CC)[C@H](CC)C(=O)OCC ZINC000440527857 397931322 /nfs/dbraw/zinc/93/13/22/397931322.db2.gz UBKOFMQMWITREO-NWDGAFQWSA-N 1 2 247.354 2.788 20 0 BFADLO Cc1cc(NC2CC(C)(F)C2)nc(C(C)C)[nH+]1 ZINC000450583857 397939870 /nfs/dbraw/zinc/93/98/70/397939870.db2.gz WBVNNAYMEYSHDC-UHFFFAOYSA-N 1 2 237.322 2.633 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)[C@@H](C)O1 ZINC000449231096 397952595 /nfs/dbraw/zinc/95/25/95/397952595.db2.gz CLGWFYRLHZXNTM-UEKVPHQBSA-N 1 2 246.354 2.938 20 0 BFADLO CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000493478692 397954233 /nfs/dbraw/zinc/95/42/33/397954233.db2.gz HXGREHRXCINUBF-MEJMFZKBSA-N 1 2 247.342 2.508 20 0 BFADLO Clc1ccc(C2C[NH+](Cc3cocn3)C2)cc1 ZINC000449555518 397956036 /nfs/dbraw/zinc/95/60/36/397956036.db2.gz HOYXWPAJVUPVCC-UHFFFAOYSA-N 1 2 248.713 2.927 20 0 BFADLO CC[C@H](C)n1ncc(NCc2c[nH+]cn2C)c1C ZINC000359789233 397958552 /nfs/dbraw/zinc/95/85/52/397958552.db2.gz CDJJALOFJIWCET-JTQLQIEISA-N 1 2 247.346 2.508 20 0 BFADLO CSc1cccnc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000628325546 397922713 /nfs/dbraw/zinc/92/27/13/397922713.db2.gz RCTFGWKHBPQIQT-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO CCCn1cc(CNc2c[nH+]ccc2CC)cn1 ZINC000650242892 398005250 /nfs/dbraw/zinc/00/52/50/398005250.db2.gz BBSRJLLSDBBDIH-UHFFFAOYSA-N 1 2 244.342 2.863 20 0 BFADLO CCc1nnc(C[N@@H+]2CCC23CCCC3)s1 ZINC000649657559 398024369 /nfs/dbraw/zinc/02/43/69/398024369.db2.gz DUBCYPJCIVCQNP-UHFFFAOYSA-N 1 2 237.372 2.619 20 0 BFADLO CCc1nnc(C[N@H+]2CCC23CCCC3)s1 ZINC000649657559 398024370 /nfs/dbraw/zinc/02/43/70/398024370.db2.gz DUBCYPJCIVCQNP-UHFFFAOYSA-N 1 2 237.372 2.619 20 0 BFADLO Cn1c[nH+]cc1CN1Cc2ccc(Cl)cc2C1 ZINC000334793012 398037368 /nfs/dbraw/zinc/03/73/68/398037368.db2.gz PXQTVIQRBWHUMO-UHFFFAOYSA-N 1 2 247.729 2.589 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1noc(C)n1 ZINC000278578920 398038630 /nfs/dbraw/zinc/03/86/30/398038630.db2.gz JZNWNFFYDMCSPS-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1noc(C)n1 ZINC000278578920 398038635 /nfs/dbraw/zinc/03/86/35/398038635.db2.gz JZNWNFFYDMCSPS-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1cc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)nc[nH+]1 ZINC000624444393 398092319 /nfs/dbraw/zinc/09/23/19/398092319.db2.gz BGJVNWXPQTUXEF-DTORHVGOSA-N 1 2 241.285 2.513 20 0 BFADLO FC[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000334408238 398089288 /nfs/dbraw/zinc/08/92/88/398089288.db2.gz RQMFNZNQUJSSHD-VIFPVBQESA-N 1 2 219.263 2.501 20 0 BFADLO CC(C)(C)CCCC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647736343 398096145 /nfs/dbraw/zinc/09/61/45/398096145.db2.gz KUBVRBSOGOQNLD-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CC(C)(C)CCCC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647736343 398096146 /nfs/dbraw/zinc/09/61/46/398096146.db2.gz KUBVRBSOGOQNLD-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cscn1 ZINC000649715115 398056517 /nfs/dbraw/zinc/05/65/17/398056517.db2.gz TUGVIPMCXZLYGF-LLVKDONJSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cscn1 ZINC000649715115 398056523 /nfs/dbraw/zinc/05/65/23/398056523.db2.gz TUGVIPMCXZLYGF-LLVKDONJSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000088495749 171293825 /nfs/dbraw/zinc/29/38/25/171293825.db2.gz FUHOJTDYMORATQ-ZETCQYMHSA-N 1 2 211.334 2.505 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000245903943 398118936 /nfs/dbraw/zinc/11/89/36/398118936.db2.gz LOVYWGPBJKUAGL-WDEREUQCSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H](C)[C@H](C)C2)no1 ZINC000245903943 398118939 /nfs/dbraw/zinc/11/89/39/398118939.db2.gz LOVYWGPBJKUAGL-WDEREUQCSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000244239228 398121233 /nfs/dbraw/zinc/12/12/33/398121233.db2.gz WFZLDRQRWHOQRK-UHFFFAOYSA-N 1 2 220.320 2.509 20 0 BFADLO CC(C)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000244239228 398121237 /nfs/dbraw/zinc/12/12/37/398121237.db2.gz WFZLDRQRWHOQRK-UHFFFAOYSA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N(c2cc(CO)cc[nH+]2)C1 ZINC000310243080 398130425 /nfs/dbraw/zinc/13/04/25/398130425.db2.gz MDPDNSOBDNQZBU-VXGBXAGGSA-N 1 2 234.343 2.589 20 0 BFADLO CS[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000295050364 398131608 /nfs/dbraw/zinc/13/16/08/398131608.db2.gz ULPBQBXJSKULQU-SECBINFHSA-N 1 2 233.340 2.505 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H](C)C2CC2)[nH+]1 ZINC000674336421 487562088 /nfs/dbraw/zinc/56/20/88/487562088.db2.gz GQODUWPBDYMAHJ-QMMMGPOBSA-N 1 2 230.315 2.724 20 0 BFADLO CCc1cc(C)nc(Nc2ccc(NC)[nH+]c2)n1 ZINC000680332704 487566041 /nfs/dbraw/zinc/56/60/41/487566041.db2.gz OPQNFPBNMORWJO-UHFFFAOYSA-N 1 2 243.314 2.528 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccncc1 ZINC000680364720 487574909 /nfs/dbraw/zinc/57/49/09/487574909.db2.gz PHXDMCVSCRFWJJ-GFCCVEGCSA-N 1 2 231.299 2.619 20 0 BFADLO Cc1ncc(CNc2cc[nH+]c(C(C)(C)C)n2)o1 ZINC000665736365 487580312 /nfs/dbraw/zinc/58/03/12/487580312.db2.gz YDKLNCWDCSHLMC-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccsc2)o1 ZINC000393800407 487584290 /nfs/dbraw/zinc/58/42/90/487584290.db2.gz RVKORHQKDOKJAC-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C2CC2)s1 ZINC000585379941 487584503 /nfs/dbraw/zinc/58/45/03/487584503.db2.gz QYHJPMFDRXTAIV-WDEREUQCSA-N 1 2 247.367 2.708 20 0 BFADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C2CC2)s1 ZINC000585379941 487584509 /nfs/dbraw/zinc/58/45/09/487584509.db2.gz QYHJPMFDRXTAIV-WDEREUQCSA-N 1 2 247.367 2.708 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC12CC2 ZINC000669390970 487596645 /nfs/dbraw/zinc/59/66/45/487596645.db2.gz PYCMLIAHQUJIPB-NSHDSACASA-N 1 2 245.326 2.620 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccco2)C[C@](C)(C(F)F)O1 ZINC000668823077 487601532 /nfs/dbraw/zinc/60/15/32/487601532.db2.gz GBWUCJPVRSMFDJ-JOYOIKCWSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccco2)C[C@](C)(C(F)F)O1 ZINC000668823077 487601534 /nfs/dbraw/zinc/60/15/34/487601534.db2.gz GBWUCJPVRSMFDJ-JOYOIKCWSA-N 1 2 245.269 2.524 20 0 BFADLO Cc1ccnc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000683002054 487605886 /nfs/dbraw/zinc/60/58/86/487605886.db2.gz WVHINULPVMXKED-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccnc(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000683002054 487605888 /nfs/dbraw/zinc/60/58/88/487605888.db2.gz WVHINULPVMXKED-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO C[C@@H](Nc1cc(C(C)(C)C)ncn1)c1[nH]cc[nH+]1 ZINC000310984131 487609003 /nfs/dbraw/zinc/60/90/03/487609003.db2.gz GLWOPQYDAOTCFW-SECBINFHSA-N 1 2 245.330 2.670 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@H](C)C1 ZINC000651979176 410111561 /nfs/dbraw/zinc/11/15/61/410111561.db2.gz AHSLHOMCOZQVJA-ZYHUDNBSSA-N 1 2 220.316 2.623 20 0 BFADLO CC(C)(CC[N@@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412116 410622817 /nfs/dbraw/zinc/62/28/17/410622817.db2.gz DMNVZYBTFRLIEZ-LLVKDONJSA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)(CC[N@H+]1CC[C@@H](O)C(F)(F)C1)C1CC1 ZINC000661412116 410622821 /nfs/dbraw/zinc/62/28/21/410622821.db2.gz DMNVZYBTFRLIEZ-LLVKDONJSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661415292 410629022 /nfs/dbraw/zinc/62/90/22/410629022.db2.gz XNXRDFAVZQDNGI-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661415292 410629026 /nfs/dbraw/zinc/62/90/26/410629026.db2.gz XNXRDFAVZQDNGI-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000133032715 167149268 /nfs/dbraw/zinc/14/92/68/167149268.db2.gz KTAPBIAABNEHMB-UHFFFAOYSA-N 1 2 245.326 2.782 20 0 BFADLO CC(C)O[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000337558411 167281327 /nfs/dbraw/zinc/28/13/27/167281327.db2.gz SWDCJZOCVWMJEJ-NXEZZACHSA-N 1 2 247.329 2.966 20 0 BFADLO Cc1nc(N2CCCC(F)(F)C2)c(C)c(C)[nH+]1 ZINC000651384680 410967204 /nfs/dbraw/zinc/96/72/04/410967204.db2.gz CHDTWROCNGOSPR-UHFFFAOYSA-N 1 2 241.285 2.637 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000651421839 411009661 /nfs/dbraw/zinc/00/96/61/411009661.db2.gz SUWINMTZAFAHEP-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO CC(C)c1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000045041154 167599199 /nfs/dbraw/zinc/59/91/99/167599199.db2.gz NGZQLUOHPDEFRB-UHFFFAOYSA-N 1 2 247.367 2.951 20 0 BFADLO CC(C)c1nc(C[NH2+][C@H](C)CF)c2ccccn21 ZINC000651812342 411144918 /nfs/dbraw/zinc/14/49/18/411144918.db2.gz VJOJNXCGOHRSOZ-LLVKDONJSA-N 1 2 249.333 2.905 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cncs2)[C@H](CC)CO1 ZINC000651912831 411149987 /nfs/dbraw/zinc/14/99/87/411149987.db2.gz FXODBHPTNKNEAP-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cncs2)[C@H](CC)CO1 ZINC000651912831 411149988 /nfs/dbraw/zinc/14/99/88/411149988.db2.gz FXODBHPTNKNEAP-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1nccc(N)n1 ZINC000653663135 411160873 /nfs/dbraw/zinc/16/08/73/411160873.db2.gz FALHQFBTZCTGRS-DTWKUNHWSA-N 1 2 248.355 2.532 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)CC2CC2)c1 ZINC000652067951 411104705 /nfs/dbraw/zinc/10/47/05/411104705.db2.gz MLWRAEPIWMWTFK-JTQLQIEISA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H]2C)c1 ZINC000652068567 411105098 /nfs/dbraw/zinc/10/50/98/411105098.db2.gz HMFDVENCHUQAGO-JQWIXIFHSA-N 1 2 220.316 2.829 20 0 BFADLO CCC(=O)N1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC000425507958 411178314 /nfs/dbraw/zinc/17/83/14/411178314.db2.gz HEFCUHBFQVGIIT-CYBMUJFWSA-N 1 2 246.354 2.568 20 0 BFADLO CCC(=O)N1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC000425507958 411178319 /nfs/dbraw/zinc/17/83/19/411178319.db2.gz HEFCUHBFQVGIIT-CYBMUJFWSA-N 1 2 246.354 2.568 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1ccc(C)s1 ZINC000656109905 411180279 /nfs/dbraw/zinc/18/02/79/411180279.db2.gz ILXSJVNYECGTMA-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO CCC[C@H](CC)Nc1nc[nH+]c(C)c1OC ZINC000656112670 411181191 /nfs/dbraw/zinc/18/11/91/411181191.db2.gz HNXCPQFHOIQKFH-JTQLQIEISA-N 1 2 223.320 2.784 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1nc[nH+]c(C)c1OC ZINC000656127693 411183220 /nfs/dbraw/zinc/18/32/20/411183220.db2.gz WSQGDFGKAREZPQ-DTWKUNHWSA-N 1 2 223.320 2.640 20 0 BFADLO COc1c(C)[nH+]cnc1NCC1(C2CC2)CCC1 ZINC000656150428 411186990 /nfs/dbraw/zinc/18/69/90/411186990.db2.gz RKGFBDABVFUAFV-UHFFFAOYSA-N 1 2 247.342 2.786 20 0 BFADLO COc1c(C)[nH+]cnc1NCCC1=CCCC1 ZINC000656149590 411187094 /nfs/dbraw/zinc/18/70/94/411187094.db2.gz DEILQCSZBJIKKL-UHFFFAOYSA-N 1 2 233.315 2.706 20 0 BFADLO CC[C@@H](C[NH+]1Cc2cc(F)c(F)cc2C1)OC ZINC000653831220 411195558 /nfs/dbraw/zinc/19/55/58/411195558.db2.gz ZSIPUIWWXWPZPF-NSHDSACASA-N 1 2 241.281 2.705 20 0 BFADLO COCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830499 411195603 /nfs/dbraw/zinc/19/56/03/411195603.db2.gz BMSJYWJSBXJPIZ-UHFFFAOYSA-N 1 2 241.281 2.707 20 0 BFADLO CC[C@H](C[NH+]1Cc2cc(F)c(F)cc2C1)OC ZINC000653831219 411195974 /nfs/dbraw/zinc/19/59/74/411195974.db2.gz ZSIPUIWWXWPZPF-LLVKDONJSA-N 1 2 241.281 2.705 20 0 BFADLO FCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653833855 411196487 /nfs/dbraw/zinc/19/64/87/411196487.db2.gz XOZDOZQFPJAIQP-UHFFFAOYSA-N 1 2 215.218 2.640 20 0 BFADLO CC1(Nc2cc[nH+]c(C3CC3)n2)CC=CC1 ZINC000656208863 411209512 /nfs/dbraw/zinc/20/95/12/411209512.db2.gz WEAOHSKQXPJTTJ-UHFFFAOYSA-N 1 2 215.300 2.875 20 0 BFADLO Cc1nnc(NCCc2[nH+]cc(C)cc2C)s1 ZINC000656210723 411210657 /nfs/dbraw/zinc/21/06/57/411210657.db2.gz FRIIEFOBUFARNT-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1nsc(NCCc2[nH+]cc(C)cc2C)n1 ZINC000656211040 411210715 /nfs/dbraw/zinc/21/07/15/411210715.db2.gz NWSJGTWCQGRPDV-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO COCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000656213813 411211541 /nfs/dbraw/zinc/21/15/41/411211541.db2.gz IMJMOOZUDGZCDJ-UHFFFAOYSA-N 1 2 247.342 2.501 20 0 BFADLO CC1=CC[C@](C)(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000659293086 411213730 /nfs/dbraw/zinc/21/37/30/411213730.db2.gz CRKFVPUKQYZPGB-AWEZNQCLSA-N 1 2 245.326 2.739 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@@H]1CCCCO1 ZINC000656228442 411213759 /nfs/dbraw/zinc/21/37/59/411213759.db2.gz QECZEIVKKWEQAZ-NEPJUHHUSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@H](Nc1cccc[nH+]1)[C@@H]1CCCCO1 ZINC000656229472 411214569 /nfs/dbraw/zinc/21/45/69/411214569.db2.gz WSAHBPBNURFAGV-RYUDHWBXSA-N 1 2 220.316 2.841 20 0 BFADLO c1c(C[NH+]2CC3(C2)CCCC3)nn2c1CCCC2 ZINC000656260155 411219054 /nfs/dbraw/zinc/21/90/54/411219054.db2.gz JJYZEYRJOQNBLL-UHFFFAOYSA-N 1 2 245.370 2.595 20 0 BFADLO Cc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1F ZINC000656265696 411221978 /nfs/dbraw/zinc/22/19/78/411221978.db2.gz XISRUKNJRLTBDT-UHFFFAOYSA-N 1 2 241.256 2.975 20 0 BFADLO Cc1cc[nH+]cc1Cn1cc(C2CCC2)cn1 ZINC000655689687 411233180 /nfs/dbraw/zinc/23/31/80/411233180.db2.gz KBRKNVVPWXLMSJ-UHFFFAOYSA-N 1 2 227.311 2.902 20 0 BFADLO CCOCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000656371607 411237030 /nfs/dbraw/zinc/23/70/30/411237030.db2.gz KCWJBWGEXTZGHN-UHFFFAOYSA-N 1 2 216.284 2.624 20 0 BFADLO Cc1cc(C(F)(F)F)ncc1-c1[nH+]ccn1C ZINC000656371822 411238197 /nfs/dbraw/zinc/23/81/97/411238197.db2.gz XAXJJYZYRQDEHM-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO Cn1cc[nH+]c1-c1ccc(OC(C)(C)C)nc1 ZINC000656371715 411238371 /nfs/dbraw/zinc/23/83/71/411238371.db2.gz QJUPJAZYJBWYBS-UHFFFAOYSA-N 1 2 231.299 2.659 20 0 BFADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831116 411165285 /nfs/dbraw/zinc/16/52/85/411165285.db2.gz XMLSBKQPJOSXDP-BXKDBHETSA-N 1 2 241.294 2.671 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cscn2)cn1 ZINC000656683374 411327276 /nfs/dbraw/zinc/32/72/76/411327276.db2.gz YWNUCXJRKVILSN-VHSXEESVSA-N 1 2 248.355 2.653 20 0 BFADLO CCc1nocc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688390 411328865 /nfs/dbraw/zinc/32/88/65/411328865.db2.gz MXFWYZDUUHRRCN-UHFFFAOYSA-N 1 2 248.248 2.621 20 0 BFADLO CCc1cnc(C[NH+]2CC3(CC(F)C3)C2)s1 ZINC000656695544 411333183 /nfs/dbraw/zinc/33/31/83/411333183.db2.gz KXGASHDBZKMYIU-UHFFFAOYSA-N 1 2 240.347 2.639 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cnccc2C)co1 ZINC000660241828 411304152 /nfs/dbraw/zinc/30/41/52/411304152.db2.gz ICOSNLQKUHPWHC-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO COc1cc(F)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC000656691976 411331250 /nfs/dbraw/zinc/33/12/50/411331250.db2.gz RCONUOAYHJCXDW-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000654011699 411314365 /nfs/dbraw/zinc/31/43/65/411314365.db2.gz FKVMODXJQJYAHK-RGEGJOEESA-N 1 2 245.326 2.528 20 0 BFADLO CCn1ccc(NCc2ccc(C)[nH+]c2C)n1 ZINC000656661591 411319437 /nfs/dbraw/zinc/31/94/37/411319437.db2.gz YGGFTVGDRBSDEF-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO COC[C@@H](C)[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000656679472 411320874 /nfs/dbraw/zinc/32/08/74/411320874.db2.gz JEIPUYFEYSUUTB-SECBINFHSA-N 1 2 247.260 2.542 20 0 BFADLO C[C@H](O)C[N@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653750364 411321531 /nfs/dbraw/zinc/32/15/31/411321531.db2.gz CHTHXARXWDWHTM-JTQLQIEISA-N 1 2 249.345 2.761 20 0 BFADLO C[C@H](O)C[N@@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653750364 411321536 /nfs/dbraw/zinc/32/15/36/411321536.db2.gz CHTHXARXWDWHTM-JTQLQIEISA-N 1 2 249.345 2.761 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000045752001 411248823 /nfs/dbraw/zinc/24/88/23/411248823.db2.gz VOXHNSDBPRDBNQ-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000045752001 411248825 /nfs/dbraw/zinc/24/88/25/411248825.db2.gz VOXHNSDBPRDBNQ-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO Cc1ncncc1[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000655769070 411251635 /nfs/dbraw/zinc/25/16/35/411251635.db2.gz UDHFUOADPAYNMD-ONGXEEELSA-N 1 2 241.285 2.623 20 0 BFADLO CC(C)[N@H+](Cc1csnn1)Cc1ccccc1 ZINC000127770869 411252562 /nfs/dbraw/zinc/25/25/62/411252562.db2.gz QEMBPNBHWKALGI-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1csnn1)Cc1ccccc1 ZINC000127770869 411252563 /nfs/dbraw/zinc/25/25/63/411252563.db2.gz QEMBPNBHWKALGI-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO Cc1cncc(NCc2[nH+]ccn2C(C)C)c1 ZINC000656773449 411354312 /nfs/dbraw/zinc/35/43/12/411354312.db2.gz YTEAUTOXVIOCAF-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CC(C)c1nsc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125262831 411357199 /nfs/dbraw/zinc/35/71/99/411357199.db2.gz HCGUIWUSQQUNDP-SSDOTTSWSA-N 1 2 237.332 2.558 20 0 BFADLO CC(C)c1nnc(NCc2[nH+]ccn2C(C)C)o1 ZINC000656768339 411363583 /nfs/dbraw/zinc/36/35/83/411363583.db2.gz JEVARRKZEHXFJL-UHFFFAOYSA-N 1 2 249.318 2.583 20 0 BFADLO Cc1ccncc1NCc1[nH+]ccn1C(C)C ZINC000656771148 411365097 /nfs/dbraw/zinc/36/50/97/411365097.db2.gz JGQKDDHXKZVHKI-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1cc[nH+]cc1NCc1nccn1C(C)C ZINC000656771148 411365099 /nfs/dbraw/zinc/36/50/99/411365099.db2.gz JGQKDDHXKZVHKI-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1cc(NC(=O)N2CCC(C)=C(C)C2)cc[nH+]1 ZINC000280745007 168081301 /nfs/dbraw/zinc/08/13/01/168081301.db2.gz FLLGGFIGGPZJJW-UHFFFAOYSA-N 1 2 245.326 2.964 20 0 BFADLO CC1=C(C)C[N@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000361109448 168085994 /nfs/dbraw/zinc/08/59/94/168085994.db2.gz MVSUJFOLDSGTPO-UHFFFAOYSA-N 1 2 241.285 2.820 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2ccn(C(F)F)n2)CC1 ZINC000361109448 168085996 /nfs/dbraw/zinc/08/59/96/168085996.db2.gz MVSUJFOLDSGTPO-UHFFFAOYSA-N 1 2 241.285 2.820 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC=C(C)CC1 ZINC000287425411 168107528 /nfs/dbraw/zinc/10/75/28/168107528.db2.gz GGVOIGLEYSLXNO-UHFFFAOYSA-N 1 2 245.326 2.882 20 0 BFADLO CC1=CC[N@H+](Cc2cn3ccsc3n2)CC1 ZINC000336438628 168114714 /nfs/dbraw/zinc/11/47/14/168114714.db2.gz RGELQOKYXBXILH-UHFFFAOYSA-N 1 2 233.340 2.548 20 0 BFADLO CC1=CC[N@@H+](Cc2cn3ccsc3n2)CC1 ZINC000336438628 168114715 /nfs/dbraw/zinc/11/47/15/168114715.db2.gz RGELQOKYXBXILH-UHFFFAOYSA-N 1 2 233.340 2.548 20 0 BFADLO CCC(C)(C)CC[N@H+](C)Cc1noc(C)n1 ZINC000359521614 168276734 /nfs/dbraw/zinc/27/67/34/168276734.db2.gz OACPOESXOLWCHV-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO CCC(C)(C)CC[N@@H+](C)Cc1noc(C)n1 ZINC000359521614 168276737 /nfs/dbraw/zinc/27/67/37/168276737.db2.gz OACPOESXOLWCHV-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)nc2)no1 ZINC000282608200 411455010 /nfs/dbraw/zinc/45/50/10/411455010.db2.gz IASMAOCMZZVQII-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO CSc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000659812759 411459744 /nfs/dbraw/zinc/45/97/44/411459744.db2.gz SXPZUCNKIWEUSQ-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO CSc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000659812759 411459746 /nfs/dbraw/zinc/45/97/46/411459746.db2.gz SXPZUCNKIWEUSQ-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2nccs2)c1 ZINC000404707702 411405257 /nfs/dbraw/zinc/40/52/57/411405257.db2.gz QBPUMXJLDKIQLU-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CCC1(Nc2cc[nH+]c(C)n2)CCCC1 ZINC000382530911 411409630 /nfs/dbraw/zinc/40/96/30/411409630.db2.gz AKLNTTAPOCHEBY-UHFFFAOYSA-N 1 2 205.305 2.920 20 0 BFADLO CC(C)c1nnc2n1CC[N@H+](C1CCCC1)[C@@H]2C ZINC000189545675 411416011 /nfs/dbraw/zinc/41/60/11/411416011.db2.gz SGSCBOCUTTVQAK-LLVKDONJSA-N 1 2 248.374 2.721 20 0 BFADLO CC(C)c1nnc2n1CC[N@@H+](C1CCCC1)[C@@H]2C ZINC000189545675 411416016 /nfs/dbraw/zinc/41/60/16/411416016.db2.gz SGSCBOCUTTVQAK-LLVKDONJSA-N 1 2 248.374 2.721 20 0 BFADLO CC(C)[C@@H]1OCCC[C@H]1CNc1cccc[nH+]1 ZINC000267691969 411422101 /nfs/dbraw/zinc/42/21/01/411422101.db2.gz QQGRYYQHNFIXIU-JSGCOSHPSA-N 1 2 234.343 2.945 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SCCC1CCC1 ZINC000657243642 411424698 /nfs/dbraw/zinc/42/46/98/411424698.db2.gz YZVIIATXBBLWTK-UHFFFAOYSA-N 1 2 248.355 2.646 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 ZINC000657317487 411462747 /nfs/dbraw/zinc/46/27/47/411462747.db2.gz BUIINKATLXWIGC-JOYOIKCWSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)n1 ZINC000657317482 411462845 /nfs/dbraw/zinc/46/28/45/411462845.db2.gz BUIINKATLXWIGC-BXKDBHETSA-N 1 2 245.326 2.724 20 0 BFADLO Fc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655738343 411444610 /nfs/dbraw/zinc/44/46/10/411444610.db2.gz KYFQLPPZZFWINM-GFCCVEGCSA-N 1 2 231.274 2.969 20 0 BFADLO COc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655738335 411444874 /nfs/dbraw/zinc/44/48/74/411444874.db2.gz KPLKSCLCCYBHFU-ZDUSSCGKSA-N 1 2 243.310 2.839 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)[nH]1 ZINC000659828217 411467112 /nfs/dbraw/zinc/46/71/12/411467112.db2.gz XTNLUKNOBDXRLJ-LLVKDONJSA-N 1 2 244.342 2.560 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000659828217 411467114 /nfs/dbraw/zinc/46/71/14/411467114.db2.gz XTNLUKNOBDXRLJ-LLVKDONJSA-N 1 2 244.342 2.560 20 0 BFADLO CCC[C@H]([NH2+]Cc1nc(C)c[nH]1)c1ccccn1 ZINC000657346252 411470855 /nfs/dbraw/zinc/47/08/55/411470855.db2.gz FZXLIXQSNIKQIZ-LBPRGKRZSA-N 1 2 244.342 2.744 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000293660166 411472255 /nfs/dbraw/zinc/47/22/55/411472255.db2.gz TZNSSRGAPBNWKA-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1nc2ccccc2s1 ZINC000293660166 411472259 /nfs/dbraw/zinc/47/22/59/411472259.db2.gz TZNSSRGAPBNWKA-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2cocn2)c(C)c1 ZINC000657355393 411478199 /nfs/dbraw/zinc/47/81/99/411478199.db2.gz MFQLBELTNQMQKM-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1nc(C)oc1C ZINC000659871460 411484266 /nfs/dbraw/zinc/48/42/66/411484266.db2.gz TUNZWFCHOXADOU-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1nc(C)oc1C ZINC000659871460 411484268 /nfs/dbraw/zinc/48/42/68/411484268.db2.gz TUNZWFCHOXADOU-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO Cc1nc(C[NH+]2Cc3ccccc3C2)c(C)o1 ZINC000659903928 411492392 /nfs/dbraw/zinc/49/23/92/411492392.db2.gz KPEZNJZPMTUNIT-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1c[nH]c(CNc2ccc(F)c(C)c2)[nH+]1 ZINC000657417940 411501145 /nfs/dbraw/zinc/50/11/45/411501145.db2.gz DGLJUCIAYUZOAY-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO CC[C@H](NCc1[nH+]ccn1C(C)C)C(F)(F)F ZINC000657444990 411512646 /nfs/dbraw/zinc/51/26/46/411512646.db2.gz VBAFLQQYRHNTNQ-VIFPVBQESA-N 1 2 249.280 2.895 20 0 BFADLO CC(C)n1cc[nH+]c1CN[C@@H](C)C(F)(F)F ZINC000657466583 411519226 /nfs/dbraw/zinc/51/92/26/411519226.db2.gz JKAFOWGOTOUOAI-QMMMGPOBSA-N 1 2 235.253 2.504 20 0 BFADLO Cc1[nH]c(CNC2(C(F)F)CCCC2)[nH+]c1C ZINC000657468121 411522986 /nfs/dbraw/zinc/52/29/86/411522986.db2.gz IJTHKQJCSNUCBD-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)c(C)o1 ZINC000659827234 411465296 /nfs/dbraw/zinc/46/52/96/411465296.db2.gz OHWPJFHEIKYWCQ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2)c(C)o1 ZINC000659827234 411465297 /nfs/dbraw/zinc/46/52/97/411465297.db2.gz OHWPJFHEIKYWCQ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC[N@@H+]1C[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000339566420 170034747 /nfs/dbraw/zinc/03/47/47/170034747.db2.gz AWWKXSPLUBSUOH-JSGCOSHPSA-N 1 2 238.419 2.743 20 0 BFADLO CC[N@@H+]1C[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000358102304 170035498 /nfs/dbraw/zinc/03/54/98/170035498.db2.gz TVVFYXVLAGPPCC-ZFWWWQNUSA-N 1 2 238.419 2.887 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)co1 ZINC000660192043 411552268 /nfs/dbraw/zinc/55/22/68/411552268.db2.gz PUWKZUNWQCGDLU-VIFPVBQESA-N 1 2 232.283 2.539 20 0 BFADLO CCc1ccc(C)[nH+]c1NCc1[nH]ncc1C ZINC000657580035 411554130 /nfs/dbraw/zinc/55/41/30/411554130.db2.gz TWLLSNIVGUVRAG-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)C1CCCCC1 ZINC000660213211 411554678 /nfs/dbraw/zinc/55/46/78/411554678.db2.gz BMRPGHCODMPCDH-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)C1CCCCC1 ZINC000660213211 411554679 /nfs/dbraw/zinc/55/46/79/411554679.db2.gz BMRPGHCODMPCDH-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO c1[nH+]cc(NCC2=CCCOC2)c2c1CCCC2 ZINC000657534222 411545886 /nfs/dbraw/zinc/54/58/86/411545886.db2.gz URPGBTRWEDVMKD-UHFFFAOYSA-N 1 2 244.338 2.719 20 0 BFADLO CC[NH2+]c1cc(Cl)c(OC)cc1OC ZINC000019910935 170172286 /nfs/dbraw/zinc/17/22/86/170172286.db2.gz ZXIMJQCPJHICSP-UHFFFAOYSA-N 1 2 215.680 2.789 20 0 BFADLO CCOC(=O)C1([NH2+]Cc2ccccc2)CCCC1 ZINC000037952671 170190381 /nfs/dbraw/zinc/19/03/81/170190381.db2.gz RFCRTQPBJCHSOY-UHFFFAOYSA-N 1 2 247.338 2.652 20 0 BFADLO CCOC(=O)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000128577810 170213985 /nfs/dbraw/zinc/21/39/85/170213985.db2.gz QDXILLBGNOKSMW-JLHYYAGUSA-N 1 2 247.338 2.585 20 0 BFADLO CCOC(=O)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000128577810 170213986 /nfs/dbraw/zinc/21/39/86/170213986.db2.gz QDXILLBGNOKSMW-JLHYYAGUSA-N 1 2 247.338 2.585 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1coc(C)n1 ZINC000660242543 411558346 /nfs/dbraw/zinc/55/83/46/411558346.db2.gz OSKORVQEMIPZID-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361046455 170250685 /nfs/dbraw/zinc/25/06/85/170250685.db2.gz PIXKDSJLBDKECV-SMDDNHRTSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361046455 170250687 /nfs/dbraw/zinc/25/06/87/170250687.db2.gz PIXKDSJLBDKECV-SMDDNHRTSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1cccs1 ZINC000082757985 170251301 /nfs/dbraw/zinc/25/13/01/170251301.db2.gz IPNKCLARZZQCJR-VHSXEESVSA-N 1 2 241.356 2.740 20 0 BFADLO CC[C@H]([NH2+]Cc1coc(C)n1)c1c(C)noc1C ZINC000660259182 411561155 /nfs/dbraw/zinc/56/11/55/411561155.db2.gz KHMPGXJXXRBYAK-LBPRGKRZSA-N 1 2 249.314 2.829 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000049371015 170268328 /nfs/dbraw/zinc/26/83/28/170268328.db2.gz JYHCXUJNBKNAKO-GXTWGEPZSA-N 1 2 249.354 2.925 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+](C/C=C/Cl)C1CC1 ZINC000190621112 170271696 /nfs/dbraw/zinc/27/16/96/170271696.db2.gz UISKJWOERUJGNZ-BWNDKRECSA-N 1 2 245.750 2.545 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+](C/C=C/Cl)C1CC1 ZINC000190621112 170271697 /nfs/dbraw/zinc/27/16/97/170271697.db2.gz UISKJWOERUJGNZ-BWNDKRECSA-N 1 2 245.750 2.545 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000084100729 170272349 /nfs/dbraw/zinc/27/23/49/170272349.db2.gz WKNLQYLOIOFKRP-YPMHNXCESA-N 1 2 235.327 2.679 20 0 BFADLO CCOC1(CNc2cc(C)[nH+]cn2)CCCC1 ZINC000310517117 170320128 /nfs/dbraw/zinc/32/01/28/170320128.db2.gz VQGCYEHLIQDCMB-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO CCOC1CC(Nc2ccc([NH+](C)C)cc2)C1 ZINC000128857810 170330519 /nfs/dbraw/zinc/33/05/19/170330519.db2.gz JIWINWCZHXKWSS-UHFFFAOYSA-N 1 2 234.343 2.732 20 0 BFADLO CCOC1CC([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000128857810 170330521 /nfs/dbraw/zinc/33/05/21/170330521.db2.gz JIWINWCZHXKWSS-UHFFFAOYSA-N 1 2 234.343 2.732 20 0 BFADLO CCOCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000354564447 170376479 /nfs/dbraw/zinc/37/64/79/170376479.db2.gz KOGCZUIQLICFAL-UHFFFAOYSA-N 1 2 248.301 2.634 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CCC1 ZINC000660482458 411592186 /nfs/dbraw/zinc/59/21/86/411592186.db2.gz DXRYZUWMYBQEAD-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CCC1 ZINC000660482458 411592187 /nfs/dbraw/zinc/59/21/87/411592187.db2.gz DXRYZUWMYBQEAD-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO COC[C@H](C)[NH2+]CC(F)(F)c1ccccc1C ZINC000657770081 411593396 /nfs/dbraw/zinc/59/33/96/411593396.db2.gz NXRFAUIEEXCVFC-NSHDSACASA-N 1 2 243.297 2.711 20 0 BFADLO COC[C@H](C)[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000657769029 411593899 /nfs/dbraw/zinc/59/38/99/411593899.db2.gz HVXSXUFJQOGUPE-VIFPVBQESA-N 1 2 247.260 2.542 20 0 BFADLO Cc1c[nH+]ccc1CCN1CC[C@H]1C(F)(F)F ZINC000660569284 411601598 /nfs/dbraw/zinc/60/15/98/411601598.db2.gz DAGLQRYACIFIAZ-NSHDSACASA-N 1 2 244.260 2.569 20 0 BFADLO C[N@H+](CCSc1ccccc1)Cc1cnc[nH]1 ZINC000661086459 411696596 /nfs/dbraw/zinc/69/65/96/411696596.db2.gz ZBXCICIFNMZDKQ-UHFFFAOYSA-N 1 2 247.367 2.634 20 0 BFADLO C[N@@H+](CCSc1ccccc1)Cc1cnc[nH]1 ZINC000661086459 411696600 /nfs/dbraw/zinc/69/66/00/411696600.db2.gz ZBXCICIFNMZDKQ-UHFFFAOYSA-N 1 2 247.367 2.634 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)Cc1sccc1Cl ZINC000661089700 411702352 /nfs/dbraw/zinc/70/23/52/411702352.db2.gz FSJYPQMIBDGHMX-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)Cc1sccc1Cl ZINC000661089700 411702356 /nfs/dbraw/zinc/70/23/56/411702356.db2.gz FSJYPQMIBDGHMX-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CCCCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000071552019 411746351 /nfs/dbraw/zinc/74/63/51/411746351.db2.gz SZRLAKFCYRJJBN-UHFFFAOYSA-N 1 2 245.326 2.515 20 0 BFADLO Cc1ccc(NCCCc2cccc(C)[nH+]2)nn1 ZINC000663900300 411769813 /nfs/dbraw/zinc/76/98/13/411769813.db2.gz OYLLVFCTHMMMLW-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO O[C@H]1CC[N@H+](CC2CCCCCC2)CC1(F)F ZINC000661408188 411771247 /nfs/dbraw/zinc/77/12/47/411771247.db2.gz QBRKESMZLXDNAB-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1CC[N@@H+](CC2CCCCCC2)CC1(F)F ZINC000661408188 411771249 /nfs/dbraw/zinc/77/12/49/411771249.db2.gz QBRKESMZLXDNAB-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO C[C@@H](Nc1ccnc(C(C)(C)C)n1)c1[nH]cc[nH+]1 ZINC000663929122 411778840 /nfs/dbraw/zinc/77/88/40/411778840.db2.gz CVXYIEURMPSODX-SECBINFHSA-N 1 2 245.330 2.670 20 0 BFADLO Cc1ccc(F)c(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)c1 ZINC000661540156 411800077 /nfs/dbraw/zinc/80/00/77/411800077.db2.gz YVFJOVMSOMSHDV-VXGBXAGGSA-N 1 2 249.329 2.791 20 0 BFADLO c1cc(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000664014933 411814660 /nfs/dbraw/zinc/81/46/60/411814660.db2.gz GFQBGNUWFWCAQG-GRYCIOLGSA-N 1 2 203.285 2.897 20 0 BFADLO CO[C@@H](COCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000664035002 411822050 /nfs/dbraw/zinc/82/20/50/411822050.db2.gz VJWHFMRAGLNOHH-LBPRGKRZSA-N 1 2 238.331 2.522 20 0 BFADLO CC[C@@H](C)Nc1cc(N[C@H](C)CC)[nH+]cn1 ZINC000243832514 170758749 /nfs/dbraw/zinc/75/87/49/170758749.db2.gz QZOOXFJSQBYHDK-NXEZZACHSA-N 1 2 222.336 2.897 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(OC2CC2)cc1 ZINC000664125519 411862414 /nfs/dbraw/zinc/86/24/14/411862414.db2.gz BTQMMXLGJCJPJW-UHFFFAOYSA-N 1 2 244.294 2.540 20 0 BFADLO CCC(C)(C)[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000664206521 411888065 /nfs/dbraw/zinc/88/80/65/411888065.db2.gz SGOQXXKRQJVNFP-VIFPVBQESA-N 1 2 247.346 2.600 20 0 BFADLO FC(F)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661866228 411908795 /nfs/dbraw/zinc/90/87/95/411908795.db2.gz ITOJYMSIOKRURG-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CC(C)N(Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC000662020004 411942844 /nfs/dbraw/zinc/94/28/44/411942844.db2.gz MWESYJTXTHPOOD-UHFFFAOYSA-N 1 2 247.317 2.974 20 0 BFADLO CC(C)(C)OCCCNc1cc[nH+]c(C2CC2)n1 ZINC000664360250 411931720 /nfs/dbraw/zinc/93/17/20/411931720.db2.gz ZAKXYFPQWLDZEL-UHFFFAOYSA-N 1 2 249.358 2.971 20 0 BFADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000664388040 411937607 /nfs/dbraw/zinc/93/76/07/411937607.db2.gz XZZHEXYYXPOJDP-SDDRHHMPSA-N 1 2 247.342 2.642 20 0 BFADLO CCc1cc(NC[C@@H](C)c2ccccn2)nc[nH+]1 ZINC000664148530 411873166 /nfs/dbraw/zinc/87/31/66/411873166.db2.gz LOQPXZLYNLTFGP-LLVKDONJSA-N 1 2 242.326 2.650 20 0 BFADLO CC(C)CC1([NH2+]Cc2noc(C(C)C)n2)CC1 ZINC000662068469 411970197 /nfs/dbraw/zinc/97/01/97/411970197.db2.gz HCBDUIVVCJBYHV-UHFFFAOYSA-N 1 2 237.347 2.861 20 0 BFADLO CCc1cc(NC[C@H]2C(C)(C)C2(F)F)nc[nH+]1 ZINC000664525508 411977468 /nfs/dbraw/zinc/97/74/68/411977468.db2.gz YYOBSPFJWWCAKE-VIFPVBQESA-N 1 2 241.285 2.742 20 0 BFADLO C[C@@H]1COC2(CCCC2)CN1c1cccc[nH+]1 ZINC000664532118 411980237 /nfs/dbraw/zinc/98/02/37/411980237.db2.gz QQUDNBSJCXMGKE-GFCCVEGCSA-N 1 2 232.327 2.620 20 0 BFADLO C1=C(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000664542834 411982094 /nfs/dbraw/zinc/98/20/94/411982094.db2.gz NGPCHNZTXNKAOW-UHFFFAOYSA-N 1 2 225.295 2.574 20 0 BFADLO Cc1cc(N2CCC[C@@H](C3CCC3)C2)nc[nH+]1 ZINC000664565197 411987468 /nfs/dbraw/zinc/98/74/68/411987468.db2.gz ODXWCKRJLOBMSS-CYBMUJFWSA-N 1 2 231.343 2.802 20 0 BFADLO C[C@H](Nc1ncc(Cl)s1)c1[nH+]ccn1C ZINC000664609056 411998536 /nfs/dbraw/zinc/99/85/36/411998536.db2.gz URCYOYAEQMZDFZ-LURJTMIESA-N 1 2 242.735 2.703 20 0 BFADLO C[C@@H](c1ccccc1)[C@H](O)CNc1cccc[nH+]1 ZINC000664611214 411999070 /nfs/dbraw/zinc/99/90/70/411999070.db2.gz BPSQUVBKKLXJFD-GXTWGEPZSA-N 1 2 242.322 2.658 20 0 BFADLO CC[C@@H](Nc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000664436905 411956169 /nfs/dbraw/zinc/95/61/69/411956169.db2.gz JWBYAVYAXVWKSV-LLVKDONJSA-N 1 2 232.331 2.651 20 0 BFADLO CC[C@@H](Nc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000664436905 411956172 /nfs/dbraw/zinc/95/61/72/411956172.db2.gz JWBYAVYAXVWKSV-LLVKDONJSA-N 1 2 232.331 2.651 20 0 BFADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000664437981 411957066 /nfs/dbraw/zinc/95/70/66/411957066.db2.gz QGNWWECKHYWOSJ-NSHDSACASA-N 1 2 230.315 2.867 20 0 BFADLO FC(F)(F)C[C@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000662223867 412030800 /nfs/dbraw/zinc/03/08/00/412030800.db2.gz RQUKRKIJAJZTKY-NSHDSACASA-N 1 2 249.276 2.750 20 0 BFADLO FC(F)(F)C[C@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000662223867 412030805 /nfs/dbraw/zinc/03/08/05/412030805.db2.gz RQUKRKIJAJZTKY-NSHDSACASA-N 1 2 249.276 2.750 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861585 412034702 /nfs/dbraw/zinc/03/47/02/412034702.db2.gz URVFCXGRZNHJRC-CHWSQXEVSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861585 412034705 /nfs/dbraw/zinc/03/47/05/412034705.db2.gz URVFCXGRZNHJRC-CHWSQXEVSA-N 1 2 247.386 2.984 20 0 BFADLO CC[C@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980911 412055502 /nfs/dbraw/zinc/05/55/02/412055502.db2.gz QYMBZDMDOSCCKU-VIFPVBQESA-N 1 2 231.299 2.877 20 0 BFADLO CC[C@@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000287490430 171005042 /nfs/dbraw/zinc/00/50/42/171005042.db2.gz KSTQZUYICIKSEL-GFCCVEGCSA-N 1 2 247.342 2.962 20 0 BFADLO CC[C@@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000336426833 171016039 /nfs/dbraw/zinc/01/60/39/171016039.db2.gz UOLAVNMTWLQGKW-SNVBAGLBSA-N 1 2 230.315 2.503 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c(C)n1 ZINC000271496593 171056104 /nfs/dbraw/zinc/05/61/04/171056104.db2.gz WORXLORTPZMMRS-GXSJLCMTSA-N 1 2 205.305 2.552 20 0 BFADLO CC[C@@H]1C[C@@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000342054302 171116929 /nfs/dbraw/zinc/11/69/29/171116929.db2.gz ZDZIWNKELZECII-ZYHUDNBSSA-N 1 2 231.343 2.979 20 0 BFADLO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)C(F)(F)F)CCO1 ZINC000309717429 171121144 /nfs/dbraw/zinc/12/11/44/171121144.db2.gz ULUXLBSAXIWJPF-KXUCPTDWSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@@H]1C[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000301272045 171124119 /nfs/dbraw/zinc/12/41/19/171124119.db2.gz HWVYDVDQQDRPNQ-ZJUUUORDSA-N 1 2 205.305 2.810 20 0 BFADLO CC[C@@H]1C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000280661051 171138773 /nfs/dbraw/zinc/13/87/73/171138773.db2.gz KTIIESANCMWFSN-ZYHUDNBSSA-N 1 2 233.315 2.618 20 0 BFADLO CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000277111646 171152400 /nfs/dbraw/zinc/15/24/00/171152400.db2.gz XPIMUBCAJGJHQV-AAEUAGOBSA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292999749 171320459 /nfs/dbraw/zinc/32/04/59/171320459.db2.gz CUFVZKISLUCSOH-LBPRGKRZSA-N 1 2 241.338 2.986 20 0 BFADLO CC[C@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292999749 171320461 /nfs/dbraw/zinc/32/04/61/171320461.db2.gz CUFVZKISLUCSOH-LBPRGKRZSA-N 1 2 241.338 2.986 20 0 BFADLO CC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301523324 171350745 /nfs/dbraw/zinc/35/07/45/171350745.db2.gz HUEIPNAHWPAGBP-VIFPVBQESA-N 1 2 207.321 2.985 20 0 BFADLO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000035043253 171374911 /nfs/dbraw/zinc/37/49/11/171374911.db2.gz JPYLFNSATSBTKY-GXTWGEPZSA-N 1 2 249.354 2.672 20 0 BFADLO CC[C@H](C)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121451430 171387249 /nfs/dbraw/zinc/38/72/49/171387249.db2.gz YVDZXGQOPRARHV-ONGXEEELSA-N 1 2 235.331 2.946 20 0 BFADLO Cn1cc(Cl)c(C[N@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662342947 412111287 /nfs/dbraw/zinc/11/12/87/412111287.db2.gz GSWCKZGUCXPFLO-SECBINFHSA-N 1 2 241.766 2.551 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@H]2CC2(C)C)n1 ZINC000662342947 412111291 /nfs/dbraw/zinc/11/12/91/412111291.db2.gz GSWCKZGUCXPFLO-SECBINFHSA-N 1 2 241.766 2.551 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286053 412232441 /nfs/dbraw/zinc/23/24/41/412232441.db2.gz DDVDHUJSISQYDR-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286053 412232444 /nfs/dbraw/zinc/23/24/44/412232444.db2.gz DDVDHUJSISQYDR-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO CCc1cc(NCCC[C@@H]2CCCCO2)nc[nH+]1 ZINC000680624643 487623859 /nfs/dbraw/zinc/62/38/59/487623859.db2.gz ZNZIEPWXQQPJIL-ZDUSSCGKSA-N 1 2 249.358 2.800 20 0 BFADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000271411412 172007000 /nfs/dbraw/zinc/00/70/00/172007000.db2.gz ARNQZCQABZWICF-ZJUUUORDSA-N 1 2 248.330 2.680 20 0 BFADLO CCc1nc([C@H]2CCCC[N@@H+]2CC2CC2)no1 ZINC000370565655 172007171 /nfs/dbraw/zinc/00/71/71/172007171.db2.gz MQEFPLXTOAHSGK-LLVKDONJSA-N 1 2 235.331 2.569 20 0 BFADLO CCc1nc([C@H]2CCCC[N@H+]2CC2CC2)no1 ZINC000370565655 172007173 /nfs/dbraw/zinc/00/71/73/172007173.db2.gz MQEFPLXTOAHSGK-LLVKDONJSA-N 1 2 235.331 2.569 20 0 BFADLO CCc1[nH+]c2ccccc2n1[C@H](C)[C@H](C)O ZINC000062807834 172013359 /nfs/dbraw/zinc/01/33/59/172013359.db2.gz AJSOHYWUTYJZHE-ZJUUUORDSA-N 1 2 218.300 2.541 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000336270019 172065073 /nfs/dbraw/zinc/06/50/73/172065073.db2.gz CKDWQHOHKSXJEN-CABZTGNLSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000336270019 172065074 /nfs/dbraw/zinc/06/50/74/172065074.db2.gz CKDWQHOHKSXJEN-CABZTGNLSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc(C)c1CNc1cccc[nH+]1 ZINC000292894361 172080764 /nfs/dbraw/zinc/08/07/64/172080764.db2.gz WDNQFNXKNZOUHC-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1occc1C ZINC000294035775 172096169 /nfs/dbraw/zinc/09/61/69/172096169.db2.gz WALLIAXVQZTSQR-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1occc1C ZINC000294035775 172096170 /nfs/dbraw/zinc/09/61/70/172096170.db2.gz WALLIAXVQZTSQR-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cccn1CC ZINC000295230767 172096493 /nfs/dbraw/zinc/09/64/93/172096493.db2.gz CVCLXEGMNBZBJJ-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cccn1CC ZINC000295230767 172096497 /nfs/dbraw/zinc/09/64/97/172096497.db2.gz CVCLXEGMNBZBJJ-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccc(C)o1 ZINC000294785841 172096575 /nfs/dbraw/zinc/09/65/75/172096575.db2.gz BZTWICRHNLUZBT-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000294785841 172096578 /nfs/dbraw/zinc/09/65/78/172096578.db2.gz BZTWICRHNLUZBT-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C)on2)cn1 ZINC000281929097 172193915 /nfs/dbraw/zinc/19/39/15/172193915.db2.gz AXPIDUZICPAWGV-MNOVXSKESA-N 1 2 248.330 2.611 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2cc(F)ccc21 ZINC000338357464 172222605 /nfs/dbraw/zinc/22/26/05/172222605.db2.gz VKTHENOOWVUUKE-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO CCn1cc[nH+]c1CNC(=O)/C(C)=C/C(C)(C)C ZINC000296758203 172222962 /nfs/dbraw/zinc/22/29/62/172222962.db2.gz BTABWWQFLNJJNL-PKNBQFBNSA-N 1 2 249.358 2.512 20 0 BFADLO CCn1ccnc1C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000051924267 172223466 /nfs/dbraw/zinc/22/34/66/172223466.db2.gz DDACVYNYWRWVSH-NSHDSACASA-N 1 2 247.342 2.964 20 0 BFADLO CCn1cc[nH+]c1CNc1ccnc(Cl)c1 ZINC000122675895 172226893 /nfs/dbraw/zinc/22/68/93/172226893.db2.gz QGFTYFVTFREWKL-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@@H](C)C(F)(F)F ZINC000295174283 172228433 /nfs/dbraw/zinc/22/84/33/172228433.db2.gz GPBJSGPEAZCFIL-SFYZADRCSA-N 1 2 235.253 2.504 20 0 BFADLO C[N@H+](Cc1csnn1)C(C)(C)c1ccccc1 ZINC000671309411 487625267 /nfs/dbraw/zinc/62/52/67/487625267.db2.gz YSFYUHOLMSEWBT-UHFFFAOYSA-N 1 2 247.367 2.905 20 0 BFADLO C[N@@H+](Cc1csnn1)C(C)(C)c1ccccc1 ZINC000671309411 487625268 /nfs/dbraw/zinc/62/52/68/487625268.db2.gz YSFYUHOLMSEWBT-UHFFFAOYSA-N 1 2 247.367 2.905 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662225684 487626899 /nfs/dbraw/zinc/62/68/99/487626899.db2.gz BTSRMUAZKLWIMN-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662225684 487626903 /nfs/dbraw/zinc/62/69/03/487626903.db2.gz BTSRMUAZKLWIMN-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO COC1(CNc2cc(C)[nH+]c(C(C)C)n2)CCC1 ZINC000227304886 174004766 /nfs/dbraw/zinc/00/47/66/174004766.db2.gz ODAAACZWRYCRGP-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO COC1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000164275134 174025578 /nfs/dbraw/zinc/02/55/78/174025578.db2.gz LMFNDDLSAUIONC-UHFFFAOYSA-N 1 2 220.316 2.760 20 0 BFADLO COCC(C)(C)CCCNc1cccc[nH+]1 ZINC000288443175 174070298 /nfs/dbraw/zinc/07/02/98/174070298.db2.gz IPSCERFQWXXKJY-UHFFFAOYSA-N 1 2 222.332 2.946 20 0 BFADLO COCCC(C)(C)Nc1cc[nH+]c(C(C)C)n1 ZINC000353258068 174149061 /nfs/dbraw/zinc/14/90/61/174149061.db2.gz CKOCZVZCVDUCDT-UHFFFAOYSA-N 1 2 237.347 2.827 20 0 BFADLO COCCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337392830 174178913 /nfs/dbraw/zinc/17/89/13/174178913.db2.gz IEAIVXSYRRFRRU-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO COCCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337392830 174178915 /nfs/dbraw/zinc/17/89/15/174178915.db2.gz IEAIVXSYRRFRRU-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO COCCCN(C)c1ccc2ccccc2[nH+]1 ZINC000299279893 174220279 /nfs/dbraw/zinc/22/02/79/174220279.db2.gz UKWAOXXVJAZKRF-UHFFFAOYSA-N 1 2 230.311 2.708 20 0 BFADLO COCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292664745 174251318 /nfs/dbraw/zinc/25/13/18/174251318.db2.gz IUHDOINJFLHBSW-LLVKDONJSA-N 1 2 229.270 2.619 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@H](C)CC(C)C ZINC000337148105 174288290 /nfs/dbraw/zinc/28/82/90/174288290.db2.gz ZVVUGCRBVCSONX-LLVKDONJSA-N 1 2 237.334 2.882 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@H](C)CC(C)C ZINC000337148105 174288291 /nfs/dbraw/zinc/28/82/91/174288291.db2.gz ZVVUGCRBVCSONX-LLVKDONJSA-N 1 2 237.334 2.882 20 0 BFADLO COCCN(CC(C)C)c1[nH]c2ccccc2[nH+]1 ZINC000302668343 174288403 /nfs/dbraw/zinc/28/84/03/174288403.db2.gz NCFGDOUYHRGOPY-UHFFFAOYSA-N 1 2 247.342 2.672 20 0 BFADLO COCCN(C[C@H]1CC=CCC1)c1cccc[nH+]1 ZINC000302688513 174297221 /nfs/dbraw/zinc/29/72/21/174297221.db2.gz BRNDMWDSALROAO-AWEZNQCLSA-N 1 2 246.354 2.891 20 0 BFADLO COCCOc1ccc([NH2+]C(C)C)cc1 ZINC000037106223 174368663 /nfs/dbraw/zinc/36/86/63/174368663.db2.gz ZOIOUWREJMWZIW-UHFFFAOYSA-N 1 2 209.289 2.532 20 0 BFADLO COCC[C@H](C)Nc1ccc(C)[nH+]c1C ZINC000087151591 174409386 /nfs/dbraw/zinc/40/93/86/174409386.db2.gz BIOIIVWTRDOUAG-JTQLQIEISA-N 1 2 208.305 2.535 20 0 BFADLO CO[C@H](C)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000286351020 174825174 /nfs/dbraw/zinc/82/51/74/174825174.db2.gz KIHGLPXZLNCLRB-MRVPVSSYSA-N 1 2 248.248 2.572 20 0 BFADLO COc1cc(NCc2[nH]cc[nH+]2)c(C)cc1C ZINC000280133224 175003786 /nfs/dbraw/zinc/00/37/86/175003786.db2.gz CMEKTBWXNMZHID-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1ccc(-c2cccc(N)[nH+]2)c(C)c1 ZINC000038069322 175035232 /nfs/dbraw/zinc/03/52/32/175035232.db2.gz LXAVFKBIHTUKAF-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1ccc(Cl)cc1-c1ccc(N)[nH+]c1 ZINC000052886379 175119693 /nfs/dbraw/zinc/11/96/93/175119693.db2.gz ABBYGKYHQSSXFR-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070361608 175153701 /nfs/dbraw/zinc/15/37/01/175153701.db2.gz MUEHWSUBBLZOGN-VXGBXAGGSA-N 1 2 235.327 2.983 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)c(C)c1 ZINC000165616920 175154546 /nfs/dbraw/zinc/15/45/46/175154546.db2.gz IUISQCJCPXNCMY-VXGBXAGGSA-N 1 2 235.327 2.841 20 0 BFADLO COc1ccc(Nc2[nH+]cccc2N)c(C)c1 ZINC000061565869 175156582 /nfs/dbraw/zinc/15/65/82/175156582.db2.gz UYYYSETVDZRMJG-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1ccc2[nH+]c(C)nc(N[C@H]3C[C@@H]3C)c2c1 ZINC000301949507 175227723 /nfs/dbraw/zinc/22/77/23/175227723.db2.gz IGVBRUATJPSRPT-SDBXPKJASA-N 1 2 243.310 2.767 20 0 BFADLO COc1cccc(CCCOCc2[nH]cc[nH+]2)c1 ZINC000123879391 175251996 /nfs/dbraw/zinc/25/19/96/175251996.db2.gz LLHXSKTWGLURGL-UHFFFAOYSA-N 1 2 246.310 2.568 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2cn[nH]c2C)c1 ZINC000037996434 175286374 /nfs/dbraw/zinc/28/63/74/175286374.db2.gz SJPCJTIXQJACCJ-SNVBAGLBSA-N 1 2 245.326 2.578 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2cc(C)on2)c1 ZINC000044692293 175293058 /nfs/dbraw/zinc/29/30/58/175293058.db2.gz VPKGYJZPBFECRO-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1cccc2c1cc[nH+]c2N1CC[C@H](F)C1 ZINC000335400106 175300171 /nfs/dbraw/zinc/30/01/71/175300171.db2.gz LUFAVUZIDGDHMM-JTQLQIEISA-N 1 2 246.285 2.792 20 0 BFADLO COc1cccc2c(N3CCCC3)cc[nH+]c12 ZINC000275479051 175300207 /nfs/dbraw/zinc/30/02/07/175300207.db2.gz JVQXULTXBRHYAR-UHFFFAOYSA-N 1 2 228.295 2.844 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1cc(C)no1 ZINC000053403328 175325001 /nfs/dbraw/zinc/32/50/01/175325001.db2.gz CPQDIGDJIDFYKV-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1cc(C)no1 ZINC000053403328 175325003 /nfs/dbraw/zinc/32/50/03/175325003.db2.gz CPQDIGDJIDFYKV-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000266181880 175346483 /nfs/dbraw/zinc/34/64/83/175346483.db2.gz VLZGOUNQHNSYDM-SNVBAGLBSA-N 1 2 243.310 2.967 20 0 BFADLO COc1cc[nH+]cc1CSC1CCOCC1 ZINC000286612272 175373525 /nfs/dbraw/zinc/37/35/25/175373525.db2.gz ULZYZBITVNLSEF-UHFFFAOYSA-N 1 2 239.340 2.502 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000284577322 175375123 /nfs/dbraw/zinc/37/51/23/175375123.db2.gz GVMYUMOFZSAWQT-GHMZBOCLSA-N 1 2 246.310 2.631 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1=C(C)CCC1 ZINC000336569025 175375215 /nfs/dbraw/zinc/37/52/15/175375215.db2.gz ZLUHTYPMFLDGFZ-UHFFFAOYSA-N 1 2 232.283 2.529 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1C(C)(C)C1(C)C ZINC000081309871 175375371 /nfs/dbraw/zinc/37/53/71/175375371.db2.gz ODUIGFOKQPYACF-UHFFFAOYSA-N 1 2 248.326 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000336388139 175375740 /nfs/dbraw/zinc/37/57/40/175375740.db2.gz GEKBOGSJLPXMCQ-JTQLQIEISA-N 1 2 248.326 2.855 20 0 BFADLO C[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1cn[nH]c1 ZINC000270278977 175906761 /nfs/dbraw/zinc/90/67/61/175906761.db2.gz ZARMUTKBSSTTTE-MRVPVSSYSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000179802257 176015505 /nfs/dbraw/zinc/01/55/05/176015505.db2.gz KUHYRWZYEQZEIQ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000179802257 176015506 /nfs/dbraw/zinc/01/55/06/176015506.db2.gz KUHYRWZYEQZEIQ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c[nH]cn1 ZINC000179802257 176015507 /nfs/dbraw/zinc/01/55/07/176015507.db2.gz KUHYRWZYEQZEIQ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c[nH]cn1 ZINC000179802257 176015508 /nfs/dbraw/zinc/01/55/08/176015508.db2.gz KUHYRWZYEQZEIQ-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000049693850 176015790 /nfs/dbraw/zinc/01/57/90/176015790.db2.gz XRYSSULSFHJYHC-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000049693850 176015792 /nfs/dbraw/zinc/01/57/92/176015792.db2.gz XRYSSULSFHJYHC-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cc[nH]n1)C1CC1 ZINC000092484325 176033593 /nfs/dbraw/zinc/03/35/93/176033593.db2.gz UFQJNKDMZFTZLB-JTQLQIEISA-N 1 2 231.299 2.728 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cc[nH]n1)C1CC1 ZINC000092484325 176033594 /nfs/dbraw/zinc/03/35/94/176033594.db2.gz UFQJNKDMZFTZLB-JTQLQIEISA-N 1 2 231.299 2.728 20 0 BFADLO C[C@@H](c1cnccn1)[NH+]1Cc2ccccc2C1 ZINC000184534216 176037564 /nfs/dbraw/zinc/03/75/64/176037564.db2.gz MZMVAXUMPZSFHW-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@H](F)C1 ZINC000336263124 176039237 /nfs/dbraw/zinc/03/92/37/176039237.db2.gz SLIMDCZXCIKHBB-VHSXEESVSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@H](F)C1 ZINC000336263124 176039238 /nfs/dbraw/zinc/03/92/38/176039238.db2.gz SLIMDCZXCIKHBB-VHSXEESVSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@@H]1CCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000359929018 176127808 /nfs/dbraw/zinc/12/78/08/176127808.db2.gz CGIJTDFBBVZEMH-VXGBXAGGSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289982514 176177276 /nfs/dbraw/zinc/17/72/76/176177276.db2.gz JUMJBFWWUMVJDA-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289982514 176177278 /nfs/dbraw/zinc/17/72/78/176177278.db2.gz JUMJBFWWUMVJDA-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)[C@@H]1C ZINC000267933612 176181522 /nfs/dbraw/zinc/18/15/22/176181522.db2.gz FXSIOQWHDWBNKS-GHMZBOCLSA-N 1 2 227.311 2.865 20 0 BFADLO Cc1ccc(NC(=O)CCn2cccc2)c(C)[nH+]1 ZINC000674839931 487633190 /nfs/dbraw/zinc/63/31/90/487633190.db2.gz FVMGYMBISRKCJV-UHFFFAOYSA-N 1 2 243.310 2.529 20 0 BFADLO C[C@@H]1CC[C@@H]([NH+]=c2[nH]c3cccc(F)c3n2C)C1 ZINC000336927645 176209832 /nfs/dbraw/zinc/20/98/32/176209832.db2.gz MYDPFMJMAUZSCR-NXEZZACHSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CC[C@@H](Sc2[nH+]cnc3c2cnn3C)C1 ZINC000272373317 176215469 /nfs/dbraw/zinc/21/54/69/176215469.db2.gz CFXKNGMHCPGNLF-RKDXNWHRSA-N 1 2 248.355 2.644 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000337411141 176223692 /nfs/dbraw/zinc/22/36/92/176223692.db2.gz OXMMRZSBDALBJA-GMTAPVOTSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2C(F)F)O1 ZINC000337411141 176223694 /nfs/dbraw/zinc/22/36/94/176223694.db2.gz OXMMRZSBDALBJA-GMTAPVOTSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000360100626 176225443 /nfs/dbraw/zinc/22/54/43/176225443.db2.gz FMIYUSVJKFKHGU-NEPJUHHUSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339565097 176317538 /nfs/dbraw/zinc/31/75/38/176317538.db2.gz LFMOGJYCBQFZDX-OPRDCNLKSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339565097 176317540 /nfs/dbraw/zinc/31/75/40/176317540.db2.gz LFMOGJYCBQFZDX-OPRDCNLKSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@@H]1COCC[N@@H+]1CCc1cccc(Cl)c1 ZINC000297892567 176336519 /nfs/dbraw/zinc/33/65/19/176336519.db2.gz RAGIPBCSIHNMSP-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1COCC[N@H+]1CCc1cccc(Cl)c1 ZINC000297892567 176336520 /nfs/dbraw/zinc/33/65/20/176336520.db2.gz RAGIPBCSIHNMSP-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1COCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000195073371 176344986 /nfs/dbraw/zinc/34/49/86/176344986.db2.gz SCPVNDDQAQETHX-BXUZGUMPSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1COCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000195073371 176344987 /nfs/dbraw/zinc/34/49/87/176344987.db2.gz SCPVNDDQAQETHX-BXUZGUMPSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC000069760902 176351080 /nfs/dbraw/zinc/35/10/80/176351080.db2.gz IWEHRVOVSFUFON-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccnc(Cl)c1 ZINC000069760902 176351082 /nfs/dbraw/zinc/35/10/82/176351082.db2.gz IWEHRVOVSFUFON-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000294951168 176354452 /nfs/dbraw/zinc/35/44/52/176354452.db2.gz VNPDERBJAYAOIE-MFKMUULPSA-N 1 2 236.384 2.916 20 0 BFADLO C[C@@H]1CSC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000294951168 176354454 /nfs/dbraw/zinc/35/44/54/176354454.db2.gz VNPDERBJAYAOIE-MFKMUULPSA-N 1 2 236.384 2.916 20 0 BFADLO C[C@@H]1CSC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000294951172 176356695 /nfs/dbraw/zinc/35/66/95/176356695.db2.gz VNPDERBJAYAOIE-ZWNOBZJWSA-N 1 2 236.384 2.916 20 0 BFADLO C[C@@H]1CSC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000294951172 176356698 /nfs/dbraw/zinc/35/66/98/176356698.db2.gz VNPDERBJAYAOIE-ZWNOBZJWSA-N 1 2 236.384 2.916 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)C2(C)CCCC2)c2[nH+]ccn21 ZINC000335152587 176373215 /nfs/dbraw/zinc/37/32/15/176373215.db2.gz AMPUTDQOOMWPOE-GHMZBOCLSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@H](CO)Nc1cc[nH+]c2c(Cl)cccc12 ZINC000286196483 176707415 /nfs/dbraw/zinc/70/74/15/176707415.db2.gz REQZPHVEDRMHJG-MRVPVSSYSA-N 1 2 236.702 2.681 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccoc2)nc1 ZINC000674861260 487635469 /nfs/dbraw/zinc/63/54/69/487635469.db2.gz REUHEXUYJKZQLV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccoc2)nc1 ZINC000674861260 487635474 /nfs/dbraw/zinc/63/54/74/487635474.db2.gz REUHEXUYJKZQLV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO C[C@H](C[N@@H+]1CCCc2[nH]ncc2C1)C(C)(C)C ZINC000668843182 487636559 /nfs/dbraw/zinc/63/65/59/487636559.db2.gz WUOFEQICARZOMN-LLVKDONJSA-N 1 2 235.375 2.840 20 0 BFADLO C[C@H](C[N@H+]1CCCc2[nH]ncc2C1)C(C)(C)C ZINC000668843182 487636561 /nfs/dbraw/zinc/63/65/61/487636561.db2.gz WUOFEQICARZOMN-LLVKDONJSA-N 1 2 235.375 2.840 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1ccn(C)n1)C1CC1 ZINC000271134085 177047556 /nfs/dbraw/zinc/04/75/56/177047556.db2.gz LPYKUHJXHUHLFB-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1ccn(C)n1)C1CC1 ZINC000271134085 177047558 /nfs/dbraw/zinc/04/75/58/177047558.db2.gz LPYKUHJXHUHLFB-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)[N@H+](C)Cc1nccs1 ZINC000269618713 177048053 /nfs/dbraw/zinc/04/80/53/177048053.db2.gz DLUOZIFLMNNRCA-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](C)Cc1nccs1 ZINC000269618713 177048054 /nfs/dbraw/zinc/04/80/54/177048054.db2.gz DLUOZIFLMNNRCA-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H]1CCCC[C@@H]1Oc1cc(N)cc[nH+]1 ZINC000043569474 177084451 /nfs/dbraw/zinc/08/44/51/177084451.db2.gz CVKLXUBMDKFCEN-ONGXEEELSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000270609658 177113049 /nfs/dbraw/zinc/11/30/49/177113049.db2.gz XWWZAOQZULDPQN-JTQLQIEISA-N 1 2 215.300 2.562 20 0 BFADLO C[C@H]1CCC[C@@H](c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000278212877 177123464 /nfs/dbraw/zinc/12/34/64/177123464.db2.gz WJISWZFYHXJRDW-WDEREUQCSA-N 1 2 246.314 2.608 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)[C@H]1C ZINC000267933619 177171708 /nfs/dbraw/zinc/17/17/08/177171708.db2.gz FXSIOQWHDWBNKS-QWRGUYRKSA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000270600225 177171821 /nfs/dbraw/zinc/17/18/21/177171821.db2.gz VSJSCADDAXRCRI-UWVGGRQHSA-N 1 2 215.300 2.798 20 0 BFADLO C[C@H]1CC[C@H](C)[NH+]1Cc1noc(C(C)(C)C)n1 ZINC000123414530 177200040 /nfs/dbraw/zinc/20/00/40/177200040.db2.gz SCTXLFXDQLNPSD-UWVGGRQHSA-N 1 2 237.347 2.740 20 0 BFADLO C[C@H]1CC[C@H](Sc2[nH+]cnc3c2cnn3C)C1 ZINC000272373314 177206094 /nfs/dbraw/zinc/20/60/94/177206094.db2.gz CFXKNGMHCPGNLF-IUCAKERBSA-N 1 2 248.355 2.644 20 0 BFADLO C[C@H]1C[N@H+](CCSc2cccs2)CCO1 ZINC000188298473 177254312 /nfs/dbraw/zinc/25/43/12/177254312.db2.gz KOXKAZNFFLQMTM-JTQLQIEISA-N 1 2 243.397 2.561 20 0 BFADLO C[C@H]1C[N@@H+](CCSc2cccs2)CCO1 ZINC000188298473 177254313 /nfs/dbraw/zinc/25/43/13/177254313.db2.gz KOXKAZNFFLQMTM-JTQLQIEISA-N 1 2 243.397 2.561 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2Cl)[C@@H](C)CO1 ZINC000141425973 177266529 /nfs/dbraw/zinc/26/65/29/177266529.db2.gz QLKQXIFYAJFKEJ-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2Cl)[C@@H](C)CO1 ZINC000141425973 177266531 /nfs/dbraw/zinc/26/65/31/177266531.db2.gz QLKQXIFYAJFKEJ-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000051160562 177273739 /nfs/dbraw/zinc/27/37/39/177273739.db2.gz NVGAAXDDHBGDSZ-QWRGUYRKSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000051160562 177273741 /nfs/dbraw/zinc/27/37/41/177273741.db2.gz NVGAAXDDHBGDSZ-QWRGUYRKSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@H]1C[C@H](NC(=O)C2(C)CCCC2)c2[nH+]ccn21 ZINC000335152592 177367100 /nfs/dbraw/zinc/36/71/00/177367100.db2.gz AMPUTDQOOMWPOE-QWRGUYRKSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC000155959909 177399959 /nfs/dbraw/zinc/39/99/59/177399959.db2.gz HBHZUQWVADWBAS-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)cc2F)[C@@H]1C ZINC000155959909 177399960 /nfs/dbraw/zinc/39/99/60/177399960.db2.gz HBHZUQWVADWBAS-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[C@H]1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000488442524 225398838 /nfs/dbraw/zinc/39/88/38/225398838.db2.gz NERNKFRZOYRSNG-STQMWFEESA-N 1 2 245.370 2.562 20 0 BFADLO Cc1cc(NC(=O)C=CC2CCCC2)c(C)c[nH+]1 ZINC000493164784 226143013 /nfs/dbraw/zinc/14/30/13/226143013.db2.gz WFBCSGSNXTVPLW-FPLPWBNLSA-N 1 2 244.338 2.805 20 0 BFADLO C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493181262 226146831 /nfs/dbraw/zinc/14/68/31/226146831.db2.gz BWHTWAMVESBJPZ-AEZGRPFRSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cc(C)c(CNC(=O)/C=C/C(C)(C)C)c[nH+]1 ZINC000493510180 226235955 /nfs/dbraw/zinc/23/59/55/226235955.db2.gz CIZKKYDGOZKMMN-VOTSOKGWSA-N 1 2 246.354 2.917 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)/C=C/C(C)(C)C)[nH+]1 ZINC000493583823 226244309 /nfs/dbraw/zinc/24/43/09/226244309.db2.gz KSLDLTVDNUWZCG-BQYQJAHWSA-N 1 2 249.358 2.672 20 0 BFADLO Cc1cc(F)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493621311 226246510 /nfs/dbraw/zinc/24/65/10/226246510.db2.gz XTEUYPXYCVVXOU-HYXAFXHYSA-N 1 2 245.257 2.509 20 0 BFADLO C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000494219927 226262257 /nfs/dbraw/zinc/26/22/57/226262257.db2.gz MWZZKEQGHBPPSM-RYUDHWBXSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)CC1(F)F ZINC000494219927 226262258 /nfs/dbraw/zinc/26/22/58/226262258.db2.gz MWZZKEQGHBPPSM-RYUDHWBXSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1nccc(C[N@@H+](C)[C@H](C)c2ccco2)n1 ZINC000507192192 226366665 /nfs/dbraw/zinc/36/66/65/226366665.db2.gz RGCHMVMPZZIFBI-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nccc(C[N@H+](C)[C@H](C)c2ccco2)n1 ZINC000507192192 226366666 /nfs/dbraw/zinc/36/66/66/226366666.db2.gz RGCHMVMPZZIFBI-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccccc1[N@H+](C)CC1CCOCC1 ZINC000653465258 487662688 /nfs/dbraw/zinc/66/26/88/487662688.db2.gz YVLFJNIJJSAOJW-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO Cc1ccccc1[N@@H+](C)CC1CCOCC1 ZINC000653465258 487662691 /nfs/dbraw/zinc/66/26/91/487662691.db2.gz YVLFJNIJJSAOJW-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO Cc1cc(N)nc(S[C@H](C)CC(C)C)[nH+]1 ZINC000308794408 229249195 /nfs/dbraw/zinc/24/91/95/229249195.db2.gz BYBULNVQAZABTN-SECBINFHSA-N 1 2 225.361 2.894 20 0 BFADLO Cc1cc(N)nc(S[C@@H](C)CC(C)C)[nH+]1 ZINC000308794411 229249301 /nfs/dbraw/zinc/24/93/01/229249301.db2.gz BYBULNVQAZABTN-VIFPVBQESA-N 1 2 225.361 2.894 20 0 BFADLO Cn1c[nH+]cc1CN1CC(C)(C)c2ccccc21 ZINC000675126223 487672723 /nfs/dbraw/zinc/67/27/23/487672723.db2.gz PTAYFDYFIJLPEW-UHFFFAOYSA-N 1 2 241.338 2.718 20 0 BFADLO FC(F)COc1ccccc1-n1cc[nH+]c1 ZINC000680970946 487684827 /nfs/dbraw/zinc/68/48/27/487684827.db2.gz NILLSCJKMMYNQF-UHFFFAOYSA-N 1 2 224.210 2.516 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000097039966 487689090 /nfs/dbraw/zinc/68/90/90/487689090.db2.gz YYEMLWYSENCWTG-HQJQHLMTSA-N 1 2 218.300 2.601 20 0 BFADLO COc1ccc[nH+]c1N1C[C@@H](C)C[C@H](C)C1 ZINC000527824009 262887184 /nfs/dbraw/zinc/88/71/84/262887184.db2.gz XNZHMNCNNFBCFC-QWRGUYRKSA-N 1 2 220.316 2.573 20 0 BFADLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(F)F ZINC000083248786 487703013 /nfs/dbraw/zinc/70/30/13/487703013.db2.gz ZJFWCYIHIQIQLO-JTQLQIEISA-N 1 2 240.297 2.592 20 0 BFADLO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC(F)F ZINC000083248786 487703022 /nfs/dbraw/zinc/70/30/22/487703022.db2.gz ZJFWCYIHIQIQLO-JTQLQIEISA-N 1 2 240.297 2.592 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C1CCC1 ZINC000120791135 490068842 /nfs/dbraw/zinc/06/88/42/490068842.db2.gz CVIKSDDMFVTKMB-SNVBAGLBSA-N 1 2 233.315 2.700 20 0 BFADLO CCc1ccc(CNc2[nH+]cccc2OC)cn1 ZINC000671718001 487705770 /nfs/dbraw/zinc/70/57/70/487705770.db2.gz WNXDABWCHMZEGE-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO CCC(CC)CNC(=O)Nc1cc(C)[nH+]cc1C ZINC000536618722 487719868 /nfs/dbraw/zinc/71/98/68/487719868.db2.gz WOZAZWXAFOLPAB-UHFFFAOYSA-N 1 2 249.358 2.678 20 0 BFADLO CCC(CC)(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000675478038 487738952 /nfs/dbraw/zinc/73/89/52/487738952.db2.gz VYFAHDINKDTITK-UHFFFAOYSA-N 1 2 237.347 2.551 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]cc3c2CCCC3)CCO1 ZINC000668440948 487758974 /nfs/dbraw/zinc/75/89/74/487758974.db2.gz ROKLRTHUPQXHQP-DGCLKSJQSA-N 1 2 246.354 2.940 20 0 BFADLO CCOC[C@@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000668440545 487759323 /nfs/dbraw/zinc/75/93/23/487759323.db2.gz OFQJJMNODNHFFT-LLVKDONJSA-N 1 2 234.343 2.797 20 0 BFADLO C[C@@H](Nc1c[nH+]cc2c1CCCC2)[C@H]1CCOC1 ZINC000668441600 487760050 /nfs/dbraw/zinc/76/00/50/487760050.db2.gz VPHOYGZYKCEPPJ-YPMHNXCESA-N 1 2 246.354 2.797 20 0 BFADLO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681273323 487766285 /nfs/dbraw/zinc/76/62/85/487766285.db2.gz JNWCPCKETGQVBR-RYUDHWBXSA-N 1 2 243.310 2.565 20 0 BFADLO Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC000679193864 487777440 /nfs/dbraw/zinc/77/74/40/487777440.db2.gz XVZXYKXHLCCBEC-SKDRFNHKSA-N 1 2 249.333 2.847 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@H]1F ZINC000679221641 487784317 /nfs/dbraw/zinc/78/43/17/487784317.db2.gz LNEBRLCFWIXQJW-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1F ZINC000679221641 487784322 /nfs/dbraw/zinc/78/43/22/487784322.db2.gz LNEBRLCFWIXQJW-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ccc(NC(=O)N[C@]23C[C@H]2CCC3)c(C)[nH+]1 ZINC000666314056 487784662 /nfs/dbraw/zinc/78/46/62/487784662.db2.gz BCZWVJLHPLUFPI-BXUZGUMPSA-N 1 2 245.326 2.763 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@H]1F ZINC000679221627 487784388 /nfs/dbraw/zinc/78/43/88/487784388.db2.gz LNEBRLCFWIXQJW-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@H]1F ZINC000679221627 487784392 /nfs/dbraw/zinc/78/43/92/487784392.db2.gz LNEBRLCFWIXQJW-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000681367290 487786865 /nfs/dbraw/zinc/78/68/65/487786865.db2.gz UFFDZYSVVOGBQO-UHFFFAOYSA-N 1 2 230.311 2.917 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1nccn1C ZINC000198752081 487795619 /nfs/dbraw/zinc/79/56/19/487795619.db2.gz YGVMWOBJRHXHPV-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1nccn1C ZINC000198752081 487795624 /nfs/dbraw/zinc/79/56/24/487795624.db2.gz YGVMWOBJRHXHPV-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2ccsc2CCN1Cc1[nH+]ccn1C ZINC000198752081 487795629 /nfs/dbraw/zinc/79/56/29/487795629.db2.gz YGVMWOBJRHXHPV-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO CCc1cc(N[C@@H]2CCOC3(CCC3)C2)nc[nH+]1 ZINC000676030281 487801008 /nfs/dbraw/zinc/80/10/08/487801008.db2.gz HGFPJIDEWOOYEA-GFCCVEGCSA-N 1 2 247.342 2.553 20 0 BFADLO CCC(C)(C)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000666492945 487820467 /nfs/dbraw/zinc/82/04/67/487820467.db2.gz YKZDTXYZXZSFEK-NSHDSACASA-N 1 2 249.358 2.758 20 0 BFADLO CCc1ccc(CNc2ccc(OC)c[nH+]2)o1 ZINC000676201351 487820918 /nfs/dbraw/zinc/82/09/18/487820918.db2.gz SHLBDQBKGRHTJX-UHFFFAOYSA-N 1 2 232.283 2.858 20 0 BFADLO CCN(CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668151660 487852653 /nfs/dbraw/zinc/85/26/53/487852653.db2.gz LCHIVOJZJZBQBP-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO CCc1ccc(CN2CCn3c[nH+]cc3C2)s1 ZINC000558570337 322952005 /nfs/dbraw/zinc/95/20/05/322952005.db2.gz UUBWHQMHUIEFCT-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000684615782 487945743 /nfs/dbraw/zinc/94/57/43/487945743.db2.gz BLLJPAHPSBQKAC-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000684615782 487945746 /nfs/dbraw/zinc/94/57/46/487945746.db2.gz BLLJPAHPSBQKAC-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000684615782 487945749 /nfs/dbraw/zinc/94/57/49/487945749.db2.gz BLLJPAHPSBQKAC-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000684615782 487945751 /nfs/dbraw/zinc/94/57/51/487945751.db2.gz BLLJPAHPSBQKAC-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO Cc1sccc1C[NH2+][C@@H](C)c1csnn1 ZINC000398257659 322868132 /nfs/dbraw/zinc/86/81/32/322868132.db2.gz AEDJIVKPCMACQI-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000562287499 323015010 /nfs/dbraw/zinc/01/50/10/323015010.db2.gz QKZXFYZRVACGTN-PJXYFTJBSA-N 1 2 245.326 2.618 20 0 BFADLO Cc1cc(C[NH2+]CC(C)(F)F)cs1 ZINC000562521133 323022688 /nfs/dbraw/zinc/02/26/88/323022688.db2.gz VFFQMZUNKKECAG-UHFFFAOYSA-N 1 2 205.273 2.801 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)C2CCC2)c(C)c[nH+]1 ZINC000562531378 323023065 /nfs/dbraw/zinc/02/30/65/323023065.db2.gz FSMQBEUNHVVAKE-UHFFFAOYSA-N 1 2 246.354 2.885 20 0 BFADLO C[C@H](C[N@@H+]1Cc2cccnc2C1)C(F)(F)F ZINC000569805274 323041214 /nfs/dbraw/zinc/04/12/14/323041214.db2.gz VRDUSJXBWMBCIF-MRVPVSSYSA-N 1 2 230.233 2.596 20 0 BFADLO C[C@H](C[N@H+]1Cc2cccnc2C1)C(F)(F)F ZINC000569805274 323041215 /nfs/dbraw/zinc/04/12/15/323041215.db2.gz VRDUSJXBWMBCIF-MRVPVSSYSA-N 1 2 230.233 2.596 20 0 BFADLO C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000570563693 323063121 /nfs/dbraw/zinc/06/31/21/323063121.db2.gz TUYJFVIJXAWGOG-WDEREUQCSA-N 1 2 247.342 2.649 20 0 BFADLO CC1CCC([N@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000053603918 323077414 /nfs/dbraw/zinc/07/74/14/323077414.db2.gz KVPQFQWGOWFFAQ-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC1CCC([N@@H+](C)Cc2noc(C3CC3)n2)CC1 ZINC000053603918 323077415 /nfs/dbraw/zinc/07/74/15/323077415.db2.gz KVPQFQWGOWFFAQ-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO FCC1([NH2+]Cc2ncc(Cl)s2)CCC1 ZINC000563121771 323093601 /nfs/dbraw/zinc/09/36/01/323093601.db2.gz FAVQBRXYIYTSEG-UHFFFAOYSA-N 1 2 234.727 2.778 20 0 BFADLO C[C@H](CC(=O)NCCC1CCCC1)n1cc[nH+]c1 ZINC000563212431 323102183 /nfs/dbraw/zinc/10/21/83/323102183.db2.gz ZHVVJIJPLQOONY-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@@H](CC(=O)NCCC1CCCC1)n1cc[nH+]c1 ZINC000563212433 323102255 /nfs/dbraw/zinc/10/22/55/323102255.db2.gz ZHVVJIJPLQOONY-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1cc(NC(=O)C2CCCCC2)c(C)c[nH+]1 ZINC000534299741 323115899 /nfs/dbraw/zinc/11/58/99/323115899.db2.gz BCDUSVNEMPRMLW-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO Cc1cc(C)nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000563526259 323129163 /nfs/dbraw/zinc/12/91/63/323129163.db2.gz PBROWWWADOFDFY-NSHDSACASA-N 1 2 245.330 2.626 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000571350732 323142337 /nfs/dbraw/zinc/14/23/37/323142337.db2.gz FUOHXFIZCCARBW-UHFFFAOYSA-N 1 2 243.301 2.519 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cscn1 ZINC000161135333 323148967 /nfs/dbraw/zinc/14/89/67/323148967.db2.gz AMRUTCZICQIMRE-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1nccs1 ZINC000110586371 323153604 /nfs/dbraw/zinc/15/36/04/323153604.db2.gz MPLPJROWPXYOOP-QMMMGPOBSA-N 1 2 246.339 2.984 20 0 BFADLO CCC[C@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000535008192 323163108 /nfs/dbraw/zinc/16/31/08/323163108.db2.gz CKEXFCIQXOFRNL-JTQLQIEISA-N 1 2 244.342 2.667 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(C)c[nH+]1 ZINC000535036504 323164309 /nfs/dbraw/zinc/16/43/09/323164309.db2.gz XLPLMDBYTMWSAE-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1cc(NC(=O)N2CCCCCC2)c(C)c[nH+]1 ZINC000535060192 323164803 /nfs/dbraw/zinc/16/48/03/323164803.db2.gz QZFCBXGUYGJOJG-UHFFFAOYSA-N 1 2 247.342 2.528 20 0 BFADLO C[C@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000112979784 323172590 /nfs/dbraw/zinc/17/25/90/323172590.db2.gz OXVOXDFYZGEPRJ-SNVBAGLBSA-N 1 2 213.271 2.987 20 0 BFADLO C[C@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000112979784 323172591 /nfs/dbraw/zinc/17/25/91/323172591.db2.gz OXVOXDFYZGEPRJ-SNVBAGLBSA-N 1 2 213.271 2.987 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]C/C=C\c2ccccc2)o1 ZINC000563869058 323181789 /nfs/dbraw/zinc/18/17/89/323181789.db2.gz VHTYFZTWLQJKKS-WDDYJBPVSA-N 1 2 243.310 2.742 20 0 BFADLO Cc1nc(N[C@@H](c2cccnc2)C2CC2)cc[nH+]1 ZINC000536135040 323196118 /nfs/dbraw/zinc/19/61/18/323196118.db2.gz GEAAJSGWHBVVFF-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1cc(NC(=O)c2ccccc2F)c(C)c[nH+]1 ZINC000536575047 323198049 /nfs/dbraw/zinc/19/80/49/323198049.db2.gz WCQYTSOMFXAVLP-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2cncc(F)c2)on1 ZINC000532232030 323210650 /nfs/dbraw/zinc/21/06/50/323210650.db2.gz JVXHYZWQLMYJGV-SECBINFHSA-N 1 2 249.289 2.622 20 0 BFADLO CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC000514675832 323384025 /nfs/dbraw/zinc/38/40/25/323384025.db2.gz KTMTWSDGTFVFJH-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC000514675831 323384270 /nfs/dbraw/zinc/38/42/70/323384270.db2.gz KTMTWSDGTFVFJH-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000135508317 323404370 /nfs/dbraw/zinc/40/43/70/323404370.db2.gz PUIZVZKCDYZCCW-YPMHNXCESA-N 1 2 218.300 2.765 20 0 BFADLO Cc1nc([C@@](C)([NH2+][C@H]2C=CCCC2)C2CC2)no1 ZINC000571839300 323489395 /nfs/dbraw/zinc/48/93/95/323489395.db2.gz ZGYPPZYVOORYHW-JSGCOSHPSA-N 1 2 247.342 2.702 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1c(C)noc1C ZINC000161641809 323553071 /nfs/dbraw/zinc/55/30/71/323553071.db2.gz MFTKKZVAWHQENB-NSHDSACASA-N 1 2 246.314 2.953 20 0 BFADLO COc1ccc[nH+]c1N(C)CCC(C)C ZINC000527848494 323706289 /nfs/dbraw/zinc/70/62/89/323706289.db2.gz CQQPKNSTPJSZDN-UHFFFAOYSA-N 1 2 208.305 2.573 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2F)o1 ZINC000541688905 324107590 /nfs/dbraw/zinc/10/75/90/324107590.db2.gz CPCLCLLRYNPBJS-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO COC1C[NH+](C[C@@H](C)c2cccc(Cl)c2)C1 ZINC000459575837 324148830 /nfs/dbraw/zinc/14/88/30/324148830.db2.gz FKBRWCHXRJDCSK-SNVBAGLBSA-N 1 2 239.746 2.774 20 0 BFADLO Cc1nc(N2C[C@@H](C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000542020021 325004644 /nfs/dbraw/zinc/00/46/44/325004644.db2.gz OFOTUBGWZFWYRB-QWRGUYRKSA-N 1 2 245.370 2.899 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnoc1C)c1nccs1 ZINC000130416642 325047097 /nfs/dbraw/zinc/04/70/97/325047097.db2.gz BTOGMVIAARCNMP-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO Cc1nc(N(C)C(C)C)c2c([nH+]1)CCCC2 ZINC000542949244 325065011 /nfs/dbraw/zinc/06/50/11/325065011.db2.gz OQUZMBFIPPMDOL-UHFFFAOYSA-N 1 2 219.332 2.508 20 0 BFADLO Cc1cc(NC(=O)CC2CCCC2)cc[nH+]1 ZINC000072709754 325168522 /nfs/dbraw/zinc/16/85/22/325168522.db2.gz XAGDMQIOPJCYJT-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000132565735 325225115 /nfs/dbraw/zinc/22/51/15/325225115.db2.gz WJCFHEPZYUJZAL-VXGBXAGGSA-N 1 2 247.342 2.642 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ccncc1Cl ZINC000075592691 325302011 /nfs/dbraw/zinc/30/20/11/325302011.db2.gz RDAHYLCOIBBFTC-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ccncc1Cl ZINC000075592691 325302012 /nfs/dbraw/zinc/30/20/12/325302012.db2.gz RDAHYLCOIBBFTC-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000075616094 325303639 /nfs/dbraw/zinc/30/36/39/325303639.db2.gz QKORITLXFZTBML-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccccc2)o1 ZINC000075616094 325303640 /nfs/dbraw/zinc/30/36/40/325303640.db2.gz QKORITLXFZTBML-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000546741912 325308006 /nfs/dbraw/zinc/30/80/06/325308006.db2.gz DAQWPLBLWRYYRP-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000546741912 325308009 /nfs/dbraw/zinc/30/80/09/325308009.db2.gz DAQWPLBLWRYYRP-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000546741912 325308012 /nfs/dbraw/zinc/30/80/12/325308012.db2.gz DAQWPLBLWRYYRP-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000546741912 325308015 /nfs/dbraw/zinc/30/80/15/325308015.db2.gz DAQWPLBLWRYYRP-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccon1 ZINC000547509803 325366656 /nfs/dbraw/zinc/36/66/56/325366656.db2.gz ZUDCEWVKLDAFFX-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc2cc[nH]c21 ZINC000547812286 325402068 /nfs/dbraw/zinc/40/20/68/325402068.db2.gz QFOUXPXLLPCVDS-UHFFFAOYSA-N 1 2 240.310 2.996 20 0 BFADLO CCCCCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079725002 325465192 /nfs/dbraw/zinc/46/51/92/325465192.db2.gz HVVBFCPAZZFJLV-UHFFFAOYSA-N 1 2 249.358 2.691 20 0 BFADLO CCC[C@@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000552557985 325653485 /nfs/dbraw/zinc/65/34/85/325653485.db2.gz USHAXQNJZOTBBY-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO C[C@H](CCc1ccc(O)cc1)Nc1c[nH]c[nH+]1 ZINC000555104834 325746734 /nfs/dbraw/zinc/74/67/34/325746734.db2.gz SCIDSWMWRDWCJW-SNVBAGLBSA-N 1 2 231.299 2.549 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(F)cc(F)c1 ZINC000094827179 325785960 /nfs/dbraw/zinc/78/59/60/325785960.db2.gz VUNOTVLOARUOKD-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H](F)C2)[nH+]1 ZINC000565654928 325938801 /nfs/dbraw/zinc/93/88/01/325938801.db2.gz NJDBHZSQNFGAFH-NXEZZACHSA-N 1 2 248.305 2.959 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H]1C(C)C ZINC000565844351 325965071 /nfs/dbraw/zinc/96/50/71/325965071.db2.gz ZRPKCBORSACVOX-WDEREUQCSA-N 1 2 205.305 2.550 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000566308787 326032314 /nfs/dbraw/zinc/03/23/14/326032314.db2.gz UNWAGTYEUDKDER-XYPYZODXSA-N 1 2 248.326 2.855 20 0 BFADLO CC[C@H](COc1ccccc1-n1cc[nH+]c1)OC ZINC000567031422 326103953 /nfs/dbraw/zinc/10/39/53/326103953.db2.gz NELBXZYCJQSUIN-GFCCVEGCSA-N 1 2 246.310 2.676 20 0 BFADLO CC(C)c1nc(N(C)[C@H]2CCSC2)cc[nH+]1 ZINC000153790624 326113651 /nfs/dbraw/zinc/11/36/51/326113651.db2.gz NTPHTJDSVNPQQE-JTQLQIEISA-N 1 2 237.372 2.542 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000154508779 326147382 /nfs/dbraw/zinc/14/73/82/326147382.db2.gz JKRIISCFCQJKDW-NSHDSACASA-N 1 2 232.327 2.991 20 0 BFADLO CC[C@@](C)([NH2+]CC1CCOCC1)C(F)(F)F ZINC000310008047 326177337 /nfs/dbraw/zinc/17/73/37/326177337.db2.gz HMRKZEMVPGDUQO-SNVBAGLBSA-N 1 2 239.281 2.734 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000156869728 326245750 /nfs/dbraw/zinc/24/57/50/326245750.db2.gz WDQAHOKREHVMOZ-NEPJUHHUSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1ccn2c(/C=C/c3ccncn3)c[nH+]c2c1 ZINC000157267698 326265296 /nfs/dbraw/zinc/26/52/96/326265296.db2.gz RIQXZXMURVCFPQ-NSCUHMNNSA-N 1 2 236.278 2.603 20 0 BFADLO CC(C)(NC(=O)[C@@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000568069575 326303288 /nfs/dbraw/zinc/30/32/88/326303288.db2.gz INKRFRHPIXZKSM-SNVBAGLBSA-N 1 2 249.358 2.587 20 0 BFADLO CC(C)=CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000569046501 326387623 /nfs/dbraw/zinc/38/76/23/326387623.db2.gz JKFLJCPGAPJFAB-JTQLQIEISA-N 1 2 203.276 2.930 20 0 BFADLO CC(C)=CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000569046501 326387624 /nfs/dbraw/zinc/38/76/24/326387624.db2.gz JKFLJCPGAPJFAB-JTQLQIEISA-N 1 2 203.276 2.930 20 0 BFADLO C[C@@H](NC(=O)C1=CCC(C)(C)CC1)c1[nH]cc[nH+]1 ZINC000569116954 326391184 /nfs/dbraw/zinc/39/11/84/326391184.db2.gz KVQOUELOYNVCKL-SNVBAGLBSA-N 1 2 247.342 2.723 20 0 BFADLO CCOCCCOc1ccccc1-n1cc[nH+]c1 ZINC000673898399 488002006 /nfs/dbraw/zinc/00/20/06/488002006.db2.gz ZQABBEHVFNIKMJ-UHFFFAOYSA-N 1 2 246.310 2.678 20 0 BFADLO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)C(F)F ZINC000682671962 488009620 /nfs/dbraw/zinc/00/96/20/488009620.db2.gz QEJGGYUQZNAREV-QWRGUYRKSA-N 1 2 240.297 2.509 20 0 BFADLO CSCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425590201 488012765 /nfs/dbraw/zinc/01/27/65/488012765.db2.gz WGRBYUZKWAMESZ-UHFFFAOYSA-N 1 2 238.356 2.780 20 0 BFADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccco1 ZINC000667479344 488022836 /nfs/dbraw/zinc/02/28/36/488022836.db2.gz BKFZFRZENAYZDE-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccco1 ZINC000667479344 488022840 /nfs/dbraw/zinc/02/28/40/488022840.db2.gz BKFZFRZENAYZDE-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccsc2)n1 ZINC000560334147 488030598 /nfs/dbraw/zinc/03/05/98/488030598.db2.gz ODUDIUIWHAOHCB-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccsc2)n1 ZINC000560334147 488030602 /nfs/dbraw/zinc/03/06/02/488030602.db2.gz ODUDIUIWHAOHCB-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1cn[nH]c1 ZINC000677420310 488032896 /nfs/dbraw/zinc/03/28/96/488032896.db2.gz DCDCGLICGRAZIN-VIFPVBQESA-N 1 2 245.330 2.670 20 0 BFADLO CC[C@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682899834 488062109 /nfs/dbraw/zinc/06/21/09/488062109.db2.gz NJCKLANAOOQZBH-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO CCCN(Cc1c[nH+]cn1CC)CC(F)(F)F ZINC000669495238 488063074 /nfs/dbraw/zinc/06/30/74/488063074.db2.gz ZTCBQLLVUOPRJX-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000674048080 488069797 /nfs/dbraw/zinc/06/97/97/488069797.db2.gz YLVMWULOOSAFQV-ZWNOBZJWSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1noc([C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000674048080 488069801 /nfs/dbraw/zinc/06/98/01/488069801.db2.gz YLVMWULOOSAFQV-ZWNOBZJWSA-N 1 2 243.310 2.886 20 0 BFADLO CC[C@H](N[C@@H]1CCCC1(F)F)c1[nH+]ccn1C ZINC000672622904 488077012 /nfs/dbraw/zinc/07/70/12/488077012.db2.gz YHPSUAQMZZSJBE-VHSXEESVSA-N 1 2 243.301 2.649 20 0 BFADLO C[C@@H](Nc1c[nH+]c2c(c1)CCCC2)[C@H]1CCCO1 ZINC000680348788 488100157 /nfs/dbraw/zinc/10/01/57/488100157.db2.gz DMWGGTGUPXQBMB-IAQYHMDHSA-N 1 2 246.354 2.940 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CC(F)(F)C3)oc1C ZINC000677731619 488110076 /nfs/dbraw/zinc/11/00/76/488110076.db2.gz APTFHKLFODGIEI-UHFFFAOYSA-N 1 2 242.269 2.523 20 0 BFADLO Cc1ncc(C[NH+]2CC3(C2)CC(F)(F)C3)s1 ZINC000677732979 488111865 /nfs/dbraw/zinc/11/18/65/488111865.db2.gz MINDNFVKMFCTSC-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1nccs1 ZINC000673950302 487553148 /nfs/dbraw/zinc/55/31/48/487553148.db2.gz GVAJKYDYUMFPSM-TVQRCGJNSA-N 1 2 246.335 2.755 20 0 BFADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)C1CCC1 ZINC000672243491 487471771 /nfs/dbraw/zinc/47/17/71/487471771.db2.gz FMFBTTFNGHVOMV-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)C1CCC1 ZINC000672243491 487471775 /nfs/dbraw/zinc/47/17/75/487471775.db2.gz FMFBTTFNGHVOMV-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CCc1cc(NC[C@H]2CCOC(C)(C)C2)nc[nH+]1 ZINC000665723755 487474134 /nfs/dbraw/zinc/47/41/34/487474134.db2.gz MHPKRAGSCXEMOG-NSHDSACASA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCc3ccc(F)cc32)no1 ZINC000673930781 487483158 /nfs/dbraw/zinc/48/31/58/487483158.db2.gz BSBNHVOGSQNDLM-AWEZNQCLSA-N 1 2 246.285 2.899 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCc3ccc(F)cc32)no1 ZINC000673930782 487483228 /nfs/dbraw/zinc/48/32/28/487483228.db2.gz BSBNHVOGSQNDLM-CQSZACIVSA-N 1 2 246.285 2.899 20 0 BFADLO COC[C@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000679905129 487484045 /nfs/dbraw/zinc/48/40/45/487484045.db2.gz MVHUASHFDTYWGX-HNNXBMFYSA-N 1 2 246.354 2.797 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)C[C@@H]1CC=CCC1 ZINC000563425770 487494797 /nfs/dbraw/zinc/49/47/97/487494797.db2.gz KOVGMYBMSRBIOS-CYBMUJFWSA-N 1 2 231.343 2.886 20 0 BFADLO CCC1(CC)C[NH+](Cc2cn(C3CCC3)nn2)C1 ZINC000668231370 487497682 /nfs/dbraw/zinc/49/76/82/487497682.db2.gz XGEDBUPNLRPQOB-UHFFFAOYSA-N 1 2 248.374 2.625 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCOC(C)(C)C2)c1 ZINC000232073728 487501974 /nfs/dbraw/zinc/50/19/74/487501974.db2.gz ALVJTEIRNCSOMY-LLVKDONJSA-N 1 2 220.316 2.760 20 0 BFADLO CC[C@H]1C[C@H](Nc2c[nH+]cc(C)c2)CCO1 ZINC000232074213 487502045 /nfs/dbraw/zinc/50/20/45/487502045.db2.gz BASXUMAPMUGLHK-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO COc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)[nH+]c1 ZINC000666120354 487503934 /nfs/dbraw/zinc/50/39/34/487503934.db2.gz PXXDJQOEKPKXOQ-NGZCFLSTSA-N 1 2 206.289 2.547 20 0 BFADLO CO[C@@H](C)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064648 487504950 /nfs/dbraw/zinc/50/49/50/487504950.db2.gz WFSZQVZMXSSCQD-JTQLQIEISA-N 1 2 237.347 2.611 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@@H]1CCOC1 ZINC000674065752 487507218 /nfs/dbraw/zinc/50/72/18/487507218.db2.gz GODHEZXPSIKWQH-WDEREUQCSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)(C)c1nc(NC[C@]2(C)CCOC2)cc[nH+]1 ZINC000674065726 487507576 /nfs/dbraw/zinc/50/75/76/487507576.db2.gz DSXAFYJLJCWHEL-AWEZNQCLSA-N 1 2 249.358 2.613 20 0 BFADLO CC(C)(C)c1nc(NCc2nccs2)cc[nH+]1 ZINC000674064644 487507730 /nfs/dbraw/zinc/50/77/30/487507730.db2.gz NMMXAEDGLOLSFE-UHFFFAOYSA-N 1 2 248.355 2.843 20 0 BFADLO C[N@@H+](Cc1cccc2cnccc21)CC(F)F ZINC000679984830 487509238 /nfs/dbraw/zinc/50/92/38/487509238.db2.gz SGQBFEGZPIQCPH-UHFFFAOYSA-N 1 2 236.265 2.932 20 0 BFADLO C[N@H+](Cc1cccc2cnccc21)CC(F)F ZINC000679984830 487509242 /nfs/dbraw/zinc/50/92/42/487509242.db2.gz SGQBFEGZPIQCPH-UHFFFAOYSA-N 1 2 236.265 2.932 20 0 BFADLO CC(C)(CO)[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000685578234 487557323 /nfs/dbraw/zinc/55/73/23/487557323.db2.gz JSFUMILBNUUVIT-GFCCVEGCSA-N 1 2 243.297 2.601 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000685927466 487598308 /nfs/dbraw/zinc/59/83/08/487598308.db2.gz ZRURAOQTWBKBEV-NXEZZACHSA-N 1 2 237.347 2.609 20 0 BFADLO CC(C)c1cnc(C[NH+]2CC3(CC3)C2)s1 ZINC000335382884 487621522 /nfs/dbraw/zinc/62/15/22/487621522.db2.gz IUKTYDQTMPGOQN-UHFFFAOYSA-N 1 2 222.357 2.862 20 0 BFADLO CCc1cc(NCCC[C@H]2CCCCO2)nc[nH+]1 ZINC000680624642 487623519 /nfs/dbraw/zinc/62/35/19/487623519.db2.gz ZNZIEPWXQQPJIL-CYBMUJFWSA-N 1 2 249.358 2.800 20 0 BFADLO CCn1c2ccccc2[nH+]c1NCc1cc[nH]c1 ZINC000680851481 487658821 /nfs/dbraw/zinc/65/88/21/487658821.db2.gz HHHQNHLPDCLIRS-UHFFFAOYSA-N 1 2 240.310 2.996 20 0 BFADLO C[C@@H](CCc1ccc(O)cc1)Nc1c[nH]c[nH+]1 ZINC000555104831 487770138 /nfs/dbraw/zinc/77/01/38/487770138.db2.gz SCIDSWMWRDWCJW-JTQLQIEISA-N 1 2 231.299 2.549 20 0 BFADLO Cc1nnc(C[N@@H+](C)C(C)(C)c2ccccc2)o1 ZINC000671246217 487890675 /nfs/dbraw/zinc/89/06/75/487890675.db2.gz DCKYBYAZQAFFMI-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO Cc1nnc(C[N@H+](C)C(C)(C)c2ccccc2)o1 ZINC000671246217 487890685 /nfs/dbraw/zinc/89/06/85/487890685.db2.gz DCKYBYAZQAFFMI-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccsc1 ZINC000669938438 487943055 /nfs/dbraw/zinc/94/30/55/487943055.db2.gz NWSKVERLWCPXKX-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cocn1 ZINC000683353070 488150718 /nfs/dbraw/zinc/15/07/18/488150718.db2.gz SPPHCNBXXOXQPE-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cocn1 ZINC000683353070 488150724 /nfs/dbraw/zinc/15/07/24/488150724.db2.gz SPPHCNBXXOXQPE-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO Fc1ccc(C[N@H+]2CC=CCC2)c(F)c1F ZINC000667946151 488164217 /nfs/dbraw/zinc/16/42/17/488164217.db2.gz CAQTWRLBCCPPGI-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO Fc1ccc(C[N@@H+]2CC=CCC2)c(F)c1F ZINC000667946151 488164222 /nfs/dbraw/zinc/16/42/22/488164222.db2.gz CAQTWRLBCCPPGI-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1[nH]nc2ccccc21 ZINC000678123764 488200471 /nfs/dbraw/zinc/20/04/71/488200471.db2.gz JKETWSVGMFKNBV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1[nH]nc2ccccc21 ZINC000678123764 488200474 /nfs/dbraw/zinc/20/04/74/488200474.db2.gz JKETWSVGMFKNBV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1n[nH]c2ccccc21 ZINC000678123764 488200476 /nfs/dbraw/zinc/20/04/76/488200476.db2.gz JKETWSVGMFKNBV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1n[nH]c2ccccc21 ZINC000678123764 488200480 /nfs/dbraw/zinc/20/04/80/488200480.db2.gz JKETWSVGMFKNBV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(C)cc1C ZINC000678126478 488202158 /nfs/dbraw/zinc/20/21/58/488202158.db2.gz VEURTFCLDBCWIY-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(C)cc1C ZINC000678126478 488202161 /nfs/dbraw/zinc/20/21/61/488202161.db2.gz VEURTFCLDBCWIY-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Fc1ccc(C[NH+]2CC(C3CC3)C2)c(F)c1F ZINC000668182930 488216108 /nfs/dbraw/zinc/21/61/08/488216108.db2.gz RTBCWZZTRDKWQD-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO Cn1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)c1 ZINC000683751874 488216365 /nfs/dbraw/zinc/21/63/65/488216365.db2.gz VGLMFZTYYGCGHM-UHFFFAOYSA-N 1 2 244.273 2.653 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1CCOc2ccccc21 ZINC000678215109 488217866 /nfs/dbraw/zinc/21/78/66/488217866.db2.gz CFINRSQADGTPQS-SNVBAGLBSA-N 1 2 241.281 2.750 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1CCOc2ccccc21 ZINC000678215109 488217869 /nfs/dbraw/zinc/21/78/69/488217869.db2.gz CFINRSQADGTPQS-SNVBAGLBSA-N 1 2 241.281 2.750 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@@H+]2CC2(C)CC2)no1 ZINC000683827365 488227855 /nfs/dbraw/zinc/22/78/55/488227855.db2.gz UAMBRPFFCSWFQY-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@H+]2CC2(C)CC2)no1 ZINC000683827365 488227857 /nfs/dbraw/zinc/22/78/57/488227857.db2.gz UAMBRPFFCSWFQY-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1cc2ccccc2[nH]1 ZINC000678279490 488236156 /nfs/dbraw/zinc/23/61/56/488236156.db2.gz RPCHZKIRBCDGIY-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1cc2ccccc2[nH]1 ZINC000678279490 488236158 /nfs/dbraw/zinc/23/61/58/488236158.db2.gz RPCHZKIRBCDGIY-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2ccco2)o1 ZINC000683897002 488238568 /nfs/dbraw/zinc/23/85/68/488238568.db2.gz HULKWZLXLXKECF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccco2)o1 ZINC000683897002 488238571 /nfs/dbraw/zinc/23/85/71/488238571.db2.gz HULKWZLXLXKECF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(N2CCC3(CC3)C2)c2c([nH+]1)CCCC2 ZINC000672274954 488249574 /nfs/dbraw/zinc/24/95/74/488249574.db2.gz XJRJDQWVCIKFQU-UHFFFAOYSA-N 1 2 243.354 2.654 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(C2CC2)cc1 ZINC000678480482 488259943 /nfs/dbraw/zinc/25/99/43/488259943.db2.gz UTHXTITYEWORBF-UHFFFAOYSA-N 1 2 227.311 2.910 20 0 BFADLO C[C@@H](c1ccccn1)N(C)c1cc[nH+]cc1F ZINC000678787329 488282931 /nfs/dbraw/zinc/28/29/31/488282931.db2.gz JMILEBORNNJQJT-JTQLQIEISA-N 1 2 231.274 2.813 20 0 BFADLO CC[C@@H]1CCCCN1c1cc[nH+]cc1F ZINC000678787121 488282944 /nfs/dbraw/zinc/28/29/44/488282944.db2.gz YWMVJNSWQYITJM-SNVBAGLBSA-N 1 2 208.280 2.990 20 0 BFADLO CC(C)[C@@H]1CN(c2cc[nH+]cc2F)CCS1 ZINC000678787618 488283431 /nfs/dbraw/zinc/28/34/31/488283431.db2.gz UZZOPMLMOWXAQJ-LBPRGKRZSA-N 1 2 240.347 2.799 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000679047139 488304855 /nfs/dbraw/zinc/30/48/55/488304855.db2.gz BECTZKMPJTYVOA-ZDUSSCGKSA-N 1 2 231.299 2.557 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@@H]1F ZINC000679189349 488315154 /nfs/dbraw/zinc/31/51/54/488315154.db2.gz BJHOCPXDMVCOMM-QWRGUYRKSA-N 1 2 247.317 2.758 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1F ZINC000679189352 488315375 /nfs/dbraw/zinc/31/53/75/488315375.db2.gz BJHOCPXDMVCOMM-WDEREUQCSA-N 1 2 247.317 2.758 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1F ZINC000679192681 488315918 /nfs/dbraw/zinc/31/59/18/488315918.db2.gz PDFMOZKIDXGWDS-CMPLNLGQSA-N 1 2 245.301 2.814 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679220201 488318596 /nfs/dbraw/zinc/31/85/96/488318596.db2.gz DAAAWTHQSSVQJA-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)n1 ZINC000679220201 488318597 /nfs/dbraw/zinc/31/85/97/488318597.db2.gz DAAAWTHQSSVQJA-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cs1 ZINC000679227166 488322538 /nfs/dbraw/zinc/32/25/38/488322538.db2.gz WZJHUIHMOQUEBE-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cs1 ZINC000679227166 488322539 /nfs/dbraw/zinc/32/25/39/488322539.db2.gz WZJHUIHMOQUEBE-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc([C@@H](C)Nc2cc[nH+]c(C3CC3)n2)o1 ZINC000679282228 488328924 /nfs/dbraw/zinc/32/89/24/488328924.db2.gz MBEJVOMSLMFCFU-SECBINFHSA-N 1 2 244.298 2.824 20 0 BFADLO CSc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000684617053 488332646 /nfs/dbraw/zinc/33/26/46/488332646.db2.gz MJCHDQOLUCIXBK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000684617053 488332647 /nfs/dbraw/zinc/33/26/47/488332647.db2.gz MJCHDQOLUCIXBK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1 ZINC000684617053 488332648 /nfs/dbraw/zinc/33/26/48/488332648.db2.gz MJCHDQOLUCIXBK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1 ZINC000684617053 488332649 /nfs/dbraw/zinc/33/26/49/488332649.db2.gz MJCHDQOLUCIXBK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1c[nH]cn1 ZINC000684619529 488333074 /nfs/dbraw/zinc/33/30/74/488333074.db2.gz BNLFCDWQUKNNQJ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1c[nH]cn1 ZINC000684619529 488333075 /nfs/dbraw/zinc/33/30/75/488333075.db2.gz BNLFCDWQUKNNQJ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cnc[nH]1 ZINC000684619529 488333076 /nfs/dbraw/zinc/33/30/76/488333076.db2.gz BNLFCDWQUKNNQJ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cnc[nH]1 ZINC000684619529 488333077 /nfs/dbraw/zinc/33/30/77/488333077.db2.gz BNLFCDWQUKNNQJ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000679351103 488343078 /nfs/dbraw/zinc/34/30/78/488343078.db2.gz JDWZKURPVCKTPY-MNOVXSKESA-N 1 2 244.342 2.833 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1cocn1)c1ccc(F)cn1 ZINC000679390782 488349680 /nfs/dbraw/zinc/34/96/80/488349680.db2.gz DGIQVWLDTPUDCI-CYBMUJFWSA-N 1 2 249.289 2.696 20 0 BFADLO C[C@@H](CC(=O)N1[C@H](C)CCC[C@H]1C)n1cc[nH+]c1 ZINC000649572525 490195853 /nfs/dbraw/zinc/19/58/53/490195853.db2.gz ZCYHELJBCPPONV-UPJWGTAASA-N 1 2 249.358 2.624 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2ncccc2c1)C(F)F ZINC000389931703 490275156 /nfs/dbraw/zinc/27/51/56/490275156.db2.gz IZOFKEUWTLZYSL-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO FCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000128187386 490574577 /nfs/dbraw/zinc/57/45/77/490574577.db2.gz IGQNENDDNOJXCA-UHFFFAOYSA-N 1 2 214.190 2.674 20 0 BFADLO c1cc(C[NH2+]Cc2nc3c(s2)CCC3)co1 ZINC000128869771 490593991 /nfs/dbraw/zinc/59/39/91/490593991.db2.gz HXVDCMAZWZNHCJ-UHFFFAOYSA-N 1 2 234.324 2.515 20 0 BFADLO Brc1ccc(C[N@H+]2CC=CCC2)o1 ZINC000306209113 490631222 /nfs/dbraw/zinc/63/12/22/490631222.db2.gz FNNDBKRGXYJEBD-UHFFFAOYSA-N 1 2 242.116 2.804 20 0 BFADLO Brc1ccc(C[N@@H+]2CC=CCC2)o1 ZINC000306209113 490631227 /nfs/dbraw/zinc/63/12/27/490631227.db2.gz FNNDBKRGXYJEBD-UHFFFAOYSA-N 1 2 242.116 2.804 20 0 BFADLO Clc1snnc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000306853710 490647797 /nfs/dbraw/zinc/64/77/97/490647797.db2.gz UDEKFBMALWSMNQ-IONNQARKSA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000306853710 490647801 /nfs/dbraw/zinc/64/78/01/490647801.db2.gz UDEKFBMALWSMNQ-IONNQARKSA-N 1 2 243.763 2.566 20 0 BFADLO CC[C@H]1CC[C@H]1Nc1ccc(OC)c[nH+]1 ZINC000309248902 491053536 /nfs/dbraw/zinc/05/35/36/491053536.db2.gz ZSLISCKXEVGOAE-GXSJLCMTSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(F)c(C)c2)o1 ZINC000227084216 491054862 /nfs/dbraw/zinc/05/48/62/491054862.db2.gz BKCZCPPQAUKGPT-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(C)cc2C)o1 ZINC000227084268 491054991 /nfs/dbraw/zinc/05/49/91/491054991.db2.gz DSHWWEUPECWQHZ-UHFFFAOYSA-N 1 2 230.311 2.890 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000227083833 491054993 /nfs/dbraw/zinc/05/49/93/491054993.db2.gz VJEMKWVRDDLONK-UHFFFAOYSA-N 1 2 230.311 2.890 20 0 BFADLO Cc1[nH+]cccc1NCc1ccc(O)cc1 ZINC000085712130 491052464 /nfs/dbraw/zinc/05/24/64/491052464.db2.gz IMEGBKFHAMQNAO-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO C[C@H](CCc1ccc(F)cc1)Nc1c[nH]c[nH+]1 ZINC000520906239 491062810 /nfs/dbraw/zinc/06/28/10/491062810.db2.gz KOYHBKDWAUODCF-SNVBAGLBSA-N 1 2 233.290 2.982 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(O)cc2)o1 ZINC000227541560 491062865 /nfs/dbraw/zinc/06/28/65/491062865.db2.gz AARCTJNBLYDZNL-SNVBAGLBSA-N 1 2 232.283 2.539 20 0 BFADLO CCc1cc(NC[C@H]2CCCCS2)nc[nH+]1 ZINC000087685975 491091415 /nfs/dbraw/zinc/09/14/15/491091415.db2.gz FRFDGWARZSNYOK-LLVKDONJSA-N 1 2 237.372 2.737 20 0 BFADLO Fc1ccc(C[NH2+]Cc2ccon2)cc1Cl ZINC000088052589 491094069 /nfs/dbraw/zinc/09/40/69/491094069.db2.gz HFUHHQBXUPSMKT-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000088052551 491094183 /nfs/dbraw/zinc/09/41/83/491094183.db2.gz TZRMZNLGJZDVMS-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)C(F)F ZINC000228480991 491094572 /nfs/dbraw/zinc/09/45/72/491094572.db2.gz CPLGNCGOWACULZ-SSDOTTSWSA-N 1 2 203.207 2.569 20 0 BFADLO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccon1 ZINC000132426262 491135863 /nfs/dbraw/zinc/13/58/63/491135863.db2.gz UKQKGEZUVFLWCS-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO CC(C)(CO)[C@H]([NH2+]CC(F)F)c1cccs1 ZINC000309531454 491150424 /nfs/dbraw/zinc/15/04/24/491150424.db2.gz BUPMFVREWJKWQK-SNVBAGLBSA-N 1 2 249.326 2.662 20 0 BFADLO COc1ccc(N[C@@H](C)c2ccoc2)[nH+]c1 ZINC000309854468 491157492 /nfs/dbraw/zinc/15/74/92/491157492.db2.gz JXQCXBMCHMUMBB-VIFPVBQESA-N 1 2 218.256 2.856 20 0 BFADLO C[C@@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492870904 533762671 /nfs/dbraw/zinc/76/26/71/533762671.db2.gz WNAQYNFBXRYSNM-PKJDGDQJSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cc(F)cc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493031292 533826635 /nfs/dbraw/zinc/82/66/35/533826635.db2.gz XGUOOBRSEMXNRP-NSCUHMNNSA-N 1 2 245.257 2.509 20 0 BFADLO C[C@@H]1CC[N@H+](CCOC(C)(C)C)CC1(F)F ZINC000494220756 534033789 /nfs/dbraw/zinc/03/37/89/534033789.db2.gz RZYWNEYHOAZTDE-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO C[C@@H]1CC[N@@H+](CCOC(C)(C)C)CC1(F)F ZINC000494220756 534033791 /nfs/dbraw/zinc/03/37/91/534033791.db2.gz RZYWNEYHOAZTDE-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO COCCCC1(C[N@H+](C)CC(F)F)CCC1 ZINC000891811733 582725216 /nfs/dbraw/zinc/72/52/16/582725216.db2.gz GTMMTCASPZKSIA-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COCCCC1(C[N@@H+](C)CC(F)F)CCC1 ZINC000891811733 582725222 /nfs/dbraw/zinc/72/52/22/582725222.db2.gz GTMMTCASPZKSIA-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COC(=O)[C@@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000475629171 534230639 /nfs/dbraw/zinc/23/06/39/534230639.db2.gz UMQWOVCNBAJGQI-GFCCVEGCSA-N 1 2 249.354 2.504 20 0 BFADLO CC(C)(C)c1coc(C[N@@H+]2CCC2(C)C)n1 ZINC000892058190 582779279 /nfs/dbraw/zinc/77/92/79/582779279.db2.gz RRWLNWCJQTVOCI-UHFFFAOYSA-N 1 2 222.332 2.956 20 0 BFADLO CC(C)(C)c1coc(C[N@H+]2CCC2(C)C)n1 ZINC000892058190 582779284 /nfs/dbraw/zinc/77/92/84/582779284.db2.gz RRWLNWCJQTVOCI-UHFFFAOYSA-N 1 2 222.332 2.956 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2ncccn2)CC1 ZINC000335693902 534544268 /nfs/dbraw/zinc/54/42/68/534544268.db2.gz FVWJHUMYFCCKFI-UHFFFAOYSA-N 1 2 231.343 2.655 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2ncccn2)CC1 ZINC000335693902 534544276 /nfs/dbraw/zinc/54/42/76/534544276.db2.gz FVWJHUMYFCCKFI-UHFFFAOYSA-N 1 2 231.343 2.655 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000175058760 534909399 /nfs/dbraw/zinc/90/93/99/534909399.db2.gz CJWLTTRVGPFPPH-WDEREUQCSA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)c1nc(N2CC[C@@H]2C2CC2)cc[nH+]1 ZINC000336198260 534909563 /nfs/dbraw/zinc/90/95/63/534909563.db2.gz BZGOUGXLMCTOQZ-LLVKDONJSA-N 1 2 217.316 2.589 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000172763665 534912295 /nfs/dbraw/zinc/91/22/95/534912295.db2.gz AIGJQKHOTXIOBE-RYUDHWBXSA-N 1 2 249.358 2.563 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493196422 527733270 /nfs/dbraw/zinc/73/32/70/527733270.db2.gz XFGPEDYWIYJZFS-ABZNLYFFSA-N 1 2 247.342 2.604 20 0 BFADLO CCC[C@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492444993 528091486 /nfs/dbraw/zinc/09/14/86/528091486.db2.gz GNFPBLBWOVGLKK-LAUAKBEESA-N 1 2 249.358 2.611 20 0 BFADLO CCC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(=O)OC ZINC000475085067 528226728 /nfs/dbraw/zinc/22/67/28/528226728.db2.gz DCDLKQMYCLWKBF-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCC[C@H]([NH2+]Cc1cccc(C)c1C)C(=O)OC ZINC000483821663 528229407 /nfs/dbraw/zinc/22/94/07/528229407.db2.gz NFVVWIJNHOCIKE-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815410 528364737 /nfs/dbraw/zinc/36/47/37/528364737.db2.gz WYPTVAHMOHLLGB-WSROAFLRSA-N 1 2 247.342 2.604 20 0 BFADLO CC(C)c1nc(N2CC(C)(C)OC[C@@H]2C)cc[nH+]1 ZINC000487124418 528365785 /nfs/dbraw/zinc/36/57/85/528365785.db2.gz XKLRTOCVKJMSJH-NSHDSACASA-N 1 2 249.358 2.604 20 0 BFADLO CCCC[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000494876843 528555914 /nfs/dbraw/zinc/55/59/14/528555914.db2.gz IMFRIKODGMXCKA-LBPRGKRZSA-N 1 2 236.363 2.816 20 0 BFADLO CC[C@H]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492852640 529253982 /nfs/dbraw/zinc/25/39/82/529253982.db2.gz LWAUYLKFGQJSPH-JFEXWVPNSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493105371 529266776 /nfs/dbraw/zinc/26/67/76/529266776.db2.gz LNZBFSOAFGCXBT-QDZRJHCZSA-N 1 2 247.342 2.604 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000335361824 535146871 /nfs/dbraw/zinc/14/68/71/535146871.db2.gz ZYUQYOGQSKQOCU-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000335361824 535146876 /nfs/dbraw/zinc/14/68/76/535146876.db2.gz ZYUQYOGQSKQOCU-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CN(CC(N)=O)c1cc[nH+]c2c(Cl)cccc12 ZINC000335954591 536166611 /nfs/dbraw/zinc/16/66/11/536166611.db2.gz IHWDSOVYRSVKEQ-UHFFFAOYSA-N 1 2 249.701 2.860 20 0 BFADLO COc1ccc2c(c1)[nH+]ccc2OCCSC ZINC000185793541 537020231 /nfs/dbraw/zinc/02/02/31/537020231.db2.gz VDNHIOPZCJNOEF-UHFFFAOYSA-N 1 2 249.335 2.985 20 0 BFADLO CC(C)CCn1cccc1CNc1c[nH]c[nH+]1 ZINC000518450893 538116530 /nfs/dbraw/zinc/11/65/30/538116530.db2.gz GSEPWMCNZSXZPL-UHFFFAOYSA-N 1 2 232.331 2.869 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000339582712 566373724 /nfs/dbraw/zinc/37/37/24/566373724.db2.gz CTJHMFFNWBCQRI-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)c(Cl)c1 ZINC000339582712 566373732 /nfs/dbraw/zinc/37/37/32/566373732.db2.gz CTJHMFFNWBCQRI-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO CC(C)c1nc(N[C@@H]2COC(C)(C)C2)cc[nH+]1 ZINC000853750482 583063768 /nfs/dbraw/zinc/06/37/68/583063768.db2.gz CLSWYAXYNJSZPD-JTQLQIEISA-N 1 2 235.331 2.579 20 0 BFADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1C ZINC000894035474 583279772 /nfs/dbraw/zinc/27/97/72/583279772.db2.gz YWYNNPAXNWMXDL-UWVGGRQHSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1cc(Br)cc(N2CC=CC2)[nH+]1 ZINC000894176992 583327697 /nfs/dbraw/zinc/32/76/97/583327697.db2.gz AUSGDIPYMGUCIR-UHFFFAOYSA-N 1 2 239.116 2.529 20 0 BFADLO c1cnn(-c2ccc([NH2+]CC3CC=CC3)cc2)n1 ZINC000853058289 588717960 /nfs/dbraw/zinc/71/79/60/588717960.db2.gz VPVTVZHXHDGNFM-UHFFFAOYSA-N 1 2 240.310 2.645 20 0 BFADLO Cc1ccc(Nc2ccc([NH+](C)C)c(C)c2)nn1 ZINC000853159691 588723022 /nfs/dbraw/zinc/72/30/22/588723022.db2.gz FBWDJRDCVVGYPC-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Clc1cnn(C[NH+]2CCCCC2)c1C1CC1 ZINC000853488240 588745453 /nfs/dbraw/zinc/74/54/53/588745453.db2.gz YGJBTZOLZKJWAG-UHFFFAOYSA-N 1 2 239.750 2.857 20 0 BFADLO CCC(C)(C)CCO[NH+]=C(N)COC(C)C ZINC000853659308 588752958 /nfs/dbraw/zinc/75/29/58/588752958.db2.gz WAGAOSNELIYWTO-UHFFFAOYSA-N 1 2 230.352 2.736 20 0 BFADLO NC(=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(F)c1 ZINC000853662943 588753870 /nfs/dbraw/zinc/75/38/70/588753870.db2.gz OVOPOIOCLDGONM-YHPBZONMSA-N 1 2 248.301 2.718 20 0 BFADLO CC(C)=CCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000853675286 588754841 /nfs/dbraw/zinc/75/48/41/588754841.db2.gz RNZCMTRZKJYILS-GFCCVEGCSA-N 1 2 242.363 2.902 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)C(C)C ZINC000853674787 588754849 /nfs/dbraw/zinc/75/48/49/588754849.db2.gz IONJVBQAPFWJFU-GHMZBOCLSA-N 1 2 230.352 2.590 20 0 BFADLO CCC(CC)CO[NH+]=C(N)COC(C)(C)C ZINC000853688196 588756472 /nfs/dbraw/zinc/75/64/72/588756472.db2.gz IPQDLTCKFXRLFR-UHFFFAOYSA-N 1 2 230.352 2.736 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000853872479 588767005 /nfs/dbraw/zinc/76/70/05/588767005.db2.gz VMGZJIGFAJXDMJ-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO COCC1(Nc2cc[nH+]c(C(C)C)n2)CCCC1 ZINC000853757477 588761881 /nfs/dbraw/zinc/76/18/81/588761881.db2.gz TZJIOISYHQBKHF-UHFFFAOYSA-N 1 2 249.358 2.971 20 0 BFADLO CC(C)c1nc(N[C@H]2C=CCC2)cc[nH+]1 ZINC000853800994 588763987 /nfs/dbraw/zinc/76/39/87/588763987.db2.gz KBXKXIGDNVVDGJ-JTQLQIEISA-N 1 2 203.289 2.731 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC[C@@H](C)O2)cc[nH+]1 ZINC000853851091 588766051 /nfs/dbraw/zinc/76/60/51/588766051.db2.gz ZEFSAFXBJAGRCM-NEPJUHHUSA-N 1 2 249.358 2.970 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCOC2(C)C)cc[nH+]1 ZINC000853966050 588770409 /nfs/dbraw/zinc/77/04/09/588770409.db2.gz OFLVQTMMBYISFM-NSHDSACASA-N 1 2 249.358 2.827 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2[C@@H]3CCCCCC[C@@H]32)n1 ZINC000854131889 588775924 /nfs/dbraw/zinc/77/59/24/588775924.db2.gz BBHXRCRDFYXFCS-PJXYFTJBSA-N 1 2 249.358 2.863 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C/C1CCCCC1 ZINC000855134714 588822934 /nfs/dbraw/zinc/82/29/34/588822934.db2.gz XUVFCCDUQNSXGN-BQYQJAHWSA-N 1 2 247.342 2.505 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C/C1CCCCC1 ZINC000855134714 588822935 /nfs/dbraw/zinc/82/29/35/588822935.db2.gz XUVFCCDUQNSXGN-BQYQJAHWSA-N 1 2 247.342 2.505 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1cn2c(n1)CCCC2 ZINC000813322781 582607126 /nfs/dbraw/zinc/60/71/26/582607126.db2.gz HPIMEQDORRQOAF-NSHDSACASA-N 1 2 245.326 2.663 20 0 BFADLO C[C@H](NCc1ccco1)c1cn2c([nH+]1)CCCC2 ZINC000813322781 582607127 /nfs/dbraw/zinc/60/71/27/582607127.db2.gz HPIMEQDORRQOAF-NSHDSACASA-N 1 2 245.326 2.663 20 0 BFADLO CCC[C@H](C)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845528781 582613327 /nfs/dbraw/zinc/61/33/27/582613327.db2.gz HADNMLDZZAUYGV-RYUDHWBXSA-N 1 2 238.331 2.814 20 0 BFADLO CCC(CC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891427165 582682604 /nfs/dbraw/zinc/68/26/04/582682604.db2.gz RIWSDYFWYHSAGJ-VIFPVBQESA-N 1 2 208.305 2.735 20 0 BFADLO COC[C@@H](C)Nc1ccc2ccc(OC)cc2[nH+]1 ZINC000891438517 582685055 /nfs/dbraw/zinc/68/50/55/582685055.db2.gz NNDYZEAGIQKANI-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO Cn1ncc(C[N@H+](C)Cc2ccco2)c1C1CC1 ZINC000891487670 582692106 /nfs/dbraw/zinc/69/21/06/582692106.db2.gz MVXDDQWRSYNWGW-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1ncc(C[N@@H+](C)Cc2ccco2)c1C1CC1 ZINC000891487670 582692108 /nfs/dbraw/zinc/69/21/08/582692108.db2.gz MVXDDQWRSYNWGW-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO C[C@@H](O)c1cccc(NCCc2ccsc2)[nH+]1 ZINC000891752464 582716810 /nfs/dbraw/zinc/71/68/10/582716810.db2.gz JJGRYOZCAAKRFA-SNVBAGLBSA-N 1 2 248.351 2.851 20 0 BFADLO C[C@H](O)c1cccc(NCCc2ccsc2)[nH+]1 ZINC000891752463 582717035 /nfs/dbraw/zinc/71/70/35/582717035.db2.gz JJGRYOZCAAKRFA-JTQLQIEISA-N 1 2 248.351 2.851 20 0 BFADLO CCc1cc(NCc2ccoc2)nc(CC)[nH+]1 ZINC000891995105 582756256 /nfs/dbraw/zinc/75/62/56/582756256.db2.gz FNRBHCQSQRQSCP-UHFFFAOYSA-N 1 2 231.299 2.807 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C2)nc(C2CCC2)[nH+]1 ZINC000892254594 582813773 /nfs/dbraw/zinc/81/37/73/582813773.db2.gz QWFIGDLRNBAUTC-SNVBAGLBSA-N 1 2 231.343 2.899 20 0 BFADLO C[C@@H]1CCN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000892253636 582813810 /nfs/dbraw/zinc/81/38/10/582813810.db2.gz DTQNRGLPPGHQCG-GFCCVEGCSA-N 1 2 239.322 2.990 20 0 BFADLO CCCCC1(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000889530763 582823092 /nfs/dbraw/zinc/82/30/92/582823092.db2.gz BKOKWOCIRYCJMR-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO COc1ccc(CNc2ccc([NH+](C)C)cc2)o1 ZINC000892313058 582837298 /nfs/dbraw/zinc/83/72/98/582837298.db2.gz IIGYBAPNIQAFAQ-UHFFFAOYSA-N 1 2 246.310 2.966 20 0 BFADLO CCc1cc(NC2CCC2)nc(CC)[nH+]1 ZINC000892401688 582876640 /nfs/dbraw/zinc/87/66/40/582876640.db2.gz JZTAFBAYZFMTQD-UHFFFAOYSA-N 1 2 205.305 2.566 20 0 BFADLO CSCCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000892603046 582925569 /nfs/dbraw/zinc/92/55/69/582925569.db2.gz GSJYMGHECXOMOS-JTQLQIEISA-N 1 2 240.372 2.690 20 0 BFADLO CSCC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892606331 582928128 /nfs/dbraw/zinc/92/81/28/582928128.db2.gz ZZPOVCQKDIBZJU-VHSXEESVSA-N 1 2 240.372 2.688 20 0 BFADLO Cc1cc(N[C@@H]2CCSC2)nc(C2CCC2)[nH+]1 ZINC000892702671 582960398 /nfs/dbraw/zinc/96/03/98/582960398.db2.gz GMGZWFUDNAJGBZ-LLVKDONJSA-N 1 2 249.383 2.970 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+]CC(C)(F)F)s1 ZINC000393441647 582964293 /nfs/dbraw/zinc/96/42/93/582964293.db2.gz ZXDDCNVIHWVFLX-ZCFIWIBFSA-N 1 2 220.288 2.757 20 0 BFADLO CC(C)Cc1ccc(C[NH2+]Cc2cocn2)cn1 ZINC000892976660 583024244 /nfs/dbraw/zinc/02/42/44/583024244.db2.gz HPSKVWQIVAPKBN-UHFFFAOYSA-N 1 2 245.326 2.558 20 0 BFADLO Cc1cc(N[C@@H](C)C[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893127174 583053975 /nfs/dbraw/zinc/05/39/75/583053975.db2.gz MIXRRWVVIYJRES-GXSJLCMTSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1cc(N[C@@H](C)C[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893127179 583054046 /nfs/dbraw/zinc/05/40/46/583054046.db2.gz MIXRRWVVIYJRES-ONGXEEELSA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)c1nc(N[C@H]2COC(C)(C)C2)cc[nH+]1 ZINC000853750483 583064097 /nfs/dbraw/zinc/06/40/97/583064097.db2.gz CLSWYAXYNJSZPD-SNVBAGLBSA-N 1 2 235.331 2.579 20 0 BFADLO CCCC[C@@H](C(=O)NC1=[NH+]CCS1)C(C)C ZINC000856734150 588875474 /nfs/dbraw/zinc/87/54/74/588875474.db2.gz MOUJRTSMYNDYPU-SNVBAGLBSA-N 1 2 242.388 2.668 20 0 BFADLO Cc1c[nH+]cc(NCc2cnn(C)c2C2CC2)c1 ZINC000893197784 583068930 /nfs/dbraw/zinc/06/89/30/583068930.db2.gz NIQUMYIUOJCYFP-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO COc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000398014004 583116999 /nfs/dbraw/zinc/11/69/99/583116999.db2.gz VDOPPLPLNNQZTA-GFCCVEGCSA-N 1 2 241.281 2.973 20 0 BFADLO Cc1cc(NCC[C@@H]2CC2(Cl)Cl)nc[nH+]1 ZINC000856784424 588877421 /nfs/dbraw/zinc/87/74/21/588877421.db2.gz FUBHUWSRLLGYQJ-MRVPVSSYSA-N 1 2 246.141 2.781 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)cn1 ZINC000398185677 583124050 /nfs/dbraw/zinc/12/40/50/583124050.db2.gz IQQPGKLYHRXMKV-ONGXEEELSA-N 1 2 243.301 2.741 20 0 BFADLO CC(C)n1cc(C[NH2+][C@H]2CCCC2(F)F)cn1 ZINC000398234302 583125778 /nfs/dbraw/zinc/12/57/78/583125778.db2.gz YEELLYNWESFUMC-NSHDSACASA-N 1 2 243.301 2.741 20 0 BFADLO CC(C)=CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893451493 583145653 /nfs/dbraw/zinc/14/56/53/583145653.db2.gz GBUTYOZUPCZHSP-SNVBAGLBSA-N 1 2 206.289 2.513 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C(C)(C)C1CC1 ZINC000893526444 583157924 /nfs/dbraw/zinc/15/79/24/583157924.db2.gz ACFCYIPVNWEEIR-NSHDSACASA-N 1 2 248.326 2.616 20 0 BFADLO CC1(F)CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000893589383 583167965 /nfs/dbraw/zinc/16/79/65/583167965.db2.gz GXTNGCYADDQYEY-UHFFFAOYSA-N 1 2 247.317 2.780 20 0 BFADLO CC(C)SCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000893850188 583232775 /nfs/dbraw/zinc/23/27/75/583232775.db2.gz OTTVTFSHYKGVDZ-SNVBAGLBSA-N 1 2 240.372 2.688 20 0 BFADLO Cc1cc(N[C@H]2CCCOC2)nc(C2CCC2)[nH+]1 ZINC000893876266 583240051 /nfs/dbraw/zinc/24/00/51/583240051.db2.gz MRTNCZCDTIMPID-LBPRGKRZSA-N 1 2 247.342 2.643 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893915755 583245911 /nfs/dbraw/zinc/24/59/11/583245911.db2.gz FAQPBADPRUPRRW-MNOVXSKESA-N 1 2 249.358 2.888 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000893952524 583261747 /nfs/dbraw/zinc/26/17/47/583261747.db2.gz KCOVUOMYZZWPTO-VHSXEESVSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000893952524 583261748 /nfs/dbraw/zinc/26/17/48/583261748.db2.gz KCOVUOMYZZWPTO-VHSXEESVSA-N 1 2 241.356 2.611 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1[nH]nc(C)c1C ZINC000893993350 583267708 /nfs/dbraw/zinc/26/77/08/583267708.db2.gz PDMFWRBNJUJEHM-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1[nH]nc(C)c1C ZINC000893993350 583267709 /nfs/dbraw/zinc/26/77/09/583267709.db2.gz PDMFWRBNJUJEHM-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1C ZINC000893988050 583270008 /nfs/dbraw/zinc/27/00/08/583270008.db2.gz YBCLDGLONMZAQU-BXKDBHETSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1C ZINC000893988050 583270009 /nfs/dbraw/zinc/27/00/09/583270009.db2.gz YBCLDGLONMZAQU-BXKDBHETSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000894000327 583271551 /nfs/dbraw/zinc/27/15/51/583271551.db2.gz QGDXDQHPLZYBAR-KOLCDFICSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1n[nH]c(C[NH+]2Cc3ccccc3C2)c1C ZINC000894005709 583273628 /nfs/dbraw/zinc/27/36/28/583273628.db2.gz KVFGLGISVPXMEV-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1C ZINC000894035474 583279770 /nfs/dbraw/zinc/27/97/70/583279770.db2.gz YWYNNPAXNWMXDL-UWVGGRQHSA-N 1 2 221.348 2.647 20 0 BFADLO CC(C)[C@@H]1C[C@H]1CNc1cccc([C@H](C)O)[nH+]1 ZINC000894082487 583294621 /nfs/dbraw/zinc/29/46/21/583294621.db2.gz ZDWLVKDCCDGONQ-SRVKXCTJSA-N 1 2 234.343 2.839 20 0 BFADLO CC(C)[C@@]1(C)C[C@@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894160837 583321699 /nfs/dbraw/zinc/32/16/99/583321699.db2.gz DQKQSGVTVTUDLO-VHRBIJSZSA-N 1 2 234.343 2.981 20 0 BFADLO Fc1ccc2oc(C[NH+]3CC4(CC4)C3)nc2c1 ZINC000877555915 583327284 /nfs/dbraw/zinc/32/72/84/583327284.db2.gz GSZJRQKSEQROAU-UHFFFAOYSA-N 1 2 232.258 2.563 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(\C)c2cccs2)n1 ZINC000857255330 588901392 /nfs/dbraw/zinc/90/13/92/588901392.db2.gz TXBHWBQMEBUGCS-VQHVLOKHSA-N 1 2 249.339 2.801 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878321680 583369393 /nfs/dbraw/zinc/36/93/93/583369393.db2.gz SIHRGGDDQJSIAQ-BJDJZHNGSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878321680 583369395 /nfs/dbraw/zinc/36/93/95/583369395.db2.gz SIHRGGDDQJSIAQ-BJDJZHNGSA-N 1 2 245.313 2.674 20 0 BFADLO Cc1nn(C)c(C[N@@H+]2CCC=C(C)C2)c1Cl ZINC000894223024 583382616 /nfs/dbraw/zinc/38/26/16/583382616.db2.gz VFCRDHSPMOXXRF-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO Cc1nn(C)c(C[N@H+]2CCC=C(C)C2)c1Cl ZINC000894223024 583382619 /nfs/dbraw/zinc/38/26/19/583382619.db2.gz VFCRDHSPMOXXRF-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO CC1(C)Cc2cc(NCc3c[nH+]c[nH]3)ccc2O1 ZINC000894402229 583449944 /nfs/dbraw/zinc/44/99/44/583449944.db2.gz NLEFEYCDFFEJPU-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO CC1(C)Cc2cc(NCc3c[nH]c[nH+]3)ccc2O1 ZINC000894402229 583449947 /nfs/dbraw/zinc/44/99/47/583449947.db2.gz NLEFEYCDFFEJPU-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO CSc1cccc(N(C)Cc2c[nH+]c[nH]2)c1 ZINC000894461567 583467004 /nfs/dbraw/zinc/46/70/04/583467004.db2.gz HBXAMUAGODVIQD-UHFFFAOYSA-N 1 2 233.340 2.768 20 0 BFADLO CSc1cccc(N(C)Cc2c[nH]c[nH+]2)c1 ZINC000894461567 583467007 /nfs/dbraw/zinc/46/70/07/583467007.db2.gz HBXAMUAGODVIQD-UHFFFAOYSA-N 1 2 233.340 2.768 20 0 BFADLO C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000894627480 583495386 /nfs/dbraw/zinc/49/53/86/583495386.db2.gz HTYIHOMEAGZONK-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000894627480 583495388 /nfs/dbraw/zinc/49/53/88/583495388.db2.gz HTYIHOMEAGZONK-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO CC(C)CCCCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000894639048 583498004 /nfs/dbraw/zinc/49/80/04/583498004.db2.gz IDFKSZHRQKRDBY-OKILXGFUSA-N 1 2 226.408 2.837 20 0 BFADLO CC(C)CCCCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000894639048 583498006 /nfs/dbraw/zinc/49/80/06/583498006.db2.gz IDFKSZHRQKRDBY-OKILXGFUSA-N 1 2 226.408 2.837 20 0 BFADLO CC(C)(C)c1coc(C[NH+]2CC3(CC3)C2)n1 ZINC000894663368 583502450 /nfs/dbraw/zinc/50/24/50/583502450.db2.gz JHWHNBDAXNYYTC-UHFFFAOYSA-N 1 2 220.316 2.568 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000894670121 583503032 /nfs/dbraw/zinc/50/30/32/583503032.db2.gz CGOSRXRUSBOLGY-ZDUSSCGKSA-N 1 2 236.334 2.824 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000894670121 583503034 /nfs/dbraw/zinc/50/30/34/583503034.db2.gz CGOSRXRUSBOLGY-ZDUSSCGKSA-N 1 2 236.334 2.824 20 0 BFADLO Cc1cc(C[NH+]2CC(C(F)(F)F)C2)c(C)o1 ZINC000894892221 583548800 /nfs/dbraw/zinc/54/88/00/583548800.db2.gz MDBHLGGILIHVMZ-UHFFFAOYSA-N 1 2 233.233 2.891 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1C ZINC000894904929 583553439 /nfs/dbraw/zinc/55/34/39/583553439.db2.gz BKAUMSRUKZMMTH-UKRRQHHQSA-N 1 2 245.370 2.647 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCCC[C@@H]2F)[nH+]1 ZINC000894925520 583556754 /nfs/dbraw/zinc/55/67/54/583556754.db2.gz MOZQLOGBPHZMPA-JBLDHEPKSA-N 1 2 238.306 2.828 20 0 BFADLO Cc1ccc(CNc2cccc([C@@H](C)O)[nH+]2)o1 ZINC000894979725 583563474 /nfs/dbraw/zinc/56/34/74/583563474.db2.gz ZAUZYWNRDUPTES-SNVBAGLBSA-N 1 2 232.283 2.648 20 0 BFADLO CSC(C)(C)CCNc1cc(CO)cc[nH+]1 ZINC000895038551 583570279 /nfs/dbraw/zinc/57/02/79/583570279.db2.gz TXIZLQCQKWRHSK-UHFFFAOYSA-N 1 2 240.372 2.518 20 0 BFADLO C[C@H](O)c1cccc(NC[C@H]2C=CCC2)[nH+]1 ZINC000895131602 583600925 /nfs/dbraw/zinc/60/09/25/583600925.db2.gz YEPWPXOYQLAZPV-QWRGUYRKSA-N 1 2 218.300 2.513 20 0 BFADLO CCc1cc[nH+]cc1NCc1ocnc1C ZINC000895142755 583603663 /nfs/dbraw/zinc/60/36/63/583603663.db2.gz VJYFUHSIFOAQOA-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CSc1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000895149730 583606124 /nfs/dbraw/zinc/60/61/24/583606124.db2.gz ANNFGSCJZKFUAY-VIFPVBQESA-N 1 2 229.320 2.935 20 0 BFADLO CSc1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000895149730 583606127 /nfs/dbraw/zinc/60/61/27/583606127.db2.gz ANNFGSCJZKFUAY-VIFPVBQESA-N 1 2 229.320 2.935 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H](F)C2)sc1C ZINC000895190813 583620088 /nfs/dbraw/zinc/62/00/88/583620088.db2.gz BRJCHCMFMDMITQ-JTQLQIEISA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H](F)C2)sc1C ZINC000895190813 583620089 /nfs/dbraw/zinc/62/00/89/583620089.db2.gz BRJCHCMFMDMITQ-JTQLQIEISA-N 1 2 228.336 2.694 20 0 BFADLO Oc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000895191802 583621914 /nfs/dbraw/zinc/62/19/14/583621914.db2.gz SIGZLRLYHRWDGP-NSHDSACASA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000895191802 583621915 /nfs/dbraw/zinc/62/19/15/583621915.db2.gz SIGZLRLYHRWDGP-NSHDSACASA-N 1 2 243.709 2.980 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)[nH+]1 ZINC000895208582 583626024 /nfs/dbraw/zinc/62/60/24/583626024.db2.gz VAYJTFPXPMPTPN-NWBUJAPZSA-N 1 2 246.354 2.839 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1Cc2ccncc2C1 ZINC000857877206 588918931 /nfs/dbraw/zinc/91/89/31/588918931.db2.gz WTOANRVJYAVVDE-UHFFFAOYSA-N 1 2 234.343 2.602 20 0 BFADLO CC(C)(C)OCCC[N@H+]1Cc2ccncc2C1 ZINC000857877206 588918932 /nfs/dbraw/zinc/91/89/32/588918932.db2.gz WTOANRVJYAVVDE-UHFFFAOYSA-N 1 2 234.343 2.602 20 0 BFADLO C[C@H]1OCC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000147614610 583655741 /nfs/dbraw/zinc/65/57/41/583655741.db2.gz HCODNRVTKCVQDP-IUODEOHRSA-N 1 2 246.354 2.876 20 0 BFADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1cccnc1 ZINC000727464475 583655965 /nfs/dbraw/zinc/65/59/65/583655965.db2.gz RIPJWGHZRPZFES-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO C[C@@H](O)c1cccc(NCC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000895425055 583667205 /nfs/dbraw/zinc/66/72/05/583667205.db2.gz GGHBEXKFYITMRX-RTXFEEFZSA-N 1 2 246.354 2.983 20 0 BFADLO C[C@]1(C[N@@H+]2CC[C@H]2C(F)F)CCCS1 ZINC000895430082 583669462 /nfs/dbraw/zinc/66/94/62/583669462.db2.gz BXMWOTQXTDAQJA-WCBMZHEXSA-N 1 2 221.316 2.612 20 0 BFADLO C[C@]1(C[N@H+]2CC[C@H]2C(F)F)CCCS1 ZINC000895430082 583669463 /nfs/dbraw/zinc/66/94/63/583669463.db2.gz BXMWOTQXTDAQJA-WCBMZHEXSA-N 1 2 221.316 2.612 20 0 BFADLO Cc1cc[nH+]cc1CCCN1CC[C@@H]1C(F)F ZINC000895430020 583669701 /nfs/dbraw/zinc/66/97/01/583669701.db2.gz AHHYEDIKLVIXKZ-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO C[C@]1(C[N@@H+]2CC[C@@H]2C(F)F)CCCS1 ZINC000895430079 583669721 /nfs/dbraw/zinc/66/97/21/583669721.db2.gz BXMWOTQXTDAQJA-PSASIEDQSA-N 1 2 221.316 2.612 20 0 BFADLO C[C@]1(C[N@H+]2CC[C@@H]2C(F)F)CCCS1 ZINC000895430079 583669723 /nfs/dbraw/zinc/66/97/23/583669723.db2.gz BXMWOTQXTDAQJA-PSASIEDQSA-N 1 2 221.316 2.612 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000895430824 583669991 /nfs/dbraw/zinc/66/99/91/583669991.db2.gz IIWRNWQSVNISMH-ZNSHCXBVSA-N 1 2 215.287 2.762 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000895430824 583669992 /nfs/dbraw/zinc/66/99/92/583669992.db2.gz IIWRNWQSVNISMH-ZNSHCXBVSA-N 1 2 215.287 2.762 20 0 BFADLO CSC1(C[N@@H+]2CC[C@@H]2C(F)F)CCC1 ZINC000895431010 583670054 /nfs/dbraw/zinc/67/00/54/583670054.db2.gz IZZSQWCQCPBISN-MRVPVSSYSA-N 1 2 221.316 2.612 20 0 BFADLO CSC1(C[N@H+]2CC[C@@H]2C(F)F)CCC1 ZINC000895431010 583670055 /nfs/dbraw/zinc/67/00/55/583670055.db2.gz IZZSQWCQCPBISN-MRVPVSSYSA-N 1 2 221.316 2.612 20 0 BFADLO CCC[C@@H](CNc1c[nH+]c(C)c(C)c1)OC ZINC000895646682 583698901 /nfs/dbraw/zinc/69/89/01/583698901.db2.gz XPHADEWQEJZPSC-ZDUSSCGKSA-N 1 2 222.332 2.925 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)c[nH+]c1C ZINC000895645135 583700297 /nfs/dbraw/zinc/70/02/97/583700297.db2.gz NIYWSKCKKIZUTO-UONOGXRCSA-N 1 2 232.327 2.678 20 0 BFADLO Cc1cc(N[C@H]2COCC2(C)C)c[nH+]c1C ZINC000895645053 583700614 /nfs/dbraw/zinc/70/06/14/583700614.db2.gz LGFYPTYZUKOZRG-LBPRGKRZSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(NCCC[C@H]2CCO2)c[nH+]c1C ZINC000895645074 583700640 /nfs/dbraw/zinc/70/06/40/583700640.db2.gz LSOUXOAJTKWVNW-ZDUSSCGKSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1cc(N2CCC[C@H]2COC(C)(C)C)nc[nH+]1 ZINC000895657910 583701765 /nfs/dbraw/zinc/70/17/65/583701765.db2.gz RUBKDKCEWAZIQV-LBPRGKRZSA-N 1 2 249.358 2.569 20 0 BFADLO Cc1nc(N2CCC[C@H]2COC(C)(C)C)cc[nH+]1 ZINC000895660626 583702401 /nfs/dbraw/zinc/70/24/01/583702401.db2.gz VIKZJPDEDPUFPR-LBPRGKRZSA-N 1 2 249.358 2.569 20 0 BFADLO COCCCC1(C[N@@H+]2CC[C@@H]2C(F)F)CCC1 ZINC000895727308 583713516 /nfs/dbraw/zinc/71/35/16/583713516.db2.gz LNOZEVKSRZCSQT-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO COCCCC1(C[N@H+]2CC[C@@H]2C(F)F)CCC1 ZINC000895727308 583713518 /nfs/dbraw/zinc/71/35/18/583713518.db2.gz LNOZEVKSRZCSQT-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@H]1CCN(c2[nH+]ccc3ccccc32)CCO1 ZINC000895763872 583722776 /nfs/dbraw/zinc/72/27/76/583722776.db2.gz DHZDQWGUWOQLRJ-LBPRGKRZSA-N 1 2 242.322 2.850 20 0 BFADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)CCO1 ZINC000895763871 583722793 /nfs/dbraw/zinc/72/27/93/583722793.db2.gz DHZDQWGUWOQLRJ-GFCCVEGCSA-N 1 2 242.322 2.850 20 0 BFADLO CC(C)CCCCC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857976835 588926069 /nfs/dbraw/zinc/92/60/69/588926069.db2.gz NAPZIXHMDKTNQB-GFCCVEGCSA-N 1 2 249.358 2.661 20 0 BFADLO COc1ccc(C[NH+]2CC(OC(C)C)C2)c(C)c1 ZINC000895956817 583752479 /nfs/dbraw/zinc/75/24/79/583752479.db2.gz UTQVODORDVXEES-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO COCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC000895971920 583756104 /nfs/dbraw/zinc/75/61/04/583756104.db2.gz XFEPBWFBSVQXSN-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980400 588927257 /nfs/dbraw/zinc/92/72/57/588927257.db2.gz XTIINGAKVWPRPN-SMDDNHRTSA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980397 588927500 /nfs/dbraw/zinc/92/75/00/588927500.db2.gz XTIINGAKVWPRPN-BXUZGUMPSA-N 1 2 249.358 2.661 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)sc1=S ZINC000727824772 583779837 /nfs/dbraw/zinc/77/98/37/583779837.db2.gz RJZGMJNZSWGRQO-SECBINFHSA-N 1 2 243.401 2.814 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cn1nc(C)sc1=S ZINC000727824772 583779839 /nfs/dbraw/zinc/77/98/39/583779839.db2.gz RJZGMJNZSWGRQO-SECBINFHSA-N 1 2 243.401 2.814 20 0 BFADLO Cc1[nH+]cnc(N2CCC(F)(C3CC3)CC2)c1C ZINC000896237253 583785631 /nfs/dbraw/zinc/78/56/31/583785631.db2.gz NWRLXSBVSOOZRA-UHFFFAOYSA-N 1 2 249.333 2.812 20 0 BFADLO Cc1nc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)cc[nH+]1 ZINC000896367496 583797260 /nfs/dbraw/zinc/79/72/60/583797260.db2.gz DQSPKPKSCVDZIW-ZIAGYGMSSA-N 1 2 243.354 2.800 20 0 BFADLO C/C(=C/C(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)(C)C ZINC000896915360 583854498 /nfs/dbraw/zinc/85/44/98/583854498.db2.gz KIYGRZLDUVPIKU-CLFYSBASSA-N 1 2 249.358 2.635 20 0 BFADLO CC(=CC(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)(C)C ZINC000896915360 583854501 /nfs/dbraw/zinc/85/45/01/583854501.db2.gz KIYGRZLDUVPIKU-CLFYSBASSA-N 1 2 249.358 2.635 20 0 BFADLO CCc1nc(N2CC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000897156541 583886636 /nfs/dbraw/zinc/88/66/36/583886636.db2.gz OAUZZLXJQGPLMW-GFCCVEGCSA-N 1 2 231.343 2.808 20 0 BFADLO CCc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)cc[nH+]1 ZINC000897176520 583889163 /nfs/dbraw/zinc/88/91/63/583889163.db2.gz ZCCAFZZEXQUKCZ-HBNTYKKESA-N 1 2 217.316 2.640 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@@H]3CCC[C@H]23)[nH+]1 ZINC000897177506 583890630 /nfs/dbraw/zinc/89/06/30/583890630.db2.gz QMGFOYUGDYBCBQ-MRBYEJRBSA-N 1 2 232.327 2.735 20 0 BFADLO c1cc(N[C@@H]2C[C@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000897182277 583892397 /nfs/dbraw/zinc/89/23/97/583892397.db2.gz YTYUMQMINQMAHJ-IJLUTSLNSA-N 1 2 229.327 2.955 20 0 BFADLO CC1(C)CCC[C@@H](CNc2cccc[nH+]2)O1 ZINC000897254810 583904162 /nfs/dbraw/zinc/90/41/62/583904162.db2.gz AFFWTVIZLDHBKL-NSHDSACASA-N 1 2 220.316 2.841 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000858259585 588940693 /nfs/dbraw/zinc/94/06/93/588940693.db2.gz VNOOUVVKTFRBLN-UHFFFAOYSA-N 1 2 239.269 2.698 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CC=CC[C@H]2C)[nH+]1 ZINC000897392629 583948623 /nfs/dbraw/zinc/94/86/23/583948623.db2.gz ITQMZUPLZKJPDR-GRYCIOLGSA-N 1 2 232.327 2.902 20 0 BFADLO COCCCNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865397743 584017873 /nfs/dbraw/zinc/01/78/73/584017873.db2.gz LJARCRDEXQWCPJ-UHFFFAOYSA-N 1 2 248.248 2.857 20 0 BFADLO c1ccc(N2CCCC[C@@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000897569413 584019731 /nfs/dbraw/zinc/01/97/31/584019731.db2.gz QCHYBULZJBUGCK-ZIAGYGMSSA-N 1 2 246.354 2.725 20 0 BFADLO Cc1c[nH]c(CNc2ccc(N(C)C)c(F)c2)[nH+]1 ZINC000865863404 584032416 /nfs/dbraw/zinc/03/24/16/584032416.db2.gz DNEHYIWARMABHJ-UHFFFAOYSA-N 1 2 248.305 2.535 20 0 BFADLO COC[C@@H](C)CNc1c[nH+]cc(C(C)C)c1 ZINC000897707482 584041699 /nfs/dbraw/zinc/04/16/99/584041699.db2.gz PNFNCKSLUAJCJQ-NSHDSACASA-N 1 2 222.332 2.899 20 0 BFADLO CC(C)(C)c1coc(C[NH2+]CC2(F)CC2)n1 ZINC000897944975 584062847 /nfs/dbraw/zinc/06/28/47/584062847.db2.gz VXBRQWLLLCXTJG-UHFFFAOYSA-N 1 2 226.295 2.564 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)no1 ZINC000866451671 584119349 /nfs/dbraw/zinc/11/93/49/584119349.db2.gz OKKNVJAEOVMPGV-GARJFASQSA-N 1 2 226.295 2.914 20 0 BFADLO CC(C)(C)c1coc(C[NH2+]C/C=C\Cl)n1 ZINC000898424276 584132219 /nfs/dbraw/zinc/13/22/19/584132219.db2.gz DGDKIGQRCMLAQF-PLNGDYQASA-N 1 2 228.723 2.814 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccns1 ZINC000858575630 588967848 /nfs/dbraw/zinc/96/78/48/588967848.db2.gz CELXSPHKOGVWNL-UWVGGRQHSA-N 1 2 248.355 2.525 20 0 BFADLO C/C=C/CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000858799964 588976598 /nfs/dbraw/zinc/97/65/98/588976598.db2.gz IGFSYIQIZHSQLP-AATRIKPKSA-N 1 2 245.330 2.569 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccns1 ZINC000858829796 588977471 /nfs/dbraw/zinc/97/74/71/588977471.db2.gz LRRXKRNIXFVQSC-MRVPVSSYSA-N 1 2 246.339 2.984 20 0 BFADLO C[C@@H]1CCC[C@H](OC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000901235417 584404655 /nfs/dbraw/zinc/40/46/55/584404655.db2.gz VWFYSGWCCXECAJ-VKYBYORPSA-N 1 2 248.326 2.555 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC[C@H]3CCCO3)ccc2O1 ZINC000901449059 584447764 /nfs/dbraw/zinc/44/77/64/584447764.db2.gz XWNZPLNUXMRRJH-SMDDNHRTSA-N 1 2 247.338 2.991 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCC3(O)CCC3)ccc2O1 ZINC000901448652 584447801 /nfs/dbraw/zinc/44/78/01/584447801.db2.gz WWWCVMXBNYEINM-NSHDSACASA-N 1 2 247.338 2.727 20 0 BFADLO Cc1ccc(CSCCn2cc[nH+]c2)o1 ZINC000901671757 584478343 /nfs/dbraw/zinc/47/83/43/584478343.db2.gz JHIGCTFPTZXAGI-UHFFFAOYSA-N 1 2 222.313 2.718 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000901972857 584508877 /nfs/dbraw/zinc/50/88/77/584508877.db2.gz UFBFGIPKBZLGSQ-DOMZBBRYSA-N 1 2 247.338 2.842 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000901972861 584509002 /nfs/dbraw/zinc/50/90/02/584509002.db2.gz UFBFGIPKBZLGSQ-SWLSCSKDSA-N 1 2 247.338 2.842 20 0 BFADLO Cc1[nH]c(CNc2ncccc2Cl)[nH+]c1C ZINC000902083133 584521309 /nfs/dbraw/zinc/52/13/09/584521309.db2.gz OLQUODLRNGNTGB-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO Cc1cc[nH+]cc1NCc1cn(C)nc1C1CC1 ZINC000902064625 584522220 /nfs/dbraw/zinc/52/22/20/584522220.db2.gz BDOVPSCTTKIYAL-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1cc(NCC2(F)CC2)nc(C(C)C)[nH+]1 ZINC000902185358 584533422 /nfs/dbraw/zinc/53/34/22/584533422.db2.gz IKBPXIVBWALBQW-UHFFFAOYSA-N 1 2 223.295 2.822 20 0 BFADLO CCc1ccc(CNc2cc(C)[nH+]cn2)o1 ZINC000902196053 584536940 /nfs/dbraw/zinc/53/69/40/584536940.db2.gz OVLOQDJSUYHUHZ-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccccc2NC)co1 ZINC000902585167 584639326 /nfs/dbraw/zinc/63/93/26/584639326.db2.gz RLUMJSIREAEKAL-UHFFFAOYSA-N 1 2 245.326 2.569 20 0 BFADLO CCn1c[nH+]c(CNc2cc(Cl)ccn2)c1 ZINC000902599841 584640701 /nfs/dbraw/zinc/64/07/01/584640701.db2.gz MNYBRFSACGLOIF-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO c1cc2cc(OC[C@H]3CCCO3)ccc2c[nH+]1 ZINC000902637049 584648984 /nfs/dbraw/zinc/64/89/84/584648984.db2.gz HBSRODUEHAMBSY-CQSZACIVSA-N 1 2 229.279 2.793 20 0 BFADLO OC1(CCOc2ccc3c[nH+]ccc3c2)CCC1 ZINC000902637545 584649382 /nfs/dbraw/zinc/64/93/82/584649382.db2.gz KAZHQXIWFYIQBH-UHFFFAOYSA-N 1 2 243.306 2.919 20 0 BFADLO CC[C@H]1c2ccccc2C[N@H+]1CN1CCCC1=O ZINC000902666456 584653594 /nfs/dbraw/zinc/65/35/94/584653594.db2.gz QALWFRCICICINM-AWEZNQCLSA-N 1 2 244.338 2.533 20 0 BFADLO CC[C@H]1c2ccccc2C[N@@H+]1CN1CCCC1=O ZINC000902666456 584653596 /nfs/dbraw/zinc/65/35/96/584653596.db2.gz QALWFRCICICINM-AWEZNQCLSA-N 1 2 244.338 2.533 20 0 BFADLO Cn1c[nH+]cc1COc1cccc(C(F)F)c1 ZINC000902686455 584656038 /nfs/dbraw/zinc/65/60/38/584656038.db2.gz GZCWSZOKWKBTEU-UHFFFAOYSA-N 1 2 238.237 2.937 20 0 BFADLO Cc1c(Cl)cnn1Cc1cc(C)cc(C)[nH+]1 ZINC000902721654 584660318 /nfs/dbraw/zinc/66/03/18/584660318.db2.gz FOLNLAXPGDUUES-UHFFFAOYSA-N 1 2 235.718 2.905 20 0 BFADLO COCCCCCOc1ccc2c(c1)[nH+]cn2C ZINC000902780539 584669632 /nfs/dbraw/zinc/66/96/32/584669632.db2.gz YTMLVXWJKHTBIZ-UHFFFAOYSA-N 1 2 248.326 2.769 20 0 BFADLO CSCCCOc1ccc2c(c1)[nH+]cn2C ZINC000902779847 584669741 /nfs/dbraw/zinc/66/97/41/584669741.db2.gz HKMXAMOYJNRNMJ-UHFFFAOYSA-N 1 2 236.340 2.705 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902920758 584692172 /nfs/dbraw/zinc/69/21/72/584692172.db2.gz IXOLSOKDGMLIBQ-BTFPBAQTSA-N 1 2 244.338 2.615 20 0 BFADLO CO[C@H]1CCC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000903139520 584730772 /nfs/dbraw/zinc/73/07/72/584730772.db2.gz MFYNKKZTYAULLJ-QWRGUYRKSA-N 1 2 238.356 2.783 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1cncs1 ZINC000903311103 584748038 /nfs/dbraw/zinc/74/80/38/584748038.db2.gz NJCBOZMLLCQWBT-UWVGGRQHSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccco1 ZINC000903329863 584753917 /nfs/dbraw/zinc/75/39/17/584753917.db2.gz FJOQSEJVWXAABA-MFKMUULPSA-N 1 2 243.310 2.872 20 0 BFADLO CC/C=C(\C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272302 584858607 /nfs/dbraw/zinc/85/86/07/584858607.db2.gz OFYYSJRFAAARFM-VMPITWQZSA-N 1 2 244.298 2.836 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc([C@H]2CC2(C)C)n1 ZINC000904269710 584858651 /nfs/dbraw/zinc/85/86/51/584858651.db2.gz QCWBXTSRAZMUGQ-SECBINFHSA-N 1 2 244.298 2.536 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc([C@H]2CC2(C)C)n1 ZINC000904260322 584859440 /nfs/dbraw/zinc/85/94/40/584859440.db2.gz OMYQXTNESRPSJQ-SECBINFHSA-N 1 2 244.298 2.536 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc(CCC(C)C)n1 ZINC000904257130 584859490 /nfs/dbraw/zinc/85/94/90/584859490.db2.gz QADDIFAASCYQRN-UHFFFAOYSA-N 1 2 246.314 2.611 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000754144998 584913981 /nfs/dbraw/zinc/91/39/81/584913981.db2.gz SEYYPHREQHLNCQ-QWRGUYRKSA-N 1 2 232.327 2.583 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000732197505 584934682 /nfs/dbraw/zinc/93/46/82/584934682.db2.gz RJMTWECEMVZTAG-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000732197505 584934683 /nfs/dbraw/zinc/93/46/83/584934683.db2.gz RJMTWECEMVZTAG-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO CC/C=C(/C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733881728 584954078 /nfs/dbraw/zinc/95/40/78/584954078.db2.gz XLCMQQXFQFPVII-WMZJFQQLSA-N 1 2 229.283 2.629 20 0 BFADLO C[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000733896789 584954754 /nfs/dbraw/zinc/95/47/54/584954754.db2.gz XMYDWLDNLDEPRI-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000733896789 584954755 /nfs/dbraw/zinc/95/47/55/584954755.db2.gz XMYDWLDNLDEPRI-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000733896790 584954784 /nfs/dbraw/zinc/95/47/84/584954784.db2.gz XMYDWLDNLDEPRI-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000733896790 584954785 /nfs/dbraw/zinc/95/47/85/584954785.db2.gz XMYDWLDNLDEPRI-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@H](CC(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000733969191 584955818 /nfs/dbraw/zinc/95/58/18/584955818.db2.gz DDCSCGRZJQAHAS-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@H]1C[NH+]=C(NC(=O)C(C)(C)C(C)(C)C)S1 ZINC000819780754 585007412 /nfs/dbraw/zinc/00/74/12/585007412.db2.gz JLALBXYIZHBEFS-QMMMGPOBSA-N 1 2 242.388 2.666 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C)oc1C ZINC000825005974 585029059 /nfs/dbraw/zinc/02/90/59/585029059.db2.gz WPAUHGIDQNIAKB-NSHDSACASA-N 1 2 247.342 2.964 20 0 BFADLO C/C=C\C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000737823306 585038254 /nfs/dbraw/zinc/03/82/54/585038254.db2.gz RUHSBWSCDQMPNP-IHWYPQMZSA-N 1 2 227.267 2.591 20 0 BFADLO CC=CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000737823306 585038255 /nfs/dbraw/zinc/03/82/55/585038255.db2.gz RUHSBWSCDQMPNP-IHWYPQMZSA-N 1 2 227.267 2.591 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CCSC[C@H]2C)o1 ZINC000738340073 585043475 /nfs/dbraw/zinc/04/34/75/585043475.db2.gz KFKZHUFBTBXXCB-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CCSC[C@H]2C)o1 ZINC000738340073 585043476 /nfs/dbraw/zinc/04/34/76/585043476.db2.gz KFKZHUFBTBXXCB-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000738429260 585045872 /nfs/dbraw/zinc/04/58/72/585045872.db2.gz RMJLTYLAQKRYOX-CHWSQXEVSA-N 1 2 249.354 2.640 20 0 BFADLO CCC[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948855 585054303 /nfs/dbraw/zinc/05/43/03/585054303.db2.gz ITOCZMDFBIMAPP-JTQLQIEISA-N 1 2 246.314 2.644 20 0 BFADLO CCC[C@@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738948856 585054363 /nfs/dbraw/zinc/05/43/63/585054363.db2.gz ITOCZMDFBIMAPP-SNVBAGLBSA-N 1 2 246.314 2.644 20 0 BFADLO CC(C)CCCCC(=O)OCc1c[nH+]cn1C ZINC000838810259 585070941 /nfs/dbraw/zinc/07/09/41/585070941.db2.gz RHEMJNORZBSGFY-UHFFFAOYSA-N 1 2 238.331 2.680 20 0 BFADLO Fc1cnccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000838903753 585077120 /nfs/dbraw/zinc/07/71/20/585077120.db2.gz DPILHKCBIIEAKM-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cnccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000838903753 585077121 /nfs/dbraw/zinc/07/71/21/585077121.db2.gz DPILHKCBIIEAKM-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO C/C=C(/CC)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838954198 585080620 /nfs/dbraw/zinc/08/06/20/585080620.db2.gz IUZWTYYDOCNQOG-WZUFQYTHSA-N 1 2 248.326 2.547 20 0 BFADLO Cn1c(Cl)cnc1C[NH+]1CC(C(C)(C)C)C1 ZINC000839145124 585091995 /nfs/dbraw/zinc/09/19/95/585091995.db2.gz LUCCOIZEAKLEMY-UHFFFAOYSA-N 1 2 241.766 2.551 20 0 BFADLO COc1ccc(NCc2[nH]cc[nH+]2)cc1SC ZINC000839151307 585092516 /nfs/dbraw/zinc/09/25/16/585092516.db2.gz WYXQZKMOKKIZRG-UHFFFAOYSA-N 1 2 249.339 2.752 20 0 BFADLO FCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000839171879 585096413 /nfs/dbraw/zinc/09/64/13/585096413.db2.gz LNZLEVGBZNJXAK-UHFFFAOYSA-N 1 2 213.683 2.668 20 0 BFADLO FCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000839171879 585096414 /nfs/dbraw/zinc/09/64/14/585096414.db2.gz LNZLEVGBZNJXAK-UHFFFAOYSA-N 1 2 213.683 2.668 20 0 BFADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c(=S)s1 ZINC000740860934 585107459 /nfs/dbraw/zinc/10/74/59/585107459.db2.gz JQRPTNCFXFSYLK-SFYZADRCSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c(=S)s1 ZINC000740860934 585107460 /nfs/dbraw/zinc/10/74/60/585107460.db2.gz JQRPTNCFXFSYLK-SFYZADRCSA-N 1 2 243.401 2.670 20 0 BFADLO CCC/C=C/C(=O)NCc1[nH+]ccn1CC(C)C ZINC000741711613 585116978 /nfs/dbraw/zinc/11/69/78/585116978.db2.gz WFSQOYRKAXUPIS-VOTSOKGWSA-N 1 2 249.358 2.512 20 0 BFADLO Cc1nccc(Nc2ccc([NH+](C)C)c(C)c2)n1 ZINC000742392969 585125714 /nfs/dbraw/zinc/12/57/14/585125714.db2.gz WEYJVFGRFWVTEW-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CC(=CC(=O)Nc1cc[nH+]cc1C)C(C)(C)C ZINC000742646651 585129368 /nfs/dbraw/zinc/12/93/68/585129368.db2.gz AICPUGPBQFXNHE-FLIBITNWSA-N 1 2 232.327 2.743 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000746457281 585168484 /nfs/dbraw/zinc/16/84/84/585168484.db2.gz NRJSIDFFVIFXJE-OCCSQVGLSA-N 1 2 247.338 2.775 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000746457281 585168485 /nfs/dbraw/zinc/16/84/85/585168485.db2.gz NRJSIDFFVIFXJE-OCCSQVGLSA-N 1 2 247.338 2.775 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000746457280 585168547 /nfs/dbraw/zinc/16/85/47/585168547.db2.gz NRJSIDFFVIFXJE-JSGCOSHPSA-N 1 2 247.338 2.775 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000746457280 585168548 /nfs/dbraw/zinc/16/85/48/585168548.db2.gz NRJSIDFFVIFXJE-JSGCOSHPSA-N 1 2 247.338 2.775 20 0 BFADLO CCCC(C)=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000747112734 585174922 /nfs/dbraw/zinc/17/49/22/585174922.db2.gz QURLAIOJBCVTJR-YFHOEESVSA-N 1 2 232.327 2.805 20 0 BFADLO Cc1cc(NC(=O)C=C2CC[C@H](C)C2)c(C)c[nH+]1 ZINC000747111204 585175188 /nfs/dbraw/zinc/17/51/88/585175188.db2.gz GOOQMHVPXCXCOC-XNFYSYIQSA-N 1 2 244.338 2.805 20 0 BFADLO Cc1cc(NC(=O)C=C2CCCC2)c(C)c[nH+]1 ZINC000747107199 585175224 /nfs/dbraw/zinc/17/52/24/585175224.db2.gz MCVCVDNKZODIDP-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO Cc1cc(NC(=O)C=C2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000747111202 585175234 /nfs/dbraw/zinc/17/52/34/585175234.db2.gz GOOQMHVPXCXCOC-SEEODLKFSA-N 1 2 244.338 2.805 20 0 BFADLO CCC[C@H](C)OC(=O)c1ccc(C)[nH+]c1NC ZINC000748111692 585187331 /nfs/dbraw/zinc/18/73/31/585187331.db2.gz KTLCXPXYLXLQBW-JTQLQIEISA-N 1 2 236.315 2.777 20 0 BFADLO CCCCCC[C@@H](C)C(=O)NCc1c[nH+]c[nH]1 ZINC000748322539 585190673 /nfs/dbraw/zinc/19/06/73/585190673.db2.gz OXSDKZBOBSHDPZ-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCCCCC[C@@H](C)C(=O)NCc1c[nH]c[nH+]1 ZINC000748322539 585190674 /nfs/dbraw/zinc/19/06/74/585190674.db2.gz OXSDKZBOBSHDPZ-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748492965 585193482 /nfs/dbraw/zinc/19/34/82/585193482.db2.gz XDGZKFOSQHXAFG-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO CCCCOC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000749114791 585199812 /nfs/dbraw/zinc/19/98/12/585199812.db2.gz PAGQNISQIFGUBE-AWEZNQCLSA-N 1 2 247.338 2.777 20 0 BFADLO CCCCOC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000749114791 585199813 /nfs/dbraw/zinc/19/98/13/585199813.db2.gz PAGQNISQIFGUBE-AWEZNQCLSA-N 1 2 247.338 2.777 20 0 BFADLO C/C=C(/C)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000750906252 585221674 /nfs/dbraw/zinc/22/16/74/585221674.db2.gz MTTGWDACMOEAEJ-WCIBSUBMSA-N 1 2 244.294 2.652 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1ccc(C)cc1 ZINC000751470576 585231014 /nfs/dbraw/zinc/23/10/14/585231014.db2.gz DPBJXMNTUMYLBL-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO CN(Cc1cc2ccccc2[nH]1)Cc1[nH]cc[nH+]1 ZINC000752355700 585244974 /nfs/dbraw/zinc/24/49/74/585244974.db2.gz WHBZYESXSRPUBO-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO CC[N@H+](CC[C@@H]1CCOC1=O)c1ccc(C)cc1 ZINC000753844658 585270734 /nfs/dbraw/zinc/27/07/34/585270734.db2.gz VGQCTFXFWLKRAQ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@@H]1CCOC1=O)c1ccc(C)cc1 ZINC000753844658 585270735 /nfs/dbraw/zinc/27/07/35/585270735.db2.gz VGQCTFXFWLKRAQ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CCCC[C@H](CC)C(=O)OCc1c[nH+]cn1C ZINC000754688159 585289566 /nfs/dbraw/zinc/28/95/66/585289566.db2.gz WEMKLXYUOIQUOK-NSHDSACASA-N 1 2 238.331 2.680 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H]1CCC[C@H](C)C1 ZINC000756886549 585324762 /nfs/dbraw/zinc/32/47/62/585324762.db2.gz PYSPHCUXSQLJET-TUAOUCFPSA-N 1 2 242.363 2.736 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000757383656 585334384 /nfs/dbraw/zinc/33/43/84/585334384.db2.gz WQYJZPDPVBEUKL-CMPLNLGQSA-N 1 2 245.326 2.758 20 0 BFADLO CC(C)c1nc(N[C@H](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000759700883 585378805 /nfs/dbraw/zinc/37/88/05/585378805.db2.gz ZSIWKLWBHBXAGN-NEPJUHHUSA-N 1 2 249.358 2.827 20 0 BFADLO CC[N@H+](CCC1CC1)Cn1ncsc1=S ZINC000760536092 585393783 /nfs/dbraw/zinc/39/37/83/585393783.db2.gz AYNXHWWFSUFIBL-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO CC[N@@H+](CCC1CC1)Cn1ncsc1=S ZINC000760536092 585393784 /nfs/dbraw/zinc/39/37/84/585393784.db2.gz AYNXHWWFSUFIBL-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)oc1C ZINC000761045062 585403913 /nfs/dbraw/zinc/40/39/13/585403913.db2.gz OBXJHNWTKSFCJC-VIFPVBQESA-N 1 2 248.248 2.676 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C(F)(F)F)C2)oc1C ZINC000761045062 585403914 /nfs/dbraw/zinc/40/39/14/585403914.db2.gz OBXJHNWTKSFCJC-VIFPVBQESA-N 1 2 248.248 2.676 20 0 BFADLO Clc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc(Cl)n1 ZINC000761101444 585409565 /nfs/dbraw/zinc/40/95/65/585409565.db2.gz XLMDMIOTHGVIHP-BDAKNGLRSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc(Cl)n1 ZINC000761101444 585409566 /nfs/dbraw/zinc/40/95/66/585409566.db2.gz XLMDMIOTHGVIHP-BDAKNGLRSA-N 1 2 243.137 2.983 20 0 BFADLO Cc1[nH+]c(-c2nc(C(C)C)no2)c2ccccn12 ZINC000761342075 585414291 /nfs/dbraw/zinc/41/42/91/585414291.db2.gz RDRCAKHHTOENIB-UHFFFAOYSA-N 1 2 242.282 2.816 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)OCc1c[nH+]cn1C ZINC000762070580 585425623 /nfs/dbraw/zinc/42/56/23/585425623.db2.gz BCTLSUQLDYYPHG-SNVBAGLBSA-N 1 2 238.331 2.536 20 0 BFADLO CC(C)CCCO[NH+]=C(N)COC(C)(C)C ZINC000762217167 585429281 /nfs/dbraw/zinc/42/92/81/585429281.db2.gz ZSIUQQCYSHMVRP-UHFFFAOYSA-N 1 2 230.352 2.736 20 0 BFADLO COc1ccc[nH+]c1NCc1ccc(Cl)nc1 ZINC000763508578 585449299 /nfs/dbraw/zinc/44/92/99/585449299.db2.gz ZHDZOGMPGAIVLE-UHFFFAOYSA-N 1 2 249.701 2.751 20 0 BFADLO CC[C@@H](C)CO[NH+]=C(N)c1ccccc1C ZINC000764526525 585467354 /nfs/dbraw/zinc/46/73/54/585467354.db2.gz APLMWKKLSIKOSK-SNVBAGLBSA-N 1 2 220.316 2.888 20 0 BFADLO CC[C@@H](C)CO[NH+]=C(N)Cc1cccs1 ZINC000764550981 585467847 /nfs/dbraw/zinc/46/78/47/585467847.db2.gz AYKWUTOQRJSYNO-SECBINFHSA-N 1 2 226.345 2.835 20 0 BFADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC1 ZINC000766407376 585501835 /nfs/dbraw/zinc/50/18/35/585501835.db2.gz KVDRKPFCGFWTAQ-UHFFFAOYSA-N 1 2 245.330 2.546 20 0 BFADLO CC[N@H+](C[C@@H](C)CO)c1ccc(C)cc1C ZINC000766915069 585511597 /nfs/dbraw/zinc/51/15/97/585511597.db2.gz YXPOQFACHNVIQI-GFCCVEGCSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@@H](C)CO)c1ccc(C)cc1C ZINC000766915069 585511598 /nfs/dbraw/zinc/51/15/98/585511598.db2.gz YXPOQFACHNVIQI-GFCCVEGCSA-N 1 2 221.344 2.758 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@H](C)C(C)(C)C ZINC000767909216 585528105 /nfs/dbraw/zinc/52/81/05/585528105.db2.gz FTNAAMKJOSZFNF-NSHDSACASA-N 1 2 249.358 2.616 20 0 BFADLO COC1CC(Nc2ccc([NH+](C)C)c(C)c2)C1 ZINC000769477825 585558141 /nfs/dbraw/zinc/55/81/41/585558141.db2.gz ZFEPEOJVNMWJLH-UHFFFAOYSA-N 1 2 234.343 2.650 20 0 BFADLO COC1CC([NH2+]c2ccc(N(C)C)c(C)c2)C1 ZINC000769477825 585558142 /nfs/dbraw/zinc/55/81/42/585558142.db2.gz ZFEPEOJVNMWJLH-UHFFFAOYSA-N 1 2 234.343 2.650 20 0 BFADLO CCC[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924172 585584321 /nfs/dbraw/zinc/58/43/21/585584321.db2.gz CTXJWKOMZXQWNW-NSHDSACASA-N 1 2 246.310 2.814 20 0 BFADLO CCC/C(C)=C/C(=O)OCc1c[nH+]ccc1OC ZINC000805425952 585591961 /nfs/dbraw/zinc/59/19/61/585591961.db2.gz KNJVJPRIRYGKOB-DHZHZOJOSA-N 1 2 249.310 2.880 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)OC1CCCC1 ZINC000771911668 585604254 /nfs/dbraw/zinc/60/42/54/585604254.db2.gz PMOOULDMYXVRHG-UHFFFAOYSA-N 1 2 234.299 2.531 20 0 BFADLO Cc1ccc(COC(=O)[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000772182806 585609420 /nfs/dbraw/zinc/60/94/20/585609420.db2.gz WASWUZDVFNPZKT-UONOGXRCSA-N 1 2 245.322 2.788 20 0 BFADLO Cc1ccc(COC(=O)[C@H](C)C2CC2)c(C)[nH+]1 ZINC000772171054 585609560 /nfs/dbraw/zinc/60/95/60/585609560.db2.gz WIJZXNIIRGAWHU-SNVBAGLBSA-N 1 2 233.311 2.788 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cn1 ZINC000773085207 585630927 /nfs/dbraw/zinc/63/09/27/585630927.db2.gz GXFVOGNKCNLJFO-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000775449907 585677991 /nfs/dbraw/zinc/67/79/91/585677991.db2.gz RHHUIBYSFJKJCH-CYBMUJFWSA-N 1 2 231.299 2.557 20 0 BFADLO COc1ccc(C[NH+]2Cc3ccccc3C2)nc1 ZINC000775972113 585688477 /nfs/dbraw/zinc/68/84/77/585688477.db2.gz MWDAJNHDPBQNLE-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC=C(F)C1 ZINC000778962019 585742942 /nfs/dbraw/zinc/74/29/42/585742942.db2.gz XXJDWJOXMJSHJF-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1ccccc1[C@@H](O)C[N@H+]1CCC=C(F)C1 ZINC000778962019 585742943 /nfs/dbraw/zinc/74/29/43/585742943.db2.gz XXJDWJOXMJSHJF-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO C[C@H](CCO)[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000779422076 585754688 /nfs/dbraw/zinc/75/46/88/585754688.db2.gz LEMAWCDGCHWWMU-SNVBAGLBSA-N 1 2 235.327 2.583 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1cc[nH+]cc1CC ZINC000779942822 585770487 /nfs/dbraw/zinc/77/04/87/585770487.db2.gz JFOZRBBNYCRLNA-ZHACJKMWSA-N 1 2 232.327 2.751 20 0 BFADLO CC/C(C)=C(\C)C(=O)NCCCCn1cc[nH+]c1 ZINC000780939016 585786814 /nfs/dbraw/zinc/78/68/14/585786814.db2.gz GSNJVJWESYOSCX-OUKQBFOZSA-N 1 2 249.358 2.526 20 0 BFADLO O=C(CC1=CCCCC1)OCCCn1cc[nH+]c1 ZINC000783528958 585836211 /nfs/dbraw/zinc/83/62/11/585836211.db2.gz LWHGMFHZHYLLHI-UHFFFAOYSA-N 1 2 248.326 2.707 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+]CC[C@@H]1CCOC1 ZINC000783574733 585837202 /nfs/dbraw/zinc/83/72/02/585837202.db2.gz AOPNVNSRQSABQU-CYBMUJFWSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC[C@@H]1CCOC1 ZINC000783574733 585837203 /nfs/dbraw/zinc/83/72/03/585837203.db2.gz AOPNVNSRQSABQU-CYBMUJFWSA-N 1 2 248.370 2.900 20 0 BFADLO COc1cc[nH+]cc1NCc1ccc(F)nc1C ZINC000784284910 585854593 /nfs/dbraw/zinc/85/45/93/585854593.db2.gz XDQIUNAROCBOOB-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CO[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]1C ZINC000784363439 585857242 /nfs/dbraw/zinc/85/72/42/585857242.db2.gz CFGHZXZJAIZUSW-FBACALJWSA-N 1 2 238.158 2.662 20 0 BFADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]1C ZINC000784363439 585857243 /nfs/dbraw/zinc/85/72/43/585857243.db2.gz CFGHZXZJAIZUSW-FBACALJWSA-N 1 2 238.158 2.662 20 0 BFADLO C[C@@H]([NH2+]c1ccc(OCCO)cc1)[C@@H]1CC1(C)C ZINC000785492332 585874457 /nfs/dbraw/zinc/87/44/57/585874457.db2.gz FADRKVZNWRBLOT-RISCZKNCSA-N 1 2 249.354 2.904 20 0 BFADLO Cc1ccc([N@@H+](C)CCC[C@@H](C)O)cc1C ZINC000789311140 585939419 /nfs/dbraw/zinc/93/94/19/585939419.db2.gz YSZZXPQHHVNQNP-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc([N@H+](C)CCC[C@@H](C)O)cc1C ZINC000789311140 585939420 /nfs/dbraw/zinc/93/94/20/585939420.db2.gz YSZZXPQHHVNQNP-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)c2nc(C)no2)c(C)o1 ZINC000790622063 585966952 /nfs/dbraw/zinc/96/69/52/585966952.db2.gz IFUBHQPMFGRROO-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Nc1cc(COC(=O)CC2=CCCCC2)cc[nH+]1 ZINC000791866654 585989785 /nfs/dbraw/zinc/98/97/85/585989785.db2.gz WWUSECHQFVEBBZ-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C/C(=C/C(=O)OCc1cc[nH+]c(N)c1)C(C)(C)C ZINC000791966702 585992462 /nfs/dbraw/zinc/99/24/62/585992462.db2.gz SQCMOMUIHNSORU-YFHOEESVSA-N 1 2 248.326 2.699 20 0 BFADLO CCC(C)(CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792134652 585996462 /nfs/dbraw/zinc/99/64/62/585996462.db2.gz XNLGMNANJBBOOM-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO Clc1cnn(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000793632318 586024444 /nfs/dbraw/zinc/02/44/44/586024444.db2.gz UXUMBJNNFIBTIT-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO Cc1nc(C[NH+]2CCC(F)(F)CC2)oc1C ZINC000796536504 586106174 /nfs/dbraw/zinc/10/61/74/586106174.db2.gz COAXGFGLILBQGN-UHFFFAOYSA-N 1 2 230.258 2.523 20 0 BFADLO CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000796918346 586116944 /nfs/dbraw/zinc/11/69/44/586116944.db2.gz KYBQWIYVNLWXTR-HUUCEWRRSA-N 1 2 249.354 2.904 20 0 BFADLO CC(C)C[C@@H](C)CO[NH+]=C(N)COC(C)(C)C ZINC000799176155 586164925 /nfs/dbraw/zinc/16/49/25/586164925.db2.gz GHTKRISPTKWTFD-LLVKDONJSA-N 1 2 244.379 2.982 20 0 BFADLO CC[C@H](C)c1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757564214 586254094 /nfs/dbraw/zinc/25/40/94/586254094.db2.gz CKPOSRYSUOGKPX-QMMMGPOBSA-N 1 2 218.304 2.537 20 0 BFADLO CC[C@H](C)CCC(=O)OCCCn1cc[nH+]c1 ZINC000803880116 586379570 /nfs/dbraw/zinc/37/95/70/586379570.db2.gz HBPGIDUFMPTHEQ-LBPRGKRZSA-N 1 2 238.331 2.643 20 0 BFADLO CCCn1cc(Nc2cc(C)[nH+]c(CC)n2)cn1 ZINC000804511657 586398058 /nfs/dbraw/zinc/39/80/58/586398058.db2.gz XCARGDZVBKBOKK-UHFFFAOYSA-N 1 2 245.330 2.698 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000806157366 586406372 /nfs/dbraw/zinc/40/63/72/586406372.db2.gz QTYULORSKGGEEZ-SMDDNHRTSA-N 1 2 235.327 2.658 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)n(C)n1 ZINC000806181264 586407580 /nfs/dbraw/zinc/40/75/80/586407580.db2.gz WBYPREZAGYEADX-KOLCDFICSA-N 1 2 243.301 2.567 20 0 BFADLO CC(C)=CCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000808252868 586468859 /nfs/dbraw/zinc/46/88/59/586468859.db2.gz IOMUVXFPCCNTRR-UHFFFAOYSA-N 1 2 236.290 2.947 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(OCCCO)cc1 ZINC000809714281 586514451 /nfs/dbraw/zinc/51/44/51/586514451.db2.gz DEWSRPSGHHEJIT-NWDGAFQWSA-N 1 2 235.327 2.516 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2nonc2C)cc1 ZINC000809744380 586516286 /nfs/dbraw/zinc/51/62/86/586516286.db2.gz ITYPPQSZEPJJFI-UHFFFAOYSA-N 1 2 245.326 2.620 20 0 BFADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000809967416 586527527 /nfs/dbraw/zinc/52/75/27/586527527.db2.gz AHWFAKBTAXFZQE-KOLCDFICSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)no1 ZINC000809967416 586527528 /nfs/dbraw/zinc/52/75/28/586527528.db2.gz AHWFAKBTAXFZQE-KOLCDFICSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@H]3C[C@H]32)no1 ZINC000809967415 586527762 /nfs/dbraw/zinc/52/77/62/586527762.db2.gz AHWFAKBTAXFZQE-GXSJLCMTSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1cc(C[N@H+]2CC[C@H]3C[C@H]32)no1 ZINC000809967415 586527763 /nfs/dbraw/zinc/52/77/63/586527763.db2.gz AHWFAKBTAXFZQE-GXSJLCMTSA-N 1 2 220.316 2.566 20 0 BFADLO COc1nc2ccccc2cc1C[N@H+](C)CCF ZINC000816640114 586746810 /nfs/dbraw/zinc/74/68/10/586746810.db2.gz UYPBQYOKDQQFIB-UHFFFAOYSA-N 1 2 248.301 2.645 20 0 BFADLO COc1nc2ccccc2cc1C[N@@H+](C)CCF ZINC000816640114 586746813 /nfs/dbraw/zinc/74/68/13/586746813.db2.gz UYPBQYOKDQQFIB-UHFFFAOYSA-N 1 2 248.301 2.645 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000816648207 586749983 /nfs/dbraw/zinc/74/99/83/586749983.db2.gz GRWADQQZXXZJMV-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000816648207 586749985 /nfs/dbraw/zinc/74/99/85/586749985.db2.gz GRWADQQZXXZJMV-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO Cc1cc(CNc2cncc(Cl)n2)cc(C)[nH+]1 ZINC000817122974 586783058 /nfs/dbraw/zinc/78/30/58/586783058.db2.gz ACOWVUNKYXTEMG-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1cccc([C@H]([NH2+][C@H]2CCOC2=O)C(C)C)c1 ZINC000859850544 589066811 /nfs/dbraw/zinc/06/68/11/589066811.db2.gz PNHYAPXVAYZLEF-UONOGXRCSA-N 1 2 247.338 2.597 20 0 BFADLO C/C(=C\C(=O)Nc1ccc(N)[nH+]c1)C(C)(C)C ZINC000818541248 586899177 /nfs/dbraw/zinc/89/91/77/586899177.db2.gz SCOFYCAOMNECCZ-VQHVLOKHSA-N 1 2 233.315 2.595 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccns1 ZINC000860058416 589078086 /nfs/dbraw/zinc/07/80/86/589078086.db2.gz CWLZVWMWYAVYPC-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO CCCC[C@H](CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819763384 586991167 /nfs/dbraw/zinc/99/11/67/586991167.db2.gz BNSTXOWZLZBTBX-UWVGGRQHSA-N 1 2 242.388 2.810 20 0 BFADLO CCCC(CCC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819776084 586992431 /nfs/dbraw/zinc/99/24/31/586992431.db2.gz KLGCHTXRXKDRIQ-SECBINFHSA-N 1 2 242.388 2.810 20 0 BFADLO CCCC(C)(C)CC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782701 586994823 /nfs/dbraw/zinc/99/48/23/586994823.db2.gz PTYLPEIJSPRGGF-SECBINFHSA-N 1 2 242.388 2.810 20 0 BFADLO CCCC(=O)OCc1ccc[nH+]c1N1CCCC1 ZINC000821609125 587132524 /nfs/dbraw/zinc/13/25/24/587132524.db2.gz KDTLYQKGLXRWGE-UHFFFAOYSA-N 1 2 248.326 2.525 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000822008815 587149178 /nfs/dbraw/zinc/14/91/78/587149178.db2.gz WRBWSLRCQSHLRH-QWRGUYRKSA-N 1 2 237.347 2.803 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@]2(C)C=CCC2)c[nH+]1 ZINC000822017644 587149638 /nfs/dbraw/zinc/14/96/38/587149638.db2.gz QAADTJWHSITLJC-HNNXBMFYSA-N 1 2 244.338 2.671 20 0 BFADLO C[N@H+](CC[C@H]1CC1(Cl)Cl)CC(F)F ZINC000822606031 587177630 /nfs/dbraw/zinc/17/76/30/587177630.db2.gz HSAILUUVYVGVOL-LURJTMIESA-N 1 2 232.101 2.767 20 0 BFADLO C[N@@H+](CC[C@H]1CC1(Cl)Cl)CC(F)F ZINC000822606031 587177631 /nfs/dbraw/zinc/17/76/31/587177631.db2.gz HSAILUUVYVGVOL-LURJTMIESA-N 1 2 232.101 2.767 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NOCC1CCC1 ZINC000823305128 587215300 /nfs/dbraw/zinc/21/53/00/587215300.db2.gz ILCSZHUONOPWGB-UHFFFAOYSA-N 1 2 249.314 2.552 20 0 BFADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC000824263439 587263814 /nfs/dbraw/zinc/26/38/14/587263814.db2.gz BAAUJFJHIBXMRF-UHFFFAOYSA-N 1 2 245.326 2.824 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)F)C2)cs1 ZINC000824344204 587266899 /nfs/dbraw/zinc/26/68/99/587266899.db2.gz FUNJVLSTXSRIIU-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)C2)cs1 ZINC000824344204 587266900 /nfs/dbraw/zinc/26/69/00/587266900.db2.gz FUNJVLSTXSRIIU-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO Cc1cc(C[NH+]2CC3(CC3)C2)cnc1Cl ZINC000824533994 587274357 /nfs/dbraw/zinc/27/43/57/587274357.db2.gz WIIPIXZYUFVQQO-UHFFFAOYSA-N 1 2 222.719 2.639 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2cnccc21 ZINC000824555451 587276054 /nfs/dbraw/zinc/27/60/54/587276054.db2.gz UQNZLDRMBSLSDT-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO CCc1nc(C[NH2+]Cc2cc(C)oc2C)co1 ZINC000825058172 587301115 /nfs/dbraw/zinc/30/11/15/587301115.db2.gz UCAWMZFANVJMFO-UHFFFAOYSA-N 1 2 234.299 2.737 20 0 BFADLO Cc1cc(NC[C@@]2(C)CC2(Cl)Cl)nc[nH+]1 ZINC000828798634 587462880 /nfs/dbraw/zinc/46/28/80/587462880.db2.gz OLRDOAXFMUPWAT-SECBINFHSA-N 1 2 246.141 2.781 20 0 BFADLO CCc1nc(CNc2cc[nH+]c(C(C)C)n2)co1 ZINC000829184230 587486876 /nfs/dbraw/zinc/48/68/76/587486876.db2.gz XZUBANJCOVMNHS-UHFFFAOYSA-N 1 2 246.314 2.763 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)OCCn2cc[nH+]c2)CC1 ZINC000829810675 587518556 /nfs/dbraw/zinc/51/85/56/587518556.db2.gz TUSUPLGLVLQIMZ-ZDUSSCGKSA-N 1 2 248.326 2.563 20 0 BFADLO CCC(F)(F)C(=O)Nc1ccc(C)[nH+]c1C ZINC000829946666 587529687 /nfs/dbraw/zinc/52/96/87/587529687.db2.gz CDRSJZDYRXBMLL-UHFFFAOYSA-N 1 2 228.242 2.682 20 0 BFADLO Cc1ccc(C[N@H+](C)C/C=C/Cl)nc1 ZINC000831048175 587583746 /nfs/dbraw/zinc/58/37/46/587583746.db2.gz JDDOQGZCVLLNJP-ZZXKWVIFSA-N 1 2 210.708 2.574 20 0 BFADLO Cc1ccc(C[N@@H+](C)C/C=C/Cl)nc1 ZINC000831048175 587583748 /nfs/dbraw/zinc/58/37/48/587583748.db2.gz JDDOQGZCVLLNJP-ZZXKWVIFSA-N 1 2 210.708 2.574 20 0 BFADLO CCc1ccc([N@H+](CCCO)CC2CC2)cc1 ZINC000831577614 587620115 /nfs/dbraw/zinc/62/01/15/587620115.db2.gz SPTSBHXBGBDMPK-UHFFFAOYSA-N 1 2 233.355 2.848 20 0 BFADLO CCc1ccc([N@@H+](CCCO)CC2CC2)cc1 ZINC000831577614 587620116 /nfs/dbraw/zinc/62/01/16/587620116.db2.gz SPTSBHXBGBDMPK-UHFFFAOYSA-N 1 2 233.355 2.848 20 0 BFADLO CC[C@@H](CC(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000833292862 587705179 /nfs/dbraw/zinc/70/51/79/587705179.db2.gz NYXLEMXWTACKHH-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)o1 ZINC000834836424 587768617 /nfs/dbraw/zinc/76/86/17/587768617.db2.gz NIJWVDKOKOQYMU-PWSUYJOCSA-N 1 2 245.326 2.834 20 0 BFADLO c1cnc(Nc2ccc([NH+]3CCCC3)cc2)cn1 ZINC000835057089 587779627 /nfs/dbraw/zinc/77/96/27/587779627.db2.gz LLFVTMUYNUNYDI-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO CCC/C(C)=C\C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953642 587843712 /nfs/dbraw/zinc/84/37/12/587843712.db2.gz GKVXBRJTMNMYNN-NVSPSJGQSA-N 1 2 247.342 2.752 20 0 BFADLO CCC(=CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)CC ZINC000836954686 587843844 /nfs/dbraw/zinc/84/38/44/587843844.db2.gz MWDYQQNKMUCWAA-CMPLNLGQSA-N 1 2 247.342 2.752 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OC[C@H](C)C1CCCCC1 ZINC000842036922 587991986 /nfs/dbraw/zinc/99/19/86/587991986.db2.gz RHPCAQFAWGKPGC-WDEREUQCSA-N 1 2 242.363 2.736 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OC[C@@H](C)C1CCCCC1 ZINC000842036916 587992136 /nfs/dbraw/zinc/99/21/36/587992136.db2.gz RHPCAQFAWGKPGC-GHMZBOCLSA-N 1 2 242.363 2.736 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@H](C)C2)ccc1[NH+](C)C ZINC000842691023 588052759 /nfs/dbraw/zinc/05/27/59/588052759.db2.gz JYPDMLRHWAMQIE-YPMHNXCESA-N 1 2 234.343 2.650 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@H+]3C)CO1 ZINC000842691522 588052785 /nfs/dbraw/zinc/05/27/85/588052785.db2.gz ZUSFOGNTCZLXOL-RISCZKNCSA-N 1 2 246.354 2.658 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC[N@@H+]3C)CO1 ZINC000842691522 588052787 /nfs/dbraw/zinc/05/27/87/588052787.db2.gz ZUSFOGNTCZLXOL-RISCZKNCSA-N 1 2 246.354 2.658 20 0 BFADLO Cc1cc(N[C@H]2CO[C@@H](C)C2)ccc1[NH+](C)C ZINC000842691022 588053167 /nfs/dbraw/zinc/05/31/67/588053167.db2.gz JYPDMLRHWAMQIE-WCQYABFASA-N 1 2 234.343 2.650 20 0 BFADLO CC[NH2+]Cc1noc(C(C)(C)CC(C)C)n1 ZINC000843144643 588086061 /nfs/dbraw/zinc/08/60/61/588086061.db2.gz FSFQYCHCOMEZDV-UHFFFAOYSA-N 1 2 225.336 2.503 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(\C)C(C)(C)C)n1 ZINC000843144642 588086197 /nfs/dbraw/zinc/08/61/97/588086197.db2.gz FROYKAFAJZYDMU-VQHVLOKHSA-N 1 2 223.320 2.629 20 0 BFADLO CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000844270726 588178503 /nfs/dbraw/zinc/17/85/03/588178503.db2.gz CUIQQSYIKJQFQW-GFCCVEGCSA-N 1 2 237.347 2.531 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CCC12CCCC2 ZINC000844357865 588187488 /nfs/dbraw/zinc/18/74/88/588187488.db2.gz GESVPAKBPSPGOD-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CCC12CCCC2 ZINC000844357865 588187489 /nfs/dbraw/zinc/18/74/89/588187489.db2.gz GESVPAKBPSPGOD-UHFFFAOYSA-N 1 2 225.229 2.905 20 0 BFADLO Fc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC000844454101 588195981 /nfs/dbraw/zinc/19/59/81/588195981.db2.gz XLPCJTYYTQHZMW-AOOOYVTPSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(F)c1 ZINC000844454101 588195984 /nfs/dbraw/zinc/19/59/84/588195984.db2.gz XLPCJTYYTQHZMW-AOOOYVTPSA-N 1 2 245.219 2.662 20 0 BFADLO CC/C=C\CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283275 588225158 /nfs/dbraw/zinc/22/51/58/588225158.db2.gz BIYMPQOJTZBLPD-QMAVJUDZSA-N 1 2 236.315 2.734 20 0 BFADLO CCCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280952 588225417 /nfs/dbraw/zinc/22/54/17/588225417.db2.gz LLJJHPNHTJEYNH-LBPRGKRZSA-N 1 2 238.331 2.958 20 0 BFADLO CC/C=C\CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283276 588225608 /nfs/dbraw/zinc/22/56/08/588225608.db2.gz BIYMPQOJTZBLPD-RXNFCKPNSA-N 1 2 236.315 2.734 20 0 BFADLO CCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283366 588225635 /nfs/dbraw/zinc/22/56/35/588225635.db2.gz VWDGSIZIZGLPAE-QWRGUYRKSA-N 1 2 224.304 2.566 20 0 BFADLO C[C@H](CC(=O)O[C@H](C)c1ccco1)n1cc[nH+]c1 ZINC000845500353 588231128 /nfs/dbraw/zinc/23/11/28/588231128.db2.gz XTKVMQJQRCOZJQ-GHMZBOCLSA-N 1 2 248.282 2.732 20 0 BFADLO C[C@@H](CC(=O)OCCC1CCC1)n1cc[nH+]c1 ZINC000845510448 588231372 /nfs/dbraw/zinc/23/13/72/588231372.db2.gz CQIHFEZSLLIWKA-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO CCC1(COC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000845579342 588233840 /nfs/dbraw/zinc/23/38/40/588233840.db2.gz UGQLNVYAVWRZDE-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO C[C@H](CC(=O)O[C@@H]1CCC1(C)C)n1cc[nH+]c1 ZINC000845609775 588235905 /nfs/dbraw/zinc/23/59/05/588235905.db2.gz WQKJZKFZXGRPQM-GHMZBOCLSA-N 1 2 236.315 2.566 20 0 BFADLO CC[C@@H](OC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC000845853047 588247869 /nfs/dbraw/zinc/24/78/69/588247869.db2.gz XIRDTIOASQOZMN-VXGBXAGGSA-N 1 2 238.331 2.812 20 0 BFADLO CCc1cc[nH+]cc1NC[C@H]1CCC=CO1 ZINC000846072508 588255596 /nfs/dbraw/zinc/25/55/96/588255596.db2.gz WLAVPLCDWLOBGI-GFCCVEGCSA-N 1 2 218.300 2.749 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000846116663 588257818 /nfs/dbraw/zinc/25/78/18/588257818.db2.gz FBMBDLFHZKFIAH-STQMWFEESA-N 1 2 232.327 2.829 20 0 BFADLO Cc1nc(CNc2cc[nH+]c(C(C)C)n2)cs1 ZINC000106464777 588283245 /nfs/dbraw/zinc/28/32/45/588283245.db2.gz VMELLOXONWJQML-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC[C@H]3CCOC3)ccc2O1 ZINC000846749587 588284744 /nfs/dbraw/zinc/28/47/44/588284744.db2.gz GLIGVVHBVGPULQ-RYUDHWBXSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC[C@@H]3CCOC3)ccc2O1 ZINC000846749588 588284746 /nfs/dbraw/zinc/28/47/46/588284746.db2.gz GLIGVVHBVGPULQ-VXGBXAGGSA-N 1 2 247.338 2.849 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846807861 588290026 /nfs/dbraw/zinc/29/00/26/588290026.db2.gz INVMUWRYJBJJHC-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846807861 588290027 /nfs/dbraw/zinc/29/00/27/588290027.db2.gz INVMUWRYJBJJHC-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CC1(C)C[NH+](Cc2cnsn2)CC(C)(C)C1 ZINC000846858953 588293707 /nfs/dbraw/zinc/29/37/07/588293707.db2.gz XGHQDKPAFCKQAU-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO C[N@H+](Cc1cnsn1)[C@@H]1CCC(C)(C)C1 ZINC000846884073 588295303 /nfs/dbraw/zinc/29/53/03/588295303.db2.gz PNINTGJYFXDIAY-SNVBAGLBSA-N 1 2 225.361 2.549 20 0 BFADLO C[N@@H+](Cc1cnsn1)[C@@H]1CCC(C)(C)C1 ZINC000846884073 588295304 /nfs/dbraw/zinc/29/53/04/588295304.db2.gz PNINTGJYFXDIAY-SNVBAGLBSA-N 1 2 225.361 2.549 20 0 BFADLO COc1c(C)cccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000848560322 588397489 /nfs/dbraw/zinc/39/74/89/588397489.db2.gz LGVKWSAYTYKGSA-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C(C)C ZINC000848907349 588419325 /nfs/dbraw/zinc/41/93/25/588419325.db2.gz CDYYKNJPRHWJDH-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C(C)C ZINC000848907349 588419328 /nfs/dbraw/zinc/41/93/28/588419328.db2.gz CDYYKNJPRHWJDH-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO C[C@H]([NH2+][C@@H]1CC[C@H]1C)C(=O)OCc1ccccc1 ZINC000848922947 588420585 /nfs/dbraw/zinc/42/05/85/588420585.db2.gz ZXDXPHJUISYOER-MBNYWOFBSA-N 1 2 247.338 2.506 20 0 BFADLO C[C@@H]([NH2+]CC1(C)CC1)C(=O)OCc1ccccc1 ZINC000848921095 588420953 /nfs/dbraw/zinc/42/09/53/588420953.db2.gz LGAHEZJJMMTFLZ-GFCCVEGCSA-N 1 2 247.338 2.508 20 0 BFADLO CCOc1ccc([NH2+]CC[C@H](C)O)c(C)c1 ZINC000849313907 588471569 /nfs/dbraw/zinc/47/15/69/588471569.db2.gz RLIRRBVSUMWQRS-NSHDSACASA-N 1 2 223.316 2.577 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C(C)C)ccn12 ZINC000849820701 588503044 /nfs/dbraw/zinc/50/30/44/588503044.db2.gz HPVRMNSIPMCPFI-LLVKDONJSA-N 1 2 246.310 2.844 20 0 BFADLO CC(C)=CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000849817721 588503255 /nfs/dbraw/zinc/50/32/55/588503255.db2.gz DRADTLZSMDVVPB-GFCCVEGCSA-N 1 2 236.315 2.734 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@H]1CCC1(C)C ZINC000850070600 588517814 /nfs/dbraw/zinc/51/78/14/588517814.db2.gz VCIJKTKIFIKURP-LLVKDONJSA-N 1 2 249.310 2.570 20 0 BFADLO CCOc1ccc(C[NH2+]C(CF)CF)c(C)c1 ZINC000850313267 588535924 /nfs/dbraw/zinc/53/59/24/588535924.db2.gz UZSFKKVVNMIGFK-UHFFFAOYSA-N 1 2 243.297 2.791 20 0 BFADLO c1[nH+]cc(NC[C@H]2CCCOC2)c2c1CCCC2 ZINC000850343207 588537154 /nfs/dbraw/zinc/53/71/54/588537154.db2.gz QXBAPHQAJUPVCQ-GFCCVEGCSA-N 1 2 246.354 2.799 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(F)nc1 ZINC000850409582 588544127 /nfs/dbraw/zinc/54/41/27/588544127.db2.gz BVHYSTYFZZKONK-UHFFFAOYSA-N 1 2 246.276 2.992 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCCC23CC3)cc1CO ZINC000850457290 588548052 /nfs/dbraw/zinc/54/80/52/588548052.db2.gz GVUVHIOLESLSOK-CQSZACIVSA-N 1 2 247.338 2.932 20 0 BFADLO CCCC[C@@](C)(F)C(=O)Nc1ccc(N)[nH+]c1 ZINC000851631858 588612141 /nfs/dbraw/zinc/61/21/41/588612141.db2.gz YFFPLPDFQDTJJO-GFCCVEGCSA-N 1 2 239.294 2.521 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnon2)cc1 ZINC000851713880 588615732 /nfs/dbraw/zinc/61/57/32/588615732.db2.gz CGPFBEVVAHOYTJ-ZDUSSCGKSA-N 1 2 247.273 2.546 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnon2)cc1 ZINC000851713880 588615733 /nfs/dbraw/zinc/61/57/33/588615733.db2.gz CGPFBEVVAHOYTJ-ZDUSSCGKSA-N 1 2 247.273 2.546 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cnon1 ZINC000851733685 588620051 /nfs/dbraw/zinc/62/00/51/588620051.db2.gz DIKFZQCEXQWKGA-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnon1 ZINC000851733685 588620052 /nfs/dbraw/zinc/62/00/52/588620052.db2.gz DIKFZQCEXQWKGA-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC[N@H+](Cc1cnon1)[C@H](C)c1ccc(F)cc1 ZINC000851735149 588620229 /nfs/dbraw/zinc/62/02/29/588620229.db2.gz COISLAOJEARJHC-SNVBAGLBSA-N 1 2 249.289 2.792 20 0 BFADLO CC[N@@H+](Cc1cnon1)[C@H](C)c1ccc(F)cc1 ZINC000851735149 588620230 /nfs/dbraw/zinc/62/02/30/588620230.db2.gz COISLAOJEARJHC-SNVBAGLBSA-N 1 2 249.289 2.792 20 0 BFADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cnon2)c(C)c1 ZINC000851734440 588620604 /nfs/dbraw/zinc/62/06/04/588620604.db2.gz RTMLSIQHDBXZLF-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnon2)c(C)c1 ZINC000851734440 588620605 /nfs/dbraw/zinc/62/06/05/588620605.db2.gz RTMLSIQHDBXZLF-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3ccsc3C2)n1 ZINC000851878345 588638833 /nfs/dbraw/zinc/63/88/33/588638833.db2.gz BJXTWJOHOGZEAJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3ccsc3C2)n1 ZINC000851878345 588638834 /nfs/dbraw/zinc/63/88/34/588638834.db2.gz BJXTWJOHOGZEAJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO O=C1CC[N@H+](Cc2ccsc2)C2(CCC2)C1 ZINC000852181399 588670024 /nfs/dbraw/zinc/67/00/24/588670024.db2.gz IGXYGEGRQZJRQD-UHFFFAOYSA-N 1 2 235.352 2.836 20 0 BFADLO O=C1CC[N@@H+](Cc2ccsc2)C2(CCC2)C1 ZINC000852181399 588670025 /nfs/dbraw/zinc/67/00/25/588670025.db2.gz IGXYGEGRQZJRQD-UHFFFAOYSA-N 1 2 235.352 2.836 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(CF)cc1 ZINC000852287139 588676167 /nfs/dbraw/zinc/67/61/67/588676167.db2.gz AVEWYIPWJGNSPS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(CF)cc1 ZINC000852287139 588676168 /nfs/dbraw/zinc/67/61/68/588676168.db2.gz AVEWYIPWJGNSPS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(CF)cc1 ZINC000852287139 588676169 /nfs/dbraw/zinc/67/61/69/588676169.db2.gz AVEWYIPWJGNSPS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(CF)cc1 ZINC000852287139 588676170 /nfs/dbraw/zinc/67/61/70/588676170.db2.gz AVEWYIPWJGNSPS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccnc(F)c1C)C(F)F ZINC000862382635 589206949 /nfs/dbraw/zinc/20/69/49/589206949.db2.gz XFPIULPDMFLUKG-SECBINFHSA-N 1 2 232.249 2.662 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccns1 ZINC000862539232 589218399 /nfs/dbraw/zinc/21/83/99/589218399.db2.gz JMSHMNOBZOZEOD-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000863455162 589288932 /nfs/dbraw/zinc/28/89/32/589288932.db2.gz XQNNQGRBBITVIT-SCZZXKLOSA-N 1 2 238.718 2.843 20 0 BFADLO COC1(C(N)=[NH+]OCc2ccccc2)CCCC1 ZINC000863478313 589292168 /nfs/dbraw/zinc/29/21/68/589292168.db2.gz GRGVDTOZSYNTHV-UHFFFAOYSA-N 1 2 248.326 2.644 20 0 BFADLO COC1(C(N)=[NH+]O[C@H](C)CC(C)C)CCCC1 ZINC000863477690 589292278 /nfs/dbraw/zinc/29/22/78/589292278.db2.gz SNDAGZSLSZZDGJ-LLVKDONJSA-N 1 2 242.363 2.879 20 0 BFADLO COC1(C(N)=[NH+]OCCC(C)(C)C)CCCC1 ZINC000863478066 589292300 /nfs/dbraw/zinc/29/23/00/589292300.db2.gz ITNDNZOKPUOSMK-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO CCC(CC)CO[NH+]=C(N)C1(OC)CCCC1 ZINC000863477072 589292313 /nfs/dbraw/zinc/29/23/13/589292313.db2.gz FNQLKQGESJAJFN-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO Cc1[nH]cc(-c2ccc3c(c2)C[C@@H](C)O3)[nH+]1 ZINC000863679666 589310285 /nfs/dbraw/zinc/31/02/85/589310285.db2.gz GMOJOXJXGIHNOG-MRVPVSSYSA-N 1 2 214.268 2.709 20 0 BFADLO CCOc1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000863715726 589312829 /nfs/dbraw/zinc/31/28/29/589312829.db2.gz CVXICKWDFJTLMB-UHFFFAOYSA-N 1 2 202.257 2.784 20 0 BFADLO Cc1ccc(-c2c[nH+]c(C(C)C)n2C)cn1 ZINC000863974935 589331181 /nfs/dbraw/zinc/33/11/81/589331181.db2.gz XOCNPKWHOOCTES-UHFFFAOYSA-N 1 2 215.300 2.914 20 0 BFADLO C[C@H]1CCC[C@@H](C2C[NH+](Cc3cnc[nH]3)C2)C1 ZINC000864055128 589335860 /nfs/dbraw/zinc/33/58/60/589335860.db2.gz IPUWKAGTSRJPGC-NWDGAFQWSA-N 1 2 233.359 2.668 20 0 BFADLO C[C@H](O)c1ccc(N(C)C[C@@H]2CC2(C)C)[nH+]c1 ZINC000864088390 589342836 /nfs/dbraw/zinc/34/28/36/589342836.db2.gz AMPOEQKRYWPTBE-JQWIXIFHSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@]2(C)CC2(F)F)[nH+]1 ZINC000864093242 589344431 /nfs/dbraw/zinc/34/44/31/589344431.db2.gz KTCHBSUHJHJIFG-LDYMZIIASA-N 1 2 242.269 2.592 20 0 BFADLO CC[C@H](CC(=O)NC1=[NH+]CCS1)C(C)(C)C ZINC000864604798 589382792 /nfs/dbraw/zinc/38/27/92/589382792.db2.gz ZPEYOEPVXSRZFG-SECBINFHSA-N 1 2 242.388 2.668 20 0 BFADLO CC[C@@H](CC(=O)NC1=[NH+]CCS1)C(C)(C)C ZINC000864604799 589382840 /nfs/dbraw/zinc/38/28/40/589382840.db2.gz ZPEYOEPVXSRZFG-VIFPVBQESA-N 1 2 242.388 2.668 20 0 BFADLO CC(C)(C)c1cn(CC2CCOCC2)c[nH+]1 ZINC000865375285 589428316 /nfs/dbraw/zinc/42/83/16/589428316.db2.gz IAKXMFAQJUKLEW-UHFFFAOYSA-N 1 2 222.332 2.607 20 0 BFADLO CC(C)(C)c1cn(CCC[C@H]2CCOC2)c[nH+]1 ZINC000865376695 589428907 /nfs/dbraw/zinc/42/89/07/589428907.db2.gz ZHBXWLIRXGGYLX-LBPRGKRZSA-N 1 2 236.359 2.997 20 0 BFADLO CCC[C@H](O)CCCSCCn1cc[nH+]c1 ZINC000865380416 589429569 /nfs/dbraw/zinc/42/95/69/589429569.db2.gz NNKGIEUIBKCTGT-LBPRGKRZSA-N 1 2 242.388 2.558 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2C3CCC2CC3)[nH]1 ZINC000865429377 589435612 /nfs/dbraw/zinc/43/56/12/589435612.db2.gz SMYAOORLSMYWKD-UHFFFAOYSA-N 1 2 248.717 2.694 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865442538 589436278 /nfs/dbraw/zinc/43/62/78/589436278.db2.gz NTNIQSPLJFWIKN-RNFRBKRXSA-N 1 2 236.706 2.679 20 0 BFADLO CC(C)Cc1cc(NC[C@@H]2CCCCO2)nc[nH+]1 ZINC000865468201 589438752 /nfs/dbraw/zinc/43/87/52/589438752.db2.gz WAUNIIKZPKSJQE-ZDUSSCGKSA-N 1 2 249.358 2.656 20 0 BFADLO C[C@@H](O)c1ccc(NC[C@@H]2CC=CCC2)[nH+]c1 ZINC000865470514 589439395 /nfs/dbraw/zinc/43/93/95/589439395.db2.gz CMODPBGAWMJPFP-VXGBXAGGSA-N 1 2 232.327 2.903 20 0 BFADLO CC(C)Cc1cc(NCC2CCOCC2)nc[nH+]1 ZINC000865489145 589440504 /nfs/dbraw/zinc/44/05/04/589440504.db2.gz VYJRXRYUZYUOJE-UHFFFAOYSA-N 1 2 249.358 2.514 20 0 BFADLO CC(C)Cc1cc(NCCOCC2CC2)nc[nH+]1 ZINC000865528250 589443498 /nfs/dbraw/zinc/44/34/98/589443498.db2.gz XAAILOHAZWNLQR-UHFFFAOYSA-N 1 2 249.358 2.514 20 0 BFADLO CSC[C@@H](C)Nc1cc(CC(C)C)[nH+]cn1 ZINC000865546954 589445189 /nfs/dbraw/zinc/44/51/89/589445189.db2.gz LIRDIRNJGGECLP-SNVBAGLBSA-N 1 2 239.388 2.839 20 0 BFADLO CC(C)Cc1cc(NCC[C@@H]2CCOC2)nc[nH+]1 ZINC000865675274 589455639 /nfs/dbraw/zinc/45/56/39/589455639.db2.gz XTZVWVNIUUUYJI-GFCCVEGCSA-N 1 2 249.358 2.514 20 0 BFADLO CC(C)Cc1cc(NC[C@@H]2CCC=CO2)nc[nH+]1 ZINC000865709291 589457800 /nfs/dbraw/zinc/45/78/00/589457800.db2.gz SGUADTWAJKZBTM-ZDUSSCGKSA-N 1 2 247.342 2.780 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000865728411 589458883 /nfs/dbraw/zinc/45/88/83/589458883.db2.gz CZPKFCGOKOPGOK-AAEUAGOBSA-N 1 2 249.358 2.512 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CCC[C@H]3C[C@H]32)[nH]1 ZINC000865793384 589462137 /nfs/dbraw/zinc/46/21/37/589462137.db2.gz ICDHWGQOICQEJO-IONNQARKSA-N 1 2 248.717 2.552 20 0 BFADLO C[C@H](F)CCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865834011 589463879 /nfs/dbraw/zinc/46/38/79/589463879.db2.gz OENBRDXJXAYOKL-LURJTMIESA-N 1 2 242.685 2.771 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CC[C@@H]2C2CC2)[nH]1 ZINC000865844454 589464544 /nfs/dbraw/zinc/46/45/44/589464544.db2.gz BQZGISMSLNDXFU-SECBINFHSA-N 1 2 248.717 2.552 20 0 BFADLO C[C@H](O)c1ccc(N2CC[C@@H](C3CCC3)C2)[nH+]c1 ZINC000865880916 589467120 /nfs/dbraw/zinc/46/71/20/589467120.db2.gz RWHLUSRYVDZMNN-SMDDNHRTSA-N 1 2 246.354 2.761 20 0 BFADLO C[C@@H](O)c1ccc(NCCCc2ccco2)[nH+]c1 ZINC000865952788 589469989 /nfs/dbraw/zinc/46/99/89/589469989.db2.gz QPULFOSJGCWWKP-LLVKDONJSA-N 1 2 246.310 2.773 20 0 BFADLO Cc1nocc1CNc1cc[nH+]c(C(C)C)n1 ZINC000866020472 589472882 /nfs/dbraw/zinc/47/28/82/589472882.db2.gz MRVREJYCVZMBOQ-UHFFFAOYSA-N 1 2 232.287 2.509 20 0 BFADLO CC(C)c1nc(N[C@H]2C[C@@H](C)O[C@H]2C)cc[nH+]1 ZINC000866042790 589473505 /nfs/dbraw/zinc/47/35/05/589473505.db2.gz FGFZZGUSVGRIJT-VWYCJHECSA-N 1 2 235.331 2.578 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H]2CCCC[C@@H]2F)[nH+]c1 ZINC000866044906 589473791 /nfs/dbraw/zinc/47/37/91/589473791.db2.gz DRKOHSOJNNNKCB-ADEWGFFLSA-N 1 2 238.306 2.828 20 0 BFADLO CS[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000866101279 589476222 /nfs/dbraw/zinc/47/62/22/589476222.db2.gz JSNHHEKZHCNJFJ-XYPYZODXSA-N 1 2 249.383 2.968 20 0 BFADLO CS[C@H]1C[C@H](Nc2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000866100918 589476227 /nfs/dbraw/zinc/47/62/27/589476227.db2.gz BCJGCVZAQMJMPZ-KYZUINATSA-N 1 2 248.355 2.572 20 0 BFADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000866240742 589482076 /nfs/dbraw/zinc/48/20/76/589482076.db2.gz MOYMENBINWPUNQ-TZMCWYRMSA-N 1 2 247.269 2.841 20 0 BFADLO CC[C@H](C[C@@H](C)O)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000866300627 589484871 /nfs/dbraw/zinc/48/48/71/589484871.db2.gz XINATEYSHDUMCD-ZYHUDNBSSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000866492340 589497297 /nfs/dbraw/zinc/49/72/97/589497297.db2.gz MMRKFMHDGRKVMM-HUXSOILUSA-N 1 2 244.338 2.929 20 0 BFADLO CC/C=C(/F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868790967 589577038 /nfs/dbraw/zinc/57/70/38/589577038.db2.gz FWCIDBQPBZWBGG-LFYBBSHMSA-N 1 2 236.290 2.578 20 0 BFADLO FC(F)Cn1cc[nH+]c1CSC1CCC1 ZINC000871672995 589787678 /nfs/dbraw/zinc/78/76/78/589787678.db2.gz DLZYHCSSOBLBFB-UHFFFAOYSA-N 1 2 232.299 2.934 20 0 BFADLO Cc1conc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871680891 589790212 /nfs/dbraw/zinc/79/02/12/589790212.db2.gz NKNPCBYTNUWTNC-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO CCCSCc1[nH+]ccn1CC(F)F ZINC000871696751 589793275 /nfs/dbraw/zinc/79/32/75/589793275.db2.gz PHBDDCLOCPLPHX-UHFFFAOYSA-N 1 2 220.288 2.791 20 0 BFADLO FCCCSCc1[nH+]ccn1CC(F)F ZINC000871699886 589794333 /nfs/dbraw/zinc/79/43/33/589794333.db2.gz FBLKZKJCAZIQOU-UHFFFAOYSA-N 1 2 238.278 2.741 20 0 BFADLO FC(F)Cn1cc[nH+]c1CNc1ccccc1 ZINC000871809104 589820758 /nfs/dbraw/zinc/82/07/58/589820758.db2.gz QIVOAELVGRCKRG-UHFFFAOYSA-N 1 2 237.253 2.760 20 0 BFADLO Cc1ccncc1-c1c[nH+]c(C(C)C)n1C ZINC000871890550 589830535 /nfs/dbraw/zinc/83/05/35/589830535.db2.gz YRDCRWNTHIUNBG-UHFFFAOYSA-N 1 2 215.300 2.914 20 0 BFADLO C[N@@H+]1CCCc2cc(NCc3ccon3)ccc21 ZINC000873083129 589983354 /nfs/dbraw/zinc/98/33/54/589983354.db2.gz WJDUJRCYVHTTKA-UHFFFAOYSA-N 1 2 243.310 2.669 20 0 BFADLO C[N@H+]1CCCc2cc(NCc3ccon3)ccc21 ZINC000873083129 589983357 /nfs/dbraw/zinc/98/33/57/589983357.db2.gz WJDUJRCYVHTTKA-UHFFFAOYSA-N 1 2 243.310 2.669 20 0 BFADLO CCC[C@H](C)C[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125634 590076727 /nfs/dbraw/zinc/07/67/27/590076727.db2.gz SDGAYBUQAKZYQE-JTQLQIEISA-N 1 2 248.326 2.866 20 0 BFADLO CCN(C(=O)c1ccn2cc(C)[nH+]c2c1)C(C)C ZINC000874110663 590092654 /nfs/dbraw/zinc/09/26/54/590092654.db2.gz QXWWQQDUPQBCED-UHFFFAOYSA-N 1 2 245.326 2.513 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1c[nH+]ccc1OC ZINC000874258182 590099509 /nfs/dbraw/zinc/09/95/09/590099509.db2.gz ANJYKONXNYZJPO-JTQLQIEISA-N 1 2 236.315 2.855 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ccoc2)s1 ZINC000125189202 590150138 /nfs/dbraw/zinc/15/01/38/590150138.db2.gz IPKMMQDILRHNRK-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1[nH+]cccc1NC[C@H]1CC1(Cl)Cl ZINC000877115540 590287921 /nfs/dbraw/zinc/28/79/21/590287921.db2.gz KDPUWKPRHXGOIO-MRVPVSSYSA-N 1 2 231.126 2.996 20 0 BFADLO CC(C)([NH2+]C[C@@H]1CC1(Cl)Cl)C(F)F ZINC000877490361 590339908 /nfs/dbraw/zinc/33/99/08/590339908.db2.gz YGLCZIHFJMLZTG-YFKPBYRVSA-N 1 2 232.101 2.814 20 0 BFADLO COc1c(C)c[nH+]c(CN2CC(C3CC3)C2)c1C ZINC000877542941 590351414 /nfs/dbraw/zinc/35/14/14/590351414.db2.gz ZKITWTBCUAMPIQ-UHFFFAOYSA-N 1 2 246.354 2.549 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000877548474 590353898 /nfs/dbraw/zinc/35/38/98/590353898.db2.gz XJPHRWKXWKPMSQ-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1nc(Cl)cs1 ZINC000877548474 590353900 /nfs/dbraw/zinc/35/39/00/590353900.db2.gz XJPHRWKXWKPMSQ-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000877548473 590354691 /nfs/dbraw/zinc/35/46/91/590354691.db2.gz XJPHRWKXWKPMSQ-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1nc(Cl)cs1 ZINC000877548473 590354694 /nfs/dbraw/zinc/35/46/94/590354694.db2.gz XJPHRWKXWKPMSQ-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO CCOc1cccc(F)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000877559896 590358687 /nfs/dbraw/zinc/35/86/87/590358687.db2.gz ZJUYENRZMKYZQM-SNVBAGLBSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cccc(F)c1C[N@H+]1CC[C@@H](F)C1 ZINC000877559896 590358690 /nfs/dbraw/zinc/35/86/90/590358690.db2.gz ZJUYENRZMKYZQM-SNVBAGLBSA-N 1 2 241.281 2.768 20 0 BFADLO CC1(C)C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000877717084 590399543 /nfs/dbraw/zinc/39/95/43/590399543.db2.gz GBMXLAPDCBNBHF-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CC([C@H]2CCC[C@H](C)C2)C1 ZINC000877763521 590419538 /nfs/dbraw/zinc/41/95/38/590419538.db2.gz AXLWQIQPMOQTTP-AAEUAGOBSA-N 1 2 247.386 2.976 20 0 BFADLO CC(C)(C)OC1C[NH+](Cc2cccs2)C1 ZINC000877772246 590422538 /nfs/dbraw/zinc/42/25/38/590422538.db2.gz VIZWWRHHYFROOD-UHFFFAOYSA-N 1 2 225.357 2.747 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)no1 ZINC000877811945 590427156 /nfs/dbraw/zinc/42/71/56/590427156.db2.gz CTARRURNAFJAQU-SNVBAGLBSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)no1 ZINC000877811945 590427157 /nfs/dbraw/zinc/42/71/57/590427157.db2.gz CTARRURNAFJAQU-SNVBAGLBSA-N 1 2 248.248 2.757 20 0 BFADLO CCCNc1cc(NCc2ccoc2)nc[nH+]1 ZINC000126723972 590428006 /nfs/dbraw/zinc/42/80/06/590428006.db2.gz IYRKUWLKZCRWDN-UHFFFAOYSA-N 1 2 232.287 2.504 20 0 BFADLO CCCNc1cc(NCc2ccoc2)[nH+]cn1 ZINC000126723972 590428008 /nfs/dbraw/zinc/42/80/08/590428008.db2.gz IYRKUWLKZCRWDN-UHFFFAOYSA-N 1 2 232.287 2.504 20 0 BFADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)CCS1 ZINC000878054302 590483468 /nfs/dbraw/zinc/48/34/68/590483468.db2.gz DHVGBGYAVRVIDC-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)CCS1 ZINC000878054302 590483471 /nfs/dbraw/zinc/48/34/71/590483471.db2.gz DHVGBGYAVRVIDC-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO Cc1conc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000878240731 590527939 /nfs/dbraw/zinc/52/79/39/590527939.db2.gz WZWDPEVREARFPJ-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1conc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000878308586 590540251 /nfs/dbraw/zinc/54/02/51/590540251.db2.gz GLWWLFJBGMGLAY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1conc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000878308586 590540254 /nfs/dbraw/zinc/54/02/54/590540254.db2.gz GLWWLFJBGMGLAY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000878310719 590540579 /nfs/dbraw/zinc/54/05/79/590540579.db2.gz PQIXRMISZHDTNM-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000878310719 590540581 /nfs/dbraw/zinc/54/05/81/590540581.db2.gz PQIXRMISZHDTNM-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000878314142 590540593 /nfs/dbraw/zinc/54/05/93/590540593.db2.gz PXXGYKXRLXVUPN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000878314142 590540595 /nfs/dbraw/zinc/54/05/95/590540595.db2.gz PXXGYKXRLXVUPN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000878314143 590541144 /nfs/dbraw/zinc/54/11/44/590541144.db2.gz PXXGYKXRLXVUPN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000878314143 590541146 /nfs/dbraw/zinc/54/11/46/590541146.db2.gz PXXGYKXRLXVUPN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878321721 590545007 /nfs/dbraw/zinc/54/50/07/590545007.db2.gz UIFBQZUTGGDOGX-QWRGUYRKSA-N 1 2 245.313 2.818 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878321721 590545009 /nfs/dbraw/zinc/54/50/09/590545009.db2.gz UIFBQZUTGGDOGX-QWRGUYRKSA-N 1 2 245.313 2.818 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2CCC=C(F)C2)OC1 ZINC000878339796 590551266 /nfs/dbraw/zinc/55/12/66/590551266.db2.gz PXWXIWDLRXBIGD-GFCCVEGCSA-N 1 2 227.323 2.751 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2CCC=C(F)C2)OC1 ZINC000878339796 590551269 /nfs/dbraw/zinc/55/12/69/590551269.db2.gz PXWXIWDLRXBIGD-GFCCVEGCSA-N 1 2 227.323 2.751 20 0 BFADLO FC1(F)CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878379441 590557045 /nfs/dbraw/zinc/55/70/45/590557045.db2.gz LQDJJRINHNILQV-UHFFFAOYSA-N 1 2 215.287 2.908 20 0 BFADLO FC1(F)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC000878379441 590557046 /nfs/dbraw/zinc/55/70/46/590557046.db2.gz LQDJJRINHNILQV-UHFFFAOYSA-N 1 2 215.287 2.908 20 0 BFADLO Cc1conc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000878417444 590563270 /nfs/dbraw/zinc/56/32/70/590563270.db2.gz AYPCTYGZKTUOJY-LLVKDONJSA-N 1 2 248.330 2.611 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1scnc1Cl ZINC000878653078 590602067 /nfs/dbraw/zinc/60/20/67/590602067.db2.gz ZVOXIDRANQOKQD-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1scnc1Cl ZINC000878653078 590602068 /nfs/dbraw/zinc/60/20/68/590602068.db2.gz ZVOXIDRANQOKQD-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)[C@@H]1C ZINC000878653080 590602184 /nfs/dbraw/zinc/60/21/84/590602184.db2.gz ZVOXIDRANQOKQD-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)[C@@H]1C ZINC000878653080 590602185 /nfs/dbraw/zinc/60/21/85/590602185.db2.gz ZVOXIDRANQOKQD-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H](O)C[N@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878684677 590609489 /nfs/dbraw/zinc/60/94/89/590609489.db2.gz WZXRJVSWAZYTEG-SNVBAGLBSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H](O)C[N@@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878684677 590609490 /nfs/dbraw/zinc/60/94/90/590609490.db2.gz WZXRJVSWAZYTEG-SNVBAGLBSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC=C(Cl)C2)nc1 ZINC000878791197 590621346 /nfs/dbraw/zinc/62/13/46/590621346.db2.gz ITJFDLCZLRTWRZ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ccc(C[N@H+]2CCC=C(Cl)C2)nc1 ZINC000878791197 590621348 /nfs/dbraw/zinc/62/13/48/590621348.db2.gz ITJFDLCZLRTWRZ-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO CCc1nocc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790374 590622408 /nfs/dbraw/zinc/62/24/08/590622408.db2.gz KAGBGWSOJZXBQB-UHFFFAOYSA-N 1 2 226.707 2.565 20 0 BFADLO CCc1nocc1C[N@H+]1CCC=C(Cl)C1 ZINC000878790374 590622409 /nfs/dbraw/zinc/62/24/09/590622409.db2.gz KAGBGWSOJZXBQB-UHFFFAOYSA-N 1 2 226.707 2.565 20 0 BFADLO FC1(F)CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878803599 590624997 /nfs/dbraw/zinc/62/49/97/590624997.db2.gz DUQNMJYIEDJXLL-LLVKDONJSA-N 1 2 245.313 2.677 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000878803599 590624998 /nfs/dbraw/zinc/62/49/98/590624998.db2.gz DUQNMJYIEDJXLL-LLVKDONJSA-N 1 2 245.313 2.677 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878804246 590625707 /nfs/dbraw/zinc/62/57/07/590625707.db2.gz NWUBSENKXSYFBQ-GRYCIOLGSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000878804246 590625708 /nfs/dbraw/zinc/62/57/08/590625708.db2.gz NWUBSENKXSYFBQ-GRYCIOLGSA-N 1 2 245.313 2.675 20 0 BFADLO Cc1ccc(NC(=O)NC[C@H]2C=CCC2)c(C)[nH+]1 ZINC000878909590 590645693 /nfs/dbraw/zinc/64/56/93/590645693.db2.gz VGIFHFXPYKKTQH-LBPRGKRZSA-N 1 2 245.326 2.786 20 0 BFADLO CO[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC000878968744 590661405 /nfs/dbraw/zinc/66/14/05/590661405.db2.gz ZYSCBYREQKFYDA-OAHLLOKOSA-N 1 2 249.354 2.615 20 0 BFADLO CO[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2)CCO1 ZINC000878968744 590661409 /nfs/dbraw/zinc/66/14/09/590661409.db2.gz ZYSCBYREQKFYDA-OAHLLOKOSA-N 1 2 249.354 2.615 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCCCC1CC1 ZINC000879072370 590692061 /nfs/dbraw/zinc/69/20/61/590692061.db2.gz AYWFLWAPKXFGDY-UHFFFAOYSA-N 1 2 247.342 2.514 20 0 BFADLO CCn1nc(C)c(C[N@H+](C)C/C=C\Cl)c1C ZINC000879119329 590699009 /nfs/dbraw/zinc/69/90/09/590699009.db2.gz ZZFWLVZDGXGDJI-SREVYHEPSA-N 1 2 241.766 2.704 20 0 BFADLO CCn1nc(C)c(C[N@@H+](C)C/C=C\Cl)c1C ZINC000879119329 590699015 /nfs/dbraw/zinc/69/90/15/590699015.db2.gz ZZFWLVZDGXGDJI-SREVYHEPSA-N 1 2 241.766 2.704 20 0 BFADLO Cc1conc1C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000879252673 590720693 /nfs/dbraw/zinc/72/06/93/590720693.db2.gz XSNJQCWGHWDCHP-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO FCC[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477144 590777792 /nfs/dbraw/zinc/77/77/92/590777792.db2.gz BGTHPKUIDBZFIM-CYBMUJFWSA-N 1 2 225.282 2.917 20 0 BFADLO FCC[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477144 590777795 /nfs/dbraw/zinc/77/77/95/590777795.db2.gz BGTHPKUIDBZFIM-CYBMUJFWSA-N 1 2 225.282 2.917 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000879504860 590783318 /nfs/dbraw/zinc/78/33/18/590783318.db2.gz PPDJVUKSRZYKIX-GHMZBOCLSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000879504860 590783319 /nfs/dbraw/zinc/78/33/19/590783319.db2.gz PPDJVUKSRZYKIX-GHMZBOCLSA-N 1 2 249.276 2.748 20 0 BFADLO Cl/C=C(\Cl)C[NH2+][C@H]1CCCn2nccc21 ZINC000879788449 590869322 /nfs/dbraw/zinc/86/93/22/590869322.db2.gz HIGKOFZTJBMUSB-XZLDQRQTSA-N 1 2 246.141 2.627 20 0 BFADLO CCON(CC)Cc1cc(OC(C)C)cc[nH+]1 ZINC000879798253 590876013 /nfs/dbraw/zinc/87/60/13/590876013.db2.gz OXKMNMJZUCIDID-UHFFFAOYSA-N 1 2 238.331 2.642 20 0 BFADLO CCc1cc(NCC(C)(C)SC)nc[nH+]1 ZINC000128009491 590879049 /nfs/dbraw/zinc/87/90/49/590879049.db2.gz IGTLDCDNJNFKAB-UHFFFAOYSA-N 1 2 225.361 2.593 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000880085904 590922145 /nfs/dbraw/zinc/92/21/45/590922145.db2.gz GAQJMUZIVIGMNX-UHIISALHSA-N 1 2 249.358 2.803 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1ccc(F)c(C)c1 ZINC000880178081 590950126 /nfs/dbraw/zinc/95/01/26/590950126.db2.gz NOYAOYMIXDJDDH-UHFFFAOYSA-N 1 2 247.317 2.894 20 0 BFADLO C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C(F)F ZINC000880533236 591085737 /nfs/dbraw/zinc/08/57/37/591085737.db2.gz BFJKVCHUZPIKSP-XVKPBYJWSA-N 1 2 249.688 2.617 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000880657110 591120472 /nfs/dbraw/zinc/12/04/72/591120472.db2.gz QMBAZEDHQBFMMH-SMDDNHRTSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000880657110 591120473 /nfs/dbraw/zinc/12/04/73/591120473.db2.gz QMBAZEDHQBFMMH-SMDDNHRTSA-N 1 2 249.358 2.585 20 0 BFADLO CCCCOCCCNc1nc[nH+]c(C)c1C ZINC000881742871 591268613 /nfs/dbraw/zinc/26/86/13/591268613.db2.gz FVYZPSNEUUXWKG-UHFFFAOYSA-N 1 2 237.347 2.712 20 0 BFADLO Cc1nc(CCNc2nc[nH+]c(C)c2C)cs1 ZINC000881786569 591271399 /nfs/dbraw/zinc/27/13/99/591271399.db2.gz KPAGCQLOMUDWGV-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1[nH+]cnc(NCCOC2CCCCC2)c1C ZINC000881834129 591274028 /nfs/dbraw/zinc/27/40/28/591274028.db2.gz MBDABAHQMBJAMS-UHFFFAOYSA-N 1 2 249.358 2.855 20 0 BFADLO C=C/C=C\CCSc1[nH+]cnc2c1cnn2C ZINC000882089485 591295632 /nfs/dbraw/zinc/29/56/32/591295632.db2.gz QWOWGCMEPFTTSP-PLNGDYQASA-N 1 2 246.339 2.588 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H](C)[C@@H](C)C2)c1C ZINC000882146716 591306257 /nfs/dbraw/zinc/30/62/57/591306257.db2.gz AMYMZTRIVKJJLZ-UWVGGRQHSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(NCc2ccc(Cl)cn2)c1C ZINC000882162708 591309386 /nfs/dbraw/zinc/30/93/86/591309386.db2.gz UALIEKVQHCPMRE-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCn1ccc(CN(C)c2nc[nH+]c(C)c2C)c1 ZINC000882247665 591321294 /nfs/dbraw/zinc/32/12/94/591321294.db2.gz WUSKETFMMXOYKT-UHFFFAOYSA-N 1 2 244.342 2.551 20 0 BFADLO OCCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882274296 591324209 /nfs/dbraw/zinc/32/42/09/591324209.db2.gz GPJFXGRXDAWMHZ-UHFFFAOYSA-N 1 2 234.274 2.558 20 0 BFADLO CCc1cc(N[C@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000129648863 591347466 /nfs/dbraw/zinc/34/74/66/591347466.db2.gz ONYROVHIKGMJPB-KOLCDFICSA-N 1 2 205.305 2.640 20 0 BFADLO COCC1(CNc2nc[nH+]c(C)c2C)CCCC1 ZINC000882432891 591347550 /nfs/dbraw/zinc/34/75/50/591347550.db2.gz QCIPRODYBAYYBM-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO CO[C@H](CNc1nc[nH+]c(C)c1C)CC(C)C ZINC000882467337 591353178 /nfs/dbraw/zinc/35/31/78/591353178.db2.gz ZHVNYKHYGANIPG-LBPRGKRZSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1[nH+]cnc(NCCCOC(C)(C)C)c1C ZINC000882618130 591400193 /nfs/dbraw/zinc/40/01/93/591400193.db2.gz JPIICPXUSPTMPV-UHFFFAOYSA-N 1 2 237.347 2.711 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@@H](CCF)C2)c1C ZINC000882620927 591401761 /nfs/dbraw/zinc/40/17/61/591401761.db2.gz BYZMWRDVSJEQGQ-LBPRGKRZSA-N 1 2 237.322 2.669 20 0 BFADLO Cc1[nH+]cnc(N2CCCC(F)(F)CC2)c1C ZINC000882651768 591406652 /nfs/dbraw/zinc/40/66/52/591406652.db2.gz VDXBDRWFPQKKRX-UHFFFAOYSA-N 1 2 241.285 2.719 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CCCS2)c1C ZINC000882687623 591411785 /nfs/dbraw/zinc/41/17/85/591411785.db2.gz SJMXYCZKLISHFF-NSHDSACASA-N 1 2 237.372 2.791 20 0 BFADLO Fc1c[nH+]ccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000882701604 591413764 /nfs/dbraw/zinc/41/37/64/591413764.db2.gz YBGBDNOZMYGFBR-PHIMTYICSA-N 1 2 218.275 2.623 20 0 BFADLO C[C@@]1(C(F)(F)F)CCN(c2cc[nH+]cc2F)C1 ZINC000882716854 591419529 /nfs/dbraw/zinc/41/95/29/591419529.db2.gz GGHDVDQYZCHJRN-SNVBAGLBSA-N 1 2 248.223 2.999 20 0 BFADLO Cc1nc(NCC(C)(C)CC(F)F)cc[nH+]1 ZINC000882782403 591437460 /nfs/dbraw/zinc/43/74/60/591437460.db2.gz RBIKJNRFHSJIAS-UHFFFAOYSA-N 1 2 229.274 2.878 20 0 BFADLO CCCCNC(=S)Nc1ccc(C)[nH+]c1C ZINC000130103021 591437673 /nfs/dbraw/zinc/43/76/73/591437673.db2.gz MWHAGURQLVIXDC-UHFFFAOYSA-N 1 2 237.372 2.785 20 0 BFADLO CO[C@H]1C[C@H](CNc2cc(CC(C)C)[nH+]cn2)C1 ZINC000882797037 591441419 /nfs/dbraw/zinc/44/14/19/591441419.db2.gz NPQUWANTRLHRHZ-AULYBMBSSA-N 1 2 249.358 2.512 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H](CF)C2)cc[nH+]1 ZINC000882801046 591442977 /nfs/dbraw/zinc/44/29/77/591442977.db2.gz BHJMPQXIPOBDHB-NSHDSACASA-N 1 2 237.322 2.786 20 0 BFADLO C[C@H](O)c1ccc(N2CC[C@H](C)[C@@H](C)C2)[nH+]c1 ZINC000130310612 591456995 /nfs/dbraw/zinc/45/69/95/591456995.db2.gz CNXPUYXJWYGAAC-SRVKXCTJSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1ccc(N2CCC[C@@H](C)CC2)[nH+]c1 ZINC000213287299 591460676 /nfs/dbraw/zinc/46/06/76/591460676.db2.gz AVCGRCJZORAFLL-VXGBXAGGSA-N 1 2 234.343 2.761 20 0 BFADLO Cc1nc(N2CCc3ccsc3[C@H]2C)cc[nH+]1 ZINC000882912614 591474212 /nfs/dbraw/zinc/47/42/12/591474212.db2.gz YHXVTQOFZLWWIY-SECBINFHSA-N 1 2 245.351 2.970 20 0 BFADLO Cc1nc(N2CCc3ccsc3[C@@H]2C)cc[nH+]1 ZINC000882912615 591474630 /nfs/dbraw/zinc/47/46/30/591474630.db2.gz YHXVTQOFZLWWIY-VIFPVBQESA-N 1 2 245.351 2.970 20 0 BFADLO C=C/C=C/CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000882973576 591488820 /nfs/dbraw/zinc/48/88/20/591488820.db2.gz CMMLDEOWKPKQMF-NNNHXZLVSA-N 1 2 240.347 2.678 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883127075 591545321 /nfs/dbraw/zinc/54/53/21/591545321.db2.gz KZAZOWIRIUJMKI-UHFFFAOYSA-N 1 2 233.315 2.724 20 0 BFADLO CC[C@@H](COC)Nc1c[nH+]c(C)c(C)c1 ZINC000883341978 591618657 /nfs/dbraw/zinc/61/86/57/591618657.db2.gz GMWAGNRWNNYCBV-NSHDSACASA-N 1 2 208.305 2.535 20 0 BFADLO COc1cncc(CNc2c[nH+]c(C)c(C)c2)c1 ZINC000883341240 591620174 /nfs/dbraw/zinc/62/01/74/591620174.db2.gz KXXUNNUSGPPZQD-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)c[nH+]c1C ZINC000883342233 591621576 /nfs/dbraw/zinc/62/15/76/591621576.db2.gz PGRQAJRAEZZJRV-NWDGAFQWSA-N 1 2 220.316 2.535 20 0 BFADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCOC1 ZINC000883342272 591621979 /nfs/dbraw/zinc/62/19/79/591621979.db2.gz RAEQACFEVRAYPF-OCCSQVGLSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@@H](C)Cc2cnccn2)c[nH+]c1C ZINC000883343061 591622881 /nfs/dbraw/zinc/62/28/81/591622881.db2.gz YPELHHJKTBBFSZ-NSHDSACASA-N 1 2 242.326 2.532 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@H]2C)c[nH+]c1C ZINC000883342849 591622896 /nfs/dbraw/zinc/62/28/96/591622896.db2.gz OEKSPIDWPPJLBB-MFKMUULPSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc([C@H](C)Nc2c[nH+]c(C)c(C)c2)n(C)n1 ZINC000883342841 591623342 /nfs/dbraw/zinc/62/33/42/591623342.db2.gz NVUODVFPHGPMAH-LBPRGKRZSA-N 1 2 244.342 2.913 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)c[nH+]c1C ZINC000883342850 591623399 /nfs/dbraw/zinc/62/33/99/591623399.db2.gz OEKSPIDWPPJLBB-ZWNOBZJWSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)C(F)F)c(C)o1 ZINC000883407026 591649858 /nfs/dbraw/zinc/64/98/58/591649858.db2.gz JCFRHEYHXSYNNU-SSDOTTSWSA-N 1 2 203.232 2.640 20 0 BFADLO CCc1nc(NCC2(C(F)(F)F)CC2)cc[nH+]1 ZINC000884506708 591960490 /nfs/dbraw/zinc/96/04/90/591960490.db2.gz KSPLPCATZRFUDG-UHFFFAOYSA-N 1 2 245.248 2.793 20 0 BFADLO CCc1nc(NCCC2(COC)CCC2)cc[nH+]1 ZINC000884516760 591963273 /nfs/dbraw/zinc/96/32/73/591963273.db2.gz SIBCQZHHRKBLIW-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO CCc1nc(NC[C@@H](OC)[C@@H](C)CC)cc[nH+]1 ZINC000884518274 591964162 /nfs/dbraw/zinc/96/41/62/591964162.db2.gz KHOFNBJGHXLEAD-WDEREUQCSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1nc(NC[C@H](C)CC(F)F)cc[nH+]1 ZINC000884541411 591972084 /nfs/dbraw/zinc/97/20/84/591972084.db2.gz CVTJOWITGGQAJO-MRVPVSSYSA-N 1 2 229.274 2.742 20 0 BFADLO CCc1nc(N2CCC23CCCC3)cc[nH+]1 ZINC000884543514 591973330 /nfs/dbraw/zinc/97/33/30/591973330.db2.gz GWJJTDARTAXSBH-UHFFFAOYSA-N 1 2 217.316 2.562 20 0 BFADLO CCc1nc(N2CCC(CCF)CC2)cc[nH+]1 ZINC000884570130 591983153 /nfs/dbraw/zinc/98/31/53/591983153.db2.gz HPIDZPUAABEOQE-UHFFFAOYSA-N 1 2 237.322 2.615 20 0 BFADLO CCc1nc(N[C@@H]2CCCC[C@@H]2F)cc[nH+]1 ZINC000884570363 591983647 /nfs/dbraw/zinc/98/36/47/591983647.db2.gz NPCDSWJPLFAJMA-VHSXEESVSA-N 1 2 223.295 2.732 20 0 BFADLO CCc1nc(N[C@@]23C[C@@H]2CCCC3)cc[nH+]1 ZINC000884570573 591984520 /nfs/dbraw/zinc/98/45/20/591984520.db2.gz SNPPRKGQPOKNAF-GWCFXTLKSA-N 1 2 217.316 2.784 20 0 BFADLO CCc1nc(NC2(C)CC(F)(F)C2)cc[nH+]1 ZINC000884579766 591986371 /nfs/dbraw/zinc/98/63/71/591986371.db2.gz IRZODICIRJYYCC-UHFFFAOYSA-N 1 2 227.258 2.639 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2C[C@@H]3C[C@@H]3C2)c1 ZINC000884591368 591990096 /nfs/dbraw/zinc/99/00/96/591990096.db2.gz QJIASZUDSOCTKI-PHIMTYICSA-N 1 2 228.270 2.830 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CC(C)(C)CO2)c1C ZINC000884674996 592009246 /nfs/dbraw/zinc/00/92/46/592009246.db2.gz OUZNYWBALFOJNP-GFCCVEGCSA-N 1 2 249.358 2.711 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885979635 592120319 /nfs/dbraw/zinc/12/03/19/592120319.db2.gz IPWQLJQMRFFYPG-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000885979635 592120320 /nfs/dbraw/zinc/12/03/20/592120320.db2.gz IPWQLJQMRFFYPG-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO COc1ccc[nH+]c1NCc1cc(C)co1 ZINC000886052163 592141183 /nfs/dbraw/zinc/14/11/83/592141183.db2.gz MRQMAVWVPXBHIA-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO Fc1cccc(/C=C/C[NH2+]CC(F)F)c1 ZINC000886114580 592156311 /nfs/dbraw/zinc/15/63/11/592156311.db2.gz SGVCOOHBWGEUQM-DUXPYHPUSA-N 1 2 215.218 2.694 20 0 BFADLO Cc1coc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000886136382 592160357 /nfs/dbraw/zinc/16/03/57/592160357.db2.gz MOBMRUOQKCKUME-JQWIXIFHSA-N 1 2 231.299 2.580 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ncco1 ZINC000886272128 592192982 /nfs/dbraw/zinc/19/29/82/592192982.db2.gz HRACGWSVRZOKJE-IUCAKERBSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ncco1 ZINC000886275943 592195411 /nfs/dbraw/zinc/19/54/11/592195411.db2.gz RHKYRXVIADAKJQ-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886276189 592195419 /nfs/dbraw/zinc/19/54/19/592195419.db2.gz ZZEXCLOHGKNNCI-LLVKDONJSA-N 1 2 216.284 2.834 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886275684 592195422 /nfs/dbraw/zinc/19/54/22/592195422.db2.gz IONWPMOFZPORSJ-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886276034 592195826 /nfs/dbraw/zinc/19/58/26/592195826.db2.gz UUZHNFZXAXITHZ-LLVKDONJSA-N 1 2 216.284 2.834 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000219083614 592209124 /nfs/dbraw/zinc/20/91/24/592209124.db2.gz PRYNHMGOWCYZHZ-KOLCDFICSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cncs1 ZINC000886682993 592301891 /nfs/dbraw/zinc/30/18/91/592301891.db2.gz UYNMSCSJMLVNIP-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO COC1CC(Nc2ccc([NH+]3CCCC3)cc2)C1 ZINC000220385987 592309705 /nfs/dbraw/zinc/30/97/05/592309705.db2.gz NKSQFSJLLHDAMX-UHFFFAOYSA-N 1 2 246.354 2.876 20 0 BFADLO COC1CC([NH2+]c2ccc(N3CCCC3)cc2)C1 ZINC000220385987 592309710 /nfs/dbraw/zinc/30/97/10/592309710.db2.gz NKSQFSJLLHDAMX-UHFFFAOYSA-N 1 2 246.354 2.876 20 0 BFADLO CSCCC[N@H+](CC(F)F)C1CCC1 ZINC000887100613 592441545 /nfs/dbraw/zinc/44/15/45/592441545.db2.gz JFWGPAQXTCWFPU-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CSCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100613 592441548 /nfs/dbraw/zinc/44/15/48/592441548.db2.gz JFWGPAQXTCWFPU-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC[C@H](C[N@H+](CC(F)F)C1CCC1)OC ZINC000887102645 592442125 /nfs/dbraw/zinc/44/21/25/592442125.db2.gz YYPPCESTDCPBBY-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H](C[N@@H+](CC(F)F)C1CCC1)OC ZINC000887102645 592442129 /nfs/dbraw/zinc/44/21/29/592442129.db2.gz YYPPCESTDCPBBY-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC1(C)CO[C@H](C[N@H+](CC(F)F)C2CCC2)C1 ZINC000887102371 592443503 /nfs/dbraw/zinc/44/35/03/592443503.db2.gz NRCNDGZFWMHSCP-NSHDSACASA-N 1 2 247.329 2.921 20 0 BFADLO CC1(C)CO[C@H](C[N@@H+](CC(F)F)C2CCC2)C1 ZINC000887102371 592443505 /nfs/dbraw/zinc/44/35/05/592443505.db2.gz NRCNDGZFWMHSCP-NSHDSACASA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[C@@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102651 592443841 /nfs/dbraw/zinc/44/38/41/592443841.db2.gz ZAMPLGQQJNDQKX-ONGXEEELSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@H]1CC[C@@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102651 592443846 /nfs/dbraw/zinc/44/38/46/592443846.db2.gz ZAMPLGQQJNDQKX-ONGXEEELSA-N 1 2 233.302 2.674 20 0 BFADLO CC(C)[C@H](O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887104133 592445260 /nfs/dbraw/zinc/44/52/60/592445260.db2.gz YRUNAFNRCLQVPH-LLVKDONJSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@H](O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887104133 592445262 /nfs/dbraw/zinc/44/52/62/592445262.db2.gz YRUNAFNRCLQVPH-LLVKDONJSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000887137415 592451323 /nfs/dbraw/zinc/45/13/23/592451323.db2.gz HRDVYHXNZXFNJW-SECBINFHSA-N 1 2 229.299 2.545 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000887137415 592451324 /nfs/dbraw/zinc/45/13/24/592451324.db2.gz HRDVYHXNZXFNJW-SECBINFHSA-N 1 2 229.299 2.545 20 0 BFADLO CCc1cc(C(=O)Nc2c(C)cc[nH+]c2C)no1 ZINC000890492130 592701980 /nfs/dbraw/zinc/70/19/80/592701980.db2.gz CNYHRGQMYOKSIV-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CCC2 ZINC000236590534 635602371 /nfs/dbraw/zinc/60/23/71/635602371.db2.gz BUKIAAYMTJPYHQ-CQSZACIVSA-N 1 2 244.294 2.547 20 0 BFADLO C[C@@H]([NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000084222773 631437830 /nfs/dbraw/zinc/43/78/30/631437830.db2.gz MMILBNUUQNNRHY-GFCCVEGCSA-N 1 2 249.354 2.549 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(N(C)C)cc1 ZINC000309135326 631902372 /nfs/dbraw/zinc/90/23/72/631902372.db2.gz SADCINGFUGPCFY-MNOVXSKESA-N 1 2 204.317 2.821 20 0 BFADLO Cc1nc(NCCSC(C)(C)C)cc[nH+]1 ZINC000309231566 631967102 /nfs/dbraw/zinc/96/71/02/631967102.db2.gz WUOSBNWEGTZRKU-UHFFFAOYSA-N 1 2 225.361 2.729 20 0 BFADLO Cc1nn(C[N@@H+](C)CC(C)C)c(=S)s1 ZINC000065943733 632804155 /nfs/dbraw/zinc/80/41/55/632804155.db2.gz XPXUTSLBNVAFDX-UHFFFAOYSA-N 1 2 231.390 2.528 20 0 BFADLO Cc1nn(C[N@H+](C)CC(C)C)c(=S)s1 ZINC000065943733 632804159 /nfs/dbraw/zinc/80/41/59/632804159.db2.gz XPXUTSLBNVAFDX-UHFFFAOYSA-N 1 2 231.390 2.528 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000924543148 632796657 /nfs/dbraw/zinc/79/66/57/632796657.db2.gz PYQSNKCCFSCDOX-ZJUUUORDSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000310608083 632803741 /nfs/dbraw/zinc/80/37/41/632803741.db2.gz AWHPIAOTGBCYTG-SWLSCSKDSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000924548510 632811570 /nfs/dbraw/zinc/81/15/70/632811570.db2.gz GVQDCRMQLWYCBF-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO CC[C@H](COC)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892622903 633021937 /nfs/dbraw/zinc/02/19/37/633021937.db2.gz UYJXCHGBLSVKMZ-GFCCVEGCSA-N 1 2 249.358 2.889 20 0 BFADLO C[C@@H](O)CC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000925067976 635888286 /nfs/dbraw/zinc/88/82/86/635888286.db2.gz CHKHTTXTVPJGNG-GHMZBOCLSA-N 1 2 243.297 2.527 20 0 BFADLO CC1(c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)CC1 ZINC000924086973 633786825 /nfs/dbraw/zinc/78/68/25/633786825.db2.gz FKYQQGIBDMJMIL-LLVKDONJSA-N 1 2 247.342 2.811 20 0 BFADLO CC1(c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)CC1 ZINC000924086973 633786837 /nfs/dbraw/zinc/78/68/37/633786837.db2.gz FKYQQGIBDMJMIL-LLVKDONJSA-N 1 2 247.342 2.811 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000893122192 633842905 /nfs/dbraw/zinc/84/29/05/633842905.db2.gz VUOGDNWJSRMWHB-SDDRHHMPSA-N 1 2 246.358 2.533 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)[nH+]cn1 ZINC000893122192 633842907 /nfs/dbraw/zinc/84/29/07/633842907.db2.gz VUOGDNWJSRMWHB-SDDRHHMPSA-N 1 2 246.358 2.533 20 0 BFADLO CCOc1ccc(CNc2[nH+]cccc2OC)o1 ZINC000893266897 634012118 /nfs/dbraw/zinc/01/21/18/634012118.db2.gz RDMPYYBYJQUTIZ-UHFFFAOYSA-N 1 2 248.282 2.694 20 0 BFADLO CCC=C(C)C(=O)NNc1cc[nH+]cc1Cl ZINC000185255980 634040168 /nfs/dbraw/zinc/04/01/68/634040168.db2.gz ZUHUYDMCPINMFO-XBXARRHUSA-N 1 2 239.706 2.534 20 0 BFADLO CC(C)[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194974783 634343679 /nfs/dbraw/zinc/34/36/79/634343679.db2.gz RBFOJDNRCFYFAP-OCCSQVGLSA-N 1 2 249.354 2.877 20 0 BFADLO C[C@H](CC(=O)OC[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC000893630045 635341798 /nfs/dbraw/zinc/34/17/98/635341798.db2.gz OQTFAXJMBGSOGL-BZPMIXESSA-N 1 2 248.326 2.568 20 0 BFADLO C[C@@H](c1nc([C@@H](C)C(C)(C)C)no1)[NH+](C)C ZINC000350610270 636433537 /nfs/dbraw/zinc/43/35/37/636433537.db2.gz YKOIUHCRVSLPKE-BDAKNGLRSA-N 1 2 225.336 2.842 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)[C@@H]1CCSC1 ZINC000089938697 636914728 /nfs/dbraw/zinc/91/47/28/636914728.db2.gz PRRFBMDGCUGQLN-RBMBQVQZSA-N 1 2 226.172 2.743 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)[C@@H]1CCSC1 ZINC000089938697 636914730 /nfs/dbraw/zinc/91/47/30/636914730.db2.gz PRRFBMDGCUGQLN-RBMBQVQZSA-N 1 2 226.172 2.743 20 0 BFADLO CC(C)C[C@@H](c1nc(C2CC2)no1)n1cc[nH+]c1 ZINC000923802317 637020215 /nfs/dbraw/zinc/02/02/15/637020215.db2.gz WOMZCNOAAWCOPE-NSHDSACASA-N 1 2 246.314 2.779 20 0 BFADLO CC(C)C[C@H](c1nc(C2CC2)no1)n1cc[nH+]c1 ZINC000923802315 637020639 /nfs/dbraw/zinc/02/06/39/637020639.db2.gz WOMZCNOAAWCOPE-LLVKDONJSA-N 1 2 246.314 2.779 20 0 BFADLO c1[nH]cc([C@H]2C[C@@H]2c2nc(C3CCCC3)no2)[nH+]1 ZINC000923806011 637026478 /nfs/dbraw/zinc/02/64/78/637026478.db2.gz KZXRXBMPLMLOJT-UWVGGRQHSA-N 1 2 244.298 2.721 20 0 BFADLO C[C@H](c1nc([C@@H](C)C(C)(C)C)no1)[NH+](C)C ZINC000923901940 637077544 /nfs/dbraw/zinc/07/75/44/637077544.db2.gz YKOIUHCRVSLPKE-RKDXNWHRSA-N 1 2 225.336 2.842 20 0 BFADLO CCC/C=C/c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904262565 637392708 /nfs/dbraw/zinc/39/27/08/637392708.db2.gz IPEDOYZBRGXTHC-AATRIKPKSA-N 1 2 244.298 2.836 20 0 BFADLO CN(C)c1cc(-c2ccc3c(c2)CCO3)cc[nH+]1 ZINC000904848446 637504526 /nfs/dbraw/zinc/50/45/26/637504526.db2.gz DEGWAAUWFUAIAB-UHFFFAOYSA-N 1 2 240.306 2.750 20 0 BFADLO Cc1c(CO)cccc1-c1cc[nH+]c(N(C)C)c1 ZINC000904848860 637505328 /nfs/dbraw/zinc/50/53/28/637505328.db2.gz ITJYGLHTNKRFKS-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO c1[nH+]c2n(c1-c1ccc3c(c1)OCC3)CCCC2 ZINC000904900085 637525853 /nfs/dbraw/zinc/52/58/53/637525853.db2.gz WVXMGSOONOQPJT-UHFFFAOYSA-N 1 2 240.306 2.821 20 0 BFADLO Cc1ccc(C[S@@](=O)C/C=C\Cl)c(C)[nH+]1 ZINC000905196510 637673179 /nfs/dbraw/zinc/67/31/79/637673179.db2.gz ULDFOTFVJKHJAM-BYPUDFOVSA-N 1 2 243.759 2.700 20 0 BFADLO Cc1cn2cc(-c3cnn(C)c3C)cc(C)c2[nH+]1 ZINC000906169495 638082714 /nfs/dbraw/zinc/08/27/14/638082714.db2.gz WNDUOTKQTAQBSY-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)co1 ZINC000906177362 638089141 /nfs/dbraw/zinc/08/91/41/638089141.db2.gz DPUHZENGLRPBOF-UHFFFAOYSA-N 1 2 214.268 2.651 20 0 BFADLO Cc1c(F)nccc1-c1c[nH+]c2c(c1)CCCN2 ZINC000906181253 638091749 /nfs/dbraw/zinc/09/17/49/638091749.db2.gz HRLQVVNMJOLJAS-UHFFFAOYSA-N 1 2 243.285 2.592 20 0 BFADLO Cc1[nH+]cc(-c2cncc(OC(C)C)c2)n1C ZINC000906190296 638098971 /nfs/dbraw/zinc/09/89/71/638098971.db2.gz LYTCLGGWDGGZMZ-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccsc1 ZINC000906300029 638136220 /nfs/dbraw/zinc/13/62/20/638136220.db2.gz LZIORYJDBSMUGH-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000906581967 638217149 /nfs/dbraw/zinc/21/71/49/638217149.db2.gz JVYKHKVNQQIROF-TVQRCGJNSA-N 1 2 246.354 2.925 20 0 BFADLO CCCC[C@@H](C)N(C)C(=O)CNc1cccc[nH+]1 ZINC000908306062 638652452 /nfs/dbraw/zinc/65/24/52/638652452.db2.gz RAEXQQNIAWNRFA-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO CC/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908673238 639049698 /nfs/dbraw/zinc/04/96/98/639049698.db2.gz GXVAHXPTUZZQMG-SREVYHEPSA-N 1 2 232.327 2.703 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1ccsc1 ZINC000930348249 639718858 /nfs/dbraw/zinc/71/88/58/639718858.db2.gz OXSKUNIVQZRFHF-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ncccn1)c1ccsc1 ZINC000930348244 639719217 /nfs/dbraw/zinc/71/92/17/639719217.db2.gz OXSKUNIVQZRFHF-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1nnc(OC)s1 ZINC000930525459 639802713 /nfs/dbraw/zinc/80/27/13/639802713.db2.gz HJYAGGATNCGIKC-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1nnc(OC)s1 ZINC000930525459 639802717 /nfs/dbraw/zinc/80/27/17/639802717.db2.gz HJYAGGATNCGIKC-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO Cc1ccccc1CC[N@@H+](C)Cc1nncs1 ZINC000930599294 639816616 /nfs/dbraw/zinc/81/66/16/639816616.db2.gz WXULDNMMFGMJEL-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1ccccc1CC[N@H+](C)Cc1nncs1 ZINC000930599294 639816617 /nfs/dbraw/zinc/81/66/17/639816617.db2.gz WXULDNMMFGMJEL-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO c1nnc([C@@H]2CCC[N@H+]2CCCC2CCC2)[nH]1 ZINC000931141549 640075455 /nfs/dbraw/zinc/07/54/55/640075455.db2.gz FDNQFAXTPZJBBA-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO c1nnc([C@@H]2CCC[N@@H+]2CCCC2CCC2)[nH]1 ZINC000931141549 640075460 /nfs/dbraw/zinc/07/54/60/640075460.db2.gz FDNQFAXTPZJBBA-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141344 640076631 /nfs/dbraw/zinc/07/66/31/640076631.db2.gz WOJSAZDXFBKBLV-XQQFMLRXSA-N 1 2 248.374 2.768 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141344 640076633 /nfs/dbraw/zinc/07/66/33/640076633.db2.gz WOJSAZDXFBKBLV-XQQFMLRXSA-N 1 2 248.374 2.768 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)cs1 ZINC000932525805 640563571 /nfs/dbraw/zinc/56/35/71/640563571.db2.gz FFOAJBMSLJICFL-UHFFFAOYSA-N 1 2 232.352 2.874 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3C2)cs1 ZINC000932525805 640563575 /nfs/dbraw/zinc/56/35/75/640563575.db2.gz FFOAJBMSLJICFL-UHFFFAOYSA-N 1 2 232.352 2.874 20 0 BFADLO c1cc2n(c1)CC[N@@H+](Cc1ccsc1)C2 ZINC000932526294 640565771 /nfs/dbraw/zinc/56/57/71/640565771.db2.gz IVYZIKOIGWLQEH-UHFFFAOYSA-N 1 2 218.325 2.565 20 0 BFADLO c1cc2n(c1)CC[N@H+](Cc1ccsc1)C2 ZINC000932526294 640565773 /nfs/dbraw/zinc/56/57/73/640565773.db2.gz IVYZIKOIGWLQEH-UHFFFAOYSA-N 1 2 218.325 2.565 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCn2cccc2C1 ZINC000932527188 640567441 /nfs/dbraw/zinc/56/74/41/640567441.db2.gz ZEKPFMTVQVVVIG-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCn2cccc2C1 ZINC000932527188 640567449 /nfs/dbraw/zinc/56/74/49/640567449.db2.gz ZEKPFMTVQVVVIG-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(F)cc2C)o1 ZINC000932556760 640574748 /nfs/dbraw/zinc/57/47/48/640574748.db2.gz UIRIIRSYRZBKFM-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO CCC[NH2+][C@H](CCc1ccccc1)C(=O)OCC ZINC000061625439 640977708 /nfs/dbraw/zinc/97/77/08/640977708.db2.gz GFNXGDSGOFLUBP-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO C[C@@H](O)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000171830912 641015068 /nfs/dbraw/zinc/01/50/68/641015068.db2.gz AGHVKPXPIQIDMQ-LLVKDONJSA-N 1 2 228.295 2.747 20 0 BFADLO CCCCC1([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000934209453 641103126 /nfs/dbraw/zinc/10/31/26/641103126.db2.gz NYWFWEWTKOOFLA-UHFFFAOYSA-N 1 2 235.331 2.759 20 0 BFADLO CC(C)C1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000172956108 641136708 /nfs/dbraw/zinc/13/67/08/641136708.db2.gz CYHSNJFBEPJMDH-UHFFFAOYSA-N 1 2 241.766 2.862 20 0 BFADLO Clc1cc(C[NH+]2CCCC2)cc(Cl)n1 ZINC000064030389 641296983 /nfs/dbraw/zinc/29/69/83/641296983.db2.gz VABQZTDSXAJLMJ-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO CC(C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935042000 641322095 /nfs/dbraw/zinc/32/20/95/641322095.db2.gz UVRXXKUJGXLRCX-JTQLQIEISA-N 1 2 245.326 2.727 20 0 BFADLO CC1(CCC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000935759408 641475405 /nfs/dbraw/zinc/47/54/05/641475405.db2.gz JMINPNCJIRFCPP-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C=C/C=C\CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000914403833 641660205 /nfs/dbraw/zinc/66/02/05/641660205.db2.gz QNUHZQJUUOIZNC-SREVYHEPSA-N 1 2 244.338 2.869 20 0 BFADLO C=C/C=C/CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000914403834 641660808 /nfs/dbraw/zinc/66/08/08/641660808.db2.gz QNUHZQJUUOIZNC-VOTSOKGWSA-N 1 2 244.338 2.869 20 0 BFADLO C[C@H]1C[N@@H+](Cn2ncsc2=S)CC[C@@H]1C ZINC000159910543 641705000 /nfs/dbraw/zinc/70/50/00/641705000.db2.gz BRXUTKGVXKCQGB-IUCAKERBSA-N 1 2 243.401 2.609 20 0 BFADLO C[C@H]1C[N@H+](Cn2ncsc2=S)CC[C@@H]1C ZINC000159910543 641705005 /nfs/dbraw/zinc/70/50/05/641705005.db2.gz BRXUTKGVXKCQGB-IUCAKERBSA-N 1 2 243.401 2.609 20 0 BFADLO CC(C)C[C@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000766419886 641872846 /nfs/dbraw/zinc/87/28/46/641872846.db2.gz GDXCDUWNKQJOQF-AWEZNQCLSA-N 1 2 245.326 2.947 20 0 BFADLO Cc1cc(NC2CC2)nc(C2CCC2)[nH+]1 ZINC000891422119 711513895 /nfs/dbraw/zinc/51/38/95/711513895.db2.gz QSQMYXFODCUACT-UHFFFAOYSA-N 1 2 203.289 2.627 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)C[C@@H](C)OC ZINC000308209192 642505408 /nfs/dbraw/zinc/50/54/08/642505408.db2.gz FJKVXHXIKVPJJL-CPJBWDMUSA-N 1 2 226.147 2.662 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)C[C@@H](C)OC ZINC000308209192 642505417 /nfs/dbraw/zinc/50/54/17/642505417.db2.gz FJKVXHXIKVPJJL-CPJBWDMUSA-N 1 2 226.147 2.662 20 0 BFADLO C=C(C)C[N@@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000181045333 642834102 /nfs/dbraw/zinc/83/41/02/642834102.db2.gz XZZFCGQNILJYSY-UHFFFAOYSA-N 1 2 249.745 2.996 20 0 BFADLO C=C(C)C[N@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000181045333 642834105 /nfs/dbraw/zinc/83/41/05/642834105.db2.gz XZZFCGQNILJYSY-UHFFFAOYSA-N 1 2 249.745 2.996 20 0 BFADLO C=C(C)C[N@@H+](C)Cc1cccnc1Cl ZINC000181255846 642856712 /nfs/dbraw/zinc/85/67/12/642856712.db2.gz XVMAIGOWAVIMOB-UHFFFAOYSA-N 1 2 210.708 2.743 20 0 BFADLO C=C(C)C[N@H+](C)Cc1cccnc1Cl ZINC000181255846 642856713 /nfs/dbraw/zinc/85/67/13/642856713.db2.gz XVMAIGOWAVIMOB-UHFFFAOYSA-N 1 2 210.708 2.743 20 0 BFADLO CC(C)CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181972394 642933398 /nfs/dbraw/zinc/93/33/98/642933398.db2.gz JOMWCJIQBNMPKA-AWEZNQCLSA-N 1 2 249.354 2.879 20 0 BFADLO CC[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181984660 642938812 /nfs/dbraw/zinc/93/88/12/642938812.db2.gz NCFKULROTCCTFR-AAEUAGOBSA-N 1 2 235.327 2.631 20 0 BFADLO CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181984603 642939071 /nfs/dbraw/zinc/93/90/71/642939071.db2.gz NCFKULROTCCTFR-DGCLKSJQSA-N 1 2 235.327 2.631 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ncc[nH]1 ZINC000285963829 643089962 /nfs/dbraw/zinc/08/99/62/643089962.db2.gz FPQUSNIDBQJYBC-LLVKDONJSA-N 1 2 244.342 2.957 20 0 BFADLO CCCCOC(=O)C[N@H+](C)Cc1ccc(C)cc1 ZINC000049825654 643469912 /nfs/dbraw/zinc/46/99/12/643469912.db2.gz FEBBLVQMCFAPLI-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO CCCCOC(=O)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000049825654 643469917 /nfs/dbraw/zinc/46/99/17/643469917.db2.gz FEBBLVQMCFAPLI-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO C[C@@H]1CC[C@@H](CC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922525174 644014686 /nfs/dbraw/zinc/01/46/86/644014686.db2.gz PHHJUHXKMKGLMJ-GHMZBOCLSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CC[C@H](CC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922525180 644014896 /nfs/dbraw/zinc/01/48/96/644014896.db2.gz PHHJUHXKMKGLMJ-QWRGUYRKSA-N 1 2 248.326 2.533 20 0 BFADLO c1csc(C[NH2+][C@H](c2ccccn2)C2CC2)n1 ZINC000922585361 644036477 /nfs/dbraw/zinc/03/64/77/644036477.db2.gz FJSFYGAKGHHSAN-ZDUSSCGKSA-N 1 2 245.351 2.779 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)OCc1ccc[nH+]c1N ZINC000922623439 644043025 /nfs/dbraw/zinc/04/30/25/644043025.db2.gz HKMXJAWUUIHQPH-CSKARUKUSA-N 1 2 248.326 2.699 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)/C=C/Cl)no1 ZINC000922644986 644051385 /nfs/dbraw/zinc/05/13/85/644051385.db2.gz NJMPYKAJQFBDLR-SNAWJCMRSA-N 1 2 214.696 2.604 20 0 BFADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000922667149 644063291 /nfs/dbraw/zinc/06/32/91/644063291.db2.gz IXARPDXFHZWGOX-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO CCCC[C@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922704016 644072124 /nfs/dbraw/zinc/07/21/24/644072124.db2.gz BQCCJZBVUFSNDY-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@@H](C)CCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922724881 644078227 /nfs/dbraw/zinc/07/82/27/644078227.db2.gz COEWKESAFQHOAJ-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922772614 644092660 /nfs/dbraw/zinc/09/26/60/644092660.db2.gz FIMHSHCJFJZAHH-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCC[C@@]1(C)C(=O)OCc1ccc[nH+]c1N ZINC000922771068 644092760 /nfs/dbraw/zinc/09/27/60/644092760.db2.gz WPVGMMCOGIQRPD-QMTHXVAHSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922808538 644101232 /nfs/dbraw/zinc/10/12/32/644101232.db2.gz ALWXNKXTTVQVIJ-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194974803 644355476 /nfs/dbraw/zinc/35/54/76/644355476.db2.gz RBFOJDNRCFYFAP-JSGCOSHPSA-N 1 2 249.354 2.877 20 0 BFADLO O=C(Nc1ccccc1)c1cccc2[nH+]ccn21 ZINC000082320634 644367756 /nfs/dbraw/zinc/36/77/56/644367756.db2.gz ZRSSFWPZMKGMFT-UHFFFAOYSA-N 1 2 237.262 2.587 20 0 BFADLO CC(C)CCO[NH+]=C(N)c1ccc(F)cc1 ZINC000085260183 644438586 /nfs/dbraw/zinc/43/85/86/644438586.db2.gz BKIQVXRBDNJKHH-UHFFFAOYSA-N 1 2 224.279 2.509 20 0 BFADLO CSCCCO[NH+]=C(N)c1ccccc1C ZINC000742348510 644565433 /nfs/dbraw/zinc/56/54/33/644565433.db2.gz IDTFOVQFJUEWIH-UHFFFAOYSA-N 1 2 238.356 2.595 20 0 BFADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccoc1 ZINC000091931269 644644449 /nfs/dbraw/zinc/64/44/49/644644449.db2.gz ZBTILCXZHSIRRM-UHFFFAOYSA-N 1 2 238.718 2.904 20 0 BFADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccoc1 ZINC000091931269 644644453 /nfs/dbraw/zinc/64/44/53/644644453.db2.gz ZBTILCXZHSIRRM-UHFFFAOYSA-N 1 2 238.718 2.904 20 0 BFADLO CCOC[C@@H]([NH2+]CC(F)(F)C(F)F)C(C)C ZINC000304617240 644919973 /nfs/dbraw/zinc/91/99/73/644919973.db2.gz XLJZUPQFQWBKMW-MRVPVSSYSA-N 1 2 245.260 2.538 20 0 BFADLO CC/C(C)=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458788 644983333 /nfs/dbraw/zinc/98/33/33/644983333.db2.gz KXGCCIQABWHLGT-POHAHGRESA-N 1 2 232.327 2.671 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2c(C)noc2C)o1 ZINC000926538212 645264255 /nfs/dbraw/zinc/26/42/55/645264255.db2.gz RLDUCCREEGUIOH-QMMMGPOBSA-N 1 2 249.314 2.693 20 0 BFADLO Cc1ccccc1OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844267765 645319989 /nfs/dbraw/zinc/31/99/89/645319989.db2.gz BKCQMIXGOLFWLV-LBPRGKRZSA-N 1 2 244.294 2.748 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ncco1 ZINC000926713675 645378347 /nfs/dbraw/zinc/37/83/47/645378347.db2.gz IQVRIWDMBFBCRS-ZANVPECISA-N 1 2 244.294 2.718 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1nn(C)cc1C ZINC000929134760 645963287 /nfs/dbraw/zinc/96/32/87/645963287.db2.gz DWJWSVRCPPDWEO-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1nn(C)cc1C ZINC000929134760 645963293 /nfs/dbraw/zinc/96/32/93/645963293.db2.gz DWJWSVRCPPDWEO-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO C[C@H](c1nc(C(C)(C)C2CCC2)no1)[NH+](C)C ZINC000924091257 645978908 /nfs/dbraw/zinc/97/89/08/645978908.db2.gz TZNIBUBHPREMGP-SECBINFHSA-N 1 2 237.347 2.770 20 0 BFADLO C[C@H](c1nc(C2C(C)(C)C2(C)C)no1)[NH+](C)C ZINC000924145714 645995570 /nfs/dbraw/zinc/99/55/70/645995570.db2.gz JUFDHRCURUWLNH-MRVPVSSYSA-N 1 2 237.347 2.842 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000929213679 646007984 /nfs/dbraw/zinc/00/79/84/646007984.db2.gz OYZCJJHEJQAWBS-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000929213679 646007987 /nfs/dbraw/zinc/00/79/87/646007987.db2.gz OYZCJJHEJQAWBS-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929232959 646025269 /nfs/dbraw/zinc/02/52/69/646025269.db2.gz AXUSSGAJIAECOH-JTQLQIEISA-N 1 2 243.310 2.578 20 0 BFADLO Cc1cc(CN(C)Cc2cc(C)cc(C)[nH+]2)no1 ZINC000929259017 646043859 /nfs/dbraw/zinc/04/38/59/646043859.db2.gz NDJRCCRVKHZWOZ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C)C2CC2)c1F ZINC000929274673 646054935 /nfs/dbraw/zinc/05/49/35/646054935.db2.gz IRHBBRLHFZBXMA-UHFFFAOYSA-N 1 2 211.255 2.867 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C)C2CC2)c1F ZINC000929274673 646054939 /nfs/dbraw/zinc/05/49/39/646054939.db2.gz IRHBBRLHFZBXMA-UHFFFAOYSA-N 1 2 211.255 2.867 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000924548470 646064677 /nfs/dbraw/zinc/06/46/77/646064677.db2.gz FZSVKYAEBWXZTE-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc(C[NH+]2Cc3ccccc3C2)c(C)nn1 ZINC000929584821 646185473 /nfs/dbraw/zinc/18/54/73/646185473.db2.gz YZQLXYINMWSRAJ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CCc1ccccc1C[NH2+][C@@H](C)c1nonc1C ZINC000925110753 646186046 /nfs/dbraw/zinc/18/60/46/646186046.db2.gz CQFGFUMXENBMID-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1nonc1C)c1ccncc1 ZINC000925131535 646192579 /nfs/dbraw/zinc/19/25/79/646192579.db2.gz TZYNHLVCBKIMNH-SKDRFNHKSA-N 1 2 246.314 2.575 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1nonc1C)c1ccncc1 ZINC000925131533 646193655 /nfs/dbraw/zinc/19/36/55/646193655.db2.gz TZYNHLVCBKIMNH-CABZTGNLSA-N 1 2 246.314 2.575 20 0 BFADLO CC(C)c1nsc(C[N@H+](C)C2CCC2)n1 ZINC000929719842 646270786 /nfs/dbraw/zinc/27/07/86/646270786.db2.gz IPEGIDUXNFKAST-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1nsc(C[N@@H+](C)C2CCC2)n1 ZINC000929719842 646270791 /nfs/dbraw/zinc/27/07/91/646270791.db2.gz IPEGIDUXNFKAST-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC[C@@]1(C)CCC[N@H+](Cc2nncs2)C1 ZINC000929749610 646280421 /nfs/dbraw/zinc/28/04/21/646280421.db2.gz PZEZHVVLLQZNDN-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+](Cc2nncs2)C1 ZINC000929749610 646280427 /nfs/dbraw/zinc/28/04/27/646280427.db2.gz PZEZHVVLLQZNDN-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2cccc(C)c21 ZINC000925460092 646286988 /nfs/dbraw/zinc/28/69/88/646286988.db2.gz JMPZIZRXCFVJAD-AWEZNQCLSA-N 1 2 241.338 2.804 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CCC[C@H]2C)n1 ZINC000929756433 646289372 /nfs/dbraw/zinc/28/93/72/646289372.db2.gz YROLSYSTGQYHEP-SECBINFHSA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CCC[C@H]2C)n1 ZINC000929756433 646289377 /nfs/dbraw/zinc/28/93/77/646289377.db2.gz YROLSYSTGQYHEP-SECBINFHSA-N 1 2 225.361 2.646 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000929785682 646314885 /nfs/dbraw/zinc/31/48/85/646314885.db2.gz AVCRRYHGUFAXNH-JSGCOSHPSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CC[C@H]1c1ccccc1 ZINC000929785682 646314887 /nfs/dbraw/zinc/31/48/87/646314887.db2.gz AVCRRYHGUFAXNH-JSGCOSHPSA-N 1 2 239.322 2.985 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ncco1 ZINC000925646465 646386030 /nfs/dbraw/zinc/38/60/30/646386030.db2.gz VDKBQPSGNAKNLS-ZWNOBZJWSA-N 1 2 243.310 2.872 20 0 BFADLO c1ccc(N[C@H]2CCOC23CCCCC3)[nH+]c1 ZINC000925720686 646446642 /nfs/dbraw/zinc/44/66/42/646446642.db2.gz ZUDVEVSUJSDXRV-LBPRGKRZSA-N 1 2 232.327 2.985 20 0 BFADLO CC(C)CC/[NH+]=C/c1cccc(O)c1O ZINC000060802680 711835624 /nfs/dbraw/zinc/83/56/24/711835624.db2.gz YIQTZQQIDXBSTI-MDWZMJQESA-N 1 2 207.273 2.563 20 0 BFADLO CCc1cc(N2CCCCC2)nc(CC)[nH+]1 ZINC000139469529 711897235 /nfs/dbraw/zinc/89/72/35/711897235.db2.gz FXRHRSLPZAZIIB-UHFFFAOYSA-N 1 2 219.332 2.592 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(C(F)F)cc1 ZINC000386356506 711028021 /nfs/dbraw/zinc/02/80/21/711028021.db2.gz VJKYUCNXULPYDC-UHFFFAOYSA-N 1 2 237.253 2.970 20 0 BFADLO CC[C@@H]([NH2+]Cc1cocn1)c1ccccc1OC ZINC000395151072 711203207 /nfs/dbraw/zinc/20/32/07/711203207.db2.gz MBHWBPCSMAOSDD-CYBMUJFWSA-N 1 2 246.310 2.924 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000126260925 711502328 /nfs/dbraw/zinc/50/23/28/711502328.db2.gz DMUFGXLFKSIUOC-SECBINFHSA-N 1 2 243.401 2.754 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000126260925 711502329 /nfs/dbraw/zinc/50/23/29/711502329.db2.gz DMUFGXLFKSIUOC-SECBINFHSA-N 1 2 243.401 2.754 20 0 BFADLO c1ccc(N[C@@H](C2CC2)[C@H]2CCCOC2)[nH+]c1 ZINC000723868282 711540271 /nfs/dbraw/zinc/54/02/71/711540271.db2.gz DWBMMPJBMNUILO-JSGCOSHPSA-N 1 2 232.327 2.699 20 0 BFADLO CC(C)(C)c1coc(C[NH2+]C2CC(F)(F)C2)n1 ZINC000724433282 711579944 /nfs/dbraw/zinc/57/99/44/711579944.db2.gz HCGXAYUEZGAHHE-UHFFFAOYSA-N 1 2 244.285 2.859 20 0 BFADLO Cc1cc(C[NH2+]Cc2c[nH]cn2)ccc1Cl ZINC000134989308 711582738 /nfs/dbraw/zinc/58/27/38/711582738.db2.gz LOKMKCQJFYABIQ-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO Cc1csc(C[NH2+]Cc2ccccc2F)n1 ZINC000037988415 711755350 /nfs/dbraw/zinc/75/53/50/711755350.db2.gz UMAVYPHQLBBYLG-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO Cc1cc(NC(=O)C2(C3CC3)CCC2)c(C)c[nH+]1 ZINC000907088532 711815123 /nfs/dbraw/zinc/81/51/23/711815123.db2.gz SEARHYMSLCLBMO-UHFFFAOYSA-N 1 2 244.338 2.639 20 0 BFADLO CCC(C)(CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922612791 711974533 /nfs/dbraw/zinc/97/45/33/711974533.db2.gz GLPKPTDNUQPNQP-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CCCNc1cc(N2C[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000706941074 712162210 /nfs/dbraw/zinc/16/22/10/712162210.db2.gz RYUMOMKZZIYYDP-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO CCCNc1cc(N2C[C@@H]3CCCC[C@@H]32)[nH+]cn1 ZINC000706941074 712162211 /nfs/dbraw/zinc/16/22/11/712162211.db2.gz RYUMOMKZZIYYDP-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO Clc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000707005072 712163697 /nfs/dbraw/zinc/16/36/97/712163697.db2.gz VEEOVTPBIGEXLZ-XCBNKYQSSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccc(Cl)c(C[N@H+]2CC[C@@H]3C[C@@H]32)n1 ZINC000707005072 712163699 /nfs/dbraw/zinc/16/36/99/712163699.db2.gz VEEOVTPBIGEXLZ-XCBNKYQSSA-N 1 2 243.137 2.983 20 0 BFADLO COc1cc(C)ccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000708983202 712205024 /nfs/dbraw/zinc/20/50/24/712205024.db2.gz ZQQHBMBXGDKICV-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO COCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000709065575 712206438 /nfs/dbraw/zinc/20/64/38/712206438.db2.gz FFPCXBMFKZDQGP-UHFFFAOYSA-N 1 2 245.326 2.785 20 0 BFADLO Cc1nnsc1CNc1ccc([NH+](C)C)cc1 ZINC000380217596 712827307 /nfs/dbraw/zinc/82/73/07/712827307.db2.gz VJZYVHWNFNYZJY-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1conc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000720362573 712835573 /nfs/dbraw/zinc/83/55/73/712835573.db2.gz LVRJIOTWPCDTCN-SNVBAGLBSA-N 1 2 232.283 2.539 20 0 BFADLO CC1(CNc2cccc[nH+]2)CC(F)(F)C1 ZINC000720976715 712884820 /nfs/dbraw/zinc/88/48/20/712884820.db2.gz KSMCIJDQXCKWEI-UHFFFAOYSA-N 1 2 212.243 2.929 20 0 BFADLO FC(F)(F)Oc1ccccc1C[NH+]1CCC1 ZINC001204423528 957083692 /nfs/dbraw/zinc/08/36/92/957083692.db2.gz GESFENGAZHBPAQ-UHFFFAOYSA-N 1 2 231.217 2.791 20 0 BFADLO CC1C[NH+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207111720 958045033 /nfs/dbraw/zinc/04/50/33/958045033.db2.gz NUAFZWVIPVCGPH-UHFFFAOYSA-N 1 2 245.244 2.879 20 0 BFADLO CCc1cccc(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218006952 959828745 /nfs/dbraw/zinc/82/87/45/959828745.db2.gz PNJBITYLTPGFKR-LBPRGKRZSA-N 1 2 241.281 2.625 20 0 BFADLO COc1cc(F)c(C[N@H+](C)C2CC2)c(F)c1 ZINC001140823496 960610932 /nfs/dbraw/zinc/61/09/32/960610932.db2.gz KFQDFLLILVRRPM-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(C[N@@H+](C)C2CC2)c(F)c1 ZINC001140823496 960610943 /nfs/dbraw/zinc/61/09/43/960610943.db2.gz KFQDFLLILVRRPM-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)n[nH]1 ZINC001203070177 960625584 /nfs/dbraw/zinc/62/55/84/960625584.db2.gz JQRBJCJZQVAIEL-VIFPVBQESA-N 1 2 243.301 2.585 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)n[nH]1 ZINC001203070177 960625599 /nfs/dbraw/zinc/62/55/99/960625599.db2.gz JQRBJCJZQVAIEL-VIFPVBQESA-N 1 2 243.301 2.585 20 0 BFADLO COc1c(F)cccc1C[N@@H+]1CCC[C@@H]1CF ZINC001143534305 961794028 /nfs/dbraw/zinc/79/40/28/961794028.db2.gz PMDSOJZNNNHDNF-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1c(F)cccc1C[N@H+]1CCC[C@@H]1CF ZINC001143534305 961794042 /nfs/dbraw/zinc/79/40/42/961794042.db2.gz PMDSOJZNNNHDNF-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCCN(CCC)c1nc(C)[nH+]c2c1CCC2 ZINC001155182071 963007768 /nfs/dbraw/zinc/00/77/68/963007768.db2.gz GETUHJKTZSLWOD-UHFFFAOYSA-N 1 2 233.359 2.900 20 0 BFADLO C[Si](C)(C)c1ccc[nH+]c1NCC(F)(F)F ZINC001161625384 964651491 /nfs/dbraw/zinc/65/14/91/964651491.db2.gz JFBXJIFPTWFIKJ-UHFFFAOYSA-N 1 2 248.324 2.601 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC001232283301 965323085 /nfs/dbraw/zinc/32/30/85/965323085.db2.gz WKMDDMJMRWFXQA-NSHDSACASA-N 1 2 243.759 2.955 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cs1 ZINC001232283301 965323099 /nfs/dbraw/zinc/32/30/99/965323099.db2.gz WKMDDMJMRWFXQA-NSHDSACASA-N 1 2 243.759 2.955 20 0 BFADLO CCN(c1[nH+]c(C)cc(Cl)c1C)C1COC1 ZINC001166942297 966465491 /nfs/dbraw/zinc/46/54/91/966465491.db2.gz MHBWFIWHSBEZES-UHFFFAOYSA-N 1 2 240.734 2.577 20 0 BFADLO Cc1coc(C[N@H+]2CCCC[C@](C)(F)C2)n1 ZINC001237634269 966676491 /nfs/dbraw/zinc/67/64/91/966676491.db2.gz DPCYVVQGNZPGHO-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO CSc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250319496 967695401 /nfs/dbraw/zinc/69/54/01/967695401.db2.gz SCTSAOQDTOHAKA-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO Cc1cc(CC(C)C)[nH+]cc1NCC(C)(C)O ZINC001252349220 968629474 /nfs/dbraw/zinc/62/94/74/968629474.db2.gz YQNBGEWYGHDHPY-UHFFFAOYSA-N 1 2 236.359 2.771 20 0 BFADLO CC1=CC[C@@H](CC[N@@H+]2CCC(=O)C2)C1(C)C ZINC001207280206 968710501 /nfs/dbraw/zinc/71/05/01/968710501.db2.gz PZOBGXZINXJDSE-LBPRGKRZSA-N 1 2 221.344 2.644 20 0 BFADLO CC1=CC[C@@H](CC[N@H+]2CCC(=O)C2)C1(C)C ZINC001207280206 968710508 /nfs/dbraw/zinc/71/05/08/968710508.db2.gz PZOBGXZINXJDSE-LBPRGKRZSA-N 1 2 221.344 2.644 20 0 BFADLO Clc1ncc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)s1 ZINC001209471590 969521573 /nfs/dbraw/zinc/52/15/73/969521573.db2.gz BMNLLBAONOAIDY-APPZFPTMSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1ncc(C[N@H+]2CCC[C@@H]3C[C@@H]32)s1 ZINC001209471590 969521582 /nfs/dbraw/zinc/52/15/82/969521582.db2.gz BMNLLBAONOAIDY-APPZFPTMSA-N 1 2 228.748 2.781 20 0 BFADLO C[C@@H](CC(F)(F)F)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001255654195 970431467 /nfs/dbraw/zinc/43/14/67/970431467.db2.gz ANSKLEOHXFLVIL-QMMMGPOBSA-N 1 2 237.265 2.628 20 0 BFADLO C[C@@H](CC(F)(F)F)[N@H+]1CCC(=O)C(C)(C)C1 ZINC001255654195 970431476 /nfs/dbraw/zinc/43/14/76/970431476.db2.gz ANSKLEOHXFLVIL-QMMMGPOBSA-N 1 2 237.265 2.628 20 0 BFADLO CC[C@@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001173273712 975152129 /nfs/dbraw/zinc/15/21/29/975152129.db2.gz OHVZLZVSPKALSF-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001173273712 975152134 /nfs/dbraw/zinc/15/21/34/975152134.db2.gz OHVZLZVSPKALSF-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1CCOC[C@@H]1C ZINC001227261541 975340189 /nfs/dbraw/zinc/34/01/89/975340189.db2.gz BUYAEYPNFAAFOH-JQWIXIFHSA-N 1 2 221.300 2.502 20 0 BFADLO C=CNc1ccc2[nH+]cc(Br)n2c1 ZINC001174780922 976994590 /nfs/dbraw/zinc/99/45/90/976994590.db2.gz HOJOVSNMFFEIGC-UHFFFAOYSA-N 1 2 238.088 2.652 20 0 BFADLO Cc1c(F)ccc(C[NH+]2CCSCC2)c1F ZINC001231476763 977601525 /nfs/dbraw/zinc/60/15/25/977601525.db2.gz UETXQLQLPLDEAV-UHFFFAOYSA-N 1 2 243.322 2.822 20 0 BFADLO CC(C)(C)c1csc(Nc2[nH]cc[nH+]2)n1 ZINC001176078992 977873691 /nfs/dbraw/zinc/87/36/91/977873691.db2.gz BOHFOIJMXOKMOI-UHFFFAOYSA-N 1 2 222.317 2.907 20 0 BFADLO C[N@H+](CCF)Cc1cccc(C(F)(F)F)n1 ZINC001232072660 977882819 /nfs/dbraw/zinc/88/28/19/977882819.db2.gz CAOIYTDUMXMNAB-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1cccc(C(F)(F)F)n1 ZINC001232072660 977882820 /nfs/dbraw/zinc/88/28/20/977882820.db2.gz CAOIYTDUMXMNAB-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970287 978376936 /nfs/dbraw/zinc/37/69/36/978376936.db2.gz IVYZBXDSFMLLMJ-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970287 978376943 /nfs/dbraw/zinc/37/69/43/978376943.db2.gz IVYZBXDSFMLLMJ-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1-c1ncco1 ZINC001243473629 970764351 /nfs/dbraw/zinc/76/43/51/970764351.db2.gz DBWDIVDRTFCYBW-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CCCC[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233033736 978420565 /nfs/dbraw/zinc/42/05/65/978420565.db2.gz VKTHOKFEFLELRG-UHFFFAOYSA-N 1 2 228.723 2.673 20 0 BFADLO CCCC[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233033736 978420570 /nfs/dbraw/zinc/42/05/70/978420570.db2.gz VKTHOKFEFLELRG-UHFFFAOYSA-N 1 2 228.723 2.673 20 0 BFADLO COCCNc1cc(C)c2ccccc2[nH+]1 ZINC000067949409 978426402 /nfs/dbraw/zinc/42/64/02/978426402.db2.gz CVZUVRASDUZWLL-UHFFFAOYSA-N 1 2 216.284 2.602 20 0 BFADLO CC(=O)C1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC001233316539 978543212 /nfs/dbraw/zinc/54/32/12/978543212.db2.gz NAJPMTXZCCTKRN-UHFFFAOYSA-N 1 2 241.718 2.734 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1c(Cl)ncnc1Cl ZINC001233407037 978600011 /nfs/dbraw/zinc/60/00/11/978600011.db2.gz ORSIMJFYDFADED-ZETCQYMHSA-N 1 2 246.141 2.768 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1c(Cl)ncnc1Cl ZINC001233407037 978600017 /nfs/dbraw/zinc/60/00/17/978600017.db2.gz ORSIMJFYDFADED-ZETCQYMHSA-N 1 2 246.141 2.768 20 0 BFADLO CC[NH+]1CC(Oc2cccc(OC(C)C)c2)C1 ZINC001234289096 978815061 /nfs/dbraw/zinc/81/50/61/978815061.db2.gz WYHBSGZPGVFNSR-UHFFFAOYSA-N 1 2 235.327 2.557 20 0 BFADLO Cc1ccc(OC2C[NH+](C)C2)c(C)c1Cl ZINC001234939345 978934742 /nfs/dbraw/zinc/93/47/42/978934742.db2.gz GDKBQVHUHWDOFK-UHFFFAOYSA-N 1 2 225.719 2.650 20 0 BFADLO Fc1ccc(C[NH+]2CC=CC2)cc1Cl ZINC001204282102 978948445 /nfs/dbraw/zinc/94/84/45/978948445.db2.gz NMNRCDYLWLPKBW-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cn2)CC1 ZINC001235415960 979041847 /nfs/dbraw/zinc/04/18/47/979041847.db2.gz GXQIUSRRKHOVAL-SNVBAGLBSA-N 1 2 239.750 2.752 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)CC1 ZINC001235415960 979041853 /nfs/dbraw/zinc/04/18/53/979041853.db2.gz GXQIUSRRKHOVAL-SNVBAGLBSA-N 1 2 239.750 2.752 20 0 BFADLO CCCC[C@H](CC)Cc1nnc(C[NH+](C)C)o1 ZINC001345940664 980714655 /nfs/dbraw/zinc/71/46/55/980714655.db2.gz DXENEXUMYNKFNN-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC001347814283 981183878 /nfs/dbraw/zinc/18/38/78/981183878.db2.gz ZFFBRCMCSHAUBQ-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC001347814283 981183880 /nfs/dbraw/zinc/18/38/80/981183880.db2.gz ZFFBRCMCSHAUBQ-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC001348172707 981303641 /nfs/dbraw/zinc/30/36/41/981303641.db2.gz RZHWFTLCXFKGEA-KOLCDFICSA-N 1 2 206.264 2.518 20 0 BFADLO C[C@@H]1CCCC[C@@H]1Cc1nnc(C[NH+](C)C)o1 ZINC001349948226 981822858 /nfs/dbraw/zinc/82/28/58/981822858.db2.gz WVEXZWKKAZELMJ-GHMZBOCLSA-N 1 2 237.347 2.500 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)cc(O)cc1F ZINC001241120989 982244175 /nfs/dbraw/zinc/24/41/75/982244175.db2.gz WTKLLWBFRGZSRN-JKEDICHKSA-N 1 2 211.211 2.546 20 0 BFADLO CCOCC[C@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001172423435 974696719 /nfs/dbraw/zinc/69/67/19/974696719.db2.gz MIQRNKDVJVALRO-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCOCC[C@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001172423435 974696723 /nfs/dbraw/zinc/69/67/23/974696723.db2.gz MIQRNKDVJVALRO-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)CC[C@H]1CCCC[N@H+]1Cc1nnc[nH]1 ZINC001327556044 972636736 /nfs/dbraw/zinc/63/67/36/972636736.db2.gz VZDCMMMXVNMPQW-GFCCVEGCSA-N 1 2 236.363 2.595 20 0 BFADLO CO[C@@H](C)CCOCc1cc(C)[nH+]c(C)c1 ZINC001223422533 973062684 /nfs/dbraw/zinc/06/26/84/973062684.db2.gz XBSBXJJVPPULBR-LBPRGKRZSA-N 1 2 223.316 2.640 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)CCC(C)C)no1 ZINC001256364267 970769285 /nfs/dbraw/zinc/76/92/85/970769285.db2.gz RIJIEZXHGWVWJR-JTQLQIEISA-N 1 2 225.336 2.635 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)CCC(C)C)no1 ZINC001256364267 970769303 /nfs/dbraw/zinc/76/93/03/970769303.db2.gz RIJIEZXHGWVWJR-JTQLQIEISA-N 1 2 225.336 2.635 20 0 BFADLO Nc1[nH+]cccc1-c1cc2[nH]ccc2c(F)c1 ZINC001243475556 970777604 /nfs/dbraw/zinc/77/76/04/970777604.db2.gz KXQVKKQGPUOIKY-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Fc1ccc(Br)c(C[NH+]2CCC2)c1 ZINC000306390363 970901995 /nfs/dbraw/zinc/90/19/95/970901995.db2.gz YLAKOWRWDVOTDG-UHFFFAOYSA-N 1 2 244.107 2.794 20 0 BFADLO Cc1cc(C)c(N)c(N(C)c2[nH+]cccc2N)c1 ZINC001216096306 970937198 /nfs/dbraw/zinc/93/71/98/970937198.db2.gz VZHFUDGPLHQUBF-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(F)c1C ZINC001216191360 970972164 /nfs/dbraw/zinc/97/21/64/970972164.db2.gz PSHVQISCJDFFIY-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc(CO)cc(Nc2[nH+]cccc2C)c1 ZINC001216196694 970982276 /nfs/dbraw/zinc/98/22/76/970982276.db2.gz GJSSPVCJNCURAC-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1ncc(Nc2ccc(C)[nH+]c2C)cc1O ZINC001216205341 970984914 /nfs/dbraw/zinc/98/49/14/970984914.db2.gz LKLNUAYHEBTFLL-UHFFFAOYSA-N 1 2 245.282 2.551 20 0 BFADLO OCCc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001243849502 970997172 /nfs/dbraw/zinc/99/71/72/970997172.db2.gz QTHJOGOXZLBYNA-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO CCC1CCC([N@@H+]2CCOCC(F)(F)C2)CC1 ZINC001256870409 971008142 /nfs/dbraw/zinc/00/81/42/971008142.db2.gz AJKIEANFXWZOSC-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CCC1CCC([N@H+]2CCOCC(F)(F)C2)CC1 ZINC001256870409 971008152 /nfs/dbraw/zinc/00/81/52/971008152.db2.gz AJKIEANFXWZOSC-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1ccc(O)c(Nc2cccc(O)c2C)[nH+]1 ZINC001216318964 971030735 /nfs/dbraw/zinc/03/07/35/971030735.db2.gz JQIXXAHBGMLUHZ-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO COc1cnc(F)c(Nc2ccc(C)[nH+]c2C)c1 ZINC001216404736 971080721 /nfs/dbraw/zinc/08/07/21/971080721.db2.gz RSIGFYHNURFDHM-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Nc1ccc[nH+]c1Nc1cccc(Cl)c1N ZINC001216525374 971119057 /nfs/dbraw/zinc/11/90/57/971119057.db2.gz PZSUCSSATVMUHN-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO CCOc1cc(Nc2cc(C)cc[nH+]2)ccn1 ZINC001216622009 971141795 /nfs/dbraw/zinc/14/17/95/971141795.db2.gz URFBQKAENZEGET-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO Cc1c[nH+]cc(NCc2nccc(Cl)n2)c1C ZINC001170546381 971147886 /nfs/dbraw/zinc/14/78/86/971147886.db2.gz IZKAJCKRBLNBBZ-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCC[C@H](C)[NH2+]CC(=O)OCc1ccccc1 ZINC001257307444 971196343 /nfs/dbraw/zinc/19/63/43/971196343.db2.gz MLNGMLQHIXVKST-LBPRGKRZSA-N 1 2 235.327 2.508 20 0 BFADLO CCCCCCOC(=O)C[NH2+][C@@H](C)CCC ZINC001257310257 971201620 /nfs/dbraw/zinc/20/16/20/971201620.db2.gz AIEWRTVPGHPUOW-LBPRGKRZSA-N 1 2 229.364 2.888 20 0 BFADLO Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(N)c1 ZINC001244393401 971235373 /nfs/dbraw/zinc/23/53/73/971235373.db2.gz BQPSKPQRKBVFII-UHFFFAOYSA-N 1 2 239.322 2.640 20 0 BFADLO FC[C@@H]1CC[N@@H+](C2CCCC2)CC1(F)F ZINC001257350478 971263482 /nfs/dbraw/zinc/26/34/82/971263482.db2.gz KSIUHQGIRUERFM-VIFPVBQESA-N 1 2 221.266 2.856 20 0 BFADLO FC[C@@H]1CC[N@H+](C2CCCC2)CC1(F)F ZINC001257350478 971263492 /nfs/dbraw/zinc/26/34/92/971263492.db2.gz KSIUHQGIRUERFM-VIFPVBQESA-N 1 2 221.266 2.856 20 0 BFADLO CCCCCC[C@@H](C)[NH2+]CC(=O)OCCC ZINC001257359794 971276127 /nfs/dbraw/zinc/27/61/27/971276127.db2.gz WMLUGWOJHOMNDH-GFCCVEGCSA-N 1 2 229.364 2.888 20 0 BFADLO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485467 971408864 /nfs/dbraw/zinc/40/88/64/971408864.db2.gz MRUWDZOUJPKTBL-NDBYEHHHSA-N 1 2 239.359 2.591 20 0 BFADLO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485467 971408872 /nfs/dbraw/zinc/40/88/72/971408872.db2.gz MRUWDZOUJPKTBL-NDBYEHHHSA-N 1 2 239.359 2.591 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001257512223 971434381 /nfs/dbraw/zinc/43/43/81/971434381.db2.gz LPEXORKDABBDQR-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001257512223 971434395 /nfs/dbraw/zinc/43/43/95/971434395.db2.gz LPEXORKDABBDQR-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCCC2)o1 ZINC001257525107 971445865 /nfs/dbraw/zinc/44/58/65/971445865.db2.gz QWLHDPXFHSMCTI-LLVKDONJSA-N 1 2 235.331 2.884 20 0 BFADLO C[N@H+]1CCCC[C@@H]1c1nnc(C2CCCC2)o1 ZINC001257525107 971445867 /nfs/dbraw/zinc/44/58/67/971445867.db2.gz QWLHDPXFHSMCTI-LLVKDONJSA-N 1 2 235.331 2.884 20 0 BFADLO Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC001218004488 971568837 /nfs/dbraw/zinc/56/88/37/971568837.db2.gz ALRMSDQACPAFMS-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO Sc1ccccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090648 971597048 /nfs/dbraw/zinc/59/70/48/971597048.db2.gz BXHIEDMJUZERLR-UONOGXRCSA-N 1 2 249.379 2.886 20 0 BFADLO C[NH+](C)Cc1c(F)ccc(F)c1Cl ZINC001137999698 971693108 /nfs/dbraw/zinc/69/31/08/971693108.db2.gz UMBGVOYGTNUXNW-UHFFFAOYSA-N 1 2 205.635 2.680 20 0 BFADLO CCC=CNc1nc(NC2CC2)cc(C)[nH+]1 ZINC001170763910 971750359 /nfs/dbraw/zinc/75/03/59/971750359.db2.gz OKWRVJGXEOWBAU-QPJJXVBHSA-N 1 2 218.304 2.695 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218461663 971824787 /nfs/dbraw/zinc/82/47/87/971824787.db2.gz SRUWDVMLALBWRC-ZKYQVNSYSA-N 1 2 249.379 2.661 20 0 BFADLO c1ccc(OCNc2cccc[nH+]2)cc1 ZINC001170803199 971850694 /nfs/dbraw/zinc/85/06/94/971850694.db2.gz NINIBLVOVPBHPY-UHFFFAOYSA-N 1 2 200.241 2.530 20 0 BFADLO Cc1cc(-c2cnc3ccoc3c2)c[nH+]c1N ZINC001245538200 971851644 /nfs/dbraw/zinc/85/16/44/971851644.db2.gz YNIVOBJPPFAVRC-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330944 974594370 /nfs/dbraw/zinc/59/43/70/974594370.db2.gz NISGVJWYODFRBX-FIQHERPVSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330944 974594382 /nfs/dbraw/zinc/59/43/82/974594382.db2.gz NISGVJWYODFRBX-FIQHERPVSA-N 1 2 235.318 2.572 20 0 BFADLO Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC1(F)F)CC2 ZINC001170951005 972139108 /nfs/dbraw/zinc/13/91/08/972139108.db2.gz WRYXOKXGWGIZDR-CABZTGNLSA-N 1 2 241.256 2.680 20 0 BFADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccc[nH+]c1C ZINC001170959808 972165376 /nfs/dbraw/zinc/16/53/76/972165376.db2.gz ZONXQFUTMAOWTA-AAEUAGOBSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cc(C[N@H+]2CCOC[C@H]2C)cc(C)c1F ZINC001143374325 957053968 /nfs/dbraw/zinc/05/39/68/957053968.db2.gz SNPRVTPGZMCHCD-GFCCVEGCSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C[N@@H+]2CCOC[C@H]2C)cc(C)c1F ZINC001143374325 957053981 /nfs/dbraw/zinc/05/39/81/957053981.db2.gz SNPRVTPGZMCHCD-GFCCVEGCSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C)c(Nc2ncncc2C)c[nH+]1 ZINC001213513570 957079545 /nfs/dbraw/zinc/07/95/45/957079545.db2.gz WIGIQNGIJXMWCB-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CC(C)CCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001208735360 957148076 /nfs/dbraw/zinc/14/80/76/957148076.db2.gz XLUIEDUGQPLERI-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001208735360 957148057 /nfs/dbraw/zinc/14/80/57/957148057.db2.gz XLUIEDUGQPLERI-NSHDSACASA-N 1 2 235.318 2.515 20 0 BFADLO COc1ccc(C)[nH+]c1N(C)C[C@H]1CC1(C)C ZINC001167092897 957280582 /nfs/dbraw/zinc/28/05/82/957280582.db2.gz WLXNYUIONAZOAT-LLVKDONJSA-N 1 2 234.343 2.881 20 0 BFADLO CC[C@H](c1ccccc1)N(C)c1cc(N)nc[nH+]1 ZINC001167128107 957425668 /nfs/dbraw/zinc/42/56/68/957425668.db2.gz PATYATOTDAZIGH-GFCCVEGCSA-N 1 2 242.326 2.646 20 0 BFADLO Cn1c[nH+]c2cc(Nc3ncccc3F)ccc21 ZINC001209810529 957538657 /nfs/dbraw/zinc/53/86/57/957538657.db2.gz DLNFDSPGXCPRSX-UHFFFAOYSA-N 1 2 242.257 2.851 20 0 BFADLO Cc1nc(N2C[C@H]3[C@H](CF)[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001167222172 957555089 /nfs/dbraw/zinc/55/50/89/957555089.db2.gz BWNSGNVUHKMGBH-CNDDSTCGSA-N 1 2 249.333 2.560 20 0 BFADLO COc1cc[nH+]c(Nc2cccc(F)c2O)c1 ZINC001210195626 957663931 /nfs/dbraw/zinc/66/39/31/957663931.db2.gz JEOJCJUZUGNNAD-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(C)c(CO)c2)[nH+]1 ZINC001210245047 957698890 /nfs/dbraw/zinc/69/88/90/957698890.db2.gz GYLSOIHXDZFNPO-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Cc1[nH+]cc(Nc2cccnc2Cl)cc1N ZINC001210285244 957714760 /nfs/dbraw/zinc/71/47/60/957714760.db2.gz MONLIFLOJIETMC-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1[nH+]cc(Nc2cc(CC(C)C)no2)cc1N ZINC001210285814 957715745 /nfs/dbraw/zinc/71/57/45/957715745.db2.gz SJNZWMYLBNJINQ-UHFFFAOYSA-N 1 2 246.314 2.902 20 0 BFADLO Cc1cc[nH+]c2cc(NC3=CCOC3)ccc12 ZINC001203394733 957808330 /nfs/dbraw/zinc/80/83/30/957808330.db2.gz IXHWQFBWHSFBSJ-UHFFFAOYSA-N 1 2 226.279 2.869 20 0 BFADLO COc1cc(Nc2ccnc(F)c2)cc(C)[nH+]1 ZINC001210775591 957877043 /nfs/dbraw/zinc/87/70/43/957877043.db2.gz YAFJFZGILUMOGK-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CCCC[C@@H](CC)CN1CC[NH2+]CC(F)(F)C1 ZINC001210814757 957908976 /nfs/dbraw/zinc/90/89/76/957908976.db2.gz IKFNRSHVOVHVBV-GFCCVEGCSA-N 1 2 248.361 2.743 20 0 BFADLO Cc1cccn2c(C[N@H+]3C[C@H](F)C[C@H]3C)cnc12 ZINC001136958335 972304718 /nfs/dbraw/zinc/30/47/18/972304718.db2.gz NNVYIELRBFEDEE-VXGBXAGGSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1cccn2c(C[N@@H+]3C[C@H](F)C[C@H]3C)cnc12 ZINC001136958335 972304722 /nfs/dbraw/zinc/30/47/22/972304722.db2.gz NNVYIELRBFEDEE-VXGBXAGGSA-N 1 2 247.317 2.575 20 0 BFADLO CCCn1nccc1Nc1c[nH+]ccc1OCC ZINC001210914793 957936503 /nfs/dbraw/zinc/93/65/03/957936503.db2.gz ZKSDWYYNJFNRHY-UHFFFAOYSA-N 1 2 246.314 2.830 20 0 BFADLO C[C@@]1(CF)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093173 958009470 /nfs/dbraw/zinc/00/94/70/958009470.db2.gz JZZASYYCWLNJDS-LBPRGKRZSA-N 1 2 244.260 2.541 20 0 BFADLO C[C@@]1(CF)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093173 958009486 /nfs/dbraw/zinc/00/94/86/958009486.db2.gz JZZASYYCWLNJDS-LBPRGKRZSA-N 1 2 244.260 2.541 20 0 BFADLO Cc1cc(C)c(-n2cnc3ccc(N)cc32)c[nH+]1 ZINC001213515679 958179806 /nfs/dbraw/zinc/17/98/06/958179806.db2.gz CSUHTEIEWSUOEV-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Cc1c[nH+]cc(Nc2cncc(F)c2)c1C ZINC001213522551 958195970 /nfs/dbraw/zinc/19/59/70/958195970.db2.gz CFSCSQLCMNVMFF-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]cc(Nc2ncc(O)cc2C)c1C ZINC001213522607 958197384 /nfs/dbraw/zinc/19/73/84/958197384.db2.gz DDBDXZDPIPRYKJ-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO Cc1cc(C)c(C[NH2+]Cc2csnn2)cc1C ZINC000398460537 958266550 /nfs/dbraw/zinc/26/65/50/958266550.db2.gz IRAXTGAWRFFVDC-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO COc1cc(Nc2[nH+]cccc2N)cc(C)c1F ZINC001215700530 958275208 /nfs/dbraw/zinc/27/52/08/958275208.db2.gz MLOAXNRIUQCEIP-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COc1cnc(F)cc1Nc1ccc(C)[nH+]c1C ZINC001215803803 958324109 /nfs/dbraw/zinc/32/41/09/958324109.db2.gz OBSYEMHVCHSGDZ-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1ccc(F)c(C[NH+]2CC(C)C2)c1Cl ZINC001143365955 972346159 /nfs/dbraw/zinc/34/61/59/972346159.db2.gz ZHPSURPNWARYKJ-UHFFFAOYSA-N 1 2 243.709 2.939 20 0 BFADLO Cc1cc(C)c(Nc2cc(N)nc[nH+]2)c(C)c1 ZINC000145998580 972359303 /nfs/dbraw/zinc/35/93/03/972359303.db2.gz BDKUMSZZIZLPFD-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1ccc([C@@H](C)OCCn2cc[nH+]c2)cc1 ZINC001222138575 972387685 /nfs/dbraw/zinc/38/76/85/972387685.db2.gz HWSWEWVADCKEDN-CYBMUJFWSA-N 1 2 230.311 2.969 20 0 BFADLO CC1(C)CCC[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222139700 972390249 /nfs/dbraw/zinc/39/02/49/972390249.db2.gz UROLYZUYJYEIRV-GFCCVEGCSA-N 1 2 222.332 2.869 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CCC1CCC1 ZINC001350334780 959061257 /nfs/dbraw/zinc/06/12/57/959061257.db2.gz PRTUZYPYPBCWMM-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO C=Cc1cccc(NCc2cc[nH+]c(N)c2)c1 ZINC001167617803 959087175 /nfs/dbraw/zinc/08/71/75/959087175.db2.gz VGPHZTQMNHPFOT-UHFFFAOYSA-N 1 2 225.295 2.919 20 0 BFADLO Cc1ncc(Cl)cc1NCc1cc[nH+]c(N)c1 ZINC001167619361 959087758 /nfs/dbraw/zinc/08/77/58/959087758.db2.gz ZFTYQEWNXDNDOD-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO C[NH+](C)c1ccc(NCc2ccns2)cc1 ZINC000404445463 959270835 /nfs/dbraw/zinc/27/08/35/959270835.db2.gz BWJSPHDMCKJBIB-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(Cl)c(CO)c1F ZINC001222350590 972442163 /nfs/dbraw/zinc/44/21/63/972442163.db2.gz RYHOQSXNKPDVGV-YALUOGEHSA-N 1 2 241.693 2.847 20 0 BFADLO Cc1ccc(F)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005893 959827346 /nfs/dbraw/zinc/82/73/46/959827346.db2.gz NVHCSAGAIXEJAN-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1cc(Cl)ccn1 ZINC000092407377 960129275 /nfs/dbraw/zinc/12/92/75/960129275.db2.gz NMQQVPICFYOLMC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1cc(Cl)ccn1 ZINC000092407377 960129280 /nfs/dbraw/zinc/12/92/80/960129280.db2.gz NMQQVPICFYOLMC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO c1cn(CCO[C@@H]2CCc3ccccc32)c[nH+]1 ZINC001222130028 960476199 /nfs/dbraw/zinc/47/61/99/960476199.db2.gz XHLGCTNGMYSKCX-CQSZACIVSA-N 1 2 228.295 2.587 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1cc[nH]c1)C2 ZINC001140707489 960521890 /nfs/dbraw/zinc/52/18/90/960521890.db2.gz NVKWZGFNWLFMDC-UHFFFAOYSA-N 1 2 216.259 2.670 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1cc[nH]c1)C2 ZINC001140707489 960521904 /nfs/dbraw/zinc/52/19/04/960521904.db2.gz NVKWZGFNWLFMDC-UHFFFAOYSA-N 1 2 216.259 2.670 20 0 BFADLO C[C@@H]1C[N@H+](Cc2coc3ccccc23)CCC1=O ZINC001140782700 960568589 /nfs/dbraw/zinc/56/85/89/960568589.db2.gz QLDOPZJLLUWCHD-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCC1=O ZINC001140782700 960568607 /nfs/dbraw/zinc/56/86/07/960568607.db2.gz QLDOPZJLLUWCHD-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO Oc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC001140794042 960577729 /nfs/dbraw/zinc/57/77/29/960577729.db2.gz VFSILWDOKKMNQB-LLVKDONJSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC001140794042 960577746 /nfs/dbraw/zinc/57/77/46/960577746.db2.gz VFSILWDOKKMNQB-LLVKDONJSA-N 1 2 243.709 2.980 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)n[nH]1 ZINC001203070176 960620747 /nfs/dbraw/zinc/62/07/47/960620747.db2.gz JQRBJCJZQVAIEL-SECBINFHSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)n[nH]1 ZINC001203070176 960620756 /nfs/dbraw/zinc/62/07/56/960620756.db2.gz JQRBJCJZQVAIEL-SECBINFHSA-N 1 2 243.301 2.585 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2CCCC3(CC3)C2)n1 ZINC000695960140 960647210 /nfs/dbraw/zinc/64/72/10/960647210.db2.gz ZXEDKYIHJGZMJW-JTQLQIEISA-N 1 2 235.331 2.617 20 0 BFADLO Oc1ccc(C[N@@H+]2CCCC23CC3)c(F)c1F ZINC001140890109 960670640 /nfs/dbraw/zinc/67/06/40/960670640.db2.gz VPNMHSFTKGVMHX-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1ccc(C[N@H+]2CCCC23CC3)c(F)c1F ZINC001140890109 960670644 /nfs/dbraw/zinc/67/06/44/960670644.db2.gz VPNMHSFTKGVMHX-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Cn1c[nH+]cc1CO[C@@H]1CCC=CCCC1 ZINC001222595110 960721377 /nfs/dbraw/zinc/72/13/77/960721377.db2.gz OVMSLPFVHGXYGB-CYBMUJFWSA-N 1 2 220.316 2.826 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@H](OCc2c[nH+]cn2C)C1 ZINC001222594293 960721596 /nfs/dbraw/zinc/72/15/96/960721596.db2.gz DJMQLQBOEXIZRZ-NTZNESFSSA-N 1 2 222.332 2.761 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncco2)cn1 ZINC001141010748 960814040 /nfs/dbraw/zinc/81/40/40/960814040.db2.gz GUFZICNRFBZXHS-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncco2)cn1 ZINC001141010748 960814041 /nfs/dbraw/zinc/81/40/41/960814041.db2.gz GUFZICNRFBZXHS-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO CCCCc1[nH]c(CN2CCC[C@H](F)C2)c[nH+]1 ZINC001141069772 960858594 /nfs/dbraw/zinc/85/85/94/960858594.db2.gz CSNKOZBULHIKTE-NSHDSACASA-N 1 2 239.338 2.686 20 0 BFADLO CCCCc1[nH]cc(CN2CCC[C@H](F)C2)[nH+]1 ZINC001141069772 960858593 /nfs/dbraw/zinc/85/85/93/960858593.db2.gz CSNKOZBULHIKTE-NSHDSACASA-N 1 2 239.338 2.686 20 0 BFADLO CC(C)(C)c1cccc(C[NH+]2CC3(CCO3)C2)c1 ZINC001141103680 960865258 /nfs/dbraw/zinc/86/52/58/960865258.db2.gz GMSQSNPYENCOCG-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC001141130226 960881538 /nfs/dbraw/zinc/88/15/38/960881538.db2.gz DVYOJPYSLOJLKI-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC001141130226 960881552 /nfs/dbraw/zinc/88/15/52/960881552.db2.gz DVYOJPYSLOJLKI-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c(F)c1 ZINC001141191607 960920129 /nfs/dbraw/zinc/92/01/29/960920129.db2.gz PZCVKQKRJYTHFB-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c(F)c1 ZINC001141191607 960920161 /nfs/dbraw/zinc/92/01/61/960920161.db2.gz PZCVKQKRJYTHFB-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(COC[C@@H]2CCC=CO2)cc(C)[nH+]1 ZINC001223418899 961299963 /nfs/dbraw/zinc/29/99/63/961299963.db2.gz CPRMFZSDXROIHX-AWEZNQCLSA-N 1 2 233.311 2.908 20 0 BFADLO [NH2+]=CNc1cc(OCc2ccccc2)ccn1 ZINC001167863872 961333393 /nfs/dbraw/zinc/33/33/93/961333393.db2.gz HELIXHOYUWJKTJ-UHFFFAOYSA-N 1 2 227.267 2.680 20 0 BFADLO [NH2+]=CNc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001167864991 961337853 /nfs/dbraw/zinc/33/78/53/961337853.db2.gz QQWIHUHVCJXMKT-UHFFFAOYSA-N 1 2 237.266 2.644 20 0 BFADLO COC[C@@H](Nc1cc(C(C)C)[nH+]c(C)n1)C1CC1 ZINC000709766386 961486563 /nfs/dbraw/zinc/48/65/63/961486563.db2.gz DFWGIKRTXCANBY-CYBMUJFWSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1nc(N[C@H]2CCC[C@@H](O)C2)cc(C(C)C)[nH+]1 ZINC000709799593 961576709 /nfs/dbraw/zinc/57/67/09/961576709.db2.gz QQEGZBJUSWIOIC-NWDGAFQWSA-N 1 2 249.358 2.624 20 0 BFADLO COC(C)(C)CNc1cc(C(C)C)[nH+]c(C)n1 ZINC000709808768 961626236 /nfs/dbraw/zinc/62/62/36/961626236.db2.gz BHCPOQARPBOLRC-UHFFFAOYSA-N 1 2 237.347 2.745 20 0 BFADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]1C ZINC001143551787 961820611 /nfs/dbraw/zinc/82/06/11/961820611.db2.gz ISYDNIMBUBEKEM-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@H]1C ZINC001143551787 961820619 /nfs/dbraw/zinc/82/06/19/961820619.db2.gz ISYDNIMBUBEKEM-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO CCC(CC)N(C(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001143293730 962002219 /nfs/dbraw/zinc/00/22/19/962002219.db2.gz MQXDIQGEHMTTOY-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc[nH]n1 ZINC000130903877 962220222 /nfs/dbraw/zinc/22/02/22/962220222.db2.gz UBVLSVAZSDNDOH-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc[nH]n1 ZINC000130903877 962220249 /nfs/dbraw/zinc/22/02/49/962220249.db2.gz UBVLSVAZSDNDOH-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO CC(C)N(C(=O)c1c[nH]c2cc[nH+]cc21)C(C)C ZINC001152969333 962501599 /nfs/dbraw/zinc/50/15/99/962501599.db2.gz KZQSAEINRMJQPP-UHFFFAOYSA-N 1 2 245.326 2.822 20 0 BFADLO COc1cc(C)c[nH+]c1NCc1ccc(C)nc1 ZINC001155322085 963045218 /nfs/dbraw/zinc/04/52/18/963045218.db2.gz SQKFNSPTJCLENQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1c(F)cc[nH+]c1NCCc1cccc(O)c1 ZINC001155866675 963189965 /nfs/dbraw/zinc/18/99/65/963189965.db2.gz XNJJWAHIPFMHSF-UHFFFAOYSA-N 1 2 246.285 2.889 20 0 BFADLO CCN(CC)c1cc(NC2(C)CCC2)[nH+]cn1 ZINC001156073601 963251236 /nfs/dbraw/zinc/25/12/36/963251236.db2.gz IJYLNKNTABPAKB-UHFFFAOYSA-N 1 2 234.347 2.677 20 0 BFADLO CCN(CC)c1cc(NC2(C)CCC2)nc[nH+]1 ZINC001156073601 963251245 /nfs/dbraw/zinc/25/12/45/963251245.db2.gz IJYLNKNTABPAKB-UHFFFAOYSA-N 1 2 234.347 2.677 20 0 BFADLO C=Cc1ccc(NCCn2cccc2)[nH+]c1 ZINC001156299813 963306558 /nfs/dbraw/zinc/30/65/58/963306558.db2.gz RWRVFWBFUMCCSE-UHFFFAOYSA-N 1 2 213.284 2.638 20 0 BFADLO C[C@H]1CN(c2cc(N)cc(Cl)[nH+]2)C2(CC2)C1 ZINC001156411750 963336829 /nfs/dbraw/zinc/33/68/29/963336829.db2.gz BBUXEAKNAZOIPX-MRVPVSSYSA-N 1 2 237.734 2.696 20 0 BFADLO COc1cc(C)c[nH+]c1N1C[C@@H](C)CC12CC2 ZINC001156420405 963340757 /nfs/dbraw/zinc/34/07/57/963340757.db2.gz RXEJGSNDSHTVIK-NSHDSACASA-N 1 2 232.327 2.777 20 0 BFADLO Cc1cc(F)cc(C[N@@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001143589808 963384127 /nfs/dbraw/zinc/38/41/27/963384127.db2.gz GHCZCXSUNFOADV-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(F)cc(C[N@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001143589808 963384139 /nfs/dbraw/zinc/38/41/39/963384139.db2.gz GHCZCXSUNFOADV-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Fc1ccc2occ(C[N@@H+]3C[C@@H]4C[C@H]3CO4)c2c1 ZINC001141854744 963449668 /nfs/dbraw/zinc/44/96/68/963449668.db2.gz OCHKSQFJWTWCOB-RYUDHWBXSA-N 1 2 247.269 2.545 20 0 BFADLO Fc1ccc2occ(C[N@H+]3C[C@@H]4C[C@H]3CO4)c2c1 ZINC001141854744 963449671 /nfs/dbraw/zinc/44/96/71/963449671.db2.gz OCHKSQFJWTWCOB-RYUDHWBXSA-N 1 2 247.269 2.545 20 0 BFADLO Cc1ccc(Nc2ccc(O)cc2)[nH+]c1 ZINC000148172232 963545851 /nfs/dbraw/zinc/54/58/51/963545851.db2.gz MAGCWIIEPRVGCO-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO CN(Cc1ccno1)c1[nH+]ccc2ccccc21 ZINC001157349893 963579055 /nfs/dbraw/zinc/57/90/55/963579055.db2.gz GKQKEBKOXXCKRB-UHFFFAOYSA-N 1 2 239.278 2.859 20 0 BFADLO CC(C)c1ccc(N(C)Cc2ccno2)[nH+]c1 ZINC001157348481 963579238 /nfs/dbraw/zinc/57/92/38/963579238.db2.gz JQVZFHYJNBYTGJ-UHFFFAOYSA-N 1 2 231.299 2.829 20 0 BFADLO C=Cc1ccc(NC[C@@H]2CC(C)(C)O2)[nH+]c1 ZINC001157660951 963695573 /nfs/dbraw/zinc/69/55/73/963695573.db2.gz OOXGBQOOFDTFIN-NSHDSACASA-N 1 2 218.300 2.704 20 0 BFADLO CO[C@@H](C)CCOc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228328043 963758822 /nfs/dbraw/zinc/75/88/22/963758822.db2.gz ZOUOXAASXOSQNL-VIFPVBQESA-N 1 2 234.299 2.675 20 0 BFADLO CCCNc1cc[nH+]c(OCC(C)C)c1 ZINC001168136681 963833008 /nfs/dbraw/zinc/83/30/08/963833008.db2.gz HYEYCUVSDAZLQJ-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO CCSc1cc[nH+]c(NC[C@H](C)OC)c1 ZINC001158812828 963931426 /nfs/dbraw/zinc/93/14/26/963931426.db2.gz OSYVCAUXAXGWPV-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CSc1cc[nH+]c(N(C)CC(F)F)c1 ZINC001158933602 963960939 /nfs/dbraw/zinc/96/09/39/963960939.db2.gz FAIHGGYRDBCJOZ-UHFFFAOYSA-N 1 2 218.272 2.505 20 0 BFADLO Cc1c(F)cc[nH+]c1N1C2CCC1CC2 ZINC001159082571 963992525 /nfs/dbraw/zinc/99/25/25/963992525.db2.gz MMFAGRVMXYAZNF-UHFFFAOYSA-N 1 2 206.264 2.660 20 0 BFADLO CCCc1cc(N2C3CCC2CC3)nc(C)[nH+]1 ZINC001159082228 963993616 /nfs/dbraw/zinc/99/36/16/963993616.db2.gz CFNIPTNJHMWFFH-UHFFFAOYSA-N 1 2 231.343 2.869 20 0 BFADLO OC[C@H]1C[C@@H](Nc2cc3cc(F)ccc3c[nH+]2)C1 ZINC001168239131 964034921 /nfs/dbraw/zinc/03/49/21/964034921.db2.gz AOSWVYOAICBUJC-SWZMTVOYSA-N 1 2 246.285 2.557 20 0 BFADLO CCOc1ncc(Nc2ccc(N)[nH+]c2)cc1C ZINC001159281832 964048804 /nfs/dbraw/zinc/04/88/04/964048804.db2.gz CVZBMFUWGOSKRZ-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO CCc1cc(NCOc2ccccc2)nc(C)[nH+]1 ZINC001159705328 964157811 /nfs/dbraw/zinc/15/78/11/964157811.db2.gz XSHVPJXVFVTXAO-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO CCc1nc(NCOc2ccccc2)cc(C)[nH+]1 ZINC001159704763 964159370 /nfs/dbraw/zinc/15/93/70/964159370.db2.gz FMBLFAAYRHRJAT-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO CCc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)o1 ZINC001204389108 964225170 /nfs/dbraw/zinc/22/51/70/964225170.db2.gz JSIPIEBFEKGSAZ-NSHDSACASA-N 1 2 235.327 2.643 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)o1 ZINC001204389108 964225182 /nfs/dbraw/zinc/22/51/82/964225182.db2.gz JSIPIEBFEKGSAZ-NSHDSACASA-N 1 2 235.327 2.643 20 0 BFADLO c1[nH]c2c(cccc2Nc2cccnc2)[nH+]1 ZINC001213026003 964404530 /nfs/dbraw/zinc/40/45/30/964404530.db2.gz DOOGDPBRRINUFC-UHFFFAOYSA-N 1 2 210.240 2.702 20 0 BFADLO Fc1ccc(Nc2cccc3[nH+]c[nH]c32)nc1 ZINC001213026139 964410100 /nfs/dbraw/zinc/41/01/00/964410100.db2.gz KAWUXKPWKDRQEH-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO CCOC(=O)[C@@H](C)CNc1cccc(C2CC2)[nH+]1 ZINC001160891764 964437448 /nfs/dbraw/zinc/43/74/48/964437448.db2.gz JHIXSXLMNCKBKF-JTQLQIEISA-N 1 2 248.326 2.570 20 0 BFADLO CCC1(Nc2ccc(C3CC3)c[nH+]2)COC1 ZINC001168321983 964441669 /nfs/dbraw/zinc/44/16/69/964441669.db2.gz PMFOSKMZYZUKGU-UHFFFAOYSA-N 1 2 218.300 2.550 20 0 BFADLO Cc1cc(NC[C@H]2C[C@@](C)(O)C2)ccc1[NH+](C)C ZINC001168344743 964484394 /nfs/dbraw/zinc/48/43/94/964484394.db2.gz POTWEHVXXZTQID-JNSHFYNHSA-N 1 2 248.370 2.634 20 0 BFADLO Cc1cc(Nc2cccc3[nH+]c[nH]c32)cc(=O)o1 ZINC001213029724 964526137 /nfs/dbraw/zinc/52/61/37/964526137.db2.gz UEQYFYPARCUVON-UHFFFAOYSA-N 1 2 241.250 2.568 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(F)c2cc[nH]c21 ZINC000200443848 964639960 /nfs/dbraw/zinc/63/99/60/964639960.db2.gz CPYQXBZWDFOMOH-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO CCC1(Nc2cc(COC)cc[nH+]2)CCC1 ZINC001161562638 964640648 /nfs/dbraw/zinc/64/06/48/964640648.db2.gz NBUPRGFSZPXYSM-UHFFFAOYSA-N 1 2 220.316 2.973 20 0 BFADLO COc1c(C)cccc1NCCCn1cc[nH+]c1 ZINC001161688079 964687729 /nfs/dbraw/zinc/68/77/29/964687729.db2.gz ITPBQWGLMYSMSU-UHFFFAOYSA-N 1 2 245.326 2.702 20 0 BFADLO CSCc1cc[nH+]c(NCCc2cnoc2)c1 ZINC001161703193 964698402 /nfs/dbraw/zinc/69/84/02/964698402.db2.gz WQRWZJMTOKBPEQ-UHFFFAOYSA-N 1 2 249.339 2.587 20 0 BFADLO CCC[C@H](C)Nc1ccc(Cl)c(N)[nH+]1 ZINC001161719305 964710172 /nfs/dbraw/zinc/71/01/72/964710172.db2.gz IGPJGRFLPPYNTR-ZETCQYMHSA-N 1 2 213.712 2.918 20 0 BFADLO COC[C@H](Nc1cc(SC)cc[nH+]1)C1CC1 ZINC001161726098 964716033 /nfs/dbraw/zinc/71/60/33/964716033.db2.gz IHXNEPCXCBBCOC-NSHDSACASA-N 1 2 238.356 2.640 20 0 BFADLO COc1cc[nH+]cc1NC1Cc2ccccc2C1 ZINC001161757840 964738762 /nfs/dbraw/zinc/73/87/62/964738762.db2.gz AKOGODLJLUWXMK-UHFFFAOYSA-N 1 2 240.306 2.670 20 0 BFADLO Cc1cc(NCCOC(C)C)ccc1[NH+](C)C ZINC001161795511 964759448 /nfs/dbraw/zinc/75/94/48/964759448.db2.gz BIKBFLINQKWNMC-UHFFFAOYSA-N 1 2 236.359 2.898 20 0 BFADLO FC(F)CNc1cccc(Cc2ccncc2)[nH+]1 ZINC001161811840 964766636 /nfs/dbraw/zinc/76/66/36/964766636.db2.gz WWCODBVWJVGSNB-UHFFFAOYSA-N 1 2 249.264 2.744 20 0 BFADLO CN(C)c1cc(NC(C)(C)CC2CCC2)[nH+]cn1 ZINC001161847418 964785503 /nfs/dbraw/zinc/78/55/03/964785503.db2.gz NJIXVKPTMVCQGT-UHFFFAOYSA-N 1 2 248.374 2.923 20 0 BFADLO CN(C)c1cc(NC(C)(C)CC2CCC2)nc[nH+]1 ZINC001161847418 964785514 /nfs/dbraw/zinc/78/55/14/964785514.db2.gz NJIXVKPTMVCQGT-UHFFFAOYSA-N 1 2 248.374 2.923 20 0 BFADLO Cc1cc(C)n(CCNc2c[nH+]c(C)c(C)c2)n1 ZINC001162148896 964857788 /nfs/dbraw/zinc/85/77/88/964857788.db2.gz SQTBEUAMHBZCJQ-UHFFFAOYSA-N 1 2 244.342 2.624 20 0 BFADLO CCn1cc(Nc2cc(C)c(C)c[nH+]2)ccc1=O ZINC001162175352 964860354 /nfs/dbraw/zinc/86/03/54/964860354.db2.gz ZBTSVZJIPRWQIX-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO Cc1c[nH+]cc(NCC(C)(F)F)c1C ZINC001162233654 964885859 /nfs/dbraw/zinc/88/58/59/964885859.db2.gz BDKKDVUGDBSHCH-UHFFFAOYSA-N 1 2 200.232 2.766 20 0 BFADLO Cn1c[nH+]c2ccc(NCC(C)(F)F)cc21 ZINC001162234216 964888997 /nfs/dbraw/zinc/88/89/97/964888997.db2.gz OZRFDZCKPCLCNI-UHFFFAOYSA-N 1 2 225.242 2.640 20 0 BFADLO COC(=O)CCCCCCNc1cccc[nH+]1 ZINC001162424939 964971913 /nfs/dbraw/zinc/97/19/13/964971913.db2.gz ZTXCGOGVPUHENX-UHFFFAOYSA-N 1 2 236.315 2.617 20 0 BFADLO Nc1ccn(-c2cc[nH+]cc2Cl)c2nccc1-2 ZINC001212146914 965077389 /nfs/dbraw/zinc/07/73/89/965077389.db2.gz OXRBUSUVHLMBAC-UHFFFAOYSA-N 1 2 244.685 2.608 20 0 BFADLO Cc1ccc(C)c(Nc2ccncc2Cl)[nH+]1 ZINC001212148068 965081263 /nfs/dbraw/zinc/08/12/63/965081263.db2.gz UBENUBVGCJYKIY-UHFFFAOYSA-N 1 2 233.702 2.912 20 0 BFADLO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC1(F)F)C2 ZINC001168397164 965153539 /nfs/dbraw/zinc/15/35/39/965153539.db2.gz MIAMDVSOEDYKQQ-NWDGAFQWSA-N 1 2 241.256 2.680 20 0 BFADLO OC[C@@H]1CCCCN1c1cc2ccccc2c[nH+]1 ZINC001163551668 965446771 /nfs/dbraw/zinc/44/67/71/965446771.db2.gz MGBZVMVDHHDZLM-AWEZNQCLSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1c[nH+]c(N(C(C)C)C(C)C)nc1NC1CC1 ZINC001163571838 965454620 /nfs/dbraw/zinc/45/46/20/965454620.db2.gz DGNLYPCADXFVHX-UHFFFAOYSA-N 1 2 248.374 2.983 20 0 BFADLO CC(=O)Nc1c(C)cc[nH+]c1N(C(C)C)C(C)C ZINC001163578062 965460133 /nfs/dbraw/zinc/46/01/33/965460133.db2.gz ZPXSWMDWUMKMBX-UHFFFAOYSA-N 1 2 249.358 2.972 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cccc(O)c2F)C1 ZINC001233049643 965463748 /nfs/dbraw/zinc/46/37/48/965463748.db2.gz GEOSIALXQHRHEL-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cccc(O)c2F)C1 ZINC001233049643 965463753 /nfs/dbraw/zinc/46/37/53/965463753.db2.gz GEOSIALXQHRHEL-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO Cc1nc(N(C)C(C)C)cc(C(C)C)[nH+]1 ZINC001163619134 965482313 /nfs/dbraw/zinc/48/23/13/965482313.db2.gz JKVCBVSVMOCXDL-UHFFFAOYSA-N 1 2 207.321 2.753 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC1(F)F ZINC001168453711 965755751 /nfs/dbraw/zinc/75/57/51/965755751.db2.gz GTTHZHWQUZGXHL-KWQFWETISA-N 1 2 229.245 2.754 20 0 BFADLO Cc1nc(N(C)C2CC(C)C2)c2c([nH+]1)CCC2 ZINC001164200085 965794208 /nfs/dbraw/zinc/79/42/08/965794208.db2.gz VLQWDVCKVGJZIU-UHFFFAOYSA-N 1 2 231.343 2.508 20 0 BFADLO F[C@@H]1CN(c2cc3ccccc3c[nH+]2)C[C@H]1F ZINC001164209916 965798217 /nfs/dbraw/zinc/79/82/17/965798217.db2.gz PGHHLCGEUCUQIT-VXGBXAGGSA-N 1 2 234.249 2.731 20 0 BFADLO Cc1cc(N2C[C@@H](C)C[C@H]2CF)nc(C2CC2)[nH+]1 ZINC001164261034 965815819 /nfs/dbraw/zinc/81/58/19/965815819.db2.gz WCTPBJFGMGIPFW-CABZTGNLSA-N 1 2 249.333 2.847 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC(=O)C[C@H]1C ZINC001168479235 965878124 /nfs/dbraw/zinc/87/81/24/965878124.db2.gz JSTZNBQPFACTSG-VXGBXAGGSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC(=O)C[C@H]1C ZINC001168479235 965878133 /nfs/dbraw/zinc/87/81/33/965878133.db2.gz JSTZNBQPFACTSG-VXGBXAGGSA-N 1 2 249.329 2.810 20 0 BFADLO CCC1CCN(c2cc(COC)cc[nH+]2)CC1 ZINC001164446242 965885560 /nfs/dbraw/zinc/88/55/60/965885560.db2.gz JYVZYNUHXFFQST-UHFFFAOYSA-N 1 2 234.343 2.854 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC(F)(F)C[C@H]1CF ZINC001164525720 965900722 /nfs/dbraw/zinc/90/07/22/965900722.db2.gz UTBGVLVSRCBKIO-QMMMGPOBSA-N 1 2 248.223 2.713 20 0 BFADLO CC(C)c1ccc(N2CC(C)(F)C2)[nH+]c1 ZINC001164585642 965925507 /nfs/dbraw/zinc/92/55/07/965925507.db2.gz AMJTXHCRKZFZHJ-UHFFFAOYSA-N 1 2 208.280 2.753 20 0 BFADLO CC(C)(C)c1ccc(N2CC(C)(F)C2)[nH+]c1 ZINC001164591884 965933405 /nfs/dbraw/zinc/93/34/05/965933405.db2.gz SPCZBXGIQLYWFI-UHFFFAOYSA-N 1 2 222.307 2.927 20 0 BFADLO Cc1ccc(Nc2cccc(N)c2O)c(C)[nH+]1 ZINC001203381479 965944268 /nfs/dbraw/zinc/94/42/68/965944268.db2.gz ZOHAYVBQDPRRSE-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CC(C)c1ccc(N(C)[C@H]2CC[C@H](O)CC2)[nH+]c1 ZINC001165225633 965989843 /nfs/dbraw/zinc/98/98/43/965989843.db2.gz IXRFJSQEAJNAFS-HDJSIYSDSA-N 1 2 248.370 2.945 20 0 BFADLO CNc1ccc(Nc2cnn3ccccc23)c[nH+]1 ZINC001203451937 965997395 /nfs/dbraw/zinc/99/73/95/965997395.db2.gz GDHNFEBJFVVBBE-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO Cc1nc(N2CCC23CCCC3)c2c([nH+]1)CCC2 ZINC001165279683 966017179 /nfs/dbraw/zinc/01/71/79/966017179.db2.gz BLCYMKYWVHDWIT-UHFFFAOYSA-N 1 2 243.354 2.797 20 0 BFADLO Cc1nc(N2CCC23CCCC3)c(C)c(C)[nH+]1 ZINC001165280750 966025124 /nfs/dbraw/zinc/02/51/24/966025124.db2.gz XDECPXIJMJNSDB-UHFFFAOYSA-N 1 2 231.343 2.925 20 0 BFADLO COC(C)(C)CNc1cc(C)c2[nH]ccc2[nH+]1 ZINC001165858403 966171187 /nfs/dbraw/zinc/17/11/87/966171187.db2.gz LDJBPMBNFQVKEX-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO Cc1c[nH+]c(N(C)C(C)(C)C)nc1NC(C)C ZINC001166526781 966283320 /nfs/dbraw/zinc/28/33/20/966283320.db2.gz IMAMURMZXPQWQW-UHFFFAOYSA-N 1 2 236.363 2.840 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1C[C@H]1CCOC1 ZINC000919144124 966294695 /nfs/dbraw/zinc/29/46/95/966294695.db2.gz OWRWKOGBJMJLPQ-CQSZACIVSA-N 1 2 242.322 2.510 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1cc[nH]c(=O)c1 ZINC001212267632 966387561 /nfs/dbraw/zinc/38/75/61/966387561.db2.gz VKYRTVKMIQRJFG-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCc1cn(CCOc2cccc(F)c2)c[nH+]1 ZINC001166823015 966425023 /nfs/dbraw/zinc/42/50/23/966425023.db2.gz QJHYDUKLXNULAZ-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO C[N@H+](CCF)Cc1cc(F)cc2c1OCCC2 ZINC001236619088 966483876 /nfs/dbraw/zinc/48/38/76/966483876.db2.gz LUIYVNVHFPTPFH-UHFFFAOYSA-N 1 2 241.281 2.552 20 0 BFADLO C[N@@H+](CCF)Cc1cc(F)cc2c1OCCC2 ZINC001236619088 966483886 /nfs/dbraw/zinc/48/38/86/966483886.db2.gz LUIYVNVHFPTPFH-UHFFFAOYSA-N 1 2 241.281 2.552 20 0 BFADLO CCc1cc(C[N@@H+](CC)Cc2ccncc2)on1 ZINC001203213141 966559538 /nfs/dbraw/zinc/55/95/38/966559538.db2.gz MEDGGWBVJNVJOH-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1cc(C[N@H+](CC)Cc2ccncc2)on1 ZINC001203213141 966559542 /nfs/dbraw/zinc/55/95/42/966559542.db2.gz MEDGGWBVJNVJOH-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1nc2c(s1)C[N@H+](Cc1ccco1)CC2 ZINC001203278227 966598809 /nfs/dbraw/zinc/59/88/09/966598809.db2.gz IGUYZODLFYLMME-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1nc2c(s1)C[N@@H+](Cc1ccco1)CC2 ZINC001203278227 966598823 /nfs/dbraw/zinc/59/88/23/966598823.db2.gz IGUYZODLFYLMME-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ccc(Nc2ncc(O)cc2C)c(C)[nH+]1 ZINC001203362626 966614553 /nfs/dbraw/zinc/61/45/53/966614553.db2.gz COKFBSJPSFPMCJ-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO CSc1nccc(Nc2ccc(C)[nH+]c2C)n1 ZINC001203363531 966614654 /nfs/dbraw/zinc/61/46/54/966614654.db2.gz VFXZMHWYBVAFSR-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO Cc1ccc(Nc2cnc(C)c(C)n2)c(C)[nH+]1 ZINC001203370248 966616881 /nfs/dbraw/zinc/61/68/81/966616881.db2.gz JNRPTVIDXNEKNF-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO COc1nc(C)ncc1Nc1ccc(C)[nH+]c1C ZINC001203370627 966618591 /nfs/dbraw/zinc/61/85/91/966618591.db2.gz QCVHAFVRTFXZNC-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1NC1=CCOC1 ZINC001203386259 966622763 /nfs/dbraw/zinc/62/27/63/966622763.db2.gz LCCLJKLNRCIKSW-UHFFFAOYSA-N 1 2 218.300 2.839 20 0 BFADLO CNc1ccc(Nc2cccc(O)c2C)c[nH+]1 ZINC001203458634 966653542 /nfs/dbraw/zinc/65/35/42/966653542.db2.gz QHPCKRHIEXQPRQ-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO CNc1ccc(Nc2cnc(F)c(F)c2)c[nH+]1 ZINC001203454741 966654931 /nfs/dbraw/zinc/65/49/31/966654931.db2.gz LCLZNGMBQLZWAA-UHFFFAOYSA-N 1 2 236.225 2.540 20 0 BFADLO CNc1ccc(Nc2ccc(O)cc2OC)c[nH+]1 ZINC001203459285 966655416 /nfs/dbraw/zinc/65/54/16/966655416.db2.gz JAVVAEPNKGFPFU-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO CNc1ccc(Nc2ccc(F)c(O)c2)c[nH+]1 ZINC001203456720 966655743 /nfs/dbraw/zinc/65/57/43/966655743.db2.gz SPOGMVJXJLOTNN-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CCc1cccc(Nc2ccc(NC)nc2)[nH+]1 ZINC001203452863 966656755 /nfs/dbraw/zinc/65/67/55/966656755.db2.gz RDQQMISCZIPFED-UHFFFAOYSA-N 1 2 228.299 2.824 20 0 BFADLO CNc1ccc(Nc2cc(N)ccc2C)c[nH+]1 ZINC001203457795 966657147 /nfs/dbraw/zinc/65/71/47/966657147.db2.gz AERNDNRRRNBISA-UHFFFAOYSA-N 1 2 228.299 2.758 20 0 BFADLO Cc1coc(C[N@@H+]2CCCC[C@](C)(F)C2)n1 ZINC001237634269 966676485 /nfs/dbraw/zinc/67/64/85/966676485.db2.gz DPCYVVQGNZPGHO-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccnnc2Cl)c1 ZINC001203656249 966719373 /nfs/dbraw/zinc/71/93/73/966719373.db2.gz NWQLAPRSWLEHJV-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO COc1cccnc1Nc1cc(C)c[nH+]c1C ZINC001203656071 966719583 /nfs/dbraw/zinc/71/95/83/966719583.db2.gz KLUDBLBSKZDCEW-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cscn2)c1 ZINC001203656650 966723306 /nfs/dbraw/zinc/72/33/06/966723306.db2.gz ZBCQIBMIRAMSLT-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO COc1nc(C)ncc1Nc1cc(C)c[nH+]c1C ZINC001203656383 966723355 /nfs/dbraw/zinc/72/33/55/966723355.db2.gz PNZBAZALVVSLNJ-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cccc(O)c2)C[C@H]1F ZINC001203859176 966797212 /nfs/dbraw/zinc/79/72/12/966797212.db2.gz HFMPGZPVEMOYOI-CHWSQXEVSA-N 1 2 241.281 2.664 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(O)c2)C[C@H]1F ZINC001203859176 966797217 /nfs/dbraw/zinc/79/72/17/966797217.db2.gz HFMPGZPVEMOYOI-CHWSQXEVSA-N 1 2 241.281 2.664 20 0 BFADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1C ZINC001203895041 966813628 /nfs/dbraw/zinc/81/36/28/966813628.db2.gz NXDPZQGBNAQFPI-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1C ZINC001203895041 966813631 /nfs/dbraw/zinc/81/36/31/966813631.db2.gz NXDPZQGBNAQFPI-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CCOc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001203963523 966831421 /nfs/dbraw/zinc/83/14/21/966831421.db2.gz SZVCYCIKSLUPHT-LBPRGKRZSA-N 1 2 247.338 2.639 20 0 BFADLO CCOc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1 ZINC001203963523 966831426 /nfs/dbraw/zinc/83/14/26/966831426.db2.gz SZVCYCIKSLUPHT-LBPRGKRZSA-N 1 2 247.338 2.639 20 0 BFADLO Nc1cn2ccc(-c3ccc(F)c(F)c3)cc2[nH+]1 ZINC001239583829 967022581 /nfs/dbraw/zinc/02/25/81/967022581.db2.gz IZVYXKLGAPTIBB-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cc(C)c(C)o2)n(C)n1 ZINC001204532654 967027130 /nfs/dbraw/zinc/02/71/30/967027130.db2.gz DKWGMNJEFDDYSP-UHFFFAOYSA-N 1 2 247.342 2.570 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cc(C)c(C)o2)n(C)n1 ZINC001204532654 967027135 /nfs/dbraw/zinc/02/71/35/967027135.db2.gz DKWGMNJEFDDYSP-UHFFFAOYSA-N 1 2 247.342 2.570 20 0 BFADLO CCc1cccc(Nc2ccc(N)c(OC)c2)[nH+]1 ZINC001249719783 967035964 /nfs/dbraw/zinc/03/59/64/967035964.db2.gz VIQQDEAINMWJHC-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3ncsc3C2)oc1C ZINC001204534405 967035953 /nfs/dbraw/zinc/03/59/53/967035953.db2.gz ZAUARWONTLIINL-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1cc(C[N@H+]2CCc3ncsc3C2)oc1C ZINC001204534405 967035963 /nfs/dbraw/zinc/03/59/63/967035963.db2.gz ZAUARWONTLIINL-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO C[C@@]1(F)CCCC[N@H+](Cc2nccs2)C1 ZINC001204545517 967038355 /nfs/dbraw/zinc/03/83/55/967038355.db2.gz WFQSQKGRERXECV-LLVKDONJSA-N 1 2 228.336 2.857 20 0 BFADLO C[C@@]1(F)CCCC[N@@H+](Cc2nccs2)C1 ZINC001204545517 967038365 /nfs/dbraw/zinc/03/83/65/967038365.db2.gz WFQSQKGRERXECV-LLVKDONJSA-N 1 2 228.336 2.857 20 0 BFADLO COc1ccc(-c2ccc3[nH+]c(C)cn3c2)cn1 ZINC001239725034 967115992 /nfs/dbraw/zinc/11/59/92/967115992.db2.gz DGFLQQOYJZLIBV-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1ccc2[nH]c(C[NH+]3CC4(CCC4)C3)nc2c1 ZINC001204751847 967145776 /nfs/dbraw/zinc/14/57/76/967145776.db2.gz PZQVISOYUWMIPY-UHFFFAOYSA-N 1 2 227.311 2.549 20 0 BFADLO Fc1c[nH+]ccc1N[C@@H]1CCNc2ccccc21 ZINC001168648093 967207213 /nfs/dbraw/zinc/20/72/13/967207213.db2.gz ZOASKBPQJVTNIY-CYBMUJFWSA-N 1 2 243.285 2.611 20 0 BFADLO Fc1cnc(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001204951682 967250524 /nfs/dbraw/zinc/25/05/24/967250524.db2.gz WEZHDTKJQQGKHJ-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO Nc1ccc2c(ccn2-c2ccn3cc[nH+]c3c2)c1 ZINC001204972104 967269874 /nfs/dbraw/zinc/26/98/74/967269874.db2.gz XEUBGHKTLLDTHH-UHFFFAOYSA-N 1 2 248.289 2.860 20 0 BFADLO Cc1cc(N)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204983049 967275121 /nfs/dbraw/zinc/27/51/21/967275121.db2.gz NHXMRGGCXQUSHF-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc(C)c1F ZINC000094894867 967288267 /nfs/dbraw/zinc/28/82/67/967288267.db2.gz TVJDXNZCDZEJLZ-LBPRGKRZSA-N 1 2 249.329 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc(C)c1F ZINC000094894867 967288274 /nfs/dbraw/zinc/28/82/74/967288274.db2.gz TVJDXNZCDZEJLZ-LBPRGKRZSA-N 1 2 249.329 2.853 20 0 BFADLO C[C@H](Nc1[nH+]cnc2[nH]cc(F)c21)C(C)(C)C ZINC001168682115 967308668 /nfs/dbraw/zinc/30/86/68/967308668.db2.gz HIWYNDOGJZABQS-ZETCQYMHSA-N 1 2 236.294 2.944 20 0 BFADLO c1cn(Cc2ccc(C[C@H]3CCCO3)cc2)c[nH+]1 ZINC001250104467 967378831 /nfs/dbraw/zinc/37/88/31/967378831.db2.gz JJAOLTVHHXCBON-OAHLLOKOSA-N 1 2 242.322 2.653 20 0 BFADLO CC[C@H](C)C[C@@H](C)[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001168691055 967384879 /nfs/dbraw/zinc/38/48/79/967384879.db2.gz SBKNDQIQGOSCFE-VHSXEESVSA-N 1 2 247.342 2.813 20 0 BFADLO CNc1ccc(CC(=O)c2ccc(F)cc2)c[nH+]1 ZINC001250135054 967417691 /nfs/dbraw/zinc/41/76/91/967417691.db2.gz TVKRMBPLUFWIFD-UHFFFAOYSA-N 1 2 244.269 2.688 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cc1F ZINC001205215476 967429680 /nfs/dbraw/zinc/42/96/80/967429680.db2.gz QUACFZRXWGXYPC-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)cc1F ZINC001205215476 967429690 /nfs/dbraw/zinc/42/96/90/967429690.db2.gz QUACFZRXWGXYPC-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO F[C@@H]1C[NH+](Cc2cccc3[nH]ccc32)C[C@H]1F ZINC001205256055 967445638 /nfs/dbraw/zinc/44/56/38/967445638.db2.gz QHRGHVNYCHKIOJ-VXGBXAGGSA-N 1 2 236.265 2.660 20 0 BFADLO OCc1cc(-c2ccn3cc[nH+]c3c2)cs1 ZINC001205282780 967477279 /nfs/dbraw/zinc/47/72/79/967477279.db2.gz BRSOXNHNBCIAGK-UHFFFAOYSA-N 1 2 230.292 2.555 20 0 BFADLO Cc1nc(Cc2ccn3cc[nH+]c3c2)cs1 ZINC001250196791 967513931 /nfs/dbraw/zinc/51/39/31/967513931.db2.gz LZYJXPLMNDLQNQ-UHFFFAOYSA-N 1 2 229.308 2.690 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205364625 967589187 /nfs/dbraw/zinc/58/91/87/967589187.db2.gz ZKCXKXSETOWBCL-SECBINFHSA-N 1 2 248.223 2.644 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC001205364625 967589193 /nfs/dbraw/zinc/58/91/93/967589193.db2.gz ZKCXKXSETOWBCL-SECBINFHSA-N 1 2 248.223 2.644 20 0 BFADLO Fc1cc(C2CC2)ccc1CC[NH+]1CCOCC1 ZINC001250276912 967609803 /nfs/dbraw/zinc/60/98/03/967609803.db2.gz UIIROBVWVPMMGD-UHFFFAOYSA-N 1 2 249.329 2.578 20 0 BFADLO CCOc1cc(C[N@H+](C)C2CC2)c(Cl)cn1 ZINC001250305698 967649613 /nfs/dbraw/zinc/64/96/13/967649613.db2.gz PDUPKAAQWPEDRS-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1cc(C[N@@H+](C)C2CC2)c(Cl)cn1 ZINC001250305698 967649629 /nfs/dbraw/zinc/64/96/29/967649629.db2.gz PDUPKAAQWPEDRS-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1cccc(CCn2cc[nH+]c2)c1F ZINC001250316170 967677536 /nfs/dbraw/zinc/67/75/36/967677536.db2.gz CNUZURKFLISHFQ-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO CCOc1cccc(F)c1CCn1cc[nH+]c1 ZINC001250316580 967683550 /nfs/dbraw/zinc/68/35/50/967683550.db2.gz NOEWXNORVXJSSU-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO CC(C)(C)Oc1ncccc1CCn1cc[nH+]c1 ZINC001250318482 967687116 /nfs/dbraw/zinc/68/71/16/967687116.db2.gz GGEYEJYVIOZXIG-UHFFFAOYSA-N 1 2 245.326 2.698 20 0 BFADLO c1cn(CCc2cnc3sccc3c2)c[nH+]1 ZINC001250318309 967687465 /nfs/dbraw/zinc/68/74/65/967687465.db2.gz AUKABDKEGDDKQY-UHFFFAOYSA-N 1 2 229.308 2.736 20 0 BFADLO COc1ccc(CCn2cc[nH+]c2)cc1SC ZINC001250319254 967693588 /nfs/dbraw/zinc/69/35/88/967693588.db2.gz BORQIDRFMHRKJP-UHFFFAOYSA-N 1 2 248.351 2.856 20 0 BFADLO COCc1ccc(C)c(CCn2cc[nH+]c2)c1 ZINC001250318975 967693907 /nfs/dbraw/zinc/69/39/07/967693907.db2.gz OFAYUDRLYQMDFH-UHFFFAOYSA-N 1 2 230.311 2.581 20 0 BFADLO CC(C)Oc1ccccc1CCn1cc[nH+]c1 ZINC001250319482 967694926 /nfs/dbraw/zinc/69/49/26/967694926.db2.gz RWPZUOHQAITFPA-UHFFFAOYSA-N 1 2 230.311 2.913 20 0 BFADLO COCc1cc(C)c(CCn2cc[nH+]c2)c(C)c1 ZINC001250320192 967697480 /nfs/dbraw/zinc/69/74/80/967697480.db2.gz IYXQLEXSMPDNGY-UHFFFAOYSA-N 1 2 244.338 2.889 20 0 BFADLO CCOc1nccc(C[NH+]2CC(C)C2)c1Cl ZINC001250361481 967765439 /nfs/dbraw/zinc/76/54/39/967765439.db2.gz VDNDILGNKFLPNF-UHFFFAOYSA-N 1 2 240.734 2.585 20 0 BFADLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cnoc1 ZINC001205724798 967802145 /nfs/dbraw/zinc/80/21/45/967802145.db2.gz ZJVIDBOXUYKBBJ-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnoc1 ZINC001205724798 967802150 /nfs/dbraw/zinc/80/21/50/967802150.db2.gz ZJVIDBOXUYKBBJ-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO C[NH+]1CC(OCc2ccc3ccccc3c2)C1 ZINC001205761323 967814828 /nfs/dbraw/zinc/81/48/28/967814828.db2.gz IKIPJWWIRIKUBB-UHFFFAOYSA-N 1 2 227.307 2.670 20 0 BFADLO CCOc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC001250427173 967843165 /nfs/dbraw/zinc/84/31/65/967843165.db2.gz XBZKSOBUOCKHME-UHFFFAOYSA-N 1 2 202.257 2.839 20 0 BFADLO c1c2c(cc3[nH+]c(C4CCOCC4)[nH]c13)CCC2 ZINC001250433556 967849666 /nfs/dbraw/zinc/84/96/66/967849666.db2.gz PVTCURCSUJCYBC-UHFFFAOYSA-N 1 2 242.322 2.946 20 0 BFADLO Cc1c2[nH+]c(C3CCOCC3)[nH]c2ccc1F ZINC001250433499 967849920 /nfs/dbraw/zinc/84/99/20/967849920.db2.gz OBNGHUUEVHJJPB-UHFFFAOYSA-N 1 2 234.274 2.904 20 0 BFADLO Cc1ccc2[nH]c(CC3CCOCC3)[nH+]c2c1 ZINC001250432885 967850371 /nfs/dbraw/zinc/85/03/71/967850371.db2.gz BLUVKXXZTAWFKV-UHFFFAOYSA-N 1 2 230.311 2.840 20 0 BFADLO CC[C@H](CO)Nc1[nH+]c(C)cc(Cl)c1C ZINC001163045640 967982455 /nfs/dbraw/zinc/98/24/55/967982455.db2.gz SGLPEIILCJHSTL-SECBINFHSA-N 1 2 228.723 2.535 20 0 BFADLO Cc1nc(C[NH+]2CC(c3ccccc3)C2)co1 ZINC001206074887 968044831 /nfs/dbraw/zinc/04/48/31/968044831.db2.gz YRDKDRWCLWCELO-UHFFFAOYSA-N 1 2 228.295 2.582 20 0 BFADLO CS[C@H](C)Cc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250568259 968082589 /nfs/dbraw/zinc/08/25/89/968082589.db2.gz WABAOGWBAZALRW-MRVPVSSYSA-N 1 2 248.351 2.792 20 0 BFADLO Cc1cc(F)cc2[nH+]c(CC3CC3)[nH]c21 ZINC001250572896 968093311 /nfs/dbraw/zinc/09/33/11/968093311.db2.gz MIVLKZSTXHQAPC-UHFFFAOYSA-N 1 2 204.248 2.963 20 0 BFADLO CCOc1ccc2[nH]c(CC3CC3)[nH+]c2c1 ZINC001250572789 968094221 /nfs/dbraw/zinc/09/42/21/968094221.db2.gz IRDAKPIMSXHPLT-UHFFFAOYSA-N 1 2 216.284 2.914 20 0 BFADLO COCCCc1[nH]c2c(cc(F)cc2C)[nH+]1 ZINC001250602067 968143038 /nfs/dbraw/zinc/14/30/38/968143038.db2.gz DNWHUGHXIYKVAR-UHFFFAOYSA-N 1 2 222.263 2.589 20 0 BFADLO C[C@@H]1C[C@H]1c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250613962 968160170 /nfs/dbraw/zinc/16/01/70/968160170.db2.gz GBQNTWMLROEMBR-VXNVDRBHSA-N 1 2 214.268 2.621 20 0 BFADLO Cc1cc(O)cc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001206262051 968178124 /nfs/dbraw/zinc/17/81/24/968178124.db2.gz MQIYYWYOQUIXQS-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO COc1ccc(C)[nH+]c1N1CC[C@@H](C)[C@H](F)C1 ZINC001164175420 968185057 /nfs/dbraw/zinc/18/50/57/968185057.db2.gz WAZCEMSLFRHNEY-MWLCHTKSSA-N 1 2 238.306 2.583 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)CCC[C@@H]1O ZINC001164231560 968195572 /nfs/dbraw/zinc/19/55/72/968195572.db2.gz VELQLELXPHFAHC-RISCZKNCSA-N 1 2 246.354 2.556 20 0 BFADLO COc1cc(Nc2ccccc2N)cc(C)[nH+]1 ZINC001206322955 968231171 /nfs/dbraw/zinc/23/11/71/968231171.db2.gz KGYGZPNUYWVILY-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO CCCc1cc(N2C[C@@H]3C[C@H]2C[C@H]3F)nc(C)[nH+]1 ZINC001166529509 968323907 /nfs/dbraw/zinc/32/39/07/968323907.db2.gz CTVFNRRVVZYUNI-WCFLWFBJSA-N 1 2 249.333 2.674 20 0 BFADLO Cc1nc(N2CCC[C@H](C)[C@H]2C)c2c([nH+]1)CCC2 ZINC001166609417 968349475 /nfs/dbraw/zinc/34/94/75/968349475.db2.gz AKPYSFBGHAZEET-WDEREUQCSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1nc(N2CCC[C@@H](C)[C@@H]2C)c2c([nH+]1)CCC2 ZINC001166609410 968349512 /nfs/dbraw/zinc/34/95/12/968349512.db2.gz AKPYSFBGHAZEET-MNOVXSKESA-N 1 2 245.370 2.899 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@@H]3C2)[nH+]c2ccccc12 ZINC001119361612 968353399 /nfs/dbraw/zinc/35/33/99/968353399.db2.gz XUHBSSODRXMPPC-TXEJJXNPSA-N 1 2 224.307 2.999 20 0 BFADLO CC1(C)CN(c2cc(C3CC3)cc[nH+]2)CCC1=O ZINC001166976105 968407882 /nfs/dbraw/zinc/40/78/82/968407882.db2.gz PGUFOMHYPCEKKI-UHFFFAOYSA-N 1 2 244.338 2.764 20 0 BFADLO CC(C)Oc1cc(-c2ccc[nH+]c2N)c(F)cn1 ZINC001206630143 968427984 /nfs/dbraw/zinc/42/79/84/968427984.db2.gz MLYREVDGZHPKNG-UHFFFAOYSA-N 1 2 247.273 2.652 20 0 BFADLO Cc1c[nH+]c(Nc2cc(O)cc(F)c2)c(N)c1 ZINC001206760853 968458042 /nfs/dbraw/zinc/45/80/42/968458042.db2.gz ZKFPKYMGNNNZAM-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Fc1cnccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001206783637 968467802 /nfs/dbraw/zinc/46/78/02/968467802.db2.gz MCGYEXZAHBCLIG-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001206783637 968467804 /nfs/dbraw/zinc/46/78/04/968467804.db2.gz MCGYEXZAHBCLIG-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO C[N@H+](Cc1cccc(F)c1)Cc1ccncc1F ZINC001206783461 968468851 /nfs/dbraw/zinc/46/88/51/968468851.db2.gz IFADLVJHEOMAOM-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccc(F)c1)Cc1ccncc1F ZINC001206783461 968468855 /nfs/dbraw/zinc/46/88/55/968468855.db2.gz IFADLVJHEOMAOM-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1cc(NCc2c[nH+]c(C)cc2C)nc(F)n1 ZINC000821936988 968500031 /nfs/dbraw/zinc/50/00/31/968500031.db2.gz MRJVKVYBLSKNCZ-UHFFFAOYSA-N 1 2 246.289 2.548 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCC[C@H](F)C2)nc1 ZINC001207037963 968568278 /nfs/dbraw/zinc/56/82/78/968568278.db2.gz DPVMOHYRDRXUIZ-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccc(C[N@H+]2CCCC[C@H](F)C2)nc1 ZINC001207037963 968568273 /nfs/dbraw/zinc/56/82/73/968568273.db2.gz DPVMOHYRDRXUIZ-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccncc1C ZINC001240611665 968573497 /nfs/dbraw/zinc/57/34/97/968573497.db2.gz SHDSCRNAVCDMCX-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCCCN(C)Cc1[nH+]cc2ccccn21 ZINC001207048556 968577497 /nfs/dbraw/zinc/57/74/97/968577497.db2.gz VFLLXNOMULBLMC-UHFFFAOYSA-N 1 2 217.316 2.566 20 0 BFADLO CCCC[C@@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252098292 968582491 /nfs/dbraw/zinc/58/24/91/968582491.db2.gz WXBMKERLNGURIR-GFCCVEGCSA-N 1 2 247.342 2.536 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)s1 ZINC001207058988 968588940 /nfs/dbraw/zinc/58/89/40/968588940.db2.gz QKUBHLCBMJNOKM-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)s1 ZINC001207058988 968588948 /nfs/dbraw/zinc/58/89/48/968588948.db2.gz QKUBHLCBMJNOKM-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO CCn1cc(-c2cccc3[nH+]c(C)cn32)cn1 ZINC001240648892 968619895 /nfs/dbraw/zinc/61/98/95/968619895.db2.gz MFQUVIIOELOMAI-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000825216163 968633979 /nfs/dbraw/zinc/63/39/79/968633979.db2.gz DZDNVXSBHPCAIC-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ncccc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001207147704 968657762 /nfs/dbraw/zinc/65/77/62/968657762.db2.gz HRDYXAAUFJMGJO-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ncccc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001207147704 968657765 /nfs/dbraw/zinc/65/77/65/968657765.db2.gz HRDYXAAUFJMGJO-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO CC(C)(Nc1ccc(Cl)c(N)[nH+]1)C1CC1 ZINC001155072088 968872991 /nfs/dbraw/zinc/87/29/91/968872991.db2.gz HEVBHKXAKVXOPQ-UHFFFAOYSA-N 1 2 225.723 2.918 20 0 BFADLO F[C@@H]1C[N@@H+](CC2(c3ccccc3)CC2)C[C@@H]1F ZINC001207832981 968896160 /nfs/dbraw/zinc/89/61/60/968896160.db2.gz HOOUMXIFDTZEIN-BETUJISGSA-N 1 2 237.293 2.710 20 0 BFADLO F[C@@H]1C[N@H+](CC2(c3ccccc3)CC2)C[C@@H]1F ZINC001207832981 968896163 /nfs/dbraw/zinc/89/61/63/968896163.db2.gz HOOUMXIFDTZEIN-BETUJISGSA-N 1 2 237.293 2.710 20 0 BFADLO C[C@@H](C[N@@H+]1CCCC(=O)[C@@H](F)C1)c1ccccc1 ZINC001207899959 968923370 /nfs/dbraw/zinc/92/33/70/968923370.db2.gz RECCCJMEOKFHAG-JSGCOSHPSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@@H](C[N@H+]1CCCC(=O)[C@@H](F)C1)c1ccccc1 ZINC001207899959 968923375 /nfs/dbraw/zinc/92/33/75/968923375.db2.gz RECCCJMEOKFHAG-JSGCOSHPSA-N 1 2 249.329 2.793 20 0 BFADLO Nc1cc(-c2ccc(-c3ncco3)cc2)cc[nH+]1 ZINC001241170558 968944059 /nfs/dbraw/zinc/94/40/59/968944059.db2.gz NVTUPVORMPZGQL-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1cc(-c2ccc(-c3c[nH]cn3)cc2)cc[nH+]1 ZINC001241169785 968944657 /nfs/dbraw/zinc/94/46/57/968944657.db2.gz BQCWEVXBQSNQMM-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO CCC[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001252794013 968976562 /nfs/dbraw/zinc/97/65/62/968976562.db2.gz OATCBYCUSKQUGJ-CYBMUJFWSA-N 1 2 245.326 2.650 20 0 BFADLO O=C1CCC[N@@H+](CCCC2CCCC2)C[C@H]1F ZINC001208087512 968981932 /nfs/dbraw/zinc/98/19/32/968981932.db2.gz NMHAUKRFTNBDPO-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1CCC[N@H+](CCCC2CCCC2)C[C@H]1F ZINC001208087512 968981939 /nfs/dbraw/zinc/98/19/39/968981939.db2.gz NMHAUKRFTNBDPO-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cscn1 ZINC001241890038 969130327 /nfs/dbraw/zinc/13/03/27/969130327.db2.gz AMDMRFYLRHAANQ-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Clc1cc2c(cn1)C[N@H+](CCC1CC1)C2 ZINC001208685640 969195412 /nfs/dbraw/zinc/19/54/12/969195412.db2.gz HQUOMFRVPRCNSY-UHFFFAOYSA-N 1 2 222.719 2.851 20 0 BFADLO Clc1cc2c(cn1)C[N@@H+](CCC1CC1)C2 ZINC001208685640 969195415 /nfs/dbraw/zinc/19/54/15/969195415.db2.gz HQUOMFRVPRCNSY-UHFFFAOYSA-N 1 2 222.719 2.851 20 0 BFADLO c1cc(C2=CCOCC2)cc(N2CCCCC2)[nH+]1 ZINC001242075241 969199258 /nfs/dbraw/zinc/19/92/58/969199258.db2.gz RTYDDANGRMJOGV-UHFFFAOYSA-N 1 2 244.338 2.876 20 0 BFADLO CCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001253525315 969201694 /nfs/dbraw/zinc/20/16/94/969201694.db2.gz MOKZHRCDMPBDBM-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001253525315 969201700 /nfs/dbraw/zinc/20/17/00/969201700.db2.gz MOKZHRCDMPBDBM-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO Cc1nc2ccc(-c3c[nH+]c(N)cc3C)cc2[nH]1 ZINC001242084289 969201706 /nfs/dbraw/zinc/20/17/06/969201706.db2.gz PVVOJYVNQHGBBU-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1ccc([C@@H](C)Nc2cc[nH+]cc2F)nc1 ZINC001168855933 969237594 /nfs/dbraw/zinc/23/75/94/969237594.db2.gz YTDOCIOTHWSPRJ-SNVBAGLBSA-N 1 2 231.274 2.519 20 0 BFADLO c1cc(NCCC2CCC2)[nH+]c2c1COCC2 ZINC001168886604 969258864 /nfs/dbraw/zinc/25/88/64/969258864.db2.gz HHVHTMYMEVBCLG-UHFFFAOYSA-N 1 2 232.327 2.756 20 0 BFADLO Fc1cc(F)cc(CC[N@H+]2CC[C@@H](F)C2)c1 ZINC001209128509 969352548 /nfs/dbraw/zinc/35/25/48/969352548.db2.gz OPUANOOJAPEURG-SNVBAGLBSA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cc(F)cc(CC[N@@H+]2CC[C@@H](F)C2)c1 ZINC001209128509 969352552 /nfs/dbraw/zinc/35/25/52/969352552.db2.gz OPUANOOJAPEURG-SNVBAGLBSA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cc(F)cc(CC[NH+]2CC(C(F)F)C2)c1 ZINC001209132514 969353893 /nfs/dbraw/zinc/35/38/93/969353893.db2.gz SPHPDWHJRGSKPK-UHFFFAOYSA-N 1 2 247.235 2.704 20 0 BFADLO Clc1cccc(-c2nnc(C[NH+]3CCC3)o2)c1 ZINC001253780769 969401577 /nfs/dbraw/zinc/40/15/77/969401577.db2.gz GGVAAYRFDJUBLQ-UHFFFAOYSA-N 1 2 249.701 2.596 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1ccc2cc[nH]c2c1 ZINC001209515552 969531477 /nfs/dbraw/zinc/53/14/77/969531477.db2.gz VPUMWLYXQMRTGM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1ccc2cc[nH]c2c1 ZINC001209515552 969531484 /nfs/dbraw/zinc/53/14/84/969531484.db2.gz VPUMWLYXQMRTGM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CCCC=Cc1nc2[nH]cc(C(=O)OC)c2c[nH+]1 ZINC001242253356 969641129 /nfs/dbraw/zinc/64/11/29/969641129.db2.gz XMLFHWCOJSKDBP-AATRIKPKSA-N 1 2 245.282 2.509 20 0 BFADLO Clc1cncc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209843390 969652328 /nfs/dbraw/zinc/65/23/28/969652328.db2.gz XAXXFRNAYYVYHR-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Cc1cnc(Nc2ccc3[nH]c[nH+]c3c2)c(C)n1 ZINC001209845420 969653381 /nfs/dbraw/zinc/65/33/81/969653381.db2.gz XSMOZAALYYXZHC-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO CCC[C@@H](CCc1ccccc1)[NH2+]CC(=O)OC ZINC001254485944 969654239 /nfs/dbraw/zinc/65/42/39/969654239.db2.gz OMGLDPREESKGJX-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO Fc1ccc(F)c(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209848965 969662692 /nfs/dbraw/zinc/66/26/92/969662692.db2.gz UKTWFPVJNNMLBT-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(F)c(CO)c1 ZINC001209873166 969676229 /nfs/dbraw/zinc/67/62/29/969676229.db2.gz MCZJVYQHSNUGPJ-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO CCC/C=C/c1ccc([C@H]([NH3+])C(=O)OC)cc1 ZINC001242255486 969741410 /nfs/dbraw/zinc/74/14/10/969741410.db2.gz MOTVXNCHSYCYBO-GFUIURDCSA-N 1 2 233.311 2.673 20 0 BFADLO c1cnc(Nc2ccc3c[nH+]ccc3c2)nc1 ZINC001210044986 969772308 /nfs/dbraw/zinc/77/23/08/969772308.db2.gz SXDCKCHHUOLTQJ-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO c1cnc(Nc2ccc3c[nH+]ccc3c2)cn1 ZINC001210043785 969774759 /nfs/dbraw/zinc/77/47/59/969774759.db2.gz JMUPHIIUUPGCGA-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO COc1cc(Nc2ccc3c[nH+]ccc3c2)no1 ZINC001210045352 969775519 /nfs/dbraw/zinc/77/55/19/969775519.db2.gz JBAPXCYSEMJLCM-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO O[C@@H]1c2ccccc2CC[C@H]1Nc1cccc[nH+]1 ZINC001169612890 969795251 /nfs/dbraw/zinc/79/52/51/969795251.db2.gz IZVFEYHQSBAWOT-UKRRQHHQSA-N 1 2 240.306 2.542 20 0 BFADLO CCC[C@@H](OCC[NH+]1CCOCC1)[C@H](C)CC ZINC001210209269 969831810 /nfs/dbraw/zinc/83/18/10/969831810.db2.gz ZBMYXRUHAOWZFV-ZIAGYGMSSA-N 1 2 243.391 2.550 20 0 BFADLO c1nnsc1Nc1cccc2cc[nH+]cc21 ZINC001210224013 969837142 /nfs/dbraw/zinc/83/71/42/969837142.db2.gz ASXGLFOMOFRPLL-UHFFFAOYSA-N 1 2 228.280 2.830 20 0 BFADLO CO[C@@H](C)CNc1cc(C)c(C(F)(F)F)c[nH+]1 ZINC001169773270 969846532 /nfs/dbraw/zinc/84/65/32/969846532.db2.gz WQEKHLZZYGLXIH-QMMMGPOBSA-N 1 2 248.248 2.856 20 0 BFADLO CO[C@@H](C)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001169773194 969847151 /nfs/dbraw/zinc/84/71/51/969847151.db2.gz RJVUYBMVQPHAAC-NSHDSACASA-N 1 2 243.310 2.590 20 0 BFADLO Cc1[nH+]cc(Nc2cccnc2C2CC2)cc1N ZINC001210286953 969853278 /nfs/dbraw/zinc/85/32/78/969853278.db2.gz HFGUALXIBVLONG-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)cnc1F ZINC001210287408 969854536 /nfs/dbraw/zinc/85/45/36/969854536.db2.gz SIXPGBMAKYGDNW-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cnc(C)c(N)c1 ZINC001210286639 969854732 /nfs/dbraw/zinc/85/47/32/969854732.db2.gz BMIFZYZTJIGTCO-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO Cc1[nH+]cc(Nc2ccc([C@@H](C)O)cc2)cc1N ZINC001210288975 969856340 /nfs/dbraw/zinc/85/63/40/969856340.db2.gz ZKQLAVOCPXUVSQ-SNVBAGLBSA-N 1 2 243.310 2.769 20 0 BFADLO CCc1cccc(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210289034 969856745 /nfs/dbraw/zinc/85/67/45/969856745.db2.gz RATFWGGOYDCVJB-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO Cc1[nH+]cc(Nc2cccc3c2COC3)cc1N ZINC001210292021 969859036 /nfs/dbraw/zinc/85/90/36/969859036.db2.gz YQQFZLUUCJUJMM-UHFFFAOYSA-N 1 2 241.294 2.746 20 0 BFADLO CC(C)n1ccc(Nc2cccn3cc[nH+]c23)n1 ZINC001210335426 969867822 /nfs/dbraw/zinc/86/78/22/969867822.db2.gz CDQSABVDLSAFTN-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO Cc1cc(C)c(Nc2cncc(N(C)C)c2)c[nH+]1 ZINC001210473990 969899059 /nfs/dbraw/zinc/89/90/59/969899059.db2.gz ZPGZIFKVSGTZJM-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1cccc(Nc2ccc(CO)c(F)c2)[nH+]1 ZINC001210481250 969903957 /nfs/dbraw/zinc/90/39/57/969903957.db2.gz IEEVAQQNMJVAAX-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc([C@H](C)O)c1 ZINC001210503522 969913608 /nfs/dbraw/zinc/91/36/08/969913608.db2.gz LVKUVURXASYBAZ-JTQLQIEISA-N 1 2 244.294 2.893 20 0 BFADLO Cc1oncc1Nc1ccc[nH+]c1N1CCCC1 ZINC001210578136 969949897 /nfs/dbraw/zinc/94/98/97/969949897.db2.gz AGDZOXCLEDVKRL-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO Cc1oncc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001210579763 969957008 /nfs/dbraw/zinc/95/70/08/969957008.db2.gz VNNADOVUZCJWKN-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1c[nH]c(=O)c(F)c1 ZINC001210597890 969968977 /nfs/dbraw/zinc/96/89/77/969968977.db2.gz YJUQHGKYDPEKTH-UHFFFAOYSA-N 1 2 247.273 2.936 20 0 BFADLO Cc1ccc(C)c(Nc2c[nH]c(=O)c(F)c2)[nH+]1 ZINC001210599139 969972529 /nfs/dbraw/zinc/97/25/29/969972529.db2.gz CFSBSRJWBXREDA-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO COc1cc(Nc2cc(C)ns2)cc(C)[nH+]1 ZINC001210773999 970023600 /nfs/dbraw/zinc/02/36/00/970023600.db2.gz HJXAONXQPXBQBK-UHFFFAOYSA-N 1 2 235.312 2.907 20 0 BFADLO COc1cc(Nc2cnc(F)c(C)c2)cc(C)[nH+]1 ZINC001210773975 970025599 /nfs/dbraw/zinc/02/55/99/970025599.db2.gz HABLWCZAOROHND-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO [NH2+]=CNc1ccc2c(Cl)cccc2n1 ZINC001157077276 970076667 /nfs/dbraw/zinc/07/66/67/970076667.db2.gz AAMHOIHDOHADED-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H](C)CCCC(C)C)CC1 ZINC001170061368 970118286 /nfs/dbraw/zinc/11/82/86/970118286.db2.gz NITFUSHCPJHZAU-LBPRGKRZSA-N 1 2 241.375 2.887 20 0 BFADLO c1cn2cccc(Nc3cnn4ccccc34)c2[nH+]1 ZINC001211090744 970143210 /nfs/dbraw/zinc/14/32/10/970143210.db2.gz JDVUNGKGZZHAKL-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1nc(C(F)(F)F)ccc1-c1c[nH+]cn1C ZINC001243067284 970253897 /nfs/dbraw/zinc/25/38/97/970253897.db2.gz HPFQMHKIYQZREA-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO Cn1c[nH+]cc1-c1cc2cc[nH]c2c(F)c1 ZINC001243069424 970264790 /nfs/dbraw/zinc/26/47/90/970264790.db2.gz RIUIAWCLVJPEHS-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO C[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001170097691 970270150 /nfs/dbraw/zinc/27/01/50/970270150.db2.gz ADRBSANGHHRAEI-NKWVEPMBSA-N 1 2 231.208 2.962 20 0 BFADLO FC(F)(F)C1CCC([NH+]2CC3(CCO3)C2)CC1 ZINC001255520861 970287230 /nfs/dbraw/zinc/28/72/30/970287230.db2.gz LUIFUFGMNNBQEN-UHFFFAOYSA-N 1 2 249.276 2.582 20 0 BFADLO COc1cc(C)c[nH+]c1NC[C@H]1C[C@H](F)C1 ZINC001157456671 970320271 /nfs/dbraw/zinc/32/02/71/970320271.db2.gz LPSRIQIYZVPLIE-MGCOHNPYSA-N 1 2 224.279 2.559 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccnn1C ZINC001213489285 970325462 /nfs/dbraw/zinc/32/54/62/970325462.db2.gz NPDBXHDKFJCXPH-UHFFFAOYSA-N 1 2 228.299 2.745 20 0 BFADLO CCOc1nccnc1Nc1c[nH+]cc(C)c1C ZINC001213525117 970345822 /nfs/dbraw/zinc/34/58/22/970345822.db2.gz NXSVTTXBMRTHTL-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO COc1nc(C)ncc1Nc1c[nH+]cc(C)c1C ZINC001213527385 970347262 /nfs/dbraw/zinc/34/72/62/970347262.db2.gz ITOUYCWTKDUXGN-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1c[nH+]cc(Nc2c(C)ncnc2C)c1C ZINC001213525499 970349039 /nfs/dbraw/zinc/34/90/39/970349039.db2.gz ZYDPCFAHEROXIQ-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1nccc(Nc2c[nH+]cc(C)c2C)n1 ZINC001213522916 970349811 /nfs/dbraw/zinc/34/98/11/970349811.db2.gz JLGJXHNDBZEKJS-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]cc(Nc2cncc(O)c2)c1C ZINC001213525442 970350423 /nfs/dbraw/zinc/35/04/23/970350423.db2.gz XBQMKOCIKPPHAI-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc[nH+]c(Nc2cc(F)ccc2N)c1 ZINC001214196797 970459951 /nfs/dbraw/zinc/45/99/51/970459951.db2.gz KVSQJXHIZZFZBP-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1ccc(C[C@@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001255792062 970496743 /nfs/dbraw/zinc/49/67/43/970496743.db2.gz IXEXPOMAMQNKNR-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(C[C@@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001255792062 970496752 /nfs/dbraw/zinc/49/67/52/970496752.db2.gz IXEXPOMAMQNKNR-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(C[C@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001255792063 970497994 /nfs/dbraw/zinc/49/79/94/970497994.db2.gz IXEXPOMAMQNKNR-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(C[C@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001255792063 970497999 /nfs/dbraw/zinc/49/79/99/970497999.db2.gz IXEXPOMAMQNKNR-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO COC1C[NH+]([C@H](C)Cc2ccccc2Cl)C1 ZINC001170266418 970647787 /nfs/dbraw/zinc/64/77/87/970647787.db2.gz OFOMVEKXZMESQY-SNVBAGLBSA-N 1 2 239.746 2.602 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CO1 ZINC000401823125 970731643 /nfs/dbraw/zinc/73/16/43/970731643.db2.gz LBXPWAAOSOLYSM-JSGCOSHPSA-N 1 2 246.354 2.876 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CO1 ZINC000401823128 970731707 /nfs/dbraw/zinc/73/17/07/970731707.db2.gz LBXPWAAOSOLYSM-TZMCWYRMSA-N 1 2 246.354 2.876 20 0 BFADLO CCCCCCc1nnc(CCc2c[nH]c[nH+]2)o1 ZINC001256341142 970745772 /nfs/dbraw/zinc/74/57/72/970745772.db2.gz SAUCLFXISYQLAF-UHFFFAOYSA-N 1 2 248.330 2.701 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)c1ccccc1F ZINC001222594555 972593090 /nfs/dbraw/zinc/59/30/90/972593090.db2.gz GHAVGCNMDPAADD-JTQLQIEISA-N 1 2 234.274 2.837 20 0 BFADLO CCCCC[C@@H](C)OCc1c[nH+]cn1C ZINC001222595399 972600810 /nfs/dbraw/zinc/60/08/10/972600810.db2.gz YVSIGYILTJVBRM-LLVKDONJSA-N 1 2 210.321 2.906 20 0 BFADLO COc1ccc(O)cc1-c1ccc2[nH+]ccn2c1 ZINC001222628774 972610207 /nfs/dbraw/zinc/61/02/07/972610207.db2.gz GCWSFVVUNVXAIL-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nnc[nH]1 ZINC001327556044 972636730 /nfs/dbraw/zinc/63/67/30/972636730.db2.gz VZDCMMMXVNMPQW-GFCCVEGCSA-N 1 2 236.363 2.595 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@@H]2C=CCCCCC2)no1 ZINC001327811729 972742071 /nfs/dbraw/zinc/74/20/71/972742071.db2.gz QMLQJHGZDDKOMR-CMPLNLGQSA-N 1 2 235.331 2.918 20 0 BFADLO CCCOC1C[NH+](Cc2cccc(CC)c2)C1 ZINC001144323458 972760892 /nfs/dbraw/zinc/76/08/92/972760892.db2.gz FPRMNOZEGCFSMD-UHFFFAOYSA-N 1 2 233.355 2.860 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC001144558761 972867125 /nfs/dbraw/zinc/86/71/25/972867125.db2.gz COQNXZSXAQDCNS-DTWKUNHWSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(F)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC001144558761 972867129 /nfs/dbraw/zinc/86/71/29/972867129.db2.gz COQNXZSXAQDCNS-DTWKUNHWSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCC3(CC3)C2)cc1F ZINC001144648775 972911109 /nfs/dbraw/zinc/91/11/09/972911109.db2.gz WTJXXBLWMVQGPX-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCC3(CC3)C2)cc1F ZINC001144648775 972911126 /nfs/dbraw/zinc/91/11/26/972911126.db2.gz WTJXXBLWMVQGPX-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccc2scnc2c1 ZINC001144732591 972974572 /nfs/dbraw/zinc/97/45/72/972974572.db2.gz GAUJHVSSQJLAKA-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccc2scnc2c1 ZINC001144732591 972974586 /nfs/dbraw/zinc/97/45/86/972974586.db2.gz GAUJHVSSQJLAKA-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO COc1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]1C ZINC001144749417 972976510 /nfs/dbraw/zinc/97/65/10/972976510.db2.gz LXVKOBXYEMFYEW-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(F)c1C[N@H+]1CC[C@@H]1C ZINC001144749417 972976524 /nfs/dbraw/zinc/97/65/24/972976524.db2.gz LXVKOBXYEMFYEW-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1cc(CO[C@H](C)c2cnccn2)cc(C)[nH+]1 ZINC001223425444 973064320 /nfs/dbraw/zinc/06/43/20/973064320.db2.gz RRTAXDFUZFGBGW-GFCCVEGCSA-N 1 2 243.310 2.766 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246837044 973140267 /nfs/dbraw/zinc/14/02/67/973140267.db2.gz PCQMZKRSBAUBCN-SRVKXCTJSA-N 1 2 248.361 2.870 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246837044 973140285 /nfs/dbraw/zinc/14/02/85/973140285.db2.gz PCQMZKRSBAUBCN-SRVKXCTJSA-N 1 2 248.361 2.870 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc2c[nH]nc21 ZINC001328699590 973279498 /nfs/dbraw/zinc/27/94/98/973279498.db2.gz IJZOPRTZAZOAJZ-UHFFFAOYSA-N 1 2 239.269 2.698 20 0 BFADLO c1ccc(N[C@H]2COCc3ccccc32)[nH+]c1 ZINC001171288609 973283500 /nfs/dbraw/zinc/28/35/00/973283500.db2.gz NTYZTIVQYPVKOQ-ZDUSSCGKSA-N 1 2 226.279 2.765 20 0 BFADLO COC[C@H](C)CNc1[nH+]cccc1OC(C)C ZINC000127980776 973686723 /nfs/dbraw/zinc/68/67/23/973686723.db2.gz CDJMDQNVBDTAJE-LLVKDONJSA-N 1 2 238.331 2.563 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1CN1C(=O)CC1(C)C ZINC001329573575 973833683 /nfs/dbraw/zinc/83/36/83/973833683.db2.gz KGZXUTPMSRJCFZ-NSHDSACASA-N 1 2 244.338 2.532 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1CN1C(=O)CC1(C)C ZINC001329573575 973833687 /nfs/dbraw/zinc/83/36/87/973833687.db2.gz KGZXUTPMSRJCFZ-NSHDSACASA-N 1 2 244.338 2.532 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2csnn2)c1 ZINC001329732655 973898920 /nfs/dbraw/zinc/89/89/20/973898920.db2.gz MEOWJLCGFMYOPJ-UHFFFAOYSA-N 1 2 247.367 2.780 20 0 BFADLO CC(C)(CF)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC001329742711 973901580 /nfs/dbraw/zinc/90/15/80/973901580.db2.gz GWLPOWQWHYBQKE-UHFFFAOYSA-N 1 2 240.253 2.805 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@@H]1CC[C@H](C)O1 ZINC001224963815 974103840 /nfs/dbraw/zinc/10/38/40/974103840.db2.gz QLVRLCQZLPPSCQ-RYUDHWBXSA-N 1 2 243.347 2.755 20 0 BFADLO Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)n[nH]1 ZINC001330214039 974163173 /nfs/dbraw/zinc/16/31/73/974163173.db2.gz VGVJMSGQRQAOHX-CYBMUJFWSA-N 1 2 233.359 2.729 20 0 BFADLO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)n[nH]1 ZINC001330214039 974163187 /nfs/dbraw/zinc/16/31/87/974163187.db2.gz VGVJMSGQRQAOHX-CYBMUJFWSA-N 1 2 233.359 2.729 20 0 BFADLO CC1C[NH+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001248787244 974222524 /nfs/dbraw/zinc/22/25/24/974222524.db2.gz UMWBRZLLLLUFQH-UHFFFAOYSA-N 1 2 248.223 2.691 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1ccncc1 ZINC001225289344 974360366 /nfs/dbraw/zinc/36/03/66/974360366.db2.gz IQJBMZQVMXFNDO-JTQLQIEISA-N 1 2 200.241 2.617 20 0 BFADLO CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc[nH+]cc1 ZINC001225290666 974361265 /nfs/dbraw/zinc/36/12/65/974361265.db2.gz FHYAMZFGBPTAOR-CHWSQXEVSA-N 1 2 249.310 2.582 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1cnc2ccccn21 ZINC001225290257 974362657 /nfs/dbraw/zinc/36/26/57/974362657.db2.gz WVDWIOBFFINLCP-LLVKDONJSA-N 1 2 239.278 2.869 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1ccccn1 ZINC001225291739 974366942 /nfs/dbraw/zinc/36/69/42/974366942.db2.gz XNQZCTSTMBFXDB-SNVBAGLBSA-N 1 2 200.241 2.617 20 0 BFADLO COC(=O)C[C@@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225294413 974368422 /nfs/dbraw/zinc/36/84/22/974368422.db2.gz JSPBFHYIPITNTI-DGCLKSJQSA-N 1 2 249.310 2.582 20 0 BFADLO COC(=O)C[C@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001225294412 974370027 /nfs/dbraw/zinc/37/00/27/974370027.db2.gz JSPBFHYIPITNTI-AAEUAGOBSA-N 1 2 249.310 2.582 20 0 BFADLO CCOC(=O)[C@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225295989 974371086 /nfs/dbraw/zinc/37/10/86/974371086.db2.gz PKEIBWIBYISUQW-WCQYABFASA-N 1 2 249.310 2.582 20 0 BFADLO CC(C)(CF)[NH2+]Cc1nc2ccccc2o1 ZINC001330640515 974382705 /nfs/dbraw/zinc/38/27/05/974382705.db2.gz GLKSGRCFIUYUFK-UHFFFAOYSA-N 1 2 222.263 2.666 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H]1CC1(F)F ZINC001172314640 974521248 /nfs/dbraw/zinc/52/12/48/974521248.db2.gz GTMXSHGLZLGBKC-KXUCPTDWSA-N 1 2 221.291 2.577 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@H]1CC1(F)F ZINC001172314639 974521552 /nfs/dbraw/zinc/52/15/52/974521552.db2.gz GTMXSHGLZLGBKC-GUBZILKMSA-N 1 2 221.291 2.577 20 0 BFADLO C[NH+]1CC(Oc2cc(Cl)cc3cccnc32)C1 ZINC001225486251 974522836 /nfs/dbraw/zinc/52/28/36/974522836.db2.gz OWVRBPNKULXMIK-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C[C@@H]1C ZINC001172375114 974574418 /nfs/dbraw/zinc/57/44/18/974574418.db2.gz BYMKTZDCOKYYOR-RHYQMDGZSA-N 1 2 247.329 2.513 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C[C@@H]1C ZINC001172375114 974574439 /nfs/dbraw/zinc/57/44/39/974574439.db2.gz BYMKTZDCOKYYOR-RHYQMDGZSA-N 1 2 247.329 2.513 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC001172365178 974642424 /nfs/dbraw/zinc/64/24/24/974642424.db2.gz JELMONNQCMZAHK-JBLDHEPKSA-N 1 2 237.347 2.635 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@H](C)[C@@H](C)C2)no1 ZINC001172365178 974642426 /nfs/dbraw/zinc/64/24/26/974642426.db2.gz JELMONNQCMZAHK-JBLDHEPKSA-N 1 2 237.347 2.635 20 0 BFADLO CC(C)(C)[NH+]1CC(Oc2cc(F)ccc2F)C1 ZINC001225901858 974719841 /nfs/dbraw/zinc/71/98/41/974719841.db2.gz WFCFIXPDBXOESY-UHFFFAOYSA-N 1 2 241.281 2.826 20 0 BFADLO CC(C)COCC[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172469799 974766847 /nfs/dbraw/zinc/76/68/47/974766847.db2.gz UOMHVLUKMPGSDV-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172469799 974766853 /nfs/dbraw/zinc/76/68/53/974766853.db2.gz UOMHVLUKMPGSDV-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO Cc1nnc(SCc2c(C)cc(C)[nH+]c2C)[nH]1 ZINC001331938176 974877672 /nfs/dbraw/zinc/87/76/72/974877672.db2.gz IRYDOOVINNSGMN-UHFFFAOYSA-N 1 2 248.355 2.726 20 0 BFADLO CCc1ncc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC001332322771 975056322 /nfs/dbraw/zinc/05/63/22/975056322.db2.gz MIGHSSBVMSTYQA-UHFFFAOYSA-N 1 2 233.315 2.779 20 0 BFADLO Cc1c([C@@H](C)Oc2c(C)cc[nH+]c2C)cnn1C ZINC001227261022 975335935 /nfs/dbraw/zinc/33/59/35/975335935.db2.gz WQLXFXLQNSIAOW-GFCCVEGCSA-N 1 2 245.326 2.880 20 0 BFADLO CC[C@H]1OC(=O)C(Oc2c(C)cc[nH+]c2C)=C1C ZINC001227264107 975338543 /nfs/dbraw/zinc/33/85/43/975338543.db2.gz IUWIUGPDIUWMOC-LLVKDONJSA-N 1 2 247.294 2.687 20 0 BFADLO CCC(=O)[C@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227263340 975340077 /nfs/dbraw/zinc/34/00/77/975340077.db2.gz FFTSVWXHQIHLLX-LBPRGKRZSA-N 1 2 221.300 2.835 20 0 BFADLO CC[C@@H](C)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001227326193 975361616 /nfs/dbraw/zinc/36/16/16/975361616.db2.gz QJWNJBMQXMHTPW-LLVKDONJSA-N 1 2 219.328 2.893 20 0 BFADLO CC[C@H](C)c1ccc(OC2C[NH+](C)C2)cc1 ZINC001227326195 975362924 /nfs/dbraw/zinc/36/29/24/975362924.db2.gz QJWNJBMQXMHTPW-NSHDSACASA-N 1 2 219.328 2.893 20 0 BFADLO c1cncc(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001173854506 975772600 /nfs/dbraw/zinc/77/26/00/975772600.db2.gz GJRMRJUHIFIFCY-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO CCOc1cc(Nc2cccnc2)cc(C)[nH+]1 ZINC001173855481 975777867 /nfs/dbraw/zinc/77/78/67/975777867.db2.gz REKLVIVDXLVMGQ-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO Cc1cccc(C)c1Nc1[nH+]cccc1CCO ZINC001173873819 975831818 /nfs/dbraw/zinc/83/18/18/975831818.db2.gz HQXYYWCVVFGZOC-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO Cn1c[nH+]c2cc(Nc3ccoc3)ccc21 ZINC001173934799 976057396 /nfs/dbraw/zinc/05/73/96/976057396.db2.gz DYLRGYJEDXHWOC-UHFFFAOYSA-N 1 2 213.240 2.910 20 0 BFADLO CCN(C)c1ccc(Nc2ccoc2)c[nH+]1 ZINC001173934550 976057986 /nfs/dbraw/zinc/05/79/86/976057986.db2.gz RPERNHHSICHCEV-UHFFFAOYSA-N 1 2 217.272 2.874 20 0 BFADLO Cc1[nH]c2ccc(OC3CC=CC3)cc2[nH+]1 ZINC001228326404 976124938 /nfs/dbraw/zinc/12/49/38/976124938.db2.gz HUJFNEPSUKIFLI-UHFFFAOYSA-N 1 2 214.268 2.969 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3CCO[C@@H](C)C3)cc2[nH+]1 ZINC001228330620 976126943 /nfs/dbraw/zinc/12/69/43/976126943.db2.gz ZUVZSGBILYRVBU-CABZTGNLSA-N 1 2 246.310 2.818 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3C=CCC3)cc2[nH+]1 ZINC001228329551 976128754 /nfs/dbraw/zinc/12/87/54/976128754.db2.gz NIFGLWJBWAXHEF-SNVBAGLBSA-N 1 2 214.268 2.969 20 0 BFADLO CC[NH+]1CC(Oc2ccc(SC)cc2C)C1 ZINC001228468648 976233520 /nfs/dbraw/zinc/23/35/20/976233520.db2.gz PYSWQEJNKSSCTL-UHFFFAOYSA-N 1 2 237.368 2.800 20 0 BFADLO COc1cc(Nc2cccnc2OC)[nH+]cc1C ZINC001174041853 976252890 /nfs/dbraw/zinc/25/28/90/976252890.db2.gz GGIZDNPYHLBRLF-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO Cc1ccncc1Nc1cccn2cc[nH+]c12 ZINC001174116314 976335058 /nfs/dbraw/zinc/33/50/58/976335058.db2.gz YTKMWBMMOBEFHI-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CNc1cc(N2CC[C@H](C)C3(CCC3)C2)nc[nH+]1 ZINC001334188148 976363892 /nfs/dbraw/zinc/36/38/92/976363892.db2.gz PYDRPFLUUQMGGC-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@H](C)C3(CCC3)C2)[nH+]cn1 ZINC001334188148 976363901 /nfs/dbraw/zinc/36/39/01/976363901.db2.gz PYDRPFLUUQMGGC-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CCN(C)c1ccc(Nc2c(C)n[nH]c2C)c[nH+]1 ZINC001174213504 976392004 /nfs/dbraw/zinc/39/20/04/976392004.db2.gz FNOGTSNNLPOKAS-UHFFFAOYSA-N 1 2 245.330 2.621 20 0 BFADLO Cc1cn2c(cccc2Nc2c(C)n[nH]c2C)[nH+]1 ZINC001174213410 976392290 /nfs/dbraw/zinc/39/22/90/976392290.db2.gz YWAIWZIDYQDPPU-UHFFFAOYSA-N 1 2 241.298 2.726 20 0 BFADLO Fc1cncc(Nc2cccc3[nH+]ccn32)c1 ZINC001174288625 976451017 /nfs/dbraw/zinc/45/10/17/976451017.db2.gz JKHYIIVJVLWWMF-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO Cc1cc(C)c(Nc2cncc(F)c2)c[nH+]1 ZINC001174289765 976453285 /nfs/dbraw/zinc/45/32/85/976453285.db2.gz UTEMCWDHGXJJBN-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cn1c[nH+]c2cc(Nc3cncc(F)c3)ccc21 ZINC001174291475 976462376 /nfs/dbraw/zinc/46/23/76/976462376.db2.gz ADIJAEYSSVLEKG-UHFFFAOYSA-N 1 2 242.257 2.851 20 0 BFADLO Cc1nc(NCc2ccc3c(c2)CCC3)cc[nH+]1 ZINC001334710161 976598671 /nfs/dbraw/zinc/59/86/71/976598671.db2.gz GRXFSSKYEKDZIB-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO Cc1ccc(OC2C[NH+](C)C2)c(C(C)C)c1 ZINC001229123526 976765616 /nfs/dbraw/zinc/76/56/16/976765616.db2.gz DUGSLYJVKIJEDP-UHFFFAOYSA-N 1 2 219.328 2.811 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(N)cc1F ZINC001174480573 976803721 /nfs/dbraw/zinc/80/37/21/976803721.db2.gz ZCRAFUINRFJXBW-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO CCn1cc(Nc2[nH+]c(C)ccc2C)cn1 ZINC001174567228 976885757 /nfs/dbraw/zinc/88/57/57/976885757.db2.gz KLNDBBOHTNOGCG-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO COc1cc[nH+]c(Nc2cc(F)ccc2O)c1 ZINC001174626298 976894917 /nfs/dbraw/zinc/89/49/17/976894917.db2.gz DAKHSMHRKQDIFZ-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO CC[C@H](COc1ccc(-n2cc[nH+]c2)cc1)OC ZINC001229954011 977038604 /nfs/dbraw/zinc/03/86/04/977038604.db2.gz HRJJTFTWQGOIOE-CYBMUJFWSA-N 1 2 246.310 2.676 20 0 BFADLO CCc1cc(N[C@H]2CCOC2(C)C)nc(CC)[nH+]1 ZINC001335501249 977105975 /nfs/dbraw/zinc/10/59/75/977105975.db2.gz OYVBNHBFECLVQY-NSHDSACASA-N 1 2 249.358 2.581 20 0 BFADLO Oc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001174889440 977122501 /nfs/dbraw/zinc/12/25/01/977122501.db2.gz SBYJPSXOQXDBJZ-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO Cc1ccc(Nc2ccc3c(c2)OCO3)[nH+]c1 ZINC001174859716 977126850 /nfs/dbraw/zinc/12/68/50/977126850.db2.gz DDRONBATKOSOKW-UHFFFAOYSA-N 1 2 228.251 2.862 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(N(C)C)cc1 ZINC001174875837 977140576 /nfs/dbraw/zinc/14/05/76/977140576.db2.gz RMOFRDNREQUJTH-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO COc1cc(F)cc(Nc2c[nH+]ccc2OC)c1 ZINC001175007006 977206665 /nfs/dbraw/zinc/20/66/65/977206665.db2.gz AVNWRPHRARHXTQ-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO C[NH+]1CC(Oc2ccc3cc(Cl)cnc3c2)C1 ZINC001230578807 977261597 /nfs/dbraw/zinc/26/15/97/977261597.db2.gz GYHCDZYULVXXJM-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO Cc1cc(N(C)c2[nH+]cccc2N)ccc1F ZINC001175249592 977343962 /nfs/dbraw/zinc/34/39/62/977343962.db2.gz YOPDGLZZONHMRL-UHFFFAOYSA-N 1 2 231.274 2.879 20 0 BFADLO CN(C)c1ccc(Nc2cc(O)ccc2F)c[nH+]1 ZINC001175343776 977367275 /nfs/dbraw/zinc/36/72/75/977367275.db2.gz NUXJJKAZAYTRRU-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Oc1cc2c(cc1OC1CCCC1)CC[NH+]=C2 ZINC001230920349 977383760 /nfs/dbraw/zinc/38/37/60/977383760.db2.gz MNWONZBQEYJWOX-UHFFFAOYSA-N 1 2 231.295 2.689 20 0 BFADLO C[C@H]1CC[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920475 977384855 /nfs/dbraw/zinc/38/48/55/977384855.db2.gz NPERJQKKOLVWQC-GWCFXTLKSA-N 1 2 245.322 2.935 20 0 BFADLO C[C@H]1CC[C@@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920476 977385697 /nfs/dbraw/zinc/38/56/97/977385697.db2.gz NPERJQKKOLVWQC-GXFFZTMASA-N 1 2 245.322 2.935 20 0 BFADLO Cc1c[nH+]c(Nc2cnc3n[nH]cc3c2)c(C)c1 ZINC001175403697 977416042 /nfs/dbraw/zinc/41/60/42/977416042.db2.gz QYYVEVVXUFDCTF-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1cccc(F)c1OC1C[NH+](C(C)(C)C)C1 ZINC001231035341 977436521 /nfs/dbraw/zinc/43/65/21/977436521.db2.gz TZRCVZDRGRDCHU-UHFFFAOYSA-N 1 2 237.318 2.996 20 0 BFADLO Cc1cccc(Nc2ccc([S@](C)=O)cc2)[nH+]1 ZINC001175470417 977437938 /nfs/dbraw/zinc/43/79/38/977437938.db2.gz CQYBADHIDDVFFL-KRWDZBQOSA-N 1 2 246.335 2.871 20 0 BFADLO CC(C)OCCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231080317 977469887 /nfs/dbraw/zinc/46/98/87/977469887.db2.gz BLZSLSOBHLIEEB-UHFFFAOYSA-N 1 2 246.310 2.881 20 0 BFADLO CCc1cccc(N(C)c2[nH+]cccc2N)c1 ZINC001175551626 977530079 /nfs/dbraw/zinc/53/00/79/977530079.db2.gz WCDJYPOGBWWSLS-UHFFFAOYSA-N 1 2 227.311 2.994 20 0 BFADLO CCOc1ncc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001175556124 977540794 /nfs/dbraw/zinc/54/07/94/977540794.db2.gz PVQDWYMLQWHGGS-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1c[nH+]c(NC=CC(C)(C)C)c(N)c1 ZINC001175569264 977557002 /nfs/dbraw/zinc/55/70/02/977557002.db2.gz NOVJWHRTICNFLS-AATRIKPKSA-N 1 2 205.305 2.944 20 0 BFADLO C[N@@H+]1CCCC(=Nc2cc(C(C)(C)C)no2)C1 ZINC001175574953 977575208 /nfs/dbraw/zinc/57/52/08/977575208.db2.gz GZFSAKQIXBIVAK-UHFFFAOYSA-N 1 2 235.331 2.603 20 0 BFADLO C[N@H+]1CCCC(=Nc2cc(C(C)(C)C)no2)C1 ZINC001175574953 977575216 /nfs/dbraw/zinc/57/52/16/977575216.db2.gz GZFSAKQIXBIVAK-UHFFFAOYSA-N 1 2 235.331 2.603 20 0 BFADLO Cc1n[nH]c2cc(Nc3[nH+]cccc3N)ccc12 ZINC001175660357 977632664 /nfs/dbraw/zinc/63/26/64/977632664.db2.gz XAPRBOPGCUNKTB-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO c1oc(-c2ccccc2)nc1C[NH+]1CCC1 ZINC001231627626 977651621 /nfs/dbraw/zinc/65/16/21/977651621.db2.gz HMTODWUCHYRQFS-UHFFFAOYSA-N 1 2 214.268 2.547 20 0 BFADLO CCOc1ccc(Nc2c[nH+]ccc2OC)cn1 ZINC001175740810 977678438 /nfs/dbraw/zinc/67/84/38/977678438.db2.gz ZPRYDSLRRVIDLF-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO CCc1ccc(N2C[C@@H](C)O[C@H](CC)C2)[nH+]c1 ZINC001336503939 977728609 /nfs/dbraw/zinc/72/86/09/977728609.db2.gz RJHCABBBMSYJBY-DGCLKSJQSA-N 1 2 234.343 2.648 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H]3[C@H](C2)C3(C)C)[nH+]1 ZINC001336526246 977747151 /nfs/dbraw/zinc/74/71/51/977747151.db2.gz AFFCBRRPPIIEJJ-PHIMTYICSA-N 1 2 220.291 2.621 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)C[C@H]2C)[nH+]1 ZINC001336532193 977752074 /nfs/dbraw/zinc/75/20/74/977752074.db2.gz OQCGNTURVFVMOG-WCBMZHEXSA-N 1 2 208.280 2.764 20 0 BFADLO CC(C)(C)Oc1ccc(C[NH+]2CCOCC2)cc1 ZINC001231803926 977755607 /nfs/dbraw/zinc/75/56/07/977755607.db2.gz NNIHULDKNBOQHV-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Cc1ccc(Nc2ccc(F)cn2)c(C)[nH+]1 ZINC001175846766 977760982 /nfs/dbraw/zinc/76/09/82/977760982.db2.gz QGBLRCFBOJXKBB-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C)[C@@H]2C)[nH+]1 ZINC001336543534 977761585 /nfs/dbraw/zinc/76/15/85/977761585.db2.gz LZMVDQJJWNPDJU-WPRPVWTQSA-N 1 2 208.280 2.764 20 0 BFADLO CCc1ccc(N(C)Cc2nccs2)[nH+]c1 ZINC001336542997 977764067 /nfs/dbraw/zinc/76/40/67/977764067.db2.gz HIKXQZYRZCDZOX-UHFFFAOYSA-N 1 2 233.340 2.737 20 0 BFADLO Cc1cc(C)c(Nc2cnn(C3CC3)c2)c[nH+]1 ZINC001175956876 977819969 /nfs/dbraw/zinc/81/99/69/977819969.db2.gz IGIHHRYLSVVFEA-UHFFFAOYSA-N 1 2 228.299 2.973 20 0 BFADLO CCc1ccc(N2CC[C@@H](OC)[C@@H](C)C2)[nH+]c1 ZINC001336665436 977839259 /nfs/dbraw/zinc/83/92/59/977839259.db2.gz JTMITANYVKSVRX-WCQYABFASA-N 1 2 234.343 2.505 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1ccc2[nH]nnc2c1 ZINC001175999101 977853674 /nfs/dbraw/zinc/85/36/74/977853674.db2.gz LMYZXQMUGYXPAV-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO CCC[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001336702921 977865625 /nfs/dbraw/zinc/86/56/25/977865625.db2.gz IIPIHNAVTMLTAQ-CHWSQXEVSA-N 1 2 249.358 2.625 20 0 BFADLO CCOc1cc(NC2=CCOCC2)cc(C)[nH+]1 ZINC001176141190 977921700 /nfs/dbraw/zinc/92/17/00/977921700.db2.gz UUXCHSDFWHXTCN-UHFFFAOYSA-N 1 2 234.299 2.505 20 0 BFADLO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](F)C2)ccn1 ZINC001232213664 977942355 /nfs/dbraw/zinc/94/23/55/977942355.db2.gz CMMPFLOXWNIYCA-GFCCVEGCSA-N 1 2 236.334 2.923 20 0 BFADLO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](F)C2)ccn1 ZINC001232213664 977942364 /nfs/dbraw/zinc/94/23/64/977942364.db2.gz CMMPFLOXWNIYCA-GFCCVEGCSA-N 1 2 236.334 2.923 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(Cl)n1 ZINC001176116887 977943356 /nfs/dbraw/zinc/94/33/56/977943356.db2.gz OWPMYVLZJNKPEN-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(OC)c(C)c1 ZINC001176116880 977943866 /nfs/dbraw/zinc/94/38/66/977943866.db2.gz OMZCJUQJJDBPQJ-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)nc(F)c1 ZINC001176117968 977945496 /nfs/dbraw/zinc/94/54/96/977945496.db2.gz FJNXWCXUPNQUJX-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1Nc1cnccc1Cl ZINC001176116375 977947463 /nfs/dbraw/zinc/94/74/63/977947463.db2.gz AUSWUCIXDOCYIA-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)c(O)c1 ZINC001176121112 977948664 /nfs/dbraw/zinc/94/86/64/977948664.db2.gz NZIBZSBIUAVJQA-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO CCOc1cncc(Nc2c[nH+]ccc2OC)c1 ZINC001176119039 977949084 /nfs/dbraw/zinc/94/90/84/977949084.db2.gz SYGSQDDJQZRIPL-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc(C)c(Nc2c[nH+]ccc2OC)cn1 ZINC001176119328 977951015 /nfs/dbraw/zinc/95/10/15/977951015.db2.gz WCVOHDZLXYCOIZ-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1ncc(C)cc1C ZINC001176119434 977953763 /nfs/dbraw/zinc/95/37/63/977953763.db2.gz ZIQIXIWZWXIYTG-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)c(O)c1 ZINC001176123425 977956061 /nfs/dbraw/zinc/95/60/61/977956061.db2.gz SXJGYJRQEQNZHQ-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(CO)c(C)c1 ZINC001176123066 977956560 /nfs/dbraw/zinc/95/65/60/977956560.db2.gz IDKBNHUQVGHUGO-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(CO)ccc1C ZINC001176121708 977958838 /nfs/dbraw/zinc/95/88/38/977958838.db2.gz LKTHOJBDRRQYEF-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C(c1n[nH]c2c1CCC2)[NH+]1C2CCCC1CCC2 ZINC001232430124 978069666 /nfs/dbraw/zinc/06/96/66/978069666.db2.gz OOMMNARHWMPIMM-UHFFFAOYSA-N 1 2 245.370 2.805 20 0 BFADLO Oc1ccc(Nc2cccc3[nH+]ccn32)c(F)c1 ZINC001176408851 978078099 /nfs/dbraw/zinc/07/80/99/978078099.db2.gz RNMRMXFXLVAQGI-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC001232462261 978095127 /nfs/dbraw/zinc/09/51/27/978095127.db2.gz LZSWLMVGJOVPFG-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC001232462261 978095137 /nfs/dbraw/zinc/09/51/37/978095137.db2.gz LZSWLMVGJOVPFG-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1nc(C[N@H+]2Cc3ccccc3C[C@H]2C)c[nH]1 ZINC001232464993 978113500 /nfs/dbraw/zinc/11/35/00/978113500.db2.gz PPORPEYYGZQBNV-LLVKDONJSA-N 1 2 241.338 2.665 20 0 BFADLO Cc1nc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c[nH]1 ZINC001232464993 978113506 /nfs/dbraw/zinc/11/35/06/978113506.db2.gz PPORPEYYGZQBNV-LLVKDONJSA-N 1 2 241.338 2.665 20 0 BFADLO Cc1cccc(F)c1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001232483553 978134614 /nfs/dbraw/zinc/13/46/14/978134614.db2.gz KXHUGOLFWYRXNR-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(F)c1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001232483553 978134617 /nfs/dbraw/zinc/13/46/17/978134617.db2.gz KXHUGOLFWYRXNR-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Nc1ccc[nH+]c1Nc1cc(O)cc(Cl)c1 ZINC001176621358 978139080 /nfs/dbraw/zinc/13/90/80/978139080.db2.gz QNBRWHWUPBVUQK-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2C)[nH]n1 ZINC001337057128 978148020 /nfs/dbraw/zinc/14/80/20/978148020.db2.gz FIXHLSVGIBMWBN-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2C)n[nH]1 ZINC001337057128 978148035 /nfs/dbraw/zinc/14/80/35/978148035.db2.gz FIXHLSVGIBMWBN-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Fc1ccnc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC001232496135 978148450 /nfs/dbraw/zinc/14/84/50/978148450.db2.gz OPERNALZSQEIQK-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccnc(C[N@H+]2CCc3ccsc3C2)c1 ZINC001232496135 978148457 /nfs/dbraw/zinc/14/84/57/978148457.db2.gz OPERNALZSQEIQK-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001232496117 978149335 /nfs/dbraw/zinc/14/93/35/978149335.db2.gz NSUTYDLKVRWNKY-QMMMGPOBSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1ccnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001232496117 978149345 /nfs/dbraw/zinc/14/93/45/978149345.db2.gz NSUTYDLKVRWNKY-QMMMGPOBSA-N 1 2 248.223 2.605 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc3ncsc3c2)CCO1 ZINC001232738447 978256649 /nfs/dbraw/zinc/25/66/49/978256649.db2.gz AXZMRFYKEZTLML-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc3ncsc3c2)CCO1 ZINC001232738447 978256659 /nfs/dbraw/zinc/25/66/59/978256659.db2.gz AXZMRFYKEZTLML-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO CCCn1cnc(C[N@H+](C)C2CC(F)(F)C2)c1 ZINC001232795583 978282178 /nfs/dbraw/zinc/28/21/78/978282178.db2.gz PGMULPMOPFZHJX-UHFFFAOYSA-N 1 2 243.301 2.523 20 0 BFADLO CCCn1cnc(C[N@@H+](C)C2CC(F)(F)C2)c1 ZINC001232795583 978282192 /nfs/dbraw/zinc/28/21/92/978282192.db2.gz PGMULPMOPFZHJX-UHFFFAOYSA-N 1 2 243.301 2.523 20 0 BFADLO CCCC[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001337640471 978436905 /nfs/dbraw/zinc/43/69/05/978436905.db2.gz PYDGYLCNUOUSGI-SNVBAGLBSA-N 1 2 234.343 2.885 20 0 BFADLO CCc1ccc(N2CCO[C@@H](C(C)C)C2)[nH+]c1 ZINC001337820908 978511623 /nfs/dbraw/zinc/51/16/23/978511623.db2.gz XBUMVPJQLAGMID-CYBMUJFWSA-N 1 2 234.343 2.505 20 0 BFADLO CCc1ccc(N2CCC(C)(COC)CC2)[nH+]c1 ZINC001337920422 978565731 /nfs/dbraw/zinc/56/57/31/978565731.db2.gz IQADDNYLKJPGLZ-UHFFFAOYSA-N 1 2 248.370 2.897 20 0 BFADLO CCc1ccc(N2CCO[C@](C)(C3CC3)C2)[nH+]c1 ZINC001338046145 978596550 /nfs/dbraw/zinc/59/65/50/978596550.db2.gz BJMUAQVWYVDFDY-HNNXBMFYSA-N 1 2 246.354 2.649 20 0 BFADLO C=Cc1ccc(OC2C[NH+](C(C)C)C2)c(OC)c1 ZINC001233571707 978632284 /nfs/dbraw/zinc/63/22/84/978632284.db2.gz YCZUGIOQOMBCNL-UHFFFAOYSA-N 1 2 247.338 2.810 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338242535 978639801 /nfs/dbraw/zinc/63/98/01/978639801.db2.gz LQDLGDLPGYSRMP-JTQLQIEISA-N 1 2 234.343 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCC[C@H]1C ZINC001338242599 978640347 /nfs/dbraw/zinc/64/03/47/978640347.db2.gz MCRUFCWOJIKRLA-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)C=CC(C)(C)C)[nH+]1 ZINC001179092254 978668438 /nfs/dbraw/zinc/66/84/38/978668438.db2.gz KMGMBJKDHBZNOY-SREVYHEPSA-N 1 2 249.358 2.752 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)/C=C\C(C)(C)C)c[nH+]1 ZINC001179092254 978668444 /nfs/dbraw/zinc/66/84/44/978668444.db2.gz KMGMBJKDHBZNOY-SREVYHEPSA-N 1 2 249.358 2.752 20 0 BFADLO Cc1cc(NCc2ccncc2)c[nH+]c1C ZINC001179447795 978703379 /nfs/dbraw/zinc/70/33/79/978703379.db2.gz RJSKIXDEBRACNC-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO C[NH+]1CC(Oc2ccc3ccnc(Cl)c3c2)C1 ZINC001233861570 978714869 /nfs/dbraw/zinc/71/48/69/978714869.db2.gz UJSVDSUJWHAFQN-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCc1cccc(C)c1OC1C[NH+](CC)C1 ZINC001233928795 978731511 /nfs/dbraw/zinc/73/15/11/978731511.db2.gz PTRZVVQETYFWBW-UHFFFAOYSA-N 1 2 219.328 2.640 20 0 BFADLO CCOCCc1cc(C2CC2)c[nH+]c1C ZINC001249944124 978746905 /nfs/dbraw/zinc/74/69/05/978746905.db2.gz XGBFJWNIUUCKQG-UHFFFAOYSA-N 1 2 205.301 2.846 20 0 BFADLO CCn1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001179845908 978766469 /nfs/dbraw/zinc/76/64/69/978766469.db2.gz ZXUWQPIOSKUMJW-OAHLLOKOSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001179845908 978766475 /nfs/dbraw/zinc/76/64/75/978766475.db2.gz ZXUWQPIOSKUMJW-OAHLLOKOSA-N 1 2 241.338 2.850 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC001338994288 978767802 /nfs/dbraw/zinc/76/78/02/978767802.db2.gz YMBCSWRALMUMKZ-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C1CCC=CCC1 ZINC001339102425 978794209 /nfs/dbraw/zinc/79/42/09/978794209.db2.gz HKMNUHYZEZVQPX-UHFFFAOYSA-N 1 2 244.338 2.805 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102992 978794637 /nfs/dbraw/zinc/79/46/37/978794637.db2.gz MCNCJXOWFUHJRV-STQMWFEESA-N 1 2 246.354 2.885 20 0 BFADLO CCC[N@H+](C)Cc1c(Cl)ccnc1F ZINC001179989979 978801170 /nfs/dbraw/zinc/80/11/70/978801170.db2.gz ZHOLLNSUQGAHRW-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CCC[N@@H+](C)Cc1c(Cl)ccnc1F ZINC001179989979 978801173 /nfs/dbraw/zinc/80/11/73/978801173.db2.gz ZHOLLNSUQGAHRW-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CCc1ccc(N2CC[C@H]3OCCC[C@@H]3C2)[nH+]c1 ZINC001339628999 978883182 /nfs/dbraw/zinc/88/31/82/978883182.db2.gz NIMGFTAJKBVKDO-ZIAGYGMSSA-N 1 2 246.354 2.649 20 0 BFADLO Cc1ccc(Nc2ncccc2O)c(C)[nH+]1 ZINC001203366592 979016665 /nfs/dbraw/zinc/01/66/65/979016665.db2.gz BVNKABKDLZQVFT-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Fc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(F)c(F)c1F ZINC001235347169 979030003 /nfs/dbraw/zinc/03/00/03/979030003.db2.gz YTRUEHCTERHMKY-KNVOCYPGSA-N 1 2 245.219 2.695 20 0 BFADLO Fc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(F)c(F)c1F ZINC001235347169 979030008 /nfs/dbraw/zinc/03/00/08/979030008.db2.gz YTRUEHCTERHMKY-KNVOCYPGSA-N 1 2 245.219 2.695 20 0 BFADLO Nc1cc(-c2cc(O)cc(Cl)c2)cc[nH+]1 ZINC001235904761 979198062 /nfs/dbraw/zinc/19/80/62/979198062.db2.gz WUAUZJUJYLNUGC-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Cc1ccc(-n2ccc(N)c3ccnc2-3)c(C)[nH+]1 ZINC001203368273 979324104 /nfs/dbraw/zinc/32/41/04/979324104.db2.gz WLKVGBINFUSOPM-UHFFFAOYSA-N 1 2 238.294 2.571 20 0 BFADLO Cc1ccc(Nc2c(Cl)cnn2C)c(C)[nH+]1 ZINC001203370727 979477487 /nfs/dbraw/zinc/47/74/87/979477487.db2.gz SZOPXURKZJZTIG-UHFFFAOYSA-N 1 2 236.706 2.829 20 0 BFADLO CC(C)C(=O)Nc1ccc(-c2c[nH+]cn2C)cc1 ZINC001236261381 979480416 /nfs/dbraw/zinc/48/04/16/979480416.db2.gz SPKHECBTINTMBQ-UHFFFAOYSA-N 1 2 243.310 2.682 20 0 BFADLO CN(C)c1cc(F)cc(-c2ccc(N)[nH+]c2)c1 ZINC001236312353 979518763 /nfs/dbraw/zinc/51/87/63/979518763.db2.gz MYGDARZQAVAGTQ-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO Cc1cc(-c2ccc(N)[nH+]c2)ccc1N(C)C ZINC001236317407 979529053 /nfs/dbraw/zinc/52/90/53/979529053.db2.gz VFVLLFFDQCUKTN-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO c1cn2c(cccc2C2=CCSCC2)[nH+]1 ZINC001236367090 979562623 /nfs/dbraw/zinc/56/26/23/979562623.db2.gz NUQNHXXITMOSMP-UHFFFAOYSA-N 1 2 216.309 2.855 20 0 BFADLO Cc1ccc(F)c(-c2[nH+]ccc(N)c2C)c1O ZINC001236390207 979574628 /nfs/dbraw/zinc/57/46/28/979574628.db2.gz DHJONLWABQJLSH-UHFFFAOYSA-N 1 2 232.258 2.792 20 0 BFADLO Oc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccc1F ZINC001236701024 979700113 /nfs/dbraw/zinc/70/01/13/979700113.db2.gz AKUSQRWKWMQWGA-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1F ZINC001236701024 979700118 /nfs/dbraw/zinc/70/01/18/979700118.db2.gz AKUSQRWKWMQWGA-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(F)c3ccoc32)C1 ZINC001236889234 979781531 /nfs/dbraw/zinc/78/15/31/979781531.db2.gz BBVBWKQOAPKHBA-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@@H+]1CCOCC12CC2 ZINC001237325368 979867930 /nfs/dbraw/zinc/86/79/30/979867930.db2.gz JTOHXQMDPMUQFW-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@H+]1CCOCC12CC2 ZINC001237325368 979867934 /nfs/dbraw/zinc/86/79/34/979867934.db2.gz JTOHXQMDPMUQFW-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO COC1C[NH+](Cc2c(C)cc(Cl)cc2C)C1 ZINC001237355814 979874119 /nfs/dbraw/zinc/87/41/19/979874119.db2.gz SQGMBDPGMQVIET-UHFFFAOYSA-N 1 2 239.746 2.787 20 0 BFADLO C[N@H+](CCF)Cc1c(Cl)[nH]c2cnccc21 ZINC001237457481 979905209 /nfs/dbraw/zinc/90/52/09/979905209.db2.gz WBUKMMDFHPJCQH-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO C[N@@H+](CCF)Cc1c(Cl)[nH]c2cnccc21 ZINC001237457481 979905218 /nfs/dbraw/zinc/90/52/18/979905218.db2.gz WBUKMMDFHPJCQH-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO COC1C[NH+](Cc2cccc3c(F)cccc23)C1 ZINC001237522961 979926540 /nfs/dbraw/zinc/92/65/40/979926540.db2.gz PRFBWHUHHARLLP-UHFFFAOYSA-N 1 2 245.297 2.810 20 0 BFADLO O=C1CC[N@H+](Cc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC001203270674 979943176 /nfs/dbraw/zinc/94/31/76/979943176.db2.gz MPGFXLMMQIGAAS-CHWSQXEVSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccco2)[C@@H]2CCCC[C@@H]12 ZINC001203270674 979943181 /nfs/dbraw/zinc/94/31/81/979943181.db2.gz MPGFXLMMQIGAAS-CHWSQXEVSA-N 1 2 233.311 2.613 20 0 BFADLO CCn1cncc1C[N@H+](Cc1ccco1)C1CC1 ZINC001237596425 979953807 /nfs/dbraw/zinc/95/38/07/979953807.db2.gz YFGLPTYSUAPLEI-UHFFFAOYSA-N 1 2 245.326 2.661 20 0 BFADLO CCn1cncc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001237596425 979953813 /nfs/dbraw/zinc/95/38/13/979953813.db2.gz YFGLPTYSUAPLEI-UHFFFAOYSA-N 1 2 245.326 2.661 20 0 BFADLO OCc1cc(-c2ccc3[nH+]ccn3c2)cs1 ZINC001205290498 979958567 /nfs/dbraw/zinc/95/85/67/979958567.db2.gz PFLCMOUTRGDXNG-UHFFFAOYSA-N 1 2 230.292 2.555 20 0 BFADLO CCc1[nH]ncc1C[NH+]1CC2(C1)CCCCC2 ZINC001237657536 980021144 /nfs/dbraw/zinc/02/11/44/980021144.db2.gz FXEUUFZXZXVPGW-UHFFFAOYSA-N 1 2 233.359 2.738 20 0 BFADLO COc1ccc(C)c(C[NH+]2CC(OC(C)C)C2)c1 ZINC001237715755 980039935 /nfs/dbraw/zinc/03/99/35/980039935.db2.gz MXDVKYBXKIQUGM-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1csc(CO)c1 ZINC001205297920 980092816 /nfs/dbraw/zinc/09/28/16/980092816.db2.gz PJQSLVDHFSCGEF-UHFFFAOYSA-N 1 2 244.319 2.864 20 0 BFADLO Oc1c(F)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC001237984084 980120480 /nfs/dbraw/zinc/12/04/80/980120480.db2.gz LZYBUDKYSRIWNM-DTORHVGOSA-N 1 2 241.693 2.636 20 0 BFADLO Oc1c(F)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC001237984084 980120484 /nfs/dbraw/zinc/12/04/84/980120484.db2.gz LZYBUDKYSRIWNM-DTORHVGOSA-N 1 2 241.693 2.636 20 0 BFADLO CCn1nccc1Nc1ccc2c(c1)[nH+]cn2C ZINC001205311213 980122666 /nfs/dbraw/zinc/12/26/66/980122666.db2.gz SATPHTATMDPADZ-UHFFFAOYSA-N 1 2 241.298 2.533 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1cncnc1C)C2 ZINC001238163517 980193156 /nfs/dbraw/zinc/19/31/56/980193156.db2.gz HHRAJFADBKJTLW-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1cncnc1C)C2 ZINC001238163517 980193159 /nfs/dbraw/zinc/19/31/59/980193159.db2.gz HHRAJFADBKJTLW-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1[nH]c2ccc(C[C@@H]3COC(C)(C)O3)cc2[nH+]1 ZINC001250184876 980216122 /nfs/dbraw/zinc/21/61/22/980216122.db2.gz GYKVKIKQUKSCLS-LLVKDONJSA-N 1 2 246.310 2.565 20 0 BFADLO Cc1[nH]c2ccc(C[C@H]3COC(C)(C)O3)cc2[nH+]1 ZINC001250184877 980217382 /nfs/dbraw/zinc/21/73/82/980217382.db2.gz GYKVKIKQUKSCLS-NSHDSACASA-N 1 2 246.310 2.565 20 0 BFADLO Cc1nc(N(C)[C@@H](C)Cc2cccs2)cc[nH+]1 ZINC001185640096 980262259 /nfs/dbraw/zinc/26/22/59/980262259.db2.gz NSDRNOKMIKTKOG-JTQLQIEISA-N 1 2 247.367 2.914 20 0 BFADLO CCc1cc(N2CC[C@H](C)[C@@H]2C)nc(CC)[nH+]1 ZINC001185659406 980264738 /nfs/dbraw/zinc/26/47/38/980264738.db2.gz WYTZYAAQGUMQKQ-QWRGUYRKSA-N 1 2 233.359 2.836 20 0 BFADLO Fc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1C1CC1 ZINC001238511765 980281745 /nfs/dbraw/zinc/28/17/45/980281745.db2.gz NKJCQEUCHGWJSR-STQMWFEESA-N 1 2 247.313 2.676 20 0 BFADLO Fc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1C1CC1 ZINC001238511765 980281754 /nfs/dbraw/zinc/28/17/54/980281754.db2.gz NKJCQEUCHGWJSR-STQMWFEESA-N 1 2 247.313 2.676 20 0 BFADLO COc1ccc[nH+]c1NCc1cccn1C1CC1 ZINC001344060485 980330166 /nfs/dbraw/zinc/33/01/66/980330166.db2.gz CEPPLKJHEFDADT-UHFFFAOYSA-N 1 2 243.310 2.839 20 0 BFADLO OCCc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001239030976 980416436 /nfs/dbraw/zinc/41/64/36/980416436.db2.gz RWYWUCICGDVTFK-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO COc1cc(SC)c(/C(C)=C/C=C/[NH3+])cn1 ZINC001239060186 980431086 /nfs/dbraw/zinc/43/10/86/980431086.db2.gz FBVUZILDFTWVEJ-REZHQCRGSA-N 1 2 236.340 2.688 20 0 BFADLO COc1ncccc1Nc1cc(C)c[nH+]c1C ZINC001203654284 980479767 /nfs/dbraw/zinc/47/97/67/980479767.db2.gz FXCRPYMDLCTCAU-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2noc3cnccc32)c1 ZINC001203656443 980487932 /nfs/dbraw/zinc/48/79/32/980487932.db2.gz TXINXXKJJXOLTL-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO CSc1ncc(Nc2cc(C)c[nH+]c2C)cn1 ZINC001203656888 980490994 /nfs/dbraw/zinc/49/09/94/980490994.db2.gz BNMMBTWKCCSJEW-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO CNc1ccc(-c2cc3[nH]ccc3c[nH+]2)c(F)n1 ZINC001239398662 980559190 /nfs/dbraw/zinc/55/91/90/980559190.db2.gz LCHDGEIPLINXAE-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO CN(C)c1cc(-c2ccc(F)cc2)cc[nH+]1 ZINC001239474320 980608170 /nfs/dbraw/zinc/60/81/70/980608170.db2.gz MXQFKSUXFWEWFU-UHFFFAOYSA-N 1 2 216.259 2.954 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC001239484139 980632855 /nfs/dbraw/zinc/63/28/55/980632855.db2.gz KHENHNQXCHESFB-UHFFFAOYSA-N 1 2 228.295 2.823 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1CCCCC1 ZINC001345591726 980640866 /nfs/dbraw/zinc/64/08/66/980640866.db2.gz USBMBKMQVHGGCE-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO CC(=O)Nc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001239530862 980701809 /nfs/dbraw/zinc/70/18/09/980701809.db2.gz XHRVBPWKWJJXRC-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO c1cc2cc(CCn3cc[nH+]c3)ccc2[nH]1 ZINC001250315063 980752913 /nfs/dbraw/zinc/75/29/13/980752913.db2.gz CXSFFXOWEDQQJR-UHFFFAOYSA-N 1 2 211.268 2.607 20 0 BFADLO Fc1ccc2[nH]c(CCn3cc[nH+]c3)cc2c1 ZINC001250320795 980763053 /nfs/dbraw/zinc/76/30/53/980763053.db2.gz QCJXFWDXTIACTQ-UHFFFAOYSA-N 1 2 229.258 2.746 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccncc1 ZINC001239610500 980808018 /nfs/dbraw/zinc/80/80/18/980808018.db2.gz KUDOXJYJKWWSRO-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CCc1nc(OC)ccc1-c1c[nH+]c(N)c(C)c1 ZINC001239777009 980911709 /nfs/dbraw/zinc/91/17/09/980911709.db2.gz BUUDWKQTCGCVPN-UHFFFAOYSA-N 1 2 243.310 2.605 20 0 BFADLO CC(=O)Nc1ccccc1/C(C)=C/C=C/[NH3+] ZINC001239779027 980911922 /nfs/dbraw/zinc/91/19/22/980911922.db2.gz IHABQMPKKPNUSB-NXZHAISVSA-N 1 2 216.284 2.521 20 0 BFADLO Cc1cnc(C)c(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001239899670 981024571 /nfs/dbraw/zinc/02/45/71/981024571.db2.gz FTHXEEFRBMAZNG-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO COc1cncc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001239929991 981040457 /nfs/dbraw/zinc/04/04/57/981040457.db2.gz CHCPPBVYQFYSRY-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO Cn1ccc2cc(-c3ccc[nH+]c3N)ccc21 ZINC001239940821 981050966 /nfs/dbraw/zinc/05/09/66/981050966.db2.gz PXFPRAULBVUFMB-UHFFFAOYSA-N 1 2 223.279 2.823 20 0 BFADLO CCCc1[nH]c2cc(F)c(OC)cc2[nH+]1 ZINC001250426323 981062853 /nfs/dbraw/zinc/06/28/53/981062853.db2.gz SFCOSJMAGQQNLE-UHFFFAOYSA-N 1 2 208.236 2.663 20 0 BFADLO CCCc1[nH]c2cc(OC)c(F)cc2[nH+]1 ZINC001250426323 981062858 /nfs/dbraw/zinc/06/28/58/981062858.db2.gz SFCOSJMAGQQNLE-UHFFFAOYSA-N 1 2 208.236 2.663 20 0 BFADLO Cc1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001239974782 981077307 /nfs/dbraw/zinc/07/73/07/981077307.db2.gz WZQTXBHFIFPWGL-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1cn(-c2ccc(Nc3cnoc3)cc2)c[nH+]1 ZINC001203237780 981081299 /nfs/dbraw/zinc/08/12/99/981081299.db2.gz JKNGQJGCJAXCLG-UHFFFAOYSA-N 1 2 226.239 2.604 20 0 BFADLO COc1ccc(C)nc1-c1ccc2[nH+]ccn2c1 ZINC001240214251 981161881 /nfs/dbraw/zinc/16/18/81/981161881.db2.gz MXAILHGPGDUGIH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CC(C)c1cncnc1-c1ccc2[nH+]ccn2c1 ZINC001240215545 981163539 /nfs/dbraw/zinc/16/35/39/981163539.db2.gz YODBZMQVVHPBHP-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Fc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240216005 981163741 /nfs/dbraw/zinc/16/37/41/981163741.db2.gz ZNLRBBNXCOBGKO-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO c1cn2cc(-c3ccnc(C4CC4)n3)ccc2[nH+]1 ZINC001240214568 981164513 /nfs/dbraw/zinc/16/45/13/981164513.db2.gz NRTNJTLNCSQEHV-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO Cc1nc2[nH]ccc2c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240215369 981164874 /nfs/dbraw/zinc/16/48/74/981164874.db2.gz YEAUYHCBFACIOH-UHFFFAOYSA-N 1 2 249.277 2.533 20 0 BFADLO c1cc2ncc(-c3ccc4[nH+]ccn4c3)cc2[nH]1 ZINC001240217402 981166375 /nfs/dbraw/zinc/16/63/75/981166375.db2.gz BKFFUQDSIQHICP-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2cc(-c3cccc4ncncc43)ccc2[nH+]1 ZINC001240217906 981166922 /nfs/dbraw/zinc/16/69/22/981166922.db2.gz QEZSLUWCGBRBEB-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cc(C)cnc1-c1ccc2[nH+]ccn2c1 ZINC001240216871 981167364 /nfs/dbraw/zinc/16/73/64/981167364.db2.gz PRBTUNAJTVYKOA-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1c2nc[nH]c2ncc1-c1ccc2[nH+]ccn2c1 ZINC001240218204 981168030 /nfs/dbraw/zinc/16/80/30/981168030.db2.gz GDKTVLBBJOHYDO-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cn1ccc2cc(-c3ccc4[nH+]ccn4c3)cnc21 ZINC001240219139 981169310 /nfs/dbraw/zinc/16/93/10/981169310.db2.gz BVEOWUBVIFXFAZ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO c1cn2cc(-c3ccc4nonc4c3)ccc2[nH+]1 ZINC001240219875 981169425 /nfs/dbraw/zinc/16/94/25/981169425.db2.gz YKWKZXDWAAXBDO-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO c1cn2cc(-c3cnc4ccncc4c3)ccc2[nH+]1 ZINC001240218981 981169831 /nfs/dbraw/zinc/16/98/31/981169831.db2.gz SNJMRUIKGRQEKM-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Nc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240219137 981169953 /nfs/dbraw/zinc/16/99/53/981169953.db2.gz BRKPKTUZISKTHP-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1cn2cc(-c3ccc4[nH+]ccn4c3)ccc2n1 ZINC001240219344 981169984 /nfs/dbraw/zinc/16/99/84/981169984.db2.gz HJQUCZBNWJNHBG-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO c1cn2cc(-c3ccnc4ncccc43)ccc2[nH+]1 ZINC001240219072 981170164 /nfs/dbraw/zinc/17/01/64/981170164.db2.gz XMTGWQBMYPTKDX-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cncc4cccnc43)ccc2[nH+]1 ZINC001240219386 981170305 /nfs/dbraw/zinc/17/03/05/981170305.db2.gz JQPHBRZUWDSSSS-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cccc4cnncc43)ccc2[nH+]1 ZINC001240219103 981171610 /nfs/dbraw/zinc/17/16/10/981171610.db2.gz ZSIZSRHWWGRDTF-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Fc1cc(-c2ccc3[nH+]ccn3c2)cc(F)n1 ZINC001240219917 981172765 /nfs/dbraw/zinc/17/27/65/981172765.db2.gz ZXNXAKCGZWKAOQ-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO Fc1cncc(-c2[nH+]ccc3[nH]ccc32)c1 ZINC001240233305 981188705 /nfs/dbraw/zinc/18/87/05/981188705.db2.gz OEHMEDIXPCGCEW-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2C)ccn1 ZINC001240258241 981233196 /nfs/dbraw/zinc/23/31/96/981233196.db2.gz FQXHJRPSJNQOOP-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCc1ccc(N2CC[C@H](C)[C@H](F)C2)[nH+]c1 ZINC001348074286 981273047 /nfs/dbraw/zinc/27/30/47/981273047.db2.gz SJLXAWNFOLCYNA-CMPLNLGQSA-N 1 2 222.307 2.828 20 0 BFADLO Cc1cc(F)cc(N(C)CC2=CCSC2)[nH+]1 ZINC001348259938 981320278 /nfs/dbraw/zinc/32/02/78/981320278.db2.gz NDUANJBDYMWEIG-UHFFFAOYSA-N 1 2 238.331 2.639 20 0 BFADLO Cc1cc(-c2cccc(C(C)(C)O)c2)c[nH+]c1N ZINC001240407578 981359194 /nfs/dbraw/zinc/35/91/94/981359194.db2.gz HBEDLHUNQHOFQO-UHFFFAOYSA-N 1 2 242.322 2.867 20 0 BFADLO c1cc2c(nccc2-c2cccc3[nH+]ccn32)[nH]1 ZINC001240413948 981362992 /nfs/dbraw/zinc/36/29/92/981362992.db2.gz UKJVTPYXHPLUTI-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1ccc(F)c(F)c1/C(C)=C/C=C/[NH3+] ZINC001240434072 981387751 /nfs/dbraw/zinc/38/77/51/981387751.db2.gz SZWTUINSSMCQPV-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO Cc1cc2cc(-c3ccc[nH+]c3N)cnc2[nH]1 ZINC001240482212 981410742 /nfs/dbraw/zinc/41/07/42/981410742.db2.gz QWMRTSASXQLBIT-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CNc1cc(-c2cnc3[nH]c(C)cc3c2)cc[nH+]1 ZINC001240488001 981411632 /nfs/dbraw/zinc/41/16/32/981411632.db2.gz JAQOYQWSABJHQP-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO c1cn2ccc(-c3nccc4ncccc43)cc2[nH+]1 ZINC001240496135 981415999 /nfs/dbraw/zinc/41/59/99/981415999.db2.gz HYJBQAQDAICMNR-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1ccc(C)nc1-c1ccn2cc[nH+]c2c1 ZINC001240496698 981418191 /nfs/dbraw/zinc/41/81/91/981418191.db2.gz QSJOTMYPTHCPBB-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2ccc(-c3cnc4ccccc4n3)cc2[nH+]1 ZINC001240497097 981418889 /nfs/dbraw/zinc/41/88/89/981418889.db2.gz SSZCWCIAYPYICO-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCOc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496685 981418932 /nfs/dbraw/zinc/41/89/32/981418932.db2.gz PWNZSIOHEKTJIC-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO COc1ncc(-c2ccn3cc[nH+]c3c2)cc1C ZINC001240503144 981430480 /nfs/dbraw/zinc/43/04/80/981430480.db2.gz HQIIEEVXJOBFOW-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccn2ccnc2c1 ZINC001240509427 981433603 /nfs/dbraw/zinc/43/36/03/981433603.db2.gz YZIJONNSOLYTRO-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO CCC(CC)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001349034546 981500531 /nfs/dbraw/zinc/50/05/31/981500531.db2.gz NSJTVMYSWHFNGC-UHFFFAOYSA-N 1 2 238.331 2.598 20 0 BFADLO Cc1cc(O)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001240645633 981543263 /nfs/dbraw/zinc/54/32/63/981543263.db2.gz USUGIHTYRDDXAB-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO CNc1cc(-c2ccc(O)cc2C)cc[nH+]1 ZINC001240646109 981544062 /nfs/dbraw/zinc/54/40/62/981544062.db2.gz UGJBAQDJFVYMSF-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CCn1nccc1-c1cc(C)c2[nH+]ccn2c1 ZINC001240703479 981660754 /nfs/dbraw/zinc/66/07/54/981660754.db2.gz VGAMRFFXYQZWKX-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO c1nsnc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001349761109 981704525 /nfs/dbraw/zinc/70/45/25/981704525.db2.gz UVCCNIZVRFYHEX-MNOVXSKESA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001349761109 981704551 /nfs/dbraw/zinc/70/45/51/981704551.db2.gz UVCCNIZVRFYHEX-MNOVXSKESA-N 1 2 237.372 2.550 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)CCCO2 ZINC001240773397 981817192 /nfs/dbraw/zinc/81/71/92/981817192.db2.gz OTNKBGGUQSYXBU-QCNCOMHOSA-N 1 2 215.296 2.887 20 0 BFADLO Nc1[nH+]cccc1-c1cncc(C(F)(F)F)c1 ZINC001240792517 981834472 /nfs/dbraw/zinc/83/44/72/981834472.db2.gz ZQQZGNLTRCPDNS-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001349985883 981838655 /nfs/dbraw/zinc/83/86/55/981838655.db2.gz KMAILGUVYJASML-MNOVXSKESA-N 1 2 237.347 2.815 20 0 BFADLO Cc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001240802661 981854057 /nfs/dbraw/zinc/85/40/57/981854057.db2.gz DNQHOFNUNYROFG-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])cc1C ZINC001240864845 981909743 /nfs/dbraw/zinc/90/97/43/981909743.db2.gz JRMLBVGSWGRNHX-DXNUHORPSA-N 1 2 203.285 2.879 20 0 BFADLO Sc1cccc(C=C2CC[NH2+]CC2)c1 ZINC001240875343 981922221 /nfs/dbraw/zinc/92/22/21/981922221.db2.gz GWOKSPRGLKIAJI-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO CC(C)Cn1cc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001240894313 981946682 /nfs/dbraw/zinc/94/66/82/981946682.db2.gz VWQWFPQSYPKVKO-UHFFFAOYSA-N 1 2 242.326 2.569 20 0 BFADLO Cn1c[nH+]cc1-c1cccc2ncccc21 ZINC001240937466 982012133 /nfs/dbraw/zinc/01/21/33/982012133.db2.gz VNDFQGJPPULWOK-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1N ZINC001240965205 982043455 /nfs/dbraw/zinc/04/34/55/982043455.db2.gz GXDQYFBILKLGJD-UHFFFAOYSA-N 1 2 239.322 2.640 20 0 BFADLO CC[C@H](C)OC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001195076262 982052893 /nfs/dbraw/zinc/05/28/93/982052893.db2.gz JOCJGOVYGXYQDI-VIFPVBQESA-N 1 2 233.271 2.681 20 0 BFADLO CN(C)c1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001240985164 982068068 /nfs/dbraw/zinc/06/80/68/982068068.db2.gz TYDCKDHLFSRNKN-UHFFFAOYSA-N 1 2 241.338 2.881 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccccc1O ZINC001241014118 982107467 /nfs/dbraw/zinc/10/74/67/982107467.db2.gz VHDJXRJHLWJJNG-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO CCOc1cc(F)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241025153 982119237 /nfs/dbraw/zinc/11/92/37/982119237.db2.gz SQOOQPYSJOBLHD-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO COc1cc(-c2ccc(C)c(N)[nH+]2)ccc1C ZINC001241034397 982135830 /nfs/dbraw/zinc/13/58/30/982135830.db2.gz MKAFATXPWQWZRF-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCOc1cc(-c2cc[nH+]c(N)c2)ccc1F ZINC001241069549 982186920 /nfs/dbraw/zinc/18/69/20/982186920.db2.gz QUFDQNVOPLEFSU-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO CCOc1ccc(-c2ccc(N)[nH+]c2)cc1F ZINC001241087416 982201071 /nfs/dbraw/zinc/20/10/71/982201071.db2.gz RWYBYFKJSVPJIV-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO OCc1ccc(F)c(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001241148569 982278335 /nfs/dbraw/zinc/27/83/35/982278335.db2.gz SVLFMZGXMAKHFT-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO CCOC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241162801 982302108 /nfs/dbraw/zinc/30/21/08/982302108.db2.gz MKJVQMUWDGHQIL-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO Cc1nc2cc(-c3cc[nH+]c(N)c3)cnc2s1 ZINC001241163313 982304429 /nfs/dbraw/zinc/30/44/29/982304429.db2.gz UEDXRUHVOOKFPX-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO CN(C)c1cc(F)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241163907 982306898 /nfs/dbraw/zinc/30/68/98/982306898.db2.gz UQVFHRRJDBHVTG-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO COc1cc(-c2cc[nH+]c(N)c2)cc2[nH]ccc21 ZINC001241170535 982317571 /nfs/dbraw/zinc/31/75/71/982317571.db2.gz MZDLICQGQCDZLE-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)cc(F)cc1F ZINC001241172506 982323518 /nfs/dbraw/zinc/32/35/18/982323518.db2.gz UCWCGYJQWIGAKC-JKEDICHKSA-N 1 2 213.202 2.980 20 0 BFADLO Cc1cc(-c2ccncc2F)c2[nH+]ccn2c1 ZINC001241226559 982374266 /nfs/dbraw/zinc/37/42/66/982374266.db2.gz JRWFZYDSHGARSV-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Oc1ccc(F)c(-c2cccc3[nH+]ccn32)c1F ZINC001241292872 982436010 /nfs/dbraw/zinc/43/60/10/982436010.db2.gz LABSGGCNHKQRFN-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CCOc1cc(F)ccc1-c1ccc[nH+]c1N ZINC001241319817 982481602 /nfs/dbraw/zinc/48/16/02/982481602.db2.gz UYIMMNHFXKFVDL-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO CC(=CC=C[NH3+])c1cc2c[nH]nc2c(C)c1 ZINC001241515848 982674212 /nfs/dbraw/zinc/67/42/12/982674212.db2.gz YDGSPOONZRPSLY-BMVOEDMYSA-N 1 2 213.284 2.747 20 0 BFADLO Cc1cn2c(cccc2-c2ncccc2F)[nH+]1 ZINC001241534302 982703680 /nfs/dbraw/zinc/70/36/80/982703680.db2.gz DCGSSPJRNCXSTR-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CNc1cc(-c2ccc3nn(C)cc3c2)cc[nH+]1 ZINC001241606810 982847298 /nfs/dbraw/zinc/84/72/98/982847298.db2.gz HHQTVFXPHNDNOI-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO COc1cc(-c2cccc3[nH+]ccn32)c(F)cn1 ZINC001241664238 982898848 /nfs/dbraw/zinc/89/88/48/982898848.db2.gz SMQSWKITVVZWLE-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CNc1cc(-c2ccc3[nH]nc(C)c3c2)cc[nH+]1 ZINC001241670429 982912441 /nfs/dbraw/zinc/91/24/41/982912441.db2.gz IUEVHZDXTASEAP-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO CC(=O)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC000082293826 982979988 /nfs/dbraw/zinc/97/99/88/982979988.db2.gz CXDKSZICOWJBJV-UHFFFAOYSA-N 1 2 227.267 2.610 20 0 BFADLO c1nn(C2CCC2)cc1-c1cc[nH+]c2c1CCN2 ZINC001241725566 983010958 /nfs/dbraw/zinc/01/09/58/983010958.db2.gz QYJQSLIQDNDZQJ-UHFFFAOYSA-N 1 2 240.310 2.638 20 0 BFADLO CCc1cc(OC)ccc1C[NH2+]Cc1ccon1 ZINC001200853219 983103369 /nfs/dbraw/zinc/10/33/69/983103369.db2.gz DXHGNKSGEXNYME-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO Nc1ccc(Nc2cc(-c3ccco3)no2)c[nH+]1 ZINC001201279585 983157448 /nfs/dbraw/zinc/15/74/48/983157448.db2.gz XRQSDNRHADMHQU-UHFFFAOYSA-N 1 2 242.238 2.655 20 0 BFADLO Nc1ccc(Nc2scnc2C2CC2)c[nH+]1 ZINC001201283665 983158552 /nfs/dbraw/zinc/15/85/52/983158552.db2.gz CDQOHVCEWUFNGG-UHFFFAOYSA-N 1 2 232.312 2.741 20 0 BFADLO Nc1ccc(Nc2cccc(C3CC3)n2)c[nH+]1 ZINC001201279923 983158682 /nfs/dbraw/zinc/15/86/82/983158682.db2.gz WGIPOZWLOVLPOK-UHFFFAOYSA-N 1 2 226.283 2.680 20 0 BFADLO Cc1cc(F)cc(Nc2ccc(N)[nH+]c2)c1O ZINC001201285982 983160302 /nfs/dbraw/zinc/16/03/02/983160302.db2.gz UABAIBFUGRNJKQ-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1noc2ccc(Nc3ccc(N)[nH+]c3)cc12 ZINC001201285764 983160563 /nfs/dbraw/zinc/16/05/63/983160563.db2.gz PASMLRQWVGYZQG-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO CCc1ccc(O)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201286899 983163566 /nfs/dbraw/zinc/16/35/66/983163566.db2.gz GTLHJXLGIZAZBX-UHFFFAOYSA-N 1 2 229.283 2.675 20 0 BFADLO Nc1ccc(Nc2ccc(CO)c(Cl)c2)c[nH+]1 ZINC001201291778 983168988 /nfs/dbraw/zinc/16/89/88/983168988.db2.gz CDMNTLXDUKYPII-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cn1ccc2c1cccc2Nc1ccc(N)[nH+]c1 ZINC001201292905 983171191 /nfs/dbraw/zinc/17/11/91/983171191.db2.gz UKHWJMLVLRLYDS-UHFFFAOYSA-N 1 2 238.294 2.899 20 0 BFADLO CC(C)(C)Cc1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201272580 983172178 /nfs/dbraw/zinc/17/21/78/983172178.db2.gz QVEGPALBGXRERD-UHFFFAOYSA-N 1 2 246.314 2.984 20 0 BFADLO Nc1ccc(Nc2cc3ccccc3cn2)c[nH+]1 ZINC001201275320 983174988 /nfs/dbraw/zinc/17/49/88/983174988.db2.gz AEJHLRHXNPUGGF-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Nc1ccc(Nc2cc(F)cnc2Cl)c[nH+]1 ZINC001201278768 983178029 /nfs/dbraw/zinc/17/80/29/983178029.db2.gz NMCRJOBFZJSNOS-UHFFFAOYSA-N 1 2 238.653 2.595 20 0 BFADLO CCOc1cc(Nc2ccc(N)[nH+]c2)cc(C)n1 ZINC001201278517 983178747 /nfs/dbraw/zinc/17/87/47/983178747.db2.gz KKLPKDHRMZUARO-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO Cc1cc(-c2ccc3ncnn3c2C)cc(C)[nH+]1 ZINC001241992064 983184455 /nfs/dbraw/zinc/18/44/55/983184455.db2.gz FYIJCAXHLDSGPT-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO Cc1cc(-c2ccn3cc(N)[nH+]c3c2)cc(C)n1 ZINC001241992347 983186068 /nfs/dbraw/zinc/18/60/68/983186068.db2.gz MENKAECBLBJEDC-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1cccc(CN(C)c2cc(F)cc(C)[nH+]2)n1 ZINC001354214061 983198131 /nfs/dbraw/zinc/19/81/31/983198131.db2.gz UMEYZDAKDUMXDI-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1ccc2cc(-c3[nH]cc[nH+]3)ccc2n1 ZINC001242014446 983211784 /nfs/dbraw/zinc/21/17/84/983211784.db2.gz MDGCETVOIUFPQW-UHFFFAOYSA-N 1 2 209.252 2.933 20 0 BFADLO CC[C@@H](C(=O)OC)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242017702 983219388 /nfs/dbraw/zinc/21/93/88/983219388.db2.gz TVAHOKPXITUEEQ-GFCCVEGCSA-N 1 2 244.294 2.743 20 0 BFADLO CCc1cc(-c2[nH]cc[nH+]2)ccc1NC(C)=O ZINC001242018412 983221399 /nfs/dbraw/zinc/22/13/99/983221399.db2.gz MKZKXTMBKZDZCD-UHFFFAOYSA-N 1 2 229.283 2.598 20 0 BFADLO CO[C@H](C)c1cccc(-c2c[nH+]cn2C)c1 ZINC001242023127 983232054 /nfs/dbraw/zinc/23/20/54/983232054.db2.gz CUDXJUPCZSPYNM-SNVBAGLBSA-N 1 2 216.284 2.795 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2ccnn2C)cc1 ZINC001201488478 983256423 /nfs/dbraw/zinc/25/64/23/983256423.db2.gz RLRJPRGKLANVKT-UHFFFAOYSA-N 1 2 230.315 2.984 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncnc2ccsc21 ZINC001242070609 983303411 /nfs/dbraw/zinc/30/34/11/983303411.db2.gz FQNVYJKMLTUFBU-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2ccoc21 ZINC001242070760 983303780 /nfs/dbraw/zinc/30/37/80/983303780.db2.gz KYFFEDNVPSVFSN-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2cc[nH]c21 ZINC001242070531 983304400 /nfs/dbraw/zinc/30/44/00/983304400.db2.gz AXNAQAYHSPTXMO-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CC[C@@H](C)C[N@H+]1Cc2nc(C)sc2C1 ZINC001201516984 983312927 /nfs/dbraw/zinc/31/29/27/983312927.db2.gz IQXKOUUQAVOBHH-MRVPVSSYSA-N 1 2 210.346 2.813 20 0 BFADLO CC[C@@H](C)C[N@@H+]1Cc2nc(C)sc2C1 ZINC001201516984 983312937 /nfs/dbraw/zinc/31/29/37/983312937.db2.gz IQXKOUUQAVOBHH-MRVPVSSYSA-N 1 2 210.346 2.813 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1cccc2nc[nH]c21 ZINC001242084254 983331987 /nfs/dbraw/zinc/33/19/87/983331987.db2.gz NFYWVJCBIMZERO-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnn(Cc2cccs2)c1 ZINC001242093020 983338647 /nfs/dbraw/zinc/33/86/47/983338647.db2.gz YTSLJKBIDRTCGN-JBWZJWTJSA-N 1 2 245.351 2.869 20 0 BFADLO Cc1ccc(-c2ccc(O)c(C)c2)[nH+]c1N ZINC001242104217 983345897 /nfs/dbraw/zinc/34/58/97/983345897.db2.gz FKZZPERVTKXMSN-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1O ZINC001242113902 983360376 /nfs/dbraw/zinc/36/03/76/983360376.db2.gz KGKLKWHGPQBRJF-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO CCCC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252082377 983400504 /nfs/dbraw/zinc/40/05/04/983400504.db2.gz HIOUQIYYFGHNTN-QWRGUYRKSA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252082377 983400510 /nfs/dbraw/zinc/40/05/10/983400510.db2.gz HIOUQIYYFGHNTN-QWRGUYRKSA-N 1 2 235.318 2.515 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(OCC2CC2)nc1 ZINC001242214844 983409749 /nfs/dbraw/zinc/40/97/49/983409749.db2.gz SVHNRZVZGXXLLL-UHFFFAOYSA-N 1 2 241.294 2.515 20 0 BFADLO FC(F)n1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001201724486 983427799 /nfs/dbraw/zinc/42/77/99/983427799.db2.gz UXEFHVFQOATMRP-UHFFFAOYSA-N 1 2 249.224 2.670 20 0 BFADLO CCCCCC[N@@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201743176 983450910 /nfs/dbraw/zinc/45/09/10/983450910.db2.gz MFSISZYKBIFWFL-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@H+]1CC(F)(F)C[C@@]1(C)CO ZINC001201743176 983450919 /nfs/dbraw/zinc/45/09/19/983450919.db2.gz MFSISZYKBIFWFL-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO OCc1ccc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001242340409 983585688 /nfs/dbraw/zinc/58/56/88/983585688.db2.gz QJDSLYDYKPRYKQ-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO OCc1ccc(F)cc1-c1cc2[nH]ccc2c[nH+]1 ZINC001242338540 983586300 /nfs/dbraw/zinc/58/63/00/983586300.db2.gz UQBIAUKVANKRAM-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO C[N@@H+](CCCC(F)(F)F)CC(F)F ZINC001202444999 983661866 /nfs/dbraw/zinc/66/18/66/983661866.db2.gz SAJGITKVZHWFAL-UHFFFAOYSA-N 1 2 205.170 2.526 20 0 BFADLO OCc1ccc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001242341298 983590345 /nfs/dbraw/zinc/59/03/45/983590345.db2.gz XRMSYMROQREFDY-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2cccc(F)c2)n1C ZINC001202223097 983604210 /nfs/dbraw/zinc/60/42/10/983604210.db2.gz RTKPQJYOLJJETF-UHFFFAOYSA-N 1 2 248.261 2.512 20 0 BFADLO Oc1c(Cl)cccc1-c1cc[nH+]c2c1CCN2 ZINC001242368289 983661445 /nfs/dbraw/zinc/66/14/45/983661445.db2.gz XIWVBUJASHWEKI-UHFFFAOYSA-N 1 2 246.697 2.718 20 0 BFADLO C[N@H+](CCCC(F)(F)F)CC(F)F ZINC001202444999 983661860 /nfs/dbraw/zinc/66/18/60/983661860.db2.gz SAJGITKVZHWFAL-UHFFFAOYSA-N 1 2 205.170 2.526 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OC(F)F)cc1 ZINC001242440006 983745946 /nfs/dbraw/zinc/74/59/46/983745946.db2.gz XAAZXRUJHHKPOV-UHFFFAOYSA-N 1 2 224.210 2.689 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000379822227 983757793 /nfs/dbraw/zinc/75/77/93/983757793.db2.gz TUTNAWMGJNDQKJ-AAEUAGOBSA-N 1 2 231.343 2.892 20 0 BFADLO COc1c(F)cccc1-c1cc[nH+]c2c1CCN2 ZINC001242486060 983813421 /nfs/dbraw/zinc/81/34/21/983813421.db2.gz SSMVROIZGIENEO-UHFFFAOYSA-N 1 2 244.269 2.507 20 0 BFADLO CCc1cn(Cc2ccc(OC)c(F)c2)c[nH+]1 ZINC001559465969 983922739 /nfs/dbraw/zinc/92/27/39/983922739.db2.gz HXJZKDDROJIYRJ-UHFFFAOYSA-N 1 2 234.274 2.642 20 0 BFADLO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC000149868960 983955506 /nfs/dbraw/zinc/95/55/06/983955506.db2.gz WTJJUZXXYMXSDZ-AOOOYVTPSA-N 1 2 249.276 2.915 20 0 BFADLO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC000149868960 983955515 /nfs/dbraw/zinc/95/55/15/983955515.db2.gz WTJJUZXXYMXSDZ-AOOOYVTPSA-N 1 2 249.276 2.915 20 0 BFADLO Cc1c(-c2c[nH]c(=O)c(F)c2)ccc2[nH+]ccn21 ZINC001242617280 984002052 /nfs/dbraw/zinc/00/20/52/984002052.db2.gz ODPNWIKHPNXYIX-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO CNc1cc(-c2cc(C)nc(OC)c2)cc[nH+]1 ZINC001242748346 984105257 /nfs/dbraw/zinc/10/52/57/984105257.db2.gz DCMNZNJISDQFGG-UHFFFAOYSA-N 1 2 229.283 2.502 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1OC1CC1 ZINC001242793324 984167360 /nfs/dbraw/zinc/16/73/60/984167360.db2.gz MQXBIROGYKJELV-UHFFFAOYSA-N 1 2 226.279 2.872 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1cccc(S)c1 ZINC001242866273 984212082 /nfs/dbraw/zinc/21/20/82/984212082.db2.gz QPIGMHPVVIREPZ-UHFFFAOYSA-N 1 2 216.309 2.928 20 0 BFADLO COc1cc(C)[nH+]cc1-c1nccs1 ZINC001242896736 984255719 /nfs/dbraw/zinc/25/57/19/984255719.db2.gz QAKANCXAICXUJQ-UHFFFAOYSA-N 1 2 206.270 2.522 20 0 BFADLO COc1ccc(-c2cccc3[nH+]ccn32)c(C)n1 ZINC001242926770 984299713 /nfs/dbraw/zinc/29/97/13/984299713.db2.gz TYCJGGLOCMEBFS-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(N2CCCCC2)nc1 ZINC001240586090 984319748 /nfs/dbraw/zinc/31/97/48/984319748.db2.gz ZOCCUPXAUFDBOY-PMHYKQBESA-N 1 2 243.354 2.948 20 0 BFADLO Cc1c(CO)cccc1-c1ccn2cc[nH+]c2c1 ZINC001243014967 984370981 /nfs/dbraw/zinc/37/09/81/984370981.db2.gz OXERIKCMDSVVJG-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO COC(=O)c1ccc(/C(C)=C/C=C/[NH3+])cc1C ZINC001243018982 984374235 /nfs/dbraw/zinc/37/42/35/984374235.db2.gz JTOMOLKEEMLDCR-DXNUHORPSA-N 1 2 231.295 2.657 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2csnn2)cc1 ZINC001243067934 984484981 /nfs/dbraw/zinc/48/49/81/984484981.db2.gz RCESURZPGLLYKU-UHFFFAOYSA-N 1 2 242.307 2.606 20 0 BFADLO COc1ccnc2ccc(-c3c[nH+]cn3C)cc21 ZINC001243067610 984485128 /nfs/dbraw/zinc/48/51/28/984485128.db2.gz MDQZXRPUVMZVNZ-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CSc1cc(-c2c[nH+]cn2C)ccc1F ZINC001243069571 984486561 /nfs/dbraw/zinc/48/65/61/984486561.db2.gz IEJZMUBRNUGNRP-UHFFFAOYSA-N 1 2 222.288 2.948 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc(C)c1N(C)C ZINC001243068559 984487889 /nfs/dbraw/zinc/48/78/89/984487889.db2.gz DOSURBQEZAEXNF-UHFFFAOYSA-N 1 2 229.327 2.770 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2cnco2)cc1 ZINC001243068540 984488133 /nfs/dbraw/zinc/48/81/33/984488133.db2.gz CWFMAZUXCNHXOI-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO CCc1cc(NC(C)=O)cc(-c2c[nH+]cn2C)c1 ZINC001243068428 984491028 /nfs/dbraw/zinc/49/10/28/984491028.db2.gz WVLSSLRIVJLYED-UHFFFAOYSA-N 1 2 243.310 2.608 20 0 BFADLO Cc1cc2ncccc2cc1-c1c[nH+]cn1C ZINC001243071348 984498461 /nfs/dbraw/zinc/49/84/61/984498461.db2.gz QIMMGWPWMOKJSG-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CCOCc1ccc(-c2c[nH+]cn2C)cc1 ZINC001243071714 984499031 /nfs/dbraw/zinc/49/90/31/984499031.db2.gz YUVUIEDDGXUAKK-UHFFFAOYSA-N 1 2 216.284 2.624 20 0 BFADLO COCOc1ccc(-c2c[nH+]cn2C)c(C)c1C ZINC001243071127 984499742 /nfs/dbraw/zinc/49/97/42/984499742.db2.gz MUTJYGOWYOKPTO-UHFFFAOYSA-N 1 2 246.310 2.687 20 0 BFADLO CSc1ccc(F)cc1-c1c[nH+]cn1C ZINC001243071442 984500488 /nfs/dbraw/zinc/50/04/88/984500488.db2.gz RUTWFXKPUCFWQI-UHFFFAOYSA-N 1 2 222.288 2.948 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C2CCOCC2)cc1 ZINC001243071740 984504494 /nfs/dbraw/zinc/50/44/94/984504494.db2.gz ZPMQAZOVBMHXDS-UHFFFAOYSA-N 1 2 242.322 2.981 20 0 BFADLO COc1cccc(-c2cn3cc[nH+]c3cc2C)n1 ZINC001243094937 984520553 /nfs/dbraw/zinc/52/05/53/984520553.db2.gz IPWKOCNSASTSFG-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cccc(-c2ccc3[nH+]ccn3c2C)n1 ZINC001243100215 984534175 /nfs/dbraw/zinc/53/41/75/984534175.db2.gz QABOOTOFLYWQBQ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CSc1ncc(/C(C)=C/C=C/[NH3+])cc1C ZINC001243146448 984604239 /nfs/dbraw/zinc/60/42/39/984604239.db2.gz AJGNWJCCOPAMTF-REZHQCRGSA-N 1 2 220.341 2.988 20 0 BFADLO Nc1cccc(-c2ccc(N)c(Cl)c2)[nH+]1 ZINC001243372020 984847199 /nfs/dbraw/zinc/84/71/99/984847199.db2.gz QGLJTQYELIJEBP-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO CCC[C@@H](CC)[N@@H+]1CCOCC(F)(F)C1 ZINC001257256562 984858090 /nfs/dbraw/zinc/85/80/90/984858090.db2.gz JBYSVIKTHVTGQR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@@H](CC)[N@H+]1CCOCC(F)(F)C1 ZINC001257256562 984858093 /nfs/dbraw/zinc/85/80/93/984858093.db2.gz JBYSVIKTHVTGQR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO Clc1cnccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001243388558 984878372 /nfs/dbraw/zinc/87/83/72/984878372.db2.gz QNEOGBDQTWWDGW-UHFFFAOYSA-N 1 2 245.713 2.798 20 0 BFADLO Nc1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001243454415 984961787 /nfs/dbraw/zinc/96/17/87/984961787.db2.gz QURXDZHVZPYXLP-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1nc2cccc(-c3ccc[nH+]c3N)c2o1 ZINC001243474206 985023115 /nfs/dbraw/zinc/02/31/15/985023115.db2.gz UKYGUQSIFMUJAM-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1c(C)cccc1-c1ccc[nH+]c1N ZINC001243473214 985023679 /nfs/dbraw/zinc/02/36/79/985023679.db2.gz HUGUAFRGERMIGF-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2[nH]cc(F)c21 ZINC001243474251 985025543 /nfs/dbraw/zinc/02/55/43/985025543.db2.gz UYZLLMBUIHVQAI-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1cc2cc[nH]c2c(F)c1 ZINC001243474314 985025783 /nfs/dbraw/zinc/02/57/83/985025783.db2.gz KJPOUDRBZMCVGO-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)c(C)c1C ZINC001243473952 985026156 /nfs/dbraw/zinc/02/61/56/985026156.db2.gz GGIZYSYLNRYNPD-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(F)c2[nH]ccc21 ZINC001243474058 985026220 /nfs/dbraw/zinc/02/62/20/985026220.db2.gz IOWIYNAULYARCT-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2ccccn2)nc1 ZINC001243475335 985027733 /nfs/dbraw/zinc/02/77/33/985027733.db2.gz VNHDSSXGWNGWCN-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)C=CC2 ZINC001243475485 985028867 /nfs/dbraw/zinc/02/88/67/985028867.db2.gz JQKMNSLAMBKGMU-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2ncsc21 ZINC001243477067 985039608 /nfs/dbraw/zinc/03/96/08/985039608.db2.gz YWQKZFTYSWSQMY-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO COC(OC)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243478157 985041462 /nfs/dbraw/zinc/04/14/62/985041462.db2.gz UQJAVZNTSVFLKZ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)c2ccsc2)[nH+]1 ZINC001456345477 985134436 /nfs/dbraw/zinc/13/44/36/985134436.db2.gz KWZDRINENGCYLB-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)c2ccsc2)c[nH+]1 ZINC001456345477 985134439 /nfs/dbraw/zinc/13/44/39/985134439.db2.gz KWZDRINENGCYLB-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO OCc1cc(F)cc(-c2ccc3[nH+]ccn3c2)c1 ZINC001243695562 985226274 /nfs/dbraw/zinc/22/62/74/985226274.db2.gz JZJPENNLPHCPHT-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(CO)cc(-c2ccn3cc[nH+]c3c2)c1 ZINC001243698510 985228162 /nfs/dbraw/zinc/22/81/62/985228162.db2.gz VPTTWOKBCNEJPZ-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO COc1nccc(SC)c1/C(C)=C/C=C/[NH3+] ZINC001243716453 985244625 /nfs/dbraw/zinc/24/46/25/985244625.db2.gz JUNXBKBTQRJHRX-XCIOYXGDSA-N 1 2 236.340 2.688 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]2C2CC2)nc(CC)[nH+]1 ZINC001458343823 985297431 /nfs/dbraw/zinc/29/74/31/985297431.db2.gz OHSVLENSYKXSOJ-NWDGAFQWSA-N 1 2 231.343 2.812 20 0 BFADLO Cc1cc(C2=C[NH2+]CCC2)nc(-c2ccco2)n1 ZINC001243948540 985631552 /nfs/dbraw/zinc/63/15/52/985631552.db2.gz GSRMJIKFYRIASZ-UHFFFAOYSA-N 1 2 241.294 2.769 20 0 BFADLO Cc1cc(-c2cc(F)nc(F)c2)c2[nH+]ccn2c1 ZINC001243970281 985693308 /nfs/dbraw/zinc/69/33/08/985693308.db2.gz HVEGRTGHGFPUMF-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO CO[C@H]1CC=C([NH2+]c2ccc[nH]c2=S)CC1 ZINC001212875722 985836948 /nfs/dbraw/zinc/83/69/48/985836948.db2.gz UPDMVVHREHXHFC-JTQLQIEISA-N 1 2 236.340 2.865 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001460349738 985838031 /nfs/dbraw/zinc/83/80/31/985838031.db2.gz KDPWVZFLPAJPPF-VXGBXAGGSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001460349738 985838043 /nfs/dbraw/zinc/83/80/43/985838043.db2.gz KDPWVZFLPAJPPF-VXGBXAGGSA-N 1 2 247.342 2.712 20 0 BFADLO CO[C@H]1CC=C(Nc2ccn3cc[nH+]c3c2)CC1 ZINC001212879009 985857903 /nfs/dbraw/zinc/85/79/03/985857903.db2.gz ZUYKVQRZJAVNAF-ZDUSSCGKSA-N 1 2 243.310 2.829 20 0 BFADLO Cc1c(Cl)ccc2c1C[N@H+](CCF)CC2 ZINC001460665597 985870876 /nfs/dbraw/zinc/87/08/76/985870876.db2.gz HYXZLZSZALVZTK-UHFFFAOYSA-N 1 2 227.710 2.976 20 0 BFADLO Cc1c(Cl)ccc2c1C[N@@H+](CCF)CC2 ZINC001460665597 985870882 /nfs/dbraw/zinc/87/08/82/985870882.db2.gz HYXZLZSZALVZTK-UHFFFAOYSA-N 1 2 227.710 2.976 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001460929740 985944443 /nfs/dbraw/zinc/94/44/43/985944443.db2.gz CRLGKAWOPIPLDY-NWDGAFQWSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001460929740 985944454 /nfs/dbraw/zinc/94/44/54/985944454.db2.gz CRLGKAWOPIPLDY-NWDGAFQWSA-N 1 2 249.345 2.903 20 0 BFADLO COc1ccc(NCc2cc(C)[nH+]c(C)c2)cn1 ZINC001461332786 986042066 /nfs/dbraw/zinc/04/20/66/986042066.db2.gz PSBLSDFBEDZJGH-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cn1cc(Cl)c(C[NH2+]C(C)(C)/C=C/Cl)n1 ZINC001461768240 986152604 /nfs/dbraw/zinc/15/26/04/986152604.db2.gz YBCUVTNZFTULQC-SNAWJCMRSA-N 1 2 248.157 2.694 20 0 BFADLO Nc1cc[nH+]cc1-c1cc(F)c(O)c(Cl)c1 ZINC001244501460 986207402 /nfs/dbraw/zinc/20/74/02/986207402.db2.gz KUVNFVONSFIOFF-UHFFFAOYSA-N 1 2 238.649 2.659 20 0 BFADLO CNc1cc(-c2cc(C)c(F)c(O)c2)cc[nH+]1 ZINC001244525969 986227900 /nfs/dbraw/zinc/22/79/00/986227900.db2.gz VIZOVVWCPUGELG-UHFFFAOYSA-N 1 2 232.258 2.943 20 0 BFADLO Nc1cc[nH+]c(-c2c(Cl)ccc(O)c2F)c1 ZINC001244537894 986233001 /nfs/dbraw/zinc/23/30/01/986233001.db2.gz HUINNPWJIMXJPX-UHFFFAOYSA-N 1 2 238.649 2.829 20 0 BFADLO OCc1c(F)cccc1-c1ccn2cc[nH+]c2c1 ZINC001244561865 986250660 /nfs/dbraw/zinc/25/06/60/986250660.db2.gz HBRJEWXSBCRISD-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(C)c(N)c(-c2cc[nH+]c(N)c2)c1 ZINC001244603209 986279604 /nfs/dbraw/zinc/27/96/04/986279604.db2.gz QAIWXEFVBYGKAW-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Nc1cc[nH+]c(-c2ccc(Cl)c(O)c2F)c1 ZINC001244631640 986292354 /nfs/dbraw/zinc/29/23/54/986292354.db2.gz WWLFMCFKTFPSET-UHFFFAOYSA-N 1 2 238.649 2.829 20 0 BFADLO CNc1cc(-c2cc(C)c(CO)c(C)c2)cc[nH+]1 ZINC001244705496 986312052 /nfs/dbraw/zinc/31/20/52/986312052.db2.gz FXGDURGGBUZHNL-UHFFFAOYSA-N 1 2 242.322 2.899 20 0 BFADLO CNc1cc(F)cc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001244826540 986347940 /nfs/dbraw/zinc/34/79/40/986347940.db2.gz UTZHHVJWBJLDCQ-UHFFFAOYSA-N 1 2 245.301 2.995 20 0 BFADLO CNc1cc(F)cc(/C(C)=C/C=C/[NH3+])c1 ZINC001244826309 986359913 /nfs/dbraw/zinc/35/99/13/986359913.db2.gz PUOHMYBCAYQSHX-BMVOEDMYSA-N 1 2 206.264 2.743 20 0 BFADLO COc1ccc(-c2cc[nH+]c(C)c2C)cc1N ZINC001244895592 986430863 /nfs/dbraw/zinc/43/08/63/986430863.db2.gz PTWZQEVFGYWSPZ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO OCc1ccc(-c2cccc3[nH+]ccn32)c(F)c1 ZINC001244912975 986459349 /nfs/dbraw/zinc/45/93/49/986459349.db2.gz XLWONGUHHOSPKL-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO CCCOC(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001462697667 986513727 /nfs/dbraw/zinc/51/37/27/986513727.db2.gz ZBQQWZBNCWFHEJ-UHFFFAOYSA-N 1 2 246.266 2.798 20 0 BFADLO CNc1cc(-c2cc(C)cn3cc[nH+]c23)ccn1 ZINC001244974108 986554715 /nfs/dbraw/zinc/55/47/15/986554715.db2.gz XWHDPFNBJKJWGX-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO Cc1cc(-c2cc(Cl)ccc2O)c[nH+]c1N ZINC001245052658 986611688 /nfs/dbraw/zinc/61/16/88/986611688.db2.gz PZWOYGWDTVKOBF-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Cc1c(CN2CCC[C@@H](F)C2)[nH+]c2ccccn12 ZINC001137272118 986702345 /nfs/dbraw/zinc/70/23/45/986702345.db2.gz IFFJFARRHVODJD-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO c1cn2ccc(-c3cc4cccnc4[nH]3)cc2[nH+]1 ZINC001245400367 986840979 /nfs/dbraw/zinc/84/09/79/986840979.db2.gz OSXDSIXWHYMNKA-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1cc(-c2cc(C)[nH+]cc2C)ccc1N ZINC001245505364 986885391 /nfs/dbraw/zinc/88/53/91/986885391.db2.gz UZSVMHDHXPFUIZ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCc1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245536262 986912903 /nfs/dbraw/zinc/91/29/03/986912903.db2.gz NOEWCEZZSMQCAN-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO Cc1ccc(C)c(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245536046 986914969 /nfs/dbraw/zinc/91/49/69/986914969.db2.gz PYMLCXSIMPSQOO-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2ccc3ncsc3n2)c[nH+]c1N ZINC001245536990 986915620 /nfs/dbraw/zinc/91/56/20/986915620.db2.gz DABRRTGAXHHWGN-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1cc(-c2nccc3ccncc32)c[nH+]c1N ZINC001245537123 986917202 /nfs/dbraw/zinc/91/72/02/986917202.db2.gz YLHBBYYBRRBGEV-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cccc3c2NCC3)c[nH+]c1N ZINC001245538608 986917800 /nfs/dbraw/zinc/91/78/00/986917800.db2.gz PJZCWFWRSHGSRC-UHFFFAOYSA-N 1 2 225.295 2.607 20 0 BFADLO CC(=O)Oc1cccc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245537899 986921317 /nfs/dbraw/zinc/92/13/17/986921317.db2.gz HAMMPWARUXDFSE-UHFFFAOYSA-N 1 2 242.278 2.565 20 0 BFADLO CSc1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245538597 986921897 /nfs/dbraw/zinc/92/18/97/986921897.db2.gz PDDZKSMUVWVOSQ-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1cc(-c2ncc(F)c3cc[nH]c32)c[nH+]c1N ZINC001245537749 986922397 /nfs/dbraw/zinc/92/23/97/986922397.db2.gz HMTNCZVYXRLPPN-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)nc(C(C)C)n1 ZINC001245538929 986923821 /nfs/dbraw/zinc/92/38/21/986923821.db2.gz SMAXOUSDWQMZRL-UHFFFAOYSA-N 1 2 242.326 2.861 20 0 BFADLO Cc1cc(-c2cnc3c(c2)CCC3)c[nH+]c1N ZINC001245539153 986925245 /nfs/dbraw/zinc/92/52/45/986925245.db2.gz RTFMUQFKGYACSD-UHFFFAOYSA-N 1 2 225.295 2.523 20 0 BFADLO Cc1cc(-c2cccc3nsnc32)c[nH+]c1N ZINC001245539716 986927845 /nfs/dbraw/zinc/92/78/45/986927845.db2.gz XLGINYJOHGWCFG-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO COCc1cc(-c2c[nH+]c(N)c(C)c2)ccc1F ZINC001245540901 986929808 /nfs/dbraw/zinc/92/98/08/986929808.db2.gz ZMRYTQRKCSODNW-UHFFFAOYSA-N 1 2 246.285 2.925 20 0 BFADLO CSc1cnccc1-c1c[nH+]c(N)c(C)c1 ZINC001245541751 986930429 /nfs/dbraw/zinc/93/04/29/986930429.db2.gz YEISIYHEXQJHOX-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1ccc(-c2cc(C)c(CO)cc2C)[nH+]c1N ZINC001245698652 987070413 /nfs/dbraw/zinc/07/04/13/987070413.db2.gz YSZNLBVRRARNAV-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001255842088 987074577 /nfs/dbraw/zinc/07/45/77/987074577.db2.gz NYNCDOKCFWMKNU-NEPJUHHUSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@H+]1CCC(=O)C[C@@H]1C ZINC001255842088 987074587 /nfs/dbraw/zinc/07/45/87/987074587.db2.gz NYNCDOKCFWMKNU-NEPJUHHUSA-N 1 2 249.329 2.810 20 0 BFADLO CCOc1cc(-c2ccc[nH+]c2N)c(Cl)cn1 ZINC001245817342 987091109 /nfs/dbraw/zinc/09/11/09/987091109.db2.gz WUYLLTPMFBDYLE-UHFFFAOYSA-N 1 2 249.701 2.778 20 0 BFADLO O=C1CC(C2CC[NH2+]CC2)=NN1C1CCCCC1 ZINC001245918246 987153879 /nfs/dbraw/zinc/15/38/79/987153879.db2.gz SESIHJYQBSOITJ-UHFFFAOYSA-N 1 2 249.358 2.561 20 0 BFADLO CC1(C)C[N@H+](Cc2nc(C3CC3)no2)C1(C)C ZINC001116216425 987486483 /nfs/dbraw/zinc/48/64/83/987486483.db2.gz QDJPVEPKWILEGX-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CC1(C)C[N@@H+](Cc2nc(C3CC3)no2)C1(C)C ZINC001116216425 987486491 /nfs/dbraw/zinc/48/64/91/987486491.db2.gz QDJPVEPKWILEGX-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)CC(CC(C)C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246218508 987617458 /nfs/dbraw/zinc/61/74/58/987617458.db2.gz UNUAZMFFSJWTRB-KGLIPLIRSA-N 1 2 244.398 2.737 20 0 BFADLO CC(C)CC(CC(C)C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246218508 987617461 /nfs/dbraw/zinc/61/74/61/987617461.db2.gz UNUAZMFFSJWTRB-KGLIPLIRSA-N 1 2 244.398 2.737 20 0 BFADLO CC(C)CC(CC(C)C)N[C@@H]1C[NH2+]CC1(F)F ZINC001246466913 987825981 /nfs/dbraw/zinc/82/59/81/987825981.db2.gz XPRYMLOHYPKFSF-GFCCVEGCSA-N 1 2 248.361 2.644 20 0 BFADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2C)n(C)n1 ZINC001321709977 987979422 /nfs/dbraw/zinc/97/94/22/987979422.db2.gz PEESUOVDYZMPMB-LBPRGKRZSA-N 1 2 244.342 2.913 20 0 BFADLO N[C@@H]1CC[N@@H+](C2CCCCCCC2)CC1(F)F ZINC001246838213 988540291 /nfs/dbraw/zinc/54/02/91/988540291.db2.gz UJSGNNANQPVLOM-GFCCVEGCSA-N 1 2 246.345 2.768 20 0 BFADLO N[C@@H]1CC[N@H+](C2CCCCCCC2)CC1(F)F ZINC001246838213 988540297 /nfs/dbraw/zinc/54/02/97/988540297.db2.gz UJSGNNANQPVLOM-GFCCVEGCSA-N 1 2 246.345 2.768 20 0 BFADLO Cc1cc(F)cc(N(C)Cc2cnccc2C)[nH+]1 ZINC001548516897 988677814 /nfs/dbraw/zinc/67/78/14/988677814.db2.gz VQBPOTRWKLPMOL-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1cccc([C@@H](C)c2nnc(C[NH+](C)C)o2)c1 ZINC001324177710 988743164 /nfs/dbraw/zinc/74/31/64/988743164.db2.gz GNXDNZQJEIRSNZ-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)n[nH]1 ZINC001324275871 988781514 /nfs/dbraw/zinc/78/15/14/988781514.db2.gz JITSLKFFLFEXJV-GFCCVEGCSA-N 1 2 221.348 2.585 20 0 BFADLO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)n[nH]1 ZINC001324275871 988781519 /nfs/dbraw/zinc/78/15/19/988781519.db2.gz JITSLKFFLFEXJV-GFCCVEGCSA-N 1 2 221.348 2.585 20 0 BFADLO C[C@H](C(=O)NCC1(C)CCCCC1)n1cc[nH+]c1 ZINC001324342526 988809048 /nfs/dbraw/zinc/80/90/48/988809048.db2.gz AZQQGVMNILYKGL-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ncc(C(F)(F)F)cc1F ZINC001248787335 989143923 /nfs/dbraw/zinc/14/39/23/989143923.db2.gz XSKXEDZSXWSDKW-ZETCQYMHSA-N 1 2 248.223 2.834 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ncc(C(F)(F)F)cc1F ZINC001248787335 989143927 /nfs/dbraw/zinc/14/39/27/989143927.db2.gz XSKXEDZSXWSDKW-ZETCQYMHSA-N 1 2 248.223 2.834 20 0 BFADLO C[C@H](C(=O)NCC1CCCCCC1)n1cc[nH+]c1 ZINC001325295624 989146404 /nfs/dbraw/zinc/14/64/04/989146404.db2.gz IKSFAWMEWKJFGW-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1cc(C[NH+]2CC=CC2)c(Cl)nc1C ZINC001248989839 989242002 /nfs/dbraw/zinc/24/20/02/989242002.db2.gz YMSYSYNDXDUBSP-UHFFFAOYSA-N 1 2 222.719 2.724 20 0 BFADLO C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)Cc1ccno1 ZINC001249480358 989296577 /nfs/dbraw/zinc/29/65/77/989296577.db2.gz PLUOKUMQWIWCES-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)Cc1ccno1 ZINC001249480358 989296587 /nfs/dbraw/zinc/29/65/87/989296587.db2.gz PLUOKUMQWIWCES-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ns1 ZINC001249571186 989311999 /nfs/dbraw/zinc/31/19/99/989311999.db2.gz MYUPMQSNZFMVDE-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ns1 ZINC001249571186 989312013 /nfs/dbraw/zinc/31/20/13/989312013.db2.gz MYUPMQSNZFMVDE-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccccc2CF)n1 ZINC001119813723 989421766 /nfs/dbraw/zinc/42/17/66/989421766.db2.gz YMNWRTQLOMVRFJ-VIFPVBQESA-N 1 2 249.289 2.698 20 0 BFADLO C[C@H](C(=O)N[C@]1(C)CCCC[C@H]1C)n1cc[nH+]c1 ZINC001326728720 989668624 /nfs/dbraw/zinc/66/86/24/989668624.db2.gz CEQXTTQSRIRMFY-YRGRVCCFSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@H]1CC(c2nnc(C[NH+](C)C)o2)C[C@@H](C)C1 ZINC001326941586 989781496 /nfs/dbraw/zinc/78/14/96/989781496.db2.gz WASJOKJBHCPXJI-UWVGGRQHSA-N 1 2 237.347 2.671 20 0 BFADLO Cc1cc(F)cc(N2CCCC[C@H]2C)[nH+]1 ZINC001120794191 989884448 /nfs/dbraw/zinc/88/44/48/989884448.db2.gz WXJRYJSSQGRXKL-SNVBAGLBSA-N 1 2 208.280 2.908 20 0 BFADLO Cc1cc(F)cc(N2CCc3ncsc3C2)[nH+]1 ZINC001120925266 989969284 /nfs/dbraw/zinc/96/92/84/989969284.db2.gz FOFCBAXTGFNBSR-UHFFFAOYSA-N 1 2 249.314 2.548 20 0 BFADLO CCc1ccc(N2CCC[C@@H](C(C)(C)O)C2)[nH+]c1 ZINC001120953223 989986892 /nfs/dbraw/zinc/98/68/92/989986892.db2.gz JGTZILIMMBAVGI-CYBMUJFWSA-N 1 2 248.370 2.631 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCC12CC2 ZINC001121139238 990021822 /nfs/dbraw/zinc/02/18/22/990021822.db2.gz HXTCBMGKLKUZQC-LBPRGKRZSA-N 1 2 244.338 2.639 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001121231197 990053793 /nfs/dbraw/zinc/05/37/93/990053793.db2.gz JKTVCWGAROYXAE-CABZTGNLSA-N 1 2 234.343 2.741 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001527606608 990231430 /nfs/dbraw/zinc/23/14/30/990231430.db2.gz WSYJVKRRWKVHRI-UHFFFAOYSA-N 1 2 229.283 2.629 20 0 BFADLO Cc1cc(C)c(NC(=O)N2C[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC001562900499 990793336 /nfs/dbraw/zinc/79/33/36/990793336.db2.gz GBFNBHWCPDHLIK-SKDRFNHKSA-N 1 2 247.342 2.879 20 0 BFADLO COCC[N@H+](C)Cc1c(F)ccc(Cl)c1F ZINC001137876698 990865523 /nfs/dbraw/zinc/86/55/23/990865523.db2.gz XEFWBTOVLJDFQX-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COCC[N@@H+](C)Cc1c(F)ccc(Cl)c1F ZINC001137876698 990865526 /nfs/dbraw/zinc/86/55/26/990865526.db2.gz XEFWBTOVLJDFQX-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1F ZINC001137927056 990870694 /nfs/dbraw/zinc/87/06/94/990870694.db2.gz LTMDOXHFCXJKLF-OCAPTIKFSA-N 1 2 227.229 2.556 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1F ZINC001137927056 990870697 /nfs/dbraw/zinc/87/06/97/990870697.db2.gz LTMDOXHFCXJKLF-OCAPTIKFSA-N 1 2 227.229 2.556 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001137991372 990873931 /nfs/dbraw/zinc/87/39/31/990873931.db2.gz HRAJMDUPALXETJ-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO COc1ccc(F)c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001137991372 990873932 /nfs/dbraw/zinc/87/39/32/990873932.db2.gz HRAJMDUPALXETJ-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO Cc1ccc(F)c(C[NH+](C)C)c1Cl ZINC001138022496 990876235 /nfs/dbraw/zinc/87/62/35/990876235.db2.gz AZKJLJQUOJEMAW-UHFFFAOYSA-N 1 2 201.672 2.849 20 0 BFADLO CC[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558351410 990940255 /nfs/dbraw/zinc/94/02/55/990940255.db2.gz KMVQTWMTNJXSMM-BXKDBHETSA-N 1 2 249.358 2.736 20 0 BFADLO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001258068397 990960928 /nfs/dbraw/zinc/96/09/28/990960928.db2.gz FAWZYDANUZNUDN-NEPJUHHUSA-N 1 2 211.349 2.722 20 0 BFADLO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CCC(=O)C1 ZINC001258068397 990960941 /nfs/dbraw/zinc/96/09/41/990960941.db2.gz FAWZYDANUZNUDN-NEPJUHHUSA-N 1 2 211.349 2.722 20 0 BFADLO CCCc1ccc(C[NH+]2CC(OCC)C2)s1 ZINC001138523613 990969172 /nfs/dbraw/zinc/96/91/72/990969172.db2.gz JHLJRCLCVBBUCY-UHFFFAOYSA-N 1 2 239.384 2.921 20 0 BFADLO COC1(C)C[NH+](Cc2c(C)cccc2Cl)C1 ZINC001138718281 991018644 /nfs/dbraw/zinc/01/86/44/991018644.db2.gz LXJAJQNALPWQFZ-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CCN(CC)c1cc(C)[nH+]c(C2CCC2)n1 ZINC001559053251 991028809 /nfs/dbraw/zinc/02/88/09/991028809.db2.gz FSEDCUQHSFBJIO-UHFFFAOYSA-N 1 2 219.332 2.899 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1cccnc1F ZINC001138788644 991053412 /nfs/dbraw/zinc/05/34/12/991053412.db2.gz GBEAXARFRAQEKD-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1cccnc1F ZINC001138788644 991053420 /nfs/dbraw/zinc/05/34/20/991053420.db2.gz GBEAXARFRAQEKD-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CCCn1c[nH+]cc1CN(CC)CC(F)(F)F ZINC001308587101 991054798 /nfs/dbraw/zinc/05/47/98/991054798.db2.gz AMMUSNJARMQBFA-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CC[N@H+](Cc1nc(C)c[nH]1)Cc1cccc(F)c1 ZINC001138938482 991108737 /nfs/dbraw/zinc/10/87/37/991108737.db2.gz QQVMEIHWJSMIJT-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC[N@@H+](Cc1nc(C)c[nH]1)Cc1cccc(F)c1 ZINC001138938482 991108741 /nfs/dbraw/zinc/10/87/41/991108741.db2.gz QQVMEIHWJSMIJT-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CCc1cn(Cc2cc(C)cc(C)n2)c[nH+]1 ZINC001559466108 991113461 /nfs/dbraw/zinc/11/34/61/991113461.db2.gz LCEGCTNMFLNUGZ-UHFFFAOYSA-N 1 2 215.300 2.506 20 0 BFADLO CCc1cn(CCc2ccccc2F)c[nH+]1 ZINC001559465962 991113904 /nfs/dbraw/zinc/11/39/04/991113904.db2.gz HPOBRPXBNXKHDP-UHFFFAOYSA-N 1 2 218.275 2.827 20 0 BFADLO CO[C@@H]1C[N@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139062124 991136820 /nfs/dbraw/zinc/13/68/20/991136820.db2.gz QJQCGDSFLWIVSU-GXTWGEPZSA-N 1 2 249.285 2.602 20 0 BFADLO CO[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1F ZINC001139062124 991136829 /nfs/dbraw/zinc/13/68/29/991136829.db2.gz QJQCGDSFLWIVSU-GXTWGEPZSA-N 1 2 249.285 2.602 20 0 BFADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139062085 991137216 /nfs/dbraw/zinc/13/72/16/991137216.db2.gz PGNIWGQPPRAFFB-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO C[C@H]1CC(=O)CC[N@H+]1Cc1cc2ccccc2o1 ZINC001139062085 991137221 /nfs/dbraw/zinc/13/72/21/991137221.db2.gz PGNIWGQPPRAFFB-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO CCC1(C)C[NH+](Cc2ccc(O)c(F)c2F)C1 ZINC001308811759 991153122 /nfs/dbraw/zinc/15/31/22/991153122.db2.gz RVAJBWHNWAFZMZ-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CCC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258283679 991214091 /nfs/dbraw/zinc/21/40/91/991214091.db2.gz OMSPAHVZKBOJBN-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO CC1(C)CCC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258283679 991214102 /nfs/dbraw/zinc/21/41/02/991214102.db2.gz OMSPAHVZKBOJBN-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO CCC(CC)C[NH+]1CC(OC)(C(F)(F)F)C1 ZINC001308956581 991236162 /nfs/dbraw/zinc/23/61/62/991236162.db2.gz NLTUTNYRKOJUNT-UHFFFAOYSA-N 1 2 239.281 2.686 20 0 BFADLO CCOc1ccc(C)cc1C[NH+]1CC(OCC)C1 ZINC001139599984 991280105 /nfs/dbraw/zinc/28/01/05/991280105.db2.gz KPKKPJKMVRMSKU-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[NH+]1CC(C)(OC)C1 ZINC001139600322 991281487 /nfs/dbraw/zinc/28/14/87/991281487.db2.gz OSPNMKLMLWQRES-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001258429753 991359288 /nfs/dbraw/zinc/35/92/88/991359288.db2.gz BWDGIFYIPSCGNI-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO C[N@H+](Cc1ccncc1Cl)C1CC(F)(F)C1 ZINC001139845916 991403591 /nfs/dbraw/zinc/40/35/91/991403591.db2.gz VMGQSFNQWHYFLC-UHFFFAOYSA-N 1 2 246.688 2.965 20 0 BFADLO C[N@@H+](Cc1ccncc1Cl)C1CC(F)(F)C1 ZINC001139845916 991403596 /nfs/dbraw/zinc/40/35/96/991403596.db2.gz VMGQSFNQWHYFLC-UHFFFAOYSA-N 1 2 246.688 2.965 20 0 BFADLO COC1C[NH+](Cc2ccc(F)c3ccccc23)C1 ZINC001139888787 991411690 /nfs/dbraw/zinc/41/16/90/991411690.db2.gz KYTLVILQADXXSY-UHFFFAOYSA-N 1 2 245.297 2.810 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc(O)ccc2F)C1 ZINC001140050656 991501759 /nfs/dbraw/zinc/50/17/59/991501759.db2.gz OGGQMOBYOLEXAJ-ONGXEEELSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc(O)ccc2F)C1 ZINC001140050656 991501770 /nfs/dbraw/zinc/50/17/70/991501770.db2.gz OGGQMOBYOLEXAJ-ONGXEEELSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cc(O)ccc2F)C1 ZINC001140051046 991502915 /nfs/dbraw/zinc/50/29/15/991502915.db2.gz UCEVIQNZRNZZKE-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cc(O)ccc2F)C1 ZINC001140051046 991502925 /nfs/dbraw/zinc/50/29/25/991502925.db2.gz UCEVIQNZRNZZKE-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1cc(O)ccc1F ZINC001140050121 991505328 /nfs/dbraw/zinc/50/53/28/991505328.db2.gz IRSZSBJXXMCAAT-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1cc(O)ccc1F ZINC001140050121 991505317 /nfs/dbraw/zinc/50/53/17/991505317.db2.gz IRSZSBJXXMCAAT-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO Oc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC001140087143 991522602 /nfs/dbraw/zinc/52/26/02/991522602.db2.gz JNSXOSCZBBBFNN-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1ccc(C[N@H+]2CCC[C@@H]2CF)c(Cl)c1 ZINC001140087143 991522613 /nfs/dbraw/zinc/52/26/13/991522613.db2.gz JNSXOSCZBBBFNN-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO CC1C[NH+](Cc2cc(C(F)(F)F)ccn2)C1 ZINC001140104040 991522925 /nfs/dbraw/zinc/52/29/25/991522925.db2.gz ASXQIZHSXFMIDH-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO Fc1cccc(C[N@H+]2CCCC[C@H](F)C2)n1 ZINC001140131871 991532195 /nfs/dbraw/zinc/53/21/95/991532195.db2.gz XKRGHDISGZVNDL-JTQLQIEISA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cccc(C[N@@H+]2CCCC[C@H](F)C2)n1 ZINC001140131871 991532205 /nfs/dbraw/zinc/53/22/05/991532205.db2.gz XKRGHDISGZVNDL-JTQLQIEISA-N 1 2 226.270 2.545 20 0 BFADLO C[N@H+](Cc1cccc(F)n1)Cc1ccccc1F ZINC001140133314 991534952 /nfs/dbraw/zinc/53/49/52/991534952.db2.gz DZNFVJLWSNBBEC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccc(F)n1)Cc1ccccc1F ZINC001140133314 991534959 /nfs/dbraw/zinc/53/49/59/991534959.db2.gz DZNFVJLWSNBBEC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@H]2C)c(C)cc1O ZINC001140197390 991556744 /nfs/dbraw/zinc/55/67/44/991556744.db2.gz NDIAHDIVTFNYGD-GFCCVEGCSA-N 1 2 247.338 2.562 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@H]2C)c(C)cc1O ZINC001140197390 991556754 /nfs/dbraw/zinc/55/67/54/991556754.db2.gz NDIAHDIVTFNYGD-GFCCVEGCSA-N 1 2 247.338 2.562 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC001560830842 991614133 /nfs/dbraw/zinc/61/41/33/991614133.db2.gz AHMBVILFOSAKBY-NEPJUHHUSA-N 1 2 244.342 2.710 20 0 BFADLO C[C@@]1(CNc2cc3cc[nH]c3c[nH+]2)CCCCO1 ZINC001560908370 991644964 /nfs/dbraw/zinc/64/49/64/991644964.db2.gz ORDILBXQFSRDIH-AWEZNQCLSA-N 1 2 245.326 2.934 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258798923 991795662 /nfs/dbraw/zinc/79/56/62/991795662.db2.gz ZEKLKGUCHBBNRB-SRVKXCTJSA-N 1 2 229.339 2.814 20 0 BFADLO CC[C@H](C)C[C@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258798923 991795673 /nfs/dbraw/zinc/79/56/73/991795673.db2.gz ZEKLKGUCHBBNRB-SRVKXCTJSA-N 1 2 229.339 2.814 20 0 BFADLO COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC1(F)F ZINC001258876972 991883315 /nfs/dbraw/zinc/88/33/15/991883315.db2.gz BQRHJJRNUQDZDP-SKDRFNHKSA-N 1 2 241.281 2.623 20 0 BFADLO CC[C@H](Cc1ccccc1)[N@@H+]1CCCC(=O)C1 ZINC001258850629 991883338 /nfs/dbraw/zinc/88/33/38/991883338.db2.gz LDZHNSMGXCDWAJ-CQSZACIVSA-N 1 2 231.339 2.673 20 0 BFADLO CC[C@H](Cc1ccccc1)[N@H+]1CCCC(=O)C1 ZINC001258850629 991883339 /nfs/dbraw/zinc/88/33/39/991883339.db2.gz LDZHNSMGXCDWAJ-CQSZACIVSA-N 1 2 231.339 2.673 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)[nH]n1 ZINC001319691405 991940313 /nfs/dbraw/zinc/94/03/13/991940313.db2.gz PTILORDNFFOKJR-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)[nH]n1 ZINC001319691405 991940323 /nfs/dbraw/zinc/94/03/23/991940323.db2.gz PTILORDNFFOKJR-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO C(=C\C1CC1)\CNc1cc(NCC2CC2)[nH+]cn1 ZINC001261236280 992207393 /nfs/dbraw/zinc/20/73/93/992207393.db2.gz CCPHQQILKLXMBS-UPHRSURJSA-N 1 2 244.342 2.677 20 0 BFADLO C(=C\C1CC1)\CNc1cc(NCC2CC2)nc[nH+]1 ZINC001261236280 992207405 /nfs/dbraw/zinc/20/74/05/992207405.db2.gz CCPHQQILKLXMBS-UPHRSURJSA-N 1 2 244.342 2.677 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)OCC[C@H]2C)[nH+]1 ZINC001262718602 993051737 /nfs/dbraw/zinc/05/17/37/993051737.db2.gz XABQNPORTYOYEU-GHMZBOCLSA-N 1 2 238.306 2.533 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CCCC1CC1 ZINC001262805170 993069724 /nfs/dbraw/zinc/06/97/24/993069724.db2.gz HDVTZCYTRKWQRH-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO CC(C)C1([NH2+]CC(F)(F)C(F)F)CC1 ZINC000382155103 993441838 /nfs/dbraw/zinc/44/18/38/993441838.db2.gz QYEXORQMPPANJZ-UHFFFAOYSA-N 1 2 213.218 2.665 20 0 BFADLO Cc1csc(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC000382179464 993442612 /nfs/dbraw/zinc/44/26/12/993442612.db2.gz NRRQAQMTYBREKZ-SNVBAGLBSA-N 1 2 223.341 2.610 20 0 BFADLO Cc1csc(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC000382179464 993442614 /nfs/dbraw/zinc/44/26/14/993442614.db2.gz NRRQAQMTYBREKZ-SNVBAGLBSA-N 1 2 223.341 2.610 20 0 BFADLO Cc1csc(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC000382179436 993443512 /nfs/dbraw/zinc/44/35/12/993443512.db2.gz NRRQAQMTYBREKZ-JTQLQIEISA-N 1 2 223.341 2.610 20 0 BFADLO Cc1csc(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC000382179436 993443518 /nfs/dbraw/zinc/44/35/18/993443518.db2.gz NRRQAQMTYBREKZ-JTQLQIEISA-N 1 2 223.341 2.610 20 0 BFADLO Cc1cc[nH+]c(C)c1N[C@H](C)c1cnccn1 ZINC000383298626 993487431 /nfs/dbraw/zinc/48/74/31/993487431.db2.gz ONPMDSHKRZQFLS-SNVBAGLBSA-N 1 2 228.299 2.662 20 0 BFADLO CC[C@@H](CNc1cc(C)c2ccccc2[nH+]1)OC ZINC000385655464 993666036 /nfs/dbraw/zinc/66/60/36/993666036.db2.gz BITSFAWYDPKGBS-LBPRGKRZSA-N 1 2 244.338 2.802 20 0 BFADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccccc1Cl ZINC001290161564 994527632 /nfs/dbraw/zinc/52/76/32/994527632.db2.gz ZFSVGJUDKKCUEC-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO CCc1cn(Cc2cc(OC)ccc2OC)c[nH+]1 ZINC001307398055 995344594 /nfs/dbraw/zinc/34/45/94/995344594.db2.gz OUQBESGQHKUREM-UHFFFAOYSA-N 1 2 246.310 2.511 20 0 BFADLO CC[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@H](C)O ZINC000395408579 262787538 /nfs/dbraw/zinc/78/75/38/262787538.db2.gz FRORSVUCIVJYMF-CBAPKCEASA-N 1 2 248.248 2.672 20 0 BFADLO C[C@@H](Cc1ccsc1)[N@H+](C)CC(F)F ZINC000081599786 398139906 /nfs/dbraw/zinc/13/99/06/398139906.db2.gz OJPAUAVQDRFBKR-QMMMGPOBSA-N 1 2 219.300 2.876 20 0 BFADLO C[C@@H](Cc1ccsc1)[N@@H+](C)CC(F)F ZINC000081599786 398139908 /nfs/dbraw/zinc/13/99/08/398139908.db2.gz OJPAUAVQDRFBKR-QMMMGPOBSA-N 1 2 219.300 2.876 20 0 BFADLO CCC1(CC)C[NH+](Cc2ncc(Cl)n2C)C1 ZINC000297357944 398144011 /nfs/dbraw/zinc/14/40/11/398144011.db2.gz GNDQYUJFVJDPCI-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CC1(C)CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000112701710 398146758 /nfs/dbraw/zinc/14/67/58/398146758.db2.gz JKICSLWSCQKPCL-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000112701710 398146761 /nfs/dbraw/zinc/14/67/61/398146761.db2.gz JKICSLWSCQKPCL-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(F)ccc2F)no1 ZINC000044692698 178024026 /nfs/dbraw/zinc/02/40/26/178024026.db2.gz BPAHZNWGKLIWNI-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(F)cc2F)on1 ZINC000044985375 178026263 /nfs/dbraw/zinc/02/62/63/178026263.db2.gz SDPBSYRWZXTJKU-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)on1 ZINC000044985508 178027585 /nfs/dbraw/zinc/02/75/85/178027585.db2.gz YYMVHWMXYZOHKS-ZANVPECISA-N 1 2 246.310 2.989 20 0 BFADLO Nc1nc(N[C@H]2CC=CCC2)[nH+]c2ccccc12 ZINC000301928395 398171453 /nfs/dbraw/zinc/17/14/53/398171453.db2.gz ZOSJPVZOIHXZKI-JTQLQIEISA-N 1 2 240.310 2.733 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)on1 ZINC000044315359 178031681 /nfs/dbraw/zinc/03/16/81/178031681.db2.gz YVLNIOBCDZIMBQ-JTQLQIEISA-N 1 2 220.272 2.735 20 0 BFADLO Cc1cc(CNc2cc(C)[nH+]c(C(C)C)n2)on1 ZINC000044995718 178041898 /nfs/dbraw/zinc/04/18/98/178041898.db2.gz SONNUWLUZZQLBI-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCO[C@@H]1C ZINC000134092628 178094725 /nfs/dbraw/zinc/09/47/25/178094725.db2.gz KXTJDOZPKFLUBL-BXUZGUMPSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCO[C@H]1C ZINC000134093219 178096815 /nfs/dbraw/zinc/09/68/15/178096815.db2.gz KXTJDOZPKFLUBL-FZMZJTMJSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1cc(N(C)[C@@H](C)Cc2cccs2)nc[nH+]1 ZINC000301505958 178099813 /nfs/dbraw/zinc/09/98/13/178099813.db2.gz ZWOPWPDDZVJEIQ-NSHDSACASA-N 1 2 247.367 2.914 20 0 BFADLO Cc1ccsc1CN(C)c1cc(C)[nH+]cn1 ZINC000336488769 178100510 /nfs/dbraw/zinc/10/05/10/178100510.db2.gz XSUDLXGDZIFSDA-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO Cc1cc(N(C)[C@H]2CC2(C)C)nc(C2CC2)[nH+]1 ZINC000362849444 178101123 /nfs/dbraw/zinc/10/11/23/178101123.db2.gz HBPFPACYSCDGIU-NSHDSACASA-N 1 2 231.343 2.897 20 0 BFADLO FCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000336695212 398195660 /nfs/dbraw/zinc/19/56/60/398195660.db2.gz LPXOJEGNUFCNNS-NSHDSACASA-N 1 2 236.315 2.792 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCC23CCC3)c1F ZINC000334300318 398197628 /nfs/dbraw/zinc/19/76/28/398197628.db2.gz UDGAICFJDFAXMH-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCC23CCC3)c1F ZINC000334300318 398197630 /nfs/dbraw/zinc/19/76/30/398197630.db2.gz UDGAICFJDFAXMH-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Cc1cc(N)nc(SCCCCCF)[nH+]1 ZINC000284323092 178109062 /nfs/dbraw/zinc/10/90/62/178109062.db2.gz UAWPXFPZVSYJBT-UHFFFAOYSA-N 1 2 229.324 2.599 20 0 BFADLO Cc1cc(N2CCCC2)nc(C(C)C)[nH+]1 ZINC000301066340 178112098 /nfs/dbraw/zinc/11/20/98/178112098.db2.gz QSZFOSZZMSKOTD-UHFFFAOYSA-N 1 2 205.305 2.509 20 0 BFADLO Cc1cc(N2CCC[C@@H]2C2CCCC2)nc[nH+]1 ZINC000301225644 178114111 /nfs/dbraw/zinc/11/41/11/178114111.db2.gz FRLIOYJUELDFKE-CYBMUJFWSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc(N2CC[C@@](C)(F)C2)nc(C2CC2)[nH+]1 ZINC000336370428 178118137 /nfs/dbraw/zinc/11/81/37/178118137.db2.gz YNQPVLPUYHJLGJ-CYBMUJFWSA-N 1 2 235.306 2.601 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301138309 178118170 /nfs/dbraw/zinc/11/81/70/178118170.db2.gz FEZKJBHOGYKPRT-SNVBAGLBSA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cc(N2CC[C@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247089021 178118980 /nfs/dbraw/zinc/11/89/80/178118980.db2.gz VSDOTPHMDMLDKT-GXSJLCMTSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2C[C@H](C)CCC[C@@H]2C)nc[nH+]1 ZINC000301412420 178120788 /nfs/dbraw/zinc/12/07/88/178120788.db2.gz KVHJSHXWFDDEFJ-PWSUYJOCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000267678776 178121047 /nfs/dbraw/zinc/12/10/47/178121047.db2.gz PABKPINCKSFWKF-AOOOYVTPSA-N 1 2 231.343 2.755 20 0 BFADLO CCC(CC)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000279897121 168340419 /nfs/dbraw/zinc/34/04/19/168340419.db2.gz USEPZNWVWYFLTM-NSHDSACASA-N 1 2 237.347 2.659 20 0 BFADLO CCC(CC)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000193335496 168341143 /nfs/dbraw/zinc/34/11/43/168341143.db2.gz NWZZEUCVWJMZIS-UHFFFAOYSA-N 1 2 235.331 2.522 20 0 BFADLO Cc1cc(NC(=O)N(C)[C@H](C)C2CC2)cc[nH+]1 ZINC000119664512 178136521 /nfs/dbraw/zinc/13/65/21/178136521.db2.gz ARVATNXFCUOBRF-SNVBAGLBSA-N 1 2 233.315 2.652 20 0 BFADLO C[C@@H](CNc1c[nH]c[nH+]1)c1cc(F)cc(F)c1 ZINC000521779488 398208504 /nfs/dbraw/zinc/20/85/04/398208504.db2.gz JTMFQCNKSOOBIT-QMMMGPOBSA-N 1 2 237.253 2.904 20 0 BFADLO C[C@H](CNc1c[nH]c[nH+]1)c1cc(F)cc(F)c1 ZINC000521779487 398208668 /nfs/dbraw/zinc/20/86/68/398208668.db2.gz JTMFQCNKSOOBIT-MRVPVSSYSA-N 1 2 237.253 2.904 20 0 BFADLO Cc1cc(NC(=O)NCC2(C)CCC2)cc[nH+]1 ZINC000119834558 178138474 /nfs/dbraw/zinc/13/84/74/178138474.db2.gz ZCAYOWGBLLKYPX-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2C=CCCC2)cc[nH+]1 ZINC000119581782 178142103 /nfs/dbraw/zinc/14/21/03/178142103.db2.gz OWUNQDMRJJJGOW-NSHDSACASA-N 1 2 231.299 2.620 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]c(C)c2)[nH]1 ZINC000120886051 178148901 /nfs/dbraw/zinc/14/89/01/178148901.db2.gz GDDJFFDSBAIRJX-UHFFFAOYSA-N 1 2 229.283 2.587 20 0 BFADLO CCC(CC)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375900035 168343903 /nfs/dbraw/zinc/34/39/03/168343903.db2.gz FHDKMLXMRPKASL-LBPRGKRZSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1cc(NCCCOc2ccccc2)nc[nH+]1 ZINC000052092453 178160525 /nfs/dbraw/zinc/16/05/25/178160525.db2.gz GOJDOHVISAPKOX-UHFFFAOYSA-N 1 2 243.310 2.666 20 0 BFADLO Cc1cc(NCCCOC2CCCC2)nc[nH+]1 ZINC000301232632 178160598 /nfs/dbraw/zinc/16/05/98/178160598.db2.gz INAJVZVSOWUAOM-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1cc(NC[C@@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000309701891 178164481 /nfs/dbraw/zinc/16/44/81/178164481.db2.gz MZDDQVYEFDKXOO-SECBINFHSA-N 1 2 227.258 2.632 20 0 BFADLO Cc1cc(NCc2cc(C(C)C)no2)nc[nH+]1 ZINC000301301136 178171493 /nfs/dbraw/zinc/17/14/93/178171493.db2.gz UZUGRYOCFRXXBS-UHFFFAOYSA-N 1 2 232.287 2.509 20 0 BFADLO Cc1cc(NCc2ccco2)nc(C2CC2)[nH+]1 ZINC000264643412 178174821 /nfs/dbraw/zinc/17/48/21/178174821.db2.gz NGNXQVQJMPCZJJ-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cc1cc(N[C@@H]2CCn3cc[nH+]c32)ccc1F ZINC000294144960 178182082 /nfs/dbraw/zinc/18/20/82/178182082.db2.gz PREDCWMLRHSYGK-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc(N[C@@]2(C)CCCOC2)nc(C(C)C)[nH+]1 ZINC000357213257 178184850 /nfs/dbraw/zinc/18/48/50/178184850.db2.gz QXYNLUULECCCPK-AWEZNQCLSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(N[C@H](C)Cc2ccsc2)nc[nH+]1 ZINC000049184298 178186237 /nfs/dbraw/zinc/18/62/37/178186237.db2.gz GZGGOWXTKVDRLM-SNVBAGLBSA-N 1 2 233.340 2.890 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000271377718 178190315 /nfs/dbraw/zinc/19/03/15/178190315.db2.gz JQHPVRHDTNRVHJ-PWSUYJOCSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(Nc2ccc3c(c2)CCC[NH2+]3)ncn1 ZINC000071214898 178191713 /nfs/dbraw/zinc/19/17/13/178191713.db2.gz GHJDPWMCAWWQMV-UHFFFAOYSA-N 1 2 240.310 2.887 20 0 BFADLO Cc1cc(Nc2ccc(F)cc2)nc(C)[nH+]1 ZINC000301089184 178191966 /nfs/dbraw/zinc/19/19/66/178191966.db2.gz RVRCOFVLVBTYHP-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(Nc2cnn(C(C)C)c2)nc(C)[nH+]1 ZINC000061683692 178193084 /nfs/dbraw/zinc/19/30/84/178193084.db2.gz SACFNNRECSNWLT-UHFFFAOYSA-N 1 2 231.303 2.614 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000421383839 192325836 /nfs/dbraw/zinc/32/58/36/192325836.db2.gz DQJLVIHQBKJASK-SECBINFHSA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)C[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000421383839 192325839 /nfs/dbraw/zinc/32/58/39/192325839.db2.gz DQJLVIHQBKJASK-SECBINFHSA-N 1 2 248.248 2.839 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cncs2)C[C@H](CC)O1 ZINC000421386595 192326536 /nfs/dbraw/zinc/32/65/36/192326536.db2.gz HNAQEONNXLGDQF-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cncs2)C[C@H](CC)O1 ZINC000421386595 192326540 /nfs/dbraw/zinc/32/65/40/192326540.db2.gz HNAQEONNXLGDQF-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[NH+](Cc2cncs2)C[C@@H](CC)O1 ZINC000421386594 192327013 /nfs/dbraw/zinc/32/70/13/192327013.db2.gz HNAQEONNXLGDQF-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO C/C(Cl)=C\C[N@@H+](C)Cc1cccc(C)n1 ZINC000528418860 323000359 /nfs/dbraw/zinc/00/03/59/323000359.db2.gz SFIOKFGPEBULGJ-JXMROGBWSA-N 1 2 224.735 2.964 20 0 BFADLO C/C(Cl)=C\C[N@H+](C)Cc1cccc(C)n1 ZINC000528418860 323000360 /nfs/dbraw/zinc/00/03/60/323000360.db2.gz SFIOKFGPEBULGJ-JXMROGBWSA-N 1 2 224.735 2.964 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccsc2)no1 ZINC000279693908 178228401 /nfs/dbraw/zinc/22/84/01/178228401.db2.gz UVWPWTXYBMJEGX-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2occc2C)no1 ZINC000282636420 178229637 /nfs/dbraw/zinc/22/96/37/178229637.db2.gz KDAGWHYRSHWSKF-SNVBAGLBSA-N 1 2 220.272 2.735 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccn2)nn1C ZINC000337405576 178233081 /nfs/dbraw/zinc/23/30/81/178233081.db2.gz SGUDZEBZGLJDJF-VXGBXAGGSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccn2)no1 ZINC000282673010 178253617 /nfs/dbraw/zinc/25/36/17/178253617.db2.gz JFGHUHRRKWIAQH-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165710374 538936940 /nfs/dbraw/zinc/93/69/40/538936940.db2.gz IAAJTSGJHXXRSS-NEPJUHHUSA-N 1 2 245.326 2.708 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)no1 ZINC000369618649 178240248 /nfs/dbraw/zinc/24/02/48/178240248.db2.gz JVXNRQXJNFCOQC-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccncc2)no1 ZINC000369618649 178240251 /nfs/dbraw/zinc/24/02/51/178240251.db2.gz JVXNRQXJNFCOQC-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)s2)no1 ZINC000076342665 398236351 /nfs/dbraw/zinc/23/63/51/398236351.db2.gz ULFDQXAJAXQICE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)s2)no1 ZINC000076342665 398236354 /nfs/dbraw/zinc/23/63/54/398236354.db2.gz ULFDQXAJAXQICE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)no1 ZINC000340524874 178253896 /nfs/dbraw/zinc/25/38/96/178253896.db2.gz CHMUTAISDZYWFH-LPEHRKFASA-N 1 2 212.268 2.524 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cccc(O)c2)no1 ZINC000282681111 178251738 /nfs/dbraw/zinc/25/17/38/178251738.db2.gz NLVRKWUAEYGWFR-JTQLQIEISA-N 1 2 232.283 2.539 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccncc2F)no1 ZINC000340384419 178257871 /nfs/dbraw/zinc/25/78/71/178257871.db2.gz OHYVTXUGNZIUCJ-ZJUUUORDSA-N 1 2 249.289 2.929 20 0 BFADLO COc1cc(C)c(-c2[nH]cc[nH+]2)cc1C ZINC000649439309 398237402 /nfs/dbraw/zinc/23/74/02/398237402.db2.gz RMFSVSDEOSHCFM-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cccn2C)no1 ZINC000371396395 178265797 /nfs/dbraw/zinc/26/57/97/178265797.db2.gz PJBRUUHTVVVDLW-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccn2C)no1 ZINC000371396395 178265798 /nfs/dbraw/zinc/26/57/98/178265798.db2.gz PJBRUUHTVVVDLW-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO CCOCc1ccc(-c2[nH]cc[nH+]2)cc1F ZINC000649438487 398240511 /nfs/dbraw/zinc/24/05/11/398240511.db2.gz CJRADJJZWPAHFB-UHFFFAOYSA-N 1 2 220.247 2.752 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC1(O)CCC1 ZINC000227928358 178298644 /nfs/dbraw/zinc/29/86/44/178298644.db2.gz NXWCWMHLAGCFNB-UHFFFAOYSA-N 1 2 242.322 2.870 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@H](C)CO ZINC000122165523 178299292 /nfs/dbraw/zinc/29/92/92/178299292.db2.gz UZXJUSSBUUBAHW-NEPJUHHUSA-N 1 2 244.338 2.972 20 0 BFADLO Fc1ccc(F)c(CNc2cccc[nH+]2)c1 ZINC000069831114 398248252 /nfs/dbraw/zinc/24/82/52/398248252.db2.gz HASZZJFRKKJSRN-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO Cc1nc(N2CCCC[C@@H]2C2CCC2)cc[nH+]1 ZINC000645410494 398248256 /nfs/dbraw/zinc/24/82/56/398248256.db2.gz LYHBUEXLYAKDAT-CYBMUJFWSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc2[nH+]cn([C@@H](C)[C@@H](C)O)c2cc1C ZINC000044183894 178304875 /nfs/dbraw/zinc/30/48/75/178304875.db2.gz OGHDURNJTIMPRL-WDEREUQCSA-N 1 2 218.300 2.595 20 0 BFADLO Cc1cc2[nH+]cn(CC(=O)C3CC3)c2cc1C ZINC000069075664 178305108 /nfs/dbraw/zinc/30/51/08/178305108.db2.gz SGWGNNTXVBWNHB-UHFFFAOYSA-N 1 2 228.295 2.632 20 0 BFADLO CCOc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286258549 538943690 /nfs/dbraw/zinc/94/36/90/538943690.db2.gz VABUUMZITKHBQN-JTQLQIEISA-N 1 2 231.299 2.982 20 0 BFADLO COc1cc[nH+]cc1CN1CCc2ccccc21 ZINC000287287079 538944279 /nfs/dbraw/zinc/94/42/79/538944279.db2.gz LZZCNKDCINTZRM-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO CC[C@H](C)[C@@H](CNc1[nH+]cccc1OC)OC ZINC000381206461 398253169 /nfs/dbraw/zinc/25/31/69/398253169.db2.gz WUIHZOPBEFUOIL-CMPLNLGQSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1ccnc([C@@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000576724805 365670688 /nfs/dbraw/zinc/67/06/88/365670688.db2.gz BQUXLNBYOKYXGS-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO CCN(c1cc[nH+]c(C2CC2)n1)C(C)C ZINC000171987873 346845842 /nfs/dbraw/zinc/84/58/42/346845842.db2.gz FEXYNKACBLNRFH-UHFFFAOYSA-N 1 2 205.305 2.589 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)on1 ZINC000044591009 342690737 /nfs/dbraw/zinc/69/07/37/342690737.db2.gz BASRDIQPRBVXRR-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)on1 ZINC000044591009 342690738 /nfs/dbraw/zinc/69/07/38/342690738.db2.gz BASRDIQPRBVXRR-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1csc([C@H](C)Nc2cc[nH+]c(C)n2)n1 ZINC000070734119 342698078 /nfs/dbraw/zinc/69/80/78/342698078.db2.gz RWPGDSKJCMLTEO-QMMMGPOBSA-N 1 2 234.328 2.723 20 0 BFADLO Fc1ccc(COCc2[nH]cc[nH+]2)cc1Cl ZINC000189115619 346860365 /nfs/dbraw/zinc/86/03/65/346860365.db2.gz FVMIRIWREQSATL-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO CCc1nc(C[N@@H+]2CCSC[C@H]2C)cs1 ZINC000172591278 346862104 /nfs/dbraw/zinc/86/21/04/346862104.db2.gz YPRHEYAAFUHDDZ-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CCc1nc(C[N@H+]2CCSC[C@H]2C)cs1 ZINC000172591278 346862108 /nfs/dbraw/zinc/86/21/08/346862108.db2.gz YPRHEYAAFUHDDZ-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO C[C@H]1CC[N@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000335291987 398284683 /nfs/dbraw/zinc/28/46/83/398284683.db2.gz MQSWWKLYDZLHAY-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)CC1(F)F ZINC000335291987 398284685 /nfs/dbraw/zinc/28/46/85/398284685.db2.gz MQSWWKLYDZLHAY-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO COc1ccc[nH+]c1NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624657395 342811094 /nfs/dbraw/zinc/81/10/94/342811094.db2.gz ORNUDMNMCWQDPU-GNXNZQSNSA-N 1 2 232.327 2.938 20 0 BFADLO Cc1cnccc1-c1c[nH+]c(C(C)C)n1C ZINC000630050393 361913142 /nfs/dbraw/zinc/91/31/42/361913142.db2.gz FZUUWNJDKPLNDR-UHFFFAOYSA-N 1 2 215.300 2.914 20 0 BFADLO Cc1nnsc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000649490546 398287803 /nfs/dbraw/zinc/28/78/03/398287803.db2.gz IVEMWSHIMCTYCE-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nnsc1C[N@H+](C)Cc1cccc(C)c1 ZINC000649490546 398287805 /nfs/dbraw/zinc/28/78/05/398287805.db2.gz IVEMWSHIMCTYCE-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(N2CC(Cc3cccs3)C2)nc[nH+]1 ZINC000624714444 342821574 /nfs/dbraw/zinc/82/15/74/342821574.db2.gz ANRLLTDDGLMSCM-UHFFFAOYSA-N 1 2 245.351 2.525 20 0 BFADLO CCn1nc(C)c(C[NH2+]CC(F)(F)CC)c1C ZINC000623679598 398290157 /nfs/dbraw/zinc/29/01/57/398290157.db2.gz APTUIYLFONFHJY-UHFFFAOYSA-N 1 2 245.317 2.655 20 0 BFADLO C/C=C\C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000624779465 342828521 /nfs/dbraw/zinc/82/85/21/342828521.db2.gz RWJQDESKDKOCGL-SCOBNMCVSA-N 1 2 231.343 2.968 20 0 BFADLO CCCCc1cc(NCCC(C)(F)F)nc[nH+]1 ZINC000631285618 342831319 /nfs/dbraw/zinc/83/13/19/342831319.db2.gz DWUCEAZJTPASFR-UHFFFAOYSA-N 1 2 243.301 2.698 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1nccn1C ZINC000381457910 539001182 /nfs/dbraw/zinc/00/11/82/539001182.db2.gz IYMNCAKNQVNSKA-QMMMGPOBSA-N 1 2 239.706 2.517 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(Cl)cn1 ZINC000381502593 539002316 /nfs/dbraw/zinc/00/23/16/539002316.db2.gz PGEIJEGOVZIZNR-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO Cn1cccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000381536286 539003206 /nfs/dbraw/zinc/00/32/06/539003206.db2.gz FOQPRKDQUGRKQC-UHFFFAOYSA-N 1 2 228.286 2.693 20 0 BFADLO C[C@H](c1ccco1)[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000649499353 398295395 /nfs/dbraw/zinc/29/53/95/398295395.db2.gz VNQZLEGQGNPJIH-LLVKDONJSA-N 1 2 245.326 2.615 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649499353 398295399 /nfs/dbraw/zinc/29/53/99/398295399.db2.gz VNQZLEGQGNPJIH-LLVKDONJSA-N 1 2 245.326 2.615 20 0 BFADLO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cocn2)s1 ZINC000390465286 539022175 /nfs/dbraw/zinc/02/21/75/539022175.db2.gz HPPUKCVPYAOYEC-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO CC(C)C[N@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625078662 342849514 /nfs/dbraw/zinc/84/95/14/342849514.db2.gz STPZPEUCQWHZHM-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)C[N@@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625078662 342849515 /nfs/dbraw/zinc/84/95/15/342849515.db2.gz STPZPEUCQWHZHM-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)[C@@H]1[N@H+](Cc2csnn2)CC12CCC2 ZINC000336478569 398319776 /nfs/dbraw/zinc/31/97/76/398319776.db2.gz QAVZIHGFTYIJIL-NSHDSACASA-N 1 2 237.372 2.549 20 0 BFADLO CC(C)[C@@H]1[N@@H+](Cc2csnn2)CC12CCC2 ZINC000336478569 398319778 /nfs/dbraw/zinc/31/97/78/398319778.db2.gz QAVZIHGFTYIJIL-NSHDSACASA-N 1 2 237.372 2.549 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](OCC)C1CC1 ZINC000625131790 342884250 /nfs/dbraw/zinc/88/42/50/342884250.db2.gz QNEKVFIQFANAOV-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](OCC)C1CC1 ZINC000625131790 342884251 /nfs/dbraw/zinc/88/42/51/342884251.db2.gz QNEKVFIQFANAOV-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC1(C)CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625132788 342885826 /nfs/dbraw/zinc/88/58/26/342885826.db2.gz VWGDDEIYNQWEAM-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ncccc1Cl ZINC000625179892 342902687 /nfs/dbraw/zinc/90/26/87/342902687.db2.gz UYBWIRSEVHMCGU-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ncccc1Cl ZINC000625179892 342902688 /nfs/dbraw/zinc/90/26/88/342902688.db2.gz UYBWIRSEVHMCGU-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@@H]1C ZINC000625212370 342914778 /nfs/dbraw/zinc/91/47/78/342914778.db2.gz HXHGWRNYEZRXAI-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@@H]1C ZINC000625212370 342914780 /nfs/dbraw/zinc/91/47/80/342914780.db2.gz HXHGWRNYEZRXAI-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO c1cc(N2CCC[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000602601112 349647545 /nfs/dbraw/zinc/64/75/45/349647545.db2.gz UXEWHAKBZMJKOK-GFCCVEGCSA-N 1 2 229.327 2.733 20 0 BFADLO CC1(C)CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000174250717 346879528 /nfs/dbraw/zinc/87/95/28/346879528.db2.gz DPEUCAWHWBKFTD-UHFFFAOYSA-N 1 2 229.274 2.510 20 0 BFADLO CC1(C)CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000174250717 346879530 /nfs/dbraw/zinc/87/95/30/346879530.db2.gz DPEUCAWHWBKFTD-UHFFFAOYSA-N 1 2 229.274 2.510 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=CC1CCCC1 ZINC000493616812 529502430 /nfs/dbraw/zinc/50/24/30/529502430.db2.gz AGIDZSNHNBBAGE-BQYQJAHWSA-N 1 2 244.338 2.751 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000351825642 136256009 /nfs/dbraw/zinc/25/60/09/136256009.db2.gz IILTYMSWTGDBGY-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000351825642 136256010 /nfs/dbraw/zinc/25/60/10/136256010.db2.gz IILTYMSWTGDBGY-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccc[nH]2)s1 ZINC000354026095 187209141 /nfs/dbraw/zinc/20/91/41/187209141.db2.gz NKXPXNUZGVVTHW-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccc[nH]2)s1 ZINC000354026095 187209143 /nfs/dbraw/zinc/20/91/43/187209143.db2.gz NKXPXNUZGVVTHW-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493123973 529572608 /nfs/dbraw/zinc/57/26/08/529572608.db2.gz VVQAJKAABVHQAQ-ABZNLYFFSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccnc2)cs1 ZINC000020253226 342978653 /nfs/dbraw/zinc/97/86/53/342978653.db2.gz UEKOBARAZGKLLJ-SECBINFHSA-N 1 2 233.340 2.697 20 0 BFADLO C/C=C\C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000358122845 187214825 /nfs/dbraw/zinc/21/48/25/187214825.db2.gz MVJZOOCRGGPUHO-XVWMLYKFSA-N 1 2 223.341 2.523 20 0 BFADLO Cc1nn(-c2cc[nH+]cc2Cl)c(C)c1C ZINC000634609223 343007820 /nfs/dbraw/zinc/00/78/20/343007820.db2.gz ZVQRRFQKCDKNCI-UHFFFAOYSA-N 1 2 221.691 2.846 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000049367619 343017943 /nfs/dbraw/zinc/01/79/43/343017943.db2.gz IOBPMZHHZXXSDV-VXGBXAGGSA-N 1 2 249.354 2.851 20 0 BFADLO Cc1nc(N2CCC[C@H]2CC(C)C)cc[nH+]1 ZINC000360995921 187218238 /nfs/dbraw/zinc/21/82/38/187218238.db2.gz JTJOESZUWJYXPN-LBPRGKRZSA-N 1 2 219.332 2.800 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377525858 187225662 /nfs/dbraw/zinc/22/56/62/187225662.db2.gz SOEWFIILABQQFK-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000377525858 187225664 /nfs/dbraw/zinc/22/56/64/187225664.db2.gz SOEWFIILABQQFK-GFCCVEGCSA-N 1 2 247.342 2.569 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@H](C)c2ccco2)n1 ZINC000085161069 343084085 /nfs/dbraw/zinc/08/40/85/343084085.db2.gz HCYJYQQLWLAALJ-LLVKDONJSA-N 1 2 233.315 2.908 20 0 BFADLO Fc1cccc(Cl)c1CNc1c[nH]c[nH+]1 ZINC000380179178 343088581 /nfs/dbraw/zinc/08/85/81/343088581.db2.gz LCUZZBHQBPVWBD-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccc(C)n2)cs1 ZINC000049591313 343113733 /nfs/dbraw/zinc/11/37/33/343113733.db2.gz HIKCVEDKCZKNNO-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2C[C@H]2C(C)C)cc(C)[nH+]1 ZINC000421575285 192354932 /nfs/dbraw/zinc/35/49/32/192354932.db2.gz JQTFHLYMUQXPBC-KBPBESRZSA-N 1 2 246.354 2.607 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccccc1 ZINC000036901397 343327206 /nfs/dbraw/zinc/32/72/06/343327206.db2.gz MXIXIGQACZHJQZ-JTQLQIEISA-N 1 2 215.300 2.569 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)[C@@H]1C ZINC000335607607 136298390 /nfs/dbraw/zinc/29/83/90/136298390.db2.gz ATLMUEUMXSDEGD-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)[C@@H]1C ZINC000335607607 136298391 /nfs/dbraw/zinc/29/83/91/136298391.db2.gz ATLMUEUMXSDEGD-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO CC(C)OCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000177555758 346932929 /nfs/dbraw/zinc/93/29/29/346932929.db2.gz BKRXKSJAXJGKCZ-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2CCSC2)cc1 ZINC000036335239 343316402 /nfs/dbraw/zinc/31/64/02/343316402.db2.gz STRVJCWDCGBDBM-NSHDSACASA-N 1 2 222.357 2.670 20 0 BFADLO CN(C)c1ccc([NH2+][C@H]2CCSC2)cc1 ZINC000036335239 343316405 /nfs/dbraw/zinc/31/64/05/343316405.db2.gz STRVJCWDCGBDBM-NSHDSACASA-N 1 2 222.357 2.670 20 0 BFADLO COC(=O)[C@@H]([NH2+]C1CCCC1)c1ccccc1C ZINC000037970221 343363113 /nfs/dbraw/zinc/36/31/13/343363113.db2.gz VZBCBQKVOMCKKA-AWEZNQCLSA-N 1 2 247.338 2.741 20 0 BFADLO C[NH+](C)[C@H](c1nc(C2CC2)no1)c1ccccc1 ZINC000348910980 136306903 /nfs/dbraw/zinc/30/69/03/136306903.db2.gz XQASLHQVZLRIBP-LBPRGKRZSA-N 1 2 243.310 2.598 20 0 BFADLO c1cc(N2CCCC2)c[nH+]c1N[C@@H]1CCSC1 ZINC000335661155 136315277 /nfs/dbraw/zinc/31/52/77/136315277.db2.gz WKGNNQWIQVPXBX-LLVKDONJSA-N 1 2 249.383 2.599 20 0 BFADLO CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000275105723 187338085 /nfs/dbraw/zinc/33/80/85/187338085.db2.gz KPYJXZSHINORQP-QWRGUYRKSA-N 1 2 243.310 2.565 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1cccc(O)c1 ZINC000040505103 343405782 /nfs/dbraw/zinc/40/57/82/343405782.db2.gz CBRIWKICQULMCQ-SECBINFHSA-N 1 2 234.324 2.700 20 0 BFADLO CCCn1nccc1C[NH2+][C@H]1CCCC1(F)F ZINC000398235307 488215470 /nfs/dbraw/zinc/21/54/70/488215470.db2.gz YPFAHOZYRMWIBR-NSHDSACASA-N 1 2 243.301 2.571 20 0 BFADLO Clc1ccc2c(c1)[C@H]([NH+]1CCOCC1)CC2 ZINC000335721213 136345896 /nfs/dbraw/zinc/34/58/96/136345896.db2.gz QTPYCTQGYMRNSX-CYBMUJFWSA-N 1 2 237.730 2.660 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCC(C)(C)CC1 ZINC000335828934 136352922 /nfs/dbraw/zinc/35/29/22/136352922.db2.gz UFJKNIANYVLXON-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000351107790 136367920 /nfs/dbraw/zinc/36/79/20/136367920.db2.gz ZFFYXFFFFNAMRQ-CQSZACIVSA-N 1 2 237.318 2.683 20 0 BFADLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000351107790 136367921 /nfs/dbraw/zinc/36/79/21/136367921.db2.gz ZFFYXFFFFNAMRQ-CQSZACIVSA-N 1 2 237.318 2.683 20 0 BFADLO Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccon1 ZINC000351578977 136369236 /nfs/dbraw/zinc/36/92/36/136369236.db2.gz IPWIFWSTBQJEJB-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1ccc(F)cc1C[NH2+][C@@H](C)c1ccon1 ZINC000351578976 136369439 /nfs/dbraw/zinc/36/94/39/136369439.db2.gz IPWIFWSTBQJEJB-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO CCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000047979050 343569765 /nfs/dbraw/zinc/56/97/65/343569765.db2.gz VPIXIUMELLWHPN-CYBMUJFWSA-N 1 2 235.327 2.681 20 0 BFADLO CCC[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421564571 192362548 /nfs/dbraw/zinc/36/25/48/192362548.db2.gz ZOJQMFQYSYPNNE-JTQLQIEISA-N 1 2 234.343 2.751 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000390329074 537791486 /nfs/dbraw/zinc/79/14/86/537791486.db2.gz KACFWGYKJIRKSQ-RNFRBKRXSA-N 1 2 235.253 2.710 20 0 BFADLO CCC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421575069 192364106 /nfs/dbraw/zinc/36/41/06/192364106.db2.gz IPOHZQYOHFKFIB-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000421574357 192364385 /nfs/dbraw/zinc/36/43/85/192364385.db2.gz FPAPLKQBXVSNOO-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO Cc1cc(N(C)[C@@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000557497167 343696393 /nfs/dbraw/zinc/69/63/93/343696393.db2.gz PFXICQIQWOWZJW-JTQLQIEISA-N 1 2 231.343 2.897 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2cccc(C)c2C)n1 ZINC000628290714 346962332 /nfs/dbraw/zinc/96/23/32/346962332.db2.gz SFUFPRODEBUAIZ-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2cccc(C)c2C)n1 ZINC000628290714 346962335 /nfs/dbraw/zinc/96/23/35/346962335.db2.gz SFUFPRODEBUAIZ-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@@H]2C(C)C)cc[nH+]1 ZINC000292863844 187348811 /nfs/dbraw/zinc/34/88/11/187348811.db2.gz XCRPXBDYQQOPLF-LBPRGKRZSA-N 1 2 219.332 2.656 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574361 192364494 /nfs/dbraw/zinc/36/44/94/192364494.db2.gz FPDDVYWCLLQPJH-ZFWWWQNUSA-N 1 2 246.354 2.751 20 0 BFADLO C[C@@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000576528175 343752975 /nfs/dbraw/zinc/75/29/75/343752975.db2.gz DEZUPDVWZCGUSC-KXNHARMFSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1ccc(CNc2ccn(C(C)C)n2)c(C)[nH+]1 ZINC000359702494 178590589 /nfs/dbraw/zinc/59/05/89/178590589.db2.gz ZNUXHIHIHKLHTA-UHFFFAOYSA-N 1 2 244.342 2.510 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@H](C)C1 ZINC000625484285 343881852 /nfs/dbraw/zinc/88/18/52/343881852.db2.gz DCRSHZFRQGCADI-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@H](C)C1 ZINC000625484285 343881853 /nfs/dbraw/zinc/88/18/53/343881853.db2.gz DCRSHZFRQGCADI-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000620287636 343889021 /nfs/dbraw/zinc/88/90/21/343889021.db2.gz RKHSMAAYWKWKBN-LBPRGKRZSA-N 1 2 249.358 2.529 20 0 BFADLO CCc1cc(NCc2sc(C)nc2C)nc[nH+]1 ZINC000078380996 343954447 /nfs/dbraw/zinc/95/44/47/343954447.db2.gz FHSPLSCMZMBWOG-UHFFFAOYSA-N 1 2 248.355 2.724 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnc(C)o2)o1 ZINC000628119719 343968226 /nfs/dbraw/zinc/96/82/26/343968226.db2.gz HYRFWCPTWBZGIH-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnc(C)o2)o1 ZINC000628119719 343968228 /nfs/dbraw/zinc/96/82/28/343968228.db2.gz HYRFWCPTWBZGIH-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726738 344057842 /nfs/dbraw/zinc/05/78/42/344057842.db2.gz BPJLEPNATUBOOB-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726738 344057845 /nfs/dbraw/zinc/05/78/45/344057845.db2.gz BPJLEPNATUBOOB-NSHDSACASA-N 1 2 240.306 2.864 20 0 BFADLO C[C@@H](Cc1cccs1)Nc1cc(CO)cc[nH+]1 ZINC000641286041 362345904 /nfs/dbraw/zinc/34/59/04/362345904.db2.gz PKVFNOJIZDGUDC-JTQLQIEISA-N 1 2 248.351 2.679 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(CNc2cc[nH+]cc2F)o1 ZINC000641302133 362353961 /nfs/dbraw/zinc/35/39/61/362353961.db2.gz YSPQGJGFXZSLDS-MWLCHTKSSA-N 1 2 246.285 2.971 20 0 BFADLO CC(C)CC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641306956 362356221 /nfs/dbraw/zinc/35/62/21/362356221.db2.gz BLYQYIIDVPLLFY-LLVKDONJSA-N 1 2 222.332 2.811 20 0 BFADLO Cc1c[nH]c(CN(C)[C@@H](C)c2ccco2)[nH+]1 ZINC000628132251 344166649 /nfs/dbraw/zinc/16/66/49/344166649.db2.gz AQGCBXLDPCNPGL-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO CCc1ccc(CNc2cc(CO)cc[nH+]2)cc1 ZINC000641314846 362359557 /nfs/dbraw/zinc/35/95/57/362359557.db2.gz BFHOQURFRHJKCA-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C)CC2)[nH+]1 ZINC000080787004 344133730 /nfs/dbraw/zinc/13/37/30/344133730.db2.gz QZKNPJOUTNQOOT-SNVBAGLBSA-N 1 2 244.342 2.893 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000628128112 344156962 /nfs/dbraw/zinc/15/69/62/344156962.db2.gz OYSDNTVRZGBQSU-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3sccc3C2)o1 ZINC000628128112 344156963 /nfs/dbraw/zinc/15/69/63/344156963.db2.gz OYSDNTVRZGBQSU-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO C[C@@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)[C@H](C)O1 ZINC000384902837 344221600 /nfs/dbraw/zinc/22/16/00/344221600.db2.gz NQFXVWLLKNLSDI-JFGNBEQYSA-N 1 2 245.326 2.551 20 0 BFADLO CC(C)(C)C[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641319430 362363905 /nfs/dbraw/zinc/36/39/05/362363905.db2.gz KGMAWARNXCIIEL-ZDUSSCGKSA-N 1 2 248.370 2.979 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](C)c2cccs2)n1 ZINC000628137191 344260157 /nfs/dbraw/zinc/26/01/57/344260157.db2.gz AGKIFUCKJBBQNT-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@@H](C)c2cccs2)n1 ZINC000628137191 344260160 /nfs/dbraw/zinc/26/01/60/344260160.db2.gz AGKIFUCKJBBQNT-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1[nH+]cccc1OC ZINC000387723585 347043802 /nfs/dbraw/zinc/04/38/02/347043802.db2.gz PYNIZONUDYEQMN-ZJUUUORDSA-N 1 2 206.289 2.548 20 0 BFADLO Cc1ccc(CSc2nncs2)c(C)[nH+]1 ZINC000336410355 178645490 /nfs/dbraw/zinc/64/54/90/178645490.db2.gz IMVRIDJRVCOIPE-UHFFFAOYSA-N 1 2 237.353 2.842 20 0 BFADLO COc1cc[nH+]cc1CSC[C@@H]1C[C@@H]1C ZINC000600631050 344346093 /nfs/dbraw/zinc/34/60/93/344346093.db2.gz BDDUPQREDJCWQQ-UWVGGRQHSA-N 1 2 223.341 2.979 20 0 BFADLO CC1(CNc2[nH+]cccc2OC(F)F)CC1 ZINC000381462377 344509442 /nfs/dbraw/zinc/50/94/42/344509442.db2.gz KBIAMKUTPHRFAD-UHFFFAOYSA-N 1 2 228.242 2.895 20 0 BFADLO CCc1cc(N[C@@H](C)[C@@H](C)CC)nc[nH+]1 ZINC000042556916 344458299 /nfs/dbraw/zinc/45/82/99/344458299.db2.gz YOXCJQJUUDSBPF-UWVGGRQHSA-N 1 2 207.321 2.886 20 0 BFADLO CC[C@@H](C)C[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641401193 362394543 /nfs/dbraw/zinc/39/45/43/362394543.db2.gz IMJJGWXELFKLHO-GHMZBOCLSA-N 1 2 222.332 2.811 20 0 BFADLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000381280847 344491426 /nfs/dbraw/zinc/49/14/26/344491426.db2.gz YCQZLQKOPIFFTK-MRVPVSSYSA-N 1 2 249.364 2.927 20 0 BFADLO CC[C@H](C)C[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641401198 362394702 /nfs/dbraw/zinc/39/47/02/362394702.db2.gz IMJJGWXELFKLHO-QWRGUYRKSA-N 1 2 222.332 2.811 20 0 BFADLO CSC1(CNc2cc3cc[nH]c3c[nH+]2)CC1 ZINC000381563248 344521245 /nfs/dbraw/zinc/52/12/45/344521245.db2.gz SCSYGJNBHJXPMK-UHFFFAOYSA-N 1 2 233.340 2.870 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]cc2F)CCS1 ZINC000641405947 362397281 /nfs/dbraw/zinc/39/72/81/362397281.db2.gz CMJNVKXJCCOSIC-VIFPVBQESA-N 1 2 226.320 2.553 20 0 BFADLO Cc1cccc(C)c1CNc1cc(CO)cc[nH+]1 ZINC000641445843 362423164 /nfs/dbraw/zinc/42/31/64/362423164.db2.gz YTDYXVGFSLGTFZ-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO COc1ccccc1SCc1cn(C)c[nH+]1 ZINC000641447606 362424575 /nfs/dbraw/zinc/42/45/75/362424575.db2.gz OWEOUPPNPBMKOU-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO CC[C@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641434080 362415027 /nfs/dbraw/zinc/41/50/27/362415027.db2.gz YORMXQORLHMPLI-RYUDHWBXSA-N 1 2 220.316 2.565 20 0 BFADLO CC(C)CC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641432868 362416145 /nfs/dbraw/zinc/41/61/45/362416145.db2.gz QONLVHUUGRNEHB-UHFFFAOYSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@H]2CCCC[C@@H]12 ZINC000641485650 362456001 /nfs/dbraw/zinc/45/60/01/362456001.db2.gz JIZTWTRTFJCFJL-XBFCOCLRSA-N 1 2 246.354 2.589 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc[nH+]cc1F ZINC000641490424 362458727 /nfs/dbraw/zinc/45/87/27/362458727.db2.gz YKYVXGKMTIMTAM-SSDOTTSWSA-N 1 2 236.212 2.786 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc[nH+]cc1F ZINC000641546001 362493239 /nfs/dbraw/zinc/49/32/39/362493239.db2.gz SEZKKTATAXLRKJ-SFYZADRCSA-N 1 2 248.223 2.998 20 0 BFADLO C[C@H]1CC2(CCC2)CN1c1cc[nH+]cc1F ZINC000641537921 362487355 /nfs/dbraw/zinc/48/73/55/362487355.db2.gz QFQSFQLZSCVBJR-JTQLQIEISA-N 1 2 220.291 2.990 20 0 BFADLO C[C@@H]1CC2(CCC2)CN1c1cc[nH+]cc1F ZINC000641537924 362487951 /nfs/dbraw/zinc/48/79/51/362487951.db2.gz QFQSFQLZSCVBJR-SNVBAGLBSA-N 1 2 220.291 2.990 20 0 BFADLO Cc1ccc(N(C)CCCn2cc[nH+]c2)cc1 ZINC000182745341 178698483 /nfs/dbraw/zinc/69/84/83/178698483.db2.gz OTINTBIVTGLASS-UHFFFAOYSA-N 1 2 229.327 2.718 20 0 BFADLO C[C@H]1[C@@H](C)[N@@H+](Cc2nnsc2Cl)C[C@H]1C ZINC000306956849 344640406 /nfs/dbraw/zinc/64/04/06/344640406.db2.gz SFBPMQOGOLMBSJ-BWZBUEFSSA-N 1 2 245.779 2.668 20 0 BFADLO C[C@H]1[C@@H](C)[N@H+](Cc2nnsc2Cl)C[C@H]1C ZINC000306956849 344640407 /nfs/dbraw/zinc/64/04/07/344640407.db2.gz SFBPMQOGOLMBSJ-BWZBUEFSSA-N 1 2 245.779 2.668 20 0 BFADLO CC[C@H]([NH2+]Cc1csnn1)c1cccs1 ZINC000049529394 344649004 /nfs/dbraw/zinc/64/90/04/344649004.db2.gz OLHZPCLBAFXCOO-VIFPVBQESA-N 1 2 239.369 2.841 20 0 BFADLO CS[C@H]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000603295946 349915113 /nfs/dbraw/zinc/91/51/13/349915113.db2.gz XJBKFVJLACVAHO-UWVGGRQHSA-N 1 2 240.347 2.729 20 0 BFADLO Cc1c[nH+]cc(CCc2nc([C@@H]3C[C@H]3C)no2)c1 ZINC000350538775 344710196 /nfs/dbraw/zinc/71/01/96/344710196.db2.gz WVWMRHVFYWVZCM-ZYHUDNBSSA-N 1 2 243.310 2.682 20 0 BFADLO CCS[C@@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000603303305 349916585 /nfs/dbraw/zinc/91/65/85/349916585.db2.gz IDGNSRQYRQBHHE-NWDGAFQWSA-N 1 2 240.347 2.729 20 0 BFADLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nnsc1Cl ZINC000075022324 344762570 /nfs/dbraw/zinc/76/25/70/344762570.db2.gz QYJLTFYRGFKVOC-SFYZADRCSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnsc1Cl ZINC000075022324 344762572 /nfs/dbraw/zinc/76/25/72/344762572.db2.gz QYJLTFYRGFKVOC-SFYZADRCSA-N 1 2 245.779 2.812 20 0 BFADLO CC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023174 344763016 /nfs/dbraw/zinc/76/30/16/344763016.db2.gz YIFVIICAOAHOLH-MRVPVSSYSA-N 1 2 231.748 2.795 20 0 BFADLO CC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000075023174 344763017 /nfs/dbraw/zinc/76/30/17/344763017.db2.gz YIFVIICAOAHOLH-MRVPVSSYSA-N 1 2 231.748 2.795 20 0 BFADLO C[C@H](Cc1nc([C@@H](C)C2CC2)no1)n1cc[nH+]c1 ZINC000351419625 344752915 /nfs/dbraw/zinc/75/29/15/344752915.db2.gz DMGKKFKNXPBBQB-ZJUUUORDSA-N 1 2 246.314 2.583 20 0 BFADLO CCS[C@H]1CCC[C@@H]1Nc1cc[nH+]cc1F ZINC000603303308 349916427 /nfs/dbraw/zinc/91/64/27/349916427.db2.gz IDGNSRQYRQBHHE-RYUDHWBXSA-N 1 2 240.347 2.729 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cnc(C2CC2)o1 ZINC000628152679 344841123 /nfs/dbraw/zinc/84/11/23/344841123.db2.gz KOFNWCHLJRLPBD-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cnc(C2CC2)o1 ZINC000628152679 344841126 /nfs/dbraw/zinc/84/11/26/344841126.db2.gz KOFNWCHLJRLPBD-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO CCN(CCC(F)(F)F)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628160268 344858941 /nfs/dbraw/zinc/85/89/41/344858941.db2.gz OYMMURZLVNXDKY-UHFFFAOYSA-N 1 2 249.280 2.801 20 0 BFADLO Cc1ccc(NCc2cccc(O)c2)c[nH+]1 ZINC000083347806 178763614 /nfs/dbraw/zinc/76/36/14/178763614.db2.gz SNKLDSYCZLKVAO-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO Cc1nc(N(C)CCc2cccs2)cc[nH+]1 ZINC000078527782 344880722 /nfs/dbraw/zinc/88/07/22/344880722.db2.gz PSXMYHGVOGZSKV-UHFFFAOYSA-N 1 2 233.340 2.525 20 0 BFADLO CO[C@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2)C1 ZINC000234772493 537872283 /nfs/dbraw/zinc/87/22/83/537872283.db2.gz NYVBABOWBKFWQR-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO Cc1ccccc1SCCn1cc[nH+]c1 ZINC000121902041 187295503 /nfs/dbraw/zinc/29/55/03/187295503.db2.gz JZHSHPFUEJVVST-UHFFFAOYSA-N 1 2 218.325 2.984 20 0 BFADLO Cc1c[nH]c(CNc2cccc(N(C)C)c2C)[nH+]1 ZINC000628198626 344963520 /nfs/dbraw/zinc/96/35/20/344963520.db2.gz FGYKDCNPQPTXPK-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)no1 ZINC000626105075 344968627 /nfs/dbraw/zinc/96/86/27/344968627.db2.gz RPFDWAVYOUZMOW-FZMZJTMJSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)no1 ZINC000626105075 344968629 /nfs/dbraw/zinc/96/86/29/344968629.db2.gz RPFDWAVYOUZMOW-FZMZJTMJSA-N 1 2 249.358 2.958 20 0 BFADLO CO[C@@H]1CCC[C@H](Nc2ccc(C)[nH+]c2)C1 ZINC000234835053 537879478 /nfs/dbraw/zinc/87/94/78/537879478.db2.gz NYVBABOWBKFWQR-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO COc1ccc(NCC2(C)CCC2)[nH+]c1 ZINC000234973977 537883299 /nfs/dbraw/zinc/88/32/99/537883299.db2.gz MDXOZJQYMJJFBQ-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2ncccn2)c1 ZINC000569624650 345051389 /nfs/dbraw/zinc/05/13/89/345051389.db2.gz ZLHXROZJAVMFGS-UHFFFAOYSA-N 1 2 241.338 2.719 20 0 BFADLO Fc1c[nH+]ccc1N1CCCc2occc2C1 ZINC000641601743 362539392 /nfs/dbraw/zinc/53/93/92/362539392.db2.gz JJKPXJILOHIGKL-UHFFFAOYSA-N 1 2 232.258 2.767 20 0 BFADLO C[C@H]1[C@@H](C)N(c2cc[nH+]cc2F)C[C@H]1C ZINC000641636348 362567527 /nfs/dbraw/zinc/56/75/27/362567527.db2.gz GAYOFYRSYSESIJ-OPRDCNLKSA-N 1 2 208.280 2.701 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]cc2F)C[C@H](CC)O1 ZINC000641641539 362571163 /nfs/dbraw/zinc/57/11/63/362571163.db2.gz ZTODKPGGOKQVIK-QWRGUYRKSA-N 1 2 238.306 2.615 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CSc3ccccc32)no1 ZINC000155883297 345109902 /nfs/dbraw/zinc/10/99/02/345109902.db2.gz NSCAQEMENXAKOZ-LBPRGKRZSA-N 1 2 246.335 2.920 20 0 BFADLO CC(C)(CNc1cc(CO)cc[nH+]1)C1CCC1 ZINC000641631396 362563105 /nfs/dbraw/zinc/56/31/05/362563105.db2.gz BEASTJHRWPUPOK-UHFFFAOYSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@@H](CNc1cc[nH+]cc1F)CC(F)(F)F ZINC000641634188 362563866 /nfs/dbraw/zinc/56/38/66/362563866.db2.gz KJTXWNMFKZWKOZ-SSDOTTSWSA-N 1 2 236.212 2.643 20 0 BFADLO c1cc(CNc2c[nH+]cc3c2CCCC3)no1 ZINC000634986497 345166515 /nfs/dbraw/zinc/16/65/15/345166515.db2.gz XAQCDUPNBOPFED-UHFFFAOYSA-N 1 2 229.283 2.561 20 0 BFADLO COC[C@@H]([NH2+]Cc1occc1C)c1ccc(C)o1 ZINC000080238234 345124701 /nfs/dbraw/zinc/12/47/01/345124701.db2.gz LMYHCAPODISSJR-GFCCVEGCSA-N 1 2 249.310 2.967 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccc1Cl ZINC000156113337 345128760 /nfs/dbraw/zinc/12/87/60/345128760.db2.gz FWMFXFNSKKGWLG-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccccc1Cl ZINC000156113337 345128763 /nfs/dbraw/zinc/12/87/63/345128763.db2.gz FWMFXFNSKKGWLG-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO FC(F)C1([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634979663 345160529 /nfs/dbraw/zinc/16/05/29/345160529.db2.gz LAZKWLQAEIFZOE-UHFFFAOYSA-N 1 2 249.264 2.517 20 0 BFADLO Cc1nc(N[C@H]2C[C@]2(F)c2ccccc2)cc[nH+]1 ZINC000425273451 192087037 /nfs/dbraw/zinc/08/70/37/192087037.db2.gz OKNUSQMVEWWTFP-JSGCOSHPSA-N 1 2 243.285 2.834 20 0 BFADLO CC(C)(C)c1nc(NCC2CCC2)cc[nH+]1 ZINC000080771324 345450699 /nfs/dbraw/zinc/45/06/99/345450699.db2.gz LPTJXUMYLJPSOM-UHFFFAOYSA-N 1 2 219.332 2.986 20 0 BFADLO C/C(=C\C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000176187696 187306271 /nfs/dbraw/zinc/30/62/71/187306271.db2.gz FVLBRTMLZQZXJZ-CMDGGOBGSA-N 1 2 230.311 2.993 20 0 BFADLO CC(C)c1cc(NC(C)(C)c2[nH]cc[nH+]2)ncn1 ZINC000641663027 362586516 /nfs/dbraw/zinc/58/65/16/362586516.db2.gz MAESJZOVZCHDLI-UHFFFAOYSA-N 1 2 245.330 2.670 20 0 BFADLO Cc1ccc(NC(=O)C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000176188976 187306318 /nfs/dbraw/zinc/30/63/18/187306318.db2.gz PZWLMDLCZFVDAO-LBPRGKRZSA-N 1 2 248.326 2.596 20 0 BFADLO CC(C)[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171971635 187304598 /nfs/dbraw/zinc/30/45/98/187304598.db2.gz CTSZWWDRXNPCRD-RYUDHWBXSA-N 1 2 249.358 2.755 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C)[C@@H]2C)[nH+]1 ZINC000081004837 345457058 /nfs/dbraw/zinc/45/70/58/345457058.db2.gz RGQIKHBZCVGCNZ-UWVGGRQHSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000081004841 345457102 /nfs/dbraw/zinc/45/71/02/345457102.db2.gz RGQIKHBZCVGCNZ-ZJUUUORDSA-N 1 2 244.342 2.891 20 0 BFADLO CCN(CC1CC1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000080982635 345458370 /nfs/dbraw/zinc/45/83/70/345458370.db2.gz ZNZUZGRYFXJVMF-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO COC[C@H](Nc1cccc[nH+]1)c1ccc(C)o1 ZINC000081009648 345460787 /nfs/dbraw/zinc/46/07/87/345460787.db2.gz BFVBZYBOSJXNKL-NSHDSACASA-N 1 2 232.283 2.783 20 0 BFADLO CCC1(CNc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000081011507 345461469 /nfs/dbraw/zinc/46/14/69/345461469.db2.gz GRMZKHHWGTUTQF-UHFFFAOYSA-N 1 2 230.315 2.868 20 0 BFADLO CC(=O)[C@@H](C)SCc1c(C)[nH+]c2ccccn21 ZINC000083124720 345508970 /nfs/dbraw/zinc/50/89/70/345508970.db2.gz YPHUTZQHTWZHGE-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO c1cn2cc(C[N@@H+]3CCC34CCC4)nc2s1 ZINC000081515653 345482663 /nfs/dbraw/zinc/48/26/63/345482663.db2.gz DQZUTERQCOPGEN-UHFFFAOYSA-N 1 2 233.340 2.524 20 0 BFADLO c1cn2cc(C[N@H+]3CCC34CCC4)nc2s1 ZINC000081515653 345482664 /nfs/dbraw/zinc/48/26/64/345482664.db2.gz DQZUTERQCOPGEN-UHFFFAOYSA-N 1 2 233.340 2.524 20 0 BFADLO CC(C)c1cc(-n2cc[nH+]c2)nc(C(C)C)n1 ZINC000090067623 345564170 /nfs/dbraw/zinc/56/41/70/345564170.db2.gz IGFUCLXQLREGGP-UHFFFAOYSA-N 1 2 230.315 2.909 20 0 BFADLO CC(C)[N@@H+](Cc1ccn(C)c1)CC(F)F ZINC000092045198 345614435 /nfs/dbraw/zinc/61/44/35/345614435.db2.gz AANNMAXMMZGCTE-UHFFFAOYSA-N 1 2 216.275 2.501 20 0 BFADLO CC(C)[N@H+](Cc1ccn(C)c1)CC(F)F ZINC000092045198 345614437 /nfs/dbraw/zinc/61/44/37/345614437.db2.gz AANNMAXMMZGCTE-UHFFFAOYSA-N 1 2 216.275 2.501 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccoc2)s1 ZINC000093807696 345664793 /nfs/dbraw/zinc/66/47/93/345664793.db2.gz HWFNEJXSFBHZQJ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccoc2)s1 ZINC000093807696 345664794 /nfs/dbraw/zinc/66/47/94/345664794.db2.gz HWFNEJXSFBHZQJ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO COc1cnn(Cc2ccc(C(C)C)[nH+]c2C)c1 ZINC000641728653 362649107 /nfs/dbraw/zinc/64/91/07/362649107.db2.gz FEOFYZDIPJTVJD-UHFFFAOYSA-N 1 2 245.326 2.767 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@@H](C)C(C)C)[nH+]1 ZINC000226193178 345751112 /nfs/dbraw/zinc/75/11/12/345751112.db2.gz DLHDPNRJEKLCJZ-VIFPVBQESA-N 1 2 232.331 2.747 20 0 BFADLO c1cn(-c2ccccc2OCC2CC2)c[nH+]1 ZINC000140799285 345822919 /nfs/dbraw/zinc/82/29/19/345822919.db2.gz IZVVJOXQOBNOOB-UHFFFAOYSA-N 1 2 214.268 2.661 20 0 BFADLO CC(C)(C)c1cc(COc2cc[nH+]cc2)no1 ZINC000418949924 192092071 /nfs/dbraw/zinc/09/20/71/192092071.db2.gz FZKSLLMZDBWUJV-UHFFFAOYSA-N 1 2 232.283 2.946 20 0 BFADLO CCC(CC)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635608849 345885561 /nfs/dbraw/zinc/88/55/61/345885561.db2.gz ZSVYIQZFLWFBIP-GHMZBOCLSA-N 1 2 249.358 2.598 20 0 BFADLO CCC(CC)(CC)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635608849 345885563 /nfs/dbraw/zinc/88/55/63/345885563.db2.gz ZSVYIQZFLWFBIP-GHMZBOCLSA-N 1 2 249.358 2.598 20 0 BFADLO C[C@@H]1CN(Cc2c[nH+]cn2C)c2ccccc21 ZINC000177010789 345904011 /nfs/dbraw/zinc/90/40/11/345904011.db2.gz UZNHYMUPLRDVDK-LLVKDONJSA-N 1 2 227.311 2.544 20 0 BFADLO CCC[C@H](C)N(C)c1cc(CC)[nH+]cn1 ZINC000603383109 349941066 /nfs/dbraw/zinc/94/10/66/349941066.db2.gz YCOFCGLHWKVIOB-JTQLQIEISA-N 1 2 207.321 2.664 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000188980762 187312412 /nfs/dbraw/zinc/31/24/12/187312412.db2.gz YRWUJJBVLZFOFK-VZUCSPMQSA-N 1 2 218.300 2.993 20 0 BFADLO C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)[C@H]1C ZINC000419016053 192094020 /nfs/dbraw/zinc/09/40/20/192094020.db2.gz LXWGHBMGRHNNNL-VWYCJHECSA-N 1 2 246.358 2.532 20 0 BFADLO C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)[C@@H](C)[C@H]1C ZINC000419016053 192094022 /nfs/dbraw/zinc/09/40/22/192094022.db2.gz LXWGHBMGRHNNNL-VWYCJHECSA-N 1 2 246.358 2.532 20 0 BFADLO C[C@@H]1[C@H](C)CN(c2cc(NC3CC3)[nH+]cn2)[C@H]1C ZINC000419016051 192094172 /nfs/dbraw/zinc/09/41/72/192094172.db2.gz LXWGHBMGRHNNNL-MXWKQRLJSA-N 1 2 246.358 2.532 20 0 BFADLO C[C@@H]1[C@H](C)CN(c2cc(NC3CC3)nc[nH+]2)[C@H]1C ZINC000419016051 192094173 /nfs/dbraw/zinc/09/41/73/192094173.db2.gz LXWGHBMGRHNNNL-MXWKQRLJSA-N 1 2 246.358 2.532 20 0 BFADLO Cc1cscc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635722030 346030871 /nfs/dbraw/zinc/03/08/71/346030871.db2.gz IFQWOFWCBLARTF-RKDXNWHRSA-N 1 2 247.323 2.522 20 0 BFADLO Cc1cscc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635722030 346030873 /nfs/dbraw/zinc/03/08/73/346030873.db2.gz IFQWOFWCBLARTF-RKDXNWHRSA-N 1 2 247.323 2.522 20 0 BFADLO CC(C)=CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635845940 346088992 /nfs/dbraw/zinc/08/89/92/346088992.db2.gz PULKQIZVLWLOBC-ZDUSSCGKSA-N 1 2 249.358 2.553 20 0 BFADLO COc1cccc(Cl)c1C[NH+]1CC2(CC2)C1 ZINC000449371147 201889568 /nfs/dbraw/zinc/88/95/68/201889568.db2.gz QTYNSPYTDKPKMW-UHFFFAOYSA-N 1 2 237.730 2.944 20 0 BFADLO C=Cn1cc(C[NH2+][C@H](C)c2nc(C)cs2)cn1 ZINC000194353707 187316566 /nfs/dbraw/zinc/31/65/66/187316566.db2.gz LPUVCXXMCNPGFQ-SNVBAGLBSA-N 1 2 248.355 2.599 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3cc(C)ccc3C2)n1 ZINC000628250934 346220659 /nfs/dbraw/zinc/22/06/59/346220659.db2.gz LBNNDVYCHSCCEF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3cc(C)ccc3C2)n1 ZINC000628250934 346220663 /nfs/dbraw/zinc/22/06/63/346220663.db2.gz LBNNDVYCHSCCEF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@@H]2C(F)F)[nH+]c1C ZINC000628262363 346261766 /nfs/dbraw/zinc/26/17/66/346261766.db2.gz HQNZTONUELIMBB-SNVBAGLBSA-N 1 2 243.301 2.646 20 0 BFADLO COCc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000684414021 488309664 /nfs/dbraw/zinc/30/96/64/488309664.db2.gz PULVXOZQGGJIFS-UHFFFAOYSA-N 1 2 243.297 2.966 20 0 BFADLO C/C=C/C[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000626162336 346273430 /nfs/dbraw/zinc/27/34/30/346273430.db2.gz SJXDVISKOXSEHG-PBKGFPTLSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C/C[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000626162336 346273432 /nfs/dbraw/zinc/27/34/32/346273432.db2.gz SJXDVISKOXSEHG-PBKGFPTLSA-N 1 2 203.276 2.930 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCC=C(c3ccco3)C2)n1 ZINC000628271132 346281634 /nfs/dbraw/zinc/28/16/34/346281634.db2.gz NUCNOOLXMDDSAW-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCC=C(c3ccco3)C2)n1 ZINC000628271132 346281638 /nfs/dbraw/zinc/28/16/38/346281638.db2.gz NUCNOOLXMDDSAW-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H]2C2CC2)cc[nH+]1 ZINC000365220643 187319492 /nfs/dbraw/zinc/31/94/92/187319492.db2.gz FBJZUUDFGFIGGI-GFCCVEGCSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cccc(C)c1NCc1c[nH+]cn1C ZINC000085191499 179043749 /nfs/dbraw/zinc/04/37/49/179043749.db2.gz LTXLUZWMNLFUFK-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)cc1C ZINC000641763373 362695776 /nfs/dbraw/zinc/69/57/76/362695776.db2.gz AIJLVXBKBOZDAG-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1cccc(CCCNc2ncccc2F)[nH+]1 ZINC000286583619 179055678 /nfs/dbraw/zinc/05/56/78/179055678.db2.gz NKAMTMRAZIUGOG-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1nsc(NCCCc2cccc(C)[nH+]2)n1 ZINC000286586882 179055816 /nfs/dbraw/zinc/05/58/16/179055816.db2.gz NSXREPKDFPABME-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO Cc1cccc(CCNc2cc(C)[nH+]cn2)c1 ZINC000051670468 179060063 /nfs/dbraw/zinc/06/00/63/179060063.db2.gz UVPVJTIDEHXSSN-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO CCc1c[nH]c(CC(=O)Nc2ccsc2C)[nH+]1 ZINC000636310711 346388262 /nfs/dbraw/zinc/38/82/62/346388262.db2.gz ATGKGCGMCFVBFW-UHFFFAOYSA-N 1 2 249.339 2.523 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cccc(C)c1 ZINC000290320310 179069032 /nfs/dbraw/zinc/06/90/32/179069032.db2.gz BNHJKKPKOUHRMH-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1cccc(C)c1 ZINC000290320310 179069033 /nfs/dbraw/zinc/06/90/33/179069033.db2.gz BNHJKKPKOUHRMH-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2cccc(C)c2)o1 ZINC000299072993 179070138 /nfs/dbraw/zinc/07/01/38/179070138.db2.gz WTAKAUNRMTZHNX-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000299072993 179070143 /nfs/dbraw/zinc/07/01/43/179070143.db2.gz WTAKAUNRMTZHNX-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CC(C)C)C1 ZINC000574926989 346415772 /nfs/dbraw/zinc/41/57/72/346415772.db2.gz TXEYDWQVCYLAQY-CYBMUJFWSA-N 1 2 233.359 2.966 20 0 BFADLO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C(F)F ZINC000641790789 362728710 /nfs/dbraw/zinc/72/87/10/362728710.db2.gz WUUOYMOMGVBIKZ-KCJUWKMLSA-N 1 2 241.281 2.926 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2c1CCC2)C(F)F ZINC000641793118 362730213 /nfs/dbraw/zinc/73/02/13/362730213.db2.gz DXSCAOCEIYOASO-SECBINFHSA-N 1 2 225.282 2.919 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2ncccc21)C(F)F ZINC000641791021 362730500 /nfs/dbraw/zinc/73/05/00/362730500.db2.gz BIJBFJZLQPVXDU-GZMMTYOYSA-N 1 2 226.270 2.702 20 0 BFADLO Cc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)n1 ZINC000336572028 179082763 /nfs/dbraw/zinc/08/27/63/179082763.db2.gz NFODTXOJBUERSL-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)n1 ZINC000336572028 179082765 /nfs/dbraw/zinc/08/27/65/179082765.db2.gz NFODTXOJBUERSL-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO COCc1csc(C[NH2+][C@H](C)C(F)F)c1 ZINC000641794828 362738456 /nfs/dbraw/zinc/73/84/56/362738456.db2.gz ZORBZQONSPXIEH-SSDOTTSWSA-N 1 2 235.299 2.638 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000641794182 362734169 /nfs/dbraw/zinc/73/41/69/362734169.db2.gz RJOULBXEXKHSHI-SECBINFHSA-N 1 2 213.271 2.992 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000641794183 362734307 /nfs/dbraw/zinc/73/43/07/362734307.db2.gz RJOULBXEXKHSHI-VIFPVBQESA-N 1 2 213.271 2.992 20 0 BFADLO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)C(F)F ZINC000641794638 362735521 /nfs/dbraw/zinc/73/55/21/362735521.db2.gz XTUOMDHCCSDRDS-VIFPVBQESA-N 1 2 239.265 2.706 20 0 BFADLO CC(C)c1ncc(CNc2c[nH]c[nH+]2)s1 ZINC000380027139 365813992 /nfs/dbraw/zinc/81/39/92/365813992.db2.gz PKPMOMRFOUIQIG-UHFFFAOYSA-N 1 2 222.317 2.602 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCc1ccco1 ZINC000170956156 346489493 /nfs/dbraw/zinc/48/94/93/346489493.db2.gz IOSWWMKNOPEMSN-UHFFFAOYSA-N 1 2 230.267 2.554 20 0 BFADLO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2C)C(=O)OC ZINC000577144212 365835739 /nfs/dbraw/zinc/83/57/39/365835739.db2.gz LGBZQYQRKNVQLK-ZIAGYGMSSA-N 1 2 247.338 2.524 20 0 BFADLO Fc1cc(CNc2c[nH]c[nH+]2)ccc1Cl ZINC000380202315 346708703 /nfs/dbraw/zinc/70/87/03/346708703.db2.gz UOWVBGCSRINQQP-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000582038475 347103596 /nfs/dbraw/zinc/10/35/96/347103596.db2.gz DNDRGLFWIMXNSO-PTEHBNRSSA-N 1 2 245.326 2.618 20 0 BFADLO Cc1cccc(OCCNc2cc(C)[nH+]cn2)c1 ZINC000042897088 179168222 /nfs/dbraw/zinc/16/82/22/179168222.db2.gz VARNGARICZTQBV-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000382081883 347144793 /nfs/dbraw/zinc/14/47/93/347144793.db2.gz IRJFQHWHDXSXSK-UHFFFAOYSA-N 1 2 221.197 2.710 20 0 BFADLO Cc1cccc(SCCn2cc[nH+]c2)c1 ZINC000121904548 179176790 /nfs/dbraw/zinc/17/67/90/179176790.db2.gz XYGDSGIESJSXFQ-UHFFFAOYSA-N 1 2 218.325 2.984 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CCC(C)(C)O1 ZINC000184675581 347173645 /nfs/dbraw/zinc/17/36/45/347173645.db2.gz SASFUYWQIXXTGT-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCC(C)(C)O1 ZINC000184675581 347173646 /nfs/dbraw/zinc/17/36/46/347173646.db2.gz SASFUYWQIXXTGT-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1ccncc1 ZINC000624147964 347262351 /nfs/dbraw/zinc/26/23/51/347262351.db2.gz QCKRFWGVKMJSFJ-SECBINFHSA-N 1 2 214.259 2.778 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000191919813 347363207 /nfs/dbraw/zinc/36/32/07/347363207.db2.gz JUFWCCYDFQTDRL-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000191919813 347363209 /nfs/dbraw/zinc/36/32/09/347363209.db2.gz JUFWCCYDFQTDRL-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1ncccn1 ZINC000191947001 347364119 /nfs/dbraw/zinc/36/41/19/347364119.db2.gz YGMZZFJTLFPXGX-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1ncccn1 ZINC000191947001 347364121 /nfs/dbraw/zinc/36/41/21/347364121.db2.gz YGMZZFJTLFPXGX-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO CC1=CC[C@](C)(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921506 347451108 /nfs/dbraw/zinc/45/11/08/347451108.db2.gz SLEJNPDCLFNLCW-AWEZNQCLSA-N 1 2 247.342 2.505 20 0 BFADLO CC1=CC[C@](C)(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921506 347451110 /nfs/dbraw/zinc/45/11/10/347451110.db2.gz SLEJNPDCLFNLCW-AWEZNQCLSA-N 1 2 247.342 2.505 20 0 BFADLO Cn1cc[nH+]c1CNc1cc(Cl)ccc1F ZINC000035083767 358453247 /nfs/dbraw/zinc/45/32/47/358453247.db2.gz RWHFDMHCXBBQMF-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924478 347456578 /nfs/dbraw/zinc/45/65/78/347456578.db2.gz LELBASTXJNPHOA-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924478 347456582 /nfs/dbraw/zinc/45/65/82/347456582.db2.gz LELBASTXJNPHOA-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000616926617 347458057 /nfs/dbraw/zinc/45/80/57/347458057.db2.gz JKHMXVCAIPLWOA-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000616926617 347458061 /nfs/dbraw/zinc/45/80/61/347458061.db2.gz JKHMXVCAIPLWOA-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1(C)CCCCCC1 ZINC000616927367 347458858 /nfs/dbraw/zinc/45/88/58/347458858.db2.gz GYMRPAUWOSYWQJ-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1(C)CCCCCC1 ZINC000616927367 347458859 /nfs/dbraw/zinc/45/88/59/347458859.db2.gz GYMRPAUWOSYWQJ-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1CCCCCC1 ZINC000616927004 347459880 /nfs/dbraw/zinc/45/98/80/347459880.db2.gz YDODIHVDCWLFPB-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1CCCCCC1 ZINC000616927004 347459883 /nfs/dbraw/zinc/45/98/83/347459883.db2.gz YDODIHVDCWLFPB-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccon1)c1ccoc1 ZINC000380110404 365887246 /nfs/dbraw/zinc/88/72/46/365887246.db2.gz OBNBWPARLGPKPU-IUCAKERBSA-N 1 2 206.245 2.679 20 0 BFADLO Clc1snnc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000590788536 347558093 /nfs/dbraw/zinc/55/80/93/347558093.db2.gz GEVNQWGADPOXJH-VIFPVBQESA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000590788536 347558094 /nfs/dbraw/zinc/55/80/94/347558094.db2.gz GEVNQWGADPOXJH-VIFPVBQESA-N 1 2 243.763 2.566 20 0 BFADLO COc1csc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000176788794 365903482 /nfs/dbraw/zinc/90/34/82/365903482.db2.gz SZBNKFJVGYPFDO-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO COc1c(C)c[nH+]c(CSCC(C)=O)c1C ZINC000176771889 365901196 /nfs/dbraw/zinc/90/11/96/365901196.db2.gz OHLRKNFDCNYNGZ-UHFFFAOYSA-N 1 2 239.340 2.529 20 0 BFADLO CO[C@@H](C)CSCCc1cccc(C)[nH+]1 ZINC000592454287 347782424 /nfs/dbraw/zinc/78/24/24/347782424.db2.gz PWTVMFXDQOWTRQ-NSHDSACASA-N 1 2 225.357 2.701 20 0 BFADLO COC(=O)C1([NH2+]CC2=CCCC2)CCCCC1 ZINC000592069129 347726469 /nfs/dbraw/zinc/72/64/69/347726469.db2.gz MOWGPPAQBNTKBZ-UHFFFAOYSA-N 1 2 237.343 2.562 20 0 BFADLO CCOC(=O)C(CC)(CC)[NH2+]CC1=CCCC1 ZINC000592121675 347736410 /nfs/dbraw/zinc/73/64/10/347736410.db2.gz ANQRCWYLVNFKOT-UHFFFAOYSA-N 1 2 239.359 2.808 20 0 BFADLO CCCCCC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000200513199 347818034 /nfs/dbraw/zinc/81/80/34/347818034.db2.gz JNVMYIAJJXIRDR-GFCCVEGCSA-N 1 2 237.347 2.803 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000577290420 365918501 /nfs/dbraw/zinc/91/85/01/365918501.db2.gz MTZXCKWWKRWOGW-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000577290420 365918504 /nfs/dbraw/zinc/91/85/04/365918504.db2.gz MTZXCKWWKRWOGW-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000577291167 365920751 /nfs/dbraw/zinc/92/07/51/365920751.db2.gz BXZFYNBEAHOWMP-CHWSQXEVSA-N 1 2 249.358 2.709 20 0 BFADLO Cc1c[nH+]c(CNc2ccccc2C)n1C ZINC000336749862 179306025 /nfs/dbraw/zinc/30/60/25/179306025.db2.gz ZFNGFJGEHQLVJO-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1(F)CC1 ZINC000593696947 347930075 /nfs/dbraw/zinc/93/00/75/347930075.db2.gz IYXOQAVMWQIRDL-SNVBAGLBSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1(F)CC1 ZINC000593696947 347930078 /nfs/dbraw/zinc/93/00/78/347930078.db2.gz IYXOQAVMWQIRDL-SNVBAGLBSA-N 1 2 245.338 2.541 20 0 BFADLO Cc1ccccc1[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000036900152 179338631 /nfs/dbraw/zinc/33/86/31/179338631.db2.gz YNJMWSPGMVPMCJ-NSHDSACASA-N 1 2 215.300 2.569 20 0 BFADLO CCc1cnc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000075613650 348017997 /nfs/dbraw/zinc/01/79/97/348017997.db2.gz DDIQQLDVCHAPMI-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1cnc(C[N@H+]2CCc3sccc3C2)o1 ZINC000075613650 348018001 /nfs/dbraw/zinc/01/80/01/348018001.db2.gz DDIQQLDVCHAPMI-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO Cc1cccnc1[C@H]([NH2+]Cc1ccon1)C(C)C ZINC000120871552 179399955 /nfs/dbraw/zinc/39/99/55/179399955.db2.gz VTSGWVOHQMBSBI-CYBMUJFWSA-N 1 2 245.326 2.865 20 0 BFADLO COC(=O)[C@](C)(CCF)[NH2+]CCCC(C)(C)C ZINC000595774376 348338177 /nfs/dbraw/zinc/33/81/77/348338177.db2.gz HYIBXEFNUSOREM-ZDUSSCGKSA-N 1 2 247.354 2.694 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419360671 192126425 /nfs/dbraw/zinc/12/64/25/192126425.db2.gz SGDLEYQQEZWXMG-QWRGUYRKSA-N 1 2 247.338 2.776 20 0 BFADLO FC1(F)CC(CSCCn2cc[nH+]c2)C1 ZINC000419516377 192138149 /nfs/dbraw/zinc/13/81/49/192138149.db2.gz TWGUYPGLXJRXIX-UHFFFAOYSA-N 1 2 232.299 2.662 20 0 BFADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000292444914 179514128 /nfs/dbraw/zinc/51/41/28/179514128.db2.gz XJPHBHXWLLIXGR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccoc1C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000292444914 179514130 /nfs/dbraw/zinc/51/41/30/179514130.db2.gz XJPHBHXWLLIXGR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CS[C@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000596616288 348594379 /nfs/dbraw/zinc/59/43/79/348594379.db2.gz GRPSUGBGHNZLCK-SECBINFHSA-N 1 2 249.339 2.788 20 0 BFADLO COc1ccc[nH+]c1NCCSC(C)C ZINC000308804213 348694789 /nfs/dbraw/zinc/69/47/89/348694789.db2.gz LXUBHZXYRYUQLB-UHFFFAOYSA-N 1 2 226.345 2.644 20 0 BFADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)C[C@@H]1C ZINC000082835681 348825816 /nfs/dbraw/zinc/82/58/16/348825816.db2.gz WVHBSODTRPMWER-HRDYMLBCSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000308846321 348853522 /nfs/dbraw/zinc/85/35/22/348853522.db2.gz MIZAOMYPUSPHJX-JTQLQIEISA-N 1 2 201.273 2.625 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000271118979 179706777 /nfs/dbraw/zinc/70/67/77/179706777.db2.gz IXERSSFDPIOKPS-PHIMTYICSA-N 1 2 233.315 2.510 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000153956726 538016608 /nfs/dbraw/zinc/01/66/08/538016608.db2.gz ZQCHLTRMIKYFJH-SNVBAGLBSA-N 1 2 245.326 2.578 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2cncs2)n1 ZINC000126223681 179778794 /nfs/dbraw/zinc/77/87/94/179778794.db2.gz KQHNEWDKLRPVBW-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000599627757 349231058 /nfs/dbraw/zinc/23/10/58/349231058.db2.gz NRUMODLTICACOP-JSGCOSHPSA-N 1 2 249.354 2.843 20 0 BFADLO CC(C)(C)[C@H]1C[C@H](Nc2c[nH]c[nH+]2)CS1 ZINC000309006553 349284963 /nfs/dbraw/zinc/28/49/63/349284963.db2.gz PYZLMYSIZNTUQO-DTWKUNHWSA-N 1 2 225.361 2.742 20 0 BFADLO COc1ccccc1C[C@@H](C)[N@H+](C)CC(F)F ZINC000075896792 350006622 /nfs/dbraw/zinc/00/66/22/350006622.db2.gz HEZGUSBRVCVESW-SNVBAGLBSA-N 1 2 243.297 2.823 20 0 BFADLO COc1ccccc1C[C@@H](C)[N@@H+](C)CC(F)F ZINC000075896792 350006624 /nfs/dbraw/zinc/00/66/24/350006624.db2.gz HEZGUSBRVCVESW-SNVBAGLBSA-N 1 2 243.297 2.823 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@@H](C)C2)[nH+]1 ZINC000631092784 349416249 /nfs/dbraw/zinc/41/62/49/349416249.db2.gz JCDLSJVOURSZRF-SNVBAGLBSA-N 1 2 244.342 2.928 20 0 BFADLO CCSCc1cc[nH+]c(NCc2ccon2)c1 ZINC000602014458 349417345 /nfs/dbraw/zinc/41/73/45/349417345.db2.gz DREJHGRULZPLGS-UHFFFAOYSA-N 1 2 249.339 2.935 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)no1 ZINC000114494254 179956235 /nfs/dbraw/zinc/95/62/35/179956235.db2.gz HUJYOQMRLSTNCL-CQSZACIVSA-N 1 2 247.342 2.700 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)no1 ZINC000114494254 179956236 /nfs/dbraw/zinc/95/62/36/179956236.db2.gz HUJYOQMRLSTNCL-CQSZACIVSA-N 1 2 247.342 2.700 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2)no1 ZINC000273266382 180037572 /nfs/dbraw/zinc/03/75/72/180037572.db2.gz CZJKFUDOCGRUEK-NXEZZACHSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc([C@@H]2CCCC[N@@H+]2CCCCF)no1 ZINC000367542144 180042086 /nfs/dbraw/zinc/04/20/86/180042086.db2.gz XTNSAEAFLSUEJR-NSHDSACASA-N 1 2 241.310 2.655 20 0 BFADLO Cc1nc([C@@H]2CCCC[N@H+]2CCCCF)no1 ZINC000367542144 180042091 /nfs/dbraw/zinc/04/20/91/180042091.db2.gz XTNSAEAFLSUEJR-NSHDSACASA-N 1 2 241.310 2.655 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)[nH]1 ZINC000336280779 180047874 /nfs/dbraw/zinc/04/78/74/180047874.db2.gz BWGMMWAQJAXMPF-GXFFZTMASA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)[nH]1 ZINC000336280779 180047875 /nfs/dbraw/zinc/04/78/75/180047875.db2.gz BWGMMWAQJAXMPF-GXFFZTMASA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2)no1 ZINC000273266385 180050372 /nfs/dbraw/zinc/05/03/72/180050372.db2.gz CZJKFUDOCGRUEK-UWVGGRQHSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc(N[C@H]2CC[C@H](F)C2)c2c([nH+]1)CCCC2 ZINC000340908223 180069289 /nfs/dbraw/zinc/06/92/89/180069289.db2.gz HQNOJJUBGZMUQM-QWRGUYRKSA-N 1 2 249.333 2.966 20 0 BFADLO CC1(C2CC2)CC[NH+](Cc2csnn2)CC1 ZINC000335325919 535109362 /nfs/dbraw/zinc/10/93/62/535109362.db2.gz JBNAYTRJAVUPQV-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCC[C@@H]2C)c[nH+]1 ZINC000339223144 180129544 /nfs/dbraw/zinc/12/95/44/180129544.db2.gz IYNAYOMUMCKQBE-CMPLNLGQSA-N 1 2 249.358 2.664 20 0 BFADLO C[C@@H](O)CCCSc1[nH+]cc2ccccn21 ZINC000427280194 191058875 /nfs/dbraw/zinc/05/88/75/191058875.db2.gz KLPAJRMGJBRFSS-SNVBAGLBSA-N 1 2 236.340 2.587 20 0 BFADLO CCc1cnc(C[N@H+](C)CCC(F)(F)F)o1 ZINC000532662248 323286373 /nfs/dbraw/zinc/28/63/73/323286373.db2.gz WNCUULUSDOBUNX-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO CCc1cnc(C[N@@H+](C)CCC(F)(F)F)o1 ZINC000532662248 323286374 /nfs/dbraw/zinc/28/63/74/323286374.db2.gz WNCUULUSDOBUNX-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO CC[C@@H](C)Nc1nc(C)[nH+]c(N[C@H](C)CC)n1 ZINC000002034646 350184727 /nfs/dbraw/zinc/18/47/27/350184727.db2.gz LEJRMZKSZMTMLO-RKDXNWHRSA-N 1 2 237.351 2.601 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000266226022 180195171 /nfs/dbraw/zinc/19/51/71/180195171.db2.gz RQWLTMZPNBFNJF-XHDPSFHLSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1nc(NC2CCC3(CC3)CC2)cc[nH+]1 ZINC000277395489 180199521 /nfs/dbraw/zinc/19/95/21/180199521.db2.gz JLAZVIDUPAXKDW-UHFFFAOYSA-N 1 2 217.316 2.920 20 0 BFADLO Cc1noc(C)c1[C@@H](C)CNc1cc[nH+]c(C)n1 ZINC000129567762 180200107 /nfs/dbraw/zinc/20/01/07/180200107.db2.gz QMJGJCBEJNYXBS-QMMMGPOBSA-N 1 2 246.314 2.605 20 0 BFADLO Cc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000054935921 180200453 /nfs/dbraw/zinc/20/04/53/180200453.db2.gz UCAIMBMEJXIJSK-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1nc(NC[C@@H]2CC=CCC2)cc[nH+]1 ZINC000266442573 180201468 /nfs/dbraw/zinc/20/14/68/180201468.db2.gz WKGUWUSSONQBDD-LLVKDONJSA-N 1 2 203.289 2.553 20 0 BFADLO Cc1cnc([C@@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000125194920 180205447 /nfs/dbraw/zinc/20/54/47/180205447.db2.gz KYWSRQMXHPKQIX-MRVPVSSYSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1nc(N[C@H](C)CCc2cccn2C)cc[nH+]1 ZINC000266196479 180205920 /nfs/dbraw/zinc/20/59/20/180205920.db2.gz CMGCZODTWCIXNU-LLVKDONJSA-N 1 2 244.342 2.557 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)cc[nH+]1 ZINC000274193171 180206567 /nfs/dbraw/zinc/20/65/67/180206567.db2.gz FLKAQCNHUQRCLY-NEPJUHHUSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CCCSC1 ZINC000085726828 180226079 /nfs/dbraw/zinc/22/60/79/180226079.db2.gz JLTRNSUZDCALIC-SNVBAGLBSA-N 1 2 208.330 2.698 20 0 BFADLO Cc1[nH+]cccc1NCc1cc(O)cc(F)c1 ZINC000223138919 180226880 /nfs/dbraw/zinc/22/68/80/180226880.db2.gz HBZRKOPHBRQZNZ-UHFFFAOYSA-N 1 2 232.258 2.847 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)COC(C)C ZINC000336755996 180227814 /nfs/dbraw/zinc/22/78/14/180227814.db2.gz JFFKHIZENDMNPS-SNVBAGLBSA-N 1 2 208.305 2.615 20 0 BFADLO CC[C@H]1CCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000309250481 350234680 /nfs/dbraw/zinc/23/46/80/350234680.db2.gz DRKWUJJDZPCUDJ-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@H]1CCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000309250481 350234681 /nfs/dbraw/zinc/23/46/81/350234681.db2.gz DRKWUJJDZPCUDJ-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO c1[nH]cc(NCCSCc2ccccc2)[nH+]1 ZINC000309257992 350243033 /nfs/dbraw/zinc/24/30/33/350243033.db2.gz HAKOQOXAPYEELM-UHFFFAOYSA-N 1 2 233.340 2.755 20 0 BFADLO CC(C)CSCCC[N@H+](C)CC(F)F ZINC000152441120 323323556 /nfs/dbraw/zinc/32/35/56/323323556.db2.gz IGESWRRTOQYOCK-UHFFFAOYSA-N 1 2 225.348 2.963 20 0 BFADLO CC(C)CSCCC[N@@H+](C)CC(F)F ZINC000152441120 323323561 /nfs/dbraw/zinc/32/35/61/323323561.db2.gz IGESWRRTOQYOCK-UHFFFAOYSA-N 1 2 225.348 2.963 20 0 BFADLO Cc1ncsc1C[N@H+](C)Cc1cncs1 ZINC000179426143 180313027 /nfs/dbraw/zinc/31/30/27/180313027.db2.gz KNFXHUAUDYXRJT-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ncsc1C[N@@H+](C)Cc1cncs1 ZINC000179426143 180313028 /nfs/dbraw/zinc/31/30/28/180313028.db2.gz KNFXHUAUDYXRJT-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC=C(F)C1 ZINC000274514878 180315162 /nfs/dbraw/zinc/31/51/62/180315162.db2.gz WNVRGWPMDHQEBU-UHFFFAOYSA-N 1 2 212.293 2.511 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC=C(F)C1 ZINC000274514878 180315165 /nfs/dbraw/zinc/31/51/65/180315165.db2.gz WNVRGWPMDHQEBU-UHFFFAOYSA-N 1 2 212.293 2.511 20 0 BFADLO CCC(CC)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583156 350373376 /nfs/dbraw/zinc/37/33/76/350373376.db2.gz QVBSAYMFDODIBL-UHFFFAOYSA-N 1 2 246.314 2.644 20 0 BFADLO CCc1cc(NCc2ccccc2OC)nc[nH+]1 ZINC000040765015 350394502 /nfs/dbraw/zinc/39/45/02/350394502.db2.gz QHQUEZGWGVPBKJ-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO CCc1cc(NCc2ccc(OC)cc2)nc[nH+]1 ZINC000040765027 350394528 /nfs/dbraw/zinc/39/45/28/350394528.db2.gz JHHJPOLMNVNXNS-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO CC[N@H+](Cc1noc(C2CC2)n1)CC(C)(C)C ZINC000336668037 350429364 /nfs/dbraw/zinc/42/93/64/350429364.db2.gz AECHBVQVEHQNDV-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@@H+](Cc1noc(C2CC2)n1)CC(C)(C)C ZINC000336668037 350429367 /nfs/dbraw/zinc/42/93/67/350429367.db2.gz AECHBVQVEHQNDV-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@H+](Cc1cc(C)on1)[C@@H](C)c1cccnc1 ZINC000336711551 350463801 /nfs/dbraw/zinc/46/38/01/350463801.db2.gz NQBGMKAZIMSJFR-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1cc(C)on1)[C@@H](C)c1cccnc1 ZINC000336711551 350463804 /nfs/dbraw/zinc/46/38/04/350463804.db2.gz NQBGMKAZIMSJFR-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CCCC[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000337454508 350587003 /nfs/dbraw/zinc/58/70/03/350587003.db2.gz JLZPVTNYXOEQQW-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@@](C)(F)C2)s1 ZINC000336360627 350771739 /nfs/dbraw/zinc/77/17/39/350771739.db2.gz UXBHAMZFDDLCOC-LLVKDONJSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@@](C)(F)C2)s1 ZINC000336360627 350771747 /nfs/dbraw/zinc/77/17/47/350771747.db2.gz UXBHAMZFDDLCOC-LLVKDONJSA-N 1 2 228.336 2.639 20 0 BFADLO CC(C)CC[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000052246225 350971361 /nfs/dbraw/zinc/97/13/61/350971361.db2.gz GQQLMYMURXJMNB-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000052246225 350971366 /nfs/dbraw/zinc/97/13/66/350971366.db2.gz GQQLMYMURXJMNB-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO CCCOc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000397918646 350984230 /nfs/dbraw/zinc/98/42/30/350984230.db2.gz JSJMKSUCNSGOSW-UHFFFAOYSA-N 1 2 246.310 2.753 20 0 BFADLO N#Cc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000397991955 350991885 /nfs/dbraw/zinc/99/18/85/350991885.db2.gz IWOASIPIZUBIRR-GFCCVEGCSA-N 1 2 236.265 2.836 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC[C@@H]1CCCO1 ZINC000264965204 351260431 /nfs/dbraw/zinc/26/04/31/351260431.db2.gz BSJVXWHWZULXSI-LBPRGKRZSA-N 1 2 248.326 2.542 20 0 BFADLO CC[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266286635 351288730 /nfs/dbraw/zinc/28/87/30/351288730.db2.gz VPMIUEMVWZDODV-GFCCVEGCSA-N 1 2 219.332 2.802 20 0 BFADLO O=C(CCn1cc[nH+]c1)Nc1ccc(Cl)cc1 ZINC000072615583 351299624 /nfs/dbraw/zinc/29/96/24/351299624.db2.gz RLWNUZVWGKDLTR-UHFFFAOYSA-N 1 2 249.701 2.565 20 0 BFADLO CC[N@H+](Cc1c(C)noc1C)Cc1ccccn1 ZINC000267870650 351322765 /nfs/dbraw/zinc/32/27/65/351322765.db2.gz CLBFSNCXHURAOE-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1c(C)noc1C)Cc1ccccn1 ZINC000267870650 351322770 /nfs/dbraw/zinc/32/27/70/351322770.db2.gz CLBFSNCXHURAOE-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](CC)O1 ZINC000268130083 351328835 /nfs/dbraw/zinc/32/88/35/351328835.db2.gz MCYSGNZGCVXGEA-AAEUAGOBSA-N 1 2 248.326 2.540 20 0 BFADLO CC1(C)C[NH+](Cc2cnc(Cl)s2)C1 ZINC000306881393 351279400 /nfs/dbraw/zinc/27/94/00/351279400.db2.gz HNEDHMAMXBTFMD-UHFFFAOYSA-N 1 2 216.737 2.638 20 0 BFADLO CC[N@H+](Cc1c(F)cccc1F)[C@@H]1CCOC1 ZINC000271249109 351410119 /nfs/dbraw/zinc/41/01/19/351410119.db2.gz DNTMTXXBPQZUAS-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO CC[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCOC1 ZINC000271249109 351410125 /nfs/dbraw/zinc/41/01/25/351410125.db2.gz DNTMTXXBPQZUAS-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO CC[N@H+](Cc1ncc(C)s1)Cc1ccncc1 ZINC000271539205 351422767 /nfs/dbraw/zinc/42/27/67/351422767.db2.gz NEFHIFXXJLPBCJ-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1ncc(C)s1)Cc1ccncc1 ZINC000271539205 351422768 /nfs/dbraw/zinc/42/27/68/351422768.db2.gz NEFHIFXXJLPBCJ-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CS[C@@H](C)C2)c1 ZINC000232073012 351656814 /nfs/dbraw/zinc/65/68/14/351656814.db2.gz JKHSHSSRPNLQAY-GXSJLCMTSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)sn1 ZINC000637841708 351698071 /nfs/dbraw/zinc/69/80/71/351698071.db2.gz LVLAFGVEAGTRQO-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3[C@H]2C)sn1 ZINC000637841708 351698073 /nfs/dbraw/zinc/69/80/73/351698073.db2.gz LVLAFGVEAGTRQO-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1ccns1 ZINC000637844484 351699911 /nfs/dbraw/zinc/69/99/11/351699911.db2.gz HJZRCORBOQILMZ-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1ccns1 ZINC000637844484 351699913 /nfs/dbraw/zinc/69/99/13/351699913.db2.gz HJZRCORBOQILMZ-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1ccco1 ZINC000637862485 351723621 /nfs/dbraw/zinc/72/36/21/351723621.db2.gz XLEGUZXLIAMNJP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1ccco1 ZINC000637862485 351723622 /nfs/dbraw/zinc/72/36/22/351723622.db2.gz XLEGUZXLIAMNJP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1ccoc1 ZINC000637964588 351838776 /nfs/dbraw/zinc/83/87/76/351838776.db2.gz AZQWNDJTCLXERP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1ccoc1 ZINC000637964588 351838778 /nfs/dbraw/zinc/83/87/78/351838778.db2.gz AZQWNDJTCLXERP-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO CC1(C)C[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000280250167 351837649 /nfs/dbraw/zinc/83/76/49/351837649.db2.gz OJJNDEQSMNSQIQ-UHFFFAOYSA-N 1 2 241.338 2.703 20 0 BFADLO CC1(C)C[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000280250167 351837651 /nfs/dbraw/zinc/83/76/51/351837651.db2.gz OJJNDEQSMNSQIQ-UHFFFAOYSA-N 1 2 241.338 2.703 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccoc2)sn1 ZINC000637965581 351839847 /nfs/dbraw/zinc/83/98/47/351839847.db2.gz JZRPKGRNRSHALZ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccoc2)sn1 ZINC000637965581 351839850 /nfs/dbraw/zinc/83/98/50/351839850.db2.gz JZRPKGRNRSHALZ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccns1 ZINC000637969176 351842798 /nfs/dbraw/zinc/84/27/98/351842798.db2.gz JHEWEUWBLMIFRG-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccns1 ZINC000637969176 351842800 /nfs/dbraw/zinc/84/28/00/351842800.db2.gz JHEWEUWBLMIFRG-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccoc2C)sn1 ZINC000637968382 351843276 /nfs/dbraw/zinc/84/32/76/351843276.db2.gz BDTBTMHNMXROJM-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccoc2C)sn1 ZINC000637968382 351843279 /nfs/dbraw/zinc/84/32/79/351843279.db2.gz BDTBTMHNMXROJM-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CO[C@](C)(C[N@H+](CC(F)F)C1CC1)C1CC1 ZINC000638056467 351932381 /nfs/dbraw/zinc/93/23/81/351932381.db2.gz PEFQYDBRFBJGKN-GFCCVEGCSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@](C)(C[N@@H+](CC(F)F)C1CC1)C1CC1 ZINC000638056467 351932384 /nfs/dbraw/zinc/93/23/84/351932384.db2.gz PEFQYDBRFBJGKN-GFCCVEGCSA-N 1 2 233.302 2.531 20 0 BFADLO CCC[C@H](C[N@H+](CC(F)F)C1CC1)OC ZINC000638056455 351932759 /nfs/dbraw/zinc/93/27/59/351932759.db2.gz PBPONHVNBKCNSU-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[C@H](C[N@@H+](CC(F)F)C1CC1)OC ZINC000638056455 351932762 /nfs/dbraw/zinc/93/27/62/351932762.db2.gz PBPONHVNBKCNSU-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO COCC[N@H+](CC(F)F)CC1(C(C)C)CC1 ZINC000638015931 351892507 /nfs/dbraw/zinc/89/25/07/351892507.db2.gz SJCSQGBKEWRMGC-UHFFFAOYSA-N 1 2 235.318 2.636 20 0 BFADLO COCC[N@@H+](CC(F)F)CC1(C(C)C)CC1 ZINC000638015931 351892510 /nfs/dbraw/zinc/89/25/10/351892510.db2.gz SJCSQGBKEWRMGC-UHFFFAOYSA-N 1 2 235.318 2.636 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876143 191150524 /nfs/dbraw/zinc/15/05/24/191150524.db2.gz GPKOMLNCMUWZDO-BXUZGUMPSA-N 1 2 243.310 2.709 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@H](C)C1 ZINC000527950606 323726091 /nfs/dbraw/zinc/72/60/91/323726091.db2.gz PACQUQUXKPOADV-WDEREUQCSA-N 1 2 220.316 2.573 20 0 BFADLO Cc1nc(C[NH2+]Cc2cc(C3CC3)no2)cs1 ZINC000638328943 352146846 /nfs/dbraw/zinc/14/68/46/352146846.db2.gz NGZZJKRJCQXOAN-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO COC(=O)C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037187557 358469634 /nfs/dbraw/zinc/46/96/34/358469634.db2.gz ZSMJTPGDFSWVLM-CYBMUJFWSA-N 1 2 249.354 2.927 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1cscn1 ZINC000380238577 352312945 /nfs/dbraw/zinc/31/29/45/352312945.db2.gz MWYZJRKRFPDYDO-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO CC[C@@](C)([NH2+]C/C=C\c1ccccc1)C(=O)OC ZINC000411449846 191187614 /nfs/dbraw/zinc/18/76/14/191187614.db2.gz XYTMFXLXXKDPBH-MEODZPNASA-N 1 2 247.338 2.631 20 0 BFADLO CC[C@@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000336740413 352370636 /nfs/dbraw/zinc/37/06/36/352370636.db2.gz UKWAYMYJTRBOTP-SECBINFHSA-N 1 2 228.723 2.616 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCCC12CC2)c1[nH]cc[nH+]1 ZINC000529053248 352372151 /nfs/dbraw/zinc/37/21/51/352372151.db2.gz RZADDHCJJUTBMK-QWRGUYRKSA-N 1 2 247.342 2.557 20 0 BFADLO CCc1noc(C[N@H+](C)Cc2ccccc2C)n1 ZINC000073605135 352512213 /nfs/dbraw/zinc/51/22/13/352512213.db2.gz VLCZNJJVAVLINX-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000073605135 352512216 /nfs/dbraw/zinc/51/22/16/352512216.db2.gz VLCZNJJVAVLINX-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411864581 191222648 /nfs/dbraw/zinc/22/26/48/191222648.db2.gz RVYWQMPPGLDEQP-HNNXBMFYSA-N 1 2 249.329 2.827 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411864581 191222651 /nfs/dbraw/zinc/22/26/51/191222651.db2.gz RVYWQMPPGLDEQP-HNNXBMFYSA-N 1 2 249.329 2.827 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)c[nH+]1 ZINC000638761797 352699485 /nfs/dbraw/zinc/69/94/85/352699485.db2.gz KTFTYVSNWOCEPS-SCZZXKLOSA-N 1 2 212.243 2.846 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)c[nH+]1 ZINC000638761799 352699625 /nfs/dbraw/zinc/69/96/25/352699625.db2.gz KTFTYVSNWOCEPS-WPRPVWTQSA-N 1 2 212.243 2.846 20 0 BFADLO CC[N@H+](Cc1ncc(C)o1)Cc1occc1C ZINC000412028010 191240548 /nfs/dbraw/zinc/24/05/48/191240548.db2.gz RFLDMAHQKXWMPS-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@@H+](Cc1ncc(C)o1)Cc1occc1C ZINC000412028010 191240549 /nfs/dbraw/zinc/24/05/49/191240549.db2.gz RFLDMAHQKXWMPS-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO Fc1cc(Br)cc(C[NH+]2CCC2)c1 ZINC000307616858 352675042 /nfs/dbraw/zinc/67/50/42/352675042.db2.gz QZATVYZETCYYAA-UHFFFAOYSA-N 1 2 244.107 2.794 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCCF)C2 ZINC000411951883 191231565 /nfs/dbraw/zinc/23/15/65/191231565.db2.gz NQDKOIXDWDDSKV-UHFFFAOYSA-N 1 2 235.302 2.955 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@H+](CCCCF)C2 ZINC000411951883 191231568 /nfs/dbraw/zinc/23/15/68/191231568.db2.gz NQDKOIXDWDDSKV-UHFFFAOYSA-N 1 2 235.302 2.955 20 0 BFADLO CCN(CCC(F)(F)F)c1cc[nH+]c(C)n1 ZINC000608081386 352733022 /nfs/dbraw/zinc/73/30/22/352733022.db2.gz WFZHUKLREAUMPK-UHFFFAOYSA-N 1 2 233.237 2.564 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@H]1CC1(F)F ZINC000638785603 352739776 /nfs/dbraw/zinc/73/97/76/352739776.db2.gz DQWFNPRWJQJVBR-VXNVDRBHSA-N 1 2 212.243 2.846 20 0 BFADLO CO[C@@H](CNc1ccc[nH+]c1C)CC(C)C ZINC000638787116 352741698 /nfs/dbraw/zinc/74/16/98/352741698.db2.gz UCDVGVCLFBSMCS-GFCCVEGCSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@@H]2CC2(F)F)c1 ZINC000638787597 352743344 /nfs/dbraw/zinc/74/33/44/352743344.db2.gz VOCYIRBAOMFJMT-SCZZXKLOSA-N 1 2 212.243 2.846 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000638787598 352743460 /nfs/dbraw/zinc/74/34/60/352743460.db2.gz VOCYIRBAOMFJMT-WCBMZHEXSA-N 1 2 212.243 2.846 20 0 BFADLO CCCc1nc(C[N@@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000412034266 191247559 /nfs/dbraw/zinc/24/75/59/191247559.db2.gz DTXWOWDYFCEDGG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CC(C)(C)C[C@@H]2C)no1 ZINC000412034266 191247562 /nfs/dbraw/zinc/24/75/62/191247562.db2.gz DTXWOWDYFCEDGG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CO[C@@H](CNc1ccc(C)[nH+]c1C)C1CC1 ZINC000638792754 352755340 /nfs/dbraw/zinc/75/53/40/352755340.db2.gz PXUMUWSGVZODQR-ZDUSSCGKSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C3CC3)C2)[nH+]1 ZINC000334173203 352758180 /nfs/dbraw/zinc/75/81/80/352758180.db2.gz ADSIZXQADTZRPS-NSHDSACASA-N 1 2 242.326 2.503 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000334173195 352758208 /nfs/dbraw/zinc/75/82/08/352758208.db2.gz ADSIZXQADTZRPS-LLVKDONJSA-N 1 2 242.326 2.503 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000334181464 352769931 /nfs/dbraw/zinc/76/99/31/352769931.db2.gz BISKGTBURSHTLS-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000334181464 352769935 /nfs/dbraw/zinc/76/99/35/352769935.db2.gz BISKGTBURSHTLS-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO Cc1ccoc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334216752 352816987 /nfs/dbraw/zinc/81/69/87/352816987.db2.gz VNSJFQHJGGFUAI-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CC[N@H+](Cc1cc(C)no1)Cc1occc1C ZINC000412040648 191250029 /nfs/dbraw/zinc/25/00/29/191250029.db2.gz LWDBAKAPPMUUEQ-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@@H+](Cc1cc(C)no1)Cc1occc1C ZINC000412040648 191250031 /nfs/dbraw/zinc/25/00/31/191250031.db2.gz LWDBAKAPPMUUEQ-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC(C)[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000366788950 352827022 /nfs/dbraw/zinc/82/70/22/352827022.db2.gz INBPSRACBIDNLM-AAEUAGOBSA-N 1 2 244.342 2.528 20 0 BFADLO CCc1nnc(C[N@@H+](CC)Cc2occc2C)o1 ZINC000412044514 191251001 /nfs/dbraw/zinc/25/10/01/191251001.db2.gz QQRXDVANFHGZJD-UHFFFAOYSA-N 1 2 249.314 2.556 20 0 BFADLO CCc1nnc(C[N@H+](CC)Cc2occc2C)o1 ZINC000412044514 191251003 /nfs/dbraw/zinc/25/10/03/191251003.db2.gz QQRXDVANFHGZJD-UHFFFAOYSA-N 1 2 249.314 2.556 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1C ZINC000334201553 352794735 /nfs/dbraw/zinc/79/47/35/352794735.db2.gz OGRYTMRVPZYZFC-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@@H]1C ZINC000334201553 352794737 /nfs/dbraw/zinc/79/47/37/352794737.db2.gz OGRYTMRVPZYZFC-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000360528094 187894008 /nfs/dbraw/zinc/89/40/08/187894008.db2.gz FHEKEEZEFSGRJX-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cn2c([nH+]1)[C@H](CNc1ccccn1)CCC2 ZINC000334249943 352843620 /nfs/dbraw/zinc/84/36/20/352843620.db2.gz YEXVGPHMJZYXBM-LBPRGKRZSA-N 1 2 242.326 2.576 20 0 BFADLO CCc1cc(N[C@@H](CC)c2ccncc2)nc[nH+]1 ZINC000608086838 352989236 /nfs/dbraw/zinc/98/92/36/352989236.db2.gz MAEHEWVXRFGVDK-ZDUSSCGKSA-N 1 2 242.326 2.997 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000334309467 352941878 /nfs/dbraw/zinc/94/18/78/352941878.db2.gz FQFHQSWAGMYDMM-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000334309467 352941881 /nfs/dbraw/zinc/94/18/81/352941881.db2.gz FQFHQSWAGMYDMM-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)[C@@H]1CC1(F)F ZINC000638823359 353004313 /nfs/dbraw/zinc/00/43/13/353004313.db2.gz KTCXLNVEWYVHPW-SFYZADRCSA-N 1 2 228.242 2.546 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)sn1 ZINC000638909628 353066921 /nfs/dbraw/zinc/06/69/21/353066921.db2.gz HOUFGVQQSYKJDG-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)sn1 ZINC000638909628 353066922 /nfs/dbraw/zinc/06/69/22/353066922.db2.gz HOUFGVQQSYKJDG-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO CC(C)=CC(=O)Nc1c(C)cc[nH+]c1C ZINC000306948748 353046347 /nfs/dbraw/zinc/04/63/47/353046347.db2.gz AAQUGIXTIOFZCF-UHFFFAOYSA-N 1 2 204.273 2.603 20 0 BFADLO CO[C@H]1CCC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000232073346 538108095 /nfs/dbraw/zinc/10/80/95/538108095.db2.gz STCACEOJCRVURS-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO c1cc(N2CC[C@@H](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000338810514 188018078 /nfs/dbraw/zinc/01/80/78/188018078.db2.gz NPLJKNIAVUPWPL-LBPRGKRZSA-N 1 2 243.354 2.980 20 0 BFADLO CC(C)[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000264839101 188021518 /nfs/dbraw/zinc/02/15/18/188021518.db2.gz GHKINLUWJJWCTL-GFCCVEGCSA-N 1 2 231.343 2.979 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)nc1 ZINC000271898394 188026130 /nfs/dbraw/zinc/02/61/30/188026130.db2.gz GEKZJSRKZAJOKN-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)nc1 ZINC000271898394 188026132 /nfs/dbraw/zinc/02/61/32/188026132.db2.gz GEKZJSRKZAJOKN-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cn1c[nH+]cc1CN1CCC=Cc2ccccc21 ZINC000276519296 188029097 /nfs/dbraw/zinc/02/90/97/188029097.db2.gz YPXZSBLONYJGIS-UHFFFAOYSA-N 1 2 239.322 2.844 20 0 BFADLO Cc1cc(N[C@@H](C)CC(C)(C)O)nc(C2CC2)[nH+]1 ZINC000294992878 188038259 /nfs/dbraw/zinc/03/82/59/188038259.db2.gz NIDHQYMHTWGYMD-JTQLQIEISA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)[C@@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297739803 188041039 /nfs/dbraw/zinc/04/10/39/188041039.db2.gz KXNDUNIGVLAMKW-NWDGAFQWSA-N 1 2 243.310 2.565 20 0 BFADLO O=C(CC1CCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000336383949 188055660 /nfs/dbraw/zinc/05/56/60/188055660.db2.gz FMJKOOYKCQVSET-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO CCc1cc(N[C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000383466351 353162227 /nfs/dbraw/zinc/16/22/27/353162227.db2.gz JACHPPJUXJNZJD-SNVBAGLBSA-N 1 2 243.310 2.918 20 0 BFADLO FC(F)(F)CCCCOCc1[nH]cc[nH+]1 ZINC000272106849 180879512 /nfs/dbraw/zinc/87/95/12/180879512.db2.gz XZYQXUDSUVXROR-UHFFFAOYSA-N 1 2 222.210 2.659 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000134544672 538112858 /nfs/dbraw/zinc/11/28/58/538112858.db2.gz JLDWMQKJLCGQOX-MRVPVSSYSA-N 1 2 221.329 2.630 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@@H](C)C1CCC1)c1[nH]cc[nH+]1 ZINC000412281736 191272891 /nfs/dbraw/zinc/27/28/91/191272891.db2.gz OJGZLUWMPIIHRP-CMPLNLGQSA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1nccs1 ZINC000070734035 353262715 /nfs/dbraw/zinc/26/27/15/353262715.db2.gz NHMVSDYFQQZCRS-SECBINFHSA-N 1 2 234.328 2.805 20 0 BFADLO CC(=O)NCCC[N@H+](c1ccccc1C)C(C)C ZINC000120537251 188248453 /nfs/dbraw/zinc/24/84/53/188248453.db2.gz GDQQGPGAPYKNBF-UHFFFAOYSA-N 1 2 248.370 2.736 20 0 BFADLO CC(=O)NCCC[N@@H+](c1ccccc1C)C(C)C ZINC000120537251 188248455 /nfs/dbraw/zinc/24/84/55/188248455.db2.gz GDQQGPGAPYKNBF-UHFFFAOYSA-N 1 2 248.370 2.736 20 0 BFADLO c1snnc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000126773590 188258236 /nfs/dbraw/zinc/25/82/36/188258236.db2.gz GSFQBGPNRYYLRW-ZDUSSCGKSA-N 1 2 249.383 2.860 20 0 BFADLO c1snnc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000126773590 188258237 /nfs/dbraw/zinc/25/82/37/188258237.db2.gz GSFQBGPNRYYLRW-ZDUSSCGKSA-N 1 2 249.383 2.860 20 0 BFADLO CC1(C)[C@H](O)C[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000129001415 353308053 /nfs/dbraw/zinc/30/80/53/353308053.db2.gz OUFVWQCIRWDGKO-QWHCGFSZSA-N 1 2 242.322 2.806 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000049368566 188298288 /nfs/dbraw/zinc/29/82/88/188298288.db2.gz RRRREDRZCIAUGP-QWHCGFSZSA-N 1 2 249.354 2.549 20 0 BFADLO COc1ccc(NCc2ccsc2)[nH+]c1 ZINC000225894164 538114580 /nfs/dbraw/zinc/11/45/80/538114580.db2.gz GIAPBTLSMGXCPM-UHFFFAOYSA-N 1 2 220.297 2.764 20 0 BFADLO Oc1cccc(SCCCn2cc[nH+]c2)c1 ZINC000127006037 188329731 /nfs/dbraw/zinc/32/97/31/188329731.db2.gz SXAJOKAPEQXSMF-UHFFFAOYSA-N 1 2 234.324 2.771 20 0 BFADLO Cc1cc(N2CC[C@H]2c2ccccc2)nc[nH+]1 ZINC000334503325 353344123 /nfs/dbraw/zinc/34/41/23/353344123.db2.gz XXLGTRDMEVYUNQ-ZDUSSCGKSA-N 1 2 225.295 2.736 20 0 BFADLO O[C@H](C[N@H+](CC(F)F)C1CC1)C1CCCCC1 ZINC000190531671 353384448 /nfs/dbraw/zinc/38/44/48/353384448.db2.gz CGDQMEXMUUGOBG-GFCCVEGCSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@H](C[N@@H+](CC(F)F)C1CC1)C1CCCCC1 ZINC000190531671 353384452 /nfs/dbraw/zinc/38/44/52/353384452.db2.gz CGDQMEXMUUGOBG-GFCCVEGCSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@H](CC1CCCC1)C[N@H+](CC(F)F)C1CC1 ZINC000190531639 353384997 /nfs/dbraw/zinc/38/49/97/353384997.db2.gz YICBFTCGNAWFBS-GFCCVEGCSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@H](CC1CCCC1)C[N@@H+](CC(F)F)C1CC1 ZINC000190531639 353384999 /nfs/dbraw/zinc/38/49/99/353384999.db2.gz YICBFTCGNAWFBS-GFCCVEGCSA-N 1 2 247.329 2.657 20 0 BFADLO CC(C)Cc1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000264589393 188372045 /nfs/dbraw/zinc/37/20/45/188372045.db2.gz IXWYXKKMSFPOJA-UHFFFAOYSA-N 1 2 242.282 2.583 20 0 BFADLO CNc1[nH+]cnc2c1cnn2C[C@H](C)CC(C)C ZINC000337232030 188361163 /nfs/dbraw/zinc/36/11/63/188361163.db2.gz VBTWIQHUYZMTQP-SNVBAGLBSA-N 1 2 247.346 2.550 20 0 BFADLO CC(C)COCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000337457692 188362660 /nfs/dbraw/zinc/36/26/60/188362660.db2.gz ISGKQZQMQOHDMQ-NSHDSACASA-N 1 2 235.318 2.636 20 0 BFADLO CC(C)COCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000337457692 188362662 /nfs/dbraw/zinc/36/26/62/188362662.db2.gz ISGKQZQMQOHDMQ-NSHDSACASA-N 1 2 235.318 2.636 20 0 BFADLO C/C=C/C=C/c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356133999 188365766 /nfs/dbraw/zinc/36/57/66/188365766.db2.gz XZTKOLMITOTAQC-VNKDHWASSA-N 1 2 241.294 2.953 20 0 BFADLO CC(C)(C)CCNc1nc[nH+]c(N)c1Cl ZINC000232496638 538117194 /nfs/dbraw/zinc/11/71/94/538117194.db2.gz LSAKUGYDLATHOR-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CC(C)(C)CCNc1[nH+]cnc(N)c1Cl ZINC000232496638 538117195 /nfs/dbraw/zinc/11/71/95/538117195.db2.gz LSAKUGYDLATHOR-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000276657082 188380137 /nfs/dbraw/zinc/38/01/37/188380137.db2.gz SQPBYXICYRCIHE-NEPJUHHUSA-N 1 2 247.342 2.579 20 0 BFADLO CC(C)(C)c1cnc(COc2cc[nH+]cc2)o1 ZINC000276495422 188380465 /nfs/dbraw/zinc/38/04/65/188380465.db2.gz WBKSPTSFPAEUBR-UHFFFAOYSA-N 1 2 232.283 2.946 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@@H](C)C(C)C)no1 ZINC000341835073 188399440 /nfs/dbraw/zinc/39/94/40/188399440.db2.gz JPWGQXRWNVPBTN-NSHDSACASA-N 1 2 239.363 2.889 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@@H](C)C(C)C)no1 ZINC000341835073 188399441 /nfs/dbraw/zinc/39/94/41/188399441.db2.gz JPWGQXRWNVPBTN-NSHDSACASA-N 1 2 239.363 2.889 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)no1)c1c(C)noc1C ZINC000182454554 353477232 /nfs/dbraw/zinc/47/72/32/353477232.db2.gz SMKZKPJAAYQLPS-GFCCVEGCSA-N 1 2 249.314 2.829 20 0 BFADLO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1cocn1 ZINC000272114477 181005054 /nfs/dbraw/zinc/00/50/54/181005054.db2.gz IYJQERCQLODSPR-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1cncs1)CC2 ZINC000093454223 181007121 /nfs/dbraw/zinc/00/71/21/181007121.db2.gz QKYQRRHABLVINR-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1cncs1)CC2 ZINC000093454223 181007123 /nfs/dbraw/zinc/00/71/23/181007123.db2.gz QKYQRRHABLVINR-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)cc2)n1 ZINC000074071586 353741904 /nfs/dbraw/zinc/74/19/04/353741904.db2.gz BKUOHLQRNIINEJ-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Fc1cccnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000127594297 181016012 /nfs/dbraw/zinc/01/60/12/181016012.db2.gz KVIRDMMIMFAJKA-UHFFFAOYSA-N 1 2 244.273 2.500 20 0 BFADLO CCCC[C@H](CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000266939108 353818622 /nfs/dbraw/zinc/81/86/22/353818622.db2.gz AQVVJGJGFGETBP-NSHDSACASA-N 1 2 237.347 2.551 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CC[C@H](C2CC2)C1 ZINC000343440324 353887545 /nfs/dbraw/zinc/88/75/45/353887545.db2.gz NKHGRLGHHKXTSP-LBPRGKRZSA-N 1 2 241.338 2.810 20 0 BFADLO Cc1cc(N[C@]2(C)CCO[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000343497392 353913050 /nfs/dbraw/zinc/91/30/50/353913050.db2.gz DMWAZEFBRPGVOX-QMTHXVAHSA-N 1 2 247.342 2.642 20 0 BFADLO CC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343515764 353925574 /nfs/dbraw/zinc/92/55/74/353925574.db2.gz UJDKRZBZNMGHMS-GFCCVEGCSA-N 1 2 244.342 2.530 20 0 BFADLO CC[C@@]1(C)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000343523399 353927381 /nfs/dbraw/zinc/92/73/81/353927381.db2.gz GIOYDUPYNNQZQF-AWEZNQCLSA-N 1 2 231.343 2.980 20 0 BFADLO COCC[C@@H](Cc1ccco1)Nc1cccc[nH+]1 ZINC000343607333 353932380 /nfs/dbraw/zinc/93/23/80/353932380.db2.gz PWZHRQOXTXNZMX-LBPRGKRZSA-N 1 2 246.310 2.734 20 0 BFADLO Cn1c(C[NH2+]CC(F)F)cc2ccccc21 ZINC000639161882 353946425 /nfs/dbraw/zinc/94/64/25/353946425.db2.gz IPBUTOASUQJYMI-UHFFFAOYSA-N 1 2 224.254 2.533 20 0 BFADLO C[C@@H]1COCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000334527350 353900894 /nfs/dbraw/zinc/90/08/94/353900894.db2.gz YFAOPIPGRYZOEE-SNVBAGLBSA-N 1 2 246.285 2.599 20 0 BFADLO Cc1ccc(N[C@@H]2CCCc3nn(C)cc32)c[nH+]1 ZINC000334548911 353988192 /nfs/dbraw/zinc/98/81/92/353988192.db2.gz YXTFLQSCALLSGL-CYBMUJFWSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC3(CCCC3)CC2)n[nH]1 ZINC000334557741 354005137 /nfs/dbraw/zinc/00/51/37/354005137.db2.gz PHLMWWBFEVCDLF-LLVKDONJSA-N 1 2 248.374 2.830 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N[C@@H]2CC[C@@H]2C)nc[nH+]1 ZINC000343813273 354011630 /nfs/dbraw/zinc/01/16/30/354011630.db2.gz UJIRHHPRFCEUAT-IWDIQUIJSA-N 1 2 246.358 2.897 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N[C@@H]2CC[C@@H]2C)[nH+]cn1 ZINC000343813273 354011633 /nfs/dbraw/zinc/01/16/33/354011633.db2.gz UJIRHHPRFCEUAT-IWDIQUIJSA-N 1 2 246.358 2.897 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cscn2)CCC1(F)F ZINC000334594572 354226295 /nfs/dbraw/zinc/22/62/95/354226295.db2.gz TXLARBLWCSRZRF-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cscn2)CCC1(F)F ZINC000334594572 354226297 /nfs/dbraw/zinc/22/62/97/354226297.db2.gz TXLARBLWCSRZRF-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO c1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)no1 ZINC000334606737 354313542 /nfs/dbraw/zinc/31/35/42/354313542.db2.gz AGQLLVVKPVMUFM-CYBMUJFWSA-N 1 2 214.268 2.622 20 0 BFADLO c1cc(C[N@H+]2CC[C@@H]2c2ccccc2)no1 ZINC000334606737 354313544 /nfs/dbraw/zinc/31/35/44/354313544.db2.gz AGQLLVVKPVMUFM-CYBMUJFWSA-N 1 2 214.268 2.622 20 0 BFADLO Clc1cccc(C2C[NH+](Cc3cc[nH]n3)C2)c1 ZINC000334620330 354357420 /nfs/dbraw/zinc/35/74/20/354357420.db2.gz OPWHBLHOJMFBFW-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO Clc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000086452616 491061665 /nfs/dbraw/zinc/06/16/65/491061665.db2.gz OWFBYAZMCUYOPA-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)o1 ZINC000639185465 354380397 /nfs/dbraw/zinc/38/03/97/354380397.db2.gz BAUZAPFSZZUFFE-YGRLFVJLSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1cc(C)n(Cc2ccc(C)[nH+]c2C)n1 ZINC000334625456 354365910 /nfs/dbraw/zinc/36/59/10/354365910.db2.gz XRPKKONVBMOEPB-UHFFFAOYSA-N 1 2 215.300 2.560 20 0 BFADLO C[C@H](C(N)=O)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334626350 354366860 /nfs/dbraw/zinc/36/68/60/354366860.db2.gz IGMXSRBQCZOGNU-MWLCHTKSSA-N 1 2 234.299 2.730 20 0 BFADLO C[C@H](C(N)=O)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334626350 354366862 /nfs/dbraw/zinc/36/68/62/354366862.db2.gz IGMXSRBQCZOGNU-MWLCHTKSSA-N 1 2 234.299 2.730 20 0 BFADLO c1coc([C@@H]2[N@H+](Cc3ccno3)CC23CCC3)c1 ZINC000334626250 354367247 /nfs/dbraw/zinc/36/72/47/354367247.db2.gz GVLYMUQQGUOFCU-ZDUSSCGKSA-N 1 2 244.294 2.995 20 0 BFADLO c1coc([C@@H]2[N@@H+](Cc3ccno3)CC23CCC3)c1 ZINC000334626250 354367248 /nfs/dbraw/zinc/36/72/48/354367248.db2.gz GVLYMUQQGUOFCU-ZDUSSCGKSA-N 1 2 244.294 2.995 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]1C(C)C ZINC000334688361 354434174 /nfs/dbraw/zinc/43/41/74/354434174.db2.gz FNXDFVJRJXJRHE-LBPRGKRZSA-N 1 2 247.342 2.961 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1cccc(C)c1 ZINC000334674519 354417267 /nfs/dbraw/zinc/41/72/67/354417267.db2.gz VBKDNUYFFWGJTA-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334650172 354442320 /nfs/dbraw/zinc/44/23/20/354442320.db2.gz AIRXAJZDVBRYKP-SECBINFHSA-N 1 2 249.383 2.814 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334650172 354442321 /nfs/dbraw/zinc/44/23/21/354442321.db2.gz AIRXAJZDVBRYKP-SECBINFHSA-N 1 2 249.383 2.814 20 0 BFADLO C[C@H]1C[N@H+](Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000335930642 134010277 /nfs/dbraw/zinc/01/02/77/134010277.db2.gz JAJOSVKSDBDIDD-IUCAKERBSA-N 1 2 244.260 2.941 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cncc(C(F)(F)F)c2)[C@H]1C ZINC000335930642 134010278 /nfs/dbraw/zinc/01/02/78/134010278.db2.gz JAJOSVKSDBDIDD-IUCAKERBSA-N 1 2 244.260 2.941 20 0 BFADLO Cc1cc(C)c(NC(=O)NCC2(C)CC2)c(C)[nH+]1 ZINC000334712083 354508986 /nfs/dbraw/zinc/50/89/86/354508986.db2.gz JAYSJYDBZOFOAL-UHFFFAOYSA-N 1 2 247.342 2.928 20 0 BFADLO C[C@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)C1CCC1 ZINC000334712453 354509849 /nfs/dbraw/zinc/50/98/49/354509849.db2.gz QBKFVFRIXGRDTM-JQWIXIFHSA-N 1 2 247.342 2.509 20 0 BFADLO CC(C)C(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334714312 354511944 /nfs/dbraw/zinc/51/19/44/354511944.db2.gz MOVWQZMUSSMPBW-WDEREUQCSA-N 1 2 249.358 2.687 20 0 BFADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1=CCC1 ZINC000334801938 354557073 /nfs/dbraw/zinc/55/70/73/354557073.db2.gz RRTFHFCZFPXDPK-UHFFFAOYSA-N 1 2 239.278 2.531 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334802279 354557712 /nfs/dbraw/zinc/55/77/12/354557712.db2.gz ZYGZCLVZDPXAAM-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334802279 354557715 /nfs/dbraw/zinc/55/77/15/354557715.db2.gz ZYGZCLVZDPXAAM-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Fc1ccc2oc(C[N@H+]3CC[C@@H](F)C3)nc2c1 ZINC000334808512 354564805 /nfs/dbraw/zinc/56/48/05/354564805.db2.gz GBYLDMZVYCBSEB-SECBINFHSA-N 1 2 238.237 2.511 20 0 BFADLO Fc1ccc2oc(C[N@@H+]3CC[C@@H](F)C3)nc2c1 ZINC000334808512 354564808 /nfs/dbraw/zinc/56/48/08/354564808.db2.gz GBYLDMZVYCBSEB-SECBINFHSA-N 1 2 238.237 2.511 20 0 BFADLO Cc1cc(N2CCC(F)(F)C2)nc(C2CC2)[nH+]1 ZINC000334815978 354574355 /nfs/dbraw/zinc/57/43/55/354574355.db2.gz CIRFCMBGRYBUHM-UHFFFAOYSA-N 1 2 239.269 2.508 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000334755653 354577907 /nfs/dbraw/zinc/57/79/07/354577907.db2.gz IDTYWFYMDNERJI-GWCFXTLKSA-N 1 2 237.347 2.951 20 0 BFADLO CC[C@@]1(C)CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000334755653 354577910 /nfs/dbraw/zinc/57/79/10/354577910.db2.gz IDTYWFYMDNERJI-GWCFXTLKSA-N 1 2 237.347 2.951 20 0 BFADLO FC(F)c1noc(C[N@@H+]2CCCC23CCC3)n1 ZINC000335114644 354703551 /nfs/dbraw/zinc/70/35/51/354703551.db2.gz WOBYPEMTAHIRMO-UHFFFAOYSA-N 1 2 243.257 2.526 20 0 BFADLO FC(F)c1noc(C[N@H+]2CCCC23CCC3)n1 ZINC000335114644 354703554 /nfs/dbraw/zinc/70/35/54/354703554.db2.gz WOBYPEMTAHIRMO-UHFFFAOYSA-N 1 2 243.257 2.526 20 0 BFADLO CC[C@@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(F)F ZINC000639213512 354791795 /nfs/dbraw/zinc/79/17/95/354791795.db2.gz HKUJQYRYBOIVBQ-NXEZZACHSA-N 1 2 243.301 2.505 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)c1nc2ccccc2s1 ZINC000345654911 354738472 /nfs/dbraw/zinc/73/84/72/354738472.db2.gz FFCYHVNWRMPVTD-UHFFFAOYSA-N 1 2 244.323 2.656 20 0 BFADLO CCC(=O)CCC[N@H+](C)Cc1csc(C)n1 ZINC000232842233 363385874 /nfs/dbraw/zinc/38/58/74/363385874.db2.gz ICNXMJHPHKXPOW-UHFFFAOYSA-N 1 2 240.372 2.643 20 0 BFADLO CCC(=O)CCC[N@@H+](C)Cc1csc(C)n1 ZINC000232842233 363385881 /nfs/dbraw/zinc/38/58/81/363385881.db2.gz ICNXMJHPHKXPOW-UHFFFAOYSA-N 1 2 240.372 2.643 20 0 BFADLO Cc1ncc(C(=O)Nc2c(C)cc[nH+]c2C)s1 ZINC000335205069 355039821 /nfs/dbraw/zinc/03/98/21/355039821.db2.gz SGFONNLWULNBJO-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO CC(C)c1nc(N2[C@H](C)C[C@H]2C)cc[nH+]1 ZINC000335206485 355041957 /nfs/dbraw/zinc/04/19/57/355041957.db2.gz KAVGPSGEMQAUNH-NXEZZACHSA-N 1 2 205.305 2.587 20 0 BFADLO CC(C)c1nc(N2CCC[C@H](F)C2)cc[nH+]1 ZINC000335206788 355043071 /nfs/dbraw/zinc/04/30/71/355043071.db2.gz KVEDYDUZLYKJPG-JTQLQIEISA-N 1 2 223.295 2.538 20 0 BFADLO CCSCc1[nH+]ccn1CC(F)(F)F ZINC000352002048 134028609 /nfs/dbraw/zinc/02/86/09/134028609.db2.gz JTHFVFPGWONDBR-UHFFFAOYSA-N 1 2 224.251 2.699 20 0 BFADLO CC[C@@H]1OCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000335181514 355078713 /nfs/dbraw/zinc/07/87/13/355078713.db2.gz XQRCVRYSZVINMR-YPMHNXCESA-N 1 2 245.326 2.553 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000335185183 355083166 /nfs/dbraw/zinc/08/31/66/355083166.db2.gz TZSFVWKBQQYBMN-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000335185183 355083170 /nfs/dbraw/zinc/08/31/70/355083170.db2.gz TZSFVWKBQQYBMN-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO Cc1nc(N2CC[C@@H](C(F)(F)F)[C@@H]2C)cc[nH+]1 ZINC000335215092 355053122 /nfs/dbraw/zinc/05/31/22/355053122.db2.gz BMXQLFQFEKZOMZ-IONNQARKSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@@H](C)C2)[nH+]1 ZINC000346696878 355060547 /nfs/dbraw/zinc/06/05/47/355060547.db2.gz XEBHUEOPWYOYAH-UWVGGRQHSA-N 1 2 244.342 2.749 20 0 BFADLO COc1cccc([C@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000346774595 355114239 /nfs/dbraw/zinc/11/42/39/355114239.db2.gz FLWXBQNESGAFSP-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO Cc1cc(NC(=O)C[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346817902 355124138 /nfs/dbraw/zinc/12/41/38/355124138.db2.gz PNLINLPRNSXCHC-AAEUAGOBSA-N 1 2 246.354 2.967 20 0 BFADLO CC[C@@H](NC(=O)CC1CC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000346895149 355147452 /nfs/dbraw/zinc/14/74/52/355147452.db2.gz BYNMKAKPKFJKQD-LLVKDONJSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413087277 191355953 /nfs/dbraw/zinc/35/59/53/191355953.db2.gz DUOXVNRMHSMBOE-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413087277 191355956 /nfs/dbraw/zinc/35/59/56/191355956.db2.gz DUOXVNRMHSMBOE-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CCc1cc(N)nc(S[C@H](C)C(C)C)[nH+]1 ZINC000413004555 191336568 /nfs/dbraw/zinc/33/65/68/191336568.db2.gz KIIOJJYOLLZJTE-MRVPVSSYSA-N 1 2 225.361 2.588 20 0 BFADLO COCC[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000413494121 191389879 /nfs/dbraw/zinc/38/98/79/191389879.db2.gz PZMXMSUZFVQEBK-GFCCVEGCSA-N 1 2 244.338 2.741 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC(C)(C)C[C@H]2C)[nH+]1 ZINC000413560025 191397090 /nfs/dbraw/zinc/39/70/90/191397090.db2.gz KOLATJHARDHFPD-SECBINFHSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc(N2CC(C(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000413365275 191374936 /nfs/dbraw/zinc/37/49/36/191374936.db2.gz OTVGSCMEDMBPAA-UHFFFAOYSA-N 1 2 233.359 2.884 20 0 BFADLO COC1(C[N@@H+]2CCCC(F)(F)C2)CCCC1 ZINC000651896642 491077562 /nfs/dbraw/zinc/07/75/62/491077562.db2.gz ZUYDHEBLYYYXSB-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO COC1(C[N@H+]2CCCC(F)(F)C2)CCCC1 ZINC000651896642 491077564 /nfs/dbraw/zinc/07/75/64/491077564.db2.gz ZUYDHEBLYYYXSB-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccon1 ZINC000349243525 355375139 /nfs/dbraw/zinc/37/51/39/355375139.db2.gz MZHCCIPXMHAVPW-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CC(C)(C)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000335786177 355436294 /nfs/dbraw/zinc/43/62/94/355436294.db2.gz HWFLUXGRSNECKE-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)(C)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335786177 355436295 /nfs/dbraw/zinc/43/62/95/355436295.db2.gz HWFLUXGRSNECKE-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CCc1cc(NCc2c[nH+]cn2C)ccc1F ZINC000349766163 355441212 /nfs/dbraw/zinc/44/12/12/355441212.db2.gz BWKSZGUQUJVHPY-UHFFFAOYSA-N 1 2 233.290 2.734 20 0 BFADLO Clc1ccsc1COCc1[nH]cc[nH+]1 ZINC000349818982 355469348 /nfs/dbraw/zinc/46/93/48/355469348.db2.gz NRTRNFOADGZVIA-UHFFFAOYSA-N 1 2 228.704 2.841 20 0 BFADLO Cn1c[nH+]cc1CSc1ccc(F)cc1F ZINC000335803523 355473490 /nfs/dbraw/zinc/47/34/90/355473490.db2.gz NSLIMZKYGRYXEF-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(F)cn1 ZINC000349835275 355489816 /nfs/dbraw/zinc/48/98/16/355489816.db2.gz PRNDVBPNUYMVOQ-BDAKNGLRSA-N 1 2 235.262 2.621 20 0 BFADLO C[NH2+]Cc1noc(CC2CCC(C)(C)CC2)n1 ZINC000349934291 355530798 /nfs/dbraw/zinc/53/07/98/355530798.db2.gz KGGIPCXIGCPTKS-UHFFFAOYSA-N 1 2 237.347 2.548 20 0 BFADLO C[NH2+]Cc1noc(/C(C)=C\c2ccc(C)cc2)n1 ZINC000349937761 355531687 /nfs/dbraw/zinc/53/16/87/355531687.db2.gz VHNBAMDSTZRJCX-FLIBITNWSA-N 1 2 243.310 2.658 20 0 BFADLO CCc1ccc(C[NH2+]C(CF)CF)s1 ZINC000583545956 355522337 /nfs/dbraw/zinc/52/23/37/355522337.db2.gz XJVYUJCXYOFGRD-UHFFFAOYSA-N 1 2 219.300 2.708 20 0 BFADLO C[NH2+]Cc1noc(C[C@@H]2CCCC(C)(C)C2)n1 ZINC000349908390 355523996 /nfs/dbraw/zinc/52/39/96/355523996.db2.gz JIJFWCAQQQDJLR-JTQLQIEISA-N 1 2 237.347 2.548 20 0 BFADLO c1[nH+]cc(NCCC[C@H]2CCO2)c2c1CCCC2 ZINC000639302128 355646150 /nfs/dbraw/zinc/64/61/50/355646150.db2.gz CJMHHMSXDFONAT-ZDUSSCGKSA-N 1 2 246.354 2.941 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC(C)(C)C[C@@H]1C ZINC000583575454 355657624 /nfs/dbraw/zinc/65/76/24/355657624.db2.gz GBSYIZOLSYUCHC-JTQLQIEISA-N 1 2 219.332 2.718 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2cnc[nH]2)c1C ZINC000639301143 355636835 /nfs/dbraw/zinc/63/68/35/355636835.db2.gz MPNUZYRMTNJHLL-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2cnc[nH]2)c1C ZINC000639301143 355636838 /nfs/dbraw/zinc/63/68/38/355636838.db2.gz MPNUZYRMTNJHLL-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2c[nH]cn2)c1C ZINC000639301143 355636841 /nfs/dbraw/zinc/63/68/41/355636841.db2.gz MPNUZYRMTNJHLL-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2c[nH]cn2)c1C ZINC000639301143 355636844 /nfs/dbraw/zinc/63/68/44/355636844.db2.gz MPNUZYRMTNJHLL-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccc(Cc2noc(C[C@@H]3C[C@@H]3C)n2)c[nH+]1 ZINC000350409620 355698685 /nfs/dbraw/zinc/69/86/85/355698685.db2.gz DKRIAKCYWQOJHX-CABZTGNLSA-N 1 2 243.310 2.562 20 0 BFADLO COc1ccsc1C[N@H+](C)Cc1ccccn1 ZINC000350389384 355701046 /nfs/dbraw/zinc/70/10/46/355701046.db2.gz ISINVQPUSSQSRR-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccsc1C[N@@H+](C)Cc1ccccn1 ZINC000350389384 355701048 /nfs/dbraw/zinc/70/10/48/355701048.db2.gz ISINVQPUSSQSRR-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccoc1C ZINC000350682042 355740635 /nfs/dbraw/zinc/74/06/35/355740635.db2.gz NRFYYJQNQXWEGK-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccoc1C ZINC000350682042 355740638 /nfs/dbraw/zinc/74/06/38/355740638.db2.gz NRFYYJQNQXWEGK-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc(F)c1N ZINC000639350647 355799135 /nfs/dbraw/zinc/79/91/35/355799135.db2.gz LQMXNRFSMJQAAL-UHFFFAOYSA-N 1 2 232.249 2.543 20 0 BFADLO CC[C@@H]1C[C@H](Nc2c[nH+]cc(N(C)C)c2)CCO1 ZINC000639364238 355833412 /nfs/dbraw/zinc/83/34/12/355833412.db2.gz GYJGXMOYXYWNGA-BXUZGUMPSA-N 1 2 249.358 2.517 20 0 BFADLO C[C@@H](Cc1ccoc1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364304 355834080 /nfs/dbraw/zinc/83/40/80/355834080.db2.gz HKBQEQCOBNDALU-NSHDSACASA-N 1 2 245.326 2.784 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(Cl)cc1 ZINC000034937778 355872669 /nfs/dbraw/zinc/87/26/69/355872669.db2.gz AFPVSRGLJHYFAF-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO CC[C@@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000389280593 355947788 /nfs/dbraw/zinc/94/77/88/355947788.db2.gz RMFPWLMCGKHMRM-VXNVDRBHSA-N 1 2 209.255 2.963 20 0 BFADLO CC(C)=CC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608751286 355963800 /nfs/dbraw/zinc/96/38/00/355963800.db2.gz SRQLYENYZZARCK-UWVGGRQHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608751286 355963805 /nfs/dbraw/zinc/96/38/05/355963805.db2.gz SRQLYENYZZARCK-UWVGGRQHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)(C)Oc1cccc(Cn2cc[nH+]c2)n1 ZINC000351703974 356064062 /nfs/dbraw/zinc/06/40/62/356064062.db2.gz UKSYUSPAEQQSEL-UHFFFAOYSA-N 1 2 231.299 2.504 20 0 BFADLO C[NH+](C)Cc1nc([C@@H]2CCCC(C)(C)C2)no1 ZINC000335911315 356123228 /nfs/dbraw/zinc/12/32/28/356123228.db2.gz UMCPDWMFNPUNNE-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ccc(NC(=O)N(C)[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000336094255 134079573 /nfs/dbraw/zinc/07/95/73/134079573.db2.gz QVGKPAFHSBOJEB-LBPRGKRZSA-N 1 2 247.342 2.961 20 0 BFADLO CC(=O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000639437146 356215586 /nfs/dbraw/zinc/21/55/86/356215586.db2.gz XDGBBUGNSZTNCO-UHFFFAOYSA-N 1 2 233.286 2.504 20 0 BFADLO CC(=O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000639437146 356215589 /nfs/dbraw/zinc/21/55/89/356215589.db2.gz XDGBBUGNSZTNCO-UHFFFAOYSA-N 1 2 233.286 2.504 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000639439554 356216769 /nfs/dbraw/zinc/21/67/69/356216769.db2.gz ILQNNHCMSRUIAO-SNVBAGLBSA-N 1 2 228.286 2.910 20 0 BFADLO CCC(F)(F)C[N@H+]1CCn2cccc2[C@H]1C ZINC000639439554 356216771 /nfs/dbraw/zinc/21/67/71/356216771.db2.gz ILQNNHCMSRUIAO-SNVBAGLBSA-N 1 2 228.286 2.910 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3C[C@@H]3C)cc2[nH+]1 ZINC000352144603 134081948 /nfs/dbraw/zinc/08/19/48/134081948.db2.gz ALLUATIVLFFZMI-WPRPVWTQSA-N 1 2 243.310 2.856 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@H]2C[C@H](C)C[C@H](C)C2)c[nH+]1 ZINC000617666499 356266957 /nfs/dbraw/zinc/26/69/57/356266957.db2.gz MVKQMHOOFVHJTE-IAZYJMLFSA-N 1 2 249.358 2.520 20 0 BFADLO CCC(F)(F)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000639476209 356270599 /nfs/dbraw/zinc/27/05/99/356270599.db2.gz BUULWUYUXTZPRO-LLVKDONJSA-N 1 2 243.301 2.565 20 0 BFADLO CCC(F)(F)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000639476210 356270749 /nfs/dbraw/zinc/27/07/49/356270749.db2.gz BUULWUYUXTZPRO-NSHDSACASA-N 1 2 243.301 2.565 20 0 BFADLO Cc1cc(C)c(CN(C)Cc2ccon2)c(C)[nH+]1 ZINC000639496347 356323251 /nfs/dbraw/zinc/32/32/51/356323251.db2.gz UYPWBDYHMKGCDP-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC(C)COc1cccc(Cn2cc[nH+]c2)c1 ZINC000639523296 356367820 /nfs/dbraw/zinc/36/78/20/356367820.db2.gz BGTQCFUGWYHVRO-UHFFFAOYSA-N 1 2 230.311 2.966 20 0 BFADLO CC[C@](C)([NH2+]C[C@@H]1CCO[C@@H]1C)C(F)(F)F ZINC000639536498 356387362 /nfs/dbraw/zinc/38/73/62/356387362.db2.gz ZLQBAEFBHLRYRW-UTLUCORTSA-N 1 2 239.281 2.732 20 0 BFADLO CCc1cc(NC(C2CC2)C2CC2)nc[nH+]1 ZINC000049235821 356390006 /nfs/dbraw/zinc/39/00/06/356390006.db2.gz YXMVOOQISQSDQI-UHFFFAOYSA-N 1 2 217.316 2.640 20 0 BFADLO CCC[C@H]([NH2+]CC(=O)OCC)c1ccccc1 ZINC000037394430 356394081 /nfs/dbraw/zinc/39/40/81/356394081.db2.gz JNYSACVKHOEUBO-ZDUSSCGKSA-N 1 2 235.327 2.681 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000449764021 202028431 /nfs/dbraw/zinc/02/84/31/202028431.db2.gz XOKNERBCIRJWON-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000449764021 202028433 /nfs/dbraw/zinc/02/84/33/202028433.db2.gz XOKNERBCIRJWON-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO CC(=O)C[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000639557942 356462089 /nfs/dbraw/zinc/46/20/89/356462089.db2.gz VCCZEYUWEPWZIC-ONGXEEELSA-N 1 2 235.302 2.722 20 0 BFADLO CC(=O)C[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000639557942 356462094 /nfs/dbraw/zinc/46/20/94/356462094.db2.gz VCCZEYUWEPWZIC-ONGXEEELSA-N 1 2 235.302 2.722 20 0 BFADLO Cc1nc(N2CC[C@@H](C3CCCC3)C2)cc[nH+]1 ZINC000420615437 192249254 /nfs/dbraw/zinc/24/92/54/192249254.db2.gz DKHMLRJXAIXVHM-CYBMUJFWSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CC[C@@H](C3CCCC3)C2)nc[nH+]1 ZINC000420617073 192249551 /nfs/dbraw/zinc/24/95/51/192249551.db2.gz JHWYCXNEONECGZ-CYBMUJFWSA-N 1 2 231.343 2.802 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000639561786 356476500 /nfs/dbraw/zinc/47/65/00/356476500.db2.gz IZDLQRIGYYGYBJ-LBPRGKRZSA-N 1 2 243.297 2.745 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nccs2)on1 ZINC000336160135 134110352 /nfs/dbraw/zinc/11/03/52/134110352.db2.gz ITRIQZYQCLHWNE-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2nccs2)on1 ZINC000336160135 134110353 /nfs/dbraw/zinc/11/03/53/134110353.db2.gz ITRIQZYQCLHWNE-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cc1nn(C)cc1Cl ZINC000420917825 192272794 /nfs/dbraw/zinc/27/27/94/192272794.db2.gz UJNXOCXIPVMFPN-SECBINFHSA-N 1 2 229.755 2.551 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420917825 192272797 /nfs/dbraw/zinc/27/27/97/192272797.db2.gz UJNXOCXIPVMFPN-SECBINFHSA-N 1 2 229.755 2.551 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000639573102 356496399 /nfs/dbraw/zinc/49/63/99/356496399.db2.gz XFMFKXLIHINOFF-MNOVXSKESA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000639573102 356496402 /nfs/dbraw/zinc/49/64/02/356496402.db2.gz XFMFKXLIHINOFF-MNOVXSKESA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](CO)c1sccc1C ZINC000639595934 356514792 /nfs/dbraw/zinc/51/47/92/356514792.db2.gz PHDVMEWWSUYJLE-SECBINFHSA-N 1 2 249.326 2.725 20 0 BFADLO CCc1cccc2c1[N@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420937143 192288546 /nfs/dbraw/zinc/28/85/46/192288546.db2.gz NOWUQEFKWAMJNB-JNSHFYNHSA-N 1 2 245.366 2.773 20 0 BFADLO CCc1cccc2c1[N@@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420937143 192288547 /nfs/dbraw/zinc/28/85/47/192288547.db2.gz NOWUQEFKWAMJNB-JNSHFYNHSA-N 1 2 245.366 2.773 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000639625232 356538773 /nfs/dbraw/zinc/53/87/73/356538773.db2.gz RGBDEZUPKGQYAR-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000639625232 356538778 /nfs/dbraw/zinc/53/87/78/356538778.db2.gz RGBDEZUPKGQYAR-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(F)F ZINC000228483819 491095259 /nfs/dbraw/zinc/09/52/59/491095259.db2.gz HJJOAFIVTKLXBV-KWQFWETISA-N 1 2 211.255 2.917 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCS[C@H](C)CC1 ZINC000639633574 356547898 /nfs/dbraw/zinc/54/78/98/356547898.db2.gz LYWYYDUIUJCUDI-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCC(F)(F)C[N@H+]1CCS[C@H](C)CC1 ZINC000639633574 356547902 /nfs/dbraw/zinc/54/79/02/356547902.db2.gz LYWYYDUIUJCUDI-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO COC(=O)C[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421008371 192300532 /nfs/dbraw/zinc/30/05/32/192300532.db2.gz MDOSYMJSWZHOSL-SNVBAGLBSA-N 1 2 241.356 2.693 20 0 BFADLO COC(=O)C[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421008371 192300534 /nfs/dbraw/zinc/30/05/34/192300534.db2.gz MDOSYMJSWZHOSL-SNVBAGLBSA-N 1 2 241.356 2.693 20 0 BFADLO Clc1ccc(C[N@@H+]2CC[C@@]23CCOC3)s1 ZINC000421017603 192304285 /nfs/dbraw/zinc/30/42/85/192304285.db2.gz KHWOBQPTOVJSTH-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Clc1ccc(C[N@H+]2CC[C@@]23CCOC3)s1 ZINC000421017603 192304287 /nfs/dbraw/zinc/30/42/87/192304287.db2.gz KHWOBQPTOVJSTH-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO CCC[C@@]1(CO)CC[N@H+](CC(F)(F)CC)C1 ZINC000639648156 356554442 /nfs/dbraw/zinc/55/44/42/356554442.db2.gz YLHUQXVNCUMATD-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO CCC[C@@]1(CO)CC[N@@H+](CC(F)(F)CC)C1 ZINC000639648156 356554444 /nfs/dbraw/zinc/55/44/44/356554444.db2.gz YLHUQXVNCUMATD-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO CC[C@@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000421207259 192313322 /nfs/dbraw/zinc/31/33/22/192313322.db2.gz VVCYHYUZPVHQJW-BXUZGUMPSA-N 1 2 249.354 2.845 20 0 BFADLO CC[C@@H](C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000421065634 192307425 /nfs/dbraw/zinc/30/74/25/192307425.db2.gz KHYVNELWFLQWSR-SECBINFHSA-N 1 2 235.331 2.866 20 0 BFADLO CC[C@@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421334110 192318812 /nfs/dbraw/zinc/31/88/12/192318812.db2.gz YDBGJKBKDZSMBN-MRVPVSSYSA-N 1 2 229.755 2.612 20 0 BFADLO CC[C@@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421334110 192318816 /nfs/dbraw/zinc/31/88/16/192318816.db2.gz YDBGJKBKDZSMBN-MRVPVSSYSA-N 1 2 229.755 2.612 20 0 BFADLO Cc1c(Cl)c(C[NH2+]Cc2ccccc2)nn1C ZINC000421334860 192318824 /nfs/dbraw/zinc/31/88/24/192318824.db2.gz QWIDSWZEBSRPHY-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO CCC(CC)[C@H]([NH2+]CC(=O)OC)c1ccccc1 ZINC000179792471 366307502 /nfs/dbraw/zinc/30/75/02/366307502.db2.gz ABQIIAPDHNOLLQ-HNNXBMFYSA-N 1 2 249.354 2.927 20 0 BFADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)C1CCC1 ZINC000421318653 192317002 /nfs/dbraw/zinc/31/70/02/192317002.db2.gz GXWZXJUYUYJDMC-UHFFFAOYSA-N 1 2 241.766 2.756 20 0 BFADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)C1CCC1 ZINC000421318653 192317005 /nfs/dbraw/zinc/31/70/05/192317005.db2.gz GXWZXJUYUYJDMC-UHFFFAOYSA-N 1 2 241.766 2.756 20 0 BFADLO c1coc([C@H]2N(Cc3c[nH+]c[nH]3)CC23CCC3)c1 ZINC000336211700 134134580 /nfs/dbraw/zinc/13/45/80/134134580.db2.gz HXJTZSNOZZMSHZ-CYBMUJFWSA-N 1 2 243.310 2.730 20 0 BFADLO CCC(F)(F)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000639662150 356575965 /nfs/dbraw/zinc/57/59/65/356575965.db2.gz AXGHTVPBPPZWTO-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO CCC(F)(F)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000639662150 356575967 /nfs/dbraw/zinc/57/59/67/356575967.db2.gz AXGHTVPBPPZWTO-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1c(C)noc1C ZINC000301809590 356579472 /nfs/dbraw/zinc/57/94/72/356579472.db2.gz DDPYRWQMJYBUMB-LLVKDONJSA-N 1 2 246.314 2.953 20 0 BFADLO CCO[C@@H]1CC[N@H+](CC(F)(F)CC)C[C@@H]1C ZINC000639665343 356579513 /nfs/dbraw/zinc/57/95/13/356579513.db2.gz XRZGUHSCZSHZHO-WDEREUQCSA-N 1 2 235.318 2.779 20 0 BFADLO CCO[C@@H]1CC[N@@H+](CC(F)(F)CC)C[C@@H]1C ZINC000639665343 356579514 /nfs/dbraw/zinc/57/95/14/356579514.db2.gz XRZGUHSCZSHZHO-WDEREUQCSA-N 1 2 235.318 2.779 20 0 BFADLO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCCC3)c21 ZINC000450207788 202095814 /nfs/dbraw/zinc/09/58/14/202095814.db2.gz HOWLTILQRGWJSJ-UHFFFAOYSA-N 1 2 238.294 2.711 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000639723231 356619985 /nfs/dbraw/zinc/61/99/85/356619985.db2.gz CZBGJHVPJWBLIW-QMMMGPOBSA-N 1 2 225.229 2.763 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000639723231 356619988 /nfs/dbraw/zinc/61/99/88/356619988.db2.gz CZBGJHVPJWBLIW-QMMMGPOBSA-N 1 2 225.229 2.763 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000639719335 356620282 /nfs/dbraw/zinc/62/02/82/356620282.db2.gz CJYVQWIUNLSOOW-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000639719335 356620288 /nfs/dbraw/zinc/62/02/88/356620288.db2.gz CJYVQWIUNLSOOW-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO C[C@H](c1csnn1)[N@H+](C)CC(C)(C)C ZINC000450339626 202135301 /nfs/dbraw/zinc/13/53/01/202135301.db2.gz BGLBBORPIHYICL-MRVPVSSYSA-N 1 2 213.350 2.577 20 0 BFADLO C[C@H](c1csnn1)[N@@H+](C)CC(C)(C)C ZINC000450339626 202135303 /nfs/dbraw/zinc/13/53/03/202135303.db2.gz BGLBBORPIHYICL-MRVPVSSYSA-N 1 2 213.350 2.577 20 0 BFADLO Cc1cnccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389438987 356671947 /nfs/dbraw/zinc/67/19/47/356671947.db2.gz GGFBTXSIHLODFZ-VIFPVBQESA-N 1 2 214.259 2.523 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cncs1 ZINC000389464947 356679152 /nfs/dbraw/zinc/67/91/52/356679152.db2.gz HYEUTGBCRDQVOP-RNFRBKRXSA-N 1 2 220.288 2.837 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(C)(F)F ZINC000389479757 356687309 /nfs/dbraw/zinc/68/73/09/356687309.db2.gz UAOAUCHBJOMCTO-DTWKUNHWSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(F)F ZINC000389494203 356693891 /nfs/dbraw/zinc/69/38/91/356693891.db2.gz WOLGTFQPAJTJIU-HRDYMLBCSA-N 1 2 229.274 2.522 20 0 BFADLO C[C@@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(F)F ZINC000389494202 356694566 /nfs/dbraw/zinc/69/45/66/356694566.db2.gz WOLGTFQPAJTJIU-HLTSFMKQSA-N 1 2 229.274 2.522 20 0 BFADLO Cc1ncc(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389468682 356682278 /nfs/dbraw/zinc/68/22/78/356682278.db2.gz LUVWSQHUIXKPJX-ZCFIWIBFSA-N 1 2 220.288 2.585 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000054172164 363563624 /nfs/dbraw/zinc/56/36/24/363563624.db2.gz PKTNPYYUEVFHTI-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000054172164 363563628 /nfs/dbraw/zinc/56/36/28/363563628.db2.gz PKTNPYYUEVFHTI-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000054172131 363563836 /nfs/dbraw/zinc/56/38/36/363563836.db2.gz OTJMOIFNCHDSAG-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000054172131 363563840 /nfs/dbraw/zinc/56/38/40/363563840.db2.gz OTJMOIFNCHDSAG-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1OCC[C@H]1SCc1c[nH+]c2ccccn12 ZINC000180003928 366353301 /nfs/dbraw/zinc/35/33/01/366353301.db2.gz XXIHCOCRSAOIIP-CMPLNLGQSA-N 1 2 248.351 2.745 20 0 BFADLO Cc1ccc(Cc2nc(-c3ccoc3)no2)c[nH+]1 ZINC000350821871 366345018 /nfs/dbraw/zinc/34/50/18/366345018.db2.gz YLLLGXQDOJFEJP-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346215 363568926 /nfs/dbraw/zinc/56/89/26/363568926.db2.gz QQZHAWYUQYIVNG-UONOGXRCSA-N 1 2 235.302 2.579 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000054346215 363568931 /nfs/dbraw/zinc/56/89/31/363568931.db2.gz QQZHAWYUQYIVNG-UONOGXRCSA-N 1 2 235.302 2.579 20 0 BFADLO CO[C@@H]1C[N@H+](Cc2cccc(C(C)C)c2)CCO1 ZINC000639839009 356832865 /nfs/dbraw/zinc/83/28/65/356832865.db2.gz YBQTWZXKNFNFND-HNNXBMFYSA-N 1 2 249.354 2.615 20 0 BFADLO CO[C@@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CCO1 ZINC000639839009 356832867 /nfs/dbraw/zinc/83/28/67/356832867.db2.gz YBQTWZXKNFNFND-HNNXBMFYSA-N 1 2 249.354 2.615 20 0 BFADLO Fc1cc2[nH+]cn(CC(F)F)c2cc1F ZINC000166290323 538719557 /nfs/dbraw/zinc/71/95/57/538719557.db2.gz RRAGLHRWWRRCHS-UHFFFAOYSA-N 1 2 218.153 2.580 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000361259772 356923345 /nfs/dbraw/zinc/92/33/45/356923345.db2.gz NFFVGBJWDGBTKD-NSHDSACASA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000361259772 356923346 /nfs/dbraw/zinc/92/33/46/356923346.db2.gz NFFVGBJWDGBTKD-NSHDSACASA-N 1 2 235.318 2.513 20 0 BFADLO Cc1c(N[C@H](C)c2[nH]cc[nH+]2)cnn1CC(C)C ZINC000353666135 538754188 /nfs/dbraw/zinc/75/41/88/538754188.db2.gz NLUKABYGDBZDMB-SNVBAGLBSA-N 1 2 247.346 2.744 20 0 BFADLO CC1(C)CN(c2[nH]c3ccccc3[nH+]2)CCCO1 ZINC000371360654 357038486 /nfs/dbraw/zinc/03/84/86/357038486.db2.gz PAKDBFLOTJUNIC-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CCC[N@H+](Cc1nnc(OCC)s1)C(C)C ZINC000582309815 357048933 /nfs/dbraw/zinc/04/89/33/357048933.db2.gz PUHUJBCNWKIRAP-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO CCC[N@@H+](Cc1nnc(OCC)s1)C(C)C ZINC000582309815 357048939 /nfs/dbraw/zinc/04/89/39/357048939.db2.gz PUHUJBCNWKIRAP-UHFFFAOYSA-N 1 2 243.376 2.557 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000639884928 357161103 /nfs/dbraw/zinc/16/11/03/357161103.db2.gz OIXHQRBQFWLPOB-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000639884928 357161107 /nfs/dbraw/zinc/16/11/07/357161107.db2.gz OIXHQRBQFWLPOB-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO Cc1ccoc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000628419161 357240007 /nfs/dbraw/zinc/24/00/07/357240007.db2.gz OPKRSEWCQQTCNZ-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO Cc1ccoc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000628419161 357240011 /nfs/dbraw/zinc/24/00/11/357240011.db2.gz OPKRSEWCQQTCNZ-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccoc1 ZINC000393334158 357281442 /nfs/dbraw/zinc/28/14/42/357281442.db2.gz VOOICRFAOCAIPS-QMMMGPOBSA-N 1 2 239.706 2.517 20 0 BFADLO CC(C)(C)[C@H]([NH2+]CCCCCO)C(F)(F)F ZINC000393765493 357297703 /nfs/dbraw/zinc/29/77/03/357297703.db2.gz CJCZAHZQCQUBKE-VIFPVBQESA-N 1 2 241.297 2.716 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)CC2CCC2)cc[nH+]1 ZINC000639901644 357302619 /nfs/dbraw/zinc/30/26/19/357302619.db2.gz ZBUIQRZVXPPMJT-LLVKDONJSA-N 1 2 247.342 2.512 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628426962 357257525 /nfs/dbraw/zinc/25/75/25/357257525.db2.gz XJDTXKWSIZDDCV-AAEUAGOBSA-N 1 2 247.338 2.768 20 0 BFADLO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccn[nH]1 ZINC000623408477 357405698 /nfs/dbraw/zinc/40/56/98/357405698.db2.gz XKSOYCFMWNEZNC-UHFFFAOYSA-N 1 2 231.290 2.571 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000054982800 363582822 /nfs/dbraw/zinc/58/28/22/363582822.db2.gz DUUXPKYETNYPDN-PHIMTYICSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1noc([C@H](C)[N@H+](CC)Cc2ccoc2)n1 ZINC000102517827 357477493 /nfs/dbraw/zinc/47/74/93/357477493.db2.gz NTJSVOPGPHVYQX-JTQLQIEISA-N 1 2 249.314 2.808 20 0 BFADLO CCc1noc([C@H](C)[N@@H+](CC)Cc2ccoc2)n1 ZINC000102517827 357477495 /nfs/dbraw/zinc/47/74/95/357477495.db2.gz NTJSVOPGPHVYQX-JTQLQIEISA-N 1 2 249.314 2.808 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000054982800 363582815 /nfs/dbraw/zinc/58/28/15/363582815.db2.gz DUUXPKYETNYPDN-PHIMTYICSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1ccc(C)c([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000231792071 357629949 /nfs/dbraw/zinc/62/99/49/357629949.db2.gz BZUAETGYFFADLN-NSHDSACASA-N 1 2 243.297 2.582 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc(F)cc2F)o1 ZINC000397864187 357756830 /nfs/dbraw/zinc/75/68/30/357756830.db2.gz FOMWMNCFEPPMDN-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1ncccn1)C1CC1 ZINC000192116197 357823669 /nfs/dbraw/zinc/82/36/69/357823669.db2.gz SMBRTYIDRYBLIM-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1ncccn1)C1CC1 ZINC000192116197 357823671 /nfs/dbraw/zinc/82/36/71/357823671.db2.gz SMBRTYIDRYBLIM-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1C ZINC000085183015 134224972 /nfs/dbraw/zinc/22/49/72/134224972.db2.gz ZUOWUFCLLKKSQQ-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CC[N@H+](Cc1nc(CCC(C)C)no1)C1CC1 ZINC000064508314 357849946 /nfs/dbraw/zinc/84/99/46/357849946.db2.gz YLHSPUSFPALCTF-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CC[N@@H+](Cc1nc(CCC(C)C)no1)C1CC1 ZINC000064508314 357849948 /nfs/dbraw/zinc/84/99/48/357849948.db2.gz YLHSPUSFPALCTF-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@H]1CCC[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000193023569 357864934 /nfs/dbraw/zinc/86/49/34/357864934.db2.gz MOPBHRGWFLSYCV-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]1CCC[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000193023569 357864937 /nfs/dbraw/zinc/86/49/37/357864937.db2.gz MOPBHRGWFLSYCV-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@H](Cn1cc[nH+]c1)Nc1nccc2occc21 ZINC000235459001 357870461 /nfs/dbraw/zinc/87/04/61/357870461.db2.gz FHWHAKPOHDCMSP-SNVBAGLBSA-N 1 2 242.282 2.525 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(O)cc1 ZINC000628435455 357997726 /nfs/dbraw/zinc/99/77/26/357997726.db2.gz MPRYWQYCQJYNME-UHFFFAOYSA-N 1 2 215.243 2.527 20 0 BFADLO CC(C)c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000349748068 357967698 /nfs/dbraw/zinc/96/76/98/357967698.db2.gz LSFWGVBYZJKVSB-LBPRGKRZSA-N 1 2 245.326 2.844 20 0 BFADLO CC(C)c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000349748067 357967989 /nfs/dbraw/zinc/96/79/89/357967989.db2.gz LSFWGVBYZJKVSB-GFCCVEGCSA-N 1 2 245.326 2.844 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)C/C=C/c1ccccc1 ZINC000639966810 358020983 /nfs/dbraw/zinc/02/09/83/358020983.db2.gz FQQNYVHAJNYIMY-RMKNXTFCSA-N 1 2 241.338 2.863 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)C/C=C/c1ccccc1 ZINC000639966810 358020984 /nfs/dbraw/zinc/02/09/84/358020984.db2.gz FQQNYVHAJNYIMY-RMKNXTFCSA-N 1 2 241.338 2.863 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccco1)C2 ZINC000628462025 358098372 /nfs/dbraw/zinc/09/83/72/358098372.db2.gz AXQNVEZAASBCOV-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccco1)C2 ZINC000628462025 358098374 /nfs/dbraw/zinc/09/83/74/358098374.db2.gz AXQNVEZAASBCOV-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO CCc1noc([C@@H](C)[NH+]2CCC(C)(F)CC2)n1 ZINC000640070635 358157402 /nfs/dbraw/zinc/15/74/02/358157402.db2.gz LRJSQECUBUVNGR-SECBINFHSA-N 1 2 241.310 2.517 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H](C)CCCO)c1Cl ZINC000450632633 202217321 /nfs/dbraw/zinc/21/73/21/202217321.db2.gz QULMKESNKDBSJN-VIFPVBQESA-N 1 2 242.750 2.864 20 0 BFADLO Cc1nc(N2CC[C@H]2C2CC2)c2c([nH+]1)CCCC2 ZINC000450642508 202222935 /nfs/dbraw/zinc/22/29/35/202222935.db2.gz IQWJEQGRLOIQKY-AWEZNQCLSA-N 1 2 243.354 2.653 20 0 BFADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccc2c(c1)CCC2 ZINC000041014782 358240652 /nfs/dbraw/zinc/24/06/52/358240652.db2.gz OKYSPRXHKXKEDP-NSHDSACASA-N 1 2 241.338 2.749 20 0 BFADLO Fc1ccc([C@H]([NH2+]Cc2ccn[nH]2)C2CC2)cc1 ZINC000041015598 358241340 /nfs/dbraw/zinc/24/13/40/358241340.db2.gz FXSIXWWAIMZWGY-CQSZACIVSA-N 1 2 245.301 2.790 20 0 BFADLO CC(C)=CCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000450669231 202230397 /nfs/dbraw/zinc/23/03/97/202230397.db2.gz BQTDLGCRIZFXFA-LLVKDONJSA-N 1 2 219.332 2.754 20 0 BFADLO Cc1csc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000450719645 202244704 /nfs/dbraw/zinc/24/47/04/202244704.db2.gz QSWNXZPMBDGBSU-UHFFFAOYSA-N 1 2 245.351 2.758 20 0 BFADLO COc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000180187669 366392777 /nfs/dbraw/zinc/39/27/77/366392777.db2.gz DZJBWRCAMDBNEC-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CC(C)[N@@H+](Cc1nnsc1Cl)CC1CC1 ZINC000042253459 358344204 /nfs/dbraw/zinc/34/42/04/358344204.db2.gz IVVMXRBRRUTVKQ-UHFFFAOYSA-N 1 2 245.779 2.812 20 0 BFADLO CC(C)[N@H+](Cc1nnsc1Cl)CC1CC1 ZINC000042253459 358344206 /nfs/dbraw/zinc/34/42/06/358344206.db2.gz IVVMXRBRRUTVKQ-UHFFFAOYSA-N 1 2 245.779 2.812 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)o1 ZINC000229127636 358345838 /nfs/dbraw/zinc/34/58/38/358345838.db2.gz PQNQKMYQBJRPMK-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCSCc1[nH+]cc(C)c(OC)c1C ZINC000180366997 366436035 /nfs/dbraw/zinc/43/60/35/366436035.db2.gz VKHYWJLQAIIWEC-UHFFFAOYSA-N 1 2 211.330 2.960 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C[C@H]2C[C@H]2C)n1 ZINC000351228546 366456122 /nfs/dbraw/zinc/45/61/22/366456122.db2.gz GXQDVXPTFOCFLZ-BXKDBHETSA-N 1 2 243.310 2.562 20 0 BFADLO CCCCC[N@H+](Cc1noc(C)n1)C(C)C ZINC000045944169 358567833 /nfs/dbraw/zinc/56/78/33/358567833.db2.gz XSEIWGKFKMIEGN-UHFFFAOYSA-N 1 2 225.336 2.779 20 0 BFADLO CCCCC[N@@H+](Cc1noc(C)n1)C(C)C ZINC000045944169 358567835 /nfs/dbraw/zinc/56/78/35/358567835.db2.gz XSEIWGKFKMIEGN-UHFFFAOYSA-N 1 2 225.336 2.779 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2ccncc2)cs1 ZINC000049591166 358694830 /nfs/dbraw/zinc/69/48/30/358694830.db2.gz OCWUAXHMNGQVMU-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccncc2)cs1 ZINC000049591167 358694843 /nfs/dbraw/zinc/69/48/43/358694843.db2.gz OCWUAXHMNGQVMU-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cnc(CSc2[nH+]cc3ccccn32)o1 ZINC000133764219 358766768 /nfs/dbraw/zinc/76/67/68/358766768.db2.gz XPWXWAKAMSTYFQ-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1)C(=O)OC ZINC000134945904 358811618 /nfs/dbraw/zinc/81/16/18/358811618.db2.gz NQCIZPSCKVNHPK-KBPBESRZSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CCC(C)C)n1 ZINC000351243234 366458989 /nfs/dbraw/zinc/45/89/89/366458989.db2.gz UKDXXGFRPHQTCM-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)C1CCOCC1 ZINC000134337154 358787316 /nfs/dbraw/zinc/78/73/16/358787316.db2.gz KTGDXBDAPLRTGM-JTQLQIEISA-N 1 2 220.316 2.617 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)C2CCOCC2)c1 ZINC000134341881 358787639 /nfs/dbraw/zinc/78/76/39/358787639.db2.gz FVGIRWPLJVZRCD-LLVKDONJSA-N 1 2 220.316 2.617 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000308487269 491136526 /nfs/dbraw/zinc/13/65/26/491136526.db2.gz AJHCXXLCTUVBSF-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO CC(C)C[N@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053607224 358835965 /nfs/dbraw/zinc/83/59/65/358835965.db2.gz QMWOVVCZDRUMRB-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)C[N@@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000053607224 358835969 /nfs/dbraw/zinc/83/59/69/358835969.db2.gz QMWOVVCZDRUMRB-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO C[C@H]1C[N@H+](CCc2ccccc2Cl)CCO1 ZINC000058906908 358916219 /nfs/dbraw/zinc/91/62/19/358916219.db2.gz LNNAMCNVQKWHTI-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H]1C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC000058906908 358916223 /nfs/dbraw/zinc/91/62/23/358916223.db2.gz LNNAMCNVQKWHTI-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H](CC)C2)no1 ZINC000054989323 358879211 /nfs/dbraw/zinc/87/92/11/358879211.db2.gz NPYPLFKCALJNRB-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H](CC)C2)no1 ZINC000054989323 358879215 /nfs/dbraw/zinc/87/92/15/358879215.db2.gz NPYPLFKCALJNRB-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO C(CC1CCOCC1)C[N@@H+]1OC2CCC1CC2 ZINC000640229635 358940106 /nfs/dbraw/zinc/94/01/06/358940106.db2.gz ADEZYVQYERUVGF-UHFFFAOYSA-N 1 2 239.359 2.752 20 0 BFADLO C(CC1CCOCC1)C[N@H+]1OC2CCC1CC2 ZINC000640229635 358940112 /nfs/dbraw/zinc/94/01/12/358940112.db2.gz ADEZYVQYERUVGF-UHFFFAOYSA-N 1 2 239.359 2.752 20 0 BFADLO C(C[N@@H+]1OC2CCC1CC2)[C@@H]1CCCCO1 ZINC000640229958 358941079 /nfs/dbraw/zinc/94/10/79/358941079.db2.gz HJIBISQBSQOKMZ-CPCZMJQVSA-N 1 2 225.332 2.504 20 0 BFADLO C(C[N@H+]1OC2CCC1CC2)[C@@H]1CCCCO1 ZINC000640229958 358941081 /nfs/dbraw/zinc/94/10/81/358941081.db2.gz HJIBISQBSQOKMZ-CPCZMJQVSA-N 1 2 225.332 2.504 20 0 BFADLO CC1(C)C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000073872140 359106974 /nfs/dbraw/zinc/10/69/74/359106974.db2.gz ZWSIAZRGFKODHT-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000073872140 359106977 /nfs/dbraw/zinc/10/69/77/359106977.db2.gz ZWSIAZRGFKODHT-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO COc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443451 359054086 /nfs/dbraw/zinc/05/40/86/359054086.db2.gz OIYJAUJZPXWSJB-SNVBAGLBSA-N 1 2 231.299 2.602 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1cnccn1 ZINC000070477261 359056750 /nfs/dbraw/zinc/05/67/50/359056750.db2.gz ZVNRYPMODRNMBR-SNVBAGLBSA-N 1 2 247.729 2.981 20 0 BFADLO Cc1cc(NC(=O)NCc2ccccc2)cc[nH+]1 ZINC000074921612 359135116 /nfs/dbraw/zinc/13/51/16/359135116.db2.gz AGYVXUUGAQCMPB-UHFFFAOYSA-N 1 2 241.294 2.712 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000246663017 359155438 /nfs/dbraw/zinc/15/54/38/359155438.db2.gz CJWLTTRVGPFPPH-MNOVXSKESA-N 1 2 219.332 2.835 20 0 BFADLO Cc1nc(N2CCC[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000247400945 359218358 /nfs/dbraw/zinc/21/83/58/359218358.db2.gz XFWLOKKWBPPOLK-CHWSQXEVSA-N 1 2 231.343 2.944 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)[C@H]1c1ccccc1 ZINC000248369003 359271499 /nfs/dbraw/zinc/27/14/99/359271499.db2.gz VUNWZNZZJBERDW-BXUZGUMPSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)[C@H]1c1ccccc1 ZINC000248369003 359271502 /nfs/dbraw/zinc/27/15/02/359271502.db2.gz VUNWZNZZJBERDW-BXUZGUMPSA-N 1 2 227.311 2.603 20 0 BFADLO CCCC[C@@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000379578487 359552383 /nfs/dbraw/zinc/55/23/83/359552383.db2.gz CAOIBNIPQIAZPH-CYBMUJFWSA-N 1 2 239.359 2.808 20 0 BFADLO CCC[C@H]([NH2+]CC1=CCCCC1)C(=O)OCC ZINC000379589685 359556266 /nfs/dbraw/zinc/55/62/66/359556266.db2.gz RRHMYSLMUMNSOL-ZDUSSCGKSA-N 1 2 239.359 2.808 20 0 BFADLO COc1ccc(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)[nH+]c1 ZINC000623454495 359618931 /nfs/dbraw/zinc/61/89/31/359618931.db2.gz HHWZSRPKTTWWRL-XDTLVQLUSA-N 1 2 232.327 2.937 20 0 BFADLO Cc1cc(N2C[C@@H](C(C)C)[C@H]2C(C)C)nc[nH+]1 ZINC000450802578 202269544 /nfs/dbraw/zinc/26/95/44/202269544.db2.gz ICFXAXWFRHPTOB-GXTWGEPZSA-N 1 2 233.359 2.902 20 0 BFADLO Cc1nc(N2C[C@H](C(C)C)[C@H]2C(C)C)cc[nH+]1 ZINC000450806629 202273175 /nfs/dbraw/zinc/27/31/75/202273175.db2.gz QZKHEYHDTXGAOW-TZMCWYRMSA-N 1 2 233.359 2.902 20 0 BFADLO c1c[nH+]c(COCCC2=CCCCC2)[nH]1 ZINC000450893968 202301667 /nfs/dbraw/zinc/30/16/67/202301667.db2.gz IDJFQMNTTNPRRQ-UHFFFAOYSA-N 1 2 206.289 2.817 20 0 BFADLO CC[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000450905582 202306551 /nfs/dbraw/zinc/30/65/51/202306551.db2.gz OJMGGHHCYRZXBT-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451116311 202353340 /nfs/dbraw/zinc/35/33/40/202353340.db2.gz RFPQEXMNWJWZSX-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451116311 202353343 /nfs/dbraw/zinc/35/33/43/202353343.db2.gz RFPQEXMNWJWZSX-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451115265 202355289 /nfs/dbraw/zinc/35/52/89/202355289.db2.gz NUHPEJUUPCMRKE-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451115265 202355291 /nfs/dbraw/zinc/35/52/91/202355291.db2.gz NUHPEJUUPCMRKE-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)CC1CCCC1 ZINC000578823429 366653240 /nfs/dbraw/zinc/65/32/40/366653240.db2.gz XJTIITIIBAYLSI-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1F ZINC000088255026 359942387 /nfs/dbraw/zinc/94/23/87/359942387.db2.gz OIARMDWRFMZQJN-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO CC(C)C[N@H+](C[C@@H](C)CO)c1ccccc1 ZINC000309193115 491146217 /nfs/dbraw/zinc/14/62/17/491146217.db2.gz JDBJZDQPHDCLNK-CYBMUJFWSA-N 1 2 221.344 2.777 20 0 BFADLO CC(C)C[N@@H+](C[C@@H](C)CO)c1ccccc1 ZINC000309193115 491146218 /nfs/dbraw/zinc/14/62/18/491146218.db2.gz JDBJZDQPHDCLNK-CYBMUJFWSA-N 1 2 221.344 2.777 20 0 BFADLO CC[C@@H](C)C[N@H+](CCCO)c1ccccc1 ZINC000088546778 359965711 /nfs/dbraw/zinc/96/57/11/359965711.db2.gz CRICTTVLWMPOTL-CYBMUJFWSA-N 1 2 221.344 2.922 20 0 BFADLO CC[C@@H](C)C[N@@H+](CCCO)c1ccccc1 ZINC000088546778 359965713 /nfs/dbraw/zinc/96/57/13/359965713.db2.gz CRICTTVLWMPOTL-CYBMUJFWSA-N 1 2 221.344 2.922 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)cc1C ZINC000090169827 360060500 /nfs/dbraw/zinc/06/05/00/360060500.db2.gz DOVWWXUSNRRMQM-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(F)ccc1F ZINC000090169722 360060540 /nfs/dbraw/zinc/06/05/40/360060540.db2.gz COBIDJDBCCHEIW-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(COC)c1 ZINC000090170206 360061290 /nfs/dbraw/zinc/06/12/90/360061290.db2.gz VOVNFXAGFSCLEL-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)cc1OC ZINC000090172831 360061360 /nfs/dbraw/zinc/06/13/60/360061360.db2.gz WDPDEGKKPBVBRX-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO Cc1ccncc1NCc1c[nH+]cn1C(C)C ZINC000090209300 360065789 /nfs/dbraw/zinc/06/57/89/360065789.db2.gz HEJKSSURUIVJDV-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1[nH+]cccc1NCc1cccc2c1OCO2 ZINC000091495728 360116909 /nfs/dbraw/zinc/11/69/09/360116909.db2.gz PAKAELQLEJNZHT-UHFFFAOYSA-N 1 2 242.278 2.731 20 0 BFADLO CC(C)n1nccc1C[NH2+]C(C)(C)C(F)F ZINC000309352520 491147412 /nfs/dbraw/zinc/14/74/12/491147412.db2.gz NDYRYPJYAQSCPQ-UHFFFAOYSA-N 1 2 231.290 2.597 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOC3(CCC3)C2)o1 ZINC000093639874 360264856 /nfs/dbraw/zinc/26/48/56/360264856.db2.gz HIZQIMZCBGXVCQ-UHFFFAOYSA-N 1 2 241.718 2.688 20 0 BFADLO Clc1ccc(C[N@H+]2CCOC3(CCC3)C2)o1 ZINC000093639874 360264861 /nfs/dbraw/zinc/26/48/61/360264861.db2.gz HIZQIMZCBGXVCQ-UHFFFAOYSA-N 1 2 241.718 2.688 20 0 BFADLO COCCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000097114873 360361378 /nfs/dbraw/zinc/36/13/78/360361378.db2.gz QUXJQQYTAWLADJ-UHFFFAOYSA-N 1 2 247.294 2.659 20 0 BFADLO Cc1cc(N[C@H](C2CCC2)[C@H]2CCCO2)nc[nH+]1 ZINC000631523837 360561623 /nfs/dbraw/zinc/56/16/23/360561623.db2.gz CUAHEWHDVFINGO-TZMCWYRMSA-N 1 2 247.342 2.545 20 0 BFADLO Cc1cc(N[C@H](C2CCC2)[C@@H]2CCCO2)nc[nH+]1 ZINC000631523834 360561886 /nfs/dbraw/zinc/56/18/86/360561886.db2.gz CUAHEWHDVFINGO-GXTWGEPZSA-N 1 2 247.342 2.545 20 0 BFADLO C[C@H](Cc1ccccc1F)Nc1c[nH]c[nH+]1 ZINC000309585650 491151564 /nfs/dbraw/zinc/15/15/64/491151564.db2.gz RRJFQIGXLHGECU-SECBINFHSA-N 1 2 219.263 2.592 20 0 BFADLO C[C@@H]1C[C@@H]1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000629121482 360885495 /nfs/dbraw/zinc/88/54/95/360885495.db2.gz ZGIUEHHNMYLGEW-HTQZYQBOSA-N 1 2 222.238 2.971 20 0 BFADLO CCn1cc(CNc2ccc([NH2+]C)cc2)cn1 ZINC000629389763 361036892 /nfs/dbraw/zinc/03/68/92/361036892.db2.gz VEOXBTFQCTVSCU-UHFFFAOYSA-N 1 2 230.315 2.557 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CC12CCCC2 ZINC000575002491 361293216 /nfs/dbraw/zinc/29/32/16/361293216.db2.gz MCPBGKBLVQHBDI-NSHDSACASA-N 1 2 217.316 2.838 20 0 BFADLO CCc1nc(C)c(C[N@H+](C)Cc2cccnc2)o1 ZINC000428284662 201005628 /nfs/dbraw/zinc/00/56/28/201005628.db2.gz FVLFJEZMWHEROX-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nc(C)c(C[N@@H+](C)Cc2cccnc2)o1 ZINC000428284662 201005631 /nfs/dbraw/zinc/00/56/31/201005631.db2.gz FVLFJEZMWHEROX-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000428675688 201034890 /nfs/dbraw/zinc/03/48/90/201034890.db2.gz MVQHCLOVBMOCIH-UHFFFAOYSA-N 1 2 229.327 2.900 20 0 BFADLO CC[C@H](F)C[N@H+](C)Cc1nc2ccccc2n1C ZINC000428736651 201039584 /nfs/dbraw/zinc/03/95/84/201039584.db2.gz ZXBWUCNNRNWHFF-NSHDSACASA-N 1 2 249.333 2.753 20 0 BFADLO CC[C@H](F)C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000428736651 201039585 /nfs/dbraw/zinc/03/95/85/201039585.db2.gz ZXBWUCNNRNWHFF-NSHDSACASA-N 1 2 249.333 2.753 20 0 BFADLO Fc1ccc(C2([NH2+]Cc3cocn3)CC2)cc1 ZINC000428851589 201044899 /nfs/dbraw/zinc/04/48/99/201044899.db2.gz SCGIGZPKCAZXFE-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO CCc1nc(C[NH+](C2CCC2)C2CCC2)no1 ZINC000429168171 201075478 /nfs/dbraw/zinc/07/54/78/201075478.db2.gz NXOSVIHGPJPHFF-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO COc1ccnc(C[N@H+](C)Cc2occc2C)c1 ZINC000429405385 201106456 /nfs/dbraw/zinc/10/64/56/201106456.db2.gz NEOTXOPBKWDUGH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccnc(C[N@@H+](C)Cc2occc2C)c1 ZINC000429405385 201106459 /nfs/dbraw/zinc/10/64/59/201106459.db2.gz NEOTXOPBKWDUGH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc[nH+]c(CN(C)Cc2occc2C)c1 ZINC000429405385 201106463 /nfs/dbraw/zinc/10/64/63/201106463.db2.gz NEOTXOPBKWDUGH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429578066 201119423 /nfs/dbraw/zinc/11/94/23/201119423.db2.gz RNWCRHUPMFHSSN-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)no1 ZINC000429578066 201119427 /nfs/dbraw/zinc/11/94/27/201119427.db2.gz RNWCRHUPMFHSSN-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO COc1ccc(N[C@H](C)[C@H]2CC2(C)C)[nH+]c1 ZINC000309871071 491157821 /nfs/dbraw/zinc/15/78/21/491157821.db2.gz QPRRWVXWPKEQDR-MWLCHTKSSA-N 1 2 220.316 2.937 20 0 BFADLO CCc1cc(N[C@H]2CC23CCCC3)nc[nH+]1 ZINC000309936893 491158521 /nfs/dbraw/zinc/15/85/21/491158521.db2.gz AHWUVYCRTLQBSO-NSHDSACASA-N 1 2 217.316 2.784 20 0 BFADLO COc1ccc(NCc2ccoc2C)[nH+]c1 ZINC000309933296 491158577 /nfs/dbraw/zinc/15/85/77/491158577.db2.gz YVLDEOXMROQPSE-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CC(C)=CC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433294997 201175676 /nfs/dbraw/zinc/17/56/76/201175676.db2.gz BTXCZLCFSUWFCS-CYBMUJFWSA-N 1 2 235.331 2.559 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)CC2(C)C)[nH+]1 ZINC000433780975 201193286 /nfs/dbraw/zinc/19/32/86/201193286.db2.gz DJJVLQYXGFDGBD-SECBINFHSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C)[C@H]2C)[nH+]1 ZINC000433783706 201193681 /nfs/dbraw/zinc/19/36/81/201193681.db2.gz RGQIKHBZCVGCNZ-VHSXEESVSA-N 1 2 244.342 2.891 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433785404 201194558 /nfs/dbraw/zinc/19/45/58/201194558.db2.gz INIHGLPRWUVZMC-IUCAKERBSA-N 1 2 232.331 2.535 20 0 BFADLO CCNc1ccc(-c2ccccc2N(C)C)c[nH+]1 ZINC000629695119 361629449 /nfs/dbraw/zinc/62/94/49/361629449.db2.gz AWWFRRKPYCUAJX-UHFFFAOYSA-N 1 2 241.338 2.668 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714678 361659496 /nfs/dbraw/zinc/65/94/96/361659496.db2.gz MEMOZRCADPVXOZ-GFCCVEGCSA-N 1 2 232.283 2.524 20 0 BFADLO CCCOc1cncc(-c2c[nH]c(C)[nH+]2)c1 ZINC000629734651 361674110 /nfs/dbraw/zinc/67/41/10/361674110.db2.gz UKWPOVDIIXRZQQ-UHFFFAOYSA-N 1 2 217.272 2.569 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000436470794 201328867 /nfs/dbraw/zinc/32/88/67/201328867.db2.gz SSDWXJVGCVOOLC-WCBMZHEXSA-N 1 2 230.315 2.867 20 0 BFADLO CCN(CC)C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630399332 364126694 /nfs/dbraw/zinc/12/66/94/364126694.db2.gz FZNXKOUKVYVOPK-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cscn1 ZINC000631754900 364665527 /nfs/dbraw/zinc/66/55/27/364665527.db2.gz TUOSYQFRETVQMP-FSDSQADBSA-N 1 2 236.262 2.745 20 0 BFADLO C[C@@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000566472586 364716549 /nfs/dbraw/zinc/71/65/49/364716549.db2.gz OSUBEBDHFASPTF-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO C[N@H+](CC(F)F)CC1Cc2ccccc2C1 ZINC000574209100 365010755 /nfs/dbraw/zinc/01/07/55/365010755.db2.gz SYRLTUPQSUVGHY-UHFFFAOYSA-N 1 2 225.282 2.598 20 0 BFADLO C[N@@H+](CC(F)F)CC1Cc2ccccc2C1 ZINC000574209100 365010760 /nfs/dbraw/zinc/01/07/60/365010760.db2.gz SYRLTUPQSUVGHY-UHFFFAOYSA-N 1 2 225.282 2.598 20 0 BFADLO c1n[nH]c([C@@H]([NH2+][C@@H]2CC23CC3)C2CCCCC2)n1 ZINC000574444367 365062016 /nfs/dbraw/zinc/06/20/16/365062016.db2.gz PWXLDKHFONUUKP-NEPJUHHUSA-N 1 2 246.358 2.568 20 0 BFADLO CC[C@@H](NC(=O)c1oc(C)cc1C)c1[nH]cc[nH+]1 ZINC000442815898 192993840 /nfs/dbraw/zinc/99/38/40/192993840.db2.gz WYMXTMJEMADTLI-SNVBAGLBSA-N 1 2 247.298 2.501 20 0 BFADLO CCc1cc(N2CCCC2(C)C)nc(C)[nH+]1 ZINC000574665296 365117133 /nfs/dbraw/zinc/11/71/33/365117133.db2.gz BEWRBDQGGSXVEK-UHFFFAOYSA-N 1 2 219.332 2.726 20 0 BFADLO CC[C@]1(C)C[N@H+](Cc2ccc(Cl)o2)CCO1 ZINC000443850474 193031213 /nfs/dbraw/zinc/03/12/13/193031213.db2.gz GDRMDNCWTPKAGE-GFCCVEGCSA-N 1 2 243.734 2.934 20 0 BFADLO CC[C@]1(C)C[N@@H+](Cc2ccc(Cl)o2)CCO1 ZINC000443850474 193031215 /nfs/dbraw/zinc/03/12/15/193031215.db2.gz GDRMDNCWTPKAGE-GFCCVEGCSA-N 1 2 243.734 2.934 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CC(C)C)[nH+]1 ZINC000443891721 193032152 /nfs/dbraw/zinc/03/21/52/193032152.db2.gz LIVHMTLPPZZOIM-VIFPVBQESA-N 1 2 232.331 2.535 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000443439250 193021105 /nfs/dbraw/zinc/02/11/05/193021105.db2.gz QLPNYEFHLOGQFF-NSHDSACASA-N 1 2 248.374 2.779 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000443439250 193021108 /nfs/dbraw/zinc/02/11/08/193021108.db2.gz QLPNYEFHLOGQFF-NSHDSACASA-N 1 2 248.374 2.779 20 0 BFADLO CCCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000575128054 365212475 /nfs/dbraw/zinc/21/24/75/365212475.db2.gz YYKWFJHBCCVWHV-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO CCOCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000575919879 365413309 /nfs/dbraw/zinc/41/33/09/365413309.db2.gz BBHHUYXRCSLZDP-UHFFFAOYSA-N 1 2 245.775 2.796 20 0 BFADLO CCOCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000575919879 365413314 /nfs/dbraw/zinc/41/33/14/365413314.db2.gz BBHHUYXRCSLZDP-UHFFFAOYSA-N 1 2 245.775 2.796 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nccn2CC(C)C)o1 ZINC000174455611 365492008 /nfs/dbraw/zinc/49/20/08/365492008.db2.gz BUAGDOGTEJWCCN-UHFFFAOYSA-N 1 2 247.342 2.730 20 0 BFADLO C[C@H]1CCCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579603261 366902624 /nfs/dbraw/zinc/90/26/24/366902624.db2.gz NETCAFDMCWKHMZ-WDEREUQCSA-N 1 2 249.358 2.587 20 0 BFADLO CCc1cnccc1C(=O)Nc1cc[nH+]cc1C ZINC000182539852 366915367 /nfs/dbraw/zinc/91/53/67/366915367.db2.gz LHKUHRRVQSZQHX-UHFFFAOYSA-N 1 2 241.294 2.600 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1c(F)cccc1F ZINC000182658455 366927808 /nfs/dbraw/zinc/92/78/08/366927808.db2.gz OQLXEWHVODICNC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1c(F)cccc1F ZINC000182658455 366927811 /nfs/dbraw/zinc/92/78/11/366927811.db2.gz OQLXEWHVODICNC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000180004316 541507088 /nfs/dbraw/zinc/50/70/88/541507088.db2.gz NQHQOWKWJSOMMU-VHSXEESVSA-N 1 2 230.315 2.525 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cccc(C)c1C)C(=O)OC ZINC000183727192 367043942 /nfs/dbraw/zinc/04/39/42/367043942.db2.gz RCQYRAMERRPZTD-OCCSQVGLSA-N 1 2 249.354 2.906 20 0 BFADLO CCc1nc(C[NH+]2CC(CC)C2)cs1 ZINC000453606775 202784727 /nfs/dbraw/zinc/78/47/27/202784727.db2.gz REFNFTFQNXQGAH-UHFFFAOYSA-N 1 2 210.346 2.547 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000579858938 367054508 /nfs/dbraw/zinc/05/45/08/367054508.db2.gz BKDBOKNSNFZPGA-DDHJBXDOSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)=CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000184315615 367072093 /nfs/dbraw/zinc/07/20/93/367072093.db2.gz PQZYNMBMNWJTQP-LBPRGKRZSA-N 1 2 241.375 2.909 20 0 BFADLO c1[nH]cc(N[C@@H]2CCC[C@H](c3cccnc3)C2)[nH+]1 ZINC000580806071 367170664 /nfs/dbraw/zinc/17/06/64/367170664.db2.gz UZAAAFMHGNJXLP-WCQYABFASA-N 1 2 242.326 2.943 20 0 BFADLO c1[nH]cc(N[C@H]2CCC[C@H](c3cccnc3)C2)[nH+]1 ZINC000580806069 367171310 /nfs/dbraw/zinc/17/13/10/367171310.db2.gz UZAAAFMHGNJXLP-AAEUAGOBSA-N 1 2 242.326 2.943 20 0 BFADLO C[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1cscn1 ZINC000580903701 367204037 /nfs/dbraw/zinc/20/40/37/367204037.db2.gz WNVJUNXKNNYXNP-UTLUCORTSA-N 1 2 248.355 2.696 20 0 BFADLO Cc1nc(N[C@@H](C)[C@H]2CC3CCC2CC3)cc[nH+]1 ZINC000382136431 367489691 /nfs/dbraw/zinc/48/96/91/367489691.db2.gz NDMTVDLDOMRLIV-KWCMIHLGSA-N 1 2 245.370 2.834 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CCc2ccccc21 ZINC000382424615 367520569 /nfs/dbraw/zinc/52/05/69/367520569.db2.gz XSOAULDRCMIHNY-LLVKDONJSA-N 1 2 211.255 2.919 20 0 BFADLO Cc1cc(NC(=O)c2cccc(F)c2C)cc[nH+]1 ZINC000622368028 370872311 /nfs/dbraw/zinc/87/23/11/370872311.db2.gz FYKAIQYRMYMXJC-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO Cc1ccc(CNc2c[nH+]cc(N(C)C)c2)o1 ZINC000630957363 368154766 /nfs/dbraw/zinc/15/47/66/368154766.db2.gz RSIWTXZWTODDIE-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1nsc(C)c1C[NH2+][C@@H](C)c1ccon1 ZINC000566415412 326041779 /nfs/dbraw/zinc/04/17/79/326041779.db2.gz FDFJKBPZGOBMCL-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccoc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630955711 368149412 /nfs/dbraw/zinc/14/94/12/368149412.db2.gz BMKNVOJIXFLPRL-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CCCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000301565926 168786310 /nfs/dbraw/zinc/78/63/10/168786310.db2.gz LYZIWQZCHXGHHC-UHFFFAOYSA-N 1 2 233.359 2.900 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1 ZINC000046774566 368450443 /nfs/dbraw/zinc/45/04/43/368450443.db2.gz YYVRKTLNKVTGRP-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C)cc1 ZINC000046774566 368450453 /nfs/dbraw/zinc/45/04/53/368450453.db2.gz YYVRKTLNKVTGRP-LLVKDONJSA-N 1 2 237.368 2.629 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nccn1C ZINC000057620366 368494777 /nfs/dbraw/zinc/49/47/77/368494777.db2.gz GPSPVYYRPSDYJU-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nccn1C ZINC000057620366 368494786 /nfs/dbraw/zinc/49/47/86/368494786.db2.gz GPSPVYYRPSDYJU-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H]1COCC[N@@H+]1CCc1ccccc1Cl ZINC000058907362 368524701 /nfs/dbraw/zinc/52/47/01/368524701.db2.gz MWLSZUHQFDLVBR-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H]1COCC[N@H+]1CCc1ccccc1Cl ZINC000058907362 368524706 /nfs/dbraw/zinc/52/47/06/368524706.db2.gz MWLSZUHQFDLVBR-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO Cc1scc(C[NH2+]Cc2csnn2)c1C ZINC000399764555 368563449 /nfs/dbraw/zinc/56/34/49/368563449.db2.gz HKYADIXPPFSVOB-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cn1cc[nH+]c1CSc1ccc(F)cc1F ZINC000064653120 368611811 /nfs/dbraw/zinc/61/18/11/368611811.db2.gz CGVADCKRZJYFLL-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@H](C)C2CC2)no1 ZINC000064931741 368615439 /nfs/dbraw/zinc/61/54/39/368615439.db2.gz SAAGWLLRSBFING-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@H](C)C2CC2)no1 ZINC000064931741 368615445 /nfs/dbraw/zinc/61/54/45/368615445.db2.gz SAAGWLLRSBFING-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000072578301 368774566 /nfs/dbraw/zinc/77/45/66/368774566.db2.gz CPPUZWDDLLALBA-CYBMUJFWSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000072578301 368774569 /nfs/dbraw/zinc/77/45/69/368774569.db2.gz CPPUZWDDLLALBA-CYBMUJFWSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1noc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000073557366 368809439 /nfs/dbraw/zinc/80/94/39/368809439.db2.gz JQXXWCZVFZHRDC-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO c1cc(CSc2[nH+]cc3ccccn32)no1 ZINC000074014921 368825047 /nfs/dbraw/zinc/82/50/47/368825047.db2.gz UMJVQMWJQOSUNI-UHFFFAOYSA-N 1 2 231.280 2.615 20 0 BFADLO Cc1cc(NC(=O)c2cccc(Cl)n2)cc[nH+]1 ZINC000111325691 368856768 /nfs/dbraw/zinc/85/67/68/368856768.db2.gz SDYIDEXACJVPNM-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2CCC2(C)C)c[nH+]1 ZINC000616116844 368961322 /nfs/dbraw/zinc/96/13/22/368961322.db2.gz WJTVZDBOFZUWQB-CYBMUJFWSA-N 1 2 246.354 2.751 20 0 BFADLO COc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1C ZINC000623646010 368965994 /nfs/dbraw/zinc/96/59/94/368965994.db2.gz YIGCQXIEYMZGRM-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO Cc1cccn2c(NC(=O)[C@H](C)C(C)C)c[nH+]c12 ZINC000619013777 369257006 /nfs/dbraw/zinc/25/70/06/369257006.db2.gz YRHLLHJISSZSSE-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO CC[C@H](C)N(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459115761 203234527 /nfs/dbraw/zinc/23/45/27/203234527.db2.gz JEABFNXRLKOAKN-LBPRGKRZSA-N 1 2 249.358 2.638 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cnc(C2CC2)nc1 ZINC000459333539 203258172 /nfs/dbraw/zinc/25/81/72/203258172.db2.gz ZANUBMLBBHVCCF-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cnc(C2CC2)nc1 ZINC000459333539 203258175 /nfs/dbraw/zinc/25/81/75/203258175.db2.gz ZANUBMLBBHVCCF-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO c1cc(NCCCC2CC2)nc(C2CC2)[nH+]1 ZINC000123116617 369385141 /nfs/dbraw/zinc/38/51/41/369385141.db2.gz XWCLRLOOKIGXAN-UHFFFAOYSA-N 1 2 217.316 2.956 20 0 BFADLO COC1(C)C[NH+](Cc2cc3c(cccc3F)[nH]2)C1 ZINC000459593707 203308767 /nfs/dbraw/zinc/30/87/67/203308767.db2.gz VZGKSKPKDUHEID-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CCOC1C[NH+](Cc2coc3ccccc23)C1 ZINC000459602746 203314787 /nfs/dbraw/zinc/31/47/87/203314787.db2.gz FMPNTSUVYYOTRR-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO CCOC1(C)C[NH+](Cc2cc(C)ccc2OC)C1 ZINC000459616513 203316236 /nfs/dbraw/zinc/31/62/36/203316236.db2.gz GMKLLKJEPLVEMP-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO C[C@H]1CN(c2cc3ccccc3c[nH+]2)C[C@H](C)O1 ZINC000631030715 370963785 /nfs/dbraw/zinc/96/37/85/370963785.db2.gz XYYLEBDONQJJKA-RYUDHWBXSA-N 1 2 242.322 2.848 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H](C)C2CCCCC2)c[nH+]1 ZINC000620372900 369857064 /nfs/dbraw/zinc/85/70/64/369857064.db2.gz ZPPWVGTXDJCCEJ-SNVBAGLBSA-N 1 2 249.358 2.664 20 0 BFADLO CCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCCC1 ZINC000620603826 369951650 /nfs/dbraw/zinc/95/16/50/369951650.db2.gz NQBYFZVKRFSSSN-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO C[C@H](NC(=O)C1(C)CCCCC1)c1[nH+]ccn1C ZINC000620605449 369954711 /nfs/dbraw/zinc/95/47/11/369954711.db2.gz DFWRUAAUDYJIKA-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO Cc1cn2ccc(NC(=O)C3=CCCC3)cc2[nH+]1 ZINC000620650405 369972336 /nfs/dbraw/zinc/97/23/36/369972336.db2.gz VWZQSBVXJPGTGT-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO CCC1(C(=O)Nc2ccn3cc(C)[nH+]c3c2)CC1 ZINC000620650192 369972480 /nfs/dbraw/zinc/97/24/80/369972480.db2.gz OSXFDXNJCWZWAZ-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO C[C@@H](NC(=O)CCC1CCCC1)c1[nH+]ccn1C ZINC000620591614 369944564 /nfs/dbraw/zinc/94/45/64/369944564.db2.gz CPBCNVVDORVRIL-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO FC(F)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831554 370172073 /nfs/dbraw/zinc/17/20/73/370172073.db2.gz QDYHEZVLNGSPIP-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831554 370172075 /nfs/dbraw/zinc/17/20/75/370172075.db2.gz QDYHEZVLNGSPIP-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO CCc1nc([C@@H](C)[NH2+]Cc2ccccn2)cs1 ZINC000111406616 370141038 /nfs/dbraw/zinc/14/10/38/370141038.db2.gz BTILRRAGZYANIA-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621258255 370190686 /nfs/dbraw/zinc/19/06/86/370190686.db2.gz DCVNRBURACPVSD-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1cncc(Cl)c1 ZINC000621258255 370190690 /nfs/dbraw/zinc/19/06/90/370190690.db2.gz DCVNRBURACPVSD-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1nnc(C)o1 ZINC000621277030 370208042 /nfs/dbraw/zinc/20/80/42/370208042.db2.gz HZTZRTIGJKRXEZ-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc(C)o1 ZINC000621277030 370208047 /nfs/dbraw/zinc/20/80/47/370208047.db2.gz HZTZRTIGJKRXEZ-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2ccn[nH]2)s1 ZINC000621334399 370268405 /nfs/dbraw/zinc/26/84/05/370268405.db2.gz DSKZNTVYZHDAGF-UHFFFAOYSA-N 1 2 235.356 2.714 20 0 BFADLO CCOc1cncc(CNc2c[nH+]cc(C)c2)c1 ZINC000621342351 370274623 /nfs/dbraw/zinc/27/46/23/370274623.db2.gz UAUVESPJNXXPDN-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO FCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621402099 370340624 /nfs/dbraw/zinc/34/06/24/370340624.db2.gz SRKZCUDKMZHZRI-VIFPVBQESA-N 1 2 209.255 2.760 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccon1 ZINC000077318452 370410048 /nfs/dbraw/zinc/41/00/48/370410048.db2.gz QJBPOADXYGDCRZ-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccon1 ZINC000077318452 370410050 /nfs/dbraw/zinc/41/00/50/370410050.db2.gz QJBPOADXYGDCRZ-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO Cc1nccnc1C[N@H+](C)Cc1ccccc1F ZINC000621710026 370455779 /nfs/dbraw/zinc/45/57/79/370455779.db2.gz OVQKXMCSOGGORR-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nccnc1C[N@@H+](C)Cc1ccccc1F ZINC000621710026 370455784 /nfs/dbraw/zinc/45/57/84/370455784.db2.gz OVQKXMCSOGGORR-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nccnc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621716495 370464148 /nfs/dbraw/zinc/46/41/48/370464148.db2.gz CCBGDRMIICCYAM-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1nccnc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000621716495 370464154 /nfs/dbraw/zinc/46/41/54/370464154.db2.gz CCBGDRMIICCYAM-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO CCC[C@@H](C[NH2+][C@H](C)c1cn[nH]c1C)OCC ZINC000624049660 371274501 /nfs/dbraw/zinc/27/45/01/371274501.db2.gz NAJGDQBXDCFEPV-PWSUYJOCSA-N 1 2 239.363 2.574 20 0 BFADLO CCC[C@H](C[NH2+][C@H](C)c1cn[nH]c1C)OCC ZINC000624049661 371274522 /nfs/dbraw/zinc/27/45/22/371274522.db2.gz NAJGDQBXDCFEPV-ZYHUDNBSSA-N 1 2 239.363 2.574 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1cncs1 ZINC000624148139 371344594 /nfs/dbraw/zinc/34/45/94/371344594.db2.gz WKHSZMPNZNBPLU-SSDOTTSWSA-N 1 2 220.288 2.839 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000624148364 371344769 /nfs/dbraw/zinc/34/47/69/371344769.db2.gz BPYFMPDVYIPFAT-VIFPVBQESA-N 1 2 244.285 2.786 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(Cl)o2)s1 ZINC000164835491 326417775 /nfs/dbraw/zinc/41/77/75/326417775.db2.gz KRLZHYWLDZEBLN-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CC(C)(O)CCNc1cc2ccccc2c[nH+]1 ZINC000631213387 372237325 /nfs/dbraw/zinc/23/73/25/372237325.db2.gz MZUOOLIKXGSOFR-UHFFFAOYSA-N 1 2 230.311 2.808 20 0 BFADLO Cc1nc(N[C@@H]2CCCC23CC3)cc[nH+]1 ZINC000631417714 372349810 /nfs/dbraw/zinc/34/98/10/372349810.db2.gz HMDTUYYRIJXTML-SNVBAGLBSA-N 1 2 203.289 2.530 20 0 BFADLO Cc1ncc([C@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000631472776 372384168 /nfs/dbraw/zinc/38/41/68/372384168.db2.gz TWOROSYDOZRBCG-QMMMGPOBSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1cc(N2CCC(C)(F)CC2)nc(C2CC2)[nH+]1 ZINC000631516346 372403656 /nfs/dbraw/zinc/40/36/56/372403656.db2.gz OMDIHYPWISPHNY-UHFFFAOYSA-N 1 2 249.333 2.991 20 0 BFADLO FC(F)C1([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631626488 372468181 /nfs/dbraw/zinc/46/81/81/372468181.db2.gz YOVHVQDZPZZAFL-NSHDSACASA-N 1 2 238.281 2.846 20 0 BFADLO CC(C)c1nc(NCc2cccc(O)c2)cc[nH+]1 ZINC000171857576 372798270 /nfs/dbraw/zinc/79/82/70/372798270.db2.gz WFHCXTOQZXKXEV-UHFFFAOYSA-N 1 2 243.310 2.918 20 0 BFADLO CC[C@@H](C)Cc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000632251042 372834148 /nfs/dbraw/zinc/83/41/48/372834148.db2.gz WKZURXXFDWDVDP-MNOVXSKESA-N 1 2 248.330 2.658 20 0 BFADLO O=C(C[C@H]1C=CCC1)Nc1ccn2cc[nH+]c2c1 ZINC000280707702 182025461 /nfs/dbraw/zinc/02/54/61/182025461.db2.gz GDXDBTLQGKWECA-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2nnsc2Cl)CC1 ZINC000068830101 373070815 /nfs/dbraw/zinc/07/08/15/373070815.db2.gz ANXATFSBJYUPBD-MRVPVSSYSA-N 1 2 245.779 2.814 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2nnsc2Cl)CC1 ZINC000068830101 373070828 /nfs/dbraw/zinc/07/08/28/373070828.db2.gz ANXATFSBJYUPBD-MRVPVSSYSA-N 1 2 245.779 2.814 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(=O)OC ZINC000182922082 205678078 /nfs/dbraw/zinc/67/80/78/205678078.db2.gz RSVUCNRHYQQMFW-OCCSQVGLSA-N 1 2 249.354 2.906 20 0 BFADLO CCC[C@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184708100 205706800 /nfs/dbraw/zinc/70/68/00/205706800.db2.gz KGXPHRGOERFKRM-LBPRGKRZSA-N 1 2 243.297 2.745 20 0 BFADLO CC(C)Oc1ncccc1C[NH2+]Cc1ccco1 ZINC000042337513 374262704 /nfs/dbraw/zinc/26/27/04/374262704.db2.gz OYEMZLCORCZTAC-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO COC(=O)CC1(C[N@H+](C)c2cccc(C)c2)CC1 ZINC000440701645 206079687 /nfs/dbraw/zinc/07/96/87/206079687.db2.gz AWKGDRDCQKWENG-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO COC(=O)CC1(C[N@@H+](C)c2cccc(C)c2)CC1 ZINC000440701645 206079689 /nfs/dbraw/zinc/07/96/89/206079689.db2.gz AWKGDRDCQKWENG-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000194747489 206108421 /nfs/dbraw/zinc/10/84/21/206108421.db2.gz HTDWHLFPJJVMOC-GXTWGEPZSA-N 1 2 249.354 2.925 20 0 BFADLO CCC[N@H+](CCOCC(F)(F)F)CC(F)F ZINC000194885492 206112658 /nfs/dbraw/zinc/11/26/58/206112658.db2.gz FZTIQBAQGXAAAC-UHFFFAOYSA-N 1 2 249.223 2.542 20 0 BFADLO CCC[N@@H+](CCOCC(F)(F)F)CC(F)F ZINC000194885492 206112661 /nfs/dbraw/zinc/11/26/61/206112661.db2.gz FZTIQBAQGXAAAC-UHFFFAOYSA-N 1 2 249.223 2.542 20 0 BFADLO COC1(C)C[NH+](CCc2cccc(Cl)c2)C1 ZINC000459579087 206135268 /nfs/dbraw/zinc/13/52/68/206135268.db2.gz IRNOTVIQUMLLBS-UHFFFAOYSA-N 1 2 239.746 2.603 20 0 BFADLO CCCCOc1ccc(C[NH+]2CC(OC)C2)cc1 ZINC000459580890 206136356 /nfs/dbraw/zinc/13/63/56/206136356.db2.gz LNYXYTQQBXVIJK-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1CC=CCC1 ZINC000280837653 182385406 /nfs/dbraw/zinc/38/54/06/182385406.db2.gz UZZYJAIYICYEJL-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)c1cccs1 ZINC000355306458 182385712 /nfs/dbraw/zinc/38/57/12/182385712.db2.gz JIAIXBQBEVUFET-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO OCCCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000228725598 183047825 /nfs/dbraw/zinc/04/78/25/183047825.db2.gz PHYWPLFRLHAUJF-UHFFFAOYSA-N 1 2 248.248 2.675 20 0 BFADLO OCC[C@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000267554386 183097009 /nfs/dbraw/zinc/09/70/09/183097009.db2.gz YUSVXFMRZOYNDF-ZDUSSCGKSA-N 1 2 234.343 2.825 20 0 BFADLO CCCC[C@H](CCC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000339225876 169001319 /nfs/dbraw/zinc/00/13/19/169001319.db2.gz PWBRCXHYWPBNAE-NSHDSACASA-N 1 2 237.347 2.807 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000371308119 169026460 /nfs/dbraw/zinc/02/64/60/169026460.db2.gz LGBQZTJHTHJTHE-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@@H](C3CC3)C2)no1 ZINC000371308119 169026462 /nfs/dbraw/zinc/02/64/62/169026462.db2.gz LGBQZTJHTHJTHE-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](O)c1ccccc1 ZINC000279723995 169108615 /nfs/dbraw/zinc/10/86/15/169108615.db2.gz MTYDGCWZFWNKKH-GFCCVEGCSA-N 1 2 243.297 2.697 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](O)c1ccccc1 ZINC000279723995 169108618 /nfs/dbraw/zinc/10/86/18/169108618.db2.gz MTYDGCWZFWNKKH-GFCCVEGCSA-N 1 2 243.297 2.697 20 0 BFADLO CCCN(CC)c1[nH+]c2cccc(F)c2n1C ZINC000357499384 169133784 /nfs/dbraw/zinc/13/37/84/169133784.db2.gz DQUBGKODLVIYSC-UHFFFAOYSA-N 1 2 235.306 2.949 20 0 BFADLO CCCN(CCC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057911598 169145652 /nfs/dbraw/zinc/14/56/52/169145652.db2.gz NMKZMWCRSGSYMC-UHFFFAOYSA-N 1 2 245.326 2.597 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000109830581 183325601 /nfs/dbraw/zinc/32/56/01/183325601.db2.gz JABBAPKPEHTKKS-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000109830581 183325603 /nfs/dbraw/zinc/32/56/03/183325603.db2.gz JABBAPKPEHTKKS-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1cc(N[C@@H]2C[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000309390667 183359244 /nfs/dbraw/zinc/35/92/44/183359244.db2.gz UIYFUKDLAGPWLI-GHMZBOCLSA-N 1 2 215.300 2.564 20 0 BFADLO c1cc(CNc2cc[nH+]c(C3CC3)n2)co1 ZINC000171863399 183357096 /nfs/dbraw/zinc/35/70/96/183357096.db2.gz QMVSEPRUTVYZRC-UHFFFAOYSA-N 1 2 215.256 2.559 20 0 BFADLO c1cc(NCC[C@H]2CCCCO2)nc(C2CC2)[nH+]1 ZINC000272405900 183357393 /nfs/dbraw/zinc/35/73/93/183357393.db2.gz KRVCRJLRCATUOH-GFCCVEGCSA-N 1 2 247.342 2.725 20 0 BFADLO c1cc(N[C@H]2C[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000309390681 183358007 /nfs/dbraw/zinc/35/80/07/183358007.db2.gz UIYFUKDLAGPWLI-QWRGUYRKSA-N 1 2 215.300 2.564 20 0 BFADLO c1cn(C2CCCC2)nc1COc1cc[nH+]cc1 ZINC000292497384 183359074 /nfs/dbraw/zinc/35/90/74/183359074.db2.gz SFCDLTXWRNKOMG-UHFFFAOYSA-N 1 2 243.310 2.972 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000154078221 183364215 /nfs/dbraw/zinc/36/42/15/183364215.db2.gz UEZSEASMMBJWGN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000154078221 183364217 /nfs/dbraw/zinc/36/42/17/183364217.db2.gz UEZSEASMMBJWGN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc([NH2+]C2CCSCC2)cc2c1OCC2 ZINC000037103959 183368945 /nfs/dbraw/zinc/36/89/45/183368945.db2.gz LZFKTJOMROFGSG-UHFFFAOYSA-N 1 2 235.352 2.929 20 0 BFADLO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cscn1 ZINC000040504121 183372843 /nfs/dbraw/zinc/37/28/43/183372843.db2.gz WSBQWLFLIPMBFT-LLVKDONJSA-N 1 2 234.324 2.903 20 0 BFADLO c1cn(Cc2ccc(-c3ccccc3)nc2)c[nH+]1 ZINC000029131071 183379628 /nfs/dbraw/zinc/37/96/28/183379628.db2.gz LWADKIHYDIYKDX-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO c1cc(C[N@H+](Cc2ccccc2)C2CC2)no1 ZINC000157519152 183395938 /nfs/dbraw/zinc/39/59/38/183395938.db2.gz XVWXYMLFWWOZRB-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO c1cc(C[N@@H+](Cc2ccccc2)C2CC2)no1 ZINC000157519152 183395941 /nfs/dbraw/zinc/39/59/41/183395941.db2.gz XVWXYMLFWWOZRB-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO c1ccc(CN(c2cccc[nH+]2)C2CC2)nc1 ZINC000178768097 183396363 /nfs/dbraw/zinc/39/63/63/183396363.db2.gz MINUMNDRCZUZDG-UHFFFAOYSA-N 1 2 225.295 2.646 20 0 BFADLO CCC[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000037513310 169273901 /nfs/dbraw/zinc/27/39/01/169273901.db2.gz BKMYLVPCBXXOAZ-CYBMUJFWSA-N 1 2 235.327 2.517 20 0 BFADLO c1nc(C[NH2+][C@@H]2CSc3ccccc32)co1 ZINC000309692092 183454059 /nfs/dbraw/zinc/45/40/59/183454059.db2.gz QCSFQCOGVXNJCJ-LLVKDONJSA-N 1 2 232.308 2.611 20 0 BFADLO CCCOc1ccc(CNc2cccc[nH+]2)cn1 ZINC000264586589 169319220 /nfs/dbraw/zinc/31/92/20/169319220.db2.gz KRDMZZLUXGZRCE-UHFFFAOYSA-N 1 2 243.310 2.878 20 0 BFADLO CCCOc1cccc(NCc2c[nH+]cn2C)c1 ZINC000090165683 169325817 /nfs/dbraw/zinc/32/58/17/169325817.db2.gz JDVGRTFCRYVEFJ-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCCOc1cccc(NCc2[nH+]ccn2C)c1 ZINC000051922192 169326230 /nfs/dbraw/zinc/32/62/30/169326230.db2.gz DSNXVMYMCFEXQQ-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357133038 169348464 /nfs/dbraw/zinc/34/84/64/169348464.db2.gz MQUCOLOFORWCGD-GHMZBOCLSA-N 1 2 235.331 2.509 20 0 BFADLO CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OC ZINC000193099420 169387257 /nfs/dbraw/zinc/38/72/57/169387257.db2.gz ITLYEWCZFAQNPT-OCCSQVGLSA-N 1 2 249.354 2.549 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000037952736 169511527 /nfs/dbraw/zinc/51/15/27/169511527.db2.gz YTSSOMVSDNQZBG-ZDUSSCGKSA-N 1 2 235.327 2.508 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000066696284 383880458 /nfs/dbraw/zinc/88/04/58/383880458.db2.gz JAQZNUSLUXYXKU-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000066696284 383880466 /nfs/dbraw/zinc/88/04/66/383880466.db2.gz JAQZNUSLUXYXKU-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C2([NH2+][C@@H]3C=CCCC3)CCCC2)no1 ZINC000066496786 383867561 /nfs/dbraw/zinc/86/75/61/383867561.db2.gz CGJKQTVDBJWRQX-GFCCVEGCSA-N 1 2 247.342 2.846 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075395 383934507 /nfs/dbraw/zinc/93/45/07/383934507.db2.gz CUUQTMFHMICQKR-HNNXBMFYSA-N 1 2 241.338 2.959 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccccc1 ZINC000036901398 383917470 /nfs/dbraw/zinc/91/74/70/383917470.db2.gz MXIXIGQACZHJQZ-SNVBAGLBSA-N 1 2 215.300 2.569 20 0 BFADLO c1ccc2[nH+]c(NC3CCOCC3)ccc2c1 ZINC000036319946 383896558 /nfs/dbraw/zinc/89/65/58/383896558.db2.gz XYCSKTYGQICQDE-UHFFFAOYSA-N 1 2 228.295 2.826 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)C(F)F ZINC000449362602 383990018 /nfs/dbraw/zinc/99/00/18/383990018.db2.gz NMPYJSZYOQHXMA-LLVKDONJSA-N 1 2 247.260 2.968 20 0 BFADLO CC[C@@H](O)[C@H](CC)Nc1[nH+]c2ccccc2n1C ZINC000313176124 383992985 /nfs/dbraw/zinc/99/29/85/383992985.db2.gz ZEZIRBPERAWCGQ-GXFFZTMASA-N 1 2 247.342 2.535 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(Cl)s1 ZINC000070600114 383937542 /nfs/dbraw/zinc/93/75/42/383937542.db2.gz BHPOGNDHHFKHAE-UHFFFAOYSA-N 1 2 211.664 2.756 20 0 BFADLO Cc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC000089201441 383943868 /nfs/dbraw/zinc/94/38/68/383943868.db2.gz MKPFTHYLGIFZQN-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000037996427 384052538 /nfs/dbraw/zinc/05/25/38/384052538.db2.gz KJFGSMMYYLHNNP-LLVKDONJSA-N 1 2 229.327 2.877 20 0 BFADLO CSC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000278613049 384035677 /nfs/dbraw/zinc/03/56/77/384035677.db2.gz FXTFZHPPYXAFNM-UHFFFAOYSA-N 1 2 235.356 2.662 20 0 BFADLO CC(C)Oc1ccccc1C[NH2+]C(CF)CF ZINC000449372476 384041833 /nfs/dbraw/zinc/04/18/33/384041833.db2.gz IHUNHFFKDDWLQI-UHFFFAOYSA-N 1 2 243.297 2.871 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2csnn2)s1 ZINC000398312744 384101165 /nfs/dbraw/zinc/10/11/65/384101165.db2.gz CIAQBRHCKXGTHI-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC(=O)c1ccc(C)cc1OCc1c[nH+]cn1C ZINC000091278523 384111376 /nfs/dbraw/zinc/11/13/76/384111376.db2.gz YCQCPCRQSKCJQB-UHFFFAOYSA-N 1 2 244.294 2.510 20 0 BFADLO CC[C@H](NC(=O)CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000140567012 384148731 /nfs/dbraw/zinc/14/87/31/384148731.db2.gz CMGHINMDUNHFIA-LBPRGKRZSA-N 1 2 249.358 2.947 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000449388907 384148830 /nfs/dbraw/zinc/14/88/30/384148830.db2.gz QTGYFWTUHISQCI-LLVKDONJSA-N 1 2 213.683 2.884 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000449388907 384148837 /nfs/dbraw/zinc/14/88/37/384148837.db2.gz QTGYFWTUHISQCI-LLVKDONJSA-N 1 2 213.683 2.884 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc[nH]n1 ZINC000091898301 384154420 /nfs/dbraw/zinc/15/44/20/384154420.db2.gz CGZUUEJKBABYBH-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000091898301 384154423 /nfs/dbraw/zinc/15/44/23/384154423.db2.gz CGZUUEJKBABYBH-LBPRGKRZSA-N 1 2 247.367 2.981 20 0 BFADLO FC(F)(F)CC[N@@H+](Cc1cnc[nH]1)CC1CC1 ZINC000091901631 384155297 /nfs/dbraw/zinc/15/52/97/384155297.db2.gz HTOZEWANSCAIMS-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)CC[N@H+](Cc1cnc[nH]1)CC1CC1 ZINC000091901631 384155299 /nfs/dbraw/zinc/15/52/99/384155299.db2.gz HTOZEWANSCAIMS-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO CCCC(=CC(=O)NC1=[NH+]CCS1)CCC ZINC000092246908 384172255 /nfs/dbraw/zinc/17/22/55/384172255.db2.gz NYRUUGISBVBHQA-UHFFFAOYSA-N 1 2 240.372 2.732 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1C ZINC000041014560 384173185 /nfs/dbraw/zinc/17/31/85/384173185.db2.gz GOVCIVUUDUKYOV-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000092162179 384165054 /nfs/dbraw/zinc/16/50/54/384165054.db2.gz QHHZZKMHPXQRBM-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000092162179 384165060 /nfs/dbraw/zinc/16/50/60/384165060.db2.gz QHHZZKMHPXQRBM-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO CC(C)Cc1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000449396555 384170891 /nfs/dbraw/zinc/17/08/91/384170891.db2.gz SFRNXSHPNMHMSJ-JTQLQIEISA-N 1 2 242.363 2.885 20 0 BFADLO CC(C)Cc1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000449396555 384170898 /nfs/dbraw/zinc/17/08/98/384170898.db2.gz SFRNXSHPNMHMSJ-JTQLQIEISA-N 1 2 242.363 2.885 20 0 BFADLO C[C@H]1Oc2ccc([NH2+]CC(C)(C)C)cc2NC1=O ZINC000041120373 384181098 /nfs/dbraw/zinc/18/10/98/384181098.db2.gz KNIRFAWCNULDRZ-SECBINFHSA-N 1 2 248.326 2.864 20 0 BFADLO CO[C@H](CC(C)C)C[N@@H+]1CCC[C@H]1C(F)F ZINC000642699314 384202788 /nfs/dbraw/zinc/20/27/88/384202788.db2.gz VTDKXQQPJNZVTJ-MNOVXSKESA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@H](CC(C)C)C[N@H+]1CCC[C@H]1C(F)F ZINC000642699314 384202792 /nfs/dbraw/zinc/20/27/92/384202792.db2.gz VTDKXQQPJNZVTJ-MNOVXSKESA-N 1 2 235.318 2.777 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCCc2ccccc2C1 ZINC000093085223 384210150 /nfs/dbraw/zinc/21/01/50/384210150.db2.gz QPQVJKZXTHYBTP-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCCc2ccccc2C1 ZINC000093085223 384210154 /nfs/dbraw/zinc/21/01/54/384210154.db2.gz QPQVJKZXTHYBTP-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072361376 384214878 /nfs/dbraw/zinc/21/48/78/384214878.db2.gz QMFIHAGKQUPYHL-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000072361376 384214885 /nfs/dbraw/zinc/21/48/85/384214885.db2.gz QMFIHAGKQUPYHL-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO CCc1nc([C@@H](C)[N@@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115263 384228779 /nfs/dbraw/zinc/22/87/79/384228779.db2.gz MRXVUTSSFAUWBY-LLVKDONJSA-N 1 2 248.374 2.694 20 0 BFADLO CCc1nc([C@@H](C)[N@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115263 384228781 /nfs/dbraw/zinc/22/87/81/384228781.db2.gz MRXVUTSSFAUWBY-LLVKDONJSA-N 1 2 248.374 2.694 20 0 BFADLO Cc1nc(N2CCC(OC(C)(C)C)CC2)cc[nH+]1 ZINC000133174231 384277037 /nfs/dbraw/zinc/27/70/37/384277037.db2.gz FRZFEUGKQQADET-UHFFFAOYSA-N 1 2 249.358 2.569 20 0 BFADLO CC[C@](C)(CNc1ccc(C)[nH+]c1C)OC ZINC000319461277 384251083 /nfs/dbraw/zinc/25/10/83/384251083.db2.gz PAXOTDIAMCCMAH-CYBMUJFWSA-N 1 2 222.332 2.925 20 0 BFADLO CCC[C@@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000133467636 384264412 /nfs/dbraw/zinc/26/44/12/384264412.db2.gz XDKALOKNBWRNRN-LLVKDONJSA-N 1 2 221.348 2.996 20 0 BFADLO Cc1ccc(C)c(OCc2c[nH+]cn2C)c1 ZINC000094598098 384306911 /nfs/dbraw/zinc/30/69/11/384306911.db2.gz TWCXHTWVXKUOPE-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO C[N@H+](Cc1csc(Cl)n1)C1CCC1 ZINC000295078004 384286523 /nfs/dbraw/zinc/28/65/23/384286523.db2.gz QXZVDVWBYMPTRK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO C[N@@H+](Cc1csc(Cl)n1)C1CCC1 ZINC000295078004 384286529 /nfs/dbraw/zinc/28/65/29/384286529.db2.gz QXZVDVWBYMPTRK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO Cc1cc(C)c(C[NH2+]CC(F)F)cc1C ZINC000147322433 384288514 /nfs/dbraw/zinc/28/85/14/384288514.db2.gz DUQCMKHMRHQBTR-UHFFFAOYSA-N 1 2 213.271 2.967 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(C)=C(C)C1 ZINC000569589706 384290503 /nfs/dbraw/zinc/29/05/03/384290503.db2.gz AUNISRGIEUAFLM-UHFFFAOYSA-N 1 2 217.316 2.640 20 0 BFADLO CC[C@@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000119732160 384298434 /nfs/dbraw/zinc/29/84/34/384298434.db2.gz LZXMZEQFHLVGTQ-JTQLQIEISA-N 1 2 248.301 2.865 20 0 BFADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccccn1 ZINC000120271372 384344934 /nfs/dbraw/zinc/34/49/34/384344934.db2.gz KHIBYXAIVXEXHM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccccn1 ZINC000120271372 384344936 /nfs/dbraw/zinc/34/49/36/384344936.db2.gz KHIBYXAIVXEXHM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CCCC[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000120404225 384348579 /nfs/dbraw/zinc/34/85/79/384348579.db2.gz SWGJDBWYPDBYPI-CYBMUJFWSA-N 1 2 235.327 2.599 20 0 BFADLO CCN(CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000120643754 384366922 /nfs/dbraw/zinc/36/69/22/384366922.db2.gz ZIRPWTWSMHHYNV-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO CCC[C@@H]1C[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121235507 384403130 /nfs/dbraw/zinc/40/31/30/384403130.db2.gz SEXRRNHSEFWPPD-ZYHUDNBSSA-N 1 2 233.315 2.700 20 0 BFADLO CC[N@H+](Cc1cc(Cl)ccc1F)C1COC1 ZINC000449427699 384378351 /nfs/dbraw/zinc/37/83/51/384378351.db2.gz SUPUBWHZYZRWKL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@@H+](Cc1cc(Cl)ccc1F)C1COC1 ZINC000449427699 384378357 /nfs/dbraw/zinc/37/83/57/384378357.db2.gz SUPUBWHZYZRWKL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1nc(C[NH2+][C@H](c2ccccc2)C(C)C)no1 ZINC000120894608 384387144 /nfs/dbraw/zinc/38/71/44/384387144.db2.gz CWKSDBLQEVKTIZ-AWEZNQCLSA-N 1 2 245.326 2.865 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc(F)c1F ZINC000121898438 384444483 /nfs/dbraw/zinc/44/44/83/384444483.db2.gz ZJWFOUSZXOEGOC-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H](NCc1[nH]cc[nH+]1)c1cccc(F)c1F ZINC000121898438 384444488 /nfs/dbraw/zinc/44/44/88/384444488.db2.gz ZJWFOUSZXOEGOC-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182259 384444875 /nfs/dbraw/zinc/44/48/75/384444875.db2.gz DJAREOSBFGBSHR-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182259 384444885 /nfs/dbraw/zinc/44/48/85/384444885.db2.gz DJAREOSBFGBSHR-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3F)no1 ZINC000147638874 384453398 /nfs/dbraw/zinc/45/33/98/384453398.db2.gz IRQOVDINMNBOCU-AWEZNQCLSA-N 1 2 246.285 2.899 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cscn1 ZINC000161142127 384467286 /nfs/dbraw/zinc/46/72/86/384467286.db2.gz FPPTVRVJGUBIAV-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccncc2)C2CC2)no1 ZINC000122385532 384480273 /nfs/dbraw/zinc/48/02/73/384480273.db2.gz SRXGYTQPXRNQRU-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccncc2)C2CC2)no1 ZINC000122385532 384480281 /nfs/dbraw/zinc/48/02/81/384480281.db2.gz SRXGYTQPXRNQRU-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc(Cl)c1 ZINC000085167693 384507829 /nfs/dbraw/zinc/50/78/29/384507829.db2.gz WWMUCTFPFFGQAW-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO C[C@H](CCO)CNc1ccc2ccccc2[nH+]1 ZINC000097442912 384522658 /nfs/dbraw/zinc/52/26/58/384522658.db2.gz PFEVOPAWULVKJM-LLVKDONJSA-N 1 2 230.311 2.665 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CC=C(C)C)[C@@H](C)CC ZINC000183591441 384549465 /nfs/dbraw/zinc/54/94/65/384549465.db2.gz POIAYTTZDFFHNY-NWDGAFQWSA-N 1 2 227.348 2.520 20 0 BFADLO FC(F)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000147438402 384559300 /nfs/dbraw/zinc/55/93/00/384559300.db2.gz IRQNBMJUULZNJP-UHFFFAOYSA-N 1 2 211.255 2.919 20 0 BFADLO CCOc1cc(C)ccc1NCc1[nH]cc[nH+]1 ZINC000049715548 384561297 /nfs/dbraw/zinc/56/12/97/384561297.db2.gz UUDNNAGZJSILEX-UHFFFAOYSA-N 1 2 231.299 2.729 20 0 BFADLO Cc1ccc(N[C@@H](C)CCn2cccn2)c(C)[nH+]1 ZINC000183938528 384540822 /nfs/dbraw/zinc/54/08/22/384540822.db2.gz ZSXCCBYNTDDNGK-LBPRGKRZSA-N 1 2 244.342 2.786 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+]Cc1cscn1 ZINC000309795769 384616895 /nfs/dbraw/zinc/61/68/95/384616895.db2.gz QCQQHQOYGVMEDD-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCOc1ccccc1C[N@H+](C)Cc1ccon1 ZINC000172654023 384617309 /nfs/dbraw/zinc/61/73/09/384617309.db2.gz PBIVVYDDHMFKOF-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccccc1C[N@@H+](C)Cc1ccon1 ZINC000172654023 384617315 /nfs/dbraw/zinc/61/73/15/384617315.db2.gz PBIVVYDDHMFKOF-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@H]2CCCOC2)c1 ZINC000309801124 384623681 /nfs/dbraw/zinc/62/36/81/384623681.db2.gz REYPLLPQOSDZQD-RYUDHWBXSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccnc2)oc1C ZINC000162469363 384625776 /nfs/dbraw/zinc/62/57/76/384625776.db2.gz DMRZHJHILNNGMA-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccnc2)oc1C ZINC000162469363 384625784 /nfs/dbraw/zinc/62/57/84/384625784.db2.gz DMRZHJHILNNGMA-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO c1cc2c(s1)CC[N@@H+](Cc1cncs1)C2 ZINC000124275643 384630667 /nfs/dbraw/zinc/63/06/67/384630667.db2.gz OFQCJNKXEOEFCB-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc2c(s1)CC[N@H+](Cc1cncs1)C2 ZINC000124275643 384630674 /nfs/dbraw/zinc/63/06/74/384630674.db2.gz OFQCJNKXEOEFCB-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Fc1cccc(OCCNc2cccc[nH+]2)c1 ZINC000079887039 384663106 /nfs/dbraw/zinc/66/31/06/384663106.db2.gz NUUZMUUCLAYHDG-UHFFFAOYSA-N 1 2 232.258 2.712 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000171811919 384665547 /nfs/dbraw/zinc/66/55/47/384665547.db2.gz JHPBBNVYMPBHDC-MRVPVSSYSA-N 1 2 203.289 2.564 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)no1 ZINC000162732417 384676482 /nfs/dbraw/zinc/67/64/82/384676482.db2.gz QSKHARCJMWENDX-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)no1 ZINC000162732417 384676486 /nfs/dbraw/zinc/67/64/86/384676486.db2.gz QSKHARCJMWENDX-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)CO)c(C)c1 ZINC000184688905 384636694 /nfs/dbraw/zinc/63/66/94/384636694.db2.gz ZZZGCZXYXVNGOX-NSHDSACASA-N 1 2 243.297 2.582 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)c(C)c1 ZINC000184688889 384637498 /nfs/dbraw/zinc/63/74/98/384637498.db2.gz ZZZGCZXYXVNGOX-LLVKDONJSA-N 1 2 243.297 2.582 20 0 BFADLO C[C@H](CC1CCCC1)C(=O)Nc1ccc(N)[nH+]c1 ZINC000151635422 384658307 /nfs/dbraw/zinc/65/83/07/384658307.db2.gz CKIMCVVXVAWFAK-SNVBAGLBSA-N 1 2 247.342 2.819 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@@H]1CC[C@H](C)O1 ZINC000173173241 384661325 /nfs/dbraw/zinc/66/13/25/384661325.db2.gz YXLSGOZAEMEXQH-RYUDHWBXSA-N 1 2 248.326 2.676 20 0 BFADLO C[C@@H]([NH2+]Cc1ccoc1)c1cc2n(n1)CCCC2 ZINC000647284192 384725895 /nfs/dbraw/zinc/72/58/95/384725895.db2.gz HEGBOIMFGMJDHU-LLVKDONJSA-N 1 2 245.326 2.663 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000271118980 384725808 /nfs/dbraw/zinc/72/58/08/384725808.db2.gz IXERSSFDPIOKPS-QWRGUYRKSA-N 1 2 233.315 2.510 20 0 BFADLO CCOc1ccc(NCc2[nH+]ccn2C)c(C)c1 ZINC000051923815 384705599 /nfs/dbraw/zinc/70/55/99/384705599.db2.gz PZCQVUZXUMTREJ-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO CSc1ccc(N[C@@H](C)[C@H]2CCCO2)[nH+]c1 ZINC000309922678 384717826 /nfs/dbraw/zinc/71/78/26/384717826.db2.gz SZOAXIXDIBXEGM-GXSJLCMTSA-N 1 2 238.356 2.783 20 0 BFADLO CSc1ccc(N[C@H](C)[C@@H]2CCCO2)[nH+]c1 ZINC000309922681 384719417 /nfs/dbraw/zinc/71/94/17/384719417.db2.gz SZOAXIXDIBXEGM-KOLCDFICSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1nc(Cc2cn3ccccc3[nH+]2)sc1C ZINC000643885752 384729864 /nfs/dbraw/zinc/72/98/64/384729864.db2.gz FLMOOXFOZBSAFO-UHFFFAOYSA-N 1 2 243.335 2.998 20 0 BFADLO Cc1nc(CC[N@H+](CC(F)F)C(C)C)cs1 ZINC000125604122 384733471 /nfs/dbraw/zinc/73/34/71/384733471.db2.gz JRRFCJYIDBXNDC-UHFFFAOYSA-N 1 2 248.342 2.970 20 0 BFADLO Cc1nc(CC[N@@H+](CC(F)F)C(C)C)cs1 ZINC000125604122 384733476 /nfs/dbraw/zinc/73/34/76/384733476.db2.gz JRRFCJYIDBXNDC-UHFFFAOYSA-N 1 2 248.342 2.970 20 0 BFADLO Cc1ccc(NCc2ccco2)c(C)[nH+]1 ZINC000087151799 384742131 /nfs/dbraw/zinc/74/21/31/384742131.db2.gz KGQPTRYVUNVCTR-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CC[C@@H](COC)Nc1ccc(C)[nH+]c1C ZINC000087151659 384742982 /nfs/dbraw/zinc/74/29/82/384742982.db2.gz ZJPWLCRVKOFNFZ-NSHDSACASA-N 1 2 208.305 2.535 20 0 BFADLO CCSCCSCCCn1cc[nH+]c1 ZINC000185611096 384745928 /nfs/dbraw/zinc/74/59/28/384745928.db2.gz QHEUBPAMSAYZKD-UHFFFAOYSA-N 1 2 230.402 2.760 20 0 BFADLO Cc1cnc(C[NH+]2CCC(C(F)(F)F)CC2)o1 ZINC000174182486 384763126 /nfs/dbraw/zinc/76/31/26/384763126.db2.gz YWJQRYQXIXLRRL-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1ccnc([C@@H](C)[NH2+]Cc2cscn2)c1 ZINC000309778912 384824093 /nfs/dbraw/zinc/82/40/93/384824093.db2.gz MLAXWHMGTNEPDG-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc(N[C@@H]2CSC[C@H]2C)c[nH+]1 ZINC000295871536 384799117 /nfs/dbraw/zinc/79/91/17/384799117.db2.gz XKIACBVYEPRGKZ-LDYMZIIASA-N 1 2 208.330 2.553 20 0 BFADLO CCCc1csc(C[NH2+][C@@H](C)CF)n1 ZINC000308618902 384870100 /nfs/dbraw/zinc/87/01/00/384870100.db2.gz SLIOGZGXYQNNAR-QMMMGPOBSA-N 1 2 216.325 2.543 20 0 BFADLO Cc1ccccc1C[NH2+][C@H](C)c1csnn1 ZINC000398289952 384889888 /nfs/dbraw/zinc/88/98/88/384889888.db2.gz PBUHRWPVPOGKTL-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CC1 ZINC000308642684 384886155 /nfs/dbraw/zinc/88/61/55/384886155.db2.gz FPMIAALUJQYTFY-HZGVNTEJSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccccc1 ZINC000398285883 384887176 /nfs/dbraw/zinc/88/71/76/384887176.db2.gz NLLHBMABKJAKCD-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000186531690 384850630 /nfs/dbraw/zinc/85/06/30/384850630.db2.gz SQFQDZZEQZGVCV-GHMZBOCLSA-N 1 2 235.283 2.647 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ncc[nH]2)CCC1 ZINC000647237327 384851125 /nfs/dbraw/zinc/85/11/25/384851125.db2.gz RQWGWMVEXKXJFJ-UHFFFAOYSA-N 1 2 245.301 2.718 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]CC2(C)CC2)cc1 ZINC000647237156 384852652 /nfs/dbraw/zinc/85/26/52/384852652.db2.gz FPIXMEGLQIFZHC-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO CCCCOCC[N@H+](CCC)CC(F)F ZINC000101731610 384857593 /nfs/dbraw/zinc/85/75/93/384857593.db2.gz RNYGSOSVUWHRBR-UHFFFAOYSA-N 1 2 223.307 2.780 20 0 BFADLO CCCCOCC[N@@H+](CCC)CC(F)F ZINC000101731610 384857597 /nfs/dbraw/zinc/85/75/97/384857597.db2.gz RNYGSOSVUWHRBR-UHFFFAOYSA-N 1 2 223.307 2.780 20 0 BFADLO FC(F)n1ccnc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186617259 384857591 /nfs/dbraw/zinc/85/75/91/384857591.db2.gz OIUANORCKIQASN-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO FC(F)n1ccnc1C[N@H+]1CCCC2(CC2)C1 ZINC000186617259 384857599 /nfs/dbraw/zinc/85/75/99/384857599.db2.gz OIUANORCKIQASN-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO CCOc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000054935914 384861184 /nfs/dbraw/zinc/86/11/84/384861184.db2.gz VYTIDZHUQSHODN-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ncc[nH]1)CC2 ZINC000186703412 384868077 /nfs/dbraw/zinc/86/80/77/384868077.db2.gz KCFNDEFLZQNYMG-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1ncc[nH]1)CC2 ZINC000186703412 384868081 /nfs/dbraw/zinc/86/80/81/384868081.db2.gz KCFNDEFLZQNYMG-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cscn1 ZINC000127839209 384953142 /nfs/dbraw/zinc/95/31/42/384953142.db2.gz UXTPELLEQYTKJZ-SECBINFHSA-N 1 2 234.324 2.700 20 0 BFADLO CCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000301578759 384893897 /nfs/dbraw/zinc/89/38/97/384893897.db2.gz RKXFWUOVXSKFKW-UHFFFAOYSA-N 1 2 219.332 2.876 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)o1 ZINC000398304848 384897481 /nfs/dbraw/zinc/89/74/81/384897481.db2.gz WKMLOGALODEHLU-RKDXNWHRSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)o1 ZINC000398304846 384899718 /nfs/dbraw/zinc/89/97/18/384899718.db2.gz WKMLOGALODEHLU-DTWKUNHWSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1noc(C)c1C[NH+]1Cc2ccccc2C1 ZINC000106304770 384909457 /nfs/dbraw/zinc/90/94/57/384909457.db2.gz PEOITVHCOTWMTR-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO C[C@H]([N@H+](C)Cc1noc(C2CC2)n1)C1(C)CC1 ZINC000177216771 384914989 /nfs/dbraw/zinc/91/49/89/384914989.db2.gz HDCCVMCKORQCMB-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]([N@@H+](C)Cc1noc(C2CC2)n1)C1(C)CC1 ZINC000177216771 384914997 /nfs/dbraw/zinc/91/49/97/384914997.db2.gz HDCCVMCKORQCMB-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(N2CCCCC2)cc[nH+]1 ZINC000106461683 384916321 /nfs/dbraw/zinc/91/63/21/384916321.db2.gz IZQVEPRCRDDRKA-UHFFFAOYSA-N 1 2 205.305 2.590 20 0 BFADLO Cc1sc(NC(=O)Cn2cc[nH+]c2)c(C)c1C ZINC000175519719 384920714 /nfs/dbraw/zinc/92/07/14/384920714.db2.gz UJAMSTDOBYMBHA-UHFFFAOYSA-N 1 2 249.339 2.509 20 0 BFADLO CC(C)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364100419 384986318 /nfs/dbraw/zinc/98/63/18/384986318.db2.gz TXJRNSPWRGNYDL-LLVKDONJSA-N 1 2 235.331 2.509 20 0 BFADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1nccs1 ZINC000086510415 385022635 /nfs/dbraw/zinc/02/26/35/385022635.db2.gz ODRURUQXOMJNKC-JQWIXIFHSA-N 1 2 248.351 2.527 20 0 BFADLO CSC1(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000302846927 385008818 /nfs/dbraw/zinc/00/88/18/385008818.db2.gz GXEYKAJNIZUBGG-UHFFFAOYSA-N 1 2 237.372 2.908 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCC(C)C ZINC000107291108 384961904 /nfs/dbraw/zinc/96/19/04/384961904.db2.gz RXZXFGHCIPAUHE-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC=CCC1 ZINC000107294380 384963575 /nfs/dbraw/zinc/96/35/75/384963575.db2.gz ONJFHSNUQOMIAM-LLVKDONJSA-N 1 2 216.284 2.685 20 0 BFADLO Cc1ccc(N[C@H]2CCSC2)c(C)[nH+]1 ZINC000087151509 385079084 /nfs/dbraw/zinc/07/90/84/385079084.db2.gz ZMKSGASOMDXPSQ-JTQLQIEISA-N 1 2 208.330 2.616 20 0 BFADLO Cc1ccc(N[C@@H](C)c2nccnc2C)c[nH+]1 ZINC000188359158 385045005 /nfs/dbraw/zinc/04/50/05/385045005.db2.gz FVJHPUURYMQIMC-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO CCCCc1nc(C[N@H+](C(C)C)C2CC2)no1 ZINC000064931813 385129477 /nfs/dbraw/zinc/12/94/77/385129477.db2.gz VPNQZHGEWNQLCP-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO CCCCc1nc(C[N@@H+](C(C)C)C2CC2)no1 ZINC000064931813 385129484 /nfs/dbraw/zinc/12/94/84/385129484.db2.gz VPNQZHGEWNQLCP-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO Cc1ccc(NC(=O)N(C)CC2CC2)c(C)[nH+]1 ZINC000176746029 385142590 /nfs/dbraw/zinc/14/25/90/385142590.db2.gz OVOVOXHHSRKRRD-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717063 385135889 /nfs/dbraw/zinc/13/58/89/385135889.db2.gz NIPRCTZWQNSADX-JKSUJKDBSA-N 1 2 243.350 2.927 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717063 385135892 /nfs/dbraw/zinc/13/58/92/385135892.db2.gz NIPRCTZWQNSADX-JKSUJKDBSA-N 1 2 243.350 2.927 20 0 BFADLO Cc1cnc(CNc2ccc(N(C)C)[nH+]c2)s1 ZINC000294718928 385137095 /nfs/dbraw/zinc/13/70/95/385137095.db2.gz HYHHZBZRHCCGQS-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO c1[nH+]c(SCC[C@@H]2CCCO2)n2ccccc12 ZINC000188822289 385092962 /nfs/dbraw/zinc/09/29/62/385092962.db2.gz SHFRXLARCIOQCE-LBPRGKRZSA-N 1 2 248.351 2.996 20 0 BFADLO CCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000644682180 385095181 /nfs/dbraw/zinc/09/51/81/385095181.db2.gz LCVOHDLMBDWXLK-GXSJLCMTSA-N 1 2 240.322 2.725 20 0 BFADLO CCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000644682180 385095186 /nfs/dbraw/zinc/09/51/86/385095186.db2.gz LCVOHDLMBDWXLK-GXSJLCMTSA-N 1 2 240.322 2.725 20 0 BFADLO Cc1nc(NCc2c[nH+]c(C)cc2C)sc1C ZINC000336257351 385104398 /nfs/dbraw/zinc/10/43/98/385104398.db2.gz QIEGJZKDCLIGAV-UHFFFAOYSA-N 1 2 247.367 2.806 20 0 BFADLO CSCc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000189474748 385158750 /nfs/dbraw/zinc/15/87/50/385158750.db2.gz MYQDIIBTYPERLJ-UHFFFAOYSA-N 1 2 247.367 2.563 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C(=O)OC ZINC000310784637 385165574 /nfs/dbraw/zinc/16/55/74/385165574.db2.gz ZHHQDLZHTRCTFM-AWEZNQCLSA-N 1 2 247.338 2.605 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@]1(F)c1ccccc1)c1ncc[nH]1 ZINC000424327386 385166761 /nfs/dbraw/zinc/16/67/61/385166761.db2.gz PUJMPCZDTXCELN-SUHUHFCYSA-N 1 2 245.301 2.698 20 0 BFADLO C[C@H](N[C@@H]1C[C@]1(F)c1ccccc1)c1[nH]cc[nH+]1 ZINC000424327386 385166763 /nfs/dbraw/zinc/16/67/63/385166763.db2.gz PUJMPCZDTXCELN-SUHUHFCYSA-N 1 2 245.301 2.698 20 0 BFADLO C[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110110920 385212280 /nfs/dbraw/zinc/21/22/80/385212280.db2.gz AMFSCTXEXQQGGV-JTQLQIEISA-N 1 2 217.316 2.590 20 0 BFADLO Cc1cnc(CCN(C)c2cccc[nH+]2)s1 ZINC000166014665 385214929 /nfs/dbraw/zinc/21/49/29/385214929.db2.gz UCWNKJUFCNKSPQ-UHFFFAOYSA-N 1 2 233.340 2.525 20 0 BFADLO c1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000019777001 385241371 /nfs/dbraw/zinc/24/13/71/385241371.db2.gz OMKVLQACQVUISZ-UHFFFAOYSA-N 1 2 214.268 2.573 20 0 BFADLO CC1(C)CCCC[C@@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000131154704 385314847 /nfs/dbraw/zinc/31/48/47/385314847.db2.gz QCTZPLGBNOQLQL-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@H]1CCCCO1 ZINC000110767984 385259545 /nfs/dbraw/zinc/25/95/45/385259545.db2.gz YODPAGMLVRVOEP-GFCCVEGCSA-N 1 2 248.326 2.678 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccnn1C(C)C ZINC000280141144 385264813 /nfs/dbraw/zinc/26/48/13/385264813.db2.gz DTFGNVAEUGWTRM-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CC[C@@H](COC)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000153617353 385268501 /nfs/dbraw/zinc/26/85/01/385268501.db2.gz HOZLBLOPNRAMLP-ZDUSSCGKSA-N 1 2 248.370 2.906 20 0 BFADLO CC[C@@H](COC)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000153617353 385268509 /nfs/dbraw/zinc/26/85/09/385268509.db2.gz HOZLBLOPNRAMLP-ZDUSSCGKSA-N 1 2 248.370 2.906 20 0 BFADLO C[N@H+](C/C=C/Cl)Cc1ccc(Cl)nc1 ZINC000177834871 385291873 /nfs/dbraw/zinc/29/18/73/385291873.db2.gz FOERUUCFIIHOPW-GORDUTHDSA-N 1 2 231.126 2.919 20 0 BFADLO C[N@@H+](C/C=C/Cl)Cc1ccc(Cl)nc1 ZINC000177834871 385291876 /nfs/dbraw/zinc/29/18/76/385291876.db2.gz FOERUUCFIIHOPW-GORDUTHDSA-N 1 2 231.126 2.919 20 0 BFADLO Fc1cccc(C[N@H+](Cc2cocn2)C2CC2)c1 ZINC000191926271 385334492 /nfs/dbraw/zinc/33/44/92/385334492.db2.gz MMESEJSIPWYRJD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2cocn2)C2CC2)c1 ZINC000191926271 385334497 /nfs/dbraw/zinc/33/44/97/385334497.db2.gz MMESEJSIPWYRJD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO c1[nH+]c2c(cc1NCC1CC1)CCCC2 ZINC000309071376 385402053 /nfs/dbraw/zinc/40/20/53/385402053.db2.gz DMFHMEOIPGPNCH-UHFFFAOYSA-N 1 2 202.301 2.782 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000155959778 385425815 /nfs/dbraw/zinc/42/58/15/385425815.db2.gz HBHZUQWVADWBAS-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000155959778 385425819 /nfs/dbraw/zinc/42/58/19/385425819.db2.gz HBHZUQWVADWBAS-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H]2CCCO2)c1Cl ZINC000309095548 385407492 /nfs/dbraw/zinc/40/74/92/385407492.db2.gz DRTZVZWDMGDMSB-VIFPVBQESA-N 1 2 226.707 2.634 20 0 BFADLO C[C@H]1OCC[C@H]1SCc1cn2ccccc2[nH+]1 ZINC000178841192 385421290 /nfs/dbraw/zinc/42/12/90/385421290.db2.gz RNCVMHJNTYVCKV-ZYHUDNBSSA-N 1 2 248.351 2.745 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nccn1C ZINC000170956005 385457620 /nfs/dbraw/zinc/45/76/20/385457620.db2.gz LRZVRMIAXKNNTM-LBPRGKRZSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nccn1C ZINC000170956005 385457624 /nfs/dbraw/zinc/45/76/24/385457624.db2.gz LRZVRMIAXKNNTM-LBPRGKRZSA-N 1 2 241.338 2.539 20 0 BFADLO Nc1cc(CSc2ccccc2)cc[nH+]1 ZINC000052755897 385457198 /nfs/dbraw/zinc/45/71/98/385457198.db2.gz MPPHHBZQWFVEQW-UHFFFAOYSA-N 1 2 216.309 2.956 20 0 BFADLO CCOc1ccc([NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000195046467 385457362 /nfs/dbraw/zinc/45/73/62/385457362.db2.gz XFHKKRBPODSFJV-BXUZGUMPSA-N 1 2 235.327 2.922 20 0 BFADLO Cc1ccc(NC(=O)NC2(C)CCC2)c(C)[nH+]1 ZINC000179413347 385465125 /nfs/dbraw/zinc/46/51/25/385465125.db2.gz AKFOSKRAILMPLV-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccco1 ZINC000179567762 385474704 /nfs/dbraw/zinc/47/47/04/385474704.db2.gz QPDWSRWLHMDJGU-NSHDSACASA-N 1 2 216.284 2.658 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccco1 ZINC000179567762 385474707 /nfs/dbraw/zinc/47/47/07/385474707.db2.gz QPDWSRWLHMDJGU-NSHDSACASA-N 1 2 216.284 2.658 20 0 BFADLO CS[C@@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000179384461 385463382 /nfs/dbraw/zinc/46/33/82/385463382.db2.gz QFHQRTHPZXWYMW-VIFPVBQESA-N 1 2 238.356 2.779 20 0 BFADLO Cc1cnn(CCCCC[N@@H+](C)CC(F)F)c1 ZINC000111221646 385497116 /nfs/dbraw/zinc/49/71/16/385497116.db2.gz LMLSCLMNBTUUOJ-UHFFFAOYSA-N 1 2 245.317 2.559 20 0 BFADLO Cc1cnn(CCCCC[N@H+](C)CC(F)F)c1 ZINC000111221646 385497118 /nfs/dbraw/zinc/49/71/18/385497118.db2.gz LMLSCLMNBTUUOJ-UHFFFAOYSA-N 1 2 245.317 2.559 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC000179892994 385498381 /nfs/dbraw/zinc/49/83/81/385498381.db2.gz GIMHFYPWZOPGBS-JTQLQIEISA-N 1 2 232.327 2.726 20 0 BFADLO CC[C@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2C)CCO1 ZINC000180303084 385518481 /nfs/dbraw/zinc/51/84/81/385518481.db2.gz GSXHFQHKRQSHCB-RYUDHWBXSA-N 1 2 248.326 2.534 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)OC(C)(C)C2)cc[nH+]1 ZINC000106465152 385510934 /nfs/dbraw/zinc/51/09/34/385510934.db2.gz YIYNDNCMXLSJCO-LLVKDONJSA-N 1 2 249.358 2.604 20 0 BFADLO CC[C@@H](CNc1[nH+]ccc(C)c1Cl)OC ZINC000309226493 385489270 /nfs/dbraw/zinc/48/92/70/385489270.db2.gz WCKHMMOETRYOKM-VIFPVBQESA-N 1 2 228.723 2.880 20 0 BFADLO Cc1c([C@@H](C)[NH2+]C/C(Cl)=C/Cl)cnn1C ZINC000183315507 385520447 /nfs/dbraw/zinc/52/04/47/385520447.db2.gz PASYILPMGSUXNY-CPLNQPMESA-N 1 2 248.157 2.698 20 0 BFADLO CC[C@@H]([NH2+]C(C)(C)c1cccs1)C(=O)OC ZINC000309379088 385557441 /nfs/dbraw/zinc/55/74/41/385557441.db2.gz AAVPSXVBAVDQGS-SECBINFHSA-N 1 2 241.356 2.524 20 0 BFADLO CC[C@H]([NH2+]C(C)(C)c1cccs1)C(=O)OC ZINC000309379091 385558167 /nfs/dbraw/zinc/55/81/67/385558167.db2.gz AAVPSXVBAVDQGS-VIFPVBQESA-N 1 2 241.356 2.524 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1cccc(F)c1 ZINC000107288751 385560085 /nfs/dbraw/zinc/56/00/85/385560085.db2.gz UFDSNOAIXAKQTF-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000107291871 385560851 /nfs/dbraw/zinc/56/08/51/385560851.db2.gz QPXQESJVHHRHLR-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000107291535 385560855 /nfs/dbraw/zinc/56/08/55/385560855.db2.gz PKDYGENERAUXLY-GHMZBOCLSA-N 1 2 242.278 2.725 20 0 BFADLO C/C=C(\C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000643126873 385564525 /nfs/dbraw/zinc/56/45/25/385564525.db2.gz GJZXUTSOPRGQOJ-RUDMXATFSA-N 1 2 229.283 2.787 20 0 BFADLO CC(C)c1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000066531806 385569166 /nfs/dbraw/zinc/56/91/66/385569166.db2.gz ZDLJZXWMWCWNHF-PHIMTYICSA-N 1 2 237.347 2.956 20 0 BFADLO CC(C)c1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000066531806 385569168 /nfs/dbraw/zinc/56/91/68/385569168.db2.gz ZDLJZXWMWCWNHF-PHIMTYICSA-N 1 2 237.347 2.956 20 0 BFADLO CC[C@H]1C[C@@H](C(=O)Nc2cc[nH+]c(C)c2)CCO1 ZINC000181317943 385571868 /nfs/dbraw/zinc/57/18/68/385571868.db2.gz DBXPNKZCIKHMEV-AAEUAGOBSA-N 1 2 248.326 2.534 20 0 BFADLO COC(=O)[C@H]([NH2+]CC(C)C)c1ccc(C)c(C)c1 ZINC000037966022 385595713 /nfs/dbraw/zinc/59/57/13/385595713.db2.gz ZBGHWQNOCHXWGZ-CQSZACIVSA-N 1 2 249.354 2.763 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2)no1 ZINC000182322588 385656430 /nfs/dbraw/zinc/65/64/30/385656430.db2.gz DBOZUWVTRMYWAZ-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO COC(=O)C[NH2+][C@H](CC(C)C)c1cccs1 ZINC000309522802 385661070 /nfs/dbraw/zinc/66/10/70/385661070.db2.gz ATIQPJXRWKWBSC-SNVBAGLBSA-N 1 2 241.356 2.598 20 0 BFADLO CCN(CCC1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000354581963 385680939 /nfs/dbraw/zinc/68/09/39/385680939.db2.gz SHKCIJVMSXUGEJ-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO C(=C/c1ccncc1)\CNc1cccc[nH+]1 ZINC000309593934 385717482 /nfs/dbraw/zinc/71/74/82/385717482.db2.gz HSGIMTHNIYKPHS-ONEGZZNKSA-N 1 2 211.268 2.602 20 0 BFADLO COC[C@@H](CC(C)C)Nc1ccc(C)[nH+]c1 ZINC000309554954 385686990 /nfs/dbraw/zinc/68/69/90/385686990.db2.gz JKGYUQIGRLFDOL-CYBMUJFWSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1ccc(NC(=O)/C=C/c2ccc[nH]2)c(C)[nH+]1 ZINC000188358981 385691187 /nfs/dbraw/zinc/69/11/87/385691187.db2.gz JJSHWACZBTUHOZ-SOFGYWHQSA-N 1 2 241.294 2.678 20 0 BFADLO Cc1cc[nH+]c(NC[C@@](C)(O)C2CC2)c1Cl ZINC000336735293 385701630 /nfs/dbraw/zinc/70/16/30/385701630.db2.gz LOSJWRMSBMAZGG-GFCCVEGCSA-N 1 2 240.734 2.616 20 0 BFADLO CSc1ccccc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000281812679 385703918 /nfs/dbraw/zinc/70/39/18/385703918.db2.gz WFGLLJOHDYDQRA-JTQLQIEISA-N 1 2 247.367 2.982 20 0 BFADLO COc1cc(C)[nH+]c(COc2ccc(C)nc2)c1 ZINC000270428712 385707905 /nfs/dbraw/zinc/70/79/05/385707905.db2.gz VIBUCFUIZDLFEC-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO Cn1ccc(C[N@H+](Cc2cccs2)C2CC2)n1 ZINC000270773725 385742419 /nfs/dbraw/zinc/74/24/19/385742419.db2.gz IIYWCRIINMRBMZ-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cn1ccc(C[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000270773725 385742423 /nfs/dbraw/zinc/74/24/23/385742423.db2.gz IIYWCRIINMRBMZ-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO CCC[C@@H](C)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643225031 385767838 /nfs/dbraw/zinc/76/78/38/385767838.db2.gz YCNXXLBCSOTKQS-SNVBAGLBSA-N 1 2 249.358 2.686 20 0 BFADLO Cc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000010165096 385772852 /nfs/dbraw/zinc/77/28/52/385772852.db2.gz PROOAQVQBPSDKH-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000293980666 385779613 /nfs/dbraw/zinc/77/96/13/385779613.db2.gz IJKSLQOJCUEWPP-VXGBXAGGSA-N 1 2 231.343 2.800 20 0 BFADLO c1snnc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414857030 385727084 /nfs/dbraw/zinc/72/70/84/385727084.db2.gz ZNTBMONKLWIRSK-UHFFFAOYSA-N 1 2 246.339 2.508 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2CCCC2)c1 ZINC000335596301 385826586 /nfs/dbraw/zinc/82/65/86/385826586.db2.gz JXICARBRFIRSAZ-UHFFFAOYSA-N 1 2 216.259 2.974 20 0 BFADLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccco2)[nH]1 ZINC000271457666 385830247 /nfs/dbraw/zinc/83/02/47/385830247.db2.gz GVXMCHJYRMWCGT-NXEZZACHSA-N 1 2 248.330 2.933 20 0 BFADLO C[C@@H]1CCCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413222304 385831734 /nfs/dbraw/zinc/83/17/34/385831734.db2.gz BLUGSTXXYQMQDX-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CCCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413222304 385831735 /nfs/dbraw/zinc/83/17/35/385831735.db2.gz BLUGSTXXYQMQDX-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO c1cc2c(cc1C[N@@H+]1CCO[C@H]3C[C@H]31)CCCC2 ZINC000644836721 385844205 /nfs/dbraw/zinc/84/42/05/385844205.db2.gz BZDVNAYXLPBUEQ-CVEARBPZSA-N 1 2 243.350 2.539 20 0 BFADLO c1cc2c(cc1C[N@H+]1CCO[C@H]3C[C@H]31)CCCC2 ZINC000644836721 385844210 /nfs/dbraw/zinc/84/42/10/385844210.db2.gz BZDVNAYXLPBUEQ-CVEARBPZSA-N 1 2 243.350 2.539 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000271793479 385851388 /nfs/dbraw/zinc/85/13/88/385851388.db2.gz RBWOBBDEEUUXLN-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)c(C)c1 ZINC000284157542 385853740 /nfs/dbraw/zinc/85/37/40/385853740.db2.gz QWRAFXSNDBIGIS-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000353197746 385792746 /nfs/dbraw/zinc/79/27/46/385792746.db2.gz WRPDQNZRGNJUCJ-GFCCVEGCSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000353197746 385792750 /nfs/dbraw/zinc/79/27/50/385792750.db2.gz WRPDQNZRGNJUCJ-GFCCVEGCSA-N 1 2 240.297 2.744 20 0 BFADLO CC[N@@H+](CC(=O)OC)C/C(C)=C/c1ccccc1 ZINC000271137168 385793412 /nfs/dbraw/zinc/79/34/12/385793412.db2.gz AIXXAFIMAGRFHS-JLHYYAGUSA-N 1 2 247.338 2.585 20 0 BFADLO CC[N@H+](CC(=O)OC)C/C(C)=C/c1ccccc1 ZINC000271137168 385793416 /nfs/dbraw/zinc/79/34/16/385793416.db2.gz AIXXAFIMAGRFHS-JLHYYAGUSA-N 1 2 247.338 2.585 20 0 BFADLO Cc1nocc1C[N@@H+](C)Cc1ccccc1F ZINC000294963232 385928530 /nfs/dbraw/zinc/92/85/30/385928530.db2.gz QXHKSZYAPFZMDC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1nocc1C[N@H+](C)Cc1ccccc1F ZINC000294963232 385928539 /nfs/dbraw/zinc/92/85/39/385928539.db2.gz QXHKSZYAPFZMDC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CCC[C@H](CNc1cc[nH+]c2ccncc12)OC ZINC000294962955 385928812 /nfs/dbraw/zinc/92/88/12/385928812.db2.gz NPSHACDUTXAZFW-LLVKDONJSA-N 1 2 245.326 2.857 20 0 BFADLO Cc1nocc1C[N@@H+]1CCc2sccc2C1 ZINC000294790213 385894927 /nfs/dbraw/zinc/89/49/27/385894927.db2.gz CLYUYTXZVJGJLV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1nocc1C[N@H+]1CCc2sccc2C1 ZINC000294790213 385894932 /nfs/dbraw/zinc/89/49/32/385894932.db2.gz CLYUYTXZVJGJLV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000272423736 385902066 /nfs/dbraw/zinc/90/20/66/385902066.db2.gz NVTPYPGWTKPAQW-GHMZBOCLSA-N 1 2 245.326 2.955 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccc(O)cc2)n1 ZINC000272453478 385902828 /nfs/dbraw/zinc/90/28/28/385902828.db2.gz WTGHSORCNFBHLG-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccc(O)cc2)n1 ZINC000272453478 385902834 /nfs/dbraw/zinc/90/28/34/385902834.db2.gz WTGHSORCNFBHLG-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO CSc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)[nH+]c1 ZINC000294918381 385916346 /nfs/dbraw/zinc/91/63/46/385916346.db2.gz AOSJQHHZQVZAEM-ATZCPNFKSA-N 1 2 238.356 2.781 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@](C)(F)C1 ZINC000294942765 385922163 /nfs/dbraw/zinc/92/21/63/385922163.db2.gz LQUMXWACQLWVFR-AWEZNQCLSA-N 1 2 247.317 2.902 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCCO1 ZINC000271913750 385861761 /nfs/dbraw/zinc/86/17/61/385861761.db2.gz BGGAMLURPXOTJK-PWSUYJOCSA-N 1 2 247.342 2.724 20 0 BFADLO CO[C@H](CNc1cccc[nH+]1)Cc1ccccc1 ZINC000294967323 385928009 /nfs/dbraw/zinc/92/80/09/385928009.db2.gz NSGADRCZCKGICI-AWEZNQCLSA-N 1 2 242.322 2.751 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@]23C[C@@H]2CCC3)c[nH+]1 ZINC000335022853 385982483 /nfs/dbraw/zinc/98/24/83/385982483.db2.gz ZIRHOYIULBENJD-ZFWWWQNUSA-N 1 2 244.338 2.505 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@H](C)OC)cs1 ZINC000285473490 385931591 /nfs/dbraw/zinc/93/15/91/385931591.db2.gz BIIWZCDYTYTQLS-JTQLQIEISA-N 1 2 242.388 2.562 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@H](C)OC)cs1 ZINC000285473490 385931599 /nfs/dbraw/zinc/93/15/99/385931599.db2.gz BIIWZCDYTYTQLS-JTQLQIEISA-N 1 2 242.388 2.562 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000285517418 385935684 /nfs/dbraw/zinc/93/56/84/385935684.db2.gz OAAVHJYSHUFUGB-ZDUSSCGKSA-N 1 2 245.326 2.562 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2(C)CCCC2)c[nH+]1 ZINC000335043849 385935915 /nfs/dbraw/zinc/93/59/15/385935915.db2.gz MVMJLYVWNWSNSU-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO COc1cc(C)[nH+]c(COc2cccnc2C)c1 ZINC000272884763 385946795 /nfs/dbraw/zinc/94/67/95/385946795.db2.gz HYICYPMIDDTVPR-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO CON(Cc1cn2ccccc2[nH+]1)CC(C)(C)C ZINC000285615450 385949349 /nfs/dbraw/zinc/94/93/49/385949349.db2.gz WDBADRFUOUVTDO-UHFFFAOYSA-N 1 2 247.342 2.744 20 0 BFADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000285633406 385950595 /nfs/dbraw/zinc/95/05/95/385950595.db2.gz LLLSEZKZYMHMNS-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000285633406 385950598 /nfs/dbraw/zinc/95/05/98/385950598.db2.gz LLLSEZKZYMHMNS-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cnn(C)c1 ZINC000335052741 385950885 /nfs/dbraw/zinc/95/08/85/385950885.db2.gz HNPYZDZRUZRJQS-SNVBAGLBSA-N 1 2 242.326 2.561 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCN2)[C@H]1CCCOC1 ZINC000335057072 385957212 /nfs/dbraw/zinc/95/72/12/385957212.db2.gz WXYCWORPQVKNNL-AAEUAGOBSA-N 1 2 246.354 2.882 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCOC1 ZINC000335057072 385957218 /nfs/dbraw/zinc/95/72/18/385957218.db2.gz WXYCWORPQVKNNL-AAEUAGOBSA-N 1 2 246.354 2.882 20 0 BFADLO C[C@H]1C[C@H]([NH2+]c2ccc3c(c2)CCN3)CCO1 ZINC000335055897 385957272 /nfs/dbraw/zinc/95/72/72/385957272.db2.gz RTKCGSPECIIMPS-GXFFZTMASA-N 1 2 232.327 2.634 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CCO1 ZINC000335055897 385957280 /nfs/dbraw/zinc/95/72/80/385957280.db2.gz RTKCGSPECIIMPS-GXFFZTMASA-N 1 2 232.327 2.634 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccn(C)n1 ZINC000335058198 385958344 /nfs/dbraw/zinc/95/83/44/385958344.db2.gz ZDHBIHUEURPNTJ-SNVBAGLBSA-N 1 2 242.326 2.561 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCCS1 ZINC000273010131 385960026 /nfs/dbraw/zinc/96/00/26/385960026.db2.gz XAOZOJRHBFXWPM-LLVKDONJSA-N 1 2 236.340 2.614 20 0 BFADLO CC[C@@H](F)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000336746898 385965314 /nfs/dbraw/zinc/96/53/14/385965314.db2.gz WYVBHQSZANNLKA-JGVFFNPUSA-N 1 2 232.249 2.759 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCC[C@H](CC)C2 ZINC000414178001 386019222 /nfs/dbraw/zinc/01/92/22/386019222.db2.gz JPHLLKHKUHRAQW-JSGCOSHPSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@@]12CCC[C@H](CC)C2 ZINC000414178001 386019230 /nfs/dbraw/zinc/01/92/30/386019230.db2.gz JPHLLKHKUHRAQW-JSGCOSHPSA-N 1 2 238.375 2.515 20 0 BFADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccc(C2CC2)c1 ZINC000295402213 386027102 /nfs/dbraw/zinc/02/71/02/386027102.db2.gz MDVBNISPEGJSHY-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1c[nH]nn1)c1cccc(C2CC2)c1 ZINC000295402213 386027107 /nfs/dbraw/zinc/02/71/07/386027107.db2.gz MDVBNISPEGJSHY-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1cn[nH]n1)c1cccc(C2CC2)c1 ZINC000295402213 386027112 /nfs/dbraw/zinc/02/71/12/386027112.db2.gz MDVBNISPEGJSHY-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO CC1=C(C(=O)NCc2c[nH+]c(C)cc2C)CCC1 ZINC000335060630 386027146 /nfs/dbraw/zinc/02/71/46/386027146.db2.gz XCKOYOSNJHRBON-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO c1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000129055587 386046081 /nfs/dbraw/zinc/04/60/81/386046081.db2.gz OPMKEZQJHCQWAW-VXGBXAGGSA-N 1 2 229.327 2.590 20 0 BFADLO c1cc(N2C[C@@H]3CCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000129055380 386047540 /nfs/dbraw/zinc/04/75/40/386047540.db2.gz OPMKEZQJHCQWAW-TXEJJXNPSA-N 1 2 229.327 2.590 20 0 BFADLO CCc1c[nH]c(SCc2c[nH+]ccc2OC)n1 ZINC000286541299 386049106 /nfs/dbraw/zinc/04/91/06/386049106.db2.gz OSMQDBLVOOUUSZ-UHFFFAOYSA-N 1 2 249.339 2.668 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000295545293 386049086 /nfs/dbraw/zinc/04/90/86/386049086.db2.gz WQMJJBIYDMULIK-MNOVXSKESA-N 1 2 247.338 2.776 20 0 BFADLO CC(=O)Nc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000274493666 386112113 /nfs/dbraw/zinc/11/21/13/386112113.db2.gz PTGOGJJOXPJNGD-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO CC(=O)Nc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000274493666 386112117 /nfs/dbraw/zinc/11/21/17/386112117.db2.gz PTGOGJJOXPJNGD-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO Cn1c[nH+]cc1CN1Cc2cccc(Cl)c2C1 ZINC000287327788 386113847 /nfs/dbraw/zinc/11/38/47/386113847.db2.gz KIIQAPNKTOKKMT-UHFFFAOYSA-N 1 2 247.729 2.589 20 0 BFADLO Cc1ccc(Cc2noc(C3CC=CC3)n2)c[nH+]1 ZINC000274019903 386061416 /nfs/dbraw/zinc/06/14/16/386061416.db2.gz XEBCQUWMZSFDME-UHFFFAOYSA-N 1 2 241.294 2.797 20 0 BFADLO CCn1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)n1 ZINC000414207540 386061568 /nfs/dbraw/zinc/06/15/68/386061568.db2.gz KHIFSYXPDYRHRM-NSHDSACASA-N 1 2 247.342 2.964 20 0 BFADLO CCC1(C(=O)NCc2[nH]c[nH+]c2C)CCCCC1 ZINC000274111843 386073740 /nfs/dbraw/zinc/07/37/40/386073740.db2.gz ZSTCWJJUSSXQGB-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000334447053 386076395 /nfs/dbraw/zinc/07/63/95/386076395.db2.gz HPGMDFLXKKMHPX-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000334450713 386088960 /nfs/dbraw/zinc/08/89/60/386088960.db2.gz SIRRGIPMCLPNSO-PHIMTYICSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000334450713 386088966 /nfs/dbraw/zinc/08/89/66/386088966.db2.gz SIRRGIPMCLPNSO-PHIMTYICSA-N 1 2 247.342 2.569 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)no1 ZINC000223649471 386092456 /nfs/dbraw/zinc/09/24/56/386092456.db2.gz QPTCHXJBFWPXEY-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO COc1cc[nH+]cc1NCc1ccoc1C ZINC000414287768 386098232 /nfs/dbraw/zinc/09/82/32/386098232.db2.gz FJRYXSPNMOUOBQ-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CC[C@H](F)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000440775683 386148491 /nfs/dbraw/zinc/14/84/91/386148491.db2.gz OTXQGINEIVKOPM-LBPRGKRZSA-N 1 2 243.322 2.785 20 0 BFADLO CC[C@H](F)C[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000440775683 386148495 /nfs/dbraw/zinc/14/84/95/386148495.db2.gz OTXQGINEIVKOPM-LBPRGKRZSA-N 1 2 243.322 2.785 20 0 BFADLO C[N@H+](Cc1ncc(Cl)cc1Cl)C1CC1 ZINC000334477779 386163835 /nfs/dbraw/zinc/16/38/35/386163835.db2.gz QPBRBYROHNFCMB-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1ncc(Cl)cc1Cl)C1CC1 ZINC000334477779 386163838 /nfs/dbraw/zinc/16/38/38/386163838.db2.gz QPBRBYROHNFCMB-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000338881841 386166841 /nfs/dbraw/zinc/16/68/41/386166841.db2.gz UWINCKOVWZFBJS-COPLHBTASA-N 1 2 249.358 2.659 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000414371866 386169753 /nfs/dbraw/zinc/16/97/53/386169753.db2.gz YVMFDTKODBVCHV-SECBINFHSA-N 1 2 248.330 2.680 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccc(C)o2)cn1 ZINC000414373691 386177983 /nfs/dbraw/zinc/17/79/83/386177983.db2.gz TVEBEDHZGWJFJI-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccc(C)o2)cn1 ZINC000414373691 386177986 /nfs/dbraw/zinc/17/79/86/386177986.db2.gz TVEBEDHZGWJFJI-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Clc1ccc(C[N@H+](C2CC2)C2COC2)s1 ZINC000296052313 386128985 /nfs/dbraw/zinc/12/89/85/386128985.db2.gz OUKIJNSRDCYOCK-UHFFFAOYSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1ccc(C[N@@H+](C2CC2)C2COC2)s1 ZINC000296052313 386128992 /nfs/dbraw/zinc/12/89/92/386128992.db2.gz OUKIJNSRDCYOCK-UHFFFAOYSA-N 1 2 243.759 2.765 20 0 BFADLO CSc1cccc(N(C)Cc2[nH+]ccn2C)c1 ZINC000338792738 386141861 /nfs/dbraw/zinc/14/18/61/386141861.db2.gz WVAIDEPXRGALNX-UHFFFAOYSA-N 1 2 247.367 2.778 20 0 BFADLO CCOCCNc1cc[nH+]c2c(OC)cccc12 ZINC000275603070 386224472 /nfs/dbraw/zinc/22/44/72/386224472.db2.gz QERDUENWYUEWAX-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1coc(C)n1 ZINC000647969707 386235805 /nfs/dbraw/zinc/23/58/05/386235805.db2.gz LHVUTZWNFDHNEM-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1coc(C)n1 ZINC000647969707 386235808 /nfs/dbraw/zinc/23/58/08/386235808.db2.gz LHVUTZWNFDHNEM-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO CCC1(C)C[NH+](Cc2nc(C)cs2)C1 ZINC000297347582 386245988 /nfs/dbraw/zinc/24/59/88/386245988.db2.gz GDQGZFJFPGSDAG-UHFFFAOYSA-N 1 2 210.346 2.683 20 0 BFADLO CC(C)CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275882538 386249508 /nfs/dbraw/zinc/24/95/08/386249508.db2.gz QNTMEVMRWPECAK-CYBMUJFWSA-N 1 2 244.342 2.530 20 0 BFADLO CCc1nc(C[NH+]2CC(C)(CC)C2)cs1 ZINC000297395772 386250831 /nfs/dbraw/zinc/25/08/31/386250831.db2.gz KWZYKFQIAXIUDM-UHFFFAOYSA-N 1 2 224.373 2.937 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000226367866 386281582 /nfs/dbraw/zinc/28/15/82/386281582.db2.gz INHVTQNWWZHFEE-FPMFFAJLSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(C)cc2)c[nH+]1 ZINC000264904243 386282146 /nfs/dbraw/zinc/28/21/46/386282146.db2.gz XUIXTGMKNXSNSP-JTQLQIEISA-N 1 2 243.310 2.518 20 0 BFADLO COCc1cc[nH+]c(NCc2ccnc(C)c2)c1 ZINC000628326441 386290199 /nfs/dbraw/zinc/29/01/99/386290199.db2.gz HGXUQMVXHCZOHU-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CC(C)(C)CCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000236601993 386290961 /nfs/dbraw/zinc/29/09/61/386290961.db2.gz JXNOXXJVYGODJV-UHFFFAOYSA-N 1 2 235.331 2.819 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC000645279147 386304505 /nfs/dbraw/zinc/30/45/05/386304505.db2.gz QQBXOFGLWJQHOC-RYUDHWBXSA-N 1 2 249.333 2.777 20 0 BFADLO C[N@H+](Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000298268557 386316818 /nfs/dbraw/zinc/31/68/18/386316818.db2.gz FKKFTNVWHSYTKV-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO C[N@@H+](Cc1ncc(C(C)(C)C)o1)C1CC1 ZINC000298268557 386316820 /nfs/dbraw/zinc/31/68/20/386316820.db2.gz FKKFTNVWHSYTKV-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO CC[C@]1(C)CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000276076661 386271871 /nfs/dbraw/zinc/27/18/71/386271871.db2.gz UDPMIUUUFDQGDU-CQSZACIVSA-N 1 2 245.326 2.568 20 0 BFADLO COC[C@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000226652483 386354183 /nfs/dbraw/zinc/35/41/83/386354183.db2.gz PJLFCUYCCRVRCJ-ZDUSSCGKSA-N 1 2 248.351 2.620 20 0 BFADLO Cl/C=C/C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298508981 386356069 /nfs/dbraw/zinc/35/60/69/386356069.db2.gz VEMRPAMXXBOZNV-LVDDQXARSA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C/C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000298508981 386356072 /nfs/dbraw/zinc/35/60/72/386356072.db2.gz VEMRPAMXXBOZNV-LVDDQXARSA-N 1 2 237.730 2.812 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000336692878 386366707 /nfs/dbraw/zinc/36/67/07/386366707.db2.gz IVVPMRPZGGWTMO-JTQLQIEISA-N 1 2 237.347 2.742 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000336692878 386366712 /nfs/dbraw/zinc/36/67/12/386366712.db2.gz IVVPMRPZGGWTMO-JTQLQIEISA-N 1 2 237.347 2.742 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CCc3sccc3C2)o1 ZINC000298669522 386368540 /nfs/dbraw/zinc/36/85/40/386368540.db2.gz FDTUKNPFQJUHBX-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CCc3sccc3C2)o1 ZINC000298669522 386368548 /nfs/dbraw/zinc/36/85/48/386368548.db2.gz FDTUKNPFQJUHBX-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NCCCC1CCCC1 ZINC000276736545 386369585 /nfs/dbraw/zinc/36/95/85/386369585.db2.gz UNJALBCVGOPFBI-BQYQJAHWSA-N 1 2 247.342 2.510 20 0 BFADLO COC(C)(C)CC[N@H+](CC(F)F)C1CC1 ZINC000336695150 386372969 /nfs/dbraw/zinc/37/29/69/386372969.db2.gz ZGHACPPCLXFKSA-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO COC(C)(C)CC[N@@H+](CC(F)F)C1CC1 ZINC000336695150 386372976 /nfs/dbraw/zinc/37/29/76/386372976.db2.gz ZGHACPPCLXFKSA-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)O ZINC000276805124 386378180 /nfs/dbraw/zinc/37/81/80/386378180.db2.gz RLEXQTMPQZYMFA-LBPRGKRZSA-N 1 2 249.358 2.561 20 0 BFADLO CCCc1nc(C[NH+]2CCC(C)(C)CC2)no1 ZINC000336698498 386381101 /nfs/dbraw/zinc/38/11/01/386381101.db2.gz KMPUNJZTGQXLDE-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000276518906 386338553 /nfs/dbraw/zinc/33/85/53/386338553.db2.gz CHNUYNCDTYEMJL-CMDGGOBGSA-N 1 2 247.342 2.604 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cccc(F)c1Cl ZINC000339287477 386339202 /nfs/dbraw/zinc/33/92/02/386339202.db2.gz OZLRVQBFNJZUHH-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cccc(F)c1Cl ZINC000339287477 386339211 /nfs/dbraw/zinc/33/92/11/386339211.db2.gz OZLRVQBFNJZUHH-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO FC(F)(F)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277524577 386443751 /nfs/dbraw/zinc/44/37/51/386443751.db2.gz VKUNGXOIQVSTEY-SECBINFHSA-N 1 2 230.233 2.860 20 0 BFADLO c1ncc(C[N@H+](Cc2cccnc2)C2CC2)s1 ZINC000290538012 386449465 /nfs/dbraw/zinc/44/94/65/386449465.db2.gz RCBWDHKGMWEDQM-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1ncc(C[N@@H+](Cc2cccnc2)C2CC2)s1 ZINC000290538012 386449471 /nfs/dbraw/zinc/44/94/71/386449471.db2.gz RCBWDHKGMWEDQM-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)C12CCC2 ZINC000266006998 386389718 /nfs/dbraw/zinc/38/97/18/386389718.db2.gz MGWWPQQPPLDJGT-VXGBXAGGSA-N 1 2 232.327 2.841 20 0 BFADLO C[C@@H](CO)[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226802596 386395789 /nfs/dbraw/zinc/39/57/89/386395789.db2.gz CVIXOSMXNGHUBG-JGVFFNPUSA-N 1 2 248.248 2.529 20 0 BFADLO CSc1cc(C)ccc1C[NH2+]Cc1cocn1 ZINC000277104499 386406964 /nfs/dbraw/zinc/40/69/64/386406964.db2.gz WXAFXGKMURLRFH-UHFFFAOYSA-N 1 2 248.351 2.995 20 0 BFADLO COC(C)(C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000266221133 386414094 /nfs/dbraw/zinc/41/40/94/386414094.db2.gz HQVXJIQYAJFPDY-SNVBAGLBSA-N 1 2 249.358 2.970 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000336710477 386424796 /nfs/dbraw/zinc/42/47/96/386424796.db2.gz ZDNRHVLSACUTQM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000336710477 386424803 /nfs/dbraw/zinc/42/48/03/386424803.db2.gz ZDNRHVLSACUTQM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC[C@@H](NC(=O)C1CC2(CCC2)C1)c1[nH]cc[nH+]1 ZINC000519406517 386434681 /nfs/dbraw/zinc/43/46/81/386434681.db2.gz ZJWRKWCSHZYXJC-LLVKDONJSA-N 1 2 247.342 2.557 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC1CC(C)(C)C1 ZINC000340339508 386434912 /nfs/dbraw/zinc/43/49/12/386434912.db2.gz KJCPVATXWLIBLZ-UHFFFAOYSA-N 1 2 246.354 2.831 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227202380 386468786 /nfs/dbraw/zinc/46/87/86/386468786.db2.gz JLUCTUIWRPNYPV-MRVWCRGKSA-N 1 2 247.338 2.679 20 0 BFADLO CC(C)[C@@H](NC(=O)C1=CCCCC1)c1[nH]cc[nH+]1 ZINC000290713861 386471154 /nfs/dbraw/zinc/47/11/54/386471154.db2.gz KOYIYAXSDFRFNL-GFCCVEGCSA-N 1 2 247.342 2.723 20 0 BFADLO C1=CC[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277866534 386474365 /nfs/dbraw/zinc/47/43/65/386474365.db2.gz RRHOVYRCJQXKMS-LBPRGKRZSA-N 1 2 244.342 2.597 20 0 BFADLO C1=CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277866534 386474368 /nfs/dbraw/zinc/47/43/68/386474368.db2.gz RRHOVYRCJQXKMS-LBPRGKRZSA-N 1 2 244.342 2.597 20 0 BFADLO COC(=O)C1(CNc2cccc[nH+]2)CCCCC1 ZINC000291005457 386498584 /nfs/dbraw/zinc/49/85/84/386498584.db2.gz VQBDCOXRNCCMOP-UHFFFAOYSA-N 1 2 248.326 2.617 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cocn1 ZINC000278211361 386501456 /nfs/dbraw/zinc/50/14/56/386501456.db2.gz RFYYUSFTQQBNKM-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cocn1 ZINC000278211361 386501460 /nfs/dbraw/zinc/50/14/60/386501460.db2.gz RFYYUSFTQQBNKM-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000339667533 386512380 /nfs/dbraw/zinc/51/23/80/386512380.db2.gz SLCHJXWKMPOZBX-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000339667533 386512388 /nfs/dbraw/zinc/51/23/88/386512388.db2.gz SLCHJXWKMPOZBX-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H](CC3CC3)C2)no1 ZINC000339674027 386515609 /nfs/dbraw/zinc/51/56/09/386515609.db2.gz JNNIGFAXNFTOBY-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H](CC3CC3)C2)no1 ZINC000339674027 386515618 /nfs/dbraw/zinc/51/56/18/386515618.db2.gz JNNIGFAXNFTOBY-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)C(C)(C)C)nn1C ZINC000335449312 386518799 /nfs/dbraw/zinc/51/87/99/386518799.db2.gz LKIGLTRGUUWUJR-UHFFFAOYSA-N 1 2 229.755 2.612 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)C(C)(C)C)nn1C ZINC000335449312 386518803 /nfs/dbraw/zinc/51/88/03/386518803.db2.gz LKIGLTRGUUWUJR-UHFFFAOYSA-N 1 2 229.755 2.612 20 0 BFADLO CN(C[C@H]1CCOC1)c1ccc2ccccc2[nH+]1 ZINC000267305899 386524441 /nfs/dbraw/zinc/52/44/41/386524441.db2.gz VVNJLQCBFYDBFE-GFCCVEGCSA-N 1 2 242.322 2.708 20 0 BFADLO CCC[C@H](C)CC(=O)Nc1c[nH+]ccc1OC ZINC000299525349 386462200 /nfs/dbraw/zinc/46/22/00/386462200.db2.gz PNIZPKFBYCNZJN-JTQLQIEISA-N 1 2 236.315 2.855 20 0 BFADLO C[N@H+](Cc1csc(Cl)n1)[C@H]1CCSC1 ZINC000289487932 386577125 /nfs/dbraw/zinc/57/71/25/386577125.db2.gz CHMLLKPANPGFRP-QMMMGPOBSA-N 1 2 248.804 2.734 20 0 BFADLO C[N@@H+](Cc1csc(Cl)n1)[C@H]1CCSC1 ZINC000289487932 386577126 /nfs/dbraw/zinc/57/71/26/386577126.db2.gz CHMLLKPANPGFRP-QMMMGPOBSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@H](N(C)c1cc[nH+]c(C2CC2)n1)C1(C)CC1 ZINC000267804302 386587766 /nfs/dbraw/zinc/58/77/66/386587766.db2.gz QYVBJMWTOUFDAF-JTQLQIEISA-N 1 2 231.343 2.979 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(C(C)(C)C)no2)c1 ZINC000291838844 386589838 /nfs/dbraw/zinc/58/98/38/386589838.db2.gz FVEHCILTDUXYOT-UHFFFAOYSA-N 1 2 245.326 2.856 20 0 BFADLO FCCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000336644575 386595286 /nfs/dbraw/zinc/59/52/86/386595286.db2.gz CHVYCSXJDVIKSH-UHFFFAOYSA-N 1 2 236.212 2.684 20 0 BFADLO c1nc(N[C@@H]2C[C@H]3C[C@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000425307542 386535835 /nfs/dbraw/zinc/53/58/35/386535835.db2.gz UIISFIZGVLMZRG-ZSBIGDGJSA-N 1 2 244.342 2.509 20 0 BFADLO c1nc(NCC2CC2)cc(N[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000425307542 386535844 /nfs/dbraw/zinc/53/58/44/386535844.db2.gz UIISFIZGVLMZRG-ZSBIGDGJSA-N 1 2 244.342 2.509 20 0 BFADLO Cn1c[nH+]cc1CN1CCCCc2ccccc21 ZINC000267561070 386553624 /nfs/dbraw/zinc/55/36/24/386553624.db2.gz AZWAIFHEIVLWQP-UHFFFAOYSA-N 1 2 241.338 2.763 20 0 BFADLO CCN(Cc1c[nH+]cn1C(C)C)CC(F)(F)F ZINC000425324818 386562113 /nfs/dbraw/zinc/56/21/13/386562113.db2.gz LBXBNFIJCCWHQQ-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000335501704 386629890 /nfs/dbraw/zinc/62/98/90/386629890.db2.gz WIBFZEPRMGRSPF-ZYHUDNBSSA-N 1 2 232.327 2.577 20 0 BFADLO CC[C@H](C)[C@@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450725043 386644560 /nfs/dbraw/zinc/64/45/60/386644560.db2.gz PQMWGOYMNWFBLY-WCQYABFASA-N 1 2 239.359 2.664 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)Cc2ccccc2)[nH]1 ZINC000292296218 386645870 /nfs/dbraw/zinc/64/58/70/386645870.db2.gz ZGPWDCXLJULOQW-UHFFFAOYSA-N 1 2 244.342 2.560 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)Cc2ccccc2)[nH]1 ZINC000292296218 386645876 /nfs/dbraw/zinc/64/58/76/386645876.db2.gz ZGPWDCXLJULOQW-UHFFFAOYSA-N 1 2 244.342 2.560 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)c(C)[nH]1 ZINC000644972922 386652825 /nfs/dbraw/zinc/65/28/25/386652825.db2.gz ZXGMDPVUFVJMQL-UHFFFAOYSA-N 1 2 243.310 2.896 20 0 BFADLO C[N@H+](CCCCC1CCOCC1)CC(F)F ZINC000337124195 386611864 /nfs/dbraw/zinc/61/18/64/386611864.db2.gz CXDMLZNOAIMRER-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO C[N@@H+](CCCCC1CCOCC1)CC(F)F ZINC000337124195 386611866 /nfs/dbraw/zinc/61/18/66/386611866.db2.gz CXDMLZNOAIMRER-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CCc1ccc(NCc2[nH]cc[nH+]2)cc1C ZINC000300766295 386614258 /nfs/dbraw/zinc/61/42/58/386614258.db2.gz SHCFYKNSLQVMDS-UHFFFAOYSA-N 1 2 215.300 2.893 20 0 BFADLO CC(C)n1nccc1C[N@H+](C)Cc1ccco1 ZINC000337131419 386618184 /nfs/dbraw/zinc/61/81/84/386618184.db2.gz KLJFXCPIMWSAHU-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccco1 ZINC000337131419 386618190 /nfs/dbraw/zinc/61/81/90/386618190.db2.gz KLJFXCPIMWSAHU-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO C[N@H+](Cc1ncc(C(F)(F)F)s1)C1CC1 ZINC000279325432 386664531 /nfs/dbraw/zinc/66/45/31/386664531.db2.gz CCZXFWUONFBVSR-UHFFFAOYSA-N 1 2 236.262 2.756 20 0 BFADLO C[N@@H+](Cc1ncc(C(F)(F)F)s1)C1CC1 ZINC000279325432 386664541 /nfs/dbraw/zinc/66/45/41/386664541.db2.gz CCZXFWUONFBVSR-UHFFFAOYSA-N 1 2 236.262 2.756 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000335527896 386672550 /nfs/dbraw/zinc/67/25/50/386672550.db2.gz LWDAUUISFVRCSI-CBAPKCEASA-N 1 2 240.253 2.538 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)Nc2c(C)cc[nH+]c2C)O1 ZINC000335529663 386678288 /nfs/dbraw/zinc/67/82/88/386678288.db2.gz RPBWMIBWEOJLPQ-NWDGAFQWSA-N 1 2 248.326 2.595 20 0 BFADLO CN(C(=O)CCc1[nH]cc[nH+]1)C1CCCCCC1 ZINC000279274487 386657583 /nfs/dbraw/zinc/65/75/83/386657583.db2.gz VUKKVWJJADXCMH-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@@H]1CC2(CCC2)CN1c1cccc[nH+]1 ZINC000335520807 386658433 /nfs/dbraw/zinc/65/84/33/386658433.db2.gz MRUDKGGBUDRYAO-LLVKDONJSA-N 1 2 202.301 2.851 20 0 BFADLO c1cn(CCNc2ccc3ccccc3n2)c[nH+]1 ZINC000041063109 386659008 /nfs/dbraw/zinc/65/90/08/386659008.db2.gz OFDGVCYQJZNNLS-UHFFFAOYSA-N 1 2 238.294 2.543 20 0 BFADLO CC1(C)CCCC[C@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000330421765 386710679 /nfs/dbraw/zinc/71/06/79/386710679.db2.gz ZUHDSRGPEOMIPN-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO CC1(C)CCCC[C@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000330421765 386710683 /nfs/dbraw/zinc/71/06/83/386710683.db2.gz ZUHDSRGPEOMIPN-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)CCC(F)(F)F)o1 ZINC000357006101 386684799 /nfs/dbraw/zinc/68/47/99/386684799.db2.gz NKDXILDURIUJSW-QMMMGPOBSA-N 1 2 236.237 2.928 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)CCC(F)(F)F)o1 ZINC000357006101 386684814 /nfs/dbraw/zinc/68/48/14/386684814.db2.gz NKDXILDURIUJSW-QMMMGPOBSA-N 1 2 236.237 2.928 20 0 BFADLO CCn1ccc(C[NH2+]Cc2cc(C)ccc2F)n1 ZINC000414488832 386702998 /nfs/dbraw/zinc/70/29/98/386702998.db2.gz XJMLKVTZNOKTLK-UHFFFAOYSA-N 1 2 247.317 2.640 20 0 BFADLO CCc1nc(C)ccc1OCc1ccc[nH+]c1N ZINC000645077323 386705087 /nfs/dbraw/zinc/70/50/87/386705087.db2.gz XDJDMYVYJZYUKM-UHFFFAOYSA-N 1 2 243.310 2.509 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000357182970 386733331 /nfs/dbraw/zinc/73/33/31/386733331.db2.gz FVPMJDKTXDRHSK-AAEUAGOBSA-N 1 2 246.354 2.831 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2C)[nH]1 ZINC000268934623 386723085 /nfs/dbraw/zinc/72/30/85/386723085.db2.gz FRLYHQAHXFIKDC-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccccc2C)[nH]1 ZINC000268934623 386723092 /nfs/dbraw/zinc/72/30/92/386723092.db2.gz FRLYHQAHXFIKDC-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cocn2)s1 ZINC000191940251 386723860 /nfs/dbraw/zinc/72/38/60/386723860.db2.gz QVIMIAZFCSDJAH-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cocn2)s1 ZINC000191940251 386723864 /nfs/dbraw/zinc/72/38/64/386723864.db2.gz QVIMIAZFCSDJAH-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO COc1c(O)cccc1C[NH2+]Cc1occc1C ZINC000292798840 386728992 /nfs/dbraw/zinc/72/89/92/386728992.db2.gz NIFGEBDZEXKVBJ-UHFFFAOYSA-N 1 2 247.294 2.592 20 0 BFADLO CCN(CC)c1ccc(NCc2cocn2)c[nH+]1 ZINC000192334451 386763753 /nfs/dbraw/zinc/76/37/53/386763753.db2.gz JMGDFINMOLJOTP-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C1CCC(C)(C)CC1 ZINC000269248283 386767423 /nfs/dbraw/zinc/76/74/23/386767423.db2.gz IUWSCVCMGTVIQC-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1CF ZINC000293039459 386769134 /nfs/dbraw/zinc/76/91/34/386769134.db2.gz LYHMTOJFJVSEND-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1CF ZINC000293039459 386769140 /nfs/dbraw/zinc/76/91/40/386769140.db2.gz LYHMTOJFJVSEND-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO Cc1nocc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000645155103 386789968 /nfs/dbraw/zinc/78/99/68/386789968.db2.gz CLGLCJUKKBOIHA-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1C(C)(C)C1(C)C ZINC000340878131 386795983 /nfs/dbraw/zinc/79/59/83/386795983.db2.gz LTGAPFLCMRLTJA-UHFFFAOYSA-N 1 2 246.354 2.687 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000293080255 386772291 /nfs/dbraw/zinc/77/22/91/386772291.db2.gz OTIYLQNRENGGJR-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000293080255 386772299 /nfs/dbraw/zinc/77/22/99/386772299.db2.gz OTIYLQNRENGGJR-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO Cc1cnc(NCc2ccn3cc[nH+]c3c2)s1 ZINC000357416402 386780398 /nfs/dbraw/zinc/78/03/98/386780398.db2.gz HHRCQGZEXFGFCG-UHFFFAOYSA-N 1 2 244.323 2.711 20 0 BFADLO Cc1nc(C[NH2+]C(C)(C)c2ccccc2C)no1 ZINC000293129842 386781470 /nfs/dbraw/zinc/78/14/70/386781470.db2.gz ZQGSXLCIFMWIIP-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CC[C@@H](CC1CCCC1)c1nc(C[NH2+]C)no1 ZINC000414505489 386786203 /nfs/dbraw/zinc/78/62/03/386786203.db2.gz UYOKNMPDYKLKHB-NSHDSACASA-N 1 2 237.347 2.863 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)[C@@H]2CC2(C)C)s1 ZINC000450879335 386801427 /nfs/dbraw/zinc/80/14/27/386801427.db2.gz UPBAICNBJJLHIK-SECBINFHSA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)[C@@H]2CC2(C)C)s1 ZINC000450879335 386801428 /nfs/dbraw/zinc/80/14/28/386801428.db2.gz UPBAICNBJJLHIK-SECBINFHSA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nc(N[C@@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000301215000 386825205 /nfs/dbraw/zinc/82/52/05/386825205.db2.gz ZJNGHEBQXOPZTA-QWRGUYRKSA-N 1 2 235.331 2.579 20 0 BFADLO CC(C)CCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000301225611 386825999 /nfs/dbraw/zinc/82/59/99/386825999.db2.gz DLIHPMIACFRMFJ-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO Cc1ccnc(Nc2ccc([NH+](C)C)c(C)c2)n1 ZINC000301292219 386831938 /nfs/dbraw/zinc/83/19/38/386831938.db2.gz VJPWYLDLLCCQKH-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000293549133 386835136 /nfs/dbraw/zinc/83/51/36/386835136.db2.gz GWASXWDHCSAVPZ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000293549133 386835159 /nfs/dbraw/zinc/83/51/59/386835159.db2.gz GWASXWDHCSAVPZ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1c[nH+]c(CNCc2ccc(Cl)cc2)n1C ZINC000341089633 386838111 /nfs/dbraw/zinc/83/81/11/386838111.db2.gz IDYPXZXIIGQUNY-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO FCC[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000280689269 386838831 /nfs/dbraw/zinc/83/88/31/386838831.db2.gz OGUBNDPYLFVXLQ-UHFFFAOYSA-N 1 2 236.315 2.869 20 0 BFADLO CC1(C)C[C@@H]1[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000330271781 386842741 /nfs/dbraw/zinc/84/27/41/386842741.db2.gz WNCJETVTBOCFDP-NWDGAFQWSA-N 1 2 248.374 2.814 20 0 BFADLO CCSCC[C@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000301444446 386844599 /nfs/dbraw/zinc/84/45/99/386844599.db2.gz QGDOITFWZHQMFN-NSHDSACASA-N 1 2 239.388 2.753 20 0 BFADLO Cc1cnc(CNc2cc[nH+]c(C3CC3)n2)s1 ZINC000301466765 386845594 /nfs/dbraw/zinc/84/55/94/386845594.db2.gz QDVZDEHNRQPPTQ-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO CCN(Cc1c[nH+]cn1C(C)C)CC(F)F ZINC000425334231 386847301 /nfs/dbraw/zinc/84/73/01/386847301.db2.gz GGMNEYIDXAEKDH-UHFFFAOYSA-N 1 2 231.290 2.551 20 0 BFADLO Cc1c[nH+]cc(NCc2ccc3c(n2)CCC3)c1 ZINC000334789338 386850529 /nfs/dbraw/zinc/85/05/29/386850529.db2.gz QTQJRMSVDAAJOO-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cc3n(n2)CCC3)c[nH+]1 ZINC000334827172 386862786 /nfs/dbraw/zinc/86/27/86/386862786.db2.gz ZJHKAIKQHDIQKG-NSHDSACASA-N 1 2 242.326 2.706 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(F)c(F)c2)n1C ZINC000341295333 386866180 /nfs/dbraw/zinc/86/61/80/386866180.db2.gz WQEAFZXYLVNEIN-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO Cc1cc(N(C)CCC(C)(C)C)nc[nH+]1 ZINC000645342464 386866395 /nfs/dbraw/zinc/86/63/95/386866395.db2.gz VUJOZQHAMNHNQD-UHFFFAOYSA-N 1 2 207.321 2.657 20 0 BFADLO COc1ccc(Cl)c(Cn2cc[nH+]c2)c1 ZINC000335751513 386877184 /nfs/dbraw/zinc/87/71/84/386877184.db2.gz UKJMTSJEBKPYHA-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)C1CCC1 ZINC000301819255 386882748 /nfs/dbraw/zinc/88/27/48/386882748.db2.gz IVXVTLZAKSZBJO-SNVBAGLBSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)C1CCC1 ZINC000301819255 386882753 /nfs/dbraw/zinc/88/27/53/386882753.db2.gz IVXVTLZAKSZBJO-SNVBAGLBSA-N 1 2 246.358 2.899 20 0 BFADLO CCO[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301888646 386886843 /nfs/dbraw/zinc/88/68/43/386886843.db2.gz PYYIERBAGLBEHP-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO CN(Cc1nccs1)c1[nH]c2ccccc2[nH+]1 ZINC000301881660 386886945 /nfs/dbraw/zinc/88/69/45/386886945.db2.gz MGPVPKVMRCNPHY-UHFFFAOYSA-N 1 2 244.323 2.656 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CCC[C@H]3CF)n2c1 ZINC000293842239 386888971 /nfs/dbraw/zinc/88/89/71/386888971.db2.gz BBINYMCVUKPKLX-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO C[C@H](C[C@@H](O)c1ccco1)Nc1cccc[nH+]1 ZINC000301908533 386889172 /nfs/dbraw/zinc/88/91/72/386889172.db2.gz RJYZCZNBFUKESV-GHMZBOCLSA-N 1 2 232.283 2.599 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CCC[C@@H]3CF)n2c1 ZINC000293842224 386889680 /nfs/dbraw/zinc/88/96/80/386889680.db2.gz BBINYMCVUKPKLX-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO CCN(CC1CC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341483757 386911815 /nfs/dbraw/zinc/91/18/15/386911815.db2.gz NYVLWCANLWOFPY-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000334859946 386912608 /nfs/dbraw/zinc/91/26/08/386912608.db2.gz QRJJTSJWHIHNIA-GFCCVEGCSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000334859946 386912609 /nfs/dbraw/zinc/91/26/09/386912609.db2.gz QRJJTSJWHIHNIA-GFCCVEGCSA-N 1 2 249.285 2.603 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2nccc(C)n2)c(C)o1 ZINC000330851531 386912848 /nfs/dbraw/zinc/91/28/48/386912848.db2.gz LTIZPVCLLWPJRR-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO C/C(=C/c1cccc2[nH+]ccn21)c1cnccn1 ZINC000358205606 386912956 /nfs/dbraw/zinc/91/29/56/386912956.db2.gz VLQBMGTUELXGNB-LUAWRHEFSA-N 1 2 236.278 2.685 20 0 BFADLO Cc1noc(CSCc2ccc(C)[nH+]c2C)n1 ZINC000330912375 386920778 /nfs/dbraw/zinc/92/07/78/386920778.db2.gz QWQOYQBCZMWULP-UHFFFAOYSA-N 1 2 249.339 2.823 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cccnc2)o1 ZINC000334872937 386932336 /nfs/dbraw/zinc/93/23/36/386932336.db2.gz WVZFRWLZLYLKPF-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cccnc2)o1 ZINC000334872937 386932342 /nfs/dbraw/zinc/93/23/42/386932342.db2.gz WVZFRWLZLYLKPF-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[NH2+]C2(c3ccccc3)CC2)nc1 ZINC000341661032 386940495 /nfs/dbraw/zinc/94/04/95/386940495.db2.gz SQILNPCXIMZMBR-UHFFFAOYSA-N 1 2 239.322 2.564 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2cccs2)[nH]1 ZINC000335876706 386941973 /nfs/dbraw/zinc/94/19/73/386941973.db2.gz DIXTXYNTFNUHHT-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2cccs2)[nH]1 ZINC000335876706 386941980 /nfs/dbraw/zinc/94/19/80/386941980.db2.gz DIXTXYNTFNUHHT-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302913957 386945041 /nfs/dbraw/zinc/94/50/41/386945041.db2.gz UWAFXEIMDDZCGH-VXGBXAGGSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302913957 386945044 /nfs/dbraw/zinc/94/50/44/386945044.db2.gz UWAFXEIMDDZCGH-VXGBXAGGSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302913954 386946148 /nfs/dbraw/zinc/94/61/48/386946148.db2.gz UWAFXEIMDDZCGH-NEPJUHHUSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302913954 386946151 /nfs/dbraw/zinc/94/61/51/386946151.db2.gz UWAFXEIMDDZCGH-NEPJUHHUSA-N 1 2 248.374 2.923 20 0 BFADLO c1coc([C@@H]2C[C@H]2Nc2cccc[nH+]2)c1 ZINC000334823225 386955230 /nfs/dbraw/zinc/95/52/30/386955230.db2.gz VGQZVEVAQVMBFY-NXEZZACHSA-N 1 2 200.241 2.643 20 0 BFADLO Fc1ccc2cc[nH+]c(NC[C@@H]3CCCO3)c2c1 ZINC000334893673 386967214 /nfs/dbraw/zinc/96/72/14/386967214.db2.gz RRITUZNDHORUOX-LBPRGKRZSA-N 1 2 246.285 2.965 20 0 BFADLO Cc1nc(C[N@@H+](CC(N)=O)C(C)C)c(C)s1 ZINC000331274253 386994653 /nfs/dbraw/zinc/99/46/53/386994653.db2.gz DHILLDPZFXJGMG-UHFFFAOYSA-N 1 2 241.360 2.506 20 0 BFADLO Cc1nc(C[N@H+](CC(N)=O)C(C)C)c(C)s1 ZINC000331274253 386994658 /nfs/dbraw/zinc/99/46/58/386994658.db2.gz DHILLDPZFXJGMG-UHFFFAOYSA-N 1 2 241.360 2.506 20 0 BFADLO CC[C@@H](F)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000331315957 387001773 /nfs/dbraw/zinc/00/17/73/387001773.db2.gz XZIQPFSYIMYDEL-DTWKUNHWSA-N 1 2 243.326 2.766 20 0 BFADLO CC[C@H](F)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000331315956 387002506 /nfs/dbraw/zinc/00/25/06/387002506.db2.gz XZIQPFSYIMYDEL-BDAKNGLRSA-N 1 2 243.326 2.766 20 0 BFADLO c1coc([C@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000369469746 387048040 /nfs/dbraw/zinc/04/80/40/387048040.db2.gz LOFWPMPPJQKNBL-CQSZACIVSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc([C@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000369469746 387048044 /nfs/dbraw/zinc/04/80/44/387048044.db2.gz LOFWPMPPJQKNBL-CQSZACIVSA-N 1 2 243.306 2.853 20 0 BFADLO CSc1ccc(N[C@H]2CSC[C@H]2C)[nH+]c1 ZINC000336222265 387061571 /nfs/dbraw/zinc/06/15/71/387061571.db2.gz RHWYWHPDIDTOIB-SCZZXKLOSA-N 1 2 240.397 2.967 20 0 BFADLO CSc1ccc(N[C@@H]2CSC[C@H]2C)[nH+]c1 ZINC000336222264 387061955 /nfs/dbraw/zinc/06/19/55/387061955.db2.gz RHWYWHPDIDTOIB-PSASIEDQSA-N 1 2 240.397 2.967 20 0 BFADLO c1[nH+]c2ccccn2c1CSCC1CC1 ZINC000359168837 387062442 /nfs/dbraw/zinc/06/24/42/387062442.db2.gz ULAPTUJXDOSFND-UHFFFAOYSA-N 1 2 218.325 2.978 20 0 BFADLO COc1cccc(Cl)c1Cn1cc[nH+]c1 ZINC000334935324 387011788 /nfs/dbraw/zinc/01/17/88/387011788.db2.gz CJFICEXLYOPENZ-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO Cc1c(Cl)cnn1Cc1c[nH+]ccc1C ZINC000334940094 387017650 /nfs/dbraw/zinc/01/76/50/387017650.db2.gz MKNSIOQEHPCERS-UHFFFAOYSA-N 1 2 221.691 2.597 20 0 BFADLO Cc1occc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000334883069 387025180 /nfs/dbraw/zinc/02/51/80/387025180.db2.gz ORFRCTJTFKUMMK-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1occc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000334883069 387025184 /nfs/dbraw/zinc/02/51/84/387025184.db2.gz ORFRCTJTFKUMMK-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1noc(C2CC2)n1 ZINC000066531797 387085835 /nfs/dbraw/zinc/08/58/35/387085835.db2.gz ZFOMMSGMHVONTN-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1noc(C2CC2)n1 ZINC000066531797 387085837 /nfs/dbraw/zinc/08/58/37/387085837.db2.gz ZFOMMSGMHVONTN-AOOOYVTPSA-N 1 2 235.331 2.710 20 0 BFADLO CCCc1nc(C[NH+]2[C@H](C)CCC[C@H]2C)no1 ZINC000066531542 387086547 /nfs/dbraw/zinc/08/65/47/387086547.db2.gz ZDGCHIMIUNCOCV-GHMZBOCLSA-N 1 2 237.347 2.785 20 0 BFADLO CCCc1nc(C[NH+]2[C@@H](C)CCC[C@@H]2C)no1 ZINC000066531541 387087580 /nfs/dbraw/zinc/08/75/80/387087580.db2.gz ZDGCHIMIUNCOCV-QWRGUYRKSA-N 1 2 237.347 2.785 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)o1 ZINC000228578249 387093835 /nfs/dbraw/zinc/09/38/35/387093835.db2.gz NRSBPRWGFPMHMJ-VHSXEESVSA-N 1 2 249.289 2.929 20 0 BFADLO CCN(CC1CC1)c1cc[nH+]c(C(C)C)n1 ZINC000112200333 387102167 /nfs/dbraw/zinc/10/21/67/387102167.db2.gz USWCZQGODBCFMN-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CCc1ncc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000068461621 387105278 /nfs/dbraw/zinc/10/52/78/387105278.db2.gz REJFJWBMYZJVPB-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO CSc1ccc(N[C@H]2COC(C)(C)C2)[nH+]c1 ZINC000334945430 387106214 /nfs/dbraw/zinc/10/62/14/387106214.db2.gz QUQFXJXVBCXXTJ-SECBINFHSA-N 1 2 238.356 2.783 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000336279839 387110146 /nfs/dbraw/zinc/11/01/46/387110146.db2.gz DTDYWRFSEBMKKL-CYBMUJFWSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000336279839 387110151 /nfs/dbraw/zinc/11/01/51/387110151.db2.gz DTDYWRFSEBMKKL-CYBMUJFWSA-N 1 2 249.285 2.603 20 0 BFADLO Cc1cn2cc(NC(=O)C[C@H]3C[C@@H]3C)ccc2[nH+]1 ZINC000334947823 387110430 /nfs/dbraw/zinc/11/04/30/387110430.db2.gz QDQJBWYFSBWGRD-GXSJLCMTSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1cn2cc(NC(=O)C[C@@H]3C[C@@H]3C)ccc2[nH+]1 ZINC000334947828 387111073 /nfs/dbraw/zinc/11/10/73/387111073.db2.gz QDQJBWYFSBWGRD-ONGXEEELSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1[nH]ccc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119299912 387113462 /nfs/dbraw/zinc/11/34/62/387113462.db2.gz HNCYSCWDYWEAIV-UHFFFAOYSA-N 1 2 229.283 2.587 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@H](C)C2)no1 ZINC000359532765 387118243 /nfs/dbraw/zinc/11/82/43/387118243.db2.gz UQNWZKKOOPAQJX-CMPLNLGQSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@H](C)C2)no1 ZINC000359532765 387118246 /nfs/dbraw/zinc/11/82/46/387118246.db2.gz UQNWZKKOOPAQJX-CMPLNLGQSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)nc2C)no1 ZINC000186655034 387120104 /nfs/dbraw/zinc/12/01/04/387120104.db2.gz GBPSFDJAJXJNLH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)nc2C)no1 ZINC000186655034 387120109 /nfs/dbraw/zinc/12/01/09/387120109.db2.gz GBPSFDJAJXJNLH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc[nH+]cc1NCc1cccc(O)c1 ZINC000070958144 387120302 /nfs/dbraw/zinc/12/03/02/387120302.db2.gz WMLRFCOZFPULTQ-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccon2)C1 ZINC000334980644 387067912 /nfs/dbraw/zinc/06/79/12/387067912.db2.gz HLUVVJJZQAAFEX-FZMZJTMJSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccon2)C1 ZINC000334980644 387067918 /nfs/dbraw/zinc/06/79/18/387067918.db2.gz HLUVVJJZQAAFEX-FZMZJTMJSA-N 1 2 243.310 2.653 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccsc2C)n1 ZINC000353163955 387148473 /nfs/dbraw/zinc/14/84/73/387148473.db2.gz DVEHHBDCTJZQLN-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccn(C)n1 ZINC000336322111 387150864 /nfs/dbraw/zinc/15/08/64/387150864.db2.gz YQPAYKCRZHKBKJ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccn(C)n1 ZINC000336322111 387150868 /nfs/dbraw/zinc/15/08/68/387150868.db2.gz YQPAYKCRZHKBKJ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO CC[C@H](C)C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187076618 387155383 /nfs/dbraw/zinc/15/53/83/387155383.db2.gz WRUXOYYAUKJUFT-MGPLVRAMSA-N 1 2 239.384 2.993 20 0 BFADLO C[N@H+](CCCc1cccc(F)c1)CC(F)F ZINC000352408627 387167379 /nfs/dbraw/zinc/16/73/79/387167379.db2.gz ZHYQZUQXDNICNR-UHFFFAOYSA-N 1 2 231.261 2.955 20 0 BFADLO C[N@@H+](CCCc1cccc(F)c1)CC(F)F ZINC000352408627 387167385 /nfs/dbraw/zinc/16/73/85/387167385.db2.gz ZHYQZUQXDNICNR-UHFFFAOYSA-N 1 2 231.261 2.955 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1cc(C)c(C)cc1C ZINC000353286659 387173501 /nfs/dbraw/zinc/17/35/01/387173501.db2.gz NALMQKKMNNYCMY-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1cc(C)c(C)cc1C ZINC000353286659 387173507 /nfs/dbraw/zinc/17/35/07/387173507.db2.gz NALMQKKMNNYCMY-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CCC(CC)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000120411408 387189919 /nfs/dbraw/zinc/18/99/19/387189919.db2.gz GGAWIWXFNPNOHB-AWEZNQCLSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1cnccc1C ZINC000353448105 387205127 /nfs/dbraw/zinc/20/51/27/387205127.db2.gz JLOZDACAOYXNQP-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1cnccc1C ZINC000353448105 387205133 /nfs/dbraw/zinc/20/51/33/387205133.db2.gz JLOZDACAOYXNQP-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3CC[C@@](C)(F)C3)n2c1 ZINC000336384733 387216054 /nfs/dbraw/zinc/21/60/54/387216054.db2.gz ZQJYDAMSPFJNBB-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3CC[C@@](C)(F)C3)n2c1 ZINC000336384733 387216060 /nfs/dbraw/zinc/21/60/60/387216060.db2.gz ZQJYDAMSPFJNBB-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CC[C@@](C)(F)C3)n2c1 ZINC000336384733 387216066 /nfs/dbraw/zinc/21/60/66/387216066.db2.gz ZQJYDAMSPFJNBB-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cc(N[C@]2(C)CCO[C@H]2C)nc(C(C)C)[nH+]1 ZINC000230099133 387231205 /nfs/dbraw/zinc/23/12/05/387231205.db2.gz PUHFSVPBYMCIDE-SMDDNHRTSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)c2ccc(C)nc2)no1 ZINC000353611837 387241692 /nfs/dbraw/zinc/24/16/92/387241692.db2.gz BMAFNOQRMVSFAL-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424664768 387242176 /nfs/dbraw/zinc/24/21/76/387242176.db2.gz KOHYIYPQIYDMRQ-AAEUAGOBSA-N 1 2 246.354 2.831 20 0 BFADLO CC(C)=CC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000161580054 387247992 /nfs/dbraw/zinc/24/79/92/387247992.db2.gz UACBKVDOGBDZOL-UHFFFAOYSA-N 1 2 235.331 2.703 20 0 BFADLO CCOC(=O)C(CC)(CC)[NH2+]CC=C(C)C ZINC000393777931 387317888 /nfs/dbraw/zinc/31/78/88/387317888.db2.gz ZFFZJGMZEWDRCF-UHFFFAOYSA-N 1 2 227.348 2.664 20 0 BFADLO FC(F)C[N@H+](CCCc1ccncc1)C1CC1 ZINC000360441582 387283451 /nfs/dbraw/zinc/28/34/51/387283451.db2.gz AIPLAELUMXVDBI-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)C[N@@H+](CCCc1ccncc1)C1CC1 ZINC000360441582 387283458 /nfs/dbraw/zinc/28/34/58/387283458.db2.gz AIPLAELUMXVDBI-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO C[NH2+]Cc1noc(C2=C(C)CC(C)(C)CC2)n1 ZINC000514846592 387301175 /nfs/dbraw/zinc/30/11/75/387301175.db2.gz VDWJYRPCKLLZBU-UHFFFAOYSA-N 1 2 235.331 2.773 20 0 BFADLO Cc1nc(N(C)CC2CCCCC2)cc[nH+]1 ZINC000360532073 387304904 /nfs/dbraw/zinc/30/49/04/387304904.db2.gz XDPYGRISRBMOAZ-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO Cc1nsc(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000572896361 387357777 /nfs/dbraw/zinc/35/77/77/387357777.db2.gz ORNYDHMWGFZJMJ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nsc(C)c1C[N@H+](C)Cc1cccnc1 ZINC000572896361 387357784 /nfs/dbraw/zinc/35/77/84/387357784.db2.gz ORNYDHMWGFZJMJ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCCc1cccc(C[NH2+]C(C)(C)C(=O)OC)c1 ZINC000360905098 387364873 /nfs/dbraw/zinc/36/48/73/387364873.db2.gz DLPJKVNDFQMMHG-UHFFFAOYSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)nc1 ZINC000336552966 387376566 /nfs/dbraw/zinc/37/65/66/387376566.db2.gz UKOZAJKLHRYEJX-CQSZACIVSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)nc1 ZINC000336552966 387376570 /nfs/dbraw/zinc/37/65/70/387376570.db2.gz UKOZAJKLHRYEJX-CQSZACIVSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1cn[nH]c1C[NH2+][C@H]1CSc2ccccc21 ZINC000336495046 387320181 /nfs/dbraw/zinc/32/01/81/387320181.db2.gz LRSSBIPMXXEBMD-LBPRGKRZSA-N 1 2 245.351 2.655 20 0 BFADLO Cc1c[nH]nc1C[NH2+][C@H]1CSc2ccccc21 ZINC000336495046 387320186 /nfs/dbraw/zinc/32/01/86/387320186.db2.gz LRSSBIPMXXEBMD-LBPRGKRZSA-N 1 2 245.351 2.655 20 0 BFADLO CC[C@]1(C)C[N@@H+]([C@H](C)c2ncc(C)o2)CCO1 ZINC000336497371 387322490 /nfs/dbraw/zinc/32/24/90/387322490.db2.gz IHRUYOFZLISYJX-DGCLKSJQSA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@]1(C)C[N@H+]([C@H](C)c2ncc(C)o2)CCO1 ZINC000336497371 387322497 /nfs/dbraw/zinc/32/24/97/387322497.db2.gz IHRUYOFZLISYJX-DGCLKSJQSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336570512 387395780 /nfs/dbraw/zinc/39/57/80/387395780.db2.gz PZESALXCDHYGLF-GWCFXTLKSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336570512 387395785 /nfs/dbraw/zinc/39/57/85/387395785.db2.gz PZESALXCDHYGLF-GWCFXTLKSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1cc(C)c(NC(=O)C2=CCC2)c(C)[nH+]1 ZINC000336573768 387397204 /nfs/dbraw/zinc/39/72/04/387397204.db2.gz ZXAOFCIDLFSDJL-UHFFFAOYSA-N 1 2 216.284 2.666 20 0 BFADLO Cc1cc(NCCCCC2CCCC2)nc[nH+]1 ZINC000361180187 387413032 /nfs/dbraw/zinc/41/30/32/387413032.db2.gz QLCYXRLRXIYRFL-UHFFFAOYSA-N 1 2 233.359 2.979 20 0 BFADLO c1cn(CCSCc2ccccc2)c[nH+]1 ZINC000121829293 387420614 /nfs/dbraw/zinc/42/06/14/387420614.db2.gz MBFGHLOSHFHFMM-UHFFFAOYSA-N 1 2 218.325 2.817 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)s1 ZINC000041014587 387499681 /nfs/dbraw/zinc/49/96/81/387499681.db2.gz IVRCUMHHVTYOBO-VIFPVBQESA-N 1 2 221.329 2.630 20 0 BFADLO CCCc1[nH+]c2ccccc2n1CC(C)(C)O ZINC000122265520 387501108 /nfs/dbraw/zinc/50/11/08/387501108.db2.gz MSXBGIHRMSVICE-UHFFFAOYSA-N 1 2 232.327 2.760 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H](OC)C1CC1 ZINC000424094887 387501215 /nfs/dbraw/zinc/50/12/15/387501215.db2.gz VTDDLZFZVCCJHJ-CQSZACIVSA-N 1 2 235.327 2.756 20 0 BFADLO CCOCc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000355399400 387531608 /nfs/dbraw/zinc/53/16/08/387531608.db2.gz LPBFURNEHVVKSJ-UHFFFAOYSA-N 1 2 245.326 2.569 20 0 BFADLO CCc1csc(NCc2c[nH+]c(C)cc2C)n1 ZINC000397034711 387533337 /nfs/dbraw/zinc/53/33/37/387533337.db2.gz ZNGANHDGLXTMKF-UHFFFAOYSA-N 1 2 247.367 2.751 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000122474577 387535235 /nfs/dbraw/zinc/53/52/35/387535235.db2.gz LOVYWGPBJKUAGL-QWRGUYRKSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)no1 ZINC000122474577 387535238 /nfs/dbraw/zinc/53/52/38/387535238.db2.gz LOVYWGPBJKUAGL-QWRGUYRKSA-N 1 2 237.347 2.671 20 0 BFADLO FCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000310210487 387536531 /nfs/dbraw/zinc/53/65/31/387536531.db2.gz GJKMAGSHORNCHC-AWEZNQCLSA-N 1 2 230.286 2.730 20 0 BFADLO FC1(CNc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000527232469 387540840 /nfs/dbraw/zinc/54/08/40/387540840.db2.gz CVXNYVDWZJMKNP-UHFFFAOYSA-N 1 2 249.333 2.986 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@H+](Cc2ccon2)C1 ZINC000374537542 387464393 /nfs/dbraw/zinc/46/43/93/387464393.db2.gz NGMXMTVAGASDMK-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccon2)C1 ZINC000374537542 387464398 /nfs/dbraw/zinc/46/43/98/387464398.db2.gz NGMXMTVAGASDMK-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO FC1(CNc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000527232840 387541927 /nfs/dbraw/zinc/54/19/27/387541927.db2.gz LWZXRPVDQIWEAT-UHFFFAOYSA-N 1 2 235.306 2.596 20 0 BFADLO COc1c(C)c[nH+]c(CN2[C@@H](C)C[C@@H]2C)c1C ZINC000336622753 387476835 /nfs/dbraw/zinc/47/68/35/387476835.db2.gz LESBKLWFBSPATP-QWRGUYRKSA-N 1 2 234.343 2.690 20 0 BFADLO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000375798559 387583272 /nfs/dbraw/zinc/58/32/72/387583272.db2.gz XBFVNGHDECNBBH-GFCCVEGCSA-N 1 2 221.300 2.619 20 0 BFADLO CC(C)=CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000375798559 387583278 /nfs/dbraw/zinc/58/32/78/387583278.db2.gz XBFVNGHDECNBBH-GFCCVEGCSA-N 1 2 221.300 2.619 20 0 BFADLO CCCC(C)(C)CC(=O)NCc1[nH]c[nH+]c1C ZINC000426709225 387586215 /nfs/dbraw/zinc/58/62/15/387586215.db2.gz QCHGHABXZQQYRZ-UHFFFAOYSA-N 1 2 237.347 2.551 20 0 BFADLO Clc1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000123699578 387591753 /nfs/dbraw/zinc/59/17/53/387591753.db2.gz UWODKMUBGUHKHZ-UHFFFAOYSA-N 1 2 222.675 2.780 20 0 BFADLO COC1(C)C[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362311558 387594333 /nfs/dbraw/zinc/59/43/33/387594333.db2.gz BIQXISPDBIFAOR-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO CO[C@H](C)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000124337606 387612728 /nfs/dbraw/zinc/61/27/28/387612728.db2.gz CBFQHBJTWIYRFX-LLVKDONJSA-N 1 2 245.326 2.740 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1[nH]ncc1C ZINC000356071070 387614463 /nfs/dbraw/zinc/61/44/63/387614463.db2.gz ZEBSAMHAIKOYJY-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1[nH]ncc1C ZINC000356071070 387614464 /nfs/dbraw/zinc/61/44/64/387614464.db2.gz ZEBSAMHAIKOYJY-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC2(C)C)cc[nH+]1 ZINC000356103238 387616220 /nfs/dbraw/zinc/61/62/20/387616220.db2.gz ULWVBUQJSJWZDS-LBPRGKRZSA-N 1 2 232.327 2.577 20 0 BFADLO c1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000356095559 387616571 /nfs/dbraw/zinc/61/65/71/387616571.db2.gz MMDVVJWBAWPADQ-UHFFFAOYSA-N 1 2 215.252 2.539 20 0 BFADLO Cc1cc(N[C@H]2C[C@]2(C)C(C)C)nc[nH+]1 ZINC000397196954 387551408 /nfs/dbraw/zinc/55/14/08/387551408.db2.gz OHBTYYRKEZODRX-CMPLNLGQSA-N 1 2 205.305 2.632 20 0 BFADLO c1snnc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000036902057 387558288 /nfs/dbraw/zinc/55/82/88/387558288.db2.gz LRMXRDNNBGCNCM-ZDUSSCGKSA-N 1 2 245.351 2.705 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1Cl ZINC000036900138 387558630 /nfs/dbraw/zinc/55/86/30/387558630.db2.gz SIECPIQVJLTPJR-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO CC1(CC(=O)Nc2ccc(N)[nH+]c2)CCCCC1 ZINC000422791112 387694378 /nfs/dbraw/zinc/69/43/78/387694378.db2.gz PXKVNERAVDHWAQ-UHFFFAOYSA-N 1 2 247.342 2.793 20 0 BFADLO CC(C)[C@@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000125174308 387647300 /nfs/dbraw/zinc/64/73/00/387647300.db2.gz AODGNLARILQULL-VIFPVBQESA-N 1 2 248.248 2.529 20 0 BFADLO CCC[C@H](CC)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000362697609 387649908 /nfs/dbraw/zinc/64/99/08/387649908.db2.gz CMWDYYPYSNWEPF-QWRGUYRKSA-N 1 2 249.358 2.525 20 0 BFADLO CCC[C@H](CC)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000362697609 387649911 /nfs/dbraw/zinc/64/99/11/387649911.db2.gz CMWDYYPYSNWEPF-QWRGUYRKSA-N 1 2 249.358 2.525 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000356383013 387651513 /nfs/dbraw/zinc/65/15/13/387651513.db2.gz BJVSINNAZLAOLX-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1cc(C)ccc1C ZINC000356383013 387651515 /nfs/dbraw/zinc/65/15/15/387651515.db2.gz BJVSINNAZLAOLX-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]C1CCCCC1 ZINC000431014715 387670858 /nfs/dbraw/zinc/67/08/58/387670858.db2.gz LBRMKPGKCOEANQ-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO CC1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431032790 387672971 /nfs/dbraw/zinc/67/29/71/387672971.db2.gz LUMAMISEDWFVRA-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO CO[C@H](C)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000126061698 387674458 /nfs/dbraw/zinc/67/44/58/387674458.db2.gz HEONJZAPOMOVPS-LLVKDONJSA-N 1 2 245.326 2.740 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ncccc2F)o1 ZINC000527825878 387744872 /nfs/dbraw/zinc/74/48/72/387744872.db2.gz GDBWTQWRQPCLFF-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1ccn2cc(C[NH2+]Cc3ccco3)nc2c1 ZINC000356921357 387746252 /nfs/dbraw/zinc/74/62/52/387746252.db2.gz PJAGETOJCGWXDE-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO CC[C@H](F)C[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000440793034 387703750 /nfs/dbraw/zinc/70/37/50/387703750.db2.gz OEAVKVIZOIZXCU-NSHDSACASA-N 1 2 247.354 2.787 20 0 BFADLO CC[C@H](F)C[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000440793034 387703755 /nfs/dbraw/zinc/70/37/55/387703755.db2.gz OEAVKVIZOIZXCU-NSHDSACASA-N 1 2 247.354 2.787 20 0 BFADLO CCCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431408447 387707671 /nfs/dbraw/zinc/70/76/71/387707671.db2.gz CHHOWIBSSLFCRJ-UHFFFAOYSA-N 1 2 221.279 2.559 20 0 BFADLO C[C@H]1CCC[C@@H]1[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431411162 387708813 /nfs/dbraw/zinc/70/88/13/387708813.db2.gz WTOVEQUXYWZRRW-ONGXEEELSA-N 1 2 247.317 2.735 20 0 BFADLO c1cc(OCCCC2CCOCC2)cc[nH+]1 ZINC000431477839 387709448 /nfs/dbraw/zinc/70/94/48/387709448.db2.gz OXTSSJADZOOGSL-UHFFFAOYSA-N 1 2 221.300 2.667 20 0 BFADLO COc1ccccc1OCCOc1cc[nH+]cc1 ZINC000431482779 387711051 /nfs/dbraw/zinc/71/10/51/387711051.db2.gz NGEMZYIHICIRTG-UHFFFAOYSA-N 1 2 245.278 2.548 20 0 BFADLO CCN(C(=O)NCc1c[nH+]c(C)cc1C)C(C)C ZINC000452047100 387712921 /nfs/dbraw/zinc/71/29/21/387712921.db2.gz YBZSCOCLKNASPR-UHFFFAOYSA-N 1 2 249.358 2.638 20 0 BFADLO CO[C@@H](COc1cc[nH+]cc1)c1ccccc1 ZINC000431514985 387716701 /nfs/dbraw/zinc/71/67/01/387716701.db2.gz VXRNPCFYZROYFN-AWEZNQCLSA-N 1 2 229.279 2.848 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2ncc(C)cn2)c1 ZINC000452084960 387731843 /nfs/dbraw/zinc/73/18/43/387731843.db2.gz LJTDBYUAMODAED-ZDUSSCGKSA-N 1 2 241.338 2.944 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@H](C)CC1 ZINC000527869827 387740822 /nfs/dbraw/zinc/74/08/22/387740822.db2.gz MRERSUVJOPQRDX-NSHDSACASA-N 1 2 220.316 2.717 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CC23CC3)c[nH+]1 ZINC000527883740 387770791 /nfs/dbraw/zinc/77/07/91/387770791.db2.gz DMRIHBZVJOAGOW-ZYHUDNBSSA-N 1 2 202.301 2.991 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)[C@H]1CC12CC2)C(F)(F)F ZINC000527896460 387777908 /nfs/dbraw/zinc/77/79/08/387777908.db2.gz FIOIOCSONBTJDB-XLPZGREQSA-N 1 2 207.239 2.715 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@H](C)C1 ZINC000527950592 387782657 /nfs/dbraw/zinc/78/26/57/387782657.db2.gz PACQUQUXKPOADV-GHMZBOCLSA-N 1 2 220.316 2.573 20 0 BFADLO c1nc(C[N@@H+]2CC[C@H]2c2ccccc2)co1 ZINC000432748943 387812820 /nfs/dbraw/zinc/81/28/20/387812820.db2.gz FGBASJHSQRZKQV-ZDUSSCGKSA-N 1 2 214.268 2.622 20 0 BFADLO c1nc(C[N@H+]2CC[C@H]2c2ccccc2)co1 ZINC000432748943 387812823 /nfs/dbraw/zinc/81/28/23/387812823.db2.gz FGBASJHSQRZKQV-ZDUSSCGKSA-N 1 2 214.268 2.622 20 0 BFADLO CC[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000442806561 387843088 /nfs/dbraw/zinc/84/30/88/387843088.db2.gz CFALJPNOISAYKB-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000442806564 387844669 /nfs/dbraw/zinc/84/46/69/387844669.db2.gz CFALJPNOISAYKB-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO CC(C)(C)CC[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000061838890 387846750 /nfs/dbraw/zinc/84/67/50/387846750.db2.gz UBUTVSHLKHYSFN-UHFFFAOYSA-N 1 2 245.330 2.510 20 0 BFADLO CC[C@@H](NCc1c[nH+]cn1C(C)C)C(F)F ZINC000424168487 387860043 /nfs/dbraw/zinc/86/00/43/387860043.db2.gz FVRBNAPABRZSLR-SNVBAGLBSA-N 1 2 231.290 2.597 20 0 BFADLO C[NH+](C)c1ccc(NCC2=CCCOC2)cc1 ZINC000157694032 387864668 /nfs/dbraw/zinc/86/46/68/387864668.db2.gz DKEVHFUOTMILCP-UHFFFAOYSA-N 1 2 232.327 2.511 20 0 BFADLO Fc1ccc2c(c1)OCC[N@@H+](Cc1ccco1)C2 ZINC000628494854 387865482 /nfs/dbraw/zinc/86/54/82/387865482.db2.gz BAMQTCDNWXCPQK-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1ccc2c(c1)OCC[N@H+](Cc1ccco1)C2 ZINC000628494854 387865486 /nfs/dbraw/zinc/86/54/86/387865486.db2.gz BAMQTCDNWXCPQK-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO CC[C@H]1CCCC[C@@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452413182 387816951 /nfs/dbraw/zinc/81/69/51/387816951.db2.gz DDGOJBPQROTSOI-NWDGAFQWSA-N 1 2 249.358 2.664 20 0 BFADLO COc1ccc[nH+]c1N1CC(C)(C)C[C@@H]1C ZINC000528034803 387817841 /nfs/dbraw/zinc/81/78/41/387817841.db2.gz QVYYAZNHSQGFQY-JTQLQIEISA-N 1 2 220.316 2.715 20 0 BFADLO CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C(C)(C)C ZINC000452661915 387883267 /nfs/dbraw/zinc/88/32/67/387883267.db2.gz LGNGECJUPNZKPV-NSHDSACASA-N 1 2 237.347 2.663 20 0 BFADLO Cc1nc([C@@](C)([NH2+]CC2=CCCC2)C2CC2)no1 ZINC000645922750 387883323 /nfs/dbraw/zinc/88/33/23/387883323.db2.gz PZZRWFROQZHXLX-AWEZNQCLSA-N 1 2 247.342 2.703 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528352843 387907215 /nfs/dbraw/zinc/90/72/15/387907215.db2.gz FTKZGHXCHDFUBU-UAWPZABVSA-N 1 2 239.750 2.732 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528352843 387907220 /nfs/dbraw/zinc/90/72/20/387907220.db2.gz FTKZGHXCHDFUBU-UAWPZABVSA-N 1 2 239.750 2.732 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@@H](C)[C@H](C)O1 ZINC000438353606 387928598 /nfs/dbraw/zinc/92/85/98/387928598.db2.gz JXEBMYCIQDFWLI-UTLUCORTSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@@H](C)[C@H](C)O1 ZINC000438353606 387928600 /nfs/dbraw/zinc/92/86/00/387928600.db2.gz JXEBMYCIQDFWLI-UTLUCORTSA-N 1 2 243.734 2.931 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3ncsc3C2)o1 ZINC000438357811 387928750 /nfs/dbraw/zinc/92/87/50/387928750.db2.gz NWRBDPXDQVSKSQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3ncsc3C2)o1 ZINC000438357811 387928752 /nfs/dbraw/zinc/92/87/52/387928752.db2.gz NWRBDPXDQVSKSQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CC[N@H+](CC1(C)COC1)c1cccc(C)c1 ZINC000438801377 387955745 /nfs/dbraw/zinc/95/57/45/387955745.db2.gz RUDNJSOGIXBDCC-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](CC1(C)COC1)c1cccc(C)c1 ZINC000438801377 387955748 /nfs/dbraw/zinc/95/57/48/387955748.db2.gz RUDNJSOGIXBDCC-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245440337 387945753 /nfs/dbraw/zinc/94/57/53/387945753.db2.gz ULMAWLTYVZGEGB-MBNYWOFBSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245440337 387945758 /nfs/dbraw/zinc/94/57/58/387945758.db2.gz ULMAWLTYVZGEGB-MBNYWOFBSA-N 1 2 247.338 2.631 20 0 BFADLO Cc1ccc(C[NH2+]Cc2noc(C3CC3)n2)cc1 ZINC000438848590 387958874 /nfs/dbraw/zinc/95/88/74/387958874.db2.gz BZQDOJOCTAAQNW-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)[C@@H](C)CO1 ZINC000245543354 387956851 /nfs/dbraw/zinc/95/68/51/387956851.db2.gz QTHRLQCPPLPHCT-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)[C@@H](C)CO1 ZINC000245543354 387956854 /nfs/dbraw/zinc/95/68/54/387956854.db2.gz QTHRLQCPPLPHCT-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO COCCC[C@H](C)[NH2+]c1ccc2c(c1)CCN2 ZINC000423217565 387999114 /nfs/dbraw/zinc/99/91/14/387999114.db2.gz QHGSKTVIZAYZRQ-NSHDSACASA-N 1 2 234.343 2.882 20 0 BFADLO COCCC[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217565 387999119 /nfs/dbraw/zinc/99/91/19/387999119.db2.gz QHGSKTVIZAYZRQ-NSHDSACASA-N 1 2 234.343 2.882 20 0 BFADLO CC(C)[C@H](N[C@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000453225188 388014634 /nfs/dbraw/zinc/01/46/34/388014634.db2.gz QHNGKERTVIRYRI-IUCAKERBSA-N 1 2 247.264 2.504 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cncs1)C(F)F ZINC000453228325 388016622 /nfs/dbraw/zinc/01/66/22/388016622.db2.gz BMXVFSLRFVYLHM-RNFRBKRXSA-N 1 2 220.288 2.837 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)cc1Cl ZINC000446899542 388044522 /nfs/dbraw/zinc/04/45/22/388044522.db2.gz SBMPTOIDPMDZIH-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1Cl ZINC000446899542 388044524 /nfs/dbraw/zinc/04/45/24/388044524.db2.gz SBMPTOIDPMDZIH-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO C[C@@H]([N@H+](C)Cc1noc(C2CC2)n1)C(C)(C)C ZINC000533250124 388040860 /nfs/dbraw/zinc/04/08/60/388040860.db2.gz WBARMNQPRPJBGB-SECBINFHSA-N 1 2 237.347 2.813 20 0 BFADLO C[C@@H]([N@@H+](C)Cc1noc(C2CC2)n1)C(C)(C)C ZINC000533250124 388040864 /nfs/dbraw/zinc/04/08/64/388040864.db2.gz WBARMNQPRPJBGB-SECBINFHSA-N 1 2 237.347 2.813 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000453350162 388055126 /nfs/dbraw/zinc/05/51/26/388055126.db2.gz GAPCXYIPNFAPRR-SNVBAGLBSA-N 1 2 234.299 2.989 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000645897887 388067586 /nfs/dbraw/zinc/06/75/86/388067586.db2.gz BBABIOVIDGKXEA-NWDGAFQWSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC000645897887 388067590 /nfs/dbraw/zinc/06/75/90/388067590.db2.gz BBABIOVIDGKXEA-NWDGAFQWSA-N 1 2 247.329 2.923 20 0 BFADLO CSCCc1[nH]c2ccc(C)cc2[nH+]1 ZINC000069985592 388077220 /nfs/dbraw/zinc/07/72/20/388077220.db2.gz AGHRQCYFSMRYAG-UHFFFAOYSA-N 1 2 206.314 2.777 20 0 BFADLO CSCCc1[nH]c2cc(C)ccc2[nH+]1 ZINC000069985592 388077223 /nfs/dbraw/zinc/07/72/23/388077223.db2.gz AGHRQCYFSMRYAG-UHFFFAOYSA-N 1 2 206.314 2.777 20 0 BFADLO CCC1C[NH+](Cc2csc(C3CC3)n2)C1 ZINC000453611125 388091867 /nfs/dbraw/zinc/09/18/67/388091867.db2.gz ZGXWEAGNEDVGOW-UHFFFAOYSA-N 1 2 222.357 2.862 20 0 BFADLO CC/C=C\CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000455445273 388160513 /nfs/dbraw/zinc/16/05/13/388160513.db2.gz RPCHFRYPPWEFBX-WAYWQWQTSA-N 1 2 233.315 2.786 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1=CCC(C)(C)CC1 ZINC000455527791 388162478 /nfs/dbraw/zinc/16/24/78/388162478.db2.gz NWHCKSJWAIPLBK-UHFFFAOYSA-N 1 2 244.338 2.887 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2csc(C)c2)n1 ZINC000449279860 388166469 /nfs/dbraw/zinc/16/64/69/388166469.db2.gz UBRVANUAZLUMNM-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccncc1F ZINC000449333378 388174034 /nfs/dbraw/zinc/17/40/34/388174034.db2.gz BGRRGVZTPUGNIG-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccncc1F ZINC000449333378 388174035 /nfs/dbraw/zinc/17/40/35/388174035.db2.gz BGRRGVZTPUGNIG-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO FCC(CF)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000449381188 388188796 /nfs/dbraw/zinc/18/87/96/388188796.db2.gz QQACSGVLWXODQZ-UHFFFAOYSA-N 1 2 246.326 2.808 20 0 BFADLO CC(C)[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000449349347 388178811 /nfs/dbraw/zinc/17/88/11/388178811.db2.gz FSSKQURVNVEYOO-UHFFFAOYSA-N 1 2 239.746 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000449349347 388178813 /nfs/dbraw/zinc/17/88/13/388178813.db2.gz FSSKQURVNVEYOO-UHFFFAOYSA-N 1 2 239.746 2.949 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C(F)F ZINC000449357722 388181647 /nfs/dbraw/zinc/18/16/47/388181647.db2.gz DBEVWVVFYHYTJZ-LLVKDONJSA-N 1 2 229.270 2.829 20 0 BFADLO CC[C@H]([NH2+]Cc1cc2cccnc2o1)C(F)F ZINC000449358752 388181855 /nfs/dbraw/zinc/18/18/55/388181855.db2.gz GIPZVVHKFLCPJF-JTQLQIEISA-N 1 2 240.253 2.961 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc2c1OCO2)C(F)F ZINC000449364224 388182902 /nfs/dbraw/zinc/18/29/02/388182902.db2.gz RNXIEXKKJRUARO-VIFPVBQESA-N 1 2 243.253 2.549 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(OC)c1)C(F)F ZINC000449365920 388183495 /nfs/dbraw/zinc/18/34/95/388183495.db2.gz XNANVBYDYQMJHD-NSHDSACASA-N 1 2 229.270 2.829 20 0 BFADLO Cc1ccc(C)c(C[NH2+]C(CF)CF)c1 ZINC000449373331 388185303 /nfs/dbraw/zinc/18/53/03/388185303.db2.gz QBMDGMOINXFSCQ-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CCC[C@@H]2C)cc[nH+]1 ZINC000448961923 388123787 /nfs/dbraw/zinc/12/37/87/388123787.db2.gz NWFVZCJWJKDVRU-IINYFYTJSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1nc([C@@H](C)[N@H+](C)CCC(C)(C)C)no1 ZINC000646028617 388128372 /nfs/dbraw/zinc/12/83/72/388128372.db2.gz KPNANISOFBOZCH-SECBINFHSA-N 1 2 225.336 2.807 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+](C)CCC(C)(C)C)no1 ZINC000646028617 388128375 /nfs/dbraw/zinc/12/83/75/388128375.db2.gz KPNANISOFBOZCH-SECBINFHSA-N 1 2 225.336 2.807 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1F ZINC000449017303 388130753 /nfs/dbraw/zinc/13/07/53/388130753.db2.gz YHCBPZYJFAMTMX-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1F ZINC000449017303 388130755 /nfs/dbraw/zinc/13/07/55/388130755.db2.gz YHCBPZYJFAMTMX-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000449041466 388135150 /nfs/dbraw/zinc/13/51/50/388135150.db2.gz MYSRPRPVGRTMAO-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)cc(C[N@H+]2CC[C@](C)(F)C2)c1 ZINC000449041466 388135152 /nfs/dbraw/zinc/13/51/52/388135152.db2.gz MYSRPRPVGRTMAO-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1F ZINC000449393638 388192645 /nfs/dbraw/zinc/19/26/45/388192645.db2.gz MHYGVBYDGQEBLI-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1F ZINC000449393638 388192647 /nfs/dbraw/zinc/19/26/47/388192647.db2.gz MHYGVBYDGQEBLI-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC(C)(C)C ZINC000456350925 388197003 /nfs/dbraw/zinc/19/70/03/388197003.db2.gz AQGZGHCEXRCWQJ-JTQLQIEISA-N 1 2 237.347 2.516 20 0 BFADLO CC(C)[C@H](C)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456366063 388197937 /nfs/dbraw/zinc/19/79/37/388197937.db2.gz GSGUNMDTBQYRSC-GRYCIOLGSA-N 1 2 249.358 2.687 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000449411636 388198342 /nfs/dbraw/zinc/19/83/42/388198342.db2.gz CCCZKZYFDFODOL-VIFPVBQESA-N 1 2 228.286 2.777 20 0 BFADLO FCCC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451799092 388297455 /nfs/dbraw/zinc/29/74/55/388297455.db2.gz NAYLXWYFLCDDNY-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451799092 388297456 /nfs/dbraw/zinc/29/74/56/388297456.db2.gz NAYLXWYFLCDDNY-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO CCCN(CCC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492297273 388340723 /nfs/dbraw/zinc/34/07/23/388340723.db2.gz HGTARWBWGUPWSM-FPLPWBNLSA-N 1 2 249.358 2.565 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc(F)cc1F ZINC000293660031 388357069 /nfs/dbraw/zinc/35/70/69/388357069.db2.gz TXXCMOQOOMBGLN-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)C1CCCC1 ZINC000235220461 388366535 /nfs/dbraw/zinc/36/65/35/388366535.db2.gz VBBYZVCZNMPXAD-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)C1CCCC1 ZINC000235220461 388366538 /nfs/dbraw/zinc/36/65/38/388366538.db2.gz VBBYZVCZNMPXAD-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO Cc1cc(NC(=O)c2ccccc2F)cc[nH+]1 ZINC000010163059 388379598 /nfs/dbraw/zinc/37/95/98/388379598.db2.gz SOGMDSYYCREUGX-UHFFFAOYSA-N 1 2 230.242 2.781 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccoc1)C(F)F ZINC000572952233 388397028 /nfs/dbraw/zinc/39/70/28/388397028.db2.gz SIGIMRAPDOXNNK-APPZFPTMSA-N 1 2 203.232 2.974 20 0 BFADLO CC(C)[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846689 388403409 /nfs/dbraw/zinc/40/34/09/388403409.db2.gz JOKPIFQJJOPPOM-ZDUSSCGKSA-N 1 2 223.291 2.607 20 0 BFADLO CC(C)[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846689 388403411 /nfs/dbraw/zinc/40/34/11/388403411.db2.gz JOKPIFQJJOPPOM-ZDUSSCGKSA-N 1 2 223.291 2.607 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C=CC3CC3)cc2[nH+]1 ZINC000492168813 388337313 /nfs/dbraw/zinc/33/73/13/388337313.db2.gz KZFQVUKPYBDXBT-DAXSKMNVSA-N 1 2 241.294 2.776 20 0 BFADLO CCc1nocc1CNc1ccc(C)[nH+]c1 ZINC000339305762 388480783 /nfs/dbraw/zinc/48/07/83/388480783.db2.gz RLTONCKDBYUODY-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(F)F ZINC000515420334 256745505 /nfs/dbraw/zinc/74/55/05/256745505.db2.gz UNCFOQRHYWNDGI-MRVPVSSYSA-N 1 2 239.269 2.696 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)(F)F ZINC000515420334 256745507 /nfs/dbraw/zinc/74/55/07/256745507.db2.gz UNCFOQRHYWNDGI-MRVPVSSYSA-N 1 2 239.269 2.696 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2scnc2c1 ZINC000176969929 388468537 /nfs/dbraw/zinc/46/85/37/388468537.db2.gz OWIQYCJDWXQZJM-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO Cc1c[nH+]c(CNc2ccccc2Cl)n1C ZINC000336721774 388468584 /nfs/dbraw/zinc/46/85/84/388468584.db2.gz DNAHUZRIZMAHJC-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000177155086 388476623 /nfs/dbraw/zinc/47/66/23/388476623.db2.gz ZPHWKOJPZQKGRE-QMTHXVAHSA-N 1 2 247.342 2.522 20 0 BFADLO Cc1ccc(N[C@H]2CSC[C@H]2C)c(C)[nH+]1 ZINC000295686341 388413256 /nfs/dbraw/zinc/41/32/56/388413256.db2.gz LIPJKRWYBCNIFQ-PELKAZGASA-N 1 2 222.357 2.862 20 0 BFADLO Cc1ccc(N[C@@H]2CSC[C@H]2C)c(C)[nH+]1 ZINC000295686342 388413357 /nfs/dbraw/zinc/41/33/57/388413357.db2.gz LIPJKRWYBCNIFQ-PRHODGIISA-N 1 2 222.357 2.862 20 0 BFADLO Cc1cnc(CNc2c[nH+]cc(C)c2)s1 ZINC000295688030 388413820 /nfs/dbraw/zinc/41/38/20/388413820.db2.gz LNHGRKQEIOJUNM-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CN(Cc1cc2ccccc2o1)Cc1[nH]cc[nH+]1 ZINC000175187248 388426497 /nfs/dbraw/zinc/42/64/97/388426497.db2.gz LRUPTJMUZIGFBD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1cc2ccccc2o1)Cc1ncc[nH]1 ZINC000175187248 388426500 /nfs/dbraw/zinc/42/65/00/388426500.db2.gz LRUPTJMUZIGFBD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cc2ccccc2o1)Cc1ncc[nH]1 ZINC000175187248 388426502 /nfs/dbraw/zinc/42/65/02/388426502.db2.gz LRUPTJMUZIGFBD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528518522 388541094 /nfs/dbraw/zinc/54/10/94/388541094.db2.gz GOJXPFZUJGBBRM-SBKJXLNCSA-N 1 2 229.751 2.630 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528518522 388541097 /nfs/dbraw/zinc/54/10/97/388541097.db2.gz GOJXPFZUJGBBRM-SBKJXLNCSA-N 1 2 229.751 2.630 20 0 BFADLO c1ccc2[nH]c(=[NH+]C[C@H]3CCCSC3)[nH]c2c1 ZINC000340940902 388494086 /nfs/dbraw/zinc/49/40/86/388494086.db2.gz SYSVQPXDMBUQBK-SNVBAGLBSA-N 1 2 247.367 2.540 20 0 BFADLO C[C@H]1CC[C@H](CNc2ccc3ccccc3[nH+]2)O1 ZINC000397900586 388509705 /nfs/dbraw/zinc/50/97/05/388509705.db2.gz SBKKCGGXOJWUFQ-WCQYABFASA-N 1 2 242.322 2.636 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2ccc3ccccc3[nH+]2)O1 ZINC000397900590 388509757 /nfs/dbraw/zinc/50/97/57/388509757.db2.gz SBKKCGGXOJWUFQ-YPMHNXCESA-N 1 2 242.322 2.636 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncccc2Cl)C[C@@H]1F ZINC000528438338 388526316 /nfs/dbraw/zinc/52/63/16/388526316.db2.gz JOANNWNWTGAYRF-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@@H]1F ZINC000528438338 388526318 /nfs/dbraw/zinc/52/63/18/388526318.db2.gz JOANNWNWTGAYRF-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000528502411 388535562 /nfs/dbraw/zinc/53/55/62/388535562.db2.gz HUJHMGJNIHXUPQ-DAGBOUIGSA-N 1 2 241.722 2.658 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000528502411 388535566 /nfs/dbraw/zinc/53/55/66/388535566.db2.gz HUJHMGJNIHXUPQ-DAGBOUIGSA-N 1 2 241.722 2.658 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@H]2C)oc1C ZINC000528768889 388570111 /nfs/dbraw/zinc/57/01/11/388570111.db2.gz OWFFCNFFJYHVKU-MRVPVSSYSA-N 1 2 244.285 2.911 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@H]2C)oc1C ZINC000528768889 388570113 /nfs/dbraw/zinc/57/01/13/388570113.db2.gz OWFFCNFFJYHVKU-MRVPVSSYSA-N 1 2 244.285 2.911 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)no1 ZINC000247539979 388666601 /nfs/dbraw/zinc/66/66/01/388666601.db2.gz PARMEZPUCXEDBM-VXGBXAGGSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)no1 ZINC000247539979 388666604 /nfs/dbraw/zinc/66/66/04/388666604.db2.gz PARMEZPUCXEDBM-VXGBXAGGSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H](c1ccccc1F)[NH+]1CCN(C2CC2)CC1 ZINC000125836943 388679690 /nfs/dbraw/zinc/67/96/90/388679690.db2.gz PQPMSHLSSOVMAW-LBPRGKRZSA-N 1 2 248.345 2.667 20 0 BFADLO CSCc1cnc(C[N@@H+]2CCC2(C)C)s1 ZINC000551960892 388649853 /nfs/dbraw/zinc/64/98/53/388649853.db2.gz QYWKCPHVQYQGGG-UHFFFAOYSA-N 1 2 242.413 2.990 20 0 BFADLO CSCc1cnc(C[N@H+]2CCC2(C)C)s1 ZINC000551960892 388649856 /nfs/dbraw/zinc/64/98/56/388649856.db2.gz QYWKCPHVQYQGGG-UHFFFAOYSA-N 1 2 242.413 2.990 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)[C@H]1C ZINC000246718150 388650010 /nfs/dbraw/zinc/65/00/10/388650010.db2.gz LNDOHDYTWFFICS-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)[C@H]1C ZINC000246718150 388650014 /nfs/dbraw/zinc/65/00/14/388650014.db2.gz LNDOHDYTWFFICS-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO CC[NH+](CC)Cc1ncc(Cl)s1 ZINC000307984358 388654540 /nfs/dbraw/zinc/65/45/40/388654540.db2.gz QMHVJIIPRQNLEE-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO Cc1cc(N2[C@@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000530431603 388654789 /nfs/dbraw/zinc/65/47/89/388654789.db2.gz INTGNHFYKUJZIK-QWRGUYRKSA-N 1 2 219.332 2.896 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000530431601 388655421 /nfs/dbraw/zinc/65/54/21/388655421.db2.gz INTGNHFYKUJZIK-GHMZBOCLSA-N 1 2 219.332 2.896 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cn1 ZINC000552043910 388664188 /nfs/dbraw/zinc/66/41/88/388664188.db2.gz GPVPOTQRUVKJGT-MNOVXSKESA-N 1 2 247.346 2.599 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(O)c2)s1 ZINC000552812897 388738034 /nfs/dbraw/zinc/73/80/34/388738034.db2.gz GNNNVNNZEDUWNQ-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(O)c2)s1 ZINC000552812897 388738038 /nfs/dbraw/zinc/73/80/38/388738038.db2.gz GNNNVNNZEDUWNQ-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C2CC2)CC1 ZINC000195216115 388701593 /nfs/dbraw/zinc/70/15/93/388701593.db2.gz JHAAKBQGSCZRKC-LBPRGKRZSA-N 1 2 248.345 2.667 20 0 BFADLO CC[C@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000127235871 388719024 /nfs/dbraw/zinc/71/90/24/388719024.db2.gz KQVVRNWPVNRYID-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000127235871 388719027 /nfs/dbraw/zinc/71/90/27/388719027.db2.gz KQVVRNWPVNRYID-LLVKDONJSA-N 1 2 225.361 2.550 20 0 BFADLO Cc1cc(NC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000341494087 177705870 /nfs/dbraw/zinc/70/58/70/177705870.db2.gz GASQFDKRHLWHIX-UHFFFAOYSA-N 1 2 231.343 2.829 20 0 BFADLO CCc1ccc(CNc2[nH+]cccc2OC)o1 ZINC000540662905 388812731 /nfs/dbraw/zinc/81/27/31/388812731.db2.gz ZNHPDSGBIOWZGY-UHFFFAOYSA-N 1 2 232.283 2.858 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccno2)o1 ZINC000231884779 388844396 /nfs/dbraw/zinc/84/43/96/388844396.db2.gz FQNLNVQJXKPSNZ-SKDRFNHKSA-N 1 2 232.283 2.681 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000540948952 388830343 /nfs/dbraw/zinc/83/03/43/388830343.db2.gz MMBOUQBHFRBHCJ-BXKDBHETSA-N 1 2 234.343 2.741 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000541690919 388865095 /nfs/dbraw/zinc/86/50/95/388865095.db2.gz SPPNZXDYUWZYSE-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO CC[C@@H]1CCC[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565048016 388911280 /nfs/dbraw/zinc/91/12/80/388911280.db2.gz QLJRZQDWISUJFL-UPJWGTAASA-N 1 2 249.358 2.529 20 0 BFADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000565243242 388932101 /nfs/dbraw/zinc/93/21/01/388932101.db2.gz BQRBELOCERVXDM-UWVGGRQHSA-N 1 2 248.355 2.653 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H]1CCCO1 ZINC000153199178 388949980 /nfs/dbraw/zinc/94/99/80/388949980.db2.gz PABXEPFPRXPBEN-RYUDHWBXSA-N 1 2 249.358 2.970 20 0 BFADLO CC(C)c1nc([C@H](C)[NH2+]CCF)cs1 ZINC000275169742 389054356 /nfs/dbraw/zinc/05/43/56/389054356.db2.gz KUUKUUXSQDHANZ-QMMMGPOBSA-N 1 2 216.325 2.887 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccncc2)s1 ZINC000273454329 389040983 /nfs/dbraw/zinc/04/09/83/389040983.db2.gz AHFLNCNQFTXUBW-IUCAKERBSA-N 1 2 248.355 2.653 20 0 BFADLO CC[N@H+](Cc1ccc(Cl)s1)C1COC1 ZINC000347715120 136002833 /nfs/dbraw/zinc/00/28/33/136002833.db2.gz FMZLNCTYNIDVMW-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CC[N@@H+](Cc1ccc(Cl)s1)C1COC1 ZINC000347715120 136002834 /nfs/dbraw/zinc/00/28/34/136002834.db2.gz FMZLNCTYNIDVMW-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CC[C@@H]1C[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000301272040 171142105 /nfs/dbraw/zinc/14/21/05/171142105.db2.gz HWVYDVDQQDRPNQ-NXEZZACHSA-N 1 2 205.305 2.810 20 0 BFADLO CSCCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219038 533565953 /nfs/dbraw/zinc/56/59/53/533565953.db2.gz GXPDXDSARWAWEN-SECBINFHSA-N 1 2 223.332 2.717 20 0 BFADLO CSCCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219038 533565955 /nfs/dbraw/zinc/56/59/55/533565955.db2.gz GXPDXDSARWAWEN-SECBINFHSA-N 1 2 223.332 2.717 20 0 BFADLO Cc1nc(N2CCC[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000266221220 132185155 /nfs/dbraw/zinc/18/51/55/132185155.db2.gz HUFINYMALOGULZ-NWDGAFQWSA-N 1 2 217.316 2.554 20 0 BFADLO C[C@@H]1CC[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000266511616 132187502 /nfs/dbraw/zinc/18/75/02/132187502.db2.gz XSOIKACWZWYTKI-WDEREUQCSA-N 1 2 231.343 2.979 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000272134602 132200208 /nfs/dbraw/zinc/20/02/08/132200208.db2.gz KXEUZZSQNAYASQ-VXGBXAGGSA-N 1 2 248.370 2.904 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000272134602 132200209 /nfs/dbraw/zinc/20/02/09/132200209.db2.gz KXEUZZSQNAYASQ-VXGBXAGGSA-N 1 2 248.370 2.904 20 0 BFADLO Cc1nc(N2CCC=C(F)C2)c2c([nH+]1)CCCC2 ZINC000274281927 132202467 /nfs/dbraw/zinc/20/24/67/132202467.db2.gz IAXUSTHRWGWUFV-UHFFFAOYSA-N 1 2 247.317 2.727 20 0 BFADLO c1ccc(N2CCC[C@@]3(CCSC3)C2)[nH+]c1 ZINC000336276777 132246568 /nfs/dbraw/zinc/24/65/68/132246568.db2.gz FLQXVLMNUASPHO-CYBMUJFWSA-N 1 2 234.368 2.805 20 0 BFADLO F[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000336480136 132247867 /nfs/dbraw/zinc/24/78/67/132247867.db2.gz NIDRSQDNUFZSSP-SNVBAGLBSA-N 1 2 231.274 2.568 20 0 BFADLO CC[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000301243154 132252132 /nfs/dbraw/zinc/25/21/32/132252132.db2.gz GSXZHQKMJDMMRG-LLVKDONJSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1cc(N2CCC3(CCCC3)CC2)nc[nH+]1 ZINC000301342703 132253067 /nfs/dbraw/zinc/25/30/67/132253067.db2.gz FUUTUUHLIYIJFY-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO C[C@@H]1CCCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301837792 132258275 /nfs/dbraw/zinc/25/82/75/132258275.db2.gz WHDJXZKAERIBQL-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CCCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000301837792 132258277 /nfs/dbraw/zinc/25/82/77/132258277.db2.gz WHDJXZKAERIBQL-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000359027835 132275981 /nfs/dbraw/zinc/27/59/81/132275981.db2.gz IIGCBKKQZKOLAI-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CC1(CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000359027835 132275983 /nfs/dbraw/zinc/27/59/83/132275983.db2.gz IIGCBKKQZKOLAI-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC(C)=C(C)C2)[nH+]1 ZINC000360275396 132278657 /nfs/dbraw/zinc/27/86/57/132278657.db2.gz RAZXKFXOCFNCFV-UHFFFAOYSA-N 1 2 242.326 2.813 20 0 BFADLO Cc1cc(N2CCO[C@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000360869911 132279241 /nfs/dbraw/zinc/27/92/41/132279241.db2.gz HEWHKPPHYJADGB-VXGBXAGGSA-N 1 2 249.358 2.522 20 0 BFADLO Cc1cc(N2CCO[C@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000360869909 132279438 /nfs/dbraw/zinc/27/94/38/132279438.db2.gz HEWHKPPHYJADGB-NWDGAFQWSA-N 1 2 249.358 2.522 20 0 BFADLO FC(F)n1ccc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000351941017 134014857 /nfs/dbraw/zinc/01/48/57/134014857.db2.gz LSMKPIXBWQCLQN-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO FC(F)n1ccc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000351941017 134014858 /nfs/dbraw/zinc/01/48/58/134014858.db2.gz LSMKPIXBWQCLQN-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000335947508 134020704 /nfs/dbraw/zinc/02/07/04/134020704.db2.gz ROQQHTCFIRQOCE-WDEREUQCSA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000335947508 134020705 /nfs/dbraw/zinc/02/07/05/134020705.db2.gz ROQQHTCFIRQOCE-WDEREUQCSA-N 1 2 238.331 2.543 20 0 BFADLO CC1(C)C[N@H+](Cc2cccc(F)c2F)CCO1 ZINC000351971939 134025016 /nfs/dbraw/zinc/02/50/16/134025016.db2.gz HNNZFVWIMFWMKY-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)C[N@@H+](Cc2cccc(F)c2F)CCO1 ZINC000351971939 134025017 /nfs/dbraw/zinc/02/50/17/134025017.db2.gz HNNZFVWIMFWMKY-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]1CCCC[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000336031712 134058854 /nfs/dbraw/zinc/05/88/54/134058854.db2.gz IYGWCPOOSRMEEG-WDEREUQCSA-N 1 2 246.314 2.608 20 0 BFADLO Fc1ccc2cc[nH+]c(N[C@H]3CCCOC3)c2c1 ZINC000336034072 134059142 /nfs/dbraw/zinc/05/91/42/134059142.db2.gz MJHKOMRROYLIKO-LBPRGKRZSA-N 1 2 246.285 2.965 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC12CCCCC2 ZINC000336075848 134072979 /nfs/dbraw/zinc/07/29/79/134072979.db2.gz VRSFLLAVZSCMMX-GFCCVEGCSA-N 1 2 244.338 2.721 20 0 BFADLO CC[C@@H]1CCN1c1cc[nH+]c(C(C)C)n1 ZINC000336094736 134079831 /nfs/dbraw/zinc/07/98/31/134079831.db2.gz LCJZYPKWWQTCNO-SNVBAGLBSA-N 1 2 205.305 2.589 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C[C@H]3C[C@@H]3C)cc2[nH+]1 ZINC000352144602 134082096 /nfs/dbraw/zinc/08/20/96/134082096.db2.gz ALLUATIVLFFZMI-WCBMZHEXSA-N 1 2 243.310 2.856 20 0 BFADLO C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)CC1(F)F ZINC000336104935 134084649 /nfs/dbraw/zinc/08/46/49/134084649.db2.gz HEJBUNQWRLUNRC-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)CC1(F)F ZINC000336104935 134084650 /nfs/dbraw/zinc/08/46/50/134084650.db2.gz HEJBUNQWRLUNRC-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336113468 134087204 /nfs/dbraw/zinc/08/72/04/134087204.db2.gz SKXIULROJUMOJK-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336113468 134087205 /nfs/dbraw/zinc/08/72/05/134087205.db2.gz SKXIULROJUMOJK-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO Cc1ncc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000336147110 134102594 /nfs/dbraw/zinc/10/25/94/134102594.db2.gz AMMRAAXMJXCGMI-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)s1 ZINC000336147110 134102595 /nfs/dbraw/zinc/10/25/95/134102595.db2.gz AMMRAAXMJXCGMI-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)s1 ZINC000336147110 134102596 /nfs/dbraw/zinc/10/25/96/134102596.db2.gz AMMRAAXMJXCGMI-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO COC(=O)CCC[N@H+](C)c1cc(C)ccc1C ZINC000172075174 134261447 /nfs/dbraw/zinc/26/14/47/134261447.db2.gz YJAJZXHDZKPYSO-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO COC(=O)CCC[N@@H+](C)c1cc(C)ccc1C ZINC000172075174 134261448 /nfs/dbraw/zinc/26/14/48/134261448.db2.gz YJAJZXHDZKPYSO-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2c1cccc2F ZINC000184040924 134356134 /nfs/dbraw/zinc/35/61/34/134356134.db2.gz KMTTZOQQYQMWJU-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO Clc1ccc2[nH+]c(CNc3ccon3)cn2c1 ZINC000184248825 134361071 /nfs/dbraw/zinc/36/10/71/134361071.db2.gz YLVBENMICJOEMS-UHFFFAOYSA-N 1 2 248.673 2.588 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000227768853 134392914 /nfs/dbraw/zinc/39/29/14/134392914.db2.gz OYQGREIWEHERQQ-FZMZJTMJSA-N 1 2 247.338 2.597 20 0 BFADLO CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048809709 134625810 /nfs/dbraw/zinc/62/58/10/134625810.db2.gz WKHZROKTHOYAEP-UHFFFAOYSA-N 1 2 247.273 2.750 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149569 135013702 /nfs/dbraw/zinc/01/37/02/135013702.db2.gz LQFVDTDVKVTUOO-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149569 135013704 /nfs/dbraw/zinc/01/37/04/135013704.db2.gz LQFVDTDVKVTUOO-ZJUUUORDSA-N 1 2 235.331 2.567 20 0 BFADLO CC1(C)C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000073871179 135078550 /nfs/dbraw/zinc/07/85/50/135078550.db2.gz CTYDGPHBEZEVRV-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000073871179 135078551 /nfs/dbraw/zinc/07/85/51/135078551.db2.gz CTYDGPHBEZEVRV-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)C[C@H]1C ZINC000251951076 135081255 /nfs/dbraw/zinc/08/12/55/135081255.db2.gz WVHBSODTRPMWER-IWSPIJDZSA-N 1 2 209.255 2.963 20 0 BFADLO Cc1noc(C)c1[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000078678900 135131399 /nfs/dbraw/zinc/13/13/99/135131399.db2.gz LEIMSFMXKXPEIJ-QMMMGPOBSA-N 1 2 232.287 2.563 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000079046617 135268052 /nfs/dbraw/zinc/26/80/52/135268052.db2.gz LHSVXOTUSOZWNL-DGCLKSJQSA-N 1 2 245.326 2.553 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@@H](C)c2ccco2)n1C ZINC000342795039 135319540 /nfs/dbraw/zinc/31/95/40/135319540.db2.gz VVFJBJYVBKCFDA-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3ccc(F)cc32)CCO1 ZINC000334223414 135329249 /nfs/dbraw/zinc/32/92/49/135329249.db2.gz XDCHLQXPZGOKEX-SNVBAGLBSA-N 1 2 246.285 2.599 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343152976 135366719 /nfs/dbraw/zinc/36/67/19/135366719.db2.gz JFNJHVULIOFCHY-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343152976 135366720 /nfs/dbraw/zinc/36/67/20/135366720.db2.gz JFNJHVULIOFCHY-VXGBXAGGSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)n1 ZINC000080271868 135368361 /nfs/dbraw/zinc/36/83/61/135368361.db2.gz UIRMUZFCEHQECE-VHSXEESVSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000306278501 135369937 /nfs/dbraw/zinc/36/99/37/135369937.db2.gz QMBVSHZLRTUPQF-PSASIEDQSA-N 1 2 203.276 2.952 20 0 BFADLO C[N@H+](CCc1ccccc1)CC(=O)OC(C)(C)C ZINC000076710444 135390885 /nfs/dbraw/zinc/39/08/85/135390885.db2.gz GTNLBDXPICUOOH-UHFFFAOYSA-N 1 2 249.354 2.503 20 0 BFADLO C[N@@H+](CCc1ccccc1)CC(=O)OC(C)(C)C ZINC000076710444 135390887 /nfs/dbraw/zinc/39/08/87/135390887.db2.gz GTNLBDXPICUOOH-UHFFFAOYSA-N 1 2 249.354 2.503 20 0 BFADLO CC[C@H](COC)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079708299 135397406 /nfs/dbraw/zinc/39/74/06/135397406.db2.gz GLWOODVLBKVKRB-GFCCVEGCSA-N 1 2 245.326 2.709 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)cc1F ZINC000090169813 135546262 /nfs/dbraw/zinc/54/62/62/135546262.db2.gz UCXITAVSUISRIP-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCOC[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803297 135554361 /nfs/dbraw/zinc/55/43/61/135554361.db2.gz KACPOQYQAAJOAF-MRVPVSSYSA-N 1 2 248.248 2.937 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CC[C@H]2C(C)C)nn1C ZINC000334983765 135857885 /nfs/dbraw/zinc/85/78/85/135857885.db2.gz AZSYHEVHTIZUIT-NSHDSACASA-N 1 2 241.766 2.612 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CC[C@H]2C(C)C)nn1C ZINC000334983765 135857886 /nfs/dbraw/zinc/85/78/86/135857886.db2.gz AZSYHEVHTIZUIT-NSHDSACASA-N 1 2 241.766 2.612 20 0 BFADLO Cc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)o1 ZINC000335056571 135875506 /nfs/dbraw/zinc/87/55/06/135875506.db2.gz HRQIXWLFVSEYNR-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO CC[N@H+](Cc1cnns1)Cc1ccccc1 ZINC000347724775 136003818 /nfs/dbraw/zinc/00/38/18/136003818.db2.gz VJAVELAWCZVPCE-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cnns1)Cc1ccccc1 ZINC000347724775 136003819 /nfs/dbraw/zinc/00/38/19/136003819.db2.gz VJAVELAWCZVPCE-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC1CC[NH+](Cc2ccn(C(F)F)n2)CC1 ZINC000347706570 136007924 /nfs/dbraw/zinc/00/79/24/136007924.db2.gz QJTHFVBFOMYSGL-UHFFFAOYSA-N 1 2 229.274 2.510 20 0 BFADLO CC(C)(C)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000348009949 136021159 /nfs/dbraw/zinc/02/11/59/136021159.db2.gz VZSCYXALEDHEIW-LLVKDONJSA-N 1 2 249.358 2.900 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC=C(F)C1 ZINC000335336771 136056180 /nfs/dbraw/zinc/05/61/80/136056180.db2.gz PIFKFQIUHSKFDW-UHFFFAOYSA-N 1 2 231.274 2.637 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000348258355 136057951 /nfs/dbraw/zinc/05/79/51/136057951.db2.gz AJPLEZYDTWESSW-MRVWCRGKSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000335343890 136065044 /nfs/dbraw/zinc/06/50/44/136065044.db2.gz CUSZRFOZJVXKHM-ZDUSSCGKSA-N 1 2 244.338 2.887 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)CCO1 ZINC000335347886 136067656 /nfs/dbraw/zinc/06/76/56/136067656.db2.gz CQLWPCYSVVKBQY-SNVBAGLBSA-N 1 2 246.285 2.599 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccncc2F)C1 ZINC000335360172 136080353 /nfs/dbraw/zinc/08/03/53/136080353.db2.gz UPARUTCEWDVXFX-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000335360172 136080354 /nfs/dbraw/zinc/08/03/54/136080354.db2.gz UPARUTCEWDVXFX-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000335361822 136081115 /nfs/dbraw/zinc/08/11/15/136081115.db2.gz ZYUQYOGQSKQOCU-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000335361822 136081116 /nfs/dbraw/zinc/08/11/16/136081116.db2.gz ZYUQYOGQSKQOCU-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO Cc1ccc2c(c1)[N@@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000335547353 136097096 /nfs/dbraw/zinc/09/70/96/136097096.db2.gz FJMYWSCQWJYAKZ-XBXGTLAGSA-N 1 2 231.339 2.519 20 0 BFADLO Cc1ccc2c(c1)[N@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000335547353 136097097 /nfs/dbraw/zinc/09/70/97/136097097.db2.gz FJMYWSCQWJYAKZ-XBXGTLAGSA-N 1 2 231.339 2.519 20 0 BFADLO CCOc1ccccc1N(C)Cc1[nH]cc(C)[nH+]1 ZINC000628244176 397732723 /nfs/dbraw/zinc/73/27/23/397732723.db2.gz VQZZBNBEUGIYSA-UHFFFAOYSA-N 1 2 245.326 2.753 20 0 BFADLO c1n[nH]c([C@@H]([NH2+]CCC2CC2)C2CCCCC2)n1 ZINC000644537980 397837317 /nfs/dbraw/zinc/83/73/17/397837317.db2.gz JKUFVEIWXOEFKU-ZDUSSCGKSA-N 1 2 248.374 2.816 20 0 BFADLO Cc1ccc(N(C)Cc2c[nH+]cn2C)c(C)c1 ZINC000177016795 397839622 /nfs/dbraw/zinc/83/96/22/397839622.db2.gz XAHQUBUPLVOHQL-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO CCC[N@H+](C[C@@H](F)CC)[C@@H](CC)C(=O)OCC ZINC000440527859 397931528 /nfs/dbraw/zinc/93/15/28/397931528.db2.gz UBKOFMQMWITREO-RYUDHWBXSA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@@H+](C[C@@H](F)CC)[C@@H](CC)C(=O)OCC ZINC000440527859 397931532 /nfs/dbraw/zinc/93/15/32/397931532.db2.gz UBKOFMQMWITREO-RYUDHWBXSA-N 1 2 247.354 2.788 20 0 BFADLO CCN(CCOC)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267381030 397947400 /nfs/dbraw/zinc/94/74/00/397947400.db2.gz LNJHAFHLLPXRMU-UHFFFAOYSA-N 1 2 248.248 2.573 20 0 BFADLO CCO[C@@H]1CCCC[C@H]1Nc1cc(CC)[nH+]cn1 ZINC000649556870 397950059 /nfs/dbraw/zinc/95/00/59/397950059.db2.gz XRQGUIUHNWZCPN-CHWSQXEVSA-N 1 2 249.358 2.799 20 0 BFADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)CC1CCC1 ZINC000111295974 397907191 /nfs/dbraw/zinc/90/71/91/397907191.db2.gz RLMCCAHZVSMQHS-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO C[N@H+](Cc1noc(C(C)(C)C)n1)CC1CCC1 ZINC000111295974 397907193 /nfs/dbraw/zinc/90/71/93/397907193.db2.gz RLMCCAHZVSMQHS-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CC(C)CCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493861673 397990785 /nfs/dbraw/zinc/99/07/85/397990785.db2.gz XKGFTWDBECMAQF-GUOLPTJISA-N 1 2 249.358 2.754 20 0 BFADLO CCc1nn(C)cc1CNc1c[nH+]ccc1CC ZINC000650243249 398005000 /nfs/dbraw/zinc/00/50/00/398005000.db2.gz QPOVSTMXWKRVST-UHFFFAOYSA-N 1 2 244.342 2.552 20 0 BFADLO CCc1cc[nH+]cc1NCc1cccn1C ZINC000650243083 398005238 /nfs/dbraw/zinc/00/52/38/398005238.db2.gz JTUMXLBKCBXFNM-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO CCc1cc[nH+]cc1NCc1cncs1 ZINC000650243374 398006363 /nfs/dbraw/zinc/00/63/63/398006363.db2.gz WNAIODDAKKSHJM-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO COCc1cc[nH+]c(NCc2cccs2)c1 ZINC000650244775 398007278 /nfs/dbraw/zinc/00/72/78/398007278.db2.gz OXZITQKQSKLIQM-UHFFFAOYSA-N 1 2 234.324 2.902 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000276426839 398022962 /nfs/dbraw/zinc/02/29/62/398022962.db2.gz YDBQSWMGANGVIA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000276426839 398022964 /nfs/dbraw/zinc/02/29/64/398022964.db2.gz YDBQSWMGANGVIA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000278582282 398038953 /nfs/dbraw/zinc/03/89/53/398038953.db2.gz KGIXTRYYJRQXTJ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)n1 ZINC000278582282 398038954 /nfs/dbraw/zinc/03/89/54/398038954.db2.gz KGIXTRYYJRQXTJ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2CCCC(F)(F)C2)O1 ZINC000649695471 398044119 /nfs/dbraw/zinc/04/41/19/398044119.db2.gz WJEAPEZFZRIBDV-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2CCCC(F)(F)C2)O1 ZINC000649695471 398044123 /nfs/dbraw/zinc/04/41/23/398044123.db2.gz WJEAPEZFZRIBDV-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccon2)o1 ZINC000336734303 398059541 /nfs/dbraw/zinc/05/95/41/398059541.db2.gz HFPSGRUDBSUNNY-ZJUUUORDSA-N 1 2 220.272 2.988 20 0 BFADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H](C)C1(F)F ZINC000624444632 398092339 /nfs/dbraw/zinc/09/23/39/398092339.db2.gz IUVVEGOPIUEJJJ-NXEZZACHSA-N 1 2 226.270 2.809 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(F)F ZINC000389930659 398062915 /nfs/dbraw/zinc/06/29/15/398062915.db2.gz ZYZATLYTPXGEKA-LURJTMIESA-N 1 2 221.197 2.708 20 0 BFADLO CS[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000295047917 398131432 /nfs/dbraw/zinc/13/14/32/398131432.db2.gz UEJSLPWTAOJAAW-LLVKDONJSA-N 1 2 249.383 2.604 20 0 BFADLO COCCC[C@@H](C)[NH2+][C@H](C(C)C)C(F)(F)F ZINC000336760395 174261673 /nfs/dbraw/zinc/26/16/73/174261673.db2.gz JQIUUDOJZSQKMV-NXEZZACHSA-N 1 2 241.297 2.978 20 0 BFADLO CC1(C)CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000094805916 487558950 /nfs/dbraw/zinc/55/89/50/487558950.db2.gz ZTWZFCQTSRRSEW-UHFFFAOYSA-N 1 2 235.302 2.740 20 0 BFADLO CC1(C)CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000094805916 487558957 /nfs/dbraw/zinc/55/89/57/487558957.db2.gz ZTWZFCQTSRRSEW-UHFFFAOYSA-N 1 2 235.302 2.740 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000685613369 487564178 /nfs/dbraw/zinc/56/41/78/487564178.db2.gz NICXRNAIINTAQQ-CABZTGNLSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000685613369 487564182 /nfs/dbraw/zinc/56/41/82/487564182.db2.gz NICXRNAIINTAQQ-CABZTGNLSA-N 1 2 245.326 2.724 20 0 BFADLO Cn1c[nH+]cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000674373103 487568633 /nfs/dbraw/zinc/56/86/33/487568633.db2.gz VZWIBZDJWIADKV-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1ccc(C)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492950356 533676396 /nfs/dbraw/zinc/67/63/96/533676396.db2.gz KSYBDEYMYNDBQL-AATRIKPKSA-N 1 2 241.294 2.678 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000685838640 487583652 /nfs/dbraw/zinc/58/36/52/487583652.db2.gz MTERMYWIFZAKRH-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000685838640 487583656 /nfs/dbraw/zinc/58/36/56/487583656.db2.gz MTERMYWIFZAKRH-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO CC[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)OC ZINC000685929086 487598234 /nfs/dbraw/zinc/59/82/34/487598234.db2.gz IFHTZINOEXQEAO-SNVBAGLBSA-N 1 2 237.347 2.611 20 0 BFADLO C[C@H](CNc1cc[nH+]c2ccncc12)C1CC1 ZINC000674746669 487609056 /nfs/dbraw/zinc/60/90/56/487609056.db2.gz CUDXJWPPPYPKCZ-SNVBAGLBSA-N 1 2 227.311 2.510 20 0 BFADLO C[C@]1(C(F)F)C[N@H+](Cc2ccsc2)CCO1 ZINC000662369687 409678274 /nfs/dbraw/zinc/67/82/74/409678274.db2.gz WNRTVOWNORWKGX-LLVKDONJSA-N 1 2 247.310 2.604 20 0 BFADLO C[C@]1(C(F)F)C[N@@H+](Cc2ccsc2)CCO1 ZINC000662369687 409678278 /nfs/dbraw/zinc/67/82/78/409678278.db2.gz WNRTVOWNORWKGX-LLVKDONJSA-N 1 2 247.310 2.604 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC(F)(F)C1)C1CCC1 ZINC000660913856 409962792 /nfs/dbraw/zinc/96/27/92/409962792.db2.gz WBEVKGIWYVVQET-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@H](C[N@H+]1CCCC(F)(F)C1)C1CCC1 ZINC000660913856 409962797 /nfs/dbraw/zinc/96/27/97/409962797.db2.gz WBEVKGIWYVVQET-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CCn1cc(CNc2[nH+]cccc2SC)cn1 ZINC000651970593 409940177 /nfs/dbraw/zinc/94/01/77/409940177.db2.gz CCWLBTPRMPKVLI-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CSc1ccc[nH+]c1NC[C@@H]1C[C@H]1C ZINC000651971359 409943761 /nfs/dbraw/zinc/94/37/61/409943761.db2.gz BMJDNLYJPNHPHD-BDAKNGLRSA-N 1 2 208.330 2.871 20 0 BFADLO CSc1ccc[nH+]c1NCc1conc1C ZINC000651971625 409943827 /nfs/dbraw/zinc/94/38/27/409943827.db2.gz NVHBPZMIYCEJDC-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO CC[C@H](C)[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000661105968 410246763 /nfs/dbraw/zinc/24/67/63/410246763.db2.gz HKMOPGXZSCZJJD-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@H](C)[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000661105968 410246771 /nfs/dbraw/zinc/24/67/71/410246771.db2.gz HKMOPGXZSCZJJD-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H](C)[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000661105966 410247558 /nfs/dbraw/zinc/24/75/58/410247558.db2.gz HKMOPGXZSCZJJD-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H](C)[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000661105966 410247567 /nfs/dbraw/zinc/24/75/67/410247567.db2.gz HKMOPGXZSCZJJD-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO Brc1ccsc1Cn1cc[nH+]c1 ZINC000043503182 166105067 /nfs/dbraw/zinc/10/50/67/166105067.db2.gz HKVGCCVOYZGCAJ-UHFFFAOYSA-N 1 2 243.129 2.755 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000663945585 410394637 /nfs/dbraw/zinc/39/46/37/410394637.db2.gz GDJXSIPUZNHHJG-WCBMZHEXSA-N 1 2 217.316 2.507 20 0 BFADLO CC(C)(F)CCNc1cc[nH+]c2ccncc12 ZINC000664370836 410571526 /nfs/dbraw/zinc/57/15/26/410571526.db2.gz MESUPSTYXJKCBN-UHFFFAOYSA-N 1 2 233.290 2.602 20 0 BFADLO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000664280653 410550127 /nfs/dbraw/zinc/55/01/27/410550127.db2.gz HFRZZUWOKVYJOM-HAQNSBGRSA-N 1 2 247.342 2.642 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661415278 410629057 /nfs/dbraw/zinc/62/90/57/410629057.db2.gz XNXRDFAVZQDNGI-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661415278 410629064 /nfs/dbraw/zinc/62/90/64/410629064.db2.gz XNXRDFAVZQDNGI-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)CCC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000330990350 166795800 /nfs/dbraw/zinc/79/58/00/166795800.db2.gz HEGFMPNOXZEOPU-LBPRGKRZSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1ccc(CN(C)c2cc(CO)cc[nH+]2)cc1 ZINC000040864986 410896230 /nfs/dbraw/zinc/89/62/30/410896230.db2.gz JHLRJXWGEGDEFB-UHFFFAOYSA-N 1 2 242.322 2.519 20 0 BFADLO CC(C)OCCCNc1cc[nH+]c(C(C)C)n1 ZINC000301229010 167226268 /nfs/dbraw/zinc/22/62/68/167226268.db2.gz GOKSLSUBMKIFIS-UHFFFAOYSA-N 1 2 237.347 2.827 20 0 BFADLO CC(C)O[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000337558414 167282921 /nfs/dbraw/zinc/28/29/21/167282921.db2.gz SWDCJZOCVWMJEJ-ZJUUUORDSA-N 1 2 247.329 2.966 20 0 BFADLO CC(C)Oc1cccc(C[NH2+]CC(F)F)c1 ZINC000147376909 167306677 /nfs/dbraw/zinc/30/66/77/167306677.db2.gz HMDRVQCZDQQGFI-UHFFFAOYSA-N 1 2 229.270 2.829 20 0 BFADLO CC(C)[C@@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000338973039 167369228 /nfs/dbraw/zinc/36/92/28/167369228.db2.gz PNAJHZFOYRPZPE-SNVBAGLBSA-N 1 2 239.363 2.843 20 0 BFADLO CC(C)[C@@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000338973039 167369230 /nfs/dbraw/zinc/36/92/30/167369230.db2.gz PNAJHZFOYRPZPE-SNVBAGLBSA-N 1 2 239.363 2.843 20 0 BFADLO CCc1cc(NC2(C3(C)CC3)CC2)nc[nH+]1 ZINC000398229744 410950162 /nfs/dbraw/zinc/95/01/62/410950162.db2.gz XREDRIKJHJJQNA-UHFFFAOYSA-N 1 2 217.316 2.784 20 0 BFADLO CCc1cc(N2CCC23CCCC3)nc(C)[nH+]1 ZINC000651373806 410959358 /nfs/dbraw/zinc/95/93/58/410959358.db2.gz RQAQCGDPAWRBGG-UHFFFAOYSA-N 1 2 231.343 2.870 20 0 BFADLO Cc1cccc(CN(C)c2cc(CO)cc[nH+]2)c1 ZINC000042435855 411006779 /nfs/dbraw/zinc/00/67/79/411006779.db2.gz VIQZZJZSQCHIRL-UHFFFAOYSA-N 1 2 242.322 2.519 20 0 BFADLO Cc1cc(NC2CC3(CCC3)C2)nc[nH+]1 ZINC000651473217 411055763 /nfs/dbraw/zinc/05/57/63/411055763.db2.gz BURMVFQGAIGOKI-UHFFFAOYSA-N 1 2 203.289 2.530 20 0 BFADLO CCC(C)(C)OCC[NH2+][C@@H](C)c1cn[nH]c1C ZINC000651498978 411072722 /nfs/dbraw/zinc/07/27/22/411072722.db2.gz SYWKSNKIKITQKK-JTQLQIEISA-N 1 2 239.363 2.574 20 0 BFADLO CCc1cccc(C[NH2+]Cc2ncc(C)o2)c1 ZINC000651778616 411143251 /nfs/dbraw/zinc/14/32/51/411143251.db2.gz DUNLSNGMEBPHGI-UHFFFAOYSA-N 1 2 230.311 2.835 20 0 BFADLO COC[C@H](CC(C)(C)C)Nc1cccc[nH+]1 ZINC000652174111 411164447 /nfs/dbraw/zinc/16/44/47/411164447.db2.gz IUHSIKAIOQHBBV-NSHDSACASA-N 1 2 222.332 2.945 20 0 BFADLO COCc1cc[nH+]c(NC[C@H]2CC=CCC2)c1 ZINC000652068504 411104867 /nfs/dbraw/zinc/10/48/67/411104867.db2.gz FXFGTZQBPRPXNJ-LBPRGKRZSA-N 1 2 232.327 2.996 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000652068208 411105063 /nfs/dbraw/zinc/10/50/63/411105063.db2.gz VZVYCMPCHQHSLE-YNEHKIRRSA-N 1 2 232.327 2.829 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000045752000 411248550 /nfs/dbraw/zinc/24/85/50/411248550.db2.gz VOXHNSDBPRDBNQ-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000045752000 411248554 /nfs/dbraw/zinc/24/85/54/411248554.db2.gz VOXHNSDBPRDBNQ-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1F ZINC000653791509 411178794 /nfs/dbraw/zinc/17/87/94/411178794.db2.gz YYUHUOJCTLCORP-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCCSCC1 ZINC000657953649 411180004 /nfs/dbraw/zinc/18/00/04/411180004.db2.gz DSSIIZFDBBRWKQ-JTQLQIEISA-N 1 2 238.356 2.788 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1nc[nH+]c(C)c1OC ZINC000656127694 411183267 /nfs/dbraw/zinc/18/32/67/411183267.db2.gz WSQGDFGKAREZPQ-IUCAKERBSA-N 1 2 223.320 2.640 20 0 BFADLO CC[C@]1(C)CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656129813 411183957 /nfs/dbraw/zinc/18/39/57/411183957.db2.gz AQNOVRAITCQQPK-CQSZACIVSA-N 1 2 249.358 2.810 20 0 BFADLO CCC1(CC)CCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656145729 411185962 /nfs/dbraw/zinc/18/59/62/411185962.db2.gz SSVKYARCLSIKJI-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)C[C@@H](C)C1 ZINC000656149644 411186687 /nfs/dbraw/zinc/18/66/87/411186687.db2.gz GHUAQYPSMZLVKJ-WDEREUQCSA-N 1 2 249.358 2.666 20 0 BFADLO CCOC1CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000658014805 411197720 /nfs/dbraw/zinc/19/77/20/411197720.db2.gz YEBVAERZLZMCOS-IDKOKCKLSA-N 1 2 239.281 2.875 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2nccs2)c1 ZINC000652330521 411202308 /nfs/dbraw/zinc/20/23/08/411202308.db2.gz ILPLWPSDLFXJBX-VIFPVBQESA-N 1 2 249.339 2.858 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC(C(C)(C)C)C1 ZINC000656198744 411202690 /nfs/dbraw/zinc/20/26/90/411202690.db2.gz HNCLYOSGXOZEST-UHFFFAOYSA-N 1 2 219.332 2.576 20 0 BFADLO C[N@H+](Cc1cc(C2CC2)no1)Cc1cccnc1 ZINC000660126742 411245448 /nfs/dbraw/zinc/24/54/48/411245448.db2.gz VAKXERQNWXXBSR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1cccnc1 ZINC000660126742 411245455 /nfs/dbraw/zinc/24/54/55/411245455.db2.gz VAKXERQNWXXBSR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO CCN(CC)c1ccc(N[C@H]2CCO[C@@H]2C)c[nH+]1 ZINC000134125548 169804239 /nfs/dbraw/zinc/80/42/39/169804239.db2.gz SFTKLQUOFGFPCA-YPMHNXCESA-N 1 2 249.358 2.517 20 0 BFADLO Cc1cc(N[C@H](C2CC2)[C@@H]2CCCCO2)nc[nH+]1 ZINC000656208564 411209107 /nfs/dbraw/zinc/20/91/07/411209107.db2.gz NSLGFFGSVPVWIK-GXTWGEPZSA-N 1 2 247.342 2.545 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ccnc32)o1 ZINC000655683154 411223765 /nfs/dbraw/zinc/22/37/65/411223765.db2.gz PERMSHAMAGURLM-RYUDHWBXSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)CCC(C)C)[nH+]1 ZINC000652409112 411230785 /nfs/dbraw/zinc/23/07/85/411230785.db2.gz JUADAGTVZOFPAL-UHFFFAOYSA-N 1 2 237.347 2.506 20 0 BFADLO Fc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655690233 411234216 /nfs/dbraw/zinc/23/42/16/411234216.db2.gz IXQRIHNSUNIVJE-CYBMUJFWSA-N 1 2 245.301 2.647 20 0 BFADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658151555 411266305 /nfs/dbraw/zinc/26/63/05/411266305.db2.gz JMXIWTXFCNTKRW-CBAPKCEASA-N 1 2 236.344 2.586 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cscn1 ZINC000658151125 411266333 /nfs/dbraw/zinc/26/63/33/411266333.db2.gz DOEMQGUTKYDRKT-NXEZZACHSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658151553 411266366 /nfs/dbraw/zinc/26/63/66/411266366.db2.gz JMXIWTXFCNTKRW-APPZFPTMSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000658152057 411267915 /nfs/dbraw/zinc/26/79/15/411267915.db2.gz OTQBSWGNGPGAPP-WPRPVWTQSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C)CC=CC1 ZINC000654071099 411328037 /nfs/dbraw/zinc/32/80/37/411328037.db2.gz XLNAXCITNAQTRL-UHFFFAOYSA-N 1 2 245.326 2.929 20 0 BFADLO Fc1cnccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000656688078 411328951 /nfs/dbraw/zinc/32/89/51/411328951.db2.gz FPFVIESIFGXXGU-UHFFFAOYSA-N 1 2 248.223 2.605 20 0 BFADLO CO[C@](C)(CNc1ccc(C)[nH+]c1)C1CC1 ZINC000653469053 411289935 /nfs/dbraw/zinc/28/99/35/411289935.db2.gz MUCSEVISSRDCCW-CYBMUJFWSA-N 1 2 220.316 2.617 20 0 BFADLO CO[C@H](CNc1c[nH+]cc(C)c1)CC(C)C ZINC000653469243 411290203 /nfs/dbraw/zinc/29/02/03/411290203.db2.gz SWHNMLVGIUYQGE-ZDUSSCGKSA-N 1 2 222.332 2.863 20 0 BFADLO COCC1(CNc2c[nH+]cc(C)c2)CCC1 ZINC000653470069 411291631 /nfs/dbraw/zinc/29/16/31/411291631.db2.gz SVMWOSWBORIYHP-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3C2)c(C)o1 ZINC000659813410 411300482 /nfs/dbraw/zinc/30/04/82/411300482.db2.gz HGHZZQXVARYVSU-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3C2)c(C)o1 ZINC000659813410 411300486 /nfs/dbraw/zinc/30/04/86/411300486.db2.gz HGHZZQXVARYVSU-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO COc1cccc(C[NH+]2CC(C(F)F)C2)c1F ZINC000656691970 411331640 /nfs/dbraw/zinc/33/16/40/411331640.db2.gz QMFKZEQUBFTZKF-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO CCC(C)(CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000654011853 411313953 /nfs/dbraw/zinc/31/39/53/411313953.db2.gz VPTSIVUGFHEVOV-WDEREUQCSA-N 1 2 249.358 2.831 20 0 BFADLO C=C/C(C)=C\CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000654011698 411314134 /nfs/dbraw/zinc/31/41/34/411314134.db2.gz FKVMODXJQJYAHK-JUYDSFNJSA-N 1 2 245.326 2.528 20 0 BFADLO CCn1ccnc1C[NH+]1CC(CC)(CC)C1 ZINC000656661775 411319245 /nfs/dbraw/zinc/31/92/45/411319245.db2.gz YNIWZDSMYMALIT-UHFFFAOYSA-N 1 2 221.348 2.525 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280141 411320294 /nfs/dbraw/zinc/32/02/94/411320294.db2.gz GLXRZCBCKSDROS-XVKPBYJWSA-N 1 2 243.301 2.660 20 0 BFADLO CSc1cccc(C[N@@H+]2CCOCC23CC3)c1 ZINC000660490269 411373785 /nfs/dbraw/zinc/37/37/85/411373785.db2.gz ZQWWQKKDCHITLJ-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CSc1cccc(C[N@H+]2CCOCC23CC3)c1 ZINC000660490269 411373788 /nfs/dbraw/zinc/37/37/88/411373788.db2.gz ZQWWQKKDCHITLJ-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CC1(C[NH2+]c2ccc(OCC3CC3)cc2)COC1 ZINC000286589797 168047742 /nfs/dbraw/zinc/04/77/42/168047742.db2.gz QPOCOCWUZYHGOS-UHFFFAOYSA-N 1 2 247.338 2.924 20 0 BFADLO CC1(C)[C@H](O)C[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000129001159 168009223 /nfs/dbraw/zinc/00/92/23/168009223.db2.gz OUFVWQCIRWDGKO-CHWSQXEVSA-N 1 2 242.322 2.806 20 0 BFADLO CC1(CC(=O)Nc2cc[nH+]cc2O)CCCCC1 ZINC000338124968 168016823 /nfs/dbraw/zinc/01/68/23/168016823.db2.gz IFRRFOPGKAISTI-UHFFFAOYSA-N 1 2 248.326 2.508 20 0 BFADLO CC1(CCNc2cc[nH+]c3ccncc23)CC1 ZINC000359840638 168017462 /nfs/dbraw/zinc/01/74/62/168017462.db2.gz IIPGNYPESFHDLS-UHFFFAOYSA-N 1 2 227.311 2.654 20 0 BFADLO CC1(CNc2ccc([NH+]3CCCC3)cc2)COC1 ZINC000079497427 168048446 /nfs/dbraw/zinc/04/84/46/168048446.db2.gz KIOXGMLLDADULU-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO CC1(C[NH2+]c2ccc(N3CCCC3)cc2)COC1 ZINC000079497427 168048448 /nfs/dbraw/zinc/04/84/48/168048448.db2.gz KIOXGMLLDADULU-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO CC1=CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000294758315 168100489 /nfs/dbraw/zinc/10/04/89/168100489.db2.gz RZVFLCRQXPYLRG-UHFFFAOYSA-N 1 2 239.265 2.822 20 0 BFADLO CC1=CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000294758315 168100493 /nfs/dbraw/zinc/10/04/93/168100493.db2.gz RZVFLCRQXPYLRG-UHFFFAOYSA-N 1 2 239.265 2.822 20 0 BFADLO CC1=CC[N@H+](Cc2nnc(C(C)C)s2)CC1 ZINC000294872673 168115978 /nfs/dbraw/zinc/11/59/78/168115978.db2.gz DISQIJMLLWMXBY-UHFFFAOYSA-N 1 2 237.372 2.814 20 0 BFADLO CC1=CC[N@@H+](Cc2nnc(C(C)C)s2)CC1 ZINC000294872673 168115981 /nfs/dbraw/zinc/11/59/81/168115981.db2.gz DISQIJMLLWMXBY-UHFFFAOYSA-N 1 2 237.372 2.814 20 0 BFADLO CC1=CC[N@H+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000270137514 168116838 /nfs/dbraw/zinc/11/68/38/168116838.db2.gz HWTIGQXNFNKAAJ-LLVKDONJSA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CC[N@@H+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000270137514 168116842 /nfs/dbraw/zinc/11/68/42/168116842.db2.gz HWTIGQXNFNKAAJ-LLVKDONJSA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000270563919 168117651 /nfs/dbraw/zinc/11/76/51/168117651.db2.gz KQONAKVFWHNZPA-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO CC(C)[C@@H]([NH2+]C1CC(C)C1)C(F)(F)F ZINC000336696631 168148367 /nfs/dbraw/zinc/14/83/67/168148367.db2.gz UHVPUFMEFTXOLM-AMDVSUOASA-N 1 2 209.255 2.961 20 0 BFADLO CC1CCC(CC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000360212343 168152164 /nfs/dbraw/zinc/15/21/64/168152164.db2.gz JAMIMCYGWDPNQL-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CCC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000050180620 168209764 /nfs/dbraw/zinc/20/97/64/168209764.db2.gz DVXLDUUOBOUEEI-UHFFFAOYSA-N 1 2 216.284 2.632 20 0 BFADLO CSc1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000657255864 411429775 /nfs/dbraw/zinc/42/97/75/411429775.db2.gz RLOLUUBRCURUTM-UHFFFAOYSA-N 1 2 234.324 2.848 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccco1 ZINC000271447662 411430675 /nfs/dbraw/zinc/43/06/75/411430675.db2.gz DADASVWLYMIRHN-KOLCDFICSA-N 1 2 231.299 2.731 20 0 BFADLO FC1=CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000271595109 411431800 /nfs/dbraw/zinc/43/18/00/411431800.db2.gz HGVLEOOMELVLBM-UHFFFAOYSA-N 1 2 249.285 2.517 20 0 BFADLO FC1=CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000271595109 411431802 /nfs/dbraw/zinc/43/18/02/411431802.db2.gz HGVLEOOMELVLBM-UHFFFAOYSA-N 1 2 249.285 2.517 20 0 BFADLO C[C@@H]1CCCC[C@H]1COCc1[nH]cc[nH+]1 ZINC000657254850 411436018 /nfs/dbraw/zinc/43/60/18/411436018.db2.gz DFPOETJMNHFEDC-MNOVXSKESA-N 1 2 208.305 2.753 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894600349 583490116 /nfs/dbraw/zinc/49/01/16/583490116.db2.gz FULVPLSJSJWLQP-YFKPBYRVSA-N 1 2 242.241 2.610 20 0 BFADLO O=C(CCC1CCCCCC1)NCc1[nH]cc[nH+]1 ZINC000654773127 411442407 /nfs/dbraw/zinc/44/24/07/411442407.db2.gz RNGRPECDBUFQRD-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO COc1ccc(N[C@@H]2CC[C@@H](C)SC2)[nH+]c1 ZINC000655743916 411447536 /nfs/dbraw/zinc/44/75/36/411447536.db2.gz MCPQKANXJWJBHY-NXEZZACHSA-N 1 2 238.356 2.786 20 0 BFADLO Cc1[nH]c(CNCc2ccc(Cl)o2)[nH+]c1C ZINC000657290825 411452216 /nfs/dbraw/zinc/45/22/16/411452216.db2.gz SIWIEYRHTJWSHI-UHFFFAOYSA-N 1 2 239.706 2.563 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccsc2)co1 ZINC000659823038 411464309 /nfs/dbraw/zinc/46/43/09/411464309.db2.gz YMIPFBRSACNINA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccsc2)co1 ZINC000659823038 411464310 /nfs/dbraw/zinc/46/43/10/411464310.db2.gz YMIPFBRSACNINA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCC[C@@H]([NH2+]Cc1nc(C)c[nH]1)c1ccccn1 ZINC000657346250 411470727 /nfs/dbraw/zinc/47/07/27/411470727.db2.gz FZXLIXQSNIKQIZ-GFCCVEGCSA-N 1 2 244.342 2.744 20 0 BFADLO Cc1c[nH]c(CNc2ccc(F)c(F)c2C)[nH+]1 ZINC000657493726 411533675 /nfs/dbraw/zinc/53/36/75/411533675.db2.gz HLAFOBBURMKVOS-UHFFFAOYSA-N 1 2 237.253 2.917 20 0 BFADLO CC[C@@H](NC(=O)CCC(C)(C)C)c1[nH]cc[nH+]1 ZINC000301942623 411495815 /nfs/dbraw/zinc/49/58/15/411495815.db2.gz DQDNSIWOLBHAKR-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO CCOCc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657409741 411497547 /nfs/dbraw/zinc/49/75/47/411497547.db2.gz ULEZQQRFJIKMCS-UHFFFAOYSA-N 1 2 245.326 2.867 20 0 BFADLO CSc1cccc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000659918908 411498031 /nfs/dbraw/zinc/49/80/31/411498031.db2.gz BPHQSWFKPFETRY-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000659918908 411498033 /nfs/dbraw/zinc/49/80/33/411498033.db2.gz BPHQSWFKPFETRY-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO Cc1c[nH]c(CNc2cccc(C)c2F)[nH+]1 ZINC000657426636 411503840 /nfs/dbraw/zinc/50/38/40/411503840.db2.gz AVWUMAWONQQMJC-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cc1nc(C[N@H+]2Cc3ccccc3C[C@H]2C)co1 ZINC000659954257 411510603 /nfs/dbraw/zinc/51/06/03/411510603.db2.gz DPKLWUSOIIMOMI-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1nc(C[N@@H+]2Cc3ccccc3C[C@H]2C)co1 ZINC000659954257 411510606 /nfs/dbraw/zinc/51/06/06/411510606.db2.gz DPKLWUSOIIMOMI-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO CC[C@@H](C)n1ncc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657448128 411513680 /nfs/dbraw/zinc/51/36/80/411513680.db2.gz SPLZICKFDJRCPK-SNVBAGLBSA-N 1 2 247.346 2.806 20 0 BFADLO CC(C)n1cc[nH+]c1CN[C@H](C)C(F)(F)F ZINC000657466582 411519379 /nfs/dbraw/zinc/51/93/79/411519379.db2.gz JKAFOWGOTOUOAI-MRVPVSSYSA-N 1 2 235.253 2.504 20 0 BFADLO CC(C)n1cc[nH+]c1CN[C@@H]1CCCC1(F)F ZINC000657467647 411520608 /nfs/dbraw/zinc/52/06/08/411520608.db2.gz SUQOCULSVGSIBE-SNVBAGLBSA-N 1 2 243.301 2.741 20 0 BFADLO CC(C)n1cc[nH+]c1CN[C@H]1CCCC1(F)F ZINC000657467646 411520672 /nfs/dbraw/zinc/52/06/72/411520672.db2.gz SUQOCULSVGSIBE-JTQLQIEISA-N 1 2 243.301 2.741 20 0 BFADLO Cc1occc1C[NH2+]Cc1nccn1C(C)C ZINC000657327192 411465790 /nfs/dbraw/zinc/46/57/90/411465790.db2.gz SQURSABERZLVNY-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO CC(C)C[NH2+][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655853376 411537903 /nfs/dbraw/zinc/53/79/03/411537903.db2.gz VORBFWLFXJXHQO-ZJUUUORDSA-N 1 2 239.281 2.732 20 0 BFADLO CC(C)C[NH2+][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655853373 411538157 /nfs/dbraw/zinc/53/81/57/411538157.db2.gz VORBFWLFXJXHQO-NXEZZACHSA-N 1 2 239.281 2.732 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2coc(C)n2)c1 ZINC000660179997 411552613 /nfs/dbraw/zinc/55/26/13/411552613.db2.gz SQQRCESRPDVQNL-JTQLQIEISA-N 1 2 246.310 2.842 20 0 BFADLO CC[NH2+]Cc1noc(C2CCCCCC2)n1 ZINC000053716309 170131774 /nfs/dbraw/zinc/13/17/74/170131774.db2.gz AZQLNLRRQIUTNK-UHFFFAOYSA-N 1 2 223.320 2.617 20 0 BFADLO CCNc1cc(N2CCc3ccccc32)nc[nH+]1 ZINC000127834963 170173054 /nfs/dbraw/zinc/17/30/54/170173054.db2.gz QBTWSTDPSKKEHP-UHFFFAOYSA-N 1 2 240.310 2.603 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000049368624 170268279 /nfs/dbraw/zinc/26/82/79/170268279.db2.gz FXVDQSWYPJSJBF-WCQYABFASA-N 1 2 235.327 2.679 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000049370662 170268552 /nfs/dbraw/zinc/26/85/52/170268552.db2.gz YPDKZNQVXXXEFH-FZMZJTMJSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000084100725 170271406 /nfs/dbraw/zinc/27/14/06/170271406.db2.gz WKNLQYLOIOFKRP-AAEUAGOBSA-N 1 2 235.327 2.679 20 0 BFADLO CCOC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000275488894 170314283 /nfs/dbraw/zinc/31/42/83/170314283.db2.gz KGVDQNSPZLVTEP-UHFFFAOYSA-N 1 2 235.331 2.581 20 0 BFADLO CCOC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000275557858 170314479 /nfs/dbraw/zinc/31/44/79/170314479.db2.gz OEMWUECLOLLWKB-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO CCOCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090802856 170383418 /nfs/dbraw/zinc/38/34/18/170383418.db2.gz WCYBXEDMCGJYLH-UHFFFAOYSA-N 1 2 248.248 2.939 20 0 BFADLO C[N@H+](CCCC1CCC1)Cc1noc(C2CC2)n1 ZINC000660809997 411642617 /nfs/dbraw/zinc/64/26/17/411642617.db2.gz BDCAUVXXIAWTDP-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@@H+](CCCC1CCC1)Cc1noc(C2CC2)n1 ZINC000660809997 411642621 /nfs/dbraw/zinc/64/26/21/411642621.db2.gz BDCAUVXXIAWTDP-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCc1nc([C@@H](C)[NH+]2CCC3(CCC3)CC2)n[nH]1 ZINC000660545000 411598050 /nfs/dbraw/zinc/59/80/50/411598050.db2.gz QPVUBHXVCHPMQN-LLVKDONJSA-N 1 2 248.374 2.694 20 0 BFADLO CCc1nc([C@H](C)[NH+]2CCC3(CCC3)CC2)n[nH]1 ZINC000660545002 411598352 /nfs/dbraw/zinc/59/83/52/411598352.db2.gz QPVUBHXVCHPMQN-NSHDSACASA-N 1 2 248.374 2.694 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cncs1 ZINC000657793717 411598651 /nfs/dbraw/zinc/59/86/51/411598651.db2.gz PGBFEPXWCJEDOR-UHFFFAOYSA-N 1 2 234.315 2.914 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3occc3C2)c(C)o1 ZINC000660562926 411601366 /nfs/dbraw/zinc/60/13/66/411601366.db2.gz HYYXNZQCZPXJFL-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3occc3C2)c(C)o1 ZINC000660562926 411601367 /nfs/dbraw/zinc/60/13/67/411601367.db2.gz HYYXNZQCZPXJFL-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO COc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1Cl ZINC000660690444 411618078 /nfs/dbraw/zinc/61/80/78/411618078.db2.gz BWJPJMOSZRBYKL-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cccc(C[N@H+]2CC[C@@H](F)C2)c1Cl ZINC000660690444 411618079 /nfs/dbraw/zinc/61/80/79/411618079.db2.gz BWJPJMOSZRBYKL-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO CCCC[N@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660762327 411621713 /nfs/dbraw/zinc/62/17/13/411621713.db2.gz VFRFSJBJTGTXOS-CYBMUJFWSA-N 1 2 244.342 2.626 20 0 BFADLO CCCC[N@@H+](C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660762327 411621715 /nfs/dbraw/zinc/62/17/15/411621715.db2.gz VFRFSJBJTGTXOS-CYBMUJFWSA-N 1 2 244.342 2.626 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC(F)(F)C1 ZINC000663774001 411744892 /nfs/dbraw/zinc/74/48/92/411744892.db2.gz RWSSUHHJGJGVRT-UHFFFAOYSA-N 1 2 249.264 2.662 20 0 BFADLO Cn1nccc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515051 411793501 /nfs/dbraw/zinc/79/35/01/411793501.db2.gz UQYDTJDQPXFMQR-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1nccc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661515051 411793502 /nfs/dbraw/zinc/79/35/02/411793502.db2.gz UQYDTJDQPXFMQR-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nc(C(C)C)oc1CNc1cc(C)[nH+]cn1 ZINC000663929863 411778362 /nfs/dbraw/zinc/77/83/62/411778362.db2.gz OKMMIOAZISIASF-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO Cc1cc(N2CC[C@@H]2C(F)F)nc(C2CC2)[nH+]1 ZINC000663945082 411784972 /nfs/dbraw/zinc/78/49/72/411784972.db2.gz IKDWKSNUFOOSON-SECBINFHSA-N 1 2 239.269 2.506 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000663947799 411786871 /nfs/dbraw/zinc/78/68/71/411786871.db2.gz SCCRRZVRRJYORE-VHSXEESVSA-N 1 2 231.343 2.508 20 0 BFADLO Cc1cc(C[NH+]2CCC(c3ccco3)CC2)no1 ZINC000661161557 411724624 /nfs/dbraw/zinc/72/46/24/411724624.db2.gz UPKPBXPKDNUHRE-UHFFFAOYSA-N 1 2 246.310 2.956 20 0 BFADLO Cn1nccc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515050 411794865 /nfs/dbraw/zinc/79/48/65/411794865.db2.gz UQYDTJDQPXFMQR-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1nccc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661515050 411794869 /nfs/dbraw/zinc/79/48/69/411794869.db2.gz UQYDTJDQPXFMQR-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1[nH+]c2cc(OCC(C)C)ccc2n1C ZINC000664046880 411826852 /nfs/dbraw/zinc/82/68/52/411826852.db2.gz RRAOKWNSNXHGIU-UHFFFAOYSA-N 1 2 218.300 2.917 20 0 BFADLO CC[C@@H](COc1ccc2c(c1)[nH+]c(C)n2C)OC ZINC000664046895 411827313 /nfs/dbraw/zinc/82/73/13/411827313.db2.gz RVRXNMPNUIDWKF-NSHDSACASA-N 1 2 248.326 2.686 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661688775 411839822 /nfs/dbraw/zinc/83/98/22/411839822.db2.gz ICSQCRPLAOBMTI-KOLCDFICSA-N 1 2 241.310 2.511 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661688775 411839826 /nfs/dbraw/zinc/83/98/26/411839826.db2.gz ICSQCRPLAOBMTI-KOLCDFICSA-N 1 2 241.310 2.511 20 0 BFADLO Cc1cc(N2CCC(C3CCC3)CC2)nc[nH+]1 ZINC000664251782 411899612 /nfs/dbraw/zinc/89/96/12/411899612.db2.gz UQSFHHWLNLBOEP-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO CCc1cc(N[C@@H](C)c2cscn2)nc[nH+]1 ZINC000664260927 411902588 /nfs/dbraw/zinc/90/25/88/411902588.db2.gz MLTNHOWLMUFJCZ-QMMMGPOBSA-N 1 2 234.328 2.669 20 0 BFADLO Cc1nc(N[C@@H]2Cc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000664294246 411915401 /nfs/dbraw/zinc/91/54/01/411915401.db2.gz UNLJTPGCWTZKTL-IINYFYTJSA-N 1 2 239.322 2.925 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000664470530 411968154 /nfs/dbraw/zinc/96/81/54/411968154.db2.gz CNFIXZRIKOALGI-MNOVXSKESA-N 1 2 245.326 2.567 20 0 BFADLO COc1cccc(C2([NH2+]CC(F)F)CCC2)c1 ZINC000662109121 411988769 /nfs/dbraw/zinc/98/87/69/411988769.db2.gz FKYJSACUBAFBDF-UHFFFAOYSA-N 1 2 241.281 2.929 20 0 BFADLO Cc1nc(N2CC3CC2(C)C3)c2c([nH+]1)CCCC2 ZINC000664695007 412011642 /nfs/dbraw/zinc/01/16/42/412011642.db2.gz YUPMWKUJLAUSBQ-UHFFFAOYSA-N 1 2 243.354 2.653 20 0 BFADLO CC[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000664436563 411955744 /nfs/dbraw/zinc/95/57/44/411955744.db2.gz IXMGWFFQLPOWQJ-GFCCVEGCSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000664436563 411955747 /nfs/dbraw/zinc/95/57/47/411955747.db2.gz IXMGWFFQLPOWQJ-GFCCVEGCSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000664436477 411956145 /nfs/dbraw/zinc/95/61/45/411956145.db2.gz HMNZDOZNKYUADQ-LLVKDONJSA-N 1 2 217.316 2.955 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@H+](CC2=CCCC2)CCO1 ZINC000662223866 412031171 /nfs/dbraw/zinc/03/11/71/412031171.db2.gz RQUKRKIJAJZTKY-LLVKDONJSA-N 1 2 249.276 2.750 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@@H+](CC2=CCCC2)CCO1 ZINC000662223866 412031175 /nfs/dbraw/zinc/03/11/75/412031175.db2.gz RQUKRKIJAJZTKY-LLVKDONJSA-N 1 2 249.276 2.750 20 0 BFADLO C[C@H]1CCCC[C@H]1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861588 412035075 /nfs/dbraw/zinc/03/50/75/412035075.db2.gz URVFCXGRZNHJRC-STQMWFEESA-N 1 2 247.386 2.984 20 0 BFADLO C[C@H]1CCCC[C@H]1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861588 412035076 /nfs/dbraw/zinc/03/50/76/412035076.db2.gz URVFCXGRZNHJRC-STQMWFEESA-N 1 2 247.386 2.984 20 0 BFADLO CC[C@@H](C)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981417 412055728 /nfs/dbraw/zinc/05/57/28/412055728.db2.gz BGFHHKLDIHMOCI-SNVBAGLBSA-N 1 2 245.326 2.952 20 0 BFADLO CC(C)=Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979131 412055800 /nfs/dbraw/zinc/05/58/00/412055800.db2.gz BSVKTPFLANAKLG-UHFFFAOYSA-N 1 2 229.283 2.787 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@H]2CC23CC3)n1 ZINC000664986027 412057113 /nfs/dbraw/zinc/05/71/13/412057113.db2.gz OGHAPEUPSFSSSZ-LLVKDONJSA-N 1 2 241.294 2.631 20 0 BFADLO CC[C@@H]1CCN(C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000176748752 171005668 /nfs/dbraw/zinc/00/56/68/171005668.db2.gz DLRATSJSUJQYCY-GFCCVEGCSA-N 1 2 247.342 2.962 20 0 BFADLO CC[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270550072 171016550 /nfs/dbraw/zinc/01/65/50/171016550.db2.gz FVJLSUJUDKCSTL-SNVBAGLBSA-N 1 2 215.300 2.799 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000115574819 171106854 /nfs/dbraw/zinc/10/68/54/171106854.db2.gz MLUWHGQPSXFFIW-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000115574819 171106858 /nfs/dbraw/zinc/10/68/58/171106858.db2.gz MLUWHGQPSXFFIW-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000336250100 171132020 /nfs/dbraw/zinc/13/20/20/171132020.db2.gz JTUJNRQJSIRVNF-ZYHUDNBSSA-N 1 2 243.310 2.627 20 0 BFADLO CC[C@@H]1C[C@H]1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287603618 171138075 /nfs/dbraw/zinc/13/80/75/171138075.db2.gz SHDPLBVRCMRALD-GHMZBOCLSA-N 1 2 233.315 2.618 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276557722 171258488 /nfs/dbraw/zinc/25/84/88/171258488.db2.gz BROZVYCDSHCZQN-RYUDHWBXSA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@H](C)CC(=O)OCc1c[nH+]ccc1OC ZINC000286952556 171263865 /nfs/dbraw/zinc/26/38/65/171263865.db2.gz NVVBBHYJVSYQLQ-JTQLQIEISA-N 1 2 237.299 2.570 20 0 BFADLO CC[C@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000301238337 171275757 /nfs/dbraw/zinc/27/57/57/171275757.db2.gz IPNADONVQGKMDK-JTQLQIEISA-N 1 2 219.332 2.836 20 0 BFADLO CC[C@H](C)CN(C)c1nc(N)c2ccccc2[nH+]1 ZINC000301917581 171275939 /nfs/dbraw/zinc/27/59/39/171275939.db2.gz WCIPKXHKBUAIQK-JTQLQIEISA-N 1 2 244.342 2.694 20 0 BFADLO CC[C@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000050506871 171285721 /nfs/dbraw/zinc/28/57/21/171285721.db2.gz GIQWFRCQWDVEOZ-WCQYABFASA-N 1 2 235.327 2.536 20 0 BFADLO CC[C@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000342197060 171309902 /nfs/dbraw/zinc/30/99/02/171309902.db2.gz FOAZKQNUJWLXRO-QMMMGPOBSA-N 1 2 218.304 2.501 20 0 BFADLO CC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000342200271 171310211 /nfs/dbraw/zinc/31/02/11/171310211.db2.gz ITINBNMJMHZNMY-JTQLQIEISA-N 1 2 219.332 2.897 20 0 BFADLO CCc1ccc(C[NH2+][C@H](COC)c2ccco2)o1 ZINC000150931356 171811922 /nfs/dbraw/zinc/81/19/22/171811922.db2.gz HLQUBDKGHHPVPT-CYBMUJFWSA-N 1 2 249.310 2.912 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336270020 172065331 /nfs/dbraw/zinc/06/53/31/172065331.db2.gz CKDWQHOHKSXJEN-JOYOIKCWSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nnc([C@H](C)[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336270020 172065334 /nfs/dbraw/zinc/06/53/34/172065334.db2.gz CKDWQHOHKSXJEN-JOYOIKCWSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nocc1CNc1c[nH+]cc(C)c1 ZINC000339320924 172103141 /nfs/dbraw/zinc/10/31/41/172103141.db2.gz NJYIIBGNRKJSMB-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCn1cccc1CNc1c[nH+]ccc1OC ZINC000295662134 172211266 /nfs/dbraw/zinc/21/12/66/172211266.db2.gz JMJFYFMJJDOLSL-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CCn1ccnc1C[NH2+][C@H](C)c1cc(C)oc1C ZINC000051924269 172224280 /nfs/dbraw/zinc/22/42/80/172224280.db2.gz DDACVYNYWRWVSH-LLVKDONJSA-N 1 2 247.342 2.964 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1F ZINC000295301187 172228158 /nfs/dbraw/zinc/22/81/58/172228158.db2.gz VDTGUWNNPORFRQ-LLVKDONJSA-N 1 2 247.317 2.893 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000040218977 173804028 /nfs/dbraw/zinc/80/40/28/173804028.db2.gz HTCHKAPQDHJAGM-CQSZACIVSA-N 1 2 249.354 2.591 20 0 BFADLO COC1(CNc2ccc(N(C)C)[nH+]c2)CCCC1 ZINC000319530830 174006941 /nfs/dbraw/zinc/00/69/41/174006941.db2.gz BKAUFYYHEKCZPO-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO COCC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000282001059 174105986 /nfs/dbraw/zinc/10/59/86/174105986.db2.gz UIFJIXYVEDVWHC-UHFFFAOYSA-N 1 2 247.342 2.583 20 0 BFADLO COCC1(CNc2cc[nH+]c(C)n2)CCCCC1 ZINC000290854352 174106230 /nfs/dbraw/zinc/10/62/30/174106230.db2.gz QAUXQTYNJIFHHG-UHFFFAOYSA-N 1 2 249.358 2.794 20 0 BFADLO COCCC1(CNc2cc(C)[nH+]cn2)CCCC1 ZINC000301686269 174158572 /nfs/dbraw/zinc/15/85/72/174158572.db2.gz WXXDSLXHMSUBOS-UHFFFAOYSA-N 1 2 249.358 2.794 20 0 BFADLO COCCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000116260071 174203302 /nfs/dbraw/zinc/20/33/02/174203302.db2.gz OTARMWFPZMFEOW-UHFFFAOYSA-N 1 2 235.331 2.501 20 0 BFADLO COCCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803284 174203378 /nfs/dbraw/zinc/20/33/78/174203378.db2.gz JFZFHTYFNVTFPS-UHFFFAOYSA-N 1 2 248.248 2.939 20 0 BFADLO COCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486146 174250958 /nfs/dbraw/zinc/25/09/58/174250958.db2.gz FRYUXZHGZSRTLN-UHFFFAOYSA-N 1 2 234.221 2.549 20 0 BFADLO COCCCNc1ccc2ccccc2[nH+]1 ZINC000034938137 174252400 /nfs/dbraw/zinc/25/24/00/174252400.db2.gz NPMRQAQWFGTTCP-UHFFFAOYSA-N 1 2 216.284 2.683 20 0 BFADLO COCC[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000122871932 174282424 /nfs/dbraw/zinc/28/24/24/174282424.db2.gz ZQLMWZQFNVJQGB-SECBINFHSA-N 1 2 229.270 2.604 20 0 BFADLO COCC[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000122871932 174282426 /nfs/dbraw/zinc/28/24/26/174282426.db2.gz ZQLMWZQFNVJQGB-SECBINFHSA-N 1 2 229.270 2.604 20 0 BFADLO COCC[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309591 174386350 /nfs/dbraw/zinc/38/63/50/174386350.db2.gz AGJKCPYPMZDVIN-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(F)(F)F ZINC000309986086 174396398 /nfs/dbraw/zinc/39/63/98/174396398.db2.gz YGPYCABTXISJJX-GUBZILKMSA-N 1 2 239.281 2.732 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353193448 175099779 /nfs/dbraw/zinc/09/97/79/175099779.db2.gz NPXSUGYWVJCHQT-LBPRGKRZSA-N 1 2 241.281 2.925 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353193448 175099781 /nfs/dbraw/zinc/09/97/81/175099781.db2.gz NPXSUGYWVJCHQT-LBPRGKRZSA-N 1 2 241.281 2.925 20 0 BFADLO COc1ccc([NH2+]C(C)C)c(OC)c1OC ZINC000034949623 175149962 /nfs/dbraw/zinc/14/99/62/175149962.db2.gz MBHXZYZKAKUFSI-UHFFFAOYSA-N 1 2 225.288 2.533 20 0 BFADLO COc1ccc([NH2+][C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070361609 175155309 /nfs/dbraw/zinc/15/53/09/175155309.db2.gz MUEHWSUBBLZOGN-NEPJUHHUSA-N 1 2 235.327 2.983 20 0 BFADLO COc1ccc(Nc2ccc(N)[nH+]c2)cc1F ZINC000037290573 175156180 /nfs/dbraw/zinc/15/61/80/175156180.db2.gz YNNAMHSZKYKFQW-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2C)cc1 ZINC000038011166 175177071 /nfs/dbraw/zinc/17/70/71/175177071.db2.gz CUBAZVZKUUIRRV-SNVBAGLBSA-N 1 2 245.326 2.578 20 0 BFADLO COc1cccc(CCC[N@H+](C)CC(F)F)c1 ZINC000357582862 175251435 /nfs/dbraw/zinc/25/14/35/175251435.db2.gz PWEIUZBTSVPPDF-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO COc1cccc(CCC[N@@H+](C)CC(F)F)c1 ZINC000357582862 175251437 /nfs/dbraw/zinc/25/14/37/175251437.db2.gz PWEIUZBTSVPPDF-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2cc(C)on2)c1 ZINC000247878818 175255955 /nfs/dbraw/zinc/25/59/55/175255955.db2.gz BPKJEVLMARYNNJ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2cc(C)on2)c1 ZINC000247878818 175255956 /nfs/dbraw/zinc/25/59/56/175255956.db2.gz BPKJEVLMARYNNJ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(Cl)c1C[NH2+][C@H](C)CF ZINC000309085471 175273635 /nfs/dbraw/zinc/27/36/35/175273635.db2.gz WXHLFOOWCACCCZ-MRVPVSSYSA-N 1 2 231.698 2.796 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2cocn2)c1 ZINC000267242617 175287464 /nfs/dbraw/zinc/28/74/64/175287464.db2.gz MWHLRIFGPMUIDJ-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2ccon2)c1 ZINC000093978120 175293690 /nfs/dbraw/zinc/29/36/90/175293690.db2.gz OWSWJRVHYAWPTP-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccccc1CCCOCc1[nH]cc[nH+]1 ZINC000272431254 175322662 /nfs/dbraw/zinc/32/26/62/175322662.db2.gz JLGSQIPDTNDNTJ-UHFFFAOYSA-N 1 2 246.310 2.568 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CCC1CCC1 ZINC000176299735 175375508 /nfs/dbraw/zinc/37/55/08/175375508.db2.gz FFCMHGIILIVXNI-UHFFFAOYSA-N 1 2 234.299 2.609 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1ccc(C)s1 ZINC000336364651 175376355 /nfs/dbraw/zinc/37/63/55/175376355.db2.gz UJLPMWIJLFJMJY-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1cocn1 ZINC000191922392 176019967 /nfs/dbraw/zinc/01/99/67/176019967.db2.gz NBSIXDBYTHPLSY-NSHDSACASA-N 1 2 216.284 2.868 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cocn1 ZINC000191922392 176019968 /nfs/dbraw/zinc/01/99/68/176019968.db2.gz NBSIXDBYTHPLSY-NSHDSACASA-N 1 2 216.284 2.868 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cncn1C)C1CC1 ZINC000119186558 176032551 /nfs/dbraw/zinc/03/25/51/176032551.db2.gz GKNUWPKUFMHFDO-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cncn1C)C1CC1 ZINC000119186558 176032553 /nfs/dbraw/zinc/03/25/53/176032553.db2.gz GKNUWPKUFMHFDO-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1cocn1 ZINC000191928270 176032825 /nfs/dbraw/zinc/03/28/25/176032825.db2.gz PZMBQFIDZLGUPV-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cocn1 ZINC000191928270 176032826 /nfs/dbraw/zinc/03/28/26/176032826.db2.gz PZMBQFIDZLGUPV-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1nccn1C ZINC000299640386 176033297 /nfs/dbraw/zinc/03/32/97/176033297.db2.gz VPRGYLRKZYTWHF-JTQLQIEISA-N 1 2 235.356 2.675 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nccn1C ZINC000299640386 176033298 /nfs/dbraw/zinc/03/32/98/176033298.db2.gz VPRGYLRKZYTWHF-JTQLQIEISA-N 1 2 235.356 2.675 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1cnns1 ZINC000289015011 176033488 /nfs/dbraw/zinc/03/34/88/176033488.db2.gz AGJWKKKSZRYKNT-QMMMGPOBSA-N 1 2 239.369 2.793 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cnns1 ZINC000289015011 176033490 /nfs/dbraw/zinc/03/34/90/176033490.db2.gz AGJWKKKSZRYKNT-QMMMGPOBSA-N 1 2 239.369 2.793 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000339565095 176038745 /nfs/dbraw/zinc/03/87/45/176038745.db2.gz LFMOGJYCBQFZDX-BBBLOLIVSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C)[C@H]1C ZINC000339565095 176038746 /nfs/dbraw/zinc/03/87/46/176038746.db2.gz LFMOGJYCBQFZDX-BBBLOLIVSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CNc1ccc(CO)c[nH+]1 ZINC000340576447 176078203 /nfs/dbraw/zinc/07/82/03/176078203.db2.gz HVKCHRVKXWXYEX-DGCLKSJQSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000307676706 176110367 /nfs/dbraw/zinc/11/03/67/176110367.db2.gz HWIZKFJBMFLJNK-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000307676706 176110369 /nfs/dbraw/zinc/11/03/69/176110369.db2.gz HWIZKFJBMFLJNK-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[C@@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336941021 176128889 /nfs/dbraw/zinc/12/88/89/176128889.db2.gz YCDIHROJHCHTPI-KOLCDFICSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000301902326 176199731 /nfs/dbraw/zinc/19/97/31/176199731.db2.gz OBWCOBPCJSQVKH-NXEZZACHSA-N 1 2 215.300 2.940 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000309395493 176237676 /nfs/dbraw/zinc/23/76/76/176237676.db2.gz GMGBNSXWQDWXRY-MWLCHTKSSA-N 1 2 213.284 2.840 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000279304852 176337894 /nfs/dbraw/zinc/33/78/94/176337894.db2.gz MOHVGEGEWVRUDK-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000279304852 176337895 /nfs/dbraw/zinc/33/78/95/176337895.db2.gz MOHVGEGEWVRUDK-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(F)ccc(O)c1F ZINC000334441408 176364301 /nfs/dbraw/zinc/36/43/01/176364301.db2.gz ZUXXKNNBOSQWOW-HTQZYQBOSA-N 1 2 227.254 2.653 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]Cc2cocn2)c2ccccc2O1 ZINC000294966872 176377577 /nfs/dbraw/zinc/37/75/77/176377577.db2.gz FJVFHMGLJINUSE-ZWNOBZJWSA-N 1 2 244.294 2.677 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268258 176397646 /nfs/dbraw/zinc/39/76/46/176397646.db2.gz RAQIBUTVUKRMAJ-RTXFEEFZSA-N 1 2 248.374 2.672 20 0 BFADLO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@H]1C ZINC000336763295 176497383 /nfs/dbraw/zinc/49/73/83/176497383.db2.gz OYSKDFZPMPUCCE-GOZTYBTRSA-N 1 2 221.266 2.961 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cc[nH]n1)C1CC1 ZINC000092484328 177046906 /nfs/dbraw/zinc/04/69/06/177046906.db2.gz UFQJNKDMZFTZLB-SNVBAGLBSA-N 1 2 231.299 2.728 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cc[nH]n1)C1CC1 ZINC000092484328 177046908 /nfs/dbraw/zinc/04/69/08/177046908.db2.gz UFQJNKDMZFTZLB-SNVBAGLBSA-N 1 2 231.299 2.728 20 0 BFADLO C[C@H](c1ccco1)[N@H+](C)Cc1cscn1 ZINC000171065059 177047431 /nfs/dbraw/zinc/04/74/31/177047431.db2.gz WHYSALYYRXQQKO-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cscn1 ZINC000171065059 177047432 /nfs/dbraw/zinc/04/74/32/177047432.db2.gz WHYSALYYRXQQKO-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1cocn1 ZINC000191928278 177048904 /nfs/dbraw/zinc/04/89/04/177048904.db2.gz PZMBQFIDZLGUPV-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1cocn1 ZINC000191928278 177048906 /nfs/dbraw/zinc/04/89/06/177048906.db2.gz PZMBQFIDZLGUPV-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1cnns1 ZINC000289015008 177049166 /nfs/dbraw/zinc/04/91/66/177049166.db2.gz AGJWKKKSZRYKNT-MRVPVSSYSA-N 1 2 239.369 2.793 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1cnns1 ZINC000289015008 177049168 /nfs/dbraw/zinc/04/91/68/177049168.db2.gz AGJWKKKSZRYKNT-MRVPVSSYSA-N 1 2 239.369 2.793 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1nccn1C ZINC000299640388 177049417 /nfs/dbraw/zinc/04/94/17/177049417.db2.gz VPRGYLRKZYTWHF-SNVBAGLBSA-N 1 2 235.356 2.675 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1nccn1C ZINC000299640388 177049418 /nfs/dbraw/zinc/04/94/18/177049418.db2.gz VPRGYLRKZYTWHF-SNVBAGLBSA-N 1 2 235.356 2.675 20 0 BFADLO C[C@H](c1noc(CCn2cc[nH+]c2)n1)C(C)(C)C ZINC000356883826 177056579 /nfs/dbraw/zinc/05/65/79/177056579.db2.gz NMCRJLGZXUWVPR-SNVBAGLBSA-N 1 2 248.330 2.658 20 0 BFADLO C[C@H]1CCCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000227841185 177083414 /nfs/dbraw/zinc/08/34/14/177083414.db2.gz GQGIJHUYKVNQGZ-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000227841185 177083416 /nfs/dbraw/zinc/08/34/16/177083416.db2.gz GQGIJHUYKVNQGZ-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCCC[C@H]1C[NH2+]CC(F)(F)F ZINC000042862570 177086520 /nfs/dbraw/zinc/08/65/20/177086520.db2.gz BHEMRJSTBQOKJG-IUCAKERBSA-N 1 2 209.255 2.965 20 0 BFADLO C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000049474074 177105346 /nfs/dbraw/zinc/10/53/46/177105346.db2.gz XUAVNAVJNFCMTA-JTQLQIEISA-N 1 2 215.300 2.799 20 0 BFADLO C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000178798329 177105605 /nfs/dbraw/zinc/10/56/05/177105605.db2.gz NHGQXOHLSMBSTI-NSHDSACASA-N 1 2 229.327 2.810 20 0 BFADLO C[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000336425209 177111572 /nfs/dbraw/zinc/11/15/72/177111572.db2.gz JKFNNRPVNIXTDY-JTQLQIEISA-N 1 2 213.284 2.619 20 0 BFADLO C[C@H]1CCC[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC000043569565 177137748 /nfs/dbraw/zinc/13/77/48/177137748.db2.gz VKICXTFRKMZXBE-ONGXEEELSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@H]1CCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000359929017 177140063 /nfs/dbraw/zinc/14/00/63/177140063.db2.gz CGIJTDFBBVZEMH-RYUDHWBXSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000301496385 177172271 /nfs/dbraw/zinc/17/22/71/177172271.db2.gz TYWSYLPRAMQLGF-UWVGGRQHSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@H]1CC[C@@H]([NH+]=c2[nH]c3cccc(F)c3n2C)C1 ZINC000336927647 177192217 /nfs/dbraw/zinc/19/22/17/177192217.db2.gz MYDPFMJMAUZSCR-VHSXEESVSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CC[C@@H](OC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000274336222 177194042 /nfs/dbraw/zinc/19/40/42/177194042.db2.gz MYMLNVKQYFJWLM-CMPLNLGQSA-N 1 2 244.294 2.680 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000309395494 177195883 /nfs/dbraw/zinc/19/58/83/177195883.db2.gz GMGBNSXWQDWXRY-ONGXEEELSA-N 1 2 213.284 2.840 20 0 BFADLO C[C@H]1CC[C@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157682 177201948 /nfs/dbraw/zinc/20/19/48/177201948.db2.gz SQKMVSBJXWBVOH-CMPLNLGQSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@H]1CC[C@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000335157682 177201949 /nfs/dbraw/zinc/20/19/49/177201949.db2.gz SQKMVSBJXWBVOH-CMPLNLGQSA-N 1 2 235.302 2.709 20 0 BFADLO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CCC1=O ZINC000168892419 177240770 /nfs/dbraw/zinc/24/07/70/177240770.db2.gz YHYPNVCKHGOGHT-LJLILKBBSA-N 1 2 229.323 2.611 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCC1=O ZINC000168892419 177240772 /nfs/dbraw/zinc/24/07/72/177240772.db2.gz YHYPNVCKHGOGHT-LJLILKBBSA-N 1 2 229.323 2.611 20 0 BFADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000299021385 177274669 /nfs/dbraw/zinc/27/46/69/177274669.db2.gz FVULVPQRRQBQGQ-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000299021385 177274671 /nfs/dbraw/zinc/27/46/71/177274671.db2.gz FVULVPQRRQBQGQ-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000091810570 177291218 /nfs/dbraw/zinc/29/12/18/177291218.db2.gz XXRDUNNHYMQYOW-JDGPPOGSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000091810570 177291219 /nfs/dbraw/zinc/29/12/19/177291219.db2.gz XXRDUNNHYMQYOW-JDGPPOGSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)[C@@H](C)CO1 ZINC000252659310 177301530 /nfs/dbraw/zinc/30/15/30/177301530.db2.gz MDKIKCHIYLJUAO-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)[C@@H](C)CO1 ZINC000252659310 177301532 /nfs/dbraw/zinc/30/15/32/177301532.db2.gz MDKIKCHIYLJUAO-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000336364422 177319559 /nfs/dbraw/zinc/31/95/59/177319559.db2.gz GRGMMEGPGPIFAU-VHSXEESVSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000310337059 177332244 /nfs/dbraw/zinc/33/22/44/177332244.db2.gz LNVNHMIIYDCJRL-IINYFYTJSA-N 1 2 227.311 2.748 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCO3)CCO1 ZINC000070354473 177335106 /nfs/dbraw/zinc/33/51/06/177335106.db2.gz KFGUSVMRVYPSLH-GWCFXTLKSA-N 1 2 233.311 2.601 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000278779755 177351580 /nfs/dbraw/zinc/35/15/80/177351580.db2.gz VLECTBPFACTUAL-LOWVWBTDSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@H]2C)o1 ZINC000278779755 177351581 /nfs/dbraw/zinc/35/15/81/177351581.db2.gz VLECTBPFACTUAL-LOWVWBTDSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]([NH2+]c2ccc3c(c2)CCO3)CCO1 ZINC000070354471 177372480 /nfs/dbraw/zinc/37/24/80/177372480.db2.gz KFGUSVMRVYPSLH-GXFFZTMASA-N 1 2 233.311 2.601 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC000156515552 177399086 /nfs/dbraw/zinc/39/90/86/177399086.db2.gz YFVIEPPQSISHHV-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cccc(F)c2F)[C@@H]1C ZINC000156515552 177399088 /nfs/dbraw/zinc/39/90/88/177399088.db2.gz YFVIEPPQSISHHV-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO CC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000079359221 487639173 /nfs/dbraw/zinc/63/91/73/487639173.db2.gz HRNVZVOCVGHAQA-GFCCVEGCSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1COCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000683353211 487642711 /nfs/dbraw/zinc/64/27/11/487642711.db2.gz DDIQMVJLNBWCHJ-MNOVXSKESA-N 1 2 249.358 2.611 20 0 BFADLO Cc1nc(N2CC[C@H](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000474787112 225120997 /nfs/dbraw/zinc/12/09/97/225120997.db2.gz FRRLWAMLRDLIFJ-ZDUSSCGKSA-N 1 2 233.359 2.884 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCCCCC1 ZINC000492914371 226082678 /nfs/dbraw/zinc/08/26/78/226082678.db2.gz SQFJEKONUQKXPO-HJWRWDBZSA-N 1 2 247.342 2.652 20 0 BFADLO CN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCCC1 ZINC000493188074 226148767 /nfs/dbraw/zinc/14/87/67/226148767.db2.gz LMCDYYSHQXHLOV-CMDGGOBGSA-N 1 2 247.342 2.604 20 0 BFADLO Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000493560882 226243337 /nfs/dbraw/zinc/24/33/37/226243337.db2.gz SFRNRYXVMUOBGW-SREVYHEPSA-N 1 2 241.294 2.678 20 0 BFADLO C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225372 226262607 /nfs/dbraw/zinc/26/26/07/226262607.db2.gz ZTGYRRUXIYMXGB-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1(F)F ZINC000494225372 226262608 /nfs/dbraw/zinc/26/26/08/226262608.db2.gz ZTGYRRUXIYMXGB-GHMZBOCLSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C(C)C)n1 ZINC000351134511 487653686 /nfs/dbraw/zinc/65/36/86/487653686.db2.gz WVCADSPXWSZPCY-UHFFFAOYSA-N 1 2 231.299 2.682 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000228482464 487656698 /nfs/dbraw/zinc/65/66/98/487656698.db2.gz SEZKGEJOOWILLE-DTWKUNHWSA-N 1 2 229.270 2.999 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1)C(F)F ZINC000228487024 487657860 /nfs/dbraw/zinc/65/78/60/487657860.db2.gz IBYUXEOZHOPGLV-ZETCQYMHSA-N 1 2 203.207 2.569 20 0 BFADLO Cc1ccc(NCCC2CCOCC2)c[nH+]1 ZINC000653463054 487658034 /nfs/dbraw/zinc/65/80/34/487658034.db2.gz ZAQRTKCBRAIHJC-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)OCO2 ZINC000228493048 487662707 /nfs/dbraw/zinc/66/27/07/487662707.db2.gz YDZJHRJUZCHYLF-YUMQZZPRSA-N 1 2 243.253 2.720 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cc(C)cc(C)c1)C(=O)OC ZINC000182922045 487665201 /nfs/dbraw/zinc/66/52/01/487665201.db2.gz RSVUCNRHYQQMFW-JSGCOSHPSA-N 1 2 249.354 2.906 20 0 BFADLO CCOc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000228504785 487667460 /nfs/dbraw/zinc/66/74/60/487667460.db2.gz VTKJRWCQSYEGEL-SECBINFHSA-N 1 2 229.270 2.829 20 0 BFADLO Cc1nocc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424191444 229159170 /nfs/dbraw/zinc/15/91/70/229159170.db2.gz HMAYGWBVNZIYKA-ZIAGYGMSSA-N 1 2 246.285 2.710 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)C[C@@H](C)C1 ZINC000527824003 262887133 /nfs/dbraw/zinc/88/71/33/262887133.db2.gz XNZHMNCNNFBCFC-GHMZBOCLSA-N 1 2 220.316 2.573 20 0 BFADLO CCC1(CC)C[NH+](Cc2ccn(C(F)F)n2)C1 ZINC000459576720 262914878 /nfs/dbraw/zinc/91/48/78/262914878.db2.gz FQCDNIXZWIIQPI-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CC(C)c1nnc(CCNc2cccc[nH+]2)s1 ZINC000488754080 262914963 /nfs/dbraw/zinc/91/49/63/262914963.db2.gz STISSNQEDLJCJH-UHFFFAOYSA-N 1 2 248.355 2.711 20 0 BFADLO C[C@H]1CC[C@@H](CNc2ccc3ccccc3[nH+]2)O1 ZINC000397900579 262939837 /nfs/dbraw/zinc/93/98/37/262939837.db2.gz SBKKCGGXOJWUFQ-AAEUAGOBSA-N 1 2 242.322 2.636 20 0 BFADLO COc1ccc(N[C@H](C)c2cncc(C)c2)[nH+]c1 ZINC000681053902 487708433 /nfs/dbraw/zinc/70/84/33/487708433.db2.gz FOZWKPWADPXLFG-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc2c1CCC2 ZINC000668422180 487727541 /nfs/dbraw/zinc/72/75/41/487727541.db2.gz SHZSUVFASUKTKN-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO Cn1cc[nH+]c1CSc1ccc2c(c1)CCO2 ZINC000665687442 487729449 /nfs/dbraw/zinc/72/94/49/487729449.db2.gz QEIVKJNNIZUGDS-UHFFFAOYSA-N 1 2 246.335 2.647 20 0 BFADLO CCc1cc(N[C@@H](C)[C@@](C)(OC)C2CC2)nc[nH+]1 ZINC000665745788 487747162 /nfs/dbraw/zinc/74/71/62/487747162.db2.gz KCANAQQDFCQDEH-IINYFYTJSA-N 1 2 249.358 2.655 20 0 BFADLO COc1ccc(N[C@@H](C)[C@H]2CC2(F)F)[nH+]c1 ZINC000665749098 487754894 /nfs/dbraw/zinc/75/48/94/487754894.db2.gz YIYDGUSESWHROP-IONNQARKSA-N 1 2 228.242 2.546 20 0 BFADLO COCC[C@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000668441363 487760081 /nfs/dbraw/zinc/76/00/81/487760081.db2.gz UHRVEPVZSHBFPO-NSHDSACASA-N 1 2 234.343 2.797 20 0 BFADLO C[C@H](Nc1c[nH+]cc2c1CCCC2)[C@@H]1CCOC1 ZINC000668441599 487760129 /nfs/dbraw/zinc/76/01/29/487760129.db2.gz VPHOYGZYKCEPPJ-WCQYABFASA-N 1 2 246.354 2.797 20 0 BFADLO c1[nH+]cc(NCC[C@H]2CCOC2)c2c1CCCC2 ZINC000668441810 487759832 /nfs/dbraw/zinc/75/98/32/487759832.db2.gz WNORZGBUGXUYPO-LBPRGKRZSA-N 1 2 246.354 2.799 20 0 BFADLO c1[nH+]cc(NCC[C@@H]2CCOC2)c2c1CCCC2 ZINC000668441807 487760161 /nfs/dbraw/zinc/76/01/61/487760161.db2.gz WNORZGBUGXUYPO-GFCCVEGCSA-N 1 2 246.354 2.799 20 0 BFADLO Cc1ccc(N[C@@H]2CO[C@H](C3CC3)C2)c(C)[nH+]1 ZINC000667912916 487760448 /nfs/dbraw/zinc/76/04/48/487760448.db2.gz RAWFEWYLBGDGIO-JSGCOSHPSA-N 1 2 232.327 2.678 20 0 BFADLO CCC[N@H+](CC)Cn1nc(C)sc1=S ZINC000750603879 585217905 /nfs/dbraw/zinc/21/79/05/585217905.db2.gz QYVVBZRLXXWYCO-UHFFFAOYSA-N 1 2 231.390 2.672 20 0 BFADLO CCC[N@@H+](CC)Cn1nc(C)sc1=S ZINC000750603879 585217906 /nfs/dbraw/zinc/21/79/06/585217906.db2.gz QYVVBZRLXXWYCO-UHFFFAOYSA-N 1 2 231.390 2.672 20 0 BFADLO CC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1F ZINC000163833898 487773371 /nfs/dbraw/zinc/77/33/71/487773371.db2.gz CWGCPFIOVRFVIX-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO Cc1cc(N2CC[C@H](C)[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC000679193863 487777200 /nfs/dbraw/zinc/77/72/00/487777200.db2.gz XVZXYKXHLCCBEC-JOYOIKCWSA-N 1 2 249.333 2.847 20 0 BFADLO Cc1cc(N2CC[C@H](C)[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC000679193862 487777270 /nfs/dbraw/zinc/77/72/70/487777270.db2.gz XVZXYKXHLCCBEC-CABZTGNLSA-N 1 2 249.333 2.847 20 0 BFADLO CSC[C@@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000767905416 585528302 /nfs/dbraw/zinc/52/83/02/585528302.db2.gz GQFABMPOIZZVKU-ZETCQYMHSA-N 1 2 245.285 2.714 20 0 BFADLO CSC[C@@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000767905416 585528303 /nfs/dbraw/zinc/52/83/03/585528303.db2.gz GQFABMPOIZZVKU-ZETCQYMHSA-N 1 2 245.285 2.714 20 0 BFADLO c1cc(C[NH2+][C@@H]2CCCOc3ccccc32)no1 ZINC000675926381 487792173 /nfs/dbraw/zinc/79/21/73/487792173.db2.gz VZAZMVYBVKYLOO-CYBMUJFWSA-N 1 2 244.294 2.678 20 0 BFADLO CC[C@](C)(NC(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000666493480 487820345 /nfs/dbraw/zinc/82/03/45/487820345.db2.gz FWWZZDKXPSBTIC-AWEZNQCLSA-N 1 2 247.342 2.512 20 0 BFADLO CC(C)n1ccnc1C[NH2+]Cc1ccccc1F ZINC000676362571 487841544 /nfs/dbraw/zinc/84/15/44/487841544.db2.gz FQANMCLRNUCPFB-UHFFFAOYSA-N 1 2 247.317 2.893 20 0 BFADLO Cc1c[nH+]cc(NC[C@@H]2CC2(Cl)Cl)c1 ZINC000877114897 590287912 /nfs/dbraw/zinc/28/79/12/590287912.db2.gz BGELXBSJWUPDDB-QMMMGPOBSA-N 1 2 231.126 2.996 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCCC1CC1 ZINC000654000431 487846643 /nfs/dbraw/zinc/84/66/43/487846643.db2.gz SWTUXUBSVFTEBP-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000684392899 487857443 /nfs/dbraw/zinc/85/74/43/487857443.db2.gz SJXCXIIQTUSWAF-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000684392899 487857445 /nfs/dbraw/zinc/85/74/45/487857445.db2.gz SJXCXIIQTUSWAF-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000671768264 487869639 /nfs/dbraw/zinc/86/96/39/487869639.db2.gz XRZQBJUQSSRNTJ-SSDOTTSWSA-N 1 2 247.264 2.711 20 0 BFADLO Cc1nc(C[N@@H+](Cc2ccco2)C(C)C)co1 ZINC000659856247 487871451 /nfs/dbraw/zinc/87/14/51/487871451.db2.gz BIPRDYKGXJFRNS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1nc(C[N@H+](Cc2ccco2)C(C)C)co1 ZINC000659856247 487871454 /nfs/dbraw/zinc/87/14/54/487871454.db2.gz BIPRDYKGXJFRNS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCC1CCCCC1 ZINC000682032554 487885402 /nfs/dbraw/zinc/88/54/02/487885402.db2.gz HJOBXAGIPOWGCD-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCC1CCCCC1 ZINC000682032554 487885406 /nfs/dbraw/zinc/88/54/06/487885406.db2.gz HJOBXAGIPOWGCD-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO Cc1cscc1NC(=O)CCCn1cc[nH+]c1 ZINC000676664561 487888509 /nfs/dbraw/zinc/88/85/09/487888509.db2.gz WUHSLQPVUURWCK-UHFFFAOYSA-N 1 2 249.339 2.672 20 0 BFADLO Cc1noc(C[N@@H+](C)C(C)(C)c2ccccc2)n1 ZINC000671245381 487888712 /nfs/dbraw/zinc/88/87/12/487888712.db2.gz ARXVFRNREXAPKC-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO Cc1noc(C[N@H+](C)C(C)(C)c2ccccc2)n1 ZINC000671245381 487888716 /nfs/dbraw/zinc/88/87/16/487888716.db2.gz ARXVFRNREXAPKC-UHFFFAOYSA-N 1 2 245.326 2.745 20 0 BFADLO Fc1cccc2c1C[N@H+](CC1(F)CC1)CCO2 ZINC000670271762 487892754 /nfs/dbraw/zinc/89/27/54/487892754.db2.gz KYKGEJSURJERGL-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO Fc1cccc2c1C[N@@H+](CC1(F)CC1)CCO2 ZINC000670271762 487892759 /nfs/dbraw/zinc/89/27/59/487892759.db2.gz KYKGEJSURJERGL-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=CCC1 ZINC000679323496 487903253 /nfs/dbraw/zinc/90/32/53/487903253.db2.gz YJXAEQIBWASUJG-SNVBAGLBSA-N 1 2 235.331 2.690 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=CCC1 ZINC000679323496 487903262 /nfs/dbraw/zinc/90/32/62/487903262.db2.gz YJXAEQIBWASUJG-SNVBAGLBSA-N 1 2 235.331 2.690 20 0 BFADLO c1ccc2[nH+]c(N3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC000672323283 487908394 /nfs/dbraw/zinc/90/83/94/487908394.db2.gz DGYIPOGMSIPCPY-SKDRFNHKSA-N 1 2 213.284 2.552 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2nc(C)ccc2O)c1 ZINC000404551712 487927191 /nfs/dbraw/zinc/92/71/91/487927191.db2.gz MCQRVTJCBSYLMV-UHFFFAOYSA-N 1 2 243.310 2.720 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)c(C)s1 ZINC000676791975 487928847 /nfs/dbraw/zinc/92/88/47/487928847.db2.gz GILYHHBDJGNJFA-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)c(C)s1 ZINC000676791975 487928852 /nfs/dbraw/zinc/92/88/52/487928852.db2.gz GILYHHBDJGNJFA-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3cn[nH]c3C2)c(C)s1 ZINC000676791975 487928854 /nfs/dbraw/zinc/92/88/54/487928854.db2.gz GILYHHBDJGNJFA-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1cc(C[N@H+]2CCc3cn[nH]c3C2)c(C)s1 ZINC000676791975 487928858 /nfs/dbraw/zinc/92/88/58/487928858.db2.gz GILYHHBDJGNJFA-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676793665 487931045 /nfs/dbraw/zinc/93/10/45/487931045.db2.gz QBYNYSDTWLNJNM-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676793665 487931050 /nfs/dbraw/zinc/93/10/50/487931050.db2.gz QBYNYSDTWLNJNM-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO CCOC1CC(Nc2c[nH+]ccc2CC)C1 ZINC000651979510 487939063 /nfs/dbraw/zinc/93/90/63/487939063.db2.gz WTSNTPMNWSKMBJ-UHFFFAOYSA-N 1 2 220.316 2.623 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)C2CC(C)(C)C2)[nH+]1 ZINC000652403466 487944910 /nfs/dbraw/zinc/94/49/10/487944910.db2.gz FSHJNOWMJYYVFO-UHFFFAOYSA-N 1 2 249.358 2.506 20 0 BFADLO CCC[C@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000566359020 322991342 /nfs/dbraw/zinc/99/13/42/322991342.db2.gz CBFKDOZYNSCGPM-ZDUSSCGKSA-N 1 2 247.386 2.952 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000562722100 323029019 /nfs/dbraw/zinc/02/90/19/323029019.db2.gz IJMBZIHZZWUMCR-USWWRNFRSA-N 1 2 242.326 2.867 20 0 BFADLO Fc1cccc2c1C[N@H+](CC1(F)CC1)CC2 ZINC000569758055 323039919 /nfs/dbraw/zinc/03/99/19/323039919.db2.gz YQAVVMBUVSTZGP-UHFFFAOYSA-N 1 2 223.266 2.686 20 0 BFADLO Fc1cccc2c1C[N@@H+](CC1(F)CC1)CC2 ZINC000569758055 323039920 /nfs/dbraw/zinc/03/99/20/323039920.db2.gz YQAVVMBUVSTZGP-UHFFFAOYSA-N 1 2 223.266 2.686 20 0 BFADLO CCC[C@@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570049795 323048073 /nfs/dbraw/zinc/04/80/73/323048073.db2.gz IHQFLNOQXIDJIS-VXGBXAGGSA-N 1 2 237.347 2.529 20 0 BFADLO Cc1nnsc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000572606486 323052453 /nfs/dbraw/zinc/05/24/53/323052453.db2.gz UWWFLSMUKMQCHM-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO Cc1nnsc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000572606486 323052454 /nfs/dbraw/zinc/05/24/54/323052454.db2.gz UWWFLSMUKMQCHM-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160252304 323064521 /nfs/dbraw/zinc/06/45/21/323064521.db2.gz BKSLYLGREORZIX-GXTWGEPZSA-N 1 2 249.354 2.987 20 0 BFADLO CCC[C@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000522068257 323079647 /nfs/dbraw/zinc/07/96/47/323079647.db2.gz HMZHTWZUSRXTHG-RYUDHWBXSA-N 1 2 249.358 2.807 20 0 BFADLO CCC[C@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000522068256 323079656 /nfs/dbraw/zinc/07/96/56/323079656.db2.gz HMZHTWZUSRXTHG-NWDGAFQWSA-N 1 2 249.358 2.807 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000110058630 323112769 /nfs/dbraw/zinc/11/27/69/323112769.db2.gz VSPICGFJKUBTOC-AWEZNQCLSA-N 1 2 245.301 2.634 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC23CCCC3)c(C)c[nH+]1 ZINC000534299498 323115847 /nfs/dbraw/zinc/11/58/47/323115847.db2.gz FFDBNEAUFULZDI-LBPRGKRZSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1cc(NC(=O)NC2(C)CCCC2)c(C)c[nH+]1 ZINC000534323660 323116426 /nfs/dbraw/zinc/11/64/26/323116426.db2.gz VYXVOVRLEREPDE-UHFFFAOYSA-N 1 2 247.342 2.575 20 0 BFADLO CCc1nc(C[N@H+](C)Cc2ccn(C)c2)cs1 ZINC000534349676 323117499 /nfs/dbraw/zinc/11/74/99/323117499.db2.gz VFSQDMIFQWQFEC-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1nc(C[N@@H+](C)Cc2ccn(C)c2)cs1 ZINC000534349676 323117500 /nfs/dbraw/zinc/11/75/00/323117500.db2.gz VFSQDMIFQWQFEC-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CC[C@](C)([NH2+]CC[C@@H]1CCCO1)C(F)(F)F ZINC000310030440 323127386 /nfs/dbraw/zinc/12/73/86/323127386.db2.gz QWRDFUAILCLPLO-UWVGGRQHSA-N 1 2 239.281 2.876 20 0 BFADLO CC[C@](C)([NH2+]CC[C@H]1CCCO1)C(F)(F)F ZINC000310030442 323127426 /nfs/dbraw/zinc/12/74/26/323127426.db2.gz QWRDFUAILCLPLO-ZJUUUORDSA-N 1 2 239.281 2.876 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H]2C=CCCCCC2)no1 ZINC000563634105 323133045 /nfs/dbraw/zinc/13/30/45/323133045.db2.gz BLNZKHRVAHZODC-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H]2C=CCCCCC2)no1 ZINC000563634105 323133046 /nfs/dbraw/zinc/13/30/46/323133046.db2.gz BLNZKHRVAHZODC-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO COC(C)(C)C[N@H+](C)Cc1ncc(Cl)s1 ZINC000546741489 323170685 /nfs/dbraw/zinc/17/06/85/323170685.db2.gz ADOQDXUXNVKWTB-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COC(C)(C)C[N@@H+](C)Cc1ncc(Cl)s1 ZINC000546741489 323170686 /nfs/dbraw/zinc/17/06/86/323170686.db2.gz ADOQDXUXNVKWTB-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152401113 323180800 /nfs/dbraw/zinc/18/08/00/323180800.db2.gz HEHMGRVJRPWSFT-QMMMGPOBSA-N 1 2 221.304 2.618 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000563869057 323181761 /nfs/dbraw/zinc/18/17/61/323181761.db2.gz VHTYFZTWLQJKKS-OALRPVAKSA-N 1 2 243.310 2.742 20 0 BFADLO CCC[C@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000536619303 323198754 /nfs/dbraw/zinc/19/87/54/323198754.db2.gz YVJOIQHWJPYKKI-LBPRGKRZSA-N 1 2 249.358 2.821 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccc(O)c2)o1 ZINC000536741033 323202602 /nfs/dbraw/zinc/20/26/02/323202602.db2.gz FCXCHQBHSGZEHK-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccc(O)c2)o1 ZINC000536741033 323202603 /nfs/dbraw/zinc/20/26/03/323202603.db2.gz FCXCHQBHSGZEHK-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO COC(C)(C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000532327147 323251236 /nfs/dbraw/zinc/25/12/36/323251236.db2.gz OXFOPNIBQZRKCI-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc[nH+]c1NCc1ccc2nc[nH]c2c1 ZINC000532870384 323305418 /nfs/dbraw/zinc/30/54/18/323305418.db2.gz INHVYVNKXVZOOF-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CC[C@@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000527922954 323729588 /nfs/dbraw/zinc/72/95/88/323729588.db2.gz ZAGRNBSEQMOEOB-ZDUSSCGKSA-N 1 2 220.316 2.717 20 0 BFADLO C[C@@H]1CC(F)(F)CCN1c1cccc[nH+]1 ZINC000528205263 323780027 /nfs/dbraw/zinc/78/00/27/323780027.db2.gz JREIDOWYGUXPMX-SECBINFHSA-N 1 2 212.243 2.706 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548754617 323859339 /nfs/dbraw/zinc/85/93/39/323859339.db2.gz BBMNJIKCYUMIJC-OBJOEFQTSA-N 1 2 247.338 2.774 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cnn(CC)c2)o1 ZINC000537626137 324089285 /nfs/dbraw/zinc/08/92/85/324089285.db2.gz HYUQOTDQCYPUBK-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cnn(CC)c2)o1 ZINC000537626137 324089289 /nfs/dbraw/zinc/08/92/89/324089289.db2.gz HYUQOTDQCYPUBK-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000073261478 324111047 /nfs/dbraw/zinc/11/10/47/324111047.db2.gz MNLFZJQPZCUEIM-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000073261478 324111049 /nfs/dbraw/zinc/11/10/49/324111049.db2.gz MNLFZJQPZCUEIM-GFCCVEGCSA-N 1 2 249.354 2.803 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCC2(C)C)c[nH+]1 ZINC000529566380 324345296 /nfs/dbraw/zinc/34/52/96/324345296.db2.gz OWDNPLCITDYALA-NSHDSACASA-N 1 2 249.358 2.664 20 0 BFADLO CNc1ccc(-c2ccc(OC3CC3)cc2)c[nH+]1 ZINC000530248397 324558521 /nfs/dbraw/zinc/55/85/21/324558521.db2.gz LXJVALUYVJNBCN-UHFFFAOYSA-N 1 2 240.306 2.753 20 0 BFADLO CC(C)(C)c1nc(Cn2cc[nH+]c2)cs1 ZINC000126672400 324708641 /nfs/dbraw/zinc/70/86/41/324708641.db2.gz WKGZCHCXVOHHEV-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2c(C)cccc2C)o1 ZINC000543540934 325093238 /nfs/dbraw/zinc/09/32/38/325093238.db2.gz MAXYRBQTXWDCHK-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cncs1 ZINC000131249802 325129986 /nfs/dbraw/zinc/12/99/86/325129986.db2.gz LZAIQJYKTWNLTQ-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000544513874 325145338 /nfs/dbraw/zinc/14/53/38/325145338.db2.gz UZJWHIICBVTCET-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000544515977 325146298 /nfs/dbraw/zinc/14/62/98/325146298.db2.gz SYCQPZLPBVHPJW-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO O=C(CCn1cc[nH+]c1)Nc1cccc(Cl)c1 ZINC000072615580 325161059 /nfs/dbraw/zinc/16/10/59/325161059.db2.gz IMNMUIGHYKECFW-UHFFFAOYSA-N 1 2 249.701 2.565 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1cc(F)ccc1F ZINC000132451796 325217473 /nfs/dbraw/zinc/21/74/73/325217473.db2.gz DIIQGXLYZBZMLT-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1cc(F)ccc1F ZINC000132451796 325217476 /nfs/dbraw/zinc/21/74/76/325217476.db2.gz DIIQGXLYZBZMLT-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)c1nccs1 ZINC000234949949 325243905 /nfs/dbraw/zinc/24/39/05/325243905.db2.gz WCPGIKBZQGFYGH-VIFPVBQESA-N 1 2 249.339 2.762 20 0 BFADLO CC(C)Oc1cccc(Cn2cc[nH+]c2)c1 ZINC000076829883 325357455 /nfs/dbraw/zinc/35/74/55/325357455.db2.gz ZNWBQZLSKYWIBA-UHFFFAOYSA-N 1 2 216.284 2.719 20 0 BFADLO CC[C@H]([NH2+]CC(C)(C)c1ccccc1)C(=O)OC ZINC000134970639 325385299 /nfs/dbraw/zinc/38/52/99/325385299.db2.gz SHZUCDNBFMPBFW-ZDUSSCGKSA-N 1 2 249.354 2.505 20 0 BFADLO CC[C@H](COC)Nc1c[nH+]c2c(c1)CCCC2 ZINC000548195696 325440588 /nfs/dbraw/zinc/44/05/88/325440588.db2.gz HVGVJNIELJMCGO-GFCCVEGCSA-N 1 2 234.343 2.797 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000245594990 325516795 /nfs/dbraw/zinc/51/67/95/325516795.db2.gz LIXKDYLPQQDOLS-ZSBIGDGJSA-N 1 2 249.358 2.968 20 0 BFADLO C[C@H](CC(=O)NC1CCCCCC1)n1cc[nH+]c1 ZINC000551757369 325567514 /nfs/dbraw/zinc/56/75/14/325567514.db2.gz CAUGGEZOAAMLES-GFCCVEGCSA-N 1 2 249.358 2.673 20 0 BFADLO CCC(CC)([NH2+]Cc1ccccc1C)C(=O)OC ZINC000554849133 325738188 /nfs/dbraw/zinc/73/81/88/325738188.db2.gz VMTDWAVAGAXATP-UHFFFAOYSA-N 1 2 249.354 2.816 20 0 BFADLO COc1ccc(CC[C@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000556270481 325788512 /nfs/dbraw/zinc/78/85/12/325788512.db2.gz JIPCDGUNHMGIMX-NSHDSACASA-N 1 2 245.326 2.852 20 0 BFADLO Clc1cc2c(c(CNc3c[nH]c[nH+]3)c1)OCC2 ZINC000556270694 325788885 /nfs/dbraw/zinc/78/88/85/325788885.db2.gz QFVDZLROOABAQR-UHFFFAOYSA-N 1 2 249.701 2.610 20 0 BFADLO Cc1occc1CN(C)c1nc(C)[nH+]cc1C ZINC000566479819 326051420 /nfs/dbraw/zinc/05/14/20/326051420.db2.gz SZNQBVFEVMRLIN-UHFFFAOYSA-N 1 2 231.299 2.631 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccnc(OC)c1)C(F)F ZINC000566474412 326053508 /nfs/dbraw/zinc/05/35/08/326053508.db2.gz GANUVMFWLVRZSV-WPRPVWTQSA-N 1 2 244.285 2.785 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N1CCC[C@H]1C ZINC000566479225 326055227 /nfs/dbraw/zinc/05/52/27/326055227.db2.gz NQFIVLACAMFNEF-SECBINFHSA-N 1 2 247.342 2.660 20 0 BFADLO Cc1ccc2c(c1)CN(c1nc(C)[nH+]cc1C)C2 ZINC000566485664 326057171 /nfs/dbraw/zinc/05/71/71/326057171.db2.gz QNRXRGCZNFSQEC-UHFFFAOYSA-N 1 2 239.322 2.922 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncccn2)oc1C ZINC000566688793 326074456 /nfs/dbraw/zinc/07/44/56/326074456.db2.gz BSPVPJVKHBBSRV-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)[C@@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000566953176 326096709 /nfs/dbraw/zinc/09/67/09/326096709.db2.gz USKLLOJWCPNUOP-SNVBAGLBSA-N 1 2 244.342 2.523 20 0 BFADLO CC(C)C[C@H](C)CC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567032564 326103906 /nfs/dbraw/zinc/10/39/06/326103906.db2.gz XDBHHMCODNQKIA-WDEREUQCSA-N 1 2 237.347 2.659 20 0 BFADLO CCc1nc(C(=O)Nc2ccc(C)[nH+]c2C)co1 ZINC000156465919 326233448 /nfs/dbraw/zinc/23/34/48/326233448.db2.gz CQDUMVAEMMDUOR-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000568054643 326301754 /nfs/dbraw/zinc/30/17/54/326301754.db2.gz YJEKWLALZXLHPJ-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000568054643 326301755 /nfs/dbraw/zinc/30/17/55/326301755.db2.gz YJEKWLALZXLHPJ-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC2(C1)CCCCC2 ZINC000568250694 326334964 /nfs/dbraw/zinc/33/49/64/326334964.db2.gz YSXIJLWMTQXBGY-UHFFFAOYSA-N 1 2 231.343 2.864 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)C(F)(F)C1 ZINC000568250517 326335181 /nfs/dbraw/zinc/33/51/81/326335181.db2.gz SDZPQRURRQWYHS-VIFPVBQESA-N 1 2 241.285 2.575 20 0 BFADLO COc1ccc2oc(CNc3c[nH]c[nH+]3)cc2c1 ZINC000568350395 326347545 /nfs/dbraw/zinc/34/75/45/326347545.db2.gz PMWYKPKRYASGAM-UHFFFAOYSA-N 1 2 243.266 2.777 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C)n2)no1 ZINC000568946508 326383112 /nfs/dbraw/zinc/38/31/12/326383112.db2.gz IFXFWAZGDYRLID-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO CCC[C@@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000665690212 487987956 /nfs/dbraw/zinc/98/79/56/487987956.db2.gz AWIXOZLPNBYFTR-SECBINFHSA-N 1 2 220.320 2.651 20 0 BFADLO CCC[C@@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000665690212 487987962 /nfs/dbraw/zinc/98/79/62/487987962.db2.gz AWIXOZLPNBYFTR-SECBINFHSA-N 1 2 220.320 2.651 20 0 BFADLO OC[C@@H](CC1CC1)Nc1ccc2ccccc2[nH+]1 ZINC000677237730 488003977 /nfs/dbraw/zinc/00/39/77/488003977.db2.gz YVOUKLPSJVBUHK-CYBMUJFWSA-N 1 2 242.322 2.808 20 0 BFADLO CCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1F ZINC000682671648 488009448 /nfs/dbraw/zinc/00/94/48/488009448.db2.gz CMDRMCUEKMEPKF-QMMMGPOBSA-N 1 2 247.260 2.968 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1ccco1 ZINC000667479337 488023092 /nfs/dbraw/zinc/02/30/92/488023092.db2.gz BGTZMXGBSNGCRK-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1ccco1 ZINC000667479337 488023098 /nfs/dbraw/zinc/02/30/98/488023098.db2.gz BGTZMXGBSNGCRK-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccnn1CC1CC1 ZINC000667545115 488041578 /nfs/dbraw/zinc/04/15/78/488041578.db2.gz XZHGOFGMRAMXCN-UHFFFAOYSA-N 1 2 245.326 2.518 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccnn1CC1CC1 ZINC000667545115 488041583 /nfs/dbraw/zinc/04/15/83/488041583.db2.gz XZHGOFGMRAMXCN-UHFFFAOYSA-N 1 2 245.326 2.518 20 0 BFADLO FC(F)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000147739600 488055816 /nfs/dbraw/zinc/05/58/16/488055816.db2.gz SZYNSXHMISSGHN-UHFFFAOYSA-N 1 2 210.227 2.523 20 0 BFADLO Cn1ccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)n1 ZINC000678284136 488067967 /nfs/dbraw/zinc/06/79/67/488067967.db2.gz VVERNHVZWWHNBX-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)n1 ZINC000678284136 488067972 /nfs/dbraw/zinc/06/79/72/488067972.db2.gz VVERNHVZWWHNBX-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccsc2)on1 ZINC000053402430 488068951 /nfs/dbraw/zinc/06/89/51/488068951.db2.gz YOOBQXPBXDOVQV-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccsc2)on1 ZINC000053402430 488068954 /nfs/dbraw/zinc/06/89/54/488068954.db2.gz YOOBQXPBXDOVQV-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCn1cncc1C[N@H+](CC)CCC(F)(F)F ZINC000669500231 488078020 /nfs/dbraw/zinc/07/80/20/488078020.db2.gz ILZNMMPQXFPYIH-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCn1cncc1C[N@@H+](CC)CCC(F)(F)F ZINC000669500231 488078024 /nfs/dbraw/zinc/07/80/24/488078024.db2.gz ILZNMMPQXFPYIH-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCN(CCC(F)(F)F)Cc1c[nH+]cn1CC ZINC000669500231 488078028 /nfs/dbraw/zinc/07/80/28/488078028.db2.gz ILZNMMPQXFPYIH-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000680335243 488085985 /nfs/dbraw/zinc/08/59/85/488085985.db2.gz SHRDWMYDSHQEJC-MWLCHTKSSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000680335243 488085990 /nfs/dbraw/zinc/08/59/90/488085990.db2.gz SHRDWMYDSHQEJC-MWLCHTKSSA-N 1 2 242.363 2.885 20 0 BFADLO CCn1ccc(C[N@@H+](C)[C@@H](C)c2ncc(C)o2)c1 ZINC000683029743 488099055 /nfs/dbraw/zinc/09/90/55/488099055.db2.gz PXINXQFKRCCHJQ-LBPRGKRZSA-N 1 2 247.342 2.997 20 0 BFADLO CCn1ccc(C[N@H+](C)[C@@H](C)c2ncc(C)o2)c1 ZINC000683029743 488099050 /nfs/dbraw/zinc/09/90/50/488099050.db2.gz PXINXQFKRCCHJQ-LBPRGKRZSA-N 1 2 247.342 2.997 20 0 BFADLO CCn1ccc(C[N@@H+](C)[C@H](C)c2ncc(C)o2)c1 ZINC000683029742 488099454 /nfs/dbraw/zinc/09/94/54/488099454.db2.gz PXINXQFKRCCHJQ-GFCCVEGCSA-N 1 2 247.342 2.997 20 0 BFADLO CCn1ccc(C[N@H+](C)[C@H](C)c2ncc(C)o2)c1 ZINC000683029742 488099451 /nfs/dbraw/zinc/09/94/51/488099451.db2.gz PXINXQFKRCCHJQ-GFCCVEGCSA-N 1 2 247.342 2.997 20 0 BFADLO C[C@H](Nc1c[nH+]c2c(c1)CCCC2)[C@@H]1CCCO1 ZINC000680348798 488100181 /nfs/dbraw/zinc/10/01/81/488100181.db2.gz DMWGGTGUPXQBMB-NHYWBVRUSA-N 1 2 246.354 2.940 20 0 BFADLO CN(CCOC(C)(C)C)c1[nH]c2ccccc2[nH+]1 ZINC000677809408 488128757 /nfs/dbraw/zinc/12/87/57/488128757.db2.gz XAVALDHSLFVZQT-UHFFFAOYSA-N 1 2 247.342 2.814 20 0 BFADLO CC(C)(C)c1cc(C[N@H+]2CC=CCC2)no1 ZINC000685571785 487552433 /nfs/dbraw/zinc/55/24/33/487552433.db2.gz UYVXMJKOZOZTJR-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO CC(C)(C)c1cc(C[N@@H+]2CC=CCC2)no1 ZINC000685571785 487552435 /nfs/dbraw/zinc/55/24/35/487552435.db2.gz UYVXMJKOZOZTJR-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO c1nc(-c2ccccc2)[nH]c1C[NH+]1CC2(CC2)C1 ZINC000334743840 487554294 /nfs/dbraw/zinc/55/42/94/487554294.db2.gz WUQHYAXKYOUURN-UHFFFAOYSA-N 1 2 239.322 2.673 20 0 BFADLO c1[nH]c(-c2ccccc2)nc1C[NH+]1CC2(CC2)C1 ZINC000334743840 487554302 /nfs/dbraw/zinc/55/43/02/487554302.db2.gz WUQHYAXKYOUURN-UHFFFAOYSA-N 1 2 239.322 2.673 20 0 BFADLO CCc1cnc(C[NH2+][C@H](C)c2cnccc2C)o1 ZINC000679940146 487498458 /nfs/dbraw/zinc/49/84/58/487498458.db2.gz LDOLXOCRKPXMRF-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cnccc2C)oc1C ZINC000679939999 487498180 /nfs/dbraw/zinc/49/81/80/487498180.db2.gz IUFFTUCRNIOICK-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCC1(C)C[NH+](Cc2nccn2C(C)C)C1 ZINC000668233767 487508387 /nfs/dbraw/zinc/50/83/87/487508387.db2.gz LOJYPWYIDNLNSQ-UHFFFAOYSA-N 1 2 221.348 2.696 20 0 BFADLO CCn1nccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674135165 487524527 /nfs/dbraw/zinc/52/45/27/487524527.db2.gz AIXXFCPNOQZSOE-UHFFFAOYSA-N 1 2 243.301 2.571 20 0 BFADLO C[C@H]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)O1 ZINC000665728955 487526885 /nfs/dbraw/zinc/52/68/85/487526885.db2.gz AFSCFEPRJVPIHK-QWRGUYRKSA-N 1 2 249.358 2.754 20 0 BFADLO c1cc2[nH+]ccc(N3CCC[C@@H]4C[C@@H]43)c2cn1 ZINC000672322851 487894719 /nfs/dbraw/zinc/89/47/19/487894719.db2.gz PKGBBZXZRKUOLW-YGRLFVJLSA-N 1 2 225.295 2.619 20 0 BFADLO CC[C@@H]1C[C@H](Nc2ccc(C)[nH+]c2)CCO1 ZINC000164789753 487895685 /nfs/dbraw/zinc/89/56/85/487895685.db2.gz UFORVHHGAKKKLD-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@@H]2C[C@@H]21 ZINC000644865292 488092683 /nfs/dbraw/zinc/09/26/83/488092683.db2.gz LCAXTCVROAXVEC-SKDRFNHKSA-N 1 2 245.301 2.701 20 0 BFADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000677845621 488139604 /nfs/dbraw/zinc/13/96/04/488139604.db2.gz JJOHAGLHLCLNDJ-ZDUSSCGKSA-N 1 2 247.729 2.840 20 0 BFADLO Cc1ccccc1C(F)(F)C[NH2+]C1CSC1 ZINC000668711448 488152851 /nfs/dbraw/zinc/15/28/51/488152851.db2.gz QBQGEEWXXXLPGM-UHFFFAOYSA-N 1 2 243.322 2.792 20 0 BFADLO CCN(CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667949273 488166296 /nfs/dbraw/zinc/16/62/96/488166296.db2.gz ZVOLLJSDFWFZNP-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO Cc1cccn2c(NC(=O)NC(C)(C)C)c[nH+]c12 ZINC000667953411 488167364 /nfs/dbraw/zinc/16/73/64/488167364.db2.gz ZCONVKMRBLDGME-UHFFFAOYSA-N 1 2 246.314 2.563 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000134965111 488170230 /nfs/dbraw/zinc/17/02/30/488170230.db2.gz HGWCUBPGHDFSGI-AAEUAGOBSA-N 1 2 235.327 2.597 20 0 BFADLO CC[N@H+](C[C@@H](C)CO)c1cc(C)ccc1C ZINC000678046135 488182709 /nfs/dbraw/zinc/18/27/09/488182709.db2.gz LVMOTJZGPIVNFJ-GFCCVEGCSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@@H](C)CO)c1cc(C)ccc1C ZINC000678046135 488182714 /nfs/dbraw/zinc/18/27/14/488182714.db2.gz LVMOTJZGPIVNFJ-GFCCVEGCSA-N 1 2 221.344 2.758 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000678054084 488188513 /nfs/dbraw/zinc/18/85/13/488188513.db2.gz XPYVWVKXIVQQKL-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCCC2 ZINC000231367304 488202376 /nfs/dbraw/zinc/20/23/76/488202376.db2.gz WXCUIVJIEPUHJN-UHFFFAOYSA-N 1 2 212.296 2.966 20 0 BFADLO CCn1c[nH+]cc1CNc1cnccc1SC ZINC000669547587 488204400 /nfs/dbraw/zinc/20/44/00/488204400.db2.gz IHGPKWKBIYXJDW-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO C[C@@H]([NH2+]CC(F)F)c1cc2cnccc2o1 ZINC000668146456 488209007 /nfs/dbraw/zinc/20/90/07/488209007.db2.gz HPOAWQJRQSNWPE-SSDOTTSWSA-N 1 2 226.226 2.744 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCCc2sccc2C1 ZINC000678259137 488227713 /nfs/dbraw/zinc/22/77/13/488227713.db2.gz CPKFXLQBMNLVFJ-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCCc2sccc2C1 ZINC000678259137 488227716 /nfs/dbraw/zinc/22/77/16/488227716.db2.gz CPKFXLQBMNLVFJ-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1n[nH]c2ccccc21 ZINC000678294679 488238116 /nfs/dbraw/zinc/23/81/16/488238116.db2.gz PLCXCZKOOJIACE-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1n[nH]c2ccccc21 ZINC000678294679 488238120 /nfs/dbraw/zinc/23/81/20/488238120.db2.gz PLCXCZKOOJIACE-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO CC1(CNc2cc3cc[nH]c3c[nH+]2)CCOCC1 ZINC000672232889 488246882 /nfs/dbraw/zinc/24/68/82/488246882.db2.gz XIMFLVOZJLARAA-UHFFFAOYSA-N 1 2 245.326 2.792 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC2(C)C)[nH+]1 ZINC000672343978 488253019 /nfs/dbraw/zinc/25/30/19/488253019.db2.gz WPUNQTMOAXVPPC-SNVBAGLBSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H]2C[C@H]21 ZINC000672761065 488265593 /nfs/dbraw/zinc/26/55/93/488265593.db2.gz HUNQPLWBHFNHFS-NWDGAFQWSA-N 1 2 245.326 2.715 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+]1CCC=C(F)C1 ZINC000679320652 488335149 /nfs/dbraw/zinc/33/51/49/488335149.db2.gz DKVIVGGLKCIVTC-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO C[C@H](c1ccncc1)[N@H+]1CCC=C(F)C1 ZINC000679320652 488335151 /nfs/dbraw/zinc/33/51/51/488335151.db2.gz DKVIVGGLKCIVTC-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO CN(Cc1ccsc1)c1cc[nH+]cc1F ZINC000678789017 488283515 /nfs/dbraw/zinc/28/35/15/488283515.db2.gz SBOMXDQOOQNBBD-UHFFFAOYSA-N 1 2 222.288 2.919 20 0 BFADLO Cc1cc(C)c(NC(=O)CCC(F)F)c(C)[nH+]1 ZINC000684627199 488335468 /nfs/dbraw/zinc/33/54/68/488335468.db2.gz HJDHYJVZKJDJOG-UHFFFAOYSA-N 1 2 242.269 2.991 20 0 BFADLO CC[C@@H](C)n1ncc(NCc2cn(C)c[nH+]2)c1C ZINC000673607832 488297707 /nfs/dbraw/zinc/29/77/07/488297707.db2.gz PXHPXDCJEHPJJP-SNVBAGLBSA-N 1 2 247.346 2.508 20 0 BFADLO C[C@H]1CC[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678948778 488297805 /nfs/dbraw/zinc/29/78/05/488297805.db2.gz JSVVBLBGSIQKGP-WDEREUQCSA-N 1 2 243.310 2.709 20 0 BFADLO CCc1cccc(F)c1C[NH2+]Cc1cocn1 ZINC000684379835 488302759 /nfs/dbraw/zinc/30/27/59/488302759.db2.gz NFTDWWDKABWQLR-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc2c(c1)COC2 ZINC000679047687 488304785 /nfs/dbraw/zinc/30/47/85/488304785.db2.gz JLBRZFTXXDJSGB-SNVBAGLBSA-N 1 2 244.294 2.556 20 0 BFADLO CC(C)C[C@@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000679051701 488304875 /nfs/dbraw/zinc/30/48/75/488304875.db2.gz YFANNEYATSWEMB-CQSZACIVSA-N 1 2 245.326 2.947 20 0 BFADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1F ZINC000679191617 488315940 /nfs/dbraw/zinc/31/59/40/488315940.db2.gz IAJDAUQUQNPFAM-UWVGGRQHSA-N 1 2 233.290 2.747 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1F ZINC000679192683 488315980 /nfs/dbraw/zinc/31/59/80/488315980.db2.gz PDFMOZKIDXGWDS-PWSUYJOCSA-N 1 2 245.301 2.814 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679226740 488322364 /nfs/dbraw/zinc/32/23/64/488322364.db2.gz VTUHYUMCSKTVKH-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679226740 488322367 /nfs/dbraw/zinc/32/23/67/488322367.db2.gz VTUHYUMCSKTVKH-GZMMTYOYSA-N 1 2 228.336 2.631 20 0 BFADLO CCCCc1noc([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000679324615 488338404 /nfs/dbraw/zinc/33/84/04/488338404.db2.gz YNVIVFMKWUQNDS-LLVKDONJSA-N 1 2 235.331 2.735 20 0 BFADLO CCCCc1noc([C@@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679324615 488338407 /nfs/dbraw/zinc/33/84/07/488338407.db2.gz YNVIVFMKWUQNDS-LLVKDONJSA-N 1 2 235.331 2.735 20 0 BFADLO CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679362203 488346441 /nfs/dbraw/zinc/34/64/41/488346441.db2.gz XIZGNWYINLCOAQ-KOLCDFICSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679362203 488346445 /nfs/dbraw/zinc/34/64/45/488346445.db2.gz XIZGNWYINLCOAQ-KOLCDFICSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679362205 488346734 /nfs/dbraw/zinc/34/67/34/488346734.db2.gz XIZGNWYINLCOAQ-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1ncc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679362205 488346736 /nfs/dbraw/zinc/34/67/36/488346736.db2.gz XIZGNWYINLCOAQ-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1cc(NCc2ccncc2CC)nc[nH+]1 ZINC000679280694 490094986 /nfs/dbraw/zinc/09/49/86/490094986.db2.gz NGYKSXPXLXWGDR-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO C[C@@H](CO)C[N@H+](CC1CCC1)c1ccccc1 ZINC000121489098 490095481 /nfs/dbraw/zinc/09/54/81/490095481.db2.gz LAKYJHQAHUIJHO-CYBMUJFWSA-N 1 2 233.355 2.922 20 0 BFADLO C[C@@H](CO)C[N@@H+](CC1CCC1)c1ccccc1 ZINC000121489098 490095486 /nfs/dbraw/zinc/09/54/86/490095486.db2.gz LAKYJHQAHUIJHO-CYBMUJFWSA-N 1 2 233.355 2.922 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cscn1 ZINC000590622537 490111122 /nfs/dbraw/zinc/11/11/22/490111122.db2.gz XYDQRLKTTIANQU-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cscn1 ZINC000590622537 490111125 /nfs/dbraw/zinc/11/11/25/490111125.db2.gz XYDQRLKTTIANQU-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121450911 490478871 /nfs/dbraw/zinc/47/88/71/490478871.db2.gz YVDZXGQOPRARHV-MWLCHTKSSA-N 1 2 235.331 2.946 20 0 BFADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121451267 490479356 /nfs/dbraw/zinc/47/93/56/490479356.db2.gz YVDZXGQOPRARHV-KOLCDFICSA-N 1 2 235.331 2.946 20 0 BFADLO Cc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC000074727075 490501190 /nfs/dbraw/zinc/50/11/90/490501190.db2.gz HOQITFFWGJVIMJ-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC000074727075 490501193 /nfs/dbraw/zinc/50/11/93/490501193.db2.gz HOQITFFWGJVIMJ-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CCC(CC)CSc1nc(N)cc(C)[nH+]1 ZINC000129183418 490603594 /nfs/dbraw/zinc/60/35/94/490603594.db2.gz CJXJTSLULYHOFK-UHFFFAOYSA-N 1 2 225.361 2.896 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(C)s2)o1 ZINC000227083972 491054808 /nfs/dbraw/zinc/05/48/08/491054808.db2.gz FYKKUVZJUNSAAI-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CCc1cc(NCCCCOC(C)C)nc[nH+]1 ZINC000228562015 491095685 /nfs/dbraw/zinc/09/56/85/491095685.db2.gz UBCCIYWOTIFGEZ-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1cc(NCC2(C3CC3)CC2)nc[nH+]1 ZINC000228666019 491096643 /nfs/dbraw/zinc/09/66/43/491096643.db2.gz SPMCFTOXIFXOSR-UHFFFAOYSA-N 1 2 217.316 2.641 20 0 BFADLO CN(CC1(C)COC1)c1ccc2ccccc2[nH+]1 ZINC000624527985 491123237 /nfs/dbraw/zinc/12/32/37/491123237.db2.gz ZDMDOBUYPBTBSK-UHFFFAOYSA-N 1 2 242.322 2.708 20 0 BFADLO CC[C@H]1C[C@@H](Nc2ccc[nH+]c2C)CCO1 ZINC000085712321 491123530 /nfs/dbraw/zinc/12/35/30/491123530.db2.gz VQQHBYGQHNANJJ-RYUDHWBXSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccc(C)cn2)n1 ZINC000125228151 491128861 /nfs/dbraw/zinc/12/88/61/491128861.db2.gz KPFDAJGHUNUOKD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccc(C)cn2)n1 ZINC000125228151 491128862 /nfs/dbraw/zinc/12/88/62/491128862.db2.gz KPFDAJGHUNUOKD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCc1cc(NC[C@H]2CCC[C@H]2C)nc[nH+]1 ZINC000230692997 491130652 /nfs/dbraw/zinc/13/06/52/491130652.db2.gz KXJOPJPDHGAUOX-GHMZBOCLSA-N 1 2 219.332 2.887 20 0 BFADLO Cc1occc1CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000080950202 491133548 /nfs/dbraw/zinc/13/35/48/491133548.db2.gz GHZFQJSBIMOYNV-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO Fc1ccc(C[NH2+]Cc2cocn2)c(Cl)c1 ZINC000309602466 491152206 /nfs/dbraw/zinc/15/22/06/491152206.db2.gz WYQHXROXJJFSDS-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO OCC[C@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000309630788 491153245 /nfs/dbraw/zinc/15/32/45/491153245.db2.gz KIPYKBCOYLMRBK-JTQLQIEISA-N 1 2 249.688 2.618 20 0 BFADLO COc1cccc(OC)c1CNc1cccc[nH+]1 ZINC000083372714 491161379 /nfs/dbraw/zinc/16/13/79/491161379.db2.gz HQJNTBJBYLGKHH-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO COC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000742412401 582667999 /nfs/dbraw/zinc/66/79/99/582667999.db2.gz ABDFXPXSUMSWPX-NSHDSACASA-N 1 2 237.347 2.683 20 0 BFADLO CCc1nocc1C[N@@H+](CC)Cc1ccccn1 ZINC000351567002 535904183 /nfs/dbraw/zinc/90/41/83/535904183.db2.gz FSXDEKMARGYONU-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1nocc1C[N@H+](CC)Cc1ccccn1 ZINC000351567002 535904188 /nfs/dbraw/zinc/90/41/88/535904188.db2.gz FSXDEKMARGYONU-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C/C1CC1 ZINC000493151984 534386815 /nfs/dbraw/zinc/38/68/15/534386815.db2.gz KRMPYSLXBJJXDP-AATRIKPKSA-N 1 2 216.284 2.603 20 0 BFADLO Cc1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000486479548 534624872 /nfs/dbraw/zinc/62/48/72/534624872.db2.gz ONYZQSKAKFKQHV-GNXNZQSNSA-N 1 2 243.354 2.874 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccc1Cl ZINC000492859480 534804339 /nfs/dbraw/zinc/80/43/39/534804339.db2.gz NBIWLESMBPUBSN-WAYWQWQTSA-N 1 2 247.685 2.715 20 0 BFADLO CC(=O)c1cccc(C[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000336199157 534888660 /nfs/dbraw/zinc/88/86/60/534888660.db2.gz MWYMRCGRXZLGAS-AWEZNQCLSA-N 1 2 235.302 2.823 20 0 BFADLO CC(=O)c1cccc(C[N@H+]2CC[C@](C)(F)C2)c1 ZINC000336199157 534888661 /nfs/dbraw/zinc/88/86/61/534888661.db2.gz MWYMRCGRXZLGAS-AWEZNQCLSA-N 1 2 235.302 2.823 20 0 BFADLO CN(Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000180412923 536477518 /nfs/dbraw/zinc/47/75/18/536477518.db2.gz TYPPMCRJYXNZOZ-UHFFFAOYSA-N 1 2 237.306 2.971 20 0 BFADLO CC(C)(C)CC(C)(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493196964 527648380 /nfs/dbraw/zinc/64/83/80/527648380.db2.gz XSOIAVLWVIPJOL-VOTSOKGWSA-N 1 2 249.358 2.754 20 0 BFADLO CCC[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000507119431 527851584 /nfs/dbraw/zinc/85/15/84/527851584.db2.gz HGLZSLRHBAXEKA-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO CCC[N@@H+](C)Cc1c(F)ccc(O)c1F ZINC000507119431 527851588 /nfs/dbraw/zinc/85/15/88/527851588.db2.gz HGLZSLRHBAXEKA-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO CCC[C@H](C)N(C)C(=O)/C=C/c1[nH+]ccn1CC ZINC000492494637 528039686 /nfs/dbraw/zinc/03/96/86/528039686.db2.gz RLZSYWFITJQFLJ-BCPZQOPPSA-N 1 2 249.358 2.563 20 0 BFADLO CCCCCN(C(=O)/C=C\c1[nH]cc[nH+]1)C(C)C ZINC000493403432 528155158 /nfs/dbraw/zinc/15/51/58/528155158.db2.gz PYWQGKPPOULYDY-FPLPWBNLSA-N 1 2 249.358 2.850 20 0 BFADLO CCCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492776954 528252387 /nfs/dbraw/zinc/25/23/87/528252387.db2.gz NSYYRZPXHIVBKJ-SKVAFPRGSA-N 1 2 235.331 2.508 20 0 BFADLO CCC(CC)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000513062282 528753279 /nfs/dbraw/zinc/75/32/79/528753279.db2.gz RWNNYOCCHFZREA-UHFFFAOYSA-N 1 2 247.386 2.952 20 0 BFADLO CC1(C)CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492775928 528905557 /nfs/dbraw/zinc/90/55/57/528905557.db2.gz YMNCKLPTPMOZFG-ARJAWSKDSA-N 1 2 247.342 2.508 20 0 BFADLO CCN(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493706364 528908227 /nfs/dbraw/zinc/90/82/27/528908227.db2.gz LXPNKHRGTQJIDX-CMDGGOBGSA-N 1 2 247.342 2.604 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccc(C)cc1C)C(=O)OC ZINC000475089041 529014370 /nfs/dbraw/zinc/01/43/70/529014370.db2.gz NNJKFXPFMUPJKU-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816070 529266672 /nfs/dbraw/zinc/26/66/72/529266672.db2.gz YZPNUESIWQWIQZ-MEJMFZKBSA-N 1 2 247.342 2.604 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857393 529280553 /nfs/dbraw/zinc/28/05/53/529280553.db2.gz KFHWPYANLSZGLC-HOVLTTNMSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493229856 529302752 /nfs/dbraw/zinc/30/27/52/529302752.db2.gz WHJYYOKCSSSJOM-UXFRKABBSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCC(C)(C)O1 ZINC000184675662 535044369 /nfs/dbraw/zinc/04/43/69/535044369.db2.gz BOZOOPOQEAIQOF-SNVBAGLBSA-N 1 2 235.318 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCC(C)(C)O1 ZINC000184675662 535044373 /nfs/dbraw/zinc/04/43/73/535044373.db2.gz BOZOOPOQEAIQOF-SNVBAGLBSA-N 1 2 235.318 2.920 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC3(CCCC3)C2)no1 ZINC000174264163 535522452 /nfs/dbraw/zinc/52/24/52/535522452.db2.gz SUDKSQMSSKXBNG-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCc1nc(C[N@H+]2CCC3(CCCC3)C2)no1 ZINC000174264163 535522455 /nfs/dbraw/zinc/52/24/55/535522455.db2.gz SUDKSQMSSKXBNG-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CC[N@@H+]1CCC[C@@H](N[C@H](C)c2cccc(O)c2)C1 ZINC000249612945 535541587 /nfs/dbraw/zinc/54/15/87/535541587.db2.gz HHUWMKKHGIXMTF-TZMCWYRMSA-N 1 2 248.370 2.527 20 0 BFADLO CC[N@H+]1CCC[C@@H](N[C@H](C)c2cccc(O)c2)C1 ZINC000249612945 535541593 /nfs/dbraw/zinc/54/15/93/535541593.db2.gz HHUWMKKHGIXMTF-TZMCWYRMSA-N 1 2 248.370 2.527 20 0 BFADLO CC[C@@H](COC)[NH2+]CC(F)(F)c1ccccc1 ZINC000227902134 535761408 /nfs/dbraw/zinc/76/14/08/535761408.db2.gz JPBPWUNCOIUIPB-LBPRGKRZSA-N 1 2 243.297 2.793 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000218081910 535798192 /nfs/dbraw/zinc/79/81/92/535798192.db2.gz NBAPXYFXUTXKCB-WDEREUQCSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@H]([NH2+][C@@H](CC)c1cccs1)C(=O)OC ZINC000168330053 535931284 /nfs/dbraw/zinc/93/12/84/535931284.db2.gz GGRQZLAMSPBVCL-UWVGGRQHSA-N 1 2 241.356 2.740 20 0 BFADLO FC1(F)CC[C@@H](C[N@@H+]2CCC(F)(F)C2)C1 ZINC000336270799 566306888 /nfs/dbraw/zinc/30/68/88/566306888.db2.gz DTKLIZNLAHNBCR-MRVPVSSYSA-N 1 2 225.229 2.763 20 0 BFADLO FC1(F)CC[C@@H](C[N@H+]2CCC(F)(F)C2)C1 ZINC000336270799 566306896 /nfs/dbraw/zinc/30/68/96/566306896.db2.gz DTKLIZNLAHNBCR-MRVPVSSYSA-N 1 2 225.229 2.763 20 0 BFADLO Cc1cc2[nH+]cn(CC(F)F)c2cc1C ZINC000166289685 566472446 /nfs/dbraw/zinc/47/24/46/566472446.db2.gz VCDJIIRCAYZDEU-UHFFFAOYSA-N 1 2 210.227 2.918 20 0 BFADLO CC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000893870966 583236437 /nfs/dbraw/zinc/23/64/37/583236437.db2.gz IPAYUZNYPFFBDD-GFCCVEGCSA-N 1 2 221.348 2.791 20 0 BFADLO CC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000893870966 583236438 /nfs/dbraw/zinc/23/64/38/583236438.db2.gz IPAYUZNYPFFBDD-GFCCVEGCSA-N 1 2 221.348 2.791 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)Cc2ccsc2)c1C ZINC000893910667 583245486 /nfs/dbraw/zinc/24/54/86/583245486.db2.gz HVEFBEFPQBCBBU-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)Cc2ccsc2)c1C ZINC000893910667 583245490 /nfs/dbraw/zinc/24/54/90/583245490.db2.gz HVEFBEFPQBCBBU-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1[nH]nc(C[NH+]2CCC(C)(C)CC2)c1C ZINC000893996304 583267789 /nfs/dbraw/zinc/26/77/89/583267789.db2.gz YWBWAYDSOPRSSU-UHFFFAOYSA-N 1 2 221.348 2.649 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1C ZINC000893988051 583269769 /nfs/dbraw/zinc/26/97/69/583269769.db2.gz YBCLDGLONMZAQU-CABZTGNLSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1C ZINC000893988051 583269772 /nfs/dbraw/zinc/26/97/72/583269772.db2.gz YBCLDGLONMZAQU-CABZTGNLSA-N 1 2 221.348 2.647 20 0 BFADLO CCc1nn(C[N@H+](C)CC(C)C)c(=S)s1 ZINC000853492098 588746088 /nfs/dbraw/zinc/74/60/88/588746088.db2.gz GHUVJYPJNSWEMO-UHFFFAOYSA-N 1 2 245.417 2.782 20 0 BFADLO CCc1nn(C[N@@H+](C)CC(C)C)c(=S)s1 ZINC000853492098 588746089 /nfs/dbraw/zinc/74/60/89/588746089.db2.gz GHUVJYPJNSWEMO-UHFFFAOYSA-N 1 2 245.417 2.782 20 0 BFADLO CCc1nn(C[NH+]2CCCCC2)c(=S)s1 ZINC000853487154 588745698 /nfs/dbraw/zinc/74/56/98/588745698.db2.gz IJYKWLJNWSANSF-UHFFFAOYSA-N 1 2 243.401 2.680 20 0 BFADLO CC(C)[C@@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000853645511 588751807 /nfs/dbraw/zinc/75/18/07/588751807.db2.gz FVPVOZYEYXEFRX-LLVKDONJSA-N 1 2 236.315 2.608 20 0 BFADLO Cc1nc(CC(N)=[NH+]O[C@H](C)C(C)C)cs1 ZINC000853656600 588752703 /nfs/dbraw/zinc/75/27/03/588752703.db2.gz UBCZOZVJUHNSBG-MRVPVSSYSA-N 1 2 241.360 2.537 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCCC[C@@H]1C ZINC000853658817 588753014 /nfs/dbraw/zinc/75/30/14/588753014.db2.gz QJYRQRUSFKUTGJ-RYUDHWBXSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@H](C)C(C)C ZINC000853674789 588754997 /nfs/dbraw/zinc/75/49/97/588754997.db2.gz IONJVBQAPFWJFU-MNOVXSKESA-N 1 2 230.352 2.590 20 0 BFADLO CCCC(=CC(=O)N(C)Cc1c[nH+]c[nH]1)CCC ZINC000855136832 588823335 /nfs/dbraw/zinc/82/33/35/588823335.db2.gz UUGNANIIWCREDQ-UHFFFAOYSA-N 1 2 249.358 2.895 20 0 BFADLO CCCC(=CC(=O)N(C)Cc1c[nH]c[nH+]1)CCC ZINC000855136832 588823336 /nfs/dbraw/zinc/82/33/36/588823336.db2.gz UUGNANIIWCREDQ-UHFFFAOYSA-N 1 2 249.358 2.895 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)c(C)c1 ZINC000806159135 582479468 /nfs/dbraw/zinc/47/94/68/582479468.db2.gz YMXNCIBZPZKABW-OCCSQVGLSA-N 1 2 249.354 2.967 20 0 BFADLO C[C@@H](CC(=O)OCCCCCF)n1cc[nH+]c1 ZINC000845284988 582611103 /nfs/dbraw/zinc/61/11/03/582611103.db2.gz PNADBMNMCFLPSW-NSHDSACASA-N 1 2 242.294 2.517 20 0 BFADLO COc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)o1 ZINC000891468327 582691216 /nfs/dbraw/zinc/69/12/16/582691216.db2.gz VESCCJIQTFOBCE-LLVKDONJSA-N 1 2 246.310 2.667 20 0 BFADLO COc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)o1 ZINC000891468327 582691217 /nfs/dbraw/zinc/69/12/17/582691217.db2.gz VESCCJIQTFOBCE-LLVKDONJSA-N 1 2 246.310 2.667 20 0 BFADLO CCC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891668723 582707633 /nfs/dbraw/zinc/70/76/33/582707633.db2.gz SMLJDDIJKKHVEJ-UWVGGRQHSA-N 1 2 208.305 2.735 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)Cc2ccco2)[nH+]1 ZINC000891762734 582717707 /nfs/dbraw/zinc/71/77/07/582717707.db2.gz SSBVEDXSSRGYDJ-GHMZBOCLSA-N 1 2 246.310 2.771 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cnn(C2CCC2)c1 ZINC000891780295 582720241 /nfs/dbraw/zinc/72/02/41/582720241.db2.gz WXWNJNDZFVRTKM-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cnn(C2CCC2)c1 ZINC000891780295 582720242 /nfs/dbraw/zinc/72/02/42/582720242.db2.gz WXWNJNDZFVRTKM-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO CCc1cc(NCc2nccs2)nc(CC)[nH+]1 ZINC000891863002 582731399 /nfs/dbraw/zinc/73/13/99/582731399.db2.gz ZHVGHQKLEPACJL-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO CCOCCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891883391 582734827 /nfs/dbraw/zinc/73/48/27/582734827.db2.gz BEBOGCYYPMZKLJ-UHFFFAOYSA-N 1 2 243.310 2.592 20 0 BFADLO CCN(CCOC)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000891982420 582751987 /nfs/dbraw/zinc/75/19/87/582751987.db2.gz VZMKVUDQYIOUHA-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO CCc1cc(NCc2cc(C)no2)nc(CC)[nH+]1 ZINC000892019823 582762770 /nfs/dbraw/zinc/76/27/70/582762770.db2.gz XDFHMEYHWOUYPR-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCc1cc(NCc2cscn2)nc(CC)[nH+]1 ZINC000892151362 582802046 /nfs/dbraw/zinc/80/20/46/582802046.db2.gz RDQVBPFIFLQVAE-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288321 588867494 /nfs/dbraw/zinc/86/74/94/588867494.db2.gz QWJUSDCRUKHBTR-BJMVGYQFSA-N 1 2 243.310 2.938 20 0 BFADLO C[C@H](CC(=O)N(C)c1ccsc1)n1cc[nH+]c1 ZINC000892556985 582913121 /nfs/dbraw/zinc/91/31/21/582913121.db2.gz KWKHRPRLJBDCRQ-SNVBAGLBSA-N 1 2 249.339 2.559 20 0 BFADLO CSCC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892606330 582928066 /nfs/dbraw/zinc/92/80/66/582928066.db2.gz ZZPOVCQKDIBZJU-UWVGGRQHSA-N 1 2 240.372 2.688 20 0 BFADLO CC[C@@H](CCO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892648116 582938741 /nfs/dbraw/zinc/93/87/41/582938741.db2.gz BYASCSRGRCBBEQ-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO C/C=C(/C=C/C(=O)N[C@H](C)c1[nH+]ccn1C)CC ZINC000856276822 588866536 /nfs/dbraw/zinc/86/65/36/588866536.db2.gz DHXLWDSHWAZWHF-QBWFSYIASA-N 1 2 247.342 2.510 20 0 BFADLO c1csc(N2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000892826302 582988850 /nfs/dbraw/zinc/98/88/50/582988850.db2.gz GFUQJHHQWQDBQD-VIFPVBQESA-N 1 2 234.328 2.598 20 0 BFADLO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000397935426 583113349 /nfs/dbraw/zinc/11/33/49/583113349.db2.gz RNJLKAXSOCVIKL-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000398196994 583123711 /nfs/dbraw/zinc/12/37/11/583123711.db2.gz LTAVQJNDBDJEQE-KWQFWETISA-N 1 2 243.301 2.567 20 0 BFADLO C[C@]1(Br)C[C@H]1C[N@@H+]1CCC=C(F)C1 ZINC000893435387 583142554 /nfs/dbraw/zinc/14/25/54/583142554.db2.gz BJIRALOTOYFQQT-WPRPVWTQSA-N 1 2 248.139 2.719 20 0 BFADLO C[C@]1(Br)C[C@H]1C[N@H+]1CCC=C(F)C1 ZINC000893435387 583142555 /nfs/dbraw/zinc/14/25/55/583142555.db2.gz BJIRALOTOYFQQT-WPRPVWTQSA-N 1 2 248.139 2.719 20 0 BFADLO FC1=CCC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000893437574 583143557 /nfs/dbraw/zinc/14/35/57/583143557.db2.gz SYEIOKXDWGAVRA-UHFFFAOYSA-N 1 2 233.286 2.681 20 0 BFADLO FC1=CCC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000893437574 583143558 /nfs/dbraw/zinc/14/35/58/583143558.db2.gz SYEIOKXDWGAVRA-UHFFFAOYSA-N 1 2 233.286 2.681 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)c1cccs1 ZINC000893518316 583156066 /nfs/dbraw/zinc/15/60/66/583156066.db2.gz WJBKTGWUSAZDNR-VIFPVBQESA-N 1 2 248.307 2.555 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1ccncc1 ZINC000893542264 583158890 /nfs/dbraw/zinc/15/88/90/583158890.db2.gz YVKLUGZLBMFDIC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccncc1 ZINC000893542264 583158892 /nfs/dbraw/zinc/15/88/92/583158892.db2.gz YVKLUGZLBMFDIC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@@H](O)c1cccc(NCCC2(C)CC2)[nH+]1 ZINC000893587443 583167817 /nfs/dbraw/zinc/16/78/17/583167817.db2.gz BFWVJTPMRWLLCM-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO CCc1cc(N2CCC[C@H](F)C2)nc(CC)[nH+]1 ZINC000893676859 583195345 /nfs/dbraw/zinc/19/53/45/583195345.db2.gz PBYGMEPTJLAWKZ-JTQLQIEISA-N 1 2 237.322 2.540 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000893676250 583195433 /nfs/dbraw/zinc/19/54/33/583195433.db2.gz RCJOEIXBQPYTQK-WOPDTQHZSA-N 1 2 234.343 2.983 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CCC2(C)C)[nH+]1 ZINC000893858568 583233595 /nfs/dbraw/zinc/23/35/95/583233595.db2.gz FHYIJGXJHLKFBG-MWLCHTKSSA-N 1 2 220.316 2.735 20 0 BFADLO Cc1cc(N[C@@H]2CCCOC2)nc(C2CCC2)[nH+]1 ZINC000893888688 583243935 /nfs/dbraw/zinc/24/39/35/583243935.db2.gz MRTNCZCDTIMPID-GFCCVEGCSA-N 1 2 247.342 2.643 20 0 BFADLO CNc1cc(N2CCC(C)(C3CC3)CC2)nc[nH+]1 ZINC000893914213 583245970 /nfs/dbraw/zinc/24/59/70/583245970.db2.gz UXEFXSBNDVTKHW-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CCC(C)(C3CC3)CC2)[nH+]cn1 ZINC000893914213 583245972 /nfs/dbraw/zinc/24/59/72/583245972.db2.gz UXEFXSBNDVTKHW-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000893962594 583256993 /nfs/dbraw/zinc/25/69/93/583256993.db2.gz OKBJAHMEQOHCKF-UHFFFAOYSA-N 1 2 241.356 2.612 20 0 BFADLO CSc1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000893962594 583256996 /nfs/dbraw/zinc/25/69/96/583256996.db2.gz OKBJAHMEQOHCKF-UHFFFAOYSA-N 1 2 241.356 2.612 20 0 BFADLO CC1=CC[N@H+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894034041 583278391 /nfs/dbraw/zinc/27/83/91/583278391.db2.gz PKQNYOFGRGZEFX-UHFFFAOYSA-N 1 2 219.332 2.685 20 0 BFADLO CC1=CC[N@@H+](Cc2nc(C(C)C)c[nH]2)CC1 ZINC000894034041 583278392 /nfs/dbraw/zinc/27/83/92/583278392.db2.gz PKQNYOFGRGZEFX-UHFFFAOYSA-N 1 2 219.332 2.685 20 0 BFADLO CC(C)C1C[NH+](Cc2nnc(C3CC3)s2)C1 ZINC000894134538 583313495 /nfs/dbraw/zinc/31/34/95/583313495.db2.gz MYOJETAHXFJQGY-UHFFFAOYSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894158009 583320584 /nfs/dbraw/zinc/32/05/84/583320584.db2.gz AMSFPERXELVLNB-DMDPSCGWSA-N 1 2 234.343 2.981 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC[C@H]2F)[nH+]1 ZINC000894201413 583338236 /nfs/dbraw/zinc/33/82/36/583338236.db2.gz MOZQLOGBPHZMPA-CKYFFXLPSA-N 1 2 238.306 2.828 20 0 BFADLO C[C@@H](O)c1cccc(N2CC(C)(C)C[C@H]2C)[nH+]1 ZINC000894206089 583347772 /nfs/dbraw/zinc/34/77/72/583347772.db2.gz SMSZPBJMXXRNPL-GHMZBOCLSA-N 1 2 234.343 2.760 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878321681 583369723 /nfs/dbraw/zinc/36/97/23/583369723.db2.gz SIHRGGDDQJSIAQ-FIQHERPVSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878321681 583369725 /nfs/dbraw/zinc/36/97/25/583369725.db2.gz SIHRGGDDQJSIAQ-FIQHERPVSA-N 1 2 245.313 2.674 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000879504861 583434676 /nfs/dbraw/zinc/43/46/76/583434676.db2.gz PPDJVUKSRZYKIX-MNOVXSKESA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000879504861 583434677 /nfs/dbraw/zinc/43/46/77/583434677.db2.gz PPDJVUKSRZYKIX-MNOVXSKESA-N 1 2 249.276 2.748 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000879504863 583435156 /nfs/dbraw/zinc/43/51/56/583435156.db2.gz PPDJVUKSRZYKIX-WDEREUQCSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000879504863 583435158 /nfs/dbraw/zinc/43/51/58/583435158.db2.gz PPDJVUKSRZYKIX-WDEREUQCSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1CCC[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000791943217 583453144 /nfs/dbraw/zinc/45/31/44/583453144.db2.gz FKGCSWMYTNTZSK-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1ncoc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000894422248 583457762 /nfs/dbraw/zinc/45/77/62/583457762.db2.gz IPORDHRGGRIYTR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncoc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000894422248 583457763 /nfs/dbraw/zinc/45/77/63/583457763.db2.gz IPORDHRGGRIYTR-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)c2ccccn2)c1C ZINC000894422607 583458196 /nfs/dbraw/zinc/45/81/96/583458196.db2.gz JZEZJOOWUPMVPY-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@@H](C)c2ccccn2)c1C ZINC000894422607 583458198 /nfs/dbraw/zinc/45/81/98/583458198.db2.gz JZEZJOOWUPMVPY-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ncoc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000894437528 583460217 /nfs/dbraw/zinc/46/02/17/583460217.db2.gz KHUUWIOATFEAKD-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2ccccn2)[nH+]1 ZINC000894450252 583462191 /nfs/dbraw/zinc/46/21/91/583462191.db2.gz HCTFQICPHXXGCT-UHFFFAOYSA-N 1 2 244.342 2.560 20 0 BFADLO CSc1ccc(N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000894461571 583466663 /nfs/dbraw/zinc/46/66/63/583466663.db2.gz HXJKLDPNVKJRQX-UHFFFAOYSA-N 1 2 233.340 2.768 20 0 BFADLO CSc1ccc(N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000894461571 583466665 /nfs/dbraw/zinc/46/66/65/583466665.db2.gz HXJKLDPNVKJRQX-UHFFFAOYSA-N 1 2 233.340 2.768 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC000894472114 583468952 /nfs/dbraw/zinc/46/89/52/583468952.db2.gz WMXZSQRTDAWZGZ-NSHDSACASA-N 1 2 243.310 2.506 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)C[C@H](C)O2 ZINC000894472114 583468954 /nfs/dbraw/zinc/46/89/54/583468954.db2.gz WMXZSQRTDAWZGZ-NSHDSACASA-N 1 2 243.310 2.506 20 0 BFADLO CCc1cc(N[C@@H]2COC(C)(C)C2)nc(CC)[nH+]1 ZINC000894480476 583470194 /nfs/dbraw/zinc/47/01/94/583470194.db2.gz IFBLHDRHSCSTIS-NSHDSACASA-N 1 2 249.358 2.581 20 0 BFADLO CC(C)c1nnc(C[NH+]2CC(C3CC3)C2)s1 ZINC000894565445 583484592 /nfs/dbraw/zinc/48/45/92/583484592.db2.gz IYHGUCIUOFBGNC-UHFFFAOYSA-N 1 2 237.372 2.503 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000894659659 583504188 /nfs/dbraw/zinc/50/41/88/583504188.db2.gz YVTSIPOSXHKVJU-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000894659659 583504189 /nfs/dbraw/zinc/50/41/89/583504189.db2.gz YVTSIPOSXHKVJU-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)[C@@H]1C ZINC000894860483 583534469 /nfs/dbraw/zinc/53/44/69/583534469.db2.gz NUOUDUQWZWYBPV-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)[C@@H]1C ZINC000894860483 583534470 /nfs/dbraw/zinc/53/44/70/583534470.db2.gz NUOUDUQWZWYBPV-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO Cc1cnc(OC(C)C)c(NCc2c[nH+]c[nH]2)c1 ZINC000894869663 583539176 /nfs/dbraw/zinc/53/91/76/583539176.db2.gz BTHUHPAAOFTAOK-UHFFFAOYSA-N 1 2 246.314 2.512 20 0 BFADLO Cc1cnc(OC(C)C)c(NCc2c[nH]c[nH+]2)c1 ZINC000894869663 583539177 /nfs/dbraw/zinc/53/91/77/583539177.db2.gz BTHUHPAAOFTAOK-UHFFFAOYSA-N 1 2 246.314 2.512 20 0 BFADLO CCn1c[nH+]cc1CN(C)c1ccc(C)cc1 ZINC000841867545 583548447 /nfs/dbraw/zinc/54/84/47/583548447.db2.gz MSKPPLPCPJLJLQ-UHFFFAOYSA-N 1 2 229.327 2.848 20 0 BFADLO CCOc1ccc(NCc2c[nH+]c[nH]2)c(F)c1 ZINC000895013516 583567964 /nfs/dbraw/zinc/56/79/64/583567964.db2.gz BQZLDPZYALTQMD-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO CCOc1ccc(NCc2c[nH]c[nH+]2)c(F)c1 ZINC000895013516 583567966 /nfs/dbraw/zinc/56/79/66/583567966.db2.gz BQZLDPZYALTQMD-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO Cc1[nH+]cnc(NC2CCCCC2)c1C ZINC000881734249 583583719 /nfs/dbraw/zinc/58/37/19/583583719.db2.gz IHRVZUISBOEQMV-UHFFFAOYSA-N 1 2 205.305 2.838 20 0 BFADLO Fc1c(Cl)cccc1C[N@@H+]1CCCOCC1 ZINC000334484362 583584248 /nfs/dbraw/zinc/58/42/48/583584248.db2.gz ZUYLOQAGSXTTOH-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1c(Cl)cccc1C[N@H+]1CCCOCC1 ZINC000334484362 583584249 /nfs/dbraw/zinc/58/42/49/583584249.db2.gz ZUYLOQAGSXTTOH-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO C=C/C=C/CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000895132054 583600918 /nfs/dbraw/zinc/60/09/18/583600918.db2.gz NICXSBNEDADYII-SGUJLRQBSA-N 1 2 218.300 2.679 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)c1cnccn1 ZINC000895141781 583603283 /nfs/dbraw/zinc/60/32/83/583603283.db2.gz FWICNKONHFMFOJ-SNVBAGLBSA-N 1 2 228.299 2.607 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@@H+]1Cc2ccncc2C1 ZINC000857872581 588917575 /nfs/dbraw/zinc/91/75/75/588917575.db2.gz DHLJSQVFUAZDPK-JTQLQIEISA-N 1 2 243.137 2.591 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@H+]1Cc2ccncc2C1 ZINC000857872581 588917576 /nfs/dbraw/zinc/91/75/76/588917576.db2.gz DHLJSQVFUAZDPK-JTQLQIEISA-N 1 2 243.137 2.591 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ocnc1C)C2 ZINC000895404736 583666834 /nfs/dbraw/zinc/66/68/34/583666834.db2.gz GPNHSOXROVQIAF-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ocnc1C)C2 ZINC000895404736 583666835 /nfs/dbraw/zinc/66/68/35/583666835.db2.gz GPNHSOXROVQIAF-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO Cc1cc[nH+]cc1CCCN1CC[C@H]1C(F)F ZINC000895430022 583669594 /nfs/dbraw/zinc/66/95/94/583669594.db2.gz AHHYEDIKLVIXKZ-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO CC(C)C1(C[N@@H+]2CC[C@H]2C(F)F)CC1 ZINC000895430061 583669823 /nfs/dbraw/zinc/66/98/23/583669823.db2.gz BSFJWQJJPNATQQ-VIFPVBQESA-N 1 2 203.276 2.762 20 0 BFADLO CC(C)C1(C[N@H+]2CC[C@H]2C(F)F)CC1 ZINC000895430061 583669824 /nfs/dbraw/zinc/66/98/24/583669824.db2.gz BSFJWQJJPNATQQ-VIFPVBQESA-N 1 2 203.276 2.762 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1CC1Cc2ccccc2C1 ZINC000895431294 583670248 /nfs/dbraw/zinc/67/02/48/583670248.db2.gz LELXNFZURWKTAR-CYBMUJFWSA-N 1 2 237.293 2.741 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1CC1Cc2ccccc2C1 ZINC000895431294 583670251 /nfs/dbraw/zinc/67/02/51/583670251.db2.gz LELXNFZURWKTAR-CYBMUJFWSA-N 1 2 237.293 2.741 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]1 ZINC000895536184 583686806 /nfs/dbraw/zinc/68/68/06/583686806.db2.gz BAIBAXMFAUTJFA-OOTJXSFTSA-N 1 2 232.327 2.591 20 0 BFADLO FC[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000895573716 583692729 /nfs/dbraw/zinc/69/27/29/583692729.db2.gz SBFZVAYNLKTXKN-ZETCQYMHSA-N 1 2 234.727 2.588 20 0 BFADLO FC[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000895573716 583692730 /nfs/dbraw/zinc/69/27/30/583692730.db2.gz SBFZVAYNLKTXKN-ZETCQYMHSA-N 1 2 234.727 2.588 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cnc(F)cc1C ZINC000895596223 583695268 /nfs/dbraw/zinc/69/52/68/583695268.db2.gz AFPNQCDVNUNGFY-UHFFFAOYSA-N 1 2 232.249 2.664 20 0 BFADLO C[C@@H]1C[C@H](C)CCN(c2nccn3c[nH+]cc23)C1 ZINC000895628386 583698395 /nfs/dbraw/zinc/69/83/95/583698395.db2.gz SOEGFSHOPRQKLA-VXGBXAGGSA-N 1 2 244.342 2.602 20 0 BFADLO Cc1cc(N[C@H]2CSC[C@@H]2C)c[nH+]c1C ZINC000895645077 583700701 /nfs/dbraw/zinc/70/07/01/583700701.db2.gz LYEFFIUZEHXFAF-CABZTGNLSA-N 1 2 222.357 2.862 20 0 BFADLO Cc1nc(N[C@H](c2ccccn2)C2CC2)cc[nH+]1 ZINC000895792181 583728737 /nfs/dbraw/zinc/72/87/37/583728737.db2.gz AZQGQJVNNYSXDP-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO Fc1c[nH+]ccc1N[C@H](c1ccccn1)C1CC1 ZINC000895795327 583730586 /nfs/dbraw/zinc/73/05/86/583730586.db2.gz CZYDSFUXLNBAKA-AWEZNQCLSA-N 1 2 243.285 2.601 20 0 BFADLO CCC[C@](C)(CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980399 588927353 /nfs/dbraw/zinc/92/73/53/588927353.db2.gz XTIINGAKVWPRPN-RISCZKNCSA-N 1 2 249.358 2.661 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@H](C)CCO ZINC000896031925 583764420 /nfs/dbraw/zinc/76/44/20/583764420.db2.gz ZMKBYWGDTDXNGC-SNVBAGLBSA-N 1 2 240.372 2.518 20 0 BFADLO CC1CCC(c2noc(C3([NH+](C)C)CC3)n2)CC1 ZINC000896048706 583766088 /nfs/dbraw/zinc/76/60/88/583766088.db2.gz JLWNYFLKFBSFQL-UHFFFAOYSA-N 1 2 249.358 2.914 20 0 BFADLO Cc1cc(NC[C@H]2CCCC3(CCC3)O2)nc[nH+]1 ZINC000896167953 583778317 /nfs/dbraw/zinc/77/83/17/583778317.db2.gz MICAGHWNIIEXBS-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO CC(C)c1nc(NC[C@@]2(C)CCCCO2)cc[nH+]1 ZINC000896184837 583780089 /nfs/dbraw/zinc/78/00/89/583780089.db2.gz PSAQDQFNMDWYQM-CQSZACIVSA-N 1 2 249.358 2.971 20 0 BFADLO CCC[C@H](O)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000896186814 583780769 /nfs/dbraw/zinc/78/07/69/583780769.db2.gz LWBTYYDQMTXSSF-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO C[NH+](C)C1(c2nc(CC3(C)CCCC3)no2)CC1 ZINC000896302696 583789605 /nfs/dbraw/zinc/78/96/05/583789605.db2.gz QDZBGPZQWLEPSD-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO Cc1c[nH+]c2c(c1)N(C(=O)CCC(C)C)CCN2 ZINC000857995216 588929984 /nfs/dbraw/zinc/92/99/84/588929984.db2.gz XJQLPZOBSKMENE-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@]23C[C@H]2CCC3)[nH+]1 ZINC000896546372 583809586 /nfs/dbraw/zinc/80/95/86/583809586.db2.gz YNAQXUADHYZEQS-GYSYKLTISA-N 1 2 232.327 2.737 20 0 BFADLO CCc1nnc(C[NH2+]C(C)(C)/C=C\Cl)s1 ZINC000896752859 583830679 /nfs/dbraw/zinc/83/06/79/583830679.db2.gz WBXYQFKYCNCNNZ-WAYWQWQTSA-N 1 2 245.779 2.721 20 0 BFADLO Cc1cc(NCC[C@H]2CCC(C)(C)CO2)nc[nH+]1 ZINC000896792958 583834578 /nfs/dbraw/zinc/83/45/78/583834578.db2.gz CAFQTNYVVOHGMX-GFCCVEGCSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(N[C@@H]2CCOC23CCCCC3)nc[nH+]1 ZINC000896986379 583867856 /nfs/dbraw/zinc/86/78/56/583867856.db2.gz GQZNDXOQSIEMRX-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCC[C@H]3CCO3)ccc2O1 ZINC000897114819 583881807 /nfs/dbraw/zinc/88/18/07/583881807.db2.gz WJGCZQYNOQDZLW-RISCZKNCSA-N 1 2 247.338 2.991 20 0 BFADLO Cc1nc(N(Cc2ccoc2)C2CC2)cc[nH+]1 ZINC000897113970 583881843 /nfs/dbraw/zinc/88/18/43/583881843.db2.gz IVSQQLRGBAPMPC-UHFFFAOYSA-N 1 2 229.283 2.547 20 0 BFADLO Cc1cc[nH+]c(NC2CC(CCO)C2)c1Cl ZINC000897233771 583898870 /nfs/dbraw/zinc/89/88/70/583898870.db2.gz DWLYNWQFRVJMMO-UHFFFAOYSA-N 1 2 240.734 2.616 20 0 BFADLO Cc1cc(NC[C@H]2CCCC(C)(C)O2)nc[nH+]1 ZINC000897253907 583903827 /nfs/dbraw/zinc/90/38/27/583903827.db2.gz IKAJPHYBPINGQG-LLVKDONJSA-N 1 2 235.331 2.545 20 0 BFADLO CC1(C)CCC[C@H](CNc2cccc[nH+]2)O1 ZINC000897254809 583904509 /nfs/dbraw/zinc/90/45/09/583904509.db2.gz AFFWTVIZLDHBKL-LLVKDONJSA-N 1 2 220.316 2.841 20 0 BFADLO c1csc(C[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000897289448 583911039 /nfs/dbraw/zinc/91/10/39/583911039.db2.gz XKDGHVDICWLZAN-NSHDSACASA-N 1 2 245.351 2.607 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccc(C(C)(C)C)o2)n1 ZINC000865814388 584031646 /nfs/dbraw/zinc/03/16/46/584031646.db2.gz FDTLJFOXPZUQSG-UHFFFAOYSA-N 1 2 247.342 2.898 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1cocn1 ZINC000897624280 584032918 /nfs/dbraw/zinc/03/29/18/584032918.db2.gz GWYLZXJNNZITMY-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1cocn1 ZINC000897624280 584032920 /nfs/dbraw/zinc/03/29/20/584032920.db2.gz GWYLZXJNNZITMY-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC(=O)OC[C@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897706769 584041838 /nfs/dbraw/zinc/04/18/38/584041838.db2.gz UAPPVMKWISFDOU-JTQLQIEISA-N 1 2 236.315 2.569 20 0 BFADLO CC(C)c1c[nH+]cc(NCc2cc[nH]c(=O)c2)c1 ZINC000897705327 584042708 /nfs/dbraw/zinc/04/27/08/584042708.db2.gz CDRCZFPZERUCKK-UHFFFAOYSA-N 1 2 243.310 2.918 20 0 BFADLO CC(C)(F)C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866408965 584118637 /nfs/dbraw/zinc/11/86/37/584118637.db2.gz GIOTWWHEHLFHDL-ZYHUDNBSSA-N 1 2 241.281 2.796 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C)n2)cc(Cl)n1 ZINC000858594479 588970101 /nfs/dbraw/zinc/97/01/01/588970101.db2.gz QMEGVHGKWMJCSK-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccns1 ZINC000858829797 588977487 /nfs/dbraw/zinc/97/74/87/588977487.db2.gz LRRXKRNIXFVQSC-QMMMGPOBSA-N 1 2 246.339 2.984 20 0 BFADLO C[C@@H]1CCC[C@H](OC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000901235419 584404806 /nfs/dbraw/zinc/40/48/06/584404806.db2.gz VWFYSGWCCXECAJ-YXZYKRAASA-N 1 2 248.326 2.555 20 0 BFADLO CCn1c[nH+]cc1/C=C/c1nc(Cl)ncc1C ZINC000901501366 584454904 /nfs/dbraw/zinc/45/49/04/584454904.db2.gz FUWCTSQZQNAMJY-SNAWJCMRSA-N 1 2 248.717 2.825 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@]23CCOC3)c(C)c1 ZINC000901982258 584512098 /nfs/dbraw/zinc/51/20/98/584512098.db2.gz PPYDLTHSBFFBOK-WFASDCNBSA-N 1 2 247.338 2.842 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(C)c(F)c2)c1 ZINC000902080079 584520690 /nfs/dbraw/zinc/52/06/90/584520690.db2.gz WZCAHBSBXCEDHG-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CSc1cncc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000902119777 584528543 /nfs/dbraw/zinc/52/85/43/584528543.db2.gz CDMRDBWCQJMFRP-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO Cc1[nH]c(CNc2cccnc2C2CC2)[nH+]c1C ZINC000902292231 584548822 /nfs/dbraw/zinc/54/88/22/584548822.db2.gz XRKBYWJFUBAJGO-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO COc1cc[nH+]cc1CSCCOC1CC1 ZINC000902390683 584581491 /nfs/dbraw/zinc/58/14/91/584581491.db2.gz LCUGESAYCALDBP-UHFFFAOYSA-N 1 2 239.340 2.502 20 0 BFADLO c1c[nH+]c(COC[C@H]2CC3CCC2CC3)[nH]1 ZINC000902395884 584585234 /nfs/dbraw/zinc/58/52/34/584585234.db2.gz FKRIOUGFQDDQAH-HTAVTVPLSA-N 1 2 220.316 2.753 20 0 BFADLO CNc1ccc(C)cc1C[NH2+]CC(C)(F)F ZINC000902574582 584637167 /nfs/dbraw/zinc/63/71/67/584637167.db2.gz GHFQCRBDZFHDGP-UHFFFAOYSA-N 1 2 228.286 2.782 20 0 BFADLO CO[C@@H](C)COc1ccc2c[nH+]ccc2c1 ZINC000902639146 584649298 /nfs/dbraw/zinc/64/92/98/584649298.db2.gz UJNHDLBIUPSKRY-JTQLQIEISA-N 1 2 217.268 2.649 20 0 BFADLO Cn1c[nH+]c2cc(OCCOC3CCC3)ccc21 ZINC000902781448 584670144 /nfs/dbraw/zinc/67/01/44/584670144.db2.gz UKTXWKMCYWCWTA-UHFFFAOYSA-N 1 2 246.310 2.521 20 0 BFADLO Cn1c[nH+]c2cc(OCCCCF)ccc21 ZINC000902781033 584670318 /nfs/dbraw/zinc/67/03/18/584670318.db2.gz CFLAASQSZYFIMK-UHFFFAOYSA-N 1 2 222.263 2.702 20 0 BFADLO COc1ccc2[nH+]ccc(OC[C@@H](C)OC)c2c1 ZINC000902900423 584693275 /nfs/dbraw/zinc/69/32/75/584693275.db2.gz HCQVLVDNJLALBH-SNVBAGLBSA-N 1 2 247.294 2.657 20 0 BFADLO Cc1nsc(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000902991817 584710099 /nfs/dbraw/zinc/71/00/99/584710099.db2.gz BWAFFAAAJGHYCR-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nsc(C)c1C[N@H+]1CCC[C@@H](F)C1 ZINC000902991817 584710100 /nfs/dbraw/zinc/71/01/00/584710100.db2.gz BWAFFAAAJGHYCR-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ncco1)c1cncs1 ZINC000903312172 584748046 /nfs/dbraw/zinc/74/80/46/584748046.db2.gz UAZXTVCCVPRRFD-HTQZYQBOSA-N 1 2 223.301 2.543 20 0 BFADLO C[C@]1(C(=O)Nc2cccc3[nH+]ccn32)C=CCC1 ZINC000903620045 584787147 /nfs/dbraw/zinc/78/71/47/584787147.db2.gz AJRDSDQBACMNCT-AWEZNQCLSA-N 1 2 241.294 2.629 20 0 BFADLO CC[NH2+]Cc1noc(C2(C3CCCCC3)CC2)n1 ZINC000904075971 584839601 /nfs/dbraw/zinc/83/96/01/584839601.db2.gz UHDSKGWJMJNBGS-UHFFFAOYSA-N 1 2 249.358 2.791 20 0 BFADLO CCCCOC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000731913692 584931331 /nfs/dbraw/zinc/93/13/31/584931331.db2.gz CBHZCHHTSJICFN-UHFFFAOYSA-N 1 2 246.310 2.529 20 0 BFADLO CCC/C=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733966522 584955891 /nfs/dbraw/zinc/95/58/91/584955891.db2.gz BSTBVBQWIFNERO-PLNGDYQASA-N 1 2 229.283 2.629 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000735956434 584984578 /nfs/dbraw/zinc/98/45/78/584984578.db2.gz QOKUJSLLTXANOV-CYBMUJFWSA-N 1 2 249.354 2.850 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735956434 584984579 /nfs/dbraw/zinc/98/45/79/584984579.db2.gz QOKUJSLLTXANOV-CYBMUJFWSA-N 1 2 249.354 2.850 20 0 BFADLO Cc1cccn2cc(C[NH2+]Cc3ccoc3)nc12 ZINC000736642378 585008683 /nfs/dbraw/zinc/00/86/83/585008683.db2.gz VMRLKEFUDBAZES-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO COc1c(C)c[nH+]c(COC(=O)C=C(C)C)c1C ZINC000736735211 585011222 /nfs/dbraw/zinc/01/12/22/585011222.db2.gz LHSRWNCASFMZBA-UHFFFAOYSA-N 1 2 249.310 2.716 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccn(C)n1 ZINC000840743299 585029722 /nfs/dbraw/zinc/02/97/22/585029722.db2.gz XCHYFXZEOSVJJJ-LLVKDONJSA-N 1 2 244.342 2.659 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2C)no1 ZINC000838865112 585076378 /nfs/dbraw/zinc/07/63/78/585076378.db2.gz ZFNSORNQCDDPRM-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1nonc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000839096335 585090731 /nfs/dbraw/zinc/09/07/31/585090731.db2.gz LUQJNVAGILCUHU-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO CC(C)C1(O)C[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000839132185 585094197 /nfs/dbraw/zinc/09/41/97/585094197.db2.gz CHTFAAVEPJCVBU-ONEGZZNKSA-N 1 2 249.329 2.542 20 0 BFADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c(=S)s1 ZINC000740860931 585107598 /nfs/dbraw/zinc/10/75/98/585107598.db2.gz JQRPTNCFXFSYLK-JGVFFNPUSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c(=S)s1 ZINC000740860931 585107599 /nfs/dbraw/zinc/10/75/99/585107599.db2.gz JQRPTNCFXFSYLK-JGVFFNPUSA-N 1 2 243.401 2.670 20 0 BFADLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccoc2)o1 ZINC000742374468 585125367 /nfs/dbraw/zinc/12/53/67/585125367.db2.gz YVCFIPJZPMIMGL-CYBMUJFWSA-N 1 2 249.310 2.912 20 0 BFADLO Cc1nc(N(C)CCc2ccccc2F)cc[nH+]1 ZINC000742406805 585125790 /nfs/dbraw/zinc/12/57/90/585125790.db2.gz QYZDXGLWWABVEL-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO O=C(Nc1ccsc1)c1cccc2[nH+]ccn21 ZINC000749353272 585201640 /nfs/dbraw/zinc/20/16/40/585201640.db2.gz RTOOJAONJNGKHL-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO Cc1ccc([N@H+](C)CCC(C)(C)O)cc1C ZINC000749797754 585206143 /nfs/dbraw/zinc/20/61/43/585206143.db2.gz VMFRVLAHPVXMRD-UHFFFAOYSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc([N@@H+](C)CCC(C)(C)O)cc1C ZINC000749797754 585206144 /nfs/dbraw/zinc/20/61/44/585206144.db2.gz VMFRVLAHPVXMRD-UHFFFAOYSA-N 1 2 221.344 2.901 20 0 BFADLO C/C=C(/C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000751367504 585227759 /nfs/dbraw/zinc/22/77/59/585227759.db2.gz NTFQSWTXCRZMBP-WTKPLQERSA-N 1 2 229.283 2.547 20 0 BFADLO CSC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000751570513 585233031 /nfs/dbraw/zinc/23/30/31/585233031.db2.gz MBSMPZOBFNOQMV-WAYWQWQTSA-N 1 2 247.323 2.687 20 0 BFADLO FCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752101476 585242469 /nfs/dbraw/zinc/24/24/69/585242469.db2.gz KSVCJAPELGVLKU-JTQLQIEISA-N 1 2 243.709 2.763 20 0 BFADLO FCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000752101476 585242470 /nfs/dbraw/zinc/24/24/70/585242470.db2.gz KSVCJAPELGVLKU-JTQLQIEISA-N 1 2 243.709 2.763 20 0 BFADLO C[C@H]([N@H+](C)Cn1ncsc1=S)C1(C)CC1 ZINC000753107504 585253526 /nfs/dbraw/zinc/25/35/26/585253526.db2.gz ASARBPRHTPEDKR-QMMMGPOBSA-N 1 2 243.401 2.752 20 0 BFADLO C[C@H]([N@@H+](C)Cn1ncsc1=S)C1(C)CC1 ZINC000753107504 585253527 /nfs/dbraw/zinc/25/35/27/585253527.db2.gz ASARBPRHTPEDKR-QMMMGPOBSA-N 1 2 243.401 2.752 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(CF)cc2)n1 ZINC000754688204 585289368 /nfs/dbraw/zinc/28/93/68/585289368.db2.gz GSVSUCLAPNCTHI-VIFPVBQESA-N 1 2 249.289 2.698 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(CF)cc2)o1 ZINC000755143479 585295331 /nfs/dbraw/zinc/29/53/31/585295331.db2.gz QOPXXXQAMHDCPA-VIFPVBQESA-N 1 2 249.289 2.698 20 0 BFADLO Cc1ccc(NC(=S)NC(C)(C)C)c(C)[nH+]1 ZINC000755733426 585304934 /nfs/dbraw/zinc/30/49/34/585304934.db2.gz RKWZIRMDEQAQIC-UHFFFAOYSA-N 1 2 237.372 2.783 20 0 BFADLO CC[C@H](C)NC(=S)Nc1ccc(C)[nH+]c1C ZINC000755731255 585305134 /nfs/dbraw/zinc/30/51/34/585305134.db2.gz HBHUKRHGWNOXFK-QMMMGPOBSA-N 1 2 237.372 2.783 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000755770558 585306751 /nfs/dbraw/zinc/30/67/51/585306751.db2.gz HRMRPFBFGZOOLC-UHFFFAOYSA-N 1 2 218.300 2.993 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC[C@H]1CCC[C@H](C)C1 ZINC000756886546 585324623 /nfs/dbraw/zinc/32/46/23/585324623.db2.gz PYSPHCUXSQLJET-QJPTWQEYSA-N 1 2 242.363 2.736 20 0 BFADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCF ZINC000759341460 585368914 /nfs/dbraw/zinc/36/89/14/585368914.db2.gz GSOQIOWOEGFNLO-BZPMIXESSA-N 1 2 237.318 2.806 20 0 BFADLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCF ZINC000759341460 585368915 /nfs/dbraw/zinc/36/89/15/585368915.db2.gz GSOQIOWOEGFNLO-BZPMIXESSA-N 1 2 237.318 2.806 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@H+]1CCF ZINC000759341784 585368998 /nfs/dbraw/zinc/36/89/98/585368998.db2.gz DYPIMDGCTFIWSI-VIFPVBQESA-N 1 2 211.255 2.714 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCF ZINC000759341784 585368999 /nfs/dbraw/zinc/36/89/99/585368999.db2.gz DYPIMDGCTFIWSI-VIFPVBQESA-N 1 2 211.255 2.714 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCF ZINC000759345987 585370337 /nfs/dbraw/zinc/37/03/37/585370337.db2.gz VEPYEAYAVJQNFH-SECBINFHSA-N 1 2 211.255 2.714 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCF ZINC000759345987 585370338 /nfs/dbraw/zinc/37/03/38/585370338.db2.gz VEPYEAYAVJQNFH-SECBINFHSA-N 1 2 211.255 2.714 20 0 BFADLO C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc[nH]1 ZINC000760446777 585392667 /nfs/dbraw/zinc/39/26/67/585392667.db2.gz VXSDJYIZOBAAGZ-SNVBAGLBSA-N 1 2 240.310 2.742 20 0 BFADLO CCOC(=O)[C@@H]([NH2+][C@H]1C=CCCC1)C(C)(C)C ZINC000760916839 585401678 /nfs/dbraw/zinc/40/16/78/585401678.db2.gz OWCBFDCXKJZARX-NWDGAFQWSA-N 1 2 239.359 2.663 20 0 BFADLO Cc1nc(C[NH+]2CCC(CC(C)C)CC2)no1 ZINC000760921099 585401853 /nfs/dbraw/zinc/40/18/53/585401853.db2.gz OEGKUSVRBDSMJA-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(NCc2c(F)cccc2F)cc[nH+]1 ZINC000761913922 585422671 /nfs/dbraw/zinc/42/26/71/585422671.db2.gz JWSOJSALMOALCP-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cocn2)Cc2ccccc21 ZINC000762949339 585439905 /nfs/dbraw/zinc/43/99/05/585439905.db2.gz ATZNXVBYPQVUEH-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cocn2)Cc2ccccc21 ZINC000762949339 585439906 /nfs/dbraw/zinc/43/99/06/585439906.db2.gz ATZNXVBYPQVUEH-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCO1 ZINC000763553257 585450528 /nfs/dbraw/zinc/45/05/28/585450528.db2.gz KZNHCRAQNBTMRK-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCO1 ZINC000763553257 585450529 /nfs/dbraw/zinc/45/05/29/585450529.db2.gz KZNHCRAQNBTMRK-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@H](C)CO[NH+]=C(N)c1ccccc1C ZINC000764526524 585467309 /nfs/dbraw/zinc/46/73/09/585467309.db2.gz APLMWKKLSIKOSK-JTQLQIEISA-N 1 2 220.316 2.888 20 0 BFADLO Cc1cc(Cl)ccc1Cn1cc[nH+]c1 ZINC000768803690 585543731 /nfs/dbraw/zinc/54/37/31/585543731.db2.gz NWOUGZGDUJAGNI-UHFFFAOYSA-N 1 2 206.676 2.893 20 0 BFADLO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000769873356 585565709 /nfs/dbraw/zinc/56/57/09/585565709.db2.gz LHPQLWPTUCXXHY-SECBINFHSA-N 1 2 249.314 2.693 20 0 BFADLO CCCCN(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000770066701 585570608 /nfs/dbraw/zinc/57/06/08/585570608.db2.gz ZRSUNLAWZSBNBJ-UHFFFAOYSA-N 1 2 245.326 2.597 20 0 BFADLO CC(C)CCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770732137 585580702 /nfs/dbraw/zinc/58/07/02/585580702.db2.gz DZPUYCRHVPYOIL-UHFFFAOYSA-N 1 2 246.310 2.814 20 0 BFADLO CC(C)=CCO[NH+]=C(N)Cc1cccs1 ZINC000808256823 585595527 /nfs/dbraw/zinc/59/55/27/585595527.db2.gz HHDMRBDFMZQBTR-UHFFFAOYSA-N 1 2 224.329 2.755 20 0 BFADLO Cc1ccc(COC(=O)c2ccoc2)c(C)[nH+]1 ZINC000771963321 585605754 /nfs/dbraw/zinc/60/57/54/585605754.db2.gz BCFYVZHIRMJPHU-UHFFFAOYSA-N 1 2 231.251 2.648 20 0 BFADLO Cc1ccc(COC(=O)[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000772171053 585609597 /nfs/dbraw/zinc/60/95/97/585609597.db2.gz WIJZXNIIRGAWHU-JTQLQIEISA-N 1 2 233.311 2.788 20 0 BFADLO C/C=C(/C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772188109 585609656 /nfs/dbraw/zinc/60/96/56/585609656.db2.gz ZAQGSIFOODYMAF-UITAMQMPSA-N 1 2 219.284 2.708 20 0 BFADLO CC(=O)CCCC(=O)OCc1ccc(C)[nH+]c1C ZINC000772369814 585613391 /nfs/dbraw/zinc/61/33/91/585613391.db2.gz OVDYSKZGMNPHJW-UHFFFAOYSA-N 1 2 249.310 2.501 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000775449908 585678117 /nfs/dbraw/zinc/67/81/17/585678117.db2.gz RHHUIBYSFJKJCH-ZDUSSCGKSA-N 1 2 231.299 2.557 20 0 BFADLO CC(C)COC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000776593496 585702369 /nfs/dbraw/zinc/70/23/69/585702369.db2.gz WZVWZGOCGZLYKN-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO CC(C)COC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000776593496 585702370 /nfs/dbraw/zinc/70/23/70/585702370.db2.gz WZVWZGOCGZLYKN-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642979 585717799 /nfs/dbraw/zinc/71/77/99/585717799.db2.gz HCGIWPVZOCQDOF-VXGBXAGGSA-N 1 2 236.359 2.896 20 0 BFADLO C[N@H+](CCF)Cc1cc(F)c(F)c(F)c1 ZINC000777740996 585719471 /nfs/dbraw/zinc/71/94/71/585719471.db2.gz KAPHZPLUGAPQGY-UHFFFAOYSA-N 1 2 221.197 2.505 20 0 BFADLO C[N@@H+](CCF)Cc1cc(F)c(F)c(F)c1 ZINC000777740996 585719472 /nfs/dbraw/zinc/71/94/72/585719472.db2.gz KAPHZPLUGAPQGY-UHFFFAOYSA-N 1 2 221.197 2.505 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C)[C@@H](F)C2)cc[nH+]1 ZINC000778000115 585725168 /nfs/dbraw/zinc/72/51/68/585725168.db2.gz MONZFMPDGOSYDO-MNOVXSKESA-N 1 2 237.322 2.784 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cccnc2Cl)C[C@H]1F ZINC000778229939 585728234 /nfs/dbraw/zinc/72/82/34/585728234.db2.gz AQHSYFYDPYESPK-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@H]1F ZINC000778229939 585728235 /nfs/dbraw/zinc/72/82/35/585728235.db2.gz AQHSYFYDPYESPK-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO Cl/C=C(\Cl)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778229189 585728581 /nfs/dbraw/zinc/72/85/81/585728581.db2.gz WZLSDQGBGPEMSM-XZLDQRQTSA-N 1 2 246.141 2.866 20 0 BFADLO Clc1nn(C[N@H+]2CC=CCC2)c2ccccc12 ZINC000778576493 585737478 /nfs/dbraw/zinc/73/74/78/585737478.db2.gz MFEIYFJIDOCOGG-UHFFFAOYSA-N 1 2 247.729 2.909 20 0 BFADLO Clc1nn(C[N@@H+]2CC=CCC2)c2ccccc12 ZINC000778576493 585737479 /nfs/dbraw/zinc/73/74/79/585737479.db2.gz MFEIYFJIDOCOGG-UHFFFAOYSA-N 1 2 247.729 2.909 20 0 BFADLO Cc1ccc([C@@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000778960898 585743056 /nfs/dbraw/zinc/74/30/56/585743056.db2.gz MGLJNSMSFSBUHH-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1ccc([C@@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000778960898 585743057 /nfs/dbraw/zinc/74/30/57/585743057.db2.gz MGLJNSMSFSBUHH-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)CCO)c(C)c1 ZINC000779415427 585754078 /nfs/dbraw/zinc/75/40/78/585754078.db2.gz DRXUMMYPRZBZGX-LLVKDONJSA-N 1 2 223.316 2.577 20 0 BFADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@@H](C)CCO ZINC000779416275 585754144 /nfs/dbraw/zinc/75/41/44/585754144.db2.gz LZZCKMZQPYAPQH-ZDUSSCGKSA-N 1 2 248.370 2.778 20 0 BFADLO CCCOc1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000779418861 585754538 /nfs/dbraw/zinc/75/45/38/585754538.db2.gz FTJONTQOGHZUSO-NSHDSACASA-N 1 2 223.316 2.658 20 0 BFADLO Cc1cc([NH2+][C@@H](C)CCO)ccc1OC(C)C ZINC000779422690 585754593 /nfs/dbraw/zinc/75/45/93/585754593.db2.gz QXBCBUDAQBNQBA-LBPRGKRZSA-N 1 2 237.343 2.965 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nccn2C)Cc2ccccc21 ZINC000779461193 585755600 /nfs/dbraw/zinc/75/56/00/585755600.db2.gz XYWZCJFYIHKDMM-GFCCVEGCSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nccn2C)Cc2ccccc21 ZINC000779461193 585755601 /nfs/dbraw/zinc/75/56/01/585755601.db2.gz XYWZCJFYIHKDMM-GFCCVEGCSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@@H]1CCOCC[N@@H+]1Cc1c(F)cccc1F ZINC000780314680 585777511 /nfs/dbraw/zinc/77/75/11/585777511.db2.gz KLJUKCFVJRDRRG-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1CCOCC[N@H+]1Cc1c(F)cccc1F ZINC000780314680 585777512 /nfs/dbraw/zinc/77/75/12/585777512.db2.gz KLJUKCFVJRDRRG-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO CC/C(C)=C(\C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000781011930 585788353 /nfs/dbraw/zinc/78/83/53/585788353.db2.gz AIYURIIZUANLMY-IIANPFDCSA-N 1 2 247.342 2.820 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCC[C@H](C)C1 ZINC000781612583 585800410 /nfs/dbraw/zinc/80/04/10/585800410.db2.gz LHHKMOIYKSICCY-NWDGAFQWSA-N 1 2 242.363 2.736 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC1CCC(C)(C)CC1 ZINC000781614868 585800518 /nfs/dbraw/zinc/80/05/18/585800518.db2.gz PVTMOEYAKSZYKN-SNVBAGLBSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783160258 585828769 /nfs/dbraw/zinc/82/87/69/585828769.db2.gz QUXZGDIOZMWAES-UHFFFAOYSA-N 1 2 238.306 2.913 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCCC1CC1 ZINC000783557948 585836687 /nfs/dbraw/zinc/83/66/87/585836687.db2.gz BQZWKWUDWCKJTN-UHFFFAOYSA-N 1 2 224.329 2.589 20 0 BFADLO Cc1cc(NCC[C@@H]2CCOC2)ccc1[NH+](C)C ZINC000783582625 585837412 /nfs/dbraw/zinc/83/74/12/585837412.db2.gz PRHXAPXUKKFYPY-CYBMUJFWSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccc(F)nc1C ZINC000784297471 585855076 /nfs/dbraw/zinc/85/50/76/585855076.db2.gz BCVTZFCKXQSBHC-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CO[C@@H]1C[N@H+](C/C(Cl)=C\Cl)CC[C@H]1C ZINC000784363440 585857173 /nfs/dbraw/zinc/85/71/73/585857173.db2.gz CFGHZXZJAIZUSW-QCHKVSTKSA-N 1 2 238.158 2.662 20 0 BFADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)CC[C@H]1C ZINC000784363440 585857174 /nfs/dbraw/zinc/85/71/74/585857174.db2.gz CFGHZXZJAIZUSW-QCHKVSTKSA-N 1 2 238.158 2.662 20 0 BFADLO CC[C@H](NC(=O)/C(C)=C\C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421027 585873275 /nfs/dbraw/zinc/87/32/75/585873275.db2.gz KNRQARYODXRLQD-JUDLJHIGSA-N 1 2 249.358 2.969 20 0 BFADLO CC[C@H](NC(=O)C(C)=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421027 585873276 /nfs/dbraw/zinc/87/32/76/585873276.db2.gz KNRQARYODXRLQD-JUDLJHIGSA-N 1 2 249.358 2.969 20 0 BFADLO Fc1c(F)c(F)c(Cn2cc[nH+]c2)c(F)c1F ZINC000788638931 585928143 /nfs/dbraw/zinc/92/81/43/585928143.db2.gz KGPFHMANGQNJEF-UHFFFAOYSA-N 1 2 248.154 2.627 20 0 BFADLO Cc1ccc(-c2cn3c([nH+]2)CCC3)s1 ZINC000788868007 585931657 /nfs/dbraw/zinc/93/16/57/585931657.db2.gz VHSGNSMQZXKIBX-UHFFFAOYSA-N 1 2 204.298 2.866 20 0 BFADLO C/C=C(\CC)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000789239491 585938003 /nfs/dbraw/zinc/93/80/03/585938003.db2.gz UGPRNRKEQOYKGI-LFYBBSHMSA-N 1 2 248.326 2.547 20 0 BFADLO C/C=C(\CC)C(=O)OCc1cccc2[nH+]ccn21 ZINC000789400818 585942147 /nfs/dbraw/zinc/94/21/47/585942147.db2.gz UJWGVDCXWAWOFP-QDEBKDIKSA-N 1 2 244.294 2.734 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccc(F)nc2)nc1 ZINC000789594360 585945225 /nfs/dbraw/zinc/94/52/25/585945225.db2.gz LITQXMSUNHHNNP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccc(F)nc2)nc1 ZINC000789594360 585945226 /nfs/dbraw/zinc/94/52/26/585945226.db2.gz LITQXMSUNHHNNP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C/C=C(\CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000789655911 585947939 /nfs/dbraw/zinc/94/79/39/585947939.db2.gz XNSDLRFMXPKSMK-XCVCLJGOSA-N 1 2 229.283 2.629 20 0 BFADLO C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OC1CCCC1 ZINC000789748754 585949302 /nfs/dbraw/zinc/94/93/02/585949302.db2.gz YRHGAVPKXBSXIX-JTQLQIEISA-N 1 2 239.359 2.639 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cc[nH]c(=O)c2)c[nH+]1 ZINC000791138411 585974510 /nfs/dbraw/zinc/97/45/10/585974510.db2.gz VRYAALQBKPHBSQ-JTQLQIEISA-N 1 2 229.283 2.664 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCCC12CCC2 ZINC000859280546 589027041 /nfs/dbraw/zinc/02/70/41/589027041.db2.gz JHGAYGMQNSEGCP-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCCC12CCC2 ZINC000859280546 589027044 /nfs/dbraw/zinc/02/70/44/589027044.db2.gz JHGAYGMQNSEGCP-UHFFFAOYSA-N 1 2 247.342 2.856 20 0 BFADLO CC(C)(C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791932003 585991882 /nfs/dbraw/zinc/99/18/82/585991882.db2.gz VAQJNGTUXVCATQ-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2CC2(F)CC2)no1 ZINC000792788395 586005501 /nfs/dbraw/zinc/00/55/01/586005501.db2.gz CVTLVUSLRDVZCB-LLVKDONJSA-N 1 2 224.279 2.622 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2CC2(F)CC2)no1 ZINC000792788395 586005502 /nfs/dbraw/zinc/00/55/02/586005502.db2.gz CVTLVUSLRDVZCB-LLVKDONJSA-N 1 2 224.279 2.622 20 0 BFADLO C[N@H+](CCF)[C@]1(c2ccccc2)CCCCC1=O ZINC000792880738 586006593 /nfs/dbraw/zinc/00/65/93/586006593.db2.gz UHDWOPUCQSNYSO-HNNXBMFYSA-N 1 2 249.329 2.926 20 0 BFADLO C[N@@H+](CCF)[C@]1(c2ccccc2)CCCCC1=O ZINC000792880738 586006594 /nfs/dbraw/zinc/00/65/94/586006594.db2.gz UHDWOPUCQSNYSO-HNNXBMFYSA-N 1 2 249.329 2.926 20 0 BFADLO CC(C)([NH2+]Cc1ccc2c[nH]nc2c1)C(F)F ZINC000793254559 586015230 /nfs/dbraw/zinc/01/52/30/586015230.db2.gz KSSVLTJWCSQFPY-UHFFFAOYSA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cn1sc2ccccc2c1=O ZINC000793818417 586026936 /nfs/dbraw/zinc/02/69/36/586026936.db2.gz DTVINHBXMGBVPW-JTQLQIEISA-N 1 2 248.351 2.505 20 0 BFADLO CC[C@H]1CC[N@H+]1Cn1sc2ccccc2c1=O ZINC000793818417 586026937 /nfs/dbraw/zinc/02/69/37/586026937.db2.gz DTVINHBXMGBVPW-JTQLQIEISA-N 1 2 248.351 2.505 20 0 BFADLO CC1=C(C)C[N@H+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859289746 589028562 /nfs/dbraw/zinc/02/85/62/589028562.db2.gz OHFYRGWIGYCTMF-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859289746 589028564 /nfs/dbraw/zinc/02/85/64/589028564.db2.gz OHFYRGWIGYCTMF-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO FC1(F)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000795275096 586074153 /nfs/dbraw/zinc/07/41/53/586074153.db2.gz VONYRBMXJNXQCO-UHFFFAOYSA-N 1 2 249.264 2.865 20 0 BFADLO Fc1cc(C[N@@H+]2CCCc3occc3C2)ccn1 ZINC000859306318 589030001 /nfs/dbraw/zinc/03/00/01/589030001.db2.gz NSBIEUFSRSLUQE-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1cc(C[N@H+]2CCCc3occc3C2)ccn1 ZINC000859306318 589030002 /nfs/dbraw/zinc/03/00/02/589030002.db2.gz NSBIEUFSRSLUQE-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO CCCCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000795816013 586092629 /nfs/dbraw/zinc/09/26/29/586092629.db2.gz RLCKHHUPVGWXIS-UHFFFAOYSA-N 1 2 246.310 2.876 20 0 BFADLO CC(C)C[C@H](C)CO[NH+]=C(N)COC(C)C ZINC000799174096 586164791 /nfs/dbraw/zinc/16/47/91/586164791.db2.gz ABPFKSRHQZOECJ-NSHDSACASA-N 1 2 230.352 2.592 20 0 BFADLO CC[C@H]1C[N@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000799200317 586167545 /nfs/dbraw/zinc/16/75/45/586167545.db2.gz HGBBTIMAUFFKOS-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000799200317 586167546 /nfs/dbraw/zinc/16/75/46/586167546.db2.gz HGBBTIMAUFFKOS-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)C1C[NH+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000799735462 586195136 /nfs/dbraw/zinc/19/51/36/586195136.db2.gz VDFSQHLAKOKTGH-UHFFFAOYSA-N 1 2 247.264 2.516 20 0 BFADLO Cc1sc(/C=C\c2cn(C)c[nH+]2)cc1C=O ZINC000800794398 586229579 /nfs/dbraw/zinc/22/95/79/586229579.db2.gz FKJWTMWPMLJHIF-ARJAWSKDSA-N 1 2 232.308 2.773 20 0 BFADLO FCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000801589072 586265430 /nfs/dbraw/zinc/26/54/30/586265430.db2.gz ZDIZHSCOYCXRLI-LBPRGKRZSA-N 1 2 211.255 2.527 20 0 BFADLO FCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000801589072 586265432 /nfs/dbraw/zinc/26/54/32/586265432.db2.gz ZDIZHSCOYCXRLI-LBPRGKRZSA-N 1 2 211.255 2.527 20 0 BFADLO CC1(C)CCC(C)(C)[N@H+](Cc2cnsn2)C1 ZINC000859473928 589040249 /nfs/dbraw/zinc/04/02/49/589040249.db2.gz KFEHWJNVNUYCTI-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO CC1(C)CCC(C)(C)[N@@H+](Cc2cnsn2)C1 ZINC000859473928 589040251 /nfs/dbraw/zinc/04/02/51/589040251.db2.gz KFEHWJNVNUYCTI-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO CC[N@H+](CCc1ccnn1C)c1ccc(C)cc1 ZINC000801930737 586278714 /nfs/dbraw/zinc/27/87/14/586278714.db2.gz GBHWTKQJRBPREQ-UHFFFAOYSA-N 1 2 243.354 2.798 20 0 BFADLO CC[N@@H+](CCc1ccnn1C)c1ccc(C)cc1 ZINC000801930737 586278716 /nfs/dbraw/zinc/27/87/16/586278716.db2.gz GBHWTKQJRBPREQ-UHFFFAOYSA-N 1 2 243.354 2.798 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)s1 ZINC000802654512 586309292 /nfs/dbraw/zinc/30/92/92/586309292.db2.gz XMSJRDJGVURZAZ-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)s1 ZINC000802654512 586309294 /nfs/dbraw/zinc/30/92/94/586309294.db2.gz XMSJRDJGVURZAZ-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OC)c(CO)c1 ZINC000806158534 586406091 /nfs/dbraw/zinc/40/60/91/586406091.db2.gz ZTYXJHWHHAZHMA-GWCFXTLKSA-N 1 2 235.327 2.788 20 0 BFADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc1CO ZINC000806156705 586406148 /nfs/dbraw/zinc/40/61/48/586406148.db2.gz IMEGZWFGGAJABA-ZIAGYGMSSA-N 1 2 247.338 2.788 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)n(C)n1 ZINC000806181265 586407440 /nfs/dbraw/zinc/40/74/40/586407440.db2.gz WBYPREZAGYEADX-MWLCHTKSSA-N 1 2 243.301 2.567 20 0 BFADLO CC(C)=CCO[NH+]=C(N)c1ccccc1C ZINC000808243550 586468496 /nfs/dbraw/zinc/46/84/96/586468496.db2.gz CRNZZVSDKABJGZ-UHFFFAOYSA-N 1 2 218.300 2.808 20 0 BFADLO CSCc1ccc(NCc2cn(C)c[nH+]2)cc1 ZINC000808398698 586471338 /nfs/dbraw/zinc/47/13/38/586471338.db2.gz ISOWRUGOHLSHMP-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000811460895 586559103 /nfs/dbraw/zinc/55/91/03/586559103.db2.gz CECGKEASFBXWAR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2c(C)cccc2C1 ZINC000811460895 586559104 /nfs/dbraw/zinc/55/91/04/586559104.db2.gz CECGKEASFBXWAR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OCCO)cc2)[C@H]1C ZINC000813866525 586608387 /nfs/dbraw/zinc/60/83/87/586608387.db2.gz RMBQREQGKMPANQ-SUNKGSAMSA-N 1 2 235.327 2.514 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OC3COC3)cc2)[C@@H]1C ZINC000813868650 586608439 /nfs/dbraw/zinc/60/84/39/586608439.db2.gz IWQHDBZCBGWTNS-HFAKWTLXSA-N 1 2 247.338 2.921 20 0 BFADLO COc1ncc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1Cl ZINC000815162082 586671786 /nfs/dbraw/zinc/67/17/86/586671786.db2.gz BGHKNNWMRUOXQA-IUCAKERBSA-N 1 2 240.734 2.584 20 0 BFADLO COc1ncc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1Cl ZINC000815162082 586671787 /nfs/dbraw/zinc/67/17/87/586671787.db2.gz BGHKNNWMRUOXQA-IUCAKERBSA-N 1 2 240.734 2.584 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CC(C3CC3)C2)c1F ZINC000816615725 586744900 /nfs/dbraw/zinc/74/49/00/586744900.db2.gz DGDMOEWUXBZIRE-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO COc1cccc2c1C[N@H+](C/C=C/Cl)C2 ZINC000859939290 589072021 /nfs/dbraw/zinc/07/20/21/589072021.db2.gz UDANKHIUQJFKOM-ZZXKWVIFSA-N 1 2 223.703 2.763 20 0 BFADLO COc1cccc2c1C[N@@H+](C/C=C/Cl)C2 ZINC000859939290 589072023 /nfs/dbraw/zinc/07/20/23/589072023.db2.gz UDANKHIUQJFKOM-ZZXKWVIFSA-N 1 2 223.703 2.763 20 0 BFADLO Oc1cccc2c1CC[N@H+](C/C=C/Cl)C2 ZINC000859942513 589072280 /nfs/dbraw/zinc/07/22/80/589072280.db2.gz AWHRCFNKDOIGBS-QHHAFSJGSA-N 1 2 223.703 2.503 20 0 BFADLO Oc1cccc2c1CC[N@@H+](C/C=C/Cl)C2 ZINC000859942513 589072281 /nfs/dbraw/zinc/07/22/81/589072281.db2.gz AWHRCFNKDOIGBS-QHHAFSJGSA-N 1 2 223.703 2.503 20 0 BFADLO Oc1cccc2c1CC[N@H+](C/C=C\Cl)C2 ZINC000859942512 589072507 /nfs/dbraw/zinc/07/25/07/589072507.db2.gz AWHRCFNKDOIGBS-KXFIGUGUSA-N 1 2 223.703 2.503 20 0 BFADLO Oc1cccc2c1CC[N@@H+](C/C=C\Cl)C2 ZINC000859942512 589072508 /nfs/dbraw/zinc/07/25/08/589072508.db2.gz AWHRCFNKDOIGBS-KXFIGUGUSA-N 1 2 223.703 2.503 20 0 BFADLO CCCC[C@@H](CC)CC(=O)NC1=[NH+]CCS1 ZINC000117119942 589075044 /nfs/dbraw/zinc/07/50/44/589075044.db2.gz NVNSLQKBARCOJE-SNVBAGLBSA-N 1 2 242.388 2.812 20 0 BFADLO CC(F)(F)C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819331915 586953239 /nfs/dbraw/zinc/95/32/39/586953239.db2.gz FZQWQMZSNIYXSP-SNVBAGLBSA-N 1 2 249.688 2.618 20 0 BFADLO C[C@H]1C[NH+]=C(NC(=O)CC2CCCCC2)S1 ZINC000819763351 586991058 /nfs/dbraw/zinc/99/10/58/586991058.db2.gz OECWXCPQDAOCQU-VIFPVBQESA-N 1 2 240.372 2.564 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781180 586993815 /nfs/dbraw/zinc/99/38/15/586993815.db2.gz JGKNSTUZTRLXIP-BNICOGTQSA-N 1 2 240.372 2.586 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781187 586994154 /nfs/dbraw/zinc/99/41/54/586994154.db2.gz JGKNSTUZTRLXIP-ORZBULNSSA-N 1 2 240.372 2.586 20 0 BFADLO C[C@@H]1C[NH+]=C(NC(=O)C2(C)CCCCC2)S1 ZINC000819784271 586994842 /nfs/dbraw/zinc/99/48/42/586994842.db2.gz YFYXIVLSJNJZMR-SECBINFHSA-N 1 2 240.372 2.564 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCC1(C)CC1 ZINC000821309039 587106219 /nfs/dbraw/zinc/10/62/19/587106219.db2.gz PYNDVUQMCSXUMU-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@H](CC)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000821515423 587124267 /nfs/dbraw/zinc/12/42/67/587124267.db2.gz GRZCDAPAUQBPLJ-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)c1ccoc1 ZINC000822323542 587162303 /nfs/dbraw/zinc/16/23/03/587162303.db2.gz KEWZZZSPXSXBBR-UHFFFAOYSA-N 1 2 248.282 2.657 20 0 BFADLO CC/C=C(/C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823841414 587242142 /nfs/dbraw/zinc/24/21/42/587242142.db2.gz MERIWWSIQNJMNT-POHAHGRESA-N 1 2 218.300 2.993 20 0 BFADLO CC(C)C1C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000824307306 587265515 /nfs/dbraw/zinc/26/55/15/587265515.db2.gz GCHLXTRFHIAWIM-UHFFFAOYSA-N 1 2 242.725 2.962 20 0 BFADLO CN(C(=O)Cc1[nH]cc[nH+]1)C1CCCCCCC1 ZINC000824939581 587294140 /nfs/dbraw/zinc/29/41/40/587294140.db2.gz XSZMKIZQGLOQDL-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@H](CC(=O)NCCCCC1CC1)n1cc[nH+]c1 ZINC000825661578 587329838 /nfs/dbraw/zinc/32/98/38/587329838.db2.gz KFIRMFFISZDJJU-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO CCCn1nccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000826029317 587348803 /nfs/dbraw/zinc/34/88/03/587348803.db2.gz DKNUXBZPXDHVBD-CYBMUJFWSA-N 1 2 239.338 2.617 20 0 BFADLO CCCn1nccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000826029317 587348804 /nfs/dbraw/zinc/34/88/04/587348804.db2.gz DKNUXBZPXDHVBD-CYBMUJFWSA-N 1 2 239.338 2.617 20 0 BFADLO CCc1ccc([N@H+](CC)CC[C@H](C)O)cc1 ZINC000828206221 587424098 /nfs/dbraw/zinc/42/40/98/587424098.db2.gz RRENROCUBTZOIK-LBPRGKRZSA-N 1 2 221.344 2.846 20 0 BFADLO CCc1ccc([N@@H+](CC)CC[C@H](C)O)cc1 ZINC000828206221 587424099 /nfs/dbraw/zinc/42/40/99/587424099.db2.gz RRENROCUBTZOIK-LBPRGKRZSA-N 1 2 221.344 2.846 20 0 BFADLO Clc1cnc(N[C@H]2CCn3cc[nH+]c32)s1 ZINC000828359283 587438562 /nfs/dbraw/zinc/43/85/62/587438562.db2.gz ZHVFDOHDRCSSKY-LURJTMIESA-N 1 2 240.719 2.550 20 0 BFADLO FC(F)(F)C1C[NH+](C[C@H]2CC2(Cl)Cl)C1 ZINC000828398549 587439994 /nfs/dbraw/zinc/43/99/94/587439994.db2.gz CFDAKTWPMZVNSD-RXMQYKEDSA-N 1 2 248.075 2.674 20 0 BFADLO Clc1cc2c(nn1)C[N@H+](CC1=CCCC1)CC2 ZINC000829185258 587487179 /nfs/dbraw/zinc/48/71/79/587487179.db2.gz QOURWIYTYYZSOW-UHFFFAOYSA-N 1 2 249.745 2.598 20 0 BFADLO Clc1cc2c(nn1)C[N@@H+](CC1=CCCC1)CC2 ZINC000829185258 587487181 /nfs/dbraw/zinc/48/71/81/587487181.db2.gz QOURWIYTYYZSOW-UHFFFAOYSA-N 1 2 249.745 2.598 20 0 BFADLO c1cn(CCCN(c2ccccc2)C2CC2)c[nH+]1 ZINC000832161071 587647646 /nfs/dbraw/zinc/64/76/46/587647646.db2.gz VUJOVSJTAKLMCT-UHFFFAOYSA-N 1 2 241.338 2.942 20 0 BFADLO CCn1cc([C@@H](C)[NH2+]C/C(Cl)=C/Cl)cn1 ZINC000832313280 587653693 /nfs/dbraw/zinc/65/36/93/587653693.db2.gz GAQXIHORDFNFJJ-YXSUAUNDSA-N 1 2 248.157 2.873 20 0 BFADLO CC[C@H](CC(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271316 587703394 /nfs/dbraw/zinc/70/33/94/587703394.db2.gz GKFBSHFGNWJBBR-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@](C)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833271904 587704038 /nfs/dbraw/zinc/70/40/38/587704038.db2.gz KILHRSFVUVRZIP-FZMZJTMJSA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833271906 587704315 /nfs/dbraw/zinc/70/43/15/587704315.db2.gz KILHRSFVUVRZIP-SMDDNHRTSA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833284697 587704454 /nfs/dbraw/zinc/70/44/54/587704454.db2.gz KBPHRSIXMNWQBL-LLVKDONJSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@H](CC(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000833292864 587705467 /nfs/dbraw/zinc/70/54/67/587705467.db2.gz NYXLEMXWTACKHH-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2ccco2)co1 ZINC000834901691 587770091 /nfs/dbraw/zinc/77/00/91/587770091.db2.gz XZQVZSWNOMRRIB-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)OCc1c[nH+]cn1C ZINC000835193982 587788404 /nfs/dbraw/zinc/78/84/04/587788404.db2.gz ICPKFSSFIAEXDJ-NSHDSACASA-N 1 2 238.331 2.536 20 0 BFADLO CC/C(C)=C\C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835288230 587794613 /nfs/dbraw/zinc/79/46/13/587794613.db2.gz ZYTLZQGICRGMIH-FLIBITNWSA-N 1 2 248.326 2.547 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836955712 587843770 /nfs/dbraw/zinc/84/37/70/587843770.db2.gz RWFZAVAPUGRFKA-UPZHYSAYSA-N 1 2 247.342 2.752 20 0 BFADLO CCCCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836958108 587844069 /nfs/dbraw/zinc/84/40/69/587844069.db2.gz GANCVSSYKPTEHQ-RYUDHWBXSA-N 1 2 249.358 2.976 20 0 BFADLO CC(C)=C(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104613 587853931 /nfs/dbraw/zinc/85/39/31/587853931.db2.gz HBHOOPGQZFMWFK-UHFFFAOYSA-N 1 2 232.327 2.671 20 0 BFADLO C/C(=C/C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000837103807 587854060 /nfs/dbraw/zinc/85/40/60/587854060.db2.gz LZCXMANYSCLSBW-XFFZJAGNSA-N 1 2 244.338 2.671 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000837851021 587900369 /nfs/dbraw/zinc/90/03/69/587900369.db2.gz ZKJHKNPRGQSSDG-RYUDHWBXSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)=CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966763 587918350 /nfs/dbraw/zinc/91/83/50/587918350.db2.gz BISWIUASHVYTRX-UHFFFAOYSA-N 1 2 241.294 2.981 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2csnn2)c(C)o1 ZINC000840969199 587932415 /nfs/dbraw/zinc/93/24/15/587932415.db2.gz ANGGTGPIAOKNQS-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CCOc1ccc(NCc2[nH]cc[nH+]2)c(F)c1 ZINC000840976224 587933142 /nfs/dbraw/zinc/93/31/42/587933142.db2.gz NIXIXSZFPNZOSG-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO COc1ccc([NH2+][C@H](C)C2CCC2)cc1N ZINC000841041250 587938632 /nfs/dbraw/zinc/93/86/32/587938632.db2.gz YXISXKBYEOMLSZ-SECBINFHSA-N 1 2 220.316 2.878 20 0 BFADLO CO[C@@H](C)C(N)=[NH+]OC[C@@H](C)C1CCCCC1 ZINC000842036918 587991954 /nfs/dbraw/zinc/99/19/54/587991954.db2.gz RHPCAQFAWGKPGC-MNOVXSKESA-N 1 2 242.363 2.736 20 0 BFADLO Cc1ccc([C@@H]([NH3+])c2nc(CC(C)C)no2)cc1 ZINC000842569694 588042961 /nfs/dbraw/zinc/04/29/61/588042961.db2.gz HSTROVAXCPQQGD-CYBMUJFWSA-N 1 2 245.326 2.625 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC1=CCCC1 ZINC000842649954 588049060 /nfs/dbraw/zinc/04/90/60/588049060.db2.gz WDSXYIXGFOWXSH-NSHDSACASA-N 1 2 240.347 2.656 20 0 BFADLO CC[NH2+]Cc1noc(CCCC(C)(C)C)n1 ZINC000843144826 588085823 /nfs/dbraw/zinc/08/58/23/588085823.db2.gz LBCUSGLEAAZIPE-UHFFFAOYSA-N 1 2 225.336 2.548 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(/C)C(C)(C)C)n1 ZINC000843144641 588086183 /nfs/dbraw/zinc/08/61/83/588086183.db2.gz FROYKAFAJZYDMU-CLFYSBASSA-N 1 2 223.320 2.629 20 0 BFADLO CC[NH2+]Cc1noc(C2CCC(C)(C)CC2)n1 ZINC000843144947 588086648 /nfs/dbraw/zinc/08/66/48/588086648.db2.gz PBPVXEUIIQITSQ-UHFFFAOYSA-N 1 2 237.347 2.863 20 0 BFADLO CCCCS[C@H](C)c1nc(C[NH2+]CC)no1 ZINC000843145294 588086957 /nfs/dbraw/zinc/08/69/57/588086957.db2.gz IRHXOBOXKMEJHV-SECBINFHSA-N 1 2 243.376 2.773 20 0 BFADLO Cc1cc(-c2ccc(OCCCO)cc2)cc[nH+]1 ZINC000844231853 588175116 /nfs/dbraw/zinc/17/51/16/588175116.db2.gz GAVCGPRHWNGHON-UHFFFAOYSA-N 1 2 243.306 2.818 20 0 BFADLO Cc1cc(-c2ccc3c(c2)[C@@H](O)CCO3)cc[nH+]1 ZINC000844232168 588175585 /nfs/dbraw/zinc/17/55/85/588175585.db2.gz KWNDGZRWMABNLG-AWEZNQCLSA-N 1 2 241.290 2.873 20 0 BFADLO C[C@@H](CC(=O)OC[C@@H]1CC=CCC1)n1cc[nH+]c1 ZINC000844271871 588178809 /nfs/dbraw/zinc/17/88/09/588178809.db2.gz KYAVHLPWJWHGGD-QWHCGFSZSA-N 1 2 248.326 2.734 20 0 BFADLO C[C@@H](CC(=O)OC[C@H]1CC=CCC1)n1cc[nH+]c1 ZINC000844271874 588178953 /nfs/dbraw/zinc/17/89/53/588178953.db2.gz KYAVHLPWJWHGGD-STQMWFEESA-N 1 2 248.326 2.734 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)[C@H]1CCCOC1 ZINC000844404015 588189898 /nfs/dbraw/zinc/18/98/98/588189898.db2.gz JCHVSMQPZCZKQU-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)[C@H]1CCCOC1 ZINC000844404015 588189900 /nfs/dbraw/zinc/18/99/00/588189900.db2.gz JCHVSMQPZCZKQU-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO Fc1cc(F)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844456698 588196365 /nfs/dbraw/zinc/19/63/65/588196365.db2.gz GPDORFIGUKOMJW-PHIMTYICSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1cc(F)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000844456698 588196366 /nfs/dbraw/zinc/19/63/66/588196366.db2.gz GPDORFIGUKOMJW-PHIMTYICSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1cccc(F)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458560 588196455 /nfs/dbraw/zinc/19/64/55/588196455.db2.gz OSPFFVVPRRLGTG-DTORHVGOSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1cccc(F)c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844458560 588196457 /nfs/dbraw/zinc/19/64/57/588196457.db2.gz OSPFFVVPRRLGTG-DTORHVGOSA-N 1 2 245.219 2.662 20 0 BFADLO C[C@H](CC(=O)O[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000844470689 588198033 /nfs/dbraw/zinc/19/80/33/588198033.db2.gz QJHLNEHVCSHGJC-UTUOFQBUSA-N 1 2 236.315 2.566 20 0 BFADLO C[C@H](CC(=O)O[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000844470688 588198142 /nfs/dbraw/zinc/19/81/42/588198142.db2.gz QJHLNEHVCSHGJC-IJLUTSLNSA-N 1 2 236.315 2.566 20 0 BFADLO C[C@@H](CC(=O)O[C@@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000844470687 588198169 /nfs/dbraw/zinc/19/81/69/588198169.db2.gz QJHLNEHVCSHGJC-GRYCIOLGSA-N 1 2 236.315 2.566 20 0 BFADLO CCC(CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845285787 588225790 /nfs/dbraw/zinc/22/57/90/588225790.db2.gz SXZUKNDHDHFLSZ-SNVBAGLBSA-N 1 2 224.304 2.566 20 0 BFADLO CC(C)C[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284281 588225876 /nfs/dbraw/zinc/22/58/76/588225876.db2.gz AQJIMVKKBLKTRY-VXGBXAGGSA-N 1 2 238.331 2.812 20 0 BFADLO CCC[C@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845492763 588230676 /nfs/dbraw/zinc/23/06/76/588230676.db2.gz HVEQFUOQNZRLKF-NEPJUHHUSA-N 1 2 238.331 2.956 20 0 BFADLO O=C(/C=C\C1CCCCCC1)NCc1c[nH+]c[nH]1 ZINC000845579969 588233885 /nfs/dbraw/zinc/23/38/85/588233885.db2.gz DLXJSBBSYSFHHZ-FPLPWBNLSA-N 1 2 247.342 2.553 20 0 BFADLO O=C(C=CC1CCCCCC1)NCc1c[nH]c[nH+]1 ZINC000845579969 588233886 /nfs/dbraw/zinc/23/38/86/588233886.db2.gz DLXJSBBSYSFHHZ-FPLPWBNLSA-N 1 2 247.342 2.553 20 0 BFADLO Cc1nc(NCC[C@]2(C)C[C@]2(F)Cl)cc[nH+]1 ZINC000845655110 588239851 /nfs/dbraw/zinc/23/98/51/588239851.db2.gz YUJSSVXXBVGYQI-GHMZBOCLSA-N 1 2 243.713 2.902 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC3CCOCC3)ccc2O1 ZINC000846746332 588284305 /nfs/dbraw/zinc/28/43/05/588284305.db2.gz ZDANZXKGPLITBI-NSHDSACASA-N 1 2 247.338 2.849 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000846760294 588286352 /nfs/dbraw/zinc/28/63/52/588286352.db2.gz OQFIURBQXXEFQK-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000846760294 588286353 /nfs/dbraw/zinc/28/63/53/588286353.db2.gz OQFIURBQXXEFQK-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO Fc1cc(C[NH+]2CCCCC2)cnc1Cl ZINC000846769836 588287170 /nfs/dbraw/zinc/28/71/70/588287170.db2.gz KKUJUQHKGJBSHX-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CCC1(C)CC[NH+](Cc2cnsn2)CC1 ZINC000846793029 588288221 /nfs/dbraw/zinc/28/82/21/588288221.db2.gz QEFYMRYDHCUGFC-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO CC(C)CC1CC[NH+](Cc2cnsn2)CC1 ZINC000846818401 588291198 /nfs/dbraw/zinc/29/11/98/588291198.db2.gz UUPJBANQBHHRPH-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO c1nsnc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000846852019 588293256 /nfs/dbraw/zinc/29/32/56/588293256.db2.gz ZXUIJTNVKSTZJN-CYBMUJFWSA-N 1 2 245.351 2.779 20 0 BFADLO CC(C)([NH2+]Cc1cnsn1)c1cccs1 ZINC000846855292 588293532 /nfs/dbraw/zinc/29/35/32/588293532.db2.gz TYIZQGZEBDMWGZ-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO CCCCOC(=O)C(C)(C)[NH2+]CC1=CCCC1 ZINC000847056891 588305336 /nfs/dbraw/zinc/30/53/36/588305336.db2.gz CAHHFQKIKDGJTC-UHFFFAOYSA-N 1 2 239.359 2.808 20 0 BFADLO Cc1cc(NCc2cn(C)c[nH+]2)ccc1Cl ZINC000848573380 588398983 /nfs/dbraw/zinc/39/89/83/588398983.db2.gz UXGNVMPSBPVKRG-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CC(C)c1nc(N2Cc3ccncc3C2)cc[nH+]1 ZINC000848727161 588408957 /nfs/dbraw/zinc/40/89/57/588408957.db2.gz RGAKQYAPNDLJPZ-UHFFFAOYSA-N 1 2 240.310 2.515 20 0 BFADLO CC[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781837 588413557 /nfs/dbraw/zinc/41/35/57/588413557.db2.gz PIMZPTMRLFQTFE-JTQLQIEISA-N 1 2 232.283 2.598 20 0 BFADLO Cc1nonc1C[NH2+]Cc1ccccc1C(C)C ZINC000848910609 588419162 /nfs/dbraw/zinc/41/91/62/588419162.db2.gz LJOPPBKOZPQDOO-UHFFFAOYSA-N 1 2 245.326 2.791 20 0 BFADLO COc1cc(C)c(C)cc1NCc1[nH+]ccn1C ZINC000849318405 588471924 /nfs/dbraw/zinc/47/19/24/588471924.db2.gz NYJYWPDAAVFBKL-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO CC(C)=CCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000849817722 588503320 /nfs/dbraw/zinc/50/33/20/588503320.db2.gz DRADTLZSMDVVPB-LBPRGKRZSA-N 1 2 236.315 2.734 20 0 BFADLO COc1cc(C)c(NCc2[nH]cc(C)[nH+]2)cc1F ZINC000850250987 588531939 /nfs/dbraw/zinc/53/19/39/588531939.db2.gz ITPXLFUOIGBSQY-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO COc1cc(C)c(C)cc1NCc1cn(C)c[nH+]1 ZINC000850355161 588538491 /nfs/dbraw/zinc/53/84/91/588538491.db2.gz HDHZNRIUYAEDJX-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1ccc([C@H](C)[N@H+](C)Cc2cnon2)cc1 ZINC000851727177 588618611 /nfs/dbraw/zinc/61/86/11/588618611.db2.gz FSTXZLODBAELAT-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cnon2)cc1 ZINC000851727177 588618612 /nfs/dbraw/zinc/61/86/12/588618612.db2.gz FSTXZLODBAELAT-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)C[C@@H]1CCCCO1 ZINC000851734255 588619838 /nfs/dbraw/zinc/61/98/38/588619838.db2.gz PLVUPKPDBJGWHU-VIFPVBQESA-N 1 2 238.158 2.806 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)C[C@@H]1CCCCO1 ZINC000851734255 588619839 /nfs/dbraw/zinc/61/98/39/588619839.db2.gz PLVUPKPDBJGWHU-VIFPVBQESA-N 1 2 238.158 2.806 20 0 BFADLO C[C@H]1C[N@H+](CC=C(Cl)Cl)CC(C)(C)O1 ZINC000851736226 588620643 /nfs/dbraw/zinc/62/06/43/588620643.db2.gz HTUOPTNPBDNHAP-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@H]1C[N@@H+](CC=C(Cl)Cl)CC(C)(C)O1 ZINC000851736226 588620644 /nfs/dbraw/zinc/62/06/44/588620644.db2.gz HTUOPTNPBDNHAP-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO CCC[N@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851738771 588621044 /nfs/dbraw/zinc/62/10/44/588621044.db2.gz QXIIHANOOVFCCX-UHFFFAOYSA-N 1 2 249.289 2.621 20 0 BFADLO CCC[N@@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851738771 588621045 /nfs/dbraw/zinc/62/10/45/588621045.db2.gz QXIIHANOOVFCCX-UHFFFAOYSA-N 1 2 249.289 2.621 20 0 BFADLO CC[N@H+](CC=C(Cl)Cl)Cc1cnn(C)c1 ZINC000851744830 588621757 /nfs/dbraw/zinc/62/17/57/588621757.db2.gz PKNMPNCHPIIMPP-UHFFFAOYSA-N 1 2 248.157 2.561 20 0 BFADLO CC[N@@H+](CC=C(Cl)Cl)Cc1cnn(C)c1 ZINC000851744830 588621758 /nfs/dbraw/zinc/62/17/58/588621758.db2.gz PKNMPNCHPIIMPP-UHFFFAOYSA-N 1 2 248.157 2.561 20 0 BFADLO CC[C@H](C)[C@H](C)[NH2+]CC(F)(F)Br ZINC000851903495 588642058 /nfs/dbraw/zinc/64/20/58/588642058.db2.gz PGLAJHJZHXKPIU-BQBZGAKWSA-N 1 2 244.123 2.998 20 0 BFADLO CCC(CC)([NH2+]Cc1ccsc1)C(=O)OC ZINC000851932605 588645060 /nfs/dbraw/zinc/64/50/60/588645060.db2.gz IIGSLAWRNGSHJW-UHFFFAOYSA-N 1 2 241.356 2.570 20 0 BFADLO FC1(F)CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000852002904 588654448 /nfs/dbraw/zinc/65/44/48/588654448.db2.gz XWZJNRKLEMDGJT-UHFFFAOYSA-N 1 2 242.269 2.783 20 0 BFADLO CSc1ccc([C@H](C)[NH2+]Cc2cnon2)cc1 ZINC000852009916 588655100 /nfs/dbraw/zinc/65/51/00/588655100.db2.gz TZMBUKIEERWNFD-VIFPVBQESA-N 1 2 249.339 2.642 20 0 BFADLO C[C@H]([NH2+]Cc1cnon1)c1cccc(C2CC2)c1 ZINC000852097263 588662214 /nfs/dbraw/zinc/66/22/14/588662214.db2.gz TYQMKYUWMUGLNL-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO C[C@@H]([NH2+]Cc1cnon1)c1cccc(C2CC2)c1 ZINC000852097264 588662279 /nfs/dbraw/zinc/66/22/79/588662279.db2.gz TYQMKYUWMUGLNL-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO CCC1(CC)CCC[N@H+](Cc2cnsn2)C1 ZINC000852527080 588687892 /nfs/dbraw/zinc/68/78/92/588687892.db2.gz BLGBELQGRGKTIL-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO CCC1(CC)CCC[N@@H+](Cc2cnsn2)C1 ZINC000852527080 588687893 /nfs/dbraw/zinc/68/78/93/588687893.db2.gz BLGBELQGRGKTIL-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)CC1=CCSC1 ZINC000852747812 588699387 /nfs/dbraw/zinc/69/93/87/588699387.db2.gz YFDCAHYGNSWOCS-RUDMXATFSA-N 1 2 238.183 2.910 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)CC1=CCSC1 ZINC000852747812 588699388 /nfs/dbraw/zinc/69/93/88/588699388.db2.gz YFDCAHYGNSWOCS-RUDMXATFSA-N 1 2 238.183 2.910 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)CC1=CCSC1 ZINC000852747813 588699654 /nfs/dbraw/zinc/69/96/54/588699654.db2.gz YFDCAHYGNSWOCS-WTKPLQERSA-N 1 2 238.183 2.910 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)CC1=CCSC1 ZINC000852747813 588699655 /nfs/dbraw/zinc/69/96/55/588699655.db2.gz YFDCAHYGNSWOCS-WTKPLQERSA-N 1 2 238.183 2.910 20 0 BFADLO CCN(Cc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC000862305391 589200581 /nfs/dbraw/zinc/20/05/81/589200581.db2.gz ZIWAXRRCKDDRTL-UHFFFAOYSA-N 1 2 215.300 2.745 20 0 BFADLO Cc1c(F)nccc1C[N@H+](C)Cc1ccccn1 ZINC000862324345 589200867 /nfs/dbraw/zinc/20/08/67/589200867.db2.gz KHFATXMGSFGJGH-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1c(F)nccc1C[N@@H+](C)Cc1ccccn1 ZINC000862324345 589200868 /nfs/dbraw/zinc/20/08/68/589200868.db2.gz KHFATXMGSFGJGH-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2ccnc(F)c2)C1 ZINC000862399904 589209206 /nfs/dbraw/zinc/20/92/06/589209206.db2.gz GVYUDLKFYWTBAK-UHFFFAOYSA-N 1 2 244.260 2.698 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccoc2)C1 ZINC000862470931 589216353 /nfs/dbraw/zinc/21/63/53/589216353.db2.gz YPAYHQTZTPLUOI-UHFFFAOYSA-N 1 2 223.316 2.669 20 0 BFADLO Cc1cc(N)nc(SCSC(C)C)[nH+]1 ZINC000863267943 589275312 /nfs/dbraw/zinc/27/53/12/589275312.db2.gz XXSOVDLBVYLEJL-UHFFFAOYSA-N 1 2 229.374 2.558 20 0 BFADLO Cc1ccc(C(N)=[NH+]OC[C@H]2C[C@H]2C)cc1F ZINC000863453160 589288974 /nfs/dbraw/zinc/28/89/74/589288974.db2.gz GFIFGVUPFRCOTD-MWLCHTKSSA-N 1 2 236.290 2.637 20 0 BFADLO Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@@H]2C)cc1F ZINC000863453161 589289163 /nfs/dbraw/zinc/28/91/63/589289163.db2.gz GFIFGVUPFRCOTD-ONGXEEELSA-N 1 2 236.290 2.637 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCC1CC(C)(C)C1 ZINC000863468420 589290878 /nfs/dbraw/zinc/29/08/78/589290878.db2.gz YPFWNQZDFSPEDZ-UHFFFAOYSA-N 1 2 242.363 2.736 20 0 BFADLO COC1(C(N)=[NH+]OCCCCCF)CCCC1 ZINC000863478443 589291991 /nfs/dbraw/zinc/29/19/91/589291991.db2.gz PGXIIANUUXEXKH-UHFFFAOYSA-N 1 2 246.326 2.584 20 0 BFADLO CNc1ccc([NH2+]C[C@H]2CCCOC2)cc1 ZINC000863481390 589292467 /nfs/dbraw/zinc/29/24/67/589292467.db2.gz GHFHEIKSHYPRRW-LLVKDONJSA-N 1 2 220.316 2.567 20 0 BFADLO C[NH2+]c1ccc(NC[C@H]2CCCOC2)cc1 ZINC000863481390 589292468 /nfs/dbraw/zinc/29/24/68/589292468.db2.gz GHFHEIKSHYPRRW-LLVKDONJSA-N 1 2 220.316 2.567 20 0 BFADLO Clc1cnccc1-c1c[nH+]c2n1CCCC2 ZINC000863974414 589331109 /nfs/dbraw/zinc/33/11/09/589331109.db2.gz GRFPJSJDJOXUMU-UHFFFAOYSA-N 1 2 233.702 2.935 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccccn2)n1C ZINC000863974678 589331215 /nfs/dbraw/zinc/33/12/15/589331215.db2.gz MGEUKLZBJDFRSA-UHFFFAOYSA-N 1 2 201.273 2.606 20 0 BFADLO C[C@@H](O)c1cccc(N(C)C[C@H]2CC2(C)C)[nH+]1 ZINC000864089310 589342671 /nfs/dbraw/zinc/34/26/71/589342671.db2.gz POVYEPIPGBIQFW-GHMZBOCLSA-N 1 2 234.343 2.617 20 0 BFADLO C/C(=C/c1cn(C2CC2)c[nH+]1)c1cnccn1 ZINC000865222547 589414896 /nfs/dbraw/zinc/41/48/96/589414896.db2.gz XQRONFLNZQFKGT-POHAHGRESA-N 1 2 226.283 2.569 20 0 BFADLO CC(C)(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865374307 589427896 /nfs/dbraw/zinc/42/78/96/589427896.db2.gz BEPOXVBIMOEBKX-UHFFFAOYSA-N 1 2 222.332 2.796 20 0 BFADLO COc1cccc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375774 589428120 /nfs/dbraw/zinc/42/81/20/589428120.db2.gz NOWBIKJYZJHFFV-UHFFFAOYSA-N 1 2 245.326 2.633 20 0 BFADLO CC(C)(C)c1cn(C[C@@H]2CC(C)(C)CO2)c[nH+]1 ZINC000865376432 589428360 /nfs/dbraw/zinc/42/83/60/589428360.db2.gz NDZUABRTYGCEMI-NSHDSACASA-N 1 2 236.359 2.996 20 0 BFADLO CCOCCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375729 589428405 /nfs/dbraw/zinc/42/84/05/589428405.db2.gz LYQDQKQVLQYVGT-UHFFFAOYSA-N 1 2 210.321 2.607 20 0 BFADLO CC(C)(C)c1cn(CC(=O)C2(C)CC2)c[nH+]1 ZINC000865376292 589428567 /nfs/dbraw/zinc/42/85/67/589428567.db2.gz HXNDTGDYNAENTC-UHFFFAOYSA-N 1 2 220.316 2.550 20 0 BFADLO CCc1csc(SCc2c[nH+]cn2C)n1 ZINC000865386841 589430432 /nfs/dbraw/zinc/43/04/32/589430432.db2.gz LDXGEYJUVSIJRJ-UHFFFAOYSA-N 1 2 239.369 2.731 20 0 BFADLO COc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000865422401 589434890 /nfs/dbraw/zinc/43/48/90/589434890.db2.gz NUHLACCNEKDFSS-UHFFFAOYSA-N 1 2 243.310 2.839 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)c(C)c2)on1 ZINC000865498331 589441647 /nfs/dbraw/zinc/44/16/47/589441647.db2.gz FOKKWNAMKKCOQO-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO CC(C)Cc1cc(NC[C@]2(C)CCOC2)nc[nH+]1 ZINC000865537245 589444020 /nfs/dbraw/zinc/44/40/20/589444020.db2.gz DWVQTMXXDAGCFN-AWEZNQCLSA-N 1 2 249.358 2.514 20 0 BFADLO CC(C)Cc1cc(N[C@@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000865560708 589446893 /nfs/dbraw/zinc/44/68/93/589446893.db2.gz NOQCKROFNBTVCE-NWDGAFQWSA-N 1 2 249.358 2.512 20 0 BFADLO C[C@@H]1CCCN1c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865572070 589447984 /nfs/dbraw/zinc/44/79/84/589447984.db2.gz UVMJJDZDKOJEKY-SSDOTTSWSA-N 1 2 236.706 2.552 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@H]1CCOC1 ZINC000865636940 589453470 /nfs/dbraw/zinc/45/34/70/589453470.db2.gz SIQXVTAFSOOGGR-VIFPVBQESA-N 1 2 246.232 2.610 20 0 BFADLO CCCNc1cc(N[C@H](C)c2ccc[nH]2)nc[nH+]1 ZINC000865647688 589454023 /nfs/dbraw/zinc/45/40/23/589454023.db2.gz HBSJZOFDUPHUOF-SNVBAGLBSA-N 1 2 245.330 2.800 20 0 BFADLO CCCNc1cc(N[C@H](C)c2ccc[nH]2)[nH+]cn1 ZINC000865647688 589454025 /nfs/dbraw/zinc/45/40/25/589454025.db2.gz HBSJZOFDUPHUOF-SNVBAGLBSA-N 1 2 245.330 2.800 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H](C)c2ccc[nH]2)[nH+]c1 ZINC000865648075 589454032 /nfs/dbraw/zinc/45/40/32/589454032.db2.gz SFQYWVJCXQEXOA-UWVGGRQHSA-N 1 2 231.299 2.636 20 0 BFADLO C[C@@H](O)c1ccc(N[C@H](C)c2ccc[nH]2)[nH+]c1 ZINC000865648074 589454360 /nfs/dbraw/zinc/45/43/60/589454360.db2.gz SFQYWVJCXQEXOA-NXEZZACHSA-N 1 2 231.299 2.636 20 0 BFADLO CC(C)Cc1cc(NCCc2ccc[nH]2)nc[nH+]1 ZINC000865657600 589454520 /nfs/dbraw/zinc/45/45/20/589454520.db2.gz YYCRMKULOYEHBJ-UHFFFAOYSA-N 1 2 244.342 2.658 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000865654193 589454747 /nfs/dbraw/zinc/45/47/47/589454747.db2.gz LMEYSQQVAJBTPD-NEPJUHHUSA-N 1 2 249.358 2.655 20 0 BFADLO CO[C@@H](C)CNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865714487 589458084 /nfs/dbraw/zinc/45/80/84/589458084.db2.gz QUQSAOPMDWWOGW-QMMMGPOBSA-N 1 2 248.248 2.856 20 0 BFADLO COCc1cc([NH2+]CC2CC2)ccc1OC ZINC000865751575 589460791 /nfs/dbraw/zinc/46/07/91/589460791.db2.gz QNAKIMKULLOIPO-UHFFFAOYSA-N 1 2 221.300 2.664 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2cocn2)o1 ZINC000865814774 589463034 /nfs/dbraw/zinc/46/30/34/589463034.db2.gz JWTMCUAOENAXCT-UHFFFAOYSA-N 1 2 234.299 2.855 20 0 BFADLO C[C@@H](F)CCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865834012 589463777 /nfs/dbraw/zinc/46/37/77/589463777.db2.gz OENBRDXJXAYOKL-ZCFIWIBFSA-N 1 2 242.685 2.771 20 0 BFADLO C[C@H](O)c1ccc(N2CC[C@H](C3CCC3)C2)[nH+]c1 ZINC000865880914 589466913 /nfs/dbraw/zinc/46/69/13/589466913.db2.gz RWHLUSRYVDZMNN-FZMZJTMJSA-N 1 2 246.354 2.761 20 0 BFADLO COCC1(CNc2cc(CC(C)C)[nH+]cn2)CC1 ZINC000865915665 589468586 /nfs/dbraw/zinc/46/85/86/589468586.db2.gz HBIHGMCSJCLJFG-UHFFFAOYSA-N 1 2 249.358 2.514 20 0 BFADLO c1cc(NCC[C@@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000865986280 589471291 /nfs/dbraw/zinc/47/12/91/589471291.db2.gz VOKZWDUNWQKVAN-SNVBAGLBSA-N 1 2 249.383 2.909 20 0 BFADLO CCC[C@H](CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000866002881 589472344 /nfs/dbraw/zinc/47/23/44/589472344.db2.gz KDMQMUGVAWVROH-LLVKDONJSA-N 1 2 237.347 2.563 20 0 BFADLO CCc1cc(N[C@@H]2CCCC[C@@H]2F)nc[nH+]1 ZINC000866044829 589473804 /nfs/dbraw/zinc/47/38/04/589473804.db2.gz CPSWITBDRQGRHD-WDEREUQCSA-N 1 2 223.295 2.732 20 0 BFADLO Cc1cc(C[NH2+]Cc2ncc(C)s2)c(C)o1 ZINC000121019950 589487066 /nfs/dbraw/zinc/48/70/66/589487066.db2.gz GTCAAWVNJNWMGR-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO CC(C)(F)C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866408964 589491209 /nfs/dbraw/zinc/49/12/09/589491209.db2.gz GIOTWWHEHLFHDL-PWSUYJOCSA-N 1 2 241.281 2.796 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1[nH]cc[nH+]1 ZINC000867457970 589520738 /nfs/dbraw/zinc/52/07/38/589520738.db2.gz JMTSAOQAFLJPBK-GMTAPVOTSA-N 1 2 249.358 2.659 20 0 BFADLO CCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000121786990 589532037 /nfs/dbraw/zinc/53/20/37/589532037.db2.gz PGMVCHGLHYNIOB-CYBMUJFWSA-N 1 2 235.327 2.633 20 0 BFADLO CCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000121786990 589532038 /nfs/dbraw/zinc/53/20/38/589532038.db2.gz PGMVCHGLHYNIOB-CYBMUJFWSA-N 1 2 235.327 2.633 20 0 BFADLO Cc1noc(COc2ccc([NH2+]C(C)C)cc2)n1 ZINC000121841879 589535675 /nfs/dbraw/zinc/53/56/75/589535675.db2.gz BIILPWQEBDCBEJ-UHFFFAOYSA-N 1 2 247.298 2.777 20 0 BFADLO CSc1nccn1-c1ccc([NH+](C)C)cc1 ZINC000122125736 589556477 /nfs/dbraw/zinc/55/64/77/589556477.db2.gz BTLZREPCVQPGIC-UHFFFAOYSA-N 1 2 233.340 2.660 20 0 BFADLO C/C=C/C=C/C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122286439 589576488 /nfs/dbraw/zinc/57/64/88/589576488.db2.gz YWEOUDYVRJFTPZ-YTXTXJHMSA-N 1 2 247.294 2.574 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(Cl)nc1 ZINC000122822296 589634885 /nfs/dbraw/zinc/63/48/85/589634885.db2.gz KQDNXKZZWFTWGU-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)C2=CCCC2)c1 ZINC000123032299 589653402 /nfs/dbraw/zinc/65/34/02/589653402.db2.gz MEMOVYVDZONXFA-UHFFFAOYSA-N 1 2 247.294 2.552 20 0 BFADLO Cc1cc(C[NH2+]Cc2ncccc2F)c(C)o1 ZINC000123360118 589691096 /nfs/dbraw/zinc/69/10/96/589691096.db2.gz BWGGHEVRLZTUSU-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO NC(COC1CCC1)=[NH+]OCC1CCCCC1 ZINC000871775314 589813952 /nfs/dbraw/zinc/81/39/52/589813952.db2.gz LGKDFPMYJANFFO-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000872135866 589879094 /nfs/dbraw/zinc/87/90/94/589879094.db2.gz ISEHCUDFLDMMCI-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO FCCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000872647229 589958859 /nfs/dbraw/zinc/95/88/59/589958859.db2.gz DFHLMPOZFZIRAF-UHFFFAOYSA-N 1 2 245.729 2.566 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000872686578 589961390 /nfs/dbraw/zinc/96/13/90/589961390.db2.gz GOSTZOLWMVDCFZ-NSHDSACASA-N 1 2 249.358 2.827 20 0 BFADLO CC1(C)CO[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000872687245 589961969 /nfs/dbraw/zinc/96/19/69/589961969.db2.gz YYHMKHYDRFWJAQ-LLVKDONJSA-N 1 2 247.342 2.581 20 0 BFADLO c1cc(N[C@@H]2CC23CCC3)nc(C2CC2)[nH+]1 ZINC000872775395 589968416 /nfs/dbraw/zinc/96/84/16/589968416.db2.gz TXXQENQTYIJHAJ-SNVBAGLBSA-N 1 2 215.300 2.709 20 0 BFADLO CCc1nc(Nc2cnn(CC)c2C)cc(C)[nH+]1 ZINC000872777423 589969185 /nfs/dbraw/zinc/96/91/85/589969185.db2.gz AGOFBHIDSRATEE-UHFFFAOYSA-N 1 2 245.330 2.616 20 0 BFADLO C[C@@H](O)c1ccc(N2CCCC[C@@H]2C)[nH+]c1 ZINC000124894224 590097879 /nfs/dbraw/zinc/09/78/79/590097879.db2.gz VEPBAOKESOVFNU-WDEREUQCSA-N 1 2 220.316 2.514 20 0 BFADLO CCCCN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124898362 590097960 /nfs/dbraw/zinc/09/79/60/590097960.db2.gz ZAFFOWXKXCWKNF-LLVKDONJSA-N 1 2 222.332 2.761 20 0 BFADLO CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124916785 590098112 /nfs/dbraw/zinc/09/81/12/590098112.db2.gz CRGXUWHBFHXLOU-GHMZBOCLSA-N 1 2 222.332 2.616 20 0 BFADLO COc1ccc([NH2+]CC(C)(C)C)cc1CO ZINC000124919744 590099001 /nfs/dbraw/zinc/09/90/01/590099001.db2.gz JGWDOWQLIZSWNO-UHFFFAOYSA-N 1 2 223.316 2.646 20 0 BFADLO CC(C)CCN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124926712 590102006 /nfs/dbraw/zinc/10/20/06/590102006.db2.gz GJCJMVFORAQSBG-NSHDSACASA-N 1 2 222.332 2.617 20 0 BFADLO CC[N@H+](C)Cc1nccc(C)c1Br ZINC000876562579 590216493 /nfs/dbraw/zinc/21/64/93/590216493.db2.gz ZSRJAPHZFCXDSG-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO CC[N@@H+](C)Cc1nccc(C)c1Br ZINC000876562579 590216495 /nfs/dbraw/zinc/21/64/95/590216495.db2.gz ZSRJAPHZFCXDSG-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO C[N@H+](Cc1c(Cl)cncc1Cl)C1CC1 ZINC000876580296 590218971 /nfs/dbraw/zinc/21/89/71/590218971.db2.gz HZGQZTXRNIWKRN-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1c(Cl)cncc1Cl)C1CC1 ZINC000876580296 590218972 /nfs/dbraw/zinc/21/89/72/590218972.db2.gz HZGQZTXRNIWKRN-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO COC[C@H](Nc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000126118428 590231121 /nfs/dbraw/zinc/23/11/21/590231121.db2.gz RDWLFQCMNYVGDU-HNNXBMFYSA-N 1 2 248.370 2.898 20 0 BFADLO CO[C@H](CNc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000876818757 590246094 /nfs/dbraw/zinc/24/60/94/590246094.db2.gz YYFJAGCYXVKZRR-OAHLLOKOSA-N 1 2 248.370 2.898 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1CO ZINC000876850149 590249238 /nfs/dbraw/zinc/24/92/38/590249238.db2.gz JAZXUZAMHSENRU-ZSBIGDGJSA-N 1 2 247.338 2.646 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(Cl)cs1 ZINC000877488152 590338384 /nfs/dbraw/zinc/33/83/84/590338384.db2.gz YPOWZOSFEGHVLD-RNFRBKRXSA-N 1 2 216.737 2.779 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CC([C@H]2CCC[C@@H](C)C2)C1 ZINC000877763524 590419511 /nfs/dbraw/zinc/41/95/11/590419511.db2.gz AXLWQIQPMOQTTP-YPMHNXCESA-N 1 2 247.386 2.976 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1cccs1 ZINC000877932532 590450941 /nfs/dbraw/zinc/45/09/41/590450941.db2.gz SURNMKIXMGBTGA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1cccs1 ZINC000877932532 590450944 /nfs/dbraw/zinc/45/09/44/590450944.db2.gz SURNMKIXMGBTGA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CC[N@H+](Cc1scnc1Cl)C1CC1 ZINC000877954259 590456627 /nfs/dbraw/zinc/45/66/27/590456627.db2.gz HXEBDLRGXBWVOK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CC[N@@H+](Cc1scnc1Cl)C1CC1 ZINC000877954259 590456628 /nfs/dbraw/zinc/45/66/28/590456628.db2.gz HXEBDLRGXBWVOK-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO Cc1conc1C[N@@H+](Cc1ccco1)C(C)C ZINC000878001863 590469822 /nfs/dbraw/zinc/46/98/22/590469822.db2.gz FTLLVHNOAYODDS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1conc1C[N@H+](Cc1ccco1)C(C)C ZINC000878001863 590469824 /nfs/dbraw/zinc/46/98/24/590469824.db2.gz FTLLVHNOAYODDS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO CC[N@H+](C)Cc1nc(C)c(Br)s1 ZINC000878032800 590476136 /nfs/dbraw/zinc/47/61/36/590476136.db2.gz KDBOBMXUXUBLSL-UHFFFAOYSA-N 1 2 249.177 2.666 20 0 BFADLO CC[N@@H+](C)Cc1nc(C)c(Br)s1 ZINC000878032800 590476139 /nfs/dbraw/zinc/47/61/39/590476139.db2.gz KDBOBMXUXUBLSL-UHFFFAOYSA-N 1 2 249.177 2.666 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC2(CCC2)CO1 ZINC000878032989 590476277 /nfs/dbraw/zinc/47/62/77/590476277.db2.gz QWLSIKIJBPAAOD-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC2(CCC2)CO1 ZINC000878032989 590476279 /nfs/dbraw/zinc/47/62/79/590476279.db2.gz QWLSIKIJBPAAOD-LLVKDONJSA-N 1 2 247.329 2.923 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1CC(C)(C)OC1(C)C ZINC000878052604 590483813 /nfs/dbraw/zinc/48/38/13/590483813.db2.gz VHYYUGBGUZRTJC-SECBINFHSA-N 1 2 235.318 2.777 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1CC(C)(C)OC1(C)C ZINC000878052604 590483815 /nfs/dbraw/zinc/48/38/15/590483815.db2.gz VHYYUGBGUZRTJC-SECBINFHSA-N 1 2 235.318 2.777 20 0 BFADLO FC(F)C[N@H+](CCCC1CC1)C1CC1 ZINC000878082658 590488830 /nfs/dbraw/zinc/48/88/30/590488830.db2.gz DRVFLTNXPMWOTJ-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)C[N@@H+](CCCC1CC1)C1CC1 ZINC000878082658 590488833 /nfs/dbraw/zinc/48/88/33/590488833.db2.gz DRVFLTNXPMWOTJ-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000126898691 590492528 /nfs/dbraw/zinc/49/25/28/590492528.db2.gz SOXIUCFBFLLQHR-AWEZNQCLSA-N 1 2 245.301 2.634 20 0 BFADLO c1cn(CC(Cn2cc[nH+]c2)C2CCCC2)cn1 ZINC000878206817 590524361 /nfs/dbraw/zinc/52/43/61/590524361.db2.gz BWSPOHUZWNOQSC-UHFFFAOYSA-N 1 2 244.342 2.586 20 0 BFADLO c1cn(C[C@H]2CC[C@@H](c3ccccc3)O2)c[nH+]1 ZINC000878207556 590524371 /nfs/dbraw/zinc/52/43/71/590524371.db2.gz KPWXEPLCOPWAEF-KGLIPLIRSA-N 1 2 228.295 2.803 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](OC)C1)c1ccccc1 ZINC000878214242 590524738 /nfs/dbraw/zinc/52/47/38/590524738.db2.gz UEHGCJINIJNQIK-XBXGTLAGSA-N 1 2 219.328 2.938 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)c1ccccc1 ZINC000878214242 590524740 /nfs/dbraw/zinc/52/47/40/590524740.db2.gz UEHGCJINIJNQIK-XBXGTLAGSA-N 1 2 219.328 2.938 20 0 BFADLO Cc1conc1C[NH2+][C@H](C)c1cnccc1C ZINC000878403874 590560989 /nfs/dbraw/zinc/56/09/89/590560989.db2.gz VMHFXDGXIYQZNP-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO CC(=O)C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000878418452 590563492 /nfs/dbraw/zinc/56/34/92/590563492.db2.gz YNSMRCOEPZZAGS-SECBINFHSA-N 1 2 234.324 2.536 20 0 BFADLO Cc1conc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000878417445 590563649 /nfs/dbraw/zinc/56/36/49/590563649.db2.gz AYPCTYGZKTUOJY-NSHDSACASA-N 1 2 248.330 2.611 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)nc1Cl ZINC000878661624 590604857 /nfs/dbraw/zinc/60/48/57/590604857.db2.gz FUMTVZPLSPVXNM-VIFPVBQESA-N 1 2 228.698 2.587 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)nc1Cl ZINC000878661624 590604859 /nfs/dbraw/zinc/60/48/59/590604859.db2.gz FUMTVZPLSPVXNM-VIFPVBQESA-N 1 2 228.698 2.587 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000878776843 590620875 /nfs/dbraw/zinc/62/08/75/590620875.db2.gz RGZDZGWKTAEUBK-FZMZJTMJSA-N 1 2 249.358 2.585 20 0 BFADLO ClC(Cl)=CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876870 590637248 /nfs/dbraw/zinc/63/72/48/590637248.db2.gz WKWFEJQRHWTKIO-SECBINFHSA-N 1 2 246.141 2.866 20 0 BFADLO ClC(Cl)=CC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876870 590637253 /nfs/dbraw/zinc/63/72/53/590637253.db2.gz WKWFEJQRHWTKIO-SECBINFHSA-N 1 2 246.141 2.866 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000879057570 590688652 /nfs/dbraw/zinc/68/86/52/590688652.db2.gz PKKVXCXCENGTBY-RISCZKNCSA-N 1 2 249.358 2.551 20 0 BFADLO CCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000127563038 590711853 /nfs/dbraw/zinc/71/18/53/590711853.db2.gz FZIRBQKPEMKMKO-UHFFFAOYSA-N 1 2 236.146 2.569 20 0 BFADLO CCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000127563038 590711859 /nfs/dbraw/zinc/71/18/59/590711859.db2.gz FZIRBQKPEMKMKO-UHFFFAOYSA-N 1 2 236.146 2.569 20 0 BFADLO CCC(F)(F)C[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879327874 590747258 /nfs/dbraw/zinc/74/72/58/590747258.db2.gz ZSRQUEKUGUZOSO-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879327874 590747260 /nfs/dbraw/zinc/74/72/60/590747260.db2.gz ZSRQUEKUGUZOSO-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879327873 590747653 /nfs/dbraw/zinc/74/76/53/590747653.db2.gz ZSRQUEKUGUZOSO-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879327873 590747657 /nfs/dbraw/zinc/74/76/57/590747657.db2.gz ZSRQUEKUGUZOSO-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879327872 590748328 /nfs/dbraw/zinc/74/83/28/590748328.db2.gz ZSRQUEKUGUZOSO-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879327872 590748330 /nfs/dbraw/zinc/74/83/30/590748330.db2.gz ZSRQUEKUGUZOSO-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO COC(=O)CCC[N@H+](C)c1cccc2cc[nH]c21 ZINC000879343001 590750983 /nfs/dbraw/zinc/75/09/83/590750983.db2.gz INOAKIUPOLIKLK-UHFFFAOYSA-N 1 2 246.310 2.557 20 0 BFADLO COC(=O)CCC[N@@H+](C)c1cccc2cc[nH]c21 ZINC000879343001 590750986 /nfs/dbraw/zinc/75/09/86/590750986.db2.gz INOAKIUPOLIKLK-UHFFFAOYSA-N 1 2 246.310 2.557 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529350 590791590 /nfs/dbraw/zinc/79/15/90/590791590.db2.gz WMLBPAFLBGBVPD-DTORHVGOSA-N 1 2 237.240 2.785 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529350 590791592 /nfs/dbraw/zinc/79/15/92/590791592.db2.gz WMLBPAFLBGBVPD-DTORHVGOSA-N 1 2 237.240 2.785 20 0 BFADLO CCON(CC)Cc1c(C)cc(C)[nH+]c1C ZINC000879798556 590875725 /nfs/dbraw/zinc/87/57/25/590875725.db2.gz XHHJXIJIUNVUJD-UHFFFAOYSA-N 1 2 222.332 2.780 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H](CF)C1 ZINC000880238150 590961991 /nfs/dbraw/zinc/96/19/91/590961991.db2.gz QCCBJUIRLFHLSE-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H](CF)C1 ZINC000880238150 590961993 /nfs/dbraw/zinc/96/19/93/590961993.db2.gz QCCBJUIRLFHLSE-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO FC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000880240319 590973705 /nfs/dbraw/zinc/97/37/05/590973705.db2.gz UYLPKYIMMQJNDB-UHFFFAOYSA-N 1 2 240.347 2.954 20 0 BFADLO Cc1coc(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000880241248 590975861 /nfs/dbraw/zinc/97/58/61/590975861.db2.gz TYUJNNFIWOBNDX-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO c1ccc(C[NH2+]C2(c3ncccn3)CCC2)cc1 ZINC000880363762 591010369 /nfs/dbraw/zinc/01/03/69/591010369.db2.gz GIWCIMXXNPPLDG-UHFFFAOYSA-N 1 2 239.322 2.646 20 0 BFADLO Cc1nonc1C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880375947 591015518 /nfs/dbraw/zinc/01/55/18/591015518.db2.gz ADPPWSVDGGVVSO-VIFPVBQESA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nonc1C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880375947 591015521 /nfs/dbraw/zinc/01/55/21/591015521.db2.gz ADPPWSVDGGVVSO-VIFPVBQESA-N 1 2 249.339 2.559 20 0 BFADLO C[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C(F)F ZINC000880533234 591085825 /nfs/dbraw/zinc/08/58/25/591085825.db2.gz BFJKVCHUZPIKSP-XCBNKYQSSA-N 1 2 249.688 2.617 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000880657107 591120462 /nfs/dbraw/zinc/12/04/62/591120462.db2.gz QMBAZEDHQBFMMH-FZMZJTMJSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000880657107 591120464 /nfs/dbraw/zinc/12/04/64/591120464.db2.gz QMBAZEDHQBFMMH-FZMZJTMJSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CC2(Cl)Cl)c1C ZINC000881769765 591270643 /nfs/dbraw/zinc/27/06/43/591270643.db2.gz SURVKFCPYWTTLM-QMMMGPOBSA-N 1 2 246.141 2.699 20 0 BFADLO CC[C@@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881802116 591271674 /nfs/dbraw/zinc/27/16/74/591271674.db2.gz VMYDTTHRFVFAAY-GFCCVEGCSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCC[C@@H]2C)c1C ZINC000881923457 591278535 /nfs/dbraw/zinc/27/85/35/591278535.db2.gz KQEDWAJLPNWRCP-GZMMTYOYSA-N 1 2 205.305 2.694 20 0 BFADLO C[C@H](O)CCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882279299 591325522 /nfs/dbraw/zinc/32/55/22/591325522.db2.gz ZNXPFFCMVFHEOF-JTQLQIEISA-N 1 2 248.301 2.947 20 0 BFADLO OCCCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882280816 591325954 /nfs/dbraw/zinc/32/59/54/591325954.db2.gz KXMFICWAIWDALO-UHFFFAOYSA-N 1 2 248.301 2.948 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCCC2(F)F)c1C ZINC000882311159 591328186 /nfs/dbraw/zinc/32/81/86/591328186.db2.gz FVRHFEIIXCGGMM-SECBINFHSA-N 1 2 227.258 2.693 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@H](C3CC3)C2)c1C ZINC000882378691 591339902 /nfs/dbraw/zinc/33/99/02/591339902.db2.gz FFKAUTWQUISYGZ-ZDUSSCGKSA-N 1 2 231.343 2.720 20 0 BFADLO CCC(C)(C)OCCNc1nc[nH+]c(C)c1C ZINC000882439097 591348858 /nfs/dbraw/zinc/34/88/58/591348858.db2.gz JWVQNRNRKZWBGD-UHFFFAOYSA-N 1 2 237.347 2.711 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@]2(CC2(F)F)C1 ZINC000882532257 591383135 /nfs/dbraw/zinc/38/31/35/591383135.db2.gz YYIKRBIGKYTVDH-NSHDSACASA-N 1 2 242.244 2.846 20 0 BFADLO CO[C@@H](CNc1nc[nH+]c(C)c1C)C1CCCC1 ZINC000882632677 591405163 /nfs/dbraw/zinc/40/51/63/591405163.db2.gz XFMGXXIVFHXGOC-ZDUSSCGKSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CC2(F)F)c1C ZINC000882646076 591407210 /nfs/dbraw/zinc/40/72/10/591407210.db2.gz YTDMBMQRYDUNNA-VIFPVBQESA-N 1 2 227.258 2.551 20 0 BFADLO COCC(C)(C)CCNc1nc[nH+]c(C)c1C ZINC000882715283 591419961 /nfs/dbraw/zinc/41/99/61/591419961.db2.gz UYGGWEBIOSEKHA-UHFFFAOYSA-N 1 2 237.347 2.568 20 0 BFADLO CC(C)(CNc1cc(CO)cc[nH+]1)CC(F)F ZINC000882780235 591437106 /nfs/dbraw/zinc/43/71/06/591437106.db2.gz XEAODRQGPVHWEX-UHFFFAOYSA-N 1 2 244.285 2.667 20 0 BFADLO CO[C@H]1C[C@H](CNc2[nH+]ccc(C)c2Cl)C1 ZINC000882797602 591441513 /nfs/dbraw/zinc/44/15/13/591441513.db2.gz IMBHZGTYPACVQP-MGCOHNPYSA-N 1 2 240.734 2.880 20 0 BFADLO Cc1cc(N2CCC(F)CC2)nc(C2CC2)[nH+]1 ZINC000882807141 591446161 /nfs/dbraw/zinc/44/61/61/591446161.db2.gz IQLZFSVWOJKVED-UHFFFAOYSA-N 1 2 235.306 2.601 20 0 BFADLO CC[C@@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000213223328 591455733 /nfs/dbraw/zinc/45/57/33/591455733.db2.gz PQZSAPPANHBPQD-NWDGAFQWSA-N 1 2 234.343 2.761 20 0 BFADLO C[C@@H](O)c1ccc(N(C)C2CCCCC2)[nH+]c1 ZINC000213237168 591456056 /nfs/dbraw/zinc/45/60/56/591456056.db2.gz NGOXMIOWCDIXNQ-LLVKDONJSA-N 1 2 234.343 2.904 20 0 BFADLO C[C@@H](O)c1ccc(N2CCC(C)(C)CC2)[nH+]c1 ZINC000213276177 591458589 /nfs/dbraw/zinc/45/85/89/591458589.db2.gz ZDQSIPFZHJCNKL-LLVKDONJSA-N 1 2 234.343 2.761 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1c(C)cccc1C ZINC000130399406 591462618 /nfs/dbraw/zinc/46/26/18/591462618.db2.gz ICWMVXLFVKNVPC-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO CC(C)c1c[nH]c(CN[C@@H](C)C(F)(F)F)[nH+]1 ZINC000883120922 591542289 /nfs/dbraw/zinc/54/22/89/591542289.db2.gz RDZFEXSUKWYZKQ-ZETCQYMHSA-N 1 2 235.253 2.574 20 0 BFADLO Fc1c(Cl)cccc1C[NH2+]Cc1ccon1 ZINC000131143350 591559364 /nfs/dbraw/zinc/55/93/64/591559364.db2.gz RRDZAUJHUTXLMT-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccco2)c(Cl)n1 ZINC000883291726 591608315 /nfs/dbraw/zinc/60/83/15/591608315.db2.gz PZWKCZVTALWMJU-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccco1 ZINC000883313910 591612825 /nfs/dbraw/zinc/61/28/25/591612825.db2.gz POIPTASRLQSWEF-LLVKDONJSA-N 1 2 243.310 2.800 20 0 BFADLO Cc1cc(N[C@H](C)c2cnccn2)c[nH+]c1C ZINC000883340906 591620287 /nfs/dbraw/zinc/62/02/87/591620287.db2.gz CERBOCILSSNHBI-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO Cc1cc(NC[C@@H]2CCCOC2)c[nH+]c1C ZINC000883341434 591620308 /nfs/dbraw/zinc/62/03/08/591620308.db2.gz PWLZDFFVRCSRCP-LBPRGKRZSA-N 1 2 220.316 2.537 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)c[nH+]c1C ZINC000883341298 591620424 /nfs/dbraw/zinc/62/04/24/591620424.db2.gz MRNWPFXUSWJVTR-UFGOTCBOSA-N 1 2 220.316 2.676 20 0 BFADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)c1cnn(C)c1 ZINC000883342381 591621302 /nfs/dbraw/zinc/62/13/02/591621302.db2.gz UXEJENIHEHQONS-AWEZNQCLSA-N 1 2 244.342 2.995 20 0 BFADLO CCOC[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342221 591621885 /nfs/dbraw/zinc/62/18/85/591621885.db2.gz OYWXDKYHCOCUCL-SNVBAGLBSA-N 1 2 208.305 2.535 20 0 BFADLO Cc1cc(NCc2cccn2C)c[nH+]c1C ZINC000883342384 591622228 /nfs/dbraw/zinc/62/22/28/591622228.db2.gz VDWYONSXUGFFPA-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1cc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)nn1C ZINC000883342618 591622351 /nfs/dbraw/zinc/62/23/51/591622351.db2.gz GEWFZXBHVCDFOC-GFCCVEGCSA-N 1 2 244.342 2.913 20 0 BFADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000883381527 591637971 /nfs/dbraw/zinc/63/79/71/591637971.db2.gz OREFTGXYQMQCQB-UONOGXRCSA-N 1 2 245.301 2.525 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(F)F ZINC000883400080 591647446 /nfs/dbraw/zinc/64/74/46/591647446.db2.gz CWNFHWCEJWCMCA-XPUUQOCRSA-N 1 2 246.688 2.966 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2c1CCOC2)C(F)F ZINC000883407766 591651017 /nfs/dbraw/zinc/65/10/17/591651017.db2.gz FGZWSTAJHVIHHW-VIFPVBQESA-N 1 2 241.281 2.503 20 0 BFADLO Cc1ccc2[nH+]c(NC[C@H]3CCCOC3)[nH]c2c1 ZINC000883408461 591651061 /nfs/dbraw/zinc/65/10/61/591651061.db2.gz XOOLKQVWGBKEHF-LLVKDONJSA-N 1 2 245.326 2.710 20 0 BFADLO COCC[N@H+](C/C=C/Cl)Cc1ccc(C)o1 ZINC000132724349 591733674 /nfs/dbraw/zinc/73/36/74/591733674.db2.gz JVGMXCATFXQJFL-ZZXKWVIFSA-N 1 2 243.734 2.789 20 0 BFADLO COCC[N@@H+](C/C=C/Cl)Cc1ccc(C)o1 ZINC000132724349 591733678 /nfs/dbraw/zinc/73/36/78/591733678.db2.gz JVGMXCATFXQJFL-ZZXKWVIFSA-N 1 2 243.734 2.789 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](C/C=C/Cl)CC2 ZINC000133932802 591870897 /nfs/dbraw/zinc/87/08/97/591870897.db2.gz ONRDMKWVZVSMFY-ORCRQEGFSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](C/C=C/Cl)CC2 ZINC000133932802 591870901 /nfs/dbraw/zinc/87/09/01/591870901.db2.gz ONRDMKWVZVSMFY-ORCRQEGFSA-N 1 2 225.694 2.936 20 0 BFADLO CCc1nc(N2CC3(CCC3)C[C@@H]2C)cc[nH+]1 ZINC000884486830 591953991 /nfs/dbraw/zinc/95/39/91/591953991.db2.gz GXVOYEQKMASBAV-NSHDSACASA-N 1 2 231.343 2.808 20 0 BFADLO CCc1nc(NC[C@@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000884495201 591955995 /nfs/dbraw/zinc/95/59/95/591955995.db2.gz OAMSLOAGMMVHOC-SECBINFHSA-N 1 2 241.285 2.886 20 0 BFADLO CCc1nc(N[C@@H](C)c2cncc(F)c2)cc[nH+]1 ZINC000884527518 591966866 /nfs/dbraw/zinc/96/68/66/591966866.db2.gz SWAVGKBEWMRDKX-VIFPVBQESA-N 1 2 246.289 2.746 20 0 BFADLO CCc1nc(N[C@@H]2CCCC[C@H]2F)cc[nH+]1 ZINC000884530534 591968604 /nfs/dbraw/zinc/96/86/04/591968604.db2.gz NPCDSWJPLFAJMA-NXEZZACHSA-N 1 2 223.295 2.732 20 0 BFADLO CCc1nc(NC2(C)CC=CC2)cc[nH+]1 ZINC000884547682 591974952 /nfs/dbraw/zinc/97/49/52/591974952.db2.gz RIXQCFLRQXWYJT-UHFFFAOYSA-N 1 2 203.289 2.560 20 0 BFADLO CCc1nc(N[C@@H](C)c2cscn2)cc[nH+]1 ZINC000884555445 591977021 /nfs/dbraw/zinc/97/70/21/591977021.db2.gz RLIPPNWBMXWHMI-QMMMGPOBSA-N 1 2 234.328 2.669 20 0 BFADLO CCc1nc(N[C@@H](CC)COCC2CC2)cc[nH+]1 ZINC000884552907 591977042 /nfs/dbraw/zinc/97/70/42/591977042.db2.gz LRJWUTQSDPUMIE-LBPRGKRZSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(NCCCOC(C)(C)C)cc[nH+]1 ZINC000884556105 591978552 /nfs/dbraw/zinc/97/85/52/591978552.db2.gz IZVOWNAVUPHKQG-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1nc(NCCCc2ccco2)cc[nH+]1 ZINC000884560533 591979165 /nfs/dbraw/zinc/97/91/65/591979165.db2.gz ZZRNWXVMSNXRPZ-UHFFFAOYSA-N 1 2 231.299 2.677 20 0 BFADLO CCC[C@@H](CNc1cc[nH+]c(CC)n1)OCC ZINC000884563166 591981180 /nfs/dbraw/zinc/98/11/80/591981180.db2.gz XZQGUZXQMKYEKZ-NSHDSACASA-N 1 2 237.347 2.656 20 0 BFADLO CCc1nc(N[C@H]2CCCC23CC3)cc[nH+]1 ZINC000884569020 591983596 /nfs/dbraw/zinc/98/35/96/591983596.db2.gz ANEZBNJKDAWYML-JTQLQIEISA-N 1 2 217.316 2.784 20 0 BFADLO CCc1nc(NCCC(C)(C)COC)cc[nH+]1 ZINC000884579050 591985699 /nfs/dbraw/zinc/98/56/99/591985699.db2.gz PUHSPDGHYVLURI-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000884588869 591988580 /nfs/dbraw/zinc/98/85/80/591988580.db2.gz OTPVVDHBLZPVLT-OCAPTIKFSA-N 1 2 228.217 2.557 20 0 BFADLO CCOc1ccc(NCc2[nH+]ccn2C)cc1F ZINC000135308968 592004469 /nfs/dbraw/zinc/00/44/69/592004469.db2.gz KSUMGKYMOZZCOF-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1ccc([C@@H](C)O)c[nH+]1 ZINC000136292944 592105360 /nfs/dbraw/zinc/10/53/60/592105360.db2.gz DPYOYCKDWIHPRA-NQBHXWOUSA-N 1 2 234.343 2.902 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886044174 592139146 /nfs/dbraw/zinc/13/91/46/592139146.db2.gz SNICWGFWKFUWQI-NEPJUHHUSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886044174 592139149 /nfs/dbraw/zinc/13/91/49/592139149.db2.gz SNICWGFWKFUWQI-NEPJUHHUSA-N 1 2 247.329 2.920 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052467 592140958 /nfs/dbraw/zinc/14/09/58/592140958.db2.gz RAKOWYAFERGFRN-UKRRQHHQSA-N 1 2 231.339 2.940 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052467 592140960 /nfs/dbraw/zinc/14/09/60/592140960.db2.gz RAKOWYAFERGFRN-UKRRQHHQSA-N 1 2 231.339 2.940 20 0 BFADLO FC1=CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886102595 592155770 /nfs/dbraw/zinc/15/57/70/592155770.db2.gz KOCKLERTQNMKNP-QWHCGFSZSA-N 1 2 225.307 2.503 20 0 BFADLO FC1=CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886102595 592155771 /nfs/dbraw/zinc/15/57/71/592155771.db2.gz KOCKLERTQNMKNP-QWHCGFSZSA-N 1 2 225.307 2.503 20 0 BFADLO Cc1n[nH]c(CNc2c[nH+]c(C)c(C)c2)c1C ZINC000886188138 592172827 /nfs/dbraw/zinc/17/28/27/592172827.db2.gz LQPSXJKRLAERNN-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)c2ncco2)s1 ZINC000886273931 592193717 /nfs/dbraw/zinc/19/37/17/592193717.db2.gz JCKFVSOZZQAOLK-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO COCc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886273594 592193763 /nfs/dbraw/zinc/19/37/63/592193763.db2.gz CIQNWLPNCFMQFC-NSHDSACASA-N 1 2 246.310 2.672 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ncco1 ZINC000886274375 592194342 /nfs/dbraw/zinc/19/43/42/592194342.db2.gz RKMFXEYFTRCSFV-JTQLQIEISA-N 1 2 244.294 2.556 20 0 BFADLO Cc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000886275958 592195376 /nfs/dbraw/zinc/19/53/76/592195376.db2.gz SCRVBJHWUSVENW-LLVKDONJSA-N 1 2 216.284 2.834 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1ncco1 ZINC000886275965 592195414 /nfs/dbraw/zinc/19/54/14/592195414.db2.gz SKYXGPJOQRUZJM-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ncco2)s1 ZINC000886275742 592195859 /nfs/dbraw/zinc/19/58/59/592195859.db2.gz KQLBCTOJAMTVHX-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ncco2)s1 ZINC000886275743 592195902 /nfs/dbraw/zinc/19/59/02/592195902.db2.gz KQLBCTOJAMTVHX-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000886318029 592207655 /nfs/dbraw/zinc/20/76/55/592207655.db2.gz HWQPZPMBTAMBSO-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2ccsc2[C@H]1C ZINC000886318029 592207656 /nfs/dbraw/zinc/20/76/56/592207656.db2.gz HWQPZPMBTAMBSO-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1ccc(OC)cc1 ZINC000077266941 592320536 /nfs/dbraw/zinc/32/05/36/592320536.db2.gz AUZZRIZBJKWOLL-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1ccc(OC)cc1 ZINC000077266941 592320529 /nfs/dbraw/zinc/32/05/29/592320529.db2.gz AUZZRIZBJKWOLL-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOCCC[N@H+](CC(F)F)C1CCC1 ZINC000887098949 592441064 /nfs/dbraw/zinc/44/10/64/592441064.db2.gz JPEXAXGVKYTONL-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCOCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098949 592441067 /nfs/dbraw/zinc/44/10/67/592441067.db2.gz JPEXAXGVKYTONL-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)(C)[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102443 592443152 /nfs/dbraw/zinc/44/31/52/592443152.db2.gz PWQASNBNPLROMU-SNVBAGLBSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)(C)[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102443 592443155 /nfs/dbraw/zinc/44/31/55/592443155.db2.gz PWQASNBNPLROMU-SNVBAGLBSA-N 1 2 235.318 2.513 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102649 592443598 /nfs/dbraw/zinc/44/35/98/592443598.db2.gz ZAMPLGQQJNDQKX-KOLCDFICSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102649 592443600 /nfs/dbraw/zinc/44/36/00/592443600.db2.gz ZAMPLGQQJNDQKX-KOLCDFICSA-N 1 2 233.302 2.674 20 0 BFADLO FC(F)C[NH2+]Cc1cnc2ccccc2c1 ZINC000300874810 592523623 /nfs/dbraw/zinc/52/36/23/592523623.db2.gz IBSXCIDWUSYMPN-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)O[C@H](C)C3CC3)ccn12 ZINC000889770776 592653675 /nfs/dbraw/zinc/65/36/75/592653675.db2.gz DOVKNYDMAQCDQO-SNVBAGLBSA-N 1 2 244.294 2.598 20 0 BFADLO Cl/C=C/C[N@H+](Cc1ccoc1)C1CC1 ZINC000934003679 631582609 /nfs/dbraw/zinc/58/26/09/631582609.db2.gz DKQWWWXLPNKACC-ORCRQEGFSA-N 1 2 211.692 2.997 20 0 BFADLO Cl/C=C/C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934003679 631582616 /nfs/dbraw/zinc/58/26/16/631582616.db2.gz DKQWWWXLPNKACC-ORCRQEGFSA-N 1 2 211.692 2.997 20 0 BFADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]1CO ZINC000934025243 631602284 /nfs/dbraw/zinc/60/22/84/631602284.db2.gz CPCABSSCSLEOLD-WPRPVWTQSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]1CO ZINC000934025243 631602286 /nfs/dbraw/zinc/60/22/86/631602286.db2.gz CPCABSSCSLEOLD-WPRPVWTQSA-N 1 2 243.709 2.607 20 0 BFADLO C[NH+](C)c1ccc(NCC2(F)CC2)cc1 ZINC000308966620 631770855 /nfs/dbraw/zinc/77/08/55/631770855.db2.gz WFIQRXAMFSIZEC-UHFFFAOYSA-N 1 2 208.280 2.667 20 0 BFADLO CCOc1ccccc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138902887 632031908 /nfs/dbraw/zinc/03/19/08/632031908.db2.gz LWEVEADIXCFIBM-NSHDSACASA-N 1 2 245.326 2.659 20 0 BFADLO C=C(Cl)C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009957 632041476 /nfs/dbraw/zinc/04/14/76/632041476.db2.gz NYCPLNLCCXTGPS-JTQLQIEISA-N 1 2 226.707 2.872 20 0 BFADLO C=C(Cl)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000052009957 632041484 /nfs/dbraw/zinc/04/14/84/632041484.db2.gz NYCPLNLCCXTGPS-JTQLQIEISA-N 1 2 226.707 2.872 20 0 BFADLO CSc1ccc(C[NH2+]Cc2ccon2)s1 ZINC000308940835 632547546 /nfs/dbraw/zinc/54/75/46/632547546.db2.gz MBCZBFDXHNNQKA-UHFFFAOYSA-N 1 2 240.353 2.748 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cncs2)no1 ZINC000309883483 632678337 /nfs/dbraw/zinc/67/83/37/632678337.db2.gz WVVPQBSSMCGZFR-RKDXNWHRSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@H]([NH2+]CC(C)(C)O)C(F)(F)c1ccccc1 ZINC000925021782 635854458 /nfs/dbraw/zinc/85/44/58/635854458.db2.gz AWSMCDJYHQAVJI-JTQLQIEISA-N 1 2 243.297 2.527 20 0 BFADLO Cc1ncoc1C[NH2+][C@@H]1COc2ccc(C)cc21 ZINC000894347961 635858719 /nfs/dbraw/zinc/85/87/19/635858719.db2.gz XJTZLNYWQMXRPA-GFCCVEGCSA-N 1 2 244.294 2.515 20 0 BFADLO C[C@@H]([NH2+]CC[C@H](C)O)C(F)(F)c1ccccc1 ZINC000925067981 635888335 /nfs/dbraw/zinc/88/83/35/635888335.db2.gz CHKHTTXTVPJGNG-WDEREUQCSA-N 1 2 243.297 2.527 20 0 BFADLO CCc1cc(NCc2ncc(C)o2)nc(CC)[nH+]1 ZINC000892749120 633215910 /nfs/dbraw/zinc/21/59/10/633215910.db2.gz NFZBDQXHMRDKPY-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO C[C@@H]1C[NH+](Cc2csc(Cl)n2)C[C@H]1C ZINC000306571157 635970561 /nfs/dbraw/zinc/97/05/61/635970561.db2.gz ZZPSHQVZZGJNOZ-HTQZYQBOSA-N 1 2 230.764 2.884 20 0 BFADLO CN(C[C@H]1CC=CCC1)c1nccn2c[nH+]cc12 ZINC000893135105 633846950 /nfs/dbraw/zinc/84/69/50/633846950.db2.gz KJYQILFQGGRYLJ-LBPRGKRZSA-N 1 2 242.326 2.522 20 0 BFADLO CC1(CCC(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000895504644 636152740 /nfs/dbraw/zinc/15/27/40/636152740.db2.gz APQLHNDAXLZRLW-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1nn(C[N@@H+](C)C2CCCC2)c(=S)s1 ZINC000194571606 634324717 /nfs/dbraw/zinc/32/47/17/634324717.db2.gz GWULYXVHLFEPIT-UHFFFAOYSA-N 1 2 243.401 2.814 20 0 BFADLO Cc1nn(C[N@H+](C)C2CCCC2)c(=S)s1 ZINC000194571606 634324723 /nfs/dbraw/zinc/32/47/23/634324723.db2.gz GWULYXVHLFEPIT-UHFFFAOYSA-N 1 2 243.401 2.814 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000336462940 635158513 /nfs/dbraw/zinc/15/85/13/635158513.db2.gz PJQBHGREUGTRKO-PSASIEDQSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1c[nH]cn1 ZINC000336462940 635158517 /nfs/dbraw/zinc/15/85/17/635158517.db2.gz PJQBHGREUGTRKO-PSASIEDQSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000752087095 636553438 /nfs/dbraw/zinc/55/34/38/636553438.db2.gz CDFMBMWGOPAFOU-RQJHMYQMSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000752087095 636553430 /nfs/dbraw/zinc/55/34/30/636553430.db2.gz CDFMBMWGOPAFOU-RQJHMYQMSA-N 1 2 213.218 2.617 20 0 BFADLO CCCc1noc([C@@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923801769 637018652 /nfs/dbraw/zinc/01/86/52/637018652.db2.gz ZREQKYBZNGBXGU-LLVKDONJSA-N 1 2 248.330 2.854 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)nc1 ZINC000042448225 637256295 /nfs/dbraw/zinc/25/62/95/637256295.db2.gz OWPTVBBBYDLRIO-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)nc1 ZINC000042448225 637256300 /nfs/dbraw/zinc/25/63/00/637256300.db2.gz OWPTVBBBYDLRIO-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CC[NH2+]Cc1noc(C(C)(C)CC(C)(C)C)n1 ZINC000904493432 637421087 /nfs/dbraw/zinc/42/10/87/637421087.db2.gz CEBUKWMLCHGGCO-UHFFFAOYSA-N 1 2 239.363 2.893 20 0 BFADLO CC[NH2+]Cc1noc([C@@H](C)c2ccccc2C)n1 ZINC000904494972 637423076 /nfs/dbraw/zinc/42/30/76/637423076.db2.gz OJWVSBYACNORJZ-NSHDSACASA-N 1 2 245.326 2.639 20 0 BFADLO Cc1cc(CO)ccc1-c1cc[nH+]c(N(C)C)c1 ZINC000904849241 637506450 /nfs/dbraw/zinc/50/64/50/637506450.db2.gz JTRTUAJUKQAQJJ-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO CC(C)(C)c1cn(C[C@@H]2C[C@@]23CCOC3)c[nH+]1 ZINC000905237420 637723290 /nfs/dbraw/zinc/72/32/90/637723290.db2.gz MUAUBJMNWFCMJW-SMDDNHRTSA-N 1 2 234.343 2.607 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000906404666 638156354 /nfs/dbraw/zinc/15/63/54/638156354.db2.gz MSIMYUDJIBNSAF-SNVBAGLBSA-N 1 2 246.354 2.783 20 0 BFADLO Cc1cc(C)c(C(=O)N2C[C@@H](C)[C@H](C)C2)c(C)[nH+]1 ZINC000906849984 638257100 /nfs/dbraw/zinc/25/71/00/638257100.db2.gz KHLCTRUYUSVGBV-GHMZBOCLSA-N 1 2 246.354 2.735 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000907126824 638304158 /nfs/dbraw/zinc/30/41/58/638304158.db2.gz BKDJGMAINKVEON-LLVKDONJSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC=C(F)C2)c(C)[nH+]1 ZINC000907205803 638317956 /nfs/dbraw/zinc/31/79/56/638317956.db2.gz HHYYHHDXVKHZIC-UHFFFAOYSA-N 1 2 248.301 2.706 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2cnccc2C)o1 ZINC000930291218 639680635 /nfs/dbraw/zinc/68/06/35/639680635.db2.gz KMUUXUHLMYSURG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2cnccc2C)o1 ZINC000930291218 639680641 /nfs/dbraw/zinc/68/06/41/639680641.db2.gz KMUUXUHLMYSURG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CSCCC[N@H+](C)Cc1c(F)cncc1F ZINC000930318487 639699733 /nfs/dbraw/zinc/69/97/33/639699733.db2.gz UMJVHQULCGAGPX-UHFFFAOYSA-N 1 2 246.326 2.545 20 0 BFADLO CSCCC[N@@H+](C)Cc1c(F)cncc1F ZINC000930318487 639699740 /nfs/dbraw/zinc/69/97/40/639699740.db2.gz UMJVHQULCGAGPX-UHFFFAOYSA-N 1 2 246.326 2.545 20 0 BFADLO CC(F)(F)CCC[N@@H+]1Cc2ccncc2C1 ZINC000930462285 639765866 /nfs/dbraw/zinc/76/58/66/639765866.db2.gz HXFWMZSEDIYLTR-UHFFFAOYSA-N 1 2 226.270 2.833 20 0 BFADLO CC(F)(F)CCC[N@H+]1Cc2ccncc2C1 ZINC000930462285 639765876 /nfs/dbraw/zinc/76/58/76/639765876.db2.gz HXFWMZSEDIYLTR-UHFFFAOYSA-N 1 2 226.270 2.833 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)[C@@H](C)C2)c(C)[nH+]1 ZINC000930512046 639792806 /nfs/dbraw/zinc/79/28/06/639792806.db2.gz BGURODXIVJEVMB-QMMMGPOBSA-N 1 2 243.301 2.504 20 0 BFADLO CC[C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930631934 639834358 /nfs/dbraw/zinc/83/43/58/639834358.db2.gz XAYAVCDRBXCHGL-ZJUUUORDSA-N 1 2 245.326 2.727 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141341 640074553 /nfs/dbraw/zinc/07/45/53/640074553.db2.gz WOJSAZDXFBKBLV-AGIUHOORSA-N 1 2 248.374 2.768 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141341 640074556 /nfs/dbraw/zinc/07/45/56/640074556.db2.gz WOJSAZDXFBKBLV-AGIUHOORSA-N 1 2 248.374 2.768 20 0 BFADLO CC1(F)CC[NH+](Cc2c(F)cncc2F)CC1 ZINC000931502396 640236297 /nfs/dbraw/zinc/23/62/97/640236297.db2.gz PPDLUIIQLJHBSO-UHFFFAOYSA-N 1 2 244.260 2.684 20 0 BFADLO C[C@@H]1COCCN1c1ccc([NH2+]CC2CC2)cc1 ZINC000151280106 640353797 /nfs/dbraw/zinc/35/37/97/640353797.db2.gz SBEVAFGKZHJGQF-GFCCVEGCSA-N 1 2 246.354 2.734 20 0 BFADLO CC[C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932493411 640557925 /nfs/dbraw/zinc/55/79/25/640557925.db2.gz FYBNCQCVHAXIGV-SNVBAGLBSA-N 1 2 245.326 2.681 20 0 BFADLO Cc1ccc(F)cc1C[N@@H+]1CCn2cccc2C1 ZINC000932526728 640567875 /nfs/dbraw/zinc/56/78/75/640567875.db2.gz WPUCYTSOVTWFEN-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1ccc(F)cc1C[N@H+]1CCn2cccc2C1 ZINC000932526728 640567881 /nfs/dbraw/zinc/56/78/81/640567881.db2.gz WPUCYTSOVTWFEN-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1C ZINC000933484389 640722070 /nfs/dbraw/zinc/72/20/70/640722070.db2.gz JHEBUNOMEWRZCY-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1ccc(C)cc1 ZINC000170919051 640940427 /nfs/dbraw/zinc/94/04/27/640940427.db2.gz AWYANUIJVJTPFL-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1ccc(C)cc1 ZINC000170919051 640940433 /nfs/dbraw/zinc/94/04/33/640940433.db2.gz AWYANUIJVJTPFL-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO C[NH+](C)[C@H](CNCc1ccoc1)c1ccccc1 ZINC000062103380 641019222 /nfs/dbraw/zinc/01/92/22/641019222.db2.gz UMWYXQMTPOQSBT-OAHLLOKOSA-N 1 2 244.338 2.672 20 0 BFADLO CCCCC1([NH2+][C@H](CC)C(=O)OCC)CC1 ZINC000934207622 641102729 /nfs/dbraw/zinc/10/27/29/641102729.db2.gz SKMMEBXDMHKEPM-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO CCCCC1([NH2+]Cc2noc(CCC)n2)CC1 ZINC000934209613 641103635 /nfs/dbraw/zinc/10/36/35/641103635.db2.gz PKXNJIZUOBLGLT-UHFFFAOYSA-N 1 2 237.347 2.835 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934339843 641128931 /nfs/dbraw/zinc/12/89/31/641128931.db2.gz HHWJZACAICZSCP-YUMQZZPRSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934339843 641128934 /nfs/dbraw/zinc/12/89/34/641128934.db2.gz HHWJZACAICZSCP-YUMQZZPRSA-N 1 2 225.229 2.761 20 0 BFADLO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccon2)s1 ZINC000088052922 641282528 /nfs/dbraw/zinc/28/25/28/641282528.db2.gz WXQASKHDLQCHMX-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@@H](c1nc([C@H]2CCC[C@H](C)C2)no1)[NH+](C)C ZINC000350592745 641364310 /nfs/dbraw/zinc/36/43/10/641364310.db2.gz HNBXELZCGXDLOV-DCAQKATOSA-N 1 2 237.347 2.986 20 0 BFADLO CC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC=CC1 ZINC000935754423 641474064 /nfs/dbraw/zinc/47/40/64/641474064.db2.gz CDEWHFNRXDYBJX-UHFFFAOYSA-N 1 2 241.294 2.629 20 0 BFADLO CCCCOC(=O)C[N@H+](C)Cc1cccc(C)c1 ZINC000042252569 641549346 /nfs/dbraw/zinc/54/93/46/641549346.db2.gz FRCFFQJCUFUTIU-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO CCCCOC(=O)C[N@@H+](C)Cc1cccc(C)c1 ZINC000042252569 641549354 /nfs/dbraw/zinc/54/93/54/641549354.db2.gz FRCFFQJCUFUTIU-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO CCC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152593225 641620918 /nfs/dbraw/zinc/62/09/18/641620918.db2.gz KTYAVCNIJWYWNP-JTQLQIEISA-N 1 2 249.358 2.831 20 0 BFADLO CC/C=C(/C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152627011 641624851 /nfs/dbraw/zinc/62/48/51/641624851.db2.gz QUKSYMULEDBXQX-YFHOEESVSA-N 1 2 247.342 2.751 20 0 BFADLO CC(C)c1ccccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000074673480 641718830 /nfs/dbraw/zinc/71/88/30/641718830.db2.gz NKBDZLJUQSBHOQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC(C)c1ccc(NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000074673482 641720233 /nfs/dbraw/zinc/72/02/33/641720233.db2.gz KTCTUDILELLXMO-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C/C(=C/Cl)CSCCn1cc[nH+]c1 ZINC000308144936 642432609 /nfs/dbraw/zinc/43/26/09/642432609.db2.gz LEIVKNNELWOOCV-TWGQIWQCSA-N 1 2 216.737 2.759 20 0 BFADLO CC[N@H+](CCCCCO)c1ccc(C)cc1 ZINC000051020092 642494476 /nfs/dbraw/zinc/49/44/76/642494476.db2.gz FSYCBVOFCLTXOL-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO CC[N@@H+](CCCCCO)c1ccc(C)cc1 ZINC000051020092 642494481 /nfs/dbraw/zinc/49/44/81/642494481.db2.gz FSYCBVOFCLTXOL-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO CC[C@@H](C)C[N@H+](CC)Cn1ncsc1=S ZINC000174942869 642640430 /nfs/dbraw/zinc/64/04/30/642640430.db2.gz CEBONWIACLZQLY-SECBINFHSA-N 1 2 245.417 3.000 20 0 BFADLO CC[C@@H](C)C[N@@H+](CC)Cn1ncsc1=S ZINC000174942869 642640438 /nfs/dbraw/zinc/64/04/38/642640438.db2.gz CEBONWIACLZQLY-SECBINFHSA-N 1 2 245.417 3.000 20 0 BFADLO CCCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181985686 642936657 /nfs/dbraw/zinc/93/66/57/642936657.db2.gz TWLRSNLWMUUSQH-CYBMUJFWSA-N 1 2 235.327 2.633 20 0 BFADLO Cl/C=C(/Cl)COc1cc[nH+]cc1 ZINC000306453503 643325587 /nfs/dbraw/zinc/32/55/87/643325587.db2.gz NXSSIOBRMNLCDM-FNORWQNLSA-N 1 2 204.056 2.779 20 0 BFADLO Clc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000307605019 643539988 /nfs/dbraw/zinc/53/99/88/643539988.db2.gz XOHDMMGHPICCLL-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1ccc(Cl)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000307605019 643539993 /nfs/dbraw/zinc/53/99/93/643539993.db2.gz XOHDMMGHPICCLL-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000050166083 643627219 /nfs/dbraw/zinc/62/72/19/643627219.db2.gz ZFCQULUIQKIKMY-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ccnc(Cl)c1 ZINC000050166083 643627224 /nfs/dbraw/zinc/62/72/24/643627224.db2.gz ZFCQULUIQKIKMY-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CC(C)c1ccc(C[N@H+](C)[C@H]2CCOC2=O)cc1 ZINC000073605534 643694266 /nfs/dbraw/zinc/69/42/66/643694266.db2.gz VBAFJTXJWARQIQ-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCOC2=O)cc1 ZINC000073605534 643694285 /nfs/dbraw/zinc/69/42/85/643694285.db2.gz VBAFJTXJWARQIQ-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO Nc1[nH+]cccc1COC(=O)CCC1CCCC1 ZINC000922175994 643890830 /nfs/dbraw/zinc/89/08/30/643890830.db2.gz AXTRVQUXOMAJFU-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CC(C)(F)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000922299010 643962063 /nfs/dbraw/zinc/96/20/63/643962063.db2.gz AOWNDHLJKJMPMR-UHFFFAOYSA-N 1 2 228.311 2.810 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(F)F)c(C)c1 ZINC000922339644 643976374 /nfs/dbraw/zinc/97/63/74/643976374.db2.gz UWCYLVWIJMMFSV-VIFPVBQESA-N 1 2 229.270 2.747 20 0 BFADLO C[C@@H]1CC[C@H](CC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922524451 644012892 /nfs/dbraw/zinc/01/28/92/644012892.db2.gz KRJIPQQKCYUJJF-MNOVXSKESA-N 1 2 248.326 2.533 20 0 BFADLO CCC1(C(=O)OCc2ccc[nH+]c2N)CCCC1 ZINC000922525074 644014438 /nfs/dbraw/zinc/01/44/38/644014438.db2.gz IXKZCPYHSDRHHQ-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO Cc1cc(C[NH2+][C@H](c2ccccn2)C2CC2)no1 ZINC000922584337 644032638 /nfs/dbraw/zinc/03/26/38/644032638.db2.gz HZHWOBPREPUIFW-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO c1nc(C[NH2+][C@@H](c2ccccn2)C2CC2)cs1 ZINC000922586385 644036685 /nfs/dbraw/zinc/03/66/85/644036685.db2.gz LPQIYTNICLPUPR-CYBMUJFWSA-N 1 2 245.351 2.779 20 0 BFADLO CC1(C)CC[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922596749 644039415 /nfs/dbraw/zinc/03/94/15/644039415.db2.gz DRERABMUPBZGRB-NSHDSACASA-N 1 2 248.326 2.533 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922624315 644043324 /nfs/dbraw/zinc/04/33/24/644043324.db2.gz OEGGOZMIZSHXFR-YFHOEESVSA-N 1 2 248.326 2.699 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922774198 644091135 /nfs/dbraw/zinc/09/11/35/644091135.db2.gz XIEZMRLBFOXDED-NEPJUHHUSA-N 1 2 248.326 2.533 20 0 BFADLO O=C(OCCn1cc[nH+]c1)[C@H]1CCC=CCCC1 ZINC000923037795 644242697 /nfs/dbraw/zinc/24/26/97/644242697.db2.gz UZQBZVWSLLJIBX-ZDUSSCGKSA-N 1 2 248.326 2.563 20 0 BFADLO CCCc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090153539 644581923 /nfs/dbraw/zinc/58/19/23/644581923.db2.gz YNLJQXJCFMYIAL-UHFFFAOYSA-N 1 2 229.327 2.985 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cnoc1C ZINC000753920899 644606694 /nfs/dbraw/zinc/60/66/94/644606694.db2.gz KGCVSWWSFXUREV-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cnoc1C ZINC000753920899 644606702 /nfs/dbraw/zinc/60/67/02/644606702.db2.gz KGCVSWWSFXUREV-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO C/C(=C\C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC000817458460 644984100 /nfs/dbraw/zinc/98/41/00/644984100.db2.gz IABRNFJJIPZMAM-UXBLZVDNSA-N 1 2 244.338 2.671 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)C2(Cl)CC2)c1 ZINC000926664173 645345221 /nfs/dbraw/zinc/34/52/21/645345221.db2.gz YSVOWNGNGNFYQH-VIFPVBQESA-N 1 2 240.734 2.800 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930244538 645520583 /nfs/dbraw/zinc/52/05/83/645520583.db2.gz NWFMVWDFDMEWKY-FKTZTGRPSA-N 1 2 243.351 2.587 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930244538 645520590 /nfs/dbraw/zinc/52/05/90/645520590.db2.gz NWFMVWDFDMEWKY-FKTZTGRPSA-N 1 2 243.351 2.587 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000929106025 645945437 /nfs/dbraw/zinc/94/54/37/645945437.db2.gz DJUDHZOAAWPXIU-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000929106025 645945443 /nfs/dbraw/zinc/94/54/43/645945443.db2.gz DJUDHZOAAWPXIU-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO Cc1ccc(CSc2cccc[n+]2[O-])c(C)[nH+]1 ZINC000187284957 646040852 /nfs/dbraw/zinc/04/08/52/646040852.db2.gz FUUYOOSAKOIMRZ-UHFFFAOYSA-N 1 2 246.335 2.624 20 0 BFADLO CCOCC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000924696896 646091772 /nfs/dbraw/zinc/09/17/72/646091772.db2.gz HDCUWRGAVSYMKZ-LLVKDONJSA-N 1 2 243.297 2.793 20 0 BFADLO CCC[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000929410947 646110341 /nfs/dbraw/zinc/11/03/41/646110341.db2.gz DYTHCBAQAUXUCI-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO CCC[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000929410947 646110348 /nfs/dbraw/zinc/11/03/48/646110348.db2.gz DYTHCBAQAUXUCI-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CC[C@@H](C)C2)n1 ZINC000929461317 646125912 /nfs/dbraw/zinc/12/59/12/646125912.db2.gz HHEMLCQDPLYVFH-SECBINFHSA-N 1 2 225.361 2.503 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CC[C@@H](C)C2)n1 ZINC000929461317 646125919 /nfs/dbraw/zinc/12/59/19/646125919.db2.gz HHEMLCQDPLYVFH-SECBINFHSA-N 1 2 225.361 2.503 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2cccc(C)n2)o1 ZINC000929993159 646386289 /nfs/dbraw/zinc/38/62/89/646386289.db2.gz DZBCGYAGVKIIAV-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2cccc(C)n2)o1 ZINC000929993159 646386297 /nfs/dbraw/zinc/38/62/97/646386297.db2.gz DZBCGYAGVKIIAV-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C(C)(C)CO ZINC000926025128 646561462 /nfs/dbraw/zinc/56/14/62/646561462.db2.gz DRWNIROVAYJLFG-NSHDSACASA-N 1 2 236.359 2.572 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)C(C)(C)CO ZINC000926025128 646561466 /nfs/dbraw/zinc/56/14/66/646561466.db2.gz DRWNIROVAYJLFG-NSHDSACASA-N 1 2 236.359 2.572 20 0 BFADLO Cc1cc(N[C@@H]2COC[C@@H]2C)ccc1[NH+](C)C ZINC000926052554 646565460 /nfs/dbraw/zinc/56/54/60/646565460.db2.gz JKHYVXZTUMBFNO-WCQYABFASA-N 1 2 234.343 2.508 20 0 BFADLO C[C@H]1COC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926067213 646570471 /nfs/dbraw/zinc/57/04/71/646570471.db2.gz VQDQESQXOFCZKZ-FZMZJTMJSA-N 1 2 246.354 2.516 20 0 BFADLO C[C@H]1COC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926067213 646570473 /nfs/dbraw/zinc/57/04/73/646570473.db2.gz VQDQESQXOFCZKZ-FZMZJTMJSA-N 1 2 246.354 2.516 20 0 BFADLO C[C@@H]1COC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926067212 646571247 /nfs/dbraw/zinc/57/12/47/646571247.db2.gz VQDQESQXOFCZKZ-BXUZGUMPSA-N 1 2 246.354 2.516 20 0 BFADLO C[C@@H]1COC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926067212 646571250 /nfs/dbraw/zinc/57/12/50/646571250.db2.gz VQDQESQXOFCZKZ-BXUZGUMPSA-N 1 2 246.354 2.516 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000926368811 646628854 /nfs/dbraw/zinc/62/88/54/646628854.db2.gz FFQQBFAFVMUZDC-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO CC[C@H](Nc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000723856457 711539535 /nfs/dbraw/zinc/53/95/35/711539535.db2.gz BKYHPJSXHKJUEG-RYUDHWBXSA-N 1 2 220.316 2.699 20 0 BFADLO C[C@@H]1C[C@H](Nc2cccc[nH+]2)CCS1 ZINC000725630713 711667639 /nfs/dbraw/zinc/66/76/39/711667639.db2.gz QHXIATPHOOVRGM-NXEZZACHSA-N 1 2 208.330 2.778 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CC12CCCC2)C(=O)OC(C)(C)C ZINC000387324790 711787810 /nfs/dbraw/zinc/78/78/10/711787810.db2.gz RKAOPZQTZBWALW-GHMZBOCLSA-N 1 2 239.359 2.639 20 0 BFADLO Clc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(Cl)n1 ZINC000706998054 712164299 /nfs/dbraw/zinc/16/42/99/712164299.db2.gz CBCBWLBHEAWMFY-IONNQARKSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(Cl)n1 ZINC000706998054 712164300 /nfs/dbraw/zinc/16/43/00/712164300.db2.gz CBCBWLBHEAWMFY-IONNQARKSA-N 1 2 243.137 2.983 20 0 BFADLO COCC(C)(C)CCNc1cccc[nH+]1 ZINC000718765568 712782051 /nfs/dbraw/zinc/78/20/51/712782051.db2.gz VDTHPBAUMSLUGZ-UHFFFAOYSA-N 1 2 208.305 2.556 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCO1 ZINC000383321617 710980378 /nfs/dbraw/zinc/98/03/78/710980378.db2.gz SLYVTXBKXUEFBG-SMDDNHRTSA-N 1 2 234.343 2.732 20 0 BFADLO C[C@H]([NH2+]Cc1cncc2ccccc21)C(F)F ZINC000389925878 711098856 /nfs/dbraw/zinc/09/88/56/711098856.db2.gz CMMQJTKRXLKXLS-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO CNc1cc(NC2CCC(F)(F)CC2)[nH+]cn1 ZINC000390429218 711116451 /nfs/dbraw/zinc/11/64/51/711116451.db2.gz RPVITFMCNGIGHT-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000395343155 711208612 /nfs/dbraw/zinc/20/86/12/711208612.db2.gz ZSRXSSIPMFXFPG-QJPTWQEYSA-N 1 2 241.375 2.741 20 0 BFADLO Fc1cccc(C[N@H+](Cc2ccoc2)C2CC2)n1 ZINC000934004652 711561184 /nfs/dbraw/zinc/56/11/84/711561184.db2.gz PMOSYGKKCPHPJK-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2ccoc2)C2CC2)n1 ZINC000934004652 711561185 /nfs/dbraw/zinc/56/11/85/711561185.db2.gz PMOSYGKKCPHPJK-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Cc1cc(Cl)cc(C[NH2+]Cc2ccon2)c1 ZINC000382310260 711659323 /nfs/dbraw/zinc/65/93/23/711659323.db2.gz PVVBAAAPPLZXBC-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000335066879 711720186 /nfs/dbraw/zinc/72/01/86/711720186.db2.gz FGCDZPMZHGCNOO-CQSZACIVSA-N 1 2 241.338 2.885 20 0 BFADLO CCCn1cc(NCc2c[nH+]cn2C(C)C)cn1 ZINC000722370553 711750670 /nfs/dbraw/zinc/75/06/70/711750670.db2.gz HGXVKICJFVFLFU-UHFFFAOYSA-N 1 2 247.346 2.683 20 0 BFADLO CCCCOC(=O)C[N@H+](C)Cc1ccccc1C ZINC000049801889 711870007 /nfs/dbraw/zinc/87/00/07/711870007.db2.gz PXOORVQFBIBJTR-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO CCCCOC(=O)C[N@@H+](C)Cc1ccccc1C ZINC000049801889 711870009 /nfs/dbraw/zinc/87/00/09/711870009.db2.gz PXOORVQFBIBJTR-UHFFFAOYSA-N 1 2 249.354 2.770 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc2c(c1)CCCN2C ZINC000182954615 711897202 /nfs/dbraw/zinc/89/72/02/711897202.db2.gz UOXQDHHSILGCEN-GFCCVEGCSA-N 1 2 248.370 2.906 20 0 BFADLO COCC[C@@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182954615 711897203 /nfs/dbraw/zinc/89/72/03/711897203.db2.gz UOXQDHHSILGCEN-GFCCVEGCSA-N 1 2 248.370 2.906 20 0 BFADLO COCC[C@@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182954615 711897204 /nfs/dbraw/zinc/89/72/04/711897204.db2.gz UOXQDHHSILGCEN-GFCCVEGCSA-N 1 2 248.370 2.906 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000702546841 712055160 /nfs/dbraw/zinc/05/51/60/712055160.db2.gz MQVPBGBGDIMCGL-QMMMGPOBSA-N 1 2 230.352 2.888 20 0 BFADLO Cc1ccc(NC2CCC(C)(O)CC2)c(C)[nH+]1 ZINC000702997194 712063115 /nfs/dbraw/zinc/06/31/15/712063115.db2.gz OOBQLBZGTYFMKW-UHFFFAOYSA-N 1 2 234.343 2.804 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000705259183 712127100 /nfs/dbraw/zinc/12/71/00/712127100.db2.gz PXPNMCWTODGXJU-STQMWFEESA-N 1 2 246.354 2.591 20 0 BFADLO COc1cc(F)ccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000708961820 712204463 /nfs/dbraw/zinc/20/44/63/712204463.db2.gz SRXXBYDOSZDUMS-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO Cc1[nH]c(CN(C)c2ccc(C)cc2)[nH+]c1C ZINC000709067760 712207519 /nfs/dbraw/zinc/20/75/19/712207519.db2.gz CJVFLLIGZGJJNA-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO c1ccc(N[C@@H](C2CCC2)[C@@H]2CCOC2)[nH+]c1 ZINC000711854010 712337030 /nfs/dbraw/zinc/33/70/30/712337030.db2.gz CJUQKSQTMFOHAP-OCCSQVGLSA-N 1 2 232.327 2.699 20 0 BFADLO c1ccc(NCC[C@@H]2C[C@H]2C2CC2)[nH+]c1 ZINC000712699161 712448727 /nfs/dbraw/zinc/44/87/27/712448727.db2.gz FNDOFPPPHWACSC-NEPJUHHUSA-N 1 2 202.301 2.930 20 0 BFADLO COc1ccc[nH+]c1NCC[C@H]1CCCS1 ZINC000715638249 712529217 /nfs/dbraw/zinc/52/92/17/712529217.db2.gz WNZPVQNTQKXLGI-SNVBAGLBSA-N 1 2 238.356 2.788 20 0 BFADLO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1cccc[nH+]1 ZINC000716594094 712564585 /nfs/dbraw/zinc/56/45/85/712564585.db2.gz QBWAPRFTTOJDCN-RHYQMDGZSA-N 1 2 202.301 2.786 20 0 BFADLO Clc1ncc(C[NH2+]Cc2nccs2)s1 ZINC000718138562 712748225 /nfs/dbraw/zinc/74/82/25/712748225.db2.gz CZRAMFJJFGPFKA-UHFFFAOYSA-N 1 2 245.760 2.543 20 0 BFADLO Cc1coc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000719554533 712809377 /nfs/dbraw/zinc/80/93/77/712809377.db2.gz JACUNWZFJBHTBT-UHFFFAOYSA-N 1 2 248.351 2.823 20 0 BFADLO Cc1conc1C[NH2+][C@@H](C)c1ccsc1 ZINC000720420683 712841241 /nfs/dbraw/zinc/84/12/41/712841241.db2.gz ATBNKJRGIHXVSN-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO C[C@@H]1Cc2cc(C[NH2+]CC(C)(F)F)ccc2O1 ZINC000720704389 712861918 /nfs/dbraw/zinc/86/19/18/712861918.db2.gz JUOBMGAXJMPFDY-SECBINFHSA-N 1 2 241.281 2.755 20 0 BFADLO FC1(F)CCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001207954832 956895280 /nfs/dbraw/zinc/89/52/80/956895280.db2.gz UQECHCKSWUKVSZ-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO FC1(F)CCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001207954832 956895284 /nfs/dbraw/zinc/89/52/84/956895284.db2.gz UQECHCKSWUKVSZ-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO COc1ccc(F)c(F)c1C[N@H+]1CC[C@H]1C ZINC001143404844 958515391 /nfs/dbraw/zinc/51/53/91/958515391.db2.gz REPOLKHJIUMYFV-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO [NH2+]=CNc1cc2c(Cl)cccc2cn1 ZINC001167869615 961370140 /nfs/dbraw/zinc/37/01/40/961370140.db2.gz YJHHWVDPQRTOQH-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ccc(C2CC2)nn1 ZINC001155181483 963007813 /nfs/dbraw/zinc/00/78/13/963007813.db2.gz RESKSYQTXVUPIO-UHFFFAOYSA-N 1 2 218.304 2.789 20 0 BFADLO Nc1[nH+]c(NCCC2CCC2)ccc1Cl ZINC001158053546 963799481 /nfs/dbraw/zinc/79/94/81/963799481.db2.gz YCVOOWUONMSNCP-UHFFFAOYSA-N 1 2 225.723 2.919 20 0 BFADLO CCCNc1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001168137992 963835144 /nfs/dbraw/zinc/83/51/44/963835144.db2.gz WYTKBHITOBPCHU-UHFFFAOYSA-N 1 2 219.263 2.833 20 0 BFADLO CC(C)(C)Cc1ccc(N2CCOCC2)[nH+]c1 ZINC000201842225 964776107 /nfs/dbraw/zinc/77/61/07/964776107.db2.gz CNLHBKCNMGKFER-UHFFFAOYSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC[C@@](C)(F)[C@H](F)C1 ZINC001164334500 965848866 /nfs/dbraw/zinc/84/88/66/965848866.db2.gz SWARMLUUXDLWOX-ZYHUDNBSSA-N 1 2 244.260 2.806 20 0 BFADLO Fc1cc(F)c(F)c(CCn2cc[nH+]c2)c1 ZINC001250318502 967685945 /nfs/dbraw/zinc/68/59/45/967685945.db2.gz GICDNVLEFZTMDW-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO Cc1c(F)ccc(CCn2cc[nH+]c2)c1F ZINC001250320776 967696344 /nfs/dbraw/zinc/69/63/44/967696344.db2.gz PROKOEIEJDUTCL-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO CCCC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252082998 968504586 /nfs/dbraw/zinc/50/45/86/968504586.db2.gz LEIWIVPCSRJCGE-GFCCVEGCSA-N 1 2 236.359 2.915 20 0 BFADLO CCc1noc([C@@H](C)[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001252638751 968889186 /nfs/dbraw/zinc/88/91/86/968889186.db2.gz YFWXMJMUKMSVAU-SECBINFHSA-N 1 2 237.347 2.813 20 0 BFADLO CCc1noc([C@@H](C)[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001252638751 968889192 /nfs/dbraw/zinc/88/91/92/968889192.db2.gz YFWXMJMUKMSVAU-SECBINFHSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1ncccc1F ZINC001209806130 969632666 /nfs/dbraw/zinc/63/26/66/969632666.db2.gz UUANQQUTCUKMBX-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO C[C@@H](CC(F)(F)F)[NH+]1CC2(C1)CCCCO2 ZINC001255652841 970433605 /nfs/dbraw/zinc/43/36/05/970433605.db2.gz QYBCDDXSZGEHNS-VIFPVBQESA-N 1 2 237.265 2.582 20 0 BFADLO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC2(F)F)cc1 ZINC001255771759 970473763 /nfs/dbraw/zinc/47/37/63/970473763.db2.gz CIWLJEFKOMPKDT-JQWIXIFHSA-N 1 2 225.282 2.923 20 0 BFADLO CCc1nn(C[N@@H+](C)C2CCCC2)c(=S)o1 ZINC001333770805 976074946 /nfs/dbraw/zinc/07/49/46/976074946.db2.gz JVOIXXWUFPKVKH-UHFFFAOYSA-N 1 2 241.360 2.600 20 0 BFADLO C[N@@H+]1CCC=C(Nc2c(F)cccc2F)C1 ZINC001175577413 977589591 /nfs/dbraw/zinc/58/95/91/977589591.db2.gz SAPCLMDFKHAHPH-UHFFFAOYSA-N 1 2 224.254 2.596 20 0 BFADLO C[N@H+]1CCC=C(Nc2c(F)cccc2F)C1 ZINC001175577413 977589600 /nfs/dbraw/zinc/58/96/00/977589600.db2.gz SAPCLMDFKHAHPH-UHFFFAOYSA-N 1 2 224.254 2.596 20 0 BFADLO Cc1cc(F)cc(N2CCC(F)(F)CC2)[nH+]1 ZINC001336621762 977817750 /nfs/dbraw/zinc/81/77/50/977817750.db2.gz CTVFGYVNYHKWPL-UHFFFAOYSA-N 1 2 230.233 2.765 20 0 BFADLO COc1ccnc(Cl)c1C[N@H+](C)C(C)C ZINC001232151774 977898630 /nfs/dbraw/zinc/89/86/30/977898630.db2.gz JPJSMFABJYXIDD-UHFFFAOYSA-N 1 2 228.723 2.584 20 0 BFADLO COc1ccnc(Cl)c1C[N@@H+](C)C(C)C ZINC001232151774 977898637 /nfs/dbraw/zinc/89/86/37/977898637.db2.gz JPJSMFABJYXIDD-UHFFFAOYSA-N 1 2 228.723 2.584 20 0 BFADLO CC1(C)C[NH+](Cc2cnsc2)CC(C)(C)O1 ZINC001232229502 977966291 /nfs/dbraw/zinc/96/62/91/977966291.db2.gz MJIZCMQTGCSBKT-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CC1C[NH+](Cc2ccnc(C(F)(F)F)c2)C1 ZINC001232237467 977971976 /nfs/dbraw/zinc/97/19/76/977971976.db2.gz QQHWDXDGAOQSRF-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO Clc1csc(C[NH+]2CC3(CSC3)C2)c1 ZINC001232283363 977992616 /nfs/dbraw/zinc/99/26/16/977992616.db2.gz YBRAVNWVIUXLIO-UHFFFAOYSA-N 1 2 245.800 2.950 20 0 BFADLO CSc1ccc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC001232331689 978009544 /nfs/dbraw/zinc/00/95/44/978009544.db2.gz UZSULXVAIOKKBI-LLVKDONJSA-N 1 2 240.347 2.737 20 0 BFADLO CSc1ccc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC001232331689 978009553 /nfs/dbraw/zinc/00/95/53/978009553.db2.gz UZSULXVAIOKKBI-LLVKDONJSA-N 1 2 240.347 2.737 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001232324654 978006423 /nfs/dbraw/zinc/00/64/23/978006423.db2.gz MPYSYCIUIDJYSQ-KOLCDFICSA-N 1 2 240.347 2.593 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cn1 ZINC001232324654 978006434 /nfs/dbraw/zinc/00/64/34/978006434.db2.gz MPYSYCIUIDJYSQ-KOLCDFICSA-N 1 2 240.347 2.593 20 0 BFADLO Cc1cnsc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001233318334 978552103 /nfs/dbraw/zinc/55/21/03/978552103.db2.gz ZNCAXDQKTRSTGU-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnsc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001233318334 978552106 /nfs/dbraw/zinc/55/21/06/978552106.db2.gz ZNCAXDQKTRSTGU-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(NCCCc2ccsc2)cc[nH+]1 ZINC001338269098 978647070 /nfs/dbraw/zinc/64/70/70/978647070.db2.gz ARUWMEPNPPXARY-UHFFFAOYSA-N 1 2 233.340 2.891 20 0 BFADLO CCSCCc1ccn2cc[nH+]c2c1 ZINC001250021384 979310967 /nfs/dbraw/zinc/31/09/67/979310967.db2.gz BFBSDFOYQHVFKP-UHFFFAOYSA-N 1 2 206.314 2.630 20 0 BFADLO Cc1ccc(Nc2ccnc(F)c2)c(C)[nH+]1 ZINC001203368198 979326377 /nfs/dbraw/zinc/32/63/77/979326377.db2.gz WAZCJAREWWUSAV-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO CCc1cn(CCSC(C)(C)C)c[nH+]1 ZINC001190105033 980847631 /nfs/dbraw/zinc/84/76/31/980847631.db2.gz YKWCUGKKYIEQRU-UHFFFAOYSA-N 1 2 212.362 2.977 20 0 BFADLO CC(C)c1ocnc1C[N@@H+]1CCS[C@H](C)C1 ZINC001349689099 981644443 /nfs/dbraw/zinc/64/44/43/981644443.db2.gz WLTAHKMCCNMVPJ-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1ocnc1C[N@H+]1CCS[C@H](C)C1 ZINC001349689099 981644455 /nfs/dbraw/zinc/64/44/55/981644455.db2.gz WLTAHKMCCNMVPJ-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncc(C(F)(F)F)c1 ZINC001240792412 981836268 /nfs/dbraw/zinc/83/62/68/981836268.db2.gz UKRMUWHPGSFVCE-BVOBWIRXSA-N 1 2 228.217 2.976 20 0 BFADLO CCCC[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001201700285 983410472 /nfs/dbraw/zinc/41/04/72/983410472.db2.gz ICJQNHVLIITJPT-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO CCCC[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001201700285 983410479 /nfs/dbraw/zinc/41/04/79/983410479.db2.gz ICJQNHVLIITJPT-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccon2)c1 ZINC001137158122 984004968 /nfs/dbraw/zinc/00/49/68/984004968.db2.gz DWZLSCVNRIWHPY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccon2)c1 ZINC001137158122 984004976 /nfs/dbraw/zinc/00/49/76/984004976.db2.gz DWZLSCVNRIWHPY-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCCNc1cc(NCCC(F)(F)F)nc[nH+]1 ZINC000133246783 984103692 /nfs/dbraw/zinc/10/36/92/984103692.db2.gz YGCQRKWRQZNYLR-UHFFFAOYSA-N 1 2 248.252 2.663 20 0 BFADLO CCCNc1cc(NCCC(F)(F)F)[nH+]cn1 ZINC000133246783 984103704 /nfs/dbraw/zinc/10/37/04/984103704.db2.gz YGCQRKWRQZNYLR-UHFFFAOYSA-N 1 2 248.252 2.663 20 0 BFADLO CC(C)(C)[NH+]1CC(Oc2cccc(F)c2F)C1 ZINC001225923079 974731232 /nfs/dbraw/zinc/73/12/32/974731232.db2.gz SEFNVFBTDWYELK-UHFFFAOYSA-N 1 2 241.281 2.826 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2ccno2)cc1 ZINC001243473678 970764911 /nfs/dbraw/zinc/76/49/11/970764911.db2.gz FARSSULXDCEUEZ-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144646833 972912093 /nfs/dbraw/zinc/91/20/93/972912093.db2.gz MLJNIMRSYRMXJX-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144646833 972912119 /nfs/dbraw/zinc/91/21/19/972912119.db2.gz MLJNIMRSYRMXJX-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO COc1c(F)ccc(C)c1-c1ccc[nH+]c1N ZINC001243474710 970765783 /nfs/dbraw/zinc/76/57/83/970765783.db2.gz ZQOWGKYNTJGTIE-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO CCO[C@@H](C)COCc1cc(C)[nH+]c(C)c1 ZINC001223425435 973066801 /nfs/dbraw/zinc/06/68/01/973066801.db2.gz RNVJCFKSAUTBLZ-LBPRGKRZSA-N 1 2 223.316 2.640 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2c[nH]cn2)cc1 ZINC001243477955 970769233 /nfs/dbraw/zinc/76/92/33/970769233.db2.gz UIIMVNZVCINQLI-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO Oc1ccc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001206057793 970881456 /nfs/dbraw/zinc/88/14/56/970881456.db2.gz ORZAADWUNYHMEB-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO CN(C)c1cc(F)cc(Nc2[nH+]cccc2N)c1 ZINC001216156945 970961855 /nfs/dbraw/zinc/96/18/55/970961855.db2.gz CTEOIGOIQSQOOD-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO CC(=O)C1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000403808941 971065484 /nfs/dbraw/zinc/06/54/84/971065484.db2.gz HKGNJMLRPGPPIE-UHFFFAOYSA-N 1 2 236.142 2.606 20 0 BFADLO COc1cnc(F)c(Nc2c[nH+]c(C)cc2C)c1 ZINC001216408002 971078492 /nfs/dbraw/zinc/07/84/92/971078492.db2.gz XOKXQHBKNOSOKA-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1cc[nH+]c(C)c1NCc1nccc(Cl)n1 ZINC001170546768 971152644 /nfs/dbraw/zinc/15/26/44/971152644.db2.gz MLXXDYXJVXWBFN-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCCC[C@@H](CC)N1CC[NH+](CC2CC2)CC1 ZINC001257424072 971324942 /nfs/dbraw/zinc/32/49/42/971324942.db2.gz ZZYFUXQDKKGGBK-OAHLLOKOSA-N 1 2 238.419 2.983 20 0 BFADLO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001257480420 971405702 /nfs/dbraw/zinc/40/57/02/971405702.db2.gz DSPNHHNOUOJWNJ-VXGBXAGGSA-N 1 2 211.349 2.866 20 0 BFADLO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001257480420 971405708 /nfs/dbraw/zinc/40/57/08/971405708.db2.gz DSPNHHNOUOJWNJ-VXGBXAGGSA-N 1 2 211.349 2.866 20 0 BFADLO CNc1cc(F)cc(-c2ccc[nH+]c2N)c1 ZINC001244825844 971435233 /nfs/dbraw/zinc/43/52/33/971435233.db2.gz MOJZGXJYEYEFBR-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO CCCCCCO[C@H]1C[NH2+]CC(F)(F)C1 ZINC001217856456 971447874 /nfs/dbraw/zinc/44/78/74/971447874.db2.gz QAAHRNZEFAOFPF-SNVBAGLBSA-N 1 2 221.291 2.581 20 0 BFADLO COc1cc(CO)cc(-c2cc(C)[nH+]c(C)c2)c1 ZINC001244839820 971449326 /nfs/dbraw/zinc/44/93/26/971449326.db2.gz VDZIMSFTDPGRMB-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO C[C@H]1CC[N@@H+]([C@@H]2CCCSC2)CC1(F)F ZINC001257670851 971474422 /nfs/dbraw/zinc/47/44/22/971474422.db2.gz JZECLVQMCKGLMH-VHSXEESVSA-N 1 2 235.343 2.859 20 0 BFADLO C[C@H]1CC[N@H+]([C@@H]2CCCSC2)CC1(F)F ZINC001257670851 971474423 /nfs/dbraw/zinc/47/44/23/971474423.db2.gz JZECLVQMCKGLMH-VHSXEESVSA-N 1 2 235.343 2.859 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc(S)c1 ZINC001217983363 971557263 /nfs/dbraw/zinc/55/72/63/971557263.db2.gz BHDCEICGKZJQHL-GXFFZTMASA-N 1 2 237.368 2.742 20 0 BFADLO C=Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218010660 971569756 /nfs/dbraw/zinc/56/97/56/971569756.db2.gz QXQFFXLBCJRJBK-GFCCVEGCSA-N 1 2 239.265 2.706 20 0 BFADLO CC(C)c1ccc(N(C)CC(F)F)[nH+]c1 ZINC001158926528 971583207 /nfs/dbraw/zinc/58/32/07/971583207.db2.gz JTVHISHDKIBXSA-UHFFFAOYSA-N 1 2 214.259 2.906 20 0 BFADLO Cc1csc(C(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001133686237 971593424 /nfs/dbraw/zinc/59/34/24/971593424.db2.gz YRCZSKCAEODOPO-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Sc1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218090711 971598826 /nfs/dbraw/zinc/59/88/26/971598826.db2.gz CKNSKGJTUHDOPZ-KGLIPLIRSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cc(O[C@H]2C[NH2+]CC(F)(F)C2)ccc1F ZINC001218273548 971668034 /nfs/dbraw/zinc/66/80/34/971668034.db2.gz STCMJENVHGEJBE-SNVBAGLBSA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cccc(O[C@H]2C[NH2+]CC(F)(F)C2)c1C ZINC001218272009 971669863 /nfs/dbraw/zinc/66/98/63/971669863.db2.gz JSMWFBZNBBJIKO-LLVKDONJSA-N 1 2 241.281 2.679 20 0 BFADLO FC1(F)C[NH2+]C[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001218270550 971669518 /nfs/dbraw/zinc/66/95/18/971669518.db2.gz DURGWEGPTSKLKK-JTQLQIEISA-N 1 2 247.672 2.716 20 0 BFADLO Cc1cc(O[C@@H]2C[NH2+]CC(F)(F)C2)ccc1F ZINC001218273547 971670278 /nfs/dbraw/zinc/67/02/78/971670278.db2.gz STCMJENVHGEJBE-JTQLQIEISA-N 1 2 245.244 2.510 20 0 BFADLO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc(S)c1 ZINC001218312438 971704523 /nfs/dbraw/zinc/70/45/23/971704523.db2.gz BPEKDFWWGAUHIN-LBPRGKRZSA-N 1 2 237.368 2.742 20 0 BFADLO C[C@@H]1CCC[C@H](Oc2ccc[nH+]c2N)[C@@H]1C ZINC001218352563 971720278 /nfs/dbraw/zinc/72/02/78/971720278.db2.gz IKXIMQGGDCCIKN-MXWKQRLJSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218408324 971779961 /nfs/dbraw/zinc/77/99/61/971779961.db2.gz UTUXOQGEZYUHBY-GHMZBOCLSA-N 1 2 237.368 2.803 20 0 BFADLO CC1(C)C[C@H](Oc2ccc(S)cc2)CC[NH2+]1 ZINC001218469284 971826366 /nfs/dbraw/zinc/82/63/66/971826366.db2.gz JYVORSSAVYPJTR-LLVKDONJSA-N 1 2 237.368 2.885 20 0 BFADLO Cc1ccc(NCOc2ccccc2)[nH+]c1 ZINC001170802137 971844635 /nfs/dbraw/zinc/84/46/35/971844635.db2.gz FBPHSOGCPXYCGU-UHFFFAOYSA-N 1 2 214.268 2.838 20 0 BFADLO Cc1cc(-c2cnc3cc[nH]c3c2)c[nH+]c1N ZINC001245538222 971851355 /nfs/dbraw/zinc/85/13/55/971851355.db2.gz YOOOCIOVSDMJEZ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COCc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000310073293 971931752 /nfs/dbraw/zinc/93/17/52/971931752.db2.gz PVIWJIPHHNVVJY-UHFFFAOYSA-N 1 2 229.283 2.554 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)[nH+]c2cc[nH]c21 ZINC001170833105 971948003 /nfs/dbraw/zinc/94/80/03/971948003.db2.gz VFDMXRRXTYBOTA-QWRGUYRKSA-N 1 2 245.326 2.708 20 0 BFADLO Cc1cc(C)c(Nc2cncc(Cl)n2)c[nH+]1 ZINC001213505820 957026135 /nfs/dbraw/zinc/02/61/35/957026135.db2.gz QKKGXIYOXWZMDE-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1ncc(Nc2c[nH+]c(C)cc2C)c(C)n1 ZINC001213508065 957045685 /nfs/dbraw/zinc/04/56/85/957045685.db2.gz KNHHZWZSUZCKQR-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Clc1nccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841021 957540456 /nfs/dbraw/zinc/54/04/56/957540456.db2.gz AZMQNBTYBFLPIX-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)nc(C)n1 ZINC001209841142 957540745 /nfs/dbraw/zinc/54/07/45/957540745.db2.gz DWIGITXEAJQEBH-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO FC[C@H]1[C@@H]2CN(c3cc4ccccc4c[nH+]3)C[C@H]12 ZINC001167222415 957553648 /nfs/dbraw/zinc/55/36/48/957553648.db2.gz PMYZKTHUWCPKQY-ZSOGYDGISA-N 1 2 242.297 2.887 20 0 BFADLO F[C@H]1CCCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC001136876318 972288808 /nfs/dbraw/zinc/28/88/08/972288808.db2.gz ZLDMBYTVJVYCLK-LBPRGKRZSA-N 1 2 247.317 2.658 20 0 BFADLO F[C@H]1CCCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC001136876318 972288810 /nfs/dbraw/zinc/28/88/10/972288810.db2.gz ZLDMBYTVJVYCLK-LBPRGKRZSA-N 1 2 247.317 2.658 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1Cc2cncnc2C1 ZINC001137846557 972297363 /nfs/dbraw/zinc/29/73/63/972297363.db2.gz MRJPIYYHNCWBFF-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1Cc2cncnc2C1 ZINC001137846557 972297367 /nfs/dbraw/zinc/29/73/67/972297367.db2.gz MRJPIYYHNCWBFF-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO COc1cc(Nc2cccc(F)n2)cc(C)[nH+]1 ZINC001210776088 957873738 /nfs/dbraw/zinc/87/37/38/957873738.db2.gz LVBVSHKAFBJUNS-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CC=C(C)Nc1ccccc1C[NH+]1CCOCC1 ZINC001210795485 957893554 /nfs/dbraw/zinc/89/35/54/957893554.db2.gz XOTOTORLMZKEMO-QLKAYGNNSA-N 1 2 246.354 2.854 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1nccs1 ZINC001210989270 957970474 /nfs/dbraw/zinc/97/04/74/957970474.db2.gz COPVRZSSZJDSGX-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1cc(C)c(Nc2nccs2)c[nH+]1 ZINC001210989301 957972689 /nfs/dbraw/zinc/97/26/89/957972689.db2.gz DXIHLIVMVZGVQE-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccc(OC)n1 ZINC001211298010 958142269 /nfs/dbraw/zinc/14/22/69/958142269.db2.gz WOECUEFDZLGWKF-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO CC[C@@H]1CC[N@H+](Cc2nc(C(F)(F)F)c[nH]2)C1 ZINC001137020139 972328052 /nfs/dbraw/zinc/32/80/52/972328052.db2.gz DVVCKBCVKCOJFS-MRVPVSSYSA-N 1 2 247.264 2.660 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cc2nc(C(F)(F)F)c[nH]2)C1 ZINC001137020139 972328055 /nfs/dbraw/zinc/32/80/55/972328055.db2.gz DVVCKBCVKCOJFS-MRVPVSSYSA-N 1 2 247.264 2.660 20 0 BFADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1C ZINC001143387931 958213805 /nfs/dbraw/zinc/21/38/05/958213805.db2.gz XHBWPABFPJVHBC-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1C ZINC001143387931 958213810 /nfs/dbraw/zinc/21/38/10/958213810.db2.gz XHBWPABFPJVHBC-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO O=C(C[N@@H+]1C[C@H]2CCCC[C@H]21)c1ccccc1F ZINC000706814144 958230150 /nfs/dbraw/zinc/23/01/50/958230150.db2.gz XFOALTBOQRFMKD-BXUZGUMPSA-N 1 2 247.313 2.883 20 0 BFADLO O=C(C[N@H+]1C[C@H]2CCCC[C@H]21)c1ccccc1F ZINC000706814144 958230158 /nfs/dbraw/zinc/23/01/58/958230158.db2.gz XFOALTBOQRFMKD-BXUZGUMPSA-N 1 2 247.313 2.883 20 0 BFADLO Cc1c[nH+]cc(Nc2c(N)cccc2O)c1C ZINC001213534076 958260548 /nfs/dbraw/zinc/26/05/48/958260548.db2.gz LCVSXVYVERBAEY-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCCCCC[C@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246460427 972333080 /nfs/dbraw/zinc/33/30/80/972333080.db2.gz MPSDHUOZBSQWOA-RYUDHWBXSA-N 1 2 248.361 2.932 20 0 BFADLO CCCCCC[C@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246460427 972333082 /nfs/dbraw/zinc/33/30/82/972333082.db2.gz MPSDHUOZBSQWOA-RYUDHWBXSA-N 1 2 248.361 2.932 20 0 BFADLO CCCC1CCC(N[C@H]2C[NH2+]CC2(F)F)CC1 ZINC001246467335 972344299 /nfs/dbraw/zinc/34/42/99/972344299.db2.gz ZBMHVBSMQWAZEX-MCIGGMRASA-N 1 2 246.345 2.542 20 0 BFADLO CCCC1CCC([NH2+][C@H]2CNCC2(F)F)CC1 ZINC001246467335 972344305 /nfs/dbraw/zinc/34/43/05/972344305.db2.gz ZBMHVBSMQWAZEX-MCIGGMRASA-N 1 2 246.345 2.542 20 0 BFADLO COc1ccc(F)c(C[NH+](C)C)c1Cl ZINC001143364623 972345498 /nfs/dbraw/zinc/34/54/98/972345498.db2.gz GILVWBNRCCKVMW-UHFFFAOYSA-N 1 2 217.671 2.549 20 0 BFADLO CCCC1CCC(N[C@@H]2C[NH2+]CC2(F)F)CC1 ZINC001246467334 972345584 /nfs/dbraw/zinc/34/55/84/972345584.db2.gz ZBMHVBSMQWAZEX-HTAVTVPLSA-N 1 2 246.345 2.542 20 0 BFADLO CCCC1CCC([NH2+][C@@H]2CNCC2(F)F)CC1 ZINC001246467334 972345589 /nfs/dbraw/zinc/34/55/89/972345589.db2.gz ZBMHVBSMQWAZEX-HTAVTVPLSA-N 1 2 246.345 2.542 20 0 BFADLO COC(C)(C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000319398861 972351629 /nfs/dbraw/zinc/35/16/29/972351629.db2.gz CUJJRXVBVQKSFS-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]1C ZINC001143404844 958515370 /nfs/dbraw/zinc/51/53/70/958515370.db2.gz REPOLKHJIUMYFV-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222135296 972376643 /nfs/dbraw/zinc/37/66/43/972376643.db2.gz XMPCABYXIGEAFP-UPJWGTAASA-N 1 2 222.332 2.724 20 0 BFADLO c1cn(CCO[C@H]2CCc3ccccc32)c[nH+]1 ZINC001222130027 972377342 /nfs/dbraw/zinc/37/73/42/972377342.db2.gz XHLGCTNGMYSKCX-AWEZNQCLSA-N 1 2 228.295 2.587 20 0 BFADLO C[C@H](OCCn1cc[nH+]c1)c1cccs1 ZINC001222129150 972378768 /nfs/dbraw/zinc/37/87/68/972378768.db2.gz MAVRZWPXVRKWJR-JTQLQIEISA-N 1 2 222.313 2.722 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@H](OCCn2cc[nH+]c2)C1 ZINC001222135190 972379014 /nfs/dbraw/zinc/37/90/14/972379014.db2.gz XMPCABYXIGEAFP-JHJVBQTASA-N 1 2 222.332 2.724 20 0 BFADLO C[C@H]1C[C@H](OCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC001222134477 972382417 /nfs/dbraw/zinc/38/24/17/972382417.db2.gz DHNJUFIUBJQLAU-ITGUQSILSA-N 1 2 222.332 2.724 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2cnsn2)cc1 ZINC000399771711 958958427 /nfs/dbraw/zinc/95/84/27/958958427.db2.gz GGKXOHQKBJBKNG-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2C)nn1C ZINC001327068546 972390298 /nfs/dbraw/zinc/39/02/98/972390298.db2.gz PVKDDRAOVFRJRN-GFCCVEGCSA-N 1 2 244.342 2.913 20 0 BFADLO Cc1cccc(C)c1NCc1cc[nH+]c(N)c1 ZINC001167616835 959082898 /nfs/dbraw/zinc/08/28/98/959082898.db2.gz AOWFMQIXUQDQHC-UHFFFAOYSA-N 1 2 227.311 2.893 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(CO)c(C)c2)[nH+]1 ZINC001211573296 959286607 /nfs/dbraw/zinc/28/66/07/959286607.db2.gz UDVSGZAJYILORT-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@@H](C)[C@H]1C ZINC000405638882 959480702 /nfs/dbraw/zinc/48/07/02/959480702.db2.gz VEHVKSYTLQBHSZ-TYNCELHUSA-N 1 2 248.370 2.896 20 0 BFADLO Clc1ccc(Cn2cc[nH+]c2)c(Cl)n1 ZINC000236063997 959829002 /nfs/dbraw/zinc/82/90/02/959829002.db2.gz LFQXKQKDSNZGEH-UHFFFAOYSA-N 1 2 228.082 2.633 20 0 BFADLO Oc1ccc(C[NH+]2C3CCC2CC3)c(F)c1F ZINC001140894354 960058042 /nfs/dbraw/zinc/05/80/42/960058042.db2.gz VNVFEWFJZHJLEQ-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cnco1 ZINC001140932622 960098703 /nfs/dbraw/zinc/09/87/03/960098703.db2.gz VVAYRFWHCXDXTK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cnco1 ZINC001140932622 960098715 /nfs/dbraw/zinc/09/87/15/960098715.db2.gz VVAYRFWHCXDXTK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1cc(Cl)ccn1 ZINC000092407391 960130146 /nfs/dbraw/zinc/13/01/46/960130146.db2.gz NJHDOCMEPRDIKC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccn1 ZINC000092407391 960130152 /nfs/dbraw/zinc/13/01/52/960130152.db2.gz NJHDOCMEPRDIKC-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO COc1cc(F)cc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000708960930 960173945 /nfs/dbraw/zinc/17/39/45/960173945.db2.gz IQOJXAWJJKMFII-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO c1coc(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC001141011313 960198164 /nfs/dbraw/zinc/19/81/64/960198164.db2.gz XPULZRJWFAJOND-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO c1coc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC001141011313 960198171 /nfs/dbraw/zinc/19/81/71/960198171.db2.gz XPULZRJWFAJOND-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO Cc1ccncc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001141031435 960221598 /nfs/dbraw/zinc/22/15/98/960221598.db2.gz OYYWDYUAHQLPSM-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccncc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001141031435 960221608 /nfs/dbraw/zinc/22/16/08/960221608.db2.gz OYYWDYUAHQLPSM-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Nc1ccc(F)c(C[NH+]2CC3(CCC3)C2)c1F ZINC001222447260 972489073 /nfs/dbraw/zinc/48/90/73/972489073.db2.gz NYRLTYADDPHPMT-UHFFFAOYSA-N 1 2 238.281 2.533 20 0 BFADLO c1sc2ccccc2c1C[NH+]1CC2(CCO2)C1 ZINC001140638913 960470050 /nfs/dbraw/zinc/47/00/50/960470050.db2.gz FRXADESINOBJQZ-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO Oc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(F)c1F ZINC001140892472 960670101 /nfs/dbraw/zinc/67/01/01/960670101.db2.gz ONVVENJRRWWYKE-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(F)c1F ZINC001140892472 960670107 /nfs/dbraw/zinc/67/01/07/960670107.db2.gz ONVVENJRRWWYKE-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222594294 960720864 /nfs/dbraw/zinc/72/08/64/960720864.db2.gz DJMQLQBOEXIZRZ-WZRBSPASSA-N 1 2 222.332 2.761 20 0 BFADLO CCOc1c(F)cc(C[N@H+](C)CCF)cc1F ZINC001144036712 972531630 /nfs/dbraw/zinc/53/16/30/972531630.db2.gz RBRVUDQOTJQFFW-UHFFFAOYSA-N 1 2 247.260 2.765 20 0 BFADLO CCOc1c(F)cc(C[N@@H+](C)CCF)cc1F ZINC001144036712 972531646 /nfs/dbraw/zinc/53/16/46/972531646.db2.gz RBRVUDQOTJQFFW-UHFFFAOYSA-N 1 2 247.260 2.765 20 0 BFADLO Cc1ncoc1C[N@H+](Cc1ccco1)C1CC1 ZINC001141053296 960844846 /nfs/dbraw/zinc/84/48/46/960844846.db2.gz BUVKTFVLYAKEHN-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1ncoc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001141053296 960844848 /nfs/dbraw/zinc/84/48/48/960844848.db2.gz BUVKTFVLYAKEHN-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO CCCCc1[nH]cc(CN2CCC[C@@H](F)C2)[nH+]1 ZINC001141069771 960856833 /nfs/dbraw/zinc/85/68/33/960856833.db2.gz CSNKOZBULHIKTE-LLVKDONJSA-N 1 2 239.338 2.686 20 0 BFADLO CCCCc1[nH]c(CN2CCC[C@@H](F)C2)c[nH+]1 ZINC001141069771 960856843 /nfs/dbraw/zinc/85/68/43/960856843.db2.gz CSNKOZBULHIKTE-LLVKDONJSA-N 1 2 239.338 2.686 20 0 BFADLO CC1(C)C[N@H+](Cc2cocn2)CCC1(F)F ZINC001141126392 960872619 /nfs/dbraw/zinc/87/26/19/960872619.db2.gz KKLRXNBVPFABNW-UHFFFAOYSA-N 1 2 230.258 2.542 20 0 BFADLO CC1(C)C[N@@H+](Cc2cocn2)CCC1(F)F ZINC001141126392 960872629 /nfs/dbraw/zinc/87/26/29/960872629.db2.gz KKLRXNBVPFABNW-UHFFFAOYSA-N 1 2 230.258 2.542 20 0 BFADLO CC[N@H+](Cc1ncc(Cl)nc1Cl)C1CC1 ZINC001141133724 960888017 /nfs/dbraw/zinc/88/80/17/960888017.db2.gz XGQOKGMMGDTBCM-UHFFFAOYSA-N 1 2 246.141 2.768 20 0 BFADLO CC[N@@H+](Cc1ncc(Cl)nc1Cl)C1CC1 ZINC001141133724 960888034 /nfs/dbraw/zinc/88/80/34/960888034.db2.gz XGQOKGMMGDTBCM-UHFFFAOYSA-N 1 2 246.141 2.768 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)c(F)c1 ZINC001141192764 960922050 /nfs/dbraw/zinc/92/20/50/960922050.db2.gz PBRXKHPMMWNRSB-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)c(F)c1 ZINC001141192764 960922088 /nfs/dbraw/zinc/92/20/88/960922088.db2.gz PBRXKHPMMWNRSB-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(C)cc1F)C2 ZINC001141195977 960927012 /nfs/dbraw/zinc/92/70/12/960927012.db2.gz IAJCOAXMDLWHNQ-ZFWWWQNUSA-N 1 2 249.329 2.887 20 0 BFADLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(C)cc1F)C2 ZINC001141195977 960927049 /nfs/dbraw/zinc/92/70/49/960927049.db2.gz IAJCOAXMDLWHNQ-ZFWWWQNUSA-N 1 2 249.329 2.887 20 0 BFADLO COc1ccc(C(F)(F)F)cc1C[NH+]1CCC1 ZINC001141200362 960941089 /nfs/dbraw/zinc/94/10/89/960941089.db2.gz QTLNLPZVRGJFDZ-UHFFFAOYSA-N 1 2 245.244 2.920 20 0 BFADLO Cc1ccc(Nc2cccc(CCO)c2)[nH+]c1 ZINC001203106253 960984878 /nfs/dbraw/zinc/98/48/78/960984878.db2.gz LFXAUELPFXCONG-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO Cc1cc2cc(NC3(CO)CCCC3)[nH+]cc2[nH]1 ZINC001167802223 961035137 /nfs/dbraw/zinc/03/51/37/961035137.db2.gz PGSAWUSZAKOWHA-UHFFFAOYSA-N 1 2 245.326 2.588 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2N(C)C)cc1O ZINC001211695803 961109798 /nfs/dbraw/zinc/10/97/98/961109798.db2.gz WBFIRRHYBZCIRV-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CCCOCCNc1cc2cc(C)[nH]c2c[nH+]1 ZINC001167872552 961380581 /nfs/dbraw/zinc/38/05/81/961380581.db2.gz MGAKNTZBZDTEEP-UHFFFAOYSA-N 1 2 233.315 2.710 20 0 BFADLO Cc1nc2c(s1)C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631555 961402102 /nfs/dbraw/zinc/40/21/02/961402102.db2.gz JDGZLIMXBXJHMF-TUAOUCFPSA-N 1 2 246.379 2.979 20 0 BFADLO Cc1nc2c(s1)C[N@@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631555 961402116 /nfs/dbraw/zinc/40/21/16/961402116.db2.gz JDGZLIMXBXJHMF-TUAOUCFPSA-N 1 2 246.379 2.979 20 0 BFADLO Cc1nc(NCC(C)(F)F)cc(C(C)C)[nH+]1 ZINC000709816570 961627531 /nfs/dbraw/zinc/62/75/31/961627531.db2.gz LUKQBBVSJBXZKG-UHFFFAOYSA-N 1 2 229.274 2.976 20 0 BFADLO CC[NH+]1CC(Oc2ccccc2OC(C)C)C1 ZINC001225210226 961871731 /nfs/dbraw/zinc/87/17/31/961871731.db2.gz ZMGYTPGEXILOQQ-UHFFFAOYSA-N 1 2 235.327 2.557 20 0 BFADLO Fc1ccc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204951759 962178275 /nfs/dbraw/zinc/17/82/75/962178275.db2.gz ZQCTXSFSPAAIGU-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO COc1cccnc1C[N@H+](C)Cc1ccsc1 ZINC001206650274 962638390 /nfs/dbraw/zinc/63/83/90/962638390.db2.gz DKMFXPADSUFFGC-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccnc1C[N@@H+](C)Cc1ccsc1 ZINC001206650274 962638396 /nfs/dbraw/zinc/63/83/96/962638396.db2.gz DKMFXPADSUFFGC-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO CCCCNc1[nH+]cccc1/C=C/C(=O)OCC ZINC001154827835 962859785 /nfs/dbraw/zinc/85/97/85/962859785.db2.gz SPTVXFZKRBZOBN-CMDGGOBGSA-N 1 2 248.326 2.870 20 0 BFADLO CSCc1ccc(NC2CC(F)C2)[nH+]c1 ZINC001154844226 962869261 /nfs/dbraw/zinc/86/92/61/962869261.db2.gz WLAJSIIHUFTANQ-UHFFFAOYSA-N 1 2 226.320 2.857 20 0 BFADLO Cc1cc(NCC(F)(F)F)[nH+]c2cc[nH]c21 ZINC001161632889 962884733 /nfs/dbraw/zinc/88/47/33/962884733.db2.gz RNGBTADMSZGFFF-UHFFFAOYSA-N 1 2 229.205 2.846 20 0 BFADLO Cc1nc(NC(C)(C)C2CC2)c2c([nH+]1)CCC2 ZINC001155068284 962956685 /nfs/dbraw/zinc/95/66/85/962956685.db2.gz FNYZGOCUWIASEK-UHFFFAOYSA-N 1 2 231.343 2.874 20 0 BFADLO COc1cc(C)c[nH+]c1NC(C)(C)C1CC1 ZINC001155069200 962962628 /nfs/dbraw/zinc/96/26/28/962962628.db2.gz WNLAQFMFHCWPIF-UHFFFAOYSA-N 1 2 220.316 2.999 20 0 BFADLO COc1cc(C)c[nH+]c1NCc1ccncc1C ZINC001155220418 963032083 /nfs/dbraw/zinc/03/20/83/963032083.db2.gz SZCXWVDAHIIEEU-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC(C)CNc1ccc2[nH+]cn(C)c2c1 ZINC001161649139 963032558 /nfs/dbraw/zinc/03/25/58/963032558.db2.gz ZVEJHHKVBSIQAC-UHFFFAOYSA-N 1 2 203.289 2.641 20 0 BFADLO C[C@@H]1CN(c2ccc(C(C)(C)C)c[nH+]2)[C@H](C)CO1 ZINC001155431408 963077712 /nfs/dbraw/zinc/07/77/12/963077712.db2.gz IRHMBQAATFLNQU-VXGBXAGGSA-N 1 2 248.370 2.993 20 0 BFADLO CCSc1cc[nH+]c(NCc2cccnn2)c1 ZINC001156610233 963411246 /nfs/dbraw/zinc/41/12/46/963411246.db2.gz HLDBKGLWRNPRIG-UHFFFAOYSA-N 1 2 246.339 2.596 20 0 BFADLO Cc1ccc(Cl)c(NCc2cc[nH+]c(N)c2)n1 ZINC001156756368 963453815 /nfs/dbraw/zinc/45/38/15/963453815.db2.gz WEOCVKMGFSPGKQ-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1ccc(N2CCc3c2cccc3N)c(C)[nH+]1 ZINC001203379528 963521988 /nfs/dbraw/zinc/52/19/88/963521988.db2.gz BZDTXBFVQJRZAA-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO [NH2+]=CNc1cc(-c2ccnc(Cl)c2)ccn1 ZINC001157073414 963523351 /nfs/dbraw/zinc/52/33/51/963523351.db2.gz KTLIIQPHPWIKGS-UHFFFAOYSA-N 1 2 232.674 2.816 20 0 BFADLO C=Cc1ccc(NC[C@H]2C[C@H](F)C2)[nH+]c1 ZINC001157457165 963618465 /nfs/dbraw/zinc/61/84/65/963618465.db2.gz ZAHJOUBLEUUFKV-XYPYZODXSA-N 1 2 206.264 2.885 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC1CC(=O)C1 ZINC001157608354 963677054 /nfs/dbraw/zinc/67/70/54/963677054.db2.gz VXEMKVNDENJWQG-UHFFFAOYSA-N 1 2 240.306 2.934 20 0 BFADLO C=Cc1ccc(NC[C@H]2CC(C)(C)O2)[nH+]c1 ZINC001157660950 963694128 /nfs/dbraw/zinc/69/41/28/963694128.db2.gz OOXGBQOOFDTFIN-LLVKDONJSA-N 1 2 218.300 2.704 20 0 BFADLO COc1cc(C)c[nH+]c1NCCCOC(C)C ZINC001157870787 963753657 /nfs/dbraw/zinc/75/36/57/963753657.db2.gz PTKKZOVGCVBCIE-UHFFFAOYSA-N 1 2 238.331 2.626 20 0 BFADLO CCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001168130829 963813450 /nfs/dbraw/zinc/81/34/50/963813450.db2.gz RQFRKZYLSHUTNX-UHFFFAOYSA-N 1 2 201.273 2.694 20 0 BFADLO CCC[NH2+]c1ccc2c(c1)C1(CN2)CCOCC1 ZINC001168132496 963821852 /nfs/dbraw/zinc/82/18/52/963821852.db2.gz PQYOBPJQZNFBJE-UHFFFAOYSA-N 1 2 246.354 2.982 20 0 BFADLO F[C@H]1C[C@H](CNc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001168238101 964024714 /nfs/dbraw/zinc/02/47/14/964024714.db2.gz UCPIFXXAVSQFPP-HAQNSBGRSA-N 1 2 249.333 2.842 20 0 BFADLO COc1cc(C)c[nH+]c1NCOc1ccccc1 ZINC001159705432 964159321 /nfs/dbraw/zinc/15/93/21/964159321.db2.gz ZYLJAWMTYQZVJP-UHFFFAOYSA-N 1 2 244.294 2.847 20 0 BFADLO Cc1ccc(-c2noc(C[NH+]3CCC3)n2)c(C)c1 ZINC001212093415 964253847 /nfs/dbraw/zinc/25/38/47/964253847.db2.gz VBATUYUGPKTGCQ-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO Cc1ccc(-c2noc(C[NH+]3CCC3)n2)cc1C ZINC001212093156 964255442 /nfs/dbraw/zinc/25/54/42/964255442.db2.gz IXHKMIFMTUEBOT-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO COC(=O)C[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC001160525685 964323059 /nfs/dbraw/zinc/32/30/59/964323059.db2.gz LIONEKYOHGVFBT-JTQLQIEISA-N 1 2 244.294 2.598 20 0 BFADLO C[C@@H](CO)CCNc1cc2ccccc2c[nH+]1 ZINC001160602271 964351614 /nfs/dbraw/zinc/35/16/14/964351614.db2.gz HBQWXJFQXJUDOM-LLVKDONJSA-N 1 2 230.311 2.665 20 0 BFADLO CSc1c[nH+]c(NCC[C@@H](C)CO)c(C)c1 ZINC001160608270 964358182 /nfs/dbraw/zinc/35/81/82/964358182.db2.gz SEISHMIBMPQLGB-SECBINFHSA-N 1 2 240.372 2.542 20 0 BFADLO C[NH+](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC001142534680 964374710 /nfs/dbraw/zinc/37/47/10/964374710.db2.gz SEGQANGTQVOCBE-UHFFFAOYSA-N 1 2 238.640 2.815 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2[nH]cnc21 ZINC001213026993 964420673 /nfs/dbraw/zinc/42/06/73/964420673.db2.gz CDWYHNXLKIKBGA-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO CCCN(CCC)C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001160869184 964427751 /nfs/dbraw/zinc/42/77/51/964427751.db2.gz WSXSWCIOOJIFSD-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO c1cc2c(Nc3cccc4[nH+]c[nH]c43)cccn2n1 ZINC001213030443 964543657 /nfs/dbraw/zinc/54/36/57/964543657.db2.gz BELCIQGKGISRKQ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1cc[nH+]c(C)c1NCC(F)(F)F ZINC001161630500 964650674 /nfs/dbraw/zinc/65/06/74/964650674.db2.gz JVZBTGFBNBYNDB-UHFFFAOYSA-N 1 2 204.195 2.673 20 0 BFADLO CSc1cc[nH+]c(N[C@@H]2CCO[C@@H](C)C2)c1 ZINC001161694877 964690655 /nfs/dbraw/zinc/69/06/55/964690655.db2.gz AODPOMYFRKCVMP-VHSXEESVSA-N 1 2 238.356 2.783 20 0 BFADLO CSc1c[nH+]c(NCCc2cnoc2)c(C)c1 ZINC001161701911 964700794 /nfs/dbraw/zinc/70/07/94/964700794.db2.gz GVCWCEQWGSLAFQ-UHFFFAOYSA-N 1 2 249.339 2.755 20 0 BFADLO CN(C)c1ccc(NCCC(F)(F)F)[nH+]c1 ZINC001161825104 964775553 /nfs/dbraw/zinc/77/55/53/964775553.db2.gz BRZHENQWQZQREG-UHFFFAOYSA-N 1 2 233.237 2.512 20 0 BFADLO CC(C)(C)[N@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC001203195533 964805240 /nfs/dbraw/zinc/80/52/40/964805240.db2.gz GXIQXCLQUJHCCP-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO CC(C)(C)[N@@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC001203195533 964805244 /nfs/dbraw/zinc/80/52/44/964805244.db2.gz GXIQXCLQUJHCCP-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO CC(C)(C)[N@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC001203195533 964805251 /nfs/dbraw/zinc/80/52/51/964805251.db2.gz GXIQXCLQUJHCCP-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO CC(C)(C)[N@@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC001203195533 964805253 /nfs/dbraw/zinc/80/52/53/964805253.db2.gz GXIQXCLQUJHCCP-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO Cc1nc(NCc2nc3ccccc3o2)cc[nH+]1 ZINC001161968651 964839424 /nfs/dbraw/zinc/83/94/24/964839424.db2.gz DKHDKGASJNBVCX-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO Cc1ncc(CNc2cc3cc[nH]c3c[nH+]2)s1 ZINC001162152177 964857541 /nfs/dbraw/zinc/85/75/41/964857541.db2.gz LNPFROAANHFBAX-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](CO)CC(C)C)c1C ZINC001162370822 964947205 /nfs/dbraw/zinc/94/72/05/964947205.db2.gz MQEMXYXNCOSXKY-GFCCVEGCSA-N 1 2 222.332 2.517 20 0 BFADLO Cc1ncc(-n2c(C)[nH+]c3ccc(N)cc32)s1 ZINC001212135322 964960154 /nfs/dbraw/zinc/96/01/54/964960154.db2.gz KUXKVGNNIDWVHJ-UHFFFAOYSA-N 1 2 244.323 2.681 20 0 BFADLO CCc1cc(NCCn2cccc2)nc(CC)[nH+]1 ZINC001162637224 965078395 /nfs/dbraw/zinc/07/83/95/965078395.db2.gz GPWNIESGMQFVRA-UHFFFAOYSA-N 1 2 244.342 2.515 20 0 BFADLO Nc1cn(-c2cc[nH+]cc2Cl)c2cccnc12 ZINC001212147755 965082284 /nfs/dbraw/zinc/08/22/84/965082284.db2.gz JQBRCQGIAOSDJU-UHFFFAOYSA-N 1 2 244.685 2.656 20 0 BFADLO CC[C@@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC000587955432 965089774 /nfs/dbraw/zinc/08/97/74/965089774.db2.gz JBXSVYUZMNIHII-SSDOTTSWSA-N 1 2 218.256 2.805 20 0 BFADLO COC1CC(CNc2cc(SC)cc[nH+]2)C1 ZINC001162993683 965223521 /nfs/dbraw/zinc/22/35/21/965223521.db2.gz OXJKRMKSUUARKW-UHFFFAOYSA-N 1 2 238.356 2.640 20 0 BFADLO CC[C@@H](CO)Nc1cc(-c2ccccc2)cc[nH+]1 ZINC001163043270 965236425 /nfs/dbraw/zinc/23/64/25/965236425.db2.gz RKNMSQXOXKYJFZ-AWEZNQCLSA-N 1 2 242.322 2.931 20 0 BFADLO COc1cc[nH+]c(Nc2cnc(F)c(C)c2)c1 ZINC001212175883 965248977 /nfs/dbraw/zinc/24/89/77/965248977.db2.gz JEKVYMAUZXHCQW-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO Cc1cc(N[C@H](C)c2ccno2)nc(C2CC2)[nH+]1 ZINC001163215412 965307476 /nfs/dbraw/zinc/30/74/76/965307476.db2.gz NBMPRFWIZYGYIQ-SECBINFHSA-N 1 2 244.298 2.824 20 0 BFADLO CC(C)c1ccc(N2CCCC[C@H]2CO)[nH+]c1 ZINC001163553131 965445898 /nfs/dbraw/zinc/44/58/98/965445898.db2.gz ODSSOKFZQFCQAW-ZDUSSCGKSA-N 1 2 234.343 2.556 20 0 BFADLO CC(C)N(c1ccc(Cl)c(N)[nH+]1)C(C)C ZINC001163575903 965456825 /nfs/dbraw/zinc/45/68/25/965456825.db2.gz AHISRUQQXFHPOV-UHFFFAOYSA-N 1 2 227.739 2.940 20 0 BFADLO CCCN(CC)c1nc(C)[nH+]c(C)c1C ZINC001163606947 965478862 /nfs/dbraw/zinc/47/88/62/965478862.db2.gz SALKMMNFFPESFM-UHFFFAOYSA-N 1 2 207.321 2.638 20 0 BFADLO CSCc1cc[nH+]c(N(C)C(C)C)c1 ZINC001163622425 965484958 /nfs/dbraw/zinc/48/49/58/965484958.db2.gz KXNACMXNBADXFD-UHFFFAOYSA-N 1 2 210.346 2.789 20 0 BFADLO CC1(C)C[NH+](Cc2c[nH]c(Br)c2)C1 ZINC001233434409 965498802 /nfs/dbraw/zinc/49/88/02/965498802.db2.gz NIVKCHSNCRYGGN-UHFFFAOYSA-N 1 2 243.148 2.619 20 0 BFADLO Cc1[nH+]cccc1NCCc1cccc(O)c1 ZINC001163702846 965521682 /nfs/dbraw/zinc/52/16/82/965521682.db2.gz GPYWEJAVENIRSH-UHFFFAOYSA-N 1 2 228.295 2.750 20 0 BFADLO CSc1cc[nH+]c(N(C)CC(F)(F)F)c1 ZINC001163710965 965527314 /nfs/dbraw/zinc/52/73/14/965527314.db2.gz RQFLSSXTLIVYGY-UHFFFAOYSA-N 1 2 236.262 2.802 20 0 BFADLO Cc1c(F)cc[nH+]c1N(C)C1CC(F)(F)C1 ZINC001163767909 965573403 /nfs/dbraw/zinc/57/34/03/965573403.db2.gz CFMGZZPMYUCRSJ-UHFFFAOYSA-N 1 2 230.233 2.763 20 0 BFADLO Cc1c[nH+]cc(NCc2ccccc2N)c1C ZINC001163889285 965618480 /nfs/dbraw/zinc/61/84/80/965618480.db2.gz GQQYVDNCHMHJFY-UHFFFAOYSA-N 1 2 227.311 2.893 20 0 BFADLO CCCc1cc(N2CC(F)(C3CC3)C2)nc(C)[nH+]1 ZINC001163968740 965664422 /nfs/dbraw/zinc/66/44/22/965664422.db2.gz AOJPUZMBLXYUFX-UHFFFAOYSA-N 1 2 249.333 2.676 20 0 BFADLO Cn1c[nH+]c2ccc(NC3(C)CCC3)cc21 ZINC001164031802 965705271 /nfs/dbraw/zinc/70/52/71/965705271.db2.gz CBLLKKHEUXNINP-UHFFFAOYSA-N 1 2 215.300 2.928 20 0 BFADLO COc1cc(C)c[nH+]c1N1CC[C@@H](C)[C@H](F)C1 ZINC001164177765 965780057 /nfs/dbraw/zinc/78/00/57/965780057.db2.gz OVNLVEHRLAIYBZ-GHMZBOCLSA-N 1 2 238.306 2.583 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)CCC[C@H]1O ZINC001164231558 965805739 /nfs/dbraw/zinc/80/57/39/965805739.db2.gz VELQLELXPHFAHC-BXUZGUMPSA-N 1 2 246.354 2.556 20 0 BFADLO Cc1cc(NCCn2cccc2)[nH+]c2cc[nH]c21 ZINC001164458136 965891528 /nfs/dbraw/zinc/89/15/28/965891528.db2.gz NSAFZIJPDGIHKN-UHFFFAOYSA-N 1 2 240.310 2.785 20 0 BFADLO CC(C)c1ccc(N2CC[C@@H]3COC[C@@H]3C2)[nH+]c1 ZINC001165268968 966015432 /nfs/dbraw/zinc/01/54/32/966015432.db2.gz DXRFIYQFFJCQCA-KGLIPLIRSA-N 1 2 246.354 2.678 20 0 BFADLO COc1cc(C)c[nH+]c1N1CCC12CCCC2 ZINC001165280285 966022453 /nfs/dbraw/zinc/02/24/53/966022453.db2.gz RDZOTABLTGWUBE-UHFFFAOYSA-N 1 2 232.327 2.922 20 0 BFADLO CCOc1ccc[nH+]c1NCC(C)(F)F ZINC000829299934 966049341 /nfs/dbraw/zinc/04/93/41/966049341.db2.gz DHIPCEHDPYJDRL-UHFFFAOYSA-N 1 2 216.231 2.547 20 0 BFADLO CC[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235415621 966057579 /nfs/dbraw/zinc/05/75/79/966057579.db2.gz YQHYLSLECWSKSW-LLVKDONJSA-N 1 2 239.750 2.895 20 0 BFADLO CC[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235415621 966057590 /nfs/dbraw/zinc/05/75/90/966057590.db2.gz YQHYLSLECWSKSW-LLVKDONJSA-N 1 2 239.750 2.895 20 0 BFADLO Nc1[nH+]cccc1-c1cc(O)cc(Cl)c1 ZINC001235903841 966151296 /nfs/dbraw/zinc/15/12/96/966151296.db2.gz JIUFHCXCOSJUEL-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Cc1ccc2cc(N[C@@H](C)CCO)[nH+]cc2c1 ZINC001165869280 966184297 /nfs/dbraw/zinc/18/42/97/966184297.db2.gz YFLSKDNVMXBPIN-NSHDSACASA-N 1 2 230.311 2.726 20 0 BFADLO Clc1cc(C[NH+]2CC3(C2)CCOC3)cs1 ZINC001142759940 966234284 /nfs/dbraw/zinc/23/42/84/966234284.db2.gz AVRVXWLPAFKXGK-UHFFFAOYSA-N 1 2 243.759 2.624 20 0 BFADLO CC1(Cn2c[nH+]c(Cc3ccccc3)c2)COC1 ZINC000919143312 966293407 /nfs/dbraw/zinc/29/34/07/966293407.db2.gz GYFYJUCTUSUZSP-UHFFFAOYSA-N 1 2 242.322 2.510 20 0 BFADLO CC(C)N(CC1CC1)c1ccc(Cl)c(N)[nH+]1 ZINC001166620077 966338467 /nfs/dbraw/zinc/33/84/67/966338467.db2.gz JTVFWTMJPQCZBZ-UHFFFAOYSA-N 1 2 239.750 2.942 20 0 BFADLO CC1(c2ccc(-c3ccc(N)[nH+]c3)cc2)COC1 ZINC001236313283 966364170 /nfs/dbraw/zinc/36/41/70/966364170.db2.gz LGPSWVCHJGUEOM-UHFFFAOYSA-N 1 2 240.306 2.619 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CCCCC23COC3)c1 ZINC001166695779 966369581 /nfs/dbraw/zinc/36/95/81/966369581.db2.gz GUUZQDHQNGQUQT-UHFFFAOYSA-N 1 2 244.338 2.718 20 0 BFADLO Cc1cc(C)c(Nc2cc[nH]c(=O)c2)c[nH+]1 ZINC001212267352 966388861 /nfs/dbraw/zinc/38/88/61/966388861.db2.gz NJSYJDSRHZMCRU-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCc1cn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c[nH+]1 ZINC001166822463 966425889 /nfs/dbraw/zinc/42/58/89/966425889.db2.gz LOWXMIMNYYHDLW-QJPTWQEYSA-N 1 2 202.301 2.658 20 0 BFADLO Cc1ccc(Nc2ccc(F)c(N)c2)[nH+]c1 ZINC001212328054 966488166 /nfs/dbraw/zinc/48/81/66/966488166.db2.gz IZICQROLXSSRJM-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(F)c(N)c1 ZINC001212328387 966488905 /nfs/dbraw/zinc/48/89/05/966488905.db2.gz ZZBIKHPNUNFRMX-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO CC(C)n1ccc(Nc2[nH+]cccc2N)c1 ZINC001203158444 966537388 /nfs/dbraw/zinc/53/73/88/966537388.db2.gz AYWIAKZNPVMUOA-UHFFFAOYSA-N 1 2 216.288 2.790 20 0 BFADLO COC(=O)c1occc1Nc1ccc(C)[nH+]c1C ZINC001203367918 966607356 /nfs/dbraw/zinc/60/73/56/966607356.db2.gz QKSYDFJADKWUAF-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO CCOc1nccnc1Nc1ccc(C)[nH+]c1C ZINC001203367921 966616623 /nfs/dbraw/zinc/61/66/23/966616623.db2.gz QOUJLKATUMVZRB-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1ccc(Nc2ncccc2N(C)C)c(C)[nH+]1 ZINC001203368594 966617035 /nfs/dbraw/zinc/61/70/35/966617035.db2.gz AZFSVTRIBAEGEX-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1ccc(Nc2cnsc2)c(C)[nH+]1 ZINC001203368915 966618186 /nfs/dbraw/zinc/61/81/86/966618186.db2.gz HEPZIZRKLUGFCZ-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CCn1cnc(Nc2ccc(C)[nH+]c2C)c1 ZINC001203370286 966620023 /nfs/dbraw/zinc/62/00/23/966620023.db2.gz ZBXYZGGUPQMSQU-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO Cc1ccc(Nc2cc(N)ccc2O)c(C)[nH+]1 ZINC001203373950 966620127 /nfs/dbraw/zinc/62/01/27/966620127.db2.gz CJJCTUHKFSNOBB-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO COc1ncc(Nc2c[nH+]c(C)cc2C)cc1F ZINC001203400891 966639610 /nfs/dbraw/zinc/63/96/10/966639610.db2.gz PKPRZRDNDNOHHY-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CNc1ccc(Nc2c(C)cc[nH+]c2C)cn1 ZINC001203448820 966647485 /nfs/dbraw/zinc/64/74/85/966647485.db2.gz LVWGYUATHUQAHK-UHFFFAOYSA-N 1 2 228.299 2.879 20 0 BFADLO CNc1ccc(Nc2cnn(C(C)(C)C)c2)c[nH+]1 ZINC001203448727 966648411 /nfs/dbraw/zinc/64/84/11/966648411.db2.gz HDRIYEPRFCCNEX-UHFFFAOYSA-N 1 2 245.330 2.818 20 0 BFADLO CNc1ccc(-n2ccc3c2cccc3N)c[nH+]1 ZINC001203456589 966652056 /nfs/dbraw/zinc/65/20/56/966652056.db2.gz LLVYGSVTEPKLGB-UHFFFAOYSA-N 1 2 238.294 2.649 20 0 BFADLO CNc1ccc(Nc2c(O)cccc2F)c[nH+]1 ZINC001203456716 966659040 /nfs/dbraw/zinc/65/90/40/966659040.db2.gz SHVVYHPHKOUINL-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CNc1ccc(Nc2ccccc2N(C)C)c[nH+]1 ZINC001203456688 966659116 /nfs/dbraw/zinc/65/91/16/966659116.db2.gz QQIMDMREQXVMFO-UHFFFAOYSA-N 1 2 242.326 2.933 20 0 BFADLO Oc1ccc(Cl)c(C[NH2+]Cc2ccoc2)c1 ZINC001203497653 966660412 /nfs/dbraw/zinc/66/04/12/966660412.db2.gz TZAYUBYSZNXTFS-UHFFFAOYSA-N 1 2 237.686 2.928 20 0 BFADLO Cc1sccc1C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001237964876 966703675 /nfs/dbraw/zinc/70/36/75/966703675.db2.gz PNQPOAWYWNNXRY-LLVKDONJSA-N 1 2 241.331 2.560 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001237964876 966703679 /nfs/dbraw/zinc/70/36/79/966703679.db2.gz PNQPOAWYWNNXRY-LLVKDONJSA-N 1 2 241.331 2.560 20 0 BFADLO Cc1nsc(Nc2cc(C)c[nH+]c2C)n1 ZINC001203653861 966718514 /nfs/dbraw/zinc/71/85/14/966718514.db2.gz WDTFAQHOTOWEEF-UHFFFAOYSA-N 1 2 220.301 2.602 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cnoc2)c1 ZINC001239183429 966841647 /nfs/dbraw/zinc/84/16/47/966841647.db2.gz DWAHXXQAYGSOGM-UHFFFAOYSA-N 1 2 216.240 2.703 20 0 BFADLO CNc1ccc(Nc2ccc([C@H](C)O)cc2)c[nH+]1 ZINC001203456791 966843736 /nfs/dbraw/zinc/84/37/36/966843736.db2.gz XEYZPDPSUFGMJU-JTQLQIEISA-N 1 2 243.310 2.920 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001204009595 966848372 /nfs/dbraw/zinc/84/83/72/966848372.db2.gz ZXUIJFTXPDBRLV-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001204009595 966848377 /nfs/dbraw/zinc/84/83/77/966848377.db2.gz ZXUIJFTXPDBRLV-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)n1 ZINC001204067016 966874644 /nfs/dbraw/zinc/87/46/44/966874644.db2.gz IMMUPCXDXRKSGV-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)n1 ZINC001204067016 966874648 /nfs/dbraw/zinc/87/46/48/966874648.db2.gz IMMUPCXDXRKSGV-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO CSc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1 ZINC001204139025 966903295 /nfs/dbraw/zinc/90/32/95/966903295.db2.gz UJQRQOGHCDSPBH-UHFFFAOYSA-N 1 2 249.379 2.964 20 0 BFADLO CSc1ccc(C[N@H+]2CCCC(=O)CC2)cc1 ZINC001204139025 966903299 /nfs/dbraw/zinc/90/32/99/966903299.db2.gz UJQRQOGHCDSPBH-UHFFFAOYSA-N 1 2 249.379 2.964 20 0 BFADLO Fc1cccc(C[NH+]2CC3(CCC3)C2)c1F ZINC001204193417 966921072 /nfs/dbraw/zinc/92/10/72/966921072.db2.gz JLJMAGNAQYQHAX-UHFFFAOYSA-N 1 2 223.266 2.951 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CCC3)C2)c(F)c1 ZINC001204208508 966927921 /nfs/dbraw/zinc/92/79/21/966927921.db2.gz RLLJVVDJSRGDQL-UHFFFAOYSA-N 1 2 223.266 2.951 20 0 BFADLO O=C1CC[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@@H]12 ZINC001204241190 966934606 /nfs/dbraw/zinc/93/46/06/966934606.db2.gz ZTQYMGQEZAFVOZ-CHWSQXEVSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccoc2)[C@@H]2CCCC[C@@H]12 ZINC001204241190 966934609 /nfs/dbraw/zinc/93/46/09/966934609.db2.gz ZTQYMGQEZAFVOZ-CHWSQXEVSA-N 1 2 233.311 2.613 20 0 BFADLO C[N@H+](Cc1ccno1)Cc1cc(F)cc(F)c1 ZINC001204232355 966935804 /nfs/dbraw/zinc/93/58/04/966935804.db2.gz KSPZEFIREWPWQK-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO C[N@@H+](Cc1ccno1)Cc1cc(F)cc(F)c1 ZINC001204232355 966935808 /nfs/dbraw/zinc/93/58/08/966935808.db2.gz KSPZEFIREWPWQK-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO Cc1ccc(Nc2cnc(N)c(F)c2)c(C)[nH+]1 ZINC001249755148 967043379 /nfs/dbraw/zinc/04/33/79/967043379.db2.gz VIDGQTOGLJGSAR-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO CN(C)c1ccc(Cc2ccccc2)c[nH+]1 ZINC001249865547 967103510 /nfs/dbraw/zinc/10/35/10/967103510.db2.gz VHDZCEQQZMLOQA-UHFFFAOYSA-N 1 2 212.296 2.738 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c(F)c1 ZINC001204900419 967226281 /nfs/dbraw/zinc/22/62/81/967226281.db2.gz VIOOFWHWYJBLSD-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c(F)c1 ZINC001204900419 967226295 /nfs/dbraw/zinc/22/62/95/967226295.db2.gz VIOOFWHWYJBLSD-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO Oc1cccc(F)c1Nc1cccc2[nH+]ccn21 ZINC001249989495 967235769 /nfs/dbraw/zinc/23/57/69/967235769.db2.gz TWFWYWQVRIDOLN-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Clc1cnc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204951244 967253317 /nfs/dbraw/zinc/25/33/17/967253317.db2.gz PKDREOXFHDVYGX-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO COCc1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001239934242 967261863 /nfs/dbraw/zinc/26/18/63/967261863.db2.gz SXKLBQIPPSYHMO-UHFFFAOYSA-N 1 2 239.278 2.723 20 0 BFADLO Cc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204966453 967268278 /nfs/dbraw/zinc/26/82/78/967268278.db2.gz STNXXHMKXVBMII-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Fc1cc(Nc2ccn3cc[nH+]c3c2)c(F)cn1 ZINC001204970920 967268815 /nfs/dbraw/zinc/26/88/15/967268815.db2.gz BHLZCIHTFBGQBD-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO c1cn2ccc(Nc3ccn4cc[nH+]c4c3)cc2n1 ZINC001204970960 967270438 /nfs/dbraw/zinc/27/04/38/967270438.db2.gz DAFBYZFFMZAFMS-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1nc(Nc2ccn3cc[nH+]c3c2)cs1 ZINC001204971718 967270643 /nfs/dbraw/zinc/27/06/43/967270643.db2.gz NJVJAYKZNMUSJO-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO CC/C=C\CCCCCN1CC2(CC[N@@H+]2C)C1 ZINC001276478276 967276560 /nfs/dbraw/zinc/27/65/60/967276560.db2.gz RWJKNCGSIQLOBG-PLNGDYQASA-N 1 2 236.403 2.903 20 0 BFADLO CC/C=C\CCCCCN1CC2(CC[N@H+]2C)C1 ZINC001276478276 967276565 /nfs/dbraw/zinc/27/65/65/967276565.db2.gz RWJKNCGSIQLOBG-PLNGDYQASA-N 1 2 236.403 2.903 20 0 BFADLO Cc1n[nH]c(C)c1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001240126221 967292281 /nfs/dbraw/zinc/29/22/81/967292281.db2.gz NYRXHRLKNDNVEV-UHFFFAOYSA-N 1 2 238.294 2.879 20 0 BFADLO c1c[nH+]c(N2CCOCC2)c(C2CCCC2)c1 ZINC001250042906 967293120 /nfs/dbraw/zinc/29/31/20/967293120.db2.gz VHWGMASGEHDCGS-UHFFFAOYSA-N 1 2 232.327 2.576 20 0 BFADLO Cc1cccc(C[N@@H+]2CCn3nccc3C2)c1C ZINC001205095780 967340400 /nfs/dbraw/zinc/34/04/00/967340400.db2.gz LOJPGSYBPFWNMD-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C[N@H+]2CCn3nccc3C2)c1C ZINC001205095780 967340408 /nfs/dbraw/zinc/34/04/08/967340408.db2.gz LOJPGSYBPFWNMD-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1[nH+]cc(Cc2ccc(F)cc2F)cc1N ZINC001250098085 967366711 /nfs/dbraw/zinc/36/67/11/967366711.db2.gz YEEARDZYBPUILX-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO CC[C@@H](C)C[C@H](C)[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001168691056 967383960 /nfs/dbraw/zinc/38/39/60/967383960.db2.gz SBKNDQIQGOSCFE-ZJUUUORDSA-N 1 2 247.342 2.813 20 0 BFADLO CCn1c[nH+]cc1CN1c2ccccc2C[C@@H]1C ZINC001205143451 967389455 /nfs/dbraw/zinc/38/94/55/967389455.db2.gz LRXJSCHUCKPBHI-LBPRGKRZSA-N 1 2 241.338 2.854 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC(=O)CC2)ccc1F ZINC001205172309 967411113 /nfs/dbraw/zinc/41/11/13/967411113.db2.gz PMBSGUYUXNQGQR-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1cc(C[N@H+]2CCCC(=O)CC2)ccc1F ZINC001205172309 967411120 /nfs/dbraw/zinc/41/11/20/967411120.db2.gz PMBSGUYUXNQGQR-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO CC(C)Oc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001250135637 967418820 /nfs/dbraw/zinc/41/88/20/967418820.db2.gz HCIKTFFRTANFKL-UHFFFAOYSA-N 1 2 229.270 2.814 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cc1F ZINC001205215475 967430753 /nfs/dbraw/zinc/43/07/53/967430753.db2.gz QUACFZRXWGXYPC-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)cc1F ZINC001205215475 967430758 /nfs/dbraw/zinc/43/07/58/967430758.db2.gz QUACFZRXWGXYPC-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)cc1F ZINC001205236872 967434598 /nfs/dbraw/zinc/43/45/98/967434598.db2.gz WYTJXZBWTNMKAF-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)cc1F ZINC001205236872 967434609 /nfs/dbraw/zinc/43/46/09/967434609.db2.gz WYTJXZBWTNMKAF-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1ccnn1CC ZINC001205294844 967492432 /nfs/dbraw/zinc/49/24/32/967492432.db2.gz BGZWIGDDRUBPBB-UHFFFAOYSA-N 1 2 230.315 2.912 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1cccnc1C ZINC001205368358 967601802 /nfs/dbraw/zinc/60/18/02/967601802.db2.gz KPLTWWBANPCUHP-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO COc1ccc(Cc2c[nH+]c(C)c(N)c2)cc1 ZINC001250285049 967618333 /nfs/dbraw/zinc/61/83/33/967618333.db2.gz HHNFPGSRTLPJPL-UHFFFAOYSA-N 1 2 228.295 2.572 20 0 BFADLO COCCCc1cc(C2CC2)c[nH+]c1C ZINC001250302345 967647580 /nfs/dbraw/zinc/64/75/80/967647580.db2.gz COLLFVHNPAMORL-UHFFFAOYSA-N 1 2 205.301 2.846 20 0 BFADLO Cc1cc(NCC(F)F)[nH+]c2cc[nH]c21 ZINC001161817827 967659511 /nfs/dbraw/zinc/65/95/11/967659511.db2.gz WHMVHNXUMZQTRR-UHFFFAOYSA-N 1 2 211.215 2.548 20 0 BFADLO c1cn(Cc2ccc(Cc3ccncc3)cc2)c[nH+]1 ZINC001250312863 967665965 /nfs/dbraw/zinc/66/59/65/967665965.db2.gz BMDQKDVNHIASGQ-UHFFFAOYSA-N 1 2 249.317 2.917 20 0 BFADLO COc1cccc2[nH]c(CCn3cc[nH+]c3)cc21 ZINC001250316330 967679483 /nfs/dbraw/zinc/67/94/83/967679483.db2.gz JFITYMHVSNJCFL-UHFFFAOYSA-N 1 2 241.294 2.616 20 0 BFADLO CCCOc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250318364 967684755 /nfs/dbraw/zinc/68/47/55/967684755.db2.gz DXVJPDJNGXNLCN-UHFFFAOYSA-N 1 2 230.311 2.915 20 0 BFADLO Fc1cccc(CCn2cc[nH+]c2)c1Cl ZINC001250318315 967689276 /nfs/dbraw/zinc/68/92/76/967689276.db2.gz BHIBHOVIPBDANW-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO Clc1cc(CCn2cc[nH+]c2)cc(Cl)n1 ZINC001250318679 967693053 /nfs/dbraw/zinc/69/30/53/967693053.db2.gz KGMYPKYIGHTNQH-UHFFFAOYSA-N 1 2 242.109 2.828 20 0 BFADLO Cc1cc(F)c(CCn2cc[nH+]c2)cc1F ZINC001250320898 967698775 /nfs/dbraw/zinc/69/87/75/967698775.db2.gz SDQUQDRBRONULD-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO CNc1ccc(Nc2ccc(C)nc2F)c[nH+]1 ZINC001203448597 967715196 /nfs/dbraw/zinc/71/51/96/967715196.db2.gz BLJZXANRZXHXEI-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO CCCCNc1cc(C(=O)OC)cc2[nH+]c[nH]c21 ZINC001162203814 967732430 /nfs/dbraw/zinc/73/24/30/967732430.db2.gz BQDLBMVWCRFCOH-UHFFFAOYSA-N 1 2 247.298 2.562 20 0 BFADLO Cc1cccc(Cc2ccc3[nH+]ccn3c2)n1 ZINC001250423745 967834952 /nfs/dbraw/zinc/83/49/52/967834952.db2.gz ZHCQAJXMQPDFKW-UHFFFAOYSA-N 1 2 223.279 2.629 20 0 BFADLO CSCCc1[nH]c2c(cc(F)cc2C)[nH+]1 ZINC001250426736 967841719 /nfs/dbraw/zinc/84/17/19/967841719.db2.gz QYTPJSRHPSDFDR-UHFFFAOYSA-N 1 2 224.304 2.916 20 0 BFADLO CC(C)(C)Cc1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC001250427611 967843467 /nfs/dbraw/zinc/84/34/67/967843467.db2.gz BOLNQDVJQADYQM-UHFFFAOYSA-N 1 2 232.283 2.880 20 0 BFADLO Cc1sccc1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205852045 967854861 /nfs/dbraw/zinc/85/48/61/967854861.db2.gz DRGCUNQJNMQFAR-ZWNOBZJWSA-N 1 2 238.400 2.616 20 0 BFADLO Cc1sccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205852045 967854857 /nfs/dbraw/zinc/85/48/57/967854857.db2.gz DRGCUNQJNMQFAR-ZWNOBZJWSA-N 1 2 238.400 2.616 20 0 BFADLO COc1cc(Nc2c(C)ccnc2F)[nH+]cc1C ZINC001212557468 967873099 /nfs/dbraw/zinc/87/30/99/967873099.db2.gz BLYIIKJTBUJCCA-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)co1 ZINC001206048595 968015801 /nfs/dbraw/zinc/01/58/01/968015801.db2.gz IWXPYJVVKWLRNK-UHFFFAOYSA-N 1 2 244.285 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C(C)(C)C2)co1 ZINC001206048595 968015813 /nfs/dbraw/zinc/01/58/13/968015813.db2.gz IWXPYJVVKWLRNK-UHFFFAOYSA-N 1 2 244.285 2.850 20 0 BFADLO COc1ccc2[nH+]c(CC3CC3)n(C)c2c1 ZINC001250573055 968091937 /nfs/dbraw/zinc/09/19/37/968091937.db2.gz RWXNKOHHZLXTGN-UHFFFAOYSA-N 1 2 216.284 2.534 20 0 BFADLO CNc1ccc(Nc2cnc(C)nc2Cl)c[nH+]1 ZINC001203448981 968098094 /nfs/dbraw/zinc/09/80/94/968098094.db2.gz TWQNTBBYXIGQKB-UHFFFAOYSA-N 1 2 249.705 2.619 20 0 BFADLO CC(C)C1(O)C[NH+](C/C=C/c2cccc(F)c2)C1 ZINC001206174681 968111428 /nfs/dbraw/zinc/11/14/28/968111428.db2.gz QGPJGJLLWCXCFK-GQCTYLIASA-N 1 2 249.329 2.542 20 0 BFADLO CCOc1ccc2[nH]c(CCCOC)[nH+]c2c1 ZINC001250603366 968147502 /nfs/dbraw/zinc/14/75/02/968147502.db2.gz REUYFLVOHXATDD-UHFFFAOYSA-N 1 2 234.299 2.541 20 0 BFADLO Cc1cc(O)cc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001206234249 968158308 /nfs/dbraw/zinc/15/83/08/968158308.db2.gz OWVLHHQRVZCTMT-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO COc1cc2[nH+]c(CC(C)(C)OC)[nH]c2cc1C ZINC001250613390 968161853 /nfs/dbraw/zinc/16/18/53/968161853.db2.gz OWNUKDRYQFUKNR-UHFFFAOYSA-N 1 2 248.326 2.847 20 0 BFADLO Cc1cc(O)cc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001206241300 968165276 /nfs/dbraw/zinc/16/52/76/968165276.db2.gz QSVKHNDQWYWZJT-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1cn2c(cccc2Nc2ccccc2N)[nH+]1 ZINC001206300738 968205100 /nfs/dbraw/zinc/20/51/00/968205100.db2.gz WOWAQLXHLPGRDD-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1nc2ccccc2[nH]1 ZINC001251091287 968262597 /nfs/dbraw/zinc/26/25/97/968262597.db2.gz COMMAHFLMVKWTD-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1ccc[nH]c1=O ZINC001206416906 968288991 /nfs/dbraw/zinc/28/89/91/968288991.db2.gz DPHLUDSJUVPJBA-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO Cc1ccc(NC[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC001251977906 968419336 /nfs/dbraw/zinc/41/93/36/968419336.db2.gz FXMLYYGCCJPQSW-OAHLLOKOSA-N 1 2 242.322 2.844 20 0 BFADLO Cc1ccc(NC[C@H](O)c2ccccc2)c(C)[nH+]1 ZINC001251977905 968420264 /nfs/dbraw/zinc/42/02/64/968420264.db2.gz FXMLYYGCCJPQSW-HNNXBMFYSA-N 1 2 242.322 2.844 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC[C@@](C)(F)C2)no1 ZINC001206818441 968489308 /nfs/dbraw/zinc/48/93/08/968489308.db2.gz SAWXNYUIISJSRP-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)no1 ZINC001206818441 968489314 /nfs/dbraw/zinc/48/93/14/968489314.db2.gz SAWXNYUIISJSRP-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001206847972 968498501 /nfs/dbraw/zinc/49/85/01/968498501.db2.gz XVHHRGALGCWWNO-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001206847972 968498506 /nfs/dbraw/zinc/49/85/06/968498506.db2.gz XVHHRGALGCWWNO-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Fc1cncc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001207017094 968554270 /nfs/dbraw/zinc/55/42/70/968554270.db2.gz OXUIKISGFWXKQA-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cncc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001207017094 968554277 /nfs/dbraw/zinc/55/42/77/968554277.db2.gz OXUIKISGFWXKQA-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Cc1ncccc1C[N@H+](C)Cc1cncc(F)c1 ZINC001207025182 968558873 /nfs/dbraw/zinc/55/88/73/968558873.db2.gz VFGVWHZWPKNFRS-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncccc1C[N@@H+](C)Cc1cncc(F)c1 ZINC001207025182 968558878 /nfs/dbraw/zinc/55/88/78/968558878.db2.gz VFGVWHZWPKNFRS-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[C@@]1(F)CCCC[N@H+](Cc2ncccc2F)C1 ZINC001207028331 968559987 /nfs/dbraw/zinc/55/99/87/968559987.db2.gz HCDMGSPXZKTLAE-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@@]1(F)CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001207028331 968559994 /nfs/dbraw/zinc/55/99/94/968559994.db2.gz HCDMGSPXZKTLAE-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1ncccc1F ZINC001207032179 968565335 /nfs/dbraw/zinc/56/53/35/968565335.db2.gz HDVWGJFHJXTHSA-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1ncccc1F ZINC001207032179 968565343 /nfs/dbraw/zinc/56/53/43/968565343.db2.gz HDVWGJFHJXTHSA-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CCC1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207049518 968579711 /nfs/dbraw/zinc/57/97/11/968579711.db2.gz WGCAWNAEKHHQGB-UHFFFAOYSA-N 1 2 243.354 2.956 20 0 BFADLO CCCC[C@H](O)CNc1ccc2[nH+]cn(C)c2c1 ZINC001252098293 968580703 /nfs/dbraw/zinc/58/07/03/968580703.db2.gz WXBMKERLNGURIR-LBPRGKRZSA-N 1 2 247.342 2.536 20 0 BFADLO CCOC(=O)c1c[nH]c2nc[nH+]c(C=C(C)C)c12 ZINC001240633736 968587415 /nfs/dbraw/zinc/58/74/15/968587415.db2.gz LSYZCTQNNGAYHE-UHFFFAOYSA-N 1 2 245.282 2.509 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)s1 ZINC001207058986 968590881 /nfs/dbraw/zinc/59/08/81/968590881.db2.gz QKUBHLCBMJNOKM-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)s1 ZINC001207058986 968590887 /nfs/dbraw/zinc/59/08/87/968590887.db2.gz QKUBHLCBMJNOKM-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO CC(C)Oc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001240806827 968697561 /nfs/dbraw/zinc/69/75/61/968697561.db2.gz BVIFQTCSHFQNKU-UHFFFAOYSA-N 1 2 229.283 2.513 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1cccc(O)c1 ZINC001240928085 968819313 /nfs/dbraw/zinc/81/93/13/968819313.db2.gz YLXSBHLANJJIOF-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CC[C@H]1COC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000829421709 968830584 /nfs/dbraw/zinc/83/05/84/968830584.db2.gz WWHUVHFNUFRFNV-SMDDNHRTSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H](C[NH+]1C[C@@H](F)[C@H](F)C1)c1ccccc1 ZINC001207899525 968922847 /nfs/dbraw/zinc/92/28/47/968922847.db2.gz DLDXTRBRIVSCJC-CYZMBNFOSA-N 1 2 225.282 2.782 20 0 BFADLO Nc1cc(-c2cccc3c2CC=C3)cc[nH+]1 ZINC001241170303 968942053 /nfs/dbraw/zinc/94/20/53/968942053.db2.gz HBMNTNMQRDUDIT-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N)c2)cc(F)c1F ZINC001241169906 968943166 /nfs/dbraw/zinc/94/31/66/968943166.db2.gz ATUDTONKASDMIX-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO CC1(C)CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC001242016083 969168187 /nfs/dbraw/zinc/16/81/87/969168187.db2.gz UWGDSIIFGKWFSX-UHFFFAOYSA-N 1 2 241.294 2.697 20 0 BFADLO C[Si](C)(C)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242018643 969171350 /nfs/dbraw/zinc/17/13/50/969171350.db2.gz SXSSNIDLGXUMDA-UHFFFAOYSA-N 1 2 216.360 2.622 20 0 BFADLO FC[C@@H]1CC[N@H+](CCC2CC2)CC1(F)F ZINC001208678710 969193866 /nfs/dbraw/zinc/19/38/66/969193866.db2.gz HOVAQFVOIGCYJC-JTQLQIEISA-N 1 2 221.266 2.713 20 0 BFADLO FC[C@@H]1CC[N@@H+](CCC2CC2)CC1(F)F ZINC001208678710 969193870 /nfs/dbraw/zinc/19/38/70/969193870.db2.gz HOVAQFVOIGCYJC-JTQLQIEISA-N 1 2 221.266 2.713 20 0 BFADLO CNc1ccc(-c2cc(C)cn3cc[nH+]c23)cn1 ZINC001242069105 969195097 /nfs/dbraw/zinc/19/50/97/969195097.db2.gz AAMFNSZOZPXDGV-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO OC[C@H]1C[N@H+](CCC2CCCC2)CC(F)(F)C1 ZINC001208690247 969197877 /nfs/dbraw/zinc/19/78/77/969197877.db2.gz DHMDXWGWNZJPAD-GFCCVEGCSA-N 1 2 247.329 2.516 20 0 BFADLO OC[C@H]1C[N@@H+](CCC2CCCC2)CC(F)(F)C1 ZINC001208690247 969197881 /nfs/dbraw/zinc/19/78/81/969197881.db2.gz DHMDXWGWNZJPAD-GFCCVEGCSA-N 1 2 247.329 2.516 20 0 BFADLO Fc1ccc(CCC[N@@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001208769692 969230218 /nfs/dbraw/zinc/23/02/18/969230218.db2.gz XNBUCYXUEUIFTB-BETUJISGSA-N 1 2 243.272 2.750 20 0 BFADLO Fc1ccc(CCC[N@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001208769692 969230226 /nfs/dbraw/zinc/23/02/26/969230226.db2.gz XNBUCYXUEUIFTB-BETUJISGSA-N 1 2 243.272 2.750 20 0 BFADLO Cc1ccc([C@H](C)Nc2cc[nH+]cc2F)nc1 ZINC001168855932 969238649 /nfs/dbraw/zinc/23/86/49/969238649.db2.gz YTDOCIOTHWSPRJ-JTQLQIEISA-N 1 2 231.274 2.519 20 0 BFADLO Cc1ccc(NC[C@@H](O)C(C)(C)C)c(C)[nH+]1 ZINC001253714278 969340806 /nfs/dbraw/zinc/34/08/06/969340806.db2.gz WJUVNZSNYIKYFA-GFCCVEGCSA-N 1 2 222.332 2.517 20 0 BFADLO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[NH+](C)C ZINC001209082853 969349149 /nfs/dbraw/zinc/34/91/49/969349149.db2.gz GFQMYQMKUMDDSX-FRRDWIJNSA-N 1 2 241.375 2.552 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001209555161 969542699 /nfs/dbraw/zinc/54/26/99/969542699.db2.gz VHMRVZGUKGTBPZ-VIFPVBQESA-N 1 2 243.301 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001209555161 969542704 /nfs/dbraw/zinc/54/27/04/969542704.db2.gz VHMRVZGUKGTBPZ-VIFPVBQESA-N 1 2 243.301 2.585 20 0 BFADLO Cc1nc(N[C@H](C2CCC2)C(F)(F)F)cc[nH+]1 ZINC001169286137 969553129 /nfs/dbraw/zinc/55/31/29/969553129.db2.gz SDAVMYIGODDXEC-SNVBAGLBSA-N 1 2 245.248 2.928 20 0 BFADLO Cc1cc(C)c(Nc2ncccc2F)c[nH+]1 ZINC001209805295 969632507 /nfs/dbraw/zinc/63/25/07/969632507.db2.gz LJQZZOAACKXNHE-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Fc1ccnc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209841151 969647675 /nfs/dbraw/zinc/64/76/75/969647675.db2.gz FCICLQXAGQXWPY-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc3[nH]nc(N)c3c2)c1 ZINC001209853247 969659923 /nfs/dbraw/zinc/65/99/23/969659923.db2.gz KKUORGJTJSMZQC-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO c1[nH]c2ccc(Nc3cc4ccccn4n3)cc2[nH+]1 ZINC001209847267 969663741 /nfs/dbraw/zinc/66/37/41/969663741.db2.gz DSRNSTLRDPGMAI-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO C[C@@H](Nc1cc2cc[nH]c2c[nH+]1)c1cnccn1 ZINC001169521031 969709598 /nfs/dbraw/zinc/70/95/98/969709598.db2.gz OGLSMEOEEZWKFR-SECBINFHSA-N 1 2 239.282 2.526 20 0 BFADLO Cn1ccc(Nc2ccc3c[nH+]ccc3c2)n1 ZINC001210043642 969772995 /nfs/dbraw/zinc/77/29/95/969772995.db2.gz HUAWAOXGZNTHIW-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO Cc1nonc1Nc1ccc2c[nH+]ccc2c1 ZINC001210044728 969773045 /nfs/dbraw/zinc/77/30/45/969773045.db2.gz DNSRSGFJSSQAPO-UHFFFAOYSA-N 1 2 226.239 2.670 20 0 BFADLO CCCC=CNc1ccc(N(C)C)[nH+]c1 ZINC001210057780 969778693 /nfs/dbraw/zinc/77/86/93/969778693.db2.gz PVCSWIDCTBPDFP-RMKNXTFCSA-N 1 2 205.305 2.873 20 0 BFADLO FC1(C2CC2)C[NH+](C2Cc3ccccc3C2)C1 ZINC001255020169 969848579 /nfs/dbraw/zinc/84/85/79/969848579.db2.gz QHHDQEBTYPBNOU-UHFFFAOYSA-N 1 2 231.314 2.588 20 0 BFADLO Cc1[nH+]cc(Nc2ncccc2Cl)cc1N ZINC001210287545 969853917 /nfs/dbraw/zinc/85/39/17/969853917.db2.gz WRTWEQGYIWVTLO-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1[nH+]cc(Nc2cccc(F)c2F)cc1N ZINC001210287869 969855923 /nfs/dbraw/zinc/85/59/23/969855923.db2.gz DTQLEURZYBFPRW-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO Cc1cc(F)c(Nc2c[nH+]c(C)c(N)c2)cc1O ZINC001210289417 969856663 /nfs/dbraw/zinc/85/66/63/969856663.db2.gz KNOOLSVDIFRJND-UHFFFAOYSA-N 1 2 247.273 2.869 20 0 BFADLO Cc1[nH+]cc(Nc2cccc(C3CC3)n2)cc1N ZINC001210288682 969856786 /nfs/dbraw/zinc/85/67/86/969856786.db2.gz MZBFUHIMJDXECU-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1[nH+]cc(Nc2cn(CC(C)C)cn2)cc1N ZINC001210289032 969858002 /nfs/dbraw/zinc/85/80/02/969858002.db2.gz QYUVJZDVHUIZQL-UHFFFAOYSA-N 1 2 245.330 2.568 20 0 BFADLO CCc1cccc(O)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210294459 969859110 /nfs/dbraw/zinc/85/91/10/969859110.db2.gz YJFBQIAISOKGCU-UHFFFAOYSA-N 1 2 243.310 2.984 20 0 BFADLO COc1cc(Nc2ccn(C(C)C)n2)cc(C)[nH+]1 ZINC001210342520 969870706 /nfs/dbraw/zinc/87/07/06/969870706.db2.gz YEVKUEIFEOUKHY-UHFFFAOYSA-N 1 2 246.314 2.920 20 0 BFADLO CC(C)n1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001242435504 969934733 /nfs/dbraw/zinc/93/47/33/969934733.db2.gz HXEIWTQLTAGHAL-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc([C@H](C)O)cc1 ZINC001210641479 969989525 /nfs/dbraw/zinc/98/95/25/969989525.db2.gz UFACFTGMWLDZBJ-JTQLQIEISA-N 1 2 244.294 2.893 20 0 BFADLO c1[nH]c2c([nH+]1)[C@@H](c1nnc(C3CCC3)o1)CCC2 ZINC001255182382 970000666 /nfs/dbraw/zinc/00/06/66/970000666.db2.gz KHFHBCVCZLDTNI-VIFPVBQESA-N 1 2 244.298 2.528 20 0 BFADLO c1cn2c(cccc2Nc2c[nH]c3ncccc23)[nH+]1 ZINC001210939393 970075006 /nfs/dbraw/zinc/07/50/06/970075006.db2.gz YSJVTFJVPGKEPL-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CC(C)c1nc(NC=[NH2+])cc(C(C)(C)C)n1 ZINC001157079958 970078241 /nfs/dbraw/zinc/07/82/41/970078241.db2.gz KEFRDOZSEUVIOO-UHFFFAOYSA-N 1 2 220.320 2.916 20 0 BFADLO Cc1nc(N2CCC[C@H]3C[C@H]32)cc(C(C)C)[nH+]1 ZINC001157131642 970095278 /nfs/dbraw/zinc/09/52/78/970095278.db2.gz GZEOZHIOBQFAKM-WCQYABFASA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cn2c(cccc2Nc2nccs2)[nH+]1 ZINC001210987375 970098600 /nfs/dbraw/zinc/09/86/00/970098600.db2.gz RFTRGTFTFWKPFQ-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CCC[C@H]2C[C@H]21 ZINC001157134735 970105857 /nfs/dbraw/zinc/10/58/57/970105857.db2.gz QDJDXNZPKLMELA-GXSJLCMTSA-N 1 2 206.264 2.518 20 0 BFADLO COc1cc(Nc2ccc(C)cn2)[nH+]cc1C ZINC001211011600 970112500 /nfs/dbraw/zinc/11/25/00/970112500.db2.gz YCDZFCIVWURAFP-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1ccc(Nc2ccccc2CO)[nH+]c1 ZINC001211010596 970113583 /nfs/dbraw/zinc/11/35/83/970113583.db2.gz JGNIPYWEJNVEFB-UHFFFAOYSA-N 1 2 214.268 2.626 20 0 BFADLO COCc1cncc(Nc2ccc(C)[nH+]c2C)c1 ZINC001211074447 970134813 /nfs/dbraw/zinc/13/48/13/970134813.db2.gz KGVSDHILMAECBO-UHFFFAOYSA-N 1 2 243.310 2.983 20 0 BFADLO Oc1cc(F)c(-c2cccc3[nH+]ccn32)cc1F ZINC001211338220 970235571 /nfs/dbraw/zinc/23/55/71/970235571.db2.gz BOKSZURDDVUCGZ-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)c(O)cc1F ZINC001211350104 970246783 /nfs/dbraw/zinc/24/67/83/970246783.db2.gz LPHSWLJEPKYMHM-JKEDICHKSA-N 1 2 211.211 2.546 20 0 BFADLO Oc1cc(F)c(-c2cccn3c[nH+]cc23)cc1F ZINC001211359531 970251172 /nfs/dbraw/zinc/25/11/72/970251172.db2.gz ISRFJKPFGVPVHT-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(F)c(OC(F)F)c1 ZINC001243069565 970263500 /nfs/dbraw/zinc/26/35/00/970263500.db2.gz TZJFGVCJBPJIFI-UHFFFAOYSA-N 1 2 242.200 2.828 20 0 BFADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001170097693 970267304 /nfs/dbraw/zinc/26/73/04/970267304.db2.gz ADRBSANGHHRAEI-RQJHMYQMSA-N 1 2 231.208 2.962 20 0 BFADLO O=C1CC[NH+](C2CCC(C(F)(F)F)CC2)CC1 ZINC001255515300 970281236 /nfs/dbraw/zinc/28/12/36/970281236.db2.gz HUXFASVRGGODQK-UHFFFAOYSA-N 1 2 249.276 2.772 20 0 BFADLO COc1ncc(F)cc1Nc1c[nH+]c(C)cc1C ZINC001213508318 970330349 /nfs/dbraw/zinc/33/03/49/970330349.db2.gz PUTHIWYSHFSPCK-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)cc2C)n(CCF)n1 ZINC001213511108 970339455 /nfs/dbraw/zinc/33/94/55/970339455.db2.gz WQUQUMHAMDRGJZ-UHFFFAOYSA-N 1 2 248.305 2.916 20 0 BFADLO Cc1ccc(O)c(Nc2c[nH+]cc(C)c2C)n1 ZINC001213523301 970346924 /nfs/dbraw/zinc/34/69/24/970346924.db2.gz PLFUPDKULNMSSV-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO Cc1c[nH+]cc(Nc2cncs2)c1C ZINC001213525362 970349855 /nfs/dbraw/zinc/34/98/55/970349855.db2.gz SJGQFSZRJCWFKM-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]cc(N2CCc3c2cccc3N)c1C ZINC001213536234 970362200 /nfs/dbraw/zinc/36/22/00/970362200.db2.gz CZDDPUQPIMCSCA-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO CCC1(Nc2ccc(C(C)(C)C)c[nH+]2)COC1 ZINC001157541516 970418256 /nfs/dbraw/zinc/41/82/56/970418256.db2.gz HLYGGJMJIGJZRW-UHFFFAOYSA-N 1 2 234.343 2.970 20 0 BFADLO Cc1cc(N)ccc1Nc1[nH+]cccc1N(C)C ZINC001214112375 970440903 /nfs/dbraw/zinc/44/09/03/970440903.db2.gz FPVVYNWLLFDUBC-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO Cc1ccc(Nc2cc(F)ccc2N)[nH+]c1 ZINC001214196861 970461166 /nfs/dbraw/zinc/46/11/66/970461166.db2.gz OGPQPDDVZVGBAL-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1ccc(C[C@H](C)[N@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001255787766 970493285 /nfs/dbraw/zinc/49/32/85/970493285.db2.gz OMSBDAZSLYTDHK-FPMFFAJLSA-N 1 2 239.309 2.918 20 0 BFADLO Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001255787766 970493288 /nfs/dbraw/zinc/49/32/88/970493288.db2.gz OMSBDAZSLYTDHK-FPMFFAJLSA-N 1 2 239.309 2.918 20 0 BFADLO CCCCCc1nnc(C[NH+]2CCCCC2)o1 ZINC001256065193 970632044 /nfs/dbraw/zinc/63/20/44/970632044.db2.gz YWRPHRGPSPNXJS-UHFFFAOYSA-N 1 2 237.347 2.788 20 0 BFADLO COc1cccc(C[C@@H](C)[NH2+][C@H]2CC2(F)F)c1 ZINC001256141252 970669240 /nfs/dbraw/zinc/66/92/40/970669240.db2.gz OSNBOOOKRNWKEK-SKDRFNHKSA-N 1 2 241.281 2.623 20 0 BFADLO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401883727 970744628 /nfs/dbraw/zinc/74/46/28/970744628.db2.gz CVXAOGRICWSYQI-ONGXEEELSA-N 1 2 241.285 2.565 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cn(C)nc1-c1ccccc1 ZINC001222535971 972555548 /nfs/dbraw/zinc/55/55/48/972555548.db2.gz CYGNAEOGASJWBJ-QXZILWSFSA-N 1 2 239.322 2.963 20 0 BFADLO CCCC(C)(C)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001144110133 972578327 /nfs/dbraw/zinc/57/83/27/972578327.db2.gz UAUQYQYBJJQYTB-UHFFFAOYSA-N 1 2 246.354 2.757 20 0 BFADLO Cc1cccc2c1[C@@H](OCc1c[nH+]cn1C)CC2 ZINC001222585847 972588126 /nfs/dbraw/zinc/58/81/26/972588126.db2.gz KOGRAMGFFNZTOO-AWEZNQCLSA-N 1 2 242.322 2.933 20 0 BFADLO C[C@@H](OCc1c[nH+]cn1C)C1CCCC1 ZINC001222600975 972592333 /nfs/dbraw/zinc/59/23/33/972592333.db2.gz XAQMNSGVTNRTOX-SNVBAGLBSA-N 1 2 208.305 2.515 20 0 BFADLO Cn1c[nH+]cc1COC1CCCCCC1 ZINC001222595221 972592472 /nfs/dbraw/zinc/59/24/72/972592472.db2.gz UGKWFCBDVWPKFA-UHFFFAOYSA-N 1 2 208.305 2.660 20 0 BFADLO COc1ccc([C@H](C)OCc2c[nH+]cn2C)cc1 ZINC001222595144 972593165 /nfs/dbraw/zinc/59/31/65/972593165.db2.gz QGCZXNSQHPNYTF-NSHDSACASA-N 1 2 246.310 2.707 20 0 BFADLO CC[C@@H](OCc1c[nH+]cn1C)C(C)(C)C ZINC001222594635 972593656 /nfs/dbraw/zinc/59/36/56/972593656.db2.gz ICUAVCPNORRADM-LLVKDONJSA-N 1 2 210.321 2.761 20 0 BFADLO C[NH+](C)Cc1nnc(C2CC(C(C)(C)C)C2)o1 ZINC001327867355 972770689 /nfs/dbraw/zinc/77/06/89/972770689.db2.gz XQBAEYUXYVJDCZ-UHFFFAOYSA-N 1 2 237.347 2.671 20 0 BFADLO CC1C[NH+](Cc2cccnc2C(F)(F)F)C1 ZINC001144520414 972853596 /nfs/dbraw/zinc/85/35/96/972853596.db2.gz QCAFCAIAXBXNEM-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO CC[N@H+](Cc1c(F)cc(O)cc1F)C1CC1 ZINC001144542465 972863096 /nfs/dbraw/zinc/86/30/96/972863096.db2.gz YUVFGZNGLCSVGD-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[N@@H+](Cc1c(F)cc(O)cc1F)C1CC1 ZINC001144542465 972863102 /nfs/dbraw/zinc/86/31/02/972863102.db2.gz YUVFGZNGLCSVGD-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001144561876 972869171 /nfs/dbraw/zinc/86/91/71/972869171.db2.gz PQEJKUGMRULUGR-ISVAXAHUSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC001144561876 972869175 /nfs/dbraw/zinc/86/91/75/972869175.db2.gz PQEJKUGMRULUGR-ISVAXAHUSA-N 1 2 239.265 2.655 20 0 BFADLO Fc1ccc(C2C[NH+](Cc3nccs3)C2)cc1 ZINC001328221196 972910273 /nfs/dbraw/zinc/91/02/73/972910273.db2.gz RFDFMMYIURLUDH-UHFFFAOYSA-N 1 2 248.326 2.882 20 0 BFADLO Oc1cc(F)c(C[NH+]2CCC(F)CC2)cc1F ZINC001144646704 972912873 /nfs/dbraw/zinc/91/28/73/972912873.db2.gz HRTPHTXVHFEZSO-UHFFFAOYSA-N 1 2 245.244 2.604 20 0 BFADLO C[C@H]1CC[N@H+](Cc2nnc[nH]2)CC12CCCCC2 ZINC001328409865 973033526 /nfs/dbraw/zinc/03/35/26/973033526.db2.gz IUCMOAHXIQDEJM-LBPRGKRZSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2nnc[nH]2)CC12CCCCC2 ZINC001328409865 973033544 /nfs/dbraw/zinc/03/35/44/973033544.db2.gz IUCMOAHXIQDEJM-LBPRGKRZSA-N 1 2 248.374 2.597 20 0 BFADLO Cc1cc(CO[C@@H](C)c2ncccn2)cc(C)[nH+]1 ZINC001223421758 973055326 /nfs/dbraw/zinc/05/53/26/973055326.db2.gz QQGKUKJLYOQEML-LBPRGKRZSA-N 1 2 243.310 2.766 20 0 BFADLO Cc1cc(CO[C@@H]2C=CCC2)cc(C)[nH+]1 ZINC001223424126 973065433 /nfs/dbraw/zinc/06/54/33/973065433.db2.gz HRFXTYFBABGTNB-CYBMUJFWSA-N 1 2 203.285 2.934 20 0 BFADLO C/C(=C/c1nnc(C[NH+](C)C)o1)c1cccs1 ZINC001329149237 973511617 /nfs/dbraw/zinc/51/16/17/973511617.db2.gz UNVFPNSIGQLWKB-CLFYSBASSA-N 1 2 249.339 2.753 20 0 BFADLO CCC(C)(C)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001329320354 973675293 /nfs/dbraw/zinc/67/52/93/973675293.db2.gz PLZJDFASLWDKCE-SECBINFHSA-N 1 2 234.303 2.563 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001329324784 973680252 /nfs/dbraw/zinc/68/02/52/973680252.db2.gz XLXSSRGZTPYJPO-MNOVXSKESA-N 1 2 237.347 2.815 20 0 BFADLO [NH2+]=C(Nc1ccc(O)cc1)c1cccnc1Cl ZINC001171353324 973937901 /nfs/dbraw/zinc/93/79/01/973937901.db2.gz URCZHBGXGFYQBE-UHFFFAOYSA-N 1 2 247.685 2.878 20 0 BFADLO Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC1(F)F)C2 ZINC001171394610 974001282 /nfs/dbraw/zinc/00/12/82/974001282.db2.gz ULLCKSCZOUOLEU-SKDRFNHKSA-N 1 2 241.256 2.680 20 0 BFADLO COc1cc[nH+]cc1NC(C)(C)c1ccncc1 ZINC001171514406 974090264 /nfs/dbraw/zinc/09/02/64/974090264.db2.gz IOIYYSYMYKSIKE-UHFFFAOYSA-N 1 2 243.310 2.832 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@H]1CCCCO1 ZINC001224967013 974107436 /nfs/dbraw/zinc/10/74/36/974107436.db2.gz VKOMXIFGMHFLDO-GFCCVEGCSA-N 1 2 243.347 2.756 20 0 BFADLO C[NH+]1CC(Oc2ccc(C(C)(C)C)cc2)C1 ZINC001225259630 974322225 /nfs/dbraw/zinc/32/22/25/974322225.db2.gz NQBATIUKBHTVBC-UHFFFAOYSA-N 1 2 219.328 2.677 20 0 BFADLO C[C@H](COc1ccccc1)Oc1cc[nH+]cc1 ZINC001225290622 974362527 /nfs/dbraw/zinc/36/25/27/974362527.db2.gz DBEVHZQCPKUSQP-GFCCVEGCSA-N 1 2 229.279 2.928 20 0 BFADLO c1ccc2c(c1)OCC[C@H]2Oc1cc[nH+]cc1 ZINC001225291181 974364961 /nfs/dbraw/zinc/36/49/61/974364961.db2.gz OSOYQOUWQZZFKL-CQSZACIVSA-N 1 2 227.263 2.984 20 0 BFADLO COC(=O)C[C@@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001225294415 974370646 /nfs/dbraw/zinc/37/06/46/974370646.db2.gz JSPBFHYIPITNTI-YPMHNXCESA-N 1 2 249.310 2.582 20 0 BFADLO C[C@@H]1c2ccc(OC3C[NH+](C)C3)cc2OC1(C)C ZINC001225497382 974532612 /nfs/dbraw/zinc/53/26/12/974532612.db2.gz CNXKDGPYYBKHQA-SNVBAGLBSA-N 1 2 247.338 2.654 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@H+](C)CC(F)F ZINC001172362462 974632695 /nfs/dbraw/zinc/63/26/95/974632695.db2.gz SYTCGKNOKWYNIK-VHSXEESVSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@@H+](C)CC(F)F ZINC001172362462 974632698 /nfs/dbraw/zinc/63/26/98/974632698.db2.gz SYTCGKNOKWYNIK-VHSXEESVSA-N 1 2 223.307 2.777 20 0 BFADLO CC(C)[NH+]1CC(Oc2nc3ccccc3s2)C1 ZINC001225693097 974647232 /nfs/dbraw/zinc/64/72/32/974647232.db2.gz NJVPUYBABLUSQS-UHFFFAOYSA-N 1 2 248.351 2.768 20 0 BFADLO CCc1nn(C[N@H+]2CCC[C@@H]2CC)c(=S)o1 ZINC001331464314 974732057 /nfs/dbraw/zinc/73/20/57/974732057.db2.gz MBIXDNHYLWORQX-VIFPVBQESA-N 1 2 241.360 2.600 20 0 BFADLO CCc1nn(C[N@@H+]2CCC[C@@H]2CC)c(=S)o1 ZINC001331464314 974732061 /nfs/dbraw/zinc/73/20/61/974732061.db2.gz MBIXDNHYLWORQX-VIFPVBQESA-N 1 2 241.360 2.600 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CCC(F)(F)C2)c1 ZINC001332713236 975270130 /nfs/dbraw/zinc/27/01/30/975270130.db2.gz JBTBVGHPIWFZLZ-UHFFFAOYSA-N 1 2 226.270 2.539 20 0 BFADLO CCN(C)c1ccc(Nc2conc2C)c[nH+]1 ZINC001212720678 975280045 /nfs/dbraw/zinc/28/00/45/975280045.db2.gz RPVFNYLYMXWQPG-UHFFFAOYSA-N 1 2 232.287 2.578 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCOC[C@@H]1C ZINC001227261540 975337170 /nfs/dbraw/zinc/33/71/70/975337170.db2.gz BUYAEYPNFAAFOH-CMPLNLGQSA-N 1 2 221.300 2.502 20 0 BFADLO CCO[C@H](C)COc1c(C)cc[nH+]c1C ZINC001227263648 975339326 /nfs/dbraw/zinc/33/93/26/975339326.db2.gz GLWJJQNRANYAOR-SNVBAGLBSA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCCCC1=O ZINC001227262593 975341085 /nfs/dbraw/zinc/34/10/85/975341085.db2.gz TWTQPFXZAYAVBU-GFCCVEGCSA-N 1 2 219.284 2.589 20 0 BFADLO CCC[C@](C)(CC)c1nnc(C[NH+](C)C)o1 ZINC001333121473 975447713 /nfs/dbraw/zinc/44/77/13/975447713.db2.gz KFGFTYMOGVGBTR-LBPRGKRZSA-N 1 2 225.336 2.599 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccccc1 ZINC001173791359 975608704 /nfs/dbraw/zinc/60/87/04/975608704.db2.gz OFWYYMNSPKJWBI-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(F)cc1 ZINC001173797016 975633840 /nfs/dbraw/zinc/63/38/40/975633840.db2.gz CYIIZWYRWGRMOJ-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)cc1 ZINC001173798257 975645389 /nfs/dbraw/zinc/64/53/89/975645389.db2.gz MUQPSCSGFNRTFZ-UHFFFAOYSA-N 1 2 218.231 2.973 20 0 BFADLO CC[C@H](C)c1ccccc1OC1C[NH+](C)C1 ZINC001227759058 975677413 /nfs/dbraw/zinc/67/74/13/975677413.db2.gz FPZJEZLBFDFOFR-NSHDSACASA-N 1 2 219.328 2.893 20 0 BFADLO Cc1cc(OC2C[NH+](C)C2)cc(C)c1Cl ZINC001227849109 975737507 /nfs/dbraw/zinc/73/75/07/975737507.db2.gz VVJSYRBULMZYBA-UHFFFAOYSA-N 1 2 225.719 2.650 20 0 BFADLO Cc1cn2c(cccc2Nc2cccnc2)[nH+]1 ZINC001173854133 975762632 /nfs/dbraw/zinc/76/26/32/975762632.db2.gz WMIBLEHRDQJMST-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO COc1ccc(N(C)c2[nH+]cccc2N)cc1F ZINC001173861566 975804786 /nfs/dbraw/zinc/80/47/86/975804786.db2.gz AXRHSBFHRGPPIV-UHFFFAOYSA-N 1 2 247.273 2.579 20 0 BFADLO COc1cc(NC=Cc2ccccc2)c(N)c[nH+]1 ZINC001173872105 975825705 /nfs/dbraw/zinc/82/57/05/975825705.db2.gz XMSLILDGCUDLKE-BQYQJAHWSA-N 1 2 241.294 2.755 20 0 BFADLO COc1cccc(Nc2c[nH+]ccc2OC)c1 ZINC001173824285 975839109 /nfs/dbraw/zinc/83/91/09/975839109.db2.gz SVJWWSABPSXQCA-UHFFFAOYSA-N 1 2 230.267 2.842 20 0 BFADLO COc1ccc(Nc2cc[nH+]c(SC)c2)cn1 ZINC001173959183 976006235 /nfs/dbraw/zinc/00/62/35/976006235.db2.gz CXKYQBXENCUURC-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COC(=O)c1cccc(Nc2cccc(C)[nH+]2)c1 ZINC001173962110 976009516 /nfs/dbraw/zinc/00/95/16/976009516.db2.gz OWGHQBMHLWQYDF-UHFFFAOYSA-N 1 2 242.278 2.920 20 0 BFADLO CC(C)[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC001333750601 976058391 /nfs/dbraw/zinc/05/83/91/976058391.db2.gz HAFXOORNUHJAEQ-LBPRGKRZSA-N 1 2 244.342 2.602 20 0 BFADLO CCc1nn(C[N@H+](C)C2CCCC2)c(=S)o1 ZINC001333770805 976074930 /nfs/dbraw/zinc/07/49/30/976074930.db2.gz JVOIXXWUFPKVKH-UHFFFAOYSA-N 1 2 241.360 2.600 20 0 BFADLO CCO[C@@H](C)COc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228328635 976120368 /nfs/dbraw/zinc/12/03/68/976120368.db2.gz HQWCZLIKIVSSNO-VIFPVBQESA-N 1 2 234.299 2.675 20 0 BFADLO CCOC[C@@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327669 976123587 /nfs/dbraw/zinc/12/35/87/976123587.db2.gz SXOJCORHHXIWJA-SECBINFHSA-N 1 2 234.299 2.675 20 0 BFADLO CCOC[C@H](C)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327670 976124171 /nfs/dbraw/zinc/12/41/71/976124171.db2.gz SXOJCORHHXIWJA-VIFPVBQESA-N 1 2 234.299 2.675 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3C=CCC3)cc2[nH+]1 ZINC001228329550 976130197 /nfs/dbraw/zinc/13/01/97/976130197.db2.gz NIFGLWJBWAXHEF-JTQLQIEISA-N 1 2 214.268 2.969 20 0 BFADLO COc1cc(NC2=CCCC2)c(C)c[nH+]1 ZINC001173999487 976153025 /nfs/dbraw/zinc/15/30/25/976153025.db2.gz PXVBNNQHCVELQO-UHFFFAOYSA-N 1 2 204.273 2.878 20 0 BFADLO Cc1n[nH]c(C)c1Nc1ccc(C)[nH+]c1C ZINC001174213449 976391172 /nfs/dbraw/zinc/39/11/72/976391172.db2.gz ZYWFVAOPSIKPLW-UHFFFAOYSA-N 1 2 216.288 2.782 20 0 BFADLO CCCn1cc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001174222240 976416464 /nfs/dbraw/zinc/41/64/64/976416464.db2.gz VTMUGQDMUCFIHJ-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO Cn1c2ccccc2[nH+]c1Nc1cncc(F)c1 ZINC001174288331 976448920 /nfs/dbraw/zinc/44/89/20/976448920.db2.gz CBEPJWZZZBRJKQ-UHFFFAOYSA-N 1 2 242.257 2.851 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cn[nH]c2)cc1 ZINC001174299056 976486820 /nfs/dbraw/zinc/48/68/20/976486820.db2.gz CCOQUQQGFGDOCA-UHFFFAOYSA-N 1 2 216.288 2.609 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cn[nH]c2)cc1 ZINC001174299056 976486826 /nfs/dbraw/zinc/48/68/26/976486826.db2.gz CCOQUQQGFGDOCA-UHFFFAOYSA-N 1 2 216.288 2.609 20 0 BFADLO COc1cc(Nc2cc[nH+]c(SC)c2)ccn1 ZINC001174306031 976518194 /nfs/dbraw/zinc/51/81/94/976518194.db2.gz UOONZYHNEKAYJK-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO c1cn2cccc(Nc3cccc4n[nH]cc43)c2[nH+]1 ZINC001174343066 976563054 /nfs/dbraw/zinc/56/30/54/976563054.db2.gz PBABTAOZKXRXMO-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cn2cccc(Nc3cccc4[nH]ncc43)c2[nH+]1 ZINC001174343066 976563066 /nfs/dbraw/zinc/56/30/66/976563066.db2.gz PBABTAOZKXRXMO-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2cc(C)cc(C)n2)CCO1 ZINC001334625067 976568091 /nfs/dbraw/zinc/56/80/91/976568091.db2.gz ILGRILMNLJDLLV-OAHLLOKOSA-N 1 2 248.370 2.699 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CCO1 ZINC001334625067 976568101 /nfs/dbraw/zinc/56/81/01/976568101.db2.gz ILGRILMNLJDLLV-OAHLLOKOSA-N 1 2 248.370 2.699 20 0 BFADLO c1cc2cc(Nc3cccc4[nH+]ccn43)cnc2[nH]1 ZINC001174393976 976584964 /nfs/dbraw/zinc/58/49/64/976584964.db2.gz CBAWIXRZXLLKTO-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO CCOc1cc(Nc2cnn(C)c2C)cc(C)[nH+]1 ZINC001174388382 976640059 /nfs/dbraw/zinc/64/00/59/976640059.db2.gz HLVUGRLRYWUYTG-UHFFFAOYSA-N 1 2 246.314 2.574 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cncnc2)cc1 ZINC001174389471 976648810 /nfs/dbraw/zinc/64/88/10/976648810.db2.gz VHRUFMJIKIUZCP-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cncnc2)cc1 ZINC001174389471 976648826 /nfs/dbraw/zinc/64/88/26/976648826.db2.gz VHRUFMJIKIUZCP-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO C[NH+]1CC(Oc2ccc3sccc3c2)C1 ZINC001229123514 976765361 /nfs/dbraw/zinc/76/53/61/976765361.db2.gz DGMMEYMGVKLYQM-UHFFFAOYSA-N 1 2 219.309 2.594 20 0 BFADLO Cc1n[nH]cc1Nc1cc(Cl)c2[nH+]ccn2c1 ZINC001174471219 976776196 /nfs/dbraw/zinc/77/61/96/976776196.db2.gz BVCWFQBEJOZQPJ-UHFFFAOYSA-N 1 2 247.689 2.763 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)c(OC)c1 ZINC001174540913 976831214 /nfs/dbraw/zinc/83/12/14/976831214.db2.gz JYQHXBLYWQSULC-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO CCCSC[C@H](C)[NH2+][C@H](C)c1noc(C)n1 ZINC001335060508 976831527 /nfs/dbraw/zinc/83/15/27/976831527.db2.gz AOAFZJMRPLSFDS-DTWKUNHWSA-N 1 2 243.376 2.560 20 0 BFADLO CC(C)=CNc1ccccc1C[NH+]1CCOCC1 ZINC001174555782 976860830 /nfs/dbraw/zinc/86/08/30/976860830.db2.gz MRAUCHBGONDEKW-UHFFFAOYSA-N 1 2 246.354 2.854 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2CCO)cc1C ZINC001174632546 976902070 /nfs/dbraw/zinc/90/20/70/976902070.db2.gz IBCNUNKXOFVBMZ-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO Fc1cccnc1C[N@@H+]1CCc2ccccc2C1 ZINC001204145954 976951945 /nfs/dbraw/zinc/95/19/45/976951945.db2.gz PYGWUQYSPAGXAR-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccnc1C[N@H+]1CCc2ccccc2C1 ZINC001204145954 976951952 /nfs/dbraw/zinc/95/19/52/976951952.db2.gz PYGWUQYSPAGXAR-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO COc1cccc2c(OC3C[NH+](C)C3)cccc12 ZINC001229811135 976989113 /nfs/dbraw/zinc/98/91/13/976989113.db2.gz LTWILFVDQQJOLZ-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO C=CNc1cc[nH+]c2ccc(Cl)cc12 ZINC001174780866 976996389 /nfs/dbraw/zinc/99/63/89/976996389.db2.gz ZDMFYJPHTSQETJ-UHFFFAOYSA-N 1 2 204.660 2.866 20 0 BFADLO C=CNc1cc(OC(F)(F)F)cc[nH+]1 ZINC001174782307 976998032 /nfs/dbraw/zinc/99/80/32/976998032.db2.gz VZRVFXGXYFNLDN-UHFFFAOYSA-N 1 2 204.151 2.536 20 0 BFADLO Cc1cncc(Nc2cccn3cc[nH+]c23)c1 ZINC001174754327 977050073 /nfs/dbraw/zinc/05/00/73/977050073.db2.gz GUGRTSUWKURFIH-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Cc1cncc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001174755933 977054237 /nfs/dbraw/zinc/05/42/37/977054237.db2.gz QSTWEANHYJZRDN-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO COCc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC001174917191 977162713 /nfs/dbraw/zinc/16/27/13/977162713.db2.gz WHLUPZPAKVWOIM-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1N ZINC001174934947 977172815 /nfs/dbraw/zinc/17/28/15/977172815.db2.gz GURSJLRUSAXQDI-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1cc(F)c(F)cc1OC1C[NH+](C(C)C)C1 ZINC001230446388 977208850 /nfs/dbraw/zinc/20/88/50/977208850.db2.gz KZIWZKAONNCLOE-UHFFFAOYSA-N 1 2 241.281 2.745 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(O)cc1 ZINC001175038477 977230081 /nfs/dbraw/zinc/23/00/81/977230081.db2.gz HOFAWNHPQVTVPV-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)c(O)c1 ZINC001175341659 977362002 /nfs/dbraw/zinc/36/20/02/977362002.db2.gz HPTMVXAIAPUUHZ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1cc(O)cc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001175345308 977364672 /nfs/dbraw/zinc/36/46/72/977364672.db2.gz WLANEGTXTKCIGT-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CN(C)c1ccc(Nc2cc(N)ccc2F)c[nH+]1 ZINC001175344302 977364712 /nfs/dbraw/zinc/36/47/12/977364712.db2.gz DGNDAMNVTRLULQ-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1O ZINC001175344064 977366582 /nfs/dbraw/zinc/36/65/82/977366582.db2.gz RVJJGZHDJFWFQU-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO c1c[nH+]c(-c2ccc(OC3CCOCC3)cc2)[nH]1 ZINC001231084202 977471927 /nfs/dbraw/zinc/47/19/27/977471927.db2.gz ZRGPJXRYLBFBNH-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C[N@@H+]1CCCC(=Nc2cc(C3CCC3)no2)C1 ZINC001175574534 977569951 /nfs/dbraw/zinc/56/99/51/977569951.db2.gz YWUYNBIVJSXNTC-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO C[N@H+]1CCCC(=Nc2cc(C3CCC3)no2)C1 ZINC001175574534 977569962 /nfs/dbraw/zinc/56/99/62/977569962.db2.gz YWUYNBIVJSXNTC-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO CC(=O)c1ccc(F)c(NC2=CCC[N@@H+](C)C2)c1 ZINC001175581122 977601816 /nfs/dbraw/zinc/60/18/16/977601816.db2.gz YYNSNDSESVGQCW-UHFFFAOYSA-N 1 2 248.301 2.660 20 0 BFADLO CC(=O)c1ccc(F)c(NC2=CCC[N@H+](C)C2)c1 ZINC001175581122 977601824 /nfs/dbraw/zinc/60/18/24/977601824.db2.gz YYNSNDSESVGQCW-UHFFFAOYSA-N 1 2 248.301 2.660 20 0 BFADLO COc1cc[nH+]c(Nc2cnn(C3CCC3)c2)c1 ZINC001175755404 977711390 /nfs/dbraw/zinc/71/13/90/977711390.db2.gz YQAJXOLXKQZPDB-UHFFFAOYSA-N 1 2 244.298 2.755 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231730475 977715307 /nfs/dbraw/zinc/71/53/07/977715307.db2.gz BHHCSSIWQQEQFX-QMMMGPOBSA-N 1 2 211.692 2.640 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231730475 977715328 /nfs/dbraw/zinc/71/53/28/977715328.db2.gz BHHCSSIWQQEQFX-QMMMGPOBSA-N 1 2 211.692 2.640 20 0 BFADLO CCc1ccc(N(CC)C[C@@H]2CCOC2)[nH+]c1 ZINC001336547784 977767503 /nfs/dbraw/zinc/76/75/03/977767503.db2.gz CTNVQGRRZGJONB-ZDUSSCGKSA-N 1 2 234.343 2.507 20 0 BFADLO Fc1ccc(Nc2ccn3cc[nH+]c3c2)nc1 ZINC001175849639 977776579 /nfs/dbraw/zinc/77/65/79/977776579.db2.gz PGTPWCDBVLLUPA-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO CNc1cc(-c2cc(C)cc(O)c2)cc[nH+]1 ZINC001206255734 977790633 /nfs/dbraw/zinc/79/06/33/977790633.db2.gz OEWWSFOAJCRQIG-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CCc1ccc(N2CCC(CCOC)CC2)[nH+]c1 ZINC001336703353 977869556 /nfs/dbraw/zinc/86/95/56/977869556.db2.gz MMOXPFIGQHZETP-UHFFFAOYSA-N 1 2 248.370 2.897 20 0 BFADLO Cc1scnc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001232204704 977929394 /nfs/dbraw/zinc/92/93/94/977929394.db2.gz VTVDNYAGRHHQAH-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1scnc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001232204704 977929404 /nfs/dbraw/zinc/92/94/04/977929404.db2.gz VTVDNYAGRHHQAH-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccnc(C(C)(C)C)c2)CCO1 ZINC001232214314 977944383 /nfs/dbraw/zinc/94/43/83/977944383.db2.gz PCASUHPBCQEGHI-GFCCVEGCSA-N 1 2 248.370 2.600 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCO1 ZINC001232214314 977944397 /nfs/dbraw/zinc/94/43/97/977944397.db2.gz PCASUHPBCQEGHI-GFCCVEGCSA-N 1 2 248.370 2.600 20 0 BFADLO COc1cc[nH+]cc1Nc1ccnc(Cl)c1 ZINC001176116561 977944497 /nfs/dbraw/zinc/94/44/97/977944497.db2.gz GDEBOXIAHGEUTK-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)c(C)n1 ZINC001176116857 977946100 /nfs/dbraw/zinc/94/61/00/977946100.db2.gz NLHNMLMBPDYNRS-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1nc2c(s1)CCC2 ZINC001176116410 977948003 /nfs/dbraw/zinc/94/80/03/977948003.db2.gz BVTCCCLYXQHVLL-UHFFFAOYSA-N 1 2 247.323 2.779 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(F)ccc1F ZINC001176119065 977949758 /nfs/dbraw/zinc/94/97/58/977949758.db2.gz NWCAIYNHXWHBIN-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(Cl)cn1 ZINC001176119758 977949926 /nfs/dbraw/zinc/94/99/26/977949926.db2.gz YHMWWBYTZCKLHZ-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1cn(C2CCC2)cn1 ZINC001176119491 977951892 /nfs/dbraw/zinc/95/18/92/977951892.db2.gz VEPRHUBHQAFFFC-UHFFFAOYSA-N 1 2 244.298 2.755 20 0 BFADLO COc1cc[nH+]cc1Nc1csc(C)n1 ZINC001176121405 977952246 /nfs/dbraw/zinc/95/22/46/977952246.db2.gz HLZKOTMJZIBIML-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c(c1)COC2 ZINC001176121758 977956503 /nfs/dbraw/zinc/95/65/03/977956503.db2.gz OHQMASCRHQUZNL-UHFFFAOYSA-N 1 2 242.278 2.864 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc([C@H](C)O)cc1 ZINC001176121559 977957516 /nfs/dbraw/zinc/95/75/16/977957516.db2.gz XPVAGFFMKJFNBC-JTQLQIEISA-N 1 2 244.294 2.887 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1cnsc1 ZINC001232227584 977957898 /nfs/dbraw/zinc/95/78/98/977957898.db2.gz PRUZJQHMYQUQMG-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1cnsc1 ZINC001232227584 977957911 /nfs/dbraw/zinc/95/79/11/977957911.db2.gz PRUZJQHMYQUQMG-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cc[nH+]cc1-n1ccc2c1cccc2N ZINC001176123152 977959617 /nfs/dbraw/zinc/95/96/17/977959617.db2.gz NWPZNASAOBQDFL-UHFFFAOYSA-N 1 2 239.278 2.616 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1[C@@H](C)O ZINC001176125016 977962767 /nfs/dbraw/zinc/96/27/67/977962767.db2.gz WOQRGWQCFDDYHC-SNVBAGLBSA-N 1 2 244.294 2.887 20 0 BFADLO CSc1cc(Nc2ccc(=O)[nH]c2)cc[nH+]1 ZINC001176129505 977968844 /nfs/dbraw/zinc/96/88/44/977968844.db2.gz ZVPZRSLWFXHJAM-UHFFFAOYSA-N 1 2 233.296 2.648 20 0 BFADLO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C(=O)OC(C)(C)C ZINC001336826059 977978395 /nfs/dbraw/zinc/97/83/95/977978395.db2.gz OHOGKOBHYJFNJN-DCAQKATOSA-N 1 2 245.338 2.587 20 0 BFADLO FC(F)CCCNc1cc(NC2CC2)nc[nH+]1 ZINC001336823632 977988284 /nfs/dbraw/zinc/98/82/84/977988284.db2.gz GMTVNBFHGVJSDQ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO FC(F)CCCNc1cc(NC2CC2)[nH+]cn1 ZINC001336823632 977988299 /nfs/dbraw/zinc/98/82/99/977988299.db2.gz GMTVNBFHGVJSDQ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO Cc1ncc(Nc2[nH+]c(C)ccc2C)cn1 ZINC001176393632 978053525 /nfs/dbraw/zinc/05/35/25/978053525.db2.gz LWKZUTCUWGVYTC-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO C(c1n[nH]c2c1CCC2)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001232425214 978064931 /nfs/dbraw/zinc/06/49/31/978064931.db2.gz VIQNAPKMOROJBY-TXEJJXNPSA-N 1 2 245.370 2.520 20 0 BFADLO C(c1n[nH]c2c1CCC2)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001232425214 978064942 /nfs/dbraw/zinc/06/49/42/978064942.db2.gz VIQNAPKMOROJBY-TXEJJXNPSA-N 1 2 245.370 2.520 20 0 BFADLO CC[N@H+](Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232458818 978084959 /nfs/dbraw/zinc/08/49/59/978084959.db2.gz TUUOHFWCTUSKPH-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO CC[N@@H+](Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232458818 978084968 /nfs/dbraw/zinc/08/49/68/978084968.db2.gz TUUOHFWCTUSKPH-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccc(C)c(C)c2)[nH]1 ZINC001232466352 978116045 /nfs/dbraw/zinc/11/60/45/978116045.db2.gz XWJOZNGYJQPPNO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccc(C)c(C)c2)[nH]1 ZINC001232466352 978116056 /nfs/dbraw/zinc/11/60/56/978116056.db2.gz XWJOZNGYJQPPNO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)c(C)c2)c[nH]1 ZINC001232466352 978116065 /nfs/dbraw/zinc/11/60/65/978116065.db2.gz XWJOZNGYJQPPNO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(C)c(C)c2)c[nH]1 ZINC001232466352 978116075 /nfs/dbraw/zinc/11/60/75/978116075.db2.gz XWJOZNGYJQPPNO-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cccc(F)c1C[N@H+](C)Cc1ccncn1 ZINC001232486020 978137627 /nfs/dbraw/zinc/13/76/27/978137627.db2.gz HUGALKROCGJXLG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(F)c1C[N@@H+](C)Cc1ccncn1 ZINC001232486020 978137637 /nfs/dbraw/zinc/13/76/37/978137637.db2.gz HUGALKROCGJXLG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)n[nH]1 ZINC001337042685 978138806 /nfs/dbraw/zinc/13/88/06/978138806.db2.gz RFRDCZQQNKUYRB-OAHLLOKOSA-N 1 2 241.338 2.535 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cc(F)ccn2)cn1 ZINC001232498643 978153628 /nfs/dbraw/zinc/15/36/28/978153628.db2.gz JDNZVEZTWLXYFE-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cc(F)ccn2)cn1 ZINC001232498643 978153635 /nfs/dbraw/zinc/15/36/35/978153635.db2.gz JDNZVEZTWLXYFE-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO COC1C[NH+](Cc2ccc3ccsc3c2)C1 ZINC001232609995 978189978 /nfs/dbraw/zinc/18/99/78/978189978.db2.gz CNTLQOPGSMTKCW-UHFFFAOYSA-N 1 2 233.336 2.732 20 0 BFADLO c1cc2ccc(C[N@@H+]3CCC34COC4)cc2s1 ZINC001232611005 978195677 /nfs/dbraw/zinc/19/56/77/978195677.db2.gz CYGWKYJZWSTKQT-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO c1cc2ccc(C[N@H+]3CCC34COC4)cc2s1 ZINC001232611005 978195687 /nfs/dbraw/zinc/19/56/87/978195687.db2.gz CYGWKYJZWSTKQT-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO c1cc2ccc(C[NH+]3CC4(CCO4)C3)cc2s1 ZINC001232612850 978195904 /nfs/dbraw/zinc/19/59/04/978195904.db2.gz POTZWIUHRMSGSI-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO CCCCOC1C[NH+](Cc2ccccc2NC)C1 ZINC001232671708 978224454 /nfs/dbraw/zinc/22/44/54/978224454.db2.gz QQDWNQWYWNHJEX-UHFFFAOYSA-N 1 2 248.370 2.729 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccc2ncsc2c1 ZINC001232737174 978255442 /nfs/dbraw/zinc/25/54/42/978255442.db2.gz UMFTYQBOKCQPPW-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccc2ncsc2c1 ZINC001232737174 978255446 /nfs/dbraw/zinc/25/54/46/978255446.db2.gz UMFTYQBOKCQPPW-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO COCC[N@H+](C)Cc1ccc(F)c(F)c1Cl ZINC001232873913 978317448 /nfs/dbraw/zinc/31/74/48/978317448.db2.gz KQOVQOLOBKNQRB-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COCC[N@@H+](C)Cc1ccc(F)c(F)c1Cl ZINC001232873913 978317458 /nfs/dbraw/zinc/31/74/58/978317458.db2.gz KQOVQOLOBKNQRB-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932128 978342382 /nfs/dbraw/zinc/34/23/82/978342382.db2.gz CJBLPZSHZXRWKI-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932128 978342389 /nfs/dbraw/zinc/34/23/89/978342389.db2.gz CJBLPZSHZXRWKI-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO CCCC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811275 978375175 /nfs/dbraw/zinc/37/51/75/978375175.db2.gz ABLVBEIVSDEJFK-VOTSOKGWSA-N 1 2 235.331 2.506 20 0 BFADLO CCC/C=C/C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811275 978375186 /nfs/dbraw/zinc/37/51/86/978375186.db2.gz ABLVBEIVSDEJFK-VOTSOKGWSA-N 1 2 235.331 2.506 20 0 BFADLO Oc1cc(C[N@@H+]2CCC3(CC3)C2)cc(F)c1F ZINC001232971145 978377773 /nfs/dbraw/zinc/37/77/73/978377773.db2.gz VTQOGPMVFXSKKB-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1cc(C[N@H+]2CCC3(CC3)C2)cc(F)c1F ZINC001232971145 978377784 /nfs/dbraw/zinc/37/77/84/978377784.db2.gz VTQOGPMVFXSKKB-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Cc1cc(CNC(=O)c2cccs2)cc(C)[nH+]1 ZINC001597955992 978394570 /nfs/dbraw/zinc/39/45/70/978394570.db2.gz JFOCHYZOFFIOCL-UHFFFAOYSA-N 1 2 246.335 2.690 20 0 BFADLO C[N@H+](Cc1cc(Cl)ncc1O)C(C)(C)C ZINC001233035303 978417660 /nfs/dbraw/zinc/41/76/60/978417660.db2.gz DAYDWWVVGABPMC-UHFFFAOYSA-N 1 2 228.723 2.671 20 0 BFADLO C[N@@H+](Cc1cc(Cl)ncc1O)C(C)(C)C ZINC001233035303 978417665 /nfs/dbraw/zinc/41/76/65/978417665.db2.gz DAYDWWVVGABPMC-UHFFFAOYSA-N 1 2 228.723 2.671 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CCC1CCC1 ZINC001337640473 978440025 /nfs/dbraw/zinc/44/00/25/978440025.db2.gz QAADYUMUTUCCNX-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO Oc1cccc(C[N@@H+]2CCCC[C@H](F)C2)c1F ZINC001233050564 978442035 /nfs/dbraw/zinc/44/20/35/978442035.db2.gz PWKXXARUAUJYSQ-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cccc(C[N@H+]2CCCC[C@H](F)C2)c1F ZINC001233050564 978442049 /nfs/dbraw/zinc/44/20/49/978442049.db2.gz PWKXXARUAUJYSQ-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(C)c(C)c1 ZINC001233160587 978478841 /nfs/dbraw/zinc/47/88/41/978478841.db2.gz BARFHTIIYMYZAP-OAHLLOKOSA-N 1 2 246.354 2.642 20 0 BFADLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(C)c(C)c1 ZINC001233160587 978478852 /nfs/dbraw/zinc/47/88/52/978478852.db2.gz BARFHTIIYMYZAP-OAHLLOKOSA-N 1 2 246.354 2.642 20 0 BFADLO Cc1cnsc1C[NH+]1Cc2ccccc2C1 ZINC001233318154 978552415 /nfs/dbraw/zinc/55/24/15/978552415.db2.gz RXHNKKBIMWUZMX-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CCc1ccc(N2CCC[C@@](C)(F)C2)[nH+]c1 ZINC001337895450 978555251 /nfs/dbraw/zinc/55/52/51/978555251.db2.gz PSZRWAIVRWMJFI-CYBMUJFWSA-N 1 2 222.307 2.972 20 0 BFADLO CC[N@H+](Cc1sncc1C)Cc1ccccn1 ZINC001233321169 978558263 /nfs/dbraw/zinc/55/82/63/978558263.db2.gz CLFVKTKSTURIBZ-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1sncc1C)Cc1ccccn1 ZINC001233321169 978558267 /nfs/dbraw/zinc/55/82/67/978558267.db2.gz CLFVKTKSTURIBZ-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CCC(CC)Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001249927970 978694541 /nfs/dbraw/zinc/69/45/41/978694541.db2.gz FNYDSXLRSJLPAE-UHFFFAOYSA-N 1 2 248.370 2.897 20 0 BFADLO C[C@@H](C[NH2+]Cc1ncn[nH]1)CC1CCCCC1 ZINC001179842780 978763209 /nfs/dbraw/zinc/76/32/09/978763209.db2.gz WVTNWQIVSVZNDP-LLVKDONJSA-N 1 2 236.363 2.501 20 0 BFADLO CCOC1CCN(c2ccc(CC)c[nH+]2)CC1 ZINC001339545900 978868376 /nfs/dbraw/zinc/86/83/76/978868376.db2.gz WDUOSSPPTXDILR-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO CCN(C[C@H]1CCCO1)c1cc(F)cc(C)[nH+]1 ZINC001339547282 978868739 /nfs/dbraw/zinc/86/87/39/978868739.db2.gz OIMRZDXHCAIHEV-GFCCVEGCSA-N 1 2 238.306 2.534 20 0 BFADLO Cc1[nH]c(CN2CCc3ccsc3C2)c(C)[nH+]1 ZINC001234635013 978879859 /nfs/dbraw/zinc/87/98/59/978879859.db2.gz JUZQFIDRNRJQLG-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO CCc1ccc(N2CCC[C@](C)(OC)C2)[nH+]c1 ZINC001339692697 978895481 /nfs/dbraw/zinc/89/54/81/978895481.db2.gz VNVVVJHXKYQHKI-AWEZNQCLSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1ccc(Nc2cc(F)ccn2)c(C)[nH+]1 ZINC001203363516 978911839 /nfs/dbraw/zinc/91/18/39/978911839.db2.gz UUCJLSDZSPOAPP-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO C[NH+]1CC(Oc2cccc3cc(F)ccc32)C1 ZINC001234844692 978912740 /nfs/dbraw/zinc/91/27/40/978912740.db2.gz FSYQHLJVLSURDF-UHFFFAOYSA-N 1 2 231.270 2.672 20 0 BFADLO CCOC(=O)CCCCc1c[nH+]cc(C)c1C ZINC001249981133 978928679 /nfs/dbraw/zinc/92/86/79/978928679.db2.gz GHRJJAOAZQZZHU-UHFFFAOYSA-N 1 2 235.327 2.974 20 0 BFADLO CC1(C)CCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235416479 979042875 /nfs/dbraw/zinc/04/28/75/979042875.db2.gz JRIIWSXZDJUMPZ-UHFFFAOYSA-N 1 2 225.723 2.504 20 0 BFADLO CC1(C)CCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235416479 979042881 /nfs/dbraw/zinc/04/28/81/979042881.db2.gz JRIIWSXZDJUMPZ-UHFFFAOYSA-N 1 2 225.723 2.504 20 0 BFADLO CC(C)(C)OC(=O)n1cccc1C[NH+]1CC=CC1 ZINC001235622627 979107127 /nfs/dbraw/zinc/10/71/27/979107127.db2.gz CHMFWPCAYKXAPH-UHFFFAOYSA-N 1 2 248.326 2.643 20 0 BFADLO Fc1ccc2nc(C[N@@H+]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC001235701709 979127506 /nfs/dbraw/zinc/12/75/06/979127506.db2.gz RGDFDZQPCGGJBR-RNCFNFMXSA-N 1 2 245.301 2.686 20 0 BFADLO Fc1ccc2nc(C[N@H+]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC001235701709 979127513 /nfs/dbraw/zinc/12/75/13/979127513.db2.gz RGDFDZQPCGGJBR-RNCFNFMXSA-N 1 2 245.301 2.686 20 0 BFADLO Cc1ccc(Nc2cc[nH]c(=O)c2)c(C)[nH+]1 ZINC001203367774 979257018 /nfs/dbraw/zinc/25/70/18/979257018.db2.gz OXRIHURDXZSHPN-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncccc2F)CCC1(F)F ZINC001182175086 979469493 /nfs/dbraw/zinc/46/94/93/979469493.db2.gz VCOBFRWXJISVLZ-SECBINFHSA-N 1 2 244.260 2.698 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncccc2F)CCC1(F)F ZINC001182175086 979469498 /nfs/dbraw/zinc/46/94/98/979469498.db2.gz VCOBFRWXJISVLZ-SECBINFHSA-N 1 2 244.260 2.698 20 0 BFADLO Cc1ccc(Nc2cn(CCF)cn2)c(C)[nH+]1 ZINC001203370265 979474916 /nfs/dbraw/zinc/47/49/16/979474916.db2.gz YOZFSJWHHVLPAF-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO Nc1ccc(-c2ccc3nscc3c2)c[nH+]1 ZINC001236312885 979518373 /nfs/dbraw/zinc/51/83/73/979518373.db2.gz BBEAEFYDLZBTQU-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1ccc(-c2ccc3csnc3c2)c[nH+]1 ZINC001236313783 979523000 /nfs/dbraw/zinc/52/30/00/979523000.db2.gz XTSYDTKHSAZEGO-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO C[Si](C)(C)c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236316080 979528408 /nfs/dbraw/zinc/52/84/08/979528408.db2.gz LCJZKQJJWCDRSR-UHFFFAOYSA-N 1 2 242.398 2.876 20 0 BFADLO COc1cccc(Br)c1C[NH+](C)C ZINC001236670377 979687951 /nfs/dbraw/zinc/68/79/51/979687951.db2.gz RVEDNLOMIFDYHF-UHFFFAOYSA-N 1 2 244.132 2.519 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@@H]2C)c(F)cc1F ZINC001236818213 979747162 /nfs/dbraw/zinc/74/71/62/979747162.db2.gz RFDARLZCFSSGBJ-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(C[N@H+]2CC[C@@H]2C)c(F)cc1F ZINC001236818213 979747176 /nfs/dbraw/zinc/74/71/76/979747176.db2.gz RFDARLZCFSSGBJ-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1cc(Br)c(C[NH+](C)C)cc1O ZINC001237294180 979862283 /nfs/dbraw/zinc/86/22/83/979862283.db2.gz HLFAYDMDSWLAKU-UHFFFAOYSA-N 1 2 244.132 2.525 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@H+]1CCC(=O)C[C@H]1C ZINC001237317192 979864020 /nfs/dbraw/zinc/86/40/20/979864020.db2.gz JTMOGHJKSKJLDV-GFCCVEGCSA-N 1 2 249.329 2.996 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001237317192 979864023 /nfs/dbraw/zinc/86/40/23/979864023.db2.gz JTMOGHJKSKJLDV-GFCCVEGCSA-N 1 2 249.329 2.996 20 0 BFADLO CSCCSCc1cc[nH+]c(N(C)C)c1 ZINC001342691059 979865002 /nfs/dbraw/zinc/86/50/02/979865002.db2.gz IKIGQBUOKSQNOO-UHFFFAOYSA-N 1 2 242.413 2.744 20 0 BFADLO Fc1cc(C[N@@H+]2CCC3(CC3)C2)cnc1Cl ZINC001237401020 979886440 /nfs/dbraw/zinc/88/64/40/979886440.db2.gz NODASYPDAHLJEU-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cc(C[N@H+]2CCC3(CC3)C2)cnc1Cl ZINC001237401020 979886447 /nfs/dbraw/zinc/88/64/47/979886447.db2.gz NODASYPDAHLJEU-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO CCn1c[nH+]cc1CN1CCCCC(F)(F)C1 ZINC001237587925 979945331 /nfs/dbraw/zinc/94/53/31/979945331.db2.gz KHBQOZKDYYFNER-UHFFFAOYSA-N 1 2 243.301 2.524 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@H](OC)C2)nc(CC)[nH+]1 ZINC001343022882 979981452 /nfs/dbraw/zinc/98/14/52/979981452.db2.gz ZKODPYDMTQEDGY-NEPJUHHUSA-N 1 2 249.358 2.581 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC001237635177 979982745 /nfs/dbraw/zinc/98/27/45/979982745.db2.gz JVUQOQSRGZFACS-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC001237635177 979982754 /nfs/dbraw/zinc/98/27/54/979982754.db2.gz JVUQOQSRGZFACS-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[NH+]2CC3(C2)CCCCC3)n1 ZINC001237648233 979998218 /nfs/dbraw/zinc/99/82/18/979998218.db2.gz FEHMDDAFCFVTDP-UHFFFAOYSA-N 1 2 220.316 2.749 20 0 BFADLO CCCOC1C[NH+](Cc2cc(OC)ccc2C)C1 ZINC001237714217 980034241 /nfs/dbraw/zinc/03/42/41/980034241.db2.gz TWSSMLNSGILLII-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccn2)ccc1F ZINC001237812942 980058341 /nfs/dbraw/zinc/05/83/41/980058341.db2.gz GXWDGJKTAXAKRF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccn2)ccc1F ZINC001237812942 980058351 /nfs/dbraw/zinc/05/83/51/980058351.db2.gz GXWDGJKTAXAKRF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccc1F ZINC001237815726 980065430 /nfs/dbraw/zinc/06/54/30/980065430.db2.gz WMVPXUPQAFDQBC-NOZJJQNGSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccc1F ZINC001237815726 980065444 /nfs/dbraw/zinc/06/54/44/980065444.db2.gz WMVPXUPQAFDQBC-NOZJJQNGSA-N 1 2 240.297 2.709 20 0 BFADLO FC(F)(F)CCc1ccn2cc[nH+]c2c1 ZINC001250149444 980077715 /nfs/dbraw/zinc/07/77/15/980077715.db2.gz YPMHYKZHJNRKCW-UHFFFAOYSA-N 1 2 214.190 2.829 20 0 BFADLO COc1ccoc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001237863529 980101244 /nfs/dbraw/zinc/10/12/44/980101244.db2.gz NVBDFRCDOGLFCZ-SNVBAGLBSA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccoc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001237863529 980101245 /nfs/dbraw/zinc/10/12/45/980101245.db2.gz NVBDFRCDOGLFCZ-SNVBAGLBSA-N 1 2 227.279 2.612 20 0 BFADLO Cc1c(F)cccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000073392017 980110704 /nfs/dbraw/zinc/11/07/04/980110704.db2.gz CMWMSAXULBGOLT-SNVBAGLBSA-N 1 2 247.273 2.530 20 0 BFADLO Fc1cc(Cl)c(C[NH+]2CCCCC2)cn1 ZINC001238021518 980130811 /nfs/dbraw/zinc/13/08/11/980130811.db2.gz DHLSPDGILLDWPE-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C)ccc1C ZINC001238069674 980137885 /nfs/dbraw/zinc/13/78/85/980137885.db2.gz XFAUHEYBWIVXAH-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C[N@H+]2CCOC[C@H]2C)ccc1C ZINC001238069674 980137894 /nfs/dbraw/zinc/13/78/94/980137894.db2.gz XFAUHEYBWIVXAH-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1(C)CC1 ZINC001343587688 980159362 /nfs/dbraw/zinc/15/93/62/980159362.db2.gz FYIUPYLGLDYRPN-UHFFFAOYSA-N 1 2 245.330 2.546 20 0 BFADLO CC1(CC(=O)Nc2cc[nH+]c3c2CCC3)CCC1 ZINC001185091587 980168555 /nfs/dbraw/zinc/16/85/55/980168555.db2.gz JIQGQQXRAFVFCN-UHFFFAOYSA-N 1 2 244.338 2.511 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238184435 980211276 /nfs/dbraw/zinc/21/12/76/980211276.db2.gz KTDWIGVULAOPJY-CQSZACIVSA-N 1 2 234.318 2.893 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238184435 980211285 /nfs/dbraw/zinc/21/12/85/980211285.db2.gz KTDWIGVULAOPJY-CQSZACIVSA-N 1 2 234.318 2.893 20 0 BFADLO COc1c(C[NH+]2CC(C)(C)C2)ccc(F)c1F ZINC001238476574 980277338 /nfs/dbraw/zinc/27/73/38/980277338.db2.gz VDZXXTXDRKEXGS-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCc1cc(N2CC[C@@H](CC)C2)nc(CC)[nH+]1 ZINC001185707609 980281581 /nfs/dbraw/zinc/28/15/81/980281581.db2.gz DTQDLIKEQUZBBF-LLVKDONJSA-N 1 2 233.359 2.838 20 0 BFADLO CSc1ncc(C)cc1C[N@@H+]1CC[C@H](F)C1 ZINC001238710363 980314616 /nfs/dbraw/zinc/31/46/16/980314616.db2.gz NTXSJXWGOCMUIX-NSHDSACASA-N 1 2 240.347 2.656 20 0 BFADLO CSc1ncc(C)cc1C[N@H+]1CC[C@H](F)C1 ZINC001238710363 980314623 /nfs/dbraw/zinc/31/46/23/980314623.db2.gz NTXSJXWGOCMUIX-NSHDSACASA-N 1 2 240.347 2.656 20 0 BFADLO FC(F)n1cc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001238865959 980353474 /nfs/dbraw/zinc/35/34/74/980353474.db2.gz UXPCKKQVTZBAFW-UHFFFAOYSA-N 1 2 234.209 2.593 20 0 BFADLO Cc1cn2c(cccc2-c2cnn(C(F)F)c2)[nH+]1 ZINC001238866115 980353499 /nfs/dbraw/zinc/35/34/99/980353499.db2.gz WHDUAHVHKAUYIN-UHFFFAOYSA-N 1 2 248.236 2.901 20 0 BFADLO CCCCOc1ncc(-c2c[nH+]cn2C)cc1C ZINC001238962947 980395602 /nfs/dbraw/zinc/39/56/02/980395602.db2.gz ACVCRFJGYTYZKU-UHFFFAOYSA-N 1 2 245.326 2.969 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnccc2F)c1 ZINC001203660371 980516433 /nfs/dbraw/zinc/51/64/33/980516433.db2.gz GZDVNPHOTQFUKB-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(O)cc2O)c1 ZINC001203660432 980517120 /nfs/dbraw/zinc/51/71/20/980517120.db2.gz JWSJQDWLGJIJFF-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO CNc1ccc(-c2[nH+]ccc3[nH]ccc32)c(F)n1 ZINC001239399569 980560635 /nfs/dbraw/zinc/56/06/35/980560635.db2.gz XMUOACBTNJMALM-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO Nc1cn2ccc(-c3ccccc3)cc2[nH+]1 ZINC001239467296 980592844 /nfs/dbraw/zinc/59/28/44/980592844.db2.gz WMBUDFUMAFTOSN-UHFFFAOYSA-N 1 2 209.252 2.584 20 0 BFADLO COc1cccc(Cc2ccc3[nH+]ccn3c2)c1 ZINC001250264677 980593766 /nfs/dbraw/zinc/59/37/66/980593766.db2.gz CWEXUCGBUDVSMF-UHFFFAOYSA-N 1 2 238.290 2.934 20 0 BFADLO C/C(=C/C(=O)OCC(C)(C)n1cc[nH+]c1)C1CC1 ZINC001345333469 980600814 /nfs/dbraw/zinc/60/08/14/980600814.db2.gz XEOYRKUESDFQJO-FLIBITNWSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(C)n1 ZINC001239470343 980600739 /nfs/dbraw/zinc/60/07/39/980600739.db2.gz KUDARRXLROFNAO-UHFFFAOYSA-N 1 2 239.322 2.761 20 0 BFADLO Cc1ccc(-c2nc3c(ccn3C)c[nH+]2)cc1 ZINC001239477185 980616172 /nfs/dbraw/zinc/61/61/72/980616172.db2.gz SEECCBGUFHSLOD-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001239536558 980712816 /nfs/dbraw/zinc/71/28/16/980712816.db2.gz RBKAJPJVEZBNMQ-UHFFFAOYSA-N 1 2 202.232 2.929 20 0 BFADLO COCCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250302972 980715949 /nfs/dbraw/zinc/71/59/49/980715949.db2.gz OBJHDDWKJWZLLU-UHFFFAOYSA-N 1 2 230.311 2.510 20 0 BFADLO Cc1ccc(CCn2cc[nH+]c2)c(C)c1 ZINC001250315047 980754650 /nfs/dbraw/zinc/75/46/50/980754650.db2.gz BVUMMSSCBQBZKZ-UHFFFAOYSA-N 1 2 200.285 2.743 20 0 BFADLO CSc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316768 980759560 /nfs/dbraw/zinc/75/95/60/980759560.db2.gz XFWYGUHZAYQPPO-UHFFFAOYSA-N 1 2 218.325 2.848 20 0 BFADLO Cc1cn2c(cccc2-c2ccncc2)[nH+]1 ZINC001239609476 980803885 /nfs/dbraw/zinc/80/38/85/980803885.db2.gz FKNXTBFWKDQNFC-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Clc1ccc(CNc2cccc[nH+]2)cn1 ZINC000076852461 980805178 /nfs/dbraw/zinc/80/51/78/980805178.db2.gz UAMIJMYDMHAGAL-UHFFFAOYSA-N 1 2 219.675 2.742 20 0 BFADLO COC(=[NH2+])c1cccc(-c2ccoc2)c1 ZINC001239690322 980848255 /nfs/dbraw/zinc/84/82/55/980848255.db2.gz JQCSTGXKIIWGIL-UHFFFAOYSA-N 1 2 201.225 2.918 20 0 BFADLO COc1ncccc1-c1cn2cc[nH+]c2cc1C ZINC001239858766 981001184 /nfs/dbraw/zinc/00/11/84/981001184.db2.gz XMOXZTKELMTVLG-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001239974281 981078317 /nfs/dbraw/zinc/07/83/17/981078317.db2.gz QXEVKGHDBFDLBC-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cn1c[nH+]cc1-c1cc(F)cc2[nH]ccc21 ZINC001240027003 981109059 /nfs/dbraw/zinc/10/90/59/981109059.db2.gz AWYQUZLRUGYBBK-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO Nc1cc(-c2cc(F)cc3[nH]ccc32)cc[nH+]1 ZINC001240032817 981109214 /nfs/dbraw/zinc/10/92/14/981109214.db2.gz IBHIZRHHSNFGER-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO COc1ccc(F)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001240118512 981115692 /nfs/dbraw/zinc/11/56/92/981115692.db2.gz VIWIWVUJSQPHPI-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1cn2cc(-c3c(C)n[nH]c3C)ccc2[nH+]1 ZINC001240125993 981124081 /nfs/dbraw/zinc/12/40/81/981124081.db2.gz FDRUIQDYRYMXKD-UHFFFAOYSA-N 1 2 226.283 2.650 20 0 BFADLO c1cn(-c2cccc(Nc3cnoc3)c2)c[nH+]1 ZINC001203238193 981146231 /nfs/dbraw/zinc/14/62/31/981146231.db2.gz PLYKNMJWPCBINK-UHFFFAOYSA-N 1 2 226.239 2.604 20 0 BFADLO CC(C)c1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240214034 981161261 /nfs/dbraw/zinc/16/12/61/981161261.db2.gz KJFGCAGUHGNUAZ-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO CNc1cc(-c2ccc3n[nH]cc3c2)cc[nH+]1 ZINC001240213059 981161289 /nfs/dbraw/zinc/16/12/89/981161289.db2.gz DLOAOIZGSKOVKV-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO c1cn2cc(-c3ccc4cnccc4n3)ccc2[nH+]1 ZINC001240213332 981162448 /nfs/dbraw/zinc/16/24/48/981162448.db2.gz CZWIAXXYXXVGQW-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CSc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240216346 981164250 /nfs/dbraw/zinc/16/42/50/981164250.db2.gz FXWIUQZAQMXJSH-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Fc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217611 981166138 /nfs/dbraw/zinc/16/61/38/981166138.db2.gz JTHHMNNDLZKUEA-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cn2c(cccc2-c2ccc3[nH+]ccn3c2)n1 ZINC001240218006 981166722 /nfs/dbraw/zinc/16/67/22/981166722.db2.gz VYEFTQCMCAYAFD-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Fc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240217660 981167154 /nfs/dbraw/zinc/16/71/54/981167154.db2.gz LFJAOXAAIFJIPZ-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO CCOc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240217091 981167515 /nfs/dbraw/zinc/16/75/15/981167515.db2.gz AXUQVMINDFUABQ-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO Cc1nnc(-c2ccc3[nH+]ccn3c2)c(C)c1C ZINC001240217669 981167793 /nfs/dbraw/zinc/16/77/93/981167793.db2.gz UDIFNQQIWGXEDV-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO COc1cccc(N)c1-c1ccc2[nH+]ccn2c1 ZINC001240218503 981169505 /nfs/dbraw/zinc/16/95/05/981169505.db2.gz OZKOPARDJXQLOK-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CCc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219318 981169920 /nfs/dbraw/zinc/16/99/20/981169920.db2.gz GCCJEDUOWKNRIQ-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO CCOc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001240219548 981170047 /nfs/dbraw/zinc/17/00/47/981170047.db2.gz MTHVDEIJRRMJPP-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO c1cn2cc(-c3cccc4c3NCC4)ccc2[nH+]1 ZINC001240218274 981170666 /nfs/dbraw/zinc/17/06/66/981170666.db2.gz JBYZJMKYKCTNQT-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO Cc1cc(F)nc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219126 981171143 /nfs/dbraw/zinc/17/11/43/981171143.db2.gz AQPCTNNRAFHKQT-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CC(C)c1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240221501 981174783 /nfs/dbraw/zinc/17/47/83/981174783.db2.gz UBDVRSFXQZDHQX-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Fc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001240234364 981191409 /nfs/dbraw/zinc/19/14/09/981191409.db2.gz ARXJMVZQMWVNOA-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)sn1 ZINC001193022147 981225964 /nfs/dbraw/zinc/22/59/64/981225964.db2.gz OZOYNKOZGQLYHA-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO CCC/C(C)=C/C(=O)OCc1c[nH+]cn1CC ZINC001347974002 981231044 /nfs/dbraw/zinc/23/10/44/981231044.db2.gz YPGIMIVTNDMPQP-YRNVUSSQSA-N 1 2 236.315 2.693 20 0 BFADLO Cc1cc(F)cc(N2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC001348031465 981252952 /nfs/dbraw/zinc/25/29/52/981252952.db2.gz MSNLSPUYGMNYRF-UWVGGRQHSA-N 1 2 208.280 2.906 20 0 BFADLO c1cn2ccc(-c3cccc4n[nH]cc43)cc2[nH+]1 ZINC001240312930 981285727 /nfs/dbraw/zinc/28/57/27/981285727.db2.gz SJUOFAPHLYCZNE-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCc1ccc(N2CC[C@@H](C)[C@H](OC)C2)[nH+]c1 ZINC001348115091 981288434 /nfs/dbraw/zinc/28/84/34/981288434.db2.gz ATPXKUMNCRLULF-DGCLKSJQSA-N 1 2 234.343 2.505 20 0 BFADLO Cc1cccc([C@@H]([NH2+]Cc2nnc[nH]2)C(C)C)c1 ZINC001348248833 981317189 /nfs/dbraw/zinc/31/71/89/981317189.db2.gz ROZRPMJKCSQBHR-AWEZNQCLSA-N 1 2 244.342 2.600 20 0 BFADLO c1cn2ccc(-c3nccc4ccncc43)cc2[nH+]1 ZINC001240496132 981415738 /nfs/dbraw/zinc/41/57/38/981415738.db2.gz HAKWYAHZGALGTH-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CSc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240497231 981418207 /nfs/dbraw/zinc/41/82/07/981418207.db2.gz NXSKISPXBFOXOC-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO CCOc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496675 981418759 /nfs/dbraw/zinc/41/87/59/981418759.db2.gz PQQOREGAPADINC-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO Cc1cnc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240503127 981430178 /nfs/dbraw/zinc/43/01/78/981430178.db2.gz GRZVEIRBXKQNKQ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cnc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240503337 981430499 /nfs/dbraw/zinc/43/04/99/981430499.db2.gz LQDYHZGQIKZKEH-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CCc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001240510806 981435880 /nfs/dbraw/zinc/43/58/80/981435880.db2.gz SPBNWUSNKVFUGS-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Nc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240513665 981437955 /nfs/dbraw/zinc/43/79/55/981437955.db2.gz YQSKXFSBUAKGGI-UHFFFAOYSA-N 1 2 209.252 2.584 20 0 BFADLO Cc1nccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001240513349 981439848 /nfs/dbraw/zinc/43/98/48/981439848.db2.gz NEDUFQHBYHNMQE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cn1cnc2cccc(-c3ccn4cc[nH+]c4c3)c21 ZINC001240517704 981445302 /nfs/dbraw/zinc/44/53/02/981445302.db2.gz CFKHTCWGGAMZGK-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1c(-c2ccn3ccnc3c2)ccc2[nH+]ccn21 ZINC001240517788 981446161 /nfs/dbraw/zinc/44/61/61/981446161.db2.gz GAZKORPBVJWIPS-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1n[nH]cc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001240521211 981451132 /nfs/dbraw/zinc/45/11/32/981451132.db2.gz CVXQECVHTBNPBJ-UHFFFAOYSA-N 1 2 238.294 2.630 20 0 BFADLO CN(C)c1cc(-c2ccc3c[nH]nc3c2)cc[nH+]1 ZINC001240556918 981477455 /nfs/dbraw/zinc/47/74/55/981477455.db2.gz FKAOTKGDFZGKPG-UHFFFAOYSA-N 1 2 238.294 2.691 20 0 BFADLO Cc1cc(-c2ccc3c[nH]nc3c2)c[nH+]c1N ZINC001240558250 981480300 /nfs/dbraw/zinc/48/03/00/981480300.db2.gz ZYAMVIDRBYFZPT-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC[C@@H](F)C1 ZINC001331531081 981487097 /nfs/dbraw/zinc/48/70/97/981487097.db2.gz FQOWXWGZAHUQMA-NXEZZACHSA-N 1 2 224.279 2.783 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2)CCC1=O ZINC001203784083 981508897 /nfs/dbraw/zinc/50/88/97/981508897.db2.gz DYGZKCLFVSDLGD-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)CCC1=O ZINC001203784083 981508904 /nfs/dbraw/zinc/50/89/04/981508904.db2.gz DYGZKCLFVSDLGD-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cccc(F)c2)CCC1=O ZINC001203784084 981509300 /nfs/dbraw/zinc/50/93/00/981509300.db2.gz DYGZKCLFVSDLGD-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2)CCC1=O ZINC001203784084 981509303 /nfs/dbraw/zinc/50/93/03/981509303.db2.gz DYGZKCLFVSDLGD-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)ccc1O ZINC001240615062 981511711 /nfs/dbraw/zinc/51/17/11/981511711.db2.gz BMCJZWIGNZAOOU-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CNc1cc(-c2ccc(O)c(OC)c2)cc[nH+]1 ZINC001240617079 981514383 /nfs/dbraw/zinc/51/43/83/981514383.db2.gz RHMFNFVHUDCFBW-UHFFFAOYSA-N 1 2 230.267 2.505 20 0 BFADLO Cc1cc(C[N@H+](C)CCC(C)(C)C)n[nH]1 ZINC001349410107 981549971 /nfs/dbraw/zinc/54/99/71/981549971.db2.gz MLIYHTOMXDJYCG-UHFFFAOYSA-N 1 2 209.337 2.586 20 0 BFADLO Cc1cc(C[N@@H+](C)CCC(C)(C)C)n[nH]1 ZINC001349410107 981549980 /nfs/dbraw/zinc/54/99/80/981549980.db2.gz MLIYHTOMXDJYCG-UHFFFAOYSA-N 1 2 209.337 2.586 20 0 BFADLO Oc1ccc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240696613 981606040 /nfs/dbraw/zinc/60/60/40/981606040.db2.gz TXWTUFBQXKNEPN-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Oc1ccc(F)cc1-c1c[nH+]c2c(c1)CCCN2 ZINC001240697427 981611798 /nfs/dbraw/zinc/61/17/98/981611798.db2.gz IBZNDYJKTJXYHK-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO CCn1nccc1-c1ccc2[nH+]c(C)cn2c1 ZINC001240703458 981659830 /nfs/dbraw/zinc/65/98/30/981659830.db2.gz UDGQMKFHSCYJTK-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Nc1cc(-c2cccc3[nH]ccc32)cc[nH+]1 ZINC001240711603 981691546 /nfs/dbraw/zinc/69/15/46/981691546.db2.gz SCBHBXBBPNMAAC-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO CC(C)(C)COC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001194359908 981736302 /nfs/dbraw/zinc/73/63/02/981736302.db2.gz DZPKXTDGDMRMRS-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CC[C@H](C)C1 ZINC001349792378 981743080 /nfs/dbraw/zinc/74/30/80/981743080.db2.gz VSJGIUDUYKMBMZ-JLATVTFTSA-N 1 2 244.338 2.805 20 0 BFADLO CC[C@H](C)COC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001194763597 981893193 /nfs/dbraw/zinc/89/31/93/981893193.db2.gz OFPPRBDMCUXMQV-JTQLQIEISA-N 1 2 247.298 2.929 20 0 BFADLO CC(C)Cn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240887570 981940409 /nfs/dbraw/zinc/94/04/09/981940409.db2.gz FRAVAHYYPQLDID-UHFFFAOYSA-N 1 2 240.310 2.854 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1N ZINC001240962570 982037275 /nfs/dbraw/zinc/03/72/75/982037275.db2.gz RJOURFLHACQFDH-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CNc1cc(-c2ccc(C)c(N)c2)cc[nH+]1 ZINC001240963968 982040569 /nfs/dbraw/zinc/04/05/69/982040569.db2.gz HWFPTUMUMMUHTG-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO COc1cccc(F)c1-c1cc(N(C)C)cc[nH+]1 ZINC001241007797 982095648 /nfs/dbraw/zinc/09/56/48/982095648.db2.gz JGVNTEMXLMFWFG-UHFFFAOYSA-N 1 2 246.285 2.962 20 0 BFADLO c1cn(Cc2cccc(Nc3cnoc3)c2)c[nH+]1 ZINC001203240002 982150830 /nfs/dbraw/zinc/15/08/30/982150830.db2.gz IRVLQLJMQNNLFA-UHFFFAOYSA-N 1 2 240.266 2.663 20 0 BFADLO Oc1cc(F)c(-c2cccc3[nH+]ccn32)c(F)c1 ZINC001241122312 982247896 /nfs/dbraw/zinc/24/78/96/982247896.db2.gz LSYPXISQPUVBJF-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Nc1cc(-c2ccc(F)c3cc[nH]c32)cc[nH+]1 ZINC001241163243 982301341 /nfs/dbraw/zinc/30/13/41/982301341.db2.gz RMSZZIYCDBQAQR-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1cc(-c2ccc(C(F)F)nc2)cc[nH+]1 ZINC001241162785 982303903 /nfs/dbraw/zinc/30/39/03/982303903.db2.gz LUSJDNZBSHWMOH-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO CC(=O)Nc1ccc(C)c(-c2cc[nH+]c(N)c2)c1 ZINC001241163345 982304961 /nfs/dbraw/zinc/30/49/61/982304961.db2.gz LYWUKHGLULUTKN-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Cc1c(-c2cc[nH+]c(N)c2)cncc1C1CC1 ZINC001241169774 982310358 /nfs/dbraw/zinc/31/03/58/982310358.db2.gz BHEYMCCICLFOIV-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Nc1cc(-c2ccc(OCC3CC3)nc2)cc[nH+]1 ZINC001241169685 982312363 /nfs/dbraw/zinc/31/23/63/982312363.db2.gz KVWNQJXODZHQBL-UHFFFAOYSA-N 1 2 241.294 2.515 20 0 BFADLO Nc1cc(-c2ccc3nscc3c2)cc[nH+]1 ZINC001241170519 982316869 /nfs/dbraw/zinc/31/68/69/982316869.db2.gz MGLCFDZXISGFCZ-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1cc(-c2ccc(OC3CCC3)nc2)cc[nH+]1 ZINC001241170423 982318317 /nfs/dbraw/zinc/31/83/17/982318317.db2.gz MUNKTQQOJGCDIW-UHFFFAOYSA-N 1 2 241.294 2.657 20 0 BFADLO Cc1cn2c(cccc2-c2ccncc2F)[nH+]1 ZINC001241226134 982369096 /nfs/dbraw/zinc/36/90/96/982369096.db2.gz NEWPPROSYOBJRA-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)nc(C)n1 ZINC001241227740 982378172 /nfs/dbraw/zinc/37/81/72/982378172.db2.gz BJIJQHIEUZOETC-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1 ZINC001241228802 982380697 /nfs/dbraw/zinc/38/06/97/982380697.db2.gz QQJYKRWJZULFHD-UHFFFAOYSA-N 1 2 227.311 2.826 20 0 BFADLO COc1cnccc1-c1c[nH+]c(N(C)C)cc1C ZINC001241243246 982386728 /nfs/dbraw/zinc/38/67/28/982386728.db2.gz PCBUURWAUJNKJS-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO CC(=O)c1ccc(C(C)=CC=C[NH3+])cc1F ZINC001241259003 982397882 /nfs/dbraw/zinc/39/78/82/982397882.db2.gz AIQYTUTYADAWND-DDEWIXKASA-N 1 2 219.259 2.904 20 0 BFADLO CC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241258798 982398603 /nfs/dbraw/zinc/39/86/03/982398603.db2.gz PZFKPAKXWIBKNM-UHFFFAOYSA-N 1 2 230.242 2.673 20 0 BFADLO Cc1cc(NC2CSC2)nc(C2CCC2)[nH+]1 ZINC001352066058 982451907 /nfs/dbraw/zinc/45/19/07/982451907.db2.gz ZNLWPRCNVHSOIZ-UHFFFAOYSA-N 1 2 235.356 2.580 20 0 BFADLO COc1ncc(C)cc1-c1cccc2[nH+]ccn21 ZINC001241363280 982520312 /nfs/dbraw/zinc/52/03/12/982520312.db2.gz BKSGFRBUIPVRFH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Nc1cccc(-c2ccc(-n3cccn3)cc2)[nH+]1 ZINC001241389685 982546892 /nfs/dbraw/zinc/54/68/92/982546892.db2.gz FRTHLNZIDPJBSX-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO CNc1cc(-c2ccc(F)c(OC)c2)cc[nH+]1 ZINC001241419655 982568722 /nfs/dbraw/zinc/56/87/22/982568722.db2.gz KBZKGKZBKGVVCR-UHFFFAOYSA-N 1 2 232.258 2.938 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ncccc1F ZINC001241541380 982728446 /nfs/dbraw/zinc/72/84/46/982728446.db2.gz PRYJUNCWYPQQTE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccc(N)cc1 ZINC001241544181 982746737 /nfs/dbraw/zinc/74/67/37/982746737.db2.gz YSRSXKRVGQJVKN-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1c(-c2ncccc2F)ccc2[nH+]ccn21 ZINC001241547697 982760617 /nfs/dbraw/zinc/76/06/17/982760617.db2.gz ZMNIJUGVLVQYPA-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCCOc1cccc(-c2c[nH+]cn2C)c1 ZINC001241589972 982838158 /nfs/dbraw/zinc/83/81/58/982838158.db2.gz GQORBKOLPLUBSD-UHFFFAOYSA-N 1 2 216.284 2.876 20 0 BFADLO Cc1cc(-c2ccc3cn(C)nc3c2)c[nH+]c1N ZINC001241601852 982841518 /nfs/dbraw/zinc/84/15/18/982841518.db2.gz IJCGRWCMVOGBHL-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CSc1ccc(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001241634853 982872288 /nfs/dbraw/zinc/87/22/88/982872288.db2.gz KCRPHLPXMRAYQX-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO COc1cc(-c2cc3[nH]ccc3c[nH+]2)c(F)cn1 ZINC001241660750 982895543 /nfs/dbraw/zinc/89/55/43/982895543.db2.gz FHQHSSBXHISAKS-UHFFFAOYSA-N 1 2 243.241 2.773 20 0 BFADLO CCOc1ccc(-c2cccc3[nH+]ccn32)cn1 ZINC001241703929 982962673 /nfs/dbraw/zinc/96/26/73/982962673.db2.gz ICCGJQRYLOCPPQ-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO COC(=O)[C@@H]([NH3+])c1ccc(C2=CCCCC2)cc1 ZINC001241718669 982991552 /nfs/dbraw/zinc/99/15/52/982991552.db2.gz RGYGOEZGAHWSDY-AWEZNQCLSA-N 1 2 245.322 2.817 20 0 BFADLO c1cn2c(cccc2-c2cnn(C3CCC3)c2)[nH+]1 ZINC001241722098 983001466 /nfs/dbraw/zinc/00/14/66/983001466.db2.gz BQQGLKKCLASORB-UHFFFAOYSA-N 1 2 238.294 2.923 20 0 BFADLO CCCn1nc(C)cc1-c1c[nH+]c(N)c(C)c1 ZINC001241763918 983037666 /nfs/dbraw/zinc/03/76/66/983037666.db2.gz HNJKAHYGWCKMCA-UHFFFAOYSA-N 1 2 230.315 2.554 20 0 BFADLO Cc1cc(-c2nc3[nH]ccc3c[nH+]2)cc(C)c1N ZINC001241881914 983090834 /nfs/dbraw/zinc/09/08/34/983090834.db2.gz UGPNNUNLDIVGOJ-UHFFFAOYSA-N 1 2 238.294 2.776 20 0 BFADLO Cc1c(-c2cnn(C3CC3)c2)ccc2[nH+]ccn21 ZINC001241910433 983125419 /nfs/dbraw/zinc/12/54/19/983125419.db2.gz QRSVYQKRUMSHFO-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO Nc1ccc(Nc2ccc(C(F)F)nc2)c[nH+]1 ZINC001201279711 983156506 /nfs/dbraw/zinc/15/65/06/983156506.db2.gz YWEVDMKZJLBJOB-UHFFFAOYSA-N 1 2 236.225 2.740 20 0 BFADLO CC(C)c1ncsc1Nc1ccc(N)[nH+]c1 ZINC001201284707 983156637 /nfs/dbraw/zinc/15/66/37/983156637.db2.gz XBXGZTJIVBAXGP-UHFFFAOYSA-N 1 2 234.328 2.987 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)c(C)cc1O ZINC001201284116 983157039 /nfs/dbraw/zinc/15/70/39/983157039.db2.gz KANPACMIKWMNNC-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1ccc(N)c(Nc2ccc(N)[nH+]c2)c1C ZINC001201286845 983163500 /nfs/dbraw/zinc/16/35/00/983163500.db2.gz DCVFTACCMPNIGR-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO Nc1ccc(Nc2cccc3ocnc32)c[nH+]1 ZINC001201286863 983163843 /nfs/dbraw/zinc/16/38/43/983163843.db2.gz DYDGPTNRFMKQNP-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1ccc(Nc2cc(O)ccc2Cl)c[nH+]1 ZINC001201292488 983168036 /nfs/dbraw/zinc/16/80/36/983168036.db2.gz OTSCVWXPNIRMJK-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO CCc1ccc(N2CC[C@@H](OCC(C)C)C2)[nH+]c1 ZINC001354131752 983168467 /nfs/dbraw/zinc/16/84/67/983168467.db2.gz LBOMFGMEXOGAHX-CQSZACIVSA-N 1 2 248.370 2.895 20 0 BFADLO CC(=O)c1ccc(C)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201292183 983169060 /nfs/dbraw/zinc/16/90/60/983169060.db2.gz KYEPFWKVHODLJC-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO CC(=O)c1c(F)cccc1Nc1ccc(N)[nH+]c1 ZINC001201292229 983169645 /nfs/dbraw/zinc/16/96/45/983169645.db2.gz LSVAZQDMHLFMQT-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO Nc1ccc(Nc2cc(C3CCC3)no2)c[nH+]1 ZINC001201272086 983170970 /nfs/dbraw/zinc/17/09/70/983170970.db2.gz IJAKVYUGJNIQFY-UHFFFAOYSA-N 1 2 230.271 2.663 20 0 BFADLO Cc1cnc(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201276242 983176316 /nfs/dbraw/zinc/17/63/16/983176316.db2.gz QOJHDPQQFUBFSO-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(C(C)(C)C)n1 ZINC001201273000 983176692 /nfs/dbraw/zinc/17/66/92/983176692.db2.gz YNBHVUHYHMHKPT-UHFFFAOYSA-N 1 2 245.330 2.667 20 0 BFADLO CC(C)c1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201272884 983176748 /nfs/dbraw/zinc/17/67/48/983176748.db2.gz VQRXPBQOEXNTQO-UHFFFAOYSA-N 1 2 218.260 2.519 20 0 BFADLO CCc1cccc(O)c1Nc1ccc(N)[nH+]c1 ZINC001201300181 983180868 /nfs/dbraw/zinc/18/08/68/983180868.db2.gz OHOPTJVCFMXOQE-UHFFFAOYSA-N 1 2 229.283 2.675 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CNC3=O)cc(C)[nH+]1 ZINC001241991294 983183508 /nfs/dbraw/zinc/18/35/08/983183508.db2.gz AWSPHILWVCLDNO-UHFFFAOYSA-N 1 2 238.290 2.609 20 0 BFADLO Cc1cc(-c2cc3nc[nH]c3nc2C)cc(C)[nH+]1 ZINC001241992100 983184755 /nfs/dbraw/zinc/18/47/55/983184755.db2.gz BEDQNIRJUWRLSZ-UHFFFAOYSA-N 1 2 238.294 2.945 20 0 BFADLO Cc1cc(-c2ccc(C(N)=S)cc2)cc(C)[nH+]1 ZINC001241995717 983190423 /nfs/dbraw/zinc/19/04/23/983190423.db2.gz RDFPVNFPLRGNSM-UHFFFAOYSA-N 1 2 242.347 3.000 20 0 BFADLO c1cn2ccc(NC3=CCSCC3)cc2[nH+]1 ZINC001201333733 983191233 /nfs/dbraw/zinc/19/12/33/983191233.db2.gz JGCINNCFAYPMEA-UHFFFAOYSA-N 1 2 231.324 2.767 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1C1=CCSCC1 ZINC001201340599 983193906 /nfs/dbraw/zinc/19/39/06/983193906.db2.gz CTXLFZQBHXKUGK-UHFFFAOYSA-N 1 2 245.351 2.905 20 0 BFADLO c1c[nH+]c(-c2ccc(O[C@@H]3CCCCO3)cc2)[nH]1 ZINC001242017466 983218923 /nfs/dbraw/zinc/21/89/23/983218923.db2.gz MADWZPOGHNEGDK-CYBMUJFWSA-N 1 2 244.294 2.982 20 0 BFADLO CO[C@@H](C)c1cccc(-c2c[nH+]cn2C)c1 ZINC001242023125 983233630 /nfs/dbraw/zinc/23/36/30/983233630.db2.gz CUDXJUPCZSPYNM-JTQLQIEISA-N 1 2 216.284 2.795 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])c(F)cc1F ZINC001242045340 983249704 /nfs/dbraw/zinc/24/97/04/983249704.db2.gz UQEKVKXNBMSHRA-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC(=O)C1 ZINC001201490405 983259161 /nfs/dbraw/zinc/25/91/61/983259161.db2.gz KKBPHLGNHWTRMJ-GFCCVEGCSA-N 1 2 209.333 2.644 20 0 BFADLO CC(C)=CCC[C@@H](C)C[N@H+]1CCC(=O)C1 ZINC001201490405 983259164 /nfs/dbraw/zinc/25/91/64/983259164.db2.gz KKBPHLGNHWTRMJ-GFCCVEGCSA-N 1 2 209.333 2.644 20 0 BFADLO CCc1ccc(N2C[C@@H](C)OCC[C@H]2C)[nH+]c1 ZINC001354352286 983291993 /nfs/dbraw/zinc/29/19/93/983291993.db2.gz VJSQZSRFZNXVDK-VXGBXAGGSA-N 1 2 234.343 2.648 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncc2ccccc2n1 ZINC001242068570 983296780 /nfs/dbraw/zinc/29/67/80/983296780.db2.gz RRRBBCQZUIFVJZ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CNc1ccc(-c2cccc3[nH+]c(C)cn32)cn1 ZINC001242069295 983298505 /nfs/dbraw/zinc/29/85/05/983298505.db2.gz KHKOBXUTFNFOEF-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO Cc1noc(C)c1-c1cc(C)cn2cc[nH+]c12 ZINC001242106671 983350557 /nfs/dbraw/zinc/35/05/57/983350557.db2.gz LZYIWPYGXOLWMZ-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO CC(=CC=C[NH3+])c1ccc2c(c1)CCC2=O ZINC001242156391 983383871 /nfs/dbraw/zinc/38/38/71/983383871.db2.gz CUSOHQQVGUEHEG-LFQLTVTGSA-N 1 2 213.280 2.691 20 0 BFADLO CNc1cc(-c2ccc3c(c2)CCC3=O)cc[nH+]1 ZINC001242157402 983385597 /nfs/dbraw/zinc/38/55/97/983385597.db2.gz NVHDKNDCAURPPH-UHFFFAOYSA-N 1 2 238.290 2.919 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2ccccc2C)n1C ZINC001202176611 983583378 /nfs/dbraw/zinc/58/33/78/983583378.db2.gz PGZSFVDLRVBZNU-UHFFFAOYSA-N 1 2 244.298 2.681 20 0 BFADLO CN(C)c1cc[nH+]c(-c2cccc(F)c2O)c1 ZINC001242349891 983618105 /nfs/dbraw/zinc/61/81/05/983618105.db2.gz XKAHQSMWTCOYHD-UHFFFAOYSA-N 1 2 232.258 2.659 20 0 BFADLO Oc1c(F)cccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001242352913 983626690 /nfs/dbraw/zinc/62/66/90/983626690.db2.gz GDWJKVXCDYFWLV-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cnc(C)c(N)c1 ZINC001242410983 983719095 /nfs/dbraw/zinc/71/90/95/983719095.db2.gz SGUZTGMACIOOQG-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Nc1cncc(-c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001242499374 983821075 /nfs/dbraw/zinc/82/10/75/983821075.db2.gz SEIYWLAVMQYGEJ-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO CCc1ncccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001242524094 983845434 /nfs/dbraw/zinc/84/54/34/983845434.db2.gz SJXLOKYTWKTVHW-UHFFFAOYSA-N 1 2 238.294 2.541 20 0 BFADLO COCOc1ccc(-c2ccc(N)[nH+]c2)c(C)c1 ZINC001242536917 983857031 /nfs/dbraw/zinc/85/70/31/983857031.db2.gz FZFFFZGODICTFB-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CCc3occc3C2)cn1 ZINC001137080551 983917860 /nfs/dbraw/zinc/91/78/60/983917860.db2.gz LNYMAZPQGTZVMJ-UHFFFAOYSA-N 1 2 245.326 2.615 20 0 BFADLO CC(C)n1cc(C[N@H+]2CCc3occc3C2)cn1 ZINC001137080551 983917873 /nfs/dbraw/zinc/91/78/73/983917873.db2.gz LNYMAZPQGTZVMJ-UHFFFAOYSA-N 1 2 245.326 2.615 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cnoc2C)c1 ZINC001242603611 983958306 /nfs/dbraw/zinc/95/83/06/983958306.db2.gz FKBWMUUWLDTYRZ-UHFFFAOYSA-N 1 2 216.240 2.622 20 0 BFADLO Fc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC001137129001 983961862 /nfs/dbraw/zinc/96/18/62/983961862.db2.gz JUXQRVOXJLLIJZ-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC001137129001 983961866 /nfs/dbraw/zinc/96/18/66/983961866.db2.gz JUXQRVOXJLLIJZ-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO CC(=O)c1cc(-c2cc(C)[nH+]c(C)c2)ccn1 ZINC001242608208 983967913 /nfs/dbraw/zinc/96/79/13/983967913.db2.gz BAKNGOCNBHXQTO-UHFFFAOYSA-N 1 2 226.279 2.963 20 0 BFADLO Cc1csc(C[N@@H+]2Cc3cccnc3C2)c1 ZINC001137152330 983982351 /nfs/dbraw/zinc/98/23/51/983982351.db2.gz NTRZGAMFWHUIBG-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1csc(C[N@H+]2Cc3cccnc3C2)c1 ZINC001137152330 983982377 /nfs/dbraw/zinc/98/23/77/983982377.db2.gz NTRZGAMFWHUIBG-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc([C@H](C)O)cc1 ZINC001242646341 984018130 /nfs/dbraw/zinc/01/81/30/984018130.db2.gz OPDNZNNGSMFWQI-ZNIQACPLSA-N 1 2 203.285 2.616 20 0 BFADLO Cc1ccc(CO)cc1-c1cccc2[nH+]ccn21 ZINC001242668422 984033871 /nfs/dbraw/zinc/03/38/71/984033871.db2.gz OGKNQCWATQSQFN-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Nc1c(F)cc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001242839330 984187487 /nfs/dbraw/zinc/18/74/87/984187487.db2.gz PXEMQQTWAQIAAM-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO c1cn2cc(-c3c[nH]c4ncccc34)ccc2[nH+]1 ZINC001242862119 984203630 /nfs/dbraw/zinc/20/36/30/984203630.db2.gz DPCCNFXJFLHKDL-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(-c2c[nH]c3ncccc23)c[nH+]c1N ZINC001242863368 984206886 /nfs/dbraw/zinc/20/68/86/984206886.db2.gz ZBHADFJLSIUPGQ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1n[nH]cc1-c1ccccc1Cn1cc[nH+]c1 ZINC001240521202 984315662 /nfs/dbraw/zinc/31/56/62/984315662.db2.gz CKXUEIMCDZAWMM-UHFFFAOYSA-N 1 2 238.294 2.630 20 0 BFADLO Cc1cc(-c2cnn3ccccc23)cn2cc[nH+]c12 ZINC001242965431 984328250 /nfs/dbraw/zinc/32/82/50/984328250.db2.gz AZYXSIHUMAZQFH-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO COc1cc(C)ccc1-c1ccc[nH+]c1N ZINC001242979160 984348361 /nfs/dbraw/zinc/34/83/61/984348361.db2.gz CRJSWSNCCLLLER-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Cc1c(CO)cccc1-c1cccn2cc[nH+]c12 ZINC001243014210 984370407 /nfs/dbraw/zinc/37/04/07/984370407.db2.gz AGNKVXLRRXSNMJ-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cn1c[nH+]cc1-c1cc2[nH]ccc2c(F)c1 ZINC001243066960 984477388 /nfs/dbraw/zinc/47/73/88/984477388.db2.gz DPUBUWGQUQSEEI-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2ncc(F)cc2c1 ZINC001243069286 984489425 /nfs/dbraw/zinc/48/94/25/984489425.db2.gz FIQMQXBTEFOYIZ-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1cc2[nH]ccc2c(-c2c[nH+]cn2C)c1 ZINC001243068473 984490419 /nfs/dbraw/zinc/49/04/19/984490419.db2.gz ZENFXZBGKKREEV-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CCOC(=O)c1cccc(-c2c[nH+]cn2C)c1C ZINC001243071488 984496588 /nfs/dbraw/zinc/49/65/88/984496588.db2.gz UFAPTADYENIGKZ-UHFFFAOYSA-N 1 2 244.294 2.572 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cc(F)cnc2c1 ZINC001243071138 984497358 /nfs/dbraw/zinc/49/73/58/984497358.db2.gz NRSZEAHEOIPLDU-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1[nH]c2ncc(-c3c[nH+]cn3C)cc2c1C ZINC001243071156 984497580 /nfs/dbraw/zinc/49/75/80/984497580.db2.gz OAPRAWODSWXDIH-UHFFFAOYSA-N 1 2 226.283 2.580 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)cc2ccoc21 ZINC001243071122 984498791 /nfs/dbraw/zinc/49/87/91/984498791.db2.gz MOJNACOQPFWWMX-UHFFFAOYSA-N 1 2 228.251 2.842 20 0 BFADLO O=C(CCCF)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001442515737 984498639 /nfs/dbraw/zinc/49/86/39/984498639.db2.gz GTZNNUZTZBAFFW-UHFFFAOYSA-N 1 2 247.273 2.765 20 0 BFADLO CC[C@H]([NH2+]Cc1nnc(C)o1)c1ccc(F)cc1 ZINC000718886014 984554771 /nfs/dbraw/zinc/55/47/71/984554771.db2.gz JZTJWTTUUXGKBT-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO Cc1ccc(-c2nc3c(ccn3C)c[nH+]2)cc1O ZINC001243226461 984735409 /nfs/dbraw/zinc/73/54/09/984735409.db2.gz HZIUEHAFCDYDSU-UHFFFAOYSA-N 1 2 239.278 2.649 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1ccc(O)c(F)c1F ZINC001243341315 984832012 /nfs/dbraw/zinc/83/20/12/984832012.db2.gz NRXDDKNIBMTZPH-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO COc1c(F)ccc(-c2ccc[nH+]c2N)c1F ZINC001243474463 985022284 /nfs/dbraw/zinc/02/22/84/985022284.db2.gz XFZYCYUXGHXCKI-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Nc1[nH+]cccc1-c1cc(F)ncc1C1CC1 ZINC001243474333 985022763 /nfs/dbraw/zinc/02/27/63/985022763.db2.gz KWYWSGZKUYQCFA-UHFFFAOYSA-N 1 2 229.258 2.742 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(OC2CCC2)nc1 ZINC001243476432 985031565 /nfs/dbraw/zinc/03/15/65/985031565.db2.gz AWVXSNSFAFNYES-UHFFFAOYSA-N 1 2 241.294 2.657 20 0 BFADLO Cc1cccc(F)c1-c1ccc[nH+]c1N ZINC001243475953 985033127 /nfs/dbraw/zinc/03/31/27/985033127.db2.gz NAIJURDYSWVUNS-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO CC[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001257449008 985046592 /nfs/dbraw/zinc/04/65/92/985046592.db2.gz YVEQOSVALZSMAR-VXGBXAGGSA-N 1 2 246.345 2.590 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(Cl)c(O)c1 ZINC001243578028 985132146 /nfs/dbraw/zinc/13/21/46/985132146.db2.gz JZWNJIQIUBUIPD-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO COC(=O)c1cc(/C(C)=C/C=C/[NH3+])ccc1C ZINC001243604482 985153210 /nfs/dbraw/zinc/15/32/10/985153210.db2.gz BPMZHZLYWAJYIF-DXNUHORPSA-N 1 2 231.295 2.657 20 0 BFADLO C/C(=C\C=C\N)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243656917 985154292 /nfs/dbraw/zinc/15/42/92/985154292.db2.gz HUSDAHHOHXWXFD-JRJWWQKUSA-N 1 2 239.322 2.807 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257516672 985184458 /nfs/dbraw/zinc/18/44/58/985184458.db2.gz MUMPBWFZLUUGFA-WDEREUQCSA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257516672 985184461 /nfs/dbraw/zinc/18/44/61/985184461.db2.gz MUMPBWFZLUUGFA-WDEREUQCSA-N 1 2 235.318 2.657 20 0 BFADLO Cc1nocc1-c1cc(C)cn2cc[nH+]c12 ZINC001243678464 985185137 /nfs/dbraw/zinc/18/51/37/985185137.db2.gz UUTADRGXATXJTL-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO Cc1cc(CO)cc(-c2ccc3[nH+]ccn3c2)c1 ZINC001243697433 985227721 /nfs/dbraw/zinc/22/77/21/985227721.db2.gz GYBXSTVBZYTTSK-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CCc1cc(N2CC[C@H]2C(C)C)nc(CC)[nH+]1 ZINC001458378912 985305180 /nfs/dbraw/zinc/30/51/80/985305180.db2.gz LCWOHSLSHPLJFK-LBPRGKRZSA-N 1 2 233.359 2.836 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(Cl)c2n[nH]cc21 ZINC001243780844 985320548 /nfs/dbraw/zinc/32/05/48/985320548.db2.gz XGVHBMAAOVRFGW-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO CO[C@@H]1CC=C(c2cccn3cc[nH+]c23)CC1 ZINC001243803245 985376878 /nfs/dbraw/zinc/37/68/78/985376878.db2.gz BJVRWSSXMZWZLP-GFCCVEGCSA-N 1 2 228.295 2.917 20 0 BFADLO CO[C@@H]1CC=C(c2ccn3cc[nH+]c3c2)CC1 ZINC001243808717 985388810 /nfs/dbraw/zinc/38/88/10/985388810.db2.gz UHBVIZIKSDYFBO-CYBMUJFWSA-N 1 2 228.295 2.917 20 0 BFADLO C[C@H]1COC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000687999766 985461346 /nfs/dbraw/zinc/46/13/46/985461346.db2.gz UTNSRFMOSGRSPY-SWLSCSKDSA-N 1 2 246.354 2.734 20 0 BFADLO C[C@@H](Cc1ccco1)[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001258184675 985582848 /nfs/dbraw/zinc/58/28/48/985582848.db2.gz ABYFASQBCJDROY-DCAQKATOSA-N 1 2 229.270 2.593 20 0 BFADLO C[C@@H](Cc1ccco1)[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001258184675 985582860 /nfs/dbraw/zinc/58/28/60/985582860.db2.gz ABYFASQBCJDROY-DCAQKATOSA-N 1 2 229.270 2.593 20 0 BFADLO CSc1cccnc1C1=C[NH2+]CCC1 ZINC001243948989 985635274 /nfs/dbraw/zinc/63/52/74/985635274.db2.gz IFZOVNXRCRBMBR-UHFFFAOYSA-N 1 2 206.314 2.528 20 0 BFADLO Cc1nnc(C2=C[NH2+]CCC2)c2ccccc12 ZINC001243949724 985640841 /nfs/dbraw/zinc/64/08/41/985640841.db2.gz XNHKLVGRLQMKDE-UHFFFAOYSA-N 1 2 225.295 2.663 20 0 BFADLO CSCC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001258213657 985644692 /nfs/dbraw/zinc/64/46/92/985644692.db2.gz URUXZMWYEAABLS-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CSCC[C@@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001258213657 985644703 /nfs/dbraw/zinc/64/47/03/985644703.db2.gz URUXZMWYEAABLS-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCc1cc2ncnc(C3=C[NH2+]CCC3)c2s1 ZINC001243950156 985646042 /nfs/dbraw/zinc/64/60/42/985646042.db2.gz WHGDBOGTVGVMNF-UHFFFAOYSA-N 1 2 245.351 2.978 20 0 BFADLO Clc1ccnc(C[N@@H+]2CC[C@H]3C[C@H]32)c1Cl ZINC001459894288 985656156 /nfs/dbraw/zinc/65/61/56/985656156.db2.gz XFMDXWUUYVOWNL-OIBJUYFYSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccnc(C[N@H+]2CC[C@H]3C[C@H]32)c1Cl ZINC001459894288 985656165 /nfs/dbraw/zinc/65/61/65/985656165.db2.gz XFMDXWUUYVOWNL-OIBJUYFYSA-N 1 2 243.137 2.983 20 0 BFADLO COc1c(F)ccc(F)c1C1=C[NH2+]CCC1 ZINC001243952655 985663012 /nfs/dbraw/zinc/66/30/12/985663012.db2.gz QBYUKZWYCODAKF-UHFFFAOYSA-N 1 2 225.238 2.698 20 0 BFADLO COc1cc(O)ccc1-c1ccc2[nH+]ccn2c1 ZINC001243978296 985703229 /nfs/dbraw/zinc/70/32/29/985703229.db2.gz IECWFCCAPCZIIS-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)CCCC3=O)c[nH+]1 ZINC001243988099 985723058 /nfs/dbraw/zinc/72/30/58/985723058.db2.gz CTVZTWORARPPRO-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1c(O)cccc1Cl ZINC001244030545 985765940 /nfs/dbraw/zinc/76/59/40/985765940.db2.gz BFJWPOBCJNVCHB-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(O)cccc1Cl ZINC001244050300 985779952 /nfs/dbraw/zinc/77/99/52/985779952.db2.gz LCGZHYSINIZHDW-FCXRPNKRSA-N 1 2 209.676 2.921 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)c(O)c(F)c1 ZINC001244095099 985810848 /nfs/dbraw/zinc/81/08/48/985810848.db2.gz ZVIYXVDDBGVVTP-JKEDICHKSA-N 1 2 211.211 2.546 20 0 BFADLO CO[C@@H]1CC=C(Nc2cccn3cc[nH+]c23)CC1 ZINC001212873335 985824719 /nfs/dbraw/zinc/82/47/19/985824719.db2.gz IKFMVIRABWOKGV-GFCCVEGCSA-N 1 2 243.310 2.829 20 0 BFADLO Cc1cncc(-c2ccn3cc(N)[nH+]c3c2)c1C ZINC001244153569 985868538 /nfs/dbraw/zinc/86/85/38/985868538.db2.gz UOXVTNKGKASDMO-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1N1CCCC1 ZINC001244179903 985878249 /nfs/dbraw/zinc/87/82/49/985878249.db2.gz PSXYAVPFNVVPJH-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO CCn1cc(Nc2ccc(C)[nH+]c2C)ccc1=O ZINC001212907741 985910627 /nfs/dbraw/zinc/91/06/27/985910627.db2.gz BRUQHRCLQCVFFA-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO Nc1cc(-c2cnccc2C2CC2)cc[nH+]1 ZINC001244281050 985920539 /nfs/dbraw/zinc/92/05/39/985920539.db2.gz LMMBVTZXUATEKZ-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO Cc1cccc(CCC[N@H+]2CC(=O)CC[C@@H]2C)c1 ZINC001460881513 985925439 /nfs/dbraw/zinc/92/54/39/985925439.db2.gz CWKRJJOTQQUCRB-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1cccc(CCC[N@@H+]2CC(=O)CC[C@@H]2C)c1 ZINC001460881513 985925445 /nfs/dbraw/zinc/92/54/45/985925445.db2.gz CWKRJJOTQQUCRB-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(CCO)cc1 ZINC001212925805 985926689 /nfs/dbraw/zinc/92/66/89/985926689.db2.gz UEXZAKPPFATNLO-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO Cc1[nH]c(CN2CC(F)(F)CC[C@H]2C)[nH+]c1C ZINC001460929755 985941365 /nfs/dbraw/zinc/94/13/65/985941365.db2.gz CUHQDIQTWITIJQ-MRVPVSSYSA-N 1 2 243.301 2.646 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)c(N)c1 ZINC001244392253 986033188 /nfs/dbraw/zinc/03/31/88/986033188.db2.gz ZNJDFJAIQHESAW-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1ccc(O)cc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244453349 986120042 /nfs/dbraw/zinc/12/00/42/986120042.db2.gz XCCYWVFFEWOECG-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO CCOC(=O)C1([NH2+][C@H](CC)C[C@H](C)CC)CC1 ZINC001258780981 986183589 /nfs/dbraw/zinc/18/35/89/986183589.db2.gz SNLIHZZAHAGYEA-VXGBXAGGSA-N 1 2 241.375 2.887 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)cc(O)c1F ZINC001244514786 986216646 /nfs/dbraw/zinc/21/66/46/986216646.db2.gz CGFMWWIHECPBOJ-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)cc(Cl)c1O ZINC001244536909 986232018 /nfs/dbraw/zinc/23/20/18/986232018.db2.gz BDKMXXUMEVJGAE-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCc1cc(/C(C)=C/C=C/[NH3+])ccc1CO ZINC001244639722 986293484 /nfs/dbraw/zinc/29/34/84/986293484.db2.gz OLSDEJZTAAAOPQ-JNKBEKGTSA-N 1 2 217.312 2.617 20 0 BFADLO COCOc1c(C)cccc1-c1cc[nH+]c(N)c1 ZINC001244658508 986297435 /nfs/dbraw/zinc/29/74/35/986297435.db2.gz JZENOJPIRRVSIB-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CCOc1ncc(-c2c[nH+]c(N)c(C)c2)cc1C ZINC001244684879 986306010 /nfs/dbraw/zinc/30/60/10/986306010.db2.gz VYZDQULMKYUSOK-UHFFFAOYSA-N 1 2 243.310 2.741 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000383742893 986429578 /nfs/dbraw/zinc/42/95/78/986429578.db2.gz IOIMQIXWZAFJHC-ZIAGYGMSSA-N 1 2 234.343 2.732 20 0 BFADLO COCOc1ccc(/C(C)=C/C=C/[NH3+])c(OC)c1 ZINC001244920530 986473165 /nfs/dbraw/zinc/47/31/65/986473165.db2.gz FCRRFDGQGNXIEN-JNKBEKGTSA-N 1 2 249.310 2.554 20 0 BFADLO CNc1cc(-c2cc(C)c3[nH+]ccn3c2)ccn1 ZINC001244974085 986554405 /nfs/dbraw/zinc/55/44/05/986554405.db2.gz XFPJNXIYYXTHMJ-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO CNc1cc(-c2ccnc3c2ccn3C)cc[nH+]1 ZINC001244976653 986563590 /nfs/dbraw/zinc/56/35/90/986563590.db2.gz NGPYANPCUOJMJH-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO COc1c(F)ccc(/C(C)=C/C=C/[NH3+])c1OC ZINC001245045566 986602935 /nfs/dbraw/zinc/60/29/35/986602935.db2.gz SJHVJQGEKSELED-KBXRYBNXSA-N 1 2 237.274 2.719 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(C2=CCCOC2)c1 ZINC001245161229 986709923 /nfs/dbraw/zinc/70/99/23/986709923.db2.gz GFAJVROCBPEXPL-UHFFFAOYSA-N 1 2 240.306 2.891 20 0 BFADLO Cc1csc(C[NH+]2CC3(COC3)C2)c1Cl ZINC001137287637 986728675 /nfs/dbraw/zinc/72/86/75/986728675.db2.gz RIQDLGAKSZDXTR-UHFFFAOYSA-N 1 2 243.759 2.542 20 0 BFADLO CCCOc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001245231539 986755619 /nfs/dbraw/zinc/75/56/19/986755619.db2.gz JHQZLYOJPDJQQI-JNKBEKGTSA-N 1 2 218.300 2.746 20 0 BFADLO CCn1ncc2cc(-c3cc[nH+]c(N)c3)ccc21 ZINC001245237388 986757174 /nfs/dbraw/zinc/75/71/74/986757174.db2.gz OGNWKQYBEMKBJV-UHFFFAOYSA-N 1 2 238.294 2.700 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1c[nH]c2ccc(F)cc12 ZINC001137333660 986794783 /nfs/dbraw/zinc/79/47/83/986794783.db2.gz OIEOSFDDZXUVQD-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1c[nH]c2ccc(F)cc12 ZINC001137333660 986794792 /nfs/dbraw/zinc/79/47/92/986794792.db2.gz OIEOSFDDZXUVQD-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO c1cn2ccc(-c3c[nH]c4cnccc43)cc2[nH+]1 ZINC001245395126 986832441 /nfs/dbraw/zinc/83/24/41/986832441.db2.gz VNYZFMNBPUTJDZ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(-c2ccc(F)c(N)c2C)c[nH+]c1N ZINC001245462245 986858480 /nfs/dbraw/zinc/85/84/80/986858480.db2.gz ZTJFENBFGZFFTG-UHFFFAOYSA-N 1 2 231.274 2.669 20 0 BFADLO Cc1cc(-c2cnc3c(cnn3C)c2)cc(C)[nH+]1 ZINC001245470612 986862273 /nfs/dbraw/zinc/86/22/73/986862273.db2.gz ALOGXQYZMJRDEU-UHFFFAOYSA-N 1 2 238.294 2.647 20 0 BFADLO COc1cc(-c2c(C)cc[nH+]c2C)ccc1N ZINC001245504288 986885874 /nfs/dbraw/zinc/88/58/74/986885874.db2.gz LYXUDDGTQCPYKD-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1cc(-c2ccccc2C(C)(C)O)c[nH+]c1N ZINC001245535818 986903570 /nfs/dbraw/zinc/90/35/70/986903570.db2.gz BNAMHBZMDIUTEC-UHFFFAOYSA-N 1 2 242.322 2.867 20 0 BFADLO CCc1cccc(-c2c[nH+]c(N)c(C)c2)n1 ZINC001245539701 986904755 /nfs/dbraw/zinc/90/47/55/986904755.db2.gz OXUAQVOCBGAJKP-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO Cc1cc(-c2ncnc3ccccc32)c[nH+]c1N ZINC001245535558 986907745 /nfs/dbraw/zinc/90/77/45/986907745.db2.gz CWPQPIZUVVFPPG-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cnc3occc3c2)c[nH+]c1N ZINC001245535808 986909019 /nfs/dbraw/zinc/90/90/19/986909019.db2.gz APTHCEUGOSPDOZ-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc2cc(-c3c[nH+]c(N)c(C)c3)ncc2[nH]1 ZINC001245536833 986912168 /nfs/dbraw/zinc/91/21/68/986912168.db2.gz AHDKUUKARLWTRI-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1nc(-c2c[nH+]c(N)c(C)c2)cc(C(C)C)n1 ZINC001245536425 986913389 /nfs/dbraw/zinc/91/33/89/986913389.db2.gz QAGQIYGBPFRBDO-UHFFFAOYSA-N 1 2 242.326 2.861 20 0 BFADLO Cc1cc(-c2cccc3oncc32)c[nH+]c1N ZINC001245536347 986914169 /nfs/dbraw/zinc/91/41/69/986914169.db2.gz IXCMGGSNDLWWCC-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(-c2cc(C(C)(C)C)ncn2)c[nH+]c1N ZINC001245537834 986918497 /nfs/dbraw/zinc/91/84/97/986918497.db2.gz JBGAKVVYVWKTSF-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)c(C)cn1 ZINC001245539030 986919986 /nfs/dbraw/zinc/91/99/86/986919986.db2.gz PNFBDNOAJQRBET-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2cccc(C3COC3)c2)c[nH+]c1N ZINC001245539176 986924369 /nfs/dbraw/zinc/92/43/69/986924369.db2.gz TWZJLIFPVSJSGE-UHFFFAOYSA-N 1 2 240.306 2.753 20 0 BFADLO Cc1cc(-c2nccc3ccn(C)c32)c[nH+]c1N ZINC001245538765 986927083 /nfs/dbraw/zinc/92/70/83/986927083.db2.gz TWLWNQIAOSBDJU-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CCOc1cc(-c2c[nH+]c(N)c(C)c2)cnc1F ZINC001245541256 986931696 /nfs/dbraw/zinc/93/16/96/986931696.db2.gz OUIYHFBHXSKUQC-UHFFFAOYSA-N 1 2 247.273 2.572 20 0 BFADLO Cc1cc(-c2ccc3nccn3c2C)c[nH+]c1N ZINC001245541187 986932096 /nfs/dbraw/zinc/93/20/96/986932096.db2.gz MZIJLFJYOIRVIT-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Nc1[nH+]cccc1-c1cc2cc(F)ccc2[nH]1 ZINC001245574887 986971586 /nfs/dbraw/zinc/97/15/86/986971586.db2.gz IMLFGVUSUNBLPI-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1cc2ccc(F)cc2[nH]1 ZINC001245588445 986980004 /nfs/dbraw/zinc/98/00/04/986980004.db2.gz NNHRWJHFYFEUSQ-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Oc1cccc(F)c1-c1cccc2[nH+]ccn21 ZINC001245656897 987037819 /nfs/dbraw/zinc/03/78/19/987037819.db2.gz UYHQMWKQZMAWJD-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001255842090 987073015 /nfs/dbraw/zinc/07/30/15/987073015.db2.gz NYNCDOKCFWMKNU-RYUDHWBXSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC(=O)C[C@@H]1C ZINC001255842090 987073023 /nfs/dbraw/zinc/07/30/23/987073023.db2.gz NYNCDOKCFWMKNU-RYUDHWBXSA-N 1 2 249.329 2.810 20 0 BFADLO CCc1cc(N2CCC(C)CC2)nc(CC)[nH+]1 ZINC001472639824 987259546 /nfs/dbraw/zinc/25/95/46/987259546.db2.gz IHZBBYIKLZPXMJ-UHFFFAOYSA-N 1 2 233.359 2.838 20 0 BFADLO CCc1cc(NCCC2CC2)nc(CC)[nH+]1 ZINC001472712211 987273137 /nfs/dbraw/zinc/27/31/37/987273137.db2.gz XGMUDXHZOLKOQT-UHFFFAOYSA-N 1 2 219.332 2.813 20 0 BFADLO OC1(C[N@@H+]2CCCC(F)(F)C2)CCCCCC1 ZINC001473609980 987501187 /nfs/dbraw/zinc/50/11/87/987501187.db2.gz CKZNYKKRCBDJBS-UHFFFAOYSA-N 1 2 247.329 2.803 20 0 BFADLO OC1(C[N@H+]2CCCC(F)(F)C2)CCCCCC1 ZINC001473609980 987501190 /nfs/dbraw/zinc/50/11/90/987501190.db2.gz CKZNYKKRCBDJBS-UHFFFAOYSA-N 1 2 247.329 2.803 20 0 BFADLO COc1nscc1C[N@H+](C)CC1=CCCC1 ZINC001473827692 987572045 /nfs/dbraw/zinc/57/20/45/987572045.db2.gz AKPNGGSOSWNGHJ-UHFFFAOYSA-N 1 2 238.356 2.694 20 0 BFADLO COc1nscc1C[N@@H+](C)CC1=CCCC1 ZINC001473827692 987572053 /nfs/dbraw/zinc/57/20/53/987572053.db2.gz AKPNGGSOSWNGHJ-UHFFFAOYSA-N 1 2 238.356 2.694 20 0 BFADLO C[C@@H](C(=O)N[C@H]1CCCC(C)(C)C1)n1cc[nH+]c1 ZINC001116735376 987686069 /nfs/dbraw/zinc/68/60/69/987686069.db2.gz VYJWYSAEYQQSAG-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO COc1nsc(C[N@H+](C)C(C)C)c1Cl ZINC001474404228 987713863 /nfs/dbraw/zinc/71/38/63/987713863.db2.gz GHWLAHQWQPLHAJ-UHFFFAOYSA-N 1 2 234.752 2.645 20 0 BFADLO COc1nsc(C[N@@H+](C)C(C)C)c1Cl ZINC001474404228 987713867 /nfs/dbraw/zinc/71/38/67/987713867.db2.gz GHWLAHQWQPLHAJ-UHFFFAOYSA-N 1 2 234.752 2.645 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC001474414846 987715477 /nfs/dbraw/zinc/71/54/77/987715477.db2.gz IUYLZAKXURUFSS-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC001474414846 987715479 /nfs/dbraw/zinc/71/54/79/987715479.db2.gz IUYLZAKXURUFSS-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO Cc1cccnc1[C@H](C)[NH2+]Cc1ncccc1F ZINC001474749081 987816421 /nfs/dbraw/zinc/81/64/21/987816421.db2.gz XRXSOLAHFXTJDV-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO CCCCC[C@@H](CCC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246458633 987817563 /nfs/dbraw/zinc/81/75/63/987817563.db2.gz HMXTVAWMMLMXQY-VXGBXAGGSA-N 1 2 248.361 2.932 20 0 BFADLO Cc1nc(N2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC001322090008 988104922 /nfs/dbraw/zinc/10/49/22/988104922.db2.gz RJPBUDBNLZVVTQ-CHWSQXEVSA-N 1 2 231.343 2.802 20 0 BFADLO C[NH+](C)Cc1nnc(C2CCCCCC2)o1 ZINC001322583457 988335983 /nfs/dbraw/zinc/33/59/83/988335983.db2.gz PXQUQYMZYBDKQH-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO C[NH+](C)Cc1nnc([C@@H]2CCCC3(CC3)C2)o1 ZINC001118956750 988738520 /nfs/dbraw/zinc/73/85/20/988738520.db2.gz HGOAOISVILTAME-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1nc(N2CC(c3ccc(F)cc3)C2)cc[nH+]1 ZINC001324487072 988854731 /nfs/dbraw/zinc/85/47/31/988854731.db2.gz COBXVCYAFDUQGZ-UHFFFAOYSA-N 1 2 243.285 2.528 20 0 BFADLO CCc1ccc(N(C)Cc2cc(C)on2)[nH+]c1 ZINC001515352463 989032623 /nfs/dbraw/zinc/03/26/23/989032623.db2.gz YBEUOBLZQJFHKQ-UHFFFAOYSA-N 1 2 231.299 2.577 20 0 BFADLO CCc1ccc(N2CCc3ncsc3C2)[nH+]c1 ZINC001515677736 989099727 /nfs/dbraw/zinc/09/97/27/989099727.db2.gz BWSAMGLHYWCRKQ-UHFFFAOYSA-N 1 2 245.351 2.663 20 0 BFADLO CCc1ccc(N2C[C@@H](C)OC3(CCC3)C2)[nH+]c1 ZINC001515853366 989123221 /nfs/dbraw/zinc/12/32/21/989123221.db2.gz RKZXLWVFGZXOOS-GFCCVEGCSA-N 1 2 246.354 2.792 20 0 BFADLO CC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001325414414 989183936 /nfs/dbraw/zinc/18/39/36/989183936.db2.gz BLSNENUVIYQJIO-DGCLKSJQSA-N 1 2 249.358 2.529 20 0 BFADLO Fc1ccc(-c2nc(C[NH+]3CC=CC3)co2)cc1 ZINC001248853308 989197821 /nfs/dbraw/zinc/19/78/21/989197821.db2.gz XQGWGMHFSUOSHE-UHFFFAOYSA-N 1 2 244.269 2.853 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CCCC1CC1 ZINC001518050388 989276913 /nfs/dbraw/zinc/27/69/13/989276913.db2.gz YVXKKJDUGDPNLD-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO Cc1cc(C(F)(F)F)c(C[NH+]2CC=CC2)cn1 ZINC001249512558 989293021 /nfs/dbraw/zinc/29/30/21/989293021.db2.gz URGSOZSZUGHOML-UHFFFAOYSA-N 1 2 242.244 2.781 20 0 BFADLO CCOC1C[NH+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249522002 989294774 /nfs/dbraw/zinc/29/47/74/989294774.db2.gz KLJQOIMXATUYFL-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO COC1(C)C[NH+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249522140 989295002 /nfs/dbraw/zinc/29/50/02/989295002.db2.gz PKOLZGNHBRTQLR-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ns1 ZINC001249571188 989313841 /nfs/dbraw/zinc/31/38/41/989313841.db2.gz MYUPMQSNZFMVDE-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ns1 ZINC001249571188 989313848 /nfs/dbraw/zinc/31/38/48/989313848.db2.gz MYUPMQSNZFMVDE-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(NC2CCOCC2)nc(C2CCC2)[nH+]1 ZINC001119937827 989494339 /nfs/dbraw/zinc/49/43/39/989494339.db2.gz ZSRULMPJMDXNMI-UHFFFAOYSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cc(CNc2ccc(C3CCC3)c[nH+]2)[nH]n1 ZINC001326326877 989498493 /nfs/dbraw/zinc/49/84/93/989498493.db2.gz HSCLANRBNLCBKB-UHFFFAOYSA-N 1 2 242.326 2.993 20 0 BFADLO Cc1cc(CNc2ccc(C3CCC3)c[nH+]2)n[nH]1 ZINC001326326877 989498503 /nfs/dbraw/zinc/49/85/03/989498503.db2.gz HSCLANRBNLCBKB-UHFFFAOYSA-N 1 2 242.326 2.993 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC001120038304 989570456 /nfs/dbraw/zinc/57/04/56/989570456.db2.gz PTLQYBDIVUUCQE-PWSUYJOCSA-N 1 2 241.306 2.858 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC001120038304 989570469 /nfs/dbraw/zinc/57/04/69/989570469.db2.gz PTLQYBDIVUUCQE-PWSUYJOCSA-N 1 2 241.306 2.858 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC001120038302 989572246 /nfs/dbraw/zinc/57/22/46/989572246.db2.gz PTLQYBDIVUUCQE-CMPLNLGQSA-N 1 2 241.306 2.858 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC001120038302 989572255 /nfs/dbraw/zinc/57/22/55/989572255.db2.gz PTLQYBDIVUUCQE-CMPLNLGQSA-N 1 2 241.306 2.858 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@H]1C1CCC1 ZINC001120812087 989896099 /nfs/dbraw/zinc/89/60/99/989896099.db2.gz IVNWQCWWIKCPKW-GFCCVEGCSA-N 1 2 220.291 2.990 20 0 BFADLO CCOC1CC(N(C)c2cc(F)cc(C)[nH+]2)C1 ZINC001120931473 989977139 /nfs/dbraw/zinc/97/71/39/989977139.db2.gz IYIJGHKEQXLOQV-UHFFFAOYSA-N 1 2 238.306 2.533 20 0 BFADLO CC[C@H](C)CCC(=O)OCc1c[nH+]cn1CC ZINC001123474422 990589986 /nfs/dbraw/zinc/58/99/86/990589986.db2.gz ZFFVSNCNLCRYAD-NSHDSACASA-N 1 2 238.331 2.773 20 0 BFADLO Clc1ncsc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001137824657 990853519 /nfs/dbraw/zinc/85/35/19/990853519.db2.gz ASTUSJCGQBWUEP-JGVFFNPUSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1ncsc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001137824657 990853522 /nfs/dbraw/zinc/85/35/22/990853522.db2.gz ASTUSJCGQBWUEP-JGVFFNPUSA-N 1 2 228.748 2.781 20 0 BFADLO CSCC[N@H+](C)Cc1c(F)ccc(F)c1F ZINC001137933514 990869762 /nfs/dbraw/zinc/86/97/62/990869762.db2.gz JZGSHIMJXRZUAI-UHFFFAOYSA-N 1 2 249.301 2.899 20 0 BFADLO CSCC[N@@H+](C)Cc1c(F)ccc(F)c1F ZINC001137933514 990869766 /nfs/dbraw/zinc/86/97/66/990869766.db2.gz JZGSHIMJXRZUAI-UHFFFAOYSA-N 1 2 249.301 2.899 20 0 BFADLO Fc1c(Cl)cccc1C[NH+]1CC=CC1 ZINC001137957787 990871752 /nfs/dbraw/zinc/87/17/52/990871752.db2.gz NURQLBZSKRCMEN-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO COc1ccc(C)cc1C[NH+]1CC(OC(C)C)C1 ZINC001138487257 990962968 /nfs/dbraw/zinc/96/29/68/990962968.db2.gz JMCSQKSOTBRIMO-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Fc1ccc2c(C[NH2+]Cc3ccco3)noc2c1 ZINC001308499069 991011149 /nfs/dbraw/zinc/01/11/49/991011149.db2.gz HKKJUTCLLZBMRQ-UHFFFAOYSA-N 1 2 246.241 2.850 20 0 BFADLO CCc1cc(N2CC[C@@H](C3CC3)C2)nc(CC)[nH+]1 ZINC001559143107 991040492 /nfs/dbraw/zinc/04/04/92/991040492.db2.gz KHRBEZHAKKJUSN-GFCCVEGCSA-N 1 2 245.370 2.838 20 0 BFADLO C[N@H+](Cc1ccc(F)cc1)Cc1cccnc1F ZINC001138784253 991045615 /nfs/dbraw/zinc/04/56/15/991045615.db2.gz FQOOWMOCENYTQT-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccc(F)cc1)Cc1cccnc1F ZINC001138784253 991045624 /nfs/dbraw/zinc/04/56/24/991045624.db2.gz FQOOWMOCENYTQT-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[C@H]1CC([N@@H+]2CCOCC(F)(F)C2)C[C@H](C)C1 ZINC001258163942 991051016 /nfs/dbraw/zinc/05/10/16/991051016.db2.gz ODRNZTUCUMRMNW-GHMZBOCLSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@H]1CC([N@H+]2CCOCC(F)(F)C2)C[C@H](C)C1 ZINC001258163942 991051025 /nfs/dbraw/zinc/05/10/25/991051025.db2.gz ODRNZTUCUMRMNW-GHMZBOCLSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@H]1C[C@H]([N@@H+]2CCOCC(F)(F)C2)C[C@@H](C)C1 ZINC001258163941 991052359 /nfs/dbraw/zinc/05/23/59/991052359.db2.gz ODRNZTUCUMRMNW-GDNZZTSVSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@H]1C[C@H]([N@H+]2CCOCC(F)(F)C2)C[C@@H](C)C1 ZINC001258163941 991052367 /nfs/dbraw/zinc/05/23/67/991052367.db2.gz ODRNZTUCUMRMNW-GDNZZTSVSA-N 1 2 247.329 2.779 20 0 BFADLO CCCn1cncc1C[N@H+](C)Cc1ccoc1C ZINC001308614690 991057748 /nfs/dbraw/zinc/05/77/48/991057748.db2.gz BLPVTYDPZZCCQD-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1cncc1C[N@@H+](C)Cc1ccoc1C ZINC001308614690 991057753 /nfs/dbraw/zinc/05/77/53/991057753.db2.gz BLPVTYDPZZCCQD-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CC(C)c1nc(C[NH2+][C@@H](C)Cc2ccco2)no1 ZINC001258171930 991068283 /nfs/dbraw/zinc/06/82/83/991068283.db2.gz FESRORIVTCCCLG-JTQLQIEISA-N 1 2 249.314 2.507 20 0 BFADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2occc2c1 ZINC001138822332 991076253 /nfs/dbraw/zinc/07/62/53/991076253.db2.gz BOVYGKKGTVXJFM-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2occc2c1 ZINC001138822332 991076259 /nfs/dbraw/zinc/07/62/59/991076259.db2.gz BOVYGKKGTVXJFM-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO CCc1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC001559465828 991112648 /nfs/dbraw/zinc/11/26/48/991112648.db2.gz BURCUMJRCBWNBJ-UTUOFQBUSA-N 1 2 204.317 2.882 20 0 BFADLO c1c2ccccc2oc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139065734 991135487 /nfs/dbraw/zinc/13/54/87/991135487.db2.gz PPSRFGLATDEEIV-CHWSQXEVSA-N 1 2 243.306 2.796 20 0 BFADLO c1c2ccccc2oc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001139065734 991135493 /nfs/dbraw/zinc/13/54/93/991135493.db2.gz PPSRFGLATDEEIV-CHWSQXEVSA-N 1 2 243.306 2.796 20 0 BFADLO Cc1ccc2ncc(Cn3cc[nH+]c3)cc2c1 ZINC001559606995 991187200 /nfs/dbraw/zinc/18/72/00/991187200.db2.gz WHHQLFSSSLFWTO-UHFFFAOYSA-N 1 2 223.279 2.788 20 0 BFADLO CCCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258446203 991388364 /nfs/dbraw/zinc/38/83/64/991388364.db2.gz ORDDXAKRSKZBTG-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258446203 991388369 /nfs/dbraw/zinc/38/83/69/991388369.db2.gz ORDDXAKRSKZBTG-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO C[C@H](CC1CC1)[NH2+]CC(F)(F)C(F)(F)F ZINC001258447583 991391138 /nfs/dbraw/zinc/39/11/38/991391138.db2.gz UOYRMJFUZCZXNU-ZCFIWIBFSA-N 1 2 231.208 2.962 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)nc1 ZINC001139839606 991396831 /nfs/dbraw/zinc/39/68/31/991396831.db2.gz KELFFEWKSRVLLS-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)nc1 ZINC001139839606 991396837 /nfs/dbraw/zinc/39/68/37/991396837.db2.gz KELFFEWKSRVLLS-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Fc1cc(C[N@H+](Cc2ccco2)C2CC2)ccn1 ZINC001139835552 991397135 /nfs/dbraw/zinc/39/71/35/991397135.db2.gz BOCAYUYLNYSQDA-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cc(C[N@@H+](Cc2ccco2)C2CC2)ccn1 ZINC001139835552 991397144 /nfs/dbraw/zinc/39/71/44/991397144.db2.gz BOCAYUYLNYSQDA-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ncccc2C)[nH]c1C ZINC001560221571 991426538 /nfs/dbraw/zinc/42/65/38/991426538.db2.gz ZRUDOWMWLDNMHE-GFCCVEGCSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1[nH]c(CN[C@H](C)c2ncccc2C)[nH+]c1C ZINC001560221571 991426545 /nfs/dbraw/zinc/42/65/45/991426545.db2.gz ZRUDOWMWLDNMHE-GFCCVEGCSA-N 1 2 244.342 2.581 20 0 BFADLO COc1ccc(NCc2cc(C)[nH+]c(C)c2)nc1 ZINC001560527515 991493135 /nfs/dbraw/zinc/49/31/35/991493135.db2.gz KOIHKKNPUWYOOE-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)ccn1 ZINC001140104595 991520568 /nfs/dbraw/zinc/52/05/68/991520568.db2.gz UEOHPPWPTKSOFJ-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cc(C(F)(F)F)ccn1 ZINC001140104595 991520580 /nfs/dbraw/zinc/52/05/80/991520580.db2.gz UEOHPPWPTKSOFJ-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO Cc1cccc2c1N(Cc1ccc[nH+]c1N)CC2 ZINC001560746376 991581627 /nfs/dbraw/zinc/58/16/27/991581627.db2.gz WBQQUSZTQIRMBT-UHFFFAOYSA-N 1 2 239.322 2.535 20 0 BFADLO CCc1cc(NCc2ccc[nH+]c2N)ccc1F ZINC001560825268 991615641 /nfs/dbraw/zinc/61/56/41/991615641.db2.gz HDRUWHWWFIRJDA-UHFFFAOYSA-N 1 2 245.301 2.977 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cnc2ccc(Cl)cn12 ZINC001140429654 991637233 /nfs/dbraw/zinc/63/72/33/991637233.db2.gz ORZSKAFHFYNAAN-SECBINFHSA-N 1 2 235.718 2.582 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cnc2ccc(Cl)cn12 ZINC001140429654 991637241 /nfs/dbraw/zinc/63/72/41/991637241.db2.gz ORZSKAFHFYNAAN-SECBINFHSA-N 1 2 235.718 2.582 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cnc2ccc(Cl)cn12 ZINC001140429655 991637956 /nfs/dbraw/zinc/63/79/56/991637956.db2.gz ORZSKAFHFYNAAN-VIFPVBQESA-N 1 2 235.718 2.582 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cnc2ccc(Cl)cn12 ZINC001140429655 991637963 /nfs/dbraw/zinc/63/79/63/991637963.db2.gz ORZSKAFHFYNAAN-VIFPVBQESA-N 1 2 235.718 2.582 20 0 BFADLO Cc1ccc(Cl)nc1C[N@@H+]1CCC[C@@H]1CF ZINC001140448487 991640531 /nfs/dbraw/zinc/64/05/31/991640531.db2.gz JRWYISZJAQHWEF-SNVBAGLBSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1ccc(Cl)nc1C[N@H+]1CCC[C@@H]1CF ZINC001140448487 991640540 /nfs/dbraw/zinc/64/05/40/991640540.db2.gz JRWYISZJAQHWEF-SNVBAGLBSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1ccc(Cl)nc1C[NH+]1CCSCC1 ZINC001140442326 991640884 /nfs/dbraw/zinc/64/08/84/991640884.db2.gz CWIIWJAFFVGALN-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO C[C@]1(CNc2cc3cc[nH]c3c[nH+]2)CCCCO1 ZINC001560908371 991646350 /nfs/dbraw/zinc/64/63/50/991646350.db2.gz ORDILBXQFSRDIH-CQSZACIVSA-N 1 2 245.326 2.934 20 0 BFADLO C/C=C\C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001565582210 991791142 /nfs/dbraw/zinc/79/11/42/991791142.db2.gz MEXDQKGYBYYFNZ-ARJAWSKDSA-N 1 2 241.294 2.695 20 0 BFADLO CCC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001319143531 991800563 /nfs/dbraw/zinc/80/05/63/991800563.db2.gz VHVDOSQXSIQPHV-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)Cc1cc(C)[nH]n1 ZINC001319829424 991996045 /nfs/dbraw/zinc/99/60/45/991996045.db2.gz UGEFDOWJWKOFCS-NSHDSACASA-N 1 2 241.404 2.682 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001319829424 991996066 /nfs/dbraw/zinc/99/60/66/991996066.db2.gz UGEFDOWJWKOFCS-NSHDSACASA-N 1 2 241.404 2.682 20 0 BFADLO C(=C/C1CC1)\CNc1cc(NCC2CC2)[nH+]cn1 ZINC001261236279 992206773 /nfs/dbraw/zinc/20/67/73/992206773.db2.gz CCPHQQILKLXMBS-OWOJBTEDSA-N 1 2 244.342 2.677 20 0 BFADLO C(=C/C1CC1)\CNc1cc(NCC2CC2)nc[nH+]1 ZINC001261236279 992206780 /nfs/dbraw/zinc/20/67/80/992206780.db2.gz CCPHQQILKLXMBS-OWOJBTEDSA-N 1 2 244.342 2.677 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NCc1cc[nH]c1 ZINC001320619317 992277120 /nfs/dbraw/zinc/27/71/20/992277120.db2.gz LUTIUWPLUNTPFF-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO COC1(CNc2ccc([NH+](C)C)cc2)CCC1 ZINC001262006465 992588703 /nfs/dbraw/zinc/58/87/03/992588703.db2.gz SWOKNFOFCLLBBB-UHFFFAOYSA-N 1 2 234.343 2.734 20 0 BFADLO CCc1ncc(C[N@H+](C)CCC(F)(F)F)o1 ZINC001262227308 992814000 /nfs/dbraw/zinc/81/40/00/992814000.db2.gz ZDCGHFBHUPGCRO-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO CCc1ncc(C[N@@H+](C)CCC(F)(F)F)o1 ZINC001262227308 992814003 /nfs/dbraw/zinc/81/40/03/992814003.db2.gz ZDCGHFBHUPGCRO-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001262364651 992859821 /nfs/dbraw/zinc/85/98/21/992859821.db2.gz DPQQHHRKVZWSDG-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC001262364651 992859825 /nfs/dbraw/zinc/85/98/25/992859825.db2.gz DPQQHHRKVZWSDG-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO CCc1ccc(N2CCC[C@@H]2[C@H]2CCCO2)[nH+]c1 ZINC001262695724 993034497 /nfs/dbraw/zinc/03/44/97/993034497.db2.gz KLKPCDMDWWOMFX-ZIAGYGMSSA-N 1 2 246.354 2.792 20 0 BFADLO CCc1ccc(N2CC3CC2(C)C3)[nH+]c1 ZINC001262702962 993045161 /nfs/dbraw/zinc/04/51/61/993045161.db2.gz PYOGULYQWIRXBZ-UHFFFAOYSA-N 1 2 202.301 2.633 20 0 BFADLO CCNc1ccc(Nc2nc(C)cnc2C)c[nH+]1 ZINC001262735920 993054923 /nfs/dbraw/zinc/05/49/23/993054923.db2.gz SBGLOIPZROWEID-UHFFFAOYSA-N 1 2 243.314 2.664 20 0 BFADLO Cc1cc(N2CC(F)(F)C2)nc(C2CCC2)[nH+]1 ZINC001262737738 993057622 /nfs/dbraw/zinc/05/76/22/993057622.db2.gz NDBLCBHGRPKCJM-UHFFFAOYSA-N 1 2 239.269 2.508 20 0 BFADLO CC1(C)C[NH+](Cc2cccc(C#N)c2F)C1 ZINC000381813043 993427135 /nfs/dbraw/zinc/42/71/35/993427135.db2.gz BBZKLAMYUQXZJO-UHFFFAOYSA-N 1 2 218.275 2.539 20 0 BFADLO Cc1c2[nH+]c(CC3CC3)[nH]c2ccc1F ZINC000587958669 993464161 /nfs/dbraw/zinc/46/41/61/993464161.db2.gz FHWRBFOKMOZNLW-UHFFFAOYSA-N 1 2 204.248 2.963 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@H](C)O[C@H]2C)c(C)[nH+]1 ZINC000384551922 993599146 /nfs/dbraw/zinc/59/91/46/993599146.db2.gz GIZINZUGUPRNLH-XHVZSJERSA-N 1 2 220.316 2.676 20 0 BFADLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)nc1 ZINC000386144555 993681880 /nfs/dbraw/zinc/68/18/80/993681880.db2.gz BMTOIYHNJKZOPP-OAHLLOKOSA-N 1 2 246.354 2.588 20 0 BFADLO CCc1ccc(C[N@H+]2CCCC[C@@H]2C(C)=O)nc1 ZINC000386144555 993681887 /nfs/dbraw/zinc/68/18/87/993681887.db2.gz BMTOIYHNJKZOPP-OAHLLOKOSA-N 1 2 246.354 2.588 20 0 BFADLO Cc1ccc2[nH]c(CCn3cccn3)[nH+]c2c1C ZINC000386205151 993682316 /nfs/dbraw/zinc/68/23/16/993682316.db2.gz XABXQHWARBCIDQ-UHFFFAOYSA-N 1 2 240.310 2.619 20 0 BFADLO Cc1ccc2[nH+]c(CCn3cccn3)[nH]c2c1C ZINC000386205151 993682322 /nfs/dbraw/zinc/68/23/22/993682322.db2.gz XABXQHWARBCIDQ-UHFFFAOYSA-N 1 2 240.310 2.619 20 0 BFADLO Clc1ccnc(Cn2cc[nH+]c2)c1Cl ZINC001307539808 995397641 /nfs/dbraw/zinc/39/76/41/995397641.db2.gz TZFIEPZRQBBHGX-UHFFFAOYSA-N 1 2 228.082 2.633 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C/C=C\c1ccccc1 ZINC001308195572 995595652 /nfs/dbraw/zinc/59/56/52/995595652.db2.gz LOTWYJDUQAKACD-YVMONPNESA-N 1 2 227.311 2.521 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccoc2C)cs1 ZINC000067217990 370644451 /nfs/dbraw/zinc/64/44/51/370644451.db2.gz ICZNBQURXCXTNA-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(F)F ZINC000389920673 398149170 /nfs/dbraw/zinc/14/91/70/398149170.db2.gz QOAXLOBEZVDCFL-MRVPVSSYSA-N 1 2 224.254 2.911 20 0 BFADLO Cc1ccc(F)cc1C[NH2+][C@H](C)C(F)F ZINC000389926526 398150286 /nfs/dbraw/zinc/15/02/86/398150286.db2.gz WQZSYIVZIFHEOT-MRVPVSSYSA-N 1 2 217.234 2.877 20 0 BFADLO C[C@@H]([NH2+]Cc1ccnc2ccccc12)C(F)F ZINC000389932423 398151155 /nfs/dbraw/zinc/15/11/55/398151155.db2.gz JKWSLWHGWXIFFD-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(Cl)s2)no1 ZINC000044692490 178025831 /nfs/dbraw/zinc/02/58/31/178025831.db2.gz XJENGDQBCJUYOT-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)no1 ZINC000129588515 178035051 /nfs/dbraw/zinc/03/50/51/178035051.db2.gz WGDJRDAZSMOHKW-CQSZACIVSA-N 1 2 246.285 2.899 20 0 BFADLO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1cscn1 ZINC000424204388 398174979 /nfs/dbraw/zinc/17/49/79/398174979.db2.gz VRBUMSBKZNZVNM-OLZOCXBDSA-N 1 2 248.326 2.870 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(C)cn2)o1 ZINC000649904380 398177110 /nfs/dbraw/zinc/17/71/10/398177110.db2.gz VGMSCSDGTCFATG-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2ccc(C)cn2)o1 ZINC000649904380 398177113 /nfs/dbraw/zinc/17/71/13/398177113.db2.gz VGMSCSDGTCFATG-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc(N2CCC[C@@H]2CC(C)C)nc[nH+]1 ZINC000301238753 178114657 /nfs/dbraw/zinc/11/46/57/178114657.db2.gz MXRRSQVDZOZDCN-GFCCVEGCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(F)ccc1-c1ccc(N)[nH+]c1 ZINC000044121771 178080684 /nfs/dbraw/zinc/08/06/84/178080684.db2.gz ROIWQXIVQAZLPR-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000356408807 178084942 /nfs/dbraw/zinc/08/49/42/178084942.db2.gz SFGPYEXRYYSTQF-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(F)cc1C ZINC000356408807 178084944 /nfs/dbraw/zinc/08/49/44/178084944.db2.gz SFGPYEXRYYSTQF-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000356408807 178084945 /nfs/dbraw/zinc/08/49/45/178084945.db2.gz SFGPYEXRYYSTQF-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccc(F)cc1C ZINC000356408807 178084947 /nfs/dbraw/zinc/08/49/47/178084947.db2.gz SFGPYEXRYYSTQF-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(F)F ZINC000649384050 398192475 /nfs/dbraw/zinc/19/24/75/398192475.db2.gz OUSUPIQOBAKFGU-QMMMGPOBSA-N 1 2 243.301 2.652 20 0 BFADLO Cc1cc(N(C)[C@@H]2CC2(C)C)nc(C2CC2)[nH+]1 ZINC000362849443 178100735 /nfs/dbraw/zinc/10/07/35/178100735.db2.gz HBPFPACYSCDGIU-LLVKDONJSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N(C)[C@H](C)c2ccccc2)nc[nH+]1 ZINC000301237064 178100973 /nfs/dbraw/zinc/10/09/73/178100973.db2.gz DPOZWVCHLXDDQS-GFCCVEGCSA-N 1 2 227.311 2.982 20 0 BFADLO Cc1cc(N(C)[C@H]2CCc3ccccc32)nc[nH+]1 ZINC000301231061 178101606 /nfs/dbraw/zinc/10/16/06/178101606.db2.gz HRYGUWRQSQOWLM-AWEZNQCLSA-N 1 2 239.322 2.909 20 0 BFADLO Cc1cc(N(C)[C@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000270173118 178102629 /nfs/dbraw/zinc/10/26/29/178102629.db2.gz LNZFIAVGYZRQNI-NSHDSACASA-N 1 2 249.383 2.604 20 0 BFADLO Cc1cc(N)nc(S[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000272437227 178108830 /nfs/dbraw/zinc/10/88/30/178108830.db2.gz RYVQZHZFEGIUIW-APPZFPTMSA-N 1 2 223.345 2.648 20 0 BFADLO Cc1cc(N2CCC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000266245126 178112125 /nfs/dbraw/zinc/11/21/25/178112125.db2.gz YJERHYYTFKQCKK-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1cc(N2CCC3(CCCC3)C2)nc[nH+]1 ZINC000301476975 178112170 /nfs/dbraw/zinc/11/21/70/178112170.db2.gz TXRJXFIBBFBGRI-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO Cc1cc(N2CC(C3CCCCC3)C2)nc[nH+]1 ZINC000338816992 178112834 /nfs/dbraw/zinc/11/28/34/178112834.db2.gz ULKUUYOMKPXNRN-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CCC[C@H]2CF)nc(C(C)C)[nH+]1 ZINC000334387617 178116055 /nfs/dbraw/zinc/11/60/55/178116055.db2.gz PLUUWDFCKNNQRQ-NSHDSACASA-N 1 2 237.322 2.847 20 0 BFADLO Cc1cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)nc[nH+]1 ZINC000302048095 178118114 /nfs/dbraw/zinc/11/81/14/178118114.db2.gz MBJQKVRZQNSRNW-BXUZGUMPSA-N 1 2 231.343 2.802 20 0 BFADLO CC(C)Oc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000576320686 365564122 /nfs/dbraw/zinc/56/41/22/365564122.db2.gz IKYUMPQGJPMLFP-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000265397953 178118481 /nfs/dbraw/zinc/11/84/81/178118481.db2.gz WZWGIMQVXWRORV-SECBINFHSA-N 1 2 217.316 2.509 20 0 BFADLO Cc1cc(N2CC[C@]3(CC[C@@H](C)C3)C2)nc[nH+]1 ZINC000302048097 178118909 /nfs/dbraw/zinc/11/89/09/178118909.db2.gz MBJQKVRZQNSRNW-RISCZKNCSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CC[C@]3(CC[C@H](C)C3)C2)nc[nH+]1 ZINC000302048096 178119068 /nfs/dbraw/zinc/11/90/68/178119068.db2.gz MBJQKVRZQNSRNW-FZMZJTMJSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H]2C)nc[nH+]1 ZINC000336539075 178119223 /nfs/dbraw/zinc/11/92/23/178119223.db2.gz MFPXZURHDWYQJL-IUCAKERBSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000302162843 178122491 /nfs/dbraw/zinc/12/24/91/178122491.db2.gz KEGHNPHZHOMQLV-UHTWSYAYSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(NC(=O)CC[C@@H]2CC[C@H](C)O2)cc[nH+]1 ZINC000175085950 178128011 /nfs/dbraw/zinc/12/80/11/178128011.db2.gz GLDFMSXIFGGOHV-AAEUAGOBSA-N 1 2 248.326 2.676 20 0 BFADLO Cc1cc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000119142999 178137537 /nfs/dbraw/zinc/13/75/37/178137537.db2.gz QSUSDGWMXWOEBW-GHMZBOCLSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC000119952942 178137602 /nfs/dbraw/zinc/13/76/02/178137602.db2.gz HMNPYAHMOTUJEC-WDEREUQCSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000119142886 178138087 /nfs/dbraw/zinc/13/80/87/178138087.db2.gz QSUSDGWMXWOEBW-QWRGUYRKSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CCC2(C)C)cc[nH+]1 ZINC000287244504 178141656 /nfs/dbraw/zinc/14/16/56/178141656.db2.gz WXJOPMPKYWQHCO-NSHDSACASA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)c2cc(C(C)C)on2)cc[nH+]1 ZINC000164031341 178149396 /nfs/dbraw/zinc/14/93/96/178149396.db2.gz JTHUKUQWKIAWAW-UHFFFAOYSA-N 1 2 245.282 2.754 20 0 BFADLO Cc1cc(NC(=O)c2cc(C3CC3)no2)cc[nH+]1 ZINC000281616588 178150615 /nfs/dbraw/zinc/15/06/15/178150615.db2.gz HGRGSLMOEYNRHR-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339673743 187329172 /nfs/dbraw/zinc/32/91/72/187329172.db2.gz LYPJSLOMBKULPS-LLVKDONJSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339673743 187329173 /nfs/dbraw/zinc/32/91/73/187329173.db2.gz LYPJSLOMBKULPS-LLVKDONJSA-N 1 2 247.342 2.569 20 0 BFADLO Cc1cc(NCCC2CC2)nc(C2CC2)[nH+]1 ZINC000172778265 178158509 /nfs/dbraw/zinc/15/85/09/178158509.db2.gz FBGMECXGIJPQLI-UHFFFAOYSA-N 1 2 217.316 2.874 20 0 BFADLO Cc1cc(NCCCCF)nc(C2CC2)[nH+]1 ZINC000309861918 178159855 /nfs/dbraw/zinc/15/98/55/178159855.db2.gz MYAHZKBYKFLILN-UHFFFAOYSA-N 1 2 223.295 2.824 20 0 BFADLO Cc1cc(NCCCCO)c2cccc(F)c2[nH+]1 ZINC000278685577 178160212 /nfs/dbraw/zinc/16/02/12/178160212.db2.gz HBUCJBWSBHBBMM-UHFFFAOYSA-N 1 2 248.301 2.867 20 0 BFADLO Cc1cc(NC[C@@H]2CC=CCC2)nc[nH+]1 ZINC000301283211 178165074 /nfs/dbraw/zinc/16/50/74/178165074.db2.gz YIELAWALPPVMME-LLVKDONJSA-N 1 2 203.289 2.553 20 0 BFADLO Cc1cc(NCCO[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000110212980 178161888 /nfs/dbraw/zinc/16/18/88/178161888.db2.gz QNWPVKGSPLLXFD-DGCLKSJQSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(NCCOc2ccccc2C)nc[nH+]1 ZINC000301231642 178162068 /nfs/dbraw/zinc/16/20/68/178162068.db2.gz HYMGHGZAFNTCCY-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO Cc1cc(NCCc2cccs2)nc[nH+]1 ZINC000040727085 178163719 /nfs/dbraw/zinc/16/37/19/178163719.db2.gz RCWUEYOFQHDJJC-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)cc1F ZINC000576335089 365567887 /nfs/dbraw/zinc/56/78/87/365567887.db2.gz NHUWTBCGLZANNU-OWOJBTEDSA-N 1 2 235.237 2.813 20 0 BFADLO Cc1cc(NCc2ccc(F)c(C)c2)nc[nH+]1 ZINC000301250002 178171582 /nfs/dbraw/zinc/17/15/82/178171582.db2.gz PKMULZKUWBGRJQ-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ncccn2)s1 ZINC000576410409 365589687 /nfs/dbraw/zinc/58/96/87/365589687.db2.gz JYHYCEQHGAGRAN-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cc(N[C@H]2CCCC23CCOCC3)nc[nH+]1 ZINC000336990200 178188659 /nfs/dbraw/zinc/18/86/59/178188659.db2.gz KFWHLSIDLDCTGJ-LBPRGKRZSA-N 1 2 247.342 2.546 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000302028979 178181975 /nfs/dbraw/zinc/18/19/75/178181975.db2.gz JBJIWERNIRWYCW-ZYHUDNBSSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1cc(N[C@@H]2CCc3c2cccc3O)nc[nH+]1 ZINC000301489335 178183193 /nfs/dbraw/zinc/18/31/93/178183193.db2.gz KZMQKUQCESQNGC-GFCCVEGCSA-N 1 2 241.294 2.590 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000044677680 178184575 /nfs/dbraw/zinc/18/45/75/178184575.db2.gz BTNOZUDOLIAGSP-CHWSQXEVSA-N 1 2 225.295 2.753 20 0 BFADLO Cc1cc(N[C@H]2CCCO[C@@H]2CC(C)C)nc[nH+]1 ZINC000302483243 178188790 /nfs/dbraw/zinc/18/87/90/178188790.db2.gz RRMGCOLJQMJLNI-QWHCGFSZSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N[C@H]2CSC2(C)C)nc(C2CC2)[nH+]1 ZINC000276435738 178190649 /nfs/dbraw/zinc/19/06/49/178190649.db2.gz KBMAPVSJSWVPML-JTQLQIEISA-N 1 2 249.383 2.968 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@@H](CC(C)C)C2)nc[nH+]1 ZINC000346206060 178191094 /nfs/dbraw/zinc/19/10/94/178191094.db2.gz IGTPUTYVZFFRNN-STQMWFEESA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N[C@H]2CCOC2)c2cccc(F)c2[nH+]1 ZINC000301773919 178191152 /nfs/dbraw/zinc/19/11/52/178191152.db2.gz MQJYBECDUXMALR-JTQLQIEISA-N 1 2 246.285 2.883 20 0 BFADLO Cc1cc(N[C@]2(C)CCCOC2)nc(C(C)C)[nH+]1 ZINC000357213258 178191693 /nfs/dbraw/zinc/19/16/93/178191693.db2.gz QXYNLUULECCCPK-CQSZACIVSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H]2Cc2ccccc2)nc[nH+]1 ZINC000361090963 178192026 /nfs/dbraw/zinc/19/20/26/178192026.db2.gz ZFKBHYBBMIBCDL-KBPBESRZSA-N 1 2 239.322 2.828 20 0 BFADLO C[C@@]1(F)CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000334184175 136223976 /nfs/dbraw/zinc/22/39/76/136223976.db2.gz FTOSPSRPVWYRNW-WCQYABFASA-N 1 2 236.290 2.697 20 0 BFADLO C[C@@]1(F)CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000334184175 136223977 /nfs/dbraw/zinc/22/39/77/136223977.db2.gz FTOSPSRPVWYRNW-WCQYABFASA-N 1 2 236.290 2.697 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)ccc1F ZINC000361862513 178228994 /nfs/dbraw/zinc/22/89/94/178228994.db2.gz OFFGSQYUMOEEFM-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnoc2C)no1 ZINC000372459518 178241849 /nfs/dbraw/zinc/24/18/49/178241849.db2.gz FKEFSDBLIDOOLZ-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnoc2C)no1 ZINC000372459518 178241851 /nfs/dbraw/zinc/24/18/51/178241851.db2.gz FKEFSDBLIDOOLZ-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000430861530 398233537 /nfs/dbraw/zinc/23/35/37/398233537.db2.gz BQBPKFHYHYSFBX-SECBINFHSA-N 1 2 241.285 2.676 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000430861530 398233540 /nfs/dbraw/zinc/23/35/40/398233540.db2.gz BQBPKFHYHYSFBX-SECBINFHSA-N 1 2 241.285 2.676 20 0 BFADLO O=C(CC1CCCC1)Nc1cccc2[nH+]ccn21 ZINC000266181790 187332977 /nfs/dbraw/zinc/33/29/77/187332977.db2.gz YDNJQOPZWSRGFQ-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ncc[nH]1 ZINC000278969438 538935393 /nfs/dbraw/zinc/93/53/93/538935393.db2.gz OKNQISOPDSSRCE-SNVBAGLBSA-N 1 2 245.301 2.889 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccon2)ccc1F ZINC000268906700 178251757 /nfs/dbraw/zinc/25/17/57/178251757.db2.gz GVJGIFJGBTTZMV-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccnc2)no1 ZINC000283675665 178254192 /nfs/dbraw/zinc/25/41/92/178254192.db2.gz YQIBOQRNDCFYLG-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc([C@H](C)N[C@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000337403456 178258303 /nfs/dbraw/zinc/25/83/03/178258303.db2.gz QXEOXQGUBYCRLC-AAEUAGOBSA-N 1 2 248.370 2.784 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)no1 ZINC000337234368 178258722 /nfs/dbraw/zinc/25/87/22/178258722.db2.gz AJPKLWWXPXGFMG-ZJUUUORDSA-N 1 2 249.289 2.929 20 0 BFADLO CCC(CC)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000050506397 168363200 /nfs/dbraw/zinc/36/32/00/168363200.db2.gz KCYDXTMRWFGIHW-AWEZNQCLSA-N 1 2 249.354 2.927 20 0 BFADLO CSc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)nc1 ZINC000286006900 538942571 /nfs/dbraw/zinc/94/25/71/538942571.db2.gz HWSMYOYWKMNKFK-QMMMGPOBSA-N 1 2 234.328 2.700 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCCOCC1 ZINC000366424826 178298685 /nfs/dbraw/zinc/29/86/85/178298685.db2.gz KGAXQAAYLNBBGL-UHFFFAOYSA-N 1 2 242.322 2.770 20 0 BFADLO CCOc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286258559 538943594 /nfs/dbraw/zinc/94/35/94/538943594.db2.gz VABUUMZITKHBQN-SNVBAGLBSA-N 1 2 231.299 2.982 20 0 BFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C(C)C ZINC000279889367 178339058 /nfs/dbraw/zinc/33/90/58/178339058.db2.gz DXXMGPJBBXWLSB-UHFFFAOYSA-N 1 2 243.310 2.980 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000442797868 398262064 /nfs/dbraw/zinc/26/20/64/398262064.db2.gz HZZCVBQEUSRDSB-QWRGUYRKSA-N 1 2 249.358 2.803 20 0 BFADLO O=C1CCC(C[N@H+]2CCCC[C@@H]2C(F)F)CC1 ZINC000335130725 136233258 /nfs/dbraw/zinc/23/32/58/136233258.db2.gz LMTXSDHHMALJJN-GFCCVEGCSA-N 1 2 245.313 2.865 20 0 BFADLO O=C1CCC(C[N@@H+]2CCCC[C@@H]2C(F)F)CC1 ZINC000335130725 136233259 /nfs/dbraw/zinc/23/32/59/136233259.db2.gz LMTXSDHHMALJJN-GFCCVEGCSA-N 1 2 245.313 2.865 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000378789753 346837036 /nfs/dbraw/zinc/83/70/36/346837036.db2.gz LUDDOVYTBVUKSI-UHFFFAOYSA-N 1 2 224.254 2.913 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ccon2)CC1 ZINC000179653208 538955502 /nfs/dbraw/zinc/95/55/02/538955502.db2.gz KWXCVNNBVNGJOQ-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO CCCC[C@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000180579118 538958651 /nfs/dbraw/zinc/95/86/51/538958651.db2.gz MIBGEJJOMOWACQ-ZYHUDNBSSA-N 1 2 239.363 2.574 20 0 BFADLO O[C@@H]1C[N@H+](CCC2=CCCCC2)CC(F)(F)C1 ZINC000649473790 398272649 /nfs/dbraw/zinc/27/26/49/398272649.db2.gz IJTFFRDFYCUNHK-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO O[C@@H]1C[N@@H+](CCC2=CCCCC2)CC(F)(F)C1 ZINC000649473790 398272651 /nfs/dbraw/zinc/27/26/51/398272651.db2.gz IJTFFRDFYCUNHK-LBPRGKRZSA-N 1 2 245.313 2.579 20 0 BFADLO Fc1cccc(C2([NH2+]CC(F)F)CC2)c1 ZINC000179697408 538956188 /nfs/dbraw/zinc/95/61/88/538956188.db2.gz KDXVOFFYHZFIRL-UHFFFAOYSA-N 1 2 215.218 2.670 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1c(C)cccc1C)C(C)C ZINC000083381187 398278073 /nfs/dbraw/zinc/27/80/73/398278073.db2.gz LTOAQSBDVAFNJG-CQSZACIVSA-N 1 2 249.354 2.591 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccno2)c(Cl)c1 ZINC000231895619 342743359 /nfs/dbraw/zinc/74/33/59/342743359.db2.gz FYJSVZLTVDLZNQ-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCc1cc(N[C@@H](C)[C@H](C)CC)nc[nH+]1 ZINC000042556922 342777808 /nfs/dbraw/zinc/77/78/08/342777808.db2.gz YOXCJQJUUDSBPF-ZJUUUORDSA-N 1 2 207.321 2.886 20 0 BFADLO COc1ccc(F)cc1-c1c[nH+]c(C)n1C ZINC000630049995 361911673 /nfs/dbraw/zinc/91/16/73/361911673.db2.gz LKCCLTFNBLKZLK-UHFFFAOYSA-N 1 2 220.247 2.543 20 0 BFADLO CCCc1nc(C[N@H+](C)CCC(C)C)no1 ZINC000054990372 398285273 /nfs/dbraw/zinc/28/52/73/398285273.db2.gz YMTZVWHIQXROBN-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)CCC(C)C)no1 ZINC000054990372 398285277 /nfs/dbraw/zinc/28/52/77/398285277.db2.gz YMTZVWHIQXROBN-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCC(CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000047979127 168393076 /nfs/dbraw/zinc/39/30/76/168393076.db2.gz PZXRPMNHSPQNGN-ZDUSSCGKSA-N 1 2 235.327 2.679 20 0 BFADLO CCC(CC)[NH2+][C@H](C(=O)OC)c1ccsc1 ZINC000278577111 168393135 /nfs/dbraw/zinc/39/31/35/168393135.db2.gz BGYGMIJZJGQWDG-NSHDSACASA-N 1 2 241.356 2.740 20 0 BFADLO CC(C)c1[nH+]cc(-c2cccc3c2OCO3)n1C ZINC000630051579 361918587 /nfs/dbraw/zinc/91/85/87/361918587.db2.gz AKNTUBYQAWKBCX-UHFFFAOYSA-N 1 2 244.294 2.939 20 0 BFADLO Cc1ccc(-c2c[nH+]c3n2CCCC3)c(CO)c1 ZINC000630052123 361920190 /nfs/dbraw/zinc/92/01/90/361920190.db2.gz FYXBLQYNPRWEHF-UHFFFAOYSA-N 1 2 242.322 2.687 20 0 BFADLO CCC(CC)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301297601 168394026 /nfs/dbraw/zinc/39/40/26/168394026.db2.gz SLUNHXFYSLFXIA-UHFFFAOYSA-N 1 2 234.347 2.899 20 0 BFADLO CCC(CC)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301297601 168394029 /nfs/dbraw/zinc/39/40/29/168394029.db2.gz SLUNHXFYSLFXIA-UHFFFAOYSA-N 1 2 234.347 2.899 20 0 BFADLO CCC(CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000110111460 168395331 /nfs/dbraw/zinc/39/53/31/168395331.db2.gz NMJHRLPLAIOGRV-UHFFFAOYSA-N 1 2 205.305 2.955 20 0 BFADLO COc1ccc(NC2CC(C)(C)C2)[nH+]c1 ZINC000380345849 538989122 /nfs/dbraw/zinc/98/91/22/538989122.db2.gz SZVBDESXUQPATK-UHFFFAOYSA-N 1 2 206.289 2.691 20 0 BFADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)C1CC1 ZINC000379999345 538983088 /nfs/dbraw/zinc/98/30/88/538983088.db2.gz LTTNNRRFEKMJMV-LLVKDONJSA-N 1 2 206.289 2.691 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cncs1 ZINC000380064386 538984444 /nfs/dbraw/zinc/98/44/44/538984444.db2.gz BRRAZAGAENCOEB-IONNQARKSA-N 1 2 232.299 2.982 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H](C)CCCCO)C(F)(F)F ZINC000381520600 539003471 /nfs/dbraw/zinc/00/34/71/539003471.db2.gz UNCOQOOJDLVILD-UWVGGRQHSA-N 1 2 241.297 2.714 20 0 BFADLO CC(C)[C@H](NC(=O)CCCC1CC1)c1[nH]cc[nH+]1 ZINC000640730869 361964143 /nfs/dbraw/zinc/96/41/43/361964143.db2.gz ZZOQVAYWGSBQEV-ZDUSSCGKSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CCCO2)c(C)[nH+]1 ZINC000381065858 538994448 /nfs/dbraw/zinc/99/44/48/538994448.db2.gz MQZJMCDRSLPORC-YPMHNXCESA-N 1 2 220.316 2.678 20 0 BFADLO CC(C)n1cc(C[NH2+]C(C)(C)C(F)F)cn1 ZINC000381255479 538997293 /nfs/dbraw/zinc/99/72/93/538997293.db2.gz QQSVNLHFVINGBJ-UHFFFAOYSA-N 1 2 231.290 2.597 20 0 BFADLO CCCC[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625048168 342845779 /nfs/dbraw/zinc/84/57/79/342845779.db2.gz RMUFNCPRBNQFCZ-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CCCC[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625048168 342845781 /nfs/dbraw/zinc/84/57/81/342845781.db2.gz RMUFNCPRBNQFCZ-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625065990 342847853 /nfs/dbraw/zinc/84/78/53/342847853.db2.gz SOEYNRSUIDBYFU-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625065990 342847854 /nfs/dbraw/zinc/84/78/54/342847854.db2.gz SOEYNRSUIDBYFU-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO CCCCc1cc(N[C@H](C)CF)nc[nH+]1 ZINC000631286522 342856113 /nfs/dbraw/zinc/85/61/13/342856113.db2.gz VMGUUCUAMSSIRL-SECBINFHSA-N 1 2 211.284 2.589 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625108716 342859631 /nfs/dbraw/zinc/85/96/31/342859631.db2.gz JNDIZIDTOISNGE-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625108716 342859632 /nfs/dbraw/zinc/85/96/32/342859632.db2.gz JNDIZIDTOISNGE-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625158454 342897026 /nfs/dbraw/zinc/89/70/26/342897026.db2.gz BOJZMEMPBKKYFC-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625158454 342897027 /nfs/dbraw/zinc/89/70/27/342897027.db2.gz BOJZMEMPBKKYFC-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO Cc1csc(CCNc2cccc[nH+]2)n1 ZINC000058000457 398321220 /nfs/dbraw/zinc/32/12/20/398321220.db2.gz WEIHRGWXDCRPGL-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO CCC[N@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625135004 342886014 /nfs/dbraw/zinc/88/60/14/342886014.db2.gz AXDYKHYXGCUGMU-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CCC[N@@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625135004 342886016 /nfs/dbraw/zinc/88/60/16/342886016.db2.gz AXDYKHYXGCUGMU-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)[C@@H]1C ZINC000625185393 342904740 /nfs/dbraw/zinc/90/47/40/342904740.db2.gz BVVIIXAKFBAYFO-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)[C@@H]1C ZINC000625185393 342904741 /nfs/dbraw/zinc/90/47/41/342904741.db2.gz BVVIIXAKFBAYFO-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625212372 342914710 /nfs/dbraw/zinc/91/47/10/342914710.db2.gz HXHGWRNYEZRXAI-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625212372 342914712 /nfs/dbraw/zinc/91/47/12/342914712.db2.gz HXHGWRNYEZRXAI-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000045751998 342915891 /nfs/dbraw/zinc/91/58/91/342915891.db2.gz AUYASUPBEYPAHA-GFCCVEGCSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000045751998 342915893 /nfs/dbraw/zinc/91/58/93/342915893.db2.gz AUYASUPBEYPAHA-GFCCVEGCSA-N 1 2 239.746 2.951 20 0 BFADLO C[C@H]1CC[C@H](C)[NH+]1Cc1noc(C2CCC2)n1 ZINC000625225074 342921234 /nfs/dbraw/zinc/92/12/34/342921234.db2.gz VICWPLPLYFKIPI-UWVGGRQHSA-N 1 2 235.331 2.710 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2cc(C)cc(C)c2)o1 ZINC000351627306 136248640 /nfs/dbraw/zinc/24/86/40/136248640.db2.gz GERAVWBKWFHKDF-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2cc(C)cc(C)c2)o1 ZINC000351627306 136248641 /nfs/dbraw/zinc/24/86/41/136248641.db2.gz GERAVWBKWFHKDF-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(CNc2c[nH+]cc(C)c2)cs1 ZINC000125084481 398339214 /nfs/dbraw/zinc/33/92/14/398339214.db2.gz RWAFMMCDDZKTDN-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC[C@@H](CNc1cc[nH+]c(C)n1)CC(F)(F)F ZINC000402710474 529474739 /nfs/dbraw/zinc/47/47/39/529474739.db2.gz UKXGACVENAIXOR-SECBINFHSA-N 1 2 247.264 2.597 20 0 BFADLO CC(C)Cn1cc[nH+]c1CNc1cccc(F)n1 ZINC000301738808 187206859 /nfs/dbraw/zinc/20/68/59/187206859.db2.gz CSCRDXCMAOEQST-UHFFFAOYSA-N 1 2 248.305 2.685 20 0 BFADLO CC(C)c1nc(N(C)CC[C@@H]2CCCO2)cc[nH+]1 ZINC000302698315 187207193 /nfs/dbraw/zinc/20/71/93/187207193.db2.gz HNAXYAKXPUSTAR-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO C[C@@H](N(C)c1nc[nH+]c(N)c1Cl)C(C)(C)C ZINC000235187244 342990022 /nfs/dbraw/zinc/99/00/22/342990022.db2.gz RHLZZVWZFTYZCH-SSDOTTSWSA-N 1 2 242.754 2.583 20 0 BFADLO C[C@@H](N(C)c1[nH+]cnc(N)c1Cl)C(C)(C)C ZINC000235187244 342990023 /nfs/dbraw/zinc/99/00/23/342990023.db2.gz RHLZZVWZFTYZCH-SSDOTTSWSA-N 1 2 242.754 2.583 20 0 BFADLO c1c2ccccc2oc1C[N@@H+]1CCOCC12CC2 ZINC000335903202 136260081 /nfs/dbraw/zinc/26/00/81/136260081.db2.gz JKVIVMMILUUVEM-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO c1c2ccccc2oc1C[N@H+]1CCOCC12CC2 ZINC000335903202 136260082 /nfs/dbraw/zinc/26/00/82/136260082.db2.gz JKVIVMMILUUVEM-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC000493272517 529593781 /nfs/dbraw/zinc/59/37/81/529593781.db2.gz VHRSJALDNRMZCI-AEZGRPFRSA-N 1 2 249.358 2.683 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2ccco2)n1 ZINC000038090617 343059678 /nfs/dbraw/zinc/05/96/78/343059678.db2.gz LJABZPKBFAJJNL-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000043393696 343062596 /nfs/dbraw/zinc/06/25/96/343062596.db2.gz MEPZZFPCJWQJJN-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO c1nc(C[N@H+]2[C@H]3C=CC[C@@H]2CC3)oc1C1CC1 ZINC000378324262 187227418 /nfs/dbraw/zinc/22/74/18/187227418.db2.gz SVNVSTFNIZNDCG-NWDGAFQWSA-N 1 2 230.311 2.845 20 0 BFADLO c1nc(C[N@@H+]2[C@H]3C=CC[C@@H]2CC3)oc1C1CC1 ZINC000378324262 187227419 /nfs/dbraw/zinc/22/74/19/187227419.db2.gz SVNVSTFNIZNDCG-NWDGAFQWSA-N 1 2 230.311 2.845 20 0 BFADLO c1ccc(NCC2=Cc3ccccc3OC2)[nH+]c1 ZINC000040541695 187231075 /nfs/dbraw/zinc/23/10/75/187231075.db2.gz VHAKVQHSKMILSN-UHFFFAOYSA-N 1 2 238.290 2.970 20 0 BFADLO CCC[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631116999 346924228 /nfs/dbraw/zinc/92/42/28/346924228.db2.gz IOIWKLNWQBSVMB-ZDUSSCGKSA-N 1 2 230.311 2.808 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126776830 187232586 /nfs/dbraw/zinc/23/25/86/187232586.db2.gz SXDUONMUCOZTCU-OAHLLOKOSA-N 1 2 247.338 2.732 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126776830 187232588 /nfs/dbraw/zinc/23/25/88/187232588.db2.gz SXDUONMUCOZTCU-OAHLLOKOSA-N 1 2 247.338 2.732 20 0 BFADLO C1=CC[C@H](Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000265467285 187235057 /nfs/dbraw/zinc/23/50/57/187235057.db2.gz BUGBQWRQQKXWBD-NSHDSACASA-N 1 2 215.300 2.875 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2C[C@@H]2C(C)C)cc(C)[nH+]1 ZINC000421575286 192354452 /nfs/dbraw/zinc/35/44/52/192354452.db2.gz JQTFHLYMUQXPBC-KGLIPLIRSA-N 1 2 246.354 2.607 20 0 BFADLO C[N@H+](CCC1CC1)Cc1noc(C2CCC2)n1 ZINC000625263795 343146842 /nfs/dbraw/zinc/14/68/42/343146842.db2.gz LKXFKYLQELFNAV-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1noc(C2CCC2)n1 ZINC000625263795 343146845 /nfs/dbraw/zinc/14/68/45/343146845.db2.gz LKXFKYLQELFNAV-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1oc(C)cc1C ZINC000176299846 365715263 /nfs/dbraw/zinc/71/52/63/365715263.db2.gz UCUXFOGQFUTCBB-UHFFFAOYSA-N 1 2 246.266 2.552 20 0 BFADLO CSc1ccc(NCc2conc2C)[nH+]c1 ZINC000293194986 187240927 /nfs/dbraw/zinc/24/09/27/187240927.db2.gz IGIFNYVYGGYFAW-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO CCCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000421576429 192355040 /nfs/dbraw/zinc/35/50/40/192355040.db2.gz MJICIFAYYWXYQK-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCCC2(CC2)C1 ZINC000625329197 343235021 /nfs/dbraw/zinc/23/50/21/343235021.db2.gz ALKNVEGDGVRXDR-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCCC2(CC2)C1 ZINC000625329197 343235024 /nfs/dbraw/zinc/23/50/24/343235024.db2.gz ALKNVEGDGVRXDR-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO Cc1c(Cl)cccc1NCc1[nH+]ccn1C ZINC000036804501 343324707 /nfs/dbraw/zinc/32/47/07/343324707.db2.gz UEKQQGFTHXNGEI-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO c1coc(CNc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000036982145 343329034 /nfs/dbraw/zinc/32/90/34/343329034.db2.gz OFHBEDMYPWSREI-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO Cc1nc(N(C)[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000525699174 259357849 /nfs/dbraw/zinc/35/78/49/259357849.db2.gz AJIJVVGZLBCIRZ-SECBINFHSA-N 1 2 207.321 2.656 20 0 BFADLO Cc1nc(N(C)[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000525699175 259357867 /nfs/dbraw/zinc/35/78/67/259357867.db2.gz AJIJVVGZLBCIRZ-VIFPVBQESA-N 1 2 207.321 2.656 20 0 BFADLO CCC[C@](C)([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952476 343362404 /nfs/dbraw/zinc/36/24/04/343362404.db2.gz ICFQKXGDEWSQBW-AWEZNQCLSA-N 1 2 235.327 2.508 20 0 BFADLO CCC[C@@H](C)CCC[N@H+](CCO)CC(F)F ZINC000625383100 343366049 /nfs/dbraw/zinc/36/60/49/343366049.db2.gz ISAJOPHKZSRECH-LLVKDONJSA-N 1 2 237.334 2.762 20 0 BFADLO CCC[C@@H](C)CCC[N@@H+](CCO)CC(F)F ZINC000625383100 343366051 /nfs/dbraw/zinc/36/60/51/343366051.db2.gz ISAJOPHKZSRECH-LLVKDONJSA-N 1 2 237.334 2.762 20 0 BFADLO CCCC1(C(=O)Nc2cc[nH+]cc2CC)CC1 ZINC000348805752 136301475 /nfs/dbraw/zinc/30/14/75/136301475.db2.gz DCDKIHQXYIMXFL-UHFFFAOYSA-N 1 2 232.327 2.585 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(C)CCCC1 ZINC000335671119 136313266 /nfs/dbraw/zinc/31/32/66/136313266.db2.gz YAKUZXSEXQVHEA-UHFFFAOYSA-N 1 2 232.327 2.585 20 0 BFADLO c1cc(N2CCCC2)c[nH+]c1N[C@H]1CCSC1 ZINC000335661156 136315305 /nfs/dbraw/zinc/31/53/05/136315305.db2.gz WKGNNQWIQVPXBX-NSHDSACASA-N 1 2 249.383 2.599 20 0 BFADLO Cc1c(Cl)cnn1Cc1ccc(C)[nH+]c1C ZINC000335690283 136324605 /nfs/dbraw/zinc/32/46/05/136324605.db2.gz XOBBCHBDBXFTCS-UHFFFAOYSA-N 1 2 235.718 2.905 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1noc(-c2ccsc2)n1 ZINC000335690280 136324748 /nfs/dbraw/zinc/32/47/48/136324748.db2.gz WWMUEMVQWXAIIE-DTORHVGOSA-N 1 2 249.339 2.781 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1noc(-c2ccsc2)n1 ZINC000335690280 136324749 /nfs/dbraw/zinc/32/47/49/136324749.db2.gz WWMUEMVQWXAIIE-DTORHVGOSA-N 1 2 249.339 2.781 20 0 BFADLO Cc1cc(OC[C@H]2CCOC2)c2ccccc2[nH+]1 ZINC000335694814 136326409 /nfs/dbraw/zinc/32/64/09/136326409.db2.gz VGGFEULXBFDTFJ-LBPRGKRZSA-N 1 2 243.306 2.959 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)o1 ZINC000090720358 343410754 /nfs/dbraw/zinc/41/07/54/343410754.db2.gz UYJZWWPTCKFYKJ-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1ocnc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335704845 136335316 /nfs/dbraw/zinc/33/53/16/136335316.db2.gz FPBVUQUGHQPMEM-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000350519386 136361754 /nfs/dbraw/zinc/36/17/54/136361754.db2.gz YXTLYISQAXABAH-BZPMIXESSA-N 1 2 235.375 2.519 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000351107852 136368008 /nfs/dbraw/zinc/36/80/08/136368008.db2.gz ZJMMTXCPHIVKDB-OAHLLOKOSA-N 1 2 233.355 2.852 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000351107852 136368009 /nfs/dbraw/zinc/36/80/09/136368009.db2.gz ZJMMTXCPHIVKDB-OAHLLOKOSA-N 1 2 233.355 2.852 20 0 BFADLO CCn1nccc1C[N@H+](CC)CCC(F)(F)F ZINC000678222049 488220077 /nfs/dbraw/zinc/22/00/77/488220077.db2.gz DVKDMXRLAJNRGU-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCn1nccc1C[N@@H+](CC)CCC(F)(F)F ZINC000678222049 488220083 /nfs/dbraw/zinc/22/00/83/488220083.db2.gz DVKDMXRLAJNRGU-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CN(CC1CCC1)c1[nH]c2ccccc2[nH+]1 ZINC000258746449 136373868 /nfs/dbraw/zinc/37/38/68/136373868.db2.gz IEPIFLPZJWKMAT-UHFFFAOYSA-N 1 2 215.300 2.799 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cnn(C)c1 ZINC000044496057 343503716 /nfs/dbraw/zinc/50/37/16/343503716.db2.gz SIUHONQAYLXGKE-LLVKDONJSA-N 1 2 244.342 2.659 20 0 BFADLO CCCCC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000047979048 343569453 /nfs/dbraw/zinc/56/94/53/343569453.db2.gz VPIXIUMELLWHPN-ZDUSSCGKSA-N 1 2 235.327 2.681 20 0 BFADLO CCC[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421564572 192362727 /nfs/dbraw/zinc/36/27/27/192362727.db2.gz ZOJQMFQYSYPNNE-SNVBAGLBSA-N 1 2 234.343 2.751 20 0 BFADLO Cc1cc(NC2C(C)(C)C2(C)C)nc[nH+]1 ZINC000086240491 343615533 /nfs/dbraw/zinc/61/55/33/343615533.db2.gz ZKCQWONDBNCTJC-UHFFFAOYSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccccn2)cs1 ZINC000049591165 343603672 /nfs/dbraw/zinc/60/36/72/343603672.db2.gz KISOBNCBFKQFQS-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)sc1C ZINC000140925635 343636762 /nfs/dbraw/zinc/63/67/62/343636762.db2.gz JQGMMJBWQQUJNB-MRVPVSSYSA-N 1 2 249.339 2.579 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccccc1 ZINC000052857789 343640869 /nfs/dbraw/zinc/64/08/69/343640869.db2.gz QJCWZFURRRFGSF-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccccc1 ZINC000052857789 343640873 /nfs/dbraw/zinc/64/08/73/343640873.db2.gz QJCWZFURRRFGSF-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2scnc2c1 ZINC000177375835 343653378 /nfs/dbraw/zinc/65/33/78/343653378.db2.gz NJBZJTFYORRYKL-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO C/C=C(\C)C(=O)OCc1c[nH+]ccc1OC(C)C ZINC000286916466 187345898 /nfs/dbraw/zinc/34/58/98/187345898.db2.gz KNNGWSFDTCXZAT-VZUCSPMQSA-N 1 2 249.310 2.878 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NOC1CCCC1 ZINC000287610759 187345923 /nfs/dbraw/zinc/34/59/23/187345923.db2.gz SUKDAYAMIWJKIK-UHFFFAOYSA-N 1 2 249.314 2.694 20 0 BFADLO CC(C)[C@H](O)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292846138 187349364 /nfs/dbraw/zinc/34/93/64/187349364.db2.gz VFOOWEGBGNBFBW-VXGBXAGGSA-N 1 2 243.297 2.599 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccon1 ZINC000336444405 537811856 /nfs/dbraw/zinc/81/18/56/537811856.db2.gz ZNDLQWYFSZGDRS-WCBMZHEXSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccon1 ZINC000336444405 537811862 /nfs/dbraw/zinc/81/18/62/537811862.db2.gz ZNDLQWYFSZGDRS-WCBMZHEXSA-N 1 2 248.248 2.837 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C(C)(C)C1(F)F ZINC000624407477 343757579 /nfs/dbraw/zinc/75/75/79/343757579.db2.gz FKGNUZDFVZLWJU-SECBINFHSA-N 1 2 242.269 2.793 20 0 BFADLO COc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000336710757 537831275 /nfs/dbraw/zinc/83/12/75/537831275.db2.gz RXKDJUBMZCXIKZ-SECBINFHSA-N 1 2 217.272 2.591 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CC[C@H]2C2CC2)c1 ZINC000336729986 537831905 /nfs/dbraw/zinc/83/19/05/537831905.db2.gz JMYXHYUNRNKQPZ-STQMWFEESA-N 1 2 202.301 2.991 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CC[C@H]2C2CC2)c1 ZINC000336729985 537832103 /nfs/dbraw/zinc/83/21/03/537832103.db2.gz JMYXHYUNRNKQPZ-QWHCGFSZSA-N 1 2 202.301 2.991 20 0 BFADLO CC(C)([NH2+]Cc1ccc(C#N)s1)C(F)F ZINC000393619737 343902048 /nfs/dbraw/zinc/90/20/48/343902048.db2.gz BKMRLZLRRNSTAL-UHFFFAOYSA-N 1 2 230.283 2.753 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1c(C)cccc1C ZINC000096811137 343903957 /nfs/dbraw/zinc/90/39/57/343903957.db2.gz QJMMPHYGCYEHHQ-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1c(C)cccc1C ZINC000096811137 343903959 /nfs/dbraw/zinc/90/39/59/343903959.db2.gz QJMMPHYGCYEHHQ-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CN(C)c1ccc(NCc2ccccc2)[nH+]c1 ZINC000150911509 192368378 /nfs/dbraw/zinc/36/83/78/192368378.db2.gz JYGSEHWLFWRLPV-UHFFFAOYSA-N 1 2 227.311 2.760 20 0 BFADLO Cc1[nH]c(CN(C)Cc2cccc(F)c2)[nH+]c1C ZINC000628119096 343970647 /nfs/dbraw/zinc/97/06/47/343970647.db2.gz ARFMYJZDQQKORL-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO CCc1cc(N[C@@H](C)c2nc(C)cs2)nc[nH+]1 ZINC000070987922 343958814 /nfs/dbraw/zinc/95/88/14/343958814.db2.gz PEDSSRKBCPHAQB-VIFPVBQESA-N 1 2 248.355 2.977 20 0 BFADLO Cc1[nH]c(CN2CC[C@@H]2c2ccccc2)[nH+]c1C ZINC000628117502 343966372 /nfs/dbraw/zinc/96/63/72/343966372.db2.gz LKVKVPLPVNVBTM-CQSZACIVSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)[nH]c1C ZINC000628117502 343966374 /nfs/dbraw/zinc/96/63/74/343966374.db2.gz LKVKVPLPVNVBTM-CQSZACIVSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)[nH]c1C ZINC000628117502 343966376 /nfs/dbraw/zinc/96/63/76/343966376.db2.gz LKVKVPLPVNVBTM-CQSZACIVSA-N 1 2 241.338 2.974 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2)[nH]c1C ZINC000628119990 343968616 /nfs/dbraw/zinc/96/86/16/343968616.db2.gz SFXBDLGZVZHXFS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2)[nH]c1C ZINC000628119990 343968619 /nfs/dbraw/zinc/96/86/19/343968619.db2.gz SFXBDLGZVZHXFS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccc(C)cc2)[nH+]c1C ZINC000628119990 343968621 /nfs/dbraw/zinc/96/86/21/343968621.db2.gz SFXBDLGZVZHXFS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)nc1 ZINC000625727769 344058342 /nfs/dbraw/zinc/05/83/42/344058342.db2.gz KXFANUCZQCISNF-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)nc1 ZINC000625727769 344058347 /nfs/dbraw/zinc/05/83/47/344058347.db2.gz KXFANUCZQCISNF-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO C[C@@H]1CCCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641252991 362332447 /nfs/dbraw/zinc/33/24/47/362332447.db2.gz BTFQDNALDDCLDB-PWSUYJOCSA-N 1 2 220.316 2.565 20 0 BFADLO CCc1cc2c(nc(C)nc2-n2cc[nH+]c2)s1 ZINC000641263767 362336057 /nfs/dbraw/zinc/33/60/57/362336057.db2.gz PNCVDMLHOASNLX-UHFFFAOYSA-N 1 2 244.323 2.748 20 0 BFADLO C[C@H](CNc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000641260201 362336315 /nfs/dbraw/zinc/33/63/15/362336315.db2.gz MVCNCSNKWISKNW-GFCCVEGCSA-N 1 2 242.322 2.790 20 0 BFADLO Fc1c[nH+]ccc1N(Cc1ccccn1)C1CC1 ZINC000641265329 362338723 /nfs/dbraw/zinc/33/87/23/362338723.db2.gz DNBFNXIJXABAOL-UHFFFAOYSA-N 1 2 243.285 2.785 20 0 BFADLO Cc1c[nH]c(C[N@H+](Cc2ccco2)C(C)C)n1 ZINC000628130418 344160050 /nfs/dbraw/zinc/16/00/50/344160050.db2.gz ZQVBGOWVTHOCKT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1c[nH]c(C[N@@H+](Cc2ccco2)C(C)C)n1 ZINC000628130418 344160052 /nfs/dbraw/zinc/16/00/52/344160052.db2.gz ZQVBGOWVTHOCKT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO CCN(Cc1ccoc1)c1cc[nH+]cc1F ZINC000641333246 362366681 /nfs/dbraw/zinc/36/66/81/362366681.db2.gz CQDBLEYRNWIWSG-UHFFFAOYSA-N 1 2 220.247 2.840 20 0 BFADLO Cc1csc([C@H](C)Nc2cc(CO)cc[nH+]2)n1 ZINC000641337308 362367594 /nfs/dbraw/zinc/36/75/94/362367594.db2.gz LASYMYJEXFKDDT-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)cc2C)o1 ZINC000588901088 344197891 /nfs/dbraw/zinc/19/78/91/344197891.db2.gz YIWKBDXCNZXMLJ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2ccc(C)cc2C)o1 ZINC000588901088 344197893 /nfs/dbraw/zinc/19/78/93/344197893.db2.gz YIWKBDXCNZXMLJ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H](c2ccco2)C1 ZINC000641367528 362379154 /nfs/dbraw/zinc/37/91/54/362379154.db2.gz LKKPFNOHMJQWPV-SNVBAGLBSA-N 1 2 232.258 2.808 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccco2)s1 ZINC000093807455 344322723 /nfs/dbraw/zinc/32/27/23/344322723.db2.gz GRKLGTVLOZQAPP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccco2)s1 ZINC000093807455 344322725 /nfs/dbraw/zinc/32/27/25/344322725.db2.gz GRKLGTVLOZQAPP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO COC1CCC(N(C)c2cc[nH+]cc2F)CC1 ZINC000641378560 362383232 /nfs/dbraw/zinc/38/32/32/362383232.db2.gz AXEATOYPHBPGLB-UHFFFAOYSA-N 1 2 238.306 2.615 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1ncc[nH]1 ZINC000600619736 344340627 /nfs/dbraw/zinc/34/06/27/344340627.db2.gz BSXAILZGHOCNMR-NSHDSACASA-N 1 2 215.300 2.603 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600619736 344340629 /nfs/dbraw/zinc/34/06/29/344340629.db2.gz BSXAILZGHOCNMR-NSHDSACASA-N 1 2 215.300 2.603 20 0 BFADLO Cc1cc(C)c(C[N@H+](C)Cc2ncc[nH]2)c(C)c1 ZINC000600629646 344345412 /nfs/dbraw/zinc/34/54/12/344345412.db2.gz GKFBMILPYMNMHR-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cc(C)c(C[N@@H+](C)Cc2ncc[nH]2)c(C)c1 ZINC000600629646 344345414 /nfs/dbraw/zinc/34/54/14/344345414.db2.gz GKFBMILPYMNMHR-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000600630390 344345603 /nfs/dbraw/zinc/34/56/03/344345603.db2.gz QAPDGHZGKSBDLN-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600630390 344345604 /nfs/dbraw/zinc/34/56/04/344345604.db2.gz QAPDGHZGKSBDLN-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000600630390 344345605 /nfs/dbraw/zinc/34/56/05/344345605.db2.gz QAPDGHZGKSBDLN-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO Cc1ccoc1CC(=O)Nc1c(C)cc[nH+]c1C ZINC000622866362 344435253 /nfs/dbraw/zinc/43/52/53/344435253.db2.gz BOYGMKIHBHFKHX-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC000577291175 344517115 /nfs/dbraw/zinc/51/71/15/344517115.db2.gz BXZFYNBEAHOWMP-STQMWFEESA-N 1 2 249.358 2.709 20 0 BFADLO CC(C)c1nc(N(C)Cc2cscn2)cc[nH+]1 ZINC000110280682 344547947 /nfs/dbraw/zinc/54/79/47/344547947.db2.gz RICVIPLORLFZBA-UHFFFAOYSA-N 1 2 248.355 2.693 20 0 BFADLO COCCCCCNc1cc[nH+]c(C(C)C)n1 ZINC000110382421 344553327 /nfs/dbraw/zinc/55/33/27/344553327.db2.gz JVIBUBBPJQCKBH-UHFFFAOYSA-N 1 2 237.347 2.829 20 0 BFADLO COC(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045008370 344554999 /nfs/dbraw/zinc/55/49/99/344554999.db2.gz NDTKADGQDOJYHY-VIFPVBQESA-N 1 2 241.718 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045008370 344555001 /nfs/dbraw/zinc/55/50/01/344555001.db2.gz NDTKADGQDOJYHY-VIFPVBQESA-N 1 2 241.718 2.506 20 0 BFADLO CC1(C)CC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641474192 362442557 /nfs/dbraw/zinc/44/25/57/362442557.db2.gz KFJHPWXFBVVTRD-NSHDSACASA-N 1 2 220.316 2.565 20 0 BFADLO CCC1(CNc2cc(CO)cc[nH+]2)CCC1 ZINC000641425244 362410195 /nfs/dbraw/zinc/41/01/95/362410195.db2.gz HVTXMBHVLSCYKX-UHFFFAOYSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)[C@@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641429170 362412503 /nfs/dbraw/zinc/41/25/03/362412503.db2.gz SXKMCGOSKQYKBO-SNVBAGLBSA-N 1 2 208.280 2.703 20 0 BFADLO CCC[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641433959 362415201 /nfs/dbraw/zinc/41/52/01/362415201.db2.gz PODBCPWZKNFROI-LBPRGKRZSA-N 1 2 234.343 2.590 20 0 BFADLO CC[C@@H]1CCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641434075 362415347 /nfs/dbraw/zinc/41/53/47/362415347.db2.gz YORMXQORLHMPLI-NEPJUHHUSA-N 1 2 220.316 2.565 20 0 BFADLO CO[C@@]1(C)CCCN(c2cc[nH+]cc2F)CC1 ZINC000641545583 362492483 /nfs/dbraw/zinc/49/24/83/362492483.db2.gz FLFOCSKOVDNKPM-ZDUSSCGKSA-N 1 2 238.306 2.616 20 0 BFADLO CCn1ccc(CN(C)c2cc[nH+]cc2F)c1 ZINC000641528752 362480887 /nfs/dbraw/zinc/48/08/87/362480887.db2.gz OYDQIKGGHUBVQZ-UHFFFAOYSA-N 1 2 233.290 2.679 20 0 BFADLO CC1(C)CCN(c2cc[nH+]cc2F)CCS1 ZINC000641542900 362489883 /nfs/dbraw/zinc/48/98/83/362489883.db2.gz MXCRXYRIFMCAFP-UHFFFAOYSA-N 1 2 240.347 2.943 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1conc1C)C2 ZINC000626023552 344678494 /nfs/dbraw/zinc/67/84/94/344678494.db2.gz KTMQKSSUTBJTKI-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1conc1C)C2 ZINC000626023552 344678496 /nfs/dbraw/zinc/67/84/96/344678496.db2.gz KTMQKSSUTBJTKI-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO C[NH2+]Cc1noc([C@H]2CC[C@H](C(C)C)CC2)n1 ZINC000472164758 530013017 /nfs/dbraw/zinc/01/30/17/530013017.db2.gz YBXPMQXWBMNUGI-XYPYZODXSA-N 1 2 237.347 2.719 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccncc1F ZINC000625981296 344647908 /nfs/dbraw/zinc/64/79/08/344647908.db2.gz NUGFRKMWHWFOMG-VIFPVBQESA-N 1 2 244.260 2.840 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccncc1F ZINC000625981296 344647909 /nfs/dbraw/zinc/64/79/09/344647909.db2.gz NUGFRKMWHWFOMG-VIFPVBQESA-N 1 2 244.260 2.840 20 0 BFADLO Cn1c[nH+]c(CSC2CCCCC2)c1 ZINC000603300254 349915713 /nfs/dbraw/zinc/91/57/13/349915713.db2.gz ORKWOVXITHVMBF-UHFFFAOYSA-N 1 2 210.346 2.986 20 0 BFADLO CC(C)(C)[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641548051 362494803 /nfs/dbraw/zinc/49/48/03/362494803.db2.gz WDFUSMLUVOKNIR-CYBMUJFWSA-N 1 2 248.370 2.836 20 0 BFADLO c1cnn([C@H]2CCCC[C@@H]2Nc2cccc[nH+]2)c1 ZINC000074775894 344759009 /nfs/dbraw/zinc/75/90/09/344759009.db2.gz FXDCWOXXJQSFEM-STQMWFEESA-N 1 2 242.326 2.874 20 0 BFADLO c1cnn([C@H]2CCCC[C@H]2Nc2cccc[nH+]2)c1 ZINC000074775893 344759054 /nfs/dbraw/zinc/75/90/54/344759054.db2.gz FXDCWOXXJQSFEM-OLZOCXBDSA-N 1 2 242.326 2.874 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccccc2)o1 ZINC000075616124 344781007 /nfs/dbraw/zinc/78/10/07/344781007.db2.gz YPBKPIYXXGWLTD-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000075616124 344781009 /nfs/dbraw/zinc/78/10/09/344781009.db2.gz YPBKPIYXXGWLTD-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCS[C@H]1CCC[C@H]1Nc1cc[nH+]cc1F ZINC000603303304 349916739 /nfs/dbraw/zinc/91/67/39/349916739.db2.gz IDGNSRQYRQBHHE-NEPJUHHUSA-N 1 2 240.347 2.729 20 0 BFADLO CC(C)(C)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552579 344779139 /nfs/dbraw/zinc/77/91/39/344779139.db2.gz FMWXWOHLPPWIKV-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccccn2)C(C)C)o1 ZINC000075642859 344782354 /nfs/dbraw/zinc/78/23/54/344782354.db2.gz QYDOUDGIFKVOAR-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccccn2)C(C)C)o1 ZINC000075642859 344782356 /nfs/dbraw/zinc/78/23/56/344782356.db2.gz QYDOUDGIFKVOAR-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO CC(C)CC[C@](C)(O)CNc1cccc[nH+]1 ZINC000077235290 344819711 /nfs/dbraw/zinc/81/97/11/344819711.db2.gz OQCKCJYOAAJSIQ-ZDUSSCGKSA-N 1 2 222.332 2.681 20 0 BFADLO Cc1nc(NCCOC2CCCCCC2)cc[nH+]1 ZINC000078291911 344841788 /nfs/dbraw/zinc/84/17/88/344841788.db2.gz LVGFPYKKDBUJEP-UHFFFAOYSA-N 1 2 249.358 2.936 20 0 BFADLO CCN(c1cc[nH+]c(C)n1)[C@H](C)c1cccnc1 ZINC000078264014 344838732 /nfs/dbraw/zinc/83/87/32/344838732.db2.gz OZHHNJDOMGNIPJ-LLVKDONJSA-N 1 2 242.326 2.768 20 0 BFADLO Cc1nc(N[C@H](CCO)C2CCCCC2)cc[nH+]1 ZINC000078264760 344840459 /nfs/dbraw/zinc/84/04/59/344840459.db2.gz PVGJNBHVIKRCRP-CYBMUJFWSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCCc3sccc3C2)n1 ZINC000628169335 344883759 /nfs/dbraw/zinc/88/37/59/344883759.db2.gz ZZAZPKOUJQXGDU-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCCc3sccc3C2)n1 ZINC000628169335 344883760 /nfs/dbraw/zinc/88/37/60/344883760.db2.gz ZZAZPKOUJQXGDU-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO CC1(C)C[C@H]1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120239924 344883794 /nfs/dbraw/zinc/88/37/94/344883794.db2.gz XIJHZSPXVKFHLJ-QWRGUYRKSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(C)s2)n1 ZINC000628163108 344861926 /nfs/dbraw/zinc/86/19/26/344861926.db2.gz PYRCNFLISJSVQS-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(C)s2)n1 ZINC000628163108 344861929 /nfs/dbraw/zinc/86/19/29/344861929.db2.gz PYRCNFLISJSVQS-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CC[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583390296 344873786 /nfs/dbraw/zinc/87/37/86/344873786.db2.gz MFAASTDUMHUVFI-JTQLQIEISA-N 1 2 245.326 2.513 20 0 BFADLO Cc1cc(C[NH2+][C@H]2COc3ccc(C)cc32)on1 ZINC000631089458 344889575 /nfs/dbraw/zinc/88/95/75/344889575.db2.gz LXZGREIUSKERDZ-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000113310698 187294016 /nfs/dbraw/zinc/29/40/16/187294016.db2.gz HPJQCZPPACHACW-HNNXBMFYSA-N 1 2 241.338 2.804 20 0 BFADLO FCCC1CCN(c2cccc[nH+]2)CC1 ZINC000631447566 344903857 /nfs/dbraw/zinc/90/38/57/344903857.db2.gz BAWNNDNWUUKFQG-UHFFFAOYSA-N 1 2 208.280 2.658 20 0 BFADLO Cc1[nH]c(CN2CCc3ccsc3C2)[nH+]c1C ZINC000628177222 344905937 /nfs/dbraw/zinc/90/59/37/344905937.db2.gz PMOOEFKEXMHTDT-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000070007366 178771324 /nfs/dbraw/zinc/77/13/24/178771324.db2.gz PNSBSFNPMVKGBQ-NSHDSACASA-N 1 2 215.300 2.902 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(C)ccc2F)on1 ZINC000116916500 187294518 /nfs/dbraw/zinc/29/45/18/187294518.db2.gz PWKJUMUBMJBAHF-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1c[nH]c(C[N@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC000628184062 344930275 /nfs/dbraw/zinc/93/02/75/344930275.db2.gz YFLGJBHIXWPHHQ-GFCCVEGCSA-N 1 2 241.338 2.665 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC000628184062 344930277 /nfs/dbraw/zinc/93/02/77/344930277.db2.gz YFLGJBHIXWPHHQ-GFCCVEGCSA-N 1 2 241.338 2.665 20 0 BFADLO CO[C@@H]1CCC[C@@H](Nc2ccc[nH+]c2C)C1 ZINC000234781449 537874215 /nfs/dbraw/zinc/87/42/15/537874215.db2.gz QJBGBNMSWHCWLZ-VXGBXAGGSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CCC[C@@H]2C)cc[nH+]1 ZINC000448961922 201776786 /nfs/dbraw/zinc/77/67/86/201776786.db2.gz NWFVZCJWJKDVRU-HZMBPMFUSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cc(NCCC[C@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000154459114 345035624 /nfs/dbraw/zinc/03/56/24/345035624.db2.gz ZDHDDUQPMDAOFV-CHWSQXEVSA-N 1 2 249.358 2.528 20 0 BFADLO CC[C@@](C)([NH2+]CC[C@H]1CCCO1)C(F)(F)F ZINC000310030438 323083057 /nfs/dbraw/zinc/08/30/57/323083057.db2.gz QWRDFUAILCLPLO-NXEZZACHSA-N 1 2 239.281 2.876 20 0 BFADLO OCc1cc[nH+]c(NC(C2CCC2)C2CCC2)c1 ZINC000641595640 362536881 /nfs/dbraw/zinc/53/68/81/362536881.db2.gz IGJNXBCTCNYBLY-UHFFFAOYSA-N 1 2 246.354 2.955 20 0 BFADLO Fc1c[nH+]ccc1N1CCC(C2CC2)CC1 ZINC000641605390 362542500 /nfs/dbraw/zinc/54/25/00/362542500.db2.gz AMSLGISSRYJMAB-UHFFFAOYSA-N 1 2 220.291 2.847 20 0 BFADLO OCc1cc[nH+]c(N2CC[C@H](C3CCCC3)C2)c1 ZINC000641641345 362571027 /nfs/dbraw/zinc/57/10/27/362571027.db2.gz VYMICDQYCLOBIV-AWEZNQCLSA-N 1 2 246.354 2.590 20 0 BFADLO OCc1cc[nH+]c(NCC2CCC(F)CC2)c1 ZINC000641648166 362574714 /nfs/dbraw/zinc/57/47/14/362574714.db2.gz GECFJPQEAMLFNX-UHFFFAOYSA-N 1 2 238.306 2.514 20 0 BFADLO OCc1cc[nH+]c(NC[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000641633483 362561471 /nfs/dbraw/zinc/56/14/71/362561471.db2.gz RNLISJVGVUQWRS-ZIAGYGMSSA-N 1 2 246.354 2.812 20 0 BFADLO Cc1csc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641635053 362564497 /nfs/dbraw/zinc/56/44/97/362564497.db2.gz MDFOHTQTYAVVFH-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cn1c[nH+]c(CSCCC(F)(F)F)c1 ZINC000603327383 349924081 /nfs/dbraw/zinc/92/40/81/349924081.db2.gz CKUNUUNWYYFRBJ-UHFFFAOYSA-N 1 2 224.251 2.606 20 0 BFADLO CCN(CC)c1ccc(NCc2ccon2)c[nH+]1 ZINC000634971902 345150218 /nfs/dbraw/zinc/15/02/18/345150218.db2.gz IUISZUMSYBTXLF-UHFFFAOYSA-N 1 2 246.314 2.528 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCCC2(CC2)CC1 ZINC000626113698 345306648 /nfs/dbraw/zinc/30/66/48/345306648.db2.gz BVUYNSHJSCTURM-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCCC2(CC2)CC1 ZINC000626113698 345306651 /nfs/dbraw/zinc/30/66/51/345306651.db2.gz BVUYNSHJSCTURM-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO CC[C@@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000080607280 345349608 /nfs/dbraw/zinc/34/96/08/345349608.db2.gz VHPYKHAPJOFNNS-GFCCVEGCSA-N 1 2 220.316 2.699 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC(C)=C(C)C ZINC000635459530 345379555 /nfs/dbraw/zinc/37/95/55/345379555.db2.gz YFBAYLXXEWOZMG-UHFFFAOYSA-N 1 2 234.299 2.775 20 0 BFADLO Fc1cccc(C[NH2+]Cc2cscn2)c1F ZINC000082563514 345417361 /nfs/dbraw/zinc/41/73/61/345417361.db2.gz YBKZPNXCKBOEDQ-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO CCc1cnc(C[NH2+][C@@H](C)c2ccccn2)s1 ZINC000159249750 345419972 /nfs/dbraw/zinc/41/99/72/345419972.db2.gz LONGSECJZZKJMR-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)C1(F)F ZINC000641675744 362595647 /nfs/dbraw/zinc/59/56/47/362595647.db2.gz CKSJJEXPGKAACH-IUCAKERBSA-N 1 2 244.260 2.948 20 0 BFADLO CCC[C@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171164564 187304541 /nfs/dbraw/zinc/30/45/41/187304541.db2.gz QHGZWWYAPGEQOQ-LBPRGKRZSA-N 1 2 245.326 2.643 20 0 BFADLO Cc1cc(CNc2cc[nH+]c3ccncc23)on1 ZINC000085658798 345528659 /nfs/dbraw/zinc/52/86/59/345528659.db2.gz XJDODDYXONQLML-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO CSC[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085687576 345528708 /nfs/dbraw/zinc/52/87/08/345528708.db2.gz RBNGGIKXPQMJAJ-SECBINFHSA-N 1 2 233.340 2.793 20 0 BFADLO C[C@H](c1ccccn1)N(C)c1cccc[nH+]1 ZINC000091475596 345605470 /nfs/dbraw/zinc/60/54/70/345605470.db2.gz IKNUSFZQIPZKBH-LLVKDONJSA-N 1 2 213.284 2.674 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000092486749 345624901 /nfs/dbraw/zinc/62/49/01/345624901.db2.gz UCMSHKNGFSCCMS-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000092486749 345624904 /nfs/dbraw/zinc/62/49/04/345624904.db2.gz UCMSHKNGFSCCMS-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO Fc1c[nH+]ccc1N1CCCC2(CC2)CC1 ZINC000641679236 362600883 /nfs/dbraw/zinc/60/08/83/362600883.db2.gz LBCLZLKNZCGKQS-UHFFFAOYSA-N 1 2 220.291 2.991 20 0 BFADLO CC(C)COC[C@H]([NH2+]CCF)c1ccco1 ZINC000309654323 187309757 /nfs/dbraw/zinc/30/97/57/187309757.db2.gz YPFJHBKFQPRWBX-NSHDSACASA-N 1 2 229.295 2.552 20 0 BFADLO C/C(=C/c1ccccc1)C[NH2+]CC(F)F ZINC000290001003 187360193 /nfs/dbraw/zinc/36/01/93/187360193.db2.gz FTDNPUGSMIOKQU-YFHOEESVSA-N 1 2 211.255 2.945 20 0 BFADLO Cc1cc(NC(=O)C2CCC=CCC2)c(C)c[nH+]1 ZINC000635719014 346028262 /nfs/dbraw/zinc/02/82/62/346028262.db2.gz QREHAKLJRIUXKW-UHFFFAOYSA-N 1 2 244.338 2.805 20 0 BFADLO CC[C@@H](NC(=O)C1CCC=CCC1)c1[nH]cc[nH+]1 ZINC000635808464 346073352 /nfs/dbraw/zinc/07/33/52/346073352.db2.gz UYXOMWHVFCHCBH-GFCCVEGCSA-N 1 2 247.342 2.723 20 0 BFADLO C/C=C(\CC)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000190237175 187313864 /nfs/dbraw/zinc/31/38/64/187313864.db2.gz OXKZCGKKRVPWQB-NDZKXSSTSA-N 1 2 247.342 2.820 20 0 BFADLO FC(F)C[NH2+]C1(c2ccccc2)CCC1 ZINC000171990290 346085089 /nfs/dbraw/zinc/08/50/89/346085089.db2.gz PVTMPSBCDVXUIW-UHFFFAOYSA-N 1 2 211.255 2.921 20 0 BFADLO OC[C@H](CC1CCCCC1)Nc1cccc[nH+]1 ZINC000419033956 192096049 /nfs/dbraw/zinc/09/60/49/192096049.db2.gz XYZWDYRCEIMZSR-ZDUSSCGKSA-N 1 2 234.343 2.825 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)[C@H](C)[C@@H]2C)[nH+]1 ZINC000419005251 192097289 /nfs/dbraw/zinc/09/72/89/192097289.db2.gz GBFDGIIXTTYIJV-GUBZILKMSA-N 1 2 244.342 2.747 20 0 BFADLO CCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635948629 346120640 /nfs/dbraw/zinc/12/06/40/346120640.db2.gz XFLSGYSOIUFBPC-IJLUTSLNSA-N 1 2 249.358 2.550 20 0 BFADLO CCCC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635948629 346120641 /nfs/dbraw/zinc/12/06/41/346120641.db2.gz XFLSGYSOIUFBPC-IJLUTSLNSA-N 1 2 249.358 2.550 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)[C@H](C)[C@H]2C)[nH+]1 ZINC000419005256 192097560 /nfs/dbraw/zinc/09/75/60/192097560.db2.gz GBFDGIIXTTYIJV-LPEHRKFASA-N 1 2 244.342 2.747 20 0 BFADLO Cc1nc(C)c(CNc2c[nH+]cc(C)c2)o1 ZINC000628230130 346179368 /nfs/dbraw/zinc/17/93/68/346179368.db2.gz UHHPUWURQRVQQH-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccccn1 ZINC000628238330 346195316 /nfs/dbraw/zinc/19/53/16/346195316.db2.gz UIPCTMKQWDPANR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccccn1 ZINC000628238330 346195320 /nfs/dbraw/zinc/19/53/20/346195320.db2.gz UIPCTMKQWDPANR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1ncc(C[NH2+]Cc2ccc(C)cc2F)o1 ZINC000631153481 346228118 /nfs/dbraw/zinc/22/81/18/346228118.db2.gz XVJOXISEHZVRBH-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO Cc1ncc(C[NH2+]C(C)(C)c2c(C)noc2C)o1 ZINC000628275754 346284387 /nfs/dbraw/zinc/28/43/87/346284387.db2.gz BITDXGJEOBBWOZ-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Cn1cc[nH+]c1CN1CCCc2c(F)cccc21 ZINC000531139568 346262487 /nfs/dbraw/zinc/26/24/87/346262487.db2.gz KSSNIBUXXDBBEI-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO CSc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000309084887 349947575 /nfs/dbraw/zinc/94/75/75/349947575.db2.gz WAINBUNWDWFTNL-UHFFFAOYSA-N 1 2 219.313 2.744 20 0 BFADLO Cc1ncc(C[N@H+](Cc2cccnc2)C2CC2)o1 ZINC000628280972 346292476 /nfs/dbraw/zinc/29/24/76/346292476.db2.gz RKNNWAVXAJDGJH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2cccnc2)C2CC2)o1 ZINC000628280972 346292480 /nfs/dbraw/zinc/29/24/80/346292480.db2.gz RKNNWAVXAJDGJH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)[C@H](C)C2)[nH+]c1C ZINC000628285567 346296991 /nfs/dbraw/zinc/29/69/91/346296991.db2.gz YWQKESSCWHCHKW-MRVPVSSYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)[nH]c1C ZINC000628285567 346296992 /nfs/dbraw/zinc/29/69/92/346296992.db2.gz YWQKESSCWHCHKW-MRVPVSSYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@H](C)C2)[nH]c1C ZINC000628285567 346296995 /nfs/dbraw/zinc/29/69/95/346296995.db2.gz YWQKESSCWHCHKW-MRVPVSSYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1nccn1C ZINC000271044756 179033082 /nfs/dbraw/zinc/03/30/82/179033082.db2.gz UZCURAIUTYVXKC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1nccn1C ZINC000271044756 179033085 /nfs/dbraw/zinc/03/30/85/179033085.db2.gz UZCURAIUTYVXKC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO c1[nH]cc(N[C@H]2CCCC[C@@H]2C2CC2)[nH+]1 ZINC000309087412 349950859 /nfs/dbraw/zinc/95/08/59/349950859.db2.gz ZNRIYLOCBYMMHF-MNOVXSKESA-N 1 2 205.305 2.790 20 0 BFADLO Cc1cccc(CCCNc2nccnc2C)[nH+]1 ZINC000291133282 179056201 /nfs/dbraw/zinc/05/62/01/179056201.db2.gz NHOAOGXNVFEALN-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1nnc(NCCCc2cccc(C)[nH+]2)s1 ZINC000286578219 179056213 /nfs/dbraw/zinc/05/62/13/179056213.db2.gz MVJLTEZWQVHUIW-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO CSCCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000601140095 346344366 /nfs/dbraw/zinc/34/43/66/346344366.db2.gz RUEWFTIRXJXIMG-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CCC1CCC(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000352437085 187367752 /nfs/dbraw/zinc/36/77/52/187367752.db2.gz CNGFBIBDKVQLGL-UHFFFAOYSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2cccc(C)c2)s1 ZINC000271442232 179069234 /nfs/dbraw/zinc/06/92/34/179069234.db2.gz QFEGLIZKVRMNHY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2cccc(C)c2)s1 ZINC000271442232 179069236 /nfs/dbraw/zinc/06/92/36/179069236.db2.gz QFEGLIZKVRMNHY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CC(C)C)C1 ZINC000574926990 346415852 /nfs/dbraw/zinc/41/58/52/346415852.db2.gz TXEYDWQVCYLAQY-ZDUSSCGKSA-N 1 2 233.359 2.966 20 0 BFADLO CC(C)n1ccc(C[C@@H](C)[NH2+][C@H](C)C(F)F)n1 ZINC000641792489 362727950 /nfs/dbraw/zinc/72/79/50/362727950.db2.gz WMAIFXOFQOSKPH-NXEZZACHSA-N 1 2 245.317 2.638 20 0 BFADLO CC(C)N(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CCC1 ZINC000575049601 346432796 /nfs/dbraw/zinc/43/27/96/346432796.db2.gz HVNIVPVDSDNTPP-GFCCVEGCSA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)N(C(=O)C[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC000575049602 346432804 /nfs/dbraw/zinc/43/28/04/346432804.db2.gz HVNIVPVDSDNTPP-LBPRGKRZSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2ncccc21)C(F)F ZINC000641791022 362730445 /nfs/dbraw/zinc/73/04/45/362730445.db2.gz BIJBFJZLQPVXDU-KCJUWKMLSA-N 1 2 226.270 2.702 20 0 BFADLO COCc1csc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000641794830 362738295 /nfs/dbraw/zinc/73/82/95/362738295.db2.gz ZORBZQONSPXIEH-ZETCQYMHSA-N 1 2 235.299 2.638 20 0 BFADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1O ZINC000641791494 362731430 /nfs/dbraw/zinc/73/14/30/362731430.db2.gz JIRDMOUWGPTRLT-SFYZADRCSA-N 1 2 245.269 2.705 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000176547957 365816315 /nfs/dbraw/zinc/81/63/15/365816315.db2.gz ZVXIPOHQUWQMNM-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Fc1ccc(C[NH2+]CC(F)F)cc1Cl ZINC000053156822 346560432 /nfs/dbraw/zinc/56/04/32/346560432.db2.gz RRSCPMUQCQPILY-UHFFFAOYSA-N 1 2 223.625 2.834 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679228602 488322824 /nfs/dbraw/zinc/32/28/24/488322824.db2.gz YAAABDRXNRQSGV-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000308095213 346650794 /nfs/dbraw/zinc/65/07/94/346650794.db2.gz ZIZVBXZUUUNCSE-MNOVXSKESA-N 1 2 237.347 2.659 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccnc2C)cs1 ZINC000107715980 346661264 /nfs/dbraw/zinc/66/12/64/346661264.db2.gz XZTWECPPAJZPSW-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2C)C(=O)OC ZINC000577144210 365835731 /nfs/dbraw/zinc/83/57/31/365835731.db2.gz LGBZQYQRKNVQLK-KGLIPLIRSA-N 1 2 247.338 2.524 20 0 BFADLO C(c1nnc(C2CC2)s1)[NH+]1C2CCC1CC2 ZINC000571273607 323140150 /nfs/dbraw/zinc/14/01/50/323140150.db2.gz PFPFRCDGDZSSBM-UHFFFAOYSA-N 1 2 235.356 2.542 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC[C@@H](C)O1 ZINC000188591462 347285089 /nfs/dbraw/zinc/28/50/89/347285089.db2.gz NJUJKNGEVCZFKH-ZJUUUORDSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[C@@H](C)O1 ZINC000188591462 347285092 /nfs/dbraw/zinc/28/50/92/347285092.db2.gz NJUJKNGEVCZFKH-ZJUUUORDSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000679358316 488345052 /nfs/dbraw/zinc/34/50/52/488345052.db2.gz GLMLCDCUVJGDCU-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cn1 ZINC000679358316 488345053 /nfs/dbraw/zinc/34/50/53/488345053.db2.gz GLMLCDCUVJGDCU-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1cccc2c1OC[C@H](Nc1cccc[nH+]1)C2 ZINC000377989151 179221174 /nfs/dbraw/zinc/22/11/74/179221174.db2.gz OIKFNZXSEZPURB-CYBMUJFWSA-N 1 2 240.306 2.806 20 0 BFADLO CCCC[C@H](CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923585 347453244 /nfs/dbraw/zinc/45/32/44/347453244.db2.gz NBHRFEWTLAZENF-NSHDSACASA-N 1 2 237.347 2.585 20 0 BFADLO CCCC[C@H](CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923585 347453247 /nfs/dbraw/zinc/45/32/47/347453247.db2.gz NBHRFEWTLAZENF-NSHDSACASA-N 1 2 237.347 2.585 20 0 BFADLO CCCC[C@@H](CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616923584 347454009 /nfs/dbraw/zinc/45/40/09/347454009.db2.gz NBHRFEWTLAZENF-LLVKDONJSA-N 1 2 237.347 2.585 20 0 BFADLO CCCC[C@@H](CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616923584 347454013 /nfs/dbraw/zinc/45/40/13/347454013.db2.gz NBHRFEWTLAZENF-LLVKDONJSA-N 1 2 237.347 2.585 20 0 BFADLO C[C@@H](CC1CCCC1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616925293 347456180 /nfs/dbraw/zinc/45/61/80/347456180.db2.gz BZRDHZQWYHCFOZ-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H](CC1CCCC1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616925293 347456183 /nfs/dbraw/zinc/45/61/83/347456183.db2.gz BZRDHZQWYHCFOZ-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928945 347496126 /nfs/dbraw/zinc/49/61/26/347496126.db2.gz PWEPYZXLBPIXPO-YPMHNXCESA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928945 347496127 /nfs/dbraw/zinc/49/61/27/347496127.db2.gz PWEPYZXLBPIXPO-YPMHNXCESA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929321 347497265 /nfs/dbraw/zinc/49/72/65/347497265.db2.gz YFKRGLPZTZHDDW-WCQYABFASA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929321 347497268 /nfs/dbraw/zinc/49/72/68/347497268.db2.gz YFKRGLPZTZHDDW-WCQYABFASA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929320 347497292 /nfs/dbraw/zinc/49/72/92/347497292.db2.gz YFKRGLPZTZHDDW-DGCLKSJQSA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929320 347497297 /nfs/dbraw/zinc/49/72/97/347497297.db2.gz YFKRGLPZTZHDDW-DGCLKSJQSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1ccccc1C(C)(C)[NH2+]Cc1csnn1 ZINC000293583852 179254875 /nfs/dbraw/zinc/25/48/75/179254875.db2.gz HWRCGAIETHHOBT-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176755134 365900032 /nfs/dbraw/zinc/90/00/32/365900032.db2.gz FEECKBRBZJYKEE-JTQLQIEISA-N 1 2 235.331 2.961 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000035054082 358453425 /nfs/dbraw/zinc/45/34/25/358453425.db2.gz NIYACAGOCOYGPA-AAEUAGOBSA-N 1 2 235.327 2.535 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CC[C@@H]1SC ZINC000593680427 347932330 /nfs/dbraw/zinc/93/23/30/347932330.db2.gz VULRYTZPMGAVLN-JQWIXIFHSA-N 1 2 222.357 2.950 20 0 BFADLO CC[C@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000577388665 365942752 /nfs/dbraw/zinc/94/27/52/365942752.db2.gz MVTRAZAGCIMSLD-VIFPVBQESA-N 1 2 207.321 2.576 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ncccn1 ZINC000361700033 179317133 /nfs/dbraw/zinc/31/71/33/179317133.db2.gz SWPPUCMJXCATIO-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ncccn1 ZINC000361700033 179317134 /nfs/dbraw/zinc/31/71/34/179317134.db2.gz SWPPUCMJXCATIO-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO COc1ccc(N[C@@H](C)CSCCF)[nH+]c1 ZINC000595030564 348174686 /nfs/dbraw/zinc/17/46/86/348174686.db2.gz RXVPQZCTOKEZFC-VIFPVBQESA-N 1 2 244.335 2.593 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)CSCCF ZINC000595030775 348174721 /nfs/dbraw/zinc/17/47/21/348174721.db2.gz VQYDNWIYENCXCQ-SECBINFHSA-N 1 2 228.336 2.893 20 0 BFADLO CC/C=C\C[NH2+][C@H](CC(C)C)C(=O)OCC ZINC000419260799 192116417 /nfs/dbraw/zinc/11/64/17/192116417.db2.gz PCCZZMJRMIIVFU-QDZRJHCZSA-N 1 2 227.348 2.520 20 0 BFADLO CC[C@H](C[N@@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000419286236 192116512 /nfs/dbraw/zinc/11/65/12/192116512.db2.gz QJFPMUWSIDBZNK-OAHLLOKOSA-N 1 2 247.338 2.630 20 0 BFADLO CC[C@H](C[N@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000419286236 192116514 /nfs/dbraw/zinc/11/65/14/192116514.db2.gz QJFPMUWSIDBZNK-OAHLLOKOSA-N 1 2 247.338 2.630 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1noc2c1CCCC2 ZINC000595556978 348279632 /nfs/dbraw/zinc/27/96/32/348279632.db2.gz RRCZYWIQWIBZFG-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1noc2c1CCCC2 ZINC000595556978 348279635 /nfs/dbraw/zinc/27/96/35/348279635.db2.gz RRCZYWIQWIBZFG-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO CC[C@@H](C[N@@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000419286235 192116766 /nfs/dbraw/zinc/11/67/66/192116766.db2.gz QJFPMUWSIDBZNK-HNNXBMFYSA-N 1 2 247.338 2.630 20 0 BFADLO CC[C@@H](C[N@H+]1Cc2ccc(C(C)=O)cc2C1)OC ZINC000419286235 192116768 /nfs/dbraw/zinc/11/67/68/192116768.db2.gz QJFPMUWSIDBZNK-HNNXBMFYSA-N 1 2 247.338 2.630 20 0 BFADLO Cc1cccnc1CNc1cc[nH+]c(C(C)C)n1 ZINC000110542421 179383765 /nfs/dbraw/zinc/38/37/65/179383765.db2.gz JOCAAFVNEJQATL-UHFFFAOYSA-N 1 2 242.326 2.916 20 0 BFADLO Cc1cccnc1[C@H]([NH2+]Cc1cocn1)C(C)C ZINC000192314074 179399530 /nfs/dbraw/zinc/39/95/30/179399530.db2.gz KVKUUVZUMBMTAH-CYBMUJFWSA-N 1 2 245.326 2.865 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)C2CCCCC2)c2[nH+]ccn21 ZINC000334744453 133746357 /nfs/dbraw/zinc/74/63/57/133746357.db2.gz RUENRZDTXFRTDX-CMPLNLGQSA-N 1 2 247.342 2.585 20 0 BFADLO CO[C@@H](CSCCn1cc[nH+]c1)CC(C)C ZINC000419628637 192144509 /nfs/dbraw/zinc/14/45/09/192144509.db2.gz KFEYIBGEFOFHBV-GFCCVEGCSA-N 1 2 242.388 2.677 20 0 BFADLO c1cn(CCSCC[C@H]2CCCCO2)c[nH+]1 ZINC000596389141 348530845 /nfs/dbraw/zinc/53/08/45/348530845.db2.gz FMOBBHYQSWDYMU-GFCCVEGCSA-N 1 2 240.372 2.576 20 0 BFADLO c1cn(CCSCc2cc(C3CC3)no2)c[nH+]1 ZINC000596404983 348534850 /nfs/dbraw/zinc/53/48/50/348534850.db2.gz DVJHFWTTYIDPKP-UHFFFAOYSA-N 1 2 249.339 2.682 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000535841896 323193407 /nfs/dbraw/zinc/19/34/07/323193407.db2.gz VFHXXGKIWPKLBB-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000535841896 323193408 /nfs/dbraw/zinc/19/34/08/323193408.db2.gz VFHXXGKIWPKLBB-GFCCVEGCSA-N 1 2 240.347 2.954 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@H]3CC34CC4)cc2[nH+]1 ZINC000421742211 192378461 /nfs/dbraw/zinc/37/84/61/192378461.db2.gz REIHWCJGOUGLCT-SNVBAGLBSA-N 1 2 241.294 2.610 20 0 BFADLO CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)o1 ZINC000449570783 201974638 /nfs/dbraw/zinc/97/46/38/201974638.db2.gz KKDDYVLCAJFSHK-ZWNOBZJWSA-N 1 2 245.326 2.834 20 0 BFADLO CC[N@H+](CCCCC(=O)OC)c1ccccc1 ZINC000599314121 349146104 /nfs/dbraw/zinc/14/61/04/349146104.db2.gz VVDINZUTOMRHGB-UHFFFAOYSA-N 1 2 235.327 2.856 20 0 BFADLO CC[N@@H+](CCCCC(=O)OC)c1ccccc1 ZINC000599314121 349146106 /nfs/dbraw/zinc/14/61/06/349146106.db2.gz VVDINZUTOMRHGB-UHFFFAOYSA-N 1 2 235.327 2.856 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(=O)OC)c1cc(C)ccc1C ZINC000599641187 349238762 /nfs/dbraw/zinc/23/87/62/349238762.db2.gz QVFFVZLIFVCIAN-TZMCWYRMSA-N 1 2 249.354 2.906 20 0 BFADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1C=CCCC1 ZINC000599658044 349235388 /nfs/dbraw/zinc/23/53/88/349235388.db2.gz COONPHKVLFZKEW-NSHDSACASA-N 1 2 239.359 2.805 20 0 BFADLO CC[C@@H](F)COc1ccccc1-n1cc[nH+]c1 ZINC000583478924 349305124 /nfs/dbraw/zinc/30/51/24/349305124.db2.gz IFXXVDKXJRRPBL-LLVKDONJSA-N 1 2 234.274 2.999 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1CC=CCC1 ZINC000603784886 350032696 /nfs/dbraw/zinc/03/26/96/350032696.db2.gz BFYMTMWUIMLRGY-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO O=C(C[C@H]1C=CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000603786128 350025652 /nfs/dbraw/zinc/02/56/52/350025652.db2.gz PZUHSRJAFZVTDI-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO CCc1nc(C)c(C[NH2+]Cc2ccc(C)cn2)o1 ZINC000311811242 350025813 /nfs/dbraw/zinc/02/58/13/350025813.db2.gz WNUZGYXVUWQWCF-UHFFFAOYSA-N 1 2 245.326 2.539 20 0 BFADLO FC(F)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000603938985 350057148 /nfs/dbraw/zinc/05/71/48/350057148.db2.gz WMSORTSDPRSGCD-UHFFFAOYSA-N 1 2 241.281 2.547 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)C[C@H]2C)[nH+]1 ZINC000336366068 180003182 /nfs/dbraw/zinc/00/31/82/180003182.db2.gz OJTOHKKGHKGEAY-DTWKUNHWSA-N 1 2 230.315 2.501 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2CCCC2)[nH+]1 ZINC000027900700 180016503 /nfs/dbraw/zinc/01/65/03/180016503.db2.gz RAIFTQUCWIEUSY-UHFFFAOYSA-N 1 2 216.288 2.621 20 0 BFADLO Cc1nc([C@@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000122952939 180037260 /nfs/dbraw/zinc/03/72/60/180037260.db2.gz GAFMMBQBTQRXLD-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccs2)no1 ZINC000289469203 180037356 /nfs/dbraw/zinc/03/73/56/180037356.db2.gz HDIRNBGNZSHJQY-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)[nH]1 ZINC000331338977 180050427 /nfs/dbraw/zinc/05/04/27/180050427.db2.gz WIQJCOSJPSYXJP-IUCAKERBSA-N 1 2 248.330 2.735 20 0 BFADLO Cc1nc(N(C)CCC2CC2)c2c([nH+]1)CCCC2 ZINC000302103495 180067799 /nfs/dbraw/zinc/06/77/99/180067799.db2.gz QUANCTRGOYQAIR-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1nc([C@H]2CCCC[N@@H+]2CCCCF)no1 ZINC000367542143 180055773 /nfs/dbraw/zinc/05/57/73/180055773.db2.gz XTNSAEAFLSUEJR-LLVKDONJSA-N 1 2 241.310 2.655 20 0 BFADLO Cc1nc([C@H]2CCCC[N@H+]2CCCCF)no1 ZINC000367542143 180055776 /nfs/dbraw/zinc/05/57/76/180055776.db2.gz XTNSAEAFLSUEJR-LLVKDONJSA-N 1 2 241.310 2.655 20 0 BFADLO Cc1cccc(CNc2nc[nH+]c(N)c2Cl)c1 ZINC000235911333 191024656 /nfs/dbraw/zinc/02/46/56/191024656.db2.gz QAVKRXQVKJLKLX-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1cccc(CNc2[nH+]cnc(N)c2Cl)c1 ZINC000235911333 191024659 /nfs/dbraw/zinc/02/46/59/191024659.db2.gz QAVKRXQVKJLKLX-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C3CC=CC3)cc2[nH+]1 ZINC000353916065 180095418 /nfs/dbraw/zinc/09/54/18/180095418.db2.gz VZANOMONBDFWEL-UHFFFAOYSA-N 1 2 241.294 2.776 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@H](F)C2)c2c([nH+]1)CCCC2 ZINC000340908226 180070004 /nfs/dbraw/zinc/07/00/04/180070004.db2.gz HQNOJJUBGZMUQM-WDEREUQCSA-N 1 2 249.333 2.966 20 0 BFADLO Cc1nc(NCc2ccoc2)c2c([nH+]1)CCCC2 ZINC000180430281 180070255 /nfs/dbraw/zinc/07/02/55/180070255.db2.gz NQBRCFFOYXIHND-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO Cc1nc(N[C@@H]2CC2(C)C)c2c([nH+]1)CCCC2 ZINC000359720249 180070666 /nfs/dbraw/zinc/07/06/66/180070666.db2.gz BDZYKKCAHYIMNR-GFCCVEGCSA-N 1 2 231.343 2.874 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000338336606 180141791 /nfs/dbraw/zinc/14/17/91/180141791.db2.gz DZCRTHRVYSDFMN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000338336606 180141792 /nfs/dbraw/zinc/14/17/92/180141792.db2.gz DZCRTHRVYSDFMN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(C[NH2+][C@@H](C)c2nccs2)s1 ZINC000070650444 180154387 /nfs/dbraw/zinc/15/43/87/180154387.db2.gz LZSZMHDQHYMVOE-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1nc(N2CC[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000130588068 180194929 /nfs/dbraw/zinc/19/49/29/180194929.db2.gz YSRUIBFKFOEZEW-MNOVXSKESA-N 1 2 219.332 2.657 20 0 BFADLO Cc1nc(N2CC[C@H](CC(F)(F)F)C2)cc[nH+]1 ZINC000277495703 180195384 /nfs/dbraw/zinc/19/53/84/180195384.db2.gz SEWIOHJDLBJGQX-SECBINFHSA-N 1 2 245.248 2.564 20 0 BFADLO Cc1nc(NCCCC(C)(F)F)cc[nH+]1 ZINC000294996445 180198561 /nfs/dbraw/zinc/19/85/61/180198561.db2.gz RFPWTRYNAZFFGO-UHFFFAOYSA-N 1 2 215.247 2.632 20 0 BFADLO Cc1nc(NCCCSCC(C)C)cc[nH+]1 ZINC000153610706 180199433 /nfs/dbraw/zinc/19/94/33/180199433.db2.gz JPZUZLJTGZSYHE-UHFFFAOYSA-N 1 2 239.388 2.976 20 0 BFADLO Cc1nc(NC[C@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000281995590 180200119 /nfs/dbraw/zinc/20/01/19/180200119.db2.gz NUZXUAISWUDXOD-VIFPVBQESA-N 1 2 227.258 2.632 20 0 BFADLO Cc1nc(NCCc2ccc(F)cc2)cc[nH+]1 ZINC000054935658 180200253 /nfs/dbraw/zinc/20/02/53/180200253.db2.gz OXQJTQPUVNOMND-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1nc(N[C@@H]2CCCC(F)(F)C2)cc[nH+]1 ZINC000335600880 180202856 /nfs/dbraw/zinc/20/28/56/180202856.db2.gz CNPTZSUKVKHETH-SECBINFHSA-N 1 2 227.258 2.775 20 0 BFADLO Cc1nc(N[C@@H]2CCO[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000270772964 180203971 /nfs/dbraw/zinc/20/39/71/180203971.db2.gz MIYZEBJCJRRZJG-NEPJUHHUSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@H]2CCCC(F)(F)C2)cc[nH+]1 ZINC000335600881 180205092 /nfs/dbraw/zinc/20/50/92/180205092.db2.gz CNPTZSUKVKHETH-VIFPVBQESA-N 1 2 227.258 2.775 20 0 BFADLO Cc1nc(N[C@H]2CC3CCC2CC3)cc[nH+]1 ZINC000309700029 180205650 /nfs/dbraw/zinc/20/56/50/180205650.db2.gz MIZFUQHCOJNILV-MCIGGMRASA-N 1 2 217.316 2.776 20 0 BFADLO Cc1nc(N[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054935724 180206526 /nfs/dbraw/zinc/20/65/26/180206526.db2.gz OIOCBUAKVPITOP-ONGXEEELSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nccc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000071214975 180207109 /nfs/dbraw/zinc/20/71/09/180207109.db2.gz XCGXUZKZDJGBLX-UHFFFAOYSA-N 1 2 240.310 2.887 20 0 BFADLO Cc1nc(NCC(C)(C)C2CCCC2)cc[nH+]1 ZINC000338053159 180179646 /nfs/dbraw/zinc/17/96/46/180179646.db2.gz HUCOTPMFXQJPRQ-UHFFFAOYSA-N 1 2 233.359 2.835 20 0 BFADLO Cc1nc(NCC[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000361025024 180181193 /nfs/dbraw/zinc/18/11/93/180181193.db2.gz HTWBRZVDNCQIDE-WCQYABFASA-N 1 2 233.359 2.835 20 0 BFADLO Cc1nc(N[C@@H](C)CCC(C)(C)C)cc[nH+]1 ZINC000336730862 180181436 /nfs/dbraw/zinc/18/14/36/180181436.db2.gz DZHMFGBDXAPEQB-JTQLQIEISA-N 1 2 221.348 2.834 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(CC2CCC2)no1 ZINC000289322264 180222078 /nfs/dbraw/zinc/22/20/78/180222078.db2.gz YPFBQLHOKCYYKC-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO Cc1[nH+]cccc1NC1CCSCC1 ZINC000085711614 180225663 /nfs/dbraw/zinc/22/56/63/180225663.db2.gz KECPTOFABYAWQB-UHFFFAOYSA-N 1 2 208.330 2.698 20 0 BFADLO c1ccc2oc(C[NH2+]Cc3cccnc3)nc2c1 ZINC000606141928 350278702 /nfs/dbraw/zinc/27/87/02/350278702.db2.gz NVSLRWXCLJJEMH-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CC(C)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583762 350373205 /nfs/dbraw/zinc/37/32/05/350373205.db2.gz MVRYYRGQTXMSHX-UHFFFAOYSA-N 1 2 246.314 2.502 20 0 BFADLO CCc1cc(NCCc2ccccc2)nc[nH+]1 ZINC000040765042 350394541 /nfs/dbraw/zinc/39/45/41/350394541.db2.gz ARTYDSDRHYYZSV-UHFFFAOYSA-N 1 2 227.311 2.694 20 0 BFADLO CCc1cc(NCc2cccc(OC)c2)nc[nH+]1 ZINC000040765153 350395145 /nfs/dbraw/zinc/39/51/45/350395145.db2.gz OFOSCBIXWSNMRN-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO Cc1ncsc1CNc1ccc(N(C)C)[nH+]c1 ZINC000088869203 180324253 /nfs/dbraw/zinc/32/42/53/180324253.db2.gz NPEDMJVBPQGTEA-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CCc1nc(C[N@@H+](CC)CC(C)(C)C)no1 ZINC000336643832 350411463 /nfs/dbraw/zinc/41/14/63/350411463.db2.gz BKNXDRFVRAIYKL-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCc1nc(C[N@H+](CC)CC(C)(C)C)no1 ZINC000336643832 350411468 /nfs/dbraw/zinc/41/14/68/350411468.db2.gz BKNXDRFVRAIYKL-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO Cc1ncc([C@H](C)[NH2+]Cc2nccs2)s1 ZINC000127110633 490536462 /nfs/dbraw/zinc/53/64/62/490536462.db2.gz FRFYJIBCVLGSOA-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1ncc(C)cn1 ZINC000336688444 350444378 /nfs/dbraw/zinc/44/43/78/350444378.db2.gz HHXJCVIJGWHCSO-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1ncc(C)cn1 ZINC000336688444 350444381 /nfs/dbraw/zinc/44/43/81/350444381.db2.gz HHXJCVIJGWHCSO-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(C)c(F)c2)no1 ZINC000070160440 350503949 /nfs/dbraw/zinc/50/39/49/350503949.db2.gz UJFMYAQXWGOVHM-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1nc(N2CCC[C@@H](C(C)C)C2)cc[nH+]1 ZINC000443988284 191111308 /nfs/dbraw/zinc/11/13/08/191111308.db2.gz MBVKIBJZAUXUDQ-GFCCVEGCSA-N 1 2 219.332 2.657 20 0 BFADLO C[C@H]1C[C@H](C)N(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443516662 191109074 /nfs/dbraw/zinc/10/90/74/191109074.db2.gz GSMOSFWCMLUYMA-UWVGGRQHSA-N 1 2 247.317 2.947 20 0 BFADLO CCCC[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000337418849 350583641 /nfs/dbraw/zinc/58/36/41/350583641.db2.gz AIBWACQPESJHNO-LLVKDONJSA-N 1 2 249.358 2.912 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccccn2)o1 ZINC000291790974 350960480 /nfs/dbraw/zinc/96/04/80/350960480.db2.gz BDUNFOSVDLWYCF-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO N#Cc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000397992015 350991828 /nfs/dbraw/zinc/99/18/28/350991828.db2.gz IWOASIPIZUBIRR-LBPRGKRZSA-N 1 2 236.265 2.836 20 0 BFADLO Cc1ocnc1CNc1cc[nH+]c(C(C)C)n1 ZINC000301988742 180551862 /nfs/dbraw/zinc/55/18/62/180551862.db2.gz WHDODQUWKLXMME-UHFFFAOYSA-N 1 2 232.287 2.509 20 0 BFADLO C[N@H+](CCOc1ccccc1)Cc1cscn1 ZINC000052636561 351062939 /nfs/dbraw/zinc/06/29/39/351062939.db2.gz WNVBGXSBFIDKPH-UHFFFAOYSA-N 1 2 248.351 2.654 20 0 BFADLO C[N@@H+](CCOc1ccccc1)Cc1cscn1 ZINC000052636561 351062942 /nfs/dbraw/zinc/06/29/42/351062942.db2.gz WNVBGXSBFIDKPH-UHFFFAOYSA-N 1 2 248.351 2.654 20 0 BFADLO Cc1[nH]c(CN2CC(C)(CC(F)F)C2)[nH+]c1C ZINC000628322053 351187837 /nfs/dbraw/zinc/18/78/37/351187837.db2.gz WFRKFGQTOYEXGB-UHFFFAOYSA-N 1 2 243.301 2.504 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1cnc(C)o1)C2 ZINC000628327748 351264392 /nfs/dbraw/zinc/26/43/92/351264392.db2.gz OAEHDMMHBOUXLT-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1cnc(C)o1)C2 ZINC000628327748 351264397 /nfs/dbraw/zinc/26/43/97/351264397.db2.gz OAEHDMMHBOUXLT-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)COC1CCCC1 ZINC000265008858 351261538 /nfs/dbraw/zinc/26/15/38/351261538.db2.gz NZRPUQBLIXJLRQ-UHFFFAOYSA-N 1 2 248.326 2.542 20 0 BFADLO CCN(c1cc[nH+]c(C)n1)C1CCCC1 ZINC000266357149 351290157 /nfs/dbraw/zinc/29/01/57/351290157.db2.gz KDIYISUCCZQEOG-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)/C=C/C1CC1 ZINC000266324883 351290484 /nfs/dbraw/zinc/29/04/84/351290484.db2.gz QPMCQROHCUTNJR-AATRIKPKSA-N 1 2 216.284 2.549 20 0 BFADLO C[C@@H](CO)[C@@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631125672 351326051 /nfs/dbraw/zinc/32/60/51/351326051.db2.gz HUQXPKZCFAJSKC-WDEREUQCSA-N 1 2 230.311 2.664 20 0 BFADLO CC(C)[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631125944 351327354 /nfs/dbraw/zinc/32/73/54/351327354.db2.gz JIMGQMDBBOFOBS-CYBMUJFWSA-N 1 2 230.311 2.664 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccoc1 ZINC000389461623 351273888 /nfs/dbraw/zinc/27/38/88/351273888.db2.gz GKAVHJBGEYWECI-HTQZYQBOSA-N 1 2 203.232 2.974 20 0 BFADLO Cc1ccc(Cl)cc1NCc1[nH+]ccn1C ZINC000036804648 358462629 /nfs/dbraw/zinc/46/26/29/358462629.db2.gz BWZJPVSMALYGAB-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO OC1CC(CCNc2cc3ccccc3c[nH+]2)C1 ZINC000631248405 351373598 /nfs/dbraw/zinc/37/35/98/351373598.db2.gz YNWKEFRTJSBJFJ-UHFFFAOYSA-N 1 2 242.322 2.808 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](CC)SC ZINC000269554503 351359042 /nfs/dbraw/zinc/35/90/42/351359042.db2.gz OBUMVIBKUGQZMK-LLVKDONJSA-N 1 2 238.356 2.724 20 0 BFADLO CC1(C)CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000571969207 323513249 /nfs/dbraw/zinc/51/32/49/323513249.db2.gz FNTCKEJMOPNVED-UHFFFAOYSA-N 1 2 217.316 2.733 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccns1 ZINC000637842171 351699086 /nfs/dbraw/zinc/69/90/86/351699086.db2.gz OICFRBCHPRYTMK-SNVBAGLBSA-N 1 2 233.340 2.521 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccns1 ZINC000637842171 351699087 /nfs/dbraw/zinc/69/90/87/351699087.db2.gz OICFRBCHPRYTMK-SNVBAGLBSA-N 1 2 233.340 2.521 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccns1 ZINC000637842170 351699194 /nfs/dbraw/zinc/69/91/94/351699194.db2.gz OICFRBCHPRYTMK-JTQLQIEISA-N 1 2 233.340 2.521 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccns1 ZINC000637842170 351699197 /nfs/dbraw/zinc/69/91/97/351699197.db2.gz OICFRBCHPRYTMK-JTQLQIEISA-N 1 2 233.340 2.521 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000279729523 351822586 /nfs/dbraw/zinc/82/25/86/351822586.db2.gz CLOIIYMNWYLBCV-VXGBXAGGSA-N 1 2 249.358 2.551 20 0 BFADLO COc1ncc(C[NH+]2Cc3ccccc3C2)s1 ZINC000638038323 351918233 /nfs/dbraw/zinc/91/82/33/351918233.db2.gz VDDCITGWEGRKQU-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO CC(C)C1(CN2CC[NH+](C3CCC3)CC2)CC1 ZINC000638078256 351951836 /nfs/dbraw/zinc/95/18/36/351951836.db2.gz HBBRBRIIZKOIIU-UHFFFAOYSA-N 1 2 236.403 2.593 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOCC23CCC3)c(F)c1 ZINC000638095684 351975472 /nfs/dbraw/zinc/97/54/72/351975472.db2.gz BMMRAGHCSPJOLY-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@H+]2CCOCC23CCC3)c(F)c1 ZINC000638095684 351975474 /nfs/dbraw/zinc/97/54/74/351975474.db2.gz BMMRAGHCSPJOLY-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2ccon2)c1C ZINC000638100231 351980791 /nfs/dbraw/zinc/98/07/91/351980791.db2.gz LIXPSDNPLJQWBW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2ccon2)c1C ZINC000638100231 351980794 /nfs/dbraw/zinc/98/07/94/351980794.db2.gz LIXPSDNPLJQWBW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC[C@@](C)(C[N@H+](CC(F)F)C(C)C)OC ZINC000638179854 352043674 /nfs/dbraw/zinc/04/36/74/352043674.db2.gz SPLOHRDCSGAUAL-NSHDSACASA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@@](C)(C[N@@H+](CC(F)F)C(C)C)OC ZINC000638179854 352043676 /nfs/dbraw/zinc/04/36/76/352043676.db2.gz SPLOHRDCSGAUAL-NSHDSACASA-N 1 2 223.307 2.777 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC000411148899 191165280 /nfs/dbraw/zinc/16/52/80/191165280.db2.gz OJOIVSHPAPZIAO-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC000411148899 191165281 /nfs/dbraw/zinc/16/52/81/191165281.db2.gz OJOIVSHPAPZIAO-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000293543342 352354230 /nfs/dbraw/zinc/35/42/30/352354230.db2.gz YFJYNJJKRUHZHJ-DTWKUNHWSA-N 1 2 210.346 2.546 20 0 BFADLO CCc1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000293543342 352354234 /nfs/dbraw/zinc/35/42/34/352354234.db2.gz YFJYNJJKRUHZHJ-DTWKUNHWSA-N 1 2 210.346 2.546 20 0 BFADLO CCC[N@H+](CCc1cncs1)CC(F)F ZINC000411232210 191172698 /nfs/dbraw/zinc/17/26/98/191172698.db2.gz YEPIMCOYMJUPSB-UHFFFAOYSA-N 1 2 234.315 2.663 20 0 BFADLO CCC[N@@H+](CCc1cncs1)CC(F)F ZINC000411232210 191172701 /nfs/dbraw/zinc/17/27/01/191172701.db2.gz YEPIMCOYMJUPSB-UHFFFAOYSA-N 1 2 234.315 2.663 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccc(C)cc1C)C(=O)OC ZINC000411437257 191185663 /nfs/dbraw/zinc/18/56/63/191185663.db2.gz HRMDIVNISJTBNW-HNNXBMFYSA-N 1 2 249.354 2.735 20 0 BFADLO C[C@H](CC(=O)NCCCC1CCC1)n1cc[nH+]c1 ZINC000618619699 352545146 /nfs/dbraw/zinc/54/51/46/352545146.db2.gz DLVDNVOQZIBVRJ-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO CC[N@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC000340670665 352593228 /nfs/dbraw/zinc/59/32/28/352593228.db2.gz WUUGGUODGWPLSD-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO CC[N@@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC000340670665 352593231 /nfs/dbraw/zinc/59/32/31/352593231.db2.gz WUUGGUODGWPLSD-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO COCc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000040727332 352603984 /nfs/dbraw/zinc/60/39/84/352603984.db2.gz ZCFWQFNZFCHTBK-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CCOc1cccc(CNc2cc(C)[nH+]cn2)c1 ZINC000040727263 352604026 /nfs/dbraw/zinc/60/40/26/352604026.db2.gz FMXKXXRZTQJTRJ-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO C[C@@H]1C[C@@H]1N(Cc1c[nH+]cn1C)c1ccccc1 ZINC000411930002 191228874 /nfs/dbraw/zinc/22/88/74/191228874.db2.gz YMAXCPCRZHJKTK-DOMZBBRYSA-N 1 2 241.338 2.835 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000307493457 352624703 /nfs/dbraw/zinc/62/47/03/352624703.db2.gz IDFWCOMNRWZGKQ-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO CC[N@H+](Cc1noc(C2CC2)n1)C1CC(C)(C)C1 ZINC000412044853 191244558 /nfs/dbraw/zinc/24/45/58/191244558.db2.gz YKRULYAZLJHXDT-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CC[N@@H+](Cc1noc(C2CC2)n1)C1CC(C)(C)C1 ZINC000412044853 191244561 /nfs/dbraw/zinc/24/45/61/191244561.db2.gz YKRULYAZLJHXDT-UHFFFAOYSA-N 1 2 249.358 2.958 20 0 BFADLO CCOC1CC(CNc2ccc(C)[nH+]c2)C1 ZINC000638761831 352699274 /nfs/dbraw/zinc/69/92/74/352699274.db2.gz LTVRVUPRTQGQCY-UHFFFAOYSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000638785601 352739486 /nfs/dbraw/zinc/73/94/86/352739486.db2.gz DQWFNPRWJQJVBR-CBAPKCEASA-N 1 2 212.243 2.846 20 0 BFADLO Cc1[nH+]cccc1NCCC1CCOCC1 ZINC000638787045 352741836 /nfs/dbraw/zinc/74/18/36/352741836.db2.gz TYEUWRRWQDXPIU-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO Cn1c[nH+]cc1CSC1CCCCC1 ZINC000267779979 180790873 /nfs/dbraw/zinc/79/08/73/180790873.db2.gz NCBZKFUIUKQJSN-UHFFFAOYSA-N 1 2 210.346 2.986 20 0 BFADLO CCCc1nc(C[N@@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000412034267 191248085 /nfs/dbraw/zinc/24/80/85/191248085.db2.gz DTXWOWDYFCEDGG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CC(C)(C)C[C@H]2C)no1 ZINC000412034267 191248086 /nfs/dbraw/zinc/24/80/86/191248086.db2.gz DTXWOWDYFCEDGG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1ccc(CN2CCn3cc[nH+]c3C2)cc1C ZINC000334218530 352820124 /nfs/dbraw/zinc/82/01/24/352820124.db2.gz IJBYIWXSZLBPDY-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO COc1cccc([C@H](C)[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334220411 352822749 /nfs/dbraw/zinc/82/27/49/352822749.db2.gz VLWPABWVRJGSEN-RYUDHWBXSA-N 1 2 247.338 2.667 20 0 BFADLO COc1cccc([C@H](C)[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334220411 352822752 /nfs/dbraw/zinc/82/27/52/352822752.db2.gz VLWPABWVRJGSEN-RYUDHWBXSA-N 1 2 247.338 2.667 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000334194878 352786772 /nfs/dbraw/zinc/78/67/72/352786772.db2.gz LPCAEZJIYPIOKR-WDEREUQCSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000334194878 352786775 /nfs/dbraw/zinc/78/67/75/352786775.db2.gz LPCAEZJIYPIOKR-WDEREUQCSA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000334240919 352828772 /nfs/dbraw/zinc/82/87/72/352828772.db2.gz MQIMRRIMULXJHX-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)no1 ZINC000334240919 352828775 /nfs/dbraw/zinc/82/87/75/352828775.db2.gz MQIMRRIMULXJHX-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000334275068 352911352 /nfs/dbraw/zinc/91/13/52/352911352.db2.gz BRYAEBKKEDQBJT-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000334275068 352911354 /nfs/dbraw/zinc/91/13/54/352911354.db2.gz BRYAEBKKEDQBJT-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO CC[C@@H](Nc1nc(C2CC2)ns1)c1[nH]cc[nH+]1 ZINC000139801416 538106514 /nfs/dbraw/zinc/10/65/14/538106514.db2.gz QFKYFQILKXYZBH-MRVPVSSYSA-N 1 2 249.343 2.702 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)sn1 ZINC000638909629 353066949 /nfs/dbraw/zinc/06/69/49/353066949.db2.gz HOUFGVQQSYKJDG-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)sn1 ZINC000638909629 353066950 /nfs/dbraw/zinc/06/69/50/353066950.db2.gz HOUFGVQQSYKJDG-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000191453198 188003501 /nfs/dbraw/zinc/00/35/01/188003501.db2.gz FINGIRJCKOTDIH-NSHDSACASA-N 1 2 230.315 2.724 20 0 BFADLO CCCCc1nc(C[N@H+](C)C[C@@H](C)CC)no1 ZINC000111253876 188006784 /nfs/dbraw/zinc/00/67/84/188006784.db2.gz NJHDVXFQGFLCGK-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO CCCCc1nc(C[N@@H+](C)C[C@@H](C)CC)no1 ZINC000111253876 188006785 /nfs/dbraw/zinc/00/67/85/188006785.db2.gz NJHDVXFQGFLCGK-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO C/C(=C\c1ccccc1)C[NH2+]Cc1cn[nH]c1C ZINC000263903407 188020049 /nfs/dbraw/zinc/02/00/49/188020049.db2.gz XRQMOOHOQJWFSU-XYOKQWHBSA-N 1 2 241.338 2.911 20 0 BFADLO CCCCCNc1cc[nH+]c(C(C)C)n1 ZINC000336744459 168701507 /nfs/dbraw/zinc/70/15/07/168701507.db2.gz ZKYFWIFYNPKQJV-UHFFFAOYSA-N 1 2 207.321 2.624 20 0 BFADLO CC(=O)Nc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000271608341 188026536 /nfs/dbraw/zinc/02/65/36/188026536.db2.gz JQOFTZCIHCGJEF-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO CC(=O)Nc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000271608341 188026538 /nfs/dbraw/zinc/02/65/38/188026538.db2.gz JQOFTZCIHCGJEF-UHFFFAOYSA-N 1 2 248.301 2.704 20 0 BFADLO C/C=C(\C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000278249385 188030749 /nfs/dbraw/zinc/03/07/49/188030749.db2.gz YVYGYALGRPXTKG-RUDMXATFSA-N 1 2 229.283 2.787 20 0 BFADLO C1=C(CC[C@H]2CCCCO2)N2CC[NH+]=C2S1 ZINC000294925050 188038779 /nfs/dbraw/zinc/03/87/79/188038779.db2.gz COGRXTLFKDEYRU-LLVKDONJSA-N 1 2 238.356 2.596 20 0 BFADLO CC(C)=CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000192320094 188004423 /nfs/dbraw/zinc/00/44/23/188004423.db2.gz SZYFYNCKEXRTNQ-UHFFFAOYSA-N 1 2 233.315 2.786 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3ncccc3c2)no1 ZINC000093305786 538109721 /nfs/dbraw/zinc/10/97/21/538109721.db2.gz JDELAKIRZBLSGJ-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1c(C)noc1C ZINC000331193951 353228796 /nfs/dbraw/zinc/22/87/96/353228796.db2.gz WKOBKTLKHJPLCQ-GXSJLCMTSA-N 1 2 248.330 2.816 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1c(C)noc1C ZINC000331193961 353228900 /nfs/dbraw/zinc/22/89/00/353228900.db2.gz WKOBKTLKHJPLCQ-MWLCHTKSSA-N 1 2 248.330 2.816 20 0 BFADLO Cc1cc(N(C)Cc2ccccc2C)nc[nH+]1 ZINC000301229014 188232866 /nfs/dbraw/zinc/23/28/66/188232866.db2.gz GOPWBJXVZHSVLN-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO COc1ccc(N[C@H](C)c2cccnc2)[nH+]c1 ZINC000225835618 538114170 /nfs/dbraw/zinc/11/41/70/538114170.db2.gz CGRJTDKLHRHDLV-SNVBAGLBSA-N 1 2 229.283 2.658 20 0 BFADLO Cc1ccc(C[S@](=O)CCC(C)C)c(C)[nH+]1 ZINC000357850449 188239225 /nfs/dbraw/zinc/23/92/25/188239225.db2.gz XSKMARVHOXXDBC-MRXNPFEDSA-N 1 2 239.384 2.993 20 0 BFADLO CC(C)[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848637 188258984 /nfs/dbraw/zinc/25/89/84/188258984.db2.gz WWAQNXZXIITXOQ-CYBMUJFWSA-N 1 2 223.291 2.607 20 0 BFADLO CC(C)[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848637 188258986 /nfs/dbraw/zinc/25/89/86/188258986.db2.gz WWAQNXZXIITXOQ-CYBMUJFWSA-N 1 2 223.291 2.607 20 0 BFADLO COc1ccc(N[C@@H](C)C(C)(C)C)[nH+]c1 ZINC000225835646 538114280 /nfs/dbraw/zinc/11/42/80/538114280.db2.gz RLRHBCBLDMMDEG-VIFPVBQESA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ncc(C)o2)cc1 ZINC000075618130 188308113 /nfs/dbraw/zinc/30/81/13/188308113.db2.gz DXNFZCNRWIKYKW-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ncc(C)o2)cc1 ZINC000075618130 188308114 /nfs/dbraw/zinc/30/81/14/188308114.db2.gz DXNFZCNRWIKYKW-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(N[C@@H]2CC[C@@H](C)C2)[nH+]c1 ZINC000225894675 538114572 /nfs/dbraw/zinc/11/45/72/538114572.db2.gz UZULCRXBSRLHRM-NXEZZACHSA-N 1 2 206.289 2.691 20 0 BFADLO C[N@H+](Cc1cc(C2CC2)no1)Cc1ccncc1 ZINC000639041759 353328141 /nfs/dbraw/zinc/32/81/41/353328141.db2.gz YRTFRFSRNLYFJJ-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1ccncc1 ZINC000639041759 353328144 /nfs/dbraw/zinc/32/81/44/353328144.db2.gz YRTFRFSRNLYFJJ-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](O)CC1CCCC1 ZINC000190499422 353359652 /nfs/dbraw/zinc/35/96/52/353359652.db2.gz DYKWYOQKQZYRDN-LBPRGKRZSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CC1CCCC1 ZINC000190499422 353359656 /nfs/dbraw/zinc/35/96/56/353359656.db2.gz DYKWYOQKQZYRDN-LBPRGKRZSA-N 1 2 249.345 2.905 20 0 BFADLO Cc1csc(C[NH2+]Cc2ccoc2C)n1 ZINC000309068677 188342941 /nfs/dbraw/zinc/34/29/41/188342941.db2.gz APCSJWXDIUKVST-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CC[C@H](C)[C@@H](C[N@H+](CC)CC(F)F)OC ZINC000639062150 353371465 /nfs/dbraw/zinc/37/14/65/353371465.db2.gz RDPJRMIRUVAHEE-VHSXEESVSA-N 1 2 223.307 2.635 20 0 BFADLO CC[C@H](C)[C@@H](C[N@@H+](CC)CC(F)F)OC ZINC000639062150 353371469 /nfs/dbraw/zinc/37/14/69/353371469.db2.gz RDPJRMIRUVAHEE-VHSXEESVSA-N 1 2 223.307 2.635 20 0 BFADLO O[C@@H](C[N@H+](CC(F)F)C1CC1)C1CCCCC1 ZINC000190531690 353384619 /nfs/dbraw/zinc/38/46/19/353384619.db2.gz CGDQMEXMUUGOBG-LBPRGKRZSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H](C[N@@H+](CC(F)F)C1CC1)C1CCCCC1 ZINC000190531690 353384622 /nfs/dbraw/zinc/38/46/22/353384622.db2.gz CGDQMEXMUUGOBG-LBPRGKRZSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@H+](CC(F)F)C1CC1 ZINC000190531620 353384909 /nfs/dbraw/zinc/38/49/09/353384909.db2.gz YICBFTCGNAWFBS-LBPRGKRZSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@@H+](CC(F)F)C1CC1 ZINC000190531620 353384911 /nfs/dbraw/zinc/38/49/11/353384911.db2.gz YICBFTCGNAWFBS-LBPRGKRZSA-N 1 2 247.329 2.657 20 0 BFADLO Cc1ccnc(C[N@H+](C)Cc2ccccc2C)n1 ZINC000336688654 188359698 /nfs/dbraw/zinc/35/96/98/188359698.db2.gz BBHWGQRCYWLGRC-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccnc(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000336688654 188359700 /nfs/dbraw/zinc/35/97/00/188359700.db2.gz BBHWGQRCYWLGRC-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CCc1cc(NCC2(C)CCC2)nc[nH+]1 ZINC000226808915 491051170 /nfs/dbraw/zinc/05/11/70/491051170.db2.gz IPXYCENHIZJCNJ-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000279729520 188382433 /nfs/dbraw/zinc/38/24/33/188382433.db2.gz CLOIIYMNWYLBCV-RYUDHWBXSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1ccc2c(c1)CN(c1cccc[nH+]1)CCO2 ZINC000286276319 188386849 /nfs/dbraw/zinc/38/68/49/188386849.db2.gz HROQMUADNPWHAA-UHFFFAOYSA-N 1 2 240.306 2.789 20 0 BFADLO CC(C)C[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297824527 188395442 /nfs/dbraw/zinc/39/54/42/188395442.db2.gz QEYXMROEULBTGO-NSHDSACASA-N 1 2 245.326 2.955 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2occc2C)o1 ZINC000231530390 353619074 /nfs/dbraw/zinc/61/90/74/353619074.db2.gz IMYGBIUTRIIJKP-SNVBAGLBSA-N 1 2 220.272 2.735 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccco1)CCO2 ZINC000375009483 181006369 /nfs/dbraw/zinc/00/63/69/181006369.db2.gz WUBQNUNGKGQPGA-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccco1)CCO2 ZINC000375009483 181006370 /nfs/dbraw/zinc/00/63/70/181006370.db2.gz WUBQNUNGKGQPGA-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000157840567 181007326 /nfs/dbraw/zinc/00/73/26/181007326.db2.gz YGXJNUIFTBRGKQ-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000157840567 181007328 /nfs/dbraw/zinc/00/73/28/181007328.db2.gz YGXJNUIFTBRGKQ-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cncc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000274380393 181019903 /nfs/dbraw/zinc/01/99/03/181019903.db2.gz SIUFQUUTWQYBEM-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cncc(C[N@H+]2CCc3sccc3C2)c1 ZINC000274380393 181019905 /nfs/dbraw/zinc/01/99/05/181019905.db2.gz SIUFQUUTWQYBEM-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CC1C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000334522649 353890170 /nfs/dbraw/zinc/89/01/70/353890170.db2.gz VTOYBHZNUFINRE-UHFFFAOYSA-N 1 2 215.218 2.556 20 0 BFADLO CC(C)c1cc(N2CC(F)C2)nc(C(C)C)[nH+]1 ZINC000343554082 353920291 /nfs/dbraw/zinc/92/02/91/353920291.db2.gz VXZMEGFGLABFPX-UHFFFAOYSA-N 1 2 237.322 2.882 20 0 BFADLO CO[C@H](C)CN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000343791815 353996926 /nfs/dbraw/zinc/99/69/26/353996926.db2.gz UEYKSEUZJLAODL-SNVBAGLBSA-N 1 2 248.301 2.845 20 0 BFADLO CC[N@H+](Cc1ccns1)Cc1ccncc1 ZINC000639167854 354041628 /nfs/dbraw/zinc/04/16/28/354041628.db2.gz KVLDUNZHXHLPBY-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1ccns1)Cc1ccncc1 ZINC000639167854 354041632 /nfs/dbraw/zinc/04/16/32/354041632.db2.gz KVLDUNZHXHLPBY-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343799426 354003174 /nfs/dbraw/zinc/00/31/74/354003174.db2.gz XGADETSPOBBQAH-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343799426 354003176 /nfs/dbraw/zinc/00/31/76/354003176.db2.gz XGADETSPOBBQAH-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000343801902 354005850 /nfs/dbraw/zinc/00/58/50/354005850.db2.gz DZFVCCVXHXNGLY-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000343801902 354005854 /nfs/dbraw/zinc/00/58/54/354005854.db2.gz DZFVCCVXHXNGLY-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343811908 354011675 /nfs/dbraw/zinc/01/16/75/354011675.db2.gz SLXRUBSACTVQKD-MWLCHTKSSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343811908 354011677 /nfs/dbraw/zinc/01/16/77/354011677.db2.gz SLXRUBSACTVQKD-MWLCHTKSSA-N 1 2 232.331 2.509 20 0 BFADLO CC(C)(C)[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000343831868 354034115 /nfs/dbraw/zinc/03/41/15/354034115.db2.gz NSRGODSFYLTSDB-LLVKDONJSA-N 1 2 204.317 2.954 20 0 BFADLO CCC[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000613455862 363299985 /nfs/dbraw/zinc/29/99/85/363299985.db2.gz JZMRQFCZOIGPPL-GXTWGEPZSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1nc(NC[C@@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000230431410 363311379 /nfs/dbraw/zinc/31/13/79/363311379.db2.gz WAFBPTPTCFXOLR-MWLCHTKSSA-N 1 2 205.305 2.633 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@H]1CC=CCC1 ZINC000344080293 354135146 /nfs/dbraw/zinc/13/51/46/354135146.db2.gz YWCZCWVLWBSDPC-NSHDSACASA-N 1 2 247.342 2.735 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@H]1CC=CCC1 ZINC000344080293 354135150 /nfs/dbraw/zinc/13/51/50/354135150.db2.gz YWCZCWVLWBSDPC-NSHDSACASA-N 1 2 247.342 2.735 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)C1CC(F)(F)C1 ZINC000529544561 324334623 /nfs/dbraw/zinc/33/46/23/324334623.db2.gz PXSFNSMSVMZEPV-QMMMGPOBSA-N 1 2 242.269 2.936 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)o1 ZINC000449698096 202003980 /nfs/dbraw/zinc/00/39/80/202003980.db2.gz MPRAYAYCPUDLAI-UHFFFAOYSA-N 1 2 246.310 2.997 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449698395 202004746 /nfs/dbraw/zinc/00/47/46/202004746.db2.gz NIHJRTYPWYMZBH-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO Cc1cc(N[C@H](C)CC(F)(F)F)nc[nH+]1 ZINC000231749769 363351282 /nfs/dbraw/zinc/35/12/82/363351282.db2.gz SFXOMLHCHULJSL-SSDOTTSWSA-N 1 2 219.210 2.538 20 0 BFADLO CC[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000334590889 354222042 /nfs/dbraw/zinc/22/20/42/354222042.db2.gz PBELNKWTVGVSTR-MRVPVSSYSA-N 1 2 206.289 2.683 20 0 BFADLO c1cc(C[N@H+](Cc2ccccn2)C2CC2)sn1 ZINC000639178820 354265379 /nfs/dbraw/zinc/26/53/79/354265379.db2.gz NEIKJJBNFFGDPN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1cc(C[N@@H+](Cc2ccccn2)C2CC2)sn1 ZINC000639178820 354265380 /nfs/dbraw/zinc/26/53/80/354265380.db2.gz NEIKJJBNFFGDPN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CC1C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000334619701 354308868 /nfs/dbraw/zinc/30/88/68/354308868.db2.gz CZFVIZUIZUCCLB-UHFFFAOYSA-N 1 2 215.218 2.556 20 0 BFADLO CC(C)c1nnc(C[NH2+]Cc2ccccc2)s1 ZINC000344626073 354329317 /nfs/dbraw/zinc/32/93/17/354329317.db2.gz ALNRMWLEJZSOSJ-UHFFFAOYSA-N 1 2 247.367 2.951 20 0 BFADLO CSc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000086452652 491061824 /nfs/dbraw/zinc/06/18/24/491061824.db2.gz YUCTXQNZDDZGAG-UHFFFAOYSA-N 1 2 234.324 2.686 20 0 BFADLO C[C@@H](C(N)=O)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334626352 354367146 /nfs/dbraw/zinc/36/71/46/354367146.db2.gz IGMXSRBQCZOGNU-ONGXEEELSA-N 1 2 234.299 2.730 20 0 BFADLO C[C@@H](C(N)=O)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334626352 354367149 /nfs/dbraw/zinc/36/71/49/354367149.db2.gz IGMXSRBQCZOGNU-ONGXEEELSA-N 1 2 234.299 2.730 20 0 BFADLO Cc1occc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000334668064 354407366 /nfs/dbraw/zinc/40/73/66/354407366.db2.gz HMOCEBXVKAYSNZ-CABZTGNLSA-N 1 2 231.299 2.580 20 0 BFADLO C[C@H]1CCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334669235 354409152 /nfs/dbraw/zinc/40/91/52/354409152.db2.gz VVNQLIOLRXRBON-QWRGUYRKSA-N 1 2 247.342 2.594 20 0 BFADLO c1ccc(NC[C@@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000334678762 354423428 /nfs/dbraw/zinc/42/34/28/354423428.db2.gz GSARQRCRZCDIKR-GFCCVEGCSA-N 1 2 232.327 2.843 20 0 BFADLO Cc1nc(N2CCSC3(CCC3)CC2)cc[nH+]1 ZINC000334650033 354442331 /nfs/dbraw/zinc/44/23/31/354442331.db2.gz CBWOTELZONOYJJ-UHFFFAOYSA-N 1 2 249.383 2.651 20 0 BFADLO CCC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCC1 ZINC000334653179 354446701 /nfs/dbraw/zinc/44/67/01/354446701.db2.gz LGQXOZLONVKOKB-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)CC2CCCC2)c2[nH+]ccn21 ZINC000334742779 354545936 /nfs/dbraw/zinc/54/59/36/354545936.db2.gz HHJXSLDTSSTMSL-PWSUYJOCSA-N 1 2 247.342 2.585 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1CC=CCC1 ZINC000334698017 354490171 /nfs/dbraw/zinc/49/01/71/354490171.db2.gz VEBRXIZVLHWVQV-NSHDSACASA-N 1 2 245.326 2.514 20 0 BFADLO CCC1CN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000334704563 354497967 /nfs/dbraw/zinc/49/79/67/354497967.db2.gz DMYKDDHXEQULLM-UHFFFAOYSA-N 1 2 247.342 2.881 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1(C2CCC2)CCC1 ZINC000334715159 354513092 /nfs/dbraw/zinc/51/30/92/354513092.db2.gz QQMAVEKPKLTOGQ-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO Fc1ccccc1C1C[NH+](Cc2ccns2)C1 ZINC000639198059 354599212 /nfs/dbraw/zinc/59/92/12/354599212.db2.gz WPOKJVNOFGFAKP-UHFFFAOYSA-N 1 2 248.326 2.882 20 0 BFADLO O=C(CCc1[nH]cc[nH+]1)Nc1ccc(Cl)cc1 ZINC000345637197 354720843 /nfs/dbraw/zinc/72/08/43/354720843.db2.gz WIXPNOFZCYRPBM-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO CCn1cncc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000335136496 354786058 /nfs/dbraw/zinc/78/60/58/354786058.db2.gz FHWWDGCJPADLEM-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1cncc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000335136496 354786059 /nfs/dbraw/zinc/78/60/59/354786059.db2.gz FHWWDGCJPADLEM-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1c[nH+]cc1CN1Cc2ccc(C)cc2C1 ZINC000335136496 354786063 /nfs/dbraw/zinc/78/60/63/354786063.db2.gz FHWWDGCJPADLEM-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(F)c1N)C(F)F ZINC000639214943 354810852 /nfs/dbraw/zinc/81/08/52/354810852.db2.gz UFORVATZNKOOPM-SECBINFHSA-N 1 2 232.249 2.541 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2occc2C)sn1 ZINC000639219197 354876013 /nfs/dbraw/zinc/87/60/13/354876013.db2.gz CWTAVSOEAKUJMP-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2occc2C)sn1 ZINC000639219197 354876015 /nfs/dbraw/zinc/87/60/15/354876015.db2.gz CWTAVSOEAKUJMP-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CCC1CC[NH+](Cc2noc(C(C)C)n2)CC1 ZINC000053611617 363421191 /nfs/dbraw/zinc/42/11/91/363421191.db2.gz NEYQTKQEDKNQIT-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)C[C@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000053607393 363421600 /nfs/dbraw/zinc/42/16/00/363421600.db2.gz FBKAAKUDQLENBW-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)C[C@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000053607393 363421606 /nfs/dbraw/zinc/42/16/06/363421606.db2.gz FBKAAKUDQLENBW-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CCC1([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000639222620 354902390 /nfs/dbraw/zinc/90/23/90/354902390.db2.gz LCCJBBLNXTVNNM-LBPRGKRZSA-N 1 2 248.374 2.958 20 0 BFADLO O=C(C1=CCCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335167716 354927098 /nfs/dbraw/zinc/92/70/98/354927098.db2.gz GIPGKBWPRXUIRW-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1cc(N(C)Cc2ccc(F)cc2F)nc[nH+]1 ZINC000346596012 354987695 /nfs/dbraw/zinc/98/76/95/354987695.db2.gz SQDNFPILHOUUNZ-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1C=CCC1 ZINC000335205095 355039472 /nfs/dbraw/zinc/03/94/72/355039472.db2.gz VIEXYICIDUWOTQ-GFCCVEGCSA-N 1 2 230.311 2.993 20 0 BFADLO Cc1cc(N2CC[C@](C)(F)C2)nc(C(C)C)[nH+]1 ZINC000346696665 355059422 /nfs/dbraw/zinc/05/94/22/355059422.db2.gz SXDNIFCFCKZETI-ZDUSSCGKSA-N 1 2 237.322 2.847 20 0 BFADLO Cc1cccc(CN(C)c2cc(C)[nH+]cn2)c1 ZINC000346778012 355114074 /nfs/dbraw/zinc/11/40/74/355114074.db2.gz LBBKMSGJRLKFRP-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO CCCC[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346945528 355160620 /nfs/dbraw/zinc/16/06/20/355160620.db2.gz SDDJJYKEZUKJSO-SNVBAGLBSA-N 1 2 248.330 2.688 20 0 BFADLO COc1ccncc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000346828223 355127483 /nfs/dbraw/zinc/12/74/83/355127483.db2.gz GIQSGRLRQZPJBK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccncc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000346828223 355127488 /nfs/dbraw/zinc/12/74/88/355127488.db2.gz GIQSGRLRQZPJBK-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO C[N@H+](Cc1cncc(F)c1)Cc1ccccc1F ZINC000346889341 355145344 /nfs/dbraw/zinc/14/53/44/355145344.db2.gz RJTXNVULOFWWMC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cncc(F)c1)Cc1ccccc1F ZINC000346889341 355145345 /nfs/dbraw/zinc/14/53/45/355145345.db2.gz RJTXNVULOFWWMC-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000413459924 191382035 /nfs/dbraw/zinc/38/20/35/191382035.db2.gz NKVGYLATZPOENT-GRYCIOLGSA-N 1 2 231.343 2.622 20 0 BFADLO CC(C)c1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000413459925 191382230 /nfs/dbraw/zinc/38/22/30/191382230.db2.gz NKVGYLATZPOENT-WOPDTQHZSA-N 1 2 231.343 2.622 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C(C)C)nc(C2CC2)[nH+]1 ZINC000413446958 191384208 /nfs/dbraw/zinc/38/42/08/191384208.db2.gz ZMHBIYQHICTHCC-NWDGAFQWSA-N 1 2 231.343 2.541 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(CO)o1)C2 ZINC000335291443 355267002 /nfs/dbraw/zinc/26/70/02/355267002.db2.gz BJGQLLZZEAJELF-UHFFFAOYSA-N 1 2 243.306 2.596 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(CO)o1)C2 ZINC000335291443 355267005 /nfs/dbraw/zinc/26/70/05/355267005.db2.gz BJGQLLZZEAJELF-UHFFFAOYSA-N 1 2 243.306 2.596 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241046 191363916 /nfs/dbraw/zinc/36/39/16/191363916.db2.gz GJKFFCXCWHNSIM-KOLCDFICSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241046 191363918 /nfs/dbraw/zinc/36/39/18/191363918.db2.gz GJKFFCXCWHNSIM-KOLCDFICSA-N 1 2 232.331 2.651 20 0 BFADLO CCN(Cc1occc1C)c1cc(C)[nH+]cn1 ZINC000413558478 191397518 /nfs/dbraw/zinc/39/75/18/191397518.db2.gz UGGZUJCGLICWOJ-UHFFFAOYSA-N 1 2 231.299 2.713 20 0 BFADLO C[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@H]1C ZINC000413223587 191365417 /nfs/dbraw/zinc/36/54/17/191365417.db2.gz XCQVUQXYUPUHDZ-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@H]1C ZINC000413223587 191365419 /nfs/dbraw/zinc/36/54/19/191365419.db2.gz XCQVUQXYUPUHDZ-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO CC1=C(C)CN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413273583 191367585 /nfs/dbraw/zinc/36/75/85/191367585.db2.gz SGOMPVSDXNNTNI-UHFFFAOYSA-N 1 2 244.342 2.597 20 0 BFADLO CC1=C(C)CN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413273583 191367588 /nfs/dbraw/zinc/36/75/88/191367588.db2.gz SGOMPVSDXNNTNI-UHFFFAOYSA-N 1 2 244.342 2.597 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2c2ccccc2F)cc[nH+]1 ZINC000413404456 191379886 /nfs/dbraw/zinc/37/98/86/191379886.db2.gz ICFZQNIRGFUDOH-WCQYABFASA-N 1 2 243.285 2.892 20 0 BFADLO CC1(O)C[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000639253893 355293257 /nfs/dbraw/zinc/29/32/57/355293257.db2.gz IZMGYWDZMYBLET-UHFFFAOYSA-N 1 2 243.306 2.513 20 0 BFADLO C[C@H](CC(=O)N1[C@H](C)CCC1(C)C)n1cc[nH+]c1 ZINC000583503033 355335213 /nfs/dbraw/zinc/33/52/13/355335213.db2.gz NOTXBSJZJZINKJ-VXGBXAGGSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000335779979 355407093 /nfs/dbraw/zinc/40/70/93/355407093.db2.gz VZNJUWDXLMHADV-ZDUSSCGKSA-N 1 2 233.359 2.729 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC000335779979 355407095 /nfs/dbraw/zinc/40/70/95/355407095.db2.gz VZNJUWDXLMHADV-ZDUSSCGKSA-N 1 2 233.359 2.729 20 0 BFADLO CO[C@@](C)(C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000639290755 355427680 /nfs/dbraw/zinc/42/76/80/355427680.db2.gz VFUDABNCQGAIKQ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@@](C)(C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000639290755 355427682 /nfs/dbraw/zinc/42/76/82/355427682.db2.gz VFUDABNCQGAIKQ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO C[NH+](C)Cc1nc(C(C2CCC2)C2CCC2)no1 ZINC000349773586 355455817 /nfs/dbraw/zinc/45/58/17/355455817.db2.gz AXUNJZVGSHWYPJ-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1ccoc1C[NH2+][C@H]1COc2ccc(F)cc21 ZINC000335806423 355477867 /nfs/dbraw/zinc/47/78/67/355477867.db2.gz HLINGMUEVUOJQL-LBPRGKRZSA-N 1 2 247.269 2.950 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccon2)cn1 ZINC000349829896 355487100 /nfs/dbraw/zinc/48/71/00/355487100.db2.gz IIZOYZCXBIFOEH-WDEREUQCSA-N 1 2 248.330 2.864 20 0 BFADLO CO[C@H](CNc1[nH+]cccc1SC)C1CC1 ZINC000639292707 355525664 /nfs/dbraw/zinc/52/56/64/355525664.db2.gz NPCMAIJBUINWSZ-SNVBAGLBSA-N 1 2 238.356 2.640 20 0 BFADLO CCc1cc[nH+]cc1NC1CC(n2cccn2)C1 ZINC000639295671 355586799 /nfs/dbraw/zinc/58/67/99/355586799.db2.gz RUMUTFPGCVLUBN-UHFFFAOYSA-N 1 2 242.326 2.656 20 0 BFADLO CCOC1CC(CNc2c[nH+]ccc2CC)C1 ZINC000639294699 355573688 /nfs/dbraw/zinc/57/36/88/355573688.db2.gz LEJYXYIYDZEBQI-UHFFFAOYSA-N 1 2 234.343 2.871 20 0 BFADLO C[C@@H](Nc1c[nH+]cc2c1CCCC2)[C@@H]1CCCO1 ZINC000639303497 355653575 /nfs/dbraw/zinc/65/35/75/355653575.db2.gz RPQXEPOTAHGZFQ-ABAIWWIYSA-N 1 2 246.354 2.940 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1cc(F)ccc1F ZINC000350349146 355683265 /nfs/dbraw/zinc/68/32/65/355683265.db2.gz BSJMEHDHYZAERA-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1cc(F)ccc1F ZINC000350349146 355683268 /nfs/dbraw/zinc/68/32/68/355683268.db2.gz BSJMEHDHYZAERA-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1ncc([C@@H](C)[N@@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000639313285 355685590 /nfs/dbraw/zinc/68/55/90/355685590.db2.gz PIKCWPJHOHXTKZ-ZYHUDNBSSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ncc([C@@H](C)[N@H+]2CCC[C@@H](F)C2)c(C)n1 ZINC000639313285 355685592 /nfs/dbraw/zinc/68/55/92/355685592.db2.gz PIKCWPJHOHXTKZ-ZYHUDNBSSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H]3CF)cn2c1 ZINC000335894257 355688378 /nfs/dbraw/zinc/68/83/78/355688378.db2.gz RMMSSDSLOOIRSZ-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CCC[C@@H]3CF)cn2c1 ZINC000335894257 355688382 /nfs/dbraw/zinc/68/83/82/355688382.db2.gz RMMSSDSLOOIRSZ-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccsc2)o1 ZINC000608492009 355814663 /nfs/dbraw/zinc/81/46/63/355814663.db2.gz VJQZRVKINKEAPO-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccsc2)o1 ZINC000608492009 355814666 /nfs/dbraw/zinc/81/46/66/355814666.db2.gz VJQZRVKINKEAPO-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H]2C(F)F)O1 ZINC000336028467 134057881 /nfs/dbraw/zinc/05/78/81/134057881.db2.gz YHZOZXXQSJJLOI-VHSXEESVSA-N 1 2 233.302 2.674 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@@H]2C(F)F)O1 ZINC000336028467 134057882 /nfs/dbraw/zinc/05/78/82/134057882.db2.gz YHZOZXXQSJJLOI-VHSXEESVSA-N 1 2 233.302 2.674 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cnc(C)s2)o1 ZINC000639383193 355936154 /nfs/dbraw/zinc/93/61/54/355936154.db2.gz UJRZNOVVPIMPBL-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CCc1ccc(CNc2c[nH+]ccc2C)cn1 ZINC000351545725 356012646 /nfs/dbraw/zinc/01/26/46/356012646.db2.gz NWQKHTJTRDCVIQ-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CC(C)(C)CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000351541591 356013021 /nfs/dbraw/zinc/01/30/21/356013021.db2.gz BHAKMWQJSZPAQU-UHFFFAOYSA-N 1 2 244.342 2.784 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000335918997 356165684 /nfs/dbraw/zinc/16/56/84/356165684.db2.gz QMHGKPLYLOEJJK-VHSXEESVSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000335918997 356165688 /nfs/dbraw/zinc/16/56/88/356165688.db2.gz QMHGKPLYLOEJJK-VHSXEESVSA-N 1 2 237.347 2.597 20 0 BFADLO c1nc(C[NH+]2CC3(C2)CCCC3)cs1 ZINC000336084187 134076017 /nfs/dbraw/zinc/07/60/17/134076017.db2.gz CPVFHLQCNPVKHL-UHFFFAOYSA-N 1 2 208.330 2.519 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000639433753 356211264 /nfs/dbraw/zinc/21/12/64/356211264.db2.gz OHKUBCLXZHQPCY-IINYFYTJSA-N 1 2 247.338 2.956 20 0 BFADLO CC(=O)C[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000639433753 356211269 /nfs/dbraw/zinc/21/12/69/356211269.db2.gz OHKUBCLXZHQPCY-IINYFYTJSA-N 1 2 247.338 2.956 20 0 BFADLO CC[N@H+](C[C@@H]1CCCO1)CC(F)(F)CC ZINC000639466292 356252582 /nfs/dbraw/zinc/25/25/82/356252582.db2.gz RTFWRCHDTLKJCP-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC[N@@H+](C[C@@H]1CCCO1)CC(F)(F)CC ZINC000639466292 356252585 /nfs/dbraw/zinc/25/25/85/356252585.db2.gz RTFWRCHDTLKJCP-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Cc1[nH]c(C(=O)NCC2C[C@@H](C)C[C@H](C)C2)c[nH+]1 ZINC000617666501 356266718 /nfs/dbraw/zinc/26/67/18/356266718.db2.gz MVKQMHOOFVHJTE-UWVGGRQHSA-N 1 2 249.358 2.520 20 0 BFADLO Cc1cc(C)c(CN(C)CC(F)F)c(C)[nH+]1 ZINC000639476454 356271178 /nfs/dbraw/zinc/27/11/78/356271178.db2.gz MYBLOGYHLGOVNV-UHFFFAOYSA-N 1 2 228.286 2.704 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000639460897 356244497 /nfs/dbraw/zinc/24/44/97/356244497.db2.gz YZADFGGLHSHSIS-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000639460897 356244499 /nfs/dbraw/zinc/24/44/99/356244499.db2.gz YZADFGGLHSHSIS-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+](C[C@@H](C)OC)C(C)C ZINC000639495591 356321825 /nfs/dbraw/zinc/32/18/25/356321825.db2.gz RQIUNAUEEDWQHR-SNVBAGLBSA-N 1 2 223.307 2.777 20 0 BFADLO CCC(F)(F)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000639495591 356321827 /nfs/dbraw/zinc/32/18/27/356321827.db2.gz RQIUNAUEEDWQHR-SNVBAGLBSA-N 1 2 223.307 2.777 20 0 BFADLO CCc1nc(C)c([C@H](C)[N@H+](C)CC(C)=O)s1 ZINC000639494712 356314625 /nfs/dbraw/zinc/31/46/25/356314625.db2.gz DNOMCQKPZVKPQJ-JTQLQIEISA-N 1 2 240.372 2.596 20 0 BFADLO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(C)=O)s1 ZINC000639494712 356314626 /nfs/dbraw/zinc/31/46/26/356314626.db2.gz DNOMCQKPZVKPQJ-JTQLQIEISA-N 1 2 240.372 2.596 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000639516428 356354135 /nfs/dbraw/zinc/35/41/35/356354135.db2.gz HABULOUXOJFKJR-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000639516428 356354138 /nfs/dbraw/zinc/35/41/38/356354138.db2.gz HABULOUXOJFKJR-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCc1nc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)no1 ZINC000193720957 356355679 /nfs/dbraw/zinc/35/56/79/356355679.db2.gz FDQUFFICALGVQB-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)no1 ZINC000193720957 356355684 /nfs/dbraw/zinc/35/56/84/356355684.db2.gz FDQUFFICALGVQB-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCN(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420854847 192263985 /nfs/dbraw/zinc/26/39/85/192263985.db2.gz VHZGFVFCZCGGEF-UHFFFAOYSA-N 1 2 249.358 2.640 20 0 BFADLO CC[C@H](C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420860821 192264101 /nfs/dbraw/zinc/26/41/01/192264101.db2.gz NPWNLNSNNIRBMV-JTQLQIEISA-N 1 2 249.358 2.544 20 0 BFADLO CC[C@@H]1C[NH+](Cc2cscn2)C[C@@H](CC)O1 ZINC000420945000 192276194 /nfs/dbraw/zinc/27/61/94/192276194.db2.gz JYEKSBHCPRYEKD-VXGBXAGGSA-N 1 2 240.372 2.533 20 0 BFADLO CC1=CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000639623699 356542942 /nfs/dbraw/zinc/54/29/42/356542942.db2.gz LHCONQUUHCFFRR-UHFFFAOYSA-N 1 2 233.286 2.660 20 0 BFADLO CC1=CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000639623699 356542944 /nfs/dbraw/zinc/54/29/44/356542944.db2.gz LHCONQUUHCFFRR-UHFFFAOYSA-N 1 2 233.286 2.660 20 0 BFADLO CC(C)CN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301553063 356547444 /nfs/dbraw/zinc/54/74/44/356547444.db2.gz VYXXSGZHPSRXSP-UHFFFAOYSA-N 1 2 221.348 2.866 20 0 BFADLO CC[C@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000421207262 192313581 /nfs/dbraw/zinc/31/35/81/192313581.db2.gz VVCYHYUZPVHQJW-SMDDNHRTSA-N 1 2 249.354 2.845 20 0 BFADLO c1coc([C@H]2N(Cc3[nH]cc[nH+]3)CC23CCC3)c1 ZINC000336212102 134135141 /nfs/dbraw/zinc/13/51/41/134135141.db2.gz GQXYZXLHXFOICX-CYBMUJFWSA-N 1 2 243.310 2.730 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(C2CC2)c1 ZINC000421323162 192318328 /nfs/dbraw/zinc/31/83/28/192318328.db2.gz VSTBYNPBFQSOSP-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(C2CC2)c1 ZINC000421323162 192318331 /nfs/dbraw/zinc/31/83/31/192318331.db2.gz VSTBYNPBFQSOSP-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C(C)C)C2CC2)nn1C ZINC000421326996 192318425 /nfs/dbraw/zinc/31/84/25/192318425.db2.gz IGDJIIVMXYYLTP-UHFFFAOYSA-N 1 2 241.766 2.755 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C(C)C)C2CC2)nn1C ZINC000421326996 192318427 /nfs/dbraw/zinc/31/84/27/192318427.db2.gz IGDJIIVMXYYLTP-UHFFFAOYSA-N 1 2 241.766 2.755 20 0 BFADLO Cc1ccc(CSC[C@H]2C[C@@H](O)C2)c(C)[nH+]1 ZINC000421223186 192315713 /nfs/dbraw/zinc/31/57/13/192315713.db2.gz IBGNPZVDPNYOEW-BJHJDKERSA-N 1 2 237.368 2.703 20 0 BFADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)CC1CC1 ZINC000421318323 192317171 /nfs/dbraw/zinc/31/71/71/192317171.db2.gz DQBXLCXMLNNCAD-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)CC1CC1 ZINC000421318323 192317173 /nfs/dbraw/zinc/31/71/73/192317173.db2.gz DQBXLCXMLNNCAD-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO CCO[C@H]1CC[N@H+](CC(F)(F)CC)C[C@H]1C ZINC000639665339 356579710 /nfs/dbraw/zinc/57/97/10/356579710.db2.gz XRZGUHSCZSHZHO-MNOVXSKESA-N 1 2 235.318 2.779 20 0 BFADLO CCO[C@H]1CC[N@@H+](CC(F)(F)CC)C[C@H]1C ZINC000639665339 356579714 /nfs/dbraw/zinc/57/97/14/356579714.db2.gz XRZGUHSCZSHZHO-MNOVXSKESA-N 1 2 235.318 2.779 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@@H]2C2CC2)s1 ZINC000336216324 134137206 /nfs/dbraw/zinc/13/72/06/134137206.db2.gz SESVAUIBIBAXKS-MRVPVSSYSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@@H]2C2CC2)s1 ZINC000336216324 134137207 /nfs/dbraw/zinc/13/72/07/134137207.db2.gz SESVAUIBIBAXKS-MRVPVSSYSA-N 1 2 228.748 2.781 20 0 BFADLO CCCC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000450217296 202099576 /nfs/dbraw/zinc/09/95/76/202099576.db2.gz SUMJDYVARUTDPQ-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO CCCC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000450217296 202099579 /nfs/dbraw/zinc/09/95/79/202099579.db2.gz SUMJDYVARUTDPQ-UHFFFAOYSA-N 1 2 227.377 2.893 20 0 BFADLO O=C1CC[N@@H+](Cc2ccccc2F)C2(CCC2)C1 ZINC000581020037 356663582 /nfs/dbraw/zinc/66/35/82/356663582.db2.gz FVSRUHGKUIVPII-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO O=C1CC[N@H+](Cc2ccccc2F)C2(CCC2)C1 ZINC000581020037 356663584 /nfs/dbraw/zinc/66/35/84/356663584.db2.gz FVSRUHGKUIVPII-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO C[C@@H]([NH2+]Cc1cccs1)C(C)(F)F ZINC000389459123 356679160 /nfs/dbraw/zinc/67/91/60/356679160.db2.gz AXUPMNAJGNYGKO-SSDOTTSWSA-N 1 2 205.273 2.881 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cncs1 ZINC000389464945 356679419 /nfs/dbraw/zinc/67/94/19/356679419.db2.gz HYEUTGBCRDQVOP-BQBZGAKWSA-N 1 2 220.288 2.837 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccnc1 ZINC000389479758 356687113 /nfs/dbraw/zinc/68/71/13/356687113.db2.gz UAOAUCHBJOMCTO-IUCAKERBSA-N 1 2 214.259 2.776 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@H](C)C(C)(F)F ZINC000389480458 356687939 /nfs/dbraw/zinc/68/79/39/356687939.db2.gz FHSYPDDREPOQAI-SECBINFHSA-N 1 2 231.290 2.597 20 0 BFADLO COCc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389496937 356691818 /nfs/dbraw/zinc/69/18/18/356691818.db2.gz ZIHKTCNLIMMQEB-JTQLQIEISA-N 1 2 243.297 2.966 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2c1OCO2)C(C)(F)F ZINC000389461949 356681531 /nfs/dbraw/zinc/68/15/31/356681531.db2.gz GLCIRQAZVUMWFP-MRVPVSSYSA-N 1 2 243.253 2.549 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)nc1 ZINC000389463098 356681595 /nfs/dbraw/zinc/68/15/95/356681595.db2.gz FZZWFPBRNOMIMV-SECBINFHSA-N 1 2 214.259 2.523 20 0 BFADLO Cc1ncc(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389468673 356682195 /nfs/dbraw/zinc/68/21/95/356682195.db2.gz LUVWSQHUIXKPJX-LURJTMIESA-N 1 2 220.288 2.585 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450406975 202156221 /nfs/dbraw/zinc/15/62/21/202156221.db2.gz HGSRGFYIHHCERS-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000450406975 202156224 /nfs/dbraw/zinc/15/62/24/202156224.db2.gz HGSRGFYIHHCERS-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353192779 356708024 /nfs/dbraw/zinc/70/80/24/356708024.db2.gz LOXRYHZVCUJABB-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353192779 356708027 /nfs/dbraw/zinc/70/80/27/356708027.db2.gz LOXRYHZVCUJABB-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346212 363568738 /nfs/dbraw/zinc/56/87/38/363568738.db2.gz QQZHAWYUQYIVNG-KBPBESRZSA-N 1 2 235.302 2.579 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000054346212 363568744 /nfs/dbraw/zinc/56/87/44/363568744.db2.gz QQZHAWYUQYIVNG-KBPBESRZSA-N 1 2 235.302 2.579 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000358505426 356870524 /nfs/dbraw/zinc/87/05/24/356870524.db2.gz HXTYFDUNEAPQDX-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(c2ccon2)CC1 ZINC000639863053 356872016 /nfs/dbraw/zinc/87/20/16/356872016.db2.gz VPXPNPUOOAOTGQ-UHFFFAOYSA-N 1 2 244.285 2.899 20 0 BFADLO CC[N@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC000358627359 356874392 /nfs/dbraw/zinc/87/43/92/356874392.db2.gz WDYCURDGVJXLCT-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1nnc(C)s1)Cc1ccccc1 ZINC000358627359 356874396 /nfs/dbraw/zinc/87/43/96/356874396.db2.gz WDYCURDGVJXLCT-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CCCC[C@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000357818210 356847918 /nfs/dbraw/zinc/84/79/18/356847918.db2.gz AZTLPHXETZACOS-NSHDSACASA-N 1 2 207.321 2.800 20 0 BFADLO C[C@H]1CCCCN1c1nc(N)c2ccccc2[nH+]1 ZINC000041146385 356858807 /nfs/dbraw/zinc/85/88/07/356858807.db2.gz QBIQWTJRUVDOSL-JTQLQIEISA-N 1 2 242.326 2.591 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(F)F ZINC000450565820 202199720 /nfs/dbraw/zinc/19/97/20/202199720.db2.gz OFZDGUGUMVWCOD-SECBINFHSA-N 1 2 243.301 2.786 20 0 BFADLO CCc1nc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)no1 ZINC000361469418 356930173 /nfs/dbraw/zinc/93/01/73/356930173.db2.gz MJUCFYNFQQAFQG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)no1 ZINC000361469418 356930176 /nfs/dbraw/zinc/93/01/76/356930176.db2.gz MJUCFYNFQQAFQG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CC(C)c1nc(N2CCC[C@@](C)(F)C2)cc[nH+]1 ZINC000450559851 202195921 /nfs/dbraw/zinc/19/59/21/202195921.db2.gz QGTUHHSLPZAWRL-CYBMUJFWSA-N 1 2 237.322 2.928 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000117346047 356979104 /nfs/dbraw/zinc/97/91/04/356979104.db2.gz RAHPCSZVKHCVHJ-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000117346047 356979108 /nfs/dbraw/zinc/97/91/08/356979108.db2.gz RAHPCSZVKHCVHJ-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@@H](CO)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000450585660 202205915 /nfs/dbraw/zinc/20/59/15/202205915.db2.gz ZFFQSRUNCBQBHN-LBPRGKRZSA-N 1 2 248.301 2.581 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)CCC2CC2)s1 ZINC000450603620 202209734 /nfs/dbraw/zinc/20/97/34/202209734.db2.gz UKTOSIPNJTZLRE-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)CCC2CC2)s1 ZINC000450603620 202209737 /nfs/dbraw/zinc/20/97/37/202209737.db2.gz UKTOSIPNJTZLRE-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC[N@H+](Cc1cc[nH]n1)Cc1cccc(F)c1 ZINC000120022194 357031164 /nfs/dbraw/zinc/03/11/64/357031164.db2.gz KMAFRNHPJMDMMD-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1cc[nH]n1)Cc1cccc(F)c1 ZINC000120022194 357031167 /nfs/dbraw/zinc/03/11/67/357031167.db2.gz KMAFRNHPJMDMMD-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO Fc1ccc(Cl)cc1CNc1c[nH]c[nH+]1 ZINC000389882281 357059808 /nfs/dbraw/zinc/05/98/08/357059808.db2.gz PBTCCIKQXMUOBC-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO COc1ccc[nH+]c1NCCCC(C)(F)F ZINC000390045009 357084529 /nfs/dbraw/zinc/08/45/29/357084529.db2.gz IJKGPDMWKZIZLH-UHFFFAOYSA-N 1 2 230.258 2.938 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(CCOC)CC1 ZINC000639886330 357171462 /nfs/dbraw/zinc/17/14/62/357171462.db2.gz HGJDHJSDHDAPPS-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO C(=C/c1ccccc1)\C[NH+]1CC2(C1)CCCO2 ZINC000628426881 357257432 /nfs/dbraw/zinc/25/74/32/357257432.db2.gz RUXQHFNSSHAMMV-XBXARRHUSA-N 1 2 229.323 2.565 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000582494043 357316120 /nfs/dbraw/zinc/31/61/20/357316120.db2.gz MNVMUFSYDQLLSX-GVXVVHGQSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000582494043 357316122 /nfs/dbraw/zinc/31/61/22/357316122.db2.gz MNVMUFSYDQLLSX-GVXVVHGQSA-N 1 2 235.327 2.624 20 0 BFADLO CC1(CNc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000582522080 357322468 /nfs/dbraw/zinc/32/24/68/357322468.db2.gz GZYAGZWGMLJYKM-UHFFFAOYSA-N 1 2 231.343 2.894 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCc2ccsc2C1 ZINC000582675945 357361317 /nfs/dbraw/zinc/36/13/17/357361317.db2.gz BKXSKOUGXIMHPE-UHFFFAOYSA-N 1 2 245.351 2.718 20 0 BFADLO C[C@@H](NC(=O)C1(C2CCC2)CCC1)c1[nH]cc[nH+]1 ZINC000582677798 357367293 /nfs/dbraw/zinc/36/72/93/357367293.db2.gz VXZVBWWTTLSXHQ-SNVBAGLBSA-N 1 2 247.342 2.557 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(F)F ZINC000582765932 357384120 /nfs/dbraw/zinc/38/41/20/357384120.db2.gz AHSSDLWKRWOLPE-SECBINFHSA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(F)F ZINC000582765932 357384121 /nfs/dbraw/zinc/38/41/21/357384121.db2.gz AHSSDLWKRWOLPE-SECBINFHSA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(F)F ZINC000582765933 357384142 /nfs/dbraw/zinc/38/41/42/357384142.db2.gz AHSSDLWKRWOLPE-VIFPVBQESA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(F)F ZINC000582765933 357384143 /nfs/dbraw/zinc/38/41/43/357384143.db2.gz AHSSDLWKRWOLPE-VIFPVBQESA-N 1 2 239.269 2.696 20 0 BFADLO CCCOc1cc(C)ccc1[NH2+]C[C@@H](C)CO ZINC000157967657 538845144 /nfs/dbraw/zinc/84/51/44/538845144.db2.gz XCFOAGRBBKJBBC-GFCCVEGCSA-N 1 2 237.343 2.824 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H](C)CCC)no1 ZINC000054989427 363583503 /nfs/dbraw/zinc/58/35/03/363583503.db2.gz BFOBNXAQVLLQKP-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H](C)CCC)no1 ZINC000054989427 363583505 /nfs/dbraw/zinc/58/35/05/363583505.db2.gz BFOBNXAQVLLQKP-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CCc1cnc(C[NH2+]Cc2cccc(O)c2)s1 ZINC000230706936 357572408 /nfs/dbraw/zinc/57/24/08/357572408.db2.gz AGUZXVFTYWNZPK-UHFFFAOYSA-N 1 2 248.351 2.701 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(F)c(F)c1 ZINC000192147477 357824321 /nfs/dbraw/zinc/82/43/21/357824321.db2.gz LRMQIEPJHRPSOZ-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[N@H+](Cc1ccc(Cl)cc1)Cc1ncccn1 ZINC000191920982 357805299 /nfs/dbraw/zinc/80/52/99/357805299.db2.gz DFBLUEAIJWONBG-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ncccn1 ZINC000191920982 357805301 /nfs/dbraw/zinc/80/53/01/357805301.db2.gz DFBLUEAIJWONBG-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cocn2)o1 ZINC000397991000 357821409 /nfs/dbraw/zinc/82/14/09/357821409.db2.gz XDILRGFHMDCGJB-JOYOIKCWSA-N 1 2 232.283 2.681 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1cccc(F)c1F ZINC000192162805 357825519 /nfs/dbraw/zinc/82/55/19/357825519.db2.gz UBGFYNXGPBVNQL-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CCN(C)c1ccc(CNc2cccnc2)c[nH+]1 ZINC000191511550 357783089 /nfs/dbraw/zinc/78/30/89/357783089.db2.gz GKKNEPBWMGHKOH-UHFFFAOYSA-N 1 2 242.326 2.545 20 0 BFADLO Cc1conc1NCc1c[nH+]c2c(C)cccn12 ZINC000191559406 357785357 /nfs/dbraw/zinc/78/53/57/357785357.db2.gz MONSHGMIVZNYAV-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO COc1cccc2c1cc[nH+]c2NC[C@@H](C)OC ZINC000234762510 357826802 /nfs/dbraw/zinc/82/68/02/357826802.db2.gz WMXCYXOIOMPDSM-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CCO)CC(F)F ZINC000193023690 357864824 /nfs/dbraw/zinc/86/48/24/357864824.db2.gz QNTNBGSKRYNDDJ-VXGBXAGGSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000193023690 357864827 /nfs/dbraw/zinc/86/48/27/357864827.db2.gz QNTNBGSKRYNDDJ-VXGBXAGGSA-N 1 2 247.329 2.538 20 0 BFADLO CC[C@@H]1CCC[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000193023531 357865026 /nfs/dbraw/zinc/86/50/26/357865026.db2.gz MOPBHRGWFLSYCV-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@@H]1CCC[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000193023531 357865029 /nfs/dbraw/zinc/86/50/29/357865029.db2.gz MOPBHRGWFLSYCV-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO CCC(CC)[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000037104069 358064631 /nfs/dbraw/zinc/06/46/31/358064631.db2.gz JJVTUZUKGNOOHF-UHFFFAOYSA-N 1 2 245.330 2.571 20 0 BFADLO CCn1ccnc1C[NH2+]Cc1ccccc1Cl ZINC000051920777 358100692 /nfs/dbraw/zinc/10/06/92/358100692.db2.gz CYFVATWFGVMEMB-UHFFFAOYSA-N 1 2 249.745 2.846 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000610736318 358129742 /nfs/dbraw/zinc/12/97/42/358129742.db2.gz USDWZYZYZFCIJO-CYBMUJFWSA-N 1 2 249.354 2.672 20 0 BFADLO CCN(CCCn1cc[nH+]c1)[C@H](C)C(F)(F)F ZINC000640053299 358141264 /nfs/dbraw/zinc/14/12/64/358141264.db2.gz MVRWMBVEMBKUSO-SNVBAGLBSA-N 1 2 249.280 2.546 20 0 BFADLO CC1(F)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000640071704 358162489 /nfs/dbraw/zinc/16/24/89/358162489.db2.gz RESSMMYODZIKHT-UHFFFAOYSA-N 1 2 238.306 2.876 20 0 BFADLO CC(C)=CCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000450669232 202229635 /nfs/dbraw/zinc/22/96/35/202229635.db2.gz BQTDLGCRIZFXFA-NSHDSACASA-N 1 2 219.332 2.754 20 0 BFADLO CCc1cc(CCC[N@@H+]2CCC=C(F)C2)on1 ZINC000450643926 202223784 /nfs/dbraw/zinc/22/37/84/202223784.db2.gz MKMHLTNIYLVDDF-UHFFFAOYSA-N 1 2 238.306 2.729 20 0 BFADLO CCc1cc(CCC[N@H+]2CCC=C(F)C2)on1 ZINC000450643926 202223787 /nfs/dbraw/zinc/22/37/87/202223787.db2.gz MKMHLTNIYLVDDF-UHFFFAOYSA-N 1 2 238.306 2.729 20 0 BFADLO CC[C@H](NC(=O)c1ccsc1C)c1[nH]cc[nH+]1 ZINC000450674833 202232419 /nfs/dbraw/zinc/23/24/19/202232419.db2.gz TVJBEJSYAFRLEV-JTQLQIEISA-N 1 2 249.339 2.661 20 0 BFADLO CC(C)[C@@H]1C[C@@H](CNc2cccc[nH+]2)CCO1 ZINC000450734043 202249877 /nfs/dbraw/zinc/24/98/77/202249877.db2.gz BAWXUZLOANKFPE-STQMWFEESA-N 1 2 234.343 2.945 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000172653968 134266894 /nfs/dbraw/zinc/26/68/94/134266894.db2.gz GRAUEUPLMPUSCM-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000172653968 134266895 /nfs/dbraw/zinc/26/68/95/134266895.db2.gz GRAUEUPLMPUSCM-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CC(C)Oc1ccccc1C[N@@H+]1CCOC[C@H]1C ZINC000055901961 363602577 /nfs/dbraw/zinc/60/25/77/363602577.db2.gz KOVZJDLXHBOEKA-CYBMUJFWSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@H+]1CCOC[C@H]1C ZINC000055901961 363602579 /nfs/dbraw/zinc/60/25/79/363602579.db2.gz KOVZJDLXHBOEKA-CYBMUJFWSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC000055901962 363603176 /nfs/dbraw/zinc/60/31/76/363603176.db2.gz KOVZJDLXHBOEKA-ZDUSSCGKSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC000055901962 363603182 /nfs/dbraw/zinc/60/31/82/363603182.db2.gz KOVZJDLXHBOEKA-ZDUSSCGKSA-N 1 2 249.354 2.695 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000042223782 358343265 /nfs/dbraw/zinc/34/32/65/358343265.db2.gz UFVVLNGKQGZVAQ-AWEZNQCLSA-N 1 2 249.354 2.591 20 0 BFADLO CC(C)=Cc1nc(CCc2[nH+]cccc2C)no1 ZINC000351128578 366418736 /nfs/dbraw/zinc/41/87/36/366418736.db2.gz JFCTWHMEMRXSPB-UHFFFAOYSA-N 1 2 243.310 2.981 20 0 BFADLO CCC1(c2nc(Cc3ccc[nH+]c3C)no2)CC1 ZINC000351237851 366456807 /nfs/dbraw/zinc/45/68/07/366456807.db2.gz RRLVURNPLXPRND-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000035019264 358450533 /nfs/dbraw/zinc/45/05/33/358450533.db2.gz MZPXMEYCFHUUGJ-GXTWGEPZSA-N 1 2 249.354 2.925 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2ccccc2n1 ZINC000013208870 358432636 /nfs/dbraw/zinc/43/26/36/358432636.db2.gz MAJBLSDHYUPQQD-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO CC[C@@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351225574 366453659 /nfs/dbraw/zinc/45/36/59/366453659.db2.gz DCKQVSYQZAHNIZ-SECBINFHSA-N 1 2 231.299 2.877 20 0 BFADLO Cc1nc(C[N@H+](Cc2ccccc2)C(C)C)no1 ZINC000045915862 358567068 /nfs/dbraw/zinc/56/70/68/358567068.db2.gz HUZYNXATUNPGNC-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1nc(C[N@@H+](Cc2ccccc2)C(C)C)no1 ZINC000045915862 358567069 /nfs/dbraw/zinc/56/70/69/358567069.db2.gz HUZYNXATUNPGNC-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO CCc1oc(C(=O)Nc2cc[nH+]cc2O)cc1C ZINC000131277664 358667333 /nfs/dbraw/zinc/66/73/33/358667333.db2.gz OVBVHSVEHQJKNF-UHFFFAOYSA-N 1 2 246.266 2.503 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000049371017 358684522 /nfs/dbraw/zinc/68/45/22/358684522.db2.gz JYHCXUJNBKNAKO-OCCSQVGLSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1cc2[nH+]cn(C[C@@H]3CCOC3)c2cc1C ZINC000131894656 358698950 /nfs/dbraw/zinc/69/89/50/358698950.db2.gz MMNWZHSQPPXMKP-LBPRGKRZSA-N 1 2 230.311 2.690 20 0 BFADLO CCCc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715024 358699874 /nfs/dbraw/zinc/69/98/74/358699874.db2.gz VWZMKAVBLBBIPN-UHFFFAOYSA-N 1 2 215.300 2.974 20 0 BFADLO Cc1cc(N[C@H]2CCc3ccccc3C2)nc[nH+]1 ZINC000051632404 358757148 /nfs/dbraw/zinc/75/71/48/358757148.db2.gz CDQFNMMOMYLTFA-AWEZNQCLSA-N 1 2 239.322 2.754 20 0 BFADLO CCn1cc[nH+]c1CNc1ccccc1COC ZINC000051921758 358767336 /nfs/dbraw/zinc/76/73/36/358767336.db2.gz HOUQGJKRSQSHRS-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1)C(=O)OC ZINC000134945945 358811731 /nfs/dbraw/zinc/81/17/31/358811731.db2.gz NQCIZPSCKVNHPK-UONOGXRCSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1nccnc1Nc1ccc2c(c1)CCC[NH2+]2 ZINC000214308527 358778208 /nfs/dbraw/zinc/77/82/08/358778208.db2.gz SJSDSIDSQIGVLB-UHFFFAOYSA-N 1 2 240.310 2.887 20 0 BFADLO Cc1ccc(N[C@H](C)C2CCOCC2)c[nH+]1 ZINC000134314661 358786821 /nfs/dbraw/zinc/78/68/21/358786821.db2.gz AIKLKADTJMIMCN-LLVKDONJSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1 ZINC000054459588 358863151 /nfs/dbraw/zinc/86/31/51/358863151.db2.gz QHVBRXJSKPLFIH-LBPRGKRZSA-N 1 2 227.311 2.636 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000136148425 358865265 /nfs/dbraw/zinc/86/52/65/358865265.db2.gz BNDIUCAYSISBRY-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000136148425 358865267 /nfs/dbraw/zinc/86/52/67/358865267.db2.gz BNDIUCAYSISBRY-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccncc1CNc1c[nH+]ccc1C ZINC000135460645 358839911 /nfs/dbraw/zinc/83/99/11/358839911.db2.gz ACWVNDVMPOVXRP-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)CC1CCCCCC1 ZINC000135810110 358851745 /nfs/dbraw/zinc/85/17/45/358851745.db2.gz NLTYCRCTQREYFQ-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CC[C@@H](Nc1cc(C(C)C)ncn1)c1[nH]cc[nH+]1 ZINC000139770980 358913428 /nfs/dbraw/zinc/91/34/28/358913428.db2.gz KSLSLGXZTJKCJH-SNVBAGLBSA-N 1 2 245.330 2.886 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1nccs1 ZINC000177363540 134297790 /nfs/dbraw/zinc/29/77/90/134297790.db2.gz ZRUBODVNJTWZRM-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1nccs1 ZINC000177363540 134297791 /nfs/dbraw/zinc/29/77/91/134297791.db2.gz ZRUBODVNJTWZRM-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](Cc1nc([C@H](C)C2CC2)no1)n1cc[nH+]c1 ZINC000351419622 366524437 /nfs/dbraw/zinc/52/44/37/366524437.db2.gz DMGKKFKNXPBBQB-NXEZZACHSA-N 1 2 246.314 2.583 20 0 BFADLO CCC(CC)c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351434215 366526722 /nfs/dbraw/zinc/52/67/22/366526722.db2.gz IMSWABKGEDAEBL-JTQLQIEISA-N 1 2 248.330 2.973 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403430087 358996745 /nfs/dbraw/zinc/99/67/45/358996745.db2.gz XWFIDXQOSDIKAZ-GRYCIOLGSA-N 1 2 232.327 2.938 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403430095 358996805 /nfs/dbraw/zinc/99/68/05/358996805.db2.gz XWFIDXQOSDIKAZ-UTUOFQBUSA-N 1 2 232.327 2.938 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1nccn1C ZINC000070443326 359053294 /nfs/dbraw/zinc/05/32/94/359053294.db2.gz GXCVVEOMCKEZHM-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1nccs1 ZINC000070717635 359063047 /nfs/dbraw/zinc/06/30/47/359063047.db2.gz NRDMZGWIMSKFGM-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)[C@H]1C ZINC000248340115 359265534 /nfs/dbraw/zinc/26/55/34/359265534.db2.gz ILVGKBMZUKXGSL-ZJUUUORDSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)[C@H]1C ZINC000248340115 359265538 /nfs/dbraw/zinc/26/55/38/359265538.db2.gz ILVGKBMZUKXGSL-ZJUUUORDSA-N 1 2 237.347 2.597 20 0 BFADLO CC(C)([NH2+]Cc1ccc(F)cc1)C(F)F ZINC000308981784 491141814 /nfs/dbraw/zinc/14/18/14/491141814.db2.gz IJEHEVWRPKYXIW-UHFFFAOYSA-N 1 2 217.234 2.959 20 0 BFADLO Fc1ccc2c(c1)OCC[N@@H+](CC1(F)CC1)C2 ZINC000628495724 359697289 /nfs/dbraw/zinc/69/72/89/359697289.db2.gz YLVWGYBBAMVEON-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO Fc1ccc2c(c1)OCC[N@H+](CC1(F)CC1)C2 ZINC000628495724 359697293 /nfs/dbraw/zinc/69/72/93/359697293.db2.gz YLVWGYBBAMVEON-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO CCc1nocc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000612227084 359740557 /nfs/dbraw/zinc/74/05/57/359740557.db2.gz QBNSRSLUAPJAOH-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCCC2(CCC2)C1 ZINC000450885893 202297887 /nfs/dbraw/zinc/29/78/87/202297887.db2.gz VORAGSUCYSJAGB-SNVBAGLBSA-N 1 2 237.372 2.865 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCCC2(CCC2)C1 ZINC000450885893 202297889 /nfs/dbraw/zinc/29/78/89/202297889.db2.gz VORAGSUCYSJAGB-SNVBAGLBSA-N 1 2 237.372 2.865 20 0 BFADLO FC1(F)CCCC[C@H]1COCc1[nH]cc[nH+]1 ZINC000450897891 202304074 /nfs/dbraw/zinc/30/40/74/202304074.db2.gz QKEGHBGISGNENI-VIFPVBQESA-N 1 2 230.258 2.752 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)C1(O)CCCC1 ZINC000450910932 202304724 /nfs/dbraw/zinc/30/47/24/202304724.db2.gz BROBHFKIZKILCA-UHFFFAOYSA-N 1 2 234.343 2.825 20 0 BFADLO CC[C@@H]1CC[C@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000450909893 202306645 /nfs/dbraw/zinc/30/66/45/202306645.db2.gz UNUUJELBZAFROK-NWDGAFQWSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)nc[nH+]1 ZINC000450930969 202312328 /nfs/dbraw/zinc/31/23/28/202312328.db2.gz LAQAJMKIYRIFKH-QVHKTLOISA-N 1 2 243.354 2.657 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(F)(F)[C@H](C)C1 ZINC000578522657 366588865 /nfs/dbraw/zinc/58/88/65/366588865.db2.gz SBFLKKOTXMCVLT-SECBINFHSA-N 1 2 241.285 2.575 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(F)F ZINC000451173941 202369990 /nfs/dbraw/zinc/36/99/90/202369990.db2.gz BZHYIBSBBVMMAE-XVKPBYJWSA-N 1 2 232.249 2.915 20 0 BFADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451115266 202355577 /nfs/dbraw/zinc/35/55/77/202355577.db2.gz NUHPEJUUPCMRKE-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451115266 202355580 /nfs/dbraw/zinc/35/55/80/202355580.db2.gz NUHPEJUUPCMRKE-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO C[C@H]1CCC[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000578634754 366613892 /nfs/dbraw/zinc/61/38/92/366613892.db2.gz IBLRSCQPZSRGHW-WDEREUQCSA-N 1 2 249.358 2.587 20 0 BFADLO CC(C)C[N@H+](C[C@H](C)CO)c1ccccc1 ZINC000309193117 491146207 /nfs/dbraw/zinc/14/62/07/491146207.db2.gz JDBJZDQPHDCLNK-ZDUSSCGKSA-N 1 2 221.344 2.777 20 0 BFADLO CC(C)C[N@@H+](C[C@H](C)CO)c1ccccc1 ZINC000309193117 491146208 /nfs/dbraw/zinc/14/62/08/491146208.db2.gz JDBJZDQPHDCLNK-ZDUSSCGKSA-N 1 2 221.344 2.777 20 0 BFADLO CC[C@@H]1CC[C@@H]1Nc1ccc(OC)c[nH+]1 ZINC000309248904 491146724 /nfs/dbraw/zinc/14/67/24/491146724.db2.gz ZSLISCKXEVGOAE-KOLCDFICSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1ncccc1NCc1c[nH+]cn1C(C)C ZINC000091495679 360117538 /nfs/dbraw/zinc/11/75/38/360117538.db2.gz XXQFRHTWDPTINU-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000091800631 360132183 /nfs/dbraw/zinc/13/21/83/360132183.db2.gz IQTXHHRPDMZBHS-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000091800631 360132187 /nfs/dbraw/zinc/13/21/87/360132187.db2.gz IQTXHHRPDMZBHS-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO FC(F)(F)CN(Cc1c[nH+]c[nH]1)CC1CCC1 ZINC000091863335 360133054 /nfs/dbraw/zinc/13/30/54/360133054.db2.gz DVOIWQPVQNMQMT-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)CN(Cc1c[nH]c[nH+]1)CC1CCC1 ZINC000091863335 360133058 /nfs/dbraw/zinc/13/30/58/360133058.db2.gz DVOIWQPVQNMQMT-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO COCC[N@H+](Cc1ccco1)Cc1ccc(C)o1 ZINC000092561804 360180214 /nfs/dbraw/zinc/18/02/14/360180214.db2.gz AKRQSGRPQFIOEA-UHFFFAOYSA-N 1 2 249.310 2.830 20 0 BFADLO COCC[N@@H+](Cc1ccco1)Cc1ccc(C)o1 ZINC000092561804 360180218 /nfs/dbraw/zinc/18/02/18/360180218.db2.gz AKRQSGRPQFIOEA-UHFFFAOYSA-N 1 2 249.310 2.830 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccc(CC)o2)CCO1 ZINC000093508694 360252901 /nfs/dbraw/zinc/25/29/01/360252901.db2.gz BKLDXJXDDUQOQY-ZDUSSCGKSA-N 1 2 237.343 2.843 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccc(CC)o2)CCO1 ZINC000093508694 360252903 /nfs/dbraw/zinc/25/29/03/360252903.db2.gz BKLDXJXDDUQOQY-ZDUSSCGKSA-N 1 2 237.343 2.843 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@H](C)C1 ZINC000122480231 360267443 /nfs/dbraw/zinc/26/74/43/360267443.db2.gz DVVMIYGHNYHTMH-UWVGGRQHSA-N 1 2 206.289 2.691 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000096593276 360350025 /nfs/dbraw/zinc/35/00/25/360350025.db2.gz HBENKOFQGMLWKP-QWHCGFSZSA-N 1 2 249.354 2.906 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094518789 360309866 /nfs/dbraw/zinc/30/98/66/360309866.db2.gz JPWCIEFZRDFDAQ-UHFFFAOYSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1ccc(NC(=O)c2ccco2)c(C)[nH+]1 ZINC000094667173 360315322 /nfs/dbraw/zinc/31/53/22/360315322.db2.gz YMLYLAULMMAAFS-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(OC)ccc1F ZINC000094854908 360322560 /nfs/dbraw/zinc/32/25/60/360322560.db2.gz ULZVXNRHMXSFRX-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079055 360360754 /nfs/dbraw/zinc/36/07/54/360360754.db2.gz LDMJRIIHKSPQPT-CMPLNLGQSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079055 360360760 /nfs/dbraw/zinc/36/07/60/360360760.db2.gz LDMJRIIHKSPQPT-CMPLNLGQSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1ccc(C[N@H+](Cc2ccno2)C2CC2)o1 ZINC000614121940 363722959 /nfs/dbraw/zinc/72/29/59/363722959.db2.gz SLOVRHMXRSBULX-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1ccc(C[N@@H+](Cc2ccno2)C2CC2)o1 ZINC000614121940 363722964 /nfs/dbraw/zinc/72/29/64/363722964.db2.gz SLOVRHMXRSBULX-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO COCCCC[NH2+]c1ccc(C)cc1OC ZINC000132885620 200674077 /nfs/dbraw/zinc/67/40/77/200674077.db2.gz HKUXBBRSOUQDHA-UHFFFAOYSA-N 1 2 223.316 2.842 20 0 BFADLO Fc1c(Cl)cccc1C[NH2+]Cc1cocn1 ZINC000309595100 491152838 /nfs/dbraw/zinc/15/28/38/491152838.db2.gz UHQHMSABAXLKKT-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CC(C)[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266029237 219880657 /nfs/dbraw/zinc/88/06/57/219880657.db2.gz DLESCVBTUWMAQC-JTQLQIEISA-N 1 2 231.299 2.565 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000306613820 361085682 /nfs/dbraw/zinc/08/56/82/361085682.db2.gz LEQGJATXOIYOHP-RBXMUDONSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@H]1C[C@@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309745177 491155890 /nfs/dbraw/zinc/15/58/90/491155890.db2.gz FJMPBTQGFBGIRC-VHSXEESVSA-N 1 2 219.332 2.842 20 0 BFADLO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cocn1 ZINC000428563996 201027279 /nfs/dbraw/zinc/02/72/79/201027279.db2.gz WVDABCSRZRAQRQ-CYBMUJFWSA-N 1 2 244.294 2.596 20 0 BFADLO CCC(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000428688270 201035630 /nfs/dbraw/zinc/03/56/30/201035630.db2.gz GXMNLAOQEQTRDA-UHFFFAOYSA-N 1 2 233.359 2.932 20 0 BFADLO CC[C@@H](F)C[N@H+](C)Cc1nc2ccccc2n1C ZINC000428736649 201040183 /nfs/dbraw/zinc/04/01/83/201040183.db2.gz ZXBWUCNNRNWHFF-LLVKDONJSA-N 1 2 249.333 2.753 20 0 BFADLO CC[C@@H](F)C[N@@H+](C)Cc1nc2ccccc2n1C ZINC000428736649 201040185 /nfs/dbraw/zinc/04/01/85/201040185.db2.gz ZXBWUCNNRNWHFF-LLVKDONJSA-N 1 2 249.333 2.753 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@H](C)C(F)F ZINC000309860209 491157548 /nfs/dbraw/zinc/15/75/48/491157548.db2.gz MCUBLOUAIXHMHM-SECBINFHSA-N 1 2 229.270 2.747 20 0 BFADLO COc1ccc(NC2CC(C(C)C)C2)[nH+]c1 ZINC000309867426 491157710 /nfs/dbraw/zinc/15/77/10/491157710.db2.gz PCFWFMDFRVLNFX-UHFFFAOYSA-N 1 2 220.316 2.937 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429578068 201119835 /nfs/dbraw/zinc/11/98/35/201119835.db2.gz RNWCRHUPMFHSSN-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)no1 ZINC000429578068 201119837 /nfs/dbraw/zinc/11/98/37/201119837.db2.gz RNWCRHUPMFHSSN-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO COc1ccc2[nH+]c(NCCF)ccc2c1 ZINC000309916976 491158165 /nfs/dbraw/zinc/15/81/65/491158165.db2.gz PXSXVSNNPUPJRE-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cocn2)c1C ZINC000430097901 201142160 /nfs/dbraw/zinc/14/21/60/201142160.db2.gz CITOBKDSRGTLBO-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cocn2)c1C ZINC000430097901 201142161 /nfs/dbraw/zinc/14/21/61/201142161.db2.gz CITOBKDSRGTLBO-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cc(N(C)Cc2cc(F)cc(F)c2)nc[nH+]1 ZINC000433796087 201194135 /nfs/dbraw/zinc/19/41/35/201194135.db2.gz IYFIIJLCMXMUGH-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO COCCCNc1ccc(-c2ccccc2)c[nH+]1 ZINC000629690049 361625221 /nfs/dbraw/zinc/62/52/21/361625221.db2.gz FNNISUWPVYOANJ-UHFFFAOYSA-N 1 2 242.322 2.619 20 0 BFADLO CNc1ccc(-c2cccc3cccnc32)c[nH+]1 ZINC000629714252 361651140 /nfs/dbraw/zinc/65/11/40/361651140.db2.gz BBSULWTUUGHDFA-UHFFFAOYSA-N 1 2 235.290 2.760 20 0 BFADLO CNc1ccc(-c2ccc(OC(C)C)cc2)c[nH+]1 ZINC000629733543 361672977 /nfs/dbraw/zinc/67/29/77/361672977.db2.gz XFHWPIQPVOBQLL-UHFFFAOYSA-N 1 2 242.322 2.999 20 0 BFADLO COCCCNc1ccc(-c2cocc2C)c[nH+]1 ZINC000629738235 361674177 /nfs/dbraw/zinc/67/41/77/361674177.db2.gz JVUOHRQRTNVCBH-UHFFFAOYSA-N 1 2 246.310 2.520 20 0 BFADLO Cc1[nH]cc(-c2ccc(OC3CC3)cc2)[nH+]1 ZINC000629754833 361685142 /nfs/dbraw/zinc/68/51/42/361685142.db2.gz KBURKVYRIHWJLZ-UHFFFAOYSA-N 1 2 214.268 2.926 20 0 BFADLO Cc1cc(N)nc(SCC23CCC(CC2)C3)[nH+]1 ZINC000436475254 201328880 /nfs/dbraw/zinc/32/88/80/201328880.db2.gz NYPYQYAKXBCQKO-UHFFFAOYSA-N 1 2 249.383 2.870 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@H](C)[C@@H](C)O1 ZINC000438353604 201405488 /nfs/dbraw/zinc/40/54/88/201405488.db2.gz JXEBMYCIQDFWLI-OPRDCNLKSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@H](C)[C@@H](C)O1 ZINC000438353604 201405491 /nfs/dbraw/zinc/40/54/91/201405491.db2.gz JXEBMYCIQDFWLI-OPRDCNLKSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H](NC(=O)C1CCC2(CC2)CC1)c1[nH]cc[nH+]1 ZINC000615157412 364547159 /nfs/dbraw/zinc/54/71/59/364547159.db2.gz DFERZUOZDZCVLO-SNVBAGLBSA-N 1 2 247.342 2.557 20 0 BFADLO CC[C@@H](Cc1ccccc1)c1nc(C[NH2+]C)no1 ZINC000573305222 364793608 /nfs/dbraw/zinc/79/36/08/364793608.db2.gz IZZMBWSCMQARKU-LBPRGKRZSA-N 1 2 245.326 2.525 20 0 BFADLO CCc1nc(CNc2cc[nH+]cc2F)cs1 ZINC000276842386 364760551 /nfs/dbraw/zinc/76/05/51/364760551.db2.gz JACBIIMDDQZYEC-UHFFFAOYSA-N 1 2 237.303 2.852 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2ccoc21 ZINC000459544365 219957095 /nfs/dbraw/zinc/95/70/95/219957095.db2.gz KCQFLQDQEFWOQZ-UHFFFAOYSA-N 1 2 211.211 2.788 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000573471690 364841916 /nfs/dbraw/zinc/84/19/16/364841916.db2.gz HWDTYTOIWIQZDJ-MNOVXSKESA-N 1 2 249.358 2.803 20 0 BFADLO CCCCc1noc([C@H](C)[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000573774207 364914050 /nfs/dbraw/zinc/91/40/50/364914050.db2.gz QYKBNYZGCBAOCH-MXWKQRLJSA-N 1 2 237.347 2.956 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC1(C)C ZINC000574530759 365084623 /nfs/dbraw/zinc/08/46/23/365084623.db2.gz GBVTWVZLMIAQMP-JTQLQIEISA-N 1 2 205.305 2.694 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC1(C)C ZINC000574530760 365085249 /nfs/dbraw/zinc/08/52/49/365085249.db2.gz GBVTWVZLMIAQMP-SNVBAGLBSA-N 1 2 205.305 2.694 20 0 BFADLO CC(C)C[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000443884773 193032116 /nfs/dbraw/zinc/03/21/16/193032116.db2.gz YSZIBRQWTDXSMK-LLVKDONJSA-N 1 2 229.327 2.898 20 0 BFADLO CC(C)[C@@H](C)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000443415021 193019121 /nfs/dbraw/zinc/01/91/21/193019121.db2.gz PVSBDSXJOWYZNH-SECBINFHSA-N 1 2 235.306 2.591 20 0 BFADLO CCc1nc(C[NH2+][C@@H]2CCC[C@@H]2F)cs1 ZINC000339583251 365468413 /nfs/dbraw/zinc/46/84/13/365468413.db2.gz HUAYPOZMCSVYFP-VHSXEESVSA-N 1 2 228.336 2.686 20 0 BFADLO CC[C@@](C)([NH2+]CC[C@@H]1CCOC1)C(F)(F)F ZINC000576194298 365516740 /nfs/dbraw/zinc/51/67/40/365516740.db2.gz OVNGMXKFFHCEKF-NXEZZACHSA-N 1 2 239.281 2.734 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000180045843 541506036 /nfs/dbraw/zinc/50/60/36/541506036.db2.gz ZUUXIZLGGMABKQ-VIFPVBQESA-N 1 2 233.290 2.708 20 0 BFADLO Cc1c[nH+]c(C)nc1NCc1cccc(Cl)c1 ZINC000579779852 367004943 /nfs/dbraw/zinc/00/49/43/367004943.db2.gz QUXVRUKGBYALHQ-UHFFFAOYSA-N 1 2 247.729 2.781 20 0 BFADLO Cc1oncc1C[N@@H+](C)Cc1ccccc1F ZINC000185193004 367125476 /nfs/dbraw/zinc/12/54/76/367125476.db2.gz NOPDJYZFVXVXSN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1oncc1C[N@H+](C)Cc1ccccc1F ZINC000185193004 367125481 /nfs/dbraw/zinc/12/54/81/367125481.db2.gz NOPDJYZFVXVXSN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(NC(=O)NC[C@@H]2CC23CC3)c(C)[nH+]1 ZINC000580882050 367196227 /nfs/dbraw/zinc/19/62/27/367196227.db2.gz NZIPJNRPNNTMKZ-NSHDSACASA-N 1 2 245.326 2.620 20 0 BFADLO CC(C)c1nc(NC2(CF)CCC2)cc[nH+]1 ZINC000581366936 367399137 /nfs/dbraw/zinc/39/91/37/367399137.db2.gz BVXOUAPLMSXSCZ-UHFFFAOYSA-N 1 2 223.295 2.904 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1cccc(F)c1 ZINC000195514982 367366445 /nfs/dbraw/zinc/36/64/45/367366445.db2.gz USBPELOVYVECLH-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO Cc1cc(CNc2cc[nH+]cc2F)c(C)s1 ZINC000381600771 367436297 /nfs/dbraw/zinc/43/62/97/367436297.db2.gz NOTYSUOAIYBCTB-UHFFFAOYSA-N 1 2 236.315 2.933 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)no1 ZINC000382341700 367508921 /nfs/dbraw/zinc/50/89/21/367508921.db2.gz CHMUTAISDZYWFH-KXUCPTDWSA-N 1 2 212.268 2.524 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncccn1)c1cccc(F)c1 ZINC000581618650 367638006 /nfs/dbraw/zinc/63/80/06/367638006.db2.gz JQFORVYUQQOZLP-CYBMUJFWSA-N 1 2 245.301 2.857 20 0 BFADLO CC(C)c1cc(=NCc2c[nH+]cn2C(C)C)[nH]o1 ZINC000581721068 367783646 /nfs/dbraw/zinc/78/36/46/367783646.db2.gz CUSGCSARVABWAM-UHFFFAOYSA-N 1 2 248.330 2.609 20 0 BFADLO Cc1nc(CNc2c[nH+]cc(N(C)C)c2)cs1 ZINC000630956341 368149509 /nfs/dbraw/zinc/14/95/09/368149509.db2.gz CETFDFDNKKFQDI-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000056282216 368466961 /nfs/dbraw/zinc/46/69/61/368466961.db2.gz FLIBAYULJPCGLW-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000056282216 368466969 /nfs/dbraw/zinc/46/69/69/368466969.db2.gz FLIBAYULJPCGLW-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO CC[C@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000057860240 368502043 /nfs/dbraw/zinc/50/20/43/368502043.db2.gz OMWMSJZZTFKOBV-OAHLLOKOSA-N 1 2 232.371 2.775 20 0 BFADLO Cc1cc(N)nc(SCC2=CCCCC2)[nH+]1 ZINC000567072555 326110663 /nfs/dbraw/zinc/11/06/63/326110663.db2.gz ZAKUMXXQXGEJLC-UHFFFAOYSA-N 1 2 235.356 2.790 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2nc(C)no2)cc1 ZINC000069096246 368746806 /nfs/dbraw/zinc/74/68/06/368746806.db2.gz BYOXKFVPZZFCQG-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(OC)c1C ZINC000623645933 368965935 /nfs/dbraw/zinc/96/59/35/368965935.db2.gz UNJBDRZOJACMJB-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619015523 369258388 /nfs/dbraw/zinc/25/83/88/369258388.db2.gz DOZJLFRVODRWML-GHMZBOCLSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1cc(F)c(C[NH2+]CCF)c(Cl)c1 ZINC000459526298 203296296 /nfs/dbraw/zinc/29/62/96/203296296.db2.gz IFYUAIULHXXYQF-UHFFFAOYSA-N 1 2 219.662 2.847 20 0 BFADLO CCOC1C[NH+](Cc2c(F)cccc2CC)C1 ZINC000459604225 203315223 /nfs/dbraw/zinc/31/52/23/203315223.db2.gz JDLLXFDWWZIZGK-UHFFFAOYSA-N 1 2 237.318 2.609 20 0 BFADLO COC1(C)C[NH+](Cc2ccc3occc3c2)C1 ZINC000459583464 203307539 /nfs/dbraw/zinc/30/75/39/203307539.db2.gz NGTJVPIVMUTFID-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO CCCOc1cncc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000623674622 369358870 /nfs/dbraw/zinc/35/88/70/369358870.db2.gz KJQCKYNWFAGPJB-UHFFFAOYSA-N 1 2 246.314 2.514 20 0 BFADLO CCC(F)(F)CNCc1c[nH+]cn1C(C)C ZINC000623679364 369379046 /nfs/dbraw/zinc/37/90/46/369379046.db2.gz SSOKWFNPVGCCOR-UHFFFAOYSA-N 1 2 231.290 2.599 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000623679148 369379063 /nfs/dbraw/zinc/37/90/63/369379063.db2.gz JZYCCJWAYFIOCW-QMMMGPOBSA-N 1 2 232.249 2.917 20 0 BFADLO CCOC1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000459616621 203315634 /nfs/dbraw/zinc/31/56/34/203315634.db2.gz YFRPTRXCRAIQBS-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCOC1C[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000459613802 203315766 /nfs/dbraw/zinc/31/57/66/203315766.db2.gz VZRVDKKYLOEVAK-ARJAWSKDSA-N 1 2 235.302 2.560 20 0 BFADLO CCCC[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459611777 203316889 /nfs/dbraw/zinc/31/68/89/203316889.db2.gz QNBCRDUFVXEWFH-CQSZACIVSA-N 1 2 249.354 2.907 20 0 BFADLO CCOc1ccc(C[NH+]2CC(C)(OCC)C2)cc1 ZINC000459619695 203317825 /nfs/dbraw/zinc/31/78/25/203317825.db2.gz UXKCPMVXCAVZEH-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO O=C(Nc1ccccc1)c1ccc2[nH+]ccn2c1 ZINC000057757351 369409252 /nfs/dbraw/zinc/40/92/52/369409252.db2.gz ZWMUUZQQKBUVAC-UHFFFAOYSA-N 1 2 237.262 2.587 20 0 BFADLO CCC1(C)CN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000459631038 203323536 /nfs/dbraw/zinc/32/35/36/203323536.db2.gz HZXBWMXWMVMTKD-UHFFFAOYSA-N 1 2 234.343 2.631 20 0 BFADLO CCc1cnc(C[NH+]2CC(C)(CC)C2)s1 ZINC000459633801 203327193 /nfs/dbraw/zinc/32/71/93/203327193.db2.gz LZACNQAKPUJMFJ-UHFFFAOYSA-N 1 2 224.373 2.937 20 0 BFADLO CC(C)(C)C1C[NH+](Cc2ccn(C(F)F)n2)C1 ZINC000459646175 203328523 /nfs/dbraw/zinc/32/85/23/203328523.db2.gz RPDOPSGHUMRMDV-UHFFFAOYSA-N 1 2 243.301 2.756 20 0 BFADLO CC(C)OCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459732089 203345850 /nfs/dbraw/zinc/34/58/50/203345850.db2.gz MCMGCSKKXOSZPL-UHFFFAOYSA-N 1 2 223.291 2.566 20 0 BFADLO CC(C)OCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459732089 203345854 /nfs/dbraw/zinc/34/58/54/203345854.db2.gz MCMGCSKKXOSZPL-UHFFFAOYSA-N 1 2 223.291 2.566 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000459754500 203355834 /nfs/dbraw/zinc/35/58/34/203355834.db2.gz ODSZJFVROWCJAT-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO C[C@H](NC(=O)CCC1CCCC1)c1[nH+]ccn1C ZINC000620591615 369944669 /nfs/dbraw/zinc/94/46/69/369944669.db2.gz CPBCNVVDORVRIL-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO CCc1cc(N[C@H]2C[C@@](C)(OC)C2(C)C)nc[nH+]1 ZINC000075064712 370072534 /nfs/dbraw/zinc/07/25/34/370072534.db2.gz YPWWJGRNUOJQGD-SMDDNHRTSA-N 1 2 249.358 2.655 20 0 BFADLO Cc1cnc(C[N@@H+]2CCCc3sccc3C2)o1 ZINC000075718552 370168987 /nfs/dbraw/zinc/16/89/87/370168987.db2.gz JNNICQHBTPUKQP-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1cnc(C[N@H+]2CCCc3sccc3C2)o1 ZINC000075718552 370168991 /nfs/dbraw/zinc/16/89/91/370168991.db2.gz JNNICQHBTPUKQP-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+](CC)Cc2ccoc2)o1 ZINC000111686661 370171604 /nfs/dbraw/zinc/17/16/04/370171604.db2.gz UAYMADNVIYELMY-SNVBAGLBSA-N 1 2 249.314 2.808 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+](CC)Cc2ccoc2)o1 ZINC000111686661 370171610 /nfs/dbraw/zinc/17/16/10/370171610.db2.gz UAYMADNVIYELMY-SNVBAGLBSA-N 1 2 249.314 2.808 20 0 BFADLO CCOc1cncc(CNc2ccc[nH+]c2C)c1 ZINC000621341977 370275315 /nfs/dbraw/zinc/27/53/15/370275315.db2.gz CFWVXLIKBLRHBZ-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO FC1(F)C[C@H]1CCNc1cc[nH+]c2ccncc12 ZINC000621345418 370279080 /nfs/dbraw/zinc/27/90/80/370279080.db2.gz LLTDMKIJZOAPDC-SECBINFHSA-N 1 2 249.264 2.509 20 0 BFADLO CCOc1cncc(C[NH2+][C@@H](CC)C(F)F)c1 ZINC000621358829 370292580 /nfs/dbraw/zinc/29/25/80/370292580.db2.gz WDEDTDCUUQAYRL-NSHDSACASA-N 1 2 244.285 2.614 20 0 BFADLO CCCC[C@@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000621621588 370405784 /nfs/dbraw/zinc/40/57/84/370405784.db2.gz DOIAPBCWRNWQHF-GFCCVEGCSA-N 1 2 249.358 2.895 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCCC2(C)C)no1 ZINC000077383037 370414118 /nfs/dbraw/zinc/41/41/18/370414118.db2.gz IIRPSNXNSCYNCN-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCCC2(C)C)no1 ZINC000077383037 370414122 /nfs/dbraw/zinc/41/41/22/370414122.db2.gz IIRPSNXNSCYNCN-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CCc1cc(N(C)CCc2cccs2)nc[nH+]1 ZINC000078527854 370571471 /nfs/dbraw/zinc/57/14/71/370571471.db2.gz QLVZSRORJDXEKJ-UHFFFAOYSA-N 1 2 247.367 2.779 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](c2ccco2)C1 ZINC000623960743 371198981 /nfs/dbraw/zinc/19/89/81/371198981.db2.gz GDQJDVJCLFPXMY-LLVKDONJSA-N 1 2 244.294 2.677 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2CCCc3scnc32)o1 ZINC000623999580 371231855 /nfs/dbraw/zinc/23/18/55/371231855.db2.gz VJZKNBUUMKHFCM-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2CCCc3scnc32)o1 ZINC000623999579 371232309 /nfs/dbraw/zinc/23/23/09/371232309.db2.gz VJZKNBUUMKHFCM-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO c1ccc2c(c1)cc[nH+]c2N1C[C@H]2CC[C@@H](C1)O2 ZINC000624010653 371247619 /nfs/dbraw/zinc/24/76/19/371247619.db2.gz URIYZGAFZPAUQL-BETUJISGSA-N 1 2 240.306 2.602 20 0 BFADLO CCC[C@@H](C[NH2+][C@@H](C)c1cn[nH]c1C)OCC ZINC000624049659 371274882 /nfs/dbraw/zinc/27/48/82/371274882.db2.gz NAJGDQBXDCFEPV-JQWIXIFHSA-N 1 2 239.363 2.574 20 0 BFADLO Nc1ccc(Nc2ccc(F)cc2)c[nH+]1 ZINC000019952367 181720667 /nfs/dbraw/zinc/72/06/67/181720667.db2.gz KZBYHEITEYGTGX-UHFFFAOYSA-N 1 2 203.220 2.547 20 0 BFADLO CCc1noc(C[NH2+]C(C)(C)c2ccccc2)n1 ZINC000624514079 371524900 /nfs/dbraw/zinc/52/49/00/371524900.db2.gz PUOASDOZWVINAB-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc(F)cc1F ZINC000020585601 181759438 /nfs/dbraw/zinc/75/94/38/181759438.db2.gz QHPRSNLUFLYMKF-UHFFFAOYSA-N 1 2 221.210 2.686 20 0 BFADLO CCC(F)(F)CNc1cc[nH+]c2ccncc12 ZINC000624560860 371541998 /nfs/dbraw/zinc/54/19/98/371541998.db2.gz ZOSUDIQYUXYALK-UHFFFAOYSA-N 1 2 237.253 2.509 20 0 BFADLO COc1ccc(NCc2ccccc2OC)[nH+]c1 ZINC000226949336 371759289 /nfs/dbraw/zinc/75/92/89/371759289.db2.gz LESVVGLNTOIFLO-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO CCc1cc(NCC2(SC)CCC2)nc[nH+]1 ZINC000227987333 371967621 /nfs/dbraw/zinc/96/76/21/371967621.db2.gz CWVQONITVVGJCX-UHFFFAOYSA-N 1 2 237.372 2.737 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(F)c1 ZINC000631176670 372217968 /nfs/dbraw/zinc/21/79/68/372217968.db2.gz GTVRFRKTHJAZSU-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO CCCCc1cc(N[C@H]2CCCOCC2)nc[nH+]1 ZINC000631194479 372226888 /nfs/dbraw/zinc/22/68/88/372226888.db2.gz LQRRNCRKNRVRPM-LBPRGKRZSA-N 1 2 249.358 2.800 20 0 BFADLO CCCCc1cc(N[C@@H](C)[C@H](C)OC)nc[nH+]1 ZINC000631238410 372255474 /nfs/dbraw/zinc/25/54/74/372255474.db2.gz LVZKYGKOAJDRHF-QWRGUYRKSA-N 1 2 237.347 2.655 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCCC12CC2 ZINC000631421181 372352627 /nfs/dbraw/zinc/35/26/27/372352627.db2.gz ZEADGHIVKYVRMX-NSHDSACASA-N 1 2 218.300 2.835 20 0 BFADLO O=C(CC1CC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000298653457 181892089 /nfs/dbraw/zinc/89/20/89/181892089.db2.gz RWUOUVJALPRBJY-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO CCc1cc(N[C@H](C)c2cnc(C)s2)nc[nH+]1 ZINC000631472174 372382757 /nfs/dbraw/zinc/38/27/57/372382757.db2.gz OBCTYQSKHLLXJY-MRVPVSSYSA-N 1 2 248.355 2.977 20 0 BFADLO COc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(F)F ZINC000631635493 372473416 /nfs/dbraw/zinc/47/34/16/372473416.db2.gz VXGPXZQPAFGCII-LBPRGKRZSA-N 1 2 241.281 2.927 20 0 BFADLO CC[C@@H](C)Cc1noc(C[N@H+](CC)C2CC2)n1 ZINC000632248493 372826357 /nfs/dbraw/zinc/82/63/57/372826357.db2.gz SAVRNZDAUJPUBC-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@@H](C)Cc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000632248493 372826368 /nfs/dbraw/zinc/82/63/68/372826368.db2.gz SAVRNZDAUJPUBC-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCS[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000175057297 205565930 /nfs/dbraw/zinc/56/59/30/205565930.db2.gz ISUYMPWAIKZOLP-QWRGUYRKSA-N 1 2 237.372 2.871 20 0 BFADLO c1cc(COc2cc[nH+]cc2)c2c(c1)COCC2 ZINC000634548197 374302680 /nfs/dbraw/zinc/30/26/80/374302680.db2.gz VIVRWRGVSJYLNK-UHFFFAOYSA-N 1 2 241.290 2.733 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000440483377 206078456 /nfs/dbraw/zinc/07/84/56/206078456.db2.gz FSROOHGEOBVOPP-LLVKDONJSA-N 1 2 225.282 2.932 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCc2cccc(F)c2C1 ZINC000440483377 206078460 /nfs/dbraw/zinc/07/84/60/206078460.db2.gz FSROOHGEOBVOPP-LLVKDONJSA-N 1 2 225.282 2.932 20 0 BFADLO CCC[N@H+](CCOC(C)(C)C)CC(F)F ZINC000194884779 206113416 /nfs/dbraw/zinc/11/34/16/206113416.db2.gz XHCMQRAZSIIVGQ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CCC[N@@H+](CCOC(C)(C)C)CC(F)F ZINC000194884779 206113420 /nfs/dbraw/zinc/11/34/20/206113420.db2.gz XHCMQRAZSIIVGQ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO FC(F)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000459542296 206133099 /nfs/dbraw/zinc/13/30/99/206133099.db2.gz HNVZGSWDBFDUJJ-UHFFFAOYSA-N 1 2 237.196 2.643 20 0 BFADLO CCCC[C@@H](CCC)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000339225875 168962371 /nfs/dbraw/zinc/96/23/71/168962371.db2.gz PWBRCXHYWPBNAE-LLVKDONJSA-N 1 2 237.347 2.807 20 0 BFADLO CCCC[C@H]1CCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000333978463 169014201 /nfs/dbraw/zinc/01/42/01/169014201.db2.gz GMZBRMKDBVDTAX-RYUDHWBXSA-N 1 2 249.358 2.807 20 0 BFADLO OC[C@H](CNc1cccc[nH+]1)CC1CCCC1 ZINC000359290817 183138848 /nfs/dbraw/zinc/13/88/48/183138848.db2.gz BOXBSWWGIJHLQN-ZDUSSCGKSA-N 1 2 234.343 2.682 20 0 BFADLO CCCCn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000026474297 169034747 /nfs/dbraw/zinc/03/47/47/169034747.db2.gz NFGWIAKKAOENQF-NSHDSACASA-N 1 2 247.342 2.629 20 0 BFADLO CCC[N@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000336684017 169132268 /nfs/dbraw/zinc/13/22/68/169132268.db2.gz UICSDGIBARYYLR-UHFFFAOYSA-N 1 2 225.336 2.599 20 0 BFADLO CCC[N@@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000336684017 169132271 /nfs/dbraw/zinc/13/22/71/169132271.db2.gz UICSDGIBARYYLR-UHFFFAOYSA-N 1 2 225.336 2.599 20 0 BFADLO Oc1ccc(-c2cccn3cc[nH+]c23)cc1 ZINC000028764715 183264147 /nfs/dbraw/zinc/26/41/47/183264147.db2.gz SANSIUGTQBPEEL-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO CCCN(C[C@H]1CCCCO1)c1cc[nH+]c(C)n1 ZINC000361017004 169173811 /nfs/dbraw/zinc/17/38/11/169173811.db2.gz KHZYJRULMLNKKJ-CYBMUJFWSA-N 1 2 249.358 2.571 20 0 BFADLO CCC[N@H+](CCc1cscn1)CC(F)F ZINC000284402449 169170098 /nfs/dbraw/zinc/17/00/98/169170098.db2.gz WNJFEFTWLHJYQS-UHFFFAOYSA-N 1 2 234.315 2.663 20 0 BFADLO CCC[N@@H+](CCc1cscn1)CC(F)F ZINC000284402449 169170099 /nfs/dbraw/zinc/17/00/99/169170099.db2.gz WNJFEFTWLHJYQS-UHFFFAOYSA-N 1 2 234.315 2.663 20 0 BFADLO CCCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000272530632 169183029 /nfs/dbraw/zinc/18/30/29/169183029.db2.gz OXHUFUNKSHAJJH-UHFFFAOYSA-N 1 2 217.316 2.733 20 0 BFADLO CCCN(c1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000302839094 169184016 /nfs/dbraw/zinc/18/40/16/169184016.db2.gz YWVMYUYNXTXNIH-UHFFFAOYSA-N 1 2 242.326 2.591 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2nccs2)c1 ZINC000127505191 183329289 /nfs/dbraw/zinc/32/92/89/183329289.db2.gz UGGDYAVQBLXMTB-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2nccs2)c1 ZINC000127505191 183329291 /nfs/dbraw/zinc/32/92/91/183329291.db2.gz UGGDYAVQBLXMTB-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1cscn1 ZINC000040504122 183373431 /nfs/dbraw/zinc/37/34/31/183373431.db2.gz WSBQWLFLIPMBFT-NSHDSACASA-N 1 2 234.324 2.903 20 0 BFADLO c1cc2[nH+]ccc(N[C@H]3CCCOCC3)c2cn1 ZINC000271880910 183376960 /nfs/dbraw/zinc/37/69/60/183376960.db2.gz MKKPIWVFVQEPAL-NSHDSACASA-N 1 2 243.310 2.611 20 0 BFADLO c1cc2[nH+]ccc(NC[C@@H]3CCSC3)c2cn1 ZINC000279470236 183377204 /nfs/dbraw/zinc/37/72/04/183377204.db2.gz NIAQKBABNYNPKP-JTQLQIEISA-N 1 2 245.351 2.795 20 0 BFADLO c1sc(C2CC2)nc1COc1cc[nH+]cc1 ZINC000276473931 183360042 /nfs/dbraw/zinc/36/00/42/183360042.db2.gz QIHMUXMJKMOTMG-UHFFFAOYSA-N 1 2 232.308 2.995 20 0 BFADLO c1c[nH+]c(COCCCc2ccccc2)[nH]1 ZINC000123862430 183390911 /nfs/dbraw/zinc/39/09/11/183390911.db2.gz PJFYWDWBIWTVLT-UHFFFAOYSA-N 1 2 216.284 2.559 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000152038671 183397372 /nfs/dbraw/zinc/39/73/72/183397372.db2.gz AWZGSGROZYMSPE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000152038671 183397373 /nfs/dbraw/zinc/39/73/73/183397373.db2.gz AWZGSGROZYMSPE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH+]c([C@@H]2CCCCN2Cc2ccccn2)[nH]1 ZINC000152038671 183397376 /nfs/dbraw/zinc/39/73/76/183397376.db2.gz AWZGSGROZYMSPE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO CCCOc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000122505474 169320837 /nfs/dbraw/zinc/32/08/37/169320837.db2.gz AUXDRXHHMAPKLK-UHFFFAOYSA-N 1 2 246.310 2.751 20 0 BFADLO CCCOc1ccccc1NCc1[nH+]ccn1C ZINC000049856722 169327483 /nfs/dbraw/zinc/32/74/83/169327483.db2.gz DKCXADLGOUPXLN-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCCOc1ccccc1OCc1c[nH+]cn1C ZINC000267717257 169327505 /nfs/dbraw/zinc/32/75/05/169327505.db2.gz AKSDMCVBXBERJQ-UHFFFAOYSA-N 1 2 246.310 2.788 20 0 BFADLO c1c(CN2CCc3ccccc32)[nH+]c2ccccn12 ZINC000007049252 183443262 /nfs/dbraw/zinc/44/32/62/183443262.db2.gz HQUTXMUFQFMPAP-UHFFFAOYSA-N 1 2 249.317 2.897 20 0 BFADLO CCC[C@@H](C)C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094469 169360967 /nfs/dbraw/zinc/36/09/67/169360967.db2.gz RQSABJCAVIVUBT-LLVKDONJSA-N 1 2 245.330 2.510 20 0 BFADLO CCC[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)OC ZINC000294841883 169385508 /nfs/dbraw/zinc/38/55/08/169385508.db2.gz BFQFVSYDCIIFPC-LBPRGKRZSA-N 1 2 249.358 2.889 20 0 BFADLO CCC[C@@H]([NH2+]CC(=O)OCC)c1ccccc1 ZINC000037394431 169399636 /nfs/dbraw/zinc/39/96/36/169399636.db2.gz JNYSACVKHOEUBO-CYBMUJFWSA-N 1 2 235.327 2.681 20 0 BFADLO C[C@@]1(CNc2cccc[nH+]2)CCCS1 ZINC000087620020 383855376 /nfs/dbraw/zinc/85/53/76/383855376.db2.gz NUNISRIABTZREY-NSHDSACASA-N 1 2 208.330 2.779 20 0 BFADLO C[C@]1(CNc2cccc[nH+]2)CCCS1 ZINC000087620018 383856524 /nfs/dbraw/zinc/85/65/24/383856524.db2.gz NUNISRIABTZREY-LLVKDONJSA-N 1 2 208.330 2.779 20 0 BFADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000293846845 383912223 /nfs/dbraw/zinc/91/22/23/383912223.db2.gz CISDKNBMTUDIDE-GFCCVEGCSA-N 1 2 213.284 2.748 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(Cl)cc1 ZINC000036900122 383915853 /nfs/dbraw/zinc/91/58/53/383915853.db2.gz PGXSWSGCYKIVTJ-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1Cl ZINC000036900137 383917945 /nfs/dbraw/zinc/91/79/45/383917945.db2.gz SIECPIQVJLTPJR-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000036958552 383920826 /nfs/dbraw/zinc/92/08/26/383920826.db2.gz KISJCHJZYARNTQ-LLVKDONJSA-N 1 2 229.327 2.823 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@@H](C)C2CC2)no1 ZINC000518475001 383931330 /nfs/dbraw/zinc/93/13/30/383931330.db2.gz SAAGWLLRSBFING-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@@H](C)C2CC2)no1 ZINC000518475001 383931335 /nfs/dbraw/zinc/93/13/35/383931335.db2.gz SAAGWLLRSBFING-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)cc[nH+]1 ZINC000624445268 383900099 /nfs/dbraw/zinc/90/00/99/383900099.db2.gz CTXPABOQDQMNDN-IUCAKERBSA-N 1 2 241.285 2.513 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1nccs1 ZINC000345347567 383950058 /nfs/dbraw/zinc/95/00/58/383950058.db2.gz DSFGBVFPPDPUKW-LPEHRKFASA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1nccs1 ZINC000345347567 383950062 /nfs/dbraw/zinc/95/00/62/383950062.db2.gz DSFGBVFPPDPUKW-LPEHRKFASA-N 1 2 248.355 2.696 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000644902095 384025601 /nfs/dbraw/zinc/02/56/01/384025601.db2.gz HIMBWUHHIXLUCR-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000644902095 384025602 /nfs/dbraw/zinc/02/56/02/384025602.db2.gz HIMBWUHHIXLUCR-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CC[C@H](C)[C@@H](F)C1 ZINC000644902095 384025609 /nfs/dbraw/zinc/02/56/09/384025609.db2.gz HIMBWUHHIXLUCR-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1c(C)cc(C)cc1C ZINC000037989181 384048804 /nfs/dbraw/zinc/04/88/04/384048804.db2.gz AYXMQOHCDRWNNR-UHFFFAOYSA-N 1 2 243.354 2.933 20 0 BFADLO CCc1cccc(OCc2c[nH+]cn2C)c1 ZINC000090233686 384035634 /nfs/dbraw/zinc/03/56/34/384035634.db2.gz MPXFXNPUJJGBLR-UHFFFAOYSA-N 1 2 216.284 2.562 20 0 BFADLO CC(C)OC(=O)[C@@H]([NH2+]Cc1ccccc1)C(C)C ZINC000449513023 384067709 /nfs/dbraw/zinc/06/77/09/384067709.db2.gz VAHFLVJVWWRUFV-AWEZNQCLSA-N 1 2 249.354 2.752 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NC[C@H]2CCOC2)c1 ZINC000090803070 384076000 /nfs/dbraw/zinc/07/60/00/384076000.db2.gz SUZSRTLOHFUWSB-MRVPVSSYSA-N 1 2 246.232 2.549 20 0 BFADLO O=C(CCC1CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000115352144 384078505 /nfs/dbraw/zinc/07/85/05/384078505.db2.gz ARUIAIHJKANUDT-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1nc(N2[C@@H](C)C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000530484845 384124363 /nfs/dbraw/zinc/12/43/63/384124363.db2.gz DVVKJNVNWJPYTO-UWVGGRQHSA-N 1 2 231.343 2.651 20 0 BFADLO O=C(CCCC1CCCCC1)NCc1[nH]cc[nH+]1 ZINC000070990614 384144766 /nfs/dbraw/zinc/14/47/66/384144766.db2.gz FURYKSKIDPUXHW-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000117941817 384185963 /nfs/dbraw/zinc/18/59/63/384185963.db2.gz VZHCMOMJNJXCQC-BXUZGUMPSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)no1 ZINC000530962919 384192673 /nfs/dbraw/zinc/19/26/73/384192673.db2.gz UYZKBVGWFWLARN-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)no1 ZINC000530962919 384192676 /nfs/dbraw/zinc/19/26/76/384192676.db2.gz UYZKBVGWFWLARN-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO COc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000072709722 384230541 /nfs/dbraw/zinc/23/05/41/384230541.db2.gz UPSVTLQCBNYJAU-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO CCCN(Cc1[nH+]ccn1C)c1ccccc1F ZINC000528635100 384231643 /nfs/dbraw/zinc/23/16/43/384231643.db2.gz OSPBNOVVOHTULJ-UHFFFAOYSA-N 1 2 247.317 2.976 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NCc1cc[nH]n1 ZINC000158453660 384233938 /nfs/dbraw/zinc/23/39/38/384233938.db2.gz BAAKKEFATQYNBY-UHFFFAOYSA-N 1 2 246.314 2.594 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@@H]1CCCO1 ZINC000153183758 384208895 /nfs/dbraw/zinc/20/88/95/384208895.db2.gz ACTFTHAMOCMEHV-RYUDHWBXSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cc(C)ccc1C ZINC000042255149 384211432 /nfs/dbraw/zinc/21/14/32/384211432.db2.gz YPTNPQTXZBFCCY-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000093149451 384216313 /nfs/dbraw/zinc/21/63/13/384216313.db2.gz YXILNXPVTPIEEQ-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000093149451 384216317 /nfs/dbraw/zinc/21/63/17/384216317.db2.gz YXILNXPVTPIEEQ-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO CC(C)(C)c1nc(C[NH+]2C[C@@H]3CCC[C@H]3C2)no1 ZINC000153197372 384218522 /nfs/dbraw/zinc/21/85/22/384218522.db2.gz ZBHOIRZGSJYNRO-QWRGUYRKSA-N 1 2 249.358 2.599 20 0 BFADLO CCc1ccc(CNc2c[nH+]ccc2OC)o1 ZINC000119180360 384244710 /nfs/dbraw/zinc/24/47/10/384244710.db2.gz UEFHNWHZKNXIIK-UHFFFAOYSA-N 1 2 232.283 2.858 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1cscn1 ZINC000022863741 384251271 /nfs/dbraw/zinc/25/12/71/384251271.db2.gz ZGOZTPABMMGJNU-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO CCC[C@@H]1C[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119486617 384277621 /nfs/dbraw/zinc/27/76/21/384277621.db2.gz MTMRQDBUWSACPV-ZYHUDNBSSA-N 1 2 233.315 2.700 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)no1 ZINC000173806847 384268345 /nfs/dbraw/zinc/26/83/45/384268345.db2.gz YHHIAOSFKAPEEP-NEPJUHHUSA-N 1 2 249.358 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)no1 ZINC000173806847 384268353 /nfs/dbraw/zinc/26/83/53/384268353.db2.gz YHHIAOSFKAPEEP-NEPJUHHUSA-N 1 2 249.358 2.787 20 0 BFADLO CC[N@H+](CC(F)F)C[C@H](CC(C)C)OC ZINC000642701821 384268726 /nfs/dbraw/zinc/26/87/26/384268726.db2.gz VVJNEJDOVXSGLW-JTQLQIEISA-N 1 2 223.307 2.635 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@H](CC(C)C)OC ZINC000642701821 384268730 /nfs/dbraw/zinc/26/87/30/384268730.db2.gz VVJNEJDOVXSGLW-JTQLQIEISA-N 1 2 223.307 2.635 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093867615 384275247 /nfs/dbraw/zinc/27/52/47/384275247.db2.gz OAWMDCKANLNCJJ-XHDPSFHLSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000093867615 384275250 /nfs/dbraw/zinc/27/52/50/384275250.db2.gz OAWMDCKANLNCJJ-XHDPSFHLSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cn2cc(NC(=O)C3CCCC3)ccc2[nH+]1 ZINC000074859571 384305812 /nfs/dbraw/zinc/30/58/12/384305812.db2.gz FLMKTAUWARFLNA-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC(C)CC1(C(=O)NCc2[nH]cc[nH+]2)CCCC1 ZINC000094817378 384313831 /nfs/dbraw/zinc/31/38/31/384313831.db2.gz VGRRDHKNJVAGLF-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccccn1)CC2 ZINC000133867622 384315878 /nfs/dbraw/zinc/31/58/78/384315878.db2.gz ATRWBPAVMDCAIA-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1ccccn1)CC2 ZINC000133867622 384315886 /nfs/dbraw/zinc/31/58/86/384315886.db2.gz ATRWBPAVMDCAIA-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1nsc(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000569588528 384292002 /nfs/dbraw/zinc/29/20/02/384292002.db2.gz NYCAMCZKHGTXRK-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nsc(C)c1C[N@H+](C)Cc1ccccn1 ZINC000569588528 384292005 /nfs/dbraw/zinc/29/20/05/384292005.db2.gz NYCAMCZKHGTXRK-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO FC(F)C[NH2+]Cc1cc(Cl)cs1 ZINC000147410249 384302513 /nfs/dbraw/zinc/30/25/13/384302513.db2.gz LMGCDLWVEZOYBT-UHFFFAOYSA-N 1 2 211.664 2.756 20 0 BFADLO CC(C)c1nc(N[C@H]2CC[C@@H]2C)cc[nH+]1 ZINC000308838538 384340840 /nfs/dbraw/zinc/34/08/40/384340840.db2.gz JFIOHCJMZDDCPI-UWVGGRQHSA-N 1 2 205.305 2.810 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000358965951 384343329 /nfs/dbraw/zinc/34/33/29/384343329.db2.gz LPZVHXYZIJJMLC-LBPRGKRZSA-N 1 2 246.354 2.831 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1C ZINC000120431747 384351918 /nfs/dbraw/zinc/35/19/18/384351918.db2.gz RZTQCMVINVEYAE-FZMZJTMJSA-N 1 2 247.338 2.597 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cscn2)C[C@H](C)C1(F)F ZINC000625650164 384365159 /nfs/dbraw/zinc/36/51/59/384365159.db2.gz WLRZKISDXPVZRN-DTORHVGOSA-N 1 2 246.326 2.866 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cscn2)C[C@H](C)C1(F)F ZINC000625650164 384365167 /nfs/dbraw/zinc/36/51/67/384365167.db2.gz WLRZKISDXPVZRN-DTORHVGOSA-N 1 2 246.326 2.866 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000643349235 384366330 /nfs/dbraw/zinc/36/63/30/384366330.db2.gz HDCTUCFMYYWTMG-NSHDSACASA-N 1 2 244.342 2.581 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2nnc(C)s2)o1 ZINC000135000873 384406597 /nfs/dbraw/zinc/40/65/97/384406597.db2.gz WUDFFLBMWUXVIX-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CCCOC2)c[nH+]1 ZINC000335606537 384380480 /nfs/dbraw/zinc/38/04/80/384380480.db2.gz BOBMBJLRXBTDPT-VXGBXAGGSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCc1ccsc1 ZINC000179864551 384383385 /nfs/dbraw/zinc/38/33/85/384383385.db2.gz LQJHHRTUORLUAS-UHFFFAOYSA-N 1 2 247.323 2.773 20 0 BFADLO Cc1ccc(NCc2c[nH+]cn2C)cc1C ZINC000078469792 384448577 /nfs/dbraw/zinc/44/85/77/384448577.db2.gz QWSKLKBBWZWMCQ-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000121723050 384437140 /nfs/dbraw/zinc/43/71/40/384437140.db2.gz NYBFRGMATXLAMS-JTQLQIEISA-N 1 2 218.300 2.683 20 0 BFADLO CC(C)[N@H+](CCc1ccncc1)CC(F)F ZINC000135417772 384443648 /nfs/dbraw/zinc/44/36/48/384443648.db2.gz MRPXUGKLFYAOCL-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO CC(C)[N@@H+](CCc1ccncc1)CC(F)F ZINC000135417772 384443651 /nfs/dbraw/zinc/44/36/51/384443651.db2.gz MRPXUGKLFYAOCL-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1cscn1 ZINC000161141904 384466884 /nfs/dbraw/zinc/46/68/84/384466884.db2.gz FPPTVRVJGUBIAV-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1cscn1 ZINC000161167424 384469412 /nfs/dbraw/zinc/46/94/12/384469412.db2.gz DQHMCQCUHGUNPL-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO c1[nH+]c(SC[C@@H]2CCCCO2)n2ccccc12 ZINC000122512022 384488013 /nfs/dbraw/zinc/48/80/13/384488013.db2.gz JSOBVIZHDRLKIF-LBPRGKRZSA-N 1 2 248.351 2.996 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000097366538 384513892 /nfs/dbraw/zinc/51/38/92/384513892.db2.gz MWRRTBRQHJKLEM-LBPRGKRZSA-N 1 2 248.326 2.514 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCC(F)(F)F ZINC000080111642 384527802 /nfs/dbraw/zinc/52/78/02/384527802.db2.gz YIENKLWJXJSWIR-UHFFFAOYSA-N 1 2 232.205 2.671 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC=C(C)C)[C@@H](C)CC ZINC000183591411 384546874 /nfs/dbraw/zinc/54/68/74/384546874.db2.gz POIAYTTZDFFHNY-RYUDHWBXSA-N 1 2 227.348 2.520 20 0 BFADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@@H]1CCOC1 ZINC000309711469 384552747 /nfs/dbraw/zinc/55/27/47/384552747.db2.gz QUMZIVTWJRXKCK-UTLUCORTSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1nc(CNc2ccc[nH+]c2C)cs1 ZINC000085711879 384554257 /nfs/dbraw/zinc/55/42/57/384554257.db2.gz MZZNGIWXZMXNGA-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2nccn2C)c1 ZINC000161994024 384556459 /nfs/dbraw/zinc/55/64/59/384556459.db2.gz QCRQWKMAUVMBPC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2nccn2C)c1 ZINC000161994024 384556463 /nfs/dbraw/zinc/55/64/63/384556463.db2.gz QCRQWKMAUVMBPC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1ccc(C)c(NCc2[nH]cc[nH+]2)c1 ZINC000049714597 384557969 /nfs/dbraw/zinc/55/79/69/384557969.db2.gz HYICKNWMBRDKBC-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO COc1c(C)ccc(NCc2[nH]cc[nH+]2)c1C ZINC000049715348 384559787 /nfs/dbraw/zinc/55/97/87/384559787.db2.gz ZXELFOBUIDKWKH-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO Cc1occc1C[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000184470027 384608771 /nfs/dbraw/zinc/60/87/71/384608771.db2.gz PGLAIOUBEILDGN-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1occc1C[N@H+](C)[C@@H](C)c1cnccn1 ZINC000184470027 384608776 /nfs/dbraw/zinc/60/87/76/384608776.db2.gz PGLAIOUBEILDGN-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccncc2)o1 ZINC000162437770 384619366 /nfs/dbraw/zinc/61/93/66/384619366.db2.gz DYORISOAGQHXAA-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccncc2)o1 ZINC000162437770 384619379 /nfs/dbraw/zinc/61/93/79/384619379.db2.gz DYORISOAGQHXAA-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CC[C@@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000050506863 384627323 /nfs/dbraw/zinc/62/73/23/384627323.db2.gz GIQWFRCQWDVEOZ-YPMHNXCESA-N 1 2 235.327 2.536 20 0 BFADLO Cc1cc[nH+]c(NCC[C@@H]2CCOC2)c1Cl ZINC000309843638 384663913 /nfs/dbraw/zinc/66/39/13/384663913.db2.gz FNGGCKPGSVPBNL-SNVBAGLBSA-N 1 2 240.734 2.882 20 0 BFADLO CC(C)c1nc(N[C@H](C)C2CC2)cc[nH+]1 ZINC000171811907 384665846 /nfs/dbraw/zinc/66/58/46/384665846.db2.gz PLKSEWMPKPLGKX-SECBINFHSA-N 1 2 205.305 2.810 20 0 BFADLO CO[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000363673386 384676238 /nfs/dbraw/zinc/67/62/38/384676238.db2.gz PIBBMASGNKJQGU-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nccs2)o1 ZINC000041011792 384634416 /nfs/dbraw/zinc/63/44/16/384634416.db2.gz CRZYLHZVCZHUMN-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cc(Cl)cs1 ZINC000086332517 384643673 /nfs/dbraw/zinc/64/36/73/384643673.db2.gz BUOSLHRSAYPBFT-UHFFFAOYSA-N 1 2 241.747 2.723 20 0 BFADLO COC[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000044477532 384651803 /nfs/dbraw/zinc/65/18/03/384651803.db2.gz HWQFJNYBKVIDCP-NSHDSACASA-N 1 2 230.311 2.929 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362528322 384658042 /nfs/dbraw/zinc/65/80/42/384658042.db2.gz LKKUHPJSMQHXKU-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000362528322 384658043 /nfs/dbraw/zinc/65/80/43/384658043.db2.gz LKKUHPJSMQHXKU-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO FC1(F)CCCC[C@@H]1Cn1cc[nH+]c1 ZINC000294298395 384660637 /nfs/dbraw/zinc/66/06/37/384660637.db2.gz UUFFQNJQLFNQPF-SECBINFHSA-N 1 2 200.232 2.709 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000336663251 384725136 /nfs/dbraw/zinc/72/51/36/384725136.db2.gz UJARBAVOWHEEGG-BWVDBABLSA-N 1 2 207.239 2.573 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)C[C@H]2CCCCO2)o1 ZINC000356995276 384689855 /nfs/dbraw/zinc/68/98/55/384689855.db2.gz GQIUJCKHVQOJQG-VXGBXAGGSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)o1 ZINC000356995276 384689861 /nfs/dbraw/zinc/68/98/61/384689861.db2.gz GQIUJCKHVQOJQG-VXGBXAGGSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1c(F)cccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294247358 384693143 /nfs/dbraw/zinc/69/31/43/384693143.db2.gz WKFXGDWYIFDMLK-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO CC(C)[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000125121716 384695900 /nfs/dbraw/zinc/69/59/00/384695900.db2.gz SAVDFHKHVPTKQM-ZDUSSCGKSA-N 1 2 230.311 2.664 20 0 BFADLO CSc1ccc(N[C@H](C)[C@H]2CCCO2)[nH+]c1 ZINC000309922684 384719588 /nfs/dbraw/zinc/71/95/88/384719588.db2.gz SZOAXIXDIBXEGM-MWLCHTKSSA-N 1 2 238.356 2.783 20 0 BFADLO CC(C)[C@@H]1C[N@H+](Cc2cscn2)CCS1 ZINC000174332272 384778735 /nfs/dbraw/zinc/77/87/35/384778735.db2.gz PAWJYHGFXXEKHZ-NSHDSACASA-N 1 2 242.413 2.717 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](Cc2cscn2)CCS1 ZINC000174332272 384778746 /nfs/dbraw/zinc/77/87/46/384778746.db2.gz PAWJYHGFXXEKHZ-NSHDSACASA-N 1 2 242.413 2.717 20 0 BFADLO C[N@H+](Cc1noc(-c2ccsc2)n1)C1CCC1 ZINC000173918027 384736033 /nfs/dbraw/zinc/73/60/33/384736033.db2.gz PNVQZXGXCCNWPL-UHFFFAOYSA-N 1 2 249.339 2.782 20 0 BFADLO C[N@@H+](Cc1noc(-c2ccsc2)n1)C1CCC1 ZINC000173918027 384736036 /nfs/dbraw/zinc/73/60/36/384736036.db2.gz PNVQZXGXCCNWPL-UHFFFAOYSA-N 1 2 249.339 2.782 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ccc(Cl)cn1 ZINC000518149032 384741355 /nfs/dbraw/zinc/74/13/55/384741355.db2.gz ZTUQASJFXLPNHK-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ccc(Cl)cn1 ZINC000518149032 384741358 /nfs/dbraw/zinc/74/13/58/384741358.db2.gz ZTUQASJFXLPNHK-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1csnn1 ZINC000334846354 384745562 /nfs/dbraw/zinc/74/55/62/384745562.db2.gz HOTNEHOINIZGGD-SCZZXKLOSA-N 1 2 249.339 2.859 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1csnn1 ZINC000334846352 384747495 /nfs/dbraw/zinc/74/74/95/384747495.db2.gz HOTNEHOINIZGGD-PSASIEDQSA-N 1 2 249.339 2.859 20 0 BFADLO C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1[nH]cc[nH+]1 ZINC000557047026 384769455 /nfs/dbraw/zinc/76/94/55/384769455.db2.gz FJHGBGONHAHFGR-SNVBAGLBSA-N 1 2 249.358 2.803 20 0 BFADLO CCSc1cccc(C[NH+]2CCOCC2)c1 ZINC000186149794 384823499 /nfs/dbraw/zinc/82/34/99/384823499.db2.gz PSLRYPGOVAKGLK-UHFFFAOYSA-N 1 2 237.368 2.631 20 0 BFADLO CC[C@H](O)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000127250459 384877133 /nfs/dbraw/zinc/87/71/33/384877133.db2.gz OWKSWXDPKVZZQL-VIFPVBQESA-N 1 2 248.248 2.673 20 0 BFADLO C[NH+](C)c1ccc(NCc2cncs2)cc1 ZINC000054770556 384854527 /nfs/dbraw/zinc/85/45/27/384854527.db2.gz WXRRNLIHHCMFPE-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000647200421 384888960 /nfs/dbraw/zinc/88/89/60/384888960.db2.gz GBYTZBSFRBRKKZ-ZWNOBZJWSA-N 1 2 232.327 2.550 20 0 BFADLO CCSCC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000127344160 384860355 /nfs/dbraw/zinc/86/03/55/384860355.db2.gz ZSQJAPRDXQEEAV-SECBINFHSA-N 1 2 225.361 2.729 20 0 BFADLO CC(C)c1nc(NC2CCSCC2)cc[nH+]1 ZINC000301228694 384866631 /nfs/dbraw/zinc/86/66/31/384866631.db2.gz GNKYSSLLXIYBKR-UHFFFAOYSA-N 1 2 237.372 2.908 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@]12CCCC(C)(C)C2 ZINC000362883408 384951548 /nfs/dbraw/zinc/95/15/48/384951548.db2.gz RCEIULBHSLCRKC-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@]12CCCC(C)(C)C2 ZINC000362883408 384951553 /nfs/dbraw/zinc/95/15/53/384951553.db2.gz RCEIULBHSLCRKC-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO CCOCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486167 384953046 /nfs/dbraw/zinc/95/30/46/384953046.db2.gz PWLUKCKRDUPIQE-UHFFFAOYSA-N 1 2 234.221 2.549 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cscn1 ZINC000057622205 384957183 /nfs/dbraw/zinc/95/71/83/384957183.db2.gz HOMOZQPBSBXJMA-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cscn1 ZINC000057622205 384957189 /nfs/dbraw/zinc/95/71/89/384957189.db2.gz HOMOZQPBSBXJMA-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(F)(F)F ZINC000308652737 384892227 /nfs/dbraw/zinc/89/22/27/384892227.db2.gz LWYBLJSHYHOSPA-XLPZGREQSA-N 1 2 209.255 2.961 20 0 BFADLO CC(C)(C)c1nc(NCCC2CC2)cc[nH+]1 ZINC000301563591 384892651 /nfs/dbraw/zinc/89/26/51/384892651.db2.gz IYICGWXDOPYNSJ-UHFFFAOYSA-N 1 2 219.332 2.986 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccccc1C)C(=O)OC ZINC000105994064 384894860 /nfs/dbraw/zinc/89/48/60/384894860.db2.gz FKKPFKKUERUPGQ-YPMHNXCESA-N 1 2 235.327 2.597 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)o1 ZINC000398304847 384897756 /nfs/dbraw/zinc/89/77/56/384897756.db2.gz WKMLOGALODEHLU-IUCAKERBSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@@H]([N@H+](C)Cc1noc(C2CC2)n1)C1(C)CC1 ZINC000177216789 384914561 /nfs/dbraw/zinc/91/45/61/384914561.db2.gz HDCCVMCKORQCMB-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]([N@@H+](C)Cc1noc(C2CC2)n1)C1(C)CC1 ZINC000177216789 384914567 /nfs/dbraw/zinc/91/45/67/384914567.db2.gz HDCCVMCKORQCMB-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO Clc1sccc1NCc1[nH]cc[nH+]1 ZINC000306425331 384939729 /nfs/dbraw/zinc/93/97/29/384939729.db2.gz HCGLQYPZBWOOPB-UHFFFAOYSA-N 1 2 213.693 2.737 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCCC1(C)C ZINC000279142818 384967967 /nfs/dbraw/zinc/96/79/67/384967967.db2.gz YKTFHHILOOCHBE-NSHDSACASA-N 1 2 249.358 2.551 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000115572824 384973358 /nfs/dbraw/zinc/97/33/58/384973358.db2.gz QMSAVTXABYOEQX-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000115572824 384973366 /nfs/dbraw/zinc/97/33/66/384973366.db2.gz QMSAVTXABYOEQX-ZDUSSCGKSA-N 1 2 239.746 2.951 20 0 BFADLO Cc1cnc(C(C)(C)[NH2+]Cc2ccccn2)s1 ZINC000175982961 384990665 /nfs/dbraw/zinc/99/06/65/384990665.db2.gz HAQCVLXMWVKTKD-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000107319820 384961675 /nfs/dbraw/zinc/96/16/75/384961675.db2.gz SELAQLCBNSNFFN-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO CCCCOc1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000187619600 384964376 /nfs/dbraw/zinc/96/43/76/384964376.db2.gz IIWGSBZRYCDOSF-UHFFFAOYSA-N 1 2 246.314 2.596 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)no1 ZINC000334147011 385048276 /nfs/dbraw/zinc/04/82/76/385048276.db2.gz CXMILXBLXBMMOM-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)no1 ZINC000334147011 385048283 /nfs/dbraw/zinc/04/82/83/385048283.db2.gz CXMILXBLXBMMOM-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)no1 ZINC000334147010 385048709 /nfs/dbraw/zinc/04/87/09/385048709.db2.gz CXMILXBLXBMMOM-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)no1 ZINC000334147010 385048722 /nfs/dbraw/zinc/04/87/22/385048722.db2.gz CXMILXBLXBMMOM-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000360282828 385051721 /nfs/dbraw/zinc/05/17/21/385051721.db2.gz LMIJFQABUDDNQD-GHMZBOCLSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1nc(C)c(C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000176299868 385059408 /nfs/dbraw/zinc/05/94/08/385059408.db2.gz VLQHRHJOEOWJLN-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1ccc(N[C@@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC000087151808 385077376 /nfs/dbraw/zinc/07/73/76/385077376.db2.gz MWTVDXFIQCGUHM-ZYHUDNBSSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(CNc2cc(C)c[nH+]c2C)on1 ZINC000404582668 385034970 /nfs/dbraw/zinc/03/49/70/385034970.db2.gz RDLZUCYGQFYDHP-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Nc1[nH+]cnc(NCC2CCCCC2)c1Cl ZINC000236390682 385117035 /nfs/dbraw/zinc/11/70/35/385117035.db2.gz WDIUMXXBTXSSRI-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO Nc1nc[nH+]c(NCC2CCCCC2)c1Cl ZINC000236390682 385117038 /nfs/dbraw/zinc/11/70/38/385117038.db2.gz WDIUMXXBTXSSRI-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000151675989 385123225 /nfs/dbraw/zinc/12/32/25/385123225.db2.gz SIAXACKATNKNFO-SNVBAGLBSA-N 1 2 235.331 2.675 20 0 BFADLO C[N@H+](Cc1nc(Cl)ccc1Cl)C1CC1 ZINC000061630384 385129120 /nfs/dbraw/zinc/12/91/20/385129120.db2.gz OGOYXLWHFCEHQL-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1nc(Cl)ccc1Cl)C1CC1 ZINC000061630384 385129125 /nfs/dbraw/zinc/12/91/25/385129125.db2.gz OGOYXLWHFCEHQL-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO Nc1ccc(NC(=O)CCC2CCCCC2)c[nH+]1 ZINC000061680343 385132122 /nfs/dbraw/zinc/13/21/22/385132122.db2.gz WMQOCUKIDGSINZ-UHFFFAOYSA-N 1 2 247.342 2.963 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000165511652 385139529 /nfs/dbraw/zinc/13/95/29/385139529.db2.gz PFONXAHHHXJGMT-NWDGAFQWSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000165511652 385139536 /nfs/dbraw/zinc/13/95/36/385139536.db2.gz PFONXAHHHXJGMT-NWDGAFQWSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000165511916 385140022 /nfs/dbraw/zinc/14/00/22/385140022.db2.gz PFONXAHHHXJGMT-RYUDHWBXSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCOC1 ZINC000165511916 385140027 /nfs/dbraw/zinc/14/00/27/385140027.db2.gz PFONXAHHHXJGMT-RYUDHWBXSA-N 1 2 234.343 2.590 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165319059 385105535 /nfs/dbraw/zinc/10/55/35/385105535.db2.gz XIFCHNPWHWEWCS-VXGBXAGGSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1cncc(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC000189763369 385182604 /nfs/dbraw/zinc/18/26/04/385182604.db2.gz SZBPPLKZXMYDLX-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cncc(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC000189763369 385182608 /nfs/dbraw/zinc/18/26/08/385182608.db2.gz SZBPPLKZXMYDLX-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CC[N@H+](CC[C@H](C)O)c1ccccc1C ZINC000044123972 385194591 /nfs/dbraw/zinc/19/45/91/385194591.db2.gz FOXSREIQNJDZEB-LBPRGKRZSA-N 1 2 207.317 2.592 20 0 BFADLO CC[N@@H+](CC[C@H](C)O)c1ccccc1C ZINC000044123972 385194598 /nfs/dbraw/zinc/19/45/98/385194598.db2.gz FOXSREIQNJDZEB-LBPRGKRZSA-N 1 2 207.317 2.592 20 0 BFADLO CCc1cc(N)nc(SCCC(C)C)[nH+]1 ZINC000308829875 385197162 /nfs/dbraw/zinc/19/71/62/385197162.db2.gz JBZSMNGHKMKFQD-UHFFFAOYSA-N 1 2 225.361 2.759 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccccn1)c1nccs1 ZINC000152661511 385202330 /nfs/dbraw/zinc/20/23/30/385202330.db2.gz FYIVOBNPWHYZOD-ZDUSSCGKSA-N 1 2 247.367 2.953 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@H]2C)c(C)[nH+]1 ZINC000176750068 385142897 /nfs/dbraw/zinc/14/28/97/385142897.db2.gz CQAJOAWFCTWWGU-SNVBAGLBSA-N 1 2 233.315 2.715 20 0 BFADLO Cn1ncc(Cl)c1C[N@H+](C)Cc1ccccc1 ZINC000189496230 385157574 /nfs/dbraw/zinc/15/75/74/385157574.db2.gz KBRQYEQEXOFXSR-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ncc(Cl)c1C[N@@H+](C)Cc1ccccc1 ZINC000189496230 385157576 /nfs/dbraw/zinc/15/75/76/385157576.db2.gz KBRQYEQEXOFXSR-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2c[nH+]cn2C)c1 ZINC000177262112 385210399 /nfs/dbraw/zinc/21/03/99/385210399.db2.gz BZRMJMRHZQJQOL-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO Cc1cc(C)cc(N(C)Cc2c[nH+]cn2C)c1 ZINC000177262167 385210428 /nfs/dbraw/zinc/21/04/28/385210428.db2.gz MFIDFFVKOBVJPY-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110110918 385212579 /nfs/dbraw/zinc/21/25/79/385212579.db2.gz AMFSCTXEXQQGGV-SNVBAGLBSA-N 1 2 217.316 2.590 20 0 BFADLO CCCCOCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110111856 385212816 /nfs/dbraw/zinc/21/28/16/385212816.db2.gz QHHZBMAPIZOQIX-UHFFFAOYSA-N 1 2 249.358 2.973 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000448959747 385215594 /nfs/dbraw/zinc/21/55/94/385215594.db2.gz AHUDWNZNNCITGO-WCQYABFASA-N 1 2 232.327 2.577 20 0 BFADLO COC(=O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162369 385221599 /nfs/dbraw/zinc/22/15/99/385221599.db2.gz MRNMHLAUGLEFEY-SECBINFHSA-N 1 2 241.718 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162369 385221608 /nfs/dbraw/zinc/22/16/08/385221608.db2.gz MRNMHLAUGLEFEY-SECBINFHSA-N 1 2 241.718 2.506 20 0 BFADLO Cc1ccc(CSc2nccn2C)c(C)[nH+]1 ZINC000335803452 385263894 /nfs/dbraw/zinc/26/38/94/385263894.db2.gz PJEPQHWXEHYISU-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO C[N@H+](Cc1c(Cl)nc2ccccn21)C1CC1 ZINC000153756460 385279571 /nfs/dbraw/zinc/27/95/71/385279571.db2.gz IOLOCTSVGDKROJ-UHFFFAOYSA-N 1 2 235.718 2.582 20 0 BFADLO C[N@@H+](Cc1c(Cl)nc2ccccn21)C1CC1 ZINC000153756460 385279576 /nfs/dbraw/zinc/27/95/76/385279576.db2.gz IOLOCTSVGDKROJ-UHFFFAOYSA-N 1 2 235.718 2.582 20 0 BFADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CC2 ZINC000558088160 385298065 /nfs/dbraw/zinc/29/80/65/385298065.db2.gz SFZZOHFARMFTQV-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO C[N@H+](Cc1cocn1)Cc1ccc(F)c(F)c1 ZINC000191926514 385335226 /nfs/dbraw/zinc/33/52/26/385335226.db2.gz HDNHIMNMJBVJPJ-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO C[N@@H+](Cc1cocn1)Cc1ccc(F)c(F)c1 ZINC000191926514 385335229 /nfs/dbraw/zinc/33/52/29/385335229.db2.gz HDNHIMNMJBVJPJ-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO CS[C@@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000154632920 385343427 /nfs/dbraw/zinc/34/34/27/385343427.db2.gz JSLHDTJPZHEQMY-LLVKDONJSA-N 1 2 222.357 2.804 20 0 BFADLO CCOc1cccc([C@H](C)[NH2+]Cc2ccon2)c1 ZINC000178262620 385347665 /nfs/dbraw/zinc/34/76/65/385347665.db2.gz NAQBCXBTEZUODQ-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO Cc1cc[nH+]c(NC[C@H]2CCCO2)c1Cl ZINC000309095547 385407486 /nfs/dbraw/zinc/40/74/86/385407486.db2.gz DRTZVZWDMGDMSB-SECBINFHSA-N 1 2 226.707 2.634 20 0 BFADLO CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000178798690 385419373 /nfs/dbraw/zinc/41/93/73/385419373.db2.gz GUKWXRKFAMZMIU-UHFFFAOYSA-N 1 2 229.327 2.810 20 0 BFADLO Cc1ccc(NC(=O)N(C)CCC2CC2)c(C)[nH+]1 ZINC000178799542 385419509 /nfs/dbraw/zinc/41/95/09/385419509.db2.gz YPWVIRYTMSVICA-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO C[C@H]1OCC[C@@H]1SCc1cn2ccccc2[nH+]1 ZINC000178841214 385421094 /nfs/dbraw/zinc/42/10/94/385421094.db2.gz RNCVMHJNTYVCKV-PWSUYJOCSA-N 1 2 248.351 2.745 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)Cc2ccccc2)o1 ZINC000170691700 385439923 /nfs/dbraw/zinc/43/99/23/385439923.db2.gz WDQCQQATLZOBSP-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000170691700 385439929 /nfs/dbraw/zinc/43/99/29/385439929.db2.gz WDQCQQATLZOBSP-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816071 385441168 /nfs/dbraw/zinc/44/11/68/385441168.db2.gz YZPNUESIWQWIQZ-SBDDDAINSA-N 1 2 247.342 2.604 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccccc1Cl ZINC000289814969 385488435 /nfs/dbraw/zinc/48/84/35/385488435.db2.gz IYYAIQZDZZJYOF-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccccc1Cl ZINC000289814969 385488439 /nfs/dbraw/zinc/48/84/39/385488439.db2.gz IYYAIQZDZZJYOF-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO CC(C)C(=O)CSc1[nH+]cc2ccccn21 ZINC000170964615 385459391 /nfs/dbraw/zinc/45/93/91/385459391.db2.gz ITWICNPJCQMPPP-UHFFFAOYSA-N 1 2 234.324 2.652 20 0 BFADLO C[N@H+](CCCc1ccccc1)Cc1csnn1 ZINC000179317231 385459794 /nfs/dbraw/zinc/45/97/94/385459794.db2.gz GQTJPEDILXXEMP-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO C[N@@H+](CCCc1ccccc1)Cc1csnn1 ZINC000179317231 385459796 /nfs/dbraw/zinc/45/97/96/385459796.db2.gz GQTJPEDILXXEMP-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000378756382 385490483 /nfs/dbraw/zinc/49/04/83/385490483.db2.gz SOWIZIMVTFDYCN-UHFFFAOYSA-N 1 2 224.254 2.913 20 0 BFADLO Cc1ccc(C)c(C(=O)Nc2cc[nH+]cc2O)c1 ZINC000109889607 385490516 /nfs/dbraw/zinc/49/05/16/385490516.db2.gz ADZAKAQATPWEMU-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)C1CCCC1 ZINC000179845181 385493742 /nfs/dbraw/zinc/49/37/42/385493742.db2.gz XADZBFCSWSQGBL-UHFFFAOYSA-N 1 2 233.315 2.796 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@@H](C)CC)no1 ZINC000111253603 385498282 /nfs/dbraw/zinc/49/82/82/385498282.db2.gz HOIFQNVFROXNRQ-JTQLQIEISA-N 1 2 225.336 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@@H](C)CC)no1 ZINC000111253603 385498286 /nfs/dbraw/zinc/49/82/86/385498286.db2.gz HOIFQNVFROXNRQ-JTQLQIEISA-N 1 2 225.336 2.500 20 0 BFADLO CC(C)c1nc(N2C[C@H](C)OC(C)(C)C2)cc[nH+]1 ZINC000106465155 385510951 /nfs/dbraw/zinc/51/09/51/385510951.db2.gz YIYNDNCMXLSJCO-NSHDSACASA-N 1 2 249.358 2.604 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccncc1F ZINC000334606996 385586317 /nfs/dbraw/zinc/58/63/17/385586317.db2.gz ZKOLTRAFQIDCII-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccncc1F ZINC000334606996 385586322 /nfs/dbraw/zinc/58/63/22/385586322.db2.gz ZKOLTRAFQIDCII-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1cccc(F)c1F ZINC000181950982 385621408 /nfs/dbraw/zinc/62/14/08/385621408.db2.gz YCFOSBJHHMPKQU-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[N@H+](CCCOCc1ccccc1)CC(F)F ZINC000337369797 385623915 /nfs/dbraw/zinc/62/39/15/385623915.db2.gz OQYGSSRUDWXEKD-UHFFFAOYSA-N 1 2 243.297 2.790 20 0 BFADLO C[N@@H+](CCCOCc1ccccc1)CC(F)F ZINC000337369797 385623922 /nfs/dbraw/zinc/62/39/22/385623922.db2.gz OQYGSSRUDWXEKD-UHFFFAOYSA-N 1 2 243.297 2.790 20 0 BFADLO c1nc(C[NH2+][C@H]2CCCOc3ccccc32)co1 ZINC000182063555 385633393 /nfs/dbraw/zinc/63/33/93/385633393.db2.gz WKOOXGJZUFZDQL-ZDUSSCGKSA-N 1 2 244.294 2.678 20 0 BFADLO c1nc(CNc2ccc3c(c2)CCC[NH2+]3)co1 ZINC000414851279 385648697 /nfs/dbraw/zinc/64/86/97/385648697.db2.gz OFLSIIOFGVOWKG-UHFFFAOYSA-N 1 2 229.283 2.645 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000337433140 385659300 /nfs/dbraw/zinc/65/93/00/385659300.db2.gz ZYIZZLYUAUETEF-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000337433140 385659303 /nfs/dbraw/zinc/65/93/03/385659303.db2.gz ZYIZZLYUAUETEF-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO CC(C)(C)CNc1ccc(-c2cncnc2)c[nH+]1 ZINC000281930186 385717036 /nfs/dbraw/zinc/71/70/36/385717036.db2.gz PYJRNVXRNFVNPR-UHFFFAOYSA-N 1 2 242.326 2.997 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)[C@H]1C ZINC000270543724 385717431 /nfs/dbraw/zinc/71/74/31/385717431.db2.gz CYDSNJRVVYUDJW-MNOVXSKESA-N 1 2 229.327 2.808 20 0 BFADLO COc1cc(C)nc(C[N@H+](C)Cc2ccco2)c1 ZINC000270212413 385684672 /nfs/dbraw/zinc/68/46/72/385684672.db2.gz DSKKBNWIZSKVTH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc(C)nc(C[N@@H+](C)Cc2ccco2)c1 ZINC000270212413 385684678 /nfs/dbraw/zinc/68/46/78/385684678.db2.gz DSKKBNWIZSKVTH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1csc([C@@H](C)CNc2cc[nH+]c(C)n2)n1 ZINC000182593743 385687058 /nfs/dbraw/zinc/68/70/58/385687058.db2.gz LMBDIIGNJMCNBM-QMMMGPOBSA-N 1 2 248.355 2.766 20 0 BFADLO CC[C@H](Nc1ccc(OC)cc1)c1[nH+]ccn1C ZINC000182678022 385695141 /nfs/dbraw/zinc/69/51/41/385695141.db2.gz KIIRMAGHDBLIPL-ZDUSSCGKSA-N 1 2 245.326 2.992 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCCSC2)cc[nH+]1 ZINC000309570371 385701298 /nfs/dbraw/zinc/70/12/98/385701298.db2.gz NLNGLCWQMXMBLI-SNVBAGLBSA-N 1 2 237.372 2.908 20 0 BFADLO CCO[C@@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C12CCC2 ZINC000337556913 385702411 /nfs/dbraw/zinc/70/24/11/385702411.db2.gz SBEZQSXBPIJILH-NXEZZACHSA-N 1 2 245.313 2.721 20 0 BFADLO FC(F)C1([NH2+]Cc2cccs2)CC1 ZINC000308186026 385708871 /nfs/dbraw/zinc/70/88/71/385708871.db2.gz JCCPYVNCIXCPJW-UHFFFAOYSA-N 1 2 203.257 2.635 20 0 BFADLO COCC[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000182849675 385713977 /nfs/dbraw/zinc/71/39/77/385713977.db2.gz LUBZUAKFOHOOJU-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000182849675 385713981 /nfs/dbraw/zinc/71/39/81/385713981.db2.gz LUBZUAKFOHOOJU-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO CCc1nc(C[N@H+]2CC=C(C)CC2)cs1 ZINC000270095789 385668138 /nfs/dbraw/zinc/66/81/38/385668138.db2.gz BBMNLOHRFDRFSN-UHFFFAOYSA-N 1 2 222.357 2.858 20 0 BFADLO CCc1nc(C[N@@H+]2CC=C(C)CC2)cs1 ZINC000270095789 385668140 /nfs/dbraw/zinc/66/81/40/385668140.db2.gz BBMNLOHRFDRFSN-UHFFFAOYSA-N 1 2 222.357 2.858 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000293962584 385775532 /nfs/dbraw/zinc/77/55/32/385775532.db2.gz PZYQDWQDSCIHCK-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO CCN(CC)c1ccc(NC[C@H]2C[C@@H]2C)c[nH+]1 ZINC000488426944 385777794 /nfs/dbraw/zinc/77/77/94/385777794.db2.gz IWQQLPQYUCEJIU-NWDGAFQWSA-N 1 2 233.359 2.996 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000293980653 385779586 /nfs/dbraw/zinc/77/95/86/385779586.db2.gz IJKSLQOJCUEWPP-NEPJUHHUSA-N 1 2 231.343 2.800 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(F)(F)F ZINC000309666568 385782631 /nfs/dbraw/zinc/78/26/31/385782631.db2.gz UKMPAMBGTQWFAV-BBBLOLIVSA-N 1 2 239.281 2.732 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000270600232 385721975 /nfs/dbraw/zinc/72/19/75/385721975.db2.gz VSJSCADDAXRCRI-ZJUUUORDSA-N 1 2 215.300 2.798 20 0 BFADLO FC(F)(F)C1=CC[N@H+](Cc2cncs2)CC1 ZINC000271217480 385806917 /nfs/dbraw/zinc/80/69/17/385806917.db2.gz XMIGZNMEBXNEKL-UHFFFAOYSA-N 1 2 248.273 2.838 20 0 BFADLO FC(F)(F)C1=CC[N@@H+](Cc2cncs2)CC1 ZINC000271217480 385806920 /nfs/dbraw/zinc/80/69/20/385806920.db2.gz XMIGZNMEBXNEKL-UHFFFAOYSA-N 1 2 248.273 2.838 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(F)c1F ZINC000231632887 385809228 /nfs/dbraw/zinc/80/92/28/385809228.db2.gz FNSQVXQYOVYJGJ-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1ccc(N[C@@H]2CCCOCC2)c(C)[nH+]1 ZINC000087151889 385812038 /nfs/dbraw/zinc/81/20/38/385812038.db2.gz WUPFHMWVAGUVDG-GFCCVEGCSA-N 1 2 220.316 2.679 20 0 BFADLO COC(=O)[C@H]([NH2+]CCC1CC1)c1ccccc1C ZINC000120680759 385817774 /nfs/dbraw/zinc/81/77/74/385817774.db2.gz UDWJPCZTCAOCHS-CQSZACIVSA-N 1 2 247.338 2.599 20 0 BFADLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccco2)[nH]1 ZINC000271457675 385829950 /nfs/dbraw/zinc/82/99/50/385829950.db2.gz GVXMCHJYRMWCGT-ZJUUUORDSA-N 1 2 248.330 2.933 20 0 BFADLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccco2)[nH]1 ZINC000271457670 385830006 /nfs/dbraw/zinc/83/00/06/385830006.db2.gz GVXMCHJYRMWCGT-UWVGGRQHSA-N 1 2 248.330 2.933 20 0 BFADLO Fc1ccc2oc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2c1 ZINC000644836639 385843979 /nfs/dbraw/zinc/84/39/79/385843979.db2.gz DODYNXLTCBRAEE-OCCSQVGLSA-N 1 2 247.269 2.545 20 0 BFADLO Fc1ccc2oc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2c1 ZINC000644836639 385843984 /nfs/dbraw/zinc/84/39/84/385843984.db2.gz DODYNXLTCBRAEE-OCCSQVGLSA-N 1 2 247.269 2.545 20 0 BFADLO CCCCC[C@@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000271772625 385849424 /nfs/dbraw/zinc/84/94/24/385849424.db2.gz GKAUOSYIWOIUGC-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1cc(C[N@H+](C)CCSC(C)(C)C)no1 ZINC000284096926 385851054 /nfs/dbraw/zinc/85/10/54/385851054.db2.gz SVSTUQQFADGFGR-UHFFFAOYSA-N 1 2 242.388 2.947 20 0 BFADLO Cc1cc(C[N@@H+](C)CCSC(C)(C)C)no1 ZINC000284096926 385851060 /nfs/dbraw/zinc/85/10/60/385851060.db2.gz SVSTUQQFADGFGR-UHFFFAOYSA-N 1 2 242.388 2.947 20 0 BFADLO C[C@@H](CCO)C1(CNc2cccc[nH+]2)CCC1 ZINC000271832542 385853124 /nfs/dbraw/zinc/85/31/24/385853124.db2.gz PCABHHUHQRFSNK-LBPRGKRZSA-N 1 2 234.343 2.682 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)C(C)C ZINC000271148749 385792516 /nfs/dbraw/zinc/79/25/16/385792516.db2.gz SENBHPQLOQAJPA-LLVKDONJSA-N 1 2 235.331 2.898 20 0 BFADLO Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c[nH+]1 ZINC000272283163 385891000 /nfs/dbraw/zinc/89/10/00/385891000.db2.gz OWULXGRVSDORIC-MJBXVCDLSA-N 1 2 244.338 2.760 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccn2C)c(C)c1 ZINC000272341251 385896175 /nfs/dbraw/zinc/89/61/75/385896175.db2.gz HXNJQUCFXBPIEC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccn2C)c(C)c1 ZINC000272341251 385896181 /nfs/dbraw/zinc/89/61/81/385896181.db2.gz HXNJQUCFXBPIEC-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC(CF)CC1 ZINC000294879289 385907889 /nfs/dbraw/zinc/90/78/89/385907889.db2.gz BTWUAXFZIQUHRR-UHFFFAOYSA-N 1 2 247.317 2.759 20 0 BFADLO CSCc1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000285435892 385923342 /nfs/dbraw/zinc/92/33/42/385923342.db2.gz HTNBOYUJVDUBPR-UHFFFAOYSA-N 1 2 247.367 2.563 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCCO1 ZINC000271913743 385861332 /nfs/dbraw/zinc/86/13/32/385861332.db2.gz BGGAMLURPXOTJK-CMPLNLGQSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)cc1C ZINC000284354711 385863376 /nfs/dbraw/zinc/86/33/76/385863376.db2.gz YURIEADRQFPWSG-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000272059703 385872420 /nfs/dbraw/zinc/87/24/20/385872420.db2.gz RWKDSRQDZZKTIW-FZMZJTMJSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000414053608 385933030 /nfs/dbraw/zinc/93/30/30/385933030.db2.gz AXIMKRXAAAKMNG-GHMZBOCLSA-N 1 2 233.315 2.733 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2(C)CCC2)c[nH+]1 ZINC000335042785 385937196 /nfs/dbraw/zinc/93/71/96/385937196.db2.gz GRNUIARWAQPYNV-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CC/C=C/CNc1cc[nH+]c(C2CC2)n1 ZINC000295011707 385942143 /nfs/dbraw/zinc/94/21/43/385942143.db2.gz PJXALAAQFADDOG-ONEGZZNKSA-N 1 2 203.289 2.732 20 0 BFADLO Cc1ccnc(NCCCc2[nH+]cccc2C)n1 ZINC000295026781 385946096 /nfs/dbraw/zinc/94/60/96/385946096.db2.gz REOQPYHBDOFJNP-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCO1 ZINC000335052660 385951310 /nfs/dbraw/zinc/95/13/10/385951310.db2.gz FMPMRTNLMSCRGV-YGRLFVJLSA-N 1 2 232.327 2.634 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccnn1C ZINC000335054169 385953669 /nfs/dbraw/zinc/95/36/69/385953669.db2.gz NLLKJXHKDDJPHI-SNVBAGLBSA-N 1 2 242.326 2.561 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCN2)[C@@H]1CCCOC1 ZINC000335057076 385956059 /nfs/dbraw/zinc/95/60/59/385956059.db2.gz WXYCWORPQVKNNL-WCQYABFASA-N 1 2 246.354 2.882 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCOC1 ZINC000335057076 385956064 /nfs/dbraw/zinc/95/60/64/385956064.db2.gz WXYCWORPQVKNNL-WCQYABFASA-N 1 2 246.354 2.882 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCC1=O ZINC000335057079 385956868 /nfs/dbraw/zinc/95/68/68/385956868.db2.gz CXGZVGJBZJLWCB-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCC1=O ZINC000335057079 385956874 /nfs/dbraw/zinc/95/68/74/385956874.db2.gz CXGZVGJBZJLWCB-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO Cc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)co1 ZINC000335058470 385958625 /nfs/dbraw/zinc/95/86/25/385958625.db2.gz ZWEJLYJRRJPWDR-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO CCC1CC[NH+](Cc2nc(C(F)F)no2)CC1 ZINC000425404116 385967897 /nfs/dbraw/zinc/96/78/97/385967897.db2.gz JLJBDQTWIIIAFO-UHFFFAOYSA-N 1 2 245.273 2.629 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC000295263512 386003606 /nfs/dbraw/zinc/00/36/06/386003606.db2.gz BWNHEHQYYZGNBY-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000295263512 386003612 /nfs/dbraw/zinc/00/36/12/386003612.db2.gz BWNHEHQYYZGNBY-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1cncs1)c1ccon1 ZINC000336751997 386012828 /nfs/dbraw/zinc/01/28/28/386012828.db2.gz GUEDWMWVHXSZBM-HTQZYQBOSA-N 1 2 223.301 2.543 20 0 BFADLO Cc1ccc(Cc2noc(C3(C)CCC3)n2)c[nH+]1 ZINC000273674075 386022438 /nfs/dbraw/zinc/02/24/38/386022438.db2.gz ATPMEKIOSBVAII-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO CCc1ccc([C@@H](O)CNc2cccc[nH+]2)cc1 ZINC000286379793 386032637 /nfs/dbraw/zinc/03/26/37/386032637.db2.gz FTCAGCAZJPTFLP-AWEZNQCLSA-N 1 2 242.322 2.790 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@@H+]2CCCCF)o1 ZINC000286461695 386039811 /nfs/dbraw/zinc/03/98/11/386039811.db2.gz OQPCNPOSOXIKHM-LBPRGKRZSA-N 1 2 241.306 2.711 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@H+]2CCCCF)o1 ZINC000286461695 386039818 /nfs/dbraw/zinc/03/98/18/386039818.db2.gz OQPCNPOSOXIKHM-LBPRGKRZSA-N 1 2 241.306 2.711 20 0 BFADLO CS[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273951852 386052905 /nfs/dbraw/zinc/05/29/05/386052905.db2.gz OFPMETLWZLOINV-VIFPVBQESA-N 1 2 249.339 2.788 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(C)nc1)C2 ZINC000334461145 386123683 /nfs/dbraw/zinc/12/36/83/386123683.db2.gz OLUOEUOLSRFWOH-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(C)nc1)C2 ZINC000334461145 386123688 /nfs/dbraw/zinc/12/36/88/386123688.db2.gz OLUOEUOLSRFWOH-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CC(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831080 386111304 /nfs/dbraw/zinc/11/13/04/386111304.db2.gz VXYWFRHVYXYWHH-UHFFFAOYSA-N 1 2 229.283 2.671 20 0 BFADLO CCCC1(CNc2cc[nH+]c(C)n2)CC1 ZINC000162852086 386115009 /nfs/dbraw/zinc/11/50/09/386115009.db2.gz HNLMXLJBCFZUNQ-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@](C)(F)C2)cs1 ZINC000295976279 386117687 /nfs/dbraw/zinc/11/76/87/386117687.db2.gz JBUWDFKATUKQSW-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@](C)(F)C2)cs1 ZINC000295976279 386117696 /nfs/dbraw/zinc/11/76/96/386117696.db2.gz JBUWDFKATUKQSW-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ccn(CC)n2)o1 ZINC000414205675 386060098 /nfs/dbraw/zinc/06/00/98/386060098.db2.gz HRQMYCQLPZADKC-LLVKDONJSA-N 1 2 247.342 2.909 20 0 BFADLO CC/C(C)=C/C(=O)Nc1cc[nH+]cc1CC ZINC000295793785 386087726 /nfs/dbraw/zinc/08/77/26/386087726.db2.gz KBQYKQLAOUCCKI-CSKARUKUSA-N 1 2 218.300 2.939 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)C(=O)Nc1ccccc1 ZINC000075610597 386088310 /nfs/dbraw/zinc/08/83/10/386088310.db2.gz LBRASIYFOPKRFI-NSHDSACASA-N 1 2 241.294 2.521 20 0 BFADLO CCCCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000295809823 386090762 /nfs/dbraw/zinc/09/07/62/386090762.db2.gz GTKZYLADBFBYSV-GFCCVEGCSA-N 1 2 249.358 2.520 20 0 BFADLO Cc1cc(N[C@H]2C[C@@]2(C)c2ccccc2)nc[nH+]1 ZINC000608089297 386100305 /nfs/dbraw/zinc/10/03/05/386100305.db2.gz LCOXQLNHDVIPSE-ZFWWWQNUSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@]2(C)c2ccccc2)nc[nH+]1 ZINC000608089295 386100360 /nfs/dbraw/zinc/10/03/60/386100360.db2.gz LCOXQLNHDVIPSE-HIFRSBDPSA-N 1 2 239.322 2.927 20 0 BFADLO C[C@H](CNc1cccc[nH+]1)CC(F)F ZINC000645303735 386146427 /nfs/dbraw/zinc/14/64/27/386146427.db2.gz KEKBJQIQGPJVRD-QMMMGPOBSA-N 1 2 200.232 2.785 20 0 BFADLO CC[C@H](F)C[N@@H+]1Cc2cccc(F)c2C1 ZINC000335155330 386149945 /nfs/dbraw/zinc/14/99/45/386149945.db2.gz KQLLQQQARTZKQP-JTQLQIEISA-N 1 2 211.255 2.889 20 0 BFADLO CC[C@H](F)C[N@H+]1Cc2cccc(F)c2C1 ZINC000335155330 386149950 /nfs/dbraw/zinc/14/99/50/386149950.db2.gz KQLLQQQARTZKQP-JTQLQIEISA-N 1 2 211.255 2.889 20 0 BFADLO COC[C@H](C)[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000335156968 386150470 /nfs/dbraw/zinc/15/04/70/386150470.db2.gz ASDTZRSYXBCMRK-VIFPVBQESA-N 1 2 225.719 2.691 20 0 BFADLO COC[C@H](C)[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000335156968 386150475 /nfs/dbraw/zinc/15/04/75/386150475.db2.gz ASDTZRSYXBCMRK-VIFPVBQESA-N 1 2 225.719 2.691 20 0 BFADLO c1cncc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000334476387 386156532 /nfs/dbraw/zinc/15/65/32/386156532.db2.gz NKWGHEVFIFXPHO-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO Cc1occc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000414371731 386169351 /nfs/dbraw/zinc/16/93/51/386169351.db2.gz NTUYNTDOMBWKAC-LLVKDONJSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1occc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000414371731 386169356 /nfs/dbraw/zinc/16/93/56/386169356.db2.gz NTUYNTDOMBWKAC-LLVKDONJSA-N 1 2 230.311 2.966 20 0 BFADLO FCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000436315850 386171556 /nfs/dbraw/zinc/17/15/56/386171556.db2.gz QPYTZWPHORDDFA-AWEZNQCLSA-N 1 2 248.276 2.869 20 0 BFADLO Cc1ccc(NC(=O)N2CCC=C(F)C2)c(C)[nH+]1 ZINC000274680174 386138390 /nfs/dbraw/zinc/13/83/90/386138390.db2.gz WNKOYNZUPTXPSO-UHFFFAOYSA-N 1 2 249.289 2.789 20 0 BFADLO COCC[C@H](Nc1cccc[nH+]1)c1ccco1 ZINC000355579507 386222282 /nfs/dbraw/zinc/22/22/82/386222282.db2.gz WYJIXUKBBGBJSR-NSHDSACASA-N 1 2 232.283 2.864 20 0 BFADLO CCCCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000275786923 386239551 /nfs/dbraw/zinc/23/95/51/386239551.db2.gz DDIJBEKAFYKPPX-CYBMUJFWSA-N 1 2 244.342 2.674 20 0 BFADLO CCc1cc(NC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000264538822 386245823 /nfs/dbraw/zinc/24/58/23/386245823.db2.gz ANAXZYJGWCCTQI-UHFFFAOYSA-N 1 2 242.326 2.921 20 0 BFADLO CC[C@H](C)c1noc(Cc2ccc[nH+]c2C)n1 ZINC000289023511 386252417 /nfs/dbraw/zinc/25/24/17/386252417.db2.gz PIFUSQPPYKQNJX-VIFPVBQESA-N 1 2 231.299 2.877 20 0 BFADLO C[C@@H]1CC[N@H+](CCOC2CCC2)CC1(F)F ZINC000347139479 386257292 /nfs/dbraw/zinc/25/72/92/386257292.db2.gz YSPIUHVIZDLXMY-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CC[N@@H+](CCOC2CCC2)CC1(F)F ZINC000347139479 386257295 /nfs/dbraw/zinc/25/72/95/386257295.db2.gz YSPIUHVIZDLXMY-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H](C[NH+]=c1[nH]c2ccccc2[nH]1)CC(F)F ZINC000645305385 386193407 /nfs/dbraw/zinc/19/34/07/386193407.db2.gz PSZHMLBMIWEUSH-MRVPVSSYSA-N 1 2 239.269 2.688 20 0 BFADLO CCCCCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263943776 386195097 /nfs/dbraw/zinc/19/50/97/386195097.db2.gz LAMLPRFGNNIMMO-GFCCVEGCSA-N 1 2 249.358 2.696 20 0 BFADLO CCc1c(C(=O)Nc2cc[nH+]c(C)c2)ccn1C ZINC000289531005 386324311 /nfs/dbraw/zinc/32/43/11/386324311.db2.gz NHQXTTOJTPKCKY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000264935299 386286200 /nfs/dbraw/zinc/28/62/00/386286200.db2.gz RBOMWZZOHHAGDS-JTQLQIEISA-N 1 2 219.332 2.835 20 0 BFADLO CCCCC(=O)Nc1cc[nH+]cc1CC ZINC000264993930 386294165 /nfs/dbraw/zinc/29/41/65/386294165.db2.gz KOKQVOCWNIGVSW-UHFFFAOYSA-N 1 2 206.289 2.773 20 0 BFADLO Cc1ccc2[nH+]c(/C=C/c3ccncn3)cn2c1 ZINC000340590162 386295913 /nfs/dbraw/zinc/29/59/13/386295913.db2.gz AQINKNDWZLISHH-ONEGZZNKSA-N 1 2 236.278 2.603 20 0 BFADLO c1cn(CCc2nc(C3CCCCC3)no2)c[nH+]1 ZINC000265039467 386299506 /nfs/dbraw/zinc/29/95/06/386299506.db2.gz QMKGBQQSWWZZGU-UHFFFAOYSA-N 1 2 246.314 2.557 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000265048251 386300298 /nfs/dbraw/zinc/30/02/98/386300298.db2.gz PDWUSHJEMAUKSW-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000265048251 386300300 /nfs/dbraw/zinc/30/03/00/386300300.db2.gz PDWUSHJEMAUKSW-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000265080788 386302234 /nfs/dbraw/zinc/30/22/34/386302234.db2.gz XNZNHQCRODOKOI-RYUDHWBXSA-N 1 2 249.358 2.552 20 0 BFADLO C[C@]12CC[N@H+](Cc3nccs3)C[C@H]1C2(F)F ZINC000298441112 386343457 /nfs/dbraw/zinc/34/34/57/386343457.db2.gz ZARPKVPHNKDDKY-SCZZXKLOSA-N 1 2 244.310 2.620 20 0 BFADLO C[C@]12CC[N@@H+](Cc3nccs3)C[C@H]1C2(F)F ZINC000298441112 386343460 /nfs/dbraw/zinc/34/34/60/386343460.db2.gz ZARPKVPHNKDDKY-SCZZXKLOSA-N 1 2 244.310 2.620 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccncc1 ZINC000436469491 386350563 /nfs/dbraw/zinc/35/05/63/386350563.db2.gz CGFHYFGYLPXOJA-GXSJLCMTSA-N 1 2 248.355 2.735 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000276657094 386359750 /nfs/dbraw/zinc/35/97/50/386359750.db2.gz SQPBYXICYRCIHE-NWDGAFQWSA-N 1 2 247.342 2.579 20 0 BFADLO CCCCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276671627 386362751 /nfs/dbraw/zinc/36/27/51/386362751.db2.gz NSYYRZPXHIVBKJ-AEZGRPFRSA-N 1 2 235.331 2.508 20 0 BFADLO Cc1ccoc1C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000289898730 386367324 /nfs/dbraw/zinc/36/73/24/386367324.db2.gz UELYSHUDXMCNLA-NSHDSACASA-N 1 2 247.298 2.617 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000289898730 386367327 /nfs/dbraw/zinc/36/73/27/386367327.db2.gz UELYSHUDXMCNLA-NSHDSACASA-N 1 2 247.298 2.617 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CCc3sccc3C2)o1 ZINC000298669526 386368694 /nfs/dbraw/zinc/36/86/94/386368694.db2.gz FDTUKNPFQJUHBX-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CCc3sccc3C2)o1 ZINC000298669526 386368699 /nfs/dbraw/zinc/36/86/99/386368699.db2.gz FDTUKNPFQJUHBX-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO C[C@H](CO)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000134960169 386452682 /nfs/dbraw/zinc/45/26/82/386452682.db2.gz BPMMGFOOCOSGFK-MNOVXSKESA-N 1 2 230.311 2.664 20 0 BFADLO CCOc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000266470911 386439987 /nfs/dbraw/zinc/43/99/87/386439987.db2.gz ZULQMXMTIIVDPV-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2C)o1 ZINC000266500972 386443037 /nfs/dbraw/zinc/44/30/37/386443037.db2.gz AGFGZFVDNGTBJZ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000266500972 386443045 /nfs/dbraw/zinc/44/30/45/386443045.db2.gz AGFGZFVDNGTBJZ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000276924616 386391901 /nfs/dbraw/zinc/39/19/01/386391901.db2.gz LKFJQQUNZMCEOH-RSKUSDAESA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000276924616 386391902 /nfs/dbraw/zinc/39/19/02/386391902.db2.gz LKFJQQUNZMCEOH-RSKUSDAESA-N 1 2 247.338 2.583 20 0 BFADLO CCC[C@H](O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000226800622 386392938 /nfs/dbraw/zinc/39/29/38/386392938.db2.gz ISKFXAPZWOVYPO-VIFPVBQESA-N 1 2 248.248 2.673 20 0 BFADLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cocn1 ZINC000277035338 386399803 /nfs/dbraw/zinc/39/98/03/386399803.db2.gz OLBCWAZRLJMWTO-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1F)c1ccon1 ZINC000336776380 386400982 /nfs/dbraw/zinc/40/09/82/386400982.db2.gz FQZOYQFGVIKKKO-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1ccc(NC(=O)CC(C)(F)F)c(C)[nH+]1 ZINC000277081343 386405393 /nfs/dbraw/zinc/40/53/93/386405393.db2.gz UKGFBBTVPJKCAF-UHFFFAOYSA-N 1 2 228.242 2.682 20 0 BFADLO CCC[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266174928 386408903 /nfs/dbraw/zinc/40/89/03/386408903.db2.gz ZIGPEOYVSKCKOI-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO CO[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000266249152 386416283 /nfs/dbraw/zinc/41/62/83/386416283.db2.gz MRDKDYJTWLRGCJ-RYUDHWBXSA-N 1 2 247.342 2.724 20 0 BFADLO CC[N@H+](CCCc1cnccc1C)CC(F)F ZINC000290307724 386419240 /nfs/dbraw/zinc/41/92/40/386419240.db2.gz IMYXCMYCOIVAOP-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO CC[N@@H+](CCCc1cnccc1C)CC(F)F ZINC000290307724 386419245 /nfs/dbraw/zinc/41/92/45/386419245.db2.gz IMYXCMYCOIVAOP-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000290354237 386421432 /nfs/dbraw/zinc/42/14/32/386421432.db2.gz FWXJQIFXUIWNMF-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000290354237 386421437 /nfs/dbraw/zinc/42/14/37/386421437.db2.gz FWXJQIFXUIWNMF-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000290354237 386421441 /nfs/dbraw/zinc/42/14/41/386421441.db2.gz FWXJQIFXUIWNMF-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000290354237 386421449 /nfs/dbraw/zinc/42/14/49/386421449.db2.gz FWXJQIFXUIWNMF-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000290354238 386423221 /nfs/dbraw/zinc/42/32/21/386423221.db2.gz FWXJQIFXUIWNMF-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)c1ccco1 ZINC000290354238 386423224 /nfs/dbraw/zinc/42/32/24/386423224.db2.gz FWXJQIFXUIWNMF-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000290354238 386423226 /nfs/dbraw/zinc/42/32/26/386423226.db2.gz FWXJQIFXUIWNMF-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000290354238 386423233 /nfs/dbraw/zinc/42/32/33/386423233.db2.gz FWXJQIFXUIWNMF-SNVBAGLBSA-N 1 2 219.288 2.504 20 0 BFADLO C[N@H+](Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000290368130 386425750 /nfs/dbraw/zinc/42/57/50/386425750.db2.gz HKIRPSKACKFIGX-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1ccnc(Cl)c1Cl)C1CC1 ZINC000290368130 386425755 /nfs/dbraw/zinc/42/57/55/386425755.db2.gz HKIRPSKACKFIGX-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000290366280 386425890 /nfs/dbraw/zinc/42/58/90/386425890.db2.gz HHGVPDJGBYLMHG-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000290366280 386425895 /nfs/dbraw/zinc/42/58/95/386425895.db2.gz HHGVPDJGBYLMHG-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000290366280 386425901 /nfs/dbraw/zinc/42/59/01/386425901.db2.gz HHGVPDJGBYLMHG-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000290366280 386425906 /nfs/dbraw/zinc/42/59/06/386425906.db2.gz HHGVPDJGBYLMHG-LLVKDONJSA-N 1 2 245.326 2.617 20 0 BFADLO C[C@@H]1CCC[C@H](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000347520526 386429376 /nfs/dbraw/zinc/42/93/76/386429376.db2.gz UFWGCFPCRUDOAW-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1nc(N(C)CCc2ccc(F)cc2)cc[nH+]1 ZINC000266351608 386429233 /nfs/dbraw/zinc/42/92/33/386429233.db2.gz JQOSAJPQDTZPGT-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cn[nH]c1C ZINC000290440777 386436119 /nfs/dbraw/zinc/43/61/19/386436119.db2.gz LVBMUQUJCRRYJE-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cn[nH]c1C ZINC000290440777 386436127 /nfs/dbraw/zinc/43/61/27/386436127.db2.gz LVBMUQUJCRRYJE-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2cocn2)CC1 ZINC000277866200 386471898 /nfs/dbraw/zinc/47/18/98/386471898.db2.gz DBWXWAKIVOGWMI-UHFFFAOYSA-N 1 2 220.316 2.853 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2cocn2)CC1 ZINC000277866200 386471899 /nfs/dbraw/zinc/47/18/99/386471899.db2.gz DBWXWAKIVOGWMI-UHFFFAOYSA-N 1 2 220.316 2.853 20 0 BFADLO CC[N@H+](C[C@@H]1CCOC1)c1ccccc1C ZINC000339579511 386472220 /nfs/dbraw/zinc/47/22/20/386472220.db2.gz CPKBAWUFXPLWOF-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@@H]1CCOC1)c1ccccc1C ZINC000339579511 386472228 /nfs/dbraw/zinc/47/22/28/386472228.db2.gz CPKBAWUFXPLWOF-ZDUSSCGKSA-N 1 2 219.328 2.858 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339574832 386473027 /nfs/dbraw/zinc/47/30/27/386473027.db2.gz KQDOAYDISLKICU-BBBLOLIVSA-N 1 2 223.320 2.594 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)n1 ZINC000339574832 386473035 /nfs/dbraw/zinc/47/30/35/386473035.db2.gz KQDOAYDISLKICU-BBBLOLIVSA-N 1 2 223.320 2.594 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)[C@H]1CCOC1)C(F)(F)F ZINC000336741162 386482105 /nfs/dbraw/zinc/48/21/05/386482105.db2.gz QUMZIVTWJRXKCK-LPEHRKFASA-N 1 2 239.281 2.732 20 0 BFADLO CSCCCN(C)c1[nH+]c2ccccc2n1C ZINC000290934625 386488249 /nfs/dbraw/zinc/48/82/49/386488249.db2.gz KLWLBXATOMCNTC-UHFFFAOYSA-N 1 2 249.383 2.763 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3ncccc3C2)c1 ZINC000366446885 386490790 /nfs/dbraw/zinc/49/07/90/386490790.db2.gz YGVUTJWLCAMKSU-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3ncccc3C2)c1 ZINC000366446885 386490794 /nfs/dbraw/zinc/49/07/94/386490794.db2.gz YGVUTJWLCAMKSU-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1ccc(Cc2nc(-c3ccco3)no2)c[nH+]1 ZINC000340653401 386493792 /nfs/dbraw/zinc/49/37/92/386493792.db2.gz HONAFFNEJBUPIT-UHFFFAOYSA-N 1 2 241.250 2.624 20 0 BFADLO COc1cc(C)cc(NCc2[nH+]ccn2C)c1C ZINC000278192077 386500397 /nfs/dbraw/zinc/50/03/97/386500397.db2.gz BZXOWGUYDMUNDW-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)CC1CCCC1 ZINC000267134864 386501289 /nfs/dbraw/zinc/50/12/89/386501289.db2.gz WRUUIHNEGJAPSK-JTQLQIEISA-N 1 2 249.358 2.551 20 0 BFADLO Cc1cc(N2CCCC[C@@H]2C2CCC2)nc[nH+]1 ZINC000645410209 386506452 /nfs/dbraw/zinc/50/64/52/386506452.db2.gz DSXIRBLPMRKYAR-CYBMUJFWSA-N 1 2 231.343 2.944 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)c1ccccc1C)C1CC1 ZINC000227767442 386512445 /nfs/dbraw/zinc/51/24/45/386512445.db2.gz XHECHQWYSMEMFF-BXUZGUMPSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1ccc(NC(=O)NC2CCCC2)c(C)[nH+]1 ZINC000122692629 386515019 /nfs/dbraw/zinc/51/50/19/386515019.db2.gz BBZUIINZGOHBES-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](CC3CC3)C2)no1 ZINC000339674028 386515711 /nfs/dbraw/zinc/51/57/11/386515711.db2.gz JNNIGFAXNFTOBY-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](CC3CC3)C2)no1 ZINC000339674028 386515716 /nfs/dbraw/zinc/51/57/16/386515716.db2.gz JNNIGFAXNFTOBY-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CN(C[C@@H]1CCOC1)c1ccc2ccccc2[nH+]1 ZINC000267305901 386524847 /nfs/dbraw/zinc/52/48/47/386524847.db2.gz VVNJLQCBFYDBFE-LBPRGKRZSA-N 1 2 242.322 2.708 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccco2)cn1 ZINC000336720987 386455753 /nfs/dbraw/zinc/45/57/53/386455753.db2.gz YURKITDULGSKSG-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccco2)cn1 ZINC000336720987 386455759 /nfs/dbraw/zinc/45/57/59/386455759.db2.gz YURKITDULGSKSG-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CCCCCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000299495719 386459607 /nfs/dbraw/zinc/45/96/07/386459607.db2.gz HAOPXQMXMZLDFI-UHFFFAOYSA-N 1 2 249.358 2.627 20 0 BFADLO Cc1ccc(C)c(OCc2c[nH+]cn2C)c1C ZINC000267747806 386581845 /nfs/dbraw/zinc/58/18/45/386581845.db2.gz HDGKYZIRPOSBHE-UHFFFAOYSA-N 1 2 230.311 2.924 20 0 BFADLO CSC1(CNc2ccc(C)[nH+]c2)CC1 ZINC000289964581 386583604 /nfs/dbraw/zinc/58/36/04/386583604.db2.gz BIVGZBQUVIPWDJ-UHFFFAOYSA-N 1 2 208.330 2.698 20 0 BFADLO Cc1[nH]c(C(=O)NCC(C)(C)CC(C)C)c[nH+]1 ZINC000267848060 386589647 /nfs/dbraw/zinc/58/96/47/386589647.db2.gz MXGXEWLWULUXHO-UHFFFAOYSA-N 1 2 237.347 2.520 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)n(C)n1 ZINC000417716417 386591569 /nfs/dbraw/zinc/59/15/69/386591569.db2.gz UBXSPCWBIQHIMI-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)n(C)n1 ZINC000417716417 386591573 /nfs/dbraw/zinc/59/15/73/386591573.db2.gz UBXSPCWBIQHIMI-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C)C[C@H]2C)o1 ZINC000353611671 386531311 /nfs/dbraw/zinc/53/13/11/386531311.db2.gz ZQXVQYCGQCFGBF-BZPMIXESSA-N 1 2 248.370 2.539 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C)C[C@H]2C)o1 ZINC000353611671 386531316 /nfs/dbraw/zinc/53/13/16/386531316.db2.gz ZQXVQYCGQCFGBF-BZPMIXESSA-N 1 2 248.370 2.539 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C)C[C@H]2C)o1 ZINC000353611675 386532129 /nfs/dbraw/zinc/53/21/29/386532129.db2.gz ZQXVQYCGQCFGBF-YRGRVCCFSA-N 1 2 248.370 2.539 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C)C[C@H]2C)o1 ZINC000353611675 386532134 /nfs/dbraw/zinc/53/21/34/386532134.db2.gz ZQXVQYCGQCFGBF-YRGRVCCFSA-N 1 2 248.370 2.539 20 0 BFADLO CC(C)(NC(=O)C[C@@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000519712895 386542381 /nfs/dbraw/zinc/54/23/81/386542381.db2.gz VGNBLEMZXACZTF-LLVKDONJSA-N 1 2 247.342 2.507 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccon2)s1 ZINC000336780427 386548966 /nfs/dbraw/zinc/54/89/66/386548966.db2.gz RHIGVDZZSXKUSW-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO CCn1c[nH+]cc1CN1CCCc2ccccc21 ZINC000417692037 386557579 /nfs/dbraw/zinc/55/75/79/386557579.db2.gz LAEYKOAIUOEZMY-UHFFFAOYSA-N 1 2 241.338 2.856 20 0 BFADLO c1ccc(NC[C@H]2CCCSC2)[nH+]c1 ZINC000288545763 386566934 /nfs/dbraw/zinc/56/69/34/386566934.db2.gz PCOPMGPQCDAPLB-SNVBAGLBSA-N 1 2 208.330 2.637 20 0 BFADLO c1ccc(NCC2CCSCC2)[nH+]c1 ZINC000123517175 386568231 /nfs/dbraw/zinc/56/82/31/386568231.db2.gz YGBFFBKXWUPGOX-UHFFFAOYSA-N 1 2 208.330 2.637 20 0 BFADLO Fc1cc(F)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000335407769 386569789 /nfs/dbraw/zinc/56/97/89/386569789.db2.gz TYFQYAQZPFQEEL-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO Fc1cc(F)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000335407769 386569792 /nfs/dbraw/zinc/56/97/92/386569792.db2.gz TYFQYAQZPFQEEL-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO Cc1nsc(C)c1C[N@H+](C)Cc1ccco1 ZINC000519862135 386571667 /nfs/dbraw/zinc/57/16/67/386571667.db2.gz FMUUOAYSYAVBAH-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nsc(C)c1C[N@@H+](C)Cc1ccco1 ZINC000519862135 386571672 /nfs/dbraw/zinc/57/16/72/386571672.db2.gz FMUUOAYSYAVBAH-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO O=C(CCc1[nH]cc[nH+]1)NC1CCCCCCC1 ZINC000279178383 386641944 /nfs/dbraw/zinc/64/19/44/386641944.db2.gz JYERHEKMRKVKIE-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO CCC1(C)CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000292296273 386648120 /nfs/dbraw/zinc/64/81/20/386648120.db2.gz KVHVMSWCTQEDPV-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(CC(C)C)no2)c1 ZINC000291928812 386602141 /nfs/dbraw/zinc/60/21/41/386602141.db2.gz OPPBONVWARKWRZ-UHFFFAOYSA-N 1 2 245.326 2.757 20 0 BFADLO Cc1ccc([N@H+](C)CC[C@@H]2CCOC2=O)cc1C ZINC000268015845 386611593 /nfs/dbraw/zinc/61/15/93/386611593.db2.gz VTQBARLGYBGUDG-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc([N@@H+](C)CC[C@@H]2CCOC2=O)cc1C ZINC000268015845 386611597 /nfs/dbraw/zinc/61/15/97/386611597.db2.gz VTQBARLGYBGUDG-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2occc2C)s1 ZINC000292076429 386617120 /nfs/dbraw/zinc/61/71/20/386617120.db2.gz CYDUMEVORWYCDW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2occc2C)s1 ZINC000292076429 386617127 /nfs/dbraw/zinc/61/71/27/386617127.db2.gz CYDUMEVORWYCDW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)C[C@H](C)C1 ZINC000520464127 386682904 /nfs/dbraw/zinc/68/29/04/386682904.db2.gz YMHVBSKYYAGYBM-AOOOYVTPSA-N 1 2 219.332 2.576 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccncc2)n1C ZINC000585120488 386670383 /nfs/dbraw/zinc/67/03/83/386670383.db2.gz QCDDHEALGJBBDD-UHFFFAOYSA-N 1 2 201.273 2.606 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000335527904 386672476 /nfs/dbraw/zinc/67/24/76/386672476.db2.gz LWDAUUISFVRCSI-VXNVDRBHSA-N 1 2 240.253 2.538 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000050499402 386672995 /nfs/dbraw/zinc/67/29/95/386672995.db2.gz PALKZHFWSIRXLN-DGCLKSJQSA-N 1 2 235.327 2.535 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2cncs2)C1 ZINC000648058990 386674611 /nfs/dbraw/zinc/67/46/11/386674611.db2.gz OLHVFPOHZDGTJY-UHFFFAOYSA-N 1 2 232.299 2.620 20 0 BFADLO CC[C@@H]1CC[C@H](C(=O)Nc2c(C)cc[nH+]c2C)O1 ZINC000335529668 386677161 /nfs/dbraw/zinc/67/71/61/386677161.db2.gz RPBWMIBWEOJLPQ-VXGBXAGGSA-N 1 2 248.326 2.595 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC1CCCCC1 ZINC000120769917 386677200 /nfs/dbraw/zinc/67/72/00/386677200.db2.gz QSBCRJJCLMKWBF-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO Cc1nc(C[NH+]2CC(C)(CC(F)F)C2)cs1 ZINC000648058485 386677237 /nfs/dbraw/zinc/67/72/37/386677237.db2.gz MROYYIFMQUSBEV-UHFFFAOYSA-N 1 2 246.326 2.929 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cn[nH]n2)CC12CCCCC2 ZINC000450763704 386683106 /nfs/dbraw/zinc/68/31/06/386683106.db2.gz BTHCDROSEQWZDU-LBPRGKRZSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cn[nH]n2)CC12CCCCC2 ZINC000450763704 386683110 /nfs/dbraw/zinc/68/31/10/386683110.db2.gz BTHCDROSEQWZDU-LBPRGKRZSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@@H](C1CCC1)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000357030908 386695243 /nfs/dbraw/zinc/69/52/43/386695243.db2.gz YFSJRQRVFKFVMT-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H](C1CCC1)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000357030908 386695250 /nfs/dbraw/zinc/69/52/50/386695250.db2.gz YFSJRQRVFKFVMT-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO CCc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000268835410 386702397 /nfs/dbraw/zinc/70/23/97/386702397.db2.gz LOXPJVXDWAJYES-CYBMUJFWSA-N 1 2 245.326 2.732 20 0 BFADLO CCc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000268835410 386702411 /nfs/dbraw/zinc/70/24/11/386702411.db2.gz LOXPJVXDWAJYES-CYBMUJFWSA-N 1 2 245.326 2.732 20 0 BFADLO CCC[C@H]([NH2+]CC(F)(F)CO)c1ccsc1 ZINC000187923197 386735450 /nfs/dbraw/zinc/73/54/50/386735450.db2.gz MGQXNENGJOTQPE-JTQLQIEISA-N 1 2 249.326 2.807 20 0 BFADLO Cc1ccc2[nH+]c(CNc3cccnc3)cn2c1 ZINC000340690078 386714992 /nfs/dbraw/zinc/71/49/92/386714992.db2.gz UKFLIFDBAYGOOE-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C[N@H+](Cc1ccc(Cl)o1)Cc1cccnc1 ZINC000357228941 386740884 /nfs/dbraw/zinc/74/08/84/386740884.db2.gz HAZUPQJBUZMIRX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)o1)Cc1cccnc1 ZINC000357228941 386740887 /nfs/dbraw/zinc/74/08/87/386740887.db2.gz HAZUPQJBUZMIRX-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357116095 386721493 /nfs/dbraw/zinc/72/14/93/386721493.db2.gz HLCCBBCEJLVNKQ-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cocn1 ZINC000191942161 386724591 /nfs/dbraw/zinc/72/45/91/386724591.db2.gz YRQCVAHSCOYRSZ-SNVBAGLBSA-N 1 2 232.283 2.573 20 0 BFADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cocn1 ZINC000191942161 386724597 /nfs/dbraw/zinc/72/45/97/386724597.db2.gz YRQCVAHSCOYRSZ-SNVBAGLBSA-N 1 2 232.283 2.573 20 0 BFADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cocn2)C1 ZINC000191977043 386726191 /nfs/dbraw/zinc/72/61/91/386726191.db2.gz MEDIWJPTNZRLKQ-RISCZKNCSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cocn2)C1 ZINC000191977043 386726198 /nfs/dbraw/zinc/72/61/98/386726198.db2.gz MEDIWJPTNZRLKQ-RISCZKNCSA-N 1 2 243.310 2.653 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000292945854 386755079 /nfs/dbraw/zinc/75/50/79/386755079.db2.gz DPPNUAPNKUOFMF-NSHDSACASA-N 1 2 240.347 2.954 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1 ZINC000292945854 386755083 /nfs/dbraw/zinc/75/50/83/386755083.db2.gz DPPNUAPNKUOFMF-NSHDSACASA-N 1 2 240.347 2.954 20 0 BFADLO Cc1c[nH+]cc(NC2CCSCC2)c1 ZINC000125090273 386756268 /nfs/dbraw/zinc/75/62/68/386756268.db2.gz QCDHBHWUCZYJAH-UHFFFAOYSA-N 1 2 208.330 2.698 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)[C@H]1C ZINC000293003299 386765617 /nfs/dbraw/zinc/76/56/17/386765617.db2.gz NFUULZHUAULOMQ-BDAKNGLRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)[C@H]1C ZINC000293003299 386765621 /nfs/dbraw/zinc/76/56/21/386765621.db2.gz NFUULZHUAULOMQ-BDAKNGLRSA-N 1 2 249.339 2.638 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000293020812 386765710 /nfs/dbraw/zinc/76/57/10/386765710.db2.gz KMSQOCXUOGOZHP-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000293020812 386765713 /nfs/dbraw/zinc/76/57/13/386765713.db2.gz KMSQOCXUOGOZHP-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO Cn1c[nH+]cc1CSc1ccccc1F ZINC000334639608 386781940 /nfs/dbraw/zinc/78/19/40/386781940.db2.gz VSTDCPBQMRHJDP-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C)c1[nH]cc[nH+]1 ZINC000330608734 386787415 /nfs/dbraw/zinc/78/74/15/386787415.db2.gz QTCRJBZPOYZHQD-UTUOFQBUSA-N 1 2 247.342 2.579 20 0 BFADLO CCCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293290311 386797836 /nfs/dbraw/zinc/79/78/36/386797836.db2.gz VYGGJKBGYIXCNK-UHFFFAOYSA-N 1 2 241.338 2.988 20 0 BFADLO CCCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293290311 386797840 /nfs/dbraw/zinc/79/78/40/386797840.db2.gz VYGGJKBGYIXCNK-UHFFFAOYSA-N 1 2 241.338 2.988 20 0 BFADLO c1cc2ccc(CNc3cccc[nH+]3)nc2[nH]1 ZINC000357555209 386805227 /nfs/dbraw/zinc/80/52/27/386805227.db2.gz CRNUUZAIWMQQAQ-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO Cc1cc(N[C@H]2CC[C@@H](F)C2)nc(C(C)C)[nH+]1 ZINC000340960993 386807260 /nfs/dbraw/zinc/80/72/60/386807260.db2.gz LPARDUJYUMQBIU-MNOVXSKESA-N 1 2 237.322 2.633 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@H](F)C2)nc(C(C)C)[nH+]1 ZINC000340961020 386809001 /nfs/dbraw/zinc/80/90/01/386809001.db2.gz LPARDUJYUMQBIU-WDEREUQCSA-N 1 2 237.322 2.633 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cnc[nH]1 ZINC000280372979 386808883 /nfs/dbraw/zinc/80/88/83/386808883.db2.gz DWLIRTOQDGCXNN-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000280372979 386808888 /nfs/dbraw/zinc/80/88/88/386808888.db2.gz DWLIRTOQDGCXNN-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1c[nH]cn1 ZINC000280372979 386808894 /nfs/dbraw/zinc/80/88/94/386808894.db2.gz DWLIRTOQDGCXNN-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000280372979 386808896 /nfs/dbraw/zinc/80/88/96/386808896.db2.gz DWLIRTOQDGCXNN-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO CO[C@@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301224678 386824451 /nfs/dbraw/zinc/82/44/51/386824451.db2.gz CUPJXNHILJUQTI-ZDUSSCGKSA-N 1 2 243.310 2.585 20 0 BFADLO CC[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@H](C)O ZINC000395408581 386828124 /nfs/dbraw/zinc/82/81/24/386828124.db2.gz FRORSVUCIVJYMF-IONNQARKSA-N 1 2 248.248 2.672 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000293572714 386840273 /nfs/dbraw/zinc/84/02/73/386840273.db2.gz NBSUMDFOENYJEF-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1F ZINC000293572714 386840277 /nfs/dbraw/zinc/84/02/77/386840277.db2.gz NBSUMDFOENYJEF-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1nc(N2CCCCCC2)c(C)c(C)[nH+]1 ZINC000301456485 386845703 /nfs/dbraw/zinc/84/57/03/386845703.db2.gz WPBLAVKQPWPSHG-UHFFFAOYSA-N 1 2 219.332 2.782 20 0 BFADLO CN(CC1CC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301439794 386845985 /nfs/dbraw/zinc/84/59/85/386845985.db2.gz LYMMVYMPPOFCFH-UHFFFAOYSA-N 1 2 230.233 2.947 20 0 BFADLO CC[C@@H](COC)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301601635 386858108 /nfs/dbraw/zinc/85/81/08/386858108.db2.gz VOJCOGXOIVAPNF-JTQLQIEISA-N 1 2 237.347 2.611 20 0 BFADLO CO[C@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293675771 386858046 /nfs/dbraw/zinc/85/80/46/386858046.db2.gz KATZSGOHKZPLJH-OLZOCXBDSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1nocc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000293694205 386864040 /nfs/dbraw/zinc/86/40/40/386864040.db2.gz WNPHTSZLECEPAS-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1cn[nH]c1C ZINC000349544486 386865392 /nfs/dbraw/zinc/86/53/92/386865392.db2.gz MNOVDMBAFQZMKX-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1cn[nH]c1C ZINC000349544486 386865398 /nfs/dbraw/zinc/86/53/98/386865398.db2.gz MNOVDMBAFQZMKX-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CCC1(CC)[C@@H](Nc2cc(C)[nH+]cn2)C[C@@H]1OC ZINC000301699601 386870766 /nfs/dbraw/zinc/87/07/66/386870766.db2.gz FBWJGVLOCHKQEQ-RYUDHWBXSA-N 1 2 249.358 2.791 20 0 BFADLO CCC1(CC)[C@H](Nc2cc(C)[nH+]cn2)C[C@H]1OC ZINC000301699602 386871133 /nfs/dbraw/zinc/87/11/33/386871133.db2.gz FBWJGVLOCHKQEQ-VXGBXAGGSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000336739149 386871631 /nfs/dbraw/zinc/87/16/31/386871631.db2.gz SCVJNEBURKTGCK-UHFFFAOYSA-N 1 2 211.255 2.882 20 0 BFADLO Nc1nc(NCCC2CCC2)[nH+]c2ccccc12 ZINC000301923173 386890770 /nfs/dbraw/zinc/89/07/70/386890770.db2.gz YAHLTMCFPIQMPH-UHFFFAOYSA-N 1 2 242.326 2.814 20 0 BFADLO Cc1nsc(Nc2ccc([NH+](C)C)c(C)c2)n1 ZINC000301932710 386891108 /nfs/dbraw/zinc/89/11/08/386891108.db2.gz PNYSMMQVXWESAM-UHFFFAOYSA-N 1 2 248.355 2.965 20 0 BFADLO Clc1ccc(CNc2cccc[nH+]2)nc1 ZINC000302004283 386897355 /nfs/dbraw/zinc/89/73/55/386897355.db2.gz KDWCWGCYUIWOKJ-UHFFFAOYSA-N 1 2 219.675 2.742 20 0 BFADLO CN(CC1(O)CCCCCC1)c1cccc[nH+]1 ZINC000302437628 386921236 /nfs/dbraw/zinc/92/12/36/386921236.db2.gz PWTYNNJWGZHSQS-UHFFFAOYSA-N 1 2 234.343 2.603 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000302617319 386927466 /nfs/dbraw/zinc/92/74/66/386927466.db2.gz DGULAUVXIJOJCX-QWRGUYRKSA-N 1 2 237.347 2.744 20 0 BFADLO CN(CC[C@H]1CCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000302719412 386933545 /nfs/dbraw/zinc/93/35/45/386933545.db2.gz OJWIZWUOHZCDJY-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO C[N@H+](CC(F)F)C1CC(OC(C)(C)C)C1 ZINC000341614986 386936336 /nfs/dbraw/zinc/93/63/36/386936336.db2.gz AKIKPRNQRRUBDP-UHFFFAOYSA-N 1 2 221.291 2.529 20 0 BFADLO C[N@@H+](CC(F)F)C1CC(OC(C)(C)C)C1 ZINC000341614986 386936339 /nfs/dbraw/zinc/93/63/39/386936339.db2.gz AKIKPRNQRRUBDP-UHFFFAOYSA-N 1 2 221.291 2.529 20 0 BFADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CC1(C)C ZINC000302862759 386941574 /nfs/dbraw/zinc/94/15/74/386941574.db2.gz RKNVKIMBXYCPLF-JTQLQIEISA-N 1 2 217.316 2.589 20 0 BFADLO CC(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456443177 386961679 /nfs/dbraw/zinc/96/16/79/386961679.db2.gz ZZVGXCIDDJLGIQ-TUAOUCFPSA-N 1 2 249.358 2.687 20 0 BFADLO CCCCCC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341688971 386949913 /nfs/dbraw/zinc/94/99/13/386949913.db2.gz KXVALUSAFHZLBU-CYBMUJFWSA-N 1 2 249.358 2.568 20 0 BFADLO C[C@@]1(O)C[C@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000334953049 387030295 /nfs/dbraw/zinc/03/02/95/387030295.db2.gz COTKTBIUPQGXTP-VDISTLRHSA-N 1 2 246.285 2.699 20 0 BFADLO CCC(CC)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110601763 387066331 /nfs/dbraw/zinc/06/63/31/387066331.db2.gz KEZXPAMJLCOZBT-LBPRGKRZSA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425380221 387031884 /nfs/dbraw/zinc/03/18/84/387031884.db2.gz CXXZSAZVNWETFV-MRVPVSSYSA-N 1 2 245.273 2.629 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425380221 387031888 /nfs/dbraw/zinc/03/18/88/387031888.db2.gz CXXZSAZVNWETFV-MRVPVSSYSA-N 1 2 245.273 2.629 20 0 BFADLO FC(F)C1([NH2+]Cc2cncnc2)CCCCC1 ZINC000353051000 387033105 /nfs/dbraw/zinc/03/31/05/387033105.db2.gz GNLDRRFPSSGKJU-UHFFFAOYSA-N 1 2 241.285 2.534 20 0 BFADLO Fc1ccc(C[N@H+]2CC[C@H](F)C2)cc1F ZINC000336222855 387062458 /nfs/dbraw/zinc/06/24/58/387062458.db2.gz PILXHVPZQOLKQD-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1F ZINC000336222855 387062461 /nfs/dbraw/zinc/06/24/61/387062461.db2.gz PILXHVPZQOLKQD-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO Fc1cccc(C[N@H+]2CC[C@H](F)C2)c1F ZINC000336223267 387064540 /nfs/dbraw/zinc/06/45/40/387064540.db2.gz PNFGCLITDITXLV-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO Fc1cccc(C[N@@H+]2CC[C@H](F)C2)c1F ZINC000336223267 387064542 /nfs/dbraw/zinc/06/45/42/387064542.db2.gz PNFGCLITDITXLV-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO CC[C@@H](NC(=O)CC(C)(C)CC)c1[nH]cc[nH+]1 ZINC000331297958 387009747 /nfs/dbraw/zinc/00/97/47/387009747.db2.gz ZQDCNKRHCWYVFO-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO Cc1ccc(CS[C@H](C)[C@H](C)O)c(C)[nH+]1 ZINC000358788042 387013531 /nfs/dbraw/zinc/01/35/31/387013531.db2.gz UZSUYTKANGZBTD-WDEREUQCSA-N 1 2 225.357 2.701 20 0 BFADLO C[C@H](Nc1ccc(F)c(F)c1)c1[nH+]ccn1C ZINC000070443400 387065784 /nfs/dbraw/zinc/06/57/84/387065784.db2.gz LJYSYYBBWQEVBR-QMMMGPOBSA-N 1 2 237.253 2.871 20 0 BFADLO Cc1nc(C[NH+]2CCC(C3CCCC3)CC2)no1 ZINC000369808641 387069002 /nfs/dbraw/zinc/06/90/02/387069002.db2.gz MCJVWMZQGAPVOI-UHFFFAOYSA-N 1 2 249.358 2.780 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCC[C@H](C)C2)nn1C ZINC000334986667 387073640 /nfs/dbraw/zinc/07/36/40/387073640.db2.gz SMCYWMNWNVAVOR-VIFPVBQESA-N 1 2 241.766 2.614 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C)C2)nn1C ZINC000334986667 387073642 /nfs/dbraw/zinc/07/36/42/387073642.db2.gz SMCYWMNWNVAVOR-VIFPVBQESA-N 1 2 241.766 2.614 20 0 BFADLO Cc1nc(NCc2cc(C)[nH+]c(C)c2)sc1C ZINC000334986970 387074924 /nfs/dbraw/zinc/07/49/24/387074924.db2.gz LBFAEEIPBIPFIH-UHFFFAOYSA-N 1 2 247.367 2.806 20 0 BFADLO Fc1cccc(CC[N@H+]2CC[C@@H](F)C2)c1F ZINC000336262829 387097778 /nfs/dbraw/zinc/09/77/78/387097778.db2.gz DGCOVMVEZGGZBD-SNVBAGLBSA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cccc(CC[N@@H+]2CC[C@@H](F)C2)c1F ZINC000336262829 387097782 /nfs/dbraw/zinc/09/77/82/387097782.db2.gz DGCOVMVEZGGZBD-SNVBAGLBSA-N 1 2 229.245 2.551 20 0 BFADLO Cc1ccnc(Nc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000071214916 387098454 /nfs/dbraw/zinc/09/84/54/387098454.db2.gz PDJLSWDDFRROMO-UHFFFAOYSA-N 1 2 240.310 2.887 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336266962 387102525 /nfs/dbraw/zinc/10/25/25/387102525.db2.gz RIFNYGQUSGZURH-DGCLKSJQSA-N 1 2 237.322 2.670 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)cn1 ZINC000336266962 387102533 /nfs/dbraw/zinc/10/25/33/387102533.db2.gz RIFNYGQUSGZURH-DGCLKSJQSA-N 1 2 237.322 2.670 20 0 BFADLO CC[C@@H](C)[C@](C)(O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334016 387103439 /nfs/dbraw/zinc/10/34/39/387103439.db2.gz CGBGEWYITWQNHJ-QMTHXVAHSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336270091 387104310 /nfs/dbraw/zinc/10/43/10/387104310.db2.gz JQCTWWXLIAHQQQ-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336270091 387104316 /nfs/dbraw/zinc/10/43/16/387104316.db2.gz JQCTWWXLIAHQQQ-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000068827879 387108995 /nfs/dbraw/zinc/10/89/95/387108995.db2.gz NJDDVFGOEKNKCI-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000068827879 387109001 /nfs/dbraw/zinc/10/90/01/387109001.db2.gz NJDDVFGOEKNKCI-JTQLQIEISA-N 1 2 235.331 2.569 20 0 BFADLO Cc1cn2cc(NC(=O)C[C@H]3C[C@H]3C)ccc2[nH+]1 ZINC000334947827 387110723 /nfs/dbraw/zinc/11/07/23/387110723.db2.gz QDQJBWYFSBWGRD-MWLCHTKSSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1ccc(CSC[C@@H](C)CO)c(C)[nH+]1 ZINC000186622701 387116600 /nfs/dbraw/zinc/11/66/00/387116600.db2.gz BIFQHTIFFBWUNA-VIFPVBQESA-N 1 2 225.357 2.560 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc2ccccc2n1 ZINC000071274434 387121465 /nfs/dbraw/zinc/12/14/65/387121465.db2.gz WBTJIVBJSMNYAY-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO C(C1CC1)[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000370565229 387127737 /nfs/dbraw/zinc/12/77/37/387127737.db2.gz HVQFIFWZAKSPCJ-LBPRGKRZSA-N 1 2 247.342 2.884 20 0 BFADLO C(C1CC1)[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000370565229 387127741 /nfs/dbraw/zinc/12/77/41/387127741.db2.gz HVQFIFWZAKSPCJ-LBPRGKRZSA-N 1 2 247.342 2.884 20 0 BFADLO c1coc([C@@H]2COCC[N@H+]2Cc2cccs2)c1 ZINC000369775709 387068622 /nfs/dbraw/zinc/06/86/22/387068622.db2.gz YOIXCCGPXMGYEX-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc([C@@H]2COCC[N@@H+]2Cc2cccs2)c1 ZINC000369775709 387068624 /nfs/dbraw/zinc/06/86/24/387068624.db2.gz YOIXCCGPXMGYEX-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO Cc1c[nH+]cc(NCc2cccc(O)c2)c1 ZINC000119572200 387141584 /nfs/dbraw/zinc/14/15/84/387141584.db2.gz ZZTXHSSLRUDWSI-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO CCCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370746140 387141640 /nfs/dbraw/zinc/14/16/40/387141640.db2.gz YRKNLTPFPLWXFF-NSHDSACASA-N 1 2 237.347 2.959 20 0 BFADLO CCCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370746140 387141643 /nfs/dbraw/zinc/14/16/43/387141643.db2.gz YRKNLTPFPLWXFF-NSHDSACASA-N 1 2 237.347 2.959 20 0 BFADLO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169879 387148523 /nfs/dbraw/zinc/14/85/23/387148523.db2.gz JTMJOPDIKFSMQY-SECBINFHSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)(C)OCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353169879 387148528 /nfs/dbraw/zinc/14/85/28/387148528.db2.gz JTMJOPDIKFSMQY-SECBINFHSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)Cc1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000187004047 387150698 /nfs/dbraw/zinc/15/06/98/387150698.db2.gz YPNOFCDPWNGOOF-UHFFFAOYSA-N 1 2 249.358 2.644 20 0 BFADLO CC(C)Cc1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000187004047 387150704 /nfs/dbraw/zinc/15/07/04/387150704.db2.gz YPNOFCDPWNGOOF-UHFFFAOYSA-N 1 2 249.358 2.644 20 0 BFADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCCO1 ZINC000336330391 387157558 /nfs/dbraw/zinc/15/75/58/387157558.db2.gz WHQPYNJRTXNKKX-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186994687 387159837 /nfs/dbraw/zinc/15/98/37/387159837.db2.gz MZUOMLRVTVEPMX-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCCc1nc(C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186994687 387159843 /nfs/dbraw/zinc/15/98/43/387159843.db2.gz MZUOMLRVTVEPMX-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO FC(F)C1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000359849216 387175818 /nfs/dbraw/zinc/17/58/18/387175818.db2.gz SSMYDJDEOOVJSV-UHFFFAOYSA-N 1 2 249.264 2.509 20 0 BFADLO Cc1cc(N(C)CCC2CC2)nc(C2CC2)[nH+]1 ZINC000120270315 387184305 /nfs/dbraw/zinc/18/43/05/387184305.db2.gz YCSUVGYMXZDPQU-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO CCCCC[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000120401899 387186467 /nfs/dbraw/zinc/18/64/67/387186467.db2.gz LVQIPMLOVHUHJV-CQSZACIVSA-N 1 2 249.354 2.989 20 0 BFADLO CCC(CC)[NH2+][C@@H](C(=O)OC)c1ccccc1C ZINC000120411518 387189695 /nfs/dbraw/zinc/18/96/95/387189695.db2.gz GGAWIWXFNPNOHB-CQSZACIVSA-N 1 2 249.354 2.987 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(C)cc2OC)C1 ZINC000459622305 387138932 /nfs/dbraw/zinc/13/89/32/387138932.db2.gz OPVVSUQCHSNYCV-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1cc(NCC[C@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000230103657 387252896 /nfs/dbraw/zinc/25/28/96/387252896.db2.gz AWZBIXUCGVGZFZ-LBPRGKRZSA-N 1 2 249.358 2.747 20 0 BFADLO C[N@H+](C/C=C\c1ccccc1)Cc1cc[nH]n1 ZINC000353566212 387230357 /nfs/dbraw/zinc/23/03/57/387230357.db2.gz FDUZHVOWEMSGDA-YVMONPNESA-N 1 2 227.311 2.555 20 0 BFADLO C[N@@H+](C/C=C\c1ccccc1)Cc1cc[nH]n1 ZINC000353566212 387230362 /nfs/dbraw/zinc/23/03/62/387230362.db2.gz FDUZHVOWEMSGDA-YVMONPNESA-N 1 2 227.311 2.555 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)cn2)s1 ZINC000648552348 387234970 /nfs/dbraw/zinc/23/49/70/387234970.db2.gz ZHVLNIFXLRUCBH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)cn2)s1 ZINC000648552348 387234973 /nfs/dbraw/zinc/23/49/73/387234973.db2.gz ZHVLNIFXLRUCBH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CO[C@H](C)[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000353608660 387241008 /nfs/dbraw/zinc/24/10/08/387241008.db2.gz JAIOUSJGRQUHGL-WDEREUQCSA-N 1 2 243.297 2.791 20 0 BFADLO CSCC[N@H+](C)Cc1csc(C2CC2)n1 ZINC000120414251 387245143 /nfs/dbraw/zinc/24/51/43/387245143.db2.gz XZONPIOOHKXCCM-UHFFFAOYSA-N 1 2 242.413 2.815 20 0 BFADLO CSCC[N@@H+](C)Cc1csc(C2CC2)n1 ZINC000120414251 387245147 /nfs/dbraw/zinc/24/51/47/387245147.db2.gz XZONPIOOHKXCCM-UHFFFAOYSA-N 1 2 242.413 2.815 20 0 BFADLO CCc1ccc(CN(C)c2cc[nH+]c(C)n2)cc1 ZINC000360255073 387251968 /nfs/dbraw/zinc/25/19/68/387251968.db2.gz YSERCWLJWIDHFX-UHFFFAOYSA-N 1 2 241.338 2.984 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC000648642248 387268593 /nfs/dbraw/zinc/26/85/93/387268593.db2.gz CEJBDWBQITVWCK-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC000648642248 387268597 /nfs/dbraw/zinc/26/85/97/387268597.db2.gz CEJBDWBQITVWCK-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccon1 ZINC000572231726 387283476 /nfs/dbraw/zinc/28/34/76/387283476.db2.gz FUUSXXAURDFTFM-CABZTGNLSA-N 1 2 232.283 2.996 20 0 BFADLO C[C@@H]([NH2+]C/C=C/Cl)c1c(F)cncc1F ZINC000285841244 387287424 /nfs/dbraw/zinc/28/74/24/387287424.db2.gz WMDDTRRSRLJGII-TYWZFMJISA-N 1 2 232.661 2.763 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccccc1 ZINC000302641410 387289246 /nfs/dbraw/zinc/28/92/46/387289246.db2.gz SZRFXTXGZYIUAP-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000353971608 387304283 /nfs/dbraw/zinc/30/42/83/387304283.db2.gz LEJPKTVJZINWTE-HNNXBMFYSA-N 1 2 241.338 2.535 20 0 BFADLO CCOC[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000360832972 387356752 /nfs/dbraw/zinc/35/67/52/387356752.db2.gz GHNQRDFBPPZHET-NSHDSACASA-N 1 2 234.343 2.797 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000354322138 387359630 /nfs/dbraw/zinc/35/96/30/387359630.db2.gz MUXWARGKOCAMMM-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@@H](CCO)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354343068 387364567 /nfs/dbraw/zinc/36/45/67/387364567.db2.gz INTLLHMYLYQKRG-JTQLQIEISA-N 1 2 248.301 2.804 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc2cccnc2o1 ZINC000648594467 387367024 /nfs/dbraw/zinc/36/70/24/387367024.db2.gz UMQFWRSJQBWMHZ-UHFFFAOYSA-N 1 2 226.226 2.573 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336552851 387374271 /nfs/dbraw/zinc/37/42/71/387374271.db2.gz FHNXXJMJWDPXRB-CQSZACIVSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336552851 387374273 /nfs/dbraw/zinc/37/42/73/387374273.db2.gz FHNXXJMJWDPXRB-CQSZACIVSA-N 1 2 239.322 2.732 20 0 BFADLO C[C@@H](CCCCO)[NH2+]c1ccc2c(c1)CCN2 ZINC000643503313 387382038 /nfs/dbraw/zinc/38/20/38/387382038.db2.gz FBERIZOGCAGSOO-NSHDSACASA-N 1 2 234.343 2.618 20 0 BFADLO C[C@@H](CCCCO)Nc1ccc2c(c1)CC[NH2+]2 ZINC000643503313 387382041 /nfs/dbraw/zinc/38/20/41/387382041.db2.gz FBERIZOGCAGSOO-NSHDSACASA-N 1 2 234.343 2.618 20 0 BFADLO Cc1ccnc([C@@H](C)[NH2+]Cc2nccs2)c1 ZINC000286274900 387322740 /nfs/dbraw/zinc/32/27/40/387322740.db2.gz VMCPVUBEMKOXLE-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000515206651 387349286 /nfs/dbraw/zinc/34/92/86/387349286.db2.gz JHBDTVVDQSBXJJ-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000515206651 387349291 /nfs/dbraw/zinc/34/92/91/387349291.db2.gz JHBDTVVDQSBXJJ-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO CC[C@@H](C)CCC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000354762725 387426803 /nfs/dbraw/zinc/42/68/03/387426803.db2.gz BLPFTXDAKWBRFG-GHMZBOCLSA-N 1 2 237.347 2.803 20 0 BFADLO C[C@H]1CCC[C@@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515856139 387430343 /nfs/dbraw/zinc/43/03/43/387430343.db2.gz OVVNXMPKPLSKGQ-WDEREUQCSA-N 1 2 249.358 2.587 20 0 BFADLO Fc1ccc2cc[nH+]c(N[C@@H]3CCOC3)c2c1 ZINC000354873437 387439953 /nfs/dbraw/zinc/43/99/53/387439953.db2.gz DNRLIXQRAGVEJG-LLVKDONJSA-N 1 2 232.258 2.575 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)o1 ZINC000336606382 387449592 /nfs/dbraw/zinc/44/95/92/387449592.db2.gz BIMGMYJLYKFQFD-ZDUSSCGKSA-N 1 2 247.269 2.950 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000354545400 387393804 /nfs/dbraw/zinc/39/38/04/387393804.db2.gz NWPJYADZENAWCN-VXGBXAGGSA-N 1 2 235.327 2.516 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000354545397 387394629 /nfs/dbraw/zinc/39/46/29/387394629.db2.gz NWPJYADZENAWCN-NWDGAFQWSA-N 1 2 235.327 2.516 20 0 BFADLO Cc1cccc(CCSCc2ccnn2C)[nH+]1 ZINC000572404733 387402903 /nfs/dbraw/zinc/40/29/03/387402903.db2.gz VMGZAKIIXSSVNX-UHFFFAOYSA-N 1 2 247.367 2.599 20 0 BFADLO C[C@@H](Cc1ccccc1)C[NH+]1CC(F)C1 ZINC000361157762 387408417 /nfs/dbraw/zinc/40/84/17/387408417.db2.gz YFYMVTGRFWWPRN-NSHDSACASA-N 1 2 207.292 2.519 20 0 BFADLO C[C@@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000267961137 387412851 /nfs/dbraw/zinc/41/28/51/387412851.db2.gz LBKMCPWMUOMEAT-SECBINFHSA-N 1 2 213.284 2.840 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1nc2ccccc2[nH]1 ZINC000352652195 387413717 /nfs/dbraw/zinc/41/37/17/387413717.db2.gz MHTCICDSRYCCDH-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1nc2ccccc2[nH]1 ZINC000352652195 387413722 /nfs/dbraw/zinc/41/37/22/387413722.db2.gz MHTCICDSRYCCDH-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Clc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374106435 387422686 /nfs/dbraw/zinc/42/26/86/387422686.db2.gz LAYSIOPTTHZRAZ-BETUJISGSA-N 1 2 237.730 2.703 20 0 BFADLO Clc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374106435 387422691 /nfs/dbraw/zinc/42/26/91/387422691.db2.gz LAYSIOPTTHZRAZ-BETUJISGSA-N 1 2 237.730 2.703 20 0 BFADLO Cn1ccnc1C[N@H+](C)C/C=C\c1ccccc1 ZINC000355310741 387517793 /nfs/dbraw/zinc/51/77/93/387517793.db2.gz FWTVBSWISLQEAN-TWGQIWQCSA-N 1 2 241.338 2.565 20 0 BFADLO Cn1ccnc1C[N@@H+](C)C/C=C\c1ccccc1 ZINC000355310741 387517797 /nfs/dbraw/zinc/51/77/97/387517797.db2.gz FWTVBSWISLQEAN-TWGQIWQCSA-N 1 2 241.338 2.565 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000192694193 387521346 /nfs/dbraw/zinc/52/13/46/387521346.db2.gz NBMDUVMBYBHXGT-AWEZNQCLSA-N 1 2 249.354 2.927 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)CCCC1CC1 ZINC000643418919 387524205 /nfs/dbraw/zinc/52/42/05/387524205.db2.gz OISIUTKZJGFSDI-UHFFFAOYSA-N 1 2 247.342 2.666 20 0 BFADLO Cc1nc(C[NH2+]Cc2cnc(C)cc2C)cs1 ZINC000396981118 387526698 /nfs/dbraw/zinc/52/66/98/387526698.db2.gz NPIBYQXUGAHVRV-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO CC(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)s1 ZINC000355066185 387473027 /nfs/dbraw/zinc/47/30/27/387473027.db2.gz WNRDTOYGBYWCPN-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2c(C)cccc2C)no1 ZINC000355072438 387475501 /nfs/dbraw/zinc/47/55/01/387475501.db2.gz XOBIUTOHCLGXMW-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(N)nc(S[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000424081657 387482816 /nfs/dbraw/zinc/48/28/16/387482816.db2.gz AKYXGLVZLXMGIC-SECBINFHSA-N 1 2 237.372 2.868 20 0 BFADLO FC(F)C[N@@H+](CC1=CCCOC1)CC1CCC1 ZINC000355128965 387485524 /nfs/dbraw/zinc/48/55/24/387485524.db2.gz IDPCWZYXVCXLQU-UHFFFAOYSA-N 1 2 245.313 2.700 20 0 BFADLO FC(F)C[N@H+](CC1=CCCOC1)CC1CCC1 ZINC000355128965 387485528 /nfs/dbraw/zinc/48/55/28/387485528.db2.gz IDPCWZYXVCXLQU-UHFFFAOYSA-N 1 2 245.313 2.700 20 0 BFADLO CCc1cnc(C[N@H+](C)CC2(F)CC2)s1 ZINC000527511001 387589588 /nfs/dbraw/zinc/58/95/88/387589588.db2.gz HNEBOMBFEGQMSN-UHFFFAOYSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1cnc(C[N@@H+](C)CC2(F)CC2)s1 ZINC000527511001 387589591 /nfs/dbraw/zinc/58/95/91/387589591.db2.gz HNEBOMBFEGQMSN-UHFFFAOYSA-N 1 2 228.336 2.639 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ncc[nH]1)CO2 ZINC000375888483 387591029 /nfs/dbraw/zinc/59/10/29/387591029.db2.gz LQFHTLJNXJXUME-CMPLNLGQSA-N 1 2 243.310 2.502 20 0 BFADLO FC1(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)CC1 ZINC000527526074 387596047 /nfs/dbraw/zinc/59/60/47/387596047.db2.gz XARQLOSEVHBMNK-ZDUSSCGKSA-N 1 2 241.350 2.770 20 0 BFADLO FC1(C[N@H+]2CCO[C@H](C3CCCCC3)C2)CC1 ZINC000527526074 387596053 /nfs/dbraw/zinc/59/60/53/387596053.db2.gz XARQLOSEVHBMNK-ZDUSSCGKSA-N 1 2 241.350 2.770 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000355981099 387601687 /nfs/dbraw/zinc/60/16/87/387601687.db2.gz DACANIQMBMYLIX-OCCSQVGLSA-N 1 2 246.354 2.967 20 0 BFADLO FC(F)(F)c1ccccc1Cn1cc[nH+]c1 ZINC000122510042 387545274 /nfs/dbraw/zinc/54/52/74/387545274.db2.gz DEYCEHSJVPNGFH-UHFFFAOYSA-N 1 2 226.201 2.950 20 0 BFADLO Cc1c[nH+]cc(NCc2cccc3c2OCO3)c1 ZINC000119631101 387555670 /nfs/dbraw/zinc/55/56/70/387555670.db2.gz IEPTXUKRKCPQGD-UHFFFAOYSA-N 1 2 242.278 2.731 20 0 BFADLO COCC(C)(C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000426390103 387562296 /nfs/dbraw/zinc/56/22/96/387562296.db2.gz NMCYABWSVWFFIP-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO COCC(C)(C)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000426390103 387562298 /nfs/dbraw/zinc/56/22/98/387562298.db2.gz NMCYABWSVWFFIP-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)o1 ZINC000121200037 387575586 /nfs/dbraw/zinc/57/55/86/387575586.db2.gz MCVVLHAQPQKGTR-LBPRGKRZSA-N 1 2 245.326 2.691 20 0 BFADLO CC1(C)COc2ccc(-c3c[nH]c[nH+]3)cc21 ZINC000527589382 387635553 /nfs/dbraw/zinc/63/55/53/387635553.db2.gz GOIJVUJCIRHJKJ-UHFFFAOYSA-N 1 2 214.268 2.747 20 0 BFADLO c1csc(CNc2cc[nH+]c3ccncc23)c1 ZINC000362828169 387664157 /nfs/dbraw/zinc/66/41/57/387664157.db2.gz BYUMYVZQAWPOCK-UHFFFAOYSA-N 1 2 241.319 2.725 20 0 BFADLO CCOC(=O)C[N@H+](C[C@H](F)CC)C1CCCC1 ZINC000440763424 387685503 /nfs/dbraw/zinc/68/55/03/387685503.db2.gz JXCATNKXYVHGIM-LLVKDONJSA-N 1 2 245.338 2.542 20 0 BFADLO CCOC(=O)C[N@@H+](C[C@H](F)CC)C1CCCC1 ZINC000440763424 387685509 /nfs/dbraw/zinc/68/55/09/387685509.db2.gz JXCATNKXYVHGIM-LLVKDONJSA-N 1 2 245.338 2.542 20 0 BFADLO COc1ccc[nH+]c1N(C)Cc1cccs1 ZINC000527827038 387745205 /nfs/dbraw/zinc/74/52/05/387745205.db2.gz YNQDHMISUYCBJA-UHFFFAOYSA-N 1 2 234.324 2.788 20 0 BFADLO c1ccc(NC[C@H]2CCc3ccccc3N2)[nH+]c1 ZINC000377837232 387752561 /nfs/dbraw/zinc/75/25/61/387752561.db2.gz KLYWKSZGBZZWRN-CYBMUJFWSA-N 1 2 239.322 2.920 20 0 BFADLO c1ccc(NC[C@@H]2CCc3ccccc3N2)[nH+]c1 ZINC000377837233 387753367 /nfs/dbraw/zinc/75/33/67/387753367.db2.gz KLYWKSZGBZZWRN-ZDUSSCGKSA-N 1 2 239.322 2.920 20 0 BFADLO Cc1ccc(F)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000127012538 387703371 /nfs/dbraw/zinc/70/33/71/387703371.db2.gz XYISCRQHBDZZGC-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431424341 387708637 /nfs/dbraw/zinc/70/86/37/387708637.db2.gz WGIUHSQCAUVWGR-SECBINFHSA-N 1 2 233.290 2.559 20 0 BFADLO CC[C@@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431409991 387708659 /nfs/dbraw/zinc/70/86/59/387708659.db2.gz LGJOLQSDIQOHLL-SNVBAGLBSA-N 1 2 247.317 2.949 20 0 BFADLO Fc1ccccc1CCOc1cc[nH+]cc1 ZINC000431475410 387710902 /nfs/dbraw/zinc/71/09/02/387710902.db2.gz FKMSYVXCNQUQHQ-UHFFFAOYSA-N 1 2 217.243 2.842 20 0 BFADLO Fc1ccc(CCOc2cc[nH+]cc2)cc1F ZINC000431515175 387715833 /nfs/dbraw/zinc/71/58/33/387715833.db2.gz XOMBSSZSYMAIDD-UHFFFAOYSA-N 1 2 235.233 2.981 20 0 BFADLO CC[N@H+](CCC[C@@H](C)O)c1cccc(C)c1 ZINC000045619928 387717821 /nfs/dbraw/zinc/71/78/21/387717821.db2.gz NGFUBZOFLKWGOP-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@@H](C)O)c1cccc(C)c1 ZINC000045619928 387717828 /nfs/dbraw/zinc/71/78/28/387717828.db2.gz NGFUBZOFLKWGOP-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CC12CC2 ZINC000527908580 387763939 /nfs/dbraw/zinc/76/39/39/387763939.db2.gz FIOIOCSONBTJDB-GJMOJQLCSA-N 1 2 207.239 2.715 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cscc1Cl ZINC000646235537 387792429 /nfs/dbraw/zinc/79/24/29/387792429.db2.gz FAPDXJSBBSRGRW-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cscc1Cl ZINC000646235537 387792433 /nfs/dbraw/zinc/79/24/33/387792433.db2.gz FAPDXJSBBSRGRW-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334224 387805154 /nfs/dbraw/zinc/80/51/54/387805154.db2.gz MAVSZILWMYNMFD-WDEREUQCSA-N 1 2 249.358 2.840 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCC(F)(F)C1 ZINC000527993392 387805892 /nfs/dbraw/zinc/80/58/92/387805892.db2.gz CQARHQLPKOLOGV-SECBINFHSA-N 1 2 242.269 2.938 20 0 BFADLO COc1ccc[nH+]c1N1CCC(F)(F)[C@H](C)C1 ZINC000528022183 387826483 /nfs/dbraw/zinc/82/64/83/387826483.db2.gz HFEANVFKOGMZAV-SECBINFHSA-N 1 2 242.269 2.572 20 0 BFADLO CO[C@H](C)CN(C)c1[nH+]ccc2ccccc21 ZINC000528019244 387826921 /nfs/dbraw/zinc/82/69/21/387826921.db2.gz RZTXGQCZSTUZEA-LLVKDONJSA-N 1 2 230.311 2.706 20 0 BFADLO C/C=C\C[C@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000432914475 387841996 /nfs/dbraw/zinc/84/19/96/387841996.db2.gz IKXMTQYSZWDHAK-MFBWXBCUSA-N 1 2 247.338 2.674 20 0 BFADLO CC[C@H](NC(=O)CCC1CCC1)c1[nH]cc[nH+]1 ZINC000442800556 387843820 /nfs/dbraw/zinc/84/38/20/387843820.db2.gz KEVFXYRYCZKTHJ-NSHDSACASA-N 1 2 235.331 2.557 20 0 BFADLO CC[C@@H](NC(=O)CCC1CCC1)c1[nH]cc[nH+]1 ZINC000442800553 387844779 /nfs/dbraw/zinc/84/47/79/387844779.db2.gz KEVFXYRYCZKTHJ-LLVKDONJSA-N 1 2 235.331 2.557 20 0 BFADLO CC[C@@H](NC(=O)[C@@H](C)CC(C)C)c1[nH]cc[nH+]1 ZINC000442812503 387846082 /nfs/dbraw/zinc/84/60/82/387846082.db2.gz RRNZRUBSBDMKOO-WDEREUQCSA-N 1 2 237.347 2.659 20 0 BFADLO CC[N@H+](Cc1nnc(C)o1)Cc1cccc(F)c1 ZINC000061799867 387846911 /nfs/dbraw/zinc/84/69/11/387846911.db2.gz UZBDEGMQBKUYTR-UHFFFAOYSA-N 1 2 249.289 2.539 20 0 BFADLO CC[N@@H+](Cc1nnc(C)o1)Cc1cccc(F)c1 ZINC000061799867 387846919 /nfs/dbraw/zinc/84/69/19/387846919.db2.gz UZBDEGMQBKUYTR-UHFFFAOYSA-N 1 2 249.289 2.539 20 0 BFADLO CCO[C@@]1(C)C[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000528155704 387857064 /nfs/dbraw/zinc/85/70/64/387857064.db2.gz PDWNJKLODRWBRY-OCCSQVGLSA-N 1 2 245.326 2.553 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@H]1c1ccco1 ZINC000528036384 387818305 /nfs/dbraw/zinc/81/83/05/387818305.db2.gz QYHUZYXMRQIINS-NXEZZACHSA-N 1 2 230.267 2.651 20 0 BFADLO Fc1ccc2[nH+]c(NCc3cncs3)[nH]c2c1 ZINC000236191707 387877738 /nfs/dbraw/zinc/87/77/38/387877738.db2.gz KITCSOIPQJLOJD-UHFFFAOYSA-N 1 2 248.286 2.771 20 0 BFADLO CC(C)[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000444749357 387919040 /nfs/dbraw/zinc/91/90/40/387919040.db2.gz REVSIADWENMNQQ-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000444749357 387919046 /nfs/dbraw/zinc/91/90/46/387919046.db2.gz REVSIADWENMNQQ-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCC12CC2 ZINC000528321047 387901031 /nfs/dbraw/zinc/90/10/31/387901031.db2.gz WEGYWRQCCRVNED-JTQLQIEISA-N 1 2 246.310 2.609 20 0 BFADLO CC[C@H]1C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)CCO1 ZINC000424187030 387903699 /nfs/dbraw/zinc/90/36/99/387903699.db2.gz ULUXLBSAXIWJPF-GUBZILKMSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@@H]([NH2+][C@@H](c1ccccc1)C(C)C)C(=O)OC ZINC000106032100 387940999 /nfs/dbraw/zinc/94/09/99/387940999.db2.gz KYBUXCKKRPXFJF-ZIAGYGMSSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000245457248 387946216 /nfs/dbraw/zinc/94/62/16/387946216.db2.gz JPWLMUWZTMBYDN-ITGUQSILSA-N 1 2 230.311 2.765 20 0 BFADLO Cc1ccccc1C[NH2+]Cc1noc(C2CC2)n1 ZINC000438846905 387958825 /nfs/dbraw/zinc/95/88/25/387958825.db2.gz BEOKZOQSEPZXSP-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C(F)(F)F ZINC000424333984 387978477 /nfs/dbraw/zinc/97/84/77/387978477.db2.gz YGPYCABTXISJJX-BBBLOLIVSA-N 1 2 239.281 2.732 20 0 BFADLO CCO[C@@H](C)c1nc(C[N@H+](C)CC)cs1 ZINC000076721255 135048592 /nfs/dbraw/zinc/04/85/92/135048592.db2.gz FCXVHTSECHQTLT-VIFPVBQESA-N 1 2 228.361 2.692 20 0 BFADLO CCO[C@@H](C)c1nc(C[N@@H+](C)CC)cs1 ZINC000076721255 135048595 /nfs/dbraw/zinc/04/85/95/135048595.db2.gz FCXVHTSECHQTLT-VIFPVBQESA-N 1 2 228.361 2.692 20 0 BFADLO c1coc(SCc2cn3ccccc3[nH+]2)n1 ZINC000446056392 387987796 /nfs/dbraw/zinc/98/77/96/387987796.db2.gz VKPAVUVCFQVMFD-UHFFFAOYSA-N 1 2 231.280 2.615 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccco1 ZINC000453093424 387982081 /nfs/dbraw/zinc/98/20/81/387982081.db2.gz RGDSBGPIJIAJEM-GHMZBOCLSA-N 1 2 233.315 2.908 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cnccn1)c1nccs1 ZINC000080260145 387985039 /nfs/dbraw/zinc/98/50/39/387985039.db2.gz BXAPTQAPGUCOQU-ZJUUUORDSA-N 1 2 248.355 2.735 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cnccn1 ZINC000423215688 387997566 /nfs/dbraw/zinc/99/75/66/387997566.db2.gz NKUSOLXOCBXZMW-JTQLQIEISA-N 1 2 240.310 2.618 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(F)F ZINC000453229467 388017924 /nfs/dbraw/zinc/01/79/24/388017924.db2.gz DCPITRXVAJKLPL-CABZTGNLSA-N 1 2 243.297 2.873 20 0 BFADLO CC[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(F)(F)F ZINC000453234668 388019540 /nfs/dbraw/zinc/01/95/40/388019540.db2.gz XIAXGQWGPBVWNP-VGMNWLOBSA-N 1 2 247.264 2.819 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)CC2CCCCC2)c[nH+]1 ZINC000446480916 388022669 /nfs/dbraw/zinc/02/26/69/388022669.db2.gz VPMXUANJJFBWTO-JTQLQIEISA-N 1 2 249.358 2.807 20 0 BFADLO COc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1C ZINC000446767140 388036722 /nfs/dbraw/zinc/03/67/22/388036722.db2.gz UVXLZIDEMXNELY-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1cc(C[NH2+][C@H](C)c2ccon2)ccc1C ZINC000446767138 388037675 /nfs/dbraw/zinc/03/76/75/388037675.db2.gz UVXLZIDEMXNELY-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO CCC1(CC)CCN(c2cc(C)[nH+]cn2)C1 ZINC000446837204 388040557 /nfs/dbraw/zinc/04/05/57/388040557.db2.gz YTNDSBPEEOTLOA-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ccco2)o1 ZINC000453368827 388061420 /nfs/dbraw/zinc/06/14/20/388061420.db2.gz MRBHVBUPMGCSHK-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CC(C)(C)CC[C@@H](CO)Nc1cccc[nH+]1 ZINC000336657644 388070864 /nfs/dbraw/zinc/07/08/64/388070864.db2.gz IMBMGQDTSKNDJN-NSHDSACASA-N 1 2 222.332 2.681 20 0 BFADLO Cc1c(Cl)cccc1NCc1c[nH+]cn1C ZINC000085167667 388084264 /nfs/dbraw/zinc/08/42/64/388084264.db2.gz ILJBBVVQSVVDJK-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1nc(N[C@@H](C)CC2CCCCC2)cc[nH+]1 ZINC000447676418 388086062 /nfs/dbraw/zinc/08/60/62/388086062.db2.gz CAKYBOFMZFPNTO-NSHDSACASA-N 1 2 233.359 2.978 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1Cl ZINC000447743099 388090833 /nfs/dbraw/zinc/09/08/33/388090833.db2.gz SBMPTOIDPMDZIH-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1Cl ZINC000447743099 388090835 /nfs/dbraw/zinc/09/08/35/388090835.db2.gz SBMPTOIDPMDZIH-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO CCC1C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000453608849 388092012 /nfs/dbraw/zinc/09/20/12/388092012.db2.gz UXPBIPXGWPNXSC-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(C(C)C)c1)C(=O)OC ZINC000447796568 388092359 /nfs/dbraw/zinc/09/23/59/388092359.db2.gz XHFHLHRFEXNIFC-CQSZACIVSA-N 1 2 249.354 2.851 20 0 BFADLO Cc1cc(C)c(CNC(=O)NCCC(C)C)c[nH+]1 ZINC000454138532 388101050 /nfs/dbraw/zinc/10/10/50/388101050.db2.gz UJHYOKIMSPBGSL-UHFFFAOYSA-N 1 2 249.358 2.544 20 0 BFADLO CCC(CC)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000454185557 388104569 /nfs/dbraw/zinc/10/45/69/388104569.db2.gz IRDSJLUKSWWFSO-UHFFFAOYSA-N 1 2 249.358 2.686 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+](C[C@H](F)CC)C1CC1 ZINC000440506638 388046831 /nfs/dbraw/zinc/04/68/31/388046831.db2.gz RUYWSCKNGDMZBO-PWSUYJOCSA-N 1 2 245.338 2.541 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+](C[C@H](F)CC)C1CC1 ZINC000440506638 388046833 /nfs/dbraw/zinc/04/68/33/388046833.db2.gz RUYWSCKNGDMZBO-PWSUYJOCSA-N 1 2 245.338 2.541 20 0 BFADLO CC(C)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000447061451 388050408 /nfs/dbraw/zinc/05/04/08/388050408.db2.gz WNVMLSGZBDAAEU-GFCCVEGCSA-N 1 2 231.343 2.836 20 0 BFADLO Cc1cccc(CC[N@@H+]2CCC(F)(F)C2)c1 ZINC000449253956 388163844 /nfs/dbraw/zinc/16/38/44/388163844.db2.gz VGKVEBDEHNEYCC-UHFFFAOYSA-N 1 2 225.282 2.879 20 0 BFADLO Cc1cccc(CC[N@H+]2CCC(F)(F)C2)c1 ZINC000449253956 388163845 /nfs/dbraw/zinc/16/38/45/388163845.db2.gz VGKVEBDEHNEYCC-UHFFFAOYSA-N 1 2 225.282 2.879 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2csc(C)c2)n1 ZINC000449279859 388166463 /nfs/dbraw/zinc/16/64/63/388166463.db2.gz UBRVANUAZLUMNM-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1[nH]cc[nH+]1 ZINC000456063863 388174993 /nfs/dbraw/zinc/17/49/93/388174993.db2.gz JZDMMFBRSZCWBK-ZYHUDNBSSA-N 1 2 247.342 2.723 20 0 BFADLO Fc1cccc2c1CCC[C@H]2[NH2+]Cc1cocn1 ZINC000449353251 388180103 /nfs/dbraw/zinc/18/01/03/388180103.db2.gz ZHMAEZGAMDHRMB-CQSZACIVSA-N 1 2 246.285 2.981 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(F)cc1)C(F)F ZINC000449365035 388182990 /nfs/dbraw/zinc/18/29/90/388182990.db2.gz UWMVGJZMIXQCEK-JTQLQIEISA-N 1 2 217.234 2.959 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(F)cc1)C(F)F ZINC000449365036 388183089 /nfs/dbraw/zinc/18/30/89/388183089.db2.gz UWMVGJZMIXQCEK-SNVBAGLBSA-N 1 2 217.234 2.959 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ccon2)CCC1 ZINC000646024070 388126197 /nfs/dbraw/zinc/12/61/97/388126197.db2.gz PXNQWIJLCUYHGF-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccncc2F)o1 ZINC000449001752 388127541 /nfs/dbraw/zinc/12/75/41/388127541.db2.gz FWSNGBDSLGQSQV-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccncc2F)o1 ZINC000449001752 388127543 /nfs/dbraw/zinc/12/75/43/388127543.db2.gz FWSNGBDSLGQSQV-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccncc2F)n1 ZINC000449029431 388132821 /nfs/dbraw/zinc/13/28/21/388132821.db2.gz OSTYGDBOKXAYFP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccncc2F)n1 ZINC000449029431 388132823 /nfs/dbraw/zinc/13/28/23/388132823.db2.gz OSTYGDBOKXAYFP-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)CC(C)(C)C)cc[nH+]1 ZINC000455031766 388145417 /nfs/dbraw/zinc/14/54/17/388145417.db2.gz AQJYKMAWWUWGEK-LLVKDONJSA-N 1 2 249.358 2.758 20 0 BFADLO Cc1ccc(C)c(C[NH2+][C@@H](C)C(=O)OC(C)C)c1 ZINC000449666299 388250462 /nfs/dbraw/zinc/25/04/62/388250462.db2.gz RWEXDDJXVCNARU-ZDUSSCGKSA-N 1 2 249.354 2.733 20 0 BFADLO Cc1cccc(C)c1C[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449661851 388250681 /nfs/dbraw/zinc/25/06/81/388250681.db2.gz JVJHTYFFZFDONZ-ZDUSSCGKSA-N 1 2 249.354 2.733 20 0 BFADLO CC(C)Cc1ncc(C[NH2+]C(CF)CF)s1 ZINC000449380517 388189051 /nfs/dbraw/zinc/18/90/51/388189051.db2.gz NPWSUDZEJOGQTN-UHFFFAOYSA-N 1 2 248.342 2.739 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000449384281 388189840 /nfs/dbraw/zinc/18/98/40/388189840.db2.gz ASNSHVUQLBUJLX-NSHDSACASA-N 1 2 213.683 2.884 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000449384281 388189843 /nfs/dbraw/zinc/18/98/43/388189843.db2.gz ASNSHVUQLBUJLX-NSHDSACASA-N 1 2 213.683 2.884 20 0 BFADLO COc1cccc(Cl)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000449388355 388191802 /nfs/dbraw/zinc/19/18/02/388191802.db2.gz OSPKQVOFOJBEID-SECBINFHSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cccc(Cl)c1C[N@H+]1CC[C@@H](F)C1 ZINC000449388355 388191803 /nfs/dbraw/zinc/19/18/03/388191803.db2.gz OSPKQVOFOJBEID-SECBINFHSA-N 1 2 243.709 2.892 20 0 BFADLO C[C@@H]([NH2+]Cc1cc2cccnc2o1)C(C)(F)F ZINC000449412518 388198370 /nfs/dbraw/zinc/19/83/70/388198370.db2.gz FXXQJZNRVXGCDN-MRVPVSSYSA-N 1 2 240.253 2.961 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCC(C)C ZINC000456392396 388199427 /nfs/dbraw/zinc/19/94/27/388199427.db2.gz PXHWRRBHBMBREF-NSHDSACASA-N 1 2 237.347 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC(C)C ZINC000456392395 388199550 /nfs/dbraw/zinc/19/95/50/388199550.db2.gz PXHWRRBHBMBREF-LLVKDONJSA-N 1 2 237.347 2.516 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456418619 388200352 /nfs/dbraw/zinc/20/03/52/388200352.db2.gz LIYJQZPDIYVRRI-TUAOUCFPSA-N 1 2 249.358 2.831 20 0 BFADLO CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CC1 ZINC000456830488 388226678 /nfs/dbraw/zinc/22/66/78/388226678.db2.gz CXASWVAKFAOQRO-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456842557 388227168 /nfs/dbraw/zinc/22/71/68/388227168.db2.gz PWRZGCFIWYZBSN-GXFFZTMASA-N 1 2 248.370 2.997 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456849907 388227630 /nfs/dbraw/zinc/22/76/30/388227630.db2.gz VQHITKQHCIJNNY-HIFRSBDPSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cnc(C)s2)s1 ZINC000164838676 388248128 /nfs/dbraw/zinc/24/81/28/388248128.db2.gz ZKEBTDPJXMSRDM-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CC(C)([NH2+]Cc1cnc[nH]1)c1ccccc1F ZINC000492047061 388332905 /nfs/dbraw/zinc/33/29/05/388332905.db2.gz NKQUDOHZRPGGEV-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccccn2)o1 ZINC000451369720 388265708 /nfs/dbraw/zinc/26/57/08/388265708.db2.gz SBPYITWKIGBOFC-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccccn2)o1 ZINC000451369720 388265711 /nfs/dbraw/zinc/26/57/11/388265711.db2.gz SBPYITWKIGBOFC-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000193426403 388349752 /nfs/dbraw/zinc/34/97/52/388349752.db2.gz LZHXZLAZEDNKJE-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000193426403 388349753 /nfs/dbraw/zinc/34/97/53/388349753.db2.gz LZHXZLAZEDNKJE-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000648721638 388355272 /nfs/dbraw/zinc/35/52/72/388355272.db2.gz XXLLDZAZZITERM-SECBINFHSA-N 1 2 240.347 2.566 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000648721638 388355276 /nfs/dbraw/zinc/35/52/76/388355276.db2.gz XXLLDZAZZITERM-SECBINFHSA-N 1 2 240.347 2.566 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293575176 388390446 /nfs/dbraw/zinc/39/04/46/388390446.db2.gz AGQANBAQOFRMMQ-GHMZBOCLSA-N 1 2 231.299 2.580 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293575186 388390533 /nfs/dbraw/zinc/39/05/33/388390533.db2.gz AGQANBAQOFRMMQ-WDEREUQCSA-N 1 2 231.299 2.580 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2CCOC2(C)C)cc1 ZINC000293991745 388394542 /nfs/dbraw/zinc/39/45/42/388394542.db2.gz BZXDGCDVIBRGJQ-ZDUSSCGKSA-N 1 2 234.343 2.732 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccoc1)C(F)F ZINC000572952234 388397035 /nfs/dbraw/zinc/39/70/35/388397035.db2.gz SIGIMRAPDOXNNK-CBAPKCEASA-N 1 2 203.232 2.974 20 0 BFADLO Clc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000237778466 388398560 /nfs/dbraw/zinc/39/85/60/388398560.db2.gz UKRLJWYIIUSGME-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846690 388403930 /nfs/dbraw/zinc/40/39/30/388403930.db2.gz JOKPIFQJJOPPOM-CYBMUJFWSA-N 1 2 223.291 2.607 20 0 BFADLO CC(C)[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846690 388403933 /nfs/dbraw/zinc/40/39/33/388403933.db2.gz JOKPIFQJJOPPOM-CYBMUJFWSA-N 1 2 223.291 2.607 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000177155102 388476415 /nfs/dbraw/zinc/47/64/15/388476415.db2.gz ZPHWKOJPZQKGRE-YGRLFVJLSA-N 1 2 247.342 2.522 20 0 BFADLO CC(=Cc1ccccc1)C[NH2+]Cc1ccn[nH]1 ZINC000525182524 388419591 /nfs/dbraw/zinc/41/95/91/388419591.db2.gz MRKRZINXSLNGOB-FMIVXFBMSA-N 1 2 227.311 2.603 20 0 BFADLO CC(=Cc1ccccc1)C[NH2+]Cc1ccn[nH]1 ZINC000525182525 388419651 /nfs/dbraw/zinc/41/96/51/388419651.db2.gz MRKRZINXSLNGOB-XFXZXTDPSA-N 1 2 227.311 2.603 20 0 BFADLO Cc1nc(N2CCS[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000245864126 388433147 /nfs/dbraw/zinc/43/31/47/388433147.db2.gz DFGLHIVUNUXYRB-VXGBXAGGSA-N 1 2 249.383 2.649 20 0 BFADLO Cl/C=C/C[NH+](C/C=C/Cl)C1CC1 ZINC000298456926 388438119 /nfs/dbraw/zinc/43/81/19/388438119.db2.gz WVFXVUCTMGAPNO-IJIVKGSJSA-N 1 2 206.116 2.956 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528518519 388541615 /nfs/dbraw/zinc/54/16/15/388541615.db2.gz GOJXPFZUJGBBRM-DUWGPSABSA-N 1 2 229.751 2.630 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000528518519 388541616 /nfs/dbraw/zinc/54/16/16/388541616.db2.gz GOJXPFZUJGBBRM-DUWGPSABSA-N 1 2 229.751 2.630 20 0 BFADLO Cc1sccc1C[NH2+][C@@H](C)c1ccon1 ZINC000339350846 388482453 /nfs/dbraw/zinc/48/24/53/388482453.db2.gz YVPWDYNXHGEEHX-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000547822067 388487602 /nfs/dbraw/zinc/48/76/02/388487602.db2.gz HJARIIONFVQKIO-UHFFFAOYSA-N 1 2 229.327 2.652 20 0 BFADLO c1ccc2[nH]c(=[NH+]C[C@@H]3CCCSC3)[nH]c2c1 ZINC000340940901 388493566 /nfs/dbraw/zinc/49/35/66/388493566.db2.gz SYSVQPXDMBUQBK-JTQLQIEISA-N 1 2 247.367 2.540 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncccc2Cl)C[C@H]1F ZINC000528438341 388525810 /nfs/dbraw/zinc/52/58/10/388525810.db2.gz JOANNWNWTGAYRF-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@H]1F ZINC000528438341 388525813 /nfs/dbraw/zinc/52/58/13/388525813.db2.gz JOANNWNWTGAYRF-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000185677789 388590125 /nfs/dbraw/zinc/59/01/25/388590125.db2.gz FJTDUWRYJSGSHY-NWDGAFQWSA-N 1 2 232.327 2.929 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000245738328 388602843 /nfs/dbraw/zinc/60/28/43/388602843.db2.gz FWONMOOYBZAUAU-ZSBIGDGJSA-N 1 2 248.326 2.532 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccncc1F ZINC000550700116 388613472 /nfs/dbraw/zinc/61/34/72/388613472.db2.gz BOYUVPSREOJNQD-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528769150 388570465 /nfs/dbraw/zinc/57/04/65/388570465.db2.gz RCNOUJQDYXFHJF-SECBINFHSA-N 1 2 244.285 2.857 20 0 BFADLO CCc1cnc(C[N@H+]2CCC(F)(F)C[C@H]2C)o1 ZINC000528769150 388570467 /nfs/dbraw/zinc/57/04/67/388570467.db2.gz RCNOUJQDYXFHJF-SECBINFHSA-N 1 2 244.285 2.857 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2ncccc2F)n1 ZINC000528833879 388577593 /nfs/dbraw/zinc/57/75/93/388577593.db2.gz ZBJODWZBFGARHD-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC(C)(C)C)c1ccccc1C ZINC000184994013 388584707 /nfs/dbraw/zinc/58/47/07/388584707.db2.gz QKGKZVGAJYDWCP-ZDUSSCGKSA-N 1 2 249.354 2.845 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)C(C)C ZINC000125182020 388669907 /nfs/dbraw/zinc/66/99/07/388669907.db2.gz MPSOAKUPOVUGSF-AWEZNQCLSA-N 1 2 244.338 2.972 20 0 BFADLO Cc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000620409298 388646719 /nfs/dbraw/zinc/64/67/19/388646719.db2.gz LJNGIFFHVLDTCW-UHFFFAOYSA-N 1 2 243.310 2.610 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000551954808 388649707 /nfs/dbraw/zinc/64/97/07/388649707.db2.gz XXVIVJYSQYYPPD-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1sccc1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000551954808 388649708 /nfs/dbraw/zinc/64/97/08/388649708.db2.gz XXVIVJYSQYYPPD-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000551954807 388649730 /nfs/dbraw/zinc/64/97/30/388649730.db2.gz XXVIVJYSQYYPPD-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1sccc1C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000551954807 388649732 /nfs/dbraw/zinc/64/97/32/388649732.db2.gz XXVIVJYSQYYPPD-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO C[N@H+](Cc1c(F)cccc1F)CC1(F)CC1 ZINC000552373242 388698911 /nfs/dbraw/zinc/69/89/11/388698911.db2.gz ROOZMVPKHZCZOZ-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1F)CC1(F)CC1 ZINC000552373242 388698912 /nfs/dbraw/zinc/69/89/12/388698912.db2.gz ROOZMVPKHZCZOZ-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000249044994 388705345 /nfs/dbraw/zinc/70/53/45/388705345.db2.gz FXKVLNSOBCDTJD-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)[C@@H](C)CO1 ZINC000249044994 388705348 /nfs/dbraw/zinc/70/53/48/388705348.db2.gz FXKVLNSOBCDTJD-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO CCc1ccc(CN2CCn3cc[nH+]c3C2)s1 ZINC000538717037 388710394 /nfs/dbraw/zinc/71/03/94/388710394.db2.gz YLDMDAIMMOKDAT-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000068948551 388815209 /nfs/dbraw/zinc/81/52/09/388815209.db2.gz IKDXCETVGXJOOG-CYBMUJFWSA-N 1 2 249.354 2.927 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)on1 ZINC000069067923 388822712 /nfs/dbraw/zinc/82/27/12/388822712.db2.gz TXVAXFLTVCPHMC-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)on1 ZINC000069067923 388822717 /nfs/dbraw/zinc/82/27/17/388822717.db2.gz TXVAXFLTVCPHMC-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000540948956 388830188 /nfs/dbraw/zinc/83/01/88/388830188.db2.gz MMBOUQBHFRBHCJ-JOYOIKCWSA-N 1 2 234.343 2.741 20 0 BFADLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccoc1 ZINC000555780067 388861420 /nfs/dbraw/zinc/86/14/20/388861420.db2.gz OFLDDMAUWSGFJM-VIFPVBQESA-N 1 2 248.330 2.546 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccoc1 ZINC000555780066 388861452 /nfs/dbraw/zinc/86/14/52/388861452.db2.gz OFLDDMAUWSGFJM-SECBINFHSA-N 1 2 248.330 2.546 20 0 BFADLO Cc1oncc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000129656106 388863211 /nfs/dbraw/zinc/86/32/11/388863211.db2.gz POGQYSRWSYMLRJ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1oncc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000129656106 388863215 /nfs/dbraw/zinc/86/32/15/388863215.db2.gz POGQYSRWSYMLRJ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000541690923 388864194 /nfs/dbraw/zinc/86/41/94/388864194.db2.gz SPPNZXDYUWZYSE-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc(C[NH2+]C(CF)CF)c(C)s1 ZINC000556169348 388869869 /nfs/dbraw/zinc/86/98/69/388869869.db2.gz RIIJOBPXNPOYSG-UHFFFAOYSA-N 1 2 219.300 2.762 20 0 BFADLO C[C@@H](CC(=O)N[C@@H]1CCCC1(C)C)n1cc[nH+]c1 ZINC000565049211 388911788 /nfs/dbraw/zinc/91/17/88/388911788.db2.gz ZEOXYYPLKZDNGU-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)(NC(=O)CCC1CCCC1)c1[nH]cc[nH+]1 ZINC000565108718 388916012 /nfs/dbraw/zinc/91/60/12/388916012.db2.gz MHKODMGAWNGRFR-UHFFFAOYSA-N 1 2 249.358 2.731 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000565217679 388927538 /nfs/dbraw/zinc/92/75/38/388927538.db2.gz IPVORWHFYJFKIB-UHFFFAOYSA-N 1 2 224.254 2.913 20 0 BFADLO CCc1ccc(CNc2cccc(CO)[nH+]2)s1 ZINC000565458933 388945362 /nfs/dbraw/zinc/94/53/62/388945362.db2.gz ZTHPEABOPOBXIW-UHFFFAOYSA-N 1 2 248.351 2.810 20 0 BFADLO CSCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265498427 388993335 /nfs/dbraw/zinc/99/33/35/388993335.db2.gz MCJYLMCKTLSUER-UHFFFAOYSA-N 1 2 237.372 2.827 20 0 BFADLO c1ccc2[nH+]c(NCC3=CCCOC3)ccc2c1 ZINC000269589418 389009342 /nfs/dbraw/zinc/00/93/42/389009342.db2.gz RWKLQMXHXKUQCY-UHFFFAOYSA-N 1 2 240.306 2.993 20 0 BFADLO CC[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000266168229 132184304 /nfs/dbraw/zinc/18/43/04/132184304.db2.gz QGIGYZCSEMFITD-NSHDSACASA-N 1 2 205.305 2.554 20 0 BFADLO c1csc([C@@H]2CN(c3cccc[nH+]3)CCO2)c1 ZINC000268394987 132192424 /nfs/dbraw/zinc/19/24/24/132192424.db2.gz NPAOAIGXQZOEIG-NSHDSACASA-N 1 2 246.335 2.721 20 0 BFADLO CC1=C(C)CN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000281062133 132211408 /nfs/dbraw/zinc/21/14/08/132211408.db2.gz TUJHXTHZYBIBLZ-UHFFFAOYSA-N 1 2 229.327 2.901 20 0 BFADLO CSC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000292287964 132218735 /nfs/dbraw/zinc/21/87/35/132218735.db2.gz MTZMOCZPOGCOPX-LLVKDONJSA-N 1 2 222.357 2.661 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301453324 132223430 /nfs/dbraw/zinc/22/34/30/132223430.db2.gz VFOPMQMXXDXTRT-AOOOYVTPSA-N 1 2 233.359 2.884 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCC(O)CC1 ZINC000063106453 132241772 /nfs/dbraw/zinc/24/17/72/132241772.db2.gz XMIJOWHYOFSWOB-UHFFFAOYSA-N 1 2 242.322 2.504 20 0 BFADLO c1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000013488063 132249790 /nfs/dbraw/zinc/24/97/90/132249790.db2.gz SOFHJXSQCMUXKH-UHFFFAOYSA-N 1 2 210.280 2.644 20 0 BFADLO Cc1cc(N2CCc3ccccc3[C@H]2C)nc[nH+]1 ZINC000301483447 132254222 /nfs/dbraw/zinc/25/42/22/132254222.db2.gz GAOQWYAXRBWXDD-GFCCVEGCSA-N 1 2 239.322 2.909 20 0 BFADLO Fc1cc(F)c2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000301720869 132256770 /nfs/dbraw/zinc/25/67/70/132256770.db2.gz QCMSRXXWXKEIMP-UHFFFAOYSA-N 1 2 246.260 2.923 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301921352 132258466 /nfs/dbraw/zinc/25/84/66/132258466.db2.gz KZAFWGUOEXLSEF-VHSXEESVSA-N 1 2 233.359 2.884 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301921350 132258654 /nfs/dbraw/zinc/25/86/54/132258654.db2.gz KZAFWGUOEXLSEF-NXEZZACHSA-N 1 2 233.359 2.884 20 0 BFADLO CC(C)=CCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000302656773 132265519 /nfs/dbraw/zinc/26/55/19/132265519.db2.gz DDKQTHZMAHGLCP-UHFFFAOYSA-N 1 2 246.358 2.845 20 0 BFADLO CC(C)=CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000302656773 132265520 /nfs/dbraw/zinc/26/55/20/132265520.db2.gz DDKQTHZMAHGLCP-UHFFFAOYSA-N 1 2 246.358 2.845 20 0 BFADLO Cc1cc(N2CC[C@H](C)C(C)(C)C2)nc[nH+]1 ZINC000353283161 132269234 /nfs/dbraw/zinc/26/92/34/132269234.db2.gz SHQPTVFBCXULOD-JTQLQIEISA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N2CC[C@H](C)C3(CCC3)C2)nc[nH+]1 ZINC000356769550 132271848 /nfs/dbraw/zinc/27/18/48/132271848.db2.gz ANHKNEZWJXATAI-NSHDSACASA-N 1 2 231.343 2.802 20 0 BFADLO Cc1nc(N2CCCC3(CCC3)C2)cc[nH+]1 ZINC000359737600 132277493 /nfs/dbraw/zinc/27/74/93/132277493.db2.gz FFKMBLZOKVHYRM-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CC1=C[C@@H](C)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000362377141 132281378 /nfs/dbraw/zinc/28/13/78/132281378.db2.gz WSPBLYANYJNQND-SECBINFHSA-N 1 2 231.343 2.804 20 0 BFADLO c1cc(N2CCOCC2)ccc1[NH2+]C1CCCC1 ZINC000020143756 132330235 /nfs/dbraw/zinc/33/02/35/132330235.db2.gz LERFODCSXFMLCS-UHFFFAOYSA-N 1 2 246.354 2.878 20 0 BFADLO Nc1ccc(CN2CCCc3ccccc32)c[nH+]1 ZINC000050792732 132359467 /nfs/dbraw/zinc/35/94/67/132359467.db2.gz ONTWKLTWFIKJGY-UHFFFAOYSA-N 1 2 239.322 2.617 20 0 BFADLO C[NH2+]Cc1noc([C@H](c2ccccc2)C(C)C)n1 ZINC000349923992 133926437 /nfs/dbraw/zinc/92/64/37/133926437.db2.gz YZXIKGFMIIFIAQ-ZDUSSCGKSA-N 1 2 245.326 2.577 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000335939121 134013846 /nfs/dbraw/zinc/01/38/46/134013846.db2.gz CPRARSJLLVVMEV-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000335939121 134013847 /nfs/dbraw/zinc/01/38/47/134013847.db2.gz CPRARSJLLVVMEV-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000335940067 134016660 /nfs/dbraw/zinc/01/66/60/134016660.db2.gz AIYUHGXZTHGDGE-GHMZBOCLSA-N 1 2 241.718 2.686 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)o1 ZINC000335940067 134016661 /nfs/dbraw/zinc/01/66/61/134016661.db2.gz AIYUHGXZTHGDGE-GHMZBOCLSA-N 1 2 241.718 2.686 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000335940071 134016836 /nfs/dbraw/zinc/01/68/36/134016836.db2.gz AIYUHGXZTHGDGE-WDEREUQCSA-N 1 2 241.718 2.686 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000335940071 134016837 /nfs/dbraw/zinc/01/68/37/134016837.db2.gz AIYUHGXZTHGDGE-WDEREUQCSA-N 1 2 241.718 2.686 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335941317 134017776 /nfs/dbraw/zinc/01/77/76/134017776.db2.gz QQZHAWYUQYIVNG-ZIAGYGMSSA-N 1 2 235.302 2.579 20 0 BFADLO Fc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000335941317 134017777 /nfs/dbraw/zinc/01/77/77/134017777.db2.gz QQZHAWYUQYIVNG-ZIAGYGMSSA-N 1 2 235.302 2.579 20 0 BFADLO Cc1cc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)nc[nH+]1 ZINC000335961607 134026942 /nfs/dbraw/zinc/02/69/42/134026942.db2.gz BIKNJKRGUGMCJR-VTXSZYRJSA-N 1 2 243.354 2.800 20 0 BFADLO Cc1cc(N2CCc3sccc3[C@@H]2C)nc[nH+]1 ZINC000335963297 134027259 /nfs/dbraw/zinc/02/72/59/134027259.db2.gz GXKDZNWLKCBUEM-JTQLQIEISA-N 1 2 245.351 2.970 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1CC1(C)C ZINC000335963470 134027451 /nfs/dbraw/zinc/02/74/51/134027451.db2.gz DHNQASHLBJXYPM-NSHDSACASA-N 1 2 247.342 2.866 20 0 BFADLO c1sc(C[NH+]2CCSCC2)nc1C1CC1 ZINC000335989809 134039847 /nfs/dbraw/zinc/03/98/47/134039847.db2.gz JDXYRENJGSATKZ-UHFFFAOYSA-N 1 2 240.397 2.569 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC(C(C)C)CC2)no1 ZINC000336010019 134051001 /nfs/dbraw/zinc/05/10/01/134051001.db2.gz BOLNSCIDGQXWRM-SNVBAGLBSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1cc(N2CC3(CCC3)[C@H]2C2CC2)nc[nH+]1 ZINC000336024242 134056475 /nfs/dbraw/zinc/05/64/75/134056475.db2.gz KGKQVJJXSJYLIR-CYBMUJFWSA-N 1 2 229.327 2.554 20 0 BFADLO CC1CCC(c2noc(Cn3cc[nH+]c3)n2)CC1 ZINC000336032326 134058875 /nfs/dbraw/zinc/05/88/75/134058875.db2.gz PNVKYXIVLWEGIE-UHFFFAOYSA-N 1 2 246.314 2.608 20 0 BFADLO C[N@H+](Cc1ncc(Cl)s1)[C@H]1CCSC1 ZINC000336068193 134071005 /nfs/dbraw/zinc/07/10/05/134071005.db2.gz FJAGPCSGKRUYTA-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO C[N@@H+](Cc1ncc(Cl)s1)[C@H]1CCSC1 ZINC000336068193 134071006 /nfs/dbraw/zinc/07/10/06/134071006.db2.gz FJAGPCSGKRUYTA-ZETCQYMHSA-N 1 2 248.804 2.734 20 0 BFADLO Fc1ccc2c(c1F)CN(c1cccc[nH+]1)CC2 ZINC000336099921 134081438 /nfs/dbraw/zinc/08/14/38/134081438.db2.gz DVSMRLKSVLMIDX-UHFFFAOYSA-N 1 2 246.260 2.923 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000336190599 134123473 /nfs/dbraw/zinc/12/34/73/134123473.db2.gz SJZYNSPXSYTRJD-SECBINFHSA-N 1 2 237.372 2.790 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000336190599 134123474 /nfs/dbraw/zinc/12/34/74/134123474.db2.gz SJZYNSPXSYTRJD-SECBINFHSA-N 1 2 237.372 2.790 20 0 BFADLO Cc1cc(N2CC[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000336198849 134127927 /nfs/dbraw/zinc/12/79/27/134127927.db2.gz UUUBQHOONJPSHJ-GFCCVEGCSA-N 1 2 229.327 2.651 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(F)cc1Cl ZINC000085168017 134224753 /nfs/dbraw/zinc/22/47/53/134224753.db2.gz SQNSGPJUEKFTFN-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Fc1cc(F)cc(C[NH2+]Cc2nccs2)c1 ZINC000218088726 134251758 /nfs/dbraw/zinc/25/17/58/134251758.db2.gz VHPCOEJSAGITGE-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO Cc1nc(NCC(C)(C)C(C)C)cc[nH+]1 ZINC000218917525 134270546 /nfs/dbraw/zinc/27/05/46/134270546.db2.gz ADXGCWLIGRDRPV-UHFFFAOYSA-N 1 2 207.321 2.879 20 0 BFADLO Cc1cccn2cc(CSc3ncc[nH]3)[nH+]c12 ZINC000172931808 134270863 /nfs/dbraw/zinc/27/08/63/134270863.db2.gz JKSOUEMXQZWMLE-UHFFFAOYSA-N 1 2 244.323 2.658 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCC1CCOCC1 ZINC000173124264 134273761 /nfs/dbraw/zinc/27/37/61/134273761.db2.gz ULSSKVVTUNZWPN-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO CCC1(C(=O)Nc2c[nH+]ccc2OC)CCC1 ZINC000176975394 134295196 /nfs/dbraw/zinc/29/51/96/134295196.db2.gz RBAODRSEGFPYAI-UHFFFAOYSA-N 1 2 234.299 2.609 20 0 BFADLO C[C@H](c1ccccn1)[N@H+](C)Cc1nccs1 ZINC000177363556 134297690 /nfs/dbraw/zinc/29/76/90/134297690.db2.gz ZRUBODVNJTWZRM-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1nccs1 ZINC000177363556 134297691 /nfs/dbraw/zinc/29/76/91/134297691.db2.gz ZRUBODVNJTWZRM-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO c1cn2c(cccc2CN2CCc3ccccc32)[nH+]1 ZINC000180032951 134325827 /nfs/dbraw/zinc/32/58/27/134325827.db2.gz GYIWPVJCZKPSRG-UHFFFAOYSA-N 1 2 249.317 2.897 20 0 BFADLO CCCc1nc(C[NH+](C(C)C)C(C)C)no1 ZINC000183036082 134350464 /nfs/dbraw/zinc/35/04/64/134350464.db2.gz FSJPKXQBGGGEIC-UHFFFAOYSA-N 1 2 225.336 2.641 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1cc(F)ccc1F ZINC000183740416 134353849 /nfs/dbraw/zinc/35/38/49/134353849.db2.gz VDMPZDDFGRZPMM-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1cc(F)ccc1F ZINC000183740416 134353850 /nfs/dbraw/zinc/35/38/50/134353850.db2.gz VDMPZDDFGRZPMM-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1ccc(COc2ccccc2CO)c(C)[nH+]1 ZINC000185376793 134377391 /nfs/dbraw/zinc/37/73/91/134377391.db2.gz OULFKSPHRQWSPF-UHFFFAOYSA-N 1 2 243.306 2.770 20 0 BFADLO Cc1cnc(NCc2cccc3[nH+]ccn32)s1 ZINC000185859692 134397762 /nfs/dbraw/zinc/39/77/62/134397762.db2.gz JTOIVXYSPPYOIQ-UHFFFAOYSA-N 1 2 244.323 2.711 20 0 BFADLO CC(C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066850304 134889921 /nfs/dbraw/zinc/88/99/21/134889921.db2.gz IRWQWFVAJOTPKB-ZDUSSCGKSA-N 1 2 241.281 2.747 20 0 BFADLO CC(C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066850304 134889923 /nfs/dbraw/zinc/88/99/23/134889923.db2.gz IRWQWFVAJOTPKB-ZDUSSCGKSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)[C@H]1C ZINC000248527313 135002935 /nfs/dbraw/zinc/00/29/35/135002935.db2.gz HFFPPTSLVYATDO-VGMNWLOBSA-N 1 2 209.255 2.963 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC[C@@H](C)O1 ZINC000248890670 135024929 /nfs/dbraw/zinc/02/49/29/135024929.db2.gz IDNDXEGLEPSICD-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC[C@@H](C)O1 ZINC000248890670 135024930 /nfs/dbraw/zinc/02/49/30/135024930.db2.gz IDNDXEGLEPSICD-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCO[C@H](C)c1nc(C[N@H+](C)CC)cs1 ZINC000076721251 135048228 /nfs/dbraw/zinc/04/82/28/135048228.db2.gz FCXVHTSECHQTLT-SECBINFHSA-N 1 2 228.361 2.692 20 0 BFADLO CCO[C@H](C)c1nc(C[N@@H+](C)CC)cs1 ZINC000076721251 135048230 /nfs/dbraw/zinc/04/82/30/135048230.db2.gz FCXVHTSECHQTLT-SECBINFHSA-N 1 2 228.361 2.692 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000342539430 135294530 /nfs/dbraw/zinc/29/45/30/135294530.db2.gz NSJRHQCROSPOED-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000342539430 135294531 /nfs/dbraw/zinc/29/45/31/135294531.db2.gz NSJRHQCROSPOED-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CC(C)Oc1ccccc1Cn1cc[nH+]c1 ZINC000079207742 135294902 /nfs/dbraw/zinc/29/49/02/135294902.db2.gz BLZREBXXHZQKJQ-UHFFFAOYSA-N 1 2 216.284 2.719 20 0 BFADLO CCN(Cc1cccs1)Cc1[nH+]cc(C)n1C ZINC000342779304 135317394 /nfs/dbraw/zinc/31/73/94/135317394.db2.gz KTUAPYKWONOQTE-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1ncc(C)n1C ZINC000342779304 135317396 /nfs/dbraw/zinc/31/73/96/135317396.db2.gz KTUAPYKWONOQTE-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1ncc(C)n1C ZINC000342779304 135317398 /nfs/dbraw/zinc/31/73/98/135317398.db2.gz KTUAPYKWONOQTE-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H]2CCc3ccccc32)n1 ZINC000334164684 135322799 /nfs/dbraw/zinc/32/27/99/135322799.db2.gz AFCYKMJKNKSWSJ-ZANVPECISA-N 1 2 243.310 2.716 20 0 BFADLO Cc1cccn2c(C[N@@H+]3CC[C@](C)(F)C3)cnc12 ZINC000334166298 135323601 /nfs/dbraw/zinc/32/36/01/135323601.db2.gz ACMGVAMEFQLXSJ-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(C[N@H+]3CC[C@](C)(F)C3)cnc12 ZINC000334166298 135323603 /nfs/dbraw/zinc/32/36/03/135323603.db2.gz ACMGVAMEFQLXSJ-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(CN3CC[C@](C)(F)C3)c[nH+]c12 ZINC000334166298 135323605 /nfs/dbraw/zinc/32/36/05/135323605.db2.gz ACMGVAMEFQLXSJ-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cn2ccccc2n1 ZINC000343021433 135346039 /nfs/dbraw/zinc/34/60/39/135346039.db2.gz ALABWGBKPJKQPF-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cn2ccccc2n1 ZINC000343021433 135346041 /nfs/dbraw/zinc/34/60/41/135346041.db2.gz ALABWGBKPJKQPF-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO C[C@H](Nc1c[nH+]c2c(c1)CCCC2)[C@@H]1CCOC1 ZINC000334349177 135368324 /nfs/dbraw/zinc/36/83/24/135368324.db2.gz ZWBYFLNGDLBTTM-WCQYABFASA-N 1 2 246.354 2.797 20 0 BFADLO OC1(C[N@@H+]2CC[C@H](c3ccccc3F)C2)CCC1 ZINC000334357524 135370429 /nfs/dbraw/zinc/37/04/29/135370429.db2.gz QGRGUIJPULADFZ-LBPRGKRZSA-N 1 2 249.329 2.530 20 0 BFADLO OC1(C[N@H+]2CC[C@H](c3ccccc3F)C2)CCC1 ZINC000334357524 135370430 /nfs/dbraw/zinc/37/04/30/135370430.db2.gz QGRGUIJPULADFZ-LBPRGKRZSA-N 1 2 249.329 2.530 20 0 BFADLO CCCC(CCC)c1nnc(C[NH+](C)C)o1 ZINC001331889449 974849494 /nfs/dbraw/zinc/84/94/94/974849494.db2.gz IXYOISORGINMJB-UHFFFAOYSA-N 1 2 225.336 2.815 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(F)ccc1C ZINC000090169816 135546160 /nfs/dbraw/zinc/54/61/60/135546160.db2.gz CQMIODKVXVQKJB-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1cc(CNC(=O)C2CC(C)(C)C2)cc(C)[nH+]1 ZINC000335057023 135875481 /nfs/dbraw/zinc/87/54/81/135875481.db2.gz VUCSUTOHWXSDSL-UHFFFAOYSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1C=CCC1 ZINC000335205096 135956084 /nfs/dbraw/zinc/95/60/84/135956084.db2.gz VIEXYICIDUWOTQ-LBPRGKRZSA-N 1 2 230.311 2.993 20 0 BFADLO CCc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000348132034 136038353 /nfs/dbraw/zinc/03/83/53/136038353.db2.gz UJQMUGZHKWTFIQ-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cn1 ZINC000348132034 136038354 /nfs/dbraw/zinc/03/83/54/136038354.db2.gz UJQMUGZHKWTFIQ-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO CCC[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)OC ZINC000348176985 136042978 /nfs/dbraw/zinc/04/29/78/136042978.db2.gz XAMPDERJQSIABM-UONOGXRCSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1cc(F)cc2c1C[N@H+](Cc1ccon1)CC2 ZINC000335321851 136050117 /nfs/dbraw/zinc/05/01/17/136050117.db2.gz ZKCWPESFSHBDOA-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccon1)CC2 ZINC000335321851 136050118 /nfs/dbraw/zinc/05/01/18/136050118.db2.gz ZKCWPESFSHBDOA-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(N(C)CC(F)F)nc(C(C)C)[nH+]1 ZINC000348356143 136072306 /nfs/dbraw/zinc/07/23/06/136072306.db2.gz WRGQPDTWIHQANO-UHFFFAOYSA-N 1 2 229.274 2.610 20 0 BFADLO CN(Cc1c[nH+]cn1C)c1ccc2cc[nH]c2c1 ZINC000348333576 136075295 /nfs/dbraw/zinc/07/52/95/136075295.db2.gz ZOLRITXPSAPRBT-UHFFFAOYSA-N 1 2 240.310 2.538 20 0 BFADLO Fc1ccc2cc[nH+]c(N3CC[C@@H](F)C3)c2c1 ZINC000335401893 136082175 /nfs/dbraw/zinc/08/21/75/136082175.db2.gz WHMNXRYKWFJHCY-LLVKDONJSA-N 1 2 234.249 2.922 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H](C)C2CC2)c(C)[nH+]1 ZINC000335589169 136102664 /nfs/dbraw/zinc/10/26/64/136102664.db2.gz GOZGBUNBSUWLOA-SNVBAGLBSA-N 1 2 247.342 2.927 20 0 BFADLO CCC[C@@H](c1nnc(C[NH+](C)C)o1)C(C)C ZINC001331892075 974851834 /nfs/dbraw/zinc/85/18/34/974851834.db2.gz XPIGEPRYISRWAE-SNVBAGLBSA-N 1 2 225.336 2.671 20 0 BFADLO C[N@H+](CCc1ccccn1)C/C(Cl)=C/Cl ZINC000153094160 397739640 /nfs/dbraw/zinc/73/96/40/397739640.db2.gz XULPKVWNFFJQKO-NTMALXAHSA-N 1 2 245.153 2.875 20 0 BFADLO C[N@@H+](CCc1ccccn1)C/C(Cl)=C/Cl ZINC000153094160 397739644 /nfs/dbraw/zinc/73/96/44/397739644.db2.gz XULPKVWNFFJQKO-NTMALXAHSA-N 1 2 245.153 2.875 20 0 BFADLO CSc1ccc(N(C)Cc2[nH+]ccn2C)cc1 ZINC000264826630 397927377 /nfs/dbraw/zinc/92/73/77/397927377.db2.gz OTFLZGTTYPNRAK-UHFFFAOYSA-N 1 2 247.367 2.778 20 0 BFADLO CCC[N@H+](C[C@H](F)CC)[C@H](CC)C(=O)OCC ZINC000440527861 397931566 /nfs/dbraw/zinc/93/15/66/397931566.db2.gz UBKOFMQMWITREO-VXGBXAGGSA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@@H+](C[C@H](F)CC)[C@H](CC)C(=O)OCC ZINC000440527861 397931570 /nfs/dbraw/zinc/93/15/70/397931570.db2.gz UBKOFMQMWITREO-VXGBXAGGSA-N 1 2 247.354 2.788 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1ccncc1F ZINC000449021825 397950238 /nfs/dbraw/zinc/95/02/38/397950238.db2.gz VOZBXRCLCXEWKS-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1ccncc1F ZINC000449021825 397950242 /nfs/dbraw/zinc/95/02/42/397950242.db2.gz VOZBXRCLCXEWKS-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO CCn1ccc(C[NH2+]Cc2ccccc2Cl)n1 ZINC000414485251 397954831 /nfs/dbraw/zinc/95/48/31/397954831.db2.gz RADLLPDNXURBNF-UHFFFAOYSA-N 1 2 249.745 2.846 20 0 BFADLO CCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCCC1 ZINC000359783684 397957552 /nfs/dbraw/zinc/95/75/52/397957552.db2.gz CPIBGPGESPDVDP-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CCC1(Nc2cc(C)[nH+]cn2)CCCC1 ZINC000382558969 397957962 /nfs/dbraw/zinc/95/79/62/397957962.db2.gz KTHSMDSTZQNJSW-UHFFFAOYSA-N 1 2 205.305 2.920 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(C)c1 ZINC000492822523 397898748 /nfs/dbraw/zinc/89/87/48/397898748.db2.gz JVAKOQQPNBEOAE-GQCTYLIASA-N 1 2 241.294 2.678 20 0 BFADLO C[C@H]([NH2+]c1ccc(-n2ccnn2)cc1)C1CCC1 ZINC000195094068 397900140 /nfs/dbraw/zinc/90/01/40/397900140.db2.gz SETMISAXYLPUCR-NSHDSACASA-N 1 2 242.326 2.868 20 0 BFADLO CC(C)c1nc(NC[C@@H](C)C(F)(F)F)cc[nH+]1 ZINC000355791784 397923719 /nfs/dbraw/zinc/92/37/19/397923719.db2.gz XWYDLKAVALKTJJ-MRVPVSSYSA-N 1 2 247.264 2.632 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC000372503808 398004705 /nfs/dbraw/zinc/00/47/05/398004705.db2.gz JRDMZXJUUXMOPV-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC000372503808 398004707 /nfs/dbraw/zinc/00/47/07/398004707.db2.gz JRDMZXJUUXMOPV-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO COCc1cc[nH+]c(NCc2ccc(C)cn2)c1 ZINC000650243571 398006205 /nfs/dbraw/zinc/00/62/05/398006205.db2.gz FVLIFJITRNHOJH-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO Cc1cnccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000275069793 398018685 /nfs/dbraw/zinc/01/86/85/398018685.db2.gz ZCRVAGNNGWMCQB-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO C[N@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CC1(C)C ZINC000489425513 398023936 /nfs/dbraw/zinc/02/39/36/398023936.db2.gz LXNDXXYINIRRLT-VIFPVBQESA-N 1 2 237.347 2.597 20 0 BFADLO C[N@@H+](Cc1nc(C(C)(C)C)no1)[C@H]1CC1(C)C ZINC000489425513 398023939 /nfs/dbraw/zinc/02/39/39/398023939.db2.gz LXNDXXYINIRRLT-VIFPVBQESA-N 1 2 237.347 2.597 20 0 BFADLO CSCc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000277015429 398024813 /nfs/dbraw/zinc/02/48/13/398024813.db2.gz LYVQVGSDQORDTE-UHFFFAOYSA-N 1 2 248.351 2.827 20 0 BFADLO CCOC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000277011717 398025409 /nfs/dbraw/zinc/02/54/09/398025409.db2.gz YBFGLSGHLNHYKM-LBPRGKRZSA-N 1 2 249.358 2.827 20 0 BFADLO c1ccc(NCc2ccc3c(n2)CCCC3)[nH+]c1 ZINC000277954204 398034817 /nfs/dbraw/zinc/03/48/17/398034817.db2.gz KDFGYMDRFZWHMQ-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO Cc1cc(C)cc([C@@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC000361033934 397969479 /nfs/dbraw/zinc/96/94/79/397969479.db2.gz UYGCYWBWHMXMNS-GFCCVEGCSA-N 1 2 241.338 2.997 20 0 BFADLO COCc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000163327694 397970642 /nfs/dbraw/zinc/97/06/42/397970642.db2.gz QORLWYNONRPHRB-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO FC1(F)CCC[N@H+](CCCc2ccncc2)C1 ZINC000649695096 398042921 /nfs/dbraw/zinc/04/29/21/398042921.db2.gz HSIZMNTUOVHWIK-UHFFFAOYSA-N 1 2 240.297 2.745 20 0 BFADLO FC1(F)CCC[N@@H+](CCCc2ccncc2)C1 ZINC000649695096 398042923 /nfs/dbraw/zinc/04/29/23/398042923.db2.gz HSIZMNTUOVHWIK-UHFFFAOYSA-N 1 2 240.297 2.745 20 0 BFADLO FC1(F)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000649695272 398042987 /nfs/dbraw/zinc/04/29/87/398042987.db2.gz PAYHHCQEOWQZEG-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO FC1(F)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000649695272 398042989 /nfs/dbraw/zinc/04/29/89/398042989.db2.gz PAYHHCQEOWQZEG-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO CCN(C(=O)CCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000279270997 398043465 /nfs/dbraw/zinc/04/34/65/398043465.db2.gz VIVWHGWKVLXMCX-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)nc[nH+]1 ZINC000624444395 398092357 /nfs/dbraw/zinc/09/23/57/398092357.db2.gz BGJVNWXPQTUXEF-RKDXNWHRSA-N 1 2 241.285 2.513 20 0 BFADLO Cc1ccc(NC(=O)N2CCC(C)CC2)c(C)[nH+]1 ZINC000122693418 398093061 /nfs/dbraw/zinc/09/30/61/398093061.db2.gz QBWDNPZEVKETPY-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO CCOC(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000186787827 398076173 /nfs/dbraw/zinc/07/61/73/398076173.db2.gz OHIDEJDVCQOBDP-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO CCC[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189028325 398096496 /nfs/dbraw/zinc/09/64/96/398096496.db2.gz BMNPPZRKXWUCHE-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189028325 398096500 /nfs/dbraw/zinc/09/65/00/398096500.db2.gz BMNPPZRKXWUCHE-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccns1 ZINC000630075991 398095875 /nfs/dbraw/zinc/09/58/75/398095875.db2.gz JQBWYSZMUDZZGZ-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccns1 ZINC000630075991 398095877 /nfs/dbraw/zinc/09/58/77/398095877.db2.gz JQBWYSZMUDZZGZ-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO CCC1(CC)CC[NH+](Cc2noc(C)n2)CC1 ZINC000186549764 398054735 /nfs/dbraw/zinc/05/47/35/398054735.db2.gz HINYTQPXYZOUNA-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000389483336 398101863 /nfs/dbraw/zinc/10/18/63/398101863.db2.gz YGOUHYOBQGAOJR-VIFPVBQESA-N 1 2 214.259 2.523 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000293140788 398112654 /nfs/dbraw/zinc/11/26/54/398112654.db2.gz UCTHDDJYKXJIEL-VHSXEESVSA-N 1 2 224.373 2.936 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000293140788 398112659 /nfs/dbraw/zinc/11/26/59/398112659.db2.gz UCTHDDJYKXJIEL-VHSXEESVSA-N 1 2 224.373 2.936 20 0 BFADLO FCC1CC[NH+](Cc2cc(F)ncc2F)CC1 ZINC000295048317 398131303 /nfs/dbraw/zinc/13/13/03/398131303.db2.gz NEZWBCBDLOSXOU-UHFFFAOYSA-N 1 2 244.260 2.541 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCCCO1 ZINC000135381472 398134490 /nfs/dbraw/zinc/13/44/90/398134490.db2.gz KFYDWJUBRSUNBN-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCCCO1 ZINC000135381472 398134495 /nfs/dbraw/zinc/13/44/95/398134495.db2.gz KFYDWJUBRSUNBN-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO C[C@H]1CCCC[C@@H]1C[NH2+]CC(F)(F)F ZINC000042862565 177079668 /nfs/dbraw/zinc/07/96/68/177079668.db2.gz BHEMRJSTBQOKJG-DTWKUNHWSA-N 1 2 209.255 2.965 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000666267416 487597287 /nfs/dbraw/zinc/59/72/87/487597287.db2.gz QMZXHWWSVLHNJX-MKPLZMMCSA-N 1 2 231.299 2.518 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccn(C)n1 ZINC000680460096 487599050 /nfs/dbraw/zinc/59/90/50/487599050.db2.gz QKASRFMZPBUBMY-NEPJUHHUSA-N 1 2 244.342 2.617 20 0 BFADLO CC1(C)CCC(O)(CNc2cccc[nH+]2)CC1 ZINC000087067034 487602318 /nfs/dbraw/zinc/60/23/18/487602318.db2.gz RNSXSACAOJOAGF-UHFFFAOYSA-N 1 2 234.343 2.825 20 0 BFADLO CC(C)SCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353196174 167323892 /nfs/dbraw/zinc/32/38/92/167323892.db2.gz RTEZQGASESIETI-SECBINFHSA-N 1 2 223.332 2.858 20 0 BFADLO CC(C)SCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353196174 167323893 /nfs/dbraw/zinc/32/38/93/167323893.db2.gz RTEZQGASESIETI-SECBINFHSA-N 1 2 223.332 2.858 20 0 BFADLO CC(C)SCCNc1cc[nH+]c(C(C)C)n1 ZINC000336744078 167328894 /nfs/dbraw/zinc/32/88/94/167328894.db2.gz PUOSCLLVIQUNBO-UHFFFAOYSA-N 1 2 239.388 2.575 20 0 BFADLO Cc1noc(C[N@H+](C)C/C=C\c2ccccc2)n1 ZINC000653891246 487610491 /nfs/dbraw/zinc/61/04/91/487610491.db2.gz BLFHBECQOMINNE-TWGQIWQCSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1noc(C[N@@H+](C)C/C=C\c2ccccc2)n1 ZINC000653891246 487610497 /nfs/dbraw/zinc/61/04/97/487610497.db2.gz BLFHBECQOMINNE-TWGQIWQCSA-N 1 2 243.310 2.523 20 0 BFADLO CC12CC(C1)C[N@@H+]2Cc1ncc(Cl)s1 ZINC000662385313 409690210 /nfs/dbraw/zinc/69/02/10/409690210.db2.gz RSZZCEDBJXQSBG-UHFFFAOYSA-N 1 2 228.748 2.781 20 0 BFADLO CC12CC(C1)C[N@H+]2Cc1ncc(Cl)s1 ZINC000662385313 409690211 /nfs/dbraw/zinc/69/02/11/409690211.db2.gz RSZZCEDBJXQSBG-UHFFFAOYSA-N 1 2 228.748 2.781 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)[C@@H]1CCOC1 ZINC000651971529 409943841 /nfs/dbraw/zinc/94/38/41/409943841.db2.gz JDVMRGSBNLMCTN-NXEZZACHSA-N 1 2 238.356 2.640 20 0 BFADLO COCC[C@@H](C)Nc1[nH+]cccc1SC ZINC000651971365 409943967 /nfs/dbraw/zinc/94/39/67/409943967.db2.gz BNPPJCNVVTUEQQ-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CSC[C@@H]1C ZINC000651980007 410115908 /nfs/dbraw/zinc/11/59/08/410115908.db2.gz WJNQLDGHHAGSJI-CABZTGNLSA-N 1 2 222.357 2.807 20 0 BFADLO CC(C)CC(C)(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401863 410205773 /nfs/dbraw/zinc/20/57/73/410205773.db2.gz PMBFACYYKDRUJE-SNVBAGLBSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1ccc(NCCCc2[nH+]cccc2C)nn1 ZINC000663966185 410406437 /nfs/dbraw/zinc/40/64/37/410406437.db2.gz RQHUCOREZIXZDE-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1nnc(C)o1 ZINC000661529387 410730397 /nfs/dbraw/zinc/73/03/97/410730397.db2.gz WXLOWJMELDVWJW-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1nnc(C)o1 ZINC000661529387 410730404 /nfs/dbraw/zinc/73/04/04/410730404.db2.gz WXLOWJMELDVWJW-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674094319 487618567 /nfs/dbraw/zinc/61/85/67/487618567.db2.gz SQGSLUOAQWJIMJ-NSHDSACASA-N 1 2 246.354 2.831 20 0 BFADLO CC(C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977977 167145059 /nfs/dbraw/zinc/14/50/59/167145059.db2.gz ULCFRNYBOMIQOL-UHFFFAOYSA-N 1 2 201.273 2.693 20 0 BFADLO CC(C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940113 167146309 /nfs/dbraw/zinc/14/63/09/167146309.db2.gz IUZKPZCKDKAKHV-UHFFFAOYSA-N 1 2 201.273 2.693 20 0 BFADLO CC(C)[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000128660099 167147933 /nfs/dbraw/zinc/14/79/33/167147933.db2.gz CKWGBOKZTBRKFQ-UHFFFAOYSA-N 1 2 223.316 2.657 20 0 BFADLO CC(C)OCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110112023 167226150 /nfs/dbraw/zinc/22/61/50/167226150.db2.gz KIUCCDIKAQXBHV-UHFFFAOYSA-N 1 2 235.331 2.581 20 0 BFADLO CC(C)[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171971633 167348109 /nfs/dbraw/zinc/34/81/09/167348109.db2.gz CTSZWWDRXNPCRD-NEPJUHHUSA-N 1 2 249.358 2.755 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188645774 167384947 /nfs/dbraw/zinc/38/49/47/167384947.db2.gz DKOIITYDKALEPQ-LLVKDONJSA-N 1 2 235.327 2.921 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@H]1CCCC1(F)F ZINC000651345856 410927888 /nfs/dbraw/zinc/92/78/88/410927888.db2.gz BZNKQIDDVJOFQO-ZJUUUORDSA-N 1 2 243.301 2.741 20 0 BFADLO CC(C)[C@@H](NC(=O)c1cccs1)c1[nH]cc[nH+]1 ZINC000276638320 167428784 /nfs/dbraw/zinc/42/87/84/167428784.db2.gz QLWJTKQMLNEGJO-SNVBAGLBSA-N 1 2 249.339 2.598 20 0 BFADLO c1cc(N2CCC23CCCC3)nc(C2CC2)[nH+]1 ZINC000651374055 410959957 /nfs/dbraw/zinc/95/99/57/410959957.db2.gz YMSLUDTZGNQBGL-UHFFFAOYSA-N 1 2 229.327 2.877 20 0 BFADLO CCc1nc(N2CCCC(F)(F)C2)cc(C)[nH+]1 ZINC000651385828 410968671 /nfs/dbraw/zinc/96/86/71/410968671.db2.gz SWVGUWOEZKMPOD-UHFFFAOYSA-N 1 2 241.285 2.583 20 0 BFADLO C[C@@H](CCO)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000651471783 411054168 /nfs/dbraw/zinc/05/41/68/411054168.db2.gz DPAJREPOPIZVQT-JTQLQIEISA-N 1 2 248.301 2.581 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cncs2)[C@@H](CC)CO1 ZINC000651912833 411150090 /nfs/dbraw/zinc/15/00/90/411150090.db2.gz FXODBHPTNKNEAP-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cncs2)[C@@H](CC)CO1 ZINC000651912833 411150091 /nfs/dbraw/zinc/15/00/91/411150091.db2.gz FXODBHPTNKNEAP-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO Cn1c[nH+]c(CN2CC[C@H]2c2cccc(F)c2)c1 ZINC000659987054 411157047 /nfs/dbraw/zinc/15/70/47/411157047.db2.gz UXXUTMODYIGSKF-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO COC[C@@H](CC(C)(C)C)Nc1cccc[nH+]1 ZINC000652174110 411164765 /nfs/dbraw/zinc/16/47/65/411164765.db2.gz IUHSIKAIOQHBBV-LLVKDONJSA-N 1 2 222.332 2.945 20 0 BFADLO CCC(CC)Nc1cc(COC)cc[nH+]1 ZINC000652067829 411104711 /nfs/dbraw/zinc/10/47/11/411104711.db2.gz IWYALHTWDUXSLV-UHFFFAOYSA-N 1 2 208.305 2.829 20 0 BFADLO COCc1cc[nH+]c(NC2CC(C)(C)C2)c1 ZINC000652067945 411105030 /nfs/dbraw/zinc/10/50/30/411105030.db2.gz MJYGKORDCVEJNR-UHFFFAOYSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)CC2CC2)c1 ZINC000652067952 411105144 /nfs/dbraw/zinc/10/51/44/411105144.db2.gz MLWRAEPIWMWTFK-SNVBAGLBSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)Cc2ccoc2)c1 ZINC000652067776 411105396 /nfs/dbraw/zinc/10/53/96/411105396.db2.gz GVEJXVDYXFHVJY-NSHDSACASA-N 1 2 246.310 2.864 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCCSCC1 ZINC000657954050 411180061 /nfs/dbraw/zinc/18/00/61/411180061.db2.gz DSSIIZFDBBRWKQ-SNVBAGLBSA-N 1 2 238.356 2.788 20 0 BFADLO CC[C@H]1CCCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656127064 411183235 /nfs/dbraw/zinc/18/32/35/411183235.db2.gz LKCZWVACQCODAX-LBPRGKRZSA-N 1 2 249.358 2.810 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1nc[nH+]c(C)c1OC ZINC000656127695 411183286 /nfs/dbraw/zinc/18/32/86/411183286.db2.gz WSQGDFGKAREZPQ-RKDXNWHRSA-N 1 2 223.320 2.640 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1NCCC1CC1 ZINC000656128870 411183767 /nfs/dbraw/zinc/18/37/67/411183767.db2.gz IFRBNBNNVZUOGV-UHFFFAOYSA-N 1 2 247.342 2.883 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@@H](CC(C)C)C1 ZINC000656134169 411184912 /nfs/dbraw/zinc/18/49/12/411184912.db2.gz RJXWVRQBFAFVBX-LBPRGKRZSA-N 1 2 249.358 2.666 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1NC1CC=CC1 ZINC000656146274 411185935 /nfs/dbraw/zinc/18/59/35/411185935.db2.gz AKUBHCVVNBGWMC-UHFFFAOYSA-N 1 2 245.326 2.802 20 0 BFADLO CCC[C@@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656146328 411185989 /nfs/dbraw/zinc/18/59/89/411185989.db2.gz GMXSKHCFDCNKHE-GFCCVEGCSA-N 1 2 249.358 2.810 20 0 BFADLO COc1c(C)[nH+]cnc1NCCC=C(C)C ZINC000656175864 411193762 /nfs/dbraw/zinc/19/37/62/411193762.db2.gz FNHNGXUJRKBCRW-UHFFFAOYSA-N 1 2 221.304 2.562 20 0 BFADLO CC(C)OCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653831070 411195849 /nfs/dbraw/zinc/19/58/49/411195849.db2.gz SWEFNUPBDYFDFC-UHFFFAOYSA-N 1 2 241.281 2.705 20 0 BFADLO COc1c(C)[nH+]cnc1NCCCC(C)(F)F ZINC000656192588 411198314 /nfs/dbraw/zinc/19/83/14/411198314.db2.gz GQYJEDITCYJJBS-UHFFFAOYSA-N 1 2 245.273 2.641 20 0 BFADLO Cc1cc(N[C@H]2C[C@H](OC(C)(C)C)C2)nc[nH+]1 ZINC000656221690 411212743 /nfs/dbraw/zinc/21/27/43/411212743.db2.gz PHJHJWSNNMHBHV-XYPYZODXSA-N 1 2 235.331 2.543 20 0 BFADLO CCc1cc(N[C@H](CC)[C@@H]2CCCCO2)nc[nH+]1 ZINC000656227151 411212759 /nfs/dbraw/zinc/21/27/59/411212759.db2.gz JXFVVUKKOJKPFV-OLZOCXBDSA-N 1 2 249.358 2.799 20 0 BFADLO Nc1ccc(NC(=O)[C@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000659294492 411220864 /nfs/dbraw/zinc/22/08/64/411220864.db2.gz KPEZBJDYWPXGBW-JTQLQIEISA-N 1 2 245.326 2.573 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cn(C)cn1)C1CC1 ZINC000660096669 411230523 /nfs/dbraw/zinc/23/05/23/411230523.db2.gz AAQBUXFMDWGQQX-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cn(C)cn1)C1CC1 ZINC000660096669 411230524 /nfs/dbraw/zinc/23/05/24/411230524.db2.gz AAQBUXFMDWGQQX-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO Fc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655690234 411234292 /nfs/dbraw/zinc/23/42/92/411234292.db2.gz IXQRIHNSUNIVJE-ZDUSSCGKSA-N 1 2 245.301 2.647 20 0 BFADLO C[C@H]1CC(=O)c2cccc(-c3[nH+]ccn3C)c21 ZINC000656371560 411236760 /nfs/dbraw/zinc/23/67/60/411236760.db2.gz IHDYSVKXWLJVKB-VIFPVBQESA-N 1 2 226.279 2.777 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CCC1 ZINC000660482459 411237087 /nfs/dbraw/zinc/23/70/87/411237087.db2.gz DXRYZUWMYBQEAD-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CCC1 ZINC000660482459 411237090 /nfs/dbraw/zinc/23/70/90/411237090.db2.gz DXRYZUWMYBQEAD-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)[C@@H](O)Cc1ccccc1-c1[nH+]ccn1C ZINC000656371684 411238522 /nfs/dbraw/zinc/23/85/22/411238522.db2.gz OSCNUPABKAVTRG-AWEZNQCLSA-N 1 2 244.338 2.647 20 0 BFADLO CCN(Cc1ccc(N)[nH+]c1)c1ccccc1C ZINC000050793021 411264021 /nfs/dbraw/zinc/26/40/21/411264021.db2.gz WAOSFKILTZPMTA-UHFFFAOYSA-N 1 2 241.338 2.999 20 0 BFADLO C[C@H](N[C@@H]1CCCn2cc[nH+]c21)c1cscn1 ZINC000658153261 411268151 /nfs/dbraw/zinc/26/81/51/411268151.db2.gz SMGVTPJQYSVCFA-VHSXEESVSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc[nH+]cc1NCCC1CCOCC1 ZINC000653462524 411279616 /nfs/dbraw/zinc/27/96/16/411279616.db2.gz AXOUTKFUQUTLDC-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cn(C)cn1 ZINC000659822754 411305749 /nfs/dbraw/zinc/30/57/49/411305749.db2.gz OPQOYFIGICWMCJ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)cn1 ZINC000659822754 411305750 /nfs/dbraw/zinc/30/57/50/411305750.db2.gz OPQOYFIGICWMCJ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO c1cc(C2CC2)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000656630500 411311486 /nfs/dbraw/zinc/31/14/86/411311486.db2.gz UXLNFEXJNQNZLZ-LSDHHAIUSA-N 1 2 229.323 2.537 20 0 BFADLO c1cc(C2CC2)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000656630500 411311489 /nfs/dbraw/zinc/31/14/89/411311489.db2.gz UXLNFEXJNQNZLZ-LSDHHAIUSA-N 1 2 229.323 2.537 20 0 BFADLO CCC(C)(CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000654011851 411313674 /nfs/dbraw/zinc/31/36/74/411313674.db2.gz VPTSIVUGFHEVOV-MNOVXSKESA-N 1 2 249.358 2.831 20 0 BFADLO Cc1ncncc1[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000655768968 411251527 /nfs/dbraw/zinc/25/15/27/411251527.db2.gz UDHFUOADPAYNMD-KOLCDFICSA-N 1 2 241.285 2.623 20 0 BFADLO CC1(CNc2cc(N3CCCC3)nc[nH+]2)CCC1 ZINC000302905788 168046800 /nfs/dbraw/zinc/04/68/00/168046800.db2.gz STJINAKZACMSTK-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CC1(CNc2cc(N3CCCC3)[nH+]cn2)CCC1 ZINC000302905788 168046804 /nfs/dbraw/zinc/04/68/04/168046804.db2.gz STJINAKZACMSTK-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CC(C)c1nc(N2Cc3cccnc3C2)cc[nH+]1 ZINC000644877554 411355719 /nfs/dbraw/zinc/35/57/19/411355719.db2.gz PLFCMRFEHHOHDU-UHFFFAOYSA-N 1 2 240.310 2.515 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccnn1CC1CC1 ZINC000656771411 411365072 /nfs/dbraw/zinc/36/50/72/411365072.db2.gz RWZDBFFLHWIPRZ-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CC=C(C)CC2)nn1C ZINC000334995624 168114524 /nfs/dbraw/zinc/11/45/24/168114524.db2.gz QYEPNTVMGIQBNW-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CC=C(C)CC2)nn1C ZINC000334995624 168114526 /nfs/dbraw/zinc/11/45/26/168114526.db2.gz QYEPNTVMGIQBNW-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO CC1=CC[N@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000336469387 168115554 /nfs/dbraw/zinc/11/55/54/168115554.db2.gz RWLDUGNUXPUFLU-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=CC[N@@H+](Cc2nc(C3CCCC3)no2)CC1 ZINC000336469387 168115555 /nfs/dbraw/zinc/11/55/55/168115555.db2.gz RWLDUGNUXPUFLU-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000336423288 168115582 /nfs/dbraw/zinc/11/55/82/168115582.db2.gz DYUGSTHYZSUQNX-UHFFFAOYSA-N 1 2 245.248 2.581 20 0 BFADLO CC1=CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000336423288 168115583 /nfs/dbraw/zinc/11/55/83/168115583.db2.gz DYUGSTHYZSUQNX-UHFFFAOYSA-N 1 2 245.248 2.581 20 0 BFADLO CC1=CC[N@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000270111240 168116064 /nfs/dbraw/zinc/11/60/64/168116064.db2.gz DCIZRMHNCUPQPX-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC1=CC[N@@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000270111240 168116066 /nfs/dbraw/zinc/11/60/66/168116066.db2.gz DCIZRMHNCUPQPX-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC1=CC[N@H+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000270137515 168117675 /nfs/dbraw/zinc/11/76/75/168117675.db2.gz HWTIGQXNFNKAAJ-NSHDSACASA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000270137515 168117677 /nfs/dbraw/zinc/11/76/77/168117677.db2.gz HWTIGQXNFNKAAJ-NSHDSACASA-N 1 2 235.331 2.906 20 0 BFADLO CCC(=CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)CC ZINC000367612768 168192409 /nfs/dbraw/zinc/19/24/09/168192409.db2.gz RHZAXOQQSPWUIT-GFCCVEGCSA-N 1 2 247.342 2.820 20 0 BFADLO CCC(=CC(=O)Nc1ccc[nH+]c1N(C)C)CC ZINC000177659224 168195193 /nfs/dbraw/zinc/19/51/93/168195193.db2.gz MOTMFLNZADXUGP-UHFFFAOYSA-N 1 2 247.342 2.833 20 0 BFADLO C=C/C(C)=C\CC(=O)NCc1c[nH+]c(C)cc1C ZINC000654380160 411383097 /nfs/dbraw/zinc/38/30/97/411383097.db2.gz TURHQRJSZLTJGA-WDZFZDKYSA-N 1 2 244.338 2.837 20 0 BFADLO CCC(=O)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278509 168258038 /nfs/dbraw/zinc/25/80/38/168258038.db2.gz MXFMEJOEEURPFR-UHFFFAOYSA-N 1 2 244.294 2.592 20 0 BFADLO Cc1c[nH+]c(C)c(NC[C@@H]2CCSC2)c1 ZINC000404716016 411406117 /nfs/dbraw/zinc/40/61/17/411406117.db2.gz SXKIKSFOGCHDKF-NSHDSACASA-N 1 2 222.357 2.863 20 0 BFADLO Fc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000655738637 411444123 /nfs/dbraw/zinc/44/41/23/411444123.db2.gz NTIOEDSRRDAFLX-GFCCVEGCSA-N 1 2 231.274 2.969 20 0 BFADLO Cc1nc(C[N@H+](Cc2ccccn2)C(C)C)co1 ZINC000659848869 411476053 /nfs/dbraw/zinc/47/60/53/411476053.db2.gz MTFXWNGMFIWICJ-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1nc(C[N@@H+](Cc2ccccn2)C(C)C)co1 ZINC000659848869 411476055 /nfs/dbraw/zinc/47/60/55/411476055.db2.gz MTFXWNGMFIWICJ-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO CO[C@H](C[N@H+](C)CC(F)F)C1CCCCC1 ZINC000659879344 411488569 /nfs/dbraw/zinc/48/85/69/411488569.db2.gz SWWIXUPJHRQJGI-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CO[C@H](C[N@@H+](C)CC(F)F)C1CCCCC1 ZINC000659879344 411488570 /nfs/dbraw/zinc/48/85/70/411488570.db2.gz SWWIXUPJHRQJGI-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2ccc(SC)c[nH+]2)CO1 ZINC000657401893 411496211 /nfs/dbraw/zinc/49/62/11/411496211.db2.gz HNJWPNQSGRUYRC-NXEZZACHSA-N 1 2 238.356 2.783 20 0 BFADLO CC[C@H]1C[C@@H](Nc2ccc(SC)c[nH+]2)CO1 ZINC000657401897 411496746 /nfs/dbraw/zinc/49/67/46/411496746.db2.gz HNJWPNQSGRUYRC-ZJUUUORDSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1c[nH]c(CNc2cc(C)ccc2F)[nH+]1 ZINC000657422649 411502778 /nfs/dbraw/zinc/50/27/78/411502778.db2.gz XTPPLYGESVZXMG-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cc1nc(C[N@H+]2Cc3ccccc3C[C@@H]2C)co1 ZINC000659954259 411511055 /nfs/dbraw/zinc/51/10/55/411511055.db2.gz DPKLWUSOIIMOMI-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO Cc1nc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)co1 ZINC000659954259 411511057 /nfs/dbraw/zinc/51/10/57/411511057.db2.gz DPKLWUSOIIMOMI-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)on1 ZINC000659985544 411520134 /nfs/dbraw/zinc/52/01/34/411520134.db2.gz MAFFTJNDQNVCOW-CYBMUJFWSA-N 1 2 244.294 2.630 20 0 BFADLO COc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)on1 ZINC000659985544 411520136 /nfs/dbraw/zinc/52/01/36/411520136.db2.gz MAFFTJNDQNVCOW-CYBMUJFWSA-N 1 2 244.294 2.630 20 0 BFADLO COc1c(C)cccc1C[NH2+]Cc1cscn1 ZINC000655832185 411529161 /nfs/dbraw/zinc/52/91/61/411529161.db2.gz RSTTZEZXKUFBOT-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1OC ZINC000657485555 411530284 /nfs/dbraw/zinc/53/02/84/411530284.db2.gz KWJJPQUMYHQXNC-UHFFFAOYSA-N 1 2 245.326 2.901 20 0 BFADLO CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185620058 170006100 /nfs/dbraw/zinc/00/61/00/170006100.db2.gz CBUFQHNYJOGSNS-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185620058 170006102 /nfs/dbraw/zinc/00/61/02/170006102.db2.gz CBUFQHNYJOGSNS-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000077005830 170040451 /nfs/dbraw/zinc/04/04/51/170040451.db2.gz OJGYWIMZVGLHQJ-UHFFFAOYSA-N 1 2 226.117 2.785 20 0 BFADLO CC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000077005830 170040452 /nfs/dbraw/zinc/04/04/52/170040452.db2.gz OJGYWIMZVGLHQJ-UHFFFAOYSA-N 1 2 226.117 2.785 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)c(C)o1 ZINC000660192031 411552703 /nfs/dbraw/zinc/55/27/03/411552703.db2.gz PRCARDYEAZBCDL-VIFPVBQESA-N 1 2 246.310 2.848 20 0 BFADLO FC1(F)CC[N@H+](CCCC2CCC2)C1 ZINC000660213454 411554424 /nfs/dbraw/zinc/55/44/24/411554424.db2.gz DUZRAHQOCKWBPE-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO FC1(F)CC[N@@H+](CCCC2CCC2)C1 ZINC000660213454 411554426 /nfs/dbraw/zinc/55/44/26/411554426.db2.gz DUZRAHQOCKWBPE-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CCNc1cc(COC)[nH+]c2ccc(F)cc12 ZINC000051698557 170172460 /nfs/dbraw/zinc/17/24/60/170172460.db2.gz MEXHLMYOXIFQCY-UHFFFAOYSA-N 1 2 234.274 2.952 20 0 BFADLO CCNc1cc(CC)[nH+]c(-c2ccncc2)n1 ZINC000050851152 170172537 /nfs/dbraw/zinc/17/25/37/170172537.db2.gz QEFAGVNCAWMSFS-UHFFFAOYSA-N 1 2 228.299 2.533 20 0 BFADLO CCNc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000127953553 170172695 /nfs/dbraw/zinc/17/26/95/170172695.db2.gz NVRUHWKTQPNWFQ-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000340636748 170215675 /nfs/dbraw/zinc/21/56/75/170215675.db2.gz XCYIRANXYXXRLW-ZDUSSCGKSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000340636748 170215677 /nfs/dbraw/zinc/21/56/77/170215677.db2.gz XCYIRANXYXXRLW-ZDUSSCGKSA-N 1 2 249.354 2.859 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cnccc2C)c(C)o1 ZINC000660243739 411558514 /nfs/dbraw/zinc/55/85/14/411558514.db2.gz ZCCCEUKSNRYRQY-JTQLQIEISA-N 1 2 245.326 2.846 20 0 BFADLO CCOC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000038067602 170252117 /nfs/dbraw/zinc/25/21/17/170252117.db2.gz CDURRMKSEUKQKS-TZMCWYRMSA-N 1 2 249.354 2.549 20 0 BFADLO CCOC(=O)[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000176694645 170255579 /nfs/dbraw/zinc/25/55/79/170255579.db2.gz YXSDWFGITVUQKP-RISCZKNCSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000049371548 170268127 /nfs/dbraw/zinc/26/81/27/170268127.db2.gz LJRWQFGBBJFETQ-ZDUSSCGKSA-N 1 2 249.354 2.653 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)co1 ZINC000660266421 411562148 /nfs/dbraw/zinc/56/21/48/411562148.db2.gz BUNYXDXAFVTUIT-JTQLQIEISA-N 1 2 248.330 2.611 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000037853301 170277615 /nfs/dbraw/zinc/27/76/15/170277615.db2.gz CXGHPAILSRMISA-CQSZACIVSA-N 1 2 247.338 2.823 20 0 BFADLO CCOC1(C(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000284337940 170318287 /nfs/dbraw/zinc/31/82/87/170318287.db2.gz XFZJWLAEGFOGIA-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO CCOC1C[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000297553654 170337290 /nfs/dbraw/zinc/33/72/90/170337290.db2.gz ZTIDJXQLTOVZCX-ZWNOBZJWSA-N 1 2 235.327 2.624 20 0 BFADLO CCOCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121312 170382963 /nfs/dbraw/zinc/38/29/63/170382963.db2.gz HOZMRPFJSNECNW-UHFFFAOYSA-N 1 2 237.347 2.747 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)co1 ZINC000660444314 411585534 /nfs/dbraw/zinc/58/55/34/411585534.db2.gz BUZRUPYLDJFBFV-XCBNKYQSSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)co1 ZINC000660444314 411585535 /nfs/dbraw/zinc/58/55/35/411585535.db2.gz BUZRUPYLDJFBFV-XCBNKYQSSA-N 1 2 248.248 2.756 20 0 BFADLO CC1(C)CCCC[C@H]1C[N@H+](CCO)CC(F)F ZINC000660451945 411586798 /nfs/dbraw/zinc/58/67/98/411586798.db2.gz MIWPCHRUCJSENI-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)CCCC[C@H]1C[N@@H+](CCO)CC(F)F ZINC000660451945 411586799 /nfs/dbraw/zinc/58/67/99/411586799.db2.gz MIWPCHRUCJSENI-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO Cn1ccc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000661507744 411792257 /nfs/dbraw/zinc/79/22/57/411792257.db2.gz BJKLBUKEYCYPLZ-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1ccc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)n1 ZINC000661507744 411792260 /nfs/dbraw/zinc/79/22/60/411792260.db2.gz BJKLBUKEYCYPLZ-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO O[C@@H]1CC[N@H+](CCC2CCCCC2)CC1(F)F ZINC000661410909 411770740 /nfs/dbraw/zinc/77/07/40/411770740.db2.gz WEEQULAHRKKQCE-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1CC[N@@H+](CCC2CCCCC2)CC1(F)F ZINC000661410909 411770741 /nfs/dbraw/zinc/77/07/41/411770741.db2.gz WEEQULAHRKKQCE-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2cscn2)nc1 ZINC000661413864 411770812 /nfs/dbraw/zinc/77/08/12/411770812.db2.gz HYLUWIFZPVTPCL-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2cccc(C)c2)o1 ZINC000661529875 411796827 /nfs/dbraw/zinc/79/68/27/411796827.db2.gz CJNXVGMSUXAPCM-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2cccc(C)c2)o1 ZINC000661529875 411796830 /nfs/dbraw/zinc/79/68/30/411796830.db2.gz CJNXVGMSUXAPCM-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CCC(C)(C)CCn1ncc2c1nc[nH+]c2NC ZINC000664000341 411809520 /nfs/dbraw/zinc/80/95/20/411809520.db2.gz SLTAWRYSIVSCDB-UHFFFAOYSA-N 1 2 247.346 2.694 20 0 BFADLO CCc1cc(CCCOc2cc[nH+]cc2)on1 ZINC000664015597 411814552 /nfs/dbraw/zinc/81/45/52/411814552.db2.gz IHRNGJKKSCCDFH-UHFFFAOYSA-N 1 2 232.283 2.644 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769499 170710204 /nfs/dbraw/zinc/71/02/04/170710204.db2.gz IGQQVDFGYCFYRI-LLVKDONJSA-N 1 2 230.315 2.725 20 0 BFADLO Cc1[nH+]c2cc(OCCOC(C)C)ccc2n1C ZINC000664047004 411827000 /nfs/dbraw/zinc/82/70/00/411827000.db2.gz UNBNPIQXNMHRCA-UHFFFAOYSA-N 1 2 248.326 2.686 20 0 BFADLO CCC(C)(C)[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000664206520 411887978 /nfs/dbraw/zinc/88/79/78/411887978.db2.gz SGOQXXKRQJVNFP-SECBINFHSA-N 1 2 247.346 2.600 20 0 BFADLO CCc1cc(N[C@@H](CC)COCC2CC2)nc[nH+]1 ZINC000664171242 411877719 /nfs/dbraw/zinc/87/77/19/411877719.db2.gz BREDWMQHQTZIOY-ZDUSSCGKSA-N 1 2 249.358 2.656 20 0 BFADLO c1ccc(N2CCC[C@H]([C@@H]3CCCCO3)C2)[nH+]c1 ZINC000664482230 411970602 /nfs/dbraw/zinc/97/06/02/411970602.db2.gz HWKLHBODBJPHSN-KBPBESRZSA-N 1 2 246.354 2.867 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@H]2C[C@@H]2C1 ZINC000664525847 411977788 /nfs/dbraw/zinc/97/77/88/411977788.db2.gz SHRUSRSAXBJHDH-GHMZBOCLSA-N 1 2 239.322 2.663 20 0 BFADLO C1=C(CNc2cc(NC3CC3)[nH+]cn2)CCC1 ZINC000664543645 411981971 /nfs/dbraw/zinc/98/19/71/411981971.db2.gz PAVFJUMRWCWJSF-UHFFFAOYSA-N 1 2 230.315 2.573 20 0 BFADLO C1=C(CNc2cc(NC3CC3)nc[nH+]2)CCC1 ZINC000664543645 411981974 /nfs/dbraw/zinc/98/19/74/411981974.db2.gz PAVFJUMRWCWJSF-UHFFFAOYSA-N 1 2 230.315 2.573 20 0 BFADLO CC(C)[C@@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000664546753 411983740 /nfs/dbraw/zinc/98/37/40/411983740.db2.gz RIXBHLVXKKZJNV-OAHLLOKOSA-N 1 2 241.338 2.898 20 0 BFADLO c1coc(CCCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000664583286 411991031 /nfs/dbraw/zinc/99/10/31/411991031.db2.gz BOFDMOKNTHJEGS-UHFFFAOYSA-N 1 2 243.310 2.992 20 0 BFADLO CO[C@H](CNc1cc(C)[nH+]cn1)C1CCCCC1 ZINC000664587404 411992976 /nfs/dbraw/zinc/99/29/76/411992976.db2.gz SMSYSYBHSIPWSE-CYBMUJFWSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(N(CCC2CC2)CC2CC2)nc[nH+]1 ZINC000664615876 411999933 /nfs/dbraw/zinc/99/99/33/411999933.db2.gz QIVDYZLUPUDFKD-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO COc1cccc(CNc2cc(C)[nH+]cn2)c1C ZINC000664629971 412001455 /nfs/dbraw/zinc/00/14/55/412001455.db2.gz ZOFWCBTXIUWLMS-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC12CC(C1)CN2c1cc[nH+]c2ccncc21 ZINC000664693649 412011028 /nfs/dbraw/zinc/01/10/28/412011028.db2.gz NBNSJNHYQHEGIU-UHFFFAOYSA-N 1 2 225.295 2.619 20 0 BFADLO c1cc(C2CC[NH+](Cc3cscn3)CC2)no1 ZINC000662043921 411960345 /nfs/dbraw/zinc/96/03/45/411960345.db2.gz NTJAKDPTXLUJEJ-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861587 412034886 /nfs/dbraw/zinc/03/48/86/412034886.db2.gz URVFCXGRZNHJRC-QWHCGFSZSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@H]1CCCC[C@@H]1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861587 412034889 /nfs/dbraw/zinc/03/48/89/412034889.db2.gz URVFCXGRZNHJRC-QWHCGFSZSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862145 412035223 /nfs/dbraw/zinc/03/52/23/412035223.db2.gz LKGOTPSRFACUBE-OLZOCXBDSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862145 412035227 /nfs/dbraw/zinc/03/52/27/412035227.db2.gz LKGOTPSRFACUBE-OLZOCXBDSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862146 412035237 /nfs/dbraw/zinc/03/52/37/412035237.db2.gz LKGOTPSRFACUBE-QWHCGFSZSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862146 412035242 /nfs/dbraw/zinc/03/52/42/412035242.db2.gz LKGOTPSRFACUBE-QWHCGFSZSA-N 1 2 247.386 2.984 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(CC2CCC2)no1 ZINC000664877593 412035758 /nfs/dbraw/zinc/03/57/58/412035758.db2.gz NMWPWSQBWGQFEM-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C2(C)CCC2)n1 ZINC000664979572 412055173 /nfs/dbraw/zinc/05/51/73/412055173.db2.gz CIXCQPVKGSJWPI-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C2CC=CC2)n1 ZINC000664982675 412055240 /nfs/dbraw/zinc/05/52/40/412055240.db2.gz WWFMOBLKKJWWFB-UHFFFAOYSA-N 1 2 241.294 2.797 20 0 BFADLO CC[C@@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980910 412055471 /nfs/dbraw/zinc/05/54/71/412055471.db2.gz QYMBZDMDOSCCKU-SECBINFHSA-N 1 2 231.299 2.877 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@H](C)C2CC2)n1 ZINC000664981037 412055697 /nfs/dbraw/zinc/05/56/97/412055697.db2.gz UWAMUHJMFHLEHF-SNVBAGLBSA-N 1 2 243.310 2.877 20 0 BFADLO C/C=C(/C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664985608 412056622 /nfs/dbraw/zinc/05/66/22/412056622.db2.gz TWPKBAXAABBOEC-WTKPLQERSA-N 1 2 229.283 2.787 20 0 BFADLO CC[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301822526 171013792 /nfs/dbraw/zinc/01/37/92/171013792.db2.gz KQIRASVHBAJYHD-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301822526 171013796 /nfs/dbraw/zinc/01/37/96/171013796.db2.gz KQIRASVHBAJYHD-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000270608273 171098258 /nfs/dbraw/zinc/09/82/58/171098258.db2.gz XLIOEDUGPSWRPS-SNVBAGLBSA-N 1 2 247.367 2.895 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(F)cc1F ZINC000120625257 171107202 /nfs/dbraw/zinc/10/72/02/171107202.db2.gz WZXDQVROZHNPKW-GFCCVEGCSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(F)cc1F ZINC000120625257 171107203 /nfs/dbraw/zinc/10/72/03/171107203.db2.gz WZXDQVROZHNPKW-GFCCVEGCSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C(F)(F)F)CCO1 ZINC000309717428 171129921 /nfs/dbraw/zinc/12/99/21/171129921.db2.gz ULUXLBSAXIWJPF-IVZWLZJFSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@@](C)([NH2+]Cc1cc(C)ccc1C)C(=O)OC ZINC000352866921 171175708 /nfs/dbraw/zinc/17/57/08/171175708.db2.gz HRWOTNAHKSTPRW-OAHLLOKOSA-N 1 2 249.354 2.735 20 0 BFADLO CC[C@@]1(C)C[N@@H+]([C@H](C)c2ncc(C)o2)CCO1 ZINC000336497373 171205260 /nfs/dbraw/zinc/20/52/60/171205260.db2.gz IHRUYOFZLISYJX-YPMHNXCESA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@@]1(C)C[N@H+]([C@H](C)c2ncc(C)o2)CCO1 ZINC000336497373 171205261 /nfs/dbraw/zinc/20/52/61/171205261.db2.gz IHRUYOFZLISYJX-YPMHNXCESA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@H](C)CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000179874563 171269932 /nfs/dbraw/zinc/26/99/32/171269932.db2.gz JWBZTXLKOXKVMX-JTQLQIEISA-N 1 2 235.331 2.900 20 0 BFADLO CC[C@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000088298861 171295115 /nfs/dbraw/zinc/29/51/15/171295115.db2.gz JAELUOKCZIIVMS-VHSXEESVSA-N 1 2 247.346 2.600 20 0 BFADLO CC[C@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336671470 171310166 /nfs/dbraw/zinc/31/01/66/171310166.db2.gz JTNYGVOORJFFMX-VIFPVBQESA-N 1 2 225.336 2.597 20 0 BFADLO CC[C@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336671470 171310168 /nfs/dbraw/zinc/31/01/68/171310168.db2.gz JTNYGVOORJFFMX-VIFPVBQESA-N 1 2 225.336 2.597 20 0 BFADLO CC[C@H](C)Nc1cc(N[C@@H](C)CC)[nH+]cn1 ZINC000243832515 171349327 /nfs/dbraw/zinc/34/93/27/171349327.db2.gz QZOOXFJSQBYHDK-UWVGGRQHSA-N 1 2 222.336 2.897 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294602333 171360675 /nfs/dbraw/zinc/36/06/75/171360675.db2.gz ZZBDEQXKFFSRHW-WDEREUQCSA-N 1 2 245.326 2.955 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000183602175 171360883 /nfs/dbraw/zinc/36/08/83/171360883.db2.gz VRANFJKGFKJXQS-VHSXEESVSA-N 1 2 236.315 2.711 20 0 BFADLO CC[C@H](C)[C@@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000035044800 171374383 /nfs/dbraw/zinc/37/43/83/171374383.db2.gz NLPTUOLWDKDLOQ-GXTWGEPZSA-N 1 2 249.354 2.672 20 0 BFADLO CC[C@H](C)[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000035019313 171374987 /nfs/dbraw/zinc/37/49/87/171374987.db2.gz SPBCGSXCENYDTF-SGMGOOAPSA-N 1 2 249.354 2.925 20 0 BFADLO CC[C@H](COC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000272956703 171463292 /nfs/dbraw/zinc/46/32/92/171463292.db2.gz ZJBNAYHIUFAKKK-LLVKDONJSA-N 1 2 249.358 2.501 20 0 BFADLO c1cn(Cc2nc(C3CCC3)cs2)c[nH+]1 ZINC000663218662 412394334 /nfs/dbraw/zinc/39/43/34/412394334.db2.gz BZAKVIQNRABMSP-UHFFFAOYSA-N 1 2 219.313 2.655 20 0 BFADLO CC(C)Cc1csc(Cn2cc[nH+]c2)n1 ZINC000663220615 412394859 /nfs/dbraw/zinc/39/48/59/412394859.db2.gz RXDMKZFKGCRPET-UHFFFAOYSA-N 1 2 221.329 2.586 20 0 BFADLO COc1cc(CCO)ccc1[NH2+]CC1CC=CC1 ZINC000663283270 412410237 /nfs/dbraw/zinc/41/02/37/412410237.db2.gz CJKWRKOVRRASGL-UHFFFAOYSA-N 1 2 247.338 2.608 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1CC=CC1 ZINC000265818295 171923771 /nfs/dbraw/zinc/92/37/71/171923771.db2.gz BLYJNGNOMOWGGX-UHFFFAOYSA-N 1 2 216.284 2.549 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@@H+]2CC2CC2)no1 ZINC000370565656 172003581 /nfs/dbraw/zinc/00/35/81/172003581.db2.gz MQEFPLXTOAHSGK-NSHDSACASA-N 1 2 235.331 2.569 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@H+]2CC2CC2)no1 ZINC000370565656 172003583 /nfs/dbraw/zinc/00/35/83/172003583.db2.gz MQEFPLXTOAHSGK-NSHDSACASA-N 1 2 235.331 2.569 20 0 BFADLO CCc1nn(C)c(CC)c1CNc1cccc[nH+]1 ZINC000301844026 172037274 /nfs/dbraw/zinc/03/72/74/172037274.db2.gz LJUFMFCYQVICSK-UHFFFAOYSA-N 1 2 244.342 2.552 20 0 BFADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccoc2C)o1 ZINC000111684980 172066459 /nfs/dbraw/zinc/06/64/59/172066459.db2.gz YQHSUMOLIKTMMA-VIFPVBQESA-N 1 2 249.314 2.726 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccoc2C)o1 ZINC000111684980 172066462 /nfs/dbraw/zinc/06/64/62/172066462.db2.gz YQHSUMOLIKTMMA-VIFPVBQESA-N 1 2 249.314 2.726 20 0 BFADLO CCc1noc(C)c1C[N@H+](C)Cc1ccoc1 ZINC000336710535 172075086 /nfs/dbraw/zinc/07/50/86/172075086.db2.gz QOUPTLIMSRVTAJ-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000336710535 172075088 /nfs/dbraw/zinc/07/50/88/172075088.db2.gz QOUPTLIMSRVTAJ-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cccnc1C ZINC000339606456 172094275 /nfs/dbraw/zinc/09/42/75/172094275.db2.gz HTRWEVJZKFTHRU-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cccnc1C ZINC000339606456 172094278 /nfs/dbraw/zinc/09/42/78/172094278.db2.gz HTRWEVJZKFTHRU-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccc(C)nc1 ZINC000354358066 172096282 /nfs/dbraw/zinc/09/62/82/172096282.db2.gz HURHCWKOIPUHQD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccc(C)nc1 ZINC000354358066 172096285 /nfs/dbraw/zinc/09/62/85/172096285.db2.gz HURHCWKOIPUHQD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[NH+]1Cc2ccccc2C1 ZINC000335280841 172098157 /nfs/dbraw/zinc/09/81/57/172098157.db2.gz UKPXDRRHFQYTDQ-UHFFFAOYSA-N 1 2 228.295 2.753 20 0 BFADLO CCn1cc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000014187343 172163541 /nfs/dbraw/zinc/16/35/41/172163541.db2.gz KCWZVASNRHGYHD-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1cc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000014187343 172163543 /nfs/dbraw/zinc/16/35/43/172163543.db2.gz KCWZVASNRHGYHD-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1cccc1CNc1c[nH+]ccc1C ZINC000085609643 172211367 /nfs/dbraw/zinc/21/13/67/172211367.db2.gz LLEWOIWXSQBYCU-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCn1ccnc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336723553 172220385 /nfs/dbraw/zinc/22/03/85/172220385.db2.gz ZNAOFEKHVHDUEM-CQSZACIVSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1ccnc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336723553 172220387 /nfs/dbraw/zinc/22/03/87/172220387.db2.gz ZNAOFEKHVHDUEM-CQSZACIVSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1cc[nH+]c1CN1CCCC[C@@H]1C(F)F ZINC000337538007 172220824 /nfs/dbraw/zinc/22/08/24/172220824.db2.gz ZFBXPLZAYXNFEK-SNVBAGLBSA-N 1 2 243.301 2.523 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(C)c(F)c1 ZINC000051920917 172225082 /nfs/dbraw/zinc/22/50/82/172225082.db2.gz LUSQYBOEILWDFJ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1cc[nH+]c1CNc1ccccc1F ZINC000051920890 172225395 /nfs/dbraw/zinc/22/53/95/172225395.db2.gz STALDOYDQXBECW-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CCn1cc[nH+]c1CNc1ccccc1C ZINC000051920952 172226464 /nfs/dbraw/zinc/22/64/64/172226464.db2.gz BRRITICBCPGDSB-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)C(C)C ZINC000281914053 172230923 /nfs/dbraw/zinc/23/09/23/172230923.db2.gz VBQJFUDWWKQHCO-GFCCVEGCSA-N 1 2 249.358 2.613 20 0 BFADLO CCn1cncc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000013568421 172233450 /nfs/dbraw/zinc/23/34/50/172233450.db2.gz PAALIWVABFKUPT-NSHDSACASA-N 1 2 233.315 2.689 20 0 BFADLO CCn1cncc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000013568421 172233451 /nfs/dbraw/zinc/23/34/51/172233451.db2.gz PAALIWVABFKUPT-NSHDSACASA-N 1 2 233.315 2.689 20 0 BFADLO CCn1nc(C)c(CNc2c[nH+]ccc2C)c1C ZINC000273706499 172247081 /nfs/dbraw/zinc/24/70/81/172247081.db2.gz OXLDJWXKLPXADF-UHFFFAOYSA-N 1 2 244.342 2.835 20 0 BFADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000276756190 172293901 /nfs/dbraw/zinc/29/39/01/172293901.db2.gz WPABBCMQBYZLCW-CMDGGOBGSA-N 1 2 247.342 2.604 20 0 BFADLO COC1(CNc2cc(C)[nH+]c(C3CC3)n2)CCC1 ZINC000180097064 174004665 /nfs/dbraw/zinc/00/46/65/174004665.db2.gz GUHOFORZOOBPDS-UHFFFAOYSA-N 1 2 247.342 2.643 20 0 BFADLO COC1(CNc2c[nH+]cc(C)c2)CCCC1 ZINC000336772337 174005871 /nfs/dbraw/zinc/00/58/71/174005871.db2.gz VEPIBTZUABQTHO-UHFFFAOYSA-N 1 2 220.316 2.761 20 0 BFADLO COC1(CNc2cccc[nH+]2)CCCCC1 ZINC000274680236 174006118 /nfs/dbraw/zinc/00/61/18/174006118.db2.gz HBHLFAAHDQPPKJ-UHFFFAOYSA-N 1 2 220.316 2.843 20 0 BFADLO COCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000177833022 174225480 /nfs/dbraw/zinc/22/54/80/174225480.db2.gz YFGGPDGHLFCBIZ-UHFFFAOYSA-N 1 2 243.297 2.790 20 0 BFADLO COCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000177833022 174225482 /nfs/dbraw/zinc/22/54/82/174225482.db2.gz YFGGPDGHLFCBIZ-UHFFFAOYSA-N 1 2 243.297 2.790 20 0 BFADLO COCCC[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309429744 174261903 /nfs/dbraw/zinc/26/19/03/174261903.db2.gz FZRLIJPHDDYWMD-SCZZXKLOSA-N 1 2 239.281 2.732 20 0 BFADLO COCCC[C@H](C)[NH2+]c1ccc(OC)cc1 ZINC000182677953 174264763 /nfs/dbraw/zinc/26/47/63/174264763.db2.gz AMJGFFJBBDMVID-NSHDSACASA-N 1 2 223.316 2.922 20 0 BFADLO COCC[N@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000154543619 174279995 /nfs/dbraw/zinc/27/99/95/174279995.db2.gz ZKLICXWLAYAAMB-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO COCC[N@@H+](C)Cc1nc(C(C)(C)C)cs1 ZINC000154543619 174279997 /nfs/dbraw/zinc/27/99/97/174279997.db2.gz ZKLICXWLAYAAMB-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO COCC[N@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000356744183 174284133 /nfs/dbraw/zinc/28/41/33/174284133.db2.gz WIYNUHVGEBIPIT-SNVBAGLBSA-N 1 2 240.347 2.611 20 0 BFADLO COCC[N@@H+](C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000356744183 174284134 /nfs/dbraw/zinc/28/41/34/174284134.db2.gz WIYNUHVGEBIPIT-SNVBAGLBSA-N 1 2 240.347 2.611 20 0 BFADLO COCC[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803557 174386174 /nfs/dbraw/zinc/38/61/74/174386174.db2.gz OBWYPOWTDJFTKA-MRVPVSSYSA-N 1 2 248.248 2.937 20 0 BFADLO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(F)(F)F ZINC000309986089 174396936 /nfs/dbraw/zinc/39/69/36/174396936.db2.gz YGPYCABTXISJJX-UTLUCORTSA-N 1 2 239.281 2.732 20 0 BFADLO COc1cc([C@@H](C)Nc2cccc[nH+]2)ccn1 ZINC000340903342 175014033 /nfs/dbraw/zinc/01/40/33/175014033.db2.gz SNTKUXQLMZTIJA-SNVBAGLBSA-N 1 2 229.283 2.658 20 0 BFADLO COc1ccc(F)cc1C[N@H+](C)Cc1ccc[nH]1 ZINC000361176445 175129075 /nfs/dbraw/zinc/12/90/75/175129075.db2.gz CUQURYUHZHBQJC-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO COc1ccc(F)cc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000361176445 175129077 /nfs/dbraw/zinc/12/90/77/175129077.db2.gz CUQURYUHZHBQJC-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO COc1ccc([NH2+]CC[C@@H]2CCCO2)cc1 ZINC000082409784 175150287 /nfs/dbraw/zinc/15/02/87/175150287.db2.gz QJUVZZRIKJOZQI-ZDUSSCGKSA-N 1 2 221.300 2.676 20 0 BFADLO COc1ccc([NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000087247953 175151125 /nfs/dbraw/zinc/15/11/25/175151125.db2.gz NZEPEEODFOAGOZ-LBPRGKRZSA-N 1 2 235.327 2.985 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000070361610 175154151 /nfs/dbraw/zinc/15/41/51/175154151.db2.gz MUEHWSUBBLZOGN-NWDGAFQWSA-N 1 2 235.327 2.983 20 0 BFADLO COc1ccc([NH2+][C@H]2CCSC2)c(OC)c1 ZINC000019903342 175155667 /nfs/dbraw/zinc/15/56/67/175155667.db2.gz APPRBPINCNIMNA-VIFPVBQESA-N 1 2 239.340 2.621 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC000223628213 175189752 /nfs/dbraw/zinc/18/97/52/175189752.db2.gz PDSRBDFLASWYST-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc2[nH+]c(C)nc(N[C@@H]3C[C@@H]3C)c2c1 ZINC000301949505 175227398 /nfs/dbraw/zinc/22/73/98/175227398.db2.gz IGVBRUATJPSRPT-ISVAXAHUSA-N 1 2 243.310 2.767 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2ncc(C)o2)c1 ZINC000223629755 175288022 /nfs/dbraw/zinc/28/80/22/175288022.db2.gz OLSTVSYJRQDTTH-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1C(C)(C)[NH2+]Cc1ccon1 ZINC000157894816 175320003 /nfs/dbraw/zinc/32/00/03/175320003.db2.gz RBVXDFNDGQGHNQ-UHFFFAOYSA-N 1 2 246.310 2.708 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1ncc(C)o1 ZINC000173489999 175326339 /nfs/dbraw/zinc/32/63/39/175326339.db2.gz OQEPCELEUPFGDT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1ncc(C)o1 ZINC000173489999 175326342 /nfs/dbraw/zinc/32/63/42/175326342.db2.gz OQEPCELEUPFGDT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1n[nH]cc1C ZINC000290077346 175344691 /nfs/dbraw/zinc/34/46/91/175344691.db2.gz YSIKIXIBMGONRE-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO COc1cc[nH+]cc1CSc1nc(C)co1 ZINC000286592826 175372752 /nfs/dbraw/zinc/37/27/52/175372752.db2.gz SEDODVCNMGYKLG-UHFFFAOYSA-N 1 2 236.296 2.679 20 0 BFADLO COc1cc[nH+]cc1COC(=O)CC(C)(C)C ZINC000288407406 175373635 /nfs/dbraw/zinc/37/36/35/175373635.db2.gz BAEMDIISWGHODI-UHFFFAOYSA-N 1 2 237.299 2.570 20 0 BFADLO COc1cc[nH+]cc1COc1ccc(C)cc1 ZINC000310399576 175373847 /nfs/dbraw/zinc/37/38/47/175373847.db2.gz UCOSGHOXDUSTDJ-UHFFFAOYSA-N 1 2 229.279 2.978 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000336238163 175374509 /nfs/dbraw/zinc/37/45/09/175374509.db2.gz ZFOUWPPNBQYPAH-HZMBPMFUSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000126581381 175375663 /nfs/dbraw/zinc/37/56/63/175375663.db2.gz ONSKIUZPRMHZAH-WDEREUQCSA-N 1 2 248.326 2.855 20 0 BFADLO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccon1 ZINC000309614167 175903220 /nfs/dbraw/zinc/90/32/20/175903220.db2.gz NJLFJVYJZOZPTA-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CC1 ZINC000308642688 175910010 /nfs/dbraw/zinc/91/00/10/175910010.db2.gz FPMIAALUJQYTFY-MUWHJKNJSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1csnn1 ZINC000179702038 176020482 /nfs/dbraw/zinc/02/04/82/176020482.db2.gz FVRCQMWKWZHAAQ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1csnn1 ZINC000179702038 176020483 /nfs/dbraw/zinc/02/04/83/176020483.db2.gz FVRCQMWKWZHAAQ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000051160560 176025338 /nfs/dbraw/zinc/02/53/38/176025338.db2.gz NVGAAXDDHBGDSZ-MNOVXSKESA-N 1 2 223.291 2.607 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCO[C@H](C)C1 ZINC000051160560 176025340 /nfs/dbraw/zinc/02/53/40/176025340.db2.gz NVGAAXDDHBGDSZ-MNOVXSKESA-N 1 2 223.291 2.607 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1nccs1 ZINC000175083067 176029200 /nfs/dbraw/zinc/02/92/00/176029200.db2.gz SCESWTYINQOXEU-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nccs1 ZINC000175083067 176029202 /nfs/dbraw/zinc/02/92/02/176029202.db2.gz SCESWTYINQOXEU-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H]1CCCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000334143891 176063266 /nfs/dbraw/zinc/06/32/66/176063266.db2.gz VWOYSQFITVCKQA-SNVBAGLBSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@@H]1CCCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000334143891 176063267 /nfs/dbraw/zinc/06/32/67/176063267.db2.gz VWOYSQFITVCKQA-SNVBAGLBSA-N 1 2 235.331 2.712 20 0 BFADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ncc(Cl)n1C ZINC000264561106 176116530 /nfs/dbraw/zinc/11/65/30/176116530.db2.gz OLTPLKGCCLKHKI-NXEZZACHSA-N 1 2 241.766 2.836 20 0 BFADLO C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000237607011 176136190 /nfs/dbraw/zinc/13/61/90/176136190.db2.gz FJJVONUZIFNVBT-MNOVXSKESA-N 1 2 247.342 2.819 20 0 BFADLO C[C@@H]1CCC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000359929015 176147526 /nfs/dbraw/zinc/14/75/26/176147526.db2.gz CGIJTDFBBVZEMH-NEPJUHHUSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@@H]1CCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000359931211 176147643 /nfs/dbraw/zinc/14/76/43/176147643.db2.gz IZODPXYQEXZXLK-PWSUYJOCSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@@H]1CC[N@H+](CCCCF)CC1(F)F ZINC000352403234 176168239 /nfs/dbraw/zinc/16/82/39/176168239.db2.gz STXAMSOPMMFHGN-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO C[C@@H]1CC[N@@H+](CCCCF)CC1(F)F ZINC000352403234 176168240 /nfs/dbraw/zinc/16/82/40/176168240.db2.gz STXAMSOPMMFHGN-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000337007363 176182315 /nfs/dbraw/zinc/18/23/15/176182315.db2.gz CHJQBKJPTXRRMC-SECBINFHSA-N 1 2 233.290 2.559 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000276843177 176182834 /nfs/dbraw/zinc/18/28/34/176182834.db2.gz CPXUGCHXPAKFNM-SNVBAGLBSA-N 1 2 247.367 2.895 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2C(F)F)O1 ZINC000337411147 176203131 /nfs/dbraw/zinc/20/31/31/176203131.db2.gz OXMMRZSBDALBJA-VWYCJHECSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@H]2C(F)F)O1 ZINC000337411147 176203132 /nfs/dbraw/zinc/20/31/32/176203132.db2.gz OXMMRZSBDALBJA-VWYCJHECSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@H]1CC[C@H](Nc2nc[nH+]c(N)c2Cl)CC1 ZINC000300333177 176214990 /nfs/dbraw/zinc/21/49/90/176214990.db2.gz HNJUEHIJKVRMDC-ZKCHVHJHSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CC[C@H](Nc2[nH+]cnc(N)c2Cl)CC1 ZINC000300333177 176214991 /nfs/dbraw/zinc/21/49/91/176214991.db2.gz HNJUEHIJKVRMDC-ZKCHVHJHSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1C[N@H+](CCSc2cccs2)CCO1 ZINC000188298452 176292242 /nfs/dbraw/zinc/29/22/42/176292242.db2.gz KOXKAZNFFLQMTM-SNVBAGLBSA-N 1 2 243.397 2.561 20 0 BFADLO C[C@@H]1C[N@@H+](CCSc2cccs2)CCO1 ZINC000188298452 176292244 /nfs/dbraw/zinc/29/22/44/176292244.db2.gz KOXKAZNFFLQMTM-SNVBAGLBSA-N 1 2 243.397 2.561 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2F)[C@H](C)CO1 ZINC000084860713 176303951 /nfs/dbraw/zinc/30/39/51/176303951.db2.gz MDKIKCHIYLJUAO-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2F)[C@H](C)CO1 ZINC000084860713 176303954 /nfs/dbraw/zinc/30/39/54/176303954.db2.gz MDKIKCHIYLJUAO-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000179864946 176304431 /nfs/dbraw/zinc/30/44/31/176304431.db2.gz MNVMUFSYDQLLSX-NQBHXWOUSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000179864946 176304434 /nfs/dbraw/zinc/30/44/34/176304434.db2.gz MNVMUFSYDQLLSX-NQBHXWOUSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)C[C@H]1C ZINC000267961159 176319808 /nfs/dbraw/zinc/31/98/08/176319808.db2.gz LCEDETCNWLNNNK-GHMZBOCLSA-N 1 2 227.311 2.722 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(C)(C)O1 ZINC000134906048 176320892 /nfs/dbraw/zinc/32/08/92/176320892.db2.gz XDKKNTBQRINKIJ-SNVBAGLBSA-N 1 2 245.326 2.567 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000085697073 176350961 /nfs/dbraw/zinc/35/09/61/176350961.db2.gz RGWUZXYTMUIKAL-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1cccc(Cl)n1 ZINC000085697073 176350962 /nfs/dbraw/zinc/35/09/62/176350962.db2.gz RGWUZXYTMUIKAL-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCCN1c1[nH+]c2ccccc2n1C ZINC000179299591 176351824 /nfs/dbraw/zinc/35/18/24/176351824.db2.gz OINQTXDXSVDXII-SNVBAGLBSA-N 1 2 247.367 2.515 20 0 BFADLO C[C@@H]1CSC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309824829 176354629 /nfs/dbraw/zinc/35/46/29/176354629.db2.gz XDEBOIHVTHMCPR-SCZZXKLOSA-N 1 2 235.356 2.517 20 0 BFADLO C[C@@H]1C[C@@H]1CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000353776040 176388201 /nfs/dbraw/zinc/38/82/01/176388201.db2.gz UYPSPSZPWYFTKT-IJLUTSLNSA-N 1 2 247.342 2.509 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2ccco2)nc1 ZINC000674859164 487636289 /nfs/dbraw/zinc/63/62/89/487636289.db2.gz IBBYAKRNCGNYBH-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2ccco2)nc1 ZINC000674859164 487636292 /nfs/dbraw/zinc/63/62/92/487636292.db2.gz IBBYAKRNCGNYBH-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO C[C@H](O)C[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000340778760 177001268 /nfs/dbraw/zinc/00/12/68/177001268.db2.gz LWJOGQKHFYDDPP-UWVGGRQHSA-N 1 2 248.301 2.945 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125776654 177041881 /nfs/dbraw/zinc/04/18/81/177041881.db2.gz VYICGMHVBQMMBP-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCc2n[nH]cc2C1 ZINC000125776654 177041882 /nfs/dbraw/zinc/04/18/82/177041882.db2.gz VYICGMHVBQMMBP-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1ccncc1)[N@H+](C)Cc1nccs1 ZINC000175057836 177049797 /nfs/dbraw/zinc/04/97/97/177049797.db2.gz WVDFLYDVOYYYJZ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1nccs1 ZINC000175057836 177049798 /nfs/dbraw/zinc/04/97/98/177049798.db2.gz WVDFLYDVOYYYJZ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H]1CCCC[C@H]1CNc1ccc(CO)c[nH+]1 ZINC000340576439 177085786 /nfs/dbraw/zinc/08/57/86/177085786.db2.gz HVKCHRVKXWXYEX-AAEUAGOBSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c[nH]cn2)[C@H](c2ccco2)C1 ZINC000093811898 177162880 /nfs/dbraw/zinc/16/28/80/177162880.db2.gz LEGSZSCBWDNKPK-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c[nH]cn2)[C@H](c2ccco2)C1 ZINC000093811898 177162881 /nfs/dbraw/zinc/16/28/81/177162881.db2.gz LEGSZSCBWDNKPK-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc[nH]2)[C@H](c2ccco2)C1 ZINC000093811898 177162883 /nfs/dbraw/zinc/16/28/83/177162883.db2.gz LEGSZSCBWDNKPK-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc[nH]2)[C@H](c2ccco2)C1 ZINC000093811898 177162884 /nfs/dbraw/zinc/16/28/84/177162884.db2.gz LEGSZSCBWDNKPK-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c[nH]cn2)[C@@H](c2ccco2)C1 ZINC000245737485 177164222 /nfs/dbraw/zinc/16/42/22/177164222.db2.gz LEGSZSCBWDNKPK-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c[nH]cn2)[C@@H](c2ccco2)C1 ZINC000245737485 177164223 /nfs/dbraw/zinc/16/42/23/177164223.db2.gz LEGSZSCBWDNKPK-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc[nH]2)[C@@H](c2ccco2)C1 ZINC000245737485 177164224 /nfs/dbraw/zinc/16/42/24/177164224.db2.gz LEGSZSCBWDNKPK-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc[nH]2)[C@@H](c2ccco2)C1 ZINC000245737485 177164225 /nfs/dbraw/zinc/16/42/25/177164225.db2.gz LEGSZSCBWDNKPK-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000306149402 177169160 /nfs/dbraw/zinc/16/91/60/177169160.db2.gz DTDBKYIONOZAHQ-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000306149402 177169161 /nfs/dbraw/zinc/16/91/61/177169161.db2.gz DTDBKYIONOZAHQ-ZETCQYMHSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1cc[nH+]c2ccncc21 ZINC000267933622 177172113 /nfs/dbraw/zinc/17/21/13/177172113.db2.gz FXSIOQWHDWBNKS-WDEREUQCSA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000337007584 177172236 /nfs/dbraw/zinc/17/22/36/177172236.db2.gz CHJQBKJPTXRRMC-VIFPVBQESA-N 1 2 233.290 2.559 20 0 BFADLO C[C@@H]1CC[C@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000301902325 177187624 /nfs/dbraw/zinc/18/76/24/177187624.db2.gz OBWCOBPCJSQVKH-AOOOYVTPSA-N 1 2 215.300 2.940 20 0 BFADLO C[C@H]1CC[C@@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000360100627 177189884 /nfs/dbraw/zinc/18/98/84/177189884.db2.gz FMIYUSVJKFKHGU-NWDGAFQWSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@H]1CC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000309395490 177207562 /nfs/dbraw/zinc/20/75/62/177207562.db2.gz GMGBNSXWQDWXRY-GXSJLCMTSA-N 1 2 213.284 2.840 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000245720223 177260722 /nfs/dbraw/zinc/26/07/22/177260722.db2.gz HTQXQZZESFLWNE-SMDDNHRTSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnc[nH]2)[C@H]1c1ccccc1 ZINC000245720223 177260723 /nfs/dbraw/zinc/26/07/23/177260723.db2.gz HTQXQZZESFLWNE-SMDDNHRTSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000093867489 177261059 /nfs/dbraw/zinc/26/10/59/177261059.db2.gz HTQXQZZESFLWNE-FZMZJTMJSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnc[nH]2)[C@@H]1c1ccccc1 ZINC000093867489 177261060 /nfs/dbraw/zinc/26/10/60/177261060.db2.gz HTQXQZZESFLWNE-FZMZJTMJSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000279467201 177292659 /nfs/dbraw/zinc/29/26/59/177292659.db2.gz MOHVGEGEWVRUDK-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000279467201 177292661 /nfs/dbraw/zinc/29/26/61/177292661.db2.gz MOHVGEGEWVRUDK-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000353512301 177304709 /nfs/dbraw/zinc/30/47/09/177304709.db2.gz UTGSFBKWRLCJNX-QMMMGPOBSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)o1 ZINC000353512301 177304710 /nfs/dbraw/zinc/30/47/10/177304710.db2.gz UTGSFBKWRLCJNX-QMMMGPOBSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@H]1CSCC[N@@H+]1C/C(Cl)=C/Cl ZINC000177762990 177305254 /nfs/dbraw/zinc/30/52/54/177305254.db2.gz KWZIZFOTXICNPZ-OJKBXMANSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@H]1CSCC[N@H+]1C/C(Cl)=C/Cl ZINC000177762990 177305256 /nfs/dbraw/zinc/30/52/56/177305256.db2.gz KWZIZFOTXICNPZ-OJKBXMANSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@H]1CCN(c2cccc[nH+]2)C[C@@H](C)C1 ZINC000301778620 177310420 /nfs/dbraw/zinc/31/04/20/177310420.db2.gz QCOWYNGIJWAZPN-RYUDHWBXSA-N 1 2 204.317 2.954 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)no1 ZINC000195133567 224901987 /nfs/dbraw/zinc/90/19/87/224901987.db2.gz LGGOMOTXBOUTRM-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccncc2)no1 ZINC000195133567 224901991 /nfs/dbraw/zinc/90/19/91/224901991.db2.gz LGGOMOTXBOUTRM-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000486463639 225264639 /nfs/dbraw/zinc/26/46/39/225264639.db2.gz DJBSBZKGSUWCKZ-PTEHBNRSSA-N 1 2 231.343 2.541 20 0 BFADLO Cc1c[nH+]cc(NC/C=C\c2ccncc2)c1 ZINC000487568251 225314544 /nfs/dbraw/zinc/31/45/44/225314544.db2.gz GWOJGANZQRZLFU-IHWYPQMZSA-N 1 2 225.295 2.910 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(Cl)c1 ZINC000493421189 226212156 /nfs/dbraw/zinc/21/21/56/226212156.db2.gz PDDKAMWTTDZRKN-SNAWJCMRSA-N 1 2 247.685 2.715 20 0 BFADLO O=C(OC1CCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000496018614 226294582 /nfs/dbraw/zinc/29/45/82/226294582.db2.gz DRMBOIPYCVUXBD-LLVKDONJSA-N 1 2 249.314 2.626 20 0 BFADLO CC(C)C[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000680896770 487668644 /nfs/dbraw/zinc/66/86/44/487668644.db2.gz STJDUFWKIPIULQ-LLVKDONJSA-N 1 2 245.326 2.955 20 0 BFADLO COc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228516080 487669335 /nfs/dbraw/zinc/66/93/35/487669335.db2.gz FDIUTHOVLXLHMH-RKDXNWHRSA-N 1 2 229.270 2.999 20 0 BFADLO FC1(C[N@@H+]2CCOC[C@H]2c2ccccc2)CC1 ZINC000526971516 262799939 /nfs/dbraw/zinc/79/99/39/262799939.db2.gz LSHAFYXQOYEILN-ZDUSSCGKSA-N 1 2 235.302 2.562 20 0 BFADLO FC1(C[N@H+]2CCOC[C@H]2c2ccccc2)CC1 ZINC000526971516 262799940 /nfs/dbraw/zinc/79/99/40/262799940.db2.gz LSHAFYXQOYEILN-ZDUSSCGKSA-N 1 2 235.302 2.562 20 0 BFADLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)CC(F)F ZINC000681031338 487701892 /nfs/dbraw/zinc/70/18/92/487701892.db2.gz VYOXKQPRRCYAPD-LBPRGKRZSA-N 1 2 243.297 2.525 20 0 BFADLO CC[C@@H](CO)[N@H+](Cc1ccccc1)CC(F)F ZINC000681031338 487701898 /nfs/dbraw/zinc/70/18/98/487701898.db2.gz VYOXKQPRRCYAPD-LBPRGKRZSA-N 1 2 243.297 2.525 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)Cc1cscc1Cl ZINC000668422340 487727195 /nfs/dbraw/zinc/72/71/95/487727195.db2.gz YTCVCFOVJJVWED-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)Cc1cscc1Cl ZINC000668422340 487727199 /nfs/dbraw/zinc/72/71/99/487727199.db2.gz YTCVCFOVJJVWED-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO Cc1occc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000665694033 487733377 /nfs/dbraw/zinc/73/33/77/487733377.db2.gz JZVQKCHCEGKGRA-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO Cc1occc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000665694033 487733383 /nfs/dbraw/zinc/73/33/83/487733383.db2.gz JZVQKCHCEGKGRA-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO C/C=C/C[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000681152541 487737930 /nfs/dbraw/zinc/73/79/30/487737930.db2.gz JSYUOYRBOGQASB-QRGHLMKCSA-N 1 2 249.358 2.513 20 0 BFADLO Cn1cccc1C[N@H+](C)Cc1ccncc1Cl ZINC000675506390 487743877 /nfs/dbraw/zinc/74/38/77/487743877.db2.gz ZUHFFZHWESCBEZ-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cccc1C[N@@H+](C)Cc1ccncc1Cl ZINC000675506390 487743879 /nfs/dbraw/zinc/74/38/79/487743879.db2.gz ZUHFFZHWESCBEZ-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO COc1ccc(N[C@H](C)c2ccc(F)cn2)[nH+]c1 ZINC000679068653 487748626 /nfs/dbraw/zinc/74/86/26/487748626.db2.gz LDWQQOGQHZZRSN-SECBINFHSA-N 1 2 247.273 2.797 20 0 BFADLO COc1ccc(N[C@H](C)[C@@H]2CC2(F)F)[nH+]c1 ZINC000665749096 487754960 /nfs/dbraw/zinc/75/49/60/487754960.db2.gz YIYDGUSESWHROP-APPZFPTMSA-N 1 2 228.242 2.546 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000740885304 585108031 /nfs/dbraw/zinc/10/80/31/585108031.db2.gz ZOCKLPSJBZHEIX-RQJHMYQMSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000740885304 585108032 /nfs/dbraw/zinc/10/80/32/585108032.db2.gz ZOCKLPSJBZHEIX-RQJHMYQMSA-N 1 2 213.218 2.617 20 0 BFADLO FC1(F)CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000675638858 487757535 /nfs/dbraw/zinc/75/75/35/487757535.db2.gz LBOXJZCBRWZVCR-VIFPVBQESA-N 1 2 249.264 2.651 20 0 BFADLO c1[nH+]cc(N[C@@H]2CCSC2)c2c1CCCC2 ZINC000668441424 487760009 /nfs/dbraw/zinc/76/00/09/487760009.db2.gz ULZNYCOHNJWNLV-LLVKDONJSA-N 1 2 234.368 2.878 20 0 BFADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681273335 487766409 /nfs/dbraw/zinc/76/64/09/487766409.db2.gz JNWCPCKETGQVBR-VXGBXAGGSA-N 1 2 243.310 2.565 20 0 BFADLO Fc1ccc2cc(CNc3c[nH]c[nH+]3)[nH]c2c1 ZINC000555104706 487770089 /nfs/dbraw/zinc/77/00/89/487770089.db2.gz QWJUDGXWTCCOND-UHFFFAOYSA-N 1 2 230.246 2.642 20 0 BFADLO c1[nH]cc(NC2CCC3(CCOCC3)CC2)[nH+]1 ZINC000555104004 487770550 /nfs/dbraw/zinc/77/05/50/487770550.db2.gz QTRSJUVQBFKEHI-UHFFFAOYSA-N 1 2 235.331 2.561 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CC[C@@H](C)[C@H](F)C1 ZINC000679220124 487783372 /nfs/dbraw/zinc/78/33/72/487783372.db2.gz COMNRKORPKLOCY-VXGBXAGGSA-N 1 2 239.338 2.644 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1F ZINC000679221637 487784521 /nfs/dbraw/zinc/78/45/21/487784521.db2.gz LNEBRLCFWIXQJW-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1F ZINC000679221637 487784526 /nfs/dbraw/zinc/78/45/26/487784526.db2.gz LNEBRLCFWIXQJW-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cn[nH]c1 ZINC000678268187 487786113 /nfs/dbraw/zinc/78/61/13/487786113.db2.gz WBFHVWBKZWBBIU-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cn[nH]c1 ZINC000678268187 487786117 /nfs/dbraw/zinc/78/61/17/487786117.db2.gz WBFHVWBKZWBBIU-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@H]1F ZINC000679223758 487786489 /nfs/dbraw/zinc/78/64/89/487786489.db2.gz MTFDMFMPRVXXBD-DGCLKSJQSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1F ZINC000679223758 487786493 /nfs/dbraw/zinc/78/64/93/487786493.db2.gz MTFDMFMPRVXXBD-DGCLKSJQSA-N 1 2 247.317 2.514 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1cccc2c1CCC2 ZINC000651643157 487809558 /nfs/dbraw/zinc/80/95/58/487809558.db2.gz UBJULGXTPOXQFR-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1cccc2c1CCC2 ZINC000651643157 487809563 /nfs/dbraw/zinc/80/95/63/487809563.db2.gz UBJULGXTPOXQFR-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2c1CCC2 ZINC000651805953 487828786 /nfs/dbraw/zinc/82/87/86/487828786.db2.gz KMCKMPSOHVOPBM-UHFFFAOYSA-N 1 2 211.255 2.530 20 0 BFADLO CCC[C@@H](CNc1ccc(C)[nH+]c1)OC ZINC000386135340 487830209 /nfs/dbraw/zinc/83/02/09/487830209.db2.gz POCZESLXMBSFRF-LBPRGKRZSA-N 1 2 208.305 2.617 20 0 BFADLO C[C@@H]1C[N@H+](CC(F)(F)C(F)F)[C@@H](C)[C@H]1C ZINC000842165740 588005743 /nfs/dbraw/zinc/00/57/43/588005743.db2.gz FIMIGYZOQXUNQI-CSMHCCOUSA-N 1 2 227.245 2.863 20 0 BFADLO C[C@@H]1C[N@@H+](CC(F)(F)C(F)F)[C@@H](C)[C@H]1C ZINC000842165740 588005744 /nfs/dbraw/zinc/00/57/44/588005744.db2.gz FIMIGYZOQXUNQI-CSMHCCOUSA-N 1 2 227.245 2.863 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CC(F)F ZINC000681685706 487840483 /nfs/dbraw/zinc/84/04/83/487840483.db2.gz DLNNDEHDEHTTNN-VIFPVBQESA-N 1 2 231.261 2.954 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC(F)F ZINC000681685706 487840487 /nfs/dbraw/zinc/84/04/87/487840487.db2.gz DLNNDEHDEHTTNN-VIFPVBQESA-N 1 2 231.261 2.954 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)CC1=CCCOC1 ZINC000852518397 588687650 /nfs/dbraw/zinc/68/76/50/588687650.db2.gz HDBRXBYKVHWVTI-BJMVGYQFSA-N 1 2 236.142 2.584 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)CC1=CCCOC1 ZINC000852518397 588687651 /nfs/dbraw/zinc/68/76/51/588687651.db2.gz HDBRXBYKVHWVTI-BJMVGYQFSA-N 1 2 236.142 2.584 20 0 BFADLO FC(F)(F)OCCC[N@@H+]1CCC=C(Cl)C1 ZINC000878790295 590622356 /nfs/dbraw/zinc/62/23/56/590622356.db2.gz PKEUJFYBHKSOME-UHFFFAOYSA-N 1 2 243.656 2.741 20 0 BFADLO FC(F)(F)OCCC[N@H+]1CCC=C(Cl)C1 ZINC000878790295 590622359 /nfs/dbraw/zinc/62/23/59/590622359.db2.gz PKEUJFYBHKSOME-UHFFFAOYSA-N 1 2 243.656 2.741 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)no1 ZINC000671111820 487875720 /nfs/dbraw/zinc/87/57/20/487875720.db2.gz RCUWHBLOYFSBGX-RKDXNWHRSA-N 1 2 249.314 3.000 20 0 BFADLO CCCOc1ccccc1-n1cc[nH+]c1 ZINC000531012358 322972906 /nfs/dbraw/zinc/97/29/06/322972906.db2.gz YFVVOQKASJOQPY-UHFFFAOYSA-N 1 2 202.257 2.661 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000667061813 487918957 /nfs/dbraw/zinc/91/89/57/487918957.db2.gz XYOCTNJTMTWXNR-VXGBXAGGSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792588 487928675 /nfs/dbraw/zinc/92/86/75/487928675.db2.gz DXMZYBWEHKGFRQ-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCc2c[nH]nc2C1 ZINC000676792588 487928679 /nfs/dbraw/zinc/92/86/79/487928679.db2.gz DXMZYBWEHKGFRQ-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO CC[C@H]([NH2+]Cc1ccncc1C)C(F)F ZINC000560139877 322983207 /nfs/dbraw/zinc/98/32/07/322983207.db2.gz QMAINZKEHUILBN-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccncc1C)C(F)F ZINC000560139878 322983214 /nfs/dbraw/zinc/98/32/14/322983214.db2.gz QMAINZKEHUILBN-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO CO[C@H]1C[C@@H](N(C)c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000561356965 323000320 /nfs/dbraw/zinc/00/03/20/323000320.db2.gz KCNCIABUVCUNJS-TXEJJXNPSA-N 1 2 249.358 2.522 20 0 BFADLO CC1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000151658510 323022352 /nfs/dbraw/zinc/02/23/52/323022352.db2.gz OFGKHXSDZOYGAI-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO FC(F)Oc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000564536411 323033251 /nfs/dbraw/zinc/03/32/51/323033251.db2.gz GYTYLBCTXMPEBQ-UHFFFAOYSA-N 1 2 239.225 2.623 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)CCSC(C)C)n1 ZINC000569706543 323037872 /nfs/dbraw/zinc/03/78/72/323037872.db2.gz QBJGSEAPDWVBJZ-VIFPVBQESA-N 1 2 243.376 2.512 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)CCSC(C)C)n1 ZINC000569706543 323037873 /nfs/dbraw/zinc/03/78/73/323037873.db2.gz QBJGSEAPDWVBJZ-VIFPVBQESA-N 1 2 243.376 2.512 20 0 BFADLO C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000570563692 323063112 /nfs/dbraw/zinc/06/31/12/323063112.db2.gz TUYJFVIJXAWGOG-QWRGUYRKSA-N 1 2 247.342 2.649 20 0 BFADLO CCC[C@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563281604 323108062 /nfs/dbraw/zinc/10/80/62/323108062.db2.gz AGEUTQPNISUDKX-JTQLQIEISA-N 1 2 237.347 2.587 20 0 BFADLO Cc1cc(NC(=O)NC2CCCCC2)c(C)c[nH+]1 ZINC000534326257 323116881 /nfs/dbraw/zinc/11/68/81/323116881.db2.gz NNRKEVVUHOLFRG-UHFFFAOYSA-N 1 2 247.342 2.575 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2C=CCCCCC2)no1 ZINC000563634087 323132902 /nfs/dbraw/zinc/13/29/02/323132902.db2.gz BLNZKHRVAHZODC-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2C=CCCCCC2)no1 ZINC000563634087 323132903 /nfs/dbraw/zinc/13/29/03/323132903.db2.gz BLNZKHRVAHZODC-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccncc1)c1cscn1 ZINC000161135083 323148961 /nfs/dbraw/zinc/14/89/61/323148961.db2.gz AMRUTCZICQIMRE-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO CC(C)C[C@H]1CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000074994826 323151702 /nfs/dbraw/zinc/15/17/02/323151702.db2.gz XDNIIKZKDRODMB-LLVKDONJSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)C[C@H]1CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000074994826 323151703 /nfs/dbraw/zinc/15/17/03/323151703.db2.gz XDNIIKZKDRODMB-LLVKDONJSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C1CC1 ZINC000111234680 323157487 /nfs/dbraw/zinc/15/74/87/323157487.db2.gz CKCPXPHKMNWYQT-CQSZACIVSA-N 1 2 242.322 2.726 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(OC)c1 ZINC000532514582 323272362 /nfs/dbraw/zinc/27/23/62/323272362.db2.gz XMSQTAGOCIZALD-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(OC)c1 ZINC000532514581 323272627 /nfs/dbraw/zinc/27/26/27/323272627.db2.gz XMSQTAGOCIZALD-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO CC[N@H+](CCCN1CCCC1=O)c1ccccc1 ZINC000532655589 323286642 /nfs/dbraw/zinc/28/66/42/323286642.db2.gz YEIQIZPIJFDPSR-UHFFFAOYSA-N 1 2 246.354 2.525 20 0 BFADLO CC[N@@H+](CCCN1CCCC1=O)c1ccccc1 ZINC000532655589 323286645 /nfs/dbraw/zinc/28/66/45/323286645.db2.gz YEIQIZPIJFDPSR-UHFFFAOYSA-N 1 2 246.354 2.525 20 0 BFADLO Cc1cc(N[C@H](C2CC2)C2CCC2)nc[nH+]1 ZINC000325031474 323308735 /nfs/dbraw/zinc/30/87/35/323308735.db2.gz MFLJRTQBFXUVKA-ZDUSSCGKSA-N 1 2 217.316 2.776 20 0 BFADLO C[C@H]1C[N@H+](CC2(F)CC2)C[C@@H](c2ccccc2)O1 ZINC000526969994 323309668 /nfs/dbraw/zinc/30/96/68/323309668.db2.gz IRTQCQVRXWCZFB-JSGCOSHPSA-N 1 2 249.329 2.951 20 0 BFADLO C[C@H]1C[N@@H+](CC2(F)CC2)C[C@@H](c2ccccc2)O1 ZINC000526969994 323309671 /nfs/dbraw/zinc/30/96/71/323309671.db2.gz IRTQCQVRXWCZFB-JSGCOSHPSA-N 1 2 249.329 2.951 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cscn1 ZINC000307562381 323324608 /nfs/dbraw/zinc/32/46/08/323324608.db2.gz KSMXUZQHKVHAHM-HRDYMLBCSA-N 1 2 214.309 2.684 20 0 BFADLO Cc1ccccc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000563971417 323336225 /nfs/dbraw/zinc/33/62/25/323336225.db2.gz POAABGWUXKWDFB-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO Cc1ccccc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000563971417 323336227 /nfs/dbraw/zinc/33/62/27/323336227.db2.gz POAABGWUXKWDFB-NSHDSACASA-N 1 2 243.310 2.535 20 0 BFADLO c1c[nH+]c(CNc2cccc3cc[nH]c32)[nH]1 ZINC000309650989 323444306 /nfs/dbraw/zinc/44/43/06/323444306.db2.gz XXQZQZGFLVCOQE-UHFFFAOYSA-N 1 2 212.256 2.503 20 0 BFADLO CC[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527845492 323703003 /nfs/dbraw/zinc/70/30/03/323703003.db2.gz KAIDQPNFTLUHNV-NSHDSACASA-N 1 2 220.316 2.717 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C)[C@@H](C)C1 ZINC000527950602 323725751 /nfs/dbraw/zinc/72/57/51/323725751.db2.gz PACQUQUXKPOADV-QWRGUYRKSA-N 1 2 220.316 2.573 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)C1CCC1 ZINC000162967190 324175630 /nfs/dbraw/zinc/17/56/30/324175630.db2.gz BZMSIXGAFXUCHP-SECBINFHSA-N 1 2 206.289 2.691 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000529600339 324360001 /nfs/dbraw/zinc/36/00/01/324360001.db2.gz KUUPUCNDJBTEBF-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2occc2C)C1 ZINC000529639286 324368805 /nfs/dbraw/zinc/36/88/05/324368805.db2.gz AKSJGCWZKDYDFU-UHFFFAOYSA-N 1 2 237.343 2.977 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CCOC3)c[nH+]c1N ZINC000530248415 324558285 /nfs/dbraw/zinc/55/82/85/324558285.db2.gz MYASGIKPIUPRAJ-UHFFFAOYSA-N 1 2 240.306 2.542 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000125352791 324638707 /nfs/dbraw/zinc/63/87/07/324638707.db2.gz UBRVTEHQBIYYQS-NWDGAFQWSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000125353430 324639113 /nfs/dbraw/zinc/63/91/13/324639113.db2.gz UBRVTEHQBIYYQS-NEPJUHHUSA-N 1 2 249.358 2.745 20 0 BFADLO CCCn1cc(CNc2ccc(C)[nH+]c2)cn1 ZINC000128057023 324803704 /nfs/dbraw/zinc/80/37/04/324803704.db2.gz ALOMNERXLYNMKR-UHFFFAOYSA-N 1 2 230.315 2.609 20 0 BFADLO Cn1cc[nH+]c1CNc1cc(F)cc(Cl)c1 ZINC000128529436 324849721 /nfs/dbraw/zinc/84/97/21/324849721.db2.gz SPNFOVCBCDKYGO-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1cnc(C[NH2+][C@H](c2cccnc2)C2CC2)o1 ZINC000541589743 324966727 /nfs/dbraw/zinc/96/67/27/324966727.db2.gz KXZZCKLEYYNMHQ-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO Cc1nc(N2C[C@@H](C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000542020023 325004845 /nfs/dbraw/zinc/00/48/45/325004845.db2.gz OFOTUBGWZFWYRB-WDEREUQCSA-N 1 2 245.370 2.899 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccon1 ZINC000542707864 325043110 /nfs/dbraw/zinc/04/31/10/325043110.db2.gz IWNILELKVDJSOT-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)o1 ZINC000543541536 325092975 /nfs/dbraw/zinc/09/29/75/325092975.db2.gz QUYINFITIFJACA-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2cc(C)ccc2C)o1 ZINC000544515978 325146200 /nfs/dbraw/zinc/14/62/00/325146200.db2.gz SYCQPZLPBVHPJW-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nccn2C)s1 ZINC000546197705 325271331 /nfs/dbraw/zinc/27/13/31/325271331.db2.gz CDWKOXDTONMGDQ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nccn2C)s1 ZINC000546197705 325271332 /nfs/dbraw/zinc/27/13/32/325271332.db2.gz CDWKOXDTONMGDQ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO Cc1ccc(Cc2noc(C3=CCCC3)n2)c[nH+]1 ZINC000547066421 325324328 /nfs/dbraw/zinc/32/43/28/325324328.db2.gz MMCQJTDMIHADSG-UHFFFAOYSA-N 1 2 241.294 2.931 20 0 BFADLO CCCC[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000135126578 325396341 /nfs/dbraw/zinc/39/63/41/325396341.db2.gz SMJJZCNDOWIENB-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO CCCC[C@H](COC)Nc1[nH+]cccc1OC ZINC000548195555 325440733 /nfs/dbraw/zinc/44/07/33/325440733.db2.gz AOKJQNPSYQFFSO-LLVKDONJSA-N 1 2 238.331 2.707 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](c2cccs2)C2CC2)o1 ZINC000553293442 325685276 /nfs/dbraw/zinc/68/52/76/325685276.db2.gz PFTXTKQUNZCJLR-GFCCVEGCSA-N 1 2 249.339 2.680 20 0 BFADLO CC[C@H]([NH2+]C1(C2CC2)CC1)C(=O)OC(C)(C)C ZINC000555437891 325758207 /nfs/dbraw/zinc/75/82/07/325758207.db2.gz FFCASZXMNMZSAA-NSHDSACASA-N 1 2 239.359 2.639 20 0 BFADLO COc1ccc(CC[C@@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000556270480 325788814 /nfs/dbraw/zinc/78/88/14/325788814.db2.gz JIPCDGUNHMGIMX-LLVKDONJSA-N 1 2 245.326 2.852 20 0 BFADLO C[C@@H](CC(=O)NC(C)(C)C1CCC1)n1cc[nH+]c1 ZINC000565052445 325851652 /nfs/dbraw/zinc/85/16/52/325851652.db2.gz PQROZNCKLWVJTO-NSHDSACASA-N 1 2 249.358 2.529 20 0 BFADLO Cc1[nH]c(CNc2ccc(F)c(F)c2)[nH+]c1C ZINC000566496340 326058494 /nfs/dbraw/zinc/05/84/94/326058494.db2.gz GDRWOYDCGQCLKD-UHFFFAOYSA-N 1 2 237.253 2.917 20 0 BFADLO FC(F)(F)[C@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000309561228 326160207 /nfs/dbraw/zinc/16/02/07/326160207.db2.gz JIQLLBQYAAOHKT-YUMQZZPRSA-N 1 2 233.237 2.943 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@@H](C)c1ccccc1 ZINC000567520873 326209727 /nfs/dbraw/zinc/20/97/27/326209727.db2.gz IBODPCCSGPELKQ-LLVKDONJSA-N 1 2 241.338 2.731 20 0 BFADLO CC(C)(NC(=O)[C@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000568069574 326303333 /nfs/dbraw/zinc/30/33/33/326303333.db2.gz INKRFRHPIXZKSM-JTQLQIEISA-N 1 2 249.358 2.587 20 0 BFADLO COCc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000568269744 326337969 /nfs/dbraw/zinc/33/79/69/326337969.db2.gz WEFPENNKFWXVCH-UHFFFAOYSA-N 1 2 245.326 2.785 20 0 BFADLO Cc1cc(NCc2ccc([C@@H]3C[C@@H]3C)o2)nc[nH+]1 ZINC000569207415 326395106 /nfs/dbraw/zinc/39/51/06/326395106.db2.gz JAZWVTPYNSHYGR-JOYOIKCWSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1[nH+]cc(CN(C)Cc2ccc(C)cc2)n1C ZINC000667475171 488019838 /nfs/dbraw/zinc/01/98/38/488019838.db2.gz HEJSJHVUPJLHEF-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO CN(Cc1ccsc1)Cc1c[nH+]c2n1CCC2 ZINC000667487287 488024053 /nfs/dbraw/zinc/02/40/53/488024053.db2.gz UGIJOAKODNEMRO-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cc(C)n(C)n1 ZINC000682708469 488024445 /nfs/dbraw/zinc/02/44/45/488024445.db2.gz SFVNGQOJQSEEER-UHFFFAOYSA-N 1 2 245.326 2.573 20 0 BFADLO C[C@H](c1ccco1)N(C)Cc1c[nH+]c2n1CCC2 ZINC000667499305 488030903 /nfs/dbraw/zinc/03/09/03/488030903.db2.gz GDQOEAICAIOZPV-LLVKDONJSA-N 1 2 245.326 2.615 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2nc(C)cs2)c1 ZINC000682779285 488039153 /nfs/dbraw/zinc/03/91/53/488039153.db2.gz WUQWMUIPJHVIAI-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2nc(C)cs2)c1 ZINC000682779285 488039158 /nfs/dbraw/zinc/03/91/58/488039158.db2.gz WUQWMUIPJHVIAI-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncc(F)c2)nc1 ZINC000682788300 488041494 /nfs/dbraw/zinc/04/14/94/488041494.db2.gz UWKJACAMCXUOKX-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncc(F)c2)nc1 ZINC000682788300 488041500 /nfs/dbraw/zinc/04/15/00/488041500.db2.gz UWKJACAMCXUOKX-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCCn1nccc1C[NH+]1Cc2ccccc2C1 ZINC000667601830 488055521 /nfs/dbraw/zinc/05/55/21/488055521.db2.gz KVYNMDHQHKQMHS-UHFFFAOYSA-N 1 2 241.338 2.809 20 0 BFADLO CSc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000670087669 488077161 /nfs/dbraw/zinc/07/71/61/488077161.db2.gz MDYGTNPWJNPZRY-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO CSc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cc1 ZINC000670087669 488077164 /nfs/dbraw/zinc/07/71/64/488077164.db2.gz MDYGTNPWJNPZRY-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO Cc1c[nH]c(C[NH2+]C2(c3ccc(F)cc3)CC2)n1 ZINC000657349074 488115542 /nfs/dbraw/zinc/11/55/42/488115542.db2.gz DWEBFOGVMQVQTH-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1nc(C)oc1C ZINC000660613677 488123346 /nfs/dbraw/zinc/12/33/46/488123346.db2.gz GHVWBWYZKSWHHE-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1nc(C)oc1C ZINC000660613677 488123351 /nfs/dbraw/zinc/12/33/51/488123351.db2.gz GHVWBWYZKSWHHE-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2C(C)=CCC[C@H]2C)no1 ZINC000668795588 487549206 /nfs/dbraw/zinc/54/92/06/487549206.db2.gz CPITWNVHYVPTLS-YPMHNXCESA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2C(C)=CCC[C@H]2C)no1 ZINC000668795588 487549210 /nfs/dbraw/zinc/54/92/10/487549210.db2.gz CPITWNVHYVPTLS-YPMHNXCESA-N 1 2 249.358 2.802 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000664524904 487554472 /nfs/dbraw/zinc/55/44/72/487554472.db2.gz MHLGQDUFQBRZTE-IUCAKERBSA-N 1 2 242.244 2.947 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000664524905 487554703 /nfs/dbraw/zinc/55/47/03/487554703.db2.gz MHLGQDUFQBRZTE-RKDXNWHRSA-N 1 2 242.244 2.947 20 0 BFADLO Cc1ncsc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672207963 487556131 /nfs/dbraw/zinc/55/61/31/487556131.db2.gz NIXQAEGVTVCZIH-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000679905561 487483984 /nfs/dbraw/zinc/48/39/84/487483984.db2.gz XBTKPODCCRJWPI-GHMZBOCLSA-N 1 2 234.343 2.796 20 0 BFADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000673932605 487492348 /nfs/dbraw/zinc/49/23/48/487492348.db2.gz BYUXKDAKYWSVON-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO CCC1C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000668229580 487492823 /nfs/dbraw/zinc/49/28/23/487492823.db2.gz MTHYSKFVECFIIB-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO CC(C)(C)c1nc(NC[C@@H]2CCCCO2)cc[nH+]1 ZINC000674063508 487506384 /nfs/dbraw/zinc/50/63/84/487506384.db2.gz DXMSMVOCHZSRNE-NSHDSACASA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)[C@@H]1C[C@H]1C ZINC000666120018 487504251 /nfs/dbraw/zinc/50/42/51/487504251.db2.gz JBDGYHBYEJDBJF-JLLWLGSASA-N 1 2 220.316 2.937 20 0 BFADLO CC(C)(C)c1nc(NCC[C@H]2CCCO2)cc[nH+]1 ZINC000674062967 487506129 /nfs/dbraw/zinc/50/61/29/487506129.db2.gz PEHBYIOBQIQXMH-LLVKDONJSA-N 1 2 249.358 2.755 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C(C)(C)C)n2)on1 ZINC000674063547 487506159 /nfs/dbraw/zinc/50/61/59/487506159.db2.gz HLUHBEVKZBSCFR-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CCc1noc(C[NH2+][C@@H](C)c2ccsc2)n1 ZINC000381749871 487521429 /nfs/dbraw/zinc/52/14/29/487521429.db2.gz QVVGQWUBBQYGAQ-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CC(C)(CO)[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000685578235 487557314 /nfs/dbraw/zinc/55/73/14/487557314.db2.gz JSFUMILBNUUVIT-LBPRGKRZSA-N 1 2 243.297 2.601 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccon1 ZINC000680529690 487612447 /nfs/dbraw/zinc/61/24/47/487612447.db2.gz ZVHOCQKMMQQCKT-MRVPVSSYSA-N 1 2 230.271 2.515 20 0 BFADLO Cc1ccc(NCc2[nH]nc3ccccc32)[nH+]c1 ZINC000675049791 487665867 /nfs/dbraw/zinc/66/58/67/487665867.db2.gz MLJLBLWENNGKCF-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1ccc[nH+]c1NCc1[nH]nc2ccccc21 ZINC000676199042 487820306 /nfs/dbraw/zinc/82/03/06/487820306.db2.gz TXLMWQXRLTYZQG-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)ncn2C1CC1 ZINC000656369593 488082102 /nfs/dbraw/zinc/08/21/02/488082102.db2.gz FYWUPLVHYSGQTC-UHFFFAOYSA-N 1 2 238.294 2.772 20 0 BFADLO Cc1ccncc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000678408351 488150338 /nfs/dbraw/zinc/15/03/38/488150338.db2.gz IDMCFXGRMMBNRB-JTQLQIEISA-N 1 2 228.299 2.662 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC(C(C)C)C(C)C ZINC000678096831 488197375 /nfs/dbraw/zinc/19/73/75/488197375.db2.gz ZIKXNEYDVATYBE-UHFFFAOYSA-N 1 2 249.358 2.614 20 0 BFADLO Cc1ccc2cc(C[N@H+]3CCOC[C@H]3C)[nH]c2c1 ZINC000668069176 488198265 /nfs/dbraw/zinc/19/82/65/488198265.db2.gz HZUDNMUTUDLGEV-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2cc(C[N@@H+]3CCOC[C@H]3C)[nH]c2c1 ZINC000668069176 488198268 /nfs/dbraw/zinc/19/82/68/488198268.db2.gz HZUDNMUTUDLGEV-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCc3cc(F)ccc32)o1 ZINC000231638985 488217263 /nfs/dbraw/zinc/21/72/63/488217263.db2.gz VOYJHMUWUPTCMC-CYBMUJFWSA-N 1 2 246.285 2.899 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cn[nH]c1 ZINC000678268186 488230874 /nfs/dbraw/zinc/23/08/74/488230874.db2.gz WBFHVWBKZWBBIU-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cn[nH]c1 ZINC000678268186 488230875 /nfs/dbraw/zinc/23/08/75/488230875.db2.gz WBFHVWBKZWBBIU-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO Cc1n[nH]cc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283534 488237355 /nfs/dbraw/zinc/23/73/55/488237355.db2.gz NMHIZQOINYCCET-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1n[nH]cc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283534 488237357 /nfs/dbraw/zinc/23/73/57/488237357.db2.gz NMHIZQOINYCCET-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)CCO1 ZINC000678312119 488240024 /nfs/dbraw/zinc/24/00/24/488240024.db2.gz QIZVVKAPQSMWRC-WDEREUQCSA-N 1 2 249.358 2.754 20 0 BFADLO FC1(F)CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000672274741 488249438 /nfs/dbraw/zinc/24/94/38/488249438.db2.gz VSHYYDMHQVKJNT-SECBINFHSA-N 1 2 239.269 2.954 20 0 BFADLO C[C@H]1CC[N@H+](CC(F)F)CC12CCC2 ZINC000678469373 488258493 /nfs/dbraw/zinc/25/84/93/488258493.db2.gz SCOHANHVPPDZKT-VIFPVBQESA-N 1 2 203.276 2.764 20 0 BFADLO C[C@H]1CC[N@@H+](CC(F)F)CC12CCC2 ZINC000678469373 488258494 /nfs/dbraw/zinc/25/84/94/488258494.db2.gz SCOHANHVPPDZKT-VIFPVBQESA-N 1 2 203.276 2.764 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cnccc2C)no1 ZINC000678542553 488265012 /nfs/dbraw/zinc/26/50/12/488265012.db2.gz HFNNQAZZUOFJPN-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)(C)c1nc(N[C@H]2CCCOCC2)cc[nH+]1 ZINC000678942730 488297313 /nfs/dbraw/zinc/29/73/13/488297313.db2.gz CASQHHZDXBKMIU-NSHDSACASA-N 1 2 249.358 2.755 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000679004673 488302313 /nfs/dbraw/zinc/30/23/13/488302313.db2.gz DNHXBKXIEVVZNB-RYUDHWBXSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1nc2c(s1)[C@H]([NH2+]Cc1cocn1)CCC2 ZINC000679050046 488304941 /nfs/dbraw/zinc/30/49/41/488304941.db2.gz VXKNEHHLIFMCQC-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1F ZINC000684413659 488309519 /nfs/dbraw/zinc/30/95/19/488309519.db2.gz UNCVHSGACYBGPS-UHFFFAOYSA-N 1 2 247.260 2.968 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1F ZINC000679189342 488315348 /nfs/dbraw/zinc/31/53/48/488315348.db2.gz BJHOCPXDMVCOMM-GHMZBOCLSA-N 1 2 247.317 2.758 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000679220208 488318450 /nfs/dbraw/zinc/31/84/50/488318450.db2.gz DAAAWTHQSSVQJA-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000679220208 488318452 /nfs/dbraw/zinc/31/84/52/488318452.db2.gz DAAAWTHQSSVQJA-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccncc2Cl)C[C@H]1F ZINC000679225754 488321926 /nfs/dbraw/zinc/32/19/26/488321926.db2.gz YEEJQPKYPHBWLU-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@H]1F ZINC000679225754 488321929 /nfs/dbraw/zinc/32/19/29/488321929.db2.gz YEEJQPKYPHBWLU-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679228602 488322822 /nfs/dbraw/zinc/32/28/22/488322822.db2.gz YAAABDRXNRQSGV-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO CC(C)(C)c1nc(NCCc2ccc[nH]2)cc[nH+]1 ZINC000679284465 488329062 /nfs/dbraw/zinc/32/90/62/488329062.db2.gz ZTSXHFBGCLVOHE-UHFFFAOYSA-N 1 2 244.342 2.757 20 0 BFADLO Cc1cccc(C)c1NC(=O)C[N@H+]1CC=CCC1 ZINC000679324497 488338061 /nfs/dbraw/zinc/33/80/61/488338061.db2.gz UPNOXQADEYQOLA-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO Cc1cccc(C)c1NC(=O)C[N@@H+]1CC=CCC1 ZINC000679324497 488338064 /nfs/dbraw/zinc/33/80/64/488338064.db2.gz UPNOXQADEYQOLA-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO FC(F)(F)c1cccnc1C[N@H+]1CC=CCC1 ZINC000679357269 488343950 /nfs/dbraw/zinc/34/39/50/488343950.db2.gz BDFZOYMFQCKOSS-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO FC(F)(F)c1cccnc1C[N@@H+]1CC=CCC1 ZINC000679357269 488343953 /nfs/dbraw/zinc/34/39/53/488343953.db2.gz BDFZOYMFQCKOSS-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO COCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000679359114 488344944 /nfs/dbraw/zinc/34/49/44/488344944.db2.gz KOTLOOJXVIOWGK-MFKMUULPSA-N 1 2 241.306 2.606 20 0 BFADLO COCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000679359114 488344947 /nfs/dbraw/zinc/34/49/47/488344947.db2.gz KOTLOOJXVIOWGK-MFKMUULPSA-N 1 2 241.306 2.606 20 0 BFADLO CCc1ncc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679362202 488346623 /nfs/dbraw/zinc/34/66/23/488346623.db2.gz XIZGNWYINLCOAQ-GXSJLCMTSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1ncc(C[N@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679362202 488346625 /nfs/dbraw/zinc/34/66/25/488346625.db2.gz XIZGNWYINLCOAQ-GXSJLCMTSA-N 1 2 242.363 2.885 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@H](C)CCCCO ZINC000679363915 488347144 /nfs/dbraw/zinc/34/71/44/488347144.db2.gz SMUSJOBXMAIKHD-GFCCVEGCSA-N 1 2 237.343 2.967 20 0 BFADLO COc1ccc([C@H](C)CNc2c[nH]c[nH+]2)cc1 ZINC000684836408 488347808 /nfs/dbraw/zinc/34/78/08/488347808.db2.gz WPUFXJVMEJQWOT-SNVBAGLBSA-N 1 2 231.299 2.634 20 0 BFADLO C[C@H](CCc1cccc(F)c1)Nc1c[nH]c[nH+]1 ZINC000684836653 488347814 /nfs/dbraw/zinc/34/78/14/488347814.db2.gz ZVBJNFWGEJKJFE-SNVBAGLBSA-N 1 2 233.290 2.982 20 0 BFADLO C[C@H](CO)C[N@H+](CC1CC1)c1ccccc1 ZINC000121488573 490095515 /nfs/dbraw/zinc/09/55/15/490095515.db2.gz NMZIMIKUQDSYTB-LBPRGKRZSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@H](CO)C[N@@H+](CC1CC1)c1ccccc1 ZINC000121488573 490095517 /nfs/dbraw/zinc/09/55/17/490095517.db2.gz NMZIMIKUQDSYTB-LBPRGKRZSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CC1 ZINC000353127380 490113461 /nfs/dbraw/zinc/11/34/61/490113461.db2.gz PDGHUHVCKLFGRU-NSHDSACASA-N 1 2 242.326 2.537 20 0 BFADLO C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000353127380 490113473 /nfs/dbraw/zinc/11/34/73/490113473.db2.gz PDGHUHVCKLFGRU-NSHDSACASA-N 1 2 242.326 2.537 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1nccn1C ZINC000070445005 490212615 /nfs/dbraw/zinc/21/26/15/490212615.db2.gz AHVSHOJNAAXUNV-GHMZBOCLSA-N 1 2 247.317 2.971 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1cc(NC2CC2)[nH+]cn1 ZINC000413218094 490273981 /nfs/dbraw/zinc/27/39/81/490273981.db2.gz GWVGMMRNVIIDBL-CMPLNLGQSA-N 1 2 246.358 2.818 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1cc(NC2CC2)nc[nH+]1 ZINC000413218094 490273987 /nfs/dbraw/zinc/27/39/87/490273987.db2.gz GWVGMMRNVIIDBL-CMPLNLGQSA-N 1 2 246.358 2.818 20 0 BFADLO Cc1ccc(CNc2ccc3ccccc3[nH+]2)nc1 ZINC000400903332 490570916 /nfs/dbraw/zinc/57/09/16/490570916.db2.gz OGKPSXCNPKYWSK-UHFFFAOYSA-N 1 2 249.317 2.972 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000162414838 490673694 /nfs/dbraw/zinc/67/36/94/490673694.db2.gz YSBXEJRMECSYHO-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000162414838 490673697 /nfs/dbraw/zinc/67/36/97/490673697.db2.gz YSBXEJRMECSYHO-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC000227084014 491054865 /nfs/dbraw/zinc/05/48/65/491054865.db2.gz BMJWEITUGXJVFY-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2cocn2)o1 ZINC000309671142 491058423 /nfs/dbraw/zinc/05/84/23/491058423.db2.gz VZOVUGLFGCPOLK-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831120 491080329 /nfs/dbraw/zinc/08/03/29/491080329.db2.gz XMLSBKQPJOSXDP-JOYOIKCWSA-N 1 2 241.294 2.671 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000088052552 491094202 /nfs/dbraw/zinc/09/42/02/491094202.db2.gz TZRMZNLGJZDVMS-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO CCc1cnc(C[NH2+][C@@H](C)c2cncc(F)c2)o1 ZINC000228578331 491095529 /nfs/dbraw/zinc/09/55/29/491095529.db2.gz PRISVSFWSXYABO-VIFPVBQESA-N 1 2 249.289 2.622 20 0 BFADLO Cc1nc(NCC(C)(C)c2ccncc2)cc[nH+]1 ZINC000120958775 491101393 /nfs/dbraw/zinc/10/13/93/491101393.db2.gz NGZSTVZCNGUKQW-UHFFFAOYSA-N 1 2 242.326 2.570 20 0 BFADLO Cc1[nH]c(CN(C)c2ccccc2)[nH+]c1C ZINC000628118354 491121876 /nfs/dbraw/zinc/12/18/76/491121876.db2.gz QSJFADBGJALYKH-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2ccc[nH+]c2C)CCO1 ZINC000085712317 491123532 /nfs/dbraw/zinc/12/35/32/491123532.db2.gz VQQHBYGQHNANJJ-NWDGAFQWSA-N 1 2 220.316 2.760 20 0 BFADLO CCc1cc(NC[C@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000230432536 491130070 /nfs/dbraw/zinc/13/00/70/491130070.db2.gz MEZDHOFLQSIQJM-QWRGUYRKSA-N 1 2 219.332 2.887 20 0 BFADLO CCc1cc(NC[C@@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000230692987 491130635 /nfs/dbraw/zinc/13/06/35/491130635.db2.gz KXJOPJPDHGAUOX-QWRGUYRKSA-N 1 2 219.332 2.887 20 0 BFADLO C[C@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132047671 491134003 /nfs/dbraw/zinc/13/40/03/491134003.db2.gz DGIJDIJZFWAFOJ-VHSXEESVSA-N 1 2 248.326 2.853 20 0 BFADLO C[C@H](Nc1ccc(F)c(F)c1)c1[nH]cc[nH+]1 ZINC000309745113 491155828 /nfs/dbraw/zinc/15/58/28/491155828.db2.gz FJHSSGKAUIAWDJ-ZETCQYMHSA-N 1 2 223.226 2.861 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cnccn1 ZINC000309824995 491157357 /nfs/dbraw/zinc/15/73/57/491157357.db2.gz XEWIONWSXMKMGG-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO COc1ccc[nH+]c1NCc1sc(C)nc1C ZINC000310554877 491162018 /nfs/dbraw/zinc/16/20/18/491162018.db2.gz HTTZKXHROXIPQF-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)c1cscn1 ZINC000134141304 491162146 /nfs/dbraw/zinc/16/21/46/491162146.db2.gz FRPGTLTUCRGVKG-MRVPVSSYSA-N 1 2 205.286 2.711 20 0 BFADLO C[C@@H]1CCC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493164710 533859164 /nfs/dbraw/zinc/85/91/64/533859164.db2.gz LTGCOLMFVBHAOV-LASXONHFSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)c1nc(N[C@]2(C)CCO[C@H]2C)cc[nH+]1 ZINC000343465060 534910800 /nfs/dbraw/zinc/91/08/00/534910800.db2.gz VKEJJWPXLKTRBO-GXFFZTMASA-N 1 2 235.331 2.579 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000172763672 534911707 /nfs/dbraw/zinc/91/17/07/534911707.db2.gz AIGJQKHOTXIOBE-VXGBXAGGSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493784214 527411866 /nfs/dbraw/zinc/41/18/66/527411866.db2.gz HTEDMVDHATXSLB-QDZRJHCZSA-N 1 2 247.342 2.674 20 0 BFADLO CC(C)(C)C(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492848943 527614749 /nfs/dbraw/zinc/61/47/49/527614749.db2.gz ANZFFSZMMYJQEU-VOTSOKGWSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)(C)CCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492902094 527657893 /nfs/dbraw/zinc/65/78/93/527657893.db2.gz QMALPELRFMIESZ-SREVYHEPSA-N 1 2 249.358 2.756 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815404 527733234 /nfs/dbraw/zinc/73/32/34/527733234.db2.gz WYPTVAHMOHLLGB-MEJMFZKBSA-N 1 2 247.342 2.604 20 0 BFADLO CC1(C[N@@H+]2CCCCc3ccccc32)COC1 ZINC000495029075 527929935 /nfs/dbraw/zinc/92/99/35/527929935.db2.gz NIWLMHYTXIEGPC-UHFFFAOYSA-N 1 2 231.339 2.866 20 0 BFADLO CC1(C[N@H+]2CCCCc3ccccc32)COC1 ZINC000495029075 527929936 /nfs/dbraw/zinc/92/99/36/527929936.db2.gz NIWLMHYTXIEGPC-UHFFFAOYSA-N 1 2 231.339 2.866 20 0 BFADLO CC(C)OCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494207064 527937494 /nfs/dbraw/zinc/93/74/94/527937494.db2.gz AXVRYKDCVTWHGX-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)OCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494207064 527937496 /nfs/dbraw/zinc/93/74/96/527937496.db2.gz AXVRYKDCVTWHGX-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC[C@H](CC(C)C)c1nc(C[NH2+]C)no1 ZINC000308048395 528091687 /nfs/dbraw/zinc/09/16/87/528091687.db2.gz JAXIGEMSYZRESF-SNVBAGLBSA-N 1 2 225.336 2.719 20 0 BFADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000493478694 528167941 /nfs/dbraw/zinc/16/79/41/528167941.db2.gz HXGREHRXCINUBF-WSROAFLRSA-N 1 2 247.342 2.508 20 0 BFADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493770200 528167971 /nfs/dbraw/zinc/16/79/71/528167971.db2.gz IXJVQXHJACQPGK-GUOLPTJISA-N 1 2 249.358 2.754 20 0 BFADLO CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)CC ZINC000492758325 528296627 /nfs/dbraw/zinc/29/66/27/528296627.db2.gz AAAUUHWONVZHJO-GUOLPTJISA-N 1 2 249.358 2.850 20 0 BFADLO CCCC[C@@H](CCC)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493863579 528788460 /nfs/dbraw/zinc/78/84/60/528788460.db2.gz ZPLFWGVISVSLMC-JLVNDZCYSA-N 1 2 249.358 2.898 20 0 BFADLO CCC[C@@H](CC(C)C)c1nc(C[NH2+]C)no1 ZINC000308048393 528914061 /nfs/dbraw/zinc/91/40/61/528914061.db2.gz JAXIGEMSYZRESF-JTQLQIEISA-N 1 2 225.336 2.719 20 0 BFADLO CCC[C@@H](CC)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492444992 528914099 /nfs/dbraw/zinc/91/40/99/528914099.db2.gz GNFPBLBWOVGLKK-JLVNDZCYSA-N 1 2 249.358 2.611 20 0 BFADLO CCC[C@@H]([NH2+]C/C=C\c1ccccc1)C(=O)OC ZINC000475102476 529003382 /nfs/dbraw/zinc/00/33/82/529003382.db2.gz SXGMJXJGWMTEHA-SMJHDNPOSA-N 1 2 247.338 2.631 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@H]1C[C@H]1C)C(F)(F)F ZINC000308646512 529123107 /nfs/dbraw/zinc/12/31/07/529123107.db2.gz HWPDGNKCOFWUIJ-HLTSFMKQSA-N 1 2 209.255 2.819 20 0 BFADLO CCC(CC)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348838137 535083280 /nfs/dbraw/zinc/08/32/80/535083280.db2.gz MSZOVVZBTNRSCO-UHFFFAOYSA-N 1 2 244.342 2.927 20 0 BFADLO CCCCCSc1[nH+]cnc2c1cnn2C ZINC000077902266 535112729 /nfs/dbraw/zinc/11/27/29/535112729.db2.gz NVTHEHMKUWKOTP-UHFFFAOYSA-N 1 2 236.344 2.646 20 0 BFADLO CCC[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000273312240 535411307 /nfs/dbraw/zinc/41/13/07/535411307.db2.gz NRDXFBJGUGBLSY-GFCCVEGCSA-N 1 2 219.332 2.944 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347959661 535606850 /nfs/dbraw/zinc/60/68/50/535606850.db2.gz NBAWMIWIJXBAPD-QWRGUYRKSA-N 1 2 237.347 2.803 20 0 BFADLO CCc1nc(N2[C@H](C)CC[C@@H]2C)cc(C)[nH+]1 ZINC000342541690 536126491 /nfs/dbraw/zinc/12/64/91/536126491.db2.gz FBQUZKRTFUIJRD-PHIMTYICSA-N 1 2 219.332 2.725 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CC=CCC2)[nH+]1 ZINC000892604741 582926807 /nfs/dbraw/zinc/92/68/07/582926807.db2.gz HOEPOWCFYJKHCK-QWRGUYRKSA-N 1 2 218.300 2.656 20 0 BFADLO COc1ccccc1C[NH2+][C@H](C)c1ccon1 ZINC000351581252 537048742 /nfs/dbraw/zinc/04/87/42/537048742.db2.gz NEHNQGWSKNGHOF-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000085300113 538116497 /nfs/dbraw/zinc/11/64/97/538116497.db2.gz HLLUCNDDTJYZGN-QMMMGPOBSA-N 1 2 215.243 2.611 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)c(Cl)c1 ZINC000339582710 566373504 /nfs/dbraw/zinc/37/35/04/566373504.db2.gz CTJHMFFNWBCQRI-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)c(Cl)c1 ZINC000339582710 566373507 /nfs/dbraw/zinc/37/35/07/566373507.db2.gz CTJHMFFNWBCQRI-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)CCC(C)C ZINC000893520449 583155972 /nfs/dbraw/zinc/15/59/72/583155972.db2.gz XHEKSHOLBNEAFV-LLVKDONJSA-N 1 2 236.315 2.616 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H]2CCC2(C)C)[nH+]1 ZINC000893858567 583233465 /nfs/dbraw/zinc/23/34/65/583233465.db2.gz FHYIJGXJHLKFBG-KOLCDFICSA-N 1 2 220.316 2.735 20 0 BFADLO Cc1cc2[nH+]cn(CCOC(F)F)c2cc1C ZINC000853020119 588716139 /nfs/dbraw/zinc/71/61/39/588716139.db2.gz WPZTZABMEUBXBV-UHFFFAOYSA-N 1 2 240.253 2.892 20 0 BFADLO CCOc1ccc([NH2+]C[C@@H]2CCCOC2)cc1 ZINC000111317544 588741635 /nfs/dbraw/zinc/74/16/35/588741635.db2.gz RDZSSVPXQKRMGT-LBPRGKRZSA-N 1 2 235.327 2.924 20 0 BFADLO CCc1nn(C[N@@H+]2CC[C@H](C)C2)c(=S)s1 ZINC000853492817 588745930 /nfs/dbraw/zinc/74/59/30/588745930.db2.gz BVMVVENRTVQJSO-QMMMGPOBSA-N 1 2 243.401 2.536 20 0 BFADLO CCc1nn(C[N@H+]2CC[C@H](C)C2)c(=S)s1 ZINC000853492817 588745931 /nfs/dbraw/zinc/74/59/31/588745931.db2.gz BVMVVENRTVQJSO-QMMMGPOBSA-N 1 2 243.401 2.536 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000853513943 588747083 /nfs/dbraw/zinc/74/70/83/588747083.db2.gz LHYNWUFPRVWFGC-JTQLQIEISA-N 1 2 239.750 2.856 20 0 BFADLO CC[C@H]1CC[N@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000853513943 588747084 /nfs/dbraw/zinc/74/70/84/588747084.db2.gz LHYNWUFPRVWFGC-JTQLQIEISA-N 1 2 239.750 2.856 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCCC[C@@H]1C ZINC000853658816 588753003 /nfs/dbraw/zinc/75/30/03/588753003.db2.gz QJYRQRUSFKUTGJ-NWDGAFQWSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCCC[C@H]1C ZINC000853658819 588753050 /nfs/dbraw/zinc/75/30/50/588753050.db2.gz QJYRQRUSFKUTGJ-VXGBXAGGSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCC1(C)CCC1 ZINC000853673046 588754511 /nfs/dbraw/zinc/75/45/11/588754511.db2.gz PVZFUXOTVOUYAB-NSHDSACASA-N 1 2 242.363 2.736 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOC(F)F ZINC000853692347 588756718 /nfs/dbraw/zinc/75/67/18/588756718.db2.gz SYGICALECWJWRG-UHFFFAOYSA-N 1 2 231.242 2.570 20 0 BFADLO CNc1nc(N[C@@H]2C=CCC2)[nH+]c2ccccc21 ZINC000853800887 588764049 /nfs/dbraw/zinc/76/40/49/588764049.db2.gz ZRLNFDCKFQGVGT-SNVBAGLBSA-N 1 2 240.310 2.802 20 0 BFADLO CNc1nc(N[C@H]2C=CCC2)[nH+]c2ccccc21 ZINC000853800886 588764102 /nfs/dbraw/zinc/76/41/02/588764102.db2.gz ZRLNFDCKFQGVGT-JTQLQIEISA-N 1 2 240.310 2.802 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC[C@H](C)O2)cc[nH+]1 ZINC000853851092 588766115 /nfs/dbraw/zinc/76/61/15/588766115.db2.gz ZEFSAFXBJAGRCM-NWDGAFQWSA-N 1 2 249.358 2.970 20 0 BFADLO CC(C)c1nc(NCC2CCC(O)CC2)cc[nH+]1 ZINC000853908479 588768429 /nfs/dbraw/zinc/76/84/29/588768429.db2.gz YRMMZWTUFFEVAI-UHFFFAOYSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCOC2(C)C)cc[nH+]1 ZINC000853966048 588770554 /nfs/dbraw/zinc/77/05/54/588770554.db2.gz OFLVQTMMBYISFM-LLVKDONJSA-N 1 2 249.358 2.827 20 0 BFADLO CCCC[C@@](C)(F)c1nc(C[NH2+]CC)no1 ZINC000854132124 588775889 /nfs/dbraw/zinc/77/58/89/588775889.db2.gz MKLWBOUBTYRDIU-LLVKDONJSA-N 1 2 229.299 2.554 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C(F)F)C2)cc[nH+]1 ZINC000804688771 582526276 /nfs/dbraw/zinc/52/62/76/582526276.db2.gz NRFZVTVUMUGJEG-SECBINFHSA-N 1 2 241.285 2.691 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C(F)F)C2)cc[nH+]1 ZINC000804688772 582526332 /nfs/dbraw/zinc/52/63/32/582526332.db2.gz NRFZVTVUMUGJEG-VIFPVBQESA-N 1 2 241.285 2.691 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2(C3CC3)CC2)c[nH+]1 ZINC000891371069 582673175 /nfs/dbraw/zinc/67/31/75/582673175.db2.gz UAKSGSJINJOMSK-UHFFFAOYSA-N 1 2 244.338 2.505 20 0 BFADLO Clc1cc(-n2cc[nH+]c2)nc(C2CCC2)n1 ZINC000891547618 582695990 /nfs/dbraw/zinc/69/59/90/582695990.db2.gz FCUAWTLXBXQUGE-UHFFFAOYSA-N 1 2 234.690 2.583 20 0 BFADLO CN(Cc1[nH+]ccc2c1CCCC2)CC(F)F ZINC000891812661 582725430 /nfs/dbraw/zinc/72/54/30/582725430.db2.gz QAGYVJFMKASBTA-UHFFFAOYSA-N 1 2 240.297 2.657 20 0 BFADLO CCOCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891883809 582734973 /nfs/dbraw/zinc/73/49/73/582734973.db2.gz FLXOUEGFPPNRNI-UHFFFAOYSA-N 1 2 235.331 2.501 20 0 BFADLO CCn1cc(C[NH+]2Cc3ccccc3C2)c(C)n1 ZINC000891948809 582743818 /nfs/dbraw/zinc/74/38/18/582743818.db2.gz FRZGCLWBDJNPQI-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCC/C=C\C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902886 588853232 /nfs/dbraw/zinc/85/32/32/588853232.db2.gz OLKHPFIWGMYGIJ-YVMONPNESA-N 1 2 243.310 2.938 20 0 BFADLO COCC[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892252312 582814033 /nfs/dbraw/zinc/81/40/33/582814033.db2.gz NYSLIHSBIXLZEJ-SNVBAGLBSA-N 1 2 249.358 2.889 20 0 BFADLO NC(=[NH+]OCc1ccccc1)c1cccc(F)c1 ZINC000725793697 582856775 /nfs/dbraw/zinc/85/67/75/582856775.db2.gz MNYSUEUOYHFDEN-UHFFFAOYSA-N 1 2 244.269 2.872 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@H]2CC2(C)C)[nH+]1 ZINC000892505345 582900728 /nfs/dbraw/zinc/90/07/28/582900728.db2.gz UKJQRQSITDDXMC-NXEZZACHSA-N 1 2 220.316 2.593 20 0 BFADLO CC[C@@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892580786 582919814 /nfs/dbraw/zinc/91/98/14/582919814.db2.gz MVGJANMRDHHUMV-GFCCVEGCSA-N 1 2 244.342 2.746 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892616764 582931187 /nfs/dbraw/zinc/93/11/87/582931187.db2.gz QHSZGRDPTUVNGG-DCAQKATOSA-N 1 2 222.332 2.981 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccoc1C)c1ccco1 ZINC000414360234 582934637 /nfs/dbraw/zinc/93/46/37/582934637.db2.gz GOAIQDFJMQYKQO-GFCCVEGCSA-N 1 2 235.283 2.658 20 0 BFADLO C/C(=C\C(=O)N[C@H](C)c1[nH+]ccn1C)C(C)(C)C ZINC000856278128 588866654 /nfs/dbraw/zinc/86/66/54/588866654.db2.gz XWMXCGQREZQSFR-PBQZMEPESA-N 1 2 249.358 2.590 20 0 BFADLO FC(F)C1([NH2+]Cc2cncs2)CCCC1 ZINC000394455342 582976796 /nfs/dbraw/zinc/97/67/96/582976796.db2.gz VSUHRBCKAPLVBS-UHFFFAOYSA-N 1 2 232.299 2.811 20 0 BFADLO Cc1cn2ccc(NC(=O)/C=C\C3CC3)cc2[nH+]1 ZINC000856286830 588867241 /nfs/dbraw/zinc/86/72/41/588867241.db2.gz CCWFPBZKUVCASE-PLNGDYQASA-N 1 2 241.294 2.547 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288443 588867402 /nfs/dbraw/zinc/86/74/02/588867402.db2.gz SXFGNJSXHZCCRZ-JXMROGBWSA-N 1 2 243.310 2.938 20 0 BFADLO CC[C@@](C)(CO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892839183 582993014 /nfs/dbraw/zinc/99/30/14/582993014.db2.gz JZEWMXTXXQQNNM-AWEZNQCLSA-N 1 2 249.358 2.625 20 0 BFADLO CC(C)C[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892951302 583017866 /nfs/dbraw/zinc/01/78/66/583017866.db2.gz MQOSQHRKCJCNSV-WDEREUQCSA-N 1 2 222.332 2.981 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)C2CCC2)[nH+]1 ZINC000892986096 583025761 /nfs/dbraw/zinc/02/57/61/583025761.db2.gz SVJFWZKEHPVDQB-NXEZZACHSA-N 1 2 220.316 2.735 20 0 BFADLO CCOc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1 ZINC000395162973 583046838 /nfs/dbraw/zinc/04/68/38/583046838.db2.gz RYOLTLIVXNRGRW-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO Cc1cc(N[C@H](C)C[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893127176 583053896 /nfs/dbraw/zinc/05/38/96/583053896.db2.gz MIXRRWVVIYJRES-KOLCDFICSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@H]1CN(c2nccn3c[nH+]cc23)CC(C)(C)C1 ZINC000893134474 583055027 /nfs/dbraw/zinc/05/50/27/583055027.db2.gz HNSRVPBKABIXJP-LLVKDONJSA-N 1 2 244.342 2.602 20 0 BFADLO CCc1cc(N[C@@]2(C)CCO[C@@H]2C)nc(CC)[nH+]1 ZINC000893133504 583055059 /nfs/dbraw/zinc/05/50/59/583055059.db2.gz BKSHDCWGXPFGMI-YGRLFVJLSA-N 1 2 249.358 2.581 20 0 BFADLO C[C@@H](O)c1cccc(NCC2CC(C)(C)C2)[nH+]1 ZINC000893373948 583130943 /nfs/dbraw/zinc/13/09/43/583130943.db2.gz LDPLZVRGXMXFGE-SNVBAGLBSA-N 1 2 234.343 2.983 20 0 BFADLO COc1cccc2c[nH+]c(NC[C@H](C)OC)cc21 ZINC000893396205 583135231 /nfs/dbraw/zinc/13/52/31/583135231.db2.gz DQXMGFHXKUFRFR-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO Cc1cccc2sc(N3CCCC[NH2+]3)nc21 ZINC000893832516 583228020 /nfs/dbraw/zinc/22/80/20/583228020.db2.gz HYRDYMOLESASPY-UHFFFAOYSA-N 1 2 233.340 2.710 20 0 BFADLO Cc1coc(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC000893880997 583239713 /nfs/dbraw/zinc/23/97/13/583239713.db2.gz SLBSHWQMGNUPEV-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1coc(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC000893880997 583239716 /nfs/dbraw/zinc/23/97/16/583239716.db2.gz SLBSHWQMGNUPEV-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO C[C@@H](O)c1cccc(N2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000893881804 583240891 /nfs/dbraw/zinc/24/08/91/583240891.db2.gz FGJMRNPFKRBKKM-YPMHNXCESA-N 1 2 246.354 2.761 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2c(C)noc2C)c1 ZINC000893962990 583257325 /nfs/dbraw/zinc/25/73/25/583257325.db2.gz VRCOBLXBCPAUSR-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2c(C)noc2C)c1 ZINC000893962990 583257326 /nfs/dbraw/zinc/25/73/26/583257326.db2.gz VRCOBLXBCPAUSR-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccoc1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000893950815 583259963 /nfs/dbraw/zinc/25/99/63/583259963.db2.gz ITUJBPAWFZAWBU-SNVBAGLBSA-N 1 2 232.283 2.648 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000893988053 583270639 /nfs/dbraw/zinc/27/06/39/583270639.db2.gz YBCLDGLONMZAQU-SKDRFNHKSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000893988053 583270641 /nfs/dbraw/zinc/27/06/41/583270641.db2.gz YBCLDGLONMZAQU-SKDRFNHKSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1C ZINC000894035475 583279528 /nfs/dbraw/zinc/27/95/28/583279528.db2.gz YWYNNPAXNWMXDL-VHSXEESVSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1C ZINC000894035475 583279532 /nfs/dbraw/zinc/27/95/32/583279532.db2.gz YWYNNPAXNWMXDL-VHSXEESVSA-N 1 2 221.348 2.647 20 0 BFADLO CCc1cc(N2CC[C@@H]2C2CC2)nc(CC)[nH+]1 ZINC000894036514 583279635 /nfs/dbraw/zinc/27/96/35/583279635.db2.gz IKGPOIGRYFCWOR-GFCCVEGCSA-N 1 2 231.343 2.590 20 0 BFADLO F[C@@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000894024042 583280905 /nfs/dbraw/zinc/28/09/05/583280905.db2.gz VGACFJYWJFQLJD-LLVKDONJSA-N 1 2 247.317 2.780 20 0 BFADLO Cc1ncoc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000894030197 583281602 /nfs/dbraw/zinc/28/16/02/583281602.db2.gz GKBUATRDVLAFJO-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncoc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000894030197 583281605 /nfs/dbraw/zinc/28/16/05/583281605.db2.gz GKBUATRDVLAFJO-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncoc1CNc1ccc([NH+](C)C)cc1C ZINC000894103832 583305938 /nfs/dbraw/zinc/30/59/38/583305938.db2.gz RETBPQVBKQJDFB-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO CSCCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894123136 583311755 /nfs/dbraw/zinc/31/17/55/583311755.db2.gz DVTJVUFZNRLCHT-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CSCCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894123136 583311757 /nfs/dbraw/zinc/31/17/57/583311757.db2.gz DVTJVUFZNRLCHT-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CC(C)[C@@]1(C)C[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894160838 583321955 /nfs/dbraw/zinc/32/19/55/583321955.db2.gz DQKQSGVTVTUDLO-ZKYQVNSYSA-N 1 2 234.343 2.981 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000894168207 583324298 /nfs/dbraw/zinc/32/42/98/583324298.db2.gz QULRCHDGKPQXKR-DCQANWLSSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccccn1 ZINC000726376160 583349954 /nfs/dbraw/zinc/34/99/54/583349954.db2.gz GQDADWJHGLLQKU-JTQLQIEISA-N 1 2 247.729 2.981 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2c(C)noc2C)o1 ZINC000788011814 583361398 /nfs/dbraw/zinc/36/13/98/583361398.db2.gz MQGIHXUAEVWYFM-UHFFFAOYSA-N 1 2 249.314 2.528 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2c(C)noc2C)o1 ZINC000788011814 583361399 /nfs/dbraw/zinc/36/13/99/583361399.db2.gz MQGIHXUAEVWYFM-UHFFFAOYSA-N 1 2 249.314 2.528 20 0 BFADLO CSc1ccc(N[C@H]2COCC2(C)C)[nH+]c1 ZINC000894346745 583431307 /nfs/dbraw/zinc/43/13/07/583431307.db2.gz UZITZOMJMASYEU-JTQLQIEISA-N 1 2 238.356 2.640 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2ccncc2)[nH+]1 ZINC000894448864 583462090 /nfs/dbraw/zinc/46/20/90/583462090.db2.gz KNYBABOLICQAKS-UHFFFAOYSA-N 1 2 244.342 2.560 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000894462499 583467166 /nfs/dbraw/zinc/46/71/66/583467166.db2.gz VUKRZUXVRIEGAC-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000894462499 583467168 /nfs/dbraw/zinc/46/71/68/583467168.db2.gz VUKRZUXVRIEGAC-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc([NH+](C)C)cc(C)c1NCc1c[nH]cn1 ZINC000894466211 583467968 /nfs/dbraw/zinc/46/79/68/583467968.db2.gz BDOJJRNCKGUUHR-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Cc1nnc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000894545126 583481800 /nfs/dbraw/zinc/48/18/00/583481800.db2.gz SMXNKTICTPIMGZ-LBPRGKRZSA-N 1 2 249.383 2.611 20 0 BFADLO Cc1nnc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000894545126 583481801 /nfs/dbraw/zinc/48/18/01/583481801.db2.gz SMXNKTICTPIMGZ-LBPRGKRZSA-N 1 2 249.383 2.611 20 0 BFADLO CC(C)c1c[nH]c(C[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000894600762 583491497 /nfs/dbraw/zinc/49/14/97/583491497.db2.gz MCLUSPUMFWAKEX-AOOOYVTPSA-N 1 2 207.321 2.516 20 0 BFADLO CC(C)c1c[nH]c(C[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000894600762 583491498 /nfs/dbraw/zinc/49/14/98/583491498.db2.gz MCLUSPUMFWAKEX-AOOOYVTPSA-N 1 2 207.321 2.516 20 0 BFADLO C[C@H](O)c1cccc(NCC2=CCCC2)[nH+]1 ZINC000894599469 583493584 /nfs/dbraw/zinc/49/35/84/583493584.db2.gz LWPJUFOGPQLQJS-JTQLQIEISA-N 1 2 218.300 2.657 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)cnc1F ZINC000894657870 583501093 /nfs/dbraw/zinc/50/10/93/583501093.db2.gz AOJVOJZORCXCER-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@](C)(F)C2)cnc1F ZINC000894657870 583501096 /nfs/dbraw/zinc/50/10/96/583501096.db2.gz AOJVOJZORCXCER-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)cnc1F ZINC000894657871 583501356 /nfs/dbraw/zinc/50/13/56/583501356.db2.gz AOJVOJZORCXCER-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)cnc1F ZINC000894657871 583501358 /nfs/dbraw/zinc/50/13/58/583501358.db2.gz AOJVOJZORCXCER-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@@H](O)c1cccc(NCC2CC=CC2)[nH+]1 ZINC000894714481 583511546 /nfs/dbraw/zinc/51/15/46/583511546.db2.gz BGTIKCFFGXJWCU-SNVBAGLBSA-N 1 2 218.300 2.513 20 0 BFADLO Cc1cc(F)ncc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894711295 583512995 /nfs/dbraw/zinc/51/29/95/583512995.db2.gz JHKNAACDDJLRCJ-UHFFFAOYSA-N 1 2 248.223 2.523 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)c2ccns2)[nH+]1 ZINC000894815128 583524552 /nfs/dbraw/zinc/52/45/52/583524552.db2.gz GNSJXCBNZJKTKJ-RKDXNWHRSA-N 1 2 249.339 2.765 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1c[nH]cn1 ZINC000880375575 583530220 /nfs/dbraw/zinc/53/02/20/583530220.db2.gz GWRLPEKXMYSREW-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000880375575 583530222 /nfs/dbraw/zinc/53/02/22/583530222.db2.gz GWRLPEKXMYSREW-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000880375575 583530224 /nfs/dbraw/zinc/53/02/24/583530224.db2.gz GWRLPEKXMYSREW-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000880375575 583530225 /nfs/dbraw/zinc/53/02/25/583530225.db2.gz GWRLPEKXMYSREW-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCCC23CC3)[nH+]1 ZINC000894862111 583535211 /nfs/dbraw/zinc/53/52/11/583535211.db2.gz DJMMXHCPFGULBL-CMPLNLGQSA-N 1 2 232.327 2.880 20 0 BFADLO CSc1ccc(C[N@H+](C(C)C)C2COC2)o1 ZINC000894869040 583538833 /nfs/dbraw/zinc/53/88/33/583538833.db2.gz MQRNTJLYEZWBPZ-UHFFFAOYSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@@H+](C(C)C)C2COC2)o1 ZINC000894869040 583538834 /nfs/dbraw/zinc/53/88/34/583538834.db2.gz MQRNTJLYEZWBPZ-UHFFFAOYSA-N 1 2 241.356 2.611 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1ccc(Cl)cn1)C2 ZINC000894976024 583562785 /nfs/dbraw/zinc/56/27/85/583562785.db2.gz HIZIYLTYKWUQCQ-UHFFFAOYSA-N 1 2 240.709 2.669 20 0 BFADLO Cc1ccc(CNc2cccc([C@H](C)O)[nH+]2)o1 ZINC000894979724 583563472 /nfs/dbraw/zinc/56/34/72/583563472.db2.gz ZAUZYWNRDUPTES-JTQLQIEISA-N 1 2 232.283 2.648 20 0 BFADLO Cc1n[nH]c(C[NH+]2CC(C)(CC(F)F)C2)c1C ZINC000895078422 583581851 /nfs/dbraw/zinc/58/18/51/583581851.db2.gz PFXROELDDCZPFK-UHFFFAOYSA-N 1 2 243.301 2.504 20 0 BFADLO CC[C@@H](C)[C@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882407912 583615817 /nfs/dbraw/zinc/61/58/17/583615817.db2.gz GMVFEHJQUSXZOJ-SKDRFNHKSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1ncoc1CNc1c[nH+]cc2c1CCCC2 ZINC000895227624 583629067 /nfs/dbraw/zinc/62/90/67/583629067.db2.gz YKGGZGNSWKWRDH-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+]1Cc2ccncc2C1 ZINC000857876905 588918694 /nfs/dbraw/zinc/91/86/94/588918694.db2.gz IBOUXISEEPVNHF-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+]1Cc2ccncc2C1 ZINC000857876905 588918696 /nfs/dbraw/zinc/91/86/96/588918696.db2.gz IBOUXISEEPVNHF-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO Fc1cccc(/C=C\C[NH+]2CC3(C2)CCCO3)c1 ZINC000895393495 583664626 /nfs/dbraw/zinc/66/46/26/583664626.db2.gz KZQGLGVDCALLBH-DJWKRKHSSA-N 1 2 247.313 2.704 20 0 BFADLO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000895431421 583670203 /nfs/dbraw/zinc/67/02/03/583670203.db2.gz MWEXLYGIFLJLGC-GMTAPVOTSA-N 1 2 233.302 2.531 20 0 BFADLO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000895431421 583670206 /nfs/dbraw/zinc/67/02/06/583670206.db2.gz MWEXLYGIFLJLGC-GMTAPVOTSA-N 1 2 233.302 2.531 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000895432613 583671356 /nfs/dbraw/zinc/67/13/56/583671356.db2.gz OWSUOPXPECVYFQ-ZJUUUORDSA-N 1 2 201.260 2.682 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1CC=CCC1 ZINC000895432613 583671357 /nfs/dbraw/zinc/67/13/57/583671357.db2.gz OWSUOPXPECVYFQ-ZJUUUORDSA-N 1 2 201.260 2.682 20 0 BFADLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccns1 ZINC000895452613 583677072 /nfs/dbraw/zinc/67/70/72/583677072.db2.gz QGVUHHPSMMFXJA-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccns1 ZINC000895452613 583677073 /nfs/dbraw/zinc/67/70/73/583677073.db2.gz QGVUHHPSMMFXJA-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]c1 ZINC000895537746 583687222 /nfs/dbraw/zinc/68/72/22/583687222.db2.gz UMUTUTNNDXSCSX-AOBWVBKOSA-N 1 2 232.327 2.591 20 0 BFADLO CCC[C@H](CNc1c[nH+]c(C)c(C)c1)OC ZINC000895646681 583698934 /nfs/dbraw/zinc/69/89/34/583698934.db2.gz XPHADEWQEJZPSC-CYBMUJFWSA-N 1 2 222.332 2.925 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2ccc(C)o2)o1 ZINC000895770817 583724808 /nfs/dbraw/zinc/72/48/08/583724808.db2.gz RQDRVBGPKHWSDU-UHFFFAOYSA-N 1 2 235.283 2.870 20 0 BFADLO CC(C)(C)c1coc(C[NH+]2CC(C)(C)C2)n1 ZINC000895825768 583734852 /nfs/dbraw/zinc/73/48/52/583734852.db2.gz MGLFUVXJOGLKRG-UHFFFAOYSA-N 1 2 222.332 2.814 20 0 BFADLO CC1(C)C[NH+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895825774 583734924 /nfs/dbraw/zinc/73/49/24/583734924.db2.gz MKVTXBCFKSSIAB-UHFFFAOYSA-N 1 2 225.719 2.887 20 0 BFADLO Cc1cc(NC(C)(C)/C=C/Cl)nc[nH+]1 ZINC000895914373 583746284 /nfs/dbraw/zinc/74/62/84/583746284.db2.gz JGHUWWRUHBWNRO-SNAWJCMRSA-N 1 2 211.696 2.728 20 0 BFADLO COCC1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC000895970790 583756362 /nfs/dbraw/zinc/75/63/62/583756362.db2.gz GPYMPMCPLVCAMO-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000896021834 583763760 /nfs/dbraw/zinc/76/37/60/583763760.db2.gz PFZHHHYKYQNZLN-UHFFFAOYSA-N 1 2 232.283 2.912 20 0 BFADLO CCc1nc(NC[C@@H]2C[C@H]2C(F)(F)F)cc[nH+]1 ZINC000896087351 583769313 /nfs/dbraw/zinc/76/93/13/583769313.db2.gz FJFPAJVHVATAQB-JGVFFNPUSA-N 1 2 245.248 2.649 20 0 BFADLO C[C@H](O)c1ccc(NCCC2CC=CC2)[nH+]c1 ZINC000896093741 583771697 /nfs/dbraw/zinc/77/16/97/583771697.db2.gz FWZCXMSEGNSTCW-NSHDSACASA-N 1 2 232.327 2.903 20 0 BFADLO CCc1nc(N[C@H]2CCS[C@@H](C)C2)cc[nH+]1 ZINC000896247504 583784889 /nfs/dbraw/zinc/78/48/89/583784889.db2.gz QYPKJNBTPUTHFV-UWVGGRQHSA-N 1 2 237.372 2.735 20 0 BFADLO Cc1cc(N2CCC(F)(C3CC3)CC2)nc[nH+]1 ZINC000896238794 583785439 /nfs/dbraw/zinc/78/54/39/583785439.db2.gz FYUBUDFUZRQEHV-UHFFFAOYSA-N 1 2 235.306 2.504 20 0 BFADLO Cc1nc(N2CCC(F)(C3CC3)CC2)cc[nH+]1 ZINC000896239394 583785589 /nfs/dbraw/zinc/78/55/89/583785589.db2.gz JXAPBIRTIQNHGN-UHFFFAOYSA-N 1 2 235.306 2.504 20 0 BFADLO CCc1cc(N[C@H]2CCS[C@H](C)C2)nc[nH+]1 ZINC000896248191 583785997 /nfs/dbraw/zinc/78/59/97/583785997.db2.gz XBCVZHZKTRGZAN-KOLCDFICSA-N 1 2 237.372 2.735 20 0 BFADLO CCC1(c2noc(C3([NH+](C)C)CC3)n2)CCCC1 ZINC000896269124 583787871 /nfs/dbraw/zinc/78/78/71/583787871.db2.gz CYASBWCXBYUUIU-UHFFFAOYSA-N 1 2 249.358 2.842 20 0 BFADLO Cc1cc(N2C[C@H](C3CC3)C[C@@H]2C2CC2)nc[nH+]1 ZINC000896369341 583797464 /nfs/dbraw/zinc/79/74/64/583797464.db2.gz ICNNXFXCZMHDHD-ZIAGYGMSSA-N 1 2 243.354 2.800 20 0 BFADLO Cc1cn(C(C)(C)C(=O)Nc2ccsc2)c[nH+]1 ZINC000896416991 583799211 /nfs/dbraw/zinc/79/92/11/583799211.db2.gz JHWXSQXCZTXUPI-UHFFFAOYSA-N 1 2 249.339 2.627 20 0 BFADLO Fc1c[nH+]ccc1N[C@@H]1CCCc2cccnc21 ZINC000896411762 583800609 /nfs/dbraw/zinc/80/06/09/583800609.db2.gz FSGGORLQOCFKHC-CYBMUJFWSA-N 1 2 243.285 2.527 20 0 BFADLO CCc1ccc(C[N@@H+]2CCn3cccc3C2)o1 ZINC000896762196 583831221 /nfs/dbraw/zinc/83/12/21/583831221.db2.gz ZPVQEYBGJASAHQ-UHFFFAOYSA-N 1 2 230.311 2.659 20 0 BFADLO CCc1ccc(C[N@H+]2CCn3cccc3C2)o1 ZINC000896762196 583831223 /nfs/dbraw/zinc/83/12/23/583831223.db2.gz ZPVQEYBGJASAHQ-UHFFFAOYSA-N 1 2 230.311 2.659 20 0 BFADLO C[C@H](O)c1ccc(NCC(C)(C)C2CC2)[nH+]c1 ZINC000896783928 583832970 /nfs/dbraw/zinc/83/29/70/583832970.db2.gz RMXWWHLDYDWGKY-JTQLQIEISA-N 1 2 234.343 2.983 20 0 BFADLO Cc1nc(NCC[C@H]2CCC(C)(C)CO2)cc[nH+]1 ZINC000896791246 583834287 /nfs/dbraw/zinc/83/42/87/583834287.db2.gz XPPGTUSNNVAEFR-GFCCVEGCSA-N 1 2 249.358 2.792 20 0 BFADLO COc1cc(C[NH2+]C(CF)CF)ccc1Cl ZINC000858170789 588936792 /nfs/dbraw/zinc/93/67/92/588936792.db2.gz OWUXJNNFPFBEPB-UHFFFAOYSA-N 1 2 249.688 2.746 20 0 BFADLO Cc1cc(N[C@@H]2CCSC(C)(C)C2)nc[nH+]1 ZINC000897058167 583875268 /nfs/dbraw/zinc/87/52/68/583875268.db2.gz MXYUZCNBSPQRFQ-SNVBAGLBSA-N 1 2 237.372 2.871 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000897081377 583877731 /nfs/dbraw/zinc/87/77/31/583877731.db2.gz AJPLEZYDTWESSW-FPMFFAJLSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cc(N(Cc2ccoc2)C2CC2)nc[nH+]1 ZINC000897109243 583881113 /nfs/dbraw/zinc/88/11/13/583881113.db2.gz KDISUTYYBWZFRO-UHFFFAOYSA-N 1 2 229.283 2.547 20 0 BFADLO CO[C@@H]1CC[C@@H]1N(C)c1[nH+]ccc2ccccc21 ZINC000897142846 583884104 /nfs/dbraw/zinc/88/41/04/583884104.db2.gz TZSXTNIBEOXSFI-UONOGXRCSA-N 1 2 242.322 2.848 20 0 BFADLO Cc1cc(N2CC[C@H]2C2CCCC2)nc[nH+]1 ZINC000897155023 583886094 /nfs/dbraw/zinc/88/60/94/583886094.db2.gz AAPGOJCCZCILBE-LBPRGKRZSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CC[C@@H]2C2CCCC2)nc[nH+]1 ZINC000897155022 583886181 /nfs/dbraw/zinc/88/61/81/583886181.db2.gz AAPGOJCCZCILBE-GFCCVEGCSA-N 1 2 217.316 2.554 20 0 BFADLO CCc1nc(N2CC[C@H]2C2CCCC2)cc[nH+]1 ZINC000897156542 583886809 /nfs/dbraw/zinc/88/68/09/583886809.db2.gz OAUZZLXJQGPLMW-LBPRGKRZSA-N 1 2 231.343 2.808 20 0 BFADLO CC(C)(C)c1coc(CNc2cc[nH+]cc2F)n1 ZINC000897172549 583889365 /nfs/dbraw/zinc/88/93/65/583889365.db2.gz NNHWNRFRWUPTEL-UHFFFAOYSA-N 1 2 249.289 2.540 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000897289332 583910962 /nfs/dbraw/zinc/91/09/62/583910962.db2.gz RIGLOZUJFZOOEG-JQWIXIFHSA-N 1 2 242.326 2.645 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)[C@H]1C ZINC000888131479 583968725 /nfs/dbraw/zinc/96/87/25/583968725.db2.gz ONKUWYWSETXASK-MWLCHTKSSA-N 1 2 233.315 2.571 20 0 BFADLO CC(C)c1c[nH+]cc(N[C@@H]2CCCOC2)c1 ZINC000897707389 584041502 /nfs/dbraw/zinc/04/15/02/584041502.db2.gz MUFPPRBCFLDZPS-GFCCVEGCSA-N 1 2 220.316 2.796 20 0 BFADLO CC(C)c1cncc(NCc2[nH+]ccn2C)c1 ZINC000897707109 584041608 /nfs/dbraw/zinc/04/16/08/584041608.db2.gz HUEGDVQSMPAMRD-UHFFFAOYSA-N 1 2 230.315 2.551 20 0 BFADLO CC(C)c1c[nH+]cc(NCc2cn[nH]c2)c1 ZINC000897707032 584041686 /nfs/dbraw/zinc/04/16/86/584041686.db2.gz FXQLCAZQUAVMIC-UHFFFAOYSA-N 1 2 216.288 2.540 20 0 BFADLO CC(C)c1c[nH+]cc(NCC2=CCCOC2)c1 ZINC000897707636 584042240 /nfs/dbraw/zinc/04/22/40/584042240.db2.gz VRSUZHOEUWAUQF-UHFFFAOYSA-N 1 2 232.327 2.964 20 0 BFADLO Cc1[nH]c(CNc2cnn(C3CCC3)c2)[nH+]c1C ZINC000897878770 584057459 /nfs/dbraw/zinc/05/74/59/584057459.db2.gz IYGMQCSLCSKCAM-UHFFFAOYSA-N 1 2 245.330 2.560 20 0 BFADLO COc1ccc[nH+]c1NCCc1cnc(C)s1 ZINC000858453832 588956639 /nfs/dbraw/zinc/95/66/39/588956639.db2.gz ZQKIMHWDJOLPFI-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO Cl/C=C/C[NH2+]Cc1nc(Cl)cs1 ZINC000898430148 584134168 /nfs/dbraw/zinc/13/41/68/584134168.db2.gz VQMLRTCQZFSEFK-OWOJBTEDSA-N 1 2 223.128 2.639 20 0 BFADLO C[C@@H]1C[C@H]1c1csc(Cn2cc[nH+]c2)n1 ZINC000899242300 584185897 /nfs/dbraw/zinc/18/58/97/584185897.db2.gz TYUYILFHLACKLG-RKDXNWHRSA-N 1 2 219.313 2.511 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116386868 588978750 /nfs/dbraw/zinc/97/87/50/588978750.db2.gz XQDJZDDABLVGCX-OCCSQVGLSA-N 1 2 249.354 2.549 20 0 BFADLO CCn1c[nH+]cc1/C=C\c1nc(Cl)ncc1C ZINC000901501356 584454758 /nfs/dbraw/zinc/45/47/58/584454758.db2.gz FUWCTSQZQNAMJY-PLNGDYQASA-N 1 2 248.717 2.825 20 0 BFADLO CCOc1ccc([NH2+]C[C@H]2C[C@@]23CCOC3)cc1 ZINC000901947700 584506965 /nfs/dbraw/zinc/50/69/65/584506965.db2.gz POJUVBDYAMWJBQ-IUODEOHRSA-N 1 2 247.338 2.924 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C)n2)cnc1Cl ZINC000902125410 584529281 /nfs/dbraw/zinc/52/92/81/584529281.db2.gz RXLOPFPIOAKIFZ-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1[nH]c(CNc2noc3c2CCCC3)[nH+]c1C ZINC000902278840 584546929 /nfs/dbraw/zinc/54/69/29/584546929.db2.gz XSFIZGDHYBKZNW-UHFFFAOYSA-N 1 2 246.314 2.505 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccnc(F)c2)o1 ZINC000859063764 588993989 /nfs/dbraw/zinc/99/39/89/588993989.db2.gz ORBSWYBZENQUCB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccnc(F)c2)o1 ZINC000859063764 588993991 /nfs/dbraw/zinc/99/39/91/588993991.db2.gz ORBSWYBZENQUCB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccnc(F)c1 ZINC000859059918 588995415 /nfs/dbraw/zinc/99/54/15/588995415.db2.gz KYFIIOSJHWWMSI-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccnc(F)c1 ZINC000859059918 588995416 /nfs/dbraw/zinc/99/54/16/588995416.db2.gz KYFIIOSJHWWMSI-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO CCn1c[nH+]c(CNc2cc(C)ccc2F)c1 ZINC000902428729 584594909 /nfs/dbraw/zinc/59/49/09/584594909.db2.gz HDQSLXVOLVDGKB-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCC1CC[NH+](Cc2cc(Cl)n(C)n2)CC1 ZINC000859082364 588998703 /nfs/dbraw/zinc/99/87/03/588998703.db2.gz WVYHEUWIZCMKRS-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)cc2F)c1 ZINC000902462653 584612552 /nfs/dbraw/zinc/61/25/52/584612552.db2.gz WXHDBPJMOADNGQ-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCc1onc(C)c1NCc1[nH+]ccn1C1CC1 ZINC000902562972 584634584 /nfs/dbraw/zinc/63/45/84/584634584.db2.gz OPTBVFHIPLCMHV-UHFFFAOYSA-N 1 2 246.314 2.689 20 0 BFADLO Cc1cccc(CCSCCOC2CC2)[nH+]1 ZINC000902579893 584638556 /nfs/dbraw/zinc/63/85/56/584638556.db2.gz GKGFXKLVJBKEDA-UHFFFAOYSA-N 1 2 237.368 2.845 20 0 BFADLO c1c[nH+]c(C2CC2)c(NC[C@@H]2CCCOC2)c1 ZINC000902695401 584656703 /nfs/dbraw/zinc/65/67/03/584656703.db2.gz SMRWKDAASNSTLY-NSHDSACASA-N 1 2 232.327 2.798 20 0 BFADLO Cn1c[nH+]c2cc(OCC3CCC3)ccc21 ZINC000902781543 584670440 /nfs/dbraw/zinc/67/04/40/584670440.db2.gz YJIOVGXBJIIUSX-UHFFFAOYSA-N 1 2 216.284 2.752 20 0 BFADLO COc1ccc2[nH+]ccc(OC[C@H](C)OC)c2c1 ZINC000902900421 584693624 /nfs/dbraw/zinc/69/36/24/584693624.db2.gz HCQVLVDNJLALBH-JTQLQIEISA-N 1 2 247.294 2.657 20 0 BFADLO Fc1cccc(F)c1CC[N@H+]1CCC[C@@H](F)C1 ZINC000902993725 584711941 /nfs/dbraw/zinc/71/19/41/584711941.db2.gz WOFDZRPCGOXENR-SNVBAGLBSA-N 1 2 243.272 2.941 20 0 BFADLO Fc1cccc(F)c1CC[N@@H+]1CCC[C@@H](F)C1 ZINC000902993725 584711943 /nfs/dbraw/zinc/71/19/43/584711943.db2.gz WOFDZRPCGOXENR-SNVBAGLBSA-N 1 2 243.272 2.941 20 0 BFADLO Cc1cc(N[C@@H]2CCCc3c[nH]nc32)c[nH+]c1C ZINC000903090134 584725850 /nfs/dbraw/zinc/72/58/50/584725850.db2.gz ZJUGNCNUCFURNU-CYBMUJFWSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1ccc(N[C@@H]2CCOC23CCCC3)c[nH+]1 ZINC000903139758 584730945 /nfs/dbraw/zinc/73/09/45/584730945.db2.gz SMGOSRAARIBBRJ-CYBMUJFWSA-N 1 2 232.327 2.904 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccoc1 ZINC000903325452 584748152 /nfs/dbraw/zinc/74/81/52/584748152.db2.gz HAENTYVBVOCBHG-ZWNOBZJWSA-N 1 2 243.310 2.872 20 0 BFADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]C/C=C/Cl ZINC000903445865 584770039 /nfs/dbraw/zinc/77/00/39/584770039.db2.gz WOPHQQUFHURUKE-HLPWOGIRSA-N 1 2 241.693 2.800 20 0 BFADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1cocn1 ZINC000903948977 584830459 /nfs/dbraw/zinc/83/04/59/584830459.db2.gz XDCHMHXUNSOYPI-ZDUSSCGKSA-N 1 2 243.310 2.710 20 0 BFADLO CC(C)c1ccc(NCc2ccc(N)[nH+]c2)cn1 ZINC000903987389 584836163 /nfs/dbraw/zinc/83/61/63/584836163.db2.gz FAPCPFCUDVYYQQ-UHFFFAOYSA-N 1 2 242.326 2.794 20 0 BFADLO CC[NH2+]Cc1noc([C@]2(C)CCC[C@@H]2CC)n1 ZINC000904075758 584839958 /nfs/dbraw/zinc/83/99/58/584839958.db2.gz QABKESHUPDUMQV-GXFFZTMASA-N 1 2 237.347 2.647 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc(C2CCCC2)n1 ZINC000904272316 584858673 /nfs/dbraw/zinc/85/86/73/584858673.db2.gz BXNGRUQSOKGACR-UHFFFAOYSA-N 1 2 244.298 2.680 20 0 BFADLO CCCCCc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272870 584858820 /nfs/dbraw/zinc/85/88/20/584858820.db2.gz KJIZWYLEYOQRHQ-UHFFFAOYSA-N 1 2 246.314 2.755 20 0 BFADLO Oc1cccc2ccc(/C=C\c3[nH]cc[nH+]3)nc12 ZINC000731156780 584922777 /nfs/dbraw/zinc/92/27/77/584922777.db2.gz LTEYGFJQLOQABO-SREVYHEPSA-N 1 2 237.262 2.834 20 0 BFADLO CCCCCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000731867806 584930645 /nfs/dbraw/zinc/93/06/45/584930645.db2.gz WKMTWPCOSDSVQJ-JTQLQIEISA-N 1 2 237.347 2.807 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)c(C)o1 ZINC000769464762 584966195 /nfs/dbraw/zinc/96/61/95/584966195.db2.gz ABEMPKSJCMQHOP-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)c(C)o1 ZINC000769464762 584966196 /nfs/dbraw/zinc/96/61/96/584966196.db2.gz ABEMPKSJCMQHOP-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CCc1cc(NCCNc2ccccc2)nc[nH+]1 ZINC000736294168 584995850 /nfs/dbraw/zinc/99/58/50/584995850.db2.gz DWKIQMVAHWNILE-UHFFFAOYSA-N 1 2 242.326 2.563 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736619353 585007727 /nfs/dbraw/zinc/00/77/27/585007727.db2.gz LKNBQRZOAXNXCC-SSDOTTSWSA-N 1 2 213.218 2.761 20 0 BFADLO CC[C@@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736619353 585007728 /nfs/dbraw/zinc/00/77/28/585007728.db2.gz LKNBQRZOAXNXCC-SSDOTTSWSA-N 1 2 213.218 2.761 20 0 BFADLO COc1cc(C)c([NH2+]C2CCOCC2)cc1C ZINC000774484511 585031418 /nfs/dbraw/zinc/03/14/18/585031418.db2.gz ABDFLNRRDJCHDP-UHFFFAOYSA-N 1 2 235.327 2.903 20 0 BFADLO C[C@@]1(C(=O)OCCCn2cc[nH+]c2)CC=CCC1 ZINC000838182398 585048849 /nfs/dbraw/zinc/04/88/49/585048849.db2.gz GPQJHKHSJKLIPE-CQSZACIVSA-N 1 2 248.326 2.563 20 0 BFADLO CCC/C=C\C(=O)NCc1[nH+]ccn1CC(C)C ZINC000741711611 585116852 /nfs/dbraw/zinc/11/68/52/585116852.db2.gz WFSQOYRKAXUPIS-SREVYHEPSA-N 1 2 249.358 2.512 20 0 BFADLO CCCCCC[C@@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000742074978 585121954 /nfs/dbraw/zinc/12/19/54/585121954.db2.gz VKJRZEFUDVWOGY-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1cccc2c1CCN(c1cc[nH+]c(C)n1)C2 ZINC000742402823 585125741 /nfs/dbraw/zinc/12/57/41/585125741.db2.gz YOYCQSRIYMROLV-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO CC(=CC(=O)Nc1cc[nH+]c(C)c1)C(C)(C)C ZINC000742664012 585129530 /nfs/dbraw/zinc/12/95/30/585129530.db2.gz BMGHSFYVLSXSLM-NTMALXAHSA-N 1 2 232.327 2.743 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000746457282 585168475 /nfs/dbraw/zinc/16/84/75/585168475.db2.gz NRJSIDFFVIFXJE-TZMCWYRMSA-N 1 2 247.338 2.775 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000746457282 585168476 /nfs/dbraw/zinc/16/84/76/585168476.db2.gz NRJSIDFFVIFXJE-TZMCWYRMSA-N 1 2 247.338 2.775 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1CCCCO1 ZINC000746502038 585169036 /nfs/dbraw/zinc/16/90/36/585169036.db2.gz BVHUNUWPGGTXTN-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)C[C@H]1CCCCO1 ZINC000746502038 585169037 /nfs/dbraw/zinc/16/90/37/585169037.db2.gz BVHUNUWPGGTXTN-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO COc1ccccc1C[N@H+](CCF)C1CC1 ZINC000746503516 585169324 /nfs/dbraw/zinc/16/93/24/585169324.db2.gz SYMHPJQUCYBKIP-UHFFFAOYSA-N 1 2 223.291 2.629 20 0 BFADLO COc1ccccc1C[N@@H+](CCF)C1CC1 ZINC000746503516 585169325 /nfs/dbraw/zinc/16/93/25/585169325.db2.gz SYMHPJQUCYBKIP-UHFFFAOYSA-N 1 2 223.291 2.629 20 0 BFADLO CCC(=CC(=O)Nc1cc(C)[nH+]cc1C)CC ZINC000747113695 585175115 /nfs/dbraw/zinc/17/51/15/585175115.db2.gz ZQNZZNWVMSJFHR-UHFFFAOYSA-N 1 2 232.327 2.805 20 0 BFADLO CCC[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000748123789 585187669 /nfs/dbraw/zinc/18/76/69/585187669.db2.gz YWVHJAOLZVAYOX-SNVBAGLBSA-N 1 2 232.283 2.680 20 0 BFADLO CCC/C(C)=C\C(=O)Nc1c[nH+]ccc1OC ZINC000748207122 585189245 /nfs/dbraw/zinc/18/92/45/585189245.db2.gz FLWRKTYBMRSSFA-NTMALXAHSA-N 1 2 234.299 2.775 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000754127103 585279139 /nfs/dbraw/zinc/27/91/39/585279139.db2.gz JJEUAMVTNKVSJF-RYUDHWBXSA-N 1 2 249.354 2.904 20 0 BFADLO CCCCO[NH+]=C(N)c1ccccc1C ZINC000754280537 585281904 /nfs/dbraw/zinc/28/19/04/585281904.db2.gz UXGHKHATQLFJCH-UHFFFAOYSA-N 1 2 206.289 2.642 20 0 BFADLO COc1c(C)c[nH+]c(CN2CCC2(C)C)c1C ZINC000754658973 585288812 /nfs/dbraw/zinc/28/88/12/585288812.db2.gz MLULSBLMJBCMBW-UHFFFAOYSA-N 1 2 234.343 2.691 20 0 BFADLO Clc1cc2c(nc[nH+]c2NCc2ccco2)[nH]1 ZINC000754674341 585289286 /nfs/dbraw/zinc/28/92/86/585289286.db2.gz ZVSQLNPKQGLEQN-UHFFFAOYSA-N 1 2 248.673 2.816 20 0 BFADLO CS/C=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000755772618 585307011 /nfs/dbraw/zinc/30/70/11/585307011.db2.gz ZIMPMRXLGBHBGM-VOTSOKGWSA-N 1 2 222.313 2.514 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC[C@H]1CCC[C@@H](C)C1 ZINC000756886541 585324597 /nfs/dbraw/zinc/32/45/97/585324597.db2.gz PYSPHCUXSQLJET-IJLUTSLNSA-N 1 2 242.363 2.736 20 0 BFADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccoc2)C1 ZINC000756996617 585326165 /nfs/dbraw/zinc/32/61/65/585326165.db2.gz QRAJCLRKFAUPFS-HNNXBMFYSA-N 1 2 242.322 2.556 20 0 BFADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccoc2)C1 ZINC000756996617 585326166 /nfs/dbraw/zinc/32/61/66/585326166.db2.gz QRAJCLRKFAUPFS-HNNXBMFYSA-N 1 2 242.322 2.556 20 0 BFADLO Cc1nc(C[NH2+]C(C)(C)c2ccc(F)cc2)no1 ZINC000103483028 585330782 /nfs/dbraw/zinc/33/07/82/585330782.db2.gz LIWUBZBHIOLFDK-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO CCC1(C(=O)OCc2cc(OC)cc(C)[nH+]2)CC1 ZINC000757714598 585344725 /nfs/dbraw/zinc/34/47/25/585344725.db2.gz PNIKECHVQDHJTH-UHFFFAOYSA-N 1 2 249.310 2.632 20 0 BFADLO CC(C)=CC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000758038943 585348518 /nfs/dbraw/zinc/34/85/18/585348518.db2.gz HPJYBPOQYADYPK-UHFFFAOYSA-N 1 2 244.294 2.652 20 0 BFADLO Cc1sc(/C=C/c2[nH]cc[nH+]2)cc1C=O ZINC000760265395 585388029 /nfs/dbraw/zinc/38/80/29/585388029.db2.gz NPNWYLXYYTUZEB-NSCUHMNNSA-N 1 2 218.281 2.763 20 0 BFADLO NC(=[NH+]OC/C(Cl)=C\Cl)c1ccccc1 ZINC000763164552 585443884 /nfs/dbraw/zinc/44/38/84/585443884.db2.gz WNLRMOXITSVSHU-RMKNXTFCSA-N 1 2 245.109 2.852 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C[C@H](CC)c1ccccc1 ZINC000763271625 585445654 /nfs/dbraw/zinc/44/56/54/585445654.db2.gz LVSKSFSHMFJVLM-OLZOCXBDSA-N 1 2 249.354 2.721 20 0 BFADLO CC[C@H](C)CO[NH+]=C(N)Cc1cccs1 ZINC000764550984 585467783 /nfs/dbraw/zinc/46/77/83/585467783.db2.gz AYKWUTOQRJSYNO-VIFPVBQESA-N 1 2 226.345 2.835 20 0 BFADLO Cc1nc2c(s1)[C@H]([NH2+]Cc1ccon1)CCC2 ZINC000766422024 585502321 /nfs/dbraw/zinc/50/23/21/585502321.db2.gz ZVQZRYXEOMBWBF-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1ccccc1C1CC1 ZINC000769317412 585553675 /nfs/dbraw/zinc/55/36/75/585553675.db2.gz PBZQRSBABBJFRN-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1C1CC1 ZINC000769317412 585553676 /nfs/dbraw/zinc/55/36/76/585553676.db2.gz PBZQRSBABBJFRN-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCCCCC(=O)OCc1cccc2[nH+]ccn21 ZINC000770732782 585580855 /nfs/dbraw/zinc/58/08/55/585580855.db2.gz IQDKXZBGWZFDPW-UHFFFAOYSA-N 1 2 246.310 2.958 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C=C1CCCC1 ZINC000805421065 585591656 /nfs/dbraw/zinc/59/16/56/585591656.db2.gz BKCHFCRRJMZQIB-UHFFFAOYSA-N 1 2 247.294 2.634 20 0 BFADLO CC(C)(C)/C=C\C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000771499706 585595604 /nfs/dbraw/zinc/59/56/04/585595604.db2.gz SIDNRLYDAYWOEQ-ZADCQDASSA-N 1 2 247.342 2.676 20 0 BFADLO C/C=C/C=C/C(=O)OCc1ccc(C)[nH+]c1C ZINC000771887879 585603622 /nfs/dbraw/zinc/60/36/22/585603622.db2.gz ATBFALIDAVGJDH-YTXTXJHMSA-N 1 2 231.295 2.874 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000772182802 585609347 /nfs/dbraw/zinc/60/93/47/585609347.db2.gz WASWUZDVFNPZKT-KBPBESRZSA-N 1 2 245.322 2.788 20 0 BFADLO Cc1ccc(NC(=O)COC2(C)CCC2)c(C)[nH+]1 ZINC000773076204 585630880 /nfs/dbraw/zinc/63/08/80/585630880.db2.gz LEIXPJALFBEXGP-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO CC[C@@H](CSC)[N@H+](C)CC(F)(F)C(F)F ZINC000773709557 585642747 /nfs/dbraw/zinc/64/27/47/585642747.db2.gz HCGQIJACGJUHOI-ZETCQYMHSA-N 1 2 247.301 2.960 20 0 BFADLO CC[C@@H](CSC)[N@@H+](C)CC(F)(F)C(F)F ZINC000773709557 585642748 /nfs/dbraw/zinc/64/27/48/585642748.db2.gz HCGQIJACGJUHOI-ZETCQYMHSA-N 1 2 247.301 2.960 20 0 BFADLO C[C@H](CC(C)(C)C)C(=O)OCc1c[nH+]cn1C ZINC000774140030 585651444 /nfs/dbraw/zinc/65/14/44/585651444.db2.gz QTXIWMQHOMDXGJ-SNVBAGLBSA-N 1 2 238.331 2.536 20 0 BFADLO CC/C(C)=C(\C)C(=O)OCc1c[nH+]ccc1OC ZINC000805528429 585669209 /nfs/dbraw/zinc/66/92/09/585669209.db2.gz SXUYNRFUENPRNI-ZHACJKMWSA-N 1 2 249.310 2.880 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@H](C)c1nccn1C ZINC000775396462 585677305 /nfs/dbraw/zinc/67/73/05/585677305.db2.gz ZNTPYZIKZRHROG-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2c[nH+]c[nH]2)c1 ZINC000776099815 585690006 /nfs/dbraw/zinc/69/00/06/585690006.db2.gz GCOSRCHDEJZCDM-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO Cc1ccc(C)c(N(C)Cc2c[nH]c[nH+]2)c1 ZINC000776099815 585690007 /nfs/dbraw/zinc/69/00/07/585690007.db2.gz GCOSRCHDEJZCDM-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO C[C@@H](CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000777453635 585712463 /nfs/dbraw/zinc/71/24/63/585712463.db2.gz QFBUZJYTSBIWJT-CMPLNLGQSA-N 1 2 247.342 2.509 20 0 BFADLO CCOc1ccc([NH2+]CCC(C)(C)O)c(C)c1 ZINC000777601085 585716738 /nfs/dbraw/zinc/71/67/38/585716738.db2.gz OIHGNOZDAQYMIL-UHFFFAOYSA-N 1 2 237.343 2.967 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1F ZINC000778233367 585729062 /nfs/dbraw/zinc/72/90/62/585729062.db2.gz FOZCYJLXCWELTI-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1F ZINC000778233367 585729063 /nfs/dbraw/zinc/72/90/63/585729063.db2.gz FOZCYJLXCWELTI-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO CCCOc1ccc([NH2+][C@H](C)CCO)c(C)c1 ZINC000779421042 585754595 /nfs/dbraw/zinc/75/45/95/585754595.db2.gz BOORJSBWBDTDHV-GFCCVEGCSA-N 1 2 237.343 2.967 20 0 BFADLO CC(=O)c1c(C)cccc1NCc1c[nH+]cn1C ZINC000780307813 585777592 /nfs/dbraw/zinc/77/75/92/585777592.db2.gz PWQPKQQNHDBVSW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000780740802 585784120 /nfs/dbraw/zinc/78/41/20/585784120.db2.gz HDYNMKVEDOIIRH-AAEUAGOBSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000780739886 585784173 /nfs/dbraw/zinc/78/41/73/585784173.db2.gz MONKEMWEVLFPPI-QWHCGFSZSA-N 1 2 248.370 2.980 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000780739886 585784174 /nfs/dbraw/zinc/78/41/74/585784174.db2.gz MONKEMWEVLFPPI-QWHCGFSZSA-N 1 2 248.370 2.980 20 0 BFADLO Cc1cc(C(=O)OCc2ccc(C)[nH+]c2C)co1 ZINC000781377694 585795327 /nfs/dbraw/zinc/79/53/27/585795327.db2.gz MOPWUCGWUWFQQB-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OCC1CCC1 ZINC000783174406 585828792 /nfs/dbraw/zinc/82/87/92/585828792.db2.gz SSYYYQCNUCISRN-UHFFFAOYSA-N 1 2 236.290 2.667 20 0 BFADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000783318396 585833675 /nfs/dbraw/zinc/83/36/75/585833675.db2.gz VPDRBXVFSVSCCQ-YGRLFVJLSA-N 1 2 233.311 2.675 20 0 BFADLO Cc1ccc(NC(=O)[C@H](F)C(C)C)c(C)[nH+]1 ZINC000784132379 585850702 /nfs/dbraw/zinc/85/07/02/585850702.db2.gz SIMHXQDHSNBHHO-LLVKDONJSA-N 1 2 224.279 2.631 20 0 BFADLO C/C=C(/C=C/C(=O)OCCCn1cc[nH+]c1)CC ZINC000784212333 585852749 /nfs/dbraw/zinc/85/27/49/585852749.db2.gz OMLSAVSBBNGYHK-ORXUOFMQSA-N 1 2 248.326 2.729 20 0 BFADLO O=C(OCCCn1cc[nH+]c1)C1=CCCCCC1 ZINC000784800503 585866377 /nfs/dbraw/zinc/86/63/77/585866377.db2.gz HWBOKVLZBUUGSO-UHFFFAOYSA-N 1 2 248.326 2.707 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785422019 585873419 /nfs/dbraw/zinc/87/34/19/585873419.db2.gz YVBNCKAQUDENLI-DWOQACPDSA-N 1 2 235.331 2.723 20 0 BFADLO CCC(C)=C(C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785422019 585873420 /nfs/dbraw/zinc/87/34/20/585873420.db2.gz YVBNCKAQUDENLI-DWOQACPDSA-N 1 2 235.331 2.723 20 0 BFADLO C[C@H]([NH2+]c1ccc(OCCO)cc1)[C@H]1CC1(C)C ZINC000785492333 585874417 /nfs/dbraw/zinc/87/44/17/585874417.db2.gz FADRKVZNWRBLOT-SMDDNHRTSA-N 1 2 249.354 2.904 20 0 BFADLO OC1(CC[NH2+]c2ccc(OC(F)F)cc2)CC1 ZINC000785520227 585875214 /nfs/dbraw/zinc/87/52/14/585875214.db2.gz UWSPMYNHVRYXCE-UHFFFAOYSA-N 1 2 243.253 2.615 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000787266794 585904270 /nfs/dbraw/zinc/90/42/70/585904270.db2.gz GPDHNIGATUIATD-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000787266794 585904271 /nfs/dbraw/zinc/90/42/71/585904271.db2.gz GPDHNIGATUIATD-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO COc1cc(C)ccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000787758368 585915369 /nfs/dbraw/zinc/91/53/69/585915369.db2.gz FIDNZKIXQAKEKW-JTQLQIEISA-N 1 2 231.299 2.900 20 0 BFADLO C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ncc[nH]1 ZINC000787770540 585915665 /nfs/dbraw/zinc/91/56/65/585915665.db2.gz SJBIVAKNWUGQII-IHWYPQMZSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ncc[nH]1 ZINC000787770540 585915666 /nfs/dbraw/zinc/91/56/66/585915666.db2.gz SJBIVAKNWUGQII-IHWYPQMZSA-N 1 2 245.301 2.694 20 0 BFADLO Cc1cnc(NCc2cn3cc(C)ccc3[nH+]2)o1 ZINC000788867126 585931659 /nfs/dbraw/zinc/93/16/59/585931659.db2.gz KONAWNJMBRMYBL-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO C/C=C(/CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000789663833 585948117 /nfs/dbraw/zinc/94/81/17/585948117.db2.gz WYXCFTXVXNCXRE-WDZFZDKYSA-N 1 2 247.342 2.751 20 0 BFADLO Clc1ncccc1COc1cc[nH+]cc1 ZINC000789740868 585949237 /nfs/dbraw/zinc/94/92/37/585949237.db2.gz GHHBCSMYLJSHQF-UHFFFAOYSA-N 1 2 220.659 2.709 20 0 BFADLO CCC[C@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791807720 585988333 /nfs/dbraw/zinc/98/83/33/585988333.db2.gz BBLGUISESAKOOX-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO Nc1cc(COC(=O)C2CCCCCC2)cc[nH+]1 ZINC000791823742 585988720 /nfs/dbraw/zinc/98/87/20/585988720.db2.gz HEYBPDHCBWYXNS-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO C[C@@H]1CC[C@@H](CC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792025310 585993905 /nfs/dbraw/zinc/99/39/05/585993905.db2.gz SLULYQMDJSQYCJ-GHMZBOCLSA-N 1 2 248.326 2.533 20 0 BFADLO CCCC1(C(=O)OCc2cc[nH+]c(N)c2)CCC1 ZINC000792023391 585993943 /nfs/dbraw/zinc/99/39/43/585993943.db2.gz HRXLTAZYXHATDX-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO C[C@H]1CC[C@H](CC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792025314 585994027 /nfs/dbraw/zinc/99/40/27/585994027.db2.gz SLULYQMDJSQYCJ-QWRGUYRKSA-N 1 2 248.326 2.533 20 0 BFADLO C/C=C(/C=C\C(=O)OCc1cc[nH+]c(N)c1)CC ZINC000792035884 585994333 /nfs/dbraw/zinc/99/43/33/585994333.db2.gz VBWXEFZRMNMYPO-YOYJXUCXSA-N 1 2 246.310 2.620 20 0 BFADLO C/C=C(/C=C/C(=O)OCc1cc[nH+]c(N)c1)CC ZINC000792035883 585994413 /nfs/dbraw/zinc/99/44/13/585994413.db2.gz VBWXEFZRMNMYPO-BCTKWJPASA-N 1 2 246.310 2.620 20 0 BFADLO C[C@H]1CCC[C@H]1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792141183 585996467 /nfs/dbraw/zinc/99/64/67/585996467.db2.gz LZOXQGHFFRLISF-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1cc(C)ccn1 ZINC000792208051 585998169 /nfs/dbraw/zinc/99/81/69/585998169.db2.gz CJMDIPRDRLORPM-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1cc(C)ccn1 ZINC000792208051 585998170 /nfs/dbraw/zinc/99/81/70/585998170.db2.gz CJMDIPRDRLORPM-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[Si](C)(C)C[N@@H+]1C[C@@H](CO)Cc2ccccc21 ZINC000794580528 586044994 /nfs/dbraw/zinc/04/49/94/586044994.db2.gz VBQFHDHEEQWTHN-LBPRGKRZSA-N 1 2 249.430 2.535 20 0 BFADLO C[Si](C)(C)C[N@H+]1C[C@@H](CO)Cc2ccccc21 ZINC000794580528 586044995 /nfs/dbraw/zinc/04/49/95/586044995.db2.gz VBQFHDHEEQWTHN-LBPRGKRZSA-N 1 2 249.430 2.535 20 0 BFADLO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(F)cn1 ZINC000794833033 586049827 /nfs/dbraw/zinc/04/98/27/586049827.db2.gz JYPBESLXOLWSPA-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(F)cn1 ZINC000794833624 586049829 /nfs/dbraw/zinc/04/98/29/586049829.db2.gz JYPBESLXOLWSPA-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OCCCCF ZINC000795196665 586071034 /nfs/dbraw/zinc/07/10/34/586071034.db2.gz DRUYBJNFDUAMTI-UHFFFAOYSA-N 1 2 224.279 2.591 20 0 BFADLO NC(=[NH+]OCCCCF)c1ccc(F)c(F)c1 ZINC000795205251 586071896 /nfs/dbraw/zinc/07/18/96/586071896.db2.gz PZQIVTAXIKRSIA-UHFFFAOYSA-N 1 2 246.232 2.561 20 0 BFADLO CCOC1CC(C[NH2+]c2ccc3c(c2)CCO3)C1 ZINC000795253136 586073723 /nfs/dbraw/zinc/07/37/23/586073723.db2.gz NTSRACPZBOPLGO-UHFFFAOYSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@H]([NH2+]Cc1ccoc1)c1c(F)cncc1F ZINC000796527333 586106051 /nfs/dbraw/zinc/10/60/51/586106051.db2.gz RMYVOCAHPTZISV-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO FC1(F)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000796539733 586106361 /nfs/dbraw/zinc/10/63/61/586106361.db2.gz DKACVBVLSIJGQM-UHFFFAOYSA-N 1 2 242.269 2.783 20 0 BFADLO Cc1c(Cl)cnn1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000797417168 586126561 /nfs/dbraw/zinc/12/65/61/586126561.db2.gz MYRRAZNWEWAHMP-SECBINFHSA-N 1 2 239.750 2.700 20 0 BFADLO Cc1c(Cl)cnn1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000797417168 586126562 /nfs/dbraw/zinc/12/65/62/586126562.db2.gz MYRRAZNWEWAHMP-SECBINFHSA-N 1 2 239.750 2.700 20 0 BFADLO CC[N@H+](CC[C@H](C)O)c1ccc(C)cc1C ZINC000798195075 586139305 /nfs/dbraw/zinc/13/93/05/586139305.db2.gz CRILPGPKDXOJMP-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@H](C)O)c1ccc(C)cc1C ZINC000798195075 586139306 /nfs/dbraw/zinc/13/93/06/586139306.db2.gz CRILPGPKDXOJMP-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO OCCOc1ccc([NH2+][C@H]2CCC23CCC3)cc1 ZINC000800487243 586223017 /nfs/dbraw/zinc/22/30/17/586223017.db2.gz ANAQVRGETSEZIX-AWEZNQCLSA-N 1 2 247.338 2.802 20 0 BFADLO Fc1cccc2c1C[N@H+](C/C=C\Cl)CCO2 ZINC000801582628 586265229 /nfs/dbraw/zinc/26/52/29/586265229.db2.gz CBPWIWOFWRTZOB-DJWKRKHSSA-N 1 2 241.693 2.773 20 0 BFADLO Fc1cccc2c1C[N@@H+](C/C=C\Cl)CCO2 ZINC000801582628 586265231 /nfs/dbraw/zinc/26/52/31/586265231.db2.gz CBPWIWOFWRTZOB-DJWKRKHSSA-N 1 2 241.693 2.773 20 0 BFADLO CC(C)(C)C(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859476962 589040060 /nfs/dbraw/zinc/04/00/60/589040060.db2.gz BEUJEAAPMUOFNE-UHFFFAOYSA-N 1 2 247.338 2.713 20 0 BFADLO CC(C)(C)C(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859476962 589040062 /nfs/dbraw/zinc/04/00/62/589040062.db2.gz BEUJEAAPMUOFNE-UHFFFAOYSA-N 1 2 247.338 2.713 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)CCO)cc1 ZINC000806156599 586405803 /nfs/dbraw/zinc/40/58/03/586405803.db2.gz GHEKOZBWBVPOEQ-SWLSCSKDSA-N 1 2 248.370 2.716 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OCCO)c(C)c1 ZINC000806159133 586406112 /nfs/dbraw/zinc/40/61/12/586406112.db2.gz YMXNCIBZPZKABW-GXTWGEPZSA-N 1 2 249.354 2.967 20 0 BFADLO Cl/C=C(/Cl)C[NH+](C1CC1)C1CC1 ZINC000859627906 589050369 /nfs/dbraw/zinc/05/03/69/589050369.db2.gz QBZDEMZNPYNWNT-FNORWQNLSA-N 1 2 206.116 2.932 20 0 BFADLO CC[NH2+]Cc1noc(CC2(C)CCCCC2)n1 ZINC000843144677 586430310 /nfs/dbraw/zinc/43/03/10/586430310.db2.gz GXRCWNFMYMKNEI-UHFFFAOYSA-N 1 2 237.347 2.692 20 0 BFADLO F[C@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000840103729 586447011 /nfs/dbraw/zinc/44/70/11/586447011.db2.gz OJVWKIRTMYVEGN-AWEZNQCLSA-N 1 2 245.301 2.551 20 0 BFADLO F[C@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000840103729 586447013 /nfs/dbraw/zinc/44/70/13/586447013.db2.gz OJVWKIRTMYVEGN-AWEZNQCLSA-N 1 2 245.301 2.551 20 0 BFADLO CC(C)=CCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000808255656 586468753 /nfs/dbraw/zinc/46/87/53/586468753.db2.gz VOGRJSGXEHEFLN-UHFFFAOYSA-N 1 2 240.253 2.778 20 0 BFADLO CCc1ccc(NCc2cn(C)c[nH+]2)cc1F ZINC000808400670 586470704 /nfs/dbraw/zinc/47/07/04/586470704.db2.gz UDZDVDOVCOZLSQ-UHFFFAOYSA-N 1 2 233.290 2.734 20 0 BFADLO C[C@H]1CC(C)(C)C[N@@H+]1Cn1ncsc1=S ZINC000840183838 586511783 /nfs/dbraw/zinc/51/17/83/586511783.db2.gz OGPXLEYPIZEHGT-QMMMGPOBSA-N 1 2 243.401 2.752 20 0 BFADLO C[C@H]1CC(C)(C)C[N@H+]1Cn1ncsc1=S ZINC000840183838 586511785 /nfs/dbraw/zinc/51/17/85/586511785.db2.gz OGPXLEYPIZEHGT-QMMMGPOBSA-N 1 2 243.401 2.752 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OC3COC3)cc2)[C@H]1C ZINC000813868655 586608327 /nfs/dbraw/zinc/60/83/27/586608327.db2.gz IWQHDBZCBGWTNS-ZETOZRRWSA-N 1 2 247.338 2.921 20 0 BFADLO Cc1cc([NH2+][C@@H]2C[C@H](C)[C@H]2C)ccc1OCCO ZINC000813867196 586608445 /nfs/dbraw/zinc/60/84/45/586608445.db2.gz NKJOZOCBEHTOOY-ZKYQVNSYSA-N 1 2 249.354 2.823 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OCCCO)cc2)[C@H]1C ZINC000814169311 586615212 /nfs/dbraw/zinc/61/52/12/586615212.db2.gz DTZUMPIPJNEFNA-XUJVJEKNSA-N 1 2 249.354 2.904 20 0 BFADLO c1cc2nsnc2c(COc2cc[nH+]cc2)c1 ZINC000814266237 586621060 /nfs/dbraw/zinc/62/10/60/586621060.db2.gz ZQOSMGDIWLVLFT-UHFFFAOYSA-N 1 2 243.291 2.665 20 0 BFADLO CCc1cc(NCc2cc(Cl)ccn2)nc[nH+]1 ZINC000814366544 586621405 /nfs/dbraw/zinc/62/14/05/586621405.db2.gz LZPRKUOLHALTOA-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO Cc1sccc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000816600711 586743732 /nfs/dbraw/zinc/74/37/32/586743732.db2.gz FSDWENSMQSHZMB-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO Cc1sccc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000816600711 586743735 /nfs/dbraw/zinc/74/37/35/586743735.db2.gz FSDWENSMQSHZMB-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO COc1ccc(C[N@H+](C)CCF)c(Cl)c1 ZINC000816639900 586746962 /nfs/dbraw/zinc/74/69/62/586746962.db2.gz KUBGYYDCZVIGOJ-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO COc1ccc(C[N@@H+](C)CCF)c(Cl)c1 ZINC000816639900 586746965 /nfs/dbraw/zinc/74/69/65/586746965.db2.gz KUBGYYDCZVIGOJ-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO C[C@@H]1C[N@H+](Cc2occc2Br)[C@@H]1C ZINC000816648888 586748074 /nfs/dbraw/zinc/74/80/74/586748074.db2.gz QJQGMZRWFMZZJM-HTQZYQBOSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2occc2Br)[C@@H]1C ZINC000816648888 586748075 /nfs/dbraw/zinc/74/80/75/586748075.db2.gz QJQGMZRWFMZZJM-HTQZYQBOSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@H]1C[N@H+](Cc2c(F)ccc(O)c2F)[C@H]1C ZINC000816648219 586750579 /nfs/dbraw/zinc/75/05/79/586750579.db2.gz GXOSMGXIQPYJQX-YUMQZZPRSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)[C@H]1C ZINC000816648219 586750580 /nfs/dbraw/zinc/75/05/80/586750580.db2.gz GXOSMGXIQPYJQX-YUMQZZPRSA-N 1 2 227.254 2.511 20 0 BFADLO CC[C@@H](C)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000817813765 586829405 /nfs/dbraw/zinc/82/94/05/586829405.db2.gz LNRXGQSYNAVNIM-LLVKDONJSA-N 1 2 246.310 2.732 20 0 BFADLO C[C@@H](CC(C)(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819783214 586994714 /nfs/dbraw/zinc/99/47/14/586994714.db2.gz RKWSCVPPQQNNCH-DTWKUNHWSA-N 1 2 242.388 2.666 20 0 BFADLO Fc1ccc2c(c1)OCC[N@@H+](C/C=C/Cl)C2 ZINC000860170352 589085481 /nfs/dbraw/zinc/08/54/81/589085481.db2.gz SKHVJHZRIHTLEC-DAFODLJHSA-N 1 2 241.693 2.773 20 0 BFADLO Fc1ccc2c(c1)OCC[N@H+](C/C=C/Cl)C2 ZINC000860170352 589085482 /nfs/dbraw/zinc/08/54/82/589085482.db2.gz SKHVJHZRIHTLEC-DAFODLJHSA-N 1 2 241.693 2.773 20 0 BFADLO CC(C)(C)SCC[N@@H+]1Cc2ccncc2C1 ZINC000821263294 587104299 /nfs/dbraw/zinc/10/42/99/587104299.db2.gz YBYADCWFWXWZBQ-UHFFFAOYSA-N 1 2 236.384 2.929 20 0 BFADLO CC(C)(C)SCC[N@H+]1Cc2ccncc2C1 ZINC000821263294 587104301 /nfs/dbraw/zinc/10/43/01/587104301.db2.gz YBYADCWFWXWZBQ-UHFFFAOYSA-N 1 2 236.384 2.929 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCC1(C)CC1 ZINC000821309037 587106255 /nfs/dbraw/zinc/10/62/55/587106255.db2.gz PYNDVUQMCSXUMU-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCCCC(=O)OCCc1cn2ccccc2[nH+]1 ZINC000821594516 587131612 /nfs/dbraw/zinc/13/16/12/587131612.db2.gz RBRBLFXCAMURLP-UHFFFAOYSA-N 1 2 246.310 2.610 20 0 BFADLO CC(C)(NC(=O)C[C@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000821758764 587136886 /nfs/dbraw/zinc/13/68/86/587136886.db2.gz RIYFUMMJRJQBET-NSHDSACASA-N 1 2 247.342 2.507 20 0 BFADLO CC(C)(NC(=O)C[C@@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000821758763 587137190 /nfs/dbraw/zinc/13/71/90/587137190.db2.gz RIYFUMMJRJQBET-LLVKDONJSA-N 1 2 247.342 2.507 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)CCC2(C)CC2)c2[nH+]ccn21 ZINC000821786208 587137939 /nfs/dbraw/zinc/13/79/39/587137939.db2.gz JYVOKXQONYYNGO-WDEREUQCSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2(C)CC=CC2)c[nH+]1 ZINC000822017365 587149228 /nfs/dbraw/zinc/14/92/28/587149228.db2.gz MFQYYCDYLATRBR-UHFFFAOYSA-N 1 2 244.338 2.671 20 0 BFADLO CC[C@@H](C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822319931 587162253 /nfs/dbraw/zinc/16/22/53/587162253.db2.gz PGZXNBPLPFDRRM-SECBINFHSA-N 1 2 238.331 2.797 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000823390911 587219782 /nfs/dbraw/zinc/21/97/82/587219782.db2.gz PAPCPJFNWORYII-SDDRHHMPSA-N 1 2 249.358 2.831 20 0 BFADLO CCC[C@@H](CC(C)C)C(=O)NC1=[NH+]CCS1 ZINC000823671309 587235760 /nfs/dbraw/zinc/23/57/60/587235760.db2.gz KWMHRHFKHJXJPC-JTQLQIEISA-N 1 2 242.388 2.668 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccnc(Cl)c1F ZINC000824313985 587265765 /nfs/dbraw/zinc/26/57/65/587265765.db2.gz FHVBQIFZVBNRGY-HTQZYQBOSA-N 1 2 228.698 2.857 20 0 BFADLO Fc1c(C[NH+]2CC(C3CC3)C2)ccnc1Cl ZINC000824423644 587270107 /nfs/dbraw/zinc/27/01/07/587270107.db2.gz SGTMNYWFDWWMRU-UHFFFAOYSA-N 1 2 240.709 2.716 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(F)F ZINC000824510588 587272764 /nfs/dbraw/zinc/27/27/64/587272764.db2.gz WXPYVPMSNTUTKW-QMMMGPOBSA-N 1 2 234.677 2.868 20 0 BFADLO Cc1csc(C[NH2+]Cc2cc(C)oc2C)n1 ZINC000117386368 589094021 /nfs/dbraw/zinc/09/40/21/589094021.db2.gz RECLABFGQGNLIN-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO CNc1ccc(-c2cccc(OC)c2F)c[nH+]1 ZINC000825013054 587298524 /nfs/dbraw/zinc/29/85/24/587298524.db2.gz ABPAJPIZZKYQCD-UHFFFAOYSA-N 1 2 232.258 2.938 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(C)o1 ZINC000825017118 587298890 /nfs/dbraw/zinc/29/88/90/587298890.db2.gz MAZSTWCOKCEYDL-TVQRCGJNSA-N 1 2 245.326 2.889 20 0 BFADLO CC(C(=O)Nc1ccc[nH+]c1N(C)C)=C1CCC1 ZINC000825384686 587317861 /nfs/dbraw/zinc/31/78/61/587317861.db2.gz TVWXUVSXQZTYRB-UHFFFAOYSA-N 1 2 245.326 2.587 20 0 BFADLO Fc1c(C[NH+]2CC3(CC3)C2)cccc1OC1CC1 ZINC000826029638 587348879 /nfs/dbraw/zinc/34/88/79/587348879.db2.gz HXOWTOITZRHMTB-UHFFFAOYSA-N 1 2 247.313 2.963 20 0 BFADLO CCCC[C@](C)(F)C(=O)Nc1cc[nH+]cc1C ZINC000826765902 587361715 /nfs/dbraw/zinc/36/17/15/587361715.db2.gz ICEXXQJMUBPNAW-ZDUSSCGKSA-N 1 2 238.306 2.669 20 0 BFADLO CCCC[C@@](C)(F)C(=O)Nc1cc[nH+]c(C)c1 ZINC000827388859 587379487 /nfs/dbraw/zinc/37/94/87/587379487.db2.gz JMTHNORMFMFWTF-CYBMUJFWSA-N 1 2 238.306 2.669 20 0 BFADLO CON(CCc1cc[nH+]cc1C)CC(C)(C)C ZINC000828530984 587448256 /nfs/dbraw/zinc/44/82/56/587448256.db2.gz FXNYEHNBBGPDHI-UHFFFAOYSA-N 1 2 236.359 2.842 20 0 BFADLO CCc1nc(CNc2cc[nH+]c(C3CC3)n2)co1 ZINC000829184244 587486756 /nfs/dbraw/zinc/48/67/56/587486756.db2.gz YMPYUHGABJONMI-UHFFFAOYSA-N 1 2 244.298 2.517 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000830211798 587541188 /nfs/dbraw/zinc/54/11/88/587541188.db2.gz CUSNCXDMGMTPEE-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000830211798 587541190 /nfs/dbraw/zinc/54/11/90/587541190.db2.gz CUSNCXDMGMTPEE-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO CCCCC[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830499456 587554663 /nfs/dbraw/zinc/55/46/63/587554663.db2.gz WOPZHWINDQAYGX-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CC1(C)CC[C@@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831601063 587622568 /nfs/dbraw/zinc/62/25/68/587622568.db2.gz UAJRLAWJPCETRI-GHMZBOCLSA-N 1 2 247.342 2.509 20 0 BFADLO COC[C@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000832615817 587669678 /nfs/dbraw/zinc/66/96/78/587669678.db2.gz GDRYCWHJYKGGEO-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO COC[C@H]1CCCC[N@H+]1C/C(Cl)=C\Cl ZINC000832615817 587669680 /nfs/dbraw/zinc/66/96/80/587669680.db2.gz GDRYCWHJYKGGEO-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CCC[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000833277671 587703924 /nfs/dbraw/zinc/70/39/24/587703924.db2.gz FVCUYAZIZLFDOY-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271314 587704227 /nfs/dbraw/zinc/70/42/27/587704227.db2.gz GKFBSHFGNWJBBR-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1ccc([N@@H+](C)CCCc2cnn(C)c2)cc1 ZINC000101561923 587761010 /nfs/dbraw/zinc/76/10/10/587761010.db2.gz MHLDQTHGZINASO-UHFFFAOYSA-N 1 2 243.354 2.798 20 0 BFADLO Cc1ccc([N@H+](C)CCCc2cnn(C)c2)cc1 ZINC000101561923 587761011 /nfs/dbraw/zinc/76/10/11/587761011.db2.gz MHLDQTHGZINASO-UHFFFAOYSA-N 1 2 243.354 2.798 20 0 BFADLO CCCCC[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834662695 587763119 /nfs/dbraw/zinc/76/31/19/587763119.db2.gz CAWQGLKSPXYMOQ-AWEZNQCLSA-N 1 2 248.326 2.514 20 0 BFADLO CCC1C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000835075227 587780254 /nfs/dbraw/zinc/78/02/54/587780254.db2.gz QQNMEHDPJWECNS-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO CC/C(C)=C/C(=O)OCc1cccc2[nH+]ccn21 ZINC000835236046 587791559 /nfs/dbraw/zinc/79/15/59/587791559.db2.gz GUYXOSORDBCNTB-PKNBQFBNSA-N 1 2 244.294 2.734 20 0 BFADLO CCC/C(C)=C/C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836953634 587843642 /nfs/dbraw/zinc/84/36/42/587843642.db2.gz GKVXBRJTMNMYNN-ALQBXHKQSA-N 1 2 247.342 2.752 20 0 BFADLO NC(=[NH+]OCC1CC(F)(F)C1)c1ccccc1 ZINC000842013658 587989026 /nfs/dbraw/zinc/98/90/26/587989026.db2.gz RNTFULSUSPMRNE-UHFFFAOYSA-N 1 2 240.253 2.578 20 0 BFADLO C[N@@H+](CCC(C)(C)C)Cn1ncsc1=S ZINC000842630625 588047189 /nfs/dbraw/zinc/04/71/89/588047189.db2.gz FXENPHOESVKOME-UHFFFAOYSA-N 1 2 245.417 3.000 20 0 BFADLO C[N@H+](CCC(C)(C)C)Cn1ncsc1=S ZINC000842630625 588047186 /nfs/dbraw/zinc/04/71/86/588047186.db2.gz FXENPHOESVKOME-UHFFFAOYSA-N 1 2 245.417 3.000 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCC1=CCCC1 ZINC000842647643 588048588 /nfs/dbraw/zinc/04/85/88/588048588.db2.gz BFPLWBXZUKBHNR-UHFFFAOYSA-N 1 2 236.340 2.899 20 0 BFADLO Cc1c[nH+]cc(NCc2ccnn2CC(C)C)c1 ZINC000842693239 588052986 /nfs/dbraw/zinc/05/29/86/588052986.db2.gz OADDJKCZNUORPX-UHFFFAOYSA-N 1 2 244.342 2.855 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)OCc2c[nH+]cn2C)CC1 ZINC000842726149 588055972 /nfs/dbraw/zinc/05/59/72/588055972.db2.gz UETPJHJSOCAJOT-LBPRGKRZSA-N 1 2 248.326 2.600 20 0 BFADLO CC[NH2+]Cc1noc(C2(C)CCCCCC2)n1 ZINC000843144956 588086978 /nfs/dbraw/zinc/08/69/78/588086978.db2.gz POCPWTKGDCUCDN-UHFFFAOYSA-N 1 2 237.347 2.791 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1snnc1C ZINC000844237622 588176652 /nfs/dbraw/zinc/17/66/52/588176652.db2.gz XRFQCENQNZYICE-UHFFFAOYSA-N 1 2 249.339 2.691 20 0 BFADLO C[C@@H](CC(=O)O[C@H]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC000844470690 588198308 /nfs/dbraw/zinc/19/83/08/588198308.db2.gz QJHLNEHVCSHGJC-WOPDTQHZSA-N 1 2 236.315 2.566 20 0 BFADLO COCc1cc[nH+]c(NCc2cnc(C)s2)c1 ZINC000844708823 588214760 /nfs/dbraw/zinc/21/47/60/588214760.db2.gz TXIOECNQOLOCPU-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO CCCCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845281555 588225543 /nfs/dbraw/zinc/22/55/43/588225543.db2.gz PJEITSRETWVORR-LLVKDONJSA-N 1 2 224.304 2.568 20 0 BFADLO C[C@H]1CC[C@H](C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000845423058 588229362 /nfs/dbraw/zinc/22/93/62/588229362.db2.gz KYALBDLJJZMWSZ-UMSPYCQHSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845492764 588230625 /nfs/dbraw/zinc/23/06/25/588230625.db2.gz HVEQFUOQNZRLKF-NWDGAFQWSA-N 1 2 238.331 2.956 20 0 BFADLO CCC/C=C/COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845574551 588233707 /nfs/dbraw/zinc/23/37/07/588233707.db2.gz IKYHDLFJQPMWFE-BTDICHCPSA-N 1 2 236.315 2.734 20 0 BFADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@@H]1CCCOC1 ZINC000845670335 588240499 /nfs/dbraw/zinc/24/04/99/588240499.db2.gz RHLQUTUAFGDDHR-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO FC1(F)C[C@]12CCCN(c1cccc[nH+]1)C2 ZINC000845744146 588243499 /nfs/dbraw/zinc/24/34/99/588243499.db2.gz OAJORHHHEAFOMA-NSHDSACASA-N 1 2 224.254 2.707 20 0 BFADLO COCc1cc[nH+]c(NC2CC(C(F)F)C2)c1 ZINC000846116538 588257766 /nfs/dbraw/zinc/25/77/66/588257766.db2.gz DHFSMFLKSPZUPL-UHFFFAOYSA-N 1 2 242.269 2.684 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846747173 588284413 /nfs/dbraw/zinc/28/44/13/588284413.db2.gz AYCLFXIOQLZMEI-MNOVXSKESA-N 1 2 235.327 2.847 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC[C@H]3CCOC3)ccc2O1 ZINC000846749584 588284773 /nfs/dbraw/zinc/28/47/73/588284773.db2.gz GLIGVVHBVGPULQ-NEPJUHHUSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1CCOC1 ZINC000846755311 588285895 /nfs/dbraw/zinc/28/58/95/588285895.db2.gz GQLAUVOLXFGBAN-IJLUTSLNSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cnsn2)C1 ZINC000846775041 588287220 /nfs/dbraw/zinc/28/72/20/588287220.db2.gz VRESIVWSZQEUCM-KOLCDFICSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cnsn2)C1 ZINC000846775041 588287221 /nfs/dbraw/zinc/28/72/21/588287221.db2.gz VRESIVWSZQEUCM-KOLCDFICSA-N 1 2 225.361 2.549 20 0 BFADLO CCC[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846815637 588290654 /nfs/dbraw/zinc/29/06/54/588290654.db2.gz QHJAETLLTDCIFS-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO CCC[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846815637 588290655 /nfs/dbraw/zinc/29/06/55/588290655.db2.gz QHJAETLLTDCIFS-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO CCC1(CC)CC[N@H+](Cc2cnsn2)C1 ZINC000846815196 588290935 /nfs/dbraw/zinc/29/09/35/588290935.db2.gz YKJHAALERIFCHD-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO CCC1(CC)CC[N@@H+](Cc2cnsn2)C1 ZINC000846815196 588290936 /nfs/dbraw/zinc/29/09/36/588290936.db2.gz YKJHAALERIFCHD-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnsn2)CC12CCC2 ZINC000846842594 588292582 /nfs/dbraw/zinc/29/25/82/588292582.db2.gz WDVKKQOFSNWMIP-SNVBAGLBSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnsn2)CC12CCC2 ZINC000846842594 588292583 /nfs/dbraw/zinc/29/25/83/588292583.db2.gz WDVKKQOFSNWMIP-SNVBAGLBSA-N 1 2 237.372 2.550 20 0 BFADLO CCC1(CC)CC[NH+](Cc2cnsn2)CC1 ZINC000846861707 588294176 /nfs/dbraw/zinc/29/41/76/588294176.db2.gz LTFZOPGVLLBVHY-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO c1nsnc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000846866270 588294223 /nfs/dbraw/zinc/29/42/23/588294223.db2.gz DSNNNEGIIJXJCK-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO c1nsnc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000846866270 588294224 /nfs/dbraw/zinc/29/42/24/588294224.db2.gz DSNNNEGIIJXJCK-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)[C@H]1C ZINC000846922026 588296937 /nfs/dbraw/zinc/29/69/37/588296937.db2.gz BZAQHHMITPHLTR-SFYZADRCSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)[C@H]1C ZINC000846922026 588296938 /nfs/dbraw/zinc/29/69/38/588296938.db2.gz BZAQHHMITPHLTR-SFYZADRCSA-N 1 2 228.698 2.714 20 0 BFADLO CC1(C)CC[C@@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC000846959355 588298667 /nfs/dbraw/zinc/29/86/67/588298667.db2.gz HDRDKIIBBQDZIZ-ZDUSSCGKSA-N 1 2 247.338 2.508 20 0 BFADLO CCCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC000847170832 588308565 /nfs/dbraw/zinc/30/85/65/588308565.db2.gz DTGMDZCJBROAFQ-UHFFFAOYSA-N 1 2 245.326 2.595 20 0 BFADLO CCC[C@@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782186 588413504 /nfs/dbraw/zinc/41/35/04/588413504.db2.gz RTRZMBFUSRSXAE-LLVKDONJSA-N 1 2 246.310 2.988 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CCC1(C)C ZINC000850070601 588517806 /nfs/dbraw/zinc/51/78/06/588517806.db2.gz VCIJKTKIFIKURP-NSHDSACASA-N 1 2 249.310 2.570 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000850263250 588533020 /nfs/dbraw/zinc/53/30/20/588533020.db2.gz HXXUEPSWHMJCIX-WDNDVIMCSA-N 1 2 245.322 2.788 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2ccncc2s1 ZINC000850313185 588536215 /nfs/dbraw/zinc/53/62/15/588536215.db2.gz RGWGOKDYTJYNID-UHFFFAOYSA-N 1 2 242.294 2.694 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)nc1)c1cscn1 ZINC000850359721 588540176 /nfs/dbraw/zinc/54/01/76/588540176.db2.gz PBRYRRNUJAIRDU-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2COC3(CCC3)C2)cc1 ZINC000850455977 588547878 /nfs/dbraw/zinc/54/78/78/588547878.db2.gz XSQLPHCPRKIXCQ-ZDUSSCGKSA-N 1 2 246.354 2.876 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2COC3(CCC3)C2)c1 ZINC000850452104 588548206 /nfs/dbraw/zinc/54/82/06/588548206.db2.gz MILRPENFRZSWSI-LBPRGKRZSA-N 1 2 218.300 2.514 20 0 BFADLO COc1ccc([NH2+][C@H]2CCCC23CC3)cc1CO ZINC000850457287 588548226 /nfs/dbraw/zinc/54/82/26/588548226.db2.gz GVUVHIOLESLSOK-AWEZNQCLSA-N 1 2 247.338 2.932 20 0 BFADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ncccn1 ZINC000850552778 588559626 /nfs/dbraw/zinc/55/96/26/588559626.db2.gz PQABTZZAVMFVFA-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cnon1 ZINC000851727312 588618468 /nfs/dbraw/zinc/61/84/68/588618468.db2.gz JVKXLYMBKAPFRI-NSHDSACASA-N 1 2 249.339 2.641 20 0 BFADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnon1 ZINC000851727312 588618469 /nfs/dbraw/zinc/61/84/69/588618469.db2.gz JVKXLYMBKAPFRI-NSHDSACASA-N 1 2 249.339 2.641 20 0 BFADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC=C(Cl)Cl ZINC000851729845 588618893 /nfs/dbraw/zinc/61/88/93/588618893.db2.gz QLULJXBTHFJWNP-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1CO[C@H](C)C[N@H+]1CC=C(Cl)Cl ZINC000851729845 588618894 /nfs/dbraw/zinc/61/88/94/588618894.db2.gz QLULJXBTHFJWNP-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC=C(Cl)Cl ZINC000851729843 588618898 /nfs/dbraw/zinc/61/88/98/588618898.db2.gz QLULJXBTHFJWNP-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1CO[C@@H](C)C[N@H+]1CC=C(Cl)Cl ZINC000851729843 588618899 /nfs/dbraw/zinc/61/88/99/588618899.db2.gz QLULJXBTHFJWNP-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1CO[C@H](C)C[N@@H+]1CC=C(Cl)Cl ZINC000851729835 588618995 /nfs/dbraw/zinc/61/89/95/588618995.db2.gz QLULJXBTHFJWNP-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1CO[C@H](C)C[N@H+]1CC=C(Cl)Cl ZINC000851729835 588618996 /nfs/dbraw/zinc/61/89/96/588618996.db2.gz QLULJXBTHFJWNP-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cnon1 ZINC000851772854 588625988 /nfs/dbraw/zinc/62/59/88/588625988.db2.gz MWCKOVSLYQEVCP-CQSZACIVSA-N 1 2 243.310 2.579 20 0 BFADLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnon1 ZINC000851772854 588625989 /nfs/dbraw/zinc/62/59/89/588625989.db2.gz MWCKOVSLYQEVCP-CQSZACIVSA-N 1 2 243.310 2.579 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1CC=C(Cl)Cl ZINC000851778023 588626994 /nfs/dbraw/zinc/62/69/94/588626994.db2.gz CROXXKRCXSBYHB-SSDOTTSWSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1CSCC[N@H+]1CC=C(Cl)Cl ZINC000851778023 588626995 /nfs/dbraw/zinc/62/69/95/588626995.db2.gz CROXXKRCXSBYHB-SSDOTTSWSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnon2)[C@@H](c2ccco2)C1 ZINC000851793687 588629371 /nfs/dbraw/zinc/62/93/71/588629371.db2.gz HFIFOEMYRIUIEA-CMPLNLGQSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnon2)[C@@H](c2ccco2)C1 ZINC000851793687 588629372 /nfs/dbraw/zinc/62/93/72/588629372.db2.gz HFIFOEMYRIUIEA-CMPLNLGQSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@H]1[N@H+](CC=C(Cl)Cl)CCOC1(C)C ZINC000851813713 588632576 /nfs/dbraw/zinc/63/25/76/588632576.db2.gz DSYLQHQIPJQOSY-MRVPVSSYSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@H]1[N@@H+](CC=C(Cl)Cl)CCOC1(C)C ZINC000851813713 588632577 /nfs/dbraw/zinc/63/25/77/588632577.db2.gz DSYLQHQIPJQOSY-MRVPVSSYSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+]Cc2cnon2)c1C ZINC000851902563 588642016 /nfs/dbraw/zinc/64/20/16/588642016.db2.gz OARJOEURELDGIH-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO C[C@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1F ZINC000851909630 588642700 /nfs/dbraw/zinc/64/27/00/588642700.db2.gz HCLJKOGDWUDWDD-YUMQZZPRSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1F ZINC000851909630 588642701 /nfs/dbraw/zinc/64/27/01/588642701.db2.gz HCLJKOGDWUDWDD-YUMQZZPRSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@@H]1CC[N@H+](CC=C(Cl)Cl)C[C@@H]1F ZINC000851909629 588642949 /nfs/dbraw/zinc/64/29/49/588642949.db2.gz HCLJKOGDWUDWDD-SFYZADRCSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C[C@@H]1F ZINC000851909629 588642950 /nfs/dbraw/zinc/64/29/50/588642950.db2.gz HCLJKOGDWUDWDD-SFYZADRCSA-N 1 2 226.122 2.985 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000852096711 588661893 /nfs/dbraw/zinc/66/18/93/588661893.db2.gz MWSHGINOXRANDM-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000852096711 588661894 /nfs/dbraw/zinc/66/18/94/588661894.db2.gz MWSHGINOXRANDM-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO CC1(C)CC[C@H]1[NH2+]CC(F)(F)Br ZINC000852125372 588665715 /nfs/dbraw/zinc/66/57/15/588665715.db2.gz PXEQHNDEUBQRSK-ZCFIWIBFSA-N 1 2 242.107 2.752 20 0 BFADLO CC[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@H](C)CO1 ZINC000852210757 588672571 /nfs/dbraw/zinc/67/25/71/588672571.db2.gz ACVKRRQJSHPIPS-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@H](C)CO1 ZINC000852210757 588672572 /nfs/dbraw/zinc/67/25/72/588672572.db2.gz ACVKRRQJSHPIPS-RKDXNWHRSA-N 1 2 238.158 2.805 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000852672766 588695090 /nfs/dbraw/zinc/69/50/90/588695090.db2.gz IWVSIKHXYLQFDM-LLVKDONJSA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000852672766 588695091 /nfs/dbraw/zinc/69/50/91/588695091.db2.gz IWVSIKHXYLQFDM-LLVKDONJSA-N 1 2 237.372 2.550 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3c(C)cccc3C2)n1 ZINC000862240897 589195973 /nfs/dbraw/zinc/19/59/73/589195973.db2.gz PZTXKRHCOMGLOY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3c(C)cccc3C2)n1 ZINC000862240897 589195974 /nfs/dbraw/zinc/19/59/74/589195974.db2.gz PZTXKRHCOMGLOY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3c(F)cccc3C2)o1 ZINC000862242198 589196265 /nfs/dbraw/zinc/19/62/65/589196265.db2.gz ZRRPKJQFJIUYDT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3c(F)cccc3C2)o1 ZINC000862242198 589196267 /nfs/dbraw/zinc/19/62/67/589196267.db2.gz ZRRPKJQFJIUYDT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1c(C[N@@H+]2CCC[C@](C)(F)C2)ccnc1F ZINC000862382658 589206946 /nfs/dbraw/zinc/20/69/46/589206946.db2.gz XYKFIUGOGXSGJY-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1c(C[N@H+]2CCC[C@](C)(F)C2)ccnc1F ZINC000862382658 589206947 /nfs/dbraw/zinc/20/69/47/589206947.db2.gz XYKFIUGOGXSGJY-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@H]2C)cc1F ZINC000863453155 589289011 /nfs/dbraw/zinc/28/90/11/589289011.db2.gz GFIFGVUPFRCOTD-KOLCDFICSA-N 1 2 236.290 2.637 20 0 BFADLO COC1(C(N)=[NH+]OCCC2CCC2)CCCC1 ZINC000863476902 589292145 /nfs/dbraw/zinc/29/21/45/589292145.db2.gz BZMKRRUHUVOJPQ-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000863983615 589333355 /nfs/dbraw/zinc/33/33/55/589333355.db2.gz JPNAIUQJVOIYIK-ZIAGYGMSSA-N 1 2 245.301 2.525 20 0 BFADLO C[C@@H](O)c1ccc(N(C)C[C@@H]2CC2(C)C)[nH+]c1 ZINC000864088391 589342766 /nfs/dbraw/zinc/34/27/66/589342766.db2.gz AMPOEQKRYWPTBE-PWSUYJOCSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1cccc(N(C)C[C@@H]2CC2(C)C)[nH+]1 ZINC000864089311 589342928 /nfs/dbraw/zinc/34/29/28/589342928.db2.gz POVYEPIPGBIQFW-MNOVXSKESA-N 1 2 234.343 2.617 20 0 BFADLO CO[C@H]1C[C@@H](CNc2cc(CC(C)C)[nH+]cn2)C1 ZINC000864091224 589343450 /nfs/dbraw/zinc/34/34/50/589343450.db2.gz NPQUWANTRLHRHZ-BJHJDKERSA-N 1 2 249.358 2.512 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@]2(C)CC2(F)F)[nH+]1 ZINC000864093239 589344158 /nfs/dbraw/zinc/34/41/58/589344158.db2.gz KTCHBSUHJHJIFG-GZMMTYOYSA-N 1 2 242.269 2.592 20 0 BFADLO C[C@@H](O)c1cccc(NCC[C@@H]2CC2(F)F)[nH+]1 ZINC000864093822 589344462 /nfs/dbraw/zinc/34/44/62/589344462.db2.gz VKNBEESEWSARPT-RKDXNWHRSA-N 1 2 242.269 2.592 20 0 BFADLO c1cn(CCSCCCC2CC2)c[nH+]1 ZINC000865288306 589419626 /nfs/dbraw/zinc/41/96/26/589419626.db2.gz KHAHTNFNXVQMPE-UHFFFAOYSA-N 1 2 210.346 2.807 20 0 BFADLO CC[C@@H](C)Oc1cccc(NCc2[nH]cc[nH+]2)n1 ZINC000865296008 589420481 /nfs/dbraw/zinc/42/04/81/589420481.db2.gz PWOQJBMSVLWJRC-SNVBAGLBSA-N 1 2 246.314 2.594 20 0 BFADLO Cc1cc(Cn2c[nH+]c(C(C)(C)C)c2)no1 ZINC000865376029 589428033 /nfs/dbraw/zinc/42/80/33/589428033.db2.gz WCVAPZQMVVFEOH-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO CC(C)(C)c1cn(CCOCC2CCC2)c[nH+]1 ZINC000865376658 589428927 /nfs/dbraw/zinc/42/89/27/589428927.db2.gz XSIIDCYIIWKALZ-UHFFFAOYSA-N 1 2 236.359 2.997 20 0 BFADLO CCO[C@H](Cn1c[nH+]c(C(C)(C)C)c1)C1CC1 ZINC000865376502 589429032 /nfs/dbraw/zinc/42/90/32/589429032.db2.gz QESINESBONCUQS-GFCCVEGCSA-N 1 2 236.359 2.996 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NC1CC1 ZINC000865401637 589433088 /nfs/dbraw/zinc/43/30/88/589433088.db2.gz ZMJVVTDUNIHCMT-UHFFFAOYSA-N 1 2 216.206 2.983 20 0 BFADLO Cc1c(Cl)cccc1C[NH2+]Cc1cocn1 ZINC000865457273 589437559 /nfs/dbraw/zinc/43/75/59/589437559.db2.gz YGEHDSMMJDBLBL-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1occc1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865460270 589438108 /nfs/dbraw/zinc/43/81/08/589438108.db2.gz QEQAQFXVNGLCOW-VIFPVBQESA-N 1 2 232.283 2.648 20 0 BFADLO C[C@@H](O)c1ccc(NC[C@H]2CC=CCC2)[nH+]c1 ZINC000865470505 589438306 /nfs/dbraw/zinc/43/83/06/589438306.db2.gz CMODPBGAWMJPFP-NEPJUHHUSA-N 1 2 232.327 2.903 20 0 BFADLO C[C@H](O)c1ccc(NC[C@H]2CC=CCC2)[nH+]c1 ZINC000865470512 589438399 /nfs/dbraw/zinc/43/83/99/589438399.db2.gz CMODPBGAWMJPFP-RYUDHWBXSA-N 1 2 232.327 2.903 20 0 BFADLO Clc1cc2c(nc[nH+]c2NCCC2CC2)[nH]1 ZINC000865565847 589446966 /nfs/dbraw/zinc/44/69/66/589446966.db2.gz ROTAUOSFQQDQHA-UHFFFAOYSA-N 1 2 236.706 2.823 20 0 BFADLO CCOc1cc(F)cc(C[NH2+]CC(F)F)c1 ZINC000865564486 589447081 /nfs/dbraw/zinc/44/70/81/589447081.db2.gz NTOSMFSZQTXYIM-UHFFFAOYSA-N 1 2 233.233 2.579 20 0 BFADLO CCOc1cc(F)cc(C[NH2+]C(CF)CF)c1 ZINC000865583184 589448689 /nfs/dbraw/zinc/44/86/89/589448689.db2.gz OMVYELWZSYTCHF-UHFFFAOYSA-N 1 2 247.260 2.622 20 0 BFADLO CS[C@H](C)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865635513 589450825 /nfs/dbraw/zinc/45/08/25/589450825.db2.gz QXMPXRFZNLCEKV-SNVBAGLBSA-N 1 2 239.388 2.839 20 0 BFADLO C[C@H](O)c1ccc(N2[C@@H](C)CC[C@@H]2C)[nH+]c1 ZINC000865609966 589451119 /nfs/dbraw/zinc/45/11/19/589451119.db2.gz XLMDMJHTDGHJOE-DCAQKATOSA-N 1 2 220.316 2.512 20 0 BFADLO C[C@H](NCc1cn(C2CC2)c[nH+]1)c1cscn1 ZINC000865623283 589451816 /nfs/dbraw/zinc/45/18/16/589451816.db2.gz NDNUGINDZXFQDL-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)c(F)c1 ZINC000865662284 589454863 /nfs/dbraw/zinc/45/48/63/589454863.db2.gz UGFUPMDAIMGJIL-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO COC1(CNc2cc(CC(C)C)[nH+]cn2)CCC1 ZINC000865664588 589455177 /nfs/dbraw/zinc/45/51/77/589455177.db2.gz LBCHQLKSCWJQEK-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO C[C@H](O)c1ccc(N2CC3(CCC3)C[C@@H]2C)[nH+]c1 ZINC000865728384 589458777 /nfs/dbraw/zinc/45/87/77/589458777.db2.gz UXCXIMSRNMCODE-RYUDHWBXSA-N 1 2 246.354 2.904 20 0 BFADLO CC1=CCCN(c2[nH+]cnc3[nH]c(Cl)cc32)C1 ZINC000865754742 589461035 /nfs/dbraw/zinc/46/10/35/589461035.db2.gz SANQMYQHGDERIL-UHFFFAOYSA-N 1 2 248.717 2.719 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2cc[nH]n2)o1 ZINC000865814838 589462904 /nfs/dbraw/zinc/46/29/04/589462904.db2.gz OFZDTKROMDYEHT-UHFFFAOYSA-N 1 2 233.315 2.590 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865814401 589462960 /nfs/dbraw/zinc/46/29/60/589462960.db2.gz FFSSBAVLPLCSDD-UHFFFAOYSA-N 1 2 247.342 2.898 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865814401 589462961 /nfs/dbraw/zinc/46/29/61/589462961.db2.gz FFSSBAVLPLCSDD-UHFFFAOYSA-N 1 2 247.342 2.898 20 0 BFADLO CO[C@H](CNc1cc(CC(C)C)[nH+]cn1)C1CC1 ZINC000865834321 589463790 /nfs/dbraw/zinc/46/37/90/589463790.db2.gz IAKNFWNITFMRIJ-CYBMUJFWSA-N 1 2 249.358 2.512 20 0 BFADLO CC(C)Cc1cc(NC[C@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000865867985 589466085 /nfs/dbraw/zinc/46/60/85/589466085.db2.gz KSKQMMUBVBHOEN-DGCLKSJQSA-N 1 2 249.358 2.655 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CC23CC3)nc[nH+]1 ZINC000865889340 589467514 /nfs/dbraw/zinc/46/75/14/589467514.db2.gz KAMCGMCBLPCORZ-NSHDSACASA-N 1 2 217.316 2.640 20 0 BFADLO CC12CC(C1)CN2c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865958828 589470231 /nfs/dbraw/zinc/47/02/31/589470231.db2.gz LDSXLAAUWSFPCB-UHFFFAOYSA-N 1 2 248.717 2.552 20 0 BFADLO Cc1nocc1CNc1cc(CC(C)C)[nH+]cn1 ZINC000866020925 589472850 /nfs/dbraw/zinc/47/28/50/589472850.db2.gz QNZFPDFGLGMMGR-UHFFFAOYSA-N 1 2 246.314 2.584 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2ccnn2C)cc[nH+]1 ZINC000866251355 589482896 /nfs/dbraw/zinc/48/28/96/589482896.db2.gz LQTCIZFUYLJRIG-JTQLQIEISA-N 1 2 245.330 2.507 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450284 589493754 /nfs/dbraw/zinc/49/37/54/589493754.db2.gz RMYXHVBAFMHZPB-JFUSQASVSA-N 1 2 225.311 2.649 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000866450285 589493913 /nfs/dbraw/zinc/49/39/13/589493913.db2.gz RMYXHVBAFMHZPB-KPXOXKRLSA-N 1 2 225.311 2.649 20 0 BFADLO CCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000121787179 589532180 /nfs/dbraw/zinc/53/21/80/589532180.db2.gz PGMVCHGLHYNIOB-ZDUSSCGKSA-N 1 2 235.327 2.633 20 0 BFADLO CCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000121787179 589532181 /nfs/dbraw/zinc/53/21/81/589532181.db2.gz PGMVCHGLHYNIOB-ZDUSSCGKSA-N 1 2 235.327 2.633 20 0 BFADLO CO[C@H]1C[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000871639785 589780580 /nfs/dbraw/zinc/78/05/80/589780580.db2.gz ZDLCPFWWSXTSBC-KLPPZKSPSA-N 1 2 248.351 2.851 20 0 BFADLO C[N@@H+]1CCO[C@H](CSCSC(C)(C)C)C1 ZINC000871675289 589788616 /nfs/dbraw/zinc/78/86/16/589788616.db2.gz JTKPNLMHAIANPC-JTQLQIEISA-N 1 2 249.445 2.539 20 0 BFADLO C[N@H+]1CCO[C@H](CSCSC(C)(C)C)C1 ZINC000871675289 589788617 /nfs/dbraw/zinc/78/86/17/589788617.db2.gz JTKPNLMHAIANPC-JTQLQIEISA-N 1 2 249.445 2.539 20 0 BFADLO c1oc(C2CC2)nc1COc1cc[nH+]cc1 ZINC000871746728 589804674 /nfs/dbraw/zinc/80/46/74/589804674.db2.gz XLZKIGYHTCTYBN-UHFFFAOYSA-N 1 2 216.240 2.526 20 0 BFADLO COC1(C(N)=[NH+]OCCCC2CC2)CCCC1 ZINC000871762937 589808609 /nfs/dbraw/zinc/80/86/09/589808609.db2.gz VKMOSOOUSISDAE-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO Cc1ccc(CO[NH+]=C(N)COC2CCC2)cc1 ZINC000871774277 589813292 /nfs/dbraw/zinc/81/32/92/589813292.db2.gz ANUKODJYMMLQSR-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO CCC[C@H](CC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000871839783 589823863 /nfs/dbraw/zinc/82/38/63/589823863.db2.gz SQJKTBWEUZVGBT-JTQLQIEISA-N 1 2 248.330 2.688 20 0 BFADLO CCn1ncc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000872139980 589881031 /nfs/dbraw/zinc/88/10/31/589881031.db2.gz UQLXWPOVCRGFEG-ONGXEEELSA-N 1 2 245.330 2.526 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC23CCC3)[nH+]1 ZINC000872775076 589968236 /nfs/dbraw/zinc/96/82/36/589968236.db2.gz NWVFYANKPZQSCC-JTQLQIEISA-N 1 2 228.299 2.621 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cc(N)cc(F)c2)no1 ZINC000873289739 590023237 /nfs/dbraw/zinc/02/32/37/590023237.db2.gz XFQWRLDHILQYIO-VIFPVBQESA-N 1 2 249.289 2.555 20 0 BFADLO CC[C@@H](C)[C@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125643 590076539 /nfs/dbraw/zinc/07/65/39/590076539.db2.gz MTDAEJAXUZTUFR-ZJUUUORDSA-N 1 2 248.326 2.864 20 0 BFADLO CCC[C@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124918806 590099062 /nfs/dbraw/zinc/09/90/62/590099062.db2.gz GHJIQNFOWFXHCJ-QWRGUYRKSA-N 1 2 222.332 2.760 20 0 BFADLO CC(C)(C)C[NH2+]c1ccc(OCCO)cc1 ZINC000124954702 590103544 /nfs/dbraw/zinc/10/35/44/590103544.db2.gz DBRDVSGTTAAVDX-UHFFFAOYSA-N 1 2 223.316 2.516 20 0 BFADLO CCc1csc(N[C@@H](CC)c2[nH]cc[nH+]2)n1 ZINC000125226486 590157283 /nfs/dbraw/zinc/15/72/83/590157283.db2.gz XHDJJPSRFXIQHM-VIFPVBQESA-N 1 2 236.344 2.992 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC2(Cl)Cl)cc[nH+]1 ZINC000125723257 590185025 /nfs/dbraw/zinc/18/50/25/590185025.db2.gz OWMXFNOCXYMHGZ-QMMMGPOBSA-N 1 2 245.109 2.522 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876636677 590224018 /nfs/dbraw/zinc/22/40/18/590224018.db2.gz KKYFCSUXXRDDAC-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876636677 590224019 /nfs/dbraw/zinc/22/40/19/590224019.db2.gz KKYFCSUXXRDDAC-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO COC[C@@H](Nc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000126118633 590231053 /nfs/dbraw/zinc/23/10/53/590231053.db2.gz RDWLFQCMNYVGDU-OAHLLOKOSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cnc(CNc2ccc([NH+](C)C)c(C)c2)o1 ZINC000876845684 590249015 /nfs/dbraw/zinc/24/90/15/590249015.db2.gz VUMDVLBGJGOJIV-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO c1cc([NH2+]CCC[C@H]2CCO2)cc2c1OCC2 ZINC000877047326 590274422 /nfs/dbraw/zinc/27/44/22/590274422.db2.gz XBCSCGISKPAQMV-ZDUSSCGKSA-N 1 2 233.311 2.603 20 0 BFADLO COc1c(C)c[nH+]c(CN2CC(C(C)C)C2)c1C ZINC000877487906 590338524 /nfs/dbraw/zinc/33/85/24/590338524.db2.gz XHLPCDSWUPMOFI-UHFFFAOYSA-N 1 2 248.370 2.795 20 0 BFADLO Clc1ccc(C[NH+]2CC3(C2)CCCC3)nn1 ZINC000877532838 590349586 /nfs/dbraw/zinc/34/95/86/590349586.db2.gz IOCVKSAPMQIDOP-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO COCc1cc([NH2+]C[C@H]2C[C@@H]2C)ccc1OC ZINC000877702651 590395351 /nfs/dbraw/zinc/39/53/51/590395351.db2.gz VYFYTNVNRCKKQH-WDEREUQCSA-N 1 2 235.327 2.910 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CC([C@@H]2CCC[C@@H](C)C2)C1 ZINC000877763522 590419644 /nfs/dbraw/zinc/41/96/44/590419644.db2.gz AXLWQIQPMOQTTP-DGCLKSJQSA-N 1 2 247.386 2.976 20 0 BFADLO COc1cccc(C[NH+]2CC(OC(C)(C)C)C2)c1 ZINC000877772017 590422445 /nfs/dbraw/zinc/42/24/45/590422445.db2.gz JYOIWVWIMXOMBD-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)(C)OC1C[NH+](Cc2ccsc2)C1 ZINC000877772125 590422550 /nfs/dbraw/zinc/42/25/50/590422550.db2.gz OOUJUYWBKCJNGS-UHFFFAOYSA-N 1 2 225.357 2.747 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOC1CC1 ZINC000877882139 590437588 /nfs/dbraw/zinc/43/75/88/590437588.db2.gz CRDJZGRGRYBZDW-UHFFFAOYSA-N 1 2 221.300 2.510 20 0 BFADLO CSCC1CCN(c2cccc[nH+]2)CC1 ZINC000877887668 590439517 /nfs/dbraw/zinc/43/95/17/590439517.db2.gz QICRJINJXDKWRQ-UHFFFAOYSA-N 1 2 222.357 2.661 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901817 590443630 /nfs/dbraw/zinc/44/36/30/590443630.db2.gz WJRKOLVSHGIMPZ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901817 590443633 /nfs/dbraw/zinc/44/36/33/590443633.db2.gz WJRKOLVSHGIMPZ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccsc1 ZINC000877920974 590447618 /nfs/dbraw/zinc/44/76/18/590447618.db2.gz DSGPMLPTXYZMRO-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccsc1 ZINC000877920974 590447619 /nfs/dbraw/zinc/44/76/19/590447619.db2.gz DSGPMLPTXYZMRO-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878032550 590476332 /nfs/dbraw/zinc/47/63/32/590476332.db2.gz LCTXFGMJWGZXMT-SRVKXCTJSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878032550 590476333 /nfs/dbraw/zinc/47/63/33/590476333.db2.gz LCTXFGMJWGZXMT-SRVKXCTJSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H]1C[C@@H](C[N@H+](C)c2ccc(C)cc2)C1 ZINC000878034697 590476362 /nfs/dbraw/zinc/47/63/62/590476362.db2.gz RKYXRTNCDDMOSP-XBXGTLAGSA-N 1 2 219.328 2.856 20 0 BFADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2ccc(C)cc2)C1 ZINC000878034697 590476363 /nfs/dbraw/zinc/47/63/63/590476363.db2.gz RKYXRTNCDDMOSP-XBXGTLAGSA-N 1 2 219.328 2.856 20 0 BFADLO Cc1conc1C[N@@H+]1CCCc2sccc2C1 ZINC000878084969 590489226 /nfs/dbraw/zinc/48/92/26/590489226.db2.gz LPMCDQOJWXXPRK-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1conc1C[N@H+]1CCCc2sccc2C1 ZINC000878084969 590489228 /nfs/dbraw/zinc/48/92/28/590489228.db2.gz LPMCDQOJWXXPRK-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000126898466 590492580 /nfs/dbraw/zinc/49/25/80/590492580.db2.gz SOXIUCFBFLLQHR-CQSZACIVSA-N 1 2 245.301 2.634 20 0 BFADLO FC1(F)CCC[C@H]1CCn1cc[nH+]c1 ZINC000878208154 590524345 /nfs/dbraw/zinc/52/43/45/590524345.db2.gz QRPRWPJGWATMMV-VIFPVBQESA-N 1 2 200.232 2.709 20 0 BFADLO CC[N@H+](CCc1ccccn1)CC(F)(F)CC ZINC000878216941 590525092 /nfs/dbraw/zinc/52/50/92/590525092.db2.gz SCGAVCBZODPIRQ-UHFFFAOYSA-N 1 2 242.313 2.991 20 0 BFADLO CC[N@@H+](CCc1ccccn1)CC(F)(F)CC ZINC000878216941 590525095 /nfs/dbraw/zinc/52/50/95/590525095.db2.gz SCGAVCBZODPIRQ-UHFFFAOYSA-N 1 2 242.313 2.991 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000878213152 590525229 /nfs/dbraw/zinc/52/52/29/590525229.db2.gz FEFSIRMTRGRZCL-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000878213152 590525230 /nfs/dbraw/zinc/52/52/30/590525230.db2.gz FEFSIRMTRGRZCL-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000878314475 590542250 /nfs/dbraw/zinc/54/22/50/590542250.db2.gz VTWNBSQXSNIPIN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000878314475 590542251 /nfs/dbraw/zinc/54/22/51/590542251.db2.gz VTWNBSQXSNIPIN-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000878535453 590588733 /nfs/dbraw/zinc/58/87/33/590588733.db2.gz ZSIMDMZGBBFUJL-BDAKNGLRSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000878535453 590588735 /nfs/dbraw/zinc/58/87/35/590588735.db2.gz ZSIMDMZGBBFUJL-BDAKNGLRSA-N 1 2 248.248 2.756 20 0 BFADLO CC1(C)CCC[C@@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000878609139 590595929 /nfs/dbraw/zinc/59/59/29/590595929.db2.gz PIVXKKFPUXMLRS-AWEZNQCLSA-N 1 2 246.354 2.745 20 0 BFADLO CC1(C)CCC[C@@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000878609139 590595930 /nfs/dbraw/zinc/59/59/30/590595930.db2.gz PIVXKKFPUXMLRS-AWEZNQCLSA-N 1 2 246.354 2.745 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000879057569 590689514 /nfs/dbraw/zinc/68/95/14/590689514.db2.gz PKKVXCXCENGTBY-FZMZJTMJSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCSC(C)(C)C ZINC000879188257 590709359 /nfs/dbraw/zinc/70/93/59/590709359.db2.gz JAJCXMBCSBZVNL-UHFFFAOYSA-N 1 2 241.404 2.682 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCSC(C)(C)C ZINC000879188257 590709362 /nfs/dbraw/zinc/70/93/62/590709362.db2.gz JAJCXMBCSBZVNL-UHFFFAOYSA-N 1 2 241.404 2.682 20 0 BFADLO CO[C@@H]1CC[C@@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000879321813 590742589 /nfs/dbraw/zinc/74/25/89/590742589.db2.gz OSKXUNUJJMCFHY-QCHKVSTKSA-N 1 2 238.158 2.805 20 0 BFADLO CO[C@@H]1CC[C@@H](C)[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000879321813 590742592 /nfs/dbraw/zinc/74/25/92/590742592.db2.gz OSKXUNUJJMCFHY-QCHKVSTKSA-N 1 2 238.158 2.805 20 0 BFADLO CCC(F)(F)C[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879327855 590748107 /nfs/dbraw/zinc/74/81/07/590748107.db2.gz ZSRQUEKUGUZOSO-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879327855 590748109 /nfs/dbraw/zinc/74/81/09/590748109.db2.gz ZSRQUEKUGUZOSO-NXEZZACHSA-N 1 2 221.291 2.531 20 0 BFADLO C[N@H+](CCCCCO)c1cccc2cc[nH]c21 ZINC000879343625 590751044 /nfs/dbraw/zinc/75/10/44/590751044.db2.gz YYPUUKSPEUFRNH-UHFFFAOYSA-N 1 2 232.327 2.767 20 0 BFADLO C[N@@H+](CCCCCO)c1cccc2cc[nH]c21 ZINC000879343625 590751047 /nfs/dbraw/zinc/75/10/47/590751047.db2.gz YYPUUKSPEUFRNH-UHFFFAOYSA-N 1 2 232.327 2.767 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC12CCC2 ZINC000879526462 590788953 /nfs/dbraw/zinc/78/89/53/590788953.db2.gz NAJWFYHQFMFBSC-NSHDSACASA-N 1 2 245.326 2.763 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccoc2)sc1C ZINC000128189531 590919553 /nfs/dbraw/zinc/91/95/53/590919553.db2.gz ACMVZHCCRRMLDJ-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CCc1nc(C[NH+]2CCC(F)CC2)cs1 ZINC000880243002 590976083 /nfs/dbraw/zinc/97/60/83/590976083.db2.gz BPIIBHVCNLNXDO-UHFFFAOYSA-N 1 2 228.336 2.639 20 0 BFADLO c1csc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000880365177 591010669 /nfs/dbraw/zinc/01/06/69/591010669.db2.gz DYFLUOULNLHNHP-UHFFFAOYSA-N 1 2 245.351 2.707 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccon1 ZINC000880377509 591016262 /nfs/dbraw/zinc/01/62/62/591016262.db2.gz XROFNEODMKCFEL-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccon1 ZINC000880377509 591016267 /nfs/dbraw/zinc/01/62/67/591016267.db2.gz XROFNEODMKCFEL-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO CC=CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000211311544 591155747 /nfs/dbraw/zinc/15/57/47/591155747.db2.gz XEMURXKSGWAGNY-IHWYPQMZSA-N 1 2 227.267 2.591 20 0 BFADLO Cc1[nH+]cnc(N(C)Cc2ccc(F)cc2)c1C ZINC000881752388 591269358 /nfs/dbraw/zinc/26/93/58/591269358.db2.gz ZIGKXGVBRLIZBL-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1[nH+]cnc(NCCCOCC(C)C)c1C ZINC000881775101 591270627 /nfs/dbraw/zinc/27/06/27/591270627.db2.gz LFUJMUGQQRWFLT-UHFFFAOYSA-N 1 2 237.347 2.568 20 0 BFADLO Cc1cc([C@H]2CCCN2c2cc[nH+]cc2F)no1 ZINC000881791073 591271164 /nfs/dbraw/zinc/27/11/64/591271164.db2.gz BIQVTEWONXWZEM-CYBMUJFWSA-N 1 2 247.273 2.859 20 0 BFADLO Cc1[nH+]cnc(NC[C@H](C)C2CC2)c1C ZINC000881843817 591272201 /nfs/dbraw/zinc/27/22/01/591272201.db2.gz MSVYMTRGXWUDPB-QMMMGPOBSA-N 1 2 205.305 2.551 20 0 BFADLO Cc1[nH+]cnc(NCc2ccc(Cl)nc2)c1C ZINC000881826004 591273919 /nfs/dbraw/zinc/27/39/19/591273919.db2.gz XSTKAQUOUZVWFR-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1[nH+]cnc(N[C@@H](C)c2cccc(O)c2)c1C ZINC000881900736 591277524 /nfs/dbraw/zinc/27/75/24/591277524.db2.gz ARYWVCUFZPSLHB-NSHDSACASA-N 1 2 243.310 2.972 20 0 BFADLO CCc1cnc(CNc2nc[nH+]c(C)c2C)s1 ZINC000882029291 591288683 /nfs/dbraw/zinc/28/86/83/591288683.db2.gz GJMOFWJWCDQHPD-UHFFFAOYSA-N 1 2 248.355 2.724 20 0 BFADLO CSC(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882039174 591290808 /nfs/dbraw/zinc/29/08/08/591290808.db2.gz LLALPJYHNPQQBU-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO Cc1nc(CNc2nc[nH+]c(C)c2C)sc1C ZINC000882039783 591291002 /nfs/dbraw/zinc/29/10/02/591291002.db2.gz RLJIJKVNRSXNID-UHFFFAOYSA-N 1 2 248.355 2.779 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H](C)c2ccncc2)c1C ZINC000882058682 591292868 /nfs/dbraw/zinc/29/28/68/591292868.db2.gz JKYIUVYHGMLCSZ-SNVBAGLBSA-N 1 2 242.326 2.704 20 0 BFADLO Cc1[nH+]cnc(NC[C@H](C)c2ccncc2)c1C ZINC000882058680 591292950 /nfs/dbraw/zinc/29/29/50/591292950.db2.gz JKYIUVYHGMLCSZ-JTQLQIEISA-N 1 2 242.326 2.704 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCOC3(CCC3)C2)c1C ZINC000882111334 591299850 /nfs/dbraw/zinc/29/98/50/591299850.db2.gz ZYAMYAPFLYFCIT-GFCCVEGCSA-N 1 2 247.342 2.607 20 0 BFADLO CC1(C)C[C@@H](COCc2[nH]cc[nH+]2)C(C)(C)O1 ZINC000882148892 591306099 /nfs/dbraw/zinc/30/60/99/591306099.db2.gz AWXUYXMFZMWIEG-JTQLQIEISA-N 1 2 238.331 2.520 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@@H](C)[C@@H](C)C2)c1C ZINC000882146718 591306127 /nfs/dbraw/zinc/30/61/27/591306127.db2.gz AMYMZTRIVKJJLZ-ZJUUUORDSA-N 1 2 219.332 2.576 20 0 BFADLO FC1(F)CCC[C@H]1CCOCc1[nH]cc[nH+]1 ZINC000882148907 591306204 /nfs/dbraw/zinc/30/62/04/591306204.db2.gz BEULQOONTJWSSZ-VIFPVBQESA-N 1 2 230.258 2.752 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCO[C@H](C(C)C)C2)c1C ZINC000882158369 591308549 /nfs/dbraw/zinc/30/85/49/591308549.db2.gz RSBFZDRQNZKBCL-STQMWFEESA-N 1 2 249.358 2.709 20 0 BFADLO CC(C)(O)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882204275 591315951 /nfs/dbraw/zinc/31/59/51/591315951.db2.gz LZBHSNKDCUIJOZ-UHFFFAOYSA-N 1 2 248.301 2.947 20 0 BFADLO OCc1cc[nH+]c(N2CCCC3(CCCC3)C2)c1 ZINC000882235640 591319612 /nfs/dbraw/zinc/31/96/12/591319612.db2.gz URBWLULSJRDFMK-UHFFFAOYSA-N 1 2 246.354 2.735 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC23CCCC3)c1C ZINC000882262805 591322530 /nfs/dbraw/zinc/32/25/30/591322530.db2.gz ODUXKVAIKJEYFS-LLVKDONJSA-N 1 2 217.316 2.838 20 0 BFADLO CC(C)[C@@H](O)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000882280747 591326145 /nfs/dbraw/zinc/32/61/45/591326145.db2.gz JMQGORMVTKQTNJ-NSHDSACASA-N 1 2 224.348 2.588 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCCSC2)c1C ZINC000882375278 591339511 /nfs/dbraw/zinc/33/95/11/591339511.db2.gz MRVCOOJPFXNYHH-LLVKDONJSA-N 1 2 237.372 2.649 20 0 BFADLO Cc1ccoc1CNc1nc[nH+]c(C)c1C ZINC000882394094 591341984 /nfs/dbraw/zinc/34/19/84/591341984.db2.gz PBNMTXHINZMUDZ-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO C[C@@]1(CNc2cc[nH+]cc2F)CC1(Cl)Cl ZINC000882417313 591345381 /nfs/dbraw/zinc/34/53/81/591345381.db2.gz STHHFBJKQRTROH-VIFPVBQESA-N 1 2 249.116 2.638 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2C[C@H]2C2CC2)c1C ZINC000882433021 591347406 /nfs/dbraw/zinc/34/74/06/591347406.db2.gz UVOOKTJLZVXJQV-RYUDHWBXSA-N 1 2 217.316 2.551 20 0 BFADLO Cc1[nH+]cnc(NC[C@H](C)c2ccccn2)c1C ZINC000882577864 591394188 /nfs/dbraw/zinc/39/41/88/591394188.db2.gz MWOVDNBDEIKJMG-JTQLQIEISA-N 1 2 242.326 2.704 20 0 BFADLO Cc1[nH+]cnc(NC[C@@]2(C)CC2(F)F)c1C ZINC000882620446 591401495 /nfs/dbraw/zinc/40/14/95/591401495.db2.gz JXYZNZHXGLRPSJ-SNVBAGLBSA-N 1 2 227.258 2.551 20 0 BFADLO C[C@]1(C(F)(F)F)CCN(c2cc[nH+]cc2F)C1 ZINC000882716853 591419474 /nfs/dbraw/zinc/41/94/74/591419474.db2.gz GGHDVDQYZCHJRN-JTQLQIEISA-N 1 2 248.223 2.999 20 0 BFADLO OCc1cc[nH+]c(NCCC[C@@H]2C=CCC2)c1 ZINC000882715263 591419847 /nfs/dbraw/zinc/41/98/47/591419847.db2.gz TWVIBXOTHSZMTK-GFCCVEGCSA-N 1 2 232.327 2.732 20 0 BFADLO C1=C[C@@H](CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000882757445 591430358 /nfs/dbraw/zinc/43/03/58/591430358.db2.gz GROHBSMZNFSJJI-SNVBAGLBSA-N 1 2 215.300 2.732 20 0 BFADLO Cc1cc(NCC2(CC3CC3)CC2)nc[nH+]1 ZINC000882773417 591435293 /nfs/dbraw/zinc/43/52/93/591435293.db2.gz MZNNCSVDOCGWFY-UHFFFAOYSA-N 1 2 217.316 2.777 20 0 BFADLO Cc1nc(NCC2(CC3CC3)CC2)cc[nH+]1 ZINC000882773987 591435734 /nfs/dbraw/zinc/43/57/34/591435734.db2.gz ONEDBPXNBPIAJI-UHFFFAOYSA-N 1 2 217.316 2.777 20 0 BFADLO CC(C)(CNc1cc[nH+]cc1F)CC(F)F ZINC000882780126 591436239 /nfs/dbraw/zinc/43/62/39/591436239.db2.gz SZIGQRCGDFEYMU-UHFFFAOYSA-N 1 2 232.249 2.736 20 0 BFADLO C=C/C=C/CCNc1nc[nH+]c(C)c1C ZINC000882794240 591440153 /nfs/dbraw/zinc/44/01/53/591440153.db2.gz LRFKXYHFKBINDT-AATRIKPKSA-N 1 2 203.289 2.638 20 0 BFADLO FC[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000882801586 591443851 /nfs/dbraw/zinc/44/38/51/591443851.db2.gz VEICHZYDEMGKCT-LLVKDONJSA-N 1 2 245.301 2.816 20 0 BFADLO FC[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000882840242 591451250 /nfs/dbraw/zinc/45/12/50/591451250.db2.gz OYBLJNGAZHCKAZ-QMMMGPOBSA-N 1 2 248.223 2.896 20 0 BFADLO CC[C@H]1CCCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213236261 591456252 /nfs/dbraw/zinc/45/62/52/591456252.db2.gz MIMQCBASANNOCO-YPMHNXCESA-N 1 2 234.343 2.904 20 0 BFADLO C[C@H](O)c1ccc(N(C)CC2CCCC2)[nH+]c1 ZINC000213290021 591460576 /nfs/dbraw/zinc/46/05/76/591460576.db2.gz MCHRKWCLUOSVQD-NSHDSACASA-N 1 2 234.343 2.761 20 0 BFADLO CC(C)c1c[nH]c(C[NH2+]Cc2ccccc2F)n1 ZINC000882879009 591460813 /nfs/dbraw/zinc/46/08/13/591460813.db2.gz CQYRVIYZZFTHNR-UHFFFAOYSA-N 1 2 247.317 2.962 20 0 BFADLO CC(C)c1nc(N[C@H](C)C(F)F)cc[nH+]1 ZINC000883018680 591516690 /nfs/dbraw/zinc/51/66/90/591516690.db2.gz LOCMPAFBFQNNGD-SSDOTTSWSA-N 1 2 215.247 2.666 20 0 BFADLO CC(C)c1c[nH]c(CN[C@H]2CCCC2(F)F)[nH+]1 ZINC000883120913 591542460 /nfs/dbraw/zinc/54/24/60/591542460.db2.gz RCSXAGVTEHGQTE-JTQLQIEISA-N 1 2 243.301 2.811 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C)on2)o1 ZINC000883127597 591545813 /nfs/dbraw/zinc/54/58/13/591545813.db2.gz ZQNNAZUGMSSSJG-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)o1 ZINC000883196468 591569542 /nfs/dbraw/zinc/56/95/42/591569542.db2.gz PVSFOSSUBYFOMN-UHFFFAOYSA-N 1 2 233.315 2.724 20 0 BFADLO Cc1cc(N[C@H]2CCOC2(C)C)c[nH+]c1C ZINC000883342612 591619303 /nfs/dbraw/zinc/61/93/03/591619303.db2.gz GBFGBIKORIOCRS-LBPRGKRZSA-N 1 2 220.316 2.678 20 0 BFADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)c1nccn1C ZINC000883341937 591620103 /nfs/dbraw/zinc/62/01/03/591620103.db2.gz FITTXSYOIVWAJP-CYBMUJFWSA-N 1 2 244.342 2.995 20 0 BFADLO Cc1cc(NCc2ccc(CO)cc2)c[nH+]c1C ZINC000883341221 591620312 /nfs/dbraw/zinc/62/03/12/591620312.db2.gz KSVFBPBLZXSSLH-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Cc1cc(NC[C@@H]2CCSC2)c[nH+]c1C ZINC000883341280 591620366 /nfs/dbraw/zinc/62/03/66/591620366.db2.gz MBPXTFPVZDSJPX-NSHDSACASA-N 1 2 222.357 2.863 20 0 BFADLO Cc1cc(NCc2ccco2)c[nH+]c1C ZINC000883341865 591620818 /nfs/dbraw/zinc/62/08/18/591620818.db2.gz BZYAOIDXYAVXGL-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CCOC[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342220 591621184 /nfs/dbraw/zinc/62/11/84/591621184.db2.gz OYWXDKYHCOCUCL-JTQLQIEISA-N 1 2 208.305 2.535 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)c[nH+]c1C ZINC000883342546 591621889 /nfs/dbraw/zinc/62/18/89/591621889.db2.gz CHSXZGZVHDTDRX-AAEUAGOBSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@@H](C)c2ncc[nH]2)c[nH+]c1C ZINC000883342751 591621955 /nfs/dbraw/zinc/62/19/55/591621955.db2.gz KIBBZQIVJNBLFA-JTQLQIEISA-N 1 2 216.288 2.595 20 0 BFADLO Cc1cc(NCc2nccs2)c[nH+]c1C ZINC000883342466 591622018 /nfs/dbraw/zinc/62/20/18/591622018.db2.gz ZBMLIYGEKBTQHW-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1nn(C)cc1[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342116 591622182 /nfs/dbraw/zinc/62/21/82/591622182.db2.gz KZKQJLAEFUAOOV-NSHDSACASA-N 1 2 244.342 2.913 20 0 BFADLO Cc1cc(N[C@H](C)C2CCOCC2)c[nH+]c1C ZINC000883342213 591622375 /nfs/dbraw/zinc/62/23/75/591622375.db2.gz OQGUNNMPAKYIHK-GFCCVEGCSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@H]2COC(C)(C)C2)c[nH+]c1C ZINC000883342936 591623153 /nfs/dbraw/zinc/62/31/53/591623153.db2.gz RPLQAZKYFODFFX-GFCCVEGCSA-N 1 2 220.316 2.678 20 0 BFADLO CCSCc1ccc[nH+]c1NCc1cocn1 ZINC000883377734 591636730 /nfs/dbraw/zinc/63/67/30/591636730.db2.gz OXURTADNLJRTCF-UHFFFAOYSA-N 1 2 249.339 2.935 20 0 BFADLO CN1CCOc2ccc([NH2+]CC(C)(C)C)cc21 ZINC000132986515 591754011 /nfs/dbraw/zinc/75/40/11/591754011.db2.gz ZRDMLORILVUVLV-UHFFFAOYSA-N 1 2 234.343 2.973 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000884025320 591805589 /nfs/dbraw/zinc/80/55/89/591805589.db2.gz SDCIPGZBTXWQRV-QMTHXVAHSA-N 1 2 247.342 2.819 20 0 BFADLO CC(C)(F)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000133605401 591842286 /nfs/dbraw/zinc/84/22/86/591842286.db2.gz UHOWPDISSDDEGU-UHFFFAOYSA-N 1 2 247.273 2.559 20 0 BFADLO COc1c(C)c[nH+]c(CNCc2ccoc2)c1C ZINC000134288759 591911779 /nfs/dbraw/zinc/91/17/79/591911779.db2.gz PFASFELYFGSMNL-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CCc1nc(N[C@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000884486421 591954576 /nfs/dbraw/zinc/95/45/76/591954576.db2.gz WHQDKRAOYBPOSH-SNVBAGLBSA-N 1 2 243.310 2.918 20 0 BFADLO CCc1nc(N2CCC(C)=C(C)C2)cc[nH+]1 ZINC000884494693 591955786 /nfs/dbraw/zinc/95/57/86/591955786.db2.gz AIKJDQKKWWMQSN-UHFFFAOYSA-N 1 2 217.316 2.586 20 0 BFADLO CCc1nc(N[C@H]2CCCC2(F)F)cc[nH+]1 ZINC000884496666 591957039 /nfs/dbraw/zinc/95/70/39/591957039.db2.gz CMLRQTAQSMJNKX-QMMMGPOBSA-N 1 2 227.258 2.639 20 0 BFADLO CCc1nc(NCCC2(F)CCC2)cc[nH+]1 ZINC000884508391 591959923 /nfs/dbraw/zinc/95/99/23/591959923.db2.gz CVLFMNYZUIJXHM-UHFFFAOYSA-N 1 2 223.295 2.733 20 0 BFADLO CCc1nc(NCCSC(C)C)cc[nH+]1 ZINC000884508712 591961362 /nfs/dbraw/zinc/96/13/62/591961362.db2.gz NBBIQMNMEGZJIP-UHFFFAOYSA-N 1 2 225.361 2.593 20 0 BFADLO CCc1nc(N2CC3(CCC3)[C@H]2C2CC2)cc[nH+]1 ZINC000884511879 591962187 /nfs/dbraw/zinc/96/21/87/591962187.db2.gz RZDIVMWAVOPTER-CQSZACIVSA-N 1 2 243.354 2.808 20 0 BFADLO CCc1nc(N(C)Cc2occc2C)cc[nH+]1 ZINC000884514149 591962699 /nfs/dbraw/zinc/96/26/99/591962699.db2.gz ALYVLQNJKJUMNW-UHFFFAOYSA-N 1 2 231.299 2.577 20 0 BFADLO CCc1nc(C)c(CNc2cc[nH+]c(CC)n2)o1 ZINC000884514711 591962850 /nfs/dbraw/zinc/96/28/50/591962850.db2.gz NWLHCYBTMKXKQK-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCc1nc(N2CC(CC)(CC)C2)cc[nH+]1 ZINC000884516961 591963994 /nfs/dbraw/zinc/96/39/94/591963994.db2.gz ZDKATAMSIRRKDI-UHFFFAOYSA-N 1 2 219.332 2.665 20 0 BFADLO CCc1nc(NC[C@H]2CCOC(C)(C)C2)cc[nH+]1 ZINC000884526156 591966371 /nfs/dbraw/zinc/96/63/71/591966371.db2.gz MMIUZMCTYGTVRD-NSHDSACASA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(N[C@H](C)c2cncc(F)c2)cc[nH+]1 ZINC000884527517 591966592 /nfs/dbraw/zinc/96/65/92/591966592.db2.gz SWAVGKBEWMRDKX-SECBINFHSA-N 1 2 246.289 2.746 20 0 BFADLO CCc1nc(N[C@H](C)[C@@](C)(OC)C2CC2)cc[nH+]1 ZINC000884530952 591968806 /nfs/dbraw/zinc/96/88/06/591968806.db2.gz YUZSMSUFCJETEO-QMTHXVAHSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1nc(N2CC(C)(CC(F)F)C2)cc[nH+]1 ZINC000884542686 591972840 /nfs/dbraw/zinc/97/28/40/591972840.db2.gz KPXKDOIHEIRKRR-UHFFFAOYSA-N 1 2 241.285 2.521 20 0 BFADLO CCc1nc(N2CCCC(F)(F)CC2)cc[nH+]1 ZINC000884563492 591981293 /nfs/dbraw/zinc/98/12/93/591981293.db2.gz HCPXTIOKQMOXQC-UHFFFAOYSA-N 1 2 241.285 2.665 20 0 BFADLO CCc1nc(NCc2ccc(C)o2)cc[nH+]1 ZINC000884571480 591984084 /nfs/dbraw/zinc/98/40/84/591984084.db2.gz QOFWFXBTKIYWCM-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CN(CCCF)c1cc[nH+]c(C(C)(C)C)n1 ZINC000884856514 592025285 /nfs/dbraw/zinc/02/52/85/592025285.db2.gz DQGVDSBSHLLIMD-UHFFFAOYSA-N 1 2 225.311 2.570 20 0 BFADLO CSc1ccc(NCc2[nH]nc(C)c2C)[nH+]c1 ZINC000886025014 592134905 /nfs/dbraw/zinc/13/49/05/592134905.db2.gz BTUSQCNNGVMQEF-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO FCC(CF)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886130039 592159890 /nfs/dbraw/zinc/15/98/90/592159890.db2.gz UIJOIDYZGRODKY-RQOWECAXSA-N 1 2 229.245 2.736 20 0 BFADLO C[C@H]([NH2+]Cc1ccsc1)c1ncco1 ZINC000886275737 592195540 /nfs/dbraw/zinc/19/55/40/592195540.db2.gz KNOGZZPJPJEKQK-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000886279229 592197279 /nfs/dbraw/zinc/19/72/79/592197279.db2.gz SYERVOKEDBLVAD-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000886279229 592197280 /nfs/dbraw/zinc/19/72/80/592197280.db2.gz SYERVOKEDBLVAD-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO CC(C)[C@H](Nc1cccc[nH+]1)c1cnn(C)c1 ZINC000886564217 592261979 /nfs/dbraw/zinc/26/19/79/592261979.db2.gz QFXZTGISCRWEHY-ZDUSSCGKSA-N 1 2 230.315 2.624 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138947274 592321929 /nfs/dbraw/zinc/32/19/29/592321929.db2.gz LOYAQZVSDZMZCY-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO O=C1CCC(C[N@@H+](CC(F)F)C2CCC2)CC1 ZINC000887102296 592443044 /nfs/dbraw/zinc/44/30/44/592443044.db2.gz KHCFQYNSQJFRFH-UHFFFAOYSA-N 1 2 245.313 2.865 20 0 BFADLO O=C1CCC(C[N@H+](CC(F)F)C2CCC2)CC1 ZINC000887102296 592443048 /nfs/dbraw/zinc/44/30/48/592443048.db2.gz KHCFQYNSQJFRFH-UHFFFAOYSA-N 1 2 245.313 2.865 20 0 BFADLO CCO[C@H](C[N@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102421 592443527 /nfs/dbraw/zinc/44/35/27/592443527.db2.gz PJCKARLOOSERFF-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@H](C[N@@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102421 592443529 /nfs/dbraw/zinc/44/35/29/592443529.db2.gz PJCKARLOOSERFF-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO C[N@H+](CCCF)C/C(Cl)=C\Cl ZINC000887141380 592457027 /nfs/dbraw/zinc/45/70/27/592457027.db2.gz QQRMSICYPBFLHE-FNORWQNLSA-N 1 2 200.084 2.597 20 0 BFADLO C[N@@H+](CCCF)C/C(Cl)=C\Cl ZINC000887141380 592457030 /nfs/dbraw/zinc/45/70/30/592457030.db2.gz QQRMSICYPBFLHE-FNORWQNLSA-N 1 2 200.084 2.597 20 0 BFADLO Cc1cccc(CCn2cc(C(C)(C)C)nn2)[nH+]1 ZINC000887428142 592504965 /nfs/dbraw/zinc/50/49/65/592504965.db2.gz QZMRFRWNJSAFOF-UHFFFAOYSA-N 1 2 244.342 2.522 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000301733404 592538163 /nfs/dbraw/zinc/53/81/63/592538163.db2.gz NDGHIVCJARCYBP-IUODEOHRSA-N 1 2 248.370 2.980 20 0 BFADLO CC[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000301733404 592538165 /nfs/dbraw/zinc/53/81/65/592538165.db2.gz NDGHIVCJARCYBP-IUODEOHRSA-N 1 2 248.370 2.980 20 0 BFADLO Cc1ccc(N[C@H]2COCC2(C)C)c(C)[nH+]1 ZINC000312966185 634425460 /nfs/dbraw/zinc/42/54/60/634425460.db2.gz FOUOEQVQYCLYQX-LBPRGKRZSA-N 1 2 220.316 2.535 20 0 BFADLO c1n[nH]c2c1[C@H]([NH2+]Cc1ccccc1)CCC2 ZINC000336116248 634605306 /nfs/dbraw/zinc/60/53/06/634605306.db2.gz JGHOUTOKKHNCOG-CYBMUJFWSA-N 1 2 227.311 2.577 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3cnccc3c2)no1 ZINC000232483694 635512507 /nfs/dbraw/zinc/51/25/07/635512507.db2.gz LIFFFWAKROVGNU-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO O=C(C[C@@H]1CC=CCC1)OCCCn1cc[nH+]c1 ZINC000924244633 635537073 /nfs/dbraw/zinc/53/70/73/635537073.db2.gz GDVAKLOZTTTYQA-CYBMUJFWSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1ncccn1 ZINC000933765117 631507036 /nfs/dbraw/zinc/50/70/36/631507036.db2.gz YWDQSQDMPRKVLM-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1ncccn1 ZINC000933765117 631507042 /nfs/dbraw/zinc/50/70/42/631507042.db2.gz YWDQSQDMPRKVLM-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CC[NH2+]Cc1noc(C[C@@H](C)CC(C)(C)C)n1 ZINC000051860821 631971407 /nfs/dbraw/zinc/97/14/07/631971407.db2.gz HETPWZCSVKXXGO-SNVBAGLBSA-N 1 2 239.363 2.794 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000124373420 632093258 /nfs/dbraw/zinc/09/32/58/632093258.db2.gz OWOYATUMRVNVMZ-SSDOTTSWSA-N 1 2 248.157 2.711 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000124373420 632093267 /nfs/dbraw/zinc/09/32/67/632093267.db2.gz OWOYATUMRVNVMZ-SSDOTTSWSA-N 1 2 248.157 2.711 20 0 BFADLO C=C(Cl)C[N@@H+](CCOC)Cc1cccs1 ZINC000053100040 632799946 /nfs/dbraw/zinc/79/99/46/632799946.db2.gz LYEFIMMDOXXIBA-UHFFFAOYSA-N 1 2 245.775 2.949 20 0 BFADLO C=C(Cl)C[N@H+](CCOC)Cc1cccs1 ZINC000053100040 632799948 /nfs/dbraw/zinc/79/99/48/632799948.db2.gz LYEFIMMDOXXIBA-UHFFFAOYSA-N 1 2 245.775 2.949 20 0 BFADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cc[nH]n1 ZINC000892515252 632869222 /nfs/dbraw/zinc/86/92/22/632869222.db2.gz KQBAJOVZOZCFQF-UHFFFAOYSA-N 1 2 247.342 2.898 20 0 BFADLO CCOC[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030317 633046824 /nfs/dbraw/zinc/04/68/24/633046824.db2.gz WFCHMWHXAXRXDQ-NSHDSACASA-N 1 2 222.332 2.590 20 0 BFADLO COCC1(C[NH2+]c2ccc(N(C)C)cc2)CCC1 ZINC000311223532 633085826 /nfs/dbraw/zinc/08/58/26/633085826.db2.gz QDLCWNWCVWWYAQ-UHFFFAOYSA-N 1 2 248.370 2.981 20 0 BFADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C)c(OC)c1 ZINC000309482639 633159061 /nfs/dbraw/zinc/15/90/61/633159061.db2.gz ZXPFDVYHCBBKQY-GXSJLCMTSA-N 1 2 221.300 2.914 20 0 BFADLO CCC[C@@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892894594 633238183 /nfs/dbraw/zinc/23/81/83/633238183.db2.gz DMLBWGXKWMVPAQ-GFCCVEGCSA-N 1 2 244.342 2.746 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000893122196 633843057 /nfs/dbraw/zinc/84/30/57/633843057.db2.gz VUOGDNWJSRMWHB-TUAOUCFPSA-N 1 2 246.358 2.533 20 0 BFADLO CNc1cc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)[nH+]cn1 ZINC000893122196 633843061 /nfs/dbraw/zinc/84/30/61/633843061.db2.gz VUOGDNWJSRMWHB-TUAOUCFPSA-N 1 2 246.358 2.533 20 0 BFADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ncccc1F ZINC000925598000 634117628 /nfs/dbraw/zinc/11/76/28/634117628.db2.gz IWRJYGASMUWWNB-MRVPVSSYSA-N 1 2 249.289 2.676 20 0 BFADLO CC(C)=CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162700523 634282583 /nfs/dbraw/zinc/28/25/83/634282583.db2.gz GHPQLKRBZBACPB-UHFFFAOYSA-N 1 2 241.294 2.981 20 0 BFADLO Cc1ccccc1C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000336352282 635129781 /nfs/dbraw/zinc/12/97/81/635129781.db2.gz DSTMLIOPYLNCHX-AWEZNQCLSA-N 1 2 241.338 2.885 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000336462942 635157668 /nfs/dbraw/zinc/15/76/68/635157668.db2.gz PJQBHGREUGTRKO-WCBMZHEXSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1c[nH]cn1 ZINC000336462942 635157678 /nfs/dbraw/zinc/15/76/78/635157678.db2.gz PJQBHGREUGTRKO-WCBMZHEXSA-N 1 2 247.264 2.573 20 0 BFADLO COCC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000895970148 636185514 /nfs/dbraw/zinc/18/55/14/636185514.db2.gz DHIZLWHMTMXWAY-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO C[C@@H](c1nc([C@H]2CCCCS2)no1)[NH+](C)C ZINC000350595725 636433544 /nfs/dbraw/zinc/43/35/44/636433544.db2.gz MKKODMBTXBCFOL-DTWKUNHWSA-N 1 2 241.360 2.650 20 0 BFADLO CC(C)(C)c1cn(Cc2ccnc(F)c2)c[nH+]1 ZINC000865376629 636812443 /nfs/dbraw/zinc/81/24/43/636812443.db2.gz WUXFUKHSQHCUOX-UHFFFAOYSA-N 1 2 233.290 2.763 20 0 BFADLO COC/C(C)=C/Cn1c[nH+]c(C(C)(C)C)c1 ZINC000901589080 637264651 /nfs/dbraw/zinc/26/46/51/637264651.db2.gz WXFUEVMGFXUOBT-IZZDOVSWSA-N 1 2 222.332 2.773 20 0 BFADLO CC[C@@H]1C[C@H]1c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268619 637394703 /nfs/dbraw/zinc/39/47/03/637394703.db2.gz XBLYFKNHBTXYDQ-RKDXNWHRSA-N 1 2 244.298 2.536 20 0 BFADLO CC/C(C)=C/c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904263213 637395113 /nfs/dbraw/zinc/39/51/13/637395113.db2.gz ULDBHFZQQJVKSV-BQYQJAHWSA-N 1 2 244.298 2.836 20 0 BFADLO c1cc(C[NH2+]Cc2cccc(C3CC3)c2)no1 ZINC000148775914 637421174 /nfs/dbraw/zinc/42/11/74/637421174.db2.gz OTYLVJDHUYQXKB-UHFFFAOYSA-N 1 2 228.295 2.842 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000905033486 637554910 /nfs/dbraw/zinc/55/49/10/637554910.db2.gz AOXLXSNTDRXGTR-SNVBAGLBSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC(C)CC2)c(C)[nH+]1 ZINC000905075263 637606474 /nfs/dbraw/zinc/60/64/74/637606474.db2.gz VADWHAMGGSZUBJ-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO C/C(=C/c1c[nH+]cn1C(C)C)c1ncccn1 ZINC000905076184 637606751 /nfs/dbraw/zinc/60/67/51/637606751.db2.gz BZVMQMCGCLNFFT-XFFZJAGNSA-N 1 2 228.299 2.815 20 0 BFADLO CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905774020 637929857 /nfs/dbraw/zinc/92/98/57/637929857.db2.gz WVNJZRGQKSMMEW-JTQLQIEISA-N 1 2 234.343 2.925 20 0 BFADLO CCn1nc(C)cc1-c1ccc2[nH+]c(C)cn2c1 ZINC000906178057 638087286 /nfs/dbraw/zinc/08/72/86/638087286.db2.gz MPQLOEIAIBCQOM-UHFFFAOYSA-N 1 2 240.310 2.835 20 0 BFADLO Cc1[nH]cc(-c2cncc(OC(C)C)c2)[nH+]1 ZINC000906195378 638113648 /nfs/dbraw/zinc/11/36/48/638113648.db2.gz FXWRBEWUXXRYRE-UHFFFAOYSA-N 1 2 217.272 2.567 20 0 BFADLO Cc1cc(C)c(C(=O)NCCC2CCC2)c(C)[nH+]1 ZINC000906956099 638277797 /nfs/dbraw/zinc/27/77/97/638277797.db2.gz SNUQQXHUHIXUCK-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000907595100 638417090 /nfs/dbraw/zinc/41/70/90/638417090.db2.gz TXZXTNLTHUZHAH-ZANVPECISA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000908133504 638578026 /nfs/dbraw/zinc/57/80/26/638578026.db2.gz MQSRJXHDISARIW-OLZOCXBDSA-N 1 2 244.338 2.631 20 0 BFADLO CC/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000908673239 639050217 /nfs/dbraw/zinc/05/02/17/639050217.db2.gz GXVAHXPTUZZQMG-VOTSOKGWSA-N 1 2 232.327 2.703 20 0 BFADLO CC(F)(F)CCC[N@@H+]1Cc2cccnc2C1 ZINC000930305356 639681761 /nfs/dbraw/zinc/68/17/61/639681761.db2.gz CKYNZEKUJQNPLL-UHFFFAOYSA-N 1 2 226.270 2.833 20 0 BFADLO CC(F)(F)CCC[N@H+]1Cc2cccnc2C1 ZINC000930305356 639681763 /nfs/dbraw/zinc/68/17/63/639681763.db2.gz CKYNZEKUJQNPLL-UHFFFAOYSA-N 1 2 226.270 2.833 20 0 BFADLO Fc1cccc(CC[N@@H+]2Cc3cccnc3C2)c1 ZINC000930308619 639697094 /nfs/dbraw/zinc/69/70/94/639697094.db2.gz ZOWQVAPVEFXAEI-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc(CC[N@H+]2Cc3cccnc3C2)c1 ZINC000930308619 639697098 /nfs/dbraw/zinc/69/70/98/639697098.db2.gz ZOWQVAPVEFXAEI-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1nnc(OC)s1 ZINC000930525460 639801417 /nfs/dbraw/zinc/80/14/17/639801417.db2.gz HJYAGGATNCGIKC-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1nnc(OC)s1 ZINC000930525460 639801420 /nfs/dbraw/zinc/80/14/20/639801420.db2.gz HJYAGGATNCGIKC-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000930582968 639813721 /nfs/dbraw/zinc/81/37/21/639813721.db2.gz SBCLXFCCMMUHKQ-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)[C@H]1C ZINC000930582968 639813722 /nfs/dbraw/zinc/81/37/22/639813722.db2.gz SBCLXFCCMMUHKQ-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccccc1CF ZINC000930915559 639986655 /nfs/dbraw/zinc/98/66/55/639986655.db2.gz JPWOMDHZNALWOV-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1CF ZINC000930915559 639986662 /nfs/dbraw/zinc/98/66/62/639986662.db2.gz JPWOMDHZNALWOV-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1ccccc1CF ZINC000930915559 639986666 /nfs/dbraw/zinc/98/66/66/639986666.db2.gz JPWOMDHZNALWOV-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccccc1CF ZINC000930915559 639986669 /nfs/dbraw/zinc/98/66/69/639986669.db2.gz JPWOMDHZNALWOV-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931140797 640070862 /nfs/dbraw/zinc/07/08/62/640070862.db2.gz ZGLKHABMUYDYDK-NEPJUHHUSA-N 1 2 236.363 2.624 20 0 BFADLO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931140797 640070870 /nfs/dbraw/zinc/07/08/70/640070870.db2.gz ZGLKHABMUYDYDK-NEPJUHHUSA-N 1 2 236.363 2.624 20 0 BFADLO CC1CCC(C[N@@H+]2CCC[C@H]2c2nc[nH]n2)CC1 ZINC000931140834 640076827 /nfs/dbraw/zinc/07/68/27/640076827.db2.gz JEVUMPYHNLHMFK-BPCQOVAHSA-N 1 2 248.374 2.768 20 0 BFADLO CC1CCC(C[N@H+]2CCC[C@H]2c2nc[nH]n2)CC1 ZINC000931140834 640076832 /nfs/dbraw/zinc/07/68/32/640076832.db2.gz JEVUMPYHNLHMFK-BPCQOVAHSA-N 1 2 248.374 2.768 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC000931420783 640189423 /nfs/dbraw/zinc/18/94/23/640189423.db2.gz JGPAOIHSYVKSIV-JTQLQIEISA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC000931420783 640189429 /nfs/dbraw/zinc/18/94/29/640189429.db2.gz JGPAOIHSYVKSIV-JTQLQIEISA-N 1 2 203.276 2.906 20 0 BFADLO CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931393160 640176221 /nfs/dbraw/zinc/17/62/21/640176221.db2.gz CYFHWVNWIOUHBZ-CQSZACIVSA-N 1 2 245.301 2.516 20 0 BFADLO CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931393160 640176225 /nfs/dbraw/zinc/17/62/25/640176225.db2.gz CYFHWVNWIOUHBZ-CQSZACIVSA-N 1 2 245.301 2.516 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CC[C@H]2C(F)F)c1 ZINC000931424542 640194082 /nfs/dbraw/zinc/19/40/82/640194082.db2.gz AZJANBAZNRYJGA-NSHDSACASA-N 1 2 226.270 2.538 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2CC(C)C2)c(C)[nH+]1 ZINC000912826943 640215071 /nfs/dbraw/zinc/21/50/71/640215071.db2.gz DWAXDBXXOAYRPS-UHFFFAOYSA-N 1 2 246.354 2.783 20 0 BFADLO COc1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932525922 640562549 /nfs/dbraw/zinc/56/25/49/640562549.db2.gz MMAIMESNAMSNBP-UHFFFAOYSA-N 1 2 242.322 2.513 20 0 BFADLO COc1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC000932525922 640562557 /nfs/dbraw/zinc/56/25/57/640562557.db2.gz MMAIMESNAMSNBP-UHFFFAOYSA-N 1 2 242.322 2.513 20 0 BFADLO Clc1cnc(C[NH2+]Cc2cncs2)s1 ZINC000225383451 640687084 /nfs/dbraw/zinc/68/70/84/640687084.db2.gz LLVSCYATRVTXAY-UHFFFAOYSA-N 1 2 245.760 2.543 20 0 BFADLO Cc1cc(-c2cncc(OC(C)C)c2)c[nH+]c1N ZINC000129749558 640703385 /nfs/dbraw/zinc/70/33/85/640703385.db2.gz ZDBLEWARGXGGQV-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Cc1noc(C)c1CNc1ccc([NH+](C)C)cc1 ZINC000058479054 640711080 /nfs/dbraw/zinc/71/10/80/640711080.db2.gz ABECXIMHMJBXND-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1ccc(OCC[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000167357275 640714106 /nfs/dbraw/zinc/71/41/06/640714106.db2.gz CVZTVSITUBWZNT-CQSZACIVSA-N 1 2 244.338 2.609 20 0 BFADLO Cc1ccc(OCC[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000167357275 640714109 /nfs/dbraw/zinc/71/41/09/640714109.db2.gz CVZTVSITUBWZNT-CQSZACIVSA-N 1 2 244.338 2.609 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1c(C)cccc1C ZINC000933763080 640765811 /nfs/dbraw/zinc/76/58/11/640765811.db2.gz OVAHWWGYOQAVBH-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1c(C)cccc1C ZINC000933763080 640765816 /nfs/dbraw/zinc/76/58/16/640765816.db2.gz OVAHWWGYOQAVBH-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1oncc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934001752 640801546 /nfs/dbraw/zinc/80/15/46/640801546.db2.gz IUMVPHIVKOXXBI-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1oncc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001752 640801549 /nfs/dbraw/zinc/80/15/49/640801549.db2.gz IUMVPHIVKOXXBI-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO c1cc(C[N@@H+](Cc2cncs2)C2CC2)co1 ZINC000934003781 640803177 /nfs/dbraw/zinc/80/31/77/640803177.db2.gz JTYNHHDSZAMNMN-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1cc(C[N@H+](Cc2cncs2)C2CC2)co1 ZINC000934003781 640803181 /nfs/dbraw/zinc/80/31/81/640803181.db2.gz JTYNHHDSZAMNMN-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccoc2)C2CC2)cn1 ZINC000934006666 640806840 /nfs/dbraw/zinc/80/68/40/640806840.db2.gz OFRRTEUUUVSKTO-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccoc2)C2CC2)cn1 ZINC000934006666 640806844 /nfs/dbraw/zinc/80/68/44/640806844.db2.gz OFRRTEUUUVSKTO-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[C@H]1CC[C@H](C)N1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934578575 641208156 /nfs/dbraw/zinc/20/81/56/641208156.db2.gz FRIRDSSSRQGOFQ-UWVGGRQHSA-N 1 2 243.310 2.576 20 0 BFADLO CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC000929698683 641405793 /nfs/dbraw/zinc/40/57/93/641405793.db2.gz SUTCNRDNQAUPEU-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000043642119 641571784 /nfs/dbraw/zinc/57/17/84/641571784.db2.gz CTMNIWANMVTMFJ-GFCCVEGCSA-N 1 2 249.354 2.505 20 0 BFADLO Cc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)s1 ZINC000915209267 641809259 /nfs/dbraw/zinc/80/92/59/641809259.db2.gz LQGDTBDSZOCZDG-QMMMGPOBSA-N 1 2 245.417 2.916 20 0 BFADLO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)s1 ZINC000915209267 641809254 /nfs/dbraw/zinc/80/92/54/641809254.db2.gz LQGDTBDSZOCZDG-QMMMGPOBSA-N 1 2 245.417 2.916 20 0 BFADLO Cc1cc(NC(=O)COC2CCCCC2)cc[nH+]1 ZINC000078892593 641964796 /nfs/dbraw/zinc/96/47/96/641964796.db2.gz LOBSATBHKSVUHD-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO C[N@H+](CCC1CC1)Cc1c(F)cncc1F ZINC000930060783 642303571 /nfs/dbraw/zinc/30/35/71/642303571.db2.gz LVGOXALXLKXQRT-UHFFFAOYSA-N 1 2 226.270 2.592 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1c(F)cncc1F ZINC000930060783 642303574 /nfs/dbraw/zinc/30/35/74/642303574.db2.gz LVGOXALXLKXQRT-UHFFFAOYSA-N 1 2 226.270 2.592 20 0 BFADLO CO[C@@H](C)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150903 642304663 /nfs/dbraw/zinc/30/46/63/642304663.db2.gz PFSQVIJCPDSMSW-LBPRGKRZSA-N 1 2 230.311 2.509 20 0 BFADLO CCC[C@H](C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923868840 642369292 /nfs/dbraw/zinc/36/92/92/642369292.db2.gz OPZDDUZYMAXSLT-IVZWLZJFSA-N 1 2 246.314 2.967 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)[C@@H]1CCSC1 ZINC000308157481 642466101 /nfs/dbraw/zinc/46/61/01/642466101.db2.gz PRRFBMDGCUGQLN-RXLGXGPVSA-N 1 2 226.172 2.743 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)[C@@H]1CCSC1 ZINC000308157481 642466107 /nfs/dbraw/zinc/46/61/07/642466107.db2.gz PRRFBMDGCUGQLN-RXLGXGPVSA-N 1 2 226.172 2.743 20 0 BFADLO Cc1cc(NC(=O)c2ccsc2)cc[nH+]1 ZINC000073069320 642513973 /nfs/dbraw/zinc/51/39/73/642513973.db2.gz HDRZFHYWDNUKQM-UHFFFAOYSA-N 1 2 218.281 2.704 20 0 BFADLO Cc1cnc(Cl)c(C[NH2+]Cc2ccco2)c1 ZINC000921474460 642633498 /nfs/dbraw/zinc/63/34/98/642633498.db2.gz ZEBJDPSJGXXJBX-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO C=CCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175472246 642686346 /nfs/dbraw/zinc/68/63/46/642686346.db2.gz HTIFCUNXICECRI-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO C=CCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175472246 642686350 /nfs/dbraw/zinc/68/63/50/642686350.db2.gz HTIFCUNXICECRI-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO Cc1cc(NC(=O)C[C@@H](C)C2CC2)cc[nH+]1 ZINC000068014649 642733607 /nfs/dbraw/zinc/73/36/07/642733607.db2.gz NSBBOLYHRNIOJI-SECBINFHSA-N 1 2 218.300 2.765 20 0 BFADLO C[C@H](c1ncccn1)[N@H+](C)Cc1ccccc1 ZINC000929211107 642772882 /nfs/dbraw/zinc/77/28/82/642772882.db2.gz DUCQHPMIIBBOTP-GFCCVEGCSA-N 1 2 227.311 2.670 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+](C)Cc1ccccc1 ZINC000929211107 642772890 /nfs/dbraw/zinc/77/28/90/642772890.db2.gz DUCQHPMIIBBOTP-GFCCVEGCSA-N 1 2 227.311 2.670 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2ccccn2)n1 ZINC000069168454 642834776 /nfs/dbraw/zinc/83/47/76/642834776.db2.gz CQLXBCHGTQKIOP-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CC[N@H+](CC1CC1)Cn1nc(C)sc1=S ZINC000069797436 642914849 /nfs/dbraw/zinc/91/48/49/642914849.db2.gz MSNKFKWKBKOXGP-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO CC[N@@H+](CC1CC1)Cn1nc(C)sc1=S ZINC000069797436 642914861 /nfs/dbraw/zinc/91/48/61/642914861.db2.gz MSNKFKWKBKOXGP-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353684972 642927024 /nfs/dbraw/zinc/92/70/24/642927024.db2.gz HZCIVYMSHZYAED-VXNVDRBHSA-N 1 2 247.264 2.718 20 0 BFADLO Cc1nonc1C[NH2+][C@H]1CCCc2sccc21 ZINC000070261837 643007977 /nfs/dbraw/zinc/00/79/77/643007977.db2.gz NOWAHHBPXUEINU-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccccc1Cl ZINC000080625510 643287939 /nfs/dbraw/zinc/28/79/39/643287939.db2.gz LXIKZUMPCQAQGN-AATRIKPKSA-N 1 2 232.670 2.959 20 0 BFADLO CSCc1cnc(C[N@@H+]2C[C@H](C)[C@H]2C)s1 ZINC000816646919 643553849 /nfs/dbraw/zinc/55/38/49/643553849.db2.gz KVLAXQKFLZSJLK-DTWKUNHWSA-N 1 2 242.413 2.846 20 0 BFADLO CSCc1cnc(C[N@H+]2C[C@H](C)[C@H]2C)s1 ZINC000816646919 643553854 /nfs/dbraw/zinc/55/38/54/643553854.db2.gz KVLAXQKFLZSJLK-DTWKUNHWSA-N 1 2 242.413 2.846 20 0 BFADLO CSCc1cnc(C[N@@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000816646920 643555671 /nfs/dbraw/zinc/55/56/71/643555671.db2.gz KVLAXQKFLZSJLK-IUCAKERBSA-N 1 2 242.413 2.846 20 0 BFADLO CSCc1cnc(C[N@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000816646920 643555683 /nfs/dbraw/zinc/55/56/83/643555683.db2.gz KVLAXQKFLZSJLK-IUCAKERBSA-N 1 2 242.413 2.846 20 0 BFADLO CC[N@H+](CCC[C@@H](C)O)c1ccc(C)cc1 ZINC000049988765 643574933 /nfs/dbraw/zinc/57/49/33/643574933.db2.gz MUVAMRSTRTXJQN-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@@H](C)O)c1ccc(C)cc1 ZINC000049988765 643574937 /nfs/dbraw/zinc/57/49/37/643574937.db2.gz MUVAMRSTRTXJQN-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO Clc1n[nH]c(C2CC2)c1CNc1cccc[nH+]1 ZINC000921561833 643612170 /nfs/dbraw/zinc/61/21/70/643612170.db2.gz GVCIKSKCEJIZOS-UHFFFAOYSA-N 1 2 248.717 2.948 20 0 BFADLO CCC1(CC)C[NH+](Cc2cc3n(n2)CCCC3)C1 ZINC000656263475 643689877 /nfs/dbraw/zinc/68/98/77/643689877.db2.gz JJCCFJPFHLVLHF-UHFFFAOYSA-N 1 2 247.386 2.841 20 0 BFADLO CC[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000197866559 643733188 /nfs/dbraw/zinc/73/31/88/643733188.db2.gz UKRLIGXDKJIJCL-ZDUSSCGKSA-N 1 2 249.354 2.549 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922265581 643934057 /nfs/dbraw/zinc/93/40/57/643934057.db2.gz TXHCWXSMTFFRJJ-UHFFFAOYSA-N 1 2 244.285 2.558 20 0 BFADLO Nc1[nH+]cccc1COC(=O)CC1=CCCCC1 ZINC000922420702 643989902 /nfs/dbraw/zinc/98/99/02/643989902.db2.gz JTLCCDWYYALYAQ-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C[C@@H]1CCC[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922484127 644002066 /nfs/dbraw/zinc/00/20/66/644002066.db2.gz IXTJMTMMSNHBMT-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H](C(=O)OCc1ccc[nH+]c1N)C1CCCC1 ZINC000922509390 644007389 /nfs/dbraw/zinc/00/73/89/644007389.db2.gz FBDSFDSLPXTDNX-SNVBAGLBSA-N 1 2 248.326 2.533 20 0 BFADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000922521883 644012028 /nfs/dbraw/zinc/01/20/28/644012028.db2.gz ZZXWJYBXLWLPJY-OCCSQVGLSA-N 1 2 246.285 2.576 20 0 BFADLO C[C@H]1CC[C@@H](CC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922524453 644012865 /nfs/dbraw/zinc/01/28/65/644012865.db2.gz KRJIPQQKCYUJJF-WDEREUQCSA-N 1 2 248.326 2.533 20 0 BFADLO CC1(C)CC[C@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922597587 644041249 /nfs/dbraw/zinc/04/12/49/644041249.db2.gz QTIVZCJSODEDSG-JTQLQIEISA-N 1 2 248.326 2.533 20 0 BFADLO CCC(C)(CC)C(=O)OCc1ccc[nH+]c1N ZINC000922613324 644041956 /nfs/dbraw/zinc/04/19/56/644041956.db2.gz NDHOEVBENZCDOQ-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@@H](C)CCC(=O)OCc1ccc[nH+]c1N ZINC000922727225 644076154 /nfs/dbraw/zinc/07/61/54/644076154.db2.gz PRKLJXCHZCVLAG-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO Fc1cc(C[NH2+]Cc2ccon2)ccc1Cl ZINC000086452646 644138662 /nfs/dbraw/zinc/13/86/62/644138662.db2.gz HAYRPUOCPMOCOJ-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO O=C(OCCn1cc[nH+]c1)[C@@H]1CCC=CCCC1 ZINC000923037794 644243695 /nfs/dbraw/zinc/24/36/95/644243695.db2.gz UZQBZVWSLLJIBX-CYBMUJFWSA-N 1 2 248.326 2.563 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccoc1)CC2 ZINC000093383807 644688886 /nfs/dbraw/zinc/68/88/86/644688886.db2.gz OXELTPASVSTAEW-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1ccoc1)CC2 ZINC000093383807 644688889 /nfs/dbraw/zinc/68/88/89/644688889.db2.gz OXELTPASVSTAEW-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Cc1cc(NC(=O)C=C2CCSCC2)cc[nH+]1 ZINC000093332387 644689968 /nfs/dbraw/zinc/68/99/68/644689968.db2.gz RCEOKVMKRFGMGT-UHFFFAOYSA-N 1 2 248.351 2.782 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094954911 644735723 /nfs/dbraw/zinc/73/57/23/644735723.db2.gz WJOIUCURENXRPV-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](C/C=C\Cl)CCO2 ZINC000796434481 644812231 /nfs/dbraw/zinc/81/22/31/644812231.db2.gz MANFORCQEKFADJ-DJWKRKHSSA-N 1 2 237.730 2.942 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](C/C=C\Cl)CCO2 ZINC000796434481 644812234 /nfs/dbraw/zinc/81/22/34/644812234.db2.gz MANFORCQEKFADJ-DJWKRKHSSA-N 1 2 237.730 2.942 20 0 BFADLO Cc1cc(CNC(=O)C[C@H](C)C2CC2)cc(C)[nH+]1 ZINC000817459412 644983274 /nfs/dbraw/zinc/98/32/74/644983274.db2.gz YNQYZRAMDAHYST-JTQLQIEISA-N 1 2 246.354 2.751 20 0 BFADLO C/C=C(\CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458086 644984087 /nfs/dbraw/zinc/98/40/87/644984087.db2.gz BEQFOAPGHPAMHP-WLRTZDKTSA-N 1 2 232.327 2.671 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2cc(C)ccc21 ZINC000841866096 645234964 /nfs/dbraw/zinc/23/49/64/645234964.db2.gz DYCKQPGTIUSTQK-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000926662971 645343172 /nfs/dbraw/zinc/34/31/72/645343172.db2.gz SLKRWXGRPSHUIM-IACUBPJLSA-N 1 2 244.338 2.995 20 0 BFADLO C[C@@H](CC(=O)O[C@@H]1CCC12CCC2)n1cc[nH+]c1 ZINC000845608163 645370930 /nfs/dbraw/zinc/37/09/30/645370930.db2.gz KMFMHOFDOOMXKQ-NWDGAFQWSA-N 1 2 248.326 2.710 20 0 BFADLO CC[C@H]1COC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000926855318 645456972 /nfs/dbraw/zinc/45/69/72/645456972.db2.gz JOKGBHXTHJHTES-WCQYABFASA-N 1 2 220.316 2.535 20 0 BFADLO CC1=CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930306863 645949289 /nfs/dbraw/zinc/94/92/89/645949289.db2.gz PHXLKUSCSOAZPH-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO CC1=CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930306863 645949292 /nfs/dbraw/zinc/94/92/92/645949292.db2.gz PHXLKUSCSOAZPH-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO CCS[C@H](C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923953780 645965214 /nfs/dbraw/zinc/96/52/14/645965214.db2.gz YIIPKHOPKKVMBY-HTQZYQBOSA-N 1 2 229.349 2.506 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cc(C)nnc2C)o1 ZINC000929213348 646009374 /nfs/dbraw/zinc/00/93/74/646009374.db2.gz GJGHVVQLSFJPQD-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cc(C)nnc2C)o1 ZINC000929213348 646009380 /nfs/dbraw/zinc/00/93/80/646009380.db2.gz GJGHVVQLSFJPQD-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC(C)CC[N@H+](Cc1nncs1)C1CC1 ZINC000929274146 646038562 /nfs/dbraw/zinc/03/85/62/646038562.db2.gz AZRNIJGPBBRDSK-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC(C)CC[N@@H+](Cc1nncs1)C1CC1 ZINC000929274146 646038569 /nfs/dbraw/zinc/03/85/69/646038569.db2.gz AZRNIJGPBBRDSK-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO COc1ccnc([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000924538906 646059336 /nfs/dbraw/zinc/05/93/36/646059336.db2.gz FMGJZOBYMXNIRV-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO CC[N@H+](CCc1ccccc1)Cc1nncs1 ZINC000929282107 646059893 /nfs/dbraw/zinc/05/98/93/646059893.db2.gz GXGXTHRYICWKIY-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CC[N@@H+](CCc1ccccc1)Cc1nncs1 ZINC000929282107 646059897 /nfs/dbraw/zinc/05/98/97/646059897.db2.gz GXGXTHRYICWKIY-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO Cc1cn(C)nc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000929283461 646060288 /nfs/dbraw/zinc/06/02/88/646060288.db2.gz JENLSONEVNJVAI-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cn(C)nc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000929283461 646060285 /nfs/dbraw/zinc/06/02/85/646060285.db2.gz JENLSONEVNJVAI-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO CC[N@H+](Cc1nc(C(C)C)ns1)C(C)C ZINC000929316868 646077809 /nfs/dbraw/zinc/07/78/09/646077809.db2.gz SGKRFOZDCDJHJF-UHFFFAOYSA-N 1 2 227.377 2.892 20 0 BFADLO CC[N@@H+](Cc1nc(C(C)C)ns1)C(C)C ZINC000929316868 646077813 /nfs/dbraw/zinc/07/78/13/646077813.db2.gz SGKRFOZDCDJHJF-UHFFFAOYSA-N 1 2 227.377 2.892 20 0 BFADLO CC[N@H+](Cc1c(F)cncc1F)C(C)C ZINC000929316008 646077850 /nfs/dbraw/zinc/07/78/50/646077850.db2.gz PNAKABZMACAWSH-UHFFFAOYSA-N 1 2 214.259 2.590 20 0 BFADLO CC[N@@H+](Cc1c(F)cncc1F)C(C)C ZINC000929316008 646077854 /nfs/dbraw/zinc/07/78/54/646077854.db2.gz PNAKABZMACAWSH-UHFFFAOYSA-N 1 2 214.259 2.590 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nn(C)cc2C)s1 ZINC000929501069 646155084 /nfs/dbraw/zinc/15/50/84/646155084.db2.gz ISXKWYGSUNCOIK-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nn(C)cc2C)s1 ZINC000929501069 646155088 /nfs/dbraw/zinc/15/50/88/646155088.db2.gz ISXKWYGSUNCOIK-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000925166677 646199429 /nfs/dbraw/zinc/19/94/29/646199429.db2.gz PTWDLIZCDSDVBI-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO CC(C)[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929906905 646370683 /nfs/dbraw/zinc/37/06/83/646370683.db2.gz DWZFEIFHTAECOU-SNVBAGLBSA-N 1 2 245.326 2.679 20 0 BFADLO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000926025645 646562101 /nfs/dbraw/zinc/56/21/01/646562101.db2.gz HEHZTBJJMYZRNK-JYAVWHMHSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@H]1COC[C@@H](C)[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000926025645 646562106 /nfs/dbraw/zinc/56/21/06/646562106.db2.gz HEHZTBJJMYZRNK-JYAVWHMHSA-N 1 2 248.370 2.836 20 0 BFADLO CO[C@H](C)C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926242499 646603088 /nfs/dbraw/zinc/60/30/88/646603088.db2.gz BLQQSNKSOWCZCC-MNOVXSKESA-N 1 2 243.297 2.791 20 0 BFADLO Cc1cscc1C[NH2+][C@@H](C)c1nonc1C ZINC000926300724 646612999 /nfs/dbraw/zinc/61/29/99/646612999.db2.gz CKZFBRIGNRAJNN-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cl/C=C\C[NH2+]Cc1csc(C2CC2)n1 ZINC000708239980 712183672 /nfs/dbraw/zinc/18/36/72/712183672.db2.gz JETLGRKWTQXOLB-RJRFIUFISA-N 1 2 228.748 2.863 20 0 BFADLO COc1ccc[nH+]c1NCC[C@@H]1CCCS1 ZINC000715638248 712529231 /nfs/dbraw/zinc/52/92/31/712529231.db2.gz WNZPVQNTQKXLGI-JTQLQIEISA-N 1 2 238.356 2.788 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccon2)cs1 ZINC000381628045 710664633 /nfs/dbraw/zinc/66/46/33/710664633.db2.gz USSNOKUSMBZKBH-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO C[C@@H]1C[C@H](COc2cc[nH+]cc2)C[C@H](C)O1 ZINC000902732699 710886917 /nfs/dbraw/zinc/88/69/17/710886917.db2.gz ATALBKOYKDXFGT-GDNZZTSVSA-N 1 2 221.300 2.664 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1cnsn1 ZINC000399857628 710911763 /nfs/dbraw/zinc/91/17/63/710911763.db2.gz VHXVYTKWNDOKOR-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CNc1cc(N[C@@H](C)Cc2cccs2)[nH+]cn1 ZINC000133355857 710970286 /nfs/dbraw/zinc/97/02/86/710970286.db2.gz WRUWCHVMTSCEIO-VIFPVBQESA-N 1 2 248.355 2.623 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2)on1 ZINC000383423586 710982152 /nfs/dbraw/zinc/98/21/52/710982152.db2.gz ZMJCQDDDSKAKPB-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc2c(c1)CCO2 ZINC000389972473 711102412 /nfs/dbraw/zinc/10/24/12/711102412.db2.gz XGMLXYXFKXUDMJ-RKDXNWHRSA-N 1 2 241.281 2.926 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@H](C)[C@H]2C)ccc1[NH+](C)C ZINC000926052517 711478117 /nfs/dbraw/zinc/47/81/17/711478117.db2.gz INIKVEJEEVWHQI-YRGRVCCFSA-N 1 2 248.370 2.896 20 0 BFADLO c1ccc(N[C@@H](C2CC2)[C@@H]2CCCOC2)[nH+]c1 ZINC000723868283 711540532 /nfs/dbraw/zinc/54/05/32/711540532.db2.gz DWBMMPJBMNUILO-OCCSQVGLSA-N 1 2 232.327 2.699 20 0 BFADLO C[C@@H]([NH2+]CCC1=CCCC1)C(=O)OC(C)(C)C ZINC000229067365 711837272 /nfs/dbraw/zinc/83/72/72/711837272.db2.gz TXQSCWAEHMOKMP-LLVKDONJSA-N 1 2 239.359 2.807 20 0 BFADLO Cc1ncc(CNc2ccc([NH+](C)C)cc2)o1 ZINC000700834508 712007196 /nfs/dbraw/zinc/00/71/96/712007196.db2.gz ABZMQRZVJBJRQJ-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000705259180 712127162 /nfs/dbraw/zinc/12/71/62/712127162.db2.gz PXPNMCWTODGXJU-QWHCGFSZSA-N 1 2 246.354 2.591 20 0 BFADLO Cl/C=C/C[NH2+]Cc1csc(C2CC2)n1 ZINC000708239979 712184065 /nfs/dbraw/zinc/18/40/65/712184065.db2.gz JETLGRKWTQXOLB-DAFODLJHSA-N 1 2 228.748 2.863 20 0 BFADLO C[C@@H](C[N@H+](CCO)CC(F)F)CC(C)(C)C ZINC000709168025 712196170 /nfs/dbraw/zinc/19/61/70/712196170.db2.gz SBGQNKZXEDWDKV-SNVBAGLBSA-N 1 2 237.334 2.618 20 0 BFADLO C[C@@H](C[N@@H+](CCO)CC(F)F)CC(C)(C)C ZINC000709168025 712196173 /nfs/dbraw/zinc/19/61/73/712196173.db2.gz SBGQNKZXEDWDKV-SNVBAGLBSA-N 1 2 237.334 2.618 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1COC[C@@H]1C ZINC000710903039 712261966 /nfs/dbraw/zinc/26/19/66/712261966.db2.gz XXSQEFKXBRPAJI-SMDDNHRTSA-N 1 2 234.343 2.508 20 0 BFADLO Cc1ccc(C[NH+]2CCSCC2)c(Cl)n1 ZINC000711173449 712287557 /nfs/dbraw/zinc/28/75/57/712287557.db2.gz ULWNSPHPGDJKKG-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO Cc1nc(NCC2C[C@H]3CC[C@@H](C2)S3)cc[nH+]1 ZINC000716050466 712548370 /nfs/dbraw/zinc/54/83/70/712548370.db2.gz TTXMRNIEPMFNLB-YOGCLGLASA-N 1 2 249.383 2.871 20 0 BFADLO CC(C)[N@H+](C/C(Cl)=C\Cl)[C@H]1CCOC1 ZINC000812861399 712586963 /nfs/dbraw/zinc/58/69/63/712586963.db2.gz UCFCNEOSAWRASL-CYNRKNSPSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)[N@@H+](C/C(Cl)=C\Cl)[C@H]1CCOC1 ZINC000812861399 712586964 /nfs/dbraw/zinc/58/69/64/712586964.db2.gz UCFCNEOSAWRASL-CYNRKNSPSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1nc(NCC[C@H]2CCC3(CCC3)O2)cc[nH+]1 ZINC000717088561 712630224 /nfs/dbraw/zinc/63/02/24/712630224.db2.gz IUZSNGRDJHDVIP-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO C[C@@H]1CCC[C@H](Oc2cc(N)cc[nH+]2)[C@@H]1C ZINC001218352660 959989021 /nfs/dbraw/zinc/98/90/21/959989021.db2.gz JNJICRCBPVJZGV-FOGDFJRCSA-N 1 2 220.316 2.867 20 0 BFADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@@H]1C ZINC001143487174 960132593 /nfs/dbraw/zinc/13/25/93/960132593.db2.gz JZAYDSFOTHVNPL-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@@H]1C ZINC001143487174 960132600 /nfs/dbraw/zinc/13/26/00/960132600.db2.gz JZAYDSFOTHVNPL-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)C1(Cl)CC1 ZINC000695687410 960369887 /nfs/dbraw/zinc/36/98/87/960369887.db2.gz YGDSTZWCEGNONB-HTQZYQBOSA-N 1 2 223.694 2.924 20 0 BFADLO Fc1cnc(Cl)cc1C[NH+]1CCCCC1 ZINC001140603209 960452720 /nfs/dbraw/zinc/45/27/20/960452720.db2.gz FKYGRYMWQRKEHI-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cnccc1C(F)(F)F ZINC001140915231 960674669 /nfs/dbraw/zinc/67/46/69/960674669.db2.gz HXDVAVRSFPPMFC-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cnccc1C(F)(F)F ZINC001140915231 960674686 /nfs/dbraw/zinc/67/46/86/960674686.db2.gz HXDVAVRSFPPMFC-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO CCCc1nccnc1NC(=[NH2+])C(C)(C)C ZINC001155181819 963003784 /nfs/dbraw/zinc/00/37/84/963003784.db2.gz SBDXRRNUIOEPOG-UHFFFAOYSA-N 1 2 220.320 2.864 20 0 BFADLO Cc1cc(Cl)c(C)c(N[C@H]2C[C@@H](CO)C2)[nH+]1 ZINC001157460390 963620242 /nfs/dbraw/zinc/62/02/42/963620242.db2.gz ISIXZARFTAWLGY-AOOOYVTPSA-N 1 2 240.734 2.535 20 0 BFADLO COc1ccc(C)[nH+]c1N(C)C1CC(F)(F)C1 ZINC001163765934 965573318 /nfs/dbraw/zinc/57/33/18/965573318.db2.gz GGAJFFWYARNBKA-UHFFFAOYSA-N 1 2 242.269 2.633 20 0 BFADLO Cc1cc(Cl)cc(C)c1OC1C[NH+](C)C1 ZINC001234355255 965813748 /nfs/dbraw/zinc/81/37/48/965813748.db2.gz ZZLLULICQREABU-UHFFFAOYSA-N 1 2 225.719 2.650 20 0 BFADLO Cc1cc(NC[C@H]2CCCCO2)c[nH+]c1C ZINC001165228522 965992935 /nfs/dbraw/zinc/99/29/35/965992935.db2.gz CIAMVTWNSOBYJV-CYBMUJFWSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1ccc(Nc2cnc(Cl)nc2)c(C)[nH+]1 ZINC001203363266 966615082 /nfs/dbraw/zinc/61/50/82/966615082.db2.gz OKEBXMRFDRKFDZ-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCOc1ccc2[nH+]c(CC)n(C)c2c1 ZINC001250426517 967842727 /nfs/dbraw/zinc/84/27/27/967842727.db2.gz HUVQGWQNDIKIHT-UHFFFAOYSA-N 1 2 204.273 2.534 20 0 BFADLO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001208183020 969111731 /nfs/dbraw/zinc/11/17/31/969111731.db2.gz WMXRUDUNOCYBDA-XQQFMLRXSA-N 1 2 239.334 2.592 20 0 BFADLO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001208183020 969111743 /nfs/dbraw/zinc/11/17/43/969111743.db2.gz WMXRUDUNOCYBDA-XQQFMLRXSA-N 1 2 239.334 2.592 20 0 BFADLO CCCN(C)c1cc(C(C)C)[nH+]c(C)n1 ZINC001156874530 970014391 /nfs/dbraw/zinc/01/43/91/970014391.db2.gz TVWYNURVAWANCU-UHFFFAOYSA-N 1 2 207.321 2.755 20 0 BFADLO [NH2+]=CNc1nccc2ccc(Cl)cc21 ZINC001157077395 970076688 /nfs/dbraw/zinc/07/66/88/970076688.db2.gz BKYUCUIBDNNHFV-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)CC(F)(F)F)n(C)n1 ZINC001255659385 970437297 /nfs/dbraw/zinc/43/72/97/970437297.db2.gz XZZWPIGSRWCCHB-VIFPVBQESA-N 1 2 249.280 2.501 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)CC(F)(F)F)n(C)n1 ZINC001255659385 970437305 /nfs/dbraw/zinc/43/73/05/970437305.db2.gz XZZWPIGSRWCCHB-VIFPVBQESA-N 1 2 249.280 2.501 20 0 BFADLO Cc1ncc(-c2cc(N(C)C)cc[nH+]2)s1 ZINC001243377288 970505679 /nfs/dbraw/zinc/50/56/79/970505679.db2.gz IEYDQSBDQVSPFL-UHFFFAOYSA-N 1 2 219.313 2.580 20 0 BFADLO CCCCCCc1nnc(C2([NH+](C)C)CC2)o1 ZINC001256361983 970760481 /nfs/dbraw/zinc/76/04/81/970760481.db2.gz JKYRXNROUSXJLN-UHFFFAOYSA-N 1 2 237.347 2.743 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1Nc1cn[nH]c1 ZINC001174294726 976474555 /nfs/dbraw/zinc/47/45/55/976474555.db2.gz HYKCQGUILJUBFJ-UHFFFAOYSA-N 1 2 216.288 2.980 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ncccc2Cl)C1 ZINC001231958439 977810213 /nfs/dbraw/zinc/81/02/13/977810213.db2.gz YDBTZVZDYVZETQ-UWVGGRQHSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ncccc2Cl)C1 ZINC001231958439 977810217 /nfs/dbraw/zinc/81/02/17/977810217.db2.gz YDBTZVZDYVZETQ-UWVGGRQHSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1scnc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001232210284 977924675 /nfs/dbraw/zinc/92/46/75/977924675.db2.gz LYWGDNOUMZKTCR-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1scnc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001232210284 977924688 /nfs/dbraw/zinc/92/46/88/977924688.db2.gz LYWGDNOUMZKTCR-SNVBAGLBSA-N 1 2 228.336 2.776 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ccnc(C(F)(F)F)c1 ZINC001232236881 977971077 /nfs/dbraw/zinc/97/10/77/977971077.db2.gz KXMFCEDEYLEOCD-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ccnc(C(F)(F)F)c1 ZINC001232236881 977971086 /nfs/dbraw/zinc/97/10/86/977971086.db2.gz KXMFCEDEYLEOCD-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2cnc(C)nc2)c1 ZINC001176394544 978067719 /nfs/dbraw/zinc/06/77/19/978067719.db2.gz YMANAAKXBHOCKF-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cccc(CF)n2)C1 ZINC001232534459 978162699 /nfs/dbraw/zinc/16/26/99/978162699.db2.gz DJVADMQECTXWRN-ZDUSSCGKSA-N 1 2 240.297 2.875 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cccc(CF)n2)C1 ZINC001232534459 978162706 /nfs/dbraw/zinc/16/27/06/978162706.db2.gz DJVADMQECTXWRN-ZDUSSCGKSA-N 1 2 240.297 2.875 20 0 BFADLO CC1CC[NH+](Cc2cc(O)c(F)c(F)c2)CC1 ZINC001232969340 978370889 /nfs/dbraw/zinc/37/08/89/978370889.db2.gz PUWNQYBTGHNCPK-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1Cl ZINC001236852438 979756464 /nfs/dbraw/zinc/75/64/64/979756464.db2.gz WLJTYCDEXVNYFD-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1Cl ZINC001236852438 979756475 /nfs/dbraw/zinc/75/64/75/979756475.db2.gz WLJTYCDEXVNYFD-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Oc1c(F)cc(C[NH+]2CCCC2)cc1Cl ZINC001237989801 980120300 /nfs/dbraw/zinc/12/03/00/980120300.db2.gz LFQBYQVNBKMHMV-UHFFFAOYSA-N 1 2 229.682 2.781 20 0 BFADLO CC[N@H+](C)Cc1cc(Cl)c(O)cc1F ZINC001238144867 980172277 /nfs/dbraw/zinc/17/22/77/980172277.db2.gz YJYXXBUFRMBZDU-UHFFFAOYSA-N 1 2 217.671 2.636 20 0 BFADLO CC[N@@H+](C)Cc1cc(Cl)c(O)cc1F ZINC001238144867 980172285 /nfs/dbraw/zinc/17/22/85/980172285.db2.gz YJYXXBUFRMBZDU-UHFFFAOYSA-N 1 2 217.671 2.636 20 0 BFADLO CCOc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1C ZINC001238652448 980306216 /nfs/dbraw/zinc/30/62/16/980306216.db2.gz PQEOQAXFYPHKKU-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1cc(F)c(F)cc1C[N@H+]1CC[C@H]1C ZINC001238652448 980306228 /nfs/dbraw/zinc/30/62/28/980306228.db2.gz PQEOQAXFYPHKKU-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CSc1ncc(C)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001238710358 980315083 /nfs/dbraw/zinc/31/50/83/980315083.db2.gz NTXSJXWGOCMUIX-LLVKDONJSA-N 1 2 240.347 2.656 20 0 BFADLO CSc1ncc(C)cc1C[N@H+]1CC[C@@H](F)C1 ZINC001238710358 980315091 /nfs/dbraw/zinc/31/50/91/980315091.db2.gz NTXSJXWGOCMUIX-LLVKDONJSA-N 1 2 240.347 2.656 20 0 BFADLO Cc1ccc(CSCCn2cc[nH+]c2)cn1 ZINC001346539838 980860774 /nfs/dbraw/zinc/86/07/74/980860774.db2.gz FBVCJQCRGOPPOP-UHFFFAOYSA-N 1 2 233.340 2.520 20 0 BFADLO CC(C)[NH2+]c1ccc(-n2cccc2N)cc1 ZINC001201491045 983258659 /nfs/dbraw/zinc/25/86/59/983258659.db2.gz KSXRSIXXKMRERM-UHFFFAOYSA-N 1 2 215.300 2.880 20 0 BFADLO CCCC[C@H](O)CNc1ccc(C)[nH+]c1C ZINC001252077953 983265741 /nfs/dbraw/zinc/26/57/41/983265741.db2.gz JLHCMPRNVIEBEK-LBPRGKRZSA-N 1 2 222.332 2.661 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(C(C)(C)O)cc1 ZINC001242627767 984008459 /nfs/dbraw/zinc/00/84/59/984008459.db2.gz RRGPJBRIIDMTQB-ZVSIBQGLSA-N 1 2 217.312 2.790 20 0 BFADLO Cn1c[nH+]cc1COC1CCC(F)(F)CC1 ZINC001222594367 972590978 /nfs/dbraw/zinc/59/09/78/972590978.db2.gz FZJWWAVWTFMCAG-UHFFFAOYSA-N 1 2 230.258 2.515 20 0 BFADLO C[C@H]1CCC[C@H](C)C1OCc1c[nH+]cn1C ZINC001222601017 972597329 /nfs/dbraw/zinc/59/73/29/972597329.db2.gz XJRJWGJLHHAGPC-QWRGUYRKSA-N 1 2 222.332 2.761 20 0 BFADLO CC[C@@H](C)[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144545129 972857434 /nfs/dbraw/zinc/85/74/34/972857434.db2.gz SSQWIBXLXSNPCY-MRVPVSSYSA-N 1 2 229.270 2.901 20 0 BFADLO CC[C@@H](C)[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144545129 972857445 /nfs/dbraw/zinc/85/74/45/972857445.db2.gz SSQWIBXLXSNPCY-MRVPVSSYSA-N 1 2 229.270 2.901 20 0 BFADLO Oc1c(F)cc(F)cc1-c1cccc2[nH+]ccn21 ZINC001243502652 970782180 /nfs/dbraw/zinc/78/21/80/970782180.db2.gz MLQVXPHIKQVZBE-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO COc1cccc(N(C)c2[nH+]cccc2N)c1C ZINC001215796836 970849134 /nfs/dbraw/zinc/84/91/34/970849134.db2.gz GDGGIFSYJNUUOM-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO Cc1cc(C)c(CNC(=O)c2ccsc2)c[nH+]1 ZINC001129713972 970876070 /nfs/dbraw/zinc/87/60/70/970876070.db2.gz JMAHSCMRJYRWEP-UHFFFAOYSA-N 1 2 246.335 2.690 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)cc(C)c1CO ZINC001216117696 970945983 /nfs/dbraw/zinc/94/59/83/970945983.db2.gz KICFPXMHHNRCSB-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO COc1cc[nH+]c(Nc2cccc(O)c2OC)c1 ZINC001216346497 971057928 /nfs/dbraw/zinc/05/79/28/971057928.db2.gz DARQTBNVBROPFL-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO Cc1cc(N)ccc1-c1cccn2cc[nH+]c12 ZINC001244366677 971219655 /nfs/dbraw/zinc/21/96/55/971219655.db2.gz ABUJZEVFEPUJNM-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CCCC(CCC)[NH2+]C1(C(=O)OCC)CC1 ZINC001257328508 971231880 /nfs/dbraw/zinc/23/18/80/971231880.db2.gz CKIMKUQIADWEPH-UHFFFAOYSA-N 1 2 227.348 2.641 20 0 BFADLO Cc1ccc(O)cc1-c1cc[nH+]c(N(C)C)c1 ZINC001244451379 971278745 /nfs/dbraw/zinc/27/87/45/971278745.db2.gz WSCUCHMIBJDUKP-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO CCCC[C@@H](CC)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001257418912 971305359 /nfs/dbraw/zinc/30/53/59/971305359.db2.gz PUEAAQYTBWHNMZ-SECBINFHSA-N 1 2 239.281 2.564 20 0 BFADLO CCCCCC[C@@H](CC)[N@@H+]1CCOC(=O)C1 ZINC001170604870 971325877 /nfs/dbraw/zinc/32/58/77/971325877.db2.gz XJQXEUXDFPQPGU-GFCCVEGCSA-N 1 2 227.348 2.594 20 0 BFADLO CCCCCC[C@@H](CC)[N@H+]1CCOC(=O)C1 ZINC001170604870 971325885 /nfs/dbraw/zinc/32/58/85/971325885.db2.gz XJQXEUXDFPQPGU-GFCCVEGCSA-N 1 2 227.348 2.594 20 0 BFADLO CCCC[C@H](CC)N1CC[NH+](CC2CC2)CC1 ZINC001257424071 971326010 /nfs/dbraw/zinc/32/60/10/971326010.db2.gz ZZYFUXQDKKGGBK-HNNXBMFYSA-N 1 2 238.419 2.983 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001257480418 971405867 /nfs/dbraw/zinc/40/58/67/971405867.db2.gz DSPNHHNOUOJWNJ-NWDGAFQWSA-N 1 2 211.349 2.866 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001257480418 971405870 /nfs/dbraw/zinc/40/58/70/971405870.db2.gz DSPNHHNOUOJWNJ-NWDGAFQWSA-N 1 2 211.349 2.866 20 0 BFADLO CCCCC[C@@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001257502057 971420096 /nfs/dbraw/zinc/42/00/96/971420096.db2.gz RMCMLNOJZMGRME-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO FC1(F)C[NH2+]C[C@@H](OCC2CCCCC2)C1 ZINC001217854383 971446376 /nfs/dbraw/zinc/44/63/76/971446376.db2.gz BCWRMHDRSJNYAS-NSHDSACASA-N 1 2 233.302 2.581 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccccc1S ZINC001217988408 971563311 /nfs/dbraw/zinc/56/33/11/971563311.db2.gz PWKHVDAYDXLWTJ-WDEREUQCSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1c(O)cccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001244958017 971563693 /nfs/dbraw/zinc/56/36/93/971563693.db2.gz IHMXHRYCBSRVPC-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO Cc1cc(F)cc(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218007807 971568325 /nfs/dbraw/zinc/56/83/25/971568325.db2.gz UZWCGPMBLMPRRR-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO CCc1ccccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218007815 971569952 /nfs/dbraw/zinc/56/99/52/971569952.db2.gz VGLSCODGMAQMLT-GFCCVEGCSA-N 1 2 241.281 2.625 20 0 BFADLO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccccc1S ZINC001218028628 971577448 /nfs/dbraw/zinc/57/74/48/971577448.db2.gz VOAVEOMVGWOJRD-WDEREUQCSA-N 1 2 237.368 2.742 20 0 BFADLO COC(=O)C1([NH2+][C@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258053563 971577794 /nfs/dbraw/zinc/57/77/94/971577794.db2.gz VVBDDMQEECNEIN-VXGBXAGGSA-N 1 2 241.375 2.742 20 0 BFADLO COC(=O)C1([NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC001258053560 971578671 /nfs/dbraw/zinc/57/86/71/971578671.db2.gz VVBDDMQEECNEIN-NEPJUHHUSA-N 1 2 241.375 2.742 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218062445 971594873 /nfs/dbraw/zinc/59/48/73/971594873.db2.gz UIQVZCSAJWYHNN-GHMZBOCLSA-N 1 2 237.368 2.803 20 0 BFADLO Sc1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218090712 971598078 /nfs/dbraw/zinc/59/80/78/971598078.db2.gz CKNSKGJTUHDOPZ-UONOGXRCSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218121662 971605225 /nfs/dbraw/zinc/60/52/25/971605225.db2.gz WUFQQWNLKZVXIO-ZIAGYGMSSA-N 1 2 249.379 2.805 20 0 BFADLO Cc1cc(C)cc(O[C@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218273199 971670285 /nfs/dbraw/zinc/67/02/85/971670285.db2.gz PSSRQRNYDYTSTH-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO C[C@@H](Cc1ccccc1)Oc1cc(N)cc[nH+]1 ZINC001218292717 971690224 /nfs/dbraw/zinc/69/02/24/971690224.db2.gz SEZRQKLXZQXQRI-NSHDSACASA-N 1 2 228.295 2.674 20 0 BFADLO CCC[C@@H](Oc1ccc[nH+]c1N)C(C)C ZINC001218293954 971692908 /nfs/dbraw/zinc/69/29/08/971692908.db2.gz OJRZNJPMDBLVMB-SNVBAGLBSA-N 1 2 208.305 2.867 20 0 BFADLO Nc1[nH+]cccc1O[C@@H]1CC2CCC1CC2 ZINC001218301016 971699179 /nfs/dbraw/zinc/69/91/79/971699179.db2.gz VBYVSRJNWSSVIN-RTYFJBAXSA-N 1 2 218.300 2.621 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[NH2+]C[C@@H]1C ZINC001218418458 971795198 /nfs/dbraw/zinc/79/51/98/971795198.db2.gz ZLAPSAKFOVNEGB-GWCFXTLKSA-N 1 2 237.368 2.661 20 0 BFADLO Cc1cc(-c2ncnc3sccc32)c[nH+]c1N ZINC001245535088 971847228 /nfs/dbraw/zinc/84/72/28/971847228.db2.gz CNSHDZOPFSQDNQ-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)c(Cl)c1 ZINC001135646570 971955493 /nfs/dbraw/zinc/95/54/93/971955493.db2.gz CYCRWNCBWYHNSJ-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172335382 974600317 /nfs/dbraw/zinc/60/03/17/974600317.db2.gz FBIGBMXSOZZBFV-QWRGUYRKSA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172335382 974600320 /nfs/dbraw/zinc/60/03/20/974600320.db2.gz FBIGBMXSOZZBFV-QWRGUYRKSA-N 1 2 235.318 2.921 20 0 BFADLO Sc1ccc(NC=CC2CC[NH2+]CC2)cc1 ZINC001159575108 971971398 /nfs/dbraw/zinc/97/13/98/971971398.db2.gz TYCHLZGKJJAPJI-JXMROGBWSA-N 1 2 234.368 2.901 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172338979 974605767 /nfs/dbraw/zinc/60/57/67/974605767.db2.gz NISGVJWYODFRBX-IRCOFANPSA-N 1 2 235.318 2.572 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001329876893 972074469 /nfs/dbraw/zinc/07/44/69/972074469.db2.gz OWWIDALSLHMXCD-VIFPVBQESA-N 1 2 236.363 2.549 20 0 BFADLO CCc1nnc([C@H](C)[N@H+]2CC(C)(C)C2(C)C)[nH]1 ZINC001329876893 972074475 /nfs/dbraw/zinc/07/44/75/972074475.db2.gz OWWIDALSLHMXCD-VIFPVBQESA-N 1 2 236.363 2.549 20 0 BFADLO Fc1cccc2c1C[C@H]([NH2+][C@@H]1CC1(F)F)CC2 ZINC001170951004 972139931 /nfs/dbraw/zinc/13/99/31/972139931.db2.gz WRYXOKXGWGIZDR-BXKDBHETSA-N 1 2 241.256 2.680 20 0 BFADLO FC1(F)CCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC001207954787 956895238 /nfs/dbraw/zinc/89/52/38/956895238.db2.gz UQECHCKSWUKVSZ-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO FC1(F)CCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001207954787 956895239 /nfs/dbraw/zinc/89/52/39/956895239.db2.gz UQECHCKSWUKVSZ-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CCCO3)cc(C)c1F ZINC001143374111 957039422 /nfs/dbraw/zinc/03/94/22/957039422.db2.gz LWYJPQKCSZRLJG-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO C[C@@H]1C[C@H](O)CCN1c1[nH+]ccc2ccccc21 ZINC000705344760 957161907 /nfs/dbraw/zinc/16/19/07/957161907.db2.gz IXUVIOQYUWCXEB-DGCLKSJQSA-N 1 2 242.322 2.584 20 0 BFADLO C[C@@H]1C[C@H](O)CCN1c1ccc(C(C)(C)C)c[nH+]1 ZINC000705343479 957161976 /nfs/dbraw/zinc/16/19/76/957161976.db2.gz AAHMSIFSAQGGQD-DGCLKSJQSA-N 1 2 248.370 2.729 20 0 BFADLO CN(C)c1cc(N(C)CC2CCCCC2)nc[nH+]1 ZINC001167097002 957319626 /nfs/dbraw/zinc/31/96/26/957319626.db2.gz YIFFPLZVNPAZSL-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CN(C)c1cc(N(C)CC2CCCCC2)[nH+]cn1 ZINC001167097002 957319636 /nfs/dbraw/zinc/31/96/36/957319636.db2.gz YIFFPLZVNPAZSL-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)[nH]1 ZINC001209570776 957509789 /nfs/dbraw/zinc/50/97/89/957509789.db2.gz VEHUOBLVAPGPQI-LLVKDONJSA-N 1 2 246.276 2.892 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)[nH]1 ZINC001209570776 957509799 /nfs/dbraw/zinc/50/97/99/957509799.db2.gz VEHUOBLVAPGPQI-LLVKDONJSA-N 1 2 246.276 2.892 20 0 BFADLO CC(C)c1ccc(N2CC[C@H]3OCC[C@H]3C2)[nH+]c1 ZINC001167218077 957551278 /nfs/dbraw/zinc/55/12/78/957551278.db2.gz WQWZXTUBSLPWFA-UONOGXRCSA-N 1 2 246.354 2.820 20 0 BFADLO COc1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC001210776102 957874207 /nfs/dbraw/zinc/87/42/07/957874207.db2.gz MCERWLCHMXEBOL-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc(Nc2cc(N)ccc2F)cc(C)[nH+]1 ZINC001210780302 957874728 /nfs/dbraw/zinc/87/47/28/957874728.db2.gz HIIKJXSEGOKBRX-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CC=C(C)Nc1[nH+]c2ccccc2n1C ZINC001210792339 957885069 /nfs/dbraw/zinc/88/50/69/957885069.db2.gz LSWDGDYMLOMSNL-RUDMXATFSA-N 1 2 201.273 2.909 20 0 BFADLO CCCn1nccc1Nc1cccc2[nH+]ccn21 ZINC001210912964 957932994 /nfs/dbraw/zinc/93/29/94/957932994.db2.gz QWBQLENUVDEWRU-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO FC(F)(F)c1c[nH+]ccc1Nc1nccs1 ZINC001210987435 957970701 /nfs/dbraw/zinc/97/07/01/957970701.db2.gz VNZXSVGPRMISPG-UHFFFAOYSA-N 1 2 245.229 2.722 20 0 BFADLO COc1ccc(Nc2ccc(C)c[nH+]2)c(CO)c1 ZINC001211011853 957984986 /nfs/dbraw/zinc/98/49/86/957984986.db2.gz FQZKIBQFEYMBNP-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1c(F)ccc(C[N@@H+]2CC[C@@H]2C)c1F ZINC001143320217 972308597 /nfs/dbraw/zinc/30/85/97/972308597.db2.gz GOLNCGBYPDLEHC-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)ccc(C[N@H+]2CC[C@@H]2C)c1F ZINC001143320217 972308600 /nfs/dbraw/zinc/30/86/00/972308600.db2.gz GOLNCGBYPDLEHC-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@]1(CF)CC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207093164 958008037 /nfs/dbraw/zinc/00/80/37/958008037.db2.gz JZZASYYCWLNJDS-GFCCVEGCSA-N 1 2 244.260 2.541 20 0 BFADLO C[C@]1(CF)CC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207093164 958008058 /nfs/dbraw/zinc/00/80/58/958008058.db2.gz JZZASYYCWLNJDS-GFCCVEGCSA-N 1 2 244.260 2.541 20 0 BFADLO CCOC1C[NH+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136979437 972310413 /nfs/dbraw/zinc/31/04/13/972310413.db2.gz JYYRWBYLINGPCJ-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO COc1cc[nH+]c(Nc2cncc(SC)c2)c1 ZINC001211068925 958014560 /nfs/dbraw/zinc/01/45/60/958014560.db2.gz IHKGEPCMIYHTAQ-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO CCn1ccnc1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001207140480 958174185 /nfs/dbraw/zinc/17/41/85/958174185.db2.gz UNWMJWXYAWLPMO-CYBMUJFWSA-N 1 2 239.338 2.617 20 0 BFADLO CCn1ccnc1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001207140480 958174190 /nfs/dbraw/zinc/17/41/90/958174190.db2.gz UNWMJWXYAWLPMO-CYBMUJFWSA-N 1 2 239.338 2.617 20 0 BFADLO Cc1c[nH+]cc(Nc2cn(CCF)cn2)c1C ZINC001213528727 958224324 /nfs/dbraw/zinc/22/43/24/958224324.db2.gz NIRTWMVGJUYEJF-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO CCCCCC[C@@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246460429 972332429 /nfs/dbraw/zinc/33/24/29/972332429.db2.gz MPSDHUOZBSQWOA-VXGBXAGGSA-N 1 2 248.361 2.932 20 0 BFADLO CCCCCC[C@@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246460429 972332432 /nfs/dbraw/zinc/33/24/32/972332432.db2.gz MPSDHUOZBSQWOA-VXGBXAGGSA-N 1 2 248.361 2.932 20 0 BFADLO Oc1c(F)cc(C[NH+]2C3CCC2CC3)cc1F ZINC000398881374 958424296 /nfs/dbraw/zinc/42/42/96/958424296.db2.gz IXMAECYACKWFKI-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC001143757618 972363599 /nfs/dbraw/zinc/36/35/99/972363599.db2.gz GXTCAQQEIUNQTR-SNVBAGLBSA-N 1 2 229.245 2.817 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@@H](F)C1 ZINC001143757618 972363612 /nfs/dbraw/zinc/36/36/12/972363612.db2.gz GXTCAQQEIUNQTR-SNVBAGLBSA-N 1 2 229.245 2.817 20 0 BFADLO CCOc1ccc(-c2c[nH+]c(N)c(C)c2)c(C)n1 ZINC001222110853 972370847 /nfs/dbraw/zinc/37/08/47/972370847.db2.gz UGTJFMUFZXXUNH-UHFFFAOYSA-N 1 2 243.310 2.741 20 0 BFADLO COc1ccc(Cl)c(C[NH+]2CC(C)C2)c1F ZINC001143886538 972380044 /nfs/dbraw/zinc/38/00/44/972380044.db2.gz VVXOFVHLASIANM-UHFFFAOYSA-N 1 2 243.709 2.939 20 0 BFADLO Cc1cc[nH+]c(C)c1N[C@H](C)c1ncc(F)cn1 ZINC001171115601 972380490 /nfs/dbraw/zinc/38/04/90/972380490.db2.gz ZJJCARLTDBGCNK-SNVBAGLBSA-N 1 2 246.289 2.801 20 0 BFADLO C[C@@H]1CCC[C@@H](OCCn2cc[nH+]c2)[C@@H]1C ZINC001222138237 972381475 /nfs/dbraw/zinc/38/14/75/972381475.db2.gz BWZOYLXFEYFGOY-JHJVBQTASA-N 1 2 222.332 2.724 20 0 BFADLO COc1ccc([C@H](C)OCCn2cc[nH+]c2)cc1 ZINC001222135187 972382146 /nfs/dbraw/zinc/38/21/46/972382146.db2.gz XLIYXVVISGJXCM-LBPRGKRZSA-N 1 2 246.310 2.670 20 0 BFADLO C[C@@H]1CCC[C@H](OCCn2cc[nH+]c2)[C@H]1C ZINC001222138235 972382970 /nfs/dbraw/zinc/38/29/70/972382970.db2.gz BWZOYLXFEYFGOY-AGIUHOORSA-N 1 2 222.332 2.724 20 0 BFADLO CC(C)CC[C@H](C)OCCn1cc[nH+]c1 ZINC001222134915 972383069 /nfs/dbraw/zinc/38/30/69/972383069.db2.gz RVMCEKICOKGKPW-LBPRGKRZSA-N 1 2 210.321 2.724 20 0 BFADLO c1coc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)n1 ZINC001213085362 959046952 /nfs/dbraw/zinc/04/69/52/959046952.db2.gz DLBVJKHPUSLYNW-UHFFFAOYSA-N 1 2 226.239 2.808 20 0 BFADLO Cc1cnc(Cl)cc1NCc1cc[nH+]c(N)c1 ZINC001167617076 959084760 /nfs/dbraw/zinc/08/47/60/959084760.db2.gz VBUGFSSHMRCKJR-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@H]2C)c1F ZINC001143931223 972421560 /nfs/dbraw/zinc/42/15/60/972421560.db2.gz RFEAQCFDKRZGKF-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(C[N@H+]2CC[C@H]2C)c1F ZINC001143931223 972421567 /nfs/dbraw/zinc/42/15/67/972421567.db2.gz RFEAQCFDKRZGKF-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(C[N@@H+]2CC[C@@H]2C)c1F ZINC001143931224 972422153 /nfs/dbraw/zinc/42/21/53/972422153.db2.gz RFEAQCFDKRZGKF-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(C[N@H+]2CC[C@@H]2C)c1F ZINC001143931224 972422162 /nfs/dbraw/zinc/42/21/62/972422162.db2.gz RFEAQCFDKRZGKF-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@@H](C)[C@@H]1C ZINC000405638878 959480484 /nfs/dbraw/zinc/48/04/84/959480484.db2.gz VEHVKSYTLQBHSZ-SLEUVZQESA-N 1 2 248.370 2.896 20 0 BFADLO COCC[N@H+](Cc1csc(Cl)n1)C(C)C ZINC000308839063 959519196 /nfs/dbraw/zinc/51/91/96/959519196.db2.gz XLPBFKSEOXKFDR-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCC[N@@H+](Cc1csc(Cl)n1)C(C)C ZINC000308839063 959519207 /nfs/dbraw/zinc/51/92/07/959519207.db2.gz XLPBFKSEOXKFDR-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(O)cc(Cl)c2)C[C@@H]1F ZINC001140787351 959859852 /nfs/dbraw/zinc/85/98/52/959859852.db2.gz GZZCBNPREFCIBS-PELKAZGASA-N 1 2 243.709 2.835 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(O)cc(Cl)c2)C[C@@H]1F ZINC001140787351 959859858 /nfs/dbraw/zinc/85/98/58/959859858.db2.gz GZZCBNPREFCIBS-PELKAZGASA-N 1 2 243.709 2.835 20 0 BFADLO COC1(CNc2cc3cc[nH]c3c[nH+]2)CCC1 ZINC001352864753 959971738 /nfs/dbraw/zinc/97/17/38/959971738.db2.gz UJPBKGSJBJTHQQ-UHFFFAOYSA-N 1 2 231.299 2.544 20 0 BFADLO CO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001352888916 959978727 /nfs/dbraw/zinc/97/87/27/959978727.db2.gz SMNKTQFGPNAXBG-VIFPVBQESA-N 1 2 249.232 2.519 20 0 BFADLO CO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001352888916 959978735 /nfs/dbraw/zinc/97/87/35/959978735.db2.gz SMNKTQFGPNAXBG-VIFPVBQESA-N 1 2 249.232 2.519 20 0 BFADLO CO[C@@H](C)CNc1cc(C)c2ccccc2[nH+]1 ZINC000310104246 960167520 /nfs/dbraw/zinc/16/75/20/960167520.db2.gz ZKTGASRLNJUSFO-NSHDSACASA-N 1 2 230.311 2.990 20 0 BFADLO Cc1ccncc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001141031434 960220707 /nfs/dbraw/zinc/22/07/07/960220707.db2.gz OYYWDYUAHQLPSM-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccncc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001141031434 960220716 /nfs/dbraw/zinc/22/07/16/960220716.db2.gz OYYWDYUAHQLPSM-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO CC(C)(CCO)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001167741415 960391253 /nfs/dbraw/zinc/39/12/53/960391253.db2.gz TZGODTFIBUQTOU-UHFFFAOYSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1cccc2c1CC[C@H]2OCc1c[nH+]cn1C ZINC001222585378 960717021 /nfs/dbraw/zinc/71/70/21/960717021.db2.gz HWIOEGPLNVNQQI-OAHLLOKOSA-N 1 2 242.322 2.933 20 0 BFADLO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1F ZINC001141218203 960973659 /nfs/dbraw/zinc/97/36/59/960973659.db2.gz CUBHZAYMUJDVDU-KOLCDFICSA-N 1 2 241.281 2.624 20 0 BFADLO COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1F ZINC001141218203 960973717 /nfs/dbraw/zinc/97/37/17/960973717.db2.gz CUBHZAYMUJDVDU-KOLCDFICSA-N 1 2 241.281 2.624 20 0 BFADLO COc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]1C ZINC001143551788 961818531 /nfs/dbraw/zinc/81/85/31/961818531.db2.gz ISYDNIMBUBEKEM-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]1C ZINC001143551788 961818539 /nfs/dbraw/zinc/81/85/39/961818539.db2.gz ISYDNIMBUBEKEM-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1occc1Br ZINC001143116255 961883322 /nfs/dbraw/zinc/88/33/22/961883322.db2.gz CCIXVMOTWNYUNC-ZETCQYMHSA-N 1 2 230.105 2.636 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1occc1Br ZINC001143116255 961883339 /nfs/dbraw/zinc/88/33/39/961883339.db2.gz CCIXVMOTWNYUNC-ZETCQYMHSA-N 1 2 230.105 2.636 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@@H]2C)c(F)c1F ZINC001143269964 961990176 /nfs/dbraw/zinc/99/01/76/961990176.db2.gz TWEIUCPHVHJUII-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@@H]2C)c(F)c1F ZINC001143269964 961990200 /nfs/dbraw/zinc/99/02/00/961990200.db2.gz TWEIUCPHVHJUII-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCCCOC[C@H](C)Oc1cc[nH+]cc1 ZINC001225290779 962046920 /nfs/dbraw/zinc/04/69/20/962046920.db2.gz HPYROKWRDGKEBO-NSHDSACASA-N 1 2 209.289 2.666 20 0 BFADLO Nc1cc(N[C@H](c2ccccc2)C2CC2)[nH+]cn1 ZINC001154645065 962826384 /nfs/dbraw/zinc/82/63/84/962826384.db2.gz KYKVBBYKQCEZRZ-CQSZACIVSA-N 1 2 240.310 2.622 20 0 BFADLO CCc1coc(CNc2[nH+]cc(C)cc2OC)n1 ZINC001154779228 962846191 /nfs/dbraw/zinc/84/61/91/962846191.db2.gz HXJIAXMQFLIOJR-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO Cc1oncc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001154887992 962884978 /nfs/dbraw/zinc/88/49/78/962884978.db2.gz WZIKWNXPGQWTMH-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO COCc1cc[nH+]c(NC(C)(C)C2CC2)c1 ZINC001155067485 962954568 /nfs/dbraw/zinc/95/45/68/962954568.db2.gz UVBVREAAEBGNAJ-UHFFFAOYSA-N 1 2 220.316 2.829 20 0 BFADLO Cc1nc(N[C@@H]2CCCC[C@H]2F)c2c([nH+]1)CCC2 ZINC001155062339 962957559 /nfs/dbraw/zinc/95/75/59/962957559.db2.gz FYNYWMMFXRDUSX-DGCLKSJQSA-N 1 2 249.333 2.966 20 0 BFADLO CSc1cc[nH+]c(NCc2cccn2C)c1 ZINC001155213260 963028318 /nfs/dbraw/zinc/02/83/18/963028318.db2.gz SEGASSPZSGDRMV-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CC(C)(C)CCNc1c(F)cc[nH+]c1N ZINC001161677586 963176134 /nfs/dbraw/zinc/17/61/34/963176134.db2.gz XKLOAKXKJOROLJ-UHFFFAOYSA-N 1 2 211.284 2.651 20 0 BFADLO CC(C)c1ccc(N2CCOCC23CC3)[nH+]c1 ZINC001155840066 963182216 /nfs/dbraw/zinc/18/22/16/963182216.db2.gz AQCNKPBVWDTALZ-UHFFFAOYSA-N 1 2 232.327 2.574 20 0 BFADLO CSCCCNc1cc(SC)cc[nH+]1 ZINC001155980419 963220329 /nfs/dbraw/zinc/22/03/29/963220329.db2.gz ZPGLHIJIDAUJAC-UHFFFAOYSA-N 1 2 228.386 2.969 20 0 BFADLO CSCCCNc1cc(C)[nH+]c(SC)n1 ZINC001155978840 963223024 /nfs/dbraw/zinc/22/30/24/963223024.db2.gz HSBMJCBQFHNKQL-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO CC[C@H](C)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC001168000791 963223782 /nfs/dbraw/zinc/22/37/82/963223782.db2.gz WLLQYWJYUGPXBI-QMMMGPOBSA-N 1 2 235.331 2.881 20 0 BFADLO Nc1ccccc1CNc1ccc(Cl)c(N)[nH+]1 ZINC001155988180 963226287 /nfs/dbraw/zinc/22/62/87/963226287.db2.gz KYRGIRNINXQPGF-UHFFFAOYSA-N 1 2 248.717 2.512 20 0 BFADLO CCOC(=O)Cc1cc[nH+]c(NC2(C)CCC2)c1 ZINC001156075424 963256112 /nfs/dbraw/zinc/25/61/12/963256112.db2.gz GTFBWGFLNHXZEL-UHFFFAOYSA-N 1 2 248.326 2.542 20 0 BFADLO O=C1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC001203377876 963375729 /nfs/dbraw/zinc/37/57/29/963375729.db2.gz WMHPNOHXSISCOT-UHFFFAOYSA-N 1 2 237.730 2.895 20 0 BFADLO O=C1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC001203377876 963375742 /nfs/dbraw/zinc/37/57/42/963375742.db2.gz WMHPNOHXSISCOT-UHFFFAOYSA-N 1 2 237.730 2.895 20 0 BFADLO Cc1c(F)cc[nH+]c1N1Cc2ncsc2C1 ZINC001156833239 963471469 /nfs/dbraw/zinc/47/14/69/963471469.db2.gz HQPKORLCEGLTAL-UHFFFAOYSA-N 1 2 235.287 2.506 20 0 BFADLO Cc1nc(N2CC3CC(C3)C2)cc(C(C)C)[nH+]1 ZINC001156887966 963481148 /nfs/dbraw/zinc/48/11/48/963481148.db2.gz RJYBXUWXEBUQEX-UHFFFAOYSA-N 1 2 231.343 2.755 20 0 BFADLO CCSc1cc[nH+]c(NC(C)(C)CCO)c1 ZINC001156911979 963495449 /nfs/dbraw/zinc/49/54/49/963495449.db2.gz FXORVUIPOWAAOK-UHFFFAOYSA-N 1 2 240.372 2.767 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)C=C2CCCC2)[nH+]1 ZINC001157118824 963536026 /nfs/dbraw/zinc/53/60/26/963536026.db2.gz HBCMWTOQFYKBDP-UHFFFAOYSA-N 1 2 247.342 2.650 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)C=C2CCCC2)c[nH+]1 ZINC001157118824 963536031 /nfs/dbraw/zinc/53/60/31/963536031.db2.gz HBCMWTOQFYKBDP-UHFFFAOYSA-N 1 2 247.342 2.650 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)CCC2(C)CC2)[nH+]1 ZINC001157125114 963536783 /nfs/dbraw/zinc/53/67/83/963536783.db2.gz RTECLEXOCGPPLR-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)CCC2(C)CC2)c[nH+]1 ZINC001157125114 963536786 /nfs/dbraw/zinc/53/67/86/963536786.db2.gz RTECLEXOCGPPLR-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO CC[C@@H](C)Nc1cc(C)[nH+]c(SC)n1 ZINC001157231285 963559597 /nfs/dbraw/zinc/55/95/97/963559597.db2.gz SYHPPACNDDNXAC-SSDOTTSWSA-N 1 2 211.334 2.717 20 0 BFADLO Cc1cc(N(C)Cc2ccno2)nc(C(C)C)[nH+]1 ZINC001157353886 963583045 /nfs/dbraw/zinc/58/30/45/963583045.db2.gz PTCAUTYRMSSEPY-UHFFFAOYSA-N 1 2 246.314 2.533 20 0 BFADLO CSc1nc(NC[C@H]2C[C@H](F)C2)cc(C)[nH+]1 ZINC001157451653 963611478 /nfs/dbraw/zinc/61/14/78/963611478.db2.gz HIGYODUOUUDJPI-KYZUINATSA-N 1 2 241.335 2.667 20 0 BFADLO CSc1c[nH+]c(NCC2CC(=O)C2)c(C)c1 ZINC001157608922 963676309 /nfs/dbraw/zinc/67/63/09/963676309.db2.gz HNOQNLPVQBIASS-UHFFFAOYSA-N 1 2 236.340 2.503 20 0 BFADLO CSc1cc[nH+]c(N[C@@H](CO)C(C)(C)C)c1 ZINC001157758612 963720176 /nfs/dbraw/zinc/72/01/76/963720176.db2.gz KRXGQABNPXZHMZ-JTQLQIEISA-N 1 2 240.372 2.622 20 0 BFADLO Cc1cc(Cl)c(C)c(N[C@H]2CCCOC2)[nH+]1 ZINC001158713634 963909290 /nfs/dbraw/zinc/90/92/90/963909290.db2.gz RYJOGXSGTRLHDA-JTQLQIEISA-N 1 2 240.734 2.943 20 0 BFADLO FC(F)C(F)(F)C[NH2+]C1(C2CCC2)CC1 ZINC000697414181 963913769 /nfs/dbraw/zinc/91/37/69/963913769.db2.gz RUEWHRRWJSNNSZ-UHFFFAOYSA-N 1 2 225.229 2.809 20 0 BFADLO COc1cc(C)c[nH+]c1N1C2CCC1CC2 ZINC001159082224 963992220 /nfs/dbraw/zinc/99/22/20/963992220.db2.gz BXSSFYJYMDPIIU-UHFFFAOYSA-N 1 2 218.300 2.530 20 0 BFADLO COC(C)(CNc1cc2ccccc2c[nH+]1)OC ZINC001159377825 964072342 /nfs/dbraw/zinc/07/23/42/964072342.db2.gz TUMKJZDFFBHQEU-UHFFFAOYSA-N 1 2 246.310 2.656 20 0 BFADLO Fc1ncccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213026966 964417981 /nfs/dbraw/zinc/41/79/81/964417981.db2.gz BELPRROAIMTQBT-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO CCn1cc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213027024 964431460 /nfs/dbraw/zinc/43/14/60/964431460.db2.gz FEFJWPQJEACQMA-UHFFFAOYSA-N 1 2 227.271 2.523 20 0 BFADLO CC(C)(C)CNc1ccc2c([nH+]1)CCOC2 ZINC001161634732 964655116 /nfs/dbraw/zinc/65/51/16/964655116.db2.gz LLRJPYKEOCJCOM-UHFFFAOYSA-N 1 2 220.316 2.612 20 0 BFADLO CSc1cc[nH+]c(N[C@@H]2CCO[C@H](C)C2)c1 ZINC001161694875 964691526 /nfs/dbraw/zinc/69/15/26/964691526.db2.gz AODPOMYFRKCVMP-NXEZZACHSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1nc(N[C@@H]2CC=CCC2)c2c([nH+]1)CCC2 ZINC001161754450 964740484 /nfs/dbraw/zinc/74/04/84/964740484.db2.gz MIACBCPEOKXAIE-LLVKDONJSA-N 1 2 229.327 2.794 20 0 BFADLO Cc1cc(C[NH+]2CC(C(F)F)C2)cc(F)c1F ZINC001143610955 964744631 /nfs/dbraw/zinc/74/46/31/964744631.db2.gz LSFILIBXIJOKCD-UHFFFAOYSA-N 1 2 247.235 2.970 20 0 BFADLO Cc1cc(NCCOC(C)C)c[nH+]c1C ZINC001161788542 964757208 /nfs/dbraw/zinc/75/72/08/964757208.db2.gz CJNBJAUTSULSNC-UHFFFAOYSA-N 1 2 208.305 2.535 20 0 BFADLO Cc1c[nH+]cc(NCCOC(C)C)c1C ZINC001161795050 964761496 /nfs/dbraw/zinc/76/14/96/964761496.db2.gz RMUBBAPPPCNOIR-UHFFFAOYSA-N 1 2 208.305 2.535 20 0 BFADLO Fc1ccc2c[nH+]c(NC3CCOCC3)cc2c1 ZINC001161861676 964796814 /nfs/dbraw/zinc/79/68/14/964796814.db2.gz PDTCEHYJCRCJCZ-UHFFFAOYSA-N 1 2 246.285 2.965 20 0 BFADLO Cc1cccnc1CNc1ccn2cc[nH+]c2c1 ZINC001161883602 964809376 /nfs/dbraw/zinc/80/93/76/964809376.db2.gz QOXBKNMDKPREJS-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CSc1cc[nH+]c(NCc2nccnc2C)c1 ZINC001162004320 964845397 /nfs/dbraw/zinc/84/53/97/964845397.db2.gz ZQHOWERPKVYCII-UHFFFAOYSA-N 1 2 246.339 2.514 20 0 BFADLO CCn1cc(Nc2[nH+]cc(C)cc2C)ccc1=O ZINC001162174007 964860385 /nfs/dbraw/zinc/86/03/85/964860385.db2.gz RHZWGKNTHSNUPJ-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO CN(C)c1cc(Cl)[nH+]c(NC2CC(F)C2)c1 ZINC001162209227 964871367 /nfs/dbraw/zinc/87/13/67/964871367.db2.gz FKPVYIMABYQBNY-UHFFFAOYSA-N 1 2 243.713 2.713 20 0 BFADLO c1cn2ccc(NCCC3CCOCC3)cc2[nH+]1 ZINC001162221982 964878704 /nfs/dbraw/zinc/87/87/04/964878704.db2.gz BSJZBQUZTSOQKW-UHFFFAOYSA-N 1 2 245.326 2.563 20 0 BFADLO Cc1oncc1CNc1cc[nH+]c(OC(C)C)c1 ZINC001162270112 964895823 /nfs/dbraw/zinc/89/58/23/964895823.db2.gz WMAGCROSKUZNJD-UHFFFAOYSA-N 1 2 247.298 2.777 20 0 BFADLO Cc1oncc1CNc1[nH+]cccc1OC(C)C ZINC001162277142 964902712 /nfs/dbraw/zinc/90/27/12/964902712.db2.gz QSLXCWXDLXGIEW-UHFFFAOYSA-N 1 2 247.298 2.777 20 0 BFADLO Cc1ccc(Nc2ccncc2Cl)c(C)[nH+]1 ZINC001212144254 965069967 /nfs/dbraw/zinc/06/99/67/965069967.db2.gz LROPWAMKXHZERI-UHFFFAOYSA-N 1 2 233.702 2.912 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2ccncc2Cl)c1 ZINC001212144102 965070922 /nfs/dbraw/zinc/07/09/22/965070922.db2.gz DMYFECQFHIWUSB-UHFFFAOYSA-N 1 2 233.702 2.912 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ccnc(C(F)(F)F)n1 ZINC001162657991 965093962 /nfs/dbraw/zinc/09/39/62/965093962.db2.gz YWGBUUZQVCQYAH-UHFFFAOYSA-N 1 2 246.236 2.931 20 0 BFADLO Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC1(F)F)C2 ZINC001168397163 965153189 /nfs/dbraw/zinc/15/31/89/965153189.db2.gz MIAMDVSOEDYKQQ-NEPJUHHUSA-N 1 2 241.256 2.680 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@H](C)c1ccno1 ZINC001163213821 965305765 /nfs/dbraw/zinc/30/57/65/965305765.db2.gz PYTSPHVHRHJYPA-MRVPVSSYSA-N 1 2 221.235 2.690 20 0 BFADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c[nH]1 ZINC001232458876 965357996 /nfs/dbraw/zinc/35/79/96/965357996.db2.gz UUINEVLFRYEWNU-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@H](C)C2)c[nH]1 ZINC001232458876 965358008 /nfs/dbraw/zinc/35/80/08/965358008.db2.gz UUINEVLFRYEWNU-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)[nH]1 ZINC001232458876 965358012 /nfs/dbraw/zinc/35/80/12/965358012.db2.gz UUINEVLFRYEWNU-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@H](C)C2)[nH]1 ZINC001232458876 965358021 /nfs/dbraw/zinc/35/80/21/965358021.db2.gz UUINEVLFRYEWNU-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO CCc1nc(N(C(C)C)C(C)C)cc(C)[nH+]1 ZINC001163576033 965458188 /nfs/dbraw/zinc/45/81/88/965458188.db2.gz BSQCIVJKHKXTTB-UHFFFAOYSA-N 1 2 221.348 2.971 20 0 BFADLO Cc1cc([NH2+]CCc2cccc(O)c2)ccc1N ZINC001163703356 965524153 /nfs/dbraw/zinc/52/41/53/965524153.db2.gz WRKZTEBHARJPBG-UHFFFAOYSA-N 1 2 242.322 2.937 20 0 BFADLO Cc1cc(N(C)CC(F)(F)F)nc(C2CC2)[nH+]1 ZINC001163710037 965526861 /nfs/dbraw/zinc/52/68/61/965526861.db2.gz DHFYMNWZARVTAF-UHFFFAOYSA-N 1 2 245.248 2.661 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC2(C1)CC(F)(F)C2 ZINC001163745655 965564376 /nfs/dbraw/zinc/56/43/76/965564376.db2.gz CDOPXLBYYIQXMQ-UHFFFAOYSA-N 1 2 242.244 2.765 20 0 BFADLO CN(c1ccc(Cl)c(N)[nH+]1)C1CC(F)(F)C1 ZINC001163767433 965574491 /nfs/dbraw/zinc/57/44/91/965574491.db2.gz GUHSDAVYKRELNB-UHFFFAOYSA-N 1 2 247.676 2.551 20 0 BFADLO CC(C)c1ccc(N2C[C@H](O)CC[C@H]2C)[nH+]c1 ZINC001164120909 965744236 /nfs/dbraw/zinc/74/42/36/965744236.db2.gz AICDPDPVFYBZHL-DGCLKSJQSA-N 1 2 234.343 2.555 20 0 BFADLO Cc1c[nH+]cc(NC[C@@H]2CC(C)(C)O2)c1C ZINC001168457235 965760393 /nfs/dbraw/zinc/76/03/93/965760393.db2.gz VYRKPFUOTXLHBA-NSHDSACASA-N 1 2 220.316 2.678 20 0 BFADLO CNc1ccc(CNc2c[nH+]ccc2OC)cc1 ZINC001164152857 965764778 /nfs/dbraw/zinc/76/47/78/965764778.db2.gz UHVBLTFOUKYLBD-UHFFFAOYSA-N 1 2 243.310 2.744 20 0 BFADLO CCN(CC)c1cc(N(C)C2CC(C)C2)nc[nH+]1 ZINC001164198957 965793056 /nfs/dbraw/zinc/79/30/56/965793056.db2.gz CTNWAVWTXLQJCX-UHFFFAOYSA-N 1 2 248.374 2.558 20 0 BFADLO CCN(CC)c1cc(N(C)C2CC(C)C2)[nH+]cn1 ZINC001164198957 965793058 /nfs/dbraw/zinc/79/30/58/965793058.db2.gz CTNWAVWTXLQJCX-UHFFFAOYSA-N 1 2 248.374 2.558 20 0 BFADLO CSc1cc[nH+]c(N2C[C@@H](C)C[C@H]2CF)c1 ZINC001164260007 965812755 /nfs/dbraw/zinc/81/27/55/965812755.db2.gz FKOKGIMOWRMEFB-UWVGGRQHSA-N 1 2 240.347 2.988 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[NH+]1CC2(C1)CCCO2 ZINC001168478136 965874328 /nfs/dbraw/zinc/87/43/28/965874328.db2.gz FGXGCJHZNGLYOW-LBPRGKRZSA-N 1 2 249.329 2.622 20 0 BFADLO CC1(F)CN(c2[nH+]ccc3ccccc32)C1 ZINC001164581976 965924884 /nfs/dbraw/zinc/92/48/84/965924884.db2.gz LJHRMYUZGVATOD-UHFFFAOYSA-N 1 2 216.259 2.783 20 0 BFADLO Cc1cc(NC[C@@H]2CCCCO2)[nH+]c2cc[nH]c21 ZINC001165252646 966006630 /nfs/dbraw/zinc/00/66/30/966006630.db2.gz JIHIAFXEZQLSKB-NSHDSACASA-N 1 2 245.326 2.852 20 0 BFADLO Nc1[nH+]c(N2CCC23CCCC3)ccc1Cl ZINC001165280563 966020988 /nfs/dbraw/zinc/02/09/88/966020988.db2.gz GRQJOZMNLUIJOH-UHFFFAOYSA-N 1 2 237.734 2.840 20 0 BFADLO CNc1ccc(Nc2cn(C(C)C)cn2)c[nH+]1 ZINC001203452988 966053115 /nfs/dbraw/zinc/05/31/15/966053115.db2.gz VLBVTGFZMFGRAX-UHFFFAOYSA-N 1 2 231.303 2.644 20 0 BFADLO C[C@@H](CCO)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001165868855 966185454 /nfs/dbraw/zinc/18/54/54/966185454.db2.gz WZVKHJYUFCXROU-VIFPVBQESA-N 1 2 234.274 2.557 20 0 BFADLO CNc1ccc(-n2ccc3ccc(N)cc32)c[nH+]1 ZINC001203454707 966265568 /nfs/dbraw/zinc/26/55/68/966265568.db2.gz KARTTZMFIVLTEU-UHFFFAOYSA-N 1 2 238.294 2.649 20 0 BFADLO C[N@@H+](Cc1csc(Cl)c1)C1(C)COC1 ZINC001142770461 966336574 /nfs/dbraw/zinc/33/65/74/966336574.db2.gz CWWMKYYENSLAET-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CC(C)C(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919144966 966293472 /nfs/dbraw/zinc/29/34/72/966293472.db2.gz USZNHFCGGJAIAJ-UHFFFAOYSA-N 1 2 242.322 2.699 20 0 BFADLO CSCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143279 966296709 /nfs/dbraw/zinc/29/67/09/966296709.db2.gz FWSLIDVMHPLZIW-UHFFFAOYSA-N 1 2 232.352 2.837 20 0 BFADLO C[N@H+](Cc1csc(Cl)c1)C1(C)COC1 ZINC001142770461 966336558 /nfs/dbraw/zinc/33/65/58/966336558.db2.gz CWWMKYYENSLAET-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CCCN(C)c1cc(CSC)cc[nH+]1 ZINC000094151436 966342478 /nfs/dbraw/zinc/34/24/78/966342478.db2.gz LSQKEXSFYZTEET-UHFFFAOYSA-N 1 2 210.346 2.791 20 0 BFADLO CNc1ccc(Nc2ccc3c(c2)OCO3)c[nH+]1 ZINC001203454983 966370282 /nfs/dbraw/zinc/37/02/82/966370282.db2.gz OYMKSNVPNWASNO-UHFFFAOYSA-N 1 2 243.266 2.596 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cc[nH]c(=O)c1 ZINC001212265517 966381441 /nfs/dbraw/zinc/38/14/41/966381441.db2.gz OFMFYIZJTPCBDJ-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO Cc1c[nH+]c(Nc2cc[nH]c(=O)c2)c(C)c1 ZINC001212267002 966386141 /nfs/dbraw/zinc/38/61/41/966386141.db2.gz FATWSPDKEAZSGE-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO C[C@H]1CC(=O)CCN1c1cccc(C2CC2)[nH+]1 ZINC001166936028 966452367 /nfs/dbraw/zinc/45/23/67/966452367.db2.gz CHVWZZIOPJYREP-JTQLQIEISA-N 1 2 230.311 2.517 20 0 BFADLO CN(C)c1ccc(Nc2ccc(F)c(N)c2)c[nH+]1 ZINC001212328041 966489089 /nfs/dbraw/zinc/48/90/89/966489089.db2.gz IJFCXSOMFVJLJB-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO CC[N@H+](C)c1ccc(NC=CC(C)(C)O)cc1 ZINC001203227058 966571894 /nfs/dbraw/zinc/57/18/94/966571894.db2.gz SOWJEXKFTRGFCR-ZHACJKMWSA-N 1 2 234.343 2.839 20 0 BFADLO CC[N@@H+](C)c1ccc(NC=CC(C)(C)O)cc1 ZINC001203227058 966571900 /nfs/dbraw/zinc/57/19/00/966571900.db2.gz SOWJEXKFTRGFCR-ZHACJKMWSA-N 1 2 234.343 2.839 20 0 BFADLO Cc1cnc2c(c1)C[N@@H+](Cc1ccco1)CC2 ZINC001203284865 966597803 /nfs/dbraw/zinc/59/78/03/966597803.db2.gz PRYBFWDLGJIFIC-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cnc2c(c1)C[N@H+](Cc1ccco1)CC2 ZINC001203284865 966597810 /nfs/dbraw/zinc/59/78/10/966597810.db2.gz PRYBFWDLGJIFIC-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc(Nc2ccnnc2Cl)c(C)[nH+]1 ZINC001203370239 966619411 /nfs/dbraw/zinc/61/94/11/966619411.db2.gz JESKRISYHGHQJN-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CNc1ccc(Nc2nc(C)cs2)c[nH+]1 ZINC001203446588 966646455 /nfs/dbraw/zinc/64/64/55/966646455.db2.gz FHOUQTICKNGKJX-UHFFFAOYSA-N 1 2 220.301 2.632 20 0 BFADLO CNc1ccc(Nc2ncc(C)nc2Cl)c[nH+]1 ZINC001203448554 966648527 /nfs/dbraw/zinc/64/85/27/966648527.db2.gz AHESFDRBGDUSEV-UHFFFAOYSA-N 1 2 249.705 2.619 20 0 BFADLO CNc1ccc(Nc2ccc(C)nc2OC)c[nH+]1 ZINC001203448841 966649388 /nfs/dbraw/zinc/64/93/88/966649388.db2.gz MTXIUODJYCKVAF-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2ccc(CO)c(C)c2)c[nH+]1 ZINC001203459232 966654276 /nfs/dbraw/zinc/65/42/76/966654276.db2.gz GWKVIBPATGGXDW-UHFFFAOYSA-N 1 2 243.310 2.668 20 0 BFADLO CNc1ccc(Nc2cc(C)ccc2CO)c[nH+]1 ZINC001203462692 966661318 /nfs/dbraw/zinc/66/13/18/966661318.db2.gz ZPXPEZASUZLGFG-UHFFFAOYSA-N 1 2 243.310 2.668 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001237648488 966680891 /nfs/dbraw/zinc/68/08/91/966680891.db2.gz BAUFCJZLIUGCMH-ZDUSSCGKSA-N 1 2 239.338 2.686 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001237648488 966680901 /nfs/dbraw/zinc/68/09/01/966680901.db2.gz BAUFCJZLIUGCMH-ZDUSSCGKSA-N 1 2 239.338 2.686 20 0 BFADLO COC(=O)c1ccc(Nc2cc(C)c[nH+]c2C)o1 ZINC001203656389 966723215 /nfs/dbraw/zinc/72/32/15/966723215.db2.gz QAXOAQRRTATGDS-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(CCO)cc2)c1 ZINC001203661534 966730675 /nfs/dbraw/zinc/73/06/75/966730675.db2.gz WTMXHNMSOOIDAK-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859179 966800749 /nfs/dbraw/zinc/80/07/49/966800749.db2.gz HFMPGZPVEMOYOI-STQMWFEESA-N 1 2 241.281 2.664 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859179 966800754 /nfs/dbraw/zinc/80/07/54/966800754.db2.gz HFMPGZPVEMOYOI-STQMWFEESA-N 1 2 241.281 2.664 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ncc[nH]1 ZINC001203973971 966835565 /nfs/dbraw/zinc/83/55/65/966835565.db2.gz PPTAEJXGRFIRRO-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncc[nH]1 ZINC001203973971 966835570 /nfs/dbraw/zinc/83/55/70/966835570.db2.gz PPTAEJXGRFIRRO-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)n1 ZINC001204067013 966877342 /nfs/dbraw/zinc/87/73/42/966877342.db2.gz IMMUPCXDXRKSGV-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)n1 ZINC001204067013 966877344 /nfs/dbraw/zinc/87/73/44/966877344.db2.gz IMMUPCXDXRKSGV-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO F[C@H]1C[N@H+](Cc2ccncc2)CCCC1(F)F ZINC001204080548 966886268 /nfs/dbraw/zinc/88/62/68/966886268.db2.gz QUXHPRSQQXXPKC-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO F[C@H]1C[N@@H+](Cc2ccncc2)CCCC1(F)F ZINC001204080548 966886274 /nfs/dbraw/zinc/88/62/74/966886274.db2.gz QUXHPRSQQXXPKC-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3occc3C2)o1 ZINC001204395421 966991357 /nfs/dbraw/zinc/99/13/57/966991357.db2.gz OVFNRQSTFDNRAB-UHFFFAOYSA-N 1 2 231.295 2.993 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3occc3C2)o1 ZINC001204395421 966991358 /nfs/dbraw/zinc/99/13/58/966991358.db2.gz OVFNRQSTFDNRAB-UHFFFAOYSA-N 1 2 231.295 2.993 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001204397973 966991681 /nfs/dbraw/zinc/99/16/81/966991681.db2.gz QQKOUODZNUHVGQ-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001204397973 966991692 /nfs/dbraw/zinc/99/16/92/966991692.db2.gz QQKOUODZNUHVGQ-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO c1cn(-c2ccc(-c3cccnc3)cc2)c[nH+]1 ZINC001239569116 967004927 /nfs/dbraw/zinc/00/49/27/967004927.db2.gz KRCBIKYCZJYWKF-UHFFFAOYSA-N 1 2 221.263 2.934 20 0 BFADLO Cc1c(F)cccc1C[NH+]1CC2(C1)CCCCO2 ZINC001204508671 967014292 /nfs/dbraw/zinc/01/42/92/967014292.db2.gz QUTWUIJYOYMCJB-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC001204524693 967024250 /nfs/dbraw/zinc/02/42/50/967024250.db2.gz OBHXWESCCMCARH-ZETCQYMHSA-N 1 2 215.218 2.698 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC001204524693 967024258 /nfs/dbraw/zinc/02/42/58/967024258.db2.gz OBHXWESCCMCARH-ZETCQYMHSA-N 1 2 215.218 2.698 20 0 BFADLO CC(=O)c1cccc(C(C)=CC=C[NH3+])c1 ZINC001239636218 967056949 /nfs/dbraw/zinc/05/69/49/967056949.db2.gz WYPLHGPZHGJGFK-DXNUHORPSA-N 1 2 201.269 2.765 20 0 BFADLO Cc1[nH+]c[nH]c1CN1CCCC[C@H]1C(F)(F)F ZINC001204589832 967083033 /nfs/dbraw/zinc/08/30/33/967083033.db2.gz ZMPPJUPBYKFNBY-JTQLQIEISA-N 1 2 247.264 2.635 20 0 BFADLO CCOCCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001249943500 967184287 /nfs/dbraw/zinc/18/42/87/967184287.db2.gz OPXOOOMXJQTPPB-UHFFFAOYSA-N 1 2 216.284 2.656 20 0 BFADLO CCOC(=O)CCCCc1cc(C)c[nH+]c1C ZINC001249981454 967224499 /nfs/dbraw/zinc/22/44/99/967224499.db2.gz RGDQFGHZZDWNQR-UHFFFAOYSA-N 1 2 235.327 2.974 20 0 BFADLO COc1ncccc1-c1ccc2[nH+]ccn2c1C ZINC001239860692 967230842 /nfs/dbraw/zinc/23/08/42/967230842.db2.gz ULHAVANXLAAZIK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204943394 967245184 /nfs/dbraw/zinc/24/51/84/967245184.db2.gz KEDDLPBLQKBCTE-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Fc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)n1 ZINC001204966128 967267297 /nfs/dbraw/zinc/26/72/97/967267297.db2.gz MUQCHTDCMPRLRK-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO Oc1cccc(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204978713 967271702 /nfs/dbraw/zinc/27/17/02/967271702.db2.gz ZJMKEJSGUYJOHC-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1[nH+]cccc1NCCCOC(C)C ZINC001168680713 967291417 /nfs/dbraw/zinc/29/14/17/967291417.db2.gz BSNFWXDEOITVFC-UHFFFAOYSA-N 1 2 208.305 2.617 20 0 BFADLO CCCn1cc(-c2c[nH+]c(N(C)C)cc2C)cn1 ZINC001240130971 967315456 /nfs/dbraw/zinc/31/54/56/967315456.db2.gz GUEGILBRYJXNHT-UHFFFAOYSA-N 1 2 244.342 2.730 20 0 BFADLO Cc1[nH+]cc(Cc2cc(F)ccc2F)cc1N ZINC001250091370 967360723 /nfs/dbraw/zinc/36/07/23/967360723.db2.gz LZUQUQJXOXLAIQ-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO c1cc(N2CCCCC2)[nH+]cc1C[C@H]1CCCO1 ZINC001250101115 967372976 /nfs/dbraw/zinc/37/29/76/967372976.db2.gz RKORWYIKCWRLIW-CQSZACIVSA-N 1 2 246.354 2.793 20 0 BFADLO CC[C@@H](C)C[C@@H](C)[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001168691053 967383126 /nfs/dbraw/zinc/38/31/26/967383126.db2.gz SBKNDQIQGOSCFE-NXEZZACHSA-N 1 2 247.342 2.813 20 0 BFADLO c1cn2cc(-c3ccc4cncnc4c3)ccc2[nH+]1 ZINC001240217951 967428328 /nfs/dbraw/zinc/42/83/28/967428328.db2.gz SRYXIMDXNZJMKC-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCn1nccc1Nc1c[nH+]c(C)cc1C ZINC001205274983 967465288 /nfs/dbraw/zinc/46/52/88/967465288.db2.gz XRSKQUJOFIWIAU-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001250171203 967474584 /nfs/dbraw/zinc/47/45/84/967474584.db2.gz IONBLRXXVBRKNY-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC001250171203 967474599 /nfs/dbraw/zinc/47/45/99/967474599.db2.gz IONBLRXXVBRKNY-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(Nc2ccnn2CC)cc(C)[nH+]1 ZINC001205282338 967475759 /nfs/dbraw/zinc/47/57/59/967475759.db2.gz ZRTHZOXHENXIMN-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+](CC)C1COC1 ZINC001250180802 967480013 /nfs/dbraw/zinc/48/00/13/967480013.db2.gz SVHDKRAKCRXVQI-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+](CC)C1COC1 ZINC001250180802 967480019 /nfs/dbraw/zinc/48/00/19/967480019.db2.gz SVHDKRAKCRXVQI-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO OCc1cc(-c2cccc3[nH+]ccn32)cs1 ZINC001205291065 967492698 /nfs/dbraw/zinc/49/26/98/967492698.db2.gz XTVISQVULIIEOP-UHFFFAOYSA-N 1 2 230.292 2.555 20 0 BFADLO COc1cc(C)cc(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC001143150949 967644612 /nfs/dbraw/zinc/64/46/12/967644612.db2.gz ZCBATOPPOCBOLG-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1cc(C)cc(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC001143150949 967644614 /nfs/dbraw/zinc/64/46/14/967644614.db2.gz ZCBATOPPOCBOLG-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO Fc1ccc(Cl)cc1CCn1cc[nH+]c1 ZINC001250316142 967677164 /nfs/dbraw/zinc/67/71/64/967677164.db2.gz BTHMQEQWZRXDOF-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO Cc1cc(F)ccc1CCn1cc[nH+]c1 ZINC001250315800 967678962 /nfs/dbraw/zinc/67/89/62/967678962.db2.gz RIRYPLQBHJKAOI-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO COc1nc(C(C)C)ccc1CCn1cc[nH+]c1 ZINC001250316736 967684639 /nfs/dbraw/zinc/68/46/39/967684639.db2.gz VFJASKZWMCPNQB-UHFFFAOYSA-N 1 2 245.326 2.653 20 0 BFADLO CCOc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250316731 967684889 /nfs/dbraw/zinc/68/48/89/967684889.db2.gz VCCLVGFVJLWJHL-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO CCOc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316735 967686832 /nfs/dbraw/zinc/68/68/32/967686832.db2.gz VEWQCJSJWJHRGO-UHFFFAOYSA-N 1 2 216.284 2.525 20 0 BFADLO Cc1cc2cc(CCn3cc[nH+]c3)ccc2[nH]1 ZINC001250318631 967690052 /nfs/dbraw/zinc/69/00/52/967690052.db2.gz HONQUYZZFBKOFZ-UHFFFAOYSA-N 1 2 225.295 2.916 20 0 BFADLO COc1cc(Cl)ccc1CCn1cc[nH+]c1 ZINC001250318388 967690724 /nfs/dbraw/zinc/69/07/24/967690724.db2.gz GBGBXNBYCQQIPX-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO CCc1cc(OC)ccc1CCn1cc[nH+]c1 ZINC001250318626 967690832 /nfs/dbraw/zinc/69/08/32/967690832.db2.gz HDUUJTSZHQXDGB-UHFFFAOYSA-N 1 2 230.311 2.697 20 0 BFADLO CC(C)C1C[NH+](Cc2c(Cl)ccnc2F)C1 ZINC001205547391 967691797 /nfs/dbraw/zinc/69/17/97/967691797.db2.gz BDIDJIQHWJSOOM-UHFFFAOYSA-N 1 2 242.725 2.962 20 0 BFADLO O=C1CCCc2cc(CCn3cc[nH+]c3)ccc21 ZINC001250319555 967693493 /nfs/dbraw/zinc/69/34/93/967693493.db2.gz VBWZWCDBXPHNOR-UHFFFAOYSA-N 1 2 240.306 2.645 20 0 BFADLO c1cc2cccc(CCn3cc[nH+]c3)c2[nH]1 ZINC001250318929 967693752 /nfs/dbraw/zinc/69/37/52/967693752.db2.gz MQSIOSKPVVIEPM-UHFFFAOYSA-N 1 2 211.268 2.607 20 0 BFADLO CO[C@@H](C)c1cccc(CCn2cc[nH+]c2)c1 ZINC001250319042 967695482 /nfs/dbraw/zinc/69/54/82/967695482.db2.gz PRENJHQOJSNOQO-LBPRGKRZSA-N 1 2 230.311 2.833 20 0 BFADLO COc1c(C)cc(C)cc1CCn1cc[nH+]c1 ZINC001250320780 967697197 /nfs/dbraw/zinc/69/71/97/967697197.db2.gz PVPSKSCJXRJRFK-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO CSc1cccc(CCn2cc[nH+]c2)c1F ZINC001250320247 967697563 /nfs/dbraw/zinc/69/75/63/967697563.db2.gz JNSONDRZUJUZLF-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO Fc1ncc(C2CC2)cc1CCn1cc[nH+]c1 ZINC001250320220 967698112 /nfs/dbraw/zinc/69/81/12/967698112.db2.gz JDYBBPDWNDIMBX-UHFFFAOYSA-N 1 2 231.274 2.537 20 0 BFADLO Oc1cc(F)c(CCn2cc[nH+]c2)cc1Cl ZINC001250320988 967699032 /nfs/dbraw/zinc/69/90/32/967699032.db2.gz UZKYOQNMXGHIEJ-UHFFFAOYSA-N 1 2 240.665 2.624 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001205616559 967728145 /nfs/dbraw/zinc/72/81/45/967728145.db2.gz IDEINTCUHYVICJ-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001205616559 967728161 /nfs/dbraw/zinc/72/81/61/967728161.db2.gz IDEINTCUHYVICJ-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO CCCCNc1ccc([C@@H](C)C(=O)OC)c[nH+]1 ZINC001162202389 967731384 /nfs/dbraw/zinc/73/13/84/967731384.db2.gz UJLQWOVPLAAQSG-SNVBAGLBSA-N 1 2 236.315 2.570 20 0 BFADLO CCOc1nccc(C[NH+]2CC=CC2)c1Cl ZINC001250360542 967764068 /nfs/dbraw/zinc/76/40/68/967764068.db2.gz AGDQEAXMCRUNLY-UHFFFAOYSA-N 1 2 238.718 2.506 20 0 BFADLO Cc1cc(Cc2ccc(N3CCCC3)[nH+]c2)on1 ZINC001250365698 967776876 /nfs/dbraw/zinc/77/68/76/967776876.db2.gz ZASWCJOQQGCLLQ-UHFFFAOYSA-N 1 2 243.310 2.569 20 0 BFADLO Cc1cccc(Cc2c[nH+]cc(C)c2C)n1 ZINC001250425502 967837054 /nfs/dbraw/zinc/83/70/54/967837054.db2.gz KYZYFJIZTADHKJ-UHFFFAOYSA-N 1 2 212.296 2.993 20 0 BFADLO COc1cc2[nH+]c(C3CC3)[nH]c2cc1F ZINC001250427184 967843051 /nfs/dbraw/zinc/84/30/51/967843051.db2.gz XTULTZGPZORGBI-UHFFFAOYSA-N 1 2 206.220 2.588 20 0 BFADLO c1c2c(cc3[nH+]c([C@H]4CCOC4)[nH]c13)CCC2 ZINC001250431330 967848562 /nfs/dbraw/zinc/84/85/62/967848562.db2.gz BOCYAASVXGKGEE-NSHDSACASA-N 1 2 228.295 2.556 20 0 BFADLO c1c2c(cc3[nH+]c(C4CCC4)[nH]c13)OCC2 ZINC001250432086 967850075 /nfs/dbraw/zinc/85/00/75/967850075.db2.gz YCBXDSNVMWNPDI-UHFFFAOYSA-N 1 2 214.268 2.765 20 0 BFADLO Cc1cccc2c1[nH+]c(CC1CCOCC1)n2C ZINC001250431595 967851060 /nfs/dbraw/zinc/85/10/60/967851060.db2.gz NWVXHJCIPXAMSW-UHFFFAOYSA-N 1 2 244.338 2.851 20 0 BFADLO COc1cc[nH+]cc1N[C@@H]1CCCC[C@H]1F ZINC001162508469 967851954 /nfs/dbraw/zinc/85/19/54/967851954.db2.gz ABEVETLHUJNKHC-NXEZZACHSA-N 1 2 224.279 2.783 20 0 BFADLO CC(C)(Nc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC001162514386 967854704 /nfs/dbraw/zinc/85/47/04/967854704.db2.gz DKJAIQTTXYVRCH-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC(C)(Nc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC001162514386 967854707 /nfs/dbraw/zinc/85/47/07/967854707.db2.gz DKJAIQTTXYVRCH-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(O)c(F)c2F)[C@H]1C ZINC001206013809 967943887 /nfs/dbraw/zinc/94/38/87/967943887.db2.gz AVMLKFMSQZSKEN-YUMQZZPRSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]1C ZINC001206013809 967943914 /nfs/dbraw/zinc/94/39/14/967943914.db2.gz AVMLKFMSQZSKEN-YUMQZZPRSA-N 1 2 227.254 2.511 20 0 BFADLO Fc1ccc(Cl)cc1C[NH+]1CC=CC1 ZINC001205998829 967953940 /nfs/dbraw/zinc/95/39/40/967953940.db2.gz LADAQIKVXFCRMU-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(O)cc1F ZINC001206057914 968026724 /nfs/dbraw/zinc/02/67/24/968026724.db2.gz VPEJQIGGHRXRCS-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Cc1cccc(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001250601273 968142667 /nfs/dbraw/zinc/14/26/67/968142667.db2.gz FLZDHLWLOXNMAX-UHFFFAOYSA-N 1 2 227.311 2.826 20 0 BFADLO COc1ccc2c(c1)[nH+]c([C@H]1C[C@H]1C)n2C ZINC001250616303 968164005 /nfs/dbraw/zinc/16/40/05/968164005.db2.gz ZRLNCKPMDGMSFN-SCZZXKLOSA-N 1 2 216.284 2.705 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(C)cc2N)c(O)c1 ZINC001206254888 968171400 /nfs/dbraw/zinc/17/14/00/968171400.db2.gz IUWANBJJHJOVJR-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCC1CCN(c2nc(C)[nH+]c3c2CCC3)CC1 ZINC001164451310 968234278 /nfs/dbraw/zinc/23/42/78/968234278.db2.gz DBOJUEAMJGQKFV-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO CC[N@H+](Cc1ccnn1C)Cc1ccccc1F ZINC001206355208 968253595 /nfs/dbraw/zinc/25/35/95/968253595.db2.gz MMPWQSFLVRQDAG-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1ccnn1C)Cc1ccccc1F ZINC001206355208 968253606 /nfs/dbraw/zinc/25/36/06/968253606.db2.gz MMPWQSFLVRQDAG-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO c1cn2c(cccc2-c2nc3ccccc3[nH]2)[nH+]1 ZINC001251326712 968283975 /nfs/dbraw/zinc/28/39/75/968283975.db2.gz TXGHNDAAPFUTGI-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO C[N@H+](C/C=C\c1cccc(F)c1)Cc1cnc[nH]1 ZINC001206628728 968422870 /nfs/dbraw/zinc/42/28/70/968422870.db2.gz KLEVDILLNSDQPG-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C\c1cccc(F)c1)Cc1cnc[nH]1 ZINC001206628728 968422876 /nfs/dbraw/zinc/42/28/76/968422876.db2.gz KLEVDILLNSDQPG-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@H+](C/C=C\c1cccc(F)c1)Cc1c[nH]cn1 ZINC001206628728 968422882 /nfs/dbraw/zinc/42/28/82/968422882.db2.gz KLEVDILLNSDQPG-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C\c1cccc(F)c1)Cc1c[nH]cn1 ZINC001206628728 968422888 /nfs/dbraw/zinc/42/28/88/968422888.db2.gz KLEVDILLNSDQPG-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO CNc1ccc(Nc2cnc(OC)c(C)c2)c[nH+]1 ZINC001203449094 968440199 /nfs/dbraw/zinc/44/01/99/968440199.db2.gz ZHHGOZWYGHUYGO-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO Cc1cccc2nc(C[NH2+]Cc3ccoc3)cn21 ZINC000731678741 968466784 /nfs/dbraw/zinc/46/67/84/968466784.db2.gz KEQVLHSPKBPAIV-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO Fc1cncc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001207017093 968553890 /nfs/dbraw/zinc/55/38/90/968553890.db2.gz OXUIKISGFWXKQA-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cncc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001207017093 968553901 /nfs/dbraw/zinc/55/39/01/968553901.db2.gz OXUIKISGFWXKQA-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@H]1CCCCN1Cc1[nH+]cc2ccccn21 ZINC001207048596 968582424 /nfs/dbraw/zinc/58/24/24/968582424.db2.gz XEFHSNBVDAKCKR-GFCCVEGCSA-N 1 2 229.327 2.709 20 0 BFADLO CN(Cc1[nH+]cc2ccccn21)CC(C)(C)C ZINC001207053502 968585224 /nfs/dbraw/zinc/58/52/24/968585224.db2.gz TWUXFGPXWQDPMT-UHFFFAOYSA-N 1 2 231.343 2.812 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)s1 ZINC001207058987 968592098 /nfs/dbraw/zinc/59/20/98/968592098.db2.gz QKUBHLCBMJNOKM-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)s1 ZINC001207058987 968592108 /nfs/dbraw/zinc/59/21/08/968592108.db2.gz QKUBHLCBMJNOKM-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO C[N@H+](Cc1cccc(=O)[nH]1)Cc1ccccc1F ZINC001207070788 968601570 /nfs/dbraw/zinc/60/15/70/968601570.db2.gz GEFBSOWFAABZDG-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1ccccc1F ZINC001207070788 968601573 /nfs/dbraw/zinc/60/15/73/968601573.db2.gz GEFBSOWFAABZDG-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO CCCCNc1[nH+]cc(C)cc1C(OC)OC ZINC001154827583 968683885 /nfs/dbraw/zinc/68/38/85/968683885.db2.gz CSAIPKLDZYFHDS-UHFFFAOYSA-N 1 2 238.331 2.893 20 0 BFADLO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1Cc2ncsc2C1 ZINC001207632819 968849610 /nfs/dbraw/zinc/84/96/10/968849610.db2.gz SVYZNEKNTAPMLL-HBNTYKKESA-N 1 2 232.352 2.671 20 0 BFADLO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1Cc2ncsc2C1 ZINC001207632819 968849611 /nfs/dbraw/zinc/84/96/11/968849611.db2.gz SVYZNEKNTAPMLL-HBNTYKKESA-N 1 2 232.352 2.671 20 0 BFADLO C[C@@H](C[NH+]1CC(C)(F)C1)c1ccccc1 ZINC001207903638 968925287 /nfs/dbraw/zinc/92/52/87/968925287.db2.gz PAWBZHLMTIRKLD-NSHDSACASA-N 1 2 207.292 2.834 20 0 BFADLO COc1ccc(C)c(-c2cc[nH+]c(N)c2)c1 ZINC001241170732 968943863 /nfs/dbraw/zinc/94/38/63/968943863.db2.gz QCAUVZPYVCKARZ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1c(F)cc(-c2cc[nH+]c(N)c2)cc1F ZINC001241161978 968944440 /nfs/dbraw/zinc/94/44/40/968944440.db2.gz DDVCASBNPYASAF-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Cc1ccc(N(C)C)c(-c2cc[nH+]c(N)c2)c1 ZINC001241170082 968945171 /nfs/dbraw/zinc/94/51/71/968945171.db2.gz INJHQRNKJFRUAF-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO CCC[C@@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001252788210 968967272 /nfs/dbraw/zinc/96/72/72/968967272.db2.gz VPKWVZAQNIIIIH-CYBMUJFWSA-N 1 2 230.311 2.808 20 0 BFADLO COc1ncc(-c2c[nH+]c(C)cc2OC)s1 ZINC001241414017 968994077 /nfs/dbraw/zinc/99/40/77/968994077.db2.gz FHPSFPXFTARKQW-UHFFFAOYSA-N 1 2 236.296 2.531 20 0 BFADLO CC/C=C\CCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001208134930 969033937 /nfs/dbraw/zinc/03/39/37/969033937.db2.gz SMDRXWJYBSFXPY-MVZIDQBPSA-N 1 2 227.323 2.736 20 0 BFADLO CC/C=C\CCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001208134930 969033941 /nfs/dbraw/zinc/03/39/41/969033941.db2.gz SMDRXWJYBSFXPY-MVZIDQBPSA-N 1 2 227.323 2.736 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC(C)=C[C@H]2C)no1 ZINC001208161784 969089697 /nfs/dbraw/zinc/08/96/97/969089697.db2.gz ODAGKLBGJQGKCL-YPMHNXCESA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCC(C)=C[C@H]2C)no1 ZINC001208161784 969089708 /nfs/dbraw/zinc/08/97/08/969089708.db2.gz ODAGKLBGJQGKCL-YPMHNXCESA-N 1 2 249.358 2.802 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cscn1 ZINC001241891787 969133065 /nfs/dbraw/zinc/13/30/65/969133065.db2.gz NAFQYNFZUCPNRB-UHFFFAOYSA-N 1 2 206.270 2.522 20 0 BFADLO OC[C@H]1CCC(F)(F)C[N@@H+]1CCC1CCCC1 ZINC001208690269 969196612 /nfs/dbraw/zinc/19/66/12/969196612.db2.gz FKNMNVBOYDNVAO-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@H]1CCC(F)(F)C[N@H+]1CCC1CCCC1 ZINC001208690269 969196614 /nfs/dbraw/zinc/19/66/14/969196614.db2.gz FKNMNVBOYDNVAO-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO Fc1ccc(C2=CCOCC2)cc1-n1cc[nH+]c1 ZINC001242078452 969201818 /nfs/dbraw/zinc/20/18/18/969201818.db2.gz BDJUVSPRFUQZJB-UHFFFAOYSA-N 1 2 244.269 2.815 20 0 BFADLO CC(C)CCC[N@@H+]1CC(F)(F)CC[C@@H]1CO ZINC001208734470 969222063 /nfs/dbraw/zinc/22/20/63/969222063.db2.gz ZJBCYUILCISDPB-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)CCC[N@H+]1CC(F)(F)CC[C@@H]1CO ZINC001208734470 969222068 /nfs/dbraw/zinc/22/20/68/969222068.db2.gz ZJBCYUILCISDPB-LLVKDONJSA-N 1 2 235.318 2.515 20 0 BFADLO COc1cc[nH+]cc1NCc1cc(C(C)C)no1 ZINC001168827276 969227436 /nfs/dbraw/zinc/22/74/36/969227436.db2.gz HVQROUZNRRWRNT-UHFFFAOYSA-N 1 2 247.298 2.814 20 0 BFADLO CNc1ccc(N[C@H](C)c2ccc(C)cn2)c[nH+]1 ZINC001168854421 969235539 /nfs/dbraw/zinc/23/55/39/969235539.db2.gz NKWVLVATGLZZNU-LLVKDONJSA-N 1 2 242.326 3.000 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)cc1O ZINC001242217517 969268006 /nfs/dbraw/zinc/26/80/06/969268006.db2.gz DJFNSUYMEDJZDS-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO CCC(=O)C(C)(C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001208918708 969306366 /nfs/dbraw/zinc/30/63/66/969306366.db2.gz QQKLWSAFHNXZQK-JTQLQIEISA-N 1 2 247.329 2.969 20 0 BFADLO CCC(=O)C(C)(C)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001208918708 969306370 /nfs/dbraw/zinc/30/63/70/969306370.db2.gz QQKLWSAFHNXZQK-JTQLQIEISA-N 1 2 247.329 2.969 20 0 BFADLO CCc1[nH+]ccc(C)c1NC[C@H](O)C(C)(C)C ZINC001253721964 969347814 /nfs/dbraw/zinc/34/78/14/969347814.db2.gz LSTDIIMTGMWZEY-LBPRGKRZSA-N 1 2 236.359 2.771 20 0 BFADLO CC(C)[C@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253773977 969394494 /nfs/dbraw/zinc/39/44/94/969394494.db2.gz ZYZBOMWLXTZTRU-CYBMUJFWSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)[nH]1 ZINC001209567992 969551731 /nfs/dbraw/zinc/55/17/31/969551731.db2.gz AXSJTMCUVRVGNF-NWDGAFQWSA-N 1 2 228.286 2.595 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)[nH]1 ZINC001209567992 969551733 /nfs/dbraw/zinc/55/17/33/969551733.db2.gz AXSJTMCUVRVGNF-NWDGAFQWSA-N 1 2 228.286 2.595 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccc(C)[nH]1)C2 ZINC001209578957 969561600 /nfs/dbraw/zinc/56/16/00/969561600.db2.gz RLYVKGGOPVAPCX-UHFFFAOYSA-N 1 2 242.322 2.848 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccc(C)[nH]1)C2 ZINC001209578957 969561608 /nfs/dbraw/zinc/56/16/08/969561608.db2.gz RLYVKGGOPVAPCX-UHFFFAOYSA-N 1 2 242.322 2.848 20 0 BFADLO Cc1cccn2cc(C[N@@H+]3CCC[C@@H]3CF)nc12 ZINC001209744294 969601999 /nfs/dbraw/zinc/60/19/99/969601999.db2.gz NSAVGXOJJWMZLC-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2cc(C[N@H+]3CCC[C@@H]3CF)nc12 ZINC001209744294 969602004 /nfs/dbraw/zinc/60/20/04/969602004.db2.gz NSAVGXOJJWMZLC-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ncccc1F ZINC001209804594 969628225 /nfs/dbraw/zinc/62/82/25/969628225.db2.gz BIROIDWZTYTAGC-UHFFFAOYSA-N 1 2 233.246 2.758 20 0 BFADLO CCc1cnc(Nc2ccc3[nH]c[nH+]c3c2)cn1 ZINC001209842571 969654367 /nfs/dbraw/zinc/65/43/67/969654367.db2.gz MYDCVFMCDXIVJQ-UHFFFAOYSA-N 1 2 239.282 2.659 20 0 BFADLO Oc1cc(F)ccc1Nc1cccc2[nH+]ccn21 ZINC001210014036 969757047 /nfs/dbraw/zinc/75/70/47/969757047.db2.gz AWENYNYQDRJPHB-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cn1ccc(Nc2cccc3cc[nH+]cc32)n1 ZINC001210222351 969836819 /nfs/dbraw/zinc/83/68/19/969836819.db2.gz DAATTXFHTBUBHC-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO Cc1nonc1Nc1cccc2cc[nH+]cc21 ZINC001210223630 969836851 /nfs/dbraw/zinc/83/68/51/969836851.db2.gz AZLFDGGCQUJZRR-UHFFFAOYSA-N 1 2 226.239 2.670 20 0 BFADLO c1cnc(Nc2cccc3cc[nH+]cc32)nc1 ZINC001210222511 969837678 /nfs/dbraw/zinc/83/76/78/969837678.db2.gz LDNXAIIVYRTPNC-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(Cl)nc2)cc1N ZINC001210287647 969850123 /nfs/dbraw/zinc/85/01/23/969850123.db2.gz YXWNEEVPMJAAPJ-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1[nH+]cc(Nc2cc(F)cc(F)c2)cc1N ZINC001210288012 969856348 /nfs/dbraw/zinc/85/63/48/969856348.db2.gz GZFTUOVGSGKVDQ-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CSc1cc(Nc2c[nH+]c(C)c(N)c2)ccn1 ZINC001210287995 969856776 /nfs/dbraw/zinc/85/67/76/969856776.db2.gz GDZLOUYSRXNEBU-UHFFFAOYSA-N 1 2 246.339 2.833 20 0 BFADLO COc1ccc(Nc2c[nH+]c(C)c(N)c2)c(F)c1 ZINC001210288605 969857237 /nfs/dbraw/zinc/85/72/37/969857237.db2.gz QFFHGDOTIRGUHQ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH+]cc(Nc2ccccc2N(C)C)cc1N ZINC001210288562 969857303 /nfs/dbraw/zinc/85/73/03/969857303.db2.gz SPQCHKNBNUIODR-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO Cc1[nH+]cc(Nc2c(N)ccc(F)c2C)cc1N ZINC001210291582 969858833 /nfs/dbraw/zinc/85/88/33/969858833.db2.gz OFMIXENMVQRHNP-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO Cc1cc(CO)cc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210291956 969859203 /nfs/dbraw/zinc/85/92/03/969859203.db2.gz VQGFZTXZEKHSRB-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO C[C@@H]1CN(c2ccc(Cl)c(N)[nH+]2)C2(CC2)C1 ZINC001156423729 969893277 /nfs/dbraw/zinc/89/32/77/969893277.db2.gz ANYUCKLWTNVBJC-QMMMGPOBSA-N 1 2 237.734 2.696 20 0 BFADLO COc1cc[nH+]c(Nc2ccnn2C(C)C)c1 ZINC001210513074 969921128 /nfs/dbraw/zinc/92/11/28/969921128.db2.gz WAPPSTAXJXRUQF-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO CC(C)c1ccc(N[C@@](C)(C(N)=O)C(C)C)[nH+]c1 ZINC001156649007 969963117 /nfs/dbraw/zinc/96/31/17/969963117.db2.gz UIPPJVDTLXDZDL-CQSZACIVSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1ccc(Nc2cc(CO)ccc2C)[nH+]c1 ZINC001210677233 969996191 /nfs/dbraw/zinc/99/61/91/969996191.db2.gz DZGPMYMUPAPMHV-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1ccc(CO)cc1Nc1[nH+]cccc1C ZINC001210677656 969997214 /nfs/dbraw/zinc/99/72/14/969997214.db2.gz KUAUSKXCNZQFQA-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1oncc1-c1cc(C)cn2cc[nH+]c12 ZINC001242603369 970012406 /nfs/dbraw/zinc/01/24/06/970012406.db2.gz ZFDNHXRLBURFQF-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CCc1cccc(C)c1[N@@H+]1C=C(N)C(C)=CC1=N ZINC001210874377 970058539 /nfs/dbraw/zinc/05/85/39/970058539.db2.gz GEGPNIXLRIDQTN-UHFFFAOYSA-N 1 2 241.338 2.718 20 0 BFADLO CCc1cccc(C)c1[N@H+]1C=C(N)C(C)=CC1=N ZINC001210874377 970058543 /nfs/dbraw/zinc/05/85/43/970058543.db2.gz GEGPNIXLRIDQTN-UHFFFAOYSA-N 1 2 241.338 2.718 20 0 BFADLO Cc1ccc(Nc2cc(F)c(N)c(F)c2)[nH+]c1 ZINC001210903865 970065680 /nfs/dbraw/zinc/06/56/80/970065680.db2.gz GLWMPMNSCUXUQK-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CCCC[C@H](C)[NH2+]CC(=O)OCc1ccccc1 ZINC001255312730 970081536 /nfs/dbraw/zinc/08/15/36/970081536.db2.gz VLQROAVFWXSXQT-ZDUSSCGKSA-N 1 2 249.354 2.898 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(O)c1Cl ZINC001242800252 970088275 /nfs/dbraw/zinc/08/82/75/970088275.db2.gz KRBHINZMMWMXAM-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Cc1cn2cccc(Nc3nccs3)c2[nH+]1 ZINC001210989241 970102403 /nfs/dbraw/zinc/10/24/03/970102403.db2.gz BARDWZUCYSHJCU-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Cc1ccc(Nc2cccc(CO)c2C)[nH+]c1 ZINC001211011963 970116107 /nfs/dbraw/zinc/11/61/07/970116107.db2.gz MAIYPJUVWNFCLE-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1ccc(Nc2cc(C)ccc2CO)[nH+]c1 ZINC001211013411 970116896 /nfs/dbraw/zinc/11/68/96/970116896.db2.gz WTRDVOXBWRAOBQ-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1ccc(O)c(Nc2cccc(CO)c2C)[nH+]1 ZINC001211162240 970165438 /nfs/dbraw/zinc/16/54/38/970165438.db2.gz RNDAIUDMHXDIJY-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO CC(C)CCC[C@@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001170074563 970166970 /nfs/dbraw/zinc/16/69/70/970166970.db2.gz UXUGBVGJZSOYFY-NEPJUHHUSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CCC[C@@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001170074563 970166975 /nfs/dbraw/zinc/16/69/75/970166975.db2.gz UXUGBVGJZSOYFY-NEPJUHHUSA-N 1 2 249.345 2.903 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnccc1Br ZINC001243059421 970224128 /nfs/dbraw/zinc/22/41/28/970224128.db2.gz UKJBKAVDMPDRAG-QKVOYMTASA-N 1 2 239.116 2.720 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc(C(C)(C)C)c1 ZINC001243070409 970266047 /nfs/dbraw/zinc/26/60/47/970266047.db2.gz VIOMPIRRQANPGH-UHFFFAOYSA-N 1 2 215.300 2.780 20 0 BFADLO COc1ccc2nccc(-c3c[nH+]cn3C)c2c1 ZINC001243070492 970271312 /nfs/dbraw/zinc/27/13/12/970271312.db2.gz FZRSZZUQRYXWNU-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c(c1)NCC2 ZINC001213148295 970287910 /nfs/dbraw/zinc/28/79/10/970287910.db2.gz WLARQPWZDBWUBM-UHFFFAOYSA-N 1 2 241.294 2.802 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cnoc1 ZINC001213491413 970326477 /nfs/dbraw/zinc/32/64/77/970326477.db2.gz JGPCDNQZJQITNW-UHFFFAOYSA-N 1 2 215.256 2.999 20 0 BFADLO Cc1nccc(Nc2c[nH+]c(C)cc2C)n1 ZINC001213503659 970331277 /nfs/dbraw/zinc/33/12/77/970331277.db2.gz RBIBBUYBALTKDU-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cc(C)c(Nc2cnncc2Cl)c[nH+]1 ZINC001213508195 970332429 /nfs/dbraw/zinc/33/24/29/970332429.db2.gz NBQNMFDIXMVXII-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc(C)c(Nc2nccnc2Cl)c[nH+]1 ZINC001213503679 970335907 /nfs/dbraw/zinc/33/59/07/970335907.db2.gz SCTAAMLEYWNATF-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc(Nc2c[nH+]cc(C)c2C)no1 ZINC001213520736 970340286 /nfs/dbraw/zinc/34/02/86/970340286.db2.gz GZMZTNSTAMJLCC-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1c[nH+]cc(Nc2cnc(Cl)cn2)c1C ZINC001213522741 970341324 /nfs/dbraw/zinc/34/13/24/970341324.db2.gz FSEUSZAHNSTNJL-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCOc1cc(Nc2c[nH+]c(C)cc2C)no1 ZINC001213511107 970341528 /nfs/dbraw/zinc/34/15/28/970341528.db2.gz WOPREJKHKMFLNO-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO COc1cc[nH+]c(Nc2cncc(C)c2C)c1 ZINC001213523589 970342912 /nfs/dbraw/zinc/34/29/12/970342912.db2.gz VMRDIEYWOWZSEA-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cnc(C)c(Nc2c[nH+]cc(C)c2C)n1 ZINC001213523598 970343826 /nfs/dbraw/zinc/34/38/26/970343826.db2.gz VVFKRKFMTPNHOC-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]cc(Nc2ccnnc2Cl)c1C ZINC001213524634 970344807 /nfs/dbraw/zinc/34/48/07/970344807.db2.gz AVVDKWTZAWYETL-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]cc(Nc2cncc(Cl)n2)c1C ZINC001213523746 970346904 /nfs/dbraw/zinc/34/69/04/970346904.db2.gz ZXPDTMHMTQKOKT-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]cc(Nc2nonc2C2CC2)c1C ZINC001213527589 970347415 /nfs/dbraw/zinc/34/74/15/970347415.db2.gz UXILBJWBQIFLQU-UHFFFAOYSA-N 1 2 230.271 2.702 20 0 BFADLO COc1ncc(Nc2c[nH+]cc(C)c2C)cc1F ZINC001213525050 970347719 /nfs/dbraw/zinc/34/77/19/970347719.db2.gz MCIJQMZMCUVXGP-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1cccnc1Nc1c[nH+]cc(C)c1C ZINC001213524684 970348749 /nfs/dbraw/zinc/34/87/49/970348749.db2.gz CZCSSSDESFROFB-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cncc(Nc2c[nH+]cc(C)c2C)c1 ZINC001213524646 970349738 /nfs/dbraw/zinc/34/97/38/970349738.db2.gz BCDHECVMJZDSFL-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(N)c1 ZINC001214184504 970456233 /nfs/dbraw/zinc/45/62/33/970456233.db2.gz JMUOSBWSTYBOHE-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Nc1ccc(F)cc1Nc1cccc2[nH+]ccn21 ZINC001214197016 970459849 /nfs/dbraw/zinc/45/98/49/970459849.db2.gz RAFZTTIILBBXBD-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO Cc1cc(-c2nc3[nH]ccc3c[nH+]2)cc(C)c1O ZINC001243303986 970465501 /nfs/dbraw/zinc/46/55/01/970465501.db2.gz UTMSNXOUZKDFFT-UHFFFAOYSA-N 1 2 239.278 2.899 20 0 BFADLO COc1cc[nH+]c(Nc2cc(C)ccc2O)c1 ZINC001214218570 970469520 /nfs/dbraw/zinc/46/95/20/970469520.db2.gz DFMXLFCYFVMHKU-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CCCCCCc1nnc([C@H](C)[NH+](C)C)o1 ZINC001256356466 970753217 /nfs/dbraw/zinc/75/32/17/970753217.db2.gz ZCAWCIYAJCGWGY-JTQLQIEISA-N 1 2 225.336 2.815 20 0 BFADLO Nc1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001243455054 970754899 /nfs/dbraw/zinc/75/48/99/970754899.db2.gz JCGSAZRKQKPFNG-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cc1ccc2c(c1)CC[C@H]2OCc1c[nH+]cn1C ZINC001222585400 972586474 /nfs/dbraw/zinc/58/64/74/972586474.db2.gz IMQKAWDVFDDKMO-OAHLLOKOSA-N 1 2 242.322 2.933 20 0 BFADLO C[C@@H](OCc1c[nH+]cn1C)c1cccs1 ZINC001222586159 972587284 /nfs/dbraw/zinc/58/72/84/972587284.db2.gz MOQQAHDRMVGGMH-SECBINFHSA-N 1 2 222.313 2.759 20 0 BFADLO COc1ccccc1[C@H](C)OCc1c[nH+]cn1C ZINC001222595062 972593559 /nfs/dbraw/zinc/59/35/59/972593559.db2.gz NDHCGNMRBHXPSX-NSHDSACASA-N 1 2 246.310 2.707 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)C1CCCC1 ZINC001222600974 972594322 /nfs/dbraw/zinc/59/43/22/972594322.db2.gz XAQMNSGVTNRTOX-JTQLQIEISA-N 1 2 208.305 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C)[C@H]1OCc1c[nH+]cn1C ZINC001222601016 972599488 /nfs/dbraw/zinc/59/94/88/972599488.db2.gz XJRJWGJLHHAGPC-PJXYFTJBSA-N 1 2 222.332 2.761 20 0 BFADLO c1coc(COC2C[NH+](Cc3ccccc3)C2)c1 ZINC001223053385 972823659 /nfs/dbraw/zinc/82/36/59/972823659.db2.gz XEYDDUKYUWFYTB-UHFFFAOYSA-N 1 2 243.306 2.681 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC001144521012 972853441 /nfs/dbraw/zinc/85/34/41/972853441.db2.gz KOINDYBCDNACOV-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1cccnc1C(F)(F)F ZINC001144521012 972853444 /nfs/dbraw/zinc/85/34/44/972853444.db2.gz KOINDYBCDNACOV-QMMMGPOBSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545139 972856962 /nfs/dbraw/zinc/85/69/62/972856962.db2.gz TUMJWFACZYEUSO-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545139 972856967 /nfs/dbraw/zinc/85/69/67/972856967.db2.gz TUMJWFACZYEUSO-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO Cc1cc(CO[C@H](C)c2cncnc2)cc(C)[nH+]1 ZINC001223424293 973063756 /nfs/dbraw/zinc/06/37/56/973063756.db2.gz JAMBNEQSMVDWBN-GFCCVEGCSA-N 1 2 243.310 2.766 20 0 BFADLO Cc1cc(CO[C@H]2CCO[C@@H](C)C2)cc(C)[nH+]1 ZINC001223424160 973064404 /nfs/dbraw/zinc/06/44/04/973064404.db2.gz ISIGCYFUZKOWAK-JSGCOSHPSA-N 1 2 235.327 2.783 20 0 BFADLO CC(C)c1ccccc1COC1C[NH+](C)C1 ZINC001223907893 973329200 /nfs/dbraw/zinc/32/92/00/973329200.db2.gz OBRFILJZQMFASQ-UHFFFAOYSA-N 1 2 219.328 2.641 20 0 BFADLO C[NH+](C)Cc1nnc([C@H]2CCCC[C@H]2C2CC2)o1 ZINC001329146273 973511475 /nfs/dbraw/zinc/51/14/75/973511475.db2.gz HETWTVVAPPELGO-RYUDHWBXSA-N 1 2 249.358 2.815 20 0 BFADLO Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC1(F)F)C2 ZINC001171394606 974004423 /nfs/dbraw/zinc/00/44/23/974004423.db2.gz ULLCKSCZOUOLEU-CABZTGNLSA-N 1 2 241.256 2.680 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@H](CC)OC ZINC001224965585 974107191 /nfs/dbraw/zinc/10/71/91/974107191.db2.gz LLWKBGFMXQEJJI-NSHDSACASA-N 1 2 231.336 2.612 20 0 BFADLO CCOC(=[NH2+])CCCCOCCOC(C)C ZINC001224964133 974105614 /nfs/dbraw/zinc/10/56/14/974105614.db2.gz UXYNSACOKDUWCU-UHFFFAOYSA-N 1 2 231.336 2.612 20 0 BFADLO Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)n[nH]1 ZINC001330214043 974161613 /nfs/dbraw/zinc/16/16/13/974161613.db2.gz VGVJMSGQRQAOHX-ZDUSSCGKSA-N 1 2 233.359 2.729 20 0 BFADLO Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)n[nH]1 ZINC001330214043 974161625 /nfs/dbraw/zinc/16/16/25/974161625.db2.gz VGVJMSGQRQAOHX-ZDUSSCGKSA-N 1 2 233.359 2.729 20 0 BFADLO C[C@H](C[N@@H+]1CC[C@@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848137 974210940 /nfs/dbraw/zinc/21/09/40/974210940.db2.gz ZKHDTUQZHBBGRO-WDEREUQCSA-N 1 2 249.345 2.761 20 0 BFADLO C[C@H](C[N@H+]1CC[C@@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848137 974210956 /nfs/dbraw/zinc/21/09/56/974210956.db2.gz ZKHDTUQZHBBGRO-WDEREUQCSA-N 1 2 249.345 2.761 20 0 BFADLO C[NH+]1CC(Oc2cccc(C(C)(C)C)c2)C1 ZINC001225241380 974298636 /nfs/dbraw/zinc/29/86/36/974298636.db2.gz AVNQMYZSIXDQKO-UHFFFAOYSA-N 1 2 219.328 2.677 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1ccccn1 ZINC001225291738 974365281 /nfs/dbraw/zinc/36/52/81/974365281.db2.gz XNQZCTSTMBFXDB-JTQLQIEISA-N 1 2 200.241 2.617 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1nccs1 ZINC001225295558 974369558 /nfs/dbraw/zinc/36/95/58/974369558.db2.gz LHOPHPAXRVWDEN-QMMMGPOBSA-N 1 2 206.270 2.678 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1cccnc1F ZINC001225296251 974373366 /nfs/dbraw/zinc/37/33/66/974373366.db2.gz SMTJGDNAFHGMAN-VIFPVBQESA-N 1 2 218.231 2.756 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172193167 974480555 /nfs/dbraw/zinc/48/05/55/974480555.db2.gz KYTHPVCBFFCXMI-SNVBAGLBSA-N 1 2 243.322 2.948 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172335371 974600535 /nfs/dbraw/zinc/60/05/35/974600535.db2.gz FBIGBMXSOZZBFV-GHMZBOCLSA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172335371 974600538 /nfs/dbraw/zinc/60/05/38/974600538.db2.gz FBIGBMXSOZZBFV-GHMZBOCLSA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@H+](C)CC(F)F ZINC001172362459 974631766 /nfs/dbraw/zinc/63/17/66/974631766.db2.gz SYTCGKNOKWYNIK-NXEZZACHSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)CC(F)F ZINC001172362459 974631776 /nfs/dbraw/zinc/63/17/76/974631776.db2.gz SYTCGKNOKWYNIK-NXEZZACHSA-N 1 2 223.307 2.777 20 0 BFADLO CCc1nn(C[N@H+]2CCC[C@H]2CC)c(=S)o1 ZINC001331464313 974731988 /nfs/dbraw/zinc/73/19/88/974731988.db2.gz MBIXDNHYLWORQX-SECBINFHSA-N 1 2 241.360 2.600 20 0 BFADLO CCc1nn(C[N@@H+]2CCC[C@H]2CC)c(=S)o1 ZINC001331464313 974731993 /nfs/dbraw/zinc/73/19/93/974731993.db2.gz MBIXDNHYLWORQX-SECBINFHSA-N 1 2 241.360 2.600 20 0 BFADLO Cn1cccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001203254444 975056203 /nfs/dbraw/zinc/05/62/03/975056203.db2.gz ZJUDZFMVAIPYFQ-LLVKDONJSA-N 1 2 246.276 2.594 20 0 BFADLO Cn1cccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001203254444 975056208 /nfs/dbraw/zinc/05/62/08/975056208.db2.gz ZJUDZFMVAIPYFQ-LLVKDONJSA-N 1 2 246.276 2.594 20 0 BFADLO CNc1ccc(CNc2cccc[nH+]2)cc1 ZINC000258929501 975210066 /nfs/dbraw/zinc/21/00/66/975210066.db2.gz GYGXVBWIZAFAJD-UHFFFAOYSA-N 1 2 213.284 2.735 20 0 BFADLO Cc1nocc1Nc1c[nH+]c(C)cc1C ZINC001212718580 975229518 /nfs/dbraw/zinc/22/95/18/975229518.db2.gz PHVBLYXBFKOLSX-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1cc[nH+]c(C)c1OC[C@H]1CCC=CO1 ZINC001227260679 975335024 /nfs/dbraw/zinc/33/50/24/975335024.db2.gz TUDZSGIBQDFMIU-GFCCVEGCSA-N 1 2 219.284 2.770 20 0 BFADLO CCOC[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227264122 975337054 /nfs/dbraw/zinc/33/70/54/975337054.db2.gz JDKHBJLNRRWFOR-SNVBAGLBSA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1CCO[C@H](C)C1 ZINC001227263299 975338106 /nfs/dbraw/zinc/33/81/06/975338106.db2.gz CSDJNGGHVPOPEI-PWSUYJOCSA-N 1 2 221.300 2.645 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccccc2F)CCC1=O ZINC001203346049 975367774 /nfs/dbraw/zinc/36/77/74/975367774.db2.gz GMIHVDZWOZWYDG-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccccc2F)CCC1=O ZINC001203346049 975367779 /nfs/dbraw/zinc/36/77/79/975367779.db2.gz GMIHVDZWOZWYDG-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO CC[NH+]1CC(Oc2ccc(O)cc2C(C)(C)C)C1 ZINC001227446540 975422346 /nfs/dbraw/zinc/42/23/46/975422346.db2.gz UKKUEHPMADFWDU-UHFFFAOYSA-N 1 2 249.354 2.773 20 0 BFADLO Cc1ccccc1Nc1[nH+]cccc1CCO ZINC001173815188 975571474 /nfs/dbraw/zinc/57/14/74/975571474.db2.gz PHQHYXVGQNXDMZ-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC[C@H]2C)c(C)[nH+]1 ZINC001333285072 975617289 /nfs/dbraw/zinc/61/72/89/975617289.db2.gz NCYFLVADCTWSTN-PRHODGIISA-N 1 2 232.327 2.535 20 0 BFADLO Cc1cc(C)c([N@@H+]2C(=N)SC=C2N)c(C)c1 ZINC001173843815 975722820 /nfs/dbraw/zinc/72/28/20/975722820.db2.gz QTPTYCOJVXFFQS-UHFFFAOYSA-N 1 2 233.340 2.526 20 0 BFADLO Cc1cc(C)c([N@H+]2C(=N)SC=C2N)c(C)c1 ZINC001173843815 975722827 /nfs/dbraw/zinc/72/28/27/975722827.db2.gz QTPTYCOJVXFFQS-UHFFFAOYSA-N 1 2 233.340 2.526 20 0 BFADLO Cn1c[nH+]c2cc(Nc3cccnc3)ccc21 ZINC001173857781 975793206 /nfs/dbraw/zinc/79/32/06/975793206.db2.gz FKFUFPFBKRPOJB-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO CCCCOc1cccc(OC2C[NH+](C)C2)c1 ZINC001227946122 975807242 /nfs/dbraw/zinc/80/72/42/975807242.db2.gz XZUYNNRSNYYTLN-UHFFFAOYSA-N 1 2 235.327 2.558 20 0 BFADLO Cc1cc(C)cc(Nc2[nH+]cccc2CCO)c1 ZINC001173830853 975853183 /nfs/dbraw/zinc/85/31/83/975853183.db2.gz FOIBOPJRJFINQW-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO c1nnc(C[N@@H+]2CCCC3(C2)CCCCCC3)[nH]1 ZINC001333583340 975868886 /nfs/dbraw/zinc/86/88/86/975868886.db2.gz RMZGOIQUKXZQSJ-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO c1nnc(C[N@H+]2CCCC3(C2)CCCCCC3)[nH]1 ZINC001333583340 975868889 /nfs/dbraw/zinc/86/88/89/975868889.db2.gz RMZGOIQUKXZQSJ-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO Cc1cc(OC2C[NH+](C)C2)ccc1C(C)C ZINC001228199904 975991015 /nfs/dbraw/zinc/99/10/15/975991015.db2.gz WYEOWPXQOXKVLZ-UHFFFAOYSA-N 1 2 219.328 2.811 20 0 BFADLO COc1ccc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001173958297 976002883 /nfs/dbraw/zinc/00/28/83/976002883.db2.gz DBOZDEAXJBWLEL-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COC(=O)c1cccc(Nc2cc(C)cc[nH+]2)c1 ZINC001173961776 976008197 /nfs/dbraw/zinc/00/81/97/976008197.db2.gz CDJWXJCKPOFFCI-UHFFFAOYSA-N 1 2 242.278 2.920 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCCC[C@H](C)C2)c1C ZINC001333706361 976010622 /nfs/dbraw/zinc/01/06/22/976010622.db2.gz ZMQIYHQIBVELTP-JTQLQIEISA-N 1 2 221.348 2.649 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCCC[C@H](C)C2)c1C ZINC001333706361 976010637 /nfs/dbraw/zinc/01/06/37/976010637.db2.gz ZMQIYHQIBVELTP-JTQLQIEISA-N 1 2 221.348 2.649 20 0 BFADLO COC(=O)c1cccc(Nc2[nH+]cccc2C)c1 ZINC001173962261 976011110 /nfs/dbraw/zinc/01/11/10/976011110.db2.gz SRQKUFCPGHVYOX-UHFFFAOYSA-N 1 2 242.278 2.920 20 0 BFADLO CC[C@@H](COC)Oc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228327482 976120695 /nfs/dbraw/zinc/12/06/95/976120695.db2.gz RAWSUPAOAXHSBV-JTQLQIEISA-N 1 2 234.299 2.675 20 0 BFADLO Cc1ccncc1Nc1cccc2[nH+]ccn21 ZINC001174115275 976328074 /nfs/dbraw/zinc/32/80/74/976328074.db2.gz JGYRTMSWRRQTNX-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO COc1cncc(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001174089249 976359179 /nfs/dbraw/zinc/35/91/79/976359179.db2.gz OSGXANYLRXZKDG-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cncc(Nc2[nH+]c(C)ccc2C)c1 ZINC001174089465 976360635 /nfs/dbraw/zinc/36/06/35/976360635.db2.gz YEIKXIXYJNHTSJ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1ccc(Nc2cccc3[nH+]ccn32)cn1 ZINC001174280491 976435141 /nfs/dbraw/zinc/43/51/41/976435141.db2.gz FVENXMRVVGLIDM-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CC[NH+]1CC(Oc2nc(C)cc3ccccc32)C1 ZINC001228734621 976469595 /nfs/dbraw/zinc/46/95/95/976469595.db2.gz KHRXXIMRXQNULQ-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO Cc1ccc[nH+]c1Nc1cnc2[nH]ccc2c1 ZINC001174394620 976587342 /nfs/dbraw/zinc/58/73/42/976587342.db2.gz POCYZJOWKLEHBT-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cnn(C)c1C ZINC001174389663 976650031 /nfs/dbraw/zinc/65/00/31/976650031.db2.gz LCOUZUQRNLFDOG-UHFFFAOYSA-N 1 2 230.315 2.738 20 0 BFADLO Nc1cccn1-c1ccc([NH+]2CCCC2)cc1 ZINC001174527076 976805872 /nfs/dbraw/zinc/80/58/72/976805872.db2.gz NAHDVUXWPHYNGC-UHFFFAOYSA-N 1 2 227.311 2.660 20 0 BFADLO CCc1cc(NC[C@H](C)SC)nc(CC)[nH+]1 ZINC001334964509 976808103 /nfs/dbraw/zinc/80/81/03/976808103.db2.gz IGYPEVITRPCIKP-VIFPVBQESA-N 1 2 239.388 2.765 20 0 BFADLO Cn1ccc2ccc(Nc3[nH+]cccc3N)cc21 ZINC001174515182 976838502 /nfs/dbraw/zinc/83/85/02/976838502.db2.gz QQLPCJDVXQBUJK-UHFFFAOYSA-N 1 2 238.294 2.899 20 0 BFADLO c1nocc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523301 976842400 /nfs/dbraw/zinc/84/24/00/976842400.db2.gz LHAHMLDYDDUQAL-UHFFFAOYSA-N 1 2 244.298 2.804 20 0 BFADLO CC(C)=CNc1cccc2[nH+]c(C)cn21 ZINC001174556106 976861548 /nfs/dbraw/zinc/86/15/48/976861548.db2.gz BQHHHZNULWAUJF-UHFFFAOYSA-N 1 2 201.273 2.978 20 0 BFADLO CCn1cc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001174566712 976882336 /nfs/dbraw/zinc/88/23/36/976882336.db2.gz YJIGRLQNRNANHV-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCCCc1ccc(O)cc1OC1C[NH+](CC)C1 ZINC001229571846 976898048 /nfs/dbraw/zinc/89/80/48/976898048.db2.gz BLVUXRPNVSFAAG-UHFFFAOYSA-N 1 2 249.354 2.818 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(O)c(F)c1 ZINC001174732553 976974202 /nfs/dbraw/zinc/97/42/02/976974202.db2.gz DFOLEFQXHZTDJC-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Cc1ccc(Nc2ccc(O)c(F)c2)[nH+]c1 ZINC001174733673 976976747 /nfs/dbraw/zinc/97/67/47/976976747.db2.gz VKOROOGHKDOFHH-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO CC[C@@H](COC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954879 977039403 /nfs/dbraw/zinc/03/94/03/977039403.db2.gz VGXVVQIVHCMQGC-ZDUSSCGKSA-N 1 2 246.310 2.676 20 0 BFADLO CCOC[C@H](C)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954126 977039689 /nfs/dbraw/zinc/03/96/89/977039689.db2.gz JLZZZTVXZQHFON-LBPRGKRZSA-N 1 2 246.310 2.676 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cncc(C)c1 ZINC001174755122 977056281 /nfs/dbraw/zinc/05/62/81/977056281.db2.gz VPUCRNYRWKCGRB-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2occc2C)o1 ZINC001335534446 977125755 /nfs/dbraw/zinc/12/57/55/977125755.db2.gz VVZVICKYCLMXRB-UHFFFAOYSA-N 1 2 235.283 2.870 20 0 BFADLO Cc1ccc(O)c(Nc2cccc(N(C)C)c2)[nH+]1 ZINC001174961936 977188449 /nfs/dbraw/zinc/18/84/49/977188449.db2.gz GVBAYXMJWGHQBO-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO c1nscc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175347330 977365125 /nfs/dbraw/zinc/36/51/25/977365125.db2.gz JIVKJWYBGLOCGB-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)sn1 ZINC001175342033 977365368 /nfs/dbraw/zinc/36/53/68/977365368.db2.gz ZBDCQROCWVBJMX-UHFFFAOYSA-N 1 2 234.328 2.656 20 0 BFADLO CC[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920664 977382776 /nfs/dbraw/zinc/38/27/76/977382776.db2.gz PWBLPHGYZGJAGA-SECBINFHSA-N 1 2 219.284 2.545 20 0 BFADLO Cc1ncc(Nc2ccc(N(C)C)[nH+]c2)s1 ZINC001175340534 977388655 /nfs/dbraw/zinc/38/86/55/977388655.db2.gz KDEOLKOIDSPVCC-UHFFFAOYSA-N 1 2 234.328 2.656 20 0 BFADLO Cc1ccc(Nc2cnc3n[nH]cc3c2)c(C)[nH+]1 ZINC001175400170 977411071 /nfs/dbraw/zinc/41/10/71/977411071.db2.gz AXKMSWYIIPGQCZ-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1cccc(F)c1OC1C[NH+](C(C)C)C1 ZINC001231034486 977437549 /nfs/dbraw/zinc/43/75/49/977437549.db2.gz MZIWUXNREZKFOT-UHFFFAOYSA-N 1 2 223.291 2.606 20 0 BFADLO Cc1cn2c(cccc2Nc2cncs2)[nH+]1 ZINC001175495862 977455175 /nfs/dbraw/zinc/45/51/75/977455175.db2.gz OVVUWRPNXSHHPG-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Cn1c[nH+]c2cc(Nc3cncs3)ccc21 ZINC001175498227 977463132 /nfs/dbraw/zinc/46/31/32/977463132.db2.gz OEWFXRPKHLQCIM-UHFFFAOYSA-N 1 2 230.296 2.773 20 0 BFADLO CC[C@H](COC)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082176 977473907 /nfs/dbraw/zinc/47/39/07/977473907.db2.gz SKTYLCOVLRWMHE-GFCCVEGCSA-N 1 2 246.310 2.881 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccc(CO)c1 ZINC001175509735 977481664 /nfs/dbraw/zinc/48/16/64/977481664.db2.gz DYJVIYIGKJZSCQ-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO Cc1cccc2nc(OC3C[NH+](C(C)C)C3)oc21 ZINC001231164960 977518031 /nfs/dbraw/zinc/51/80/31/977518031.db2.gz ZDDNGXJHKWLKNJ-UHFFFAOYSA-N 1 2 246.310 2.608 20 0 BFADLO CCOc1ncc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001175553001 977529406 /nfs/dbraw/zinc/52/94/06/977529406.db2.gz AYYIKOOJMQWHBE-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1ccc(Nc2ccc(CO)cc2)[nH+]c1 ZINC001175562423 977544736 /nfs/dbraw/zinc/54/47/36/977544736.db2.gz JCWZIHQXDPZBAS-UHFFFAOYSA-N 1 2 214.268 2.626 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(SC)nc1 ZINC001175653422 977603241 /nfs/dbraw/zinc/60/32/41/977603241.db2.gz BENQLFRLILCNLQ-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COc1cc[nH+]c(Nc2cccc3c[nH]nc32)c1 ZINC001175635029 977606421 /nfs/dbraw/zinc/60/64/21/977606421.db2.gz CVRUSLZAPMGCRF-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO CSc1ncc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001175644601 977616325 /nfs/dbraw/zinc/61/63/25/977616325.db2.gz WFEFERGWRTUKCF-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO CSc1ncc(Nc2cc(C)cc(C)[nH+]2)cn1 ZINC001175644572 977616440 /nfs/dbraw/zinc/61/64/40/977616440.db2.gz UVYZPTVWYVYLCB-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO COc1cc(F)ccc1C[NH+]1CC(C(F)F)C1 ZINC001231605826 977647923 /nfs/dbraw/zinc/64/79/23/977647923.db2.gz WZYBIRRIPLCVGF-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO CCCn1nc(C)cc1Nc1cc(OC)cc[nH+]1 ZINC001175799248 977698500 /nfs/dbraw/zinc/69/85/00/977698500.db2.gz NXUPXCKFUMAFGD-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231730470 977721905 /nfs/dbraw/zinc/72/19/05/977721905.db2.gz BHHCSSIWQQEQFX-MRVPVSSYSA-N 1 2 211.692 2.640 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ccc(Cl)c(O)c1 ZINC001231730470 977721914 /nfs/dbraw/zinc/72/19/14/977721914.db2.gz BHHCSSIWQQEQFX-MRVPVSSYSA-N 1 2 211.692 2.640 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)C[C@@H]2C)[nH+]1 ZINC001336532194 977751124 /nfs/dbraw/zinc/75/11/24/977751124.db2.gz OQCGNTURVFVMOG-WPRPVWTQSA-N 1 2 208.280 2.764 20 0 BFADLO Cc1cn2cccc(Nc3ccc(F)cn3)c2[nH+]1 ZINC001175847447 977766878 /nfs/dbraw/zinc/76/68/78/977766878.db2.gz PCHLVYCCXWSUMZ-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO COc1cc(Nc2ccc(F)cn2)[nH+]cc1C ZINC001175849658 977775973 /nfs/dbraw/zinc/77/59/73/977775973.db2.gz QHUIBMOAXOMKHP-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CCN(C)c1ccc(Nc2ccc(F)cn2)c[nH+]1 ZINC001175851129 977780511 /nfs/dbraw/zinc/78/05/11/977780511.db2.gz GYFLUMIXOOZIHH-UHFFFAOYSA-N 1 2 246.289 2.815 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001231979512 977824076 /nfs/dbraw/zinc/82/40/76/977824076.db2.gz DPQQHHRKVZWSDG-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001231979512 977824084 /nfs/dbraw/zinc/82/40/84/977824084.db2.gz DPQQHHRKVZWSDG-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC001336663786 977840124 /nfs/dbraw/zinc/84/01/24/977840124.db2.gz DVNKVHVCMCWCFB-JQWIXIFHSA-N 1 2 220.291 2.908 20 0 BFADLO COc1cc[nH+]c(Nc2cccc3c2OCC3)c1 ZINC001176076955 977871430 /nfs/dbraw/zinc/87/14/30/977871430.db2.gz POYVXPJDYMNABF-UHFFFAOYSA-N 1 2 242.278 2.769 20 0 BFADLO CC[N@H+](C)Cc1ncc(C)cc1Br ZINC001232172871 977904217 /nfs/dbraw/zinc/90/42/17/977904217.db2.gz HELJGYVTNGBLBR-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO CC[N@@H+](C)Cc1ncc(C)cc1Br ZINC001232172871 977904233 /nfs/dbraw/zinc/90/42/33/977904233.db2.gz HELJGYVTNGBLBR-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO C[NH+](C)Cc1c(F)cc(F)cc1Cl ZINC001232099063 977892104 /nfs/dbraw/zinc/89/21/04/977892104.db2.gz RLDTZXXMJNXSHQ-UHFFFAOYSA-N 1 2 205.635 2.680 20 0 BFADLO Cc1cc(Nc2nnc(C(C)(C)C)o2)cc(C)[nH+]1 ZINC001176051826 977896918 /nfs/dbraw/zinc/89/69/18/977896918.db2.gz KJMHMBWXILRVLM-UHFFFAOYSA-N 1 2 246.314 2.544 20 0 BFADLO CC[N@H+](Cc1c(Cl)nccc1OC)C1CC1 ZINC001232151237 977898049 /nfs/dbraw/zinc/89/80/49/977898049.db2.gz GSNLWFQPQODSPK-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CC[N@@H+](Cc1c(Cl)nccc1OC)C1CC1 ZINC001232151237 977898052 /nfs/dbraw/zinc/89/80/52/977898052.db2.gz GSNLWFQPQODSPK-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CCCc1cc[nH+]c(NC2=CCOCC2)c1 ZINC001176143750 977930588 /nfs/dbraw/zinc/93/05/88/977930588.db2.gz GQYJHDQKIXDZLB-UHFFFAOYSA-N 1 2 218.300 2.750 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)nn1C(C)C ZINC001176117214 977943504 /nfs/dbraw/zinc/94/35/04/977943504.db2.gz VVPWEPPCGMLSGH-UHFFFAOYSA-N 1 2 246.314 2.920 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2ocnc21 ZINC001176120532 977949842 /nfs/dbraw/zinc/94/98/42/977949842.db2.gz CFYBIZULWDUZFT-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(C)ccc1F ZINC001176119080 977951427 /nfs/dbraw/zinc/95/14/27/977951427.db2.gz NYHBMOJRMRTNTN-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1-n1ccc2cccc(N)c21 ZINC001176124799 977956302 /nfs/dbraw/zinc/95/63/02/977956302.db2.gz QPMRVGIDCJHPND-UHFFFAOYSA-N 1 2 239.278 2.616 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)c(N)cc1C ZINC001176123040 977956949 /nfs/dbraw/zinc/95/69/49/977956949.db2.gz HNFVMOJYPPGXDF-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COc1cc[nH+]cc1-n1ccc2cc(N)ccc21 ZINC001176121936 977958361 /nfs/dbraw/zinc/95/83/61/977958361.db2.gz SPRFQUCABITNJM-UHFFFAOYSA-N 1 2 239.278 2.616 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(N)ccc1C ZINC001176123942 977958546 /nfs/dbraw/zinc/95/85/46/977958546.db2.gz ZDGSJZJHHQHULU-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)ccc1O ZINC001176123913 977959175 /nfs/dbraw/zinc/95/91/75/977959175.db2.gz XFKBIOVNROJGFJ-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO C[N@H+](CCF)Cc1ccnc(C(F)(F)F)c1 ZINC001232241337 977971395 /nfs/dbraw/zinc/97/13/95/977971395.db2.gz ACCOYNNKLACNFP-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1ccnc(C(F)(F)F)c1 ZINC001232241337 977971427 /nfs/dbraw/zinc/97/14/27/977971427.db2.gz ACCOYNNKLACNFP-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO COc1cc(Nc2c(C)noc2C)cc(C)[nH+]1 ZINC001176178130 977978844 /nfs/dbraw/zinc/97/88/44/977978844.db2.gz UCLRGSYGPIRLRR-UHFFFAOYSA-N 1 2 233.271 2.747 20 0 BFADLO CC(C)(C)[C@@H]1CCN(c2cccc[nH+]2)CCO1 ZINC001336829025 977992862 /nfs/dbraw/zinc/99/28/62/977992862.db2.gz IZRQOJDYVBVEAT-LBPRGKRZSA-N 1 2 234.343 2.723 20 0 BFADLO COc1ccc(Nc2[nH+]cc(O)cc2C)cc1O ZINC001176254741 978018894 /nfs/dbraw/zinc/01/88/94/978018894.db2.gz SQPNINVKGQUXQM-UHFFFAOYSA-N 1 2 246.266 2.553 20 0 BFADLO Cc1cc(C)c(Nc2ccc3nonc3c2)c[nH+]1 ZINC001176320911 978038286 /nfs/dbraw/zinc/03/82/86/978038286.db2.gz ZWRRIZRSEYCMOR-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1cccc(C)c1OC(C)C ZINC001232388949 978043633 /nfs/dbraw/zinc/04/36/33/978043633.db2.gz COLGCJDOFWFARN-UHFFFAOYSA-N 1 2 249.354 2.803 20 0 BFADLO CC(=O)C[N@H+](C)Cc1cccc(C)c1OC(C)C ZINC001232388949 978043642 /nfs/dbraw/zinc/04/36/42/978043642.db2.gz COLGCJDOFWFARN-UHFFFAOYSA-N 1 2 249.354 2.803 20 0 BFADLO C(c1n[nH]c2c1CCC2)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001232425215 978061631 /nfs/dbraw/zinc/06/16/31/978061631.db2.gz VIQNAPKMOROJBY-VXGBXAGGSA-N 1 2 245.370 2.520 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cnc(C)nc2)cc1 ZINC001176401930 978073635 /nfs/dbraw/zinc/07/36/35/978073635.db2.gz XOBNYNZBRLOSBP-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cnc(C)nc2)cc1 ZINC001176401930 978073643 /nfs/dbraw/zinc/07/36/43/978073643.db2.gz XOBNYNZBRLOSBP-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO COc1cc[nH+]c(Nc2ccc(O)cc2F)c1 ZINC001176410599 978078819 /nfs/dbraw/zinc/07/88/19/978078819.db2.gz XBVSIZGFBCKOCE-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO CCc1ccc(N2CCSC[C@H]2C)[nH+]c1 ZINC001337042570 978140710 /nfs/dbraw/zinc/14/07/10/978140710.db2.gz MTFSRRNHWCXGSN-SNVBAGLBSA-N 1 2 222.357 2.586 20 0 BFADLO Fc1ccnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001232496116 978148161 /nfs/dbraw/zinc/14/81/61/978148161.db2.gz NSUTYDLKVRWNKY-MRVPVSSYSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1ccnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001232496116 978148166 /nfs/dbraw/zinc/14/81/66/978148166.db2.gz NSUTYDLKVRWNKY-MRVPVSSYSA-N 1 2 248.223 2.605 20 0 BFADLO COC1(C)CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001337098822 978164787 /nfs/dbraw/zinc/16/47/87/978164787.db2.gz CVCWVVJKRYKEJE-UHFFFAOYSA-N 1 2 238.306 2.534 20 0 BFADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)on1 ZINC001176744043 978168997 /nfs/dbraw/zinc/16/89/97/978168997.db2.gz VZDYGQVZSLQNOR-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO CCc1nn(C[N@H+](C)[C@@H](C)C(C)C)c(=S)o1 ZINC001337112030 978171984 /nfs/dbraw/zinc/17/19/84/978171984.db2.gz CUOGSFJNFGJFKU-VIFPVBQESA-N 1 2 243.376 2.702 20 0 BFADLO CCc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c(=S)o1 ZINC001337112030 978171988 /nfs/dbraw/zinc/17/19/88/978171988.db2.gz CUOGSFJNFGJFKU-VIFPVBQESA-N 1 2 243.376 2.702 20 0 BFADLO CC(C)[N@H+](C)Cc1c(Cl)ccnc1F ZINC001232611828 978195535 /nfs/dbraw/zinc/19/55/35/978195535.db2.gz BKLCFMZNYWFGIP-UHFFFAOYSA-N 1 2 216.687 2.714 20 0 BFADLO CC(C)[N@@H+](C)Cc1c(Cl)ccnc1F ZINC001232611828 978195538 /nfs/dbraw/zinc/19/55/38/978195538.db2.gz BKLCFMZNYWFGIP-UHFFFAOYSA-N 1 2 216.687 2.714 20 0 BFADLO CC(C)[C@@H](O)CC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001176896729 978254502 /nfs/dbraw/zinc/25/45/02/978254502.db2.gz HYQMAQVMBLMIIY-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@@H](O)CC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001176896729 978254510 /nfs/dbraw/zinc/25/45/10/978254510.db2.gz HYQMAQVMBLMIIY-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO Cc1c(C[N@@H+]2CCC[C@@H]2CF)ccnc1Cl ZINC001232754300 978263178 /nfs/dbraw/zinc/26/31/78/978263178.db2.gz FTDHNMRPAGTSJQ-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1c(C[N@H+]2CCC[C@@H]2CF)ccnc1Cl ZINC001232754300 978263186 /nfs/dbraw/zinc/26/31/86/978263186.db2.gz FTDHNMRPAGTSJQ-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO CC1(C)CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232972229 978374194 /nfs/dbraw/zinc/37/41/94/978374194.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232972229 978374206 /nfs/dbraw/zinc/37/42/06/978374206.db2.gz XGHXKBYXZYSHQE-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CCOC(=O)c1ccsc1C[N@@H+]1CC[C@@H]1C ZINC001233017329 978415800 /nfs/dbraw/zinc/41/58/00/978415800.db2.gz GLQYHRRBRCEPKA-VIFPVBQESA-N 1 2 239.340 2.519 20 0 BFADLO CCOC(=O)c1ccsc1C[N@H+]1CC[C@@H]1C ZINC001233017329 978415805 /nfs/dbraw/zinc/41/58/05/978415805.db2.gz GLQYHRRBRCEPKA-VIFPVBQESA-N 1 2 239.340 2.519 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCC1(C)C ZINC001337641443 978437235 /nfs/dbraw/zinc/43/72/35/978437235.db2.gz WWTLNUGJDJKGMR-GFCCVEGCSA-N 1 2 246.354 2.885 20 0 BFADLO Clc1sccc1C[NH+]1CC2(CSC2)C1 ZINC001233059059 978456294 /nfs/dbraw/zinc/45/62/94/978456294.db2.gz HSRHNAVVRXPOJB-UHFFFAOYSA-N 1 2 245.800 2.950 20 0 BFADLO CCc1ccc(N2CCC[C@H](COC)C2)[nH+]c1 ZINC001337772173 978487434 /nfs/dbraw/zinc/48/74/34/978487434.db2.gz OIGIHBIYYVANBD-ZDUSSCGKSA-N 1 2 234.343 2.507 20 0 BFADLO CCOC1C[NH+](Cc2cc3cccnc3s2)C1 ZINC001233345692 978565796 /nfs/dbraw/zinc/56/57/96/978565796.db2.gz CRZXEPCZTHDZGK-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO CC1(C)C[NH+](Cc2cnc3cccc(Cl)n23)C1 ZINC001233355542 978572144 /nfs/dbraw/zinc/57/21/44/978572144.db2.gz BEHVRYSQDGKMSJ-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO C/C=C(C)/C=C/C(=O)Nc1cccc2[nH+]ccn21 ZINC001178506764 978576912 /nfs/dbraw/zinc/57/69/12/978576912.db2.gz JUCJTHXINFAQOV-ZMSWCZRLSA-N 1 2 241.294 2.795 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1ccccn1 ZINC001337998240 978587126 /nfs/dbraw/zinc/58/71/26/978587126.db2.gz VJHOGHSOSZSYAW-NSHDSACASA-N 1 2 228.299 2.743 20 0 BFADLO F[C@@H]1C[N@H+](Cc2ccoc2)CCCC1(F)F ZINC001204242458 978694851 /nfs/dbraw/zinc/69/48/51/978694851.db2.gz UZRIVNIZQWKHTH-SNVBAGLBSA-N 1 2 233.233 2.849 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2ccoc2)CCCC1(F)F ZINC001204242458 978694858 /nfs/dbraw/zinc/69/48/58/978694858.db2.gz UZRIVNIZQWKHTH-SNVBAGLBSA-N 1 2 233.233 2.849 20 0 BFADLO COc1cccc2[nH]c(NCc3cc[nH]c3)[nH+]c21 ZINC001179493455 978712237 /nfs/dbraw/zinc/71/22/37/978712237.db2.gz ASESVZVFHJQUIX-UHFFFAOYSA-N 1 2 242.282 2.512 20 0 BFADLO c1sc(C2CC2)nc1C[NH2+]Cc1cccnc1 ZINC000069877578 978768746 /nfs/dbraw/zinc/76/87/46/978768746.db2.gz BKVOSCRSRMMEPM-UHFFFAOYSA-N 1 2 245.351 2.705 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102991 978794052 /nfs/dbraw/zinc/79/40/52/978794052.db2.gz MCNCJXOWFUHJRV-QWHCGFSZSA-N 1 2 246.354 2.885 20 0 BFADLO CC[NH+]1CC(Oc2cc(SC)ccc2C)C1 ZINC001234232962 978800184 /nfs/dbraw/zinc/80/01/84/978800184.db2.gz ARRPGVQUTCPHNF-UHFFFAOYSA-N 1 2 237.368 2.800 20 0 BFADLO CCN(C[C@@H]1CCCO1)c1cc(F)cc(C)[nH+]1 ZINC001339547284 978869686 /nfs/dbraw/zinc/86/96/86/978869686.db2.gz OIMRZDXHCAIHEV-LBPRGKRZSA-N 1 2 238.306 2.534 20 0 BFADLO Cc1cnc(C)c(Nc2ccc(C)[nH+]c2C)n1 ZINC001203362703 978879625 /nfs/dbraw/zinc/87/96/25/978879625.db2.gz DNDWZQLAJVBIPS-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CC[N@H+](Cc1ccccc1)Cc1ncc(F)cn1 ZINC001234998035 978945280 /nfs/dbraw/zinc/94/52/80/978945280.db2.gz DJOBDHXCINQBRB-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccccc1)Cc1ncc(F)cn1 ZINC001234998035 978945283 /nfs/dbraw/zinc/94/52/83/978945283.db2.gz DJOBDHXCINQBRB-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Fc1cnc(C[N@@H+]2CCC23CCCCC3)nc1 ZINC001235005838 978949753 /nfs/dbraw/zinc/94/97/53/978949753.db2.gz NIGYXYCTFMMUNJ-UHFFFAOYSA-N 1 2 235.306 2.524 20 0 BFADLO Fc1cnc(C[N@H+]2CCC23CCCCC3)nc1 ZINC001235005838 978949756 /nfs/dbraw/zinc/94/97/56/978949756.db2.gz NIGYXYCTFMMUNJ-UHFFFAOYSA-N 1 2 235.306 2.524 20 0 BFADLO Cc1ccc(Nc2nccnc2C)c(C)[nH+]1 ZINC001203367133 979100173 /nfs/dbraw/zinc/10/01/73/979100173.db2.gz HPNBDPBFTCJRAJ-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Fc1ccc2nc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)[nH]c2c1 ZINC001235696070 979123500 /nfs/dbraw/zinc/12/35/00/979123500.db2.gz ZLQXGJZEDSOBAX-GXSJLCMTSA-N 1 2 245.301 2.686 20 0 BFADLO Fc1ccc2nc(C[N@H+]3C[C@H]4CC[C@@H]3C4)[nH]c2c1 ZINC001235696070 979123503 /nfs/dbraw/zinc/12/35/03/979123503.db2.gz ZLQXGJZEDSOBAX-GXSJLCMTSA-N 1 2 245.301 2.686 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OC(F)(F)F)cc1 ZINC001235931022 979214826 /nfs/dbraw/zinc/21/48/26/979214826.db2.gz QGVLFQLDCWEPIR-UHFFFAOYSA-N 1 2 242.200 2.986 20 0 BFADLO CCSCCc1ccc(N2CCCC2)[nH+]c1 ZINC001250020909 979321217 /nfs/dbraw/zinc/32/12/17/979321217.db2.gz KCPIHGUQEAVPDC-UHFFFAOYSA-N 1 2 236.384 2.977 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccnc1OC(C)C ZINC001236104713 979394131 /nfs/dbraw/zinc/39/41/31/979394131.db2.gz ZXGCPAZMVQKPCW-QAGITQMBSA-N 1 2 218.300 2.745 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncccc2F)CCC1(F)F ZINC001182175087 979468215 /nfs/dbraw/zinc/46/82/15/979468215.db2.gz VCOBFRWXJISVLZ-VIFPVBQESA-N 1 2 244.260 2.698 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncccc2F)CCC1(F)F ZINC001182175087 979468220 /nfs/dbraw/zinc/46/82/20/979468220.db2.gz VCOBFRWXJISVLZ-VIFPVBQESA-N 1 2 244.260 2.698 20 0 BFADLO Cc1ccc(Nc2ncc(F)cc2N)c(C)[nH+]1 ZINC001203370665 979471634 /nfs/dbraw/zinc/47/16/34/979471634.db2.gz RZZXUAZPLBKBTC-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1cc(C)c(/C=C/C[NH+]2CC(C)(O)C2)c(C)c1 ZINC001182215609 979476243 /nfs/dbraw/zinc/47/62/43/979476243.db2.gz GHBVNPOJPWTGHO-AATRIKPKSA-N 1 2 245.366 2.692 20 0 BFADLO Cc1ccc2nc(C[NH+]3CC4(CCC4)C3)cn2c1 ZINC001182215732 979477011 /nfs/dbraw/zinc/47/70/11/979477011.db2.gz IFCYYXPGMCMPGE-UHFFFAOYSA-N 1 2 241.338 2.629 20 0 BFADLO CC(=O)Nc1ccc(-c2ccc(N)[nH+]c2)c(C)c1 ZINC001236313347 979521656 /nfs/dbraw/zinc/52/16/56/979521656.db2.gz LRUDBHLTKWFRKM-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Nc1ccc(-c2ccc(-c3ncco3)cc2)c[nH+]1 ZINC001236313250 979522053 /nfs/dbraw/zinc/52/20/53/979522053.db2.gz IZQMSFNZKBAPGC-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO C[Si](C)(C)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236313400 979522247 /nfs/dbraw/zinc/52/22/47/979522247.db2.gz NPKKILHBIMTDCD-UHFFFAOYSA-N 1 2 242.398 2.876 20 0 BFADLO Cc1cc(-c2ccc(N)[nH+]c2)cc(F)c1F ZINC001236313673 979523210 /nfs/dbraw/zinc/52/32/10/979523210.db2.gz VAFKXVIAYSUMFX-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)C=CC3)c[nH+]1 ZINC001236313796 979524929 /nfs/dbraw/zinc/52/49/29/979524929.db2.gz YOJCUAVRVIGAQB-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO CC(=O)Nc1ccc(-c2ccc(N)[nH+]c2)cc1C ZINC001236313681 979525582 /nfs/dbraw/zinc/52/55/82/979525582.db2.gz VQPJDOPNCQZRID-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)ccc(C)c1O ZINC001236403885 979580530 /nfs/dbraw/zinc/58/05/30/979580530.db2.gz MEIRYLSMQQOGBL-FCXRPNKRSA-N 1 2 207.248 2.715 20 0 BFADLO CC[C@H](CO)Nc1cc(C)c2ccccc2[nH+]1 ZINC000072112152 979595516 /nfs/dbraw/zinc/59/55/16/979595516.db2.gz GSVYIAKQFDFCBO-LLVKDONJSA-N 1 2 230.311 2.726 20 0 BFADLO COc1nc(C(C)C)ccc1-c1ccc[nH+]c1N ZINC001236444785 979598793 /nfs/dbraw/zinc/59/87/93/979598793.db2.gz SRVXMWGEEIYIFI-UHFFFAOYSA-N 1 2 243.310 2.858 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2occc2c1 ZINC001182834634 979654926 /nfs/dbraw/zinc/65/49/26/979654926.db2.gz JGOQYKGDAXHFSD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2occc2c1 ZINC001182834634 979654935 /nfs/dbraw/zinc/65/49/35/979654935.db2.gz JGOQYKGDAXHFSD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc2occc2c1 ZINC001182834634 979654942 /nfs/dbraw/zinc/65/49/42/979654942.db2.gz JGOQYKGDAXHFSD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc2occc2c1 ZINC001182834634 979654947 /nfs/dbraw/zinc/65/49/47/979654947.db2.gz JGOQYKGDAXHFSD-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO c1c[nH+]c(-c2ccc(C[C@H]3CCCO3)cc2)[nH]1 ZINC001250106260 979777529 /nfs/dbraw/zinc/77/75/29/979777529.db2.gz SNGSKXRANJAURV-CYBMUJFWSA-N 1 2 228.295 2.798 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@@H+]1CCC12COC2 ZINC001237111665 979817266 /nfs/dbraw/zinc/81/72/66/979817266.db2.gz YELGKMDCOTXXBP-UHFFFAOYSA-N 1 2 243.350 2.929 20 0 BFADLO c1cc(C2CCC2)ccc1C[N@H+]1CCC12COC2 ZINC001237111665 979817269 /nfs/dbraw/zinc/81/72/69/979817269.db2.gz YELGKMDCOTXXBP-UHFFFAOYSA-N 1 2 243.350 2.929 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001237317236 979862585 /nfs/dbraw/zinc/86/25/85/979862585.db2.gz JXCSFHIVOVPFOS-LBPRGKRZSA-N 1 2 249.329 2.853 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001237317236 979862591 /nfs/dbraw/zinc/86/25/91/979862591.db2.gz JXCSFHIVOVPFOS-LBPRGKRZSA-N 1 2 249.329 2.853 20 0 BFADLO COC1(C)C[NH+](Cc2c(C)cc(F)cc2C)C1 ZINC001237316034 979864162 /nfs/dbraw/zinc/86/41/62/979864162.db2.gz AXUZWIYBQCCATG-UHFFFAOYSA-N 1 2 237.318 2.663 20 0 BFADLO CC1(C)C[NH+](Cc2ccncc2C(F)(F)F)C1 ZINC001237286378 979864635 /nfs/dbraw/zinc/86/46/35/979864635.db2.gz ZVKQCYNCPBZJLJ-UHFFFAOYSA-N 1 2 244.260 2.942 20 0 BFADLO COc1c(C)cccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001237498981 979921014 /nfs/dbraw/zinc/92/10/14/979921014.db2.gz ALHODCUEVVZXNK-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1c(C)cccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001237498981 979921020 /nfs/dbraw/zinc/92/10/20/979921020.db2.gz ALHODCUEVVZXNK-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO Oc1c(C[NH+]2CCCC2)cc(Cl)nc1Cl ZINC001237524748 979933459 /nfs/dbraw/zinc/93/34/59/979933459.db2.gz HLXDHRVSIPAOAT-UHFFFAOYSA-N 1 2 247.125 2.690 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2ccccc2)n1 ZINC001237634883 979983538 /nfs/dbraw/zinc/98/35/38/979983538.db2.gz YDVWUUZXILHEPU-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2ccccc2)n1 ZINC001237634883 979983546 /nfs/dbraw/zinc/98/35/46/979983546.db2.gz YDVWUUZXILHEPU-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@H]2c2ccncc2)n1 ZINC001237646714 980000152 /nfs/dbraw/zinc/00/01/52/980000152.db2.gz UKRLAPNIXFVWBT-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@H]2c2ccncc2)n1 ZINC001237646714 980000160 /nfs/dbraw/zinc/00/01/60/980000160.db2.gz UKRLAPNIXFVWBT-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO CCc1n[nH]cc1C[N@H+](C)Cc1ccccc1F ZINC001237651283 980007360 /nfs/dbraw/zinc/00/73/60/980007360.db2.gz ONSPDAHSUAMOPT-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CCc1n[nH]cc1C[N@@H+](C)Cc1ccccc1F ZINC001237651283 980007368 /nfs/dbraw/zinc/00/73/68/980007368.db2.gz ONSPDAHSUAMOPT-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CCc1[nH]ncc1C[N@H+](C)Cc1ccccc1C ZINC001237655538 980019427 /nfs/dbraw/zinc/01/94/27/980019427.db2.gz WFQZLHWRGTYPIR-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1[nH]ncc1C[N@@H+](C)Cc1ccccc1C ZINC001237655538 980019433 /nfs/dbraw/zinc/01/94/33/980019433.db2.gz WFQZLHWRGTYPIR-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO Nc1ccc(-c2cccc(OC(F)F)c2)c[nH+]1 ZINC000722571029 980219067 /nfs/dbraw/zinc/21/90/67/980219067.db2.gz PAUCRXTYZLZRAI-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cncc(C2CC2)c1 ZINC001238194853 980222835 /nfs/dbraw/zinc/22/28/35/980222835.db2.gz UZTQVZGFLNAERO-HNNXBMFYSA-N 1 2 246.354 2.570 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cncc(C2CC2)c1 ZINC001238194853 980222841 /nfs/dbraw/zinc/22/28/41/980222841.db2.gz UZTQVZGFLNAERO-HNNXBMFYSA-N 1 2 246.354 2.570 20 0 BFADLO FC(F)C1C[NH+](Cc2cncc(C3CC3)c2)C1 ZINC001238197686 980225949 /nfs/dbraw/zinc/22/59/49/980225949.db2.gz XEENIICKZXDRMJ-UHFFFAOYSA-N 1 2 238.281 2.656 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C3CC3)c2)CCO1 ZINC001238499939 980281065 /nfs/dbraw/zinc/28/10/65/980281065.db2.gz XGVOUVGJMUCUEX-LLVKDONJSA-N 1 2 249.329 2.924 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCO1 ZINC001238499939 980281084 /nfs/dbraw/zinc/28/10/84/980281084.db2.gz XGVOUVGJMUCUEX-LLVKDONJSA-N 1 2 249.329 2.924 20 0 BFADLO Cc1c(Cl)ccc(C[NH+]2CCC2)c1F ZINC001238513240 980284694 /nfs/dbraw/zinc/28/46/94/980284694.db2.gz DAAYUECBOAKFEC-UHFFFAOYSA-N 1 2 213.683 2.993 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cnc1OCC(C)C ZINC001238923352 980369189 /nfs/dbraw/zinc/36/91/89/980369189.db2.gz ICGDGBCKJUUVEE-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2c(Cl)cnn2C)c1 ZINC001203656881 980490254 /nfs/dbraw/zinc/49/02/54/980490254.db2.gz BBBRPYQCIMWEOL-UHFFFAOYSA-N 1 2 236.706 2.829 20 0 BFADLO CCc1cc(Nc2cc(C)c[nH+]c2C)on1 ZINC001203656859 980491484 /nfs/dbraw/zinc/49/14/84/980491484.db2.gz AAYSILSVUJMKJQ-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO Cc1cc(NC2CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC001239472423 980603529 /nfs/dbraw/zinc/60/35/29/980603529.db2.gz SAPAFCIEVIQGJT-UHFFFAOYSA-N 1 2 243.285 2.587 20 0 BFADLO CCC(CC)CC(=O)OCc1c[nH+]cn1CC ZINC001345609728 980646257 /nfs/dbraw/zinc/64/62/57/980646257.db2.gz GYCBMEUDICAPMD-UHFFFAOYSA-N 1 2 238.331 2.773 20 0 BFADLO COc1ccccc1-c1cc[nH+]c2c1CCN2 ZINC001239542684 980721274 /nfs/dbraw/zinc/72/12/74/980721274.db2.gz FERZFQAHSAYOKK-UHFFFAOYSA-N 1 2 226.279 2.725 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)cc1C ZINC001250316549 980748520 /nfs/dbraw/zinc/74/85/20/980748520.db2.gz MHKFRQXZQBTVFW-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO Cc1c(F)c(F)ccc1CCn1cc[nH+]c1 ZINC001250318895 980759671 /nfs/dbraw/zinc/75/96/71/980759671.db2.gz LDKOSHOFSRTUKV-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO COc1ccc(C)c(F)c1CCn1cc[nH+]c1 ZINC001250321091 980760427 /nfs/dbraw/zinc/76/04/27/980760427.db2.gz VYJAEVORDILRHW-UHFFFAOYSA-N 1 2 234.274 2.582 20 0 BFADLO CSc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250321092 980761343 /nfs/dbraw/zinc/76/13/43/980761343.db2.gz WBCHXUORTAPJJS-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO CNc1cc(-c2ccc(OC)c(OC)c2)cc[nH+]1 ZINC001239617387 980812231 /nfs/dbraw/zinc/81/22/31/980812231.db2.gz LLEIEGGLZWMHKS-UHFFFAOYSA-N 1 2 244.294 2.808 20 0 BFADLO COc1cc(OC)c(/C(C)=C/C=C/[NH3+])c(OC)c1 ZINC001239649273 980827287 /nfs/dbraw/zinc/82/72/87/980827287.db2.gz RXHKVFZCQXRQOT-YLNKAEQOSA-N 1 2 249.310 2.588 20 0 BFADLO Nc1cn2ccc(-c3ccc(F)cc3F)cc2[nH+]1 ZINC001239677226 980837423 /nfs/dbraw/zinc/83/74/23/980837423.db2.gz IXEIQOFSGZRDHR-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO COC(C)(C)Cc1ccc[nH+]c1N1CCCC1 ZINC001250352864 980843866 /nfs/dbraw/zinc/84/38/66/980843866.db2.gz VWBZGKFHYNVJDD-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO CCc1cn([C@@H](C)C(=O)C(C)(C)C)c[nH+]1 ZINC001190103088 980845409 /nfs/dbraw/zinc/84/54/09/980845409.db2.gz GRVCMCPWDPJYKD-VIFPVBQESA-N 1 2 208.305 2.622 20 0 BFADLO CCc1cn(C[C@H]2CCC3(CCC3)O2)c[nH+]1 ZINC001190103444 980846080 /nfs/dbraw/zinc/84/60/80/980846080.db2.gz LQIAIFBOAHIENT-GFCCVEGCSA-N 1 2 220.316 2.547 20 0 BFADLO Cc1[nH+]cn(-c2ccc(-c3ccoc3)nn2)c1C ZINC001239689688 980846666 /nfs/dbraw/zinc/84/66/66/980846666.db2.gz RALMJZNSLYUPQI-UHFFFAOYSA-N 1 2 240.266 2.539 20 0 BFADLO CCc1cn(Cc2cc(-c3ccco3)on2)c[nH+]1 ZINC001190104957 980848116 /nfs/dbraw/zinc/84/81/16/980848116.db2.gz WGPYBRVCLIYIKG-UHFFFAOYSA-N 1 2 243.266 2.742 20 0 BFADLO CNc1cc(-c2ccc(NC(C)=O)cc2)cc[nH+]1 ZINC001239755557 980899283 /nfs/dbraw/zinc/89/92/83/980899283.db2.gz FJQQSMVPJZAQBZ-UHFFFAOYSA-N 1 2 241.294 2.749 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc2ccccc21 ZINC001239850659 980974860 /nfs/dbraw/zinc/97/48/60/980974860.db2.gz WIIPHJZLEXUZIH-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO CCCC1CCC([N@H+](C)Cc2nnc[nH]2)CC1 ZINC001347114596 980975703 /nfs/dbraw/zinc/97/57/03/980975703.db2.gz UKAPPYOCHBFQHB-UHFFFAOYSA-N 1 2 236.363 2.595 20 0 BFADLO CCCC1CCC([N@@H+](C)Cc2nnc[nH]2)CC1 ZINC001347114596 980975708 /nfs/dbraw/zinc/97/57/08/980975708.db2.gz UKAPPYOCHBFQHB-UHFFFAOYSA-N 1 2 236.363 2.595 20 0 BFADLO COc1ncccc1-c1cc2[nH]ccc2c[nH+]1 ZINC001239854667 980994976 /nfs/dbraw/zinc/99/49/76/980994976.db2.gz QIVLWQYDBYHHOD-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO CCc1[nH]c2cc(Cl)c(OC)cc2[nH+]1 ZINC001250425388 981048476 /nfs/dbraw/zinc/04/84/76/981048476.db2.gz FEHFJDGGLRFZSJ-UHFFFAOYSA-N 1 2 210.664 2.787 20 0 BFADLO COCc1ccccc1/C(C)=C/C=C/[NH3+] ZINC001239952780 981058920 /nfs/dbraw/zinc/05/89/20/981058920.db2.gz SVGPMINIDLYIJQ-MPEOSAONSA-N 1 2 203.285 2.709 20 0 BFADLO Cc1cc(F)cc2[nH+]c([C@H]3CCOC3)[nH]c21 ZINC001250432383 981079499 /nfs/dbraw/zinc/07/94/99/981079499.db2.gz PKFWLQHKAHMBHT-QMMMGPOBSA-N 1 2 220.247 2.514 20 0 BFADLO COc1cc(F)ccc1-c1c[nH+]c(N)c(C)c1 ZINC001239999183 981091778 /nfs/dbraw/zinc/09/17/78/981091778.db2.gz YPKQSWUDCPZCEA-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnn(Cc2ccccc2)c1 ZINC001240003205 981093895 /nfs/dbraw/zinc/09/38/95/981093895.db2.gz VJNYJYJHESLHKN-PMHYKQBESA-N 1 2 239.322 2.807 20 0 BFADLO Cc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001250455523 981130712 /nfs/dbraw/zinc/13/07/12/981130712.db2.gz MAVWLJHNKOEMFA-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1cn2cccc(-c3ccc4n[nH]cc4c3)c2[nH+]1 ZINC001240208712 981155123 /nfs/dbraw/zinc/15/51/23/981155123.db2.gz CPAARHLRKDQQKQ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCc1cc(-c2ccc3[nH+]ccn3c2)nc(C)n1 ZINC001240213485 981161644 /nfs/dbraw/zinc/16/16/44/981161644.db2.gz FXBWLEFABRZWQR-UHFFFAOYSA-N 1 2 238.294 2.662 20 0 BFADLO Cc1cc2ncnc(-c3ccc4[nH+]ccn4c3)c2[nH]1 ZINC001240213299 981162045 /nfs/dbraw/zinc/16/20/45/981162045.db2.gz BEMCLNOBDZWMDZ-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cn2cc(-c3nccc4ncccc43)ccc2[nH+]1 ZINC001240214255 981162149 /nfs/dbraw/zinc/16/21/49/981162149.db2.gz NAKYYQXVAQJPMQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240215502 981164296 /nfs/dbraw/zinc/16/42/96/981164296.db2.gz SWTVBSKUNQMJOD-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO c1cc2nc(-c3ccc4[nH+]ccn4c3)ccc2[nH]1 ZINC001240215248 981164585 /nfs/dbraw/zinc/16/45/85/981164585.db2.gz WDHMKMANMBWORJ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2cc(-c3ccc4c(n3)CCC4)ccc2[nH+]1 ZINC001240215251 981164775 /nfs/dbraw/zinc/16/47/75/981164775.db2.gz WESBSNRPTNSBRL-UHFFFAOYSA-N 1 2 235.290 2.885 20 0 BFADLO c1cn2cc(-c3cc4ccccc4nn3)ccc2[nH+]1 ZINC001240215387 981164848 /nfs/dbraw/zinc/16/48/48/981164848.db2.gz VJKWGGHNYJSYGS-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1nc(C)c(-c2ccc3[nH+]ccn3c2)nc1C ZINC001240217110 981165950 /nfs/dbraw/zinc/16/59/50/981165950.db2.gz BPNNOHMKZQGCLY-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO Cn1cnc2ccc(-c3ccc4[nH+]ccn4c3)cc21 ZINC001240217997 981166679 /nfs/dbraw/zinc/16/66/79/981166679.db2.gz VKPTWOIHKFNFKA-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCCc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240217014 981166688 /nfs/dbraw/zinc/16/66/88/981166688.db2.gz XDVOWVWHYPJHKM-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Cc1nc(C)c(C)c(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217078 981166770 /nfs/dbraw/zinc/16/67/70/981166770.db2.gz AGOKUIXDGFMUHY-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)c(N)c1 ZINC001240219039 981168948 /nfs/dbraw/zinc/16/89/48/981168948.db2.gz WAYWHDBUICKVPD-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1nc2[nH]ccc2nc1-c1ccc2[nH+]ccn2c1 ZINC001240218584 981169021 /nfs/dbraw/zinc/16/90/21/981169021.db2.gz SIDRJKNFZAKCRO-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO CSc1ncc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219834 981169790 /nfs/dbraw/zinc/16/97/90/981169790.db2.gz WIFHAMQHRJDVMY-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO c1cn2cc(-c3cncnc3C3CC3)ccc2[nH+]1 ZINC001240218402 981171175 /nfs/dbraw/zinc/17/11/75/981171175.db2.gz MNUMYTJYLNSKNU-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240223061 981177994 /nfs/dbraw/zinc/17/79/94/981177994.db2.gz OWCOLDDYXBLHLV-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1cn2c(cccc2-c2cncc(F)c2)[nH+]1 ZINC001240235084 981194998 /nfs/dbraw/zinc/19/49/98/981194998.db2.gz GGQJWBVSGNGEAW-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001347883378 981207745 /nfs/dbraw/zinc/20/77/45/981207745.db2.gz QKGXXSWVBBPYRY-QWHCGFSZSA-N 1 2 249.358 2.695 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1CC2(CCC2)C1 ZINC001347982002 981234211 /nfs/dbraw/zinc/23/42/11/981234211.db2.gz DKNPKCDMYYMNJJ-UHFFFAOYSA-N 1 2 248.326 2.527 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C(F)(F)F)nc1 ZINC001240267296 981235041 /nfs/dbraw/zinc/23/50/41/981235041.db2.gz CCKQCGKRBOGHHR-UHFFFAOYSA-N 1 2 227.189 2.501 20 0 BFADLO Cn1ncc2ccc(-c3ccn4cc[nH+]c4c3)cc21 ZINC001240307019 981275239 /nfs/dbraw/zinc/27/52/39/981275239.db2.gz KOVTZWAADMIPMY-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1ccc(-c2ccc3ncn(C)c3c2)[nH+]c1N ZINC001240317985 981290935 /nfs/dbraw/zinc/29/09/35/981290935.db2.gz AYGZBKUUNOOQJK-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@](C)(F)C2)[nH+]1 ZINC001348195574 981306837 /nfs/dbraw/zinc/30/68/37/981306837.db2.gz NIZUNWICJPVZFJ-LBPRGKRZSA-N 1 2 226.270 2.858 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2cncnc2)cc1 ZINC001240377229 981327844 /nfs/dbraw/zinc/32/78/44/981327844.db2.gz VHDFSJFSKJFTKH-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(C(C)(C)O)c1 ZINC001240407223 981360013 /nfs/dbraw/zinc/36/00/13/981360013.db2.gz JKDSQWGRYZNMOF-MPEOSAONSA-N 1 2 217.312 2.790 20 0 BFADLO c1cc2ccc(-c3ccn4cc[nH+]c4c3)nc2[nH]1 ZINC001240495868 981415603 /nfs/dbraw/zinc/41/56/03/981415603.db2.gz AHRKSLOLXYPIAD-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)ncc1F ZINC001240497713 981417084 /nfs/dbraw/zinc/41/70/84/981417084.db2.gz WYSQEKXKKLHZLM-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496669 981417149 /nfs/dbraw/zinc/41/71/49/981417149.db2.gz PJYDYCYTHKSOHS-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO COCc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240497025 981418715 /nfs/dbraw/zinc/41/87/15/981418715.db2.gz WCECIJWGKJPLSC-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO Fc1ccnc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240496492 981419096 /nfs/dbraw/zinc/41/90/96/981419096.db2.gz MQCBQPNPMGGIHW-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO S=c1ccc(-c2ccn3cc[nH+]c3c2)c[nH]1 ZINC001240508571 981430472 /nfs/dbraw/zinc/43/04/72/981430472.db2.gz CVTCKBGMLRTCBR-UHFFFAOYSA-N 1 2 227.292 2.685 20 0 BFADLO Cc1nc(C)c(C)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240504635 981430721 /nfs/dbraw/zinc/43/07/21/981430721.db2.gz UDNFINSDEDMDJX-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO Cc1cnc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240503386 981430812 /nfs/dbraw/zinc/43/08/12/981430812.db2.gz NULJXJIJABIOQJ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1ncc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240508596 981432889 /nfs/dbraw/zinc/43/28/89/981432889.db2.gz DZDNTGVVQQUFJK-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)c(F)cn1 ZINC001240510119 981433913 /nfs/dbraw/zinc/43/39/13/981433913.db2.gz BWTPYMIIUOPIRY-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)cnc1F ZINC001240511254 981436280 /nfs/dbraw/zinc/43/62/80/981436280.db2.gz BPRIWIYDLFVUSU-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Fc1cc(F)nc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510936 981437423 /nfs/dbraw/zinc/43/74/23/981437423.db2.gz VUKFYNOIXANWHS-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO CCc1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001240512274 981437984 /nfs/dbraw/zinc/43/79/84/981437984.db2.gz SSBZHJOSABZWRK-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cn1ccc2ccc(-c3cc[nH+]c(N)c3)cc21 ZINC001240574579 981486476 /nfs/dbraw/zinc/48/64/76/981486476.db2.gz RYSXZVYLRBNSNO-UHFFFAOYSA-N 1 2 223.279 2.823 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC[C@H](F)C1 ZINC001331531091 981486630 /nfs/dbraw/zinc/48/66/30/981486630.db2.gz FQOWXWGZAHUQMA-VHSXEESVSA-N 1 2 224.279 2.783 20 0 BFADLO CC(C)=Cc1nc(NC2CC2)cc(C)[nH+]1 ZINC001240632370 981523495 /nfs/dbraw/zinc/52/34/95/981523495.db2.gz FYUGWZYKKRCFPQ-UHFFFAOYSA-N 1 2 203.289 2.783 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cnn(CC)c2)cc1 ZINC001240651266 981560338 /nfs/dbraw/zinc/56/03/38/981560338.db2.gz ATDAKRRZAUMFRV-UHFFFAOYSA-N 1 2 243.310 2.932 20 0 BFADLO CCC[C@@H](C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001349791756 981743277 /nfs/dbraw/zinc/74/32/77/981743277.db2.gz OFMLZGWEWCDAQT-SNVBAGLBSA-N 1 2 234.343 2.885 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1c(C)c[nH+]cc1C ZINC001349791513 981745394 /nfs/dbraw/zinc/74/53/94/981745394.db2.gz JEDWMVJSOVAJJZ-GFCCVEGCSA-N 1 2 234.343 2.885 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1cccnc1C ZINC001240731195 981791303 /nfs/dbraw/zinc/79/13/03/981791303.db2.gz IHPZILHWUZYWBQ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO C[NH+](C)Cc1nnc(C2=CCC(C)(C)CC2)o1 ZINC001349987502 981838288 /nfs/dbraw/zinc/83/82/88/981838288.db2.gz ZTJMAIHHHDOURB-UHFFFAOYSA-N 1 2 235.331 2.725 20 0 BFADLO Nc1cc(-c2ccc3cc[nH]c3c2)cc[nH+]1 ZINC001240798313 981842828 /nfs/dbraw/zinc/84/28/28/981842828.db2.gz WNNOFXBNOSUKAV-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO Nc1ccc(-c2ccc3cc[nH]c3c2)c[nH+]1 ZINC001240799641 981844918 /nfs/dbraw/zinc/84/49/18/981844918.db2.gz XNJDZLINFDJJJK-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO Sc1ccccc1C=C1CC[NH2+]CC1 ZINC001240876410 981925846 /nfs/dbraw/zinc/92/58/46/981925846.db2.gz ZTMRAMQIAYBVKH-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@H]1CC12CCCC2 ZINC001350335210 981931103 /nfs/dbraw/zinc/93/11/03/981931103.db2.gz TVDQLZDYAYMUFN-GFCCVEGCSA-N 1 2 248.326 2.527 20 0 BFADLO Cc1ccc(-c2nc3c(ccn3C)c[nH+]2)cc1N ZINC001240960215 982028834 /nfs/dbraw/zinc/02/88/34/982028834.db2.gz IKZNDSVNWGFRMB-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO COCOc1ccc2[nH]c([C@@H]3C[C@@H]3C)[nH+]c2c1 ZINC001250615702 982047030 /nfs/dbraw/zinc/04/70/30/982047030.db2.gz QRVKGBQMVIZAER-WCBMZHEXSA-N 1 2 232.283 2.669 20 0 BFADLO CC[C@H](C)OC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001195069967 982050158 /nfs/dbraw/zinc/05/01/58/982050158.db2.gz HCVHEONJURKNBD-JTQLQIEISA-N 1 2 247.298 2.990 20 0 BFADLO Cn1c[nH+]cc1-c1cc(F)c(F)c(F)c1 ZINC001240980534 982060942 /nfs/dbraw/zinc/06/09/42/982060942.db2.gz IIDKBSHTNRTPSA-UHFFFAOYSA-N 1 2 212.174 2.504 20 0 BFADLO CC[C@@H](C)OC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001195090514 982079321 /nfs/dbraw/zinc/07/93/21/982079321.db2.gz CYTZUSMDPVYXFJ-SECBINFHSA-N 1 2 233.271 2.681 20 0 BFADLO Oc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001241008822 982100357 /nfs/dbraw/zinc/10/03/57/982100357.db2.gz NJBNXTYNGITJAE-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO CCOc1ccc(-c2ccc[nH+]c2N)cc1F ZINC001241086409 982199707 /nfs/dbraw/zinc/19/97/07/982199707.db2.gz SSMIMEXTOPNLLQ-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO O=c1[nH]cccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001241112089 982219150 /nfs/dbraw/zinc/21/91/50/982219150.db2.gz DZFFFIZGTIIQBR-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)c(F)cc1F ZINC001241110152 982219939 /nfs/dbraw/zinc/21/99/39/982219939.db2.gz QXJVGCQNHZRIDS-JKEDICHKSA-N 1 2 213.202 2.980 20 0 BFADLO Cc1cc(-c2c(F)cc(O)cc2F)c[nH+]c1N ZINC001241122598 982251869 /nfs/dbraw/zinc/25/18/69/982251869.db2.gz HCWMAUWMVBZYKF-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO Nc1cc(-c2cccc3ncsc32)cc[nH+]1 ZINC001241171233 982321615 /nfs/dbraw/zinc/32/16/15/982321615.db2.gz ZTQKUIJOOPCVBQ-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO CC(=O)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241204927 982354393 /nfs/dbraw/zinc/35/43/93/982354393.db2.gz QTGLLNPUHXNCKL-UHFFFAOYSA-N 1 2 212.252 2.533 20 0 BFADLO Fc1cnccc1-c1cccc2[nH+]ccn21 ZINC001241226183 982370151 /nfs/dbraw/zinc/37/01/51/982370151.db2.gz PMBNNXXWXUCQSP-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(N)ccc1F ZINC001241251424 982391492 /nfs/dbraw/zinc/39/14/92/982391492.db2.gz VSZXPYPUEIEDBF-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cnc2n[nH]cc2c1 ZINC001241425421 982578296 /nfs/dbraw/zinc/57/82/96/982578296.db2.gz SEEJPSMPCAFSSY-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cn1cc2cccc(-c3ccc4[nH+]ccn4c3)c2n1 ZINC001241468678 982623343 /nfs/dbraw/zinc/62/33/43/982623343.db2.gz GJBQMWZTMCFNMQ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1cc2cccc(-c3cccc4[nH+]ccn43)c2n1 ZINC001241470075 982623413 /nfs/dbraw/zinc/62/34/13/982623413.db2.gz WGLUILHUGRPMOW-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO c1cn2c(cccc2-c2ccc3nccnc3c2)[nH+]1 ZINC001241493510 982641819 /nfs/dbraw/zinc/64/18/19/982641819.db2.gz DWJWXOHZYMRUMW-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cc2c(cc[nH+]c2-c2cncs2)[nH]1 ZINC001241494733 982645051 /nfs/dbraw/zinc/64/50/51/982645051.db2.gz HXSSFFBRQRNPSC-UHFFFAOYSA-N 1 2 201.254 2.686 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cncs1 ZINC001241498217 982655742 /nfs/dbraw/zinc/65/57/42/982655742.db2.gz KMTMWKALXHMZPX-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Cc1ccc(CCC[N@@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC001198354968 982699864 /nfs/dbraw/zinc/69/98/64/982699864.db2.gz VWGVKDBARZEEDF-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CCC[N@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC001198354968 982699881 /nfs/dbraw/zinc/69/98/81/982699881.db2.gz VWGVKDBARZEEDF-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Nc1ccc(-c2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001241542288 982735730 /nfs/dbraw/zinc/73/57/30/982735730.db2.gz VFWFOVBBKJJXJM-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(N)cc1 ZINC001241543195 982744212 /nfs/dbraw/zinc/74/42/12/982744212.db2.gz PYLCLYOLKFUGJY-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Cc1cn2c(cccc2-c2ccc(CO)cc2)[nH+]1 ZINC001241557816 982779614 /nfs/dbraw/zinc/77/96/14/982779614.db2.gz TXYUOIRAMNKQKZ-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CC(C)(C)/C=C/c1ccn2cc(N)[nH+]c2c1 ZINC001241563201 982796923 /nfs/dbraw/zinc/79/69/23/982796923.db2.gz BQSWHYLVZVPREA-GQCTYLIASA-N 1 2 215.300 2.976 20 0 BFADLO CNc1cc(-c2cccc3nn(C)cc32)cc[nH+]1 ZINC001241583831 982830922 /nfs/dbraw/zinc/83/09/22/982830922.db2.gz NAKVZQWXXDLYAR-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cc1cc(-c2cccc3c[nH]nc32)c[nH+]c1N ZINC001241623808 982860009 /nfs/dbraw/zinc/86/00/09/982860009.db2.gz OVNAIJBWHQUQRA-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCc1ccc2c(c1)C[N@@H+](Cc1c[nH]cn1)CC2 ZINC001198853254 982860375 /nfs/dbraw/zinc/86/03/75/982860375.db2.gz VUVXXKFKQPPXGX-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc2c(c1)C[N@H+](Cc1c[nH]cn1)CC2 ZINC001198853254 982860377 /nfs/dbraw/zinc/86/03/77/982860377.db2.gz VUVXXKFKQPPXGX-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc2c(c1)C[N@@H+](Cc1cc[nH]n1)CC2 ZINC001198850828 982861550 /nfs/dbraw/zinc/86/15/50/982861550.db2.gz DZHGWUJEVYIRFQ-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc2c(c1)C[N@H+](Cc1cc[nH]n1)CC2 ZINC001198850828 982861552 /nfs/dbraw/zinc/86/15/52/982861552.db2.gz DZHGWUJEVYIRFQ-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO c1[nH]nc2c1cccc2-c1cc[nH+]c2c1CCN2 ZINC001241626871 982863540 /nfs/dbraw/zinc/86/35/40/982863540.db2.gz WPOICCKLSRJLDJ-UHFFFAOYSA-N 1 2 236.278 2.593 20 0 BFADLO Cc1n[nH]c2cc(-c3nc4[nH]ccc4c[nH+]3)ccc12 ZINC001241636817 982875765 /nfs/dbraw/zinc/87/57/65/982875765.db2.gz GLUMBHYDUYGJPA-UHFFFAOYSA-N 1 2 249.277 2.761 20 0 BFADLO Cc1n[nH]c2ccc(-c3ccc(C)c(N)[nH+]3)cc12 ZINC001241667760 982904265 /nfs/dbraw/zinc/90/42/65/982904265.db2.gz XIBSBYPQLNGPHO-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Nc1ccc(-c2ccc3ccncc3c2)c[nH+]1 ZINC001241675240 982923089 /nfs/dbraw/zinc/92/30/89/982923089.db2.gz FARVEAWGXPAEEJ-UHFFFAOYSA-N 1 2 221.263 2.879 20 0 BFADLO Cn1cnc2cc(CNc3cccc[nH+]3)ccc21 ZINC001199491775 982935791 /nfs/dbraw/zinc/93/57/91/982935791.db2.gz YGHNHMJESZCBGT-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO COCCOc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001241749835 983030439 /nfs/dbraw/zinc/03/04/39/983030439.db2.gz XRMOBFKPYCYIQC-KGNILVOKSA-N 1 2 233.311 2.588 20 0 BFADLO CCCn1nc(C)cc1-c1ccn2cc[nH+]c2c1 ZINC001241763210 983038473 /nfs/dbraw/zinc/03/84/73/983038473.db2.gz YPPFBAQYSHWONY-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO CNc1cc(-c2cnc(OC)cc2C)cc[nH+]1 ZINC001241772136 983041127 /nfs/dbraw/zinc/04/11/27/983041127.db2.gz BAKXKQKFNAZQPM-UHFFFAOYSA-N 1 2 229.283 2.502 20 0 BFADLO Fc1ccc(-c2cccc3[nH+]ccn32)nc1 ZINC001241807529 983061603 /nfs/dbraw/zinc/06/16/03/983061603.db2.gz KMZGTHUQNMUWJD-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc(F)cn1 ZINC001241808686 983066145 /nfs/dbraw/zinc/06/61/45/983066145.db2.gz SYONMDJPJPXLAB-UHFFFAOYSA-N 1 2 218.231 2.600 20 0 BFADLO Cc1cc(-c2ccc(N)[nH+]c2)cc(C)c1N ZINC001241886135 983096035 /nfs/dbraw/zinc/09/60/35/983096035.db2.gz YKWHRSFYZXHZOM-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Nc1ccc(Nc2ccc3c(c2)C(=O)CC3)c[nH+]1 ZINC001201284721 983156105 /nfs/dbraw/zinc/15/61/05/983156105.db2.gz XVZPDSCSYQAQKK-UHFFFAOYSA-N 1 2 239.278 2.536 20 0 BFADLO Nc1ccc(Nc2ccc3ocnc3c2)c[nH+]1 ZINC001201283677 983157298 /nfs/dbraw/zinc/15/72/98/983157298.db2.gz DEYZZLHWPOCJDA-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1ccc(Nc2cc(Cl)ccc2N)c[nH+]1 ZINC001201285245 983161066 /nfs/dbraw/zinc/16/10/66/983161066.db2.gz DRUDLZPWGAWFQV-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO Nc1ccc(Nc2ccc3oncc3c2)c[nH+]1 ZINC001201285293 983161167 /nfs/dbraw/zinc/16/11/67/983161167.db2.gz GJVJGNQIAYKXAZ-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1cc(-c2ccccc2OC(F)F)cc[nH+]1 ZINC001241952451 983167419 /nfs/dbraw/zinc/16/74/19/983167419.db2.gz YHEQCIPWUZMLNF-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO Cc1cc(O)cc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201292065 983169930 /nfs/dbraw/zinc/16/99/30/983169930.db2.gz IPSGSCLDQZBHSX-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1ccc(Nc2ccc(N)[nH+]c2)c(Cl)n1 ZINC001201276670 983176077 /nfs/dbraw/zinc/17/60/77/983176077.db2.gz ZLBJLPRCUFKTGJ-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)n(C2CCC2)n1 ZINC001201278303 983178302 /nfs/dbraw/zinc/17/83/02/983178302.db2.gz AJOSJBZNNCOKFY-UHFFFAOYSA-N 1 2 243.314 2.637 20 0 BFADLO CC(=O)c1ccsc1Nc1ccc(N)[nH+]c1 ZINC001201278853 983178647 /nfs/dbraw/zinc/17/86/47/983178647.db2.gz OSWLEYIEFYTADU-UHFFFAOYSA-N 1 2 233.296 2.672 20 0 BFADLO CC(C)Oc1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201278793 983178660 /nfs/dbraw/zinc/17/86/60/983178660.db2.gz GOUFUWBOBNXRPI-UHFFFAOYSA-N 1 2 244.298 2.590 20 0 BFADLO CSc1cc(Nc2ccc(N)[nH+]c2)ccn1 ZINC001201278763 983178984 /nfs/dbraw/zinc/17/89/84/983178984.db2.gz FTFREJFTBVFRAX-UHFFFAOYSA-N 1 2 232.312 2.524 20 0 BFADLO CNc1cc(-c2cc(C)nc(C)c2)cc[nH+]1 ZINC001241996249 983190505 /nfs/dbraw/zinc/19/05/05/983190505.db2.gz VNIHQYJIDUYXKY-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CCc1ccc(N(C)CC2=CCSC2)[nH+]c1 ZINC001354238796 983217382 /nfs/dbraw/zinc/21/73/82/983217382.db2.gz YNKLNUREXKVRPI-UHFFFAOYSA-N 1 2 234.368 2.753 20 0 BFADLO CCc1ccc(N2C[C@@H](OC)CC[C@H]2C)[nH+]c1 ZINC001354248914 983222381 /nfs/dbraw/zinc/22/23/81/983222381.db2.gz VVBKGQVRRPTGDL-YPMHNXCESA-N 1 2 234.343 2.648 20 0 BFADLO COCc1ccc(-c2[nH]cc[nH+]2)c(C)c1 ZINC001242019238 983222813 /nfs/dbraw/zinc/22/28/13/983222813.db2.gz NLZHJJVPDJIKIJ-UHFFFAOYSA-N 1 2 202.257 2.532 20 0 BFADLO CSc1cc(-c2[nH]cc[nH+]2)ccc1F ZINC001242019362 983223753 /nfs/dbraw/zinc/22/37/53/983223753.db2.gz SQZNKADPCXXBOW-UHFFFAOYSA-N 1 2 208.261 2.938 20 0 BFADLO CCc1cc(-c2[nH]cc[nH+]2)ccc1OC ZINC001242020494 983228260 /nfs/dbraw/zinc/22/82/60/983228260.db2.gz YEEQEZAESFTZDQ-UHFFFAOYSA-N 1 2 202.257 2.648 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2ccc(=O)[nH]c2)c1 ZINC001242064081 983285618 /nfs/dbraw/zinc/28/56/18/983285618.db2.gz LVCIQXBHLGYJLI-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2scnc21 ZINC001242072383 983307554 /nfs/dbraw/zinc/30/75/54/983307554.db2.gz KLUXKCBPFVBIQF-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO CC[NH+]1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001201581956 983344518 /nfs/dbraw/zinc/34/45/18/983344518.db2.gz WMEFNRWLHNFIJF-UHFFFAOYSA-N 1 2 245.244 2.788 20 0 BFADLO CC[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001201582049 983347213 /nfs/dbraw/zinc/34/72/13/983347213.db2.gz YOJSEPCWGZHIMZ-UHFFFAOYSA-N 1 2 245.244 2.788 20 0 BFADLO Cc1noc(C)c1-c1ccn2cc[nH+]c2c1 ZINC001242106219 983349764 /nfs/dbraw/zinc/34/97/64/983349764.db2.gz DWMBETXHBJRUNK-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO COC(=[NH2+])c1cccc(-c2c(C)noc2C)c1 ZINC001242107709 983354208 /nfs/dbraw/zinc/35/42/08/983354208.db2.gz NQWRTBZUNVAENT-UHFFFAOYSA-N 1 2 230.267 2.930 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@@H+]1CCc1ccccc1 ZINC001201594343 983354830 /nfs/dbraw/zinc/35/48/30/983354830.db2.gz AMSJSUHCNIFMIP-STQMWFEESA-N 1 2 225.282 2.611 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@H+]1CCc1ccccc1 ZINC001201594343 983354839 /nfs/dbraw/zinc/35/48/39/983354839.db2.gz AMSJSUHCNIFMIP-STQMWFEESA-N 1 2 225.282 2.611 20 0 BFADLO Cc1ccc(C)c(Nc2cncc(O)c2)[nH+]1 ZINC001201633506 983361790 /nfs/dbraw/zinc/36/17/90/983361790.db2.gz UZBDUMVMAZUNBX-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc(NC(=S)Nc2ccccc2)cc[nH+]1 ZINC001200826417 983387305 /nfs/dbraw/zinc/38/73/05/983387305.db2.gz HAJSYIYEOMCGRC-UHFFFAOYSA-N 1 2 243.335 2.621 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cccnc2c1 ZINC001242249717 983461021 /nfs/dbraw/zinc/46/10/21/983461021.db2.gz ADFZJBMBPRLNEX-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO Cc1c(F)c(F)ccc1-c1ccc[nH+]c1N ZINC001242305740 983528833 /nfs/dbraw/zinc/52/88/33/983528833.db2.gz CQFZXRJCHVJGPD-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO OCc1ccc(F)cc1-c1[nH+]ccc2[nH]ccc21 ZINC001242337447 983584491 /nfs/dbraw/zinc/58/44/91/983584491.db2.gz FQMUVRMVRSMGDY-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO OCc1ccc(F)cc1-c1cccc2[nH+]ccn21 ZINC001242340387 983588112 /nfs/dbraw/zinc/58/81/12/983588112.db2.gz PGBRLAHKWPMZSL-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO C[C@]1(F)CC[N@H+](CCC(F)(F)F)C[C@H]1F ZINC001202308121 983618895 /nfs/dbraw/zinc/61/88/95/983618895.db2.gz SYOHETFRZSDEEB-SFYZADRCSA-N 1 2 231.208 2.711 20 0 BFADLO C[C@]1(F)CC[N@@H+](CCC(F)(F)F)C[C@H]1F ZINC001202308121 983618898 /nfs/dbraw/zinc/61/88/98/983618898.db2.gz SYOHETFRZSDEEB-SFYZADRCSA-N 1 2 231.208 2.711 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1CO ZINC001242384110 983674126 /nfs/dbraw/zinc/67/41/26/983674126.db2.gz OHODJWXJFGHMCT-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(-c2ccc3ncncc3c2)cc[nH+]1 ZINC001242514351 983837197 /nfs/dbraw/zinc/83/71/97/983837197.db2.gz OMQZUCYECHOQRD-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO CCc1ncccc1-c1cccc2[nH+]ccn21 ZINC001242524566 983845512 /nfs/dbraw/zinc/84/55/12/983845512.db2.gz XKTKBFINNPWENL-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc([C@H](C)O)c1 ZINC001242551878 983870757 /nfs/dbraw/zinc/87/07/57/983870757.db2.gz UXPOSQKFJLDLKB-BEGHXQPPSA-N 1 2 203.285 2.616 20 0 BFADLO CNc1cc(-c2ccnn2C(C)C)cc[nH+]1 ZINC001242559163 983883017 /nfs/dbraw/zinc/88/30/17/983883017.db2.gz TXGSLPDQTZQHTQ-UHFFFAOYSA-N 1 2 216.288 2.568 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2ocnc2c1 ZINC001242596920 983931519 /nfs/dbraw/zinc/93/15/19/983931519.db2.gz YQQAZENKCHHUJG-YGQDEOHPSA-N 1 2 200.241 2.704 20 0 BFADLO Cc1oncc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001242601753 983947902 /nfs/dbraw/zinc/94/79/02/983947902.db2.gz QTUCSCZFFTYEBL-UHFFFAOYSA-N 1 2 225.251 2.836 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncc(N2CCCC2)c1 ZINC001242620032 984006397 /nfs/dbraw/zinc/00/63/97/984006397.db2.gz QNVCRALQNNPMFC-ZCGKFZJYSA-N 1 2 229.327 2.558 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccnc1OC(F)F ZINC001242630505 984009760 /nfs/dbraw/zinc/00/97/60/984009760.db2.gz RUSDPLBGCJQVKT-JHMJBTLWSA-N 1 2 226.226 2.559 20 0 BFADLO Cc1ccc(Nc2cccc(=O)[nH]2)c(C)[nH+]1 ZINC001212786213 984011253 /nfs/dbraw/zinc/01/12/53/984011253.db2.gz JRFMOZZPNQNBNS-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCc1cc(OC)ccc1-c1ccc[nH+]c1N ZINC001242698440 984050523 /nfs/dbraw/zinc/05/05/23/984050523.db2.gz LNHMWMBYSLEPSX-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Nc1cc(-c2ccccc2-n2cccn2)cc[nH+]1 ZINC001242710399 984058364 /nfs/dbraw/zinc/05/83/64/984058364.db2.gz IWFYDHMDDMPLEJ-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO Cc1cc(F)ncc1Nc1cccc2[nH+]ccn21 ZINC001212812104 984223550 /nfs/dbraw/zinc/22/35/50/984223550.db2.gz VWQGNXXDPKPLMT-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1cc(F)ncc1Nc1cccn2cc[nH+]c12 ZINC001212812772 984225624 /nfs/dbraw/zinc/22/56/24/984225624.db2.gz LPPOQGZPCJTZEW-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO C=C(c1ccccc1)c1ccn2cc(N)[nH+]c2c1 ZINC001242893534 984241181 /nfs/dbraw/zinc/24/11/81/984241181.db2.gz CAUMYUZTJXQDKZ-UHFFFAOYSA-N 1 2 235.290 2.978 20 0 BFADLO Cc1ccc(-c2[nH+]ccc3[nH]ccc32)nc1 ZINC001242903964 984266170 /nfs/dbraw/zinc/26/61/70/984266170.db2.gz ICDWUSIQEAOLGJ-UHFFFAOYSA-N 1 2 209.252 2.933 20 0 BFADLO COCc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001242954803 984319841 /nfs/dbraw/zinc/31/98/41/984319841.db2.gz ZJMIDDUYUVMELM-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO Cc1cn2cc(-c3cnn4ccccc34)ccc2[nH+]1 ZINC001242966679 984329048 /nfs/dbraw/zinc/32/90/48/984329048.db2.gz WZUNCWSWXVFAPR-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO COC(=O)c1cc(C)cc(/C(C)=C/C=C/[NH3+])c1 ZINC001243024248 984376106 /nfs/dbraw/zinc/37/61/06/984376106.db2.gz QWUQTNZPILYLRJ-KGUOMNFLSA-N 1 2 231.295 2.657 20 0 BFADLO Oc1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001243050794 984413961 /nfs/dbraw/zinc/41/39/61/984413961.db2.gz YBXZVENDOCVQSQ-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO CNc1cc(-c2ccc(F)c(O)c2)cc[nH+]1 ZINC001243062931 984453051 /nfs/dbraw/zinc/45/30/51/984453051.db2.gz PNMWEIDVLZDHGR-UHFFFAOYSA-N 1 2 218.231 2.635 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc2cc[nH]c21 ZINC001243069502 984488637 /nfs/dbraw/zinc/48/86/37/984488637.db2.gz HMUBGPOBRLBCAM-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cnsc2c1 ZINC001243069943 984492519 /nfs/dbraw/zinc/49/25/19/984492519.db2.gz ORVKUOBRJGIHQR-UHFFFAOYSA-N 1 2 215.281 2.697 20 0 BFADLO C=Cc1cc(F)cc(-c2c[nH+]cn2C)c1 ZINC001243072193 984506370 /nfs/dbraw/zinc/50/63/70/984506370.db2.gz LKSCBPNPFZQEFO-UHFFFAOYSA-N 1 2 202.232 2.869 20 0 BFADLO CCOc1ccc(C)c(-c2c[nH+]cn2C)c1 ZINC001243073166 984509900 /nfs/dbraw/zinc/50/99/00/984509900.db2.gz ZWWCZZCGWIVZOI-UHFFFAOYSA-N 1 2 216.284 2.794 20 0 BFADLO OCc1cccc(-c2cccc3[nH+]ccn32)c1F ZINC001243142074 984601921 /nfs/dbraw/zinc/60/19/21/984601921.db2.gz GXOCZYDHOCHSGD-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO COCOc1ccccc1/C(C)=C/C=C/[NH3+] ZINC001243185072 984653339 /nfs/dbraw/zinc/65/33/39/984653339.db2.gz USEHUKHHWSAWHP-MPEOSAONSA-N 1 2 219.284 2.545 20 0 BFADLO Cn1ccc2c1cc[nH+]c2-c1cc(N)ccc1F ZINC001243283646 984809315 /nfs/dbraw/zinc/80/93/15/984809315.db2.gz PCQSFKBVPZKFGH-UHFFFAOYSA-N 1 2 241.269 2.962 20 0 BFADLO Nc1cc(-c2cc(Cl)cc3n[nH]cc32)cc[nH+]1 ZINC001243317033 984824301 /nfs/dbraw/zinc/82/43/01/984824301.db2.gz XJEMDJRJGRUQLC-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO CNc1cc(-c2ccc(OC(C)=O)cc2)cc[nH+]1 ZINC001243364270 984844523 /nfs/dbraw/zinc/84/45/23/984844523.db2.gz KERLDWWCHBLFIQ-UHFFFAOYSA-N 1 2 242.278 2.716 20 0 BFADLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)cnc1F ZINC001243397915 984889970 /nfs/dbraw/zinc/88/99/70/984889970.db2.gz KMBNONFGQNLKQB-UHFFFAOYSA-N 1 2 243.285 2.592 20 0 BFADLO C[Si](C)(C)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001243472881 985018006 /nfs/dbraw/zinc/01/80/06/985018006.db2.gz BVUVQHQXIZCNSC-UHFFFAOYSA-N 1 2 242.398 2.876 20 0 BFADLO Cc1nc2cc(-c3ccc[nH+]c3N)ccc2o1 ZINC001243474449 985026471 /nfs/dbraw/zinc/02/64/71/985026471.db2.gz MJTABKGPYPDTCE-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Nc1[nH+]cccc1-c1ccncc1C(F)(F)F ZINC001243475368 985031823 /nfs/dbraw/zinc/03/18/23/985031823.db2.gz XNTSZZZLHVLCKS-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(F)c2cc[nH]c21 ZINC001243474923 985032097 /nfs/dbraw/zinc/03/20/97/985032097.db2.gz UECOKOUMJSHOIG-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(OCC2CC2)c1 ZINC001243477484 985034563 /nfs/dbraw/zinc/03/45/63/985034563.db2.gz QAOBVURHQATDJX-UHFFFAOYSA-N 1 2 241.294 2.515 20 0 BFADLO CCOc1cc(OC)cc(-c2ccc[nH+]c2N)c1 ZINC001243477819 985040876 /nfs/dbraw/zinc/04/08/76/985040876.db2.gz PGJZADRJEXZJPV-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO CCOCc1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477977 985043462 /nfs/dbraw/zinc/04/34/62/985043462.db2.gz VFAIOVZOUJHHQY-UHFFFAOYSA-N 1 2 228.295 2.867 20 0 BFADLO Cc1ccc(N(C)C)c(-c2ccc[nH+]c2N)c1 ZINC001243477965 985045268 /nfs/dbraw/zinc/04/52/68/985045268.db2.gz URBFUXRHUXUVFX-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Cc1cc(-c2cc(F)cc(F)c2O)c[nH+]c1N ZINC001243506171 985057140 /nfs/dbraw/zinc/05/71/40/985057140.db2.gz YXQXPJMVJDBSDV-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO CCOc1cc(-c2ccc[nH+]c2N)ccc1OC ZINC001243538410 985072151 /nfs/dbraw/zinc/07/21/51/985072151.db2.gz CCCSAJAAJVWURZ-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO CCOc1cc(-c2ccc(N)[nH+]c2)ccc1OC ZINC001243543480 985075658 /nfs/dbraw/zinc/07/56/58/985075658.db2.gz NRCWVEAWTVCEGG-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO Cc1ccnc(F)c1-c1cccc2[nH+]ccn21 ZINC001243552372 985110328 /nfs/dbraw/zinc/11/03/28/985110328.db2.gz SWGYKXCGBFEADE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cc(C)[nH+]cc1-c1c(C)ccnc1F ZINC001243554178 985118012 /nfs/dbraw/zinc/11/80/12/985118012.db2.gz PBNIDPRECNGVBB-UHFFFAOYSA-N 1 2 232.258 2.908 20 0 BFADLO CCc1cc(N2CC3(C2)CCCC3)nc(CC)[nH+]1 ZINC001458330924 985294608 /nfs/dbraw/zinc/29/46/08/985294608.db2.gz MUTUMLULBNEQKF-UHFFFAOYSA-N 1 2 245.370 2.982 20 0 BFADLO CC/C=C/CNc1cc(CC)[nH+]c(CC)n1 ZINC001458399621 985303410 /nfs/dbraw/zinc/30/34/10/985303410.db2.gz DXQICPQBOLEAFG-BQYQJAHWSA-N 1 2 219.332 2.980 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(Cl)c2n[nH]cc21 ZINC001243775909 985309012 /nfs/dbraw/zinc/30/90/12/985309012.db2.gz JPJOITBAAKLKRX-UHFFFAOYSA-N 1 2 232.674 2.617 20 0 BFADLO Nc1cc(-c2ccc(Cl)c3n[nH]cc32)cc[nH+]1 ZINC001243779415 985320990 /nfs/dbraw/zinc/32/09/90/985320990.db2.gz FBTMTONJGAVXEO-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO Cc1csc(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC001458490927 985321302 /nfs/dbraw/zinc/32/13/02/985321302.db2.gz UHUKWBHPTUINNS-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Cc1cnc(F)cc1-c1cc[nH+]c2c1CCN2 ZINC001243787024 985338410 /nfs/dbraw/zinc/33/84/10/985338410.db2.gz PDAPRHXKMQDJMT-UHFFFAOYSA-N 1 2 229.258 2.559 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000187559162 985349151 /nfs/dbraw/zinc/34/91/51/985349151.db2.gz HUELZOJANNTFEQ-NSHDSACASA-N 1 2 236.359 2.755 20 0 BFADLO COC[C@@H](C)CNc1ccc([NH+](C)C)c(C)c1 ZINC000187559162 985349161 /nfs/dbraw/zinc/34/91/61/985349161.db2.gz HUELZOJANNTFEQ-NSHDSACASA-N 1 2 236.359 2.755 20 0 BFADLO CC(C)=CCC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258088965 985391703 /nfs/dbraw/zinc/39/17/03/985391703.db2.gz QEMOBZRYBOLDSO-LBPRGKRZSA-N 1 2 246.345 2.662 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+]1CCNCC(F)(F)C1 ZINC001258088965 985391711 /nfs/dbraw/zinc/39/17/11/985391711.db2.gz QEMOBZRYBOLDSO-LBPRGKRZSA-N 1 2 246.345 2.662 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+]1CCNCC(F)(F)C1 ZINC001258088965 985391723 /nfs/dbraw/zinc/39/17/23/985391723.db2.gz QEMOBZRYBOLDSO-LBPRGKRZSA-N 1 2 246.345 2.662 20 0 BFADLO CO[C@H]1CC=C(c2ccn3cc[nH+]c3c2)CC1 ZINC001243808720 985391800 /nfs/dbraw/zinc/39/18/00/985391800.db2.gz UHBVIZIKSDYFBO-ZDUSSCGKSA-N 1 2 228.295 2.917 20 0 BFADLO CCC(CC)[N@H+](Cc1cnsn1)C1CC1 ZINC000687821332 985394472 /nfs/dbraw/zinc/39/44/72/985394472.db2.gz XMKRKZRPIFTOLU-UHFFFAOYSA-N 1 2 225.361 2.691 20 0 BFADLO CCC(CC)[N@@H+](Cc1cnsn1)C1CC1 ZINC000687821332 985394486 /nfs/dbraw/zinc/39/44/86/985394486.db2.gz XMKRKZRPIFTOLU-UHFFFAOYSA-N 1 2 225.361 2.691 20 0 BFADLO CCc1cn(C[C@@H](OC)c2ccc(F)cc2)c[nH+]1 ZINC001459262791 985416710 /nfs/dbraw/zinc/41/67/10/985416710.db2.gz OJLMIIVEBUSSOF-CQSZACIVSA-N 1 2 248.301 2.972 20 0 BFADLO CCc1cn(C[C@H](Cc2ccccc2)OC)c[nH+]1 ZINC001459257894 985421244 /nfs/dbraw/zinc/42/12/44/985421244.db2.gz DETDJOBZWUGSTF-HNNXBMFYSA-N 1 2 244.338 2.703 20 0 BFADLO CCc1cn(Cc2ccnc(Cl)c2)c[nH+]1 ZINC001459265754 985429148 /nfs/dbraw/zinc/42/91/48/985429148.db2.gz YPSMMHCJXRYQDO-UHFFFAOYSA-N 1 2 221.691 2.542 20 0 BFADLO CCc1cn(Cc2nc3ccccc3o2)c[nH+]1 ZINC001459262969 985429980 /nfs/dbraw/zinc/42/99/80/985429980.db2.gz QFACZPOYFYCZAR-UHFFFAOYSA-N 1 2 227.267 2.635 20 0 BFADLO Cc1cc2cccnc2c(C2=C[NH2+]CCC2)n1 ZINC001243950330 985652132 /nfs/dbraw/zinc/65/21/32/985652132.db2.gz YJKUVDHGMMKYIU-UHFFFAOYSA-N 1 2 225.295 2.663 20 0 BFADLO Cc1cc(-c2cc(F)nc(F)c2)cn2cc[nH+]c12 ZINC001243971042 985697814 /nfs/dbraw/zinc/69/78/14/985697814.db2.gz ODBDIXORLJPYMC-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO CSC(C)(C)C[C@@H](C)[NH+]1CC(F)C1 ZINC001258332216 985811063 /nfs/dbraw/zinc/81/10/63/985811063.db2.gz VEURVOAPLXDGLX-MRVPVSSYSA-N 1 2 205.342 2.560 20 0 BFADLO CO[C@H]1CC=C(Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC001212871892 985814298 /nfs/dbraw/zinc/81/42/98/985814298.db2.gz FYEZVASCJNPHNL-ZDUSSCGKSA-N 1 2 247.342 2.642 20 0 BFADLO COc1cc(NC2=CC[C@H](OC)CC2)cc(C)[nH+]1 ZINC001212876965 985840863 /nfs/dbraw/zinc/84/08/63/985840863.db2.gz PBBPKZNANHCOAV-ZDUSSCGKSA-N 1 2 248.326 2.893 20 0 BFADLO COCc1ccc(C)c(-c2ccc[nH+]c2N)c1 ZINC001244174533 985881457 /nfs/dbraw/zinc/88/14/57/985881457.db2.gz ZYPQLMNTUVXZII-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Cc1cc(-c2ccc(Cl)cc2N)c[nH+]c1N ZINC001244200760 985887704 /nfs/dbraw/zinc/88/77/04/985887704.db2.gz SYAKHHDCLNNJQC-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO Cc1nn(C)c2cc(-c3ccc(N)[nH+]c3)ccc12 ZINC001244231970 985894094 /nfs/dbraw/zinc/89/40/94/985894094.db2.gz XPTTXUKFPFQCLL-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001460929745 985942745 /nfs/dbraw/zinc/94/27/45/985942745.db2.gz CRLGKAWOPIPLDY-RYUDHWBXSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001460929745 985942753 /nfs/dbraw/zinc/94/27/53/985942753.db2.gz CRLGKAWOPIPLDY-RYUDHWBXSA-N 1 2 249.345 2.903 20 0 BFADLO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC001461390758 986051957 /nfs/dbraw/zinc/05/19/57/986051957.db2.gz QMKZHTVWPMZAAB-IAQYHMDHSA-N 1 2 241.338 2.823 20 0 BFADLO COCOc1ccc(C)cc1/C(C)=C/C=C/[NH3+] ZINC001244406851 986081045 /nfs/dbraw/zinc/08/10/45/986081045.db2.gz QANVXKKBAYJRGI-FWSLBAKWSA-N 1 2 233.311 2.853 20 0 BFADLO CC[NH+](CC)c1ccc(Nc2nonc2C)cc1 ZINC001212968126 986084399 /nfs/dbraw/zinc/08/43/99/986084399.db2.gz LEQJCEXNBGIDJC-UHFFFAOYSA-N 1 2 246.314 2.968 20 0 BFADLO Cc1ccc(O)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001244408949 986087705 /nfs/dbraw/zinc/08/77/05/986087705.db2.gz MOECQTITEBNCGE-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO c1cc(CNc2cc3cc[nH]c3c[nH+]2)sn1 ZINC001461607774 986093287 /nfs/dbraw/zinc/09/32/87/986093287.db2.gz MTZALPPISULREV-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(Cl)cc1O ZINC001244470087 986122681 /nfs/dbraw/zinc/12/26/81/986122681.db2.gz ZFFVDVILMIWGRE-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H](CC)C[C@@H](C)CC)CC1 ZINC001258780980 986180186 /nfs/dbraw/zinc/18/01/86/986180186.db2.gz SNLIHZZAHAGYEA-RYUDHWBXSA-N 1 2 241.375 2.887 20 0 BFADLO C[N@H+](Cc1cscn1)C[C@]1(C)CCCCO1 ZINC001461969134 986251635 /nfs/dbraw/zinc/25/16/35/986251635.db2.gz ILIRESSJUAIDOQ-LBPRGKRZSA-N 1 2 240.372 2.534 20 0 BFADLO C[N@@H+](Cc1cscn1)C[C@]1(C)CCCCO1 ZINC001461969134 986251646 /nfs/dbraw/zinc/25/16/46/986251646.db2.gz ILIRESSJUAIDOQ-LBPRGKRZSA-N 1 2 240.372 2.534 20 0 BFADLO CCOc1ncc(/C(C)=C/C=C/[NH3+])cc1C ZINC001244685042 986306920 /nfs/dbraw/zinc/30/69/20/986306920.db2.gz YZFZAEVKFWFMIF-YLNKAEQOSA-N 1 2 218.300 2.664 20 0 BFADLO Cc1cc(-c2ccc(O)c(CO)c2)cc(C)[nH+]1 ZINC001244775721 986339686 /nfs/dbraw/zinc/33/96/86/986339686.db2.gz TTXVSUGXFRVYQO-UHFFFAOYSA-N 1 2 229.279 2.563 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)cc(N(C)C)c1 ZINC001244797787 986346984 /nfs/dbraw/zinc/34/69/84/986346984.db2.gz HDKPCGGAOBTALL-GQYICFGZSA-N 1 2 220.291 2.767 20 0 BFADLO FC[C@H]1CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001462539311 986421128 /nfs/dbraw/zinc/42/11/28/986421128.db2.gz GMOLENDEDRKJQG-MRVPVSSYSA-N 1 2 246.688 2.666 20 0 BFADLO FC[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001462539311 986421137 /nfs/dbraw/zinc/42/11/37/986421137.db2.gz GMOLENDEDRKJQG-MRVPVSSYSA-N 1 2 246.688 2.666 20 0 BFADLO Cc1cc(-c2cnc(Cl)cc2C)c[nH+]c1N ZINC001244917443 986472087 /nfs/dbraw/zinc/47/20/87/986472087.db2.gz XRZDCLQIYAUZIO-UHFFFAOYSA-N 1 2 233.702 2.996 20 0 BFADLO CNc1cc(-c2ccc(C(=O)OC)cc2)cc[nH+]1 ZINC001244972475 986548103 /nfs/dbraw/zinc/54/81/03/986548103.db2.gz GKWGRVPPQJVJEN-UHFFFAOYSA-N 1 2 242.278 2.577 20 0 BFADLO CNc1cc(-c2cccc(OC(C)=O)c2)cc[nH+]1 ZINC001244973021 986548407 /nfs/dbraw/zinc/54/84/07/986548407.db2.gz SLENVIDRJCRJOY-UHFFFAOYSA-N 1 2 242.278 2.716 20 0 BFADLO CNc1cc(-c2cccc(C3COC3)c2)cc[nH+]1 ZINC001244972311 986550459 /nfs/dbraw/zinc/55/04/59/986550459.db2.gz LUYGTTVQVPOMLU-UHFFFAOYSA-N 1 2 240.306 2.904 20 0 BFADLO CNc1cc(-c2ccc(N)c(F)c2)cc[nH+]1 ZINC001244971840 986550954 /nfs/dbraw/zinc/55/09/54/986550954.db2.gz JLKMLGKNUCEXGA-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO CNc1cc(-c2cnc3c(c2)CCC3)cc[nH+]1 ZINC001244973396 986554369 /nfs/dbraw/zinc/55/43/69/986554369.db2.gz OQWMRDXMQPBBQB-UHFFFAOYSA-N 1 2 225.295 2.674 20 0 BFADLO CNc1cc(-c2ccc3ncoc3c2)cc[nH+]1 ZINC001244973316 986554682 /nfs/dbraw/zinc/55/46/82/986554682.db2.gz MAUVQFQDGFFOQT-UHFFFAOYSA-N 1 2 225.251 2.932 20 0 BFADLO CNc1cc(-c2c(C)cc(OC)nc2C)cc[nH+]1 ZINC001244972933 986557116 /nfs/dbraw/zinc/55/71/16/986557116.db2.gz QBKAFBJFQCIOQM-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1cc(Cl)ccc1O ZINC001245049397 986605792 /nfs/dbraw/zinc/60/57/92/986605792.db2.gz OTUNVXQYZDSRNF-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Cc1cc(-c2cc(Cl)cc(CO)c2)c[nH+]c1N ZINC001245092030 986661908 /nfs/dbraw/zinc/66/19/08/986661908.db2.gz VFAGVNRNIXGKLS-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO CCn1ncc2cc(-c3ccc[nH+]c3N)ccc21 ZINC001245237553 986760546 /nfs/dbraw/zinc/76/05/46/986760546.db2.gz RWILJILQKKLTFH-UHFFFAOYSA-N 1 2 238.294 2.700 20 0 BFADLO c1cn2cc(-c3c[nH]c4cnccc43)ccc2[nH+]1 ZINC001245394339 986832160 /nfs/dbraw/zinc/83/21/60/986832160.db2.gz GEJGJKNEEIEUEB-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2cc(-c3cc4cccnc4[nH]3)ccc2[nH+]1 ZINC001245399250 986838073 /nfs/dbraw/zinc/83/80/73/986838073.db2.gz DQZHWIJQFCJMEL-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCCC(=O)CC2)[nH]1 ZINC001137373613 986838882 /nfs/dbraw/zinc/83/88/82/986838882.db2.gz GKOKVDIETDYZMR-UHFFFAOYSA-N 1 2 248.370 2.867 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCCC(=O)CC2)[nH]1 ZINC001137373613 986838887 /nfs/dbraw/zinc/83/88/87/986838887.db2.gz GKOKVDIETDYZMR-UHFFFAOYSA-N 1 2 248.370 2.867 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCOC3(CC3)C2)[nH]1 ZINC001137379595 986841873 /nfs/dbraw/zinc/84/18/73/986841873.db2.gz XJIFXLOXMJLBCF-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCOC3(CC3)C2)[nH]1 ZINC001137379595 986841879 /nfs/dbraw/zinc/84/18/79/986841879.db2.gz XJIFXLOXMJLBCF-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO Cc1cc(-c2c[nH]c3ncc(F)cc23)c[nH+]c1N ZINC001245433470 986849640 /nfs/dbraw/zinc/84/96/40/986849640.db2.gz BKZJOTQBCDLGPX-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1ccc(-c2ccc(F)c(N)c2C)[nH+]c1N ZINC001245457538 986854032 /nfs/dbraw/zinc/85/40/32/986854032.db2.gz VHFZMHDZQGAVNU-UHFFFAOYSA-N 1 2 231.274 2.669 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)cc(N)c1Cl ZINC001245468199 986861295 /nfs/dbraw/zinc/86/12/95/986861295.db2.gz ZJKOYVLHEJRHJM-JKEDICHKSA-N 1 2 226.682 2.937 20 0 BFADLO Cc1cc(-c2ccc(N)cc2Cl)c[nH+]c1N ZINC001245507984 986887491 /nfs/dbraw/zinc/88/74/91/986887491.db2.gz NIEGMPSDVJEHGW-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO Cc1cc(-c2cc(C(F)F)ccn2)c[nH+]c1N ZINC001245536188 986912348 /nfs/dbraw/zinc/91/23/48/986912348.db2.gz QQYIYVNJKYXDCG-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO CCCc1cc(-c2c[nH+]c(N)c(C)c2)nc(C)n1 ZINC001245536680 986913183 /nfs/dbraw/zinc/91/31/83/986913183.db2.gz XXZMABQMXRCPRN-UHFFFAOYSA-N 1 2 242.326 2.690 20 0 BFADLO Cc1cc(-c2cc(C3CCC3)ncn2)c[nH+]c1N ZINC001245538530 986919179 /nfs/dbraw/zinc/91/91/79/986919179.db2.gz PPECZVNVJGWPCO-UHFFFAOYSA-N 1 2 240.310 2.697 20 0 BFADLO Cc1cc(-c2ccc3[nH]cnc3c2C)c[nH+]c1N ZINC001245537539 986920674 /nfs/dbraw/zinc/92/06/74/986920674.db2.gz QYPGSAQTTDKDCT-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Oc1cccc(F)c1-c1ccn2cc[nH+]c2c1 ZINC001245652501 987016617 /nfs/dbraw/zinc/01/66/17/987016617.db2.gz DHUNACALPOACCX-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO CCc1cc(N2CCC[C@H](C)C2)nc(CC)[nH+]1 ZINC001472641266 987265861 /nfs/dbraw/zinc/26/58/61/987265861.db2.gz DXBGFYJBAAIOPE-NSHDSACASA-N 1 2 233.359 2.838 20 0 BFADLO c1n[nH]cc1CNc1ccc([NH+]2CCCC2)cc1 ZINC000693508603 987311380 /nfs/dbraw/zinc/31/13/80/987311380.db2.gz UVQSZRXBOZGPTQ-UHFFFAOYSA-N 1 2 242.326 2.622 20 0 BFADLO CCc1cn(Cc2cc(C)nc(Cl)c2)c[nH+]1 ZINC001473086876 987328567 /nfs/dbraw/zinc/32/85/67/987328567.db2.gz BLTAPFGBKMCICP-UHFFFAOYSA-N 1 2 235.718 2.851 20 0 BFADLO Cc1cscc1C[NH2+]Cc1nnc(C)s1 ZINC000698295284 987371899 /nfs/dbraw/zinc/37/18/99/987371899.db2.gz AYQRQTNKIRRANW-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccco2)C(C)C)[nH]n1 ZINC001116439719 987568678 /nfs/dbraw/zinc/56/86/78/987568678.db2.gz OYOBMWGBDGUYHT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccco2)C(C)C)[nH]n1 ZINC001116439719 987568688 /nfs/dbraw/zinc/56/86/88/987568688.db2.gz OYOBMWGBDGUYHT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cn1ccc(C[N@H+](C)Cc2ccccc2CF)n1 ZINC001473877472 987596748 /nfs/dbraw/zinc/59/67/48/987596748.db2.gz OKNMASSTAQWAEX-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO Cn1ccc(C[N@@H+](C)Cc2ccccc2CF)n1 ZINC001473877472 987596756 /nfs/dbraw/zinc/59/67/56/987596756.db2.gz OKNMASSTAQWAEX-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO CCCCC[C@H](C)[NH2+][C@H]1CNCC(F)(F)C1 ZINC001246220359 987615734 /nfs/dbraw/zinc/61/57/34/987615734.db2.gz CRCSJSAGRLSJNJ-WDEREUQCSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@@H](C)[NH2+][C@@H]1CNCC(F)(F)C1 ZINC001246220357 987617006 /nfs/dbraw/zinc/61/70/06/987617006.db2.gz CRCSJSAGRLSJNJ-MNOVXSKESA-N 1 2 234.334 2.542 20 0 BFADLO Fc1ccc2oc(C[NH2+]Cc3ccoc3)nc2c1 ZINC001473951355 987624179 /nfs/dbraw/zinc/62/41/79/987624179.db2.gz BFGSTDNXYAFITN-UHFFFAOYSA-N 1 2 246.241 2.850 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cccnc2Cl)nc1 ZINC001474192197 987658935 /nfs/dbraw/zinc/65/89/35/987658935.db2.gz BQSATWYCNJSNQU-UHFFFAOYSA-N 1 2 247.729 2.728 20 0 BFADLO Cc1ccc(F)c(CNc2cc(CO)cc[nH+]2)c1 ZINC001474188184 987659928 /nfs/dbraw/zinc/65/99/28/987659928.db2.gz HDGKASRMQWGGBC-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1cc(CNc2cc(F)ccn2)cc(C)[nH+]1 ZINC001474262825 987671496 /nfs/dbraw/zinc/67/14/96/987671496.db2.gz COAZPCWASFPGCW-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO Cc1cccc(N(C)Cc2ccc[nH+]c2N)c1C ZINC001474444104 987723267 /nfs/dbraw/zinc/72/32/67/987723267.db2.gz FDVQVQTZEPEOFS-UHFFFAOYSA-N 1 2 241.338 2.917 20 0 BFADLO Cc1cc(C[NH+]2CC(C(F)(F)F)C2)cc(C)n1 ZINC001474533489 987753055 /nfs/dbraw/zinc/75/30/55/987753055.db2.gz TYGUTZSOTWZKDY-UHFFFAOYSA-N 1 2 244.260 2.693 20 0 BFADLO COc1nsc(C[N@@H+]2C[C@@H](C)[C@H]2C)c1Cl ZINC001474551124 987754040 /nfs/dbraw/zinc/75/40/40/987754040.db2.gz VPSGRIPYFRMEOV-RNFRBKRXSA-N 1 2 246.763 2.645 20 0 BFADLO COc1nsc(C[N@H+]2C[C@@H](C)[C@H]2C)c1Cl ZINC001474551124 987754043 /nfs/dbraw/zinc/75/40/43/987754043.db2.gz VPSGRIPYFRMEOV-RNFRBKRXSA-N 1 2 246.763 2.645 20 0 BFADLO CCc1nc(N2CC(C)(C)C2(C)C)cc(C)[nH+]1 ZINC001117258952 987812363 /nfs/dbraw/zinc/81/23/63/987812363.db2.gz YZXHMSFUMASBNU-UHFFFAOYSA-N 1 2 233.359 2.972 20 0 BFADLO CCC1(NC(=O)[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001117800671 987926155 /nfs/dbraw/zinc/92/61/55/987926155.db2.gz WDUPYWSSFHKIJE-GFCCVEGCSA-N 1 2 249.358 2.673 20 0 BFADLO C[C@@H](C(=O)NC1(C)CCC(C)CC1)n1cc[nH+]c1 ZINC001322236860 988166968 /nfs/dbraw/zinc/16/69/68/988166968.db2.gz PEJZQDCCSUEXDK-LXVYMNJGSA-N 1 2 249.358 2.529 20 0 BFADLO CC1(C)CCC[C@H]([N@@H+]2CC[C@H](N)C(F)(F)C2)C1 ZINC001246837066 988540974 /nfs/dbraw/zinc/54/09/74/988540974.db2.gz PHRNPFVATBFKTJ-QWRGUYRKSA-N 1 2 246.345 2.624 20 0 BFADLO CC1(C)CCC[C@H]([N@H+]2CC[C@H](N)C(F)(F)C2)C1 ZINC001246837066 988540987 /nfs/dbraw/zinc/54/09/87/988540987.db2.gz PHRNPFVATBFKTJ-QWRGUYRKSA-N 1 2 246.345 2.624 20 0 BFADLO CC(C)(C)OC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC001118927290 988705224 /nfs/dbraw/zinc/70/52/24/988705224.db2.gz MPAJCXZULPKBNZ-UHFFFAOYSA-N 1 2 238.331 2.522 20 0 BFADLO CCn1c2ccc(C)cc2[nH+]c1CCCCO ZINC001247044446 988848379 /nfs/dbraw/zinc/84/83/79/988848379.db2.gz VWAIATJFVMJDFL-UHFFFAOYSA-N 1 2 232.327 2.680 20 0 BFADLO Cc1cc(C[NH+]2CC(C3CCCCC3)C2)n[nH]1 ZINC001324710948 988942658 /nfs/dbraw/zinc/94/26/58/988942658.db2.gz QJBUVFSUXULPMQ-UHFFFAOYSA-N 1 2 233.359 2.730 20 0 BFADLO CCc1nn(C[N@@H+](C)C[C@H](C)CC)c(=S)o1 ZINC001119326534 988951607 /nfs/dbraw/zinc/95/16/07/988951607.db2.gz UPBHPCQFDGBQRY-SECBINFHSA-N 1 2 243.376 2.703 20 0 BFADLO CCc1nn(C[N@H+](C)C[C@H](C)CC)c(=S)o1 ZINC001119326534 988951615 /nfs/dbraw/zinc/95/16/15/988951615.db2.gz UPBHPCQFDGBQRY-SECBINFHSA-N 1 2 243.376 2.703 20 0 BFADLO Cc1cccc2[nH]c([NH2+]c3c(N)cnn3C)cc21 ZINC001248433135 989105081 /nfs/dbraw/zinc/10/50/81/989105081.db2.gz FYFPSIBHJLYLEO-UHFFFAOYSA-N 1 2 241.298 2.536 20 0 BFADLO COc1cc[nH+]cc1Nc1cc2cccnc2[nH]1 ZINC001248699341 989127760 /nfs/dbraw/zinc/12/77/60/989127760.db2.gz QNNJMONWUIXYMS-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1ccc(O)c(Nc2cc3cccnc3[nH]2)[nH+]1 ZINC001248698552 989129529 /nfs/dbraw/zinc/12/95/29/989129529.db2.gz AUWNZKKTVHHBFD-UHFFFAOYSA-N 1 2 240.266 2.716 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)[C@H](F)CC2)cs1 ZINC001248801345 989149355 /nfs/dbraw/zinc/14/93/55/989149355.db2.gz MLUFEMSRRNJSAW-LLVKDONJSA-N 1 2 241.331 2.560 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)[C@H](F)CC2)cs1 ZINC001248801345 989149363 /nfs/dbraw/zinc/14/93/63/989149363.db2.gz MLUFEMSRRNJSAW-LLVKDONJSA-N 1 2 241.331 2.560 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CCCCO3)cs1 ZINC001248801564 989153186 /nfs/dbraw/zinc/15/31/86/989153186.db2.gz WVRSYISZYUUMLZ-UHFFFAOYSA-N 1 2 237.368 2.811 20 0 BFADLO CSCC[N@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248843719 989187967 /nfs/dbraw/zinc/18/79/67/989187967.db2.gz YFXNHWJYBKIZDB-UHFFFAOYSA-N 1 2 249.383 2.666 20 0 BFADLO CSCC[N@@H+](C)Cc1nc2ccc(C)cc2[nH]1 ZINC001248843719 989187977 /nfs/dbraw/zinc/18/79/77/989187977.db2.gz YFXNHWJYBKIZDB-UHFFFAOYSA-N 1 2 249.383 2.666 20 0 BFADLO CC[N@H+](C)Cc1ccc(C)nc1Br ZINC001249416693 989274088 /nfs/dbraw/zinc/27/40/88/989274088.db2.gz VXSNHCFOUWIFLI-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO CC[N@@H+](C)Cc1ccc(C)nc1Br ZINC001249416693 989274098 /nfs/dbraw/zinc/27/40/98/989274098.db2.gz VXSNHCFOUWIFLI-UHFFFAOYSA-N 1 2 243.148 2.604 20 0 BFADLO CCSc1ccccc1C[N@@H+]1CCC12COC2 ZINC001249439865 989284222 /nfs/dbraw/zinc/28/42/22/989284222.db2.gz KIHHQNXISRXRAK-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CCSc1ccccc1C[N@H+]1CCC12COC2 ZINC001249439865 989284232 /nfs/dbraw/zinc/28/42/32/989284232.db2.gz KIHHQNXISRXRAK-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)ns1 ZINC001249582674 989311623 /nfs/dbraw/zinc/31/16/23/989311623.db2.gz WKONOMVIYIYPDY-VIFPVBQESA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)ns1 ZINC001249582674 989311631 /nfs/dbraw/zinc/31/16/31/989311631.db2.gz WKONOMVIYIYPDY-VIFPVBQESA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)ns1 ZINC001249582673 989319705 /nfs/dbraw/zinc/31/97/05/989319705.db2.gz WKONOMVIYIYPDY-SECBINFHSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H](C(F)F)C2)ns1 ZINC001249582673 989319716 /nfs/dbraw/zinc/31/97/16/989319716.db2.gz WKONOMVIYIYPDY-SECBINFHSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(F)c(N)c2C)[nH+]1 ZINC001249632403 989330572 /nfs/dbraw/zinc/33/05/72/989330572.db2.gz UTLLSVCEFBUIFC-UHFFFAOYSA-N 1 2 247.273 2.869 20 0 BFADLO CC[NH2+]Cc1noc([C@H](C)c2cccc(C)c2)n1 ZINC001326200494 989420992 /nfs/dbraw/zinc/42/09/92/989420992.db2.gz BSPXDRKAGFPIMK-LLVKDONJSA-N 1 2 245.326 2.639 20 0 BFADLO Clc1cscc1C[N@@H+]1CC[C@]12CCOC2 ZINC001326229700 989438013 /nfs/dbraw/zinc/43/80/13/989438013.db2.gz OQIOYWHBQNVZEL-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1cscc1C[N@H+]1CC[C@]12CCOC2 ZINC001326229700 989438022 /nfs/dbraw/zinc/43/80/22/989438022.db2.gz OQIOYWHBQNVZEL-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO CC(C)=C[C@H]1[C@H](c2nnc(C[NH+](C)C)o2)C1(C)C ZINC001326292052 989471640 /nfs/dbraw/zinc/47/16/40/989471640.db2.gz FQOMPHVQTYEQLQ-CMPLNLGQSA-N 1 2 249.358 2.837 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2)C[C@H]1F ZINC001120038844 989570990 /nfs/dbraw/zinc/57/09/90/989570990.db2.gz ZGBQZXBOXBUOMH-BXKDBHETSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(O)c(F)c2)C[C@H]1F ZINC001120038844 989571000 /nfs/dbraw/zinc/57/10/00/989571000.db2.gz ZGBQZXBOXBUOMH-BXKDBHETSA-N 1 2 241.281 2.711 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC001120038305 989571888 /nfs/dbraw/zinc/57/18/88/989571888.db2.gz PTLQYBDIVUUCQE-ZYHUDNBSSA-N 1 2 241.306 2.858 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC001120038305 989571903 /nfs/dbraw/zinc/57/19/03/989571903.db2.gz PTLQYBDIVUUCQE-ZYHUDNBSSA-N 1 2 241.306 2.858 20 0 BFADLO COc1ccc[nH+]c1NCCCC(F)F ZINC001120058390 989581551 /nfs/dbraw/zinc/58/15/51/989581551.db2.gz QDNVFUOEGNZYHR-UHFFFAOYSA-N 1 2 216.231 2.547 20 0 BFADLO C[C@H](C(=O)N[C@]1(C)CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001326728717 989666871 /nfs/dbraw/zinc/66/68/71/989666871.db2.gz CEQXTTQSRIRMFY-OUCADQQQSA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)[C@H](Nc1cc(N)nc[nH+]1)c1ccccc1 ZINC001120778987 989876065 /nfs/dbraw/zinc/87/60/65/989876065.db2.gz VZSDOOSPPUSHEZ-AWEZNQCLSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cc(F)cc(N(C)Cc2ccco2)[nH+]1 ZINC001120793634 989885323 /nfs/dbraw/zinc/88/53/23/989885323.db2.gz QLGHPYUOOZVKOQ-UHFFFAOYSA-N 1 2 220.247 2.759 20 0 BFADLO CCc1ccc(N2CCC=C(F)C2)[nH+]c1 ZINC001120914886 989965267 /nfs/dbraw/zinc/96/52/67/989965267.db2.gz WBXPUFOZTDXRKG-UHFFFAOYSA-N 1 2 206.264 2.708 20 0 BFADLO CCn1c[nH+]cc1COC(=O)c1cccc(C)c1 ZINC001527008158 990197723 /nfs/dbraw/zinc/19/77/23/990197723.db2.gz UGFPRJDIBPKRHY-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO CCC(C)(C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123054301 990498614 /nfs/dbraw/zinc/49/86/14/990498614.db2.gz BZKRGGSYWVGMJM-UHFFFAOYSA-N 1 2 238.331 2.598 20 0 BFADLO C=C/C=C/CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001544675069 990732277 /nfs/dbraw/zinc/73/22/77/990732277.db2.gz WWMBCYIFQAFERH-SNAWJCMRSA-N 1 2 241.294 2.714 20 0 BFADLO Clc1ncsc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001137824658 990853921 /nfs/dbraw/zinc/85/39/21/990853921.db2.gz ASTUSJCGQBWUEP-SFYZADRCSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1ncsc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001137824658 990853922 /nfs/dbraw/zinc/85/39/22/990853922.db2.gz ASTUSJCGQBWUEP-SFYZADRCSA-N 1 2 228.748 2.781 20 0 BFADLO Cc1ccc(F)c(C[NH+]2CCC2)c1Cl ZINC001138022893 990876395 /nfs/dbraw/zinc/87/63/95/990876395.db2.gz QIXUTUKWPCWYEV-UHFFFAOYSA-N 1 2 213.683 2.993 20 0 BFADLO COC1(C)C[NH+](Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138419222 990945520 /nfs/dbraw/zinc/94/55/20/990945520.db2.gz NNPMQBMAYLHDKU-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO CCc1cc(N2CCC3(CCC3)C2)nc(CC)[nH+]1 ZINC001559180201 991045995 /nfs/dbraw/zinc/04/59/95/991045995.db2.gz YAPMFFKNFQHRIQ-UHFFFAOYSA-N 1 2 245.370 2.982 20 0 BFADLO CCO[C@@]1(C)C[C@H]1Nc1cc(CC)[nH+]c(CC)n1 ZINC001559240686 991057579 /nfs/dbraw/zinc/05/75/79/991057579.db2.gz ZLQMUCPSBWJPNB-RISCZKNCSA-N 1 2 249.358 2.581 20 0 BFADLO CCCn1c[nH+]cc1CN(C)Cc1ccco1 ZINC001308642969 991078163 /nfs/dbraw/zinc/07/81/63/991078163.db2.gz IIEOQPLIYYGQSR-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO Fc1cnc(Cl)c(C[NH+]2CCCCC2)c1 ZINC001138888443 991088589 /nfs/dbraw/zinc/08/85/89/991088589.db2.gz DDLMLXPZIAJMHH-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]2C)cs1 ZINC001138884692 991091404 /nfs/dbraw/zinc/09/14/04/991091404.db2.gz GBTFXAJNMLTXJR-VIFPVBQESA-N 1 2 210.346 2.861 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H]2C)cs1 ZINC001138884692 991091414 /nfs/dbraw/zinc/09/14/14/991091414.db2.gz GBTFXAJNMLTXJR-VIFPVBQESA-N 1 2 210.346 2.861 20 0 BFADLO CSCC[N@H+](C)Cc1cc(F)cnc1Cl ZINC001138899399 991093911 /nfs/dbraw/zinc/09/39/11/991093911.db2.gz XNKOMRGRWYYVLM-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CSCC[N@@H+](C)Cc1cc(F)cnc1Cl ZINC001138899399 991093914 /nfs/dbraw/zinc/09/39/14/991093914.db2.gz XNKOMRGRWYYVLM-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCC(F)(F)C(C)(C)C2)n1 ZINC001138937308 991103987 /nfs/dbraw/zinc/10/39/87/991103987.db2.gz VQQOXJIIWICQJS-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCC(F)(F)C(C)(C)C2)n1 ZINC001138937308 991103990 /nfs/dbraw/zinc/10/39/90/991103990.db2.gz VQQOXJIIWICQJS-UHFFFAOYSA-N 1 2 243.301 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)C/C=C/c2ccccc2)n1 ZINC001138939080 991108589 /nfs/dbraw/zinc/10/85/89/991108589.db2.gz FWBQSMCNZLOZRH-RMKNXTFCSA-N 1 2 241.338 2.863 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)C/C=C/c2ccccc2)n1 ZINC001138939080 991108594 /nfs/dbraw/zinc/10/85/94/991108594.db2.gz FWBQSMCNZLOZRH-RMKNXTFCSA-N 1 2 241.338 2.863 20 0 BFADLO CCc1cn(C[C@H]2CCCC(C)(C)O2)c[nH+]1 ZINC001559466291 991114107 /nfs/dbraw/zinc/11/41/07/991114107.db2.gz QEGDXGKCKMGFRH-GFCCVEGCSA-N 1 2 222.332 2.793 20 0 BFADLO CCCOc1ccccc1C[N@@H+]1CCOC[C@@H]1C ZINC001138995641 991120306 /nfs/dbraw/zinc/12/03/06/991120306.db2.gz RUXCSTUDYZALIW-ZDUSSCGKSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@H+]1CCOC[C@@H]1C ZINC001138995641 991120314 /nfs/dbraw/zinc/12/03/14/991120314.db2.gz RUXCSTUDYZALIW-ZDUSSCGKSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@H+](C)CCF ZINC001138999932 991124299 /nfs/dbraw/zinc/12/42/99/991124299.db2.gz JBNUCFIOLNAETL-UHFFFAOYSA-N 1 2 225.307 2.877 20 0 BFADLO CCCOc1ccccc1C[N@@H+](C)CCF ZINC001138999932 991124305 /nfs/dbraw/zinc/12/43/05/991124305.db2.gz JBNUCFIOLNAETL-UHFFFAOYSA-N 1 2 225.307 2.877 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2C(F)F)CCO1 ZINC001139795386 991373316 /nfs/dbraw/zinc/37/33/16/991373316.db2.gz GTDXDXRGBGZSTN-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2C(F)F)CCO1 ZINC001139795386 991373326 /nfs/dbraw/zinc/37/33/26/991373326.db2.gz GTDXDXRGBGZSTN-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H](CC1CC1)[NH2+]CC(F)(F)C(F)(F)F ZINC001258447582 991392544 /nfs/dbraw/zinc/39/25/44/991392544.db2.gz UOYRMJFUZCZXNU-LURJTMIESA-N 1 2 231.208 2.962 20 0 BFADLO OCc1cc[nH+]c(NCc2ccccc2Cl)c1 ZINC001560510636 991490348 /nfs/dbraw/zinc/49/03/48/991490348.db2.gz DQRDZOHLBLNHFA-UHFFFAOYSA-N 1 2 248.713 2.839 20 0 BFADLO COc1cccc(NCc2cc(C)[nH+]c(C)c2)n1 ZINC001560530232 991492886 /nfs/dbraw/zinc/49/28/86/991492886.db2.gz GGSTUHMXFPQMEO-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1nc(C)c(CNc2cc3cc[nH]c3c[nH+]2)o1 ZINC001560518531 991494435 /nfs/dbraw/zinc/49/44/35/991494435.db2.gz ZHZYZHVUUDUXMT-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO C[N@H+](Cc1cc(O)ccc1F)C1CC(F)(F)C1 ZINC001140050424 991505496 /nfs/dbraw/zinc/50/54/96/991505496.db2.gz KIYOIQOKNFUJOZ-UHFFFAOYSA-N 1 2 245.244 2.761 20 0 BFADLO C[N@@H+](Cc1cc(O)ccc1F)C1CC(F)(F)C1 ZINC001140050424 991505506 /nfs/dbraw/zinc/50/55/06/991505506.db2.gz KIYOIQOKNFUJOZ-UHFFFAOYSA-N 1 2 245.244 2.761 20 0 BFADLO C[NH+](C)Cc1cnc(Br)cc1Cl ZINC001140074881 991515412 /nfs/dbraw/zinc/51/54/12/991515412.db2.gz WIDOSUKLHOHXCB-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO Fc1cccc(C[N@H+](Cc2ccco2)C2CC2)n1 ZINC001140134640 991539503 /nfs/dbraw/zinc/53/95/03/991539503.db2.gz RGOKSOYBNJOWHE-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2ccco2)C2CC2)n1 ZINC001140134640 991539512 /nfs/dbraw/zinc/53/95/12/991539512.db2.gz RGOKSOYBNJOWHE-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@@H]2C)c(C)cc1O ZINC001140197391 991558286 /nfs/dbraw/zinc/55/82/86/991558286.db2.gz NDIAHDIVTFNYGD-LBPRGKRZSA-N 1 2 247.338 2.562 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(C)cc1O ZINC001140197391 991558297 /nfs/dbraw/zinc/55/82/97/991558297.db2.gz NDIAHDIVTFNYGD-LBPRGKRZSA-N 1 2 247.338 2.562 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)n2cc[nH+]c2)ccc1F ZINC001318274738 991641543 /nfs/dbraw/zinc/64/15/43/991641543.db2.gz VWXZTKVLXKTTDN-JTQLQIEISA-N 1 2 247.273 2.530 20 0 BFADLO Cc1cc(NCc2ncccc2F)c[nH+]c1C ZINC001560985868 991680408 /nfs/dbraw/zinc/68/04/08/991680408.db2.gz OLIMPJLMHVBKQL-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CCCC[C@H](CCC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258767854 991729985 /nfs/dbraw/zinc/72/99/85/991729985.db2.gz YFKRLZILHPSTFP-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CCCC[C@H](CCC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258767854 991729996 /nfs/dbraw/zinc/72/99/96/991729996.db2.gz YFKRLZILHPSTFP-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CC[C@@H](C)C[C@H](CC)N1CC([NH+]2CCCC2)C1 ZINC001258795213 991779270 /nfs/dbraw/zinc/77/92/70/991779270.db2.gz PMGXOKHNGQIVDA-KGLIPLIRSA-N 1 2 238.419 2.981 20 0 BFADLO CC[C@H](C)C[C@H](CC)N1CC([NH+]2CCCC2)C1 ZINC001258795212 991781740 /nfs/dbraw/zinc/78/17/40/991781740.db2.gz PMGXOKHNGQIVDA-KBPBESRZSA-N 1 2 238.419 2.981 20 0 BFADLO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC1(F)F ZINC001258876971 991882335 /nfs/dbraw/zinc/88/23/35/991882335.db2.gz BQRHJJRNUQDZDP-JOYOIKCWSA-N 1 2 241.281 2.623 20 0 BFADLO O=C(c1cccs1)C1CC[NH+](CCF)CC1 ZINC001319582619 991901030 /nfs/dbraw/zinc/90/10/30/991901030.db2.gz TZFYJRKWANVXNR-UHFFFAOYSA-N 1 2 241.331 2.612 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NCc1ccn(C)c1 ZINC001320750487 992338860 /nfs/dbraw/zinc/33/88/60/992338860.db2.gz NYTFFUKHSYLTQZ-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CCCCC[C@@H]1CCCN1c1cc(N)nc[nH+]1 ZINC001262687268 993027570 /nfs/dbraw/zinc/02/75/70/993027570.db2.gz JPSFWEGEEOEMHT-LLVKDONJSA-N 1 2 234.347 2.608 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001262805537 993069732 /nfs/dbraw/zinc/06/97/32/993069732.db2.gz UPJOIPPPMBSSBN-FMIVXFBMSA-N 1 2 232.327 2.805 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001262805100 993069946 /nfs/dbraw/zinc/06/99/46/993069946.db2.gz DYNDLMOVUJNQKQ-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO CCC[C@@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC000380612055 993339178 /nfs/dbraw/zinc/33/91/78/993339178.db2.gz KSVJOHKRVCEUDL-GFCCVEGCSA-N 1 2 244.338 2.538 20 0 BFADLO C[C@H](CC(=O)O[C@H](C)c1ccoc1)n1cc[nH+]c1 ZINC001263666610 993457184 /nfs/dbraw/zinc/45/71/84/993457184.db2.gz QYTQKGAPNCOLPL-GHMZBOCLSA-N 1 2 248.282 2.732 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000725330212 994104543 /nfs/dbraw/zinc/10/45/43/994104543.db2.gz UVMQDYUFFYQIHZ-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1 ZINC000725330212 994104567 /nfs/dbraw/zinc/10/45/67/994104567.db2.gz UVMQDYUFFYQIHZ-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO COCCCC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001308154859 995575911 /nfs/dbraw/zinc/57/59/11/995575911.db2.gz ULOYNHAMNMFSKR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO COCCCC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001308154859 995575923 /nfs/dbraw/zinc/57/59/23/995575923.db2.gz ULOYNHAMNMFSKR-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(C)(CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171945586 168310200 /nfs/dbraw/zinc/31/02/00/168310200.db2.gz WZBVAVKQEQJNCR-UHFFFAOYSA-N 1 2 245.326 2.643 20 0 BFADLO Cc1cccnc1C[NH2+][C@H](C)c1cscn1 ZINC000161192957 538914829 /nfs/dbraw/zinc/91/48/29/538914829.db2.gz BHHFFFUOGSTMIF-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO FC(F)O[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000336910179 398138693 /nfs/dbraw/zinc/13/86/93/398138693.db2.gz IDHUMIYTVLLLJO-DTWKUNHWSA-N 1 2 228.242 2.654 20 0 BFADLO CCC(CC)(CC)[S@@](=O)Cc1[nH+]ccn1C ZINC000190559405 168318425 /nfs/dbraw/zinc/31/84/25/168318425.db2.gz GEEYWXQONOQZFL-INIZCTEOSA-N 1 2 242.388 2.638 20 0 BFADLO CCC(CC)(CC)[S@](=O)Cc1c[nH+]cn1C ZINC000277417734 168319127 /nfs/dbraw/zinc/31/91/27/168319127.db2.gz PEESGSHLPQPFFG-MRXNPFEDSA-N 1 2 242.388 2.638 20 0 BFADLO CCC(CC)(CO)CNc1cc[nH+]c(C2CC2)n1 ZINC000157616480 168328810 /nfs/dbraw/zinc/32/88/10/168328810.db2.gz WQBPZRMUMYAIRN-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(F)F ZINC000389909516 398148556 /nfs/dbraw/zinc/14/85/56/398148556.db2.gz IXCVYMISXZEQPZ-MRVPVSSYSA-N 1 2 224.254 2.911 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(F)F ZINC000389920674 398149127 /nfs/dbraw/zinc/14/91/27/398149127.db2.gz QOAXLOBEZVDCFL-QMMMGPOBSA-N 1 2 224.254 2.911 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)no1 ZINC000336542229 178000497 /nfs/dbraw/zinc/00/04/97/178000497.db2.gz DBWNGZRDKONDCI-WPRPVWTQSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)no1 ZINC000336542229 178000499 /nfs/dbraw/zinc/00/04/99/178000499.db2.gz DBWNGZRDKONDCI-WPRPVWTQSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)no1 ZINC000336542227 178000552 /nfs/dbraw/zinc/00/05/52/178000552.db2.gz DBWNGZRDKONDCI-SCZZXKLOSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)no1 ZINC000336542227 178000555 /nfs/dbraw/zinc/00/05/55/178000555.db2.gz DBWNGZRDKONDCI-SCZZXKLOSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)nn1C ZINC000336685595 178000892 /nfs/dbraw/zinc/00/08/92/178000892.db2.gz AANDAKUUKLGMOR-OAHLLOKOSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)nn1C ZINC000336685595 178000893 /nfs/dbraw/zinc/00/08/93/178000893.db2.gz AANDAKUUKLGMOR-OAHLLOKOSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)on1 ZINC000179073887 178002654 /nfs/dbraw/zinc/00/26/54/178002654.db2.gz SFONYTMGRHWBBT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(C[N@H+]2CCc3ccc(F)cc3C2)on1 ZINC000179073887 178002656 /nfs/dbraw/zinc/00/26/56/178002656.db2.gz SFONYTMGRHWBBT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)C(F)F ZINC000389951323 398150800 /nfs/dbraw/zinc/15/08/00/398150800.db2.gz SUZIJBCJYXDEQZ-WCBMZHEXSA-N 1 2 226.270 2.702 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@H](C)C(F)F ZINC000389952119 398150927 /nfs/dbraw/zinc/15/09/27/398150927.db2.gz XORVIJPODDOGSH-SECBINFHSA-N 1 2 229.270 2.747 20 0 BFADLO C[C@@H]([NH2+]C/C=C\c1ccccc1)C(F)F ZINC000389932532 398151088 /nfs/dbraw/zinc/15/10/88/398151088.db2.gz JPWIKTARRDLKCD-DAGBOUIGSA-N 1 2 211.255 2.943 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)nn1C ZINC000336685591 178004154 /nfs/dbraw/zinc/00/41/54/178004154.db2.gz AANDAKUUKLGMOR-HNNXBMFYSA-N 1 2 241.338 2.676 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H]2c2ccccc2)nn1C ZINC000336685591 178004156 /nfs/dbraw/zinc/00/41/56/178004156.db2.gz AANDAKUUKLGMOR-HNNXBMFYSA-N 1 2 241.338 2.676 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(F)F)cc1F ZINC000389968944 398152946 /nfs/dbraw/zinc/15/29/46/398152946.db2.gz QMRKOUGCJZXARK-ZETCQYMHSA-N 1 2 233.233 2.578 20 0 BFADLO Cc1sccc1C[NH2+][C@@H](C)C(F)F ZINC000389939507 398153076 /nfs/dbraw/zinc/15/30/76/398153076.db2.gz LYOKHILAXZETQQ-LURJTMIESA-N 1 2 205.273 2.800 20 0 BFADLO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(F)F)CC2 ZINC000389945143 398153740 /nfs/dbraw/zinc/15/37/40/398153740.db2.gz SSKXIYSLPSAPHR-PRHODGIISA-N 1 2 241.281 2.926 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccsc2Cl)on1 ZINC000336740292 178025826 /nfs/dbraw/zinc/02/58/26/178025826.db2.gz UFDMSFQRPFAMPZ-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(F)cc2F)no1 ZINC000044412110 178026228 /nfs/dbraw/zinc/02/62/28/178026228.db2.gz XZVQPFYRAAQCDJ-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2cccc(F)c2F)on1 ZINC000044991324 178026580 /nfs/dbraw/zinc/02/65/80/178026580.db2.gz MAMILHGLAWAQAI-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2cscn2)ccc1F ZINC000070166590 178029167 /nfs/dbraw/zinc/02/91/67/178029167.db2.gz KQRTYHMOIHDJFU-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355825689 187324968 /nfs/dbraw/zinc/32/49/68/187324968.db2.gz IXDRJECZHZQOHM-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ccc(C)o2)on1 ZINC000044315357 178038147 /nfs/dbraw/zinc/03/81/47/178038147.db2.gz YVLNIOBCDZIMBQ-SNVBAGLBSA-N 1 2 220.272 2.735 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(C)cn2)o1 ZINC000649902555 398175725 /nfs/dbraw/zinc/17/57/25/398175725.db2.gz BIIIHOZZIJIEFY-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(C)cn2)o1 ZINC000649902555 398175728 /nfs/dbraw/zinc/17/57/28/398175728.db2.gz BIIIHOZZIJIEFY-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(C)cn2)o1 ZINC000649902556 398175871 /nfs/dbraw/zinc/17/58/71/398175871.db2.gz BIIIHOZZIJIEFY-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(C)cn2)o1 ZINC000649902556 398175874 /nfs/dbraw/zinc/17/58/74/398175874.db2.gz BIIIHOZZIJIEFY-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO CCCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000649882874 398164542 /nfs/dbraw/zinc/16/45/42/398164542.db2.gz FIWKPCCDARKXLI-UHFFFAOYSA-N 1 2 220.316 2.577 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)cc[nH+]1 ZINC000649882833 398164850 /nfs/dbraw/zinc/16/48/50/398164850.db2.gz DGPNCLMLECJXRX-ZIAGYGMSSA-N 1 2 244.338 2.577 20 0 BFADLO C[C@@H](Nc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000340018893 398187296 /nfs/dbraw/zinc/18/72/96/398187296.db2.gz FJLVKZWNSFAATM-SECBINFHSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@@H](Nc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000340018893 398187301 /nfs/dbraw/zinc/18/73/01/398187301.db2.gz FJLVKZWNSFAATM-SECBINFHSA-N 1 2 232.331 2.509 20 0 BFADLO CC[C@H]1C[C@@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000342054301 398187844 /nfs/dbraw/zinc/18/78/44/398187844.db2.gz ZDZIWNKELZECII-PWSUYJOCSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc(F)ccc1Nc1ccc(N)[nH+]c1 ZINC000020585675 178091311 /nfs/dbraw/zinc/09/13/11/178091311.db2.gz TXRUPIGGKIGTLX-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCO[C@H]1C ZINC000134093033 178095266 /nfs/dbraw/zinc/09/52/66/178095266.db2.gz KXTJDOZPKFLUBL-SMDDNHRTSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCOC[C@H]1C ZINC000280231968 178097172 /nfs/dbraw/zinc/09/71/72/178097172.db2.gz KKTLITQOEOCNBJ-DOMZBBRYSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCOC[C@H]1C ZINC000280231968 178097175 /nfs/dbraw/zinc/09/71/75/178097175.db2.gz KKTLITQOEOCNBJ-DOMZBBRYSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C2CCC(C)CC2)nc[nH+]1 ZINC000301239847 178097534 /nfs/dbraw/zinc/09/75/34/178097534.db2.gz LXUFKTIJTWVOGN-UHFFFAOYSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N(C)CC2CCC2)nc(C2CC2)[nH+]1 ZINC000341513055 178097594 /nfs/dbraw/zinc/09/75/94/178097594.db2.gz UAZXOPAEMXIODX-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1cc(N(C)C[C@@H]2CC=CCC2)nc[nH+]1 ZINC000302195216 178099120 /nfs/dbraw/zinc/09/91/20/178099120.db2.gz XEXZYIQWUHSSRH-GFCCVEGCSA-N 1 2 217.316 2.578 20 0 BFADLO CC[C@H]([NH2+][C@H](C)CCCOC)C(F)(F)F ZINC000336748114 398197759 /nfs/dbraw/zinc/19/77/59/398197759.db2.gz CJLCNVAGEGOJMM-BDAKNGLRSA-N 1 2 227.270 2.732 20 0 BFADLO Cc1cc(N)nc(SCc2ccccc2F)[nH+]1 ZINC000023290561 178109333 /nfs/dbraw/zinc/10/93/33/178109333.db2.gz NWBRTQZAZODIJM-UHFFFAOYSA-N 1 2 249.314 2.799 20 0 BFADLO Cc1cc(N)nc(S[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000272437239 178110078 /nfs/dbraw/zinc/11/00/78/178110078.db2.gz RYVQZHZFEGIUIW-IONNQARKSA-N 1 2 223.345 2.648 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C[C@@H](C)C2)nc[nH+]1 ZINC000301791553 178117524 /nfs/dbraw/zinc/11/75/24/178117524.db2.gz ZQTLVELBUMZCFG-GHMZBOCLSA-N 1 2 219.332 2.657 20 0 BFADLO CO[C@@H]1CCCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631097211 398201283 /nfs/dbraw/zinc/20/12/83/398201283.db2.gz SHBCGWVDZBFNSM-CQSZACIVSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000301791555 178118157 /nfs/dbraw/zinc/11/81/57/178118157.db2.gz ZQTLVELBUMZCFG-MNOVXSKESA-N 1 2 219.332 2.657 20 0 BFADLO FC(F)n1c(Cn2cc[nH+]c2)nc2ccccc21 ZINC000175519852 365560053 /nfs/dbraw/zinc/56/00/53/365560053.db2.gz IODYJRVTRXIPHY-UHFFFAOYSA-N 1 2 248.236 2.676 20 0 BFADLO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc(C2CC2)[nH+]1 ZINC000266192485 178122554 /nfs/dbraw/zinc/12/25/54/178122554.db2.gz BUKDITXXSHTMIF-TXEJJXNPSA-N 1 2 243.354 2.755 20 0 BFADLO Cc1cc(NC(=O)C(C)(Cl)Cl)cc[nH+]1 ZINC000182319784 178123512 /nfs/dbraw/zinc/12/35/12/178123512.db2.gz BCXUHHSJHDHPMM-UHFFFAOYSA-N 1 2 233.098 2.522 20 0 BFADLO Cc1cc(C[NH2+]C2(c3ccccc3F)CC2)on1 ZINC000271797409 538924765 /nfs/dbraw/zinc/92/47/65/538924765.db2.gz OLSRPJDDRMDVAA-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1ncc([C@H](C)Nc2ccc[nH+]c2C)c(C)n1 ZINC000272211680 538925602 /nfs/dbraw/zinc/92/56/02/538925602.db2.gz KPCGHLSFESBMLA-JTQLQIEISA-N 1 2 242.326 2.970 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC000162948681 538925964 /nfs/dbraw/zinc/92/59/64/538925964.db2.gz ZIVKWEPIGKZQAI-MWLCHTKSSA-N 1 2 208.305 2.534 20 0 BFADLO CCC(CC)C(=O)Nc1cc[nH+]cc1C ZINC000107291681 168341750 /nfs/dbraw/zinc/34/17/50/168341750.db2.gz SZIBIRBBQSLDNE-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000119632526 178142353 /nfs/dbraw/zinc/14/23/53/178142353.db2.gz MMNMUACPGLSUTQ-CABZTGNLSA-N 1 2 233.315 2.700 20 0 BFADLO CC(C)COc1ccccc1C[NH+]1CCOCC1 ZINC000338914479 187328936 /nfs/dbraw/zinc/32/89/36/187328936.db2.gz ZWZQTNMLVFHBRW-UHFFFAOYSA-N 1 2 249.354 2.554 20 0 BFADLO Cc1cc(NC2CC(F)(F)C2)nc(C2CC2)[nH+]1 ZINC000277192141 178152506 /nfs/dbraw/zinc/15/25/06/178152506.db2.gz OTUUKEBVIHPWDD-UHFFFAOYSA-N 1 2 239.269 2.872 20 0 BFADLO Cc1cc(NC2(CO)CCCC2)nc(C(C)C)[nH+]1 ZINC000053070958 178152862 /nfs/dbraw/zinc/15/28/62/178152862.db2.gz RHWHEAQIFOUWIH-UHFFFAOYSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc(NCCC2CCCC2)nc[nH+]1 ZINC000040727277 178158594 /nfs/dbraw/zinc/15/85/94/178158594.db2.gz KGKHUYKTBGCDHC-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1cc(NCC2CC2)nc(C(C)C)[nH+]1 ZINC000035234434 178158787 /nfs/dbraw/zinc/15/87/87/178158787.db2.gz STSXOGLEGCRMES-UHFFFAOYSA-N 1 2 205.305 2.730 20 0 BFADLO Cc1cc(NCCO[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000110212978 178161852 /nfs/dbraw/zinc/16/18/52/178161852.db2.gz QNWPVKGSPLLXFD-AAEUAGOBSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(NCCOCC2CC2)nc(C2CC2)[nH+]1 ZINC000265302001 178162115 /nfs/dbraw/zinc/16/21/15/178162115.db2.gz DBDJXFIJUQRIHN-UHFFFAOYSA-N 1 2 247.342 2.501 20 0 BFADLO Cc1cc(NCCc2ccc(F)cc2)nc[nH+]1 ZINC000040727010 178163039 /nfs/dbraw/zinc/16/30/39/178163039.db2.gz JEYTZPSIIFMLJG-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1cc(NC[C@@H]2C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000265300679 178167698 /nfs/dbraw/zinc/16/76/98/178167698.db2.gz CXSWCOIQXPDOKW-KWQFWETISA-N 1 2 217.316 2.730 20 0 BFADLO Cc1cc(N[C@H]2CC3CCC2CC3)nc[nH+]1 ZINC000309842378 178189197 /nfs/dbraw/zinc/18/91/97/178189197.db2.gz DYUVGKXWUMJPJN-MCIGGMRASA-N 1 2 217.316 2.776 20 0 BFADLO Cc1cc(N[C@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000267232310 178189272 /nfs/dbraw/zinc/18/92/72/178189272.db2.gz VYYBVDLRPNZLIB-NSHDSACASA-N 1 2 249.383 2.970 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000035238231 178179098 /nfs/dbraw/zinc/17/90/98/178179098.db2.gz GASLCZJNCIQSTL-NWDGAFQWSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc([NH2+][C@@H](C)[C@@H]2CCOC2)ccc1N(C)C ZINC000182850359 178179226 /nfs/dbraw/zinc/17/92/26/178179226.db2.gz FCSWBUSDORTJIL-QWHCGFSZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCOC2)ccc1[NH+](C)C ZINC000182850359 178179228 /nfs/dbraw/zinc/17/92/28/178179228.db2.gz FCSWBUSDORTJIL-QWHCGFSZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000052291367 178183924 /nfs/dbraw/zinc/18/39/24/178183924.db2.gz FSXMRGDGMHDKPO-PSASIEDQSA-N 1 2 205.305 2.729 20 0 BFADLO Cc1cc(N[C@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000265386049 178184803 /nfs/dbraw/zinc/18/48/03/178184803.db2.gz SGJBCJHCFMJMFU-SECBINFHSA-N 1 2 217.316 2.873 20 0 BFADLO Cc1cc([NH2+][C@H](C)[C@@H]2CCOC2)ccc1N(C)C ZINC000182850379 178185239 /nfs/dbraw/zinc/18/52/39/178185239.db2.gz FCSWBUSDORTJIL-CHWSQXEVSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCOC2)ccc1[NH+](C)C ZINC000182850379 178185242 /nfs/dbraw/zinc/18/52/42/178185242.db2.gz FCSWBUSDORTJIL-CHWSQXEVSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@H](C)CCO)c2cccc(F)c2[nH+]1 ZINC000126855075 178185547 /nfs/dbraw/zinc/18/55/47/178185547.db2.gz YOMZREWBHPOYRN-SECBINFHSA-N 1 2 248.301 2.865 20 0 BFADLO Cc1cc(N[C@H]2C[C@H]2Cc2ccccc2)nc[nH+]1 ZINC000361090964 178192531 /nfs/dbraw/zinc/19/25/31/178192531.db2.gz ZFKBHYBBMIBCDL-KGLIPLIRSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1cc(-c2c[nH]c[nH+]2)ccc1O[C@@H]1CCOC1 ZINC000649427350 398228778 /nfs/dbraw/zinc/22/87/78/398228778.db2.gz KONDUAZGLSEAOM-GFCCVEGCSA-N 1 2 244.294 2.553 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421402348 192330293 /nfs/dbraw/zinc/33/02/93/192330293.db2.gz MQHZBZPNGBVWIV-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421402348 192330296 /nfs/dbraw/zinc/33/02/96/192330296.db2.gz MQHZBZPNGBVWIV-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Cc1cc(Sc2[nH+]cc3ccccn32)ncn1 ZINC000301242452 178220289 /nfs/dbraw/zinc/22/02/89/178220289.db2.gz MYBFFCSFBMKNMU-UHFFFAOYSA-N 1 2 242.307 2.584 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000334233223 136224312 /nfs/dbraw/zinc/22/43/12/136224312.db2.gz NZXREZPKKQWHRZ-NXEZZACHSA-N 1 2 201.260 2.825 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1[C@@H]1C=CCCC1 ZINC000334233223 136224313 /nfs/dbraw/zinc/22/43/13/136224313.db2.gz NZXREZPKKQWHRZ-NXEZZACHSA-N 1 2 201.260 2.825 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccn[nH]2)ccc1F ZINC000294934748 178229676 /nfs/dbraw/zinc/22/96/76/178229676.db2.gz HRFRUZMFCVXIEL-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000279098249 538935458 /nfs/dbraw/zinc/93/54/58/538935458.db2.gz VAZUTKNKKXZHIB-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000271801521 178252249 /nfs/dbraw/zinc/25/22/49/178252249.db2.gz PKEWVXVEYAEBJK-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cscn2)on1 ZINC000336509206 178265146 /nfs/dbraw/zinc/26/51/46/178265146.db2.gz KIQPSSZPFBPBQL-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cscn2)on1 ZINC000336509206 178265149 /nfs/dbraw/zinc/26/51/49/178265149.db2.gz KIQPSSZPFBPBQL-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cncs2)no1 ZINC000371396667 178265565 /nfs/dbraw/zinc/26/55/65/178265565.db2.gz SWJGMTRLBJGXKH-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cncs2)no1 ZINC000371396667 178265567 /nfs/dbraw/zinc/26/55/67/178265567.db2.gz SWJGMTRLBJGXKH-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H](C)CCc1ccco1 ZINC000576887365 398242881 /nfs/dbraw/zinc/24/28/81/398242881.db2.gz UJMRNMVQUJKYJB-LLVKDONJSA-N 1 2 245.326 2.542 20 0 BFADLO Cc1nn(C)cc1-c1ccc2c(c1)[nH+]c(C)n2C ZINC000649442275 398247688 /nfs/dbraw/zinc/24/76/88/398247688.db2.gz HHKIYWKWWJZESG-UHFFFAOYSA-N 1 2 240.310 2.591 20 0 BFADLO Cc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286206815 538943432 /nfs/dbraw/zinc/94/34/32/538943432.db2.gz ROVPYTUMFSTEQL-JTQLQIEISA-N 1 2 201.273 2.891 20 0 BFADLO CCC(CC)CNc1ccc(N(C)C)c[nH+]1 ZINC000125756802 168366773 /nfs/dbraw/zinc/36/67/73/168366773.db2.gz TUQVPHOLCNKNGO-UHFFFAOYSA-N 1 2 221.348 2.996 20 0 BFADLO CCc1cc(N)nc(S[C@H]2C=CCCC2)[nH+]1 ZINC000309302959 259312195 /nfs/dbraw/zinc/31/21/95/259312195.db2.gz URIOBJSFKLCFCP-JTQLQIEISA-N 1 2 235.356 2.822 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccon2)s1 ZINC000077279094 398255622 /nfs/dbraw/zinc/25/56/22/398255622.db2.gz JXPNKZJBNVDZQN-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccon2)s1 ZINC000077279094 398255626 /nfs/dbraw/zinc/25/56/26/398255626.db2.gz JXPNKZJBNVDZQN-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)c(C)[nH+]1 ZINC000176186608 365685710 /nfs/dbraw/zinc/68/57/10/365685710.db2.gz DPLKLXFIVAXCOJ-UHFFFAOYSA-N 1 2 249.701 2.932 20 0 BFADLO CC(C)[C@H](NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000078070086 398272471 /nfs/dbraw/zinc/27/24/71/398272471.db2.gz JBXDMAZUZGPYFJ-VIFPVBQESA-N 1 2 239.319 2.632 20 0 BFADLO CC(C)c1nc(C[NH+](C(C)C)C(C)C)no1 ZINC000180453179 538958158 /nfs/dbraw/zinc/95/81/58/538958158.db2.gz UBKXMVJDCTVEQG-UHFFFAOYSA-N 1 2 225.336 2.812 20 0 BFADLO CCc1cc(N)nc(S[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000378862008 346848194 /nfs/dbraw/zinc/84/81/94/346848194.db2.gz SCPCUSKQNXRHSB-WPRPVWTQSA-N 1 2 237.372 2.732 20 0 BFADLO Cc1cc(NC(=O)N(C)CCC(C)C)cc[nH+]1 ZINC000179813545 538956479 /nfs/dbraw/zinc/95/64/79/538956479.db2.gz YRGCCQNRVDPHOT-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO C[N@@H+](Cc1cc2n(n1)CCC2)Cc1cccs1 ZINC000649480666 398278105 /nfs/dbraw/zinc/27/81/05/398278105.db2.gz OBLPCUWOFAZEBB-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO C[N@H+](Cc1cc2n(n1)CCC2)Cc1cccs1 ZINC000649480666 398278107 /nfs/dbraw/zinc/27/81/07/398278107.db2.gz OBLPCUWOFAZEBB-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCC(CC)NC(=O)Nc1cc[nH+]cc1C ZINC000179841084 168381320 /nfs/dbraw/zinc/38/13/20/168381320.db2.gz MKIILDNASLJLGL-UHFFFAOYSA-N 1 2 221.304 2.700 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1F ZINC000182067602 538961673 /nfs/dbraw/zinc/96/16/73/538961673.db2.gz PCBZIABRZHQVCP-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Clc1cscc1C[NH2+]Cc1cocn1 ZINC000379570565 538978291 /nfs/dbraw/zinc/97/82/91/538978291.db2.gz CWCGRKAGMULKHH-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO c1cc(NC[C@H]2CCCC23CC3)nc(C2CC2)[nH+]1 ZINC000624756736 342825308 /nfs/dbraw/zinc/82/53/08/342825308.db2.gz GVVSCZMAMMCOAJ-GFCCVEGCSA-N 1 2 243.354 2.768 20 0 BFADLO CCCOc1cncc(-c2c[nH+]c(C)n2C)c1 ZINC000630051624 361914505 /nfs/dbraw/zinc/91/45/05/361914505.db2.gz BXACHTFYWOKJAH-UHFFFAOYSA-N 1 2 231.299 2.579 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccon1 ZINC000172908672 346865325 /nfs/dbraw/zinc/86/53/25/346865325.db2.gz RRHSUISAWBTQMS-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccon1 ZINC000172908672 346865326 /nfs/dbraw/zinc/86/53/26/346865326.db2.gz RRHSUISAWBTQMS-LLVKDONJSA-N 1 2 228.295 2.621 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C)nc1)C(F)F ZINC000449364183 398290913 /nfs/dbraw/zinc/29/09/13/398290913.db2.gz RHRBIBDSMWSXGS-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]CC(F)F ZINC000379932930 538982410 /nfs/dbraw/zinc/98/24/10/538982410.db2.gz PPDSDBCEOAIFEL-QMMMGPOBSA-N 1 2 214.259 2.560 20 0 BFADLO Oc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000381557714 539003525 /nfs/dbraw/zinc/00/35/25/539003525.db2.gz PSUVGJPNAOTYJZ-NSHDSACASA-N 1 2 227.254 2.670 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)nc1 ZINC000381413053 539000271 /nfs/dbraw/zinc/00/02/71/539000271.db2.gz VCMFJPSIDDTDNG-NSHDSACASA-N 1 2 226.270 2.667 20 0 BFADLO CC(C)=CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000390375415 539021693 /nfs/dbraw/zinc/02/16/93/539021693.db2.gz XLQDXQPLTMOFJI-UHFFFAOYSA-N 1 2 215.300 2.619 20 0 BFADLO Clc1ccsc1C[NH2+]Cc1cocn1 ZINC000388842316 539015694 /nfs/dbraw/zinc/01/56/94/539015694.db2.gz WOADXGLTBWNGNA-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO CC1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625063601 342847926 /nfs/dbraw/zinc/84/79/26/342847926.db2.gz UCLJGJOJHGZEHH-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CCC[C@@H](C)CCCN1CC[NH+](C2CC2)CC1 ZINC000625109390 342861121 /nfs/dbraw/zinc/86/11/21/342861121.db2.gz YKAODWSQPPZLIL-CQSZACIVSA-N 1 2 238.419 2.983 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625203293 342909418 /nfs/dbraw/zinc/90/94/18/342909418.db2.gz HTRDLEBVVWQVGJ-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625203293 342909419 /nfs/dbraw/zinc/90/94/19/342909419.db2.gz HTRDLEBVVWQVGJ-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000505604230 529413782 /nfs/dbraw/zinc/41/37/82/529413782.db2.gz DWDATJWVYMXFCJ-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000505604230 529413785 /nfs/dbraw/zinc/41/37/85/529413785.db2.gz DWDATJWVYMXFCJ-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H](NC(=O)/C=C\C(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590361 529457344 /nfs/dbraw/zinc/45/73/44/529457344.db2.gz DTPLGJNIUNVLSL-GFVADAIESA-N 1 2 235.331 2.579 20 0 BFADLO CC[C@H](NC(=O)C=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590361 529457346 /nfs/dbraw/zinc/45/73/46/529457346.db2.gz DTPLGJNIUNVLSL-GFVADAIESA-N 1 2 235.331 2.579 20 0 BFADLO Cn1cc[nH+]c1CNc1ccsc1Cl ZINC000189521995 346895497 /nfs/dbraw/zinc/89/54/97/346895497.db2.gz TYVNRFDGOXIHSZ-UHFFFAOYSA-N 1 2 227.720 2.747 20 0 BFADLO CC(C)(C)c1nc(NCCn2cccc2)cc[nH+]1 ZINC000301607899 187206070 /nfs/dbraw/zinc/20/60/70/187206070.db2.gz ZPTVHUAPHRJVKN-UHFFFAOYSA-N 1 2 244.342 2.688 20 0 BFADLO CC(C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301428930 187206242 /nfs/dbraw/zinc/20/62/42/187206242.db2.gz NEEIFRDCWXXDKT-LBPRGKRZSA-N 1 2 204.317 2.954 20 0 BFADLO CO[C@H]1CCCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000301153053 536710657 /nfs/dbraw/zinc/71/06/57/536710657.db2.gz LMXLVRAWIQLMBD-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625249169 342968778 /nfs/dbraw/zinc/96/87/78/342968778.db2.gz DZVQHAKFDZUPIP-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625249169 342968780 /nfs/dbraw/zinc/96/87/80/342968780.db2.gz DZVQHAKFDZUPIP-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000493371147 529572524 /nfs/dbraw/zinc/57/25/24/529572524.db2.gz QJFBNWJUBWEJTP-SBDDDAINSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000355981097 187212938 /nfs/dbraw/zinc/21/29/38/187212938.db2.gz DACANIQMBMYLIX-JSGCOSHPSA-N 1 2 246.354 2.967 20 0 BFADLO Clc1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000306273861 259337726 /nfs/dbraw/zinc/33/77/26/259337726.db2.gz CFKMUCQPGYOADA-UHFFFAOYSA-N 1 2 213.693 2.737 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCCCCF ZINC000361824654 187218927 /nfs/dbraw/zinc/21/89/27/187218927.db2.gz POFVTIRSIAYGOZ-UHFFFAOYSA-N 1 2 239.294 2.570 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000505601130 529636520 /nfs/dbraw/zinc/63/65/20/529636520.db2.gz CWDUKAPZUZBNFL-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000505601130 529636525 /nfs/dbraw/zinc/63/65/25/529636525.db2.gz CWDUKAPZUZBNFL-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CC[N@H+](CCSC)CC(F)(F)CC ZINC000602851984 349786586 /nfs/dbraw/zinc/78/65/86/349786586.db2.gz ZKDNEXSCLVUXER-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO CC[N@@H+](CCSC)CC(F)(F)CC ZINC000602851984 349786588 /nfs/dbraw/zinc/78/65/88/349786588.db2.gz ZKDNEXSCLVUXER-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO CCc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000492767093 529665101 /nfs/dbraw/zinc/66/51/01/529665101.db2.gz NIJJRKWJDVWLKE-BQYQJAHWSA-N 1 2 241.294 2.624 20 0 BFADLO Cc1cc(CNC(=O)CCC2CC2)cc(C)[nH+]1 ZINC000421580060 192356182 /nfs/dbraw/zinc/35/61/82/192356182.db2.gz VLNFIHMCEDCCEA-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CC[C@@H](C)C[C@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000394451658 259354234 /nfs/dbraw/zinc/35/42/34/259354234.db2.gz GVYSJOBHHXWHMP-OCCSQVGLSA-N 1 2 249.354 2.754 20 0 BFADLO CC(C)[NH+](Cc1noc(C2CCC2)n1)C(C)C ZINC000625285981 343221183 /nfs/dbraw/zinc/22/11/83/343221183.db2.gz GORCZSIYOQSEPA-UHFFFAOYSA-N 1 2 237.347 2.956 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000625344120 343239883 /nfs/dbraw/zinc/23/98/83/343239883.db2.gz RCVVRHPFFPQKPR-JQWIXIFHSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000625344120 343239884 /nfs/dbraw/zinc/23/98/84/343239884.db2.gz RCVVRHPFFPQKPR-JQWIXIFHSA-N 1 2 247.342 2.712 20 0 BFADLO Cc1[nH+]cccc1Cn1cc(/C=C/C(C)C)nn1 ZINC000641050518 362159175 /nfs/dbraw/zinc/15/91/75/362159175.db2.gz CFXZXGVTYKWVTJ-VOTSOKGWSA-N 1 2 242.326 2.699 20 0 BFADLO CCOc1cccc(NCc2[nH+]ccn2CC)c1 ZINC000051923788 343279166 /nfs/dbraw/zinc/27/91/66/343279166.db2.gz RLFDRAZEXRFWMM-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO CN(C)c1ccc(NCc2ccsc2)c[nH+]1 ZINC000036988871 343329625 /nfs/dbraw/zinc/32/96/25/343329625.db2.gz JKBLJQJSPOSCBX-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000038011179 343365519 /nfs/dbraw/zinc/36/55/19/343365519.db2.gz GJAOVQQVGBVWHQ-CQSZACIVSA-N 1 2 229.327 2.959 20 0 BFADLO CCO[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000625394269 343376750 /nfs/dbraw/zinc/37/67/50/343376750.db2.gz QYBGWJDDPXZWHG-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000625394269 343376753 /nfs/dbraw/zinc/37/67/53/343376753.db2.gz QYBGWJDDPXZWHG-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CC1=C(C(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC000335676913 136318930 /nfs/dbraw/zinc/31/89/30/136318930.db2.gz UNKVMNQYBRYZDG-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000335663883 136316070 /nfs/dbraw/zinc/31/60/70/136316070.db2.gz SMAVHLQRLNEGGQ-CQSZACIVSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000335663883 136316071 /nfs/dbraw/zinc/31/60/71/136316071.db2.gz SMAVHLQRLNEGGQ-CQSZACIVSA-N 1 2 227.311 2.665 20 0 BFADLO CC(C)c1nc(NCC(C2CC2)C2CC2)cc[nH+]1 ZINC000525707944 259359535 /nfs/dbraw/zinc/35/95/35/259359535.db2.gz APQQXBVDMSQCHT-UHFFFAOYSA-N 1 2 245.370 2.870 20 0 BFADLO CC(C)(C)CNc1ccc(-n2cc[nH+]c2)nc1 ZINC000041120470 343415436 /nfs/dbraw/zinc/41/54/36/343415436.db2.gz BTCHTIIDTJXDAE-UHFFFAOYSA-N 1 2 230.315 2.725 20 0 BFADLO Cc1cn2cc(NC(=O)C(C)(C)C)ccc2[nH+]1 ZINC000041304848 343419006 /nfs/dbraw/zinc/41/90/06/343419006.db2.gz DXRUKFQTMBFJSR-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)no1 ZINC000335732825 136349467 /nfs/dbraw/zinc/34/94/67/136349467.db2.gz YZJYQILKVHZIOO-SMDDNHRTSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)no1 ZINC000335732825 136349468 /nfs/dbraw/zinc/34/94/68/136349468.db2.gz YZJYQILKVHZIOO-SMDDNHRTSA-N 1 2 249.358 2.644 20 0 BFADLO Cn1c[nH+]cc1COc1cccc(Cl)c1F ZINC000335892046 136359078 /nfs/dbraw/zinc/35/90/78/136359078.db2.gz DKCULFBVGCNWDG-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335897835 136359557 /nfs/dbraw/zinc/35/95/57/136359557.db2.gz SMOREWLMVHOLOB-SECBINFHSA-N 1 2 235.331 2.927 20 0 BFADLO CCCC1(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC000350479331 136361064 /nfs/dbraw/zinc/36/10/64/136361064.db2.gz NUXYEZWUVMKIJX-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CCn1cc(C[NH2+][C@@H](C)CC2CCCC2)cn1 ZINC000353978717 136361778 /nfs/dbraw/zinc/36/17/78/136361778.db2.gz MYJDZQPZVKCSMV-LBPRGKRZSA-N 1 2 235.375 2.961 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000351107759 136368035 /nfs/dbraw/zinc/36/80/35/136368035.db2.gz PVRUVONCTJYGDR-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000351107759 136368036 /nfs/dbraw/zinc/36/80/36/136368036.db2.gz PVRUVONCTJYGDR-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1F ZINC000351579418 136369577 /nfs/dbraw/zinc/36/95/77/136369577.db2.gz IWIPUEYDIQKQAY-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO CCc1ccc(CNc2c[nH+]ccc2OC)cn1 ZINC000351606683 136369892 /nfs/dbraw/zinc/36/98/92/136369892.db2.gz GLGXSKZDVMPPSO-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO CCCCC[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000042571895 343443740 /nfs/dbraw/zinc/44/37/40/343443740.db2.gz LSSKWJRODNNWHQ-SNVBAGLBSA-N 1 2 247.346 2.744 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)CCOC)cc1 ZINC000045017373 343521068 /nfs/dbraw/zinc/52/10/68/343521068.db2.gz AQWRSQWZVBBYOF-NSHDSACASA-N 1 2 223.316 2.922 20 0 BFADLO CCc1noc(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC000076797268 343541367 /nfs/dbraw/zinc/54/13/67/343541367.db2.gz XMMKUKYDTQLQMC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000076797268 343541371 /nfs/dbraw/zinc/54/13/71/343541371.db2.gz XMMKUKYDTQLQMC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162699416 343545116 /nfs/dbraw/zinc/54/51/16/343545116.db2.gz LRCCETOWGAAOOG-CABZTGNLSA-N 1 2 241.294 2.671 20 0 BFADLO Cc1ccc(C)c(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000279231320 187341631 /nfs/dbraw/zinc/34/16/31/187341631.db2.gz OZVIYGQRYIMQTP-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CCCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421564383 192362599 /nfs/dbraw/zinc/36/25/99/192362599.db2.gz YYADFFOCCWMQEU-UHFFFAOYSA-N 1 2 234.343 2.895 20 0 BFADLO Cc1cc(CNC(=O)CC(C)(C)C)cc(C)[nH+]1 ZINC000421564410 192362874 /nfs/dbraw/zinc/36/28/74/192362874.db2.gz ZCBBWIFIBLFESF-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000083381226 343591966 /nfs/dbraw/zinc/59/19/66/343591966.db2.gz SNXVAQVMRGKRHZ-ZDUSSCGKSA-N 1 2 249.354 2.672 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(C)c(C)n2)s1 ZINC000313781089 259365980 /nfs/dbraw/zinc/36/59/80/259365980.db2.gz AUSFFLMRVVGTRQ-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574177 192363949 /nfs/dbraw/zinc/36/39/49/192363949.db2.gz DTQGNAITOWLIQR-GXFFZTMASA-N 1 2 248.370 2.997 20 0 BFADLO FCC1(Nc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000577058772 365797497 /nfs/dbraw/zinc/79/74/97/365797497.db2.gz YGIAMCFOHGNSPN-UHFFFAOYSA-N 1 2 221.279 2.658 20 0 BFADLO Cn1ccnc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000057592325 343690895 /nfs/dbraw/zinc/69/08/95/343690895.db2.gz JDYKOBRHUUVFPM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ccnc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000057592325 343690897 /nfs/dbraw/zinc/69/08/97/343690897.db2.gz JDYKOBRHUUVFPM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CN(Cc1[nH+]ccn1C)Cc1cccc(Cl)c1 ZINC000057592325 343690900 /nfs/dbraw/zinc/69/09/00/343690900.db2.gz JDYKOBRHUUVFPM-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CC[N@H+](Cc1nc(C)no1)Cc1ccccc1C ZINC000048059005 343707150 /nfs/dbraw/zinc/70/71/50/343707150.db2.gz RLBDCAHSEPOTEU-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nc(C)no1)Cc1ccccc1C ZINC000048059005 343707152 /nfs/dbraw/zinc/70/71/52/343707152.db2.gz RLBDCAHSEPOTEU-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC1=CCC[C@@H](C)[C@H]1CNc1c[nH]c[nH+]1 ZINC000380131348 343681768 /nfs/dbraw/zinc/68/17/68/343681768.db2.gz SWTWFYORQMBNSU-MNOVXSKESA-N 1 2 205.305 2.814 20 0 BFADLO CCCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000584181208 343770129 /nfs/dbraw/zinc/77/01/29/343770129.db2.gz RQGKQWLZFGMDKP-UHFFFAOYSA-N 1 2 245.326 2.515 20 0 BFADLO Cc1nc(N2CC3(CCC3)[C@H]2C(C)C)cc[nH+]1 ZINC000291823605 187349664 /nfs/dbraw/zinc/34/96/64/187349664.db2.gz KVRFZKMUOBANLY-CYBMUJFWSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nc(C)c(C)o2)o1 ZINC000064031147 343755374 /nfs/dbraw/zinc/75/53/74/343755374.db2.gz KFMZKHFEZNUJGI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nc(C)c(C)o2)o1 ZINC000064031147 343755378 /nfs/dbraw/zinc/75/53/78/343755378.db2.gz KFMZKHFEZNUJGI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Fc1ccc(-c2cnc(Cn3cc[nH+]c3)o2)cc1 ZINC000029594335 343765172 /nfs/dbraw/zinc/76/51/72/343765172.db2.gz UVUSDTQVEPIMEI-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO c1ccc(NC[C@@H]2Cc3ccccc3CO2)[nH+]c1 ZINC000624440138 343876047 /nfs/dbraw/zinc/87/60/47/343876047.db2.gz VJOBYYNOVVIIGE-AWEZNQCLSA-N 1 2 240.306 2.635 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625473541 343873259 /nfs/dbraw/zinc/87/32/59/343873259.db2.gz VRMXDSLWNCFRJQ-SNVBAGLBSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625473541 343873261 /nfs/dbraw/zinc/87/32/61/343873261.db2.gz VRMXDSLWNCFRJQ-SNVBAGLBSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)[C@H](N[C@@H](C)c1[nH]cc[nH+]1)C(F)(F)F ZINC000336738153 537834502 /nfs/dbraw/zinc/83/45/02/537834502.db2.gz KBRUWJGAMYLSNQ-YUMQZZPRSA-N 1 2 235.253 2.647 20 0 BFADLO COC(=O)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000180093013 347013647 /nfs/dbraw/zinc/01/36/47/347013647.db2.gz CIQZCCMYNIHQFE-AWEZNQCLSA-N 1 2 249.354 2.845 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)C(C)(C)C ZINC000625508618 343914052 /nfs/dbraw/zinc/91/40/52/343914052.db2.gz COXGYRYOHCSXKP-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)C(C)(C)C ZINC000625508618 343914054 /nfs/dbraw/zinc/91/40/54/343914054.db2.gz COXGYRYOHCSXKP-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@H](C)[N@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625528458 343918326 /nfs/dbraw/zinc/91/83/26/343918326.db2.gz CURJBTDPYNNALM-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@H](C)[N@@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625528458 343918327 /nfs/dbraw/zinc/91/83/27/343918327.db2.gz CURJBTDPYNNALM-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000628119999 343968774 /nfs/dbraw/zinc/96/87/74/343968774.db2.gz SVOCVRWSZSQSMT-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000628119999 343968775 /nfs/dbraw/zinc/96/87/75/343968775.db2.gz SVOCVRWSZSQSMT-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727487 344058725 /nfs/dbraw/zinc/05/87/25/344058725.db2.gz XYRPNOMVHNWNKJ-LLVKDONJSA-N 1 2 240.306 2.864 20 0 BFADLO C[C@H](c1ccncc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727487 344058726 /nfs/dbraw/zinc/05/87/26/344058726.db2.gz XYRPNOMVHNWNKJ-LLVKDONJSA-N 1 2 240.306 2.864 20 0 BFADLO Nc1cc(-c2ccc3ccccc3n2)cc[nH+]1 ZINC000082729977 187282373 /nfs/dbraw/zinc/28/23/73/187282373.db2.gz OFUDOEXVLMTBIN-UHFFFAOYSA-N 1 2 221.263 2.879 20 0 BFADLO Cc1ccccc1CCNc1cc(CO)cc[nH+]1 ZINC000641261951 362337436 /nfs/dbraw/zinc/33/74/36/362337436.db2.gz VVMYCDZMVRLSMM-UHFFFAOYSA-N 1 2 242.322 2.537 20 0 BFADLO C[C@H](Cc1cccs1)Nc1cc[nH+]cc1F ZINC000641285974 362345716 /nfs/dbraw/zinc/34/57/16/362345716.db2.gz NVFMEEHBQAWZLA-SECBINFHSA-N 1 2 236.315 2.747 20 0 BFADLO C[C@@H]1CCC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641286360 362345746 /nfs/dbraw/zinc/34/57/46/362345746.db2.gz XPXDRBUTVWUJBX-PWSUYJOCSA-N 1 2 220.316 2.565 20 0 BFADLO C[C@H]1CCC[C@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641286357 362345880 /nfs/dbraw/zinc/34/58/80/362345880.db2.gz XPXDRBUTVWUJBX-JQWIXIFHSA-N 1 2 220.316 2.565 20 0 BFADLO C[C@H](Cc1cccs1)Nc1cc(CO)cc[nH+]1 ZINC000641286042 362346126 /nfs/dbraw/zinc/34/61/26/362346126.db2.gz PKVFNOJIZDGUDC-SNVBAGLBSA-N 1 2 248.351 2.679 20 0 BFADLO Cc1ncc(CN(C)c2cc[nH+]cc2F)s1 ZINC000641302282 362353823 /nfs/dbraw/zinc/35/38/23/362353823.db2.gz NKZKAIRGLHTEEI-UHFFFAOYSA-N 1 2 237.303 2.622 20 0 BFADLO C(c1nnc(C2CC2)s1)[NH+](C1CC1)C1CC1 ZINC000625840894 344091753 /nfs/dbraw/zinc/09/17/53/344091753.db2.gz FTGATKDFRSOPQY-UHFFFAOYSA-N 1 2 235.356 2.542 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccco2)o1 ZINC000628132255 344166448 /nfs/dbraw/zinc/16/64/48/344166448.db2.gz ASGKEGMEDPGYFN-SECBINFHSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@H](C)c2ccco2)o1 ZINC000628132255 344166450 /nfs/dbraw/zinc/16/64/50/344166450.db2.gz ASGKEGMEDPGYFN-SECBINFHSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1[nH]c(CN(C)[C@H](C)c2ccco2)[nH+]c1C ZINC000628132839 344169520 /nfs/dbraw/zinc/16/95/20/344169520.db2.gz PLIZELXKBAZKFS-LLVKDONJSA-N 1 2 233.315 2.813 20 0 BFADLO C[C@@H](Cc1ccsc1)Nc1cc(CO)cc[nH+]1 ZINC000641303858 362357280 /nfs/dbraw/zinc/35/72/80/362357280.db2.gz LAQIDUMMHUDWNR-JTQLQIEISA-N 1 2 248.351 2.679 20 0 BFADLO Cc1nc(NCc2ncc(C(C)(C)C)o2)cc[nH+]1 ZINC000080674206 344132111 /nfs/dbraw/zinc/13/21/11/344132111.db2.gz NMSHBEBOISFONB-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO c1cc2[nH+]ccc(N[C@H]3CCCC34CC4)c2cn1 ZINC000631418931 344203367 /nfs/dbraw/zinc/20/33/67/344203367.db2.gz OSBSHMCXUOSESB-AWEZNQCLSA-N 1 2 239.322 2.796 20 0 BFADLO Cc1scc(CNc2ccc(CO)c[nH+]2)c1C ZINC000631143286 344255308 /nfs/dbraw/zinc/25/53/08/344255308.db2.gz PXQOFTBLMMGBNM-UHFFFAOYSA-N 1 2 248.351 2.864 20 0 BFADLO CN(C)c1ccc(CSCC2CC2)c[nH+]1 ZINC000600560201 344272667 /nfs/dbraw/zinc/27/26/67/344272667.db2.gz WZFKZKWHERGGDJ-UHFFFAOYSA-N 1 2 222.357 2.791 20 0 BFADLO Cc1ccc(C[S@@](=O)CCC(C)C)c(C)[nH+]1 ZINC000357850448 178653280 /nfs/dbraw/zinc/65/32/80/178653280.db2.gz XSKMARVHOXXDBC-INIZCTEOSA-N 1 2 239.384 2.993 20 0 BFADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C1CCCCC1 ZINC000641391597 362389362 /nfs/dbraw/zinc/38/93/62/362389362.db2.gz APOAQHSRUVYAFN-LLVKDONJSA-N 1 2 234.343 2.955 20 0 BFADLO CCCC[C@@H]([NH2+]Cc1cccs1)C(=O)OC ZINC000041053431 344416461 /nfs/dbraw/zinc/41/64/61/344416461.db2.gz AXTJKJQAZQJXNE-LLVKDONJSA-N 1 2 241.356 2.570 20 0 BFADLO CS[C@H]1CCCCN(c2cc[nH+]cc2F)C1 ZINC000603320719 349909880 /nfs/dbraw/zinc/90/98/80/349909880.db2.gz SKJJZKALNYOATD-JTQLQIEISA-N 1 2 240.347 2.943 20 0 BFADLO Cc1nc(C[NH2+]Cc2cnc(C)s2)cs1 ZINC000042243960 344446502 /nfs/dbraw/zinc/44/65/02/344446502.db2.gz QWCLXJBKTDPRKS-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CC(C)Cc1ncc(CNc2c[nH]c[nH+]2)s1 ZINC000381039286 344472830 /nfs/dbraw/zinc/47/28/30/344472830.db2.gz DIIXYGQWZPDDCY-UHFFFAOYSA-N 1 2 236.344 2.677 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1C)C(=O)OC ZINC000105994066 344472838 /nfs/dbraw/zinc/47/28/38/344472838.db2.gz FKKPFKKUERUPGQ-DGCLKSJQSA-N 1 2 235.327 2.597 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC000641401139 362394622 /nfs/dbraw/zinc/39/46/22/362394622.db2.gz XISNRJRVYFYRIM-MELADBBJSA-N 1 2 246.354 2.955 20 0 BFADLO COc1ccc[nH+]c1NCCCOCC(C)C ZINC000234948856 344494039 /nfs/dbraw/zinc/49/40/39/344494039.db2.gz XDZFWZIFNCLITB-UHFFFAOYSA-N 1 2 238.331 2.565 20 0 BFADLO Fc1cc(C[NH2+]Cc2cocn2)ccc1Cl ZINC000381621618 344527491 /nfs/dbraw/zinc/52/74/91/344527491.db2.gz CGTCIBVFZCLPSA-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO OCc1cc[nH+]c(N[C@H]2CCCC(F)(F)C2)c1 ZINC000641446534 362423675 /nfs/dbraw/zinc/42/36/75/362423675.db2.gz CHKQHZVKRZIXBR-JTQLQIEISA-N 1 2 242.269 2.564 20 0 BFADLO Fc1c[nH+]ccc1NC1CCC(F)(F)CC1 ZINC000641465623 362438923 /nfs/dbraw/zinc/43/89/23/362438923.db2.gz GZVXQXZPUVDVQU-UHFFFAOYSA-N 1 2 230.233 2.632 20 0 BFADLO CC(C)C[C@@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000641431837 362414308 /nfs/dbraw/zinc/41/43/08/362414308.db2.gz COHODBPRNUMJHR-AWEZNQCLSA-N 1 2 248.370 2.979 20 0 BFADLO CC[C@H]1CC[C@H](C)N1c1cc[nH+]cc1F ZINC000641477161 362446660 /nfs/dbraw/zinc/44/66/60/362446660.db2.gz VZFRBGOCLFFKFM-UWVGGRQHSA-N 1 2 208.280 2.988 20 0 BFADLO C[C@@H]1CCN(c2cc(CO)cc[nH+]2)CC12CCC2 ZINC000641479919 362448942 /nfs/dbraw/zinc/44/89/42/362448942.db2.gz WJKNCNLLBWPXDK-GFCCVEGCSA-N 1 2 246.354 2.590 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc[nH+]cc1F ZINC000641545999 362494157 /nfs/dbraw/zinc/49/41/57/362494157.db2.gz SEZKKTATAXLRKJ-HTQZYQBOSA-N 1 2 248.223 2.998 20 0 BFADLO c1cnn([C@@H]2CCCC[C@H]2Nc2cccc[nH+]2)c1 ZINC000074775895 344758932 /nfs/dbraw/zinc/75/89/32/344758932.db2.gz FXDCWOXXJQSFEM-CHWSQXEVSA-N 1 2 242.326 2.874 20 0 BFADLO Cc1nc(N2CC[C@@H](CC(C)C)C2)cc[nH+]1 ZINC000075061241 344764239 /nfs/dbraw/zinc/76/42/39/344764239.db2.gz BCMZVSOKYKSMNZ-LBPRGKRZSA-N 1 2 219.332 2.657 20 0 BFADLO COc1ccc([C@H](C)[NH2+]CC(F)F)cc1F ZINC000147424914 537856098 /nfs/dbraw/zinc/85/60/98/537856098.db2.gz LVSGZKNUMZKMHE-ZETCQYMHSA-N 1 2 233.233 2.750 20 0 BFADLO CC(C)c1nc(NC[C@@H](C)C(C)C)cc[nH+]1 ZINC000390126451 259380792 /nfs/dbraw/zinc/38/07/92/259380792.db2.gz IBYBBEBNJOVEDJ-LLVKDONJSA-N 1 2 221.348 2.726 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000076112335 344796213 /nfs/dbraw/zinc/79/62/13/344796213.db2.gz IMANVQBCQSTOBT-PHIMTYICSA-N 1 2 237.347 2.500 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@H](C)[C@H](C)C2)no1 ZINC000076112335 344796214 /nfs/dbraw/zinc/79/62/14/344796214.db2.gz IMANVQBCQSTOBT-PHIMTYICSA-N 1 2 237.347 2.500 20 0 BFADLO c1ccc([C@H]2CN(c3cccc[nH+]3)CCO2)cc1 ZINC000076605866 344804837 /nfs/dbraw/zinc/80/48/37/344804837.db2.gz FDISUIUPUQRUCN-CQSZACIVSA-N 1 2 240.306 2.660 20 0 BFADLO CC(C)[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(F)(F)F ZINC000390159069 259381424 /nfs/dbraw/zinc/38/14/24/259381424.db2.gz YOUAFDOTLDMLRU-GUBZILKMSA-N 1 2 239.281 2.730 20 0 BFADLO Cc1nc(NCCc2cccc(F)c2F)cc[nH+]1 ZINC000078252730 344837596 /nfs/dbraw/zinc/83/75/96/344837596.db2.gz DNVBCKYGSFYNDH-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1nc(N2CCCCC[C@@H]2C)cc[nH+]1 ZINC000078260816 344838219 /nfs/dbraw/zinc/83/82/19/344838219.db2.gz QIMBKGXIDPTHCM-JTQLQIEISA-N 1 2 205.305 2.554 20 0 BFADLO Cc1nc(NC[C@@H](C)Oc2ccccc2)cc[nH+]1 ZINC000078259581 344839591 /nfs/dbraw/zinc/83/95/91/344839591.db2.gz BMYHTSMYYDYFSS-LLVKDONJSA-N 1 2 243.310 2.664 20 0 BFADLO CN(Cc1ccc(F)cc1F)c1cccc[nH+]1 ZINC000078783968 344903912 /nfs/dbraw/zinc/90/39/12/344903912.db2.gz KLHFLFFNDBBSHR-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO CC[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000579013993 344931019 /nfs/dbraw/zinc/93/10/19/344931019.db2.gz LNCCEWLRAYSNKG-OLZOCXBDSA-N 1 2 249.358 2.625 20 0 BFADLO CCCC[C@H](CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000070979614 534980452 /nfs/dbraw/zinc/98/04/52/534980452.db2.gz HWIDDJLZOWINLA-NSHDSACASA-N 1 2 237.347 2.585 20 0 BFADLO CC1(C)CCC(=CC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000131163062 187297226 /nfs/dbraw/zinc/29/72/26/187297226.db2.gz FUDSJFODCKGQBR-UHFFFAOYSA-N 1 2 247.342 2.553 20 0 BFADLO CCC[C@H](C(=O)Nc1cc[nH+]cc1O)C(C)C ZINC000153831386 344984083 /nfs/dbraw/zinc/98/40/83/344984083.db2.gz QQRXCKYXXIFWDK-JTQLQIEISA-N 1 2 236.315 2.798 20 0 BFADLO CCC[C@@H](C(=O)Nc1cc[nH+]cc1O)C(C)C ZINC000153831503 344984115 /nfs/dbraw/zinc/98/41/15/344984115.db2.gz QQRXCKYXXIFWDK-SNVBAGLBSA-N 1 2 236.315 2.798 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000115603042 187298989 /nfs/dbraw/zinc/29/89/89/187298989.db2.gz PWFFKSAFPCFVAS-CHWSQXEVSA-N 1 2 249.354 2.906 20 0 BFADLO Fc1c[nH+]ccc1NC[C@@H]1CCCC(F)(F)C1 ZINC000641556379 362500388 /nfs/dbraw/zinc/50/03/88/362500388.db2.gz VSFADKXXBJJWAC-SECBINFHSA-N 1 2 244.260 2.880 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000079696970 345021954 /nfs/dbraw/zinc/02/19/54/345021954.db2.gz LUICFMXMCYNNJB-GHMZBOCLSA-N 1 2 247.342 2.522 20 0 BFADLO CC(=O)[C@H](C)SCCc1[nH]c2ccccc2[nH+]1 ZINC000603322869 349922412 /nfs/dbraw/zinc/92/24/12/349922412.db2.gz WNEMZASNIQLANP-JTQLQIEISA-N 1 2 248.351 2.816 20 0 BFADLO Cc1cc(NCCC[C@@H]2CCCC[C@H]2O)nc[nH+]1 ZINC000154459002 345035397 /nfs/dbraw/zinc/03/53/97/345035397.db2.gz ZDHDDUQPMDAOFV-QWHCGFSZSA-N 1 2 249.358 2.528 20 0 BFADLO CC(C)(CCNc1cc(CO)cc[nH+]1)C1CC1 ZINC000641616941 362549594 /nfs/dbraw/zinc/54/95/94/362549594.db2.gz XRSZVABUTLHORZ-UHFFFAOYSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]cc2F)CCC1(F)F ZINC000641601178 362539316 /nfs/dbraw/zinc/53/93/16/362539316.db2.gz CMGWAAGLMCSMRT-MRVPVSSYSA-N 1 2 230.233 2.702 20 0 BFADLO C[C@]12CCN(c3cc[nH+]cc3F)C[C@H]1C2(F)F ZINC000641605754 362542439 /nfs/dbraw/zinc/54/24/39/362542439.db2.gz LMVDYMOELHHTKF-MNOVXSKESA-N 1 2 242.244 2.702 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H]2CCCC[C@@H]21 ZINC000641644596 362571131 /nfs/dbraw/zinc/57/11/31/362571131.db2.gz DYZCHBAPVKEYTA-JQWIXIFHSA-N 1 2 220.291 2.990 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C(F)(F)F ZINC000080111445 345100982 /nfs/dbraw/zinc/10/09/82/345100982.db2.gz UCAXKZYPQHHGCE-SSDOTTSWSA-N 1 2 232.205 2.527 20 0 BFADLO CCc1cccc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641651648 362578934 /nfs/dbraw/zinc/57/89/34/362578934.db2.gz DTIIPZDYBCHEGX-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO CC[C@@H](Nc1cc(CO)cc[nH+]1)C1CCCC1 ZINC000641629509 362560956 /nfs/dbraw/zinc/56/09/56/362560956.db2.gz MBECOSBDUOIRHT-CYBMUJFWSA-N 1 2 234.343 2.955 20 0 BFADLO OCc1cc[nH+]c(NC[C@H]2CCC[C@H]2C2CC2)c1 ZINC000641633480 362562148 /nfs/dbraw/zinc/56/21/48/362562148.db2.gz RNLISJVGVUQWRS-KGLIPLIRSA-N 1 2 246.354 2.812 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CCSC2)c1Cl ZINC000306267322 345141802 /nfs/dbraw/zinc/14/18/02/345141802.db2.gz IETCZPPTHWFDSH-QMMMGPOBSA-N 1 2 228.748 2.961 20 0 BFADLO CCOc1cc(C)ccc1C[NH2+]Cc1ccon1 ZINC000634968881 345141920 /nfs/dbraw/zinc/14/19/20/345141920.db2.gz ZIBQMVJGSYTEIZ-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CC[C@@H](CSC)N(C)c1cc[nH+]cc1F ZINC000603327006 349923998 /nfs/dbraw/zinc/92/39/98/349923998.db2.gz ATZRNGWSAVUUCP-VIFPVBQESA-N 1 2 228.336 2.799 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000130858772 345288468 /nfs/dbraw/zinc/28/84/68/345288468.db2.gz BBTKDRLZDOKQMH-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000130858772 345288470 /nfs/dbraw/zinc/28/84/70/345288470.db2.gz BBTKDRLZDOKQMH-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccoc2)s1 ZINC000168357146 345309765 /nfs/dbraw/zinc/30/97/65/345309765.db2.gz CIKVREILMGGNPT-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO c1cc(NC[C@@H]2C[C@H]2C2CCC2)nc(C2CC2)[nH+]1 ZINC000425279638 192088122 /nfs/dbraw/zinc/08/81/22/192088122.db2.gz IRNWRBPQLOTYMV-STQMWFEESA-N 1 2 243.354 2.624 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccco2)o1 ZINC000186557886 178849740 /nfs/dbraw/zinc/84/97/40/178849740.db2.gz VWAKXZXHLGITRT-VXGBXAGGSA-N 1 2 249.310 2.955 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000080761994 345449283 /nfs/dbraw/zinc/44/92/83/345449283.db2.gz SHUIXCGZNPMNRG-UWVGGRQHSA-N 1 2 244.342 2.749 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000080761990 345449326 /nfs/dbraw/zinc/44/93/26/345449326.db2.gz SHUIXCGZNPMNRG-AOOOYVTPSA-N 1 2 244.342 2.749 20 0 BFADLO CC(C)(C)c1nc(NCc2cccnc2)cc[nH+]1 ZINC000080762017 345449354 /nfs/dbraw/zinc/44/93/54/345449354.db2.gz RWCXFRLLAFJOLN-UHFFFAOYSA-N 1 2 242.326 2.781 20 0 BFADLO CCC(CC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080762407 345449444 /nfs/dbraw/zinc/44/94/44/345449444.db2.gz NJPLEWWVHFLPBN-UHFFFAOYSA-N 1 2 218.304 2.867 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000080980344 345458217 /nfs/dbraw/zinc/45/82/17/345458217.db2.gz LKAHBKXPVBOWLY-LDYMZIIASA-N 1 2 230.315 2.867 20 0 BFADLO CCc1nc(CCNc2cccc[nH+]2)cs1 ZINC000263775279 345520497 /nfs/dbraw/zinc/52/04/97/345520497.db2.gz HSNAORJHMYBEPF-UHFFFAOYSA-N 1 2 233.340 2.755 20 0 BFADLO COCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000090065089 345564098 /nfs/dbraw/zinc/56/40/98/345564098.db2.gz XMVFOLAIHDDVRO-UHFFFAOYSA-N 1 2 237.347 2.782 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(F)cn2)on1 ZINC000092752056 345642495 /nfs/dbraw/zinc/64/24/95/345642495.db2.gz ONGNITVFVUWWHC-VIFPVBQESA-N 1 2 249.289 2.622 20 0 BFADLO Cc1cc(N2CCCC[C@H]2C(C)C)nc[nH+]1 ZINC000092913516 345647860 /nfs/dbraw/zinc/64/78/60/345647860.db2.gz BEVKRSNTZGUUCL-LBPRGKRZSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1ncc([C@@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000641683111 362601807 /nfs/dbraw/zinc/60/18/07/362601807.db2.gz VEFSOQGNDYYDHT-MRVPVSSYSA-N 1 2 249.339 2.512 20 0 BFADLO c1ccc(C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000225781801 345750203 /nfs/dbraw/zinc/75/02/03/345750203.db2.gz HIAPRHVEKBQLJD-UHFFFAOYSA-N 1 2 239.322 2.861 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@H](C)C(C)C)[nH+]1 ZINC000226193192 345751428 /nfs/dbraw/zinc/75/14/28/345751428.db2.gz DLHDPNRJEKLCJZ-SECBINFHSA-N 1 2 232.331 2.747 20 0 BFADLO CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000142510971 345705369 /nfs/dbraw/zinc/70/53/69/345705369.db2.gz PSTRGWFSDWKANT-UHFFFAOYSA-N 1 2 229.283 2.652 20 0 BFADLO C[C@@H](NC(=O)CCC1CCCC1)c1[nH]cc[nH+]1 ZINC000140830784 345823105 /nfs/dbraw/zinc/82/31/05/345823105.db2.gz ZKHVOPNMGFSWDJ-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ncc[nH]1 ZINC000138959116 345790459 /nfs/dbraw/zinc/79/04/59/345790459.db2.gz RSVZFRBESDBORC-SCVCMEIPSA-N 1 2 245.326 2.977 20 0 BFADLO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000307464266 345796460 /nfs/dbraw/zinc/79/64/60/345796460.db2.gz LEQGJATXOIYOHP-MAUMQABQSA-N 1 2 207.239 2.715 20 0 BFADLO c1cc2[nH+]ccc(N3CCCCC3)c2cn1 ZINC000141540442 345846636 /nfs/dbraw/zinc/84/66/36/345846636.db2.gz SAWTYWWMIILHDS-UHFFFAOYSA-N 1 2 213.284 2.620 20 0 BFADLO CCCC(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000281471342 168537043 /nfs/dbraw/zinc/53/70/43/168537043.db2.gz CQBQXCXCBCYPSB-GFCCVEGCSA-N 1 2 249.358 2.757 20 0 BFADLO CC(C)c1nnc(COc2cc[nH+]cc2)s1 ZINC000418956553 192092320 /nfs/dbraw/zinc/09/23/20/192092320.db2.gz SMRYISIWEPSIEN-UHFFFAOYSA-N 1 2 235.312 2.636 20 0 BFADLO C[C@H]1CN(Cc2c[nH+]cn2C)c2ccccc21 ZINC000177010803 345904321 /nfs/dbraw/zinc/90/43/21/345904321.db2.gz UZNHYMUPLRDVDK-NSHDSACASA-N 1 2 227.311 2.544 20 0 BFADLO CNc1cc(N[C@@H]2CCCC[C@@H]2C)[nH+]cn1 ZINC000087808226 345942028 /nfs/dbraw/zinc/94/20/28/345942028.db2.gz JXUCZGLMBOJKEY-VHSXEESVSA-N 1 2 220.320 2.509 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000419017837 192094166 /nfs/dbraw/zinc/09/41/66/192094166.db2.gz OOBYCPLSHWQBSR-SBMIAAHKSA-N 1 2 233.359 2.883 20 0 BFADLO C[C@@H]1[C@H](C)CN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000419017312 192094488 /nfs/dbraw/zinc/09/44/88/192094488.db2.gz NVTNKQIRFHRTNH-MXWKQRLJSA-N 1 2 231.343 2.835 20 0 BFADLO OC[C@@H](CC1CCCCC1)Nc1cccc[nH+]1 ZINC000419033955 192095799 /nfs/dbraw/zinc/09/57/99/192095799.db2.gz XYZWDYRCEIMZSR-CYBMUJFWSA-N 1 2 234.343 2.825 20 0 BFADLO CC[C@@H]([NH2+]Cc1occc1C)C(F)F ZINC000449364368 201884228 /nfs/dbraw/zinc/88/42/28/201884228.db2.gz RSVQOSLDDQQFBK-MRVPVSSYSA-N 1 2 203.232 2.721 20 0 BFADLO Cc1ccc(COCc2[nH]cc[nH+]2)cc1C ZINC000192138919 187314835 /nfs/dbraw/zinc/31/48/35/187314835.db2.gz GOUKWXGBIMRWNQ-UHFFFAOYSA-N 1 2 216.284 2.743 20 0 BFADLO CC/C=C/CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635984335 346137922 /nfs/dbraw/zinc/13/79/22/346137922.db2.gz QXZAIIYWMBNOLD-URWSZGRFSA-N 1 2 249.358 2.553 20 0 BFADLO Cn1c2ccc(F)cc2[nH]c1=[NH+]CC1(C)CCC1 ZINC000446969448 537949756 /nfs/dbraw/zinc/94/97/56/537949756.db2.gz KZZHIMKAFGAZSX-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO COc1ccc(N[C@H](C)C2CC(F)(F)C2)[nH+]c1 ZINC000628229557 346178561 /nfs/dbraw/zinc/17/85/61/346178561.db2.gz ZBXBOTDHADYQMV-MRVPVSSYSA-N 1 2 242.269 2.936 20 0 BFADLO Cc1nc(C)c(CNc2ccc[nH+]c2C)o1 ZINC000628229660 346178970 /nfs/dbraw/zinc/17/89/70/346178970.db2.gz CFNGHFQDAUDJSS-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1ncc(CNc2ccc(C)[nH+]c2C)o1 ZINC000628229975 346179551 /nfs/dbraw/zinc/17/95/51/346179551.db2.gz OFFFBEXADJXKSY-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C[C@H]1F ZINC000628234753 346188434 /nfs/dbraw/zinc/18/84/34/346188434.db2.gz LSOXFTLWTYLCEI-JOYOIKCWSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc(C3CC3)o2)C[C@H]1F ZINC000628234753 346188436 /nfs/dbraw/zinc/18/84/36/346188436.db2.gz LSOXFTLWTYLCEI-JOYOIKCWSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1c[nH]c(CN2C[C@H](C)Cc3ccccc32)[nH+]1 ZINC000628236039 346189597 /nfs/dbraw/zinc/18/95/97/346189597.db2.gz NONSWIUDQRYMDJ-LLVKDONJSA-N 1 2 241.338 2.917 20 0 BFADLO Cc1c[nH]c(CN2C[C@@H](C)Cc3ccccc32)[nH+]1 ZINC000628236040 346189853 /nfs/dbraw/zinc/18/98/53/346189853.db2.gz NONSWIUDQRYMDJ-NSHDSACASA-N 1 2 241.338 2.917 20 0 BFADLO CSC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000603386025 349942179 /nfs/dbraw/zinc/94/21/79/349942179.db2.gz GGULYSQVBQNMTP-SNVBAGLBSA-N 1 2 240.347 2.800 20 0 BFADLO Cc1ccc([C@@H](C)C[NH+]2CC(F)C2)cc1 ZINC000628237209 346193032 /nfs/dbraw/zinc/19/30/32/346193032.db2.gz FSYHYOQJWSDFPR-NSHDSACASA-N 1 2 207.292 2.752 20 0 BFADLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccncc1 ZINC000628237560 346193193 /nfs/dbraw/zinc/19/31/93/346193193.db2.gz RAPDECPMNFJIKR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccncc1 ZINC000628237560 346193195 /nfs/dbraw/zinc/19/31/95/346193195.db2.gz RAPDECPMNFJIKR-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO Cc1[nH]c(CN(C)[C@H](C)c2ccncc2)[nH+]c1C ZINC000628237122 346193370 /nfs/dbraw/zinc/19/33/70/346193370.db2.gz BQBQGBPMCZCYMK-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@H](C)c2cccnc2)o1 ZINC000628237721 346194119 /nfs/dbraw/zinc/19/41/19/346194119.db2.gz WTJMSQFNMLJOJY-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@H](C)c2cccnc2)o1 ZINC000628237721 346194122 /nfs/dbraw/zinc/19/41/22/346194122.db2.gz WTJMSQFNMLJOJY-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO CC[N@H+](CC(F)F)C[C@@]1(C)CCCS1 ZINC000628238450 346195394 /nfs/dbraw/zinc/19/53/94/346195394.db2.gz ZEWNBIQRBDHAIF-SNVBAGLBSA-N 1 2 223.332 2.859 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@@]1(C)CCCS1 ZINC000628238450 346195397 /nfs/dbraw/zinc/19/53/97/346195397.db2.gz ZEWNBIQRBDHAIF-SNVBAGLBSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3cccc(C)c3C2)n1 ZINC000628252096 346224324 /nfs/dbraw/zinc/22/43/24/346224324.db2.gz IAQAXCVBSPNYQR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3cccc(C)c3C2)n1 ZINC000628252096 346224326 /nfs/dbraw/zinc/22/43/26/346224326.db2.gz IAQAXCVBSPNYQR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CCc1cc(N(C)C[C@H](C)CC)nc[nH+]1 ZINC000603395082 349945201 /nfs/dbraw/zinc/94/52/01/349945201.db2.gz PXZWCWFCYWPMHG-SNVBAGLBSA-N 1 2 207.321 2.521 20 0 BFADLO Cc1sccc1CNc1cc(CO)cc[nH+]1 ZINC000641762611 362694297 /nfs/dbraw/zinc/69/42/97/362694297.db2.gz OSDRILSMJVTOQW-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1cccc(CCCOCc2[nH]cc[nH+]2)c1 ZINC000182389976 179055907 /nfs/dbraw/zinc/05/59/07/179055907.db2.gz GYLMFZGYWBXWAB-UHFFFAOYSA-N 1 2 230.311 2.868 20 0 BFADLO Cc1cccc(CCCn2cc[nH+]c2)c1 ZINC000182389392 179056435 /nfs/dbraw/zinc/05/64/35/179056435.db2.gz HUFCWBLOEMHHJU-UHFFFAOYSA-N 1 2 200.285 2.824 20 0 BFADLO Cc1sccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636312475 346388780 /nfs/dbraw/zinc/38/87/80/346388780.db2.gz OAPJNOUVQCWEQF-RKDXNWHRSA-N 1 2 247.323 2.522 20 0 BFADLO Cc1sccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636312475 346388782 /nfs/dbraw/zinc/38/87/82/346388782.db2.gz OAPJNOUVQCWEQF-RKDXNWHRSA-N 1 2 247.323 2.522 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1C ZINC000278865511 179069760 /nfs/dbraw/zinc/06/97/60/179069760.db2.gz FXGFDDSWWIJNNO-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1C ZINC000278865511 179069763 /nfs/dbraw/zinc/06/97/63/179069763.db2.gz FXGFDDSWWIJNNO-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[C@H]([NH2+]Cc1cc2cccnc2o1)C(F)F ZINC000641793106 362728652 /nfs/dbraw/zinc/72/86/52/362728652.db2.gz DLILKTRIHKLHBR-ZETCQYMHSA-N 1 2 226.226 2.571 20 0 BFADLO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C(F)F ZINC000641790788 362728994 /nfs/dbraw/zinc/72/89/94/362728994.db2.gz WUUOYMOMGVBIKZ-GZMMTYOYSA-N 1 2 241.281 2.926 20 0 BFADLO Cc1cncc([C@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000641792657 362729044 /nfs/dbraw/zinc/72/90/44/362729044.db2.gz XYKCYTRJMGNMSB-DTWKUNHWSA-N 1 2 214.259 2.694 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)C(F)F ZINC000641793288 362729055 /nfs/dbraw/zinc/72/90/55/362729055.db2.gz IBPZXZLFHOMWKS-VIFPVBQESA-N 1 2 231.290 2.516 20 0 BFADLO COc1ccccc1/C=C/C[NH2+][C@H](C)C(F)F ZINC000641793956 362732843 /nfs/dbraw/zinc/73/28/43/362732843.db2.gz QDTITNHYPGKHJQ-BREXMAIKSA-N 1 2 241.281 2.952 20 0 BFADLO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)C(F)F ZINC000641794637 362735334 /nfs/dbraw/zinc/73/53/34/362735334.db2.gz XTUOMDHCCSDRDS-SECBINFHSA-N 1 2 239.265 2.706 20 0 BFADLO C[C@H]([NH2+]Cc1cc2ccccc2n1C)C(F)F ZINC000641795162 362738669 /nfs/dbraw/zinc/73/86/69/362738669.db2.gz VBLOPNRXHKGRDH-VIFPVBQESA-N 1 2 238.281 2.922 20 0 BFADLO C[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C(F)F ZINC000641794568 362736068 /nfs/dbraw/zinc/73/60/68/362736068.db2.gz VYERSOVEOPCYDF-MRVPVSSYSA-N 1 2 224.254 2.911 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000679224413 488320962 /nfs/dbraw/zinc/32/09/62/488320962.db2.gz SODCQOBWJQQQNR-LSJOCFKGSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000679224413 488320963 /nfs/dbraw/zinc/32/09/63/488320963.db2.gz SODCQOBWJQQQNR-LSJOCFKGSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679226743 488322517 /nfs/dbraw/zinc/32/25/17/488322517.db2.gz VTUHYUMCSKTVKH-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679226743 488322518 /nfs/dbraw/zinc/32/25/18/488322518.db2.gz VTUHYUMCSKTVKH-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO CC[C@@H](Nc1cccc(OC)c1)c1[nH+]ccn1C ZINC000182657874 347102208 /nfs/dbraw/zinc/10/22/08/347102208.db2.gz BRRMHEBEMBURLK-CYBMUJFWSA-N 1 2 245.326 2.992 20 0 BFADLO Cc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1C ZINC000279206907 179127816 /nfs/dbraw/zinc/12/78/16/179127816.db2.gz LYHGHXTZDWHCTF-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cc(C)no1 ZINC000588169337 346644808 /nfs/dbraw/zinc/64/48/08/346644808.db2.gz SCJYGXVHCAPGLW-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cc(C)no1 ZINC000588169337 346644809 /nfs/dbraw/zinc/64/48/09/346644809.db2.gz SCJYGXVHCAPGLW-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CSC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000601207870 346673700 /nfs/dbraw/zinc/67/37/00/346673700.db2.gz RHPRIAISJJTKEW-UHFFFAOYSA-N 1 2 249.383 2.686 20 0 BFADLO Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294140610 179157103 /nfs/dbraw/zinc/15/71/03/179157103.db2.gz PGTKNQOKPNKUFA-LBPRGKRZSA-N 1 2 213.284 2.748 20 0 BFADLO CCOc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000378678877 346804805 /nfs/dbraw/zinc/80/48/05/346804805.db2.gz SPRQKDGMMGIPBL-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO CC[N@@H+](Cc1ccc(COC)cc1)CC(F)F ZINC000184091672 347148548 /nfs/dbraw/zinc/14/85/48/347148548.db2.gz XOEYQAQUEMDZED-UHFFFAOYSA-N 1 2 243.297 2.920 20 0 BFADLO CC[N@H+](Cc1ccc(COC)cc1)CC(F)F ZINC000184091672 347148550 /nfs/dbraw/zinc/14/85/50/347148550.db2.gz XOEYQAQUEMDZED-UHFFFAOYSA-N 1 2 243.297 2.920 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]CC(F)(F)CO)c1C ZINC000184706288 179195064 /nfs/dbraw/zinc/19/50/64/179195064.db2.gz WHEKMCWPGWGMCO-NSHDSACASA-N 1 2 243.297 2.582 20 0 BFADLO Fc1cc(F)c(C[N@H+]2CC=CCC2)cc1F ZINC000679357301 488343686 /nfs/dbraw/zinc/34/36/86/488343686.db2.gz FMTHYNYIWOEHFA-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO Fc1cc(F)c(C[N@@H+]2CC=CCC2)cc1F ZINC000679357301 488343689 /nfs/dbraw/zinc/34/36/89/488343689.db2.gz FMTHYNYIWOEHFA-UHFFFAOYSA-N 1 2 227.229 2.866 20 0 BFADLO CC[C@@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000192850797 347385223 /nfs/dbraw/zinc/38/52/23/347385223.db2.gz HCJSJPPDYQMMCL-GXTWGEPZSA-N 1 2 249.354 2.640 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCC1CCCCC1 ZINC000616922158 347452497 /nfs/dbraw/zinc/45/24/97/347452497.db2.gz RDHJJFXOVQIVKL-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCC1CCCCC1 ZINC000616922158 347452499 /nfs/dbraw/zinc/45/24/99/347452499.db2.gz RDHJJFXOVQIVKL-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000035043244 358453336 /nfs/dbraw/zinc/45/33/36/358453336.db2.gz JPYLFNSATSBTKY-OCCSQVGLSA-N 1 2 249.354 2.672 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928942 347495784 /nfs/dbraw/zinc/49/57/84/347495784.db2.gz PWEPYZXLBPIXPO-AAEUAGOBSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928942 347495788 /nfs/dbraw/zinc/49/57/88/347495788.db2.gz PWEPYZXLBPIXPO-AAEUAGOBSA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928815 347495850 /nfs/dbraw/zinc/49/58/50/347495850.db2.gz NELBYPIALJEFPM-CYBMUJFWSA-N 1 2 237.347 2.585 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928815 347495853 /nfs/dbraw/zinc/49/58/53/347495853.db2.gz NELBYPIALJEFPM-CYBMUJFWSA-N 1 2 237.347 2.585 20 0 BFADLO CCC(CC)(CC)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926460 347458755 /nfs/dbraw/zinc/45/87/55/347458755.db2.gz CYVGWLUBAJDZBT-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CCC(CC)(CC)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616926460 347458759 /nfs/dbraw/zinc/45/87/59/347458759.db2.gz CYVGWLUBAJDZBT-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCC1CCCC1 ZINC000616925884 347458850 /nfs/dbraw/zinc/45/88/50/347458850.db2.gz UHHYECLUDXGEPG-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCC1CCCC1 ZINC000616925884 347458852 /nfs/dbraw/zinc/45/88/52/347458852.db2.gz UHHYECLUDXGEPG-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCC(C)(C)CC1 ZINC000616926725 347458894 /nfs/dbraw/zinc/45/88/94/347458894.db2.gz NOHJGWUKFFRHCZ-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCC(C)(C)CC1 ZINC000616926725 347458895 /nfs/dbraw/zinc/45/88/95/347458895.db2.gz NOHJGWUKFFRHCZ-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CC(C)c1cnc(CNc2c[nH]c[nH+]2)s1 ZINC000380103518 365880926 /nfs/dbraw/zinc/88/09/26/365880926.db2.gz MNXIGCBTPSNWFQ-UHFFFAOYSA-N 1 2 222.317 2.602 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccon1 ZINC000679546516 488357811 /nfs/dbraw/zinc/35/78/11/488357811.db2.gz PQPACGFXOREMQK-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccon1 ZINC000679546516 488357813 /nfs/dbraw/zinc/35/78/13/488357813.db2.gz PQPACGFXOREMQK-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO COc1ccc2[nH+]c(N[C@@H]3CC3(C)C)ccc2c1 ZINC000618437545 347659217 /nfs/dbraw/zinc/65/92/17/347659217.db2.gz ASJUDTDTDOKXRN-CYBMUJFWSA-N 1 2 242.322 2.876 20 0 BFADLO CC1(C)CCCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493379599 347767690 /nfs/dbraw/zinc/76/76/90/347767690.db2.gz DPMCUXXJSPFPBX-MLRMMBSGSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1ccccc1OCCC[N@@H+](C)CC(F)F ZINC000103487512 179309060 /nfs/dbraw/zinc/30/90/60/179309060.db2.gz NSDWDSJEHCSBPA-UHFFFAOYSA-N 1 2 243.297 2.961 20 0 BFADLO Cc1ccccc1OCCC[N@H+](C)CC(F)F ZINC000103487512 179309063 /nfs/dbraw/zinc/30/90/63/179309063.db2.gz NSDWDSJEHCSBPA-UHFFFAOYSA-N 1 2 243.297 2.961 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000593277364 347877636 /nfs/dbraw/zinc/87/76/36/347877636.db2.gz BIFHRYFVHQXVEQ-AAEUAGOBSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000036900151 179320790 /nfs/dbraw/zinc/32/07/90/179320790.db2.gz YNJMWSPGMVPMCJ-LLVKDONJSA-N 1 2 215.300 2.569 20 0 BFADLO COCc1cccc(CNc2cccc[nH+]2)c1 ZINC000037998969 348026494 /nfs/dbraw/zinc/02/64/94/348026494.db2.gz ATATZWIWXIIFAP-UHFFFAOYSA-N 1 2 228.295 2.840 20 0 BFADLO CSCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000594629452 348084976 /nfs/dbraw/zinc/08/49/76/348084976.db2.gz NKBJHQPTSGOVKB-UHFFFAOYSA-N 1 2 218.325 2.950 20 0 BFADLO CC[C@H](C[N@H+](CC(F)F)CC1CCC1)OC ZINC000419236026 192112007 /nfs/dbraw/zinc/11/20/07/192112007.db2.gz ZWZISOINXJTMCL-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@H](C[N@@H+](CC(F)F)CC1CCC1)OC ZINC000419236026 192112008 /nfs/dbraw/zinc/11/20/08/192112008.db2.gz ZWZISOINXJTMCL-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO COC(=O)C[N@H+](Cc1ccsc1)C(C)(C)C ZINC000595443185 348251481 /nfs/dbraw/zinc/25/14/81/348251481.db2.gz ZSFDSTLUKZHEAO-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO COC(=O)C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000595443185 348251482 /nfs/dbraw/zinc/25/14/82/348251482.db2.gz ZSFDSTLUKZHEAO-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCn1cc[nH+]c1CSCC[C@@H]1CCOC1 ZINC000419425134 192134514 /nfs/dbraw/zinc/13/45/14/192134514.db2.gz VDBGKEHSOMSWMS-NSHDSACASA-N 1 2 240.372 2.563 20 0 BFADLO Cc1cc[nH+]c(NCCC2(O)CCC2)c1Cl ZINC000309842797 179443014 /nfs/dbraw/zinc/44/30/14/179443014.db2.gz FAEJQHUUWFFOBT-UHFFFAOYSA-N 1 2 240.734 2.760 20 0 BFADLO Cc1ccsc1C[NH2+]C1(C(F)F)CC1 ZINC000336651098 179547839 /nfs/dbraw/zinc/54/78/39/179547839.db2.gz JLBRIFJZOFOJNO-UHFFFAOYSA-N 1 2 217.284 2.944 20 0 BFADLO Cc1ccsc1CNc1cccc(CO)[nH+]1 ZINC000336736505 179550964 /nfs/dbraw/zinc/55/09/64/179550964.db2.gz MUYBXURAMPHLHW-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO CCc1cnc(C[N@@H+](CC)Cc2ccoc2)o1 ZINC000075684208 348572379 /nfs/dbraw/zinc/57/23/79/348572379.db2.gz BEWPJXJKNGBPKX-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO CCc1cnc(C[N@H+](CC)Cc2ccoc2)o1 ZINC000075684208 348572383 /nfs/dbraw/zinc/57/23/83/348572383.db2.gz BEWPJXJKNGBPKX-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO Cc1cnc(C[N@@H+]2CCCc3occc3C2)s1 ZINC000288756612 179593445 /nfs/dbraw/zinc/59/34/45/179593445.db2.gz IMVLMEBNKNTWET-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1cnc(C[N@H+]2CCCc3occc3C2)s1 ZINC000288756612 179593446 /nfs/dbraw/zinc/59/34/46/179593446.db2.gz IMVLMEBNKNTWET-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO CCSC1(CNc2[nH+]cccc2OC)CC1 ZINC000599110464 349094617 /nfs/dbraw/zinc/09/46/17/349094617.db2.gz SNBGMJOJYOGXNH-UHFFFAOYSA-N 1 2 238.356 2.788 20 0 BFADLO Cc1c[nH+]ccc1CCSC[C@H]1CCCO1 ZINC000421841319 192392061 /nfs/dbraw/zinc/39/20/61/192392061.db2.gz KEJHPLLLZDQNRA-CYBMUJFWSA-N 1 2 237.368 2.845 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000599627758 349231493 /nfs/dbraw/zinc/23/14/93/349231493.db2.gz NRUMODLTICACOP-OCCSQVGLSA-N 1 2 249.354 2.843 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)ccn1 ZINC000623525289 362944235 /nfs/dbraw/zinc/94/42/35/362944235.db2.gz FGLILEVITZPCJH-LLVKDONJSA-N 1 2 226.270 2.667 20 0 BFADLO CC(C)(C)[C@@H]1C[C@H](Nc2c[nH]c[nH+]2)CS1 ZINC000309006554 349285370 /nfs/dbraw/zinc/28/53/70/349285370.db2.gz PYZLMYSIZNTUQO-IUCAKERBSA-N 1 2 225.361 2.742 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000301699622 179905824 /nfs/dbraw/zinc/90/58/24/179905824.db2.gz RPVJCCQWPOMPKW-LDYMZIIASA-N 1 2 219.332 2.637 20 0 BFADLO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1ncccn1 ZINC000061362165 349366707 /nfs/dbraw/zinc/36/67/07/349366707.db2.gz WEBIMQORNMDRRW-NSHDSACASA-N 1 2 245.351 2.705 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cnccn2)cs1 ZINC000330945424 180038238 /nfs/dbraw/zinc/03/82/38/180038238.db2.gz JXAHFMCHBHOTEH-RKDXNWHRSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cnccn2)cs1 ZINC000330945423 180050753 /nfs/dbraw/zinc/05/07/53/180050753.db2.gz JXAHFMCHBHOTEH-IUCAKERBSA-N 1 2 248.355 2.653 20 0 BFADLO CC(C)[C@@]1(C)C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000397222916 350139926 /nfs/dbraw/zinc/13/99/26/350139926.db2.gz LIUMCJCVKSERNG-RDDDGLTNSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@@]1(C)C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000397222916 350139928 /nfs/dbraw/zinc/13/99/28/350139928.db2.gz LIUMCJCVKSERNG-RDDDGLTNSA-N 1 2 240.738 2.559 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302107683 180068470 /nfs/dbraw/zinc/06/84/70/180068470.db2.gz SNNVCFINFYLAED-PHIMTYICSA-N 1 2 245.370 2.756 20 0 BFADLO Cc1nc(N2C[C@@H](C)[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC000302107679 180069110 /nfs/dbraw/zinc/06/91/10/180069110.db2.gz SNNVCFINFYLAED-GHMZBOCLSA-N 1 2 245.370 2.756 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CCCCO1 ZINC000133378790 191040100 /nfs/dbraw/zinc/04/01/00/191040100.db2.gz FTZZYEGFOOLZON-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CCCCO1 ZINC000133378790 191040103 /nfs/dbraw/zinc/04/01/03/191040103.db2.gz FTZZYEGFOOLZON-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2cncs2)s1 ZINC000179381258 180139629 /nfs/dbraw/zinc/13/96/29/180139629.db2.gz WSGWFAYZKAJSKV-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2cncs2)s1 ZINC000179381258 180139631 /nfs/dbraw/zinc/13/96/31/180139631.db2.gz WSGWFAYZKAJSKV-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000124507496 490368546 /nfs/dbraw/zinc/36/85/46/490368546.db2.gz RFORFZGPJCATHI-JTQLQIEISA-N 1 2 215.300 2.569 20 0 BFADLO Cc1nc(N2C[C@@H](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000266226020 180194565 /nfs/dbraw/zinc/19/45/65/180194565.db2.gz RQWLTMZPNBFNJF-IAQYHMDHSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1nc(NC2(Cc3ccccc3)CC2)cc[nH+]1 ZINC000291161156 180198080 /nfs/dbraw/zinc/19/80/80/180198080.db2.gz PZSARFNBUZXWME-UHFFFAOYSA-N 1 2 239.322 2.972 20 0 BFADLO Cc1ccccc1OCCNc1cc[nH+]c(C)n1 ZINC000266181255 180199309 /nfs/dbraw/zinc/19/93/09/180199309.db2.gz AQPXZHITAGXAMF-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO Cc1cnc([C@H](C)CNc2cc[nH+]c(C)n2)s1 ZINC000182752983 180200236 /nfs/dbraw/zinc/20/02/36/180200236.db2.gz NGYBJGQTBHTIOD-MRVPVSSYSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1nc(NC[C@@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000281995587 180200247 /nfs/dbraw/zinc/20/02/47/180200247.db2.gz NUZXUAISWUDXOD-SECBINFHSA-N 1 2 227.258 2.632 20 0 BFADLO Cc1nc(NC[C@H]2CCCO[C@H]2C(C)C)cc[nH+]1 ZINC000174933520 180200933 /nfs/dbraw/zinc/20/09/33/180200933.db2.gz OIESSWJYGKMRTB-OCCSQVGLSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1nc(N[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000054935726 180203346 /nfs/dbraw/zinc/20/33/46/180203346.db2.gz OIOCBUAKVPITOP-MWLCHTKSSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@H]2CCCO[C@H]2CC(C)C)cc[nH+]1 ZINC000186380855 180206088 /nfs/dbraw/zinc/20/60/88/180206088.db2.gz JZNHGJIZWIQJPB-STQMWFEESA-N 1 2 249.358 2.791 20 0 BFADLO COc1ccccc1-c1cn2c([nH+]1)CCCC2 ZINC000059347281 350211984 /nfs/dbraw/zinc/21/19/84/350211984.db2.gz WKOGERLKKVPALY-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO Cc1ccccc1C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000360527318 180181884 /nfs/dbraw/zinc/18/18/84/180181884.db2.gz BUCJBCVYYQTTIP-LBPRGKRZSA-N 1 2 241.338 2.558 20 0 BFADLO Cc1[nH+]cccc1NC[C@@H]1CCSC1 ZINC000224441449 180226763 /nfs/dbraw/zinc/22/67/63/180226763.db2.gz XZVNIZSQTHVCCV-JTQLQIEISA-N 1 2 208.330 2.555 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccno1 ZINC000606449580 350339479 /nfs/dbraw/zinc/33/94/79/350339479.db2.gz ZDLAPDQQDUINPB-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccno1 ZINC000606449580 350339482 /nfs/dbraw/zinc/33/94/82/350339482.db2.gz ZDLAPDQQDUINPB-SNVBAGLBSA-N 1 2 246.285 2.933 20 0 BFADLO CC(C)CCn1cccc1C[NH2+]Cc1cocn1 ZINC000606470083 350341303 /nfs/dbraw/zinc/34/13/03/350341303.db2.gz SNWGBANZSNTQDQ-UHFFFAOYSA-N 1 2 247.342 2.812 20 0 BFADLO Cc1ncsc1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353167525 180309796 /nfs/dbraw/zinc/30/97/96/180309796.db2.gz GAHUPTGBYPCNHW-VIFPVBQESA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1CC[N@H+]1CCC[C@H]1C(F)F ZINC000353167525 180309797 /nfs/dbraw/zinc/30/97/97/180309797.db2.gz GAHUPTGBYPCNHW-VIFPVBQESA-N 1 2 246.326 2.724 20 0 BFADLO CCCCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606581966 350373555 /nfs/dbraw/zinc/37/35/55/350373555.db2.gz YIDPUTMSAUZOQQ-UHFFFAOYSA-N 1 2 246.314 2.646 20 0 BFADLO CCc1cc(NCc2ccccc2C)nc[nH+]1 ZINC000040765156 350395264 /nfs/dbraw/zinc/39/52/64/350395264.db2.gz ZFTGZCVJTSIWBV-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Clc1ccccc1C[NH2+]Cc1ccno1 ZINC000219161696 490558055 /nfs/dbraw/zinc/55/80/55/490558055.db2.gz GDNADKOQTVCSMC-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CC(C)C[N@H+](CC[C@@H](C)O)c1ccccc1 ZINC000336646738 350561585 /nfs/dbraw/zinc/56/15/85/350561585.db2.gz FAXCECUKSYATSP-CYBMUJFWSA-N 1 2 221.344 2.920 20 0 BFADLO CC(C)C[N@@H+](CC[C@@H](C)O)c1ccccc1 ZINC000336646738 350561589 /nfs/dbraw/zinc/56/15/89/350561589.db2.gz FAXCECUKSYATSP-CYBMUJFWSA-N 1 2 221.344 2.920 20 0 BFADLO Cc1cc(NC[C@H](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000606895301 350620649 /nfs/dbraw/zinc/62/06/49/350620649.db2.gz VGOGLGNJCNYWFU-JTQLQIEISA-N 1 2 233.359 2.788 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1ccccc1 ZINC000051188491 350614236 /nfs/dbraw/zinc/61/42/36/350614236.db2.gz DIDTZLNXLDHMBW-UHFFFAOYSA-N 1 2 229.327 2.743 20 0 BFADLO CCc1nc(C)c(C[NH2+]Cc2ccc(C)o2)o1 ZINC000291745917 350676116 /nfs/dbraw/zinc/67/61/16/350676116.db2.gz LBXSJIBXUAODHR-UHFFFAOYSA-N 1 2 234.299 2.737 20 0 BFADLO CCCC[C@@H](CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339183463 350738211 /nfs/dbraw/zinc/73/82/11/350738211.db2.gz MPIIPTLZWSGGDI-LLVKDONJSA-N 1 2 237.347 2.664 20 0 BFADLO Cc1nocc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000295372393 180504419 /nfs/dbraw/zinc/50/44/19/180504419.db2.gz OLWANHURHZKEIQ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nocc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000295372393 180504421 /nfs/dbraw/zinc/50/44/21/180504421.db2.gz OLWANHURHZKEIQ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CCc1nc(C)c(CNc2cccc[nH+]2)o1 ZINC000292340391 350901823 /nfs/dbraw/zinc/90/18/23/350901823.db2.gz QAKRBVLGXQOBTA-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C)on2)on1 ZINC000052009810 350908178 /nfs/dbraw/zinc/90/81/78/350908178.db2.gz WHBGEHHZSIBIBK-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C)on2)on1 ZINC000052009810 350908180 /nfs/dbraw/zinc/90/81/80/350908180.db2.gz WHBGEHHZSIBIBK-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO C/C(=C\c1ccccc1)C[NH2+]CC(F)F ZINC000309072408 191126483 /nfs/dbraw/zinc/12/64/83/191126483.db2.gz FTDNPUGSMIOKQU-JXMROGBWSA-N 1 2 211.255 2.945 20 0 BFADLO Fc1cc[nH+]c(NCc2ccsc2)c1 ZINC000306729064 350897848 /nfs/dbraw/zinc/89/78/48/350897848.db2.gz OGCWHPSXVOYWSE-UHFFFAOYSA-N 1 2 208.261 2.894 20 0 BFADLO N#Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000398000249 350998759 /nfs/dbraw/zinc/99/87/59/350998759.db2.gz NAMKASXXFYPHFN-LBPRGKRZSA-N 1 2 236.265 2.836 20 0 BFADLO CC[N@@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616636175 351124012 /nfs/dbraw/zinc/12/40/12/351124012.db2.gz BDGMKEAXVMBBDQ-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCOC[C@@H]1c1ccccc1Cl ZINC000616636175 351124013 /nfs/dbraw/zinc/12/40/13/351124013.db2.gz BDGMKEAXVMBBDQ-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO C[C@H]1CN(c2cc3ccccc3c[nH+]2)CCCO1 ZINC000631096122 351074063 /nfs/dbraw/zinc/07/40/63/351074063.db2.gz NWLNYBUUVDRKJY-LBPRGKRZSA-N 1 2 242.322 2.850 20 0 BFADLO CCc1cc[nH+]cc1NCc1oc(C)nc1C ZINC000628325341 351251109 /nfs/dbraw/zinc/25/11/09/351251109.db2.gz IENWYKZSYDWQJV-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC=CCC1 ZINC000265022556 351261082 /nfs/dbraw/zinc/26/10/82/351261082.db2.gz RDVRHCZRKOVWLN-GFCCVEGCSA-N 1 2 230.311 2.939 20 0 BFADLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000267230751 351305416 /nfs/dbraw/zinc/30/54/16/351305416.db2.gz VPHLYLROLVVDKP-GFCCVEGCSA-N 1 2 243.297 2.525 20 0 BFADLO CC[C@@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000267230751 351305419 /nfs/dbraw/zinc/30/54/19/351305419.db2.gz VPHLYLROLVVDKP-GFCCVEGCSA-N 1 2 243.297 2.525 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(C)CCC1 ZINC000267384191 351308802 /nfs/dbraw/zinc/30/88/02/351308802.db2.gz LAIDOFALYCSKJS-UHFFFAOYSA-N 1 2 218.300 2.773 20 0 BFADLO CC(C)[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631125946 351327074 /nfs/dbraw/zinc/32/70/74/351327074.db2.gz JIMGQMDBBOFOBS-ZDUSSCGKSA-N 1 2 230.311 2.664 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](CC)SC ZINC000269554504 351359211 /nfs/dbraw/zinc/35/92/11/351359211.db2.gz OBUMVIBKUGQZMK-NSHDSACASA-N 1 2 238.356 2.724 20 0 BFADLO CC[N@H+](Cc1c(F)cccc1F)[C@H]1CCOC1 ZINC000271249108 351409527 /nfs/dbraw/zinc/40/95/27/351409527.db2.gz DNTMTXXBPQZUAS-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO CC[N@@H+](Cc1c(F)cccc1F)[C@H]1CCOC1 ZINC000271249108 351409530 /nfs/dbraw/zinc/40/95/30/351409530.db2.gz DNTMTXXBPQZUAS-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000036982229 358465478 /nfs/dbraw/zinc/46/54/78/358465478.db2.gz OWAPIXZDIVUQGJ-LLVKDONJSA-N 1 2 231.343 2.892 20 0 BFADLO Cc1ccc(CNc2c[nH+]ccc2C)nc1 ZINC000088135426 351624798 /nfs/dbraw/zinc/62/47/98/351624798.db2.gz VJTIJDVXAFSEOL-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)sn1 ZINC000637841709 351698143 /nfs/dbraw/zinc/69/81/43/351698143.db2.gz LVLAFGVEAGTRQO-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)sn1 ZINC000637841709 351698147 /nfs/dbraw/zinc/69/81/47/351698147.db2.gz LVLAFGVEAGTRQO-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)o2)sn1 ZINC000637853030 351713009 /nfs/dbraw/zinc/71/30/09/351713009.db2.gz JUXHXUXPMNDEOB-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)o2)sn1 ZINC000637853030 351713011 /nfs/dbraw/zinc/71/30/11/351713011.db2.gz JUXHXUXPMNDEOB-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO c1cc(C[N@@H+]2CCOc3ccccc3C2)sn1 ZINC000637957185 351833252 /nfs/dbraw/zinc/83/32/52/351833252.db2.gz FDPJISMONFGLOS-UHFFFAOYSA-N 1 2 246.335 2.538 20 0 BFADLO c1cc(C[N@H+]2CCOc3ccccc3C2)sn1 ZINC000637957185 351833255 /nfs/dbraw/zinc/83/32/55/351833255.db2.gz FDPJISMONFGLOS-UHFFFAOYSA-N 1 2 246.335 2.538 20 0 BFADLO CC(C)=CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000375765713 187563582 /nfs/dbraw/zinc/56/35/82/187563582.db2.gz RGWSIMQCCBNANV-GFCCVEGCSA-N 1 2 235.331 2.871 20 0 BFADLO CC(C)=CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000375765713 187563584 /nfs/dbraw/zinc/56/35/84/187563584.db2.gz RGWSIMQCCBNANV-GFCCVEGCSA-N 1 2 235.331 2.871 20 0 BFADLO c1cc(C[N@@H+]2CCc3ccsc3C2)sn1 ZINC000638088210 351965701 /nfs/dbraw/zinc/96/57/01/351965701.db2.gz KBWHLFJABOIXDO-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc(C[N@H+]2CCc3ccsc3C2)sn1 ZINC000638088210 351965703 /nfs/dbraw/zinc/96/57/03/351965703.db2.gz KBWHLFJABOIXDO-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO CC[C@](C)(C[N@H+](CC(F)F)C(C)C)OC ZINC000638179852 352043691 /nfs/dbraw/zinc/04/36/91/352043691.db2.gz SPLOHRDCSGAUAL-LLVKDONJSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@](C)(C[N@@H+](CC(F)F)C(C)C)OC ZINC000638179852 352043692 /nfs/dbraw/zinc/04/36/92/352043692.db2.gz SPLOHRDCSGAUAL-LLVKDONJSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(=O)OC)c1ccc(C)cc1 ZINC000037074058 358467757 /nfs/dbraw/zinc/46/77/57/358467757.db2.gz YITPUHRSUPJSAB-WCQYABFASA-N 1 2 235.327 2.597 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC)c1ccc(C)cc1 ZINC000037074057 358467992 /nfs/dbraw/zinc/46/79/92/358467992.db2.gz YITPUHRSUPJSAB-AAEUAGOBSA-N 1 2 235.327 2.597 20 0 BFADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)[C@H]1C1CC1 ZINC000290702287 352237292 /nfs/dbraw/zinc/23/72/92/352237292.db2.gz NOWVESQKBQXMRH-ZDUSSCGKSA-N 1 2 243.354 2.979 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cnns1 ZINC000290025254 352207717 /nfs/dbraw/zinc/20/77/17/352207717.db2.gz MYGZUFNIZZDZOF-LBPRGKRZSA-N 1 2 248.355 2.516 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cnns1 ZINC000290025254 352207719 /nfs/dbraw/zinc/20/77/19/352207719.db2.gz MYGZUFNIZZDZOF-LBPRGKRZSA-N 1 2 248.355 2.516 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2C)[nH]1 ZINC000411124923 191159476 /nfs/dbraw/zinc/15/94/76/191159476.db2.gz IEFMTMOPVBTSAO-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2C)[nH]1 ZINC000411124923 191159479 /nfs/dbraw/zinc/15/94/79/191159479.db2.gz IEFMTMOPVBTSAO-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC000411148900 191164735 /nfs/dbraw/zinc/16/47/35/191164735.db2.gz OJOIVSHPAPZIAO-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2)[nH]1 ZINC000411148900 191164738 /nfs/dbraw/zinc/16/47/38/191164738.db2.gz OJOIVSHPAPZIAO-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C34CC(C3)C4)cc2[nH+]1 ZINC000623623285 363168224 /nfs/dbraw/zinc/16/82/24/363168224.db2.gz GSOFTTKKIKLODP-UHFFFAOYSA-N 1 2 241.294 2.610 20 0 BFADLO c1[nH+]c2c(cc1N[C@H]1CCCOC1)CCCC2 ZINC000335985944 538102399 /nfs/dbraw/zinc/10/23/99/538102399.db2.gz FZNLXPJQDRLYJF-LBPRGKRZSA-N 1 2 232.327 2.551 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cc(C)ncn1 ZINC000291862515 352292458 /nfs/dbraw/zinc/29/24/58/352292458.db2.gz IXRUAWMSCJEBPK-UHFFFAOYSA-N 1 2 243.310 2.630 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)c1cscn1 ZINC000380238569 352304432 /nfs/dbraw/zinc/30/44/32/352304432.db2.gz MWYZJRKRFPDYDO-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO CCC[N@H+](CC(F)F)C1CC(OC(C)C)C1 ZINC000411230622 191170655 /nfs/dbraw/zinc/17/06/55/191170655.db2.gz VJLHBTWJHMTLEK-UHFFFAOYSA-N 1 2 235.318 2.920 20 0 BFADLO CCC[N@@H+](CC(F)F)C1CC(OC(C)C)C1 ZINC000411230622 191170657 /nfs/dbraw/zinc/17/06/57/191170657.db2.gz VJLHBTWJHMTLEK-UHFFFAOYSA-N 1 2 235.318 2.920 20 0 BFADLO CC[N@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295406962 352411424 /nfs/dbraw/zinc/41/14/24/352411424.db2.gz RGOBQZCJXKFGJH-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[N@@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295406962 352411428 /nfs/dbraw/zinc/41/14/28/352411428.db2.gz RGOBQZCJXKFGJH-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556937 191194762 /nfs/dbraw/zinc/19/47/62/191194762.db2.gz JQMRXJXABHZVJM-BPNCWPANSA-N 1 2 247.313 2.593 20 0 BFADLO C[C@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556937 191194764 /nfs/dbraw/zinc/19/47/64/191194764.db2.gz JQMRXJXABHZVJM-BPNCWPANSA-N 1 2 247.313 2.593 20 0 BFADLO CCc1noc(C[N@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000073641605 352548996 /nfs/dbraw/zinc/54/89/96/352548996.db2.gz SNTYGGYWSCQTCK-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1 ZINC000073641605 352549002 /nfs/dbraw/zinc/54/90/02/352549002.db2.gz SNTYGGYWSCQTCK-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000073637254 352552559 /nfs/dbraw/zinc/55/25/59/352552559.db2.gz VZGUGAKRMQSKAE-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO COCc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000040727301 352603886 /nfs/dbraw/zinc/60/38/86/352603886.db2.gz YRUNVXHBEIODQQ-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO Fc1ccc2oc(C[NH2+]Cc3cocn3)cc2c1 ZINC000608056486 352651509 /nfs/dbraw/zinc/65/15/09/352651509.db2.gz KSVBXVSBDANJEX-UHFFFAOYSA-N 1 2 246.241 2.850 20 0 BFADLO CO[C@@H](CNc1ccc(SC)c[nH+]1)C1CC1 ZINC000638760275 352697934 /nfs/dbraw/zinc/69/79/34/352697934.db2.gz RAPMNWMNJFUNPC-NSHDSACASA-N 1 2 238.356 2.640 20 0 BFADLO CCN(Cc1[nH+]ccn1CC)Cc1occc1C ZINC000412024675 191240099 /nfs/dbraw/zinc/24/00/99/191240099.db2.gz GNCLXYAHFNISSA-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCn1ccnc1C[N@H+](CC)Cc1occc1C ZINC000412024675 191240102 /nfs/dbraw/zinc/24/01/02/191240102.db2.gz GNCLXYAHFNISSA-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCn1ccnc1C[N@@H+](CC)Cc1occc1C ZINC000412024675 191240105 /nfs/dbraw/zinc/24/01/05/191240105.db2.gz GNCLXYAHFNISSA-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO Fc1ccc2c(c1)CN(c1cccc[nH+]1)CCO2 ZINC000334179048 352765245 /nfs/dbraw/zinc/76/52/45/352765245.db2.gz ACEKQSZYDVWVEN-UHFFFAOYSA-N 1 2 244.269 2.620 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)C3=CCC3)ccc2n1C ZINC000334185384 352774119 /nfs/dbraw/zinc/77/41/19/352774119.db2.gz FIXOWIQGYAAELP-UHFFFAOYSA-N 1 2 241.294 2.540 20 0 BFADLO CC(C)[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000366788955 352826860 /nfs/dbraw/zinc/82/68/60/352826860.db2.gz INBPSRACBIDNLM-YPMHNXCESA-N 1 2 244.342 2.528 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000334201564 352794884 /nfs/dbraw/zinc/79/48/84/352794884.db2.gz OGRYTMRVPZYZFC-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000334201564 352794885 /nfs/dbraw/zinc/79/48/85/352794885.db2.gz OGRYTMRVPZYZFC-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO CCCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412082934 191255778 /nfs/dbraw/zinc/25/57/78/191255778.db2.gz YVJMFDWPKHPHPQ-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CCCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412082934 191255780 /nfs/dbraw/zinc/25/57/80/191255780.db2.gz YVJMFDWPKHPHPQ-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1(C)CCCCCC1 ZINC000334256596 352867028 /nfs/dbraw/zinc/86/70/28/352867028.db2.gz MFVAZOIXOHRQJD-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO C/C=C\C[C@@H]([NH2+]C1CC(CC)C1)C(=O)OCC ZINC000342854354 352876611 /nfs/dbraw/zinc/87/66/11/352876611.db2.gz QGSSRJUDCLLGGM-WANCBAIYSA-N 1 2 239.359 2.663 20 0 BFADLO c1[nH+]c2ccccn2c1CS[C@H]1CCCOC1 ZINC000334285355 352924573 /nfs/dbraw/zinc/92/45/73/352924573.db2.gz GKEQUFKQQZRRNZ-LBPRGKRZSA-N 1 2 248.351 2.747 20 0 BFADLO Cc1c[nH+]cc(NCc2ccc(C)nc2)c1 ZINC000231323168 538105763 /nfs/dbraw/zinc/10/57/63/538105763.db2.gz MWTLGBJPNKJEBR-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1ccc(C)c(CN2CCn3cc[nH+]c3C2)c1 ZINC000334264250 352898965 /nfs/dbraw/zinc/89/89/65/352898965.db2.gz KQGJTTLDWSKXAS-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C)c(C[N@@H+]2CCn3ccnc3C2)c1 ZINC000334264250 352898967 /nfs/dbraw/zinc/89/89/67/352898967.db2.gz KQGJTTLDWSKXAS-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C)c(C[N@H+]2CCn3ccnc3C2)c1 ZINC000334264250 352898970 /nfs/dbraw/zinc/89/89/70/352898970.db2.gz KQGJTTLDWSKXAS-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO c1[nH]nc2cc(CCNc3cccc[nH+]3)ccc12 ZINC000343097607 352964087 /nfs/dbraw/zinc/96/40/87/352964087.db2.gz VAMJJSCPHWDBEX-UHFFFAOYSA-N 1 2 238.294 2.613 20 0 BFADLO CO[C@@H]1CCC[C@@H](Nc2c[nH+]cc(C)c2)C1 ZINC000232073333 538108000 /nfs/dbraw/zinc/10/80/00/538108000.db2.gz STCACEOJCRVURS-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H]([NH2+]c1ccc(-n2ccnn2)cc1)C1CCC1 ZINC000195094078 188005849 /nfs/dbraw/zinc/00/58/49/188005849.db2.gz SETMISAXYLPUCR-LLVKDONJSA-N 1 2 242.326 2.868 20 0 BFADLO CC(C)CCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000608093914 353123665 /nfs/dbraw/zinc/12/36/65/353123665.db2.gz HPHXBVYVXSOJTJ-UHFFFAOYSA-N 1 2 248.355 2.801 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000338883302 188018638 /nfs/dbraw/zinc/01/86/38/188018638.db2.gz LEKLALHDPBJFLQ-WOPDTQHZSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)C[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000274184967 188026923 /nfs/dbraw/zinc/02/69/23/188026923.db2.gz PQAQAWYEBYOAKZ-NSHDSACASA-N 1 2 245.326 2.955 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H](C)[C@H]1C ZINC000287601236 188035228 /nfs/dbraw/zinc/03/52/28/188035228.db2.gz SBIUWTVLPGMUFP-JOYOIKCWSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000287601238 188035352 /nfs/dbraw/zinc/03/53/52/188035352.db2.gz SBIUWTVLPGMUFP-SKDRFNHKSA-N 1 2 247.342 2.961 20 0 BFADLO C1=C(CC[C@@H]2CCCCO2)N2CC[NH+]=C2S1 ZINC000294925054 188038036 /nfs/dbraw/zinc/03/80/36/188038036.db2.gz COGRXTLFKDEYRU-NSHDSACASA-N 1 2 238.356 2.596 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353611673 188043341 /nfs/dbraw/zinc/04/33/41/188043341.db2.gz ZQXVQYCGQCFGBF-MBNYWOFBSA-N 1 2 248.370 2.539 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353611673 188043342 /nfs/dbraw/zinc/04/33/42/188043342.db2.gz ZQXVQYCGQCFGBF-MBNYWOFBSA-N 1 2 248.370 2.539 20 0 BFADLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000336222820 188053788 /nfs/dbraw/zinc/05/37/88/188053788.db2.gz NUGBFZSDGJHKKK-VIFPVBQESA-N 1 2 242.363 2.984 20 0 BFADLO CC(C)(C)c1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000336222820 188053790 /nfs/dbraw/zinc/05/37/90/188053790.db2.gz NUGBFZSDGJHKKK-VIFPVBQESA-N 1 2 242.363 2.984 20 0 BFADLO CC[C@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC000134926669 538109453 /nfs/dbraw/zinc/10/94/53/538109453.db2.gz TZVQROOPXDQKGJ-OCCSQVGLSA-N 1 2 249.354 2.549 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC000134926648 538109455 /nfs/dbraw/zinc/10/94/55/538109455.db2.gz TZVQROOPXDQKGJ-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1ccc(CNc2cc[nH+]cc2F)nc1 ZINC000309838081 538111054 /nfs/dbraw/zinc/11/10/54/538111054.db2.gz BWCTZXZDYVBSGM-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1ccsc1C[NH2+][C@H](C)c1cn[nH]c1C ZINC000134552134 538113139 /nfs/dbraw/zinc/11/31/39/538113139.db2.gz QOCKJDXBDRGHTF-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO Cc1nc(N(C)Cc2ccc(F)cc2)cc[nH+]1 ZINC000360963314 188243416 /nfs/dbraw/zinc/24/34/16/188243416.db2.gz BJNXJWKWLAJKQV-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360943812 188244170 /nfs/dbraw/zinc/24/41/70/188244170.db2.gz JTALQQNWLYVSFY-NWDGAFQWSA-N 1 2 249.358 2.755 20 0 BFADLO CC(C)=CC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000006494589 188268913 /nfs/dbraw/zinc/26/89/13/188268913.db2.gz UQQZLICQYDBFRY-LBPRGKRZSA-N 1 2 244.338 2.795 20 0 BFADLO CC(C)=CC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000006494589 188268915 /nfs/dbraw/zinc/26/89/15/188268915.db2.gz UQQZLICQYDBFRY-LBPRGKRZSA-N 1 2 244.338 2.795 20 0 BFADLO CSc1ccc(NCc2ccn(C)c2)[nH+]c1 ZINC000126879471 188330192 /nfs/dbraw/zinc/33/01/92/188330192.db2.gz HMUKFVOPWYGCCQ-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CCCc1cccc(C[N@H+](CC)CC(=O)OC)c1 ZINC000360882746 188333181 /nfs/dbraw/zinc/33/31/81/188333181.db2.gz GNVOSNSTLRLOGF-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCCc1cccc(C[N@@H+](CC)CC(=O)OC)c1 ZINC000360882746 188333183 /nfs/dbraw/zinc/33/31/83/188333183.db2.gz GNVOSNSTLRLOGF-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO C/C(=C\C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000170956893 188338363 /nfs/dbraw/zinc/33/83/63/188338363.db2.gz OTQRXOZFRRYVEQ-VQHVLOKHSA-N 1 2 216.284 2.685 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@H]1CCSC1)C(F)(F)F ZINC000308842256 188341567 /nfs/dbraw/zinc/34/15/67/188341567.db2.gz KNVDMBHDNPERQU-BDAKNGLRSA-N 1 2 241.322 2.916 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000639061076 353368181 /nfs/dbraw/zinc/36/81/81/353368181.db2.gz MDMDWSJOJBEPDX-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c(F)c1 ZINC000639061076 353368184 /nfs/dbraw/zinc/36/81/84/353368184.db2.gz MDMDWSJOJBEPDX-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO CC[C@@H](C)[C@H](C[N@H+](CC)CC(F)F)OC ZINC000639062594 353372873 /nfs/dbraw/zinc/37/28/73/353372873.db2.gz RDPJRMIRUVAHEE-ZJUUUORDSA-N 1 2 223.307 2.635 20 0 BFADLO CC[C@@H](C)[C@H](C[N@@H+](CC)CC(F)F)OC ZINC000639062594 353372877 /nfs/dbraw/zinc/37/28/77/353372877.db2.gz RDPJRMIRUVAHEE-ZJUUUORDSA-N 1 2 223.307 2.635 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(F)(F)F ZINC000309384701 188344843 /nfs/dbraw/zinc/34/48/43/188344843.db2.gz SNAHLBACZIJVLF-BBBLOLIVSA-N 1 2 239.281 2.588 20 0 BFADLO CC(C)N(C)c1ccc(CNc2ccon2)c[nH+]1 ZINC000191518226 188351087 /nfs/dbraw/zinc/35/10/87/188351087.db2.gz YMTNHYPITKPAEX-UHFFFAOYSA-N 1 2 246.314 2.526 20 0 BFADLO C=Cn1cc(C[NH2+][C@@H](C)c2ncc(C)s2)cn1 ZINC000194355105 188352232 /nfs/dbraw/zinc/35/22/32/188352232.db2.gz GNKQVDJVLSBRAC-JTQLQIEISA-N 1 2 248.355 2.599 20 0 BFADLO CCCCc1nc(C[N@H+](C)C[C@H](C)CC)no1 ZINC000111253878 188354475 /nfs/dbraw/zinc/35/44/75/188354475.db2.gz NJHDVXFQGFLCGK-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO CCCCc1nc(C[N@@H+](C)C[C@H](C)CC)no1 ZINC000111253878 188354477 /nfs/dbraw/zinc/35/44/77/188354477.db2.gz NJHDVXFQGFLCGK-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO CC(C)(CO)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000266210340 188372071 /nfs/dbraw/zinc/37/20/71/188372071.db2.gz GAPGGQRBWQGPMW-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO Cc1cnc(C[NH2+]Cc2csc(C)c2C)o1 ZINC000639082677 353420517 /nfs/dbraw/zinc/42/05/17/353420517.db2.gz VTGUADRMWQCHCC-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO CC1(C)CCC[C@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000133592149 353422177 /nfs/dbraw/zinc/42/21/77/353422177.db2.gz GLCJHYSRNBRPBH-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO CC(C)(C)c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000264629060 188371693 /nfs/dbraw/zinc/37/16/93/188371693.db2.gz OFXJEDRLXJCUQK-UHFFFAOYSA-N 1 2 242.282 2.682 20 0 BFADLO CC(C)([NH2+]Cc1cc[nH]n1)c1ccccc1F ZINC000291799823 188389939 /nfs/dbraw/zinc/38/99/39/188389939.db2.gz XAMDOXMMUHMLBP-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO C[C@H](CCC(C)(C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283868162 188385526 /nfs/dbraw/zinc/38/55/26/188385526.db2.gz HSXJHKUJFALMFX-MVIFTORASA-N 1 2 249.358 2.754 20 0 BFADLO CCc1[nH]ccc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000285593923 188387407 /nfs/dbraw/zinc/38/74/07/188387407.db2.gz HYGIRGVULROXML-UHFFFAOYSA-N 1 2 243.310 2.841 20 0 BFADLO C[C@H]([NH2+]CC(F)F)c1ccc(F)c(F)c1 ZINC000147352198 538117791 /nfs/dbraw/zinc/11/77/91/538117791.db2.gz KRCZDEQSHQJPSP-LURJTMIESA-N 1 2 221.197 2.881 20 0 BFADLO CC(C)=CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000294118368 188392736 /nfs/dbraw/zinc/39/27/36/188392736.db2.gz KNKHMBOJOJLOAS-LLVKDONJSA-N 1 2 248.355 2.511 20 0 BFADLO C[C@H]1CSC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000294951163 188393336 /nfs/dbraw/zinc/39/33/36/188393336.db2.gz VNPDERBJAYAOIE-GWCFXTLKSA-N 1 2 236.384 2.916 20 0 BFADLO C[C@H]1CSC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000294951163 188393337 /nfs/dbraw/zinc/39/33/37/188393337.db2.gz VNPDERBJAYAOIE-GWCFXTLKSA-N 1 2 236.384 2.916 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)CC1CCCC1 ZINC000190734323 353688794 /nfs/dbraw/zinc/68/87/94/353688794.db2.gz RHBUSIFOZTXYQS-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)CC1CCCC1 ZINC000190734323 353688797 /nfs/dbraw/zinc/68/87/97/353688797.db2.gz RHBUSIFOZTXYQS-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H](O)CC1CCCC1 ZINC000190734302 353689025 /nfs/dbraw/zinc/68/90/25/353689025.db2.gz RHBUSIFOZTXYQS-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)CC1CCCC1 ZINC000190734302 353689027 /nfs/dbraw/zinc/68/90/27/353689027.db2.gz RHBUSIFOZTXYQS-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)C(C)(C)CNc1nc[nH+]c(N)c1Cl ZINC000232529984 353729345 /nfs/dbraw/zinc/72/93/45/353729345.db2.gz YBVNLOPSUMOTHY-UHFFFAOYSA-N 1 2 242.754 2.806 20 0 BFADLO CC(C)C(C)(C)CNc1[nH+]cnc(N)c1Cl ZINC000232529984 353729349 /nfs/dbraw/zinc/72/93/49/353729349.db2.gz YBVNLOPSUMOTHY-UHFFFAOYSA-N 1 2 242.754 2.806 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072187617 181012216 /nfs/dbraw/zinc/01/22/16/181012216.db2.gz HLMQQULFDBMXPG-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072187617 181012217 /nfs/dbraw/zinc/01/22/17/181012217.db2.gz HLMQQULFDBMXPG-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO CC(C)([NH2+]Cc1cccc(F)c1N)C(F)F ZINC000639119906 353757590 /nfs/dbraw/zinc/75/75/90/353757590.db2.gz MNAYWDPRNPKNLE-UHFFFAOYSA-N 1 2 232.249 2.541 20 0 BFADLO CC(C)CC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232584250 353737619 /nfs/dbraw/zinc/73/76/19/353737619.db2.gz FQMZTJBICIYWIR-QMMMGPOBSA-N 1 2 242.754 2.949 20 0 BFADLO CC(C)CC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232584250 353737622 /nfs/dbraw/zinc/73/76/22/353737622.db2.gz FQMZTJBICIYWIR-QMMMGPOBSA-N 1 2 242.754 2.949 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000074071129 353742476 /nfs/dbraw/zinc/74/24/76/353742476.db2.gz YAKNPKLETHKHHP-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000074071129 353742479 /nfs/dbraw/zinc/74/24/79/353742479.db2.gz YAKNPKLETHKHHP-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO c1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)sn1 ZINC000639157248 353872574 /nfs/dbraw/zinc/87/25/74/353872574.db2.gz NINULZKOZHFCGO-LBPRGKRZSA-N 1 2 248.355 2.593 20 0 BFADLO c1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)sn1 ZINC000639157248 353872577 /nfs/dbraw/zinc/87/25/77/353872577.db2.gz NINULZKOZHFCGO-LBPRGKRZSA-N 1 2 248.355 2.593 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCO1 ZINC000639137673 353854513 /nfs/dbraw/zinc/85/45/13/353854513.db2.gz FVWYNTGHHSXSFM-QWRGUYRKSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCC[C@H]1CCO1 ZINC000639137673 353854515 /nfs/dbraw/zinc/85/45/15/353854515.db2.gz FVWYNTGHHSXSFM-QWRGUYRKSA-N 1 2 233.302 2.675 20 0 BFADLO CCC[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000639137775 353854779 /nfs/dbraw/zinc/85/47/79/353854779.db2.gz IGWSUTVABOQFPM-MNOVXSKESA-N 1 2 235.318 2.921 20 0 BFADLO CCC[C@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000639137775 353854781 /nfs/dbraw/zinc/85/47/81/353854781.db2.gz IGWSUTVABOQFPM-MNOVXSKESA-N 1 2 235.318 2.921 20 0 BFADLO c1ccc(NC[C@@H]2COc3ccccc32)[nH+]c1 ZINC000334531220 353909571 /nfs/dbraw/zinc/90/95/71/353909571.db2.gz OEQGQTXHFFSGLX-LLVKDONJSA-N 1 2 226.279 2.670 20 0 BFADLO CC(C)c1nc(N[C@@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000343465061 353897774 /nfs/dbraw/zinc/89/77/74/353897774.db2.gz VKEJJWPXLKTRBO-MFKMUULPSA-N 1 2 235.331 2.579 20 0 BFADLO CC(C)c1nc(N[C@]2(C)CCO[C@@H]2C)cc[nH+]1 ZINC000343465062 353897851 /nfs/dbraw/zinc/89/78/51/353897851.db2.gz VKEJJWPXLKTRBO-ZWNOBZJWSA-N 1 2 235.331 2.579 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000343741501 353970283 /nfs/dbraw/zinc/97/02/83/353970283.db2.gz KKWUWUIVJFHCJH-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc(N[C@H]2CC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000343778527 353987820 /nfs/dbraw/zinc/98/78/20/353987820.db2.gz KVCCGPNCZODGCF-CABZTGNLSA-N 1 2 231.343 2.874 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC=C(C)C ZINC000343809886 354011243 /nfs/dbraw/zinc/01/12/43/354011243.db2.gz JHGJPLRAXGWSAQ-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC=C(C)C ZINC000343809886 354011247 /nfs/dbraw/zinc/01/12/47/354011247.db2.gz JHGJPLRAXGWSAQ-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2cccs2)o1 ZINC000053428861 363286364 /nfs/dbraw/zinc/28/63/64/363286364.db2.gz FXJXZYNSELKTPT-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2cccs2)o1 ZINC000053428861 363286369 /nfs/dbraw/zinc/28/63/69/363286369.db2.gz FXJXZYNSELKTPT-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CCOCC(F)(F)C1 ZINC000344076234 354133680 /nfs/dbraw/zinc/13/36/80/354133680.db2.gz SOFKLHUAJPUOHV-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CC(C)(C)CCC[N@H+]1CCOCC(F)(F)C1 ZINC000344076234 354133682 /nfs/dbraw/zinc/13/36/82/354133682.db2.gz SOFKLHUAJPUOHV-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COc1cc[nH+]cc1CSc1ccncc1 ZINC000344081402 354135582 /nfs/dbraw/zinc/13/55/82/354135582.db2.gz XTDUEWIKRFHPFW-UHFFFAOYSA-N 1 2 232.308 2.778 20 0 BFADLO C[N@H+](CCc1ccccc1O)Cc1nccs1 ZINC000344184990 354177395 /nfs/dbraw/zinc/17/73/95/354177395.db2.gz BDBAMXDYUIBUMI-UHFFFAOYSA-N 1 2 248.351 2.523 20 0 BFADLO C[N@@H+](CCc1ccccc1O)Cc1nccs1 ZINC000344184990 354177399 /nfs/dbraw/zinc/17/73/99/354177399.db2.gz BDBAMXDYUIBUMI-UHFFFAOYSA-N 1 2 248.351 2.523 20 0 BFADLO Clc1ccc(C2([NH2+]Cc3c[nH]cn3)CC2)cc1 ZINC000344224647 354182835 /nfs/dbraw/zinc/18/28/35/354182835.db2.gz QWUUKSCVMYUMAX-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO C[C@H]1C[N@H+](Cc2noc(C3CC3)n2)CC(C)(C)C1 ZINC000334589387 354217779 /nfs/dbraw/zinc/21/77/79/354217779.db2.gz RPBBZSZTCWVIEF-SNVBAGLBSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@H]1C[N@@H+](Cc2noc(C3CC3)n2)CC(C)(C)C1 ZINC000334589387 354217783 /nfs/dbraw/zinc/21/77/83/354217783.db2.gz RPBBZSZTCWVIEF-SNVBAGLBSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1nc(N[C@@H](C)CC(F)(F)F)cc[nH+]1 ZINC000231749842 363351396 /nfs/dbraw/zinc/35/13/96/363351396.db2.gz AXLTTZIQTZFSHL-LURJTMIESA-N 1 2 219.210 2.538 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOC[C@@H]2C)s1 ZINC000334598930 354234425 /nfs/dbraw/zinc/23/44/25/354234425.db2.gz FFTKBDSKGBXTIK-VIFPVBQESA-N 1 2 243.397 2.691 20 0 BFADLO CSc1ccc(C[N@H+]2CCOC[C@@H]2C)s1 ZINC000334598930 354234427 /nfs/dbraw/zinc/23/44/27/354234427.db2.gz FFTKBDSKGBXTIK-VIFPVBQESA-N 1 2 243.397 2.691 20 0 BFADLO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000334621868 354359294 /nfs/dbraw/zinc/35/92/94/354359294.db2.gz WQKKHJRHFVSAJC-MRVPVSSYSA-N 1 2 244.747 2.901 20 0 BFADLO NC(=O)[C@H]1CCC[N@H+]1Cc1ccsc1Cl ZINC000334621868 354359295 /nfs/dbraw/zinc/35/92/95/354359295.db2.gz WQKKHJRHFVSAJC-MRVPVSSYSA-N 1 2 244.747 2.901 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)o1 ZINC000639185462 354380605 /nfs/dbraw/zinc/38/06/05/354380605.db2.gz BAUZAPFSZZUFFE-HZMBPMFUSA-N 1 2 244.294 2.595 20 0 BFADLO C[C@H]1CCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334669237 354409148 /nfs/dbraw/zinc/40/91/48/354409148.db2.gz VVNQLIOLRXRBON-WDEREUQCSA-N 1 2 247.342 2.594 20 0 BFADLO C[C@@H]1CCC[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334669233 354409564 /nfs/dbraw/zinc/40/95/64/354409564.db2.gz VVNQLIOLRXRBON-MNOVXSKESA-N 1 2 247.342 2.594 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334650173 354442554 /nfs/dbraw/zinc/44/25/54/354442554.db2.gz AIRXAJZDVBRYKP-VIFPVBQESA-N 1 2 249.383 2.814 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334650173 354442557 /nfs/dbraw/zinc/44/25/57/354442557.db2.gz AIRXAJZDVBRYKP-VIFPVBQESA-N 1 2 249.383 2.814 20 0 BFADLO CCC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CCC1 ZINC000334748536 354473063 /nfs/dbraw/zinc/47/30/63/354473063.db2.gz AZIFRNDETIHREC-WDEREUQCSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC000334710223 354506832 /nfs/dbraw/zinc/50/68/32/354506832.db2.gz ZZZXUMYKBXXFTM-QPUJVOFHSA-N 1 2 247.342 2.927 20 0 BFADLO C[C@@H](C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)C1CCC1 ZINC000334712454 354509742 /nfs/dbraw/zinc/50/97/42/354509742.db2.gz QBKFVFRIXGRDTM-PWSUYJOCSA-N 1 2 247.342 2.509 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)C2=CCCCC2)c2[nH+]ccn21 ZINC000334715173 354513267 /nfs/dbraw/zinc/51/32/67/354513267.db2.gz RCDURCUXOFNQLM-CMPLNLGQSA-N 1 2 245.326 2.506 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000334803940 354560464 /nfs/dbraw/zinc/56/04/64/354560464.db2.gz IOTGVOHLXSAIMR-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000334803940 354560466 /nfs/dbraw/zinc/56/04/66/354560466.db2.gz IOTGVOHLXSAIMR-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nc(C(F)F)no2)[C@H](C)C1 ZINC000335094755 354632891 /nfs/dbraw/zinc/63/28/91/354632891.db2.gz JMWFFYLHZFTSCN-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nc(C(F)F)no2)[C@H](C)C1 ZINC000335094755 354632893 /nfs/dbraw/zinc/63/28/93/354632893.db2.gz JMWFFYLHZFTSCN-HTQZYQBOSA-N 1 2 245.273 2.628 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335099106 354640230 /nfs/dbraw/zinc/64/02/30/354640230.db2.gz UTXKKBFEQDEDQO-UHFFFAOYSA-N 1 2 243.257 2.549 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335099106 354640232 /nfs/dbraw/zinc/64/02/32/354640232.db2.gz UTXKKBFEQDEDQO-UHFFFAOYSA-N 1 2 243.257 2.549 20 0 BFADLO CC[C@@H]1CC[N@@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202459 354608298 /nfs/dbraw/zinc/60/82/98/354608298.db2.gz BVSFFKWDGFDLRM-OLZOCXBDSA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@@H]1CC[N@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202459 354608301 /nfs/dbraw/zinc/60/83/01/354608301.db2.gz BVSFFKWDGFDLRM-OLZOCXBDSA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@@H]1CC[N@@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202458 354608376 /nfs/dbraw/zinc/60/83/76/354608376.db2.gz BVSFFKWDGFDLRM-CHWSQXEVSA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@@H]1CC[N@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202458 354608378 /nfs/dbraw/zinc/60/83/78/354608378.db2.gz BVSFFKWDGFDLRM-CHWSQXEVSA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@H](N[C@@H](c1[nH+]ccn1C)C1CC1)C(F)F ZINC000639213514 354791656 /nfs/dbraw/zinc/79/16/56/354791656.db2.gz HKUJQYRYBOIVBQ-VHSXEESVSA-N 1 2 243.301 2.505 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C(C)C ZINC000335127843 354773478 /nfs/dbraw/zinc/77/34/78/354773478.db2.gz OMSOJHREFPDBKI-JTQLQIEISA-N 1 2 220.316 2.929 20 0 BFADLO CCC(CC)CNc1nc[nH+]c(N)c1Cl ZINC000232871811 363387976 /nfs/dbraw/zinc/38/79/76/363387976.db2.gz UVLWVFICZRCJDN-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CCC(CC)CNc1[nH+]cnc(N)c1Cl ZINC000232871811 363387982 /nfs/dbraw/zinc/38/79/82/363387982.db2.gz UVLWVFICZRCJDN-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO Fc1ccc(F)c(C[NH2+]Cc2nccs2)c1 ZINC000040444109 358491276 /nfs/dbraw/zinc/49/12/76/358491276.db2.gz KVOJNWIGUXGVAD-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000053602537 363418456 /nfs/dbraw/zinc/41/84/56/363418456.db2.gz FOJYBUMHVVNVAM-JTQLQIEISA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC[C@@H]2C)no1 ZINC000053602537 363418460 /nfs/dbraw/zinc/41/84/60/363418460.db2.gz FOJYBUMHVVNVAM-JTQLQIEISA-N 1 2 223.320 2.567 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccns1 ZINC000639219272 354876762 /nfs/dbraw/zinc/87/67/62/354876762.db2.gz GRANIOQNBODUCJ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccns1 ZINC000639219272 354876765 /nfs/dbraw/zinc/87/67/65/354876765.db2.gz GRANIOQNBODUCJ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000053608948 363420903 /nfs/dbraw/zinc/42/09/03/363420903.db2.gz JVQXVJIGUKGYMV-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000053608948 363420904 /nfs/dbraw/zinc/42/09/04/363420904.db2.gz JVQXVJIGUKGYMV-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)n1cncc1C[NH+]1Cc2ccccc2C1 ZINC000335146285 354857073 /nfs/dbraw/zinc/85/70/73/354857073.db2.gz ITBICSKMMYZIKU-UHFFFAOYSA-N 1 2 241.338 2.980 20 0 BFADLO CC(C)n1c[nH+]cc1CN1Cc2ccccc2C1 ZINC000335146285 354857074 /nfs/dbraw/zinc/85/70/74/354857074.db2.gz ITBICSKMMYZIKU-UHFFFAOYSA-N 1 2 241.338 2.980 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@H]2C(C)(C)C)c[nH+]1 ZINC000412808969 191312732 /nfs/dbraw/zinc/31/27/32/191312732.db2.gz HDALNSKCLCFCFA-MNOVXSKESA-N 1 2 249.358 2.663 20 0 BFADLO CC1(C)C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000351973020 134025144 /nfs/dbraw/zinc/02/51/44/134025144.db2.gz ZQMHRDFQLPRDCI-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000351973020 134025145 /nfs/dbraw/zinc/02/51/45/134025145.db2.gz ZQMHRDFQLPRDCI-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2cccc(O)c2)C1 ZINC000040502278 358492846 /nfs/dbraw/zinc/49/28/46/358492846.db2.gz HHUWMKKHGIXMTF-GXTWGEPZSA-N 1 2 248.370 2.527 20 0 BFADLO CC[N@H+]1CCC[C@@H](N[C@@H](C)c2cccc(O)c2)C1 ZINC000040502278 358492847 /nfs/dbraw/zinc/49/28/47/358492847.db2.gz HHUWMKKHGIXMTF-GXTWGEPZSA-N 1 2 248.370 2.527 20 0 BFADLO CC(C)CN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000346947540 355161341 /nfs/dbraw/zinc/16/13/41/355161341.db2.gz OPRCDTYOKLWOHI-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CC(C)CN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000346947540 355161342 /nfs/dbraw/zinc/16/13/42/355161342.db2.gz OPRCDTYOKLWOHI-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO Cc1cc(NC[C@H](C)c2ccc(F)cc2)nc[nH+]1 ZINC000346948027 355162595 /nfs/dbraw/zinc/16/25/95/355162595.db2.gz WLAVLJYIYHXHOE-JTQLQIEISA-N 1 2 245.301 2.562 20 0 BFADLO CN(Cc1ccoc1)c1cc[nH+]c(C2CC2)n1 ZINC000346950398 355163085 /nfs/dbraw/zinc/16/30/85/355163085.db2.gz YMWVSGMXLNPYSZ-UHFFFAOYSA-N 1 2 229.283 2.583 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000639229770 355157081 /nfs/dbraw/zinc/15/70/81/355157081.db2.gz YIMXQRMUBSZGIT-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000639229770 355157085 /nfs/dbraw/zinc/15/70/85/355157085.db2.gz YIMXQRMUBSZGIT-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@]2(C)CCCO2)c(C)[nH+]1 ZINC000335251733 355173539 /nfs/dbraw/zinc/17/35/39/355173539.db2.gz JTRKATIKOSPTEX-AWEZNQCLSA-N 1 2 248.326 2.514 20 0 BFADLO CC(C)c1nc(N(C)Cc2ccoc2)cc[nH+]1 ZINC000346928601 355179562 /nfs/dbraw/zinc/17/95/62/355179562.db2.gz DGUSANBCGRXLCD-UHFFFAOYSA-N 1 2 231.299 2.829 20 0 BFADLO CCC(CC)Nc1cc(NC2CC2)nc[nH+]1 ZINC000413024968 191343149 /nfs/dbraw/zinc/34/31/49/191343149.db2.gz OVGSFLZKUOWBAG-UHFFFAOYSA-N 1 2 220.320 2.651 20 0 BFADLO CCC(CC)Nc1cc(NC2CC2)[nH+]cn1 ZINC000413024968 191343152 /nfs/dbraw/zinc/34/31/52/191343152.db2.gz OVGSFLZKUOWBAG-UHFFFAOYSA-N 1 2 220.320 2.651 20 0 BFADLO C[C@@H]1CC(C)(C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000413555169 191396111 /nfs/dbraw/zinc/39/61/11/191396111.db2.gz CQBXNTCMXVLEJI-SNVBAGLBSA-N 1 2 231.343 2.979 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241052 191363982 /nfs/dbraw/zinc/36/39/82/191363982.db2.gz GJKFFCXCWHNSIM-ONGXEEELSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241052 191363985 /nfs/dbraw/zinc/36/39/85/191363985.db2.gz GJKFFCXCWHNSIM-ONGXEEELSA-N 1 2 232.331 2.651 20 0 BFADLO c1nc(NC2CC2)cc(NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000413313713 191371694 /nfs/dbraw/zinc/37/16/94/191371694.db2.gz HSEUWQKXDZTQJQ-JQWIXIFHSA-N 1 2 244.342 2.509 20 0 BFADLO c1nc(NC[C@@H]2C[C@H]2C2CC2)cc(NC2CC2)[nH+]1 ZINC000413313713 191371697 /nfs/dbraw/zinc/37/16/97/191371697.db2.gz HSEUWQKXDZTQJQ-JQWIXIFHSA-N 1 2 244.342 2.509 20 0 BFADLO CSCCCSc1[nH+]cnc2[nH]ccc21 ZINC000413332157 191375342 /nfs/dbraw/zinc/37/53/42/191375342.db2.gz MBAQHDOVIKQDHO-UHFFFAOYSA-N 1 2 239.369 2.803 20 0 BFADLO CCO[C@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000413390005 191378726 /nfs/dbraw/zinc/37/87/26/191378726.db2.gz WNHHMGPTISKVMH-BETUJISGSA-N 1 2 242.322 2.636 20 0 BFADLO C[C@H](CC(=O)N1[C@@H](C)CCC1(C)C)n1cc[nH+]c1 ZINC000583503031 355335087 /nfs/dbraw/zinc/33/50/87/355335087.db2.gz NOTXBSJZJZINKJ-NWDGAFQWSA-N 1 2 249.358 2.624 20 0 BFADLO CCCCC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000042571896 168744352 /nfs/dbraw/zinc/74/43/52/168744352.db2.gz LSSKWJRODNNWHQ-JTQLQIEISA-N 1 2 247.346 2.744 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1F)c1ccon1 ZINC000349232427 355371834 /nfs/dbraw/zinc/37/18/34/355371834.db2.gz BZWAJGDKKNQXRZ-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cnc(C)nc1 ZINC000349235786 355373093 /nfs/dbraw/zinc/37/30/93/355373093.db2.gz UWINRIZEHZKBKL-UHFFFAOYSA-N 1 2 243.310 2.630 20 0 BFADLO Clc1cccc(CN2CCn3cc[nH+]c3C2)c1 ZINC000335780300 355426588 /nfs/dbraw/zinc/42/65/88/355426588.db2.gz HPFVQBDQYWJVBQ-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccon1 ZINC000349835277 355490375 /nfs/dbraw/zinc/49/03/75/355490375.db2.gz PRNDVBPNUYMVOQ-IUCAKERBSA-N 1 2 235.262 2.621 20 0 BFADLO CCc1cc[nH+]cc1NC[C@@](C)(CC)OC ZINC000639293337 355529929 /nfs/dbraw/zinc/52/99/29/355529929.db2.gz CFDQWTUDNROPQI-CYBMUJFWSA-N 1 2 222.332 2.871 20 0 BFADLO C[NH2+]Cc1noc([C@H](C)CC2CCCCC2)n1 ZINC000349876838 355515854 /nfs/dbraw/zinc/51/58/54/355515854.db2.gz DHNHGNCASUXIAR-SNVBAGLBSA-N 1 2 237.347 2.863 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1[nH+]cccc1SC ZINC000639292663 355524015 /nfs/dbraw/zinc/52/40/15/355524015.db2.gz MQKDFJHZYPXFSK-IUCAKERBSA-N 1 2 226.345 2.639 20 0 BFADLO CSc1ccc[nH+]c1NCc1cc(C)no1 ZINC000639292973 355524501 /nfs/dbraw/zinc/52/45/01/355524501.db2.gz PPMGJBRZSOBGFN-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO CCc1ccc([C@H](C)c2nc(C[NH2+]C)no2)cc1 ZINC000349922605 355528899 /nfs/dbraw/zinc/52/88/99/355528899.db2.gz RLIHCHNXWAJTMH-JTQLQIEISA-N 1 2 245.326 2.503 20 0 BFADLO CC1(C)CCC(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000583566990 355648422 /nfs/dbraw/zinc/64/84/22/355648422.db2.gz DGCXEOYSQAGCMM-UHFFFAOYSA-N 1 2 247.342 2.649 20 0 BFADLO Cc1cnc(CNc2c[nH+]cc3c2CCCC3)o1 ZINC000639302778 355649826 /nfs/dbraw/zinc/64/98/26/355649826.db2.gz ISIOQUQMYNMMJO-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO COC[C@@H](Nc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000639303052 355651896 /nfs/dbraw/zinc/65/18/96/355651896.db2.gz LNHCVQMKVVYLTP-OAHLLOKOSA-N 1 2 246.354 2.797 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)[C@H]2CC2(F)F)c1 ZINC000639310083 355666641 /nfs/dbraw/zinc/66/66/41/355666641.db2.gz BNWQFLZVDAALRP-PSASIEDQSA-N 1 2 242.269 2.684 20 0 BFADLO Cc1ccc2c(c1)C[N@H+]([C@@H](C)c1cnccn1)C2 ZINC000335863093 355626628 /nfs/dbraw/zinc/62/66/28/355626628.db2.gz QDHCVXYVFMQTLM-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cnccn1)C2 ZINC000335863093 355626630 /nfs/dbraw/zinc/62/66/30/355626630.db2.gz QDHCVXYVFMQTLM-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000608497630 355824220 /nfs/dbraw/zinc/82/42/20/355824220.db2.gz ITHBTAGOYPBLNC-NXEZZACHSA-N 1 2 240.372 2.563 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@H](C)[C@H]2C)o1 ZINC000608497630 355824221 /nfs/dbraw/zinc/82/42/21/355824221.db2.gz ITHBTAGOYPBLNC-NXEZZACHSA-N 1 2 240.372 2.563 20 0 BFADLO Cc1cnc(C[NH+]2CC(c3ccccc3)C2)o1 ZINC000639361611 355815797 /nfs/dbraw/zinc/81/57/97/355815797.db2.gz KKHXBMHLPLOAAU-UHFFFAOYSA-N 1 2 228.295 2.582 20 0 BFADLO C[C@H](Cc1ccoc1)Nc1c[nH+]cc(N(C)C)c1 ZINC000639364303 355834292 /nfs/dbraw/zinc/83/42/92/355834292.db2.gz HKBQEQCOBNDALU-LLVKDONJSA-N 1 2 245.326 2.784 20 0 BFADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CC1(F)F ZINC000639365704 355839319 /nfs/dbraw/zinc/83/93/19/355839319.db2.gz ROENVZXUQOKLPI-KCJUWKMLSA-N 1 2 241.285 2.603 20 0 BFADLO CCc1nc(C[NH+]2C3CCCC2CCC3)no1 ZINC000608499419 355827836 /nfs/dbraw/zinc/82/78/36/355827836.db2.gz JLIQMNYLCJRCMW-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO Cc1nc(N[C@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000192232220 355961923 /nfs/dbraw/zinc/96/19/23/355961923.db2.gz ORKNHPNOFSURCV-SECBINFHSA-N 1 2 229.283 2.664 20 0 BFADLO C[C@@H]1C[N@@H+]([C@H]2C=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000608750700 355972511 /nfs/dbraw/zinc/97/25/11/355972511.db2.gz PEVZDCOJGKAIOI-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000608750700 355972512 /nfs/dbraw/zinc/97/25/12/355972512.db2.gz PEVZDCOJGKAIOI-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)c2ccon2)cc1 ZINC000351592252 356024161 /nfs/dbraw/zinc/02/41/61/356024161.db2.gz JIIYIWJLVYGINF-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918998 356166104 /nfs/dbraw/zinc/16/61/04/356166104.db2.gz QMHGKPLYLOEJJK-ZJUUUORDSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918998 356166108 /nfs/dbraw/zinc/16/61/08/356166108.db2.gz QMHGKPLYLOEJJK-ZJUUUORDSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918995 356166174 /nfs/dbraw/zinc/16/61/74/356166174.db2.gz QMHGKPLYLOEJJK-NXEZZACHSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335918995 356166175 /nfs/dbraw/zinc/16/61/75/356166175.db2.gz QMHGKPLYLOEJJK-NXEZZACHSA-N 1 2 237.347 2.597 20 0 BFADLO CCc1nc(C[NH+]2CC(C)(C)C2)cs1 ZINC000639402344 356176420 /nfs/dbraw/zinc/17/64/20/356176420.db2.gz BIAVVTYWHBPMDD-UHFFFAOYSA-N 1 2 210.346 2.547 20 0 BFADLO Cc1ccc(NC(=O)N(C)[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000336094254 134079640 /nfs/dbraw/zinc/07/96/40/134079640.db2.gz QVGKPAFHSBOJEB-GFCCVEGCSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CCCC3)cs1 ZINC000336084260 134076174 /nfs/dbraw/zinc/07/61/74/134076174.db2.gz LMUQQVPFROARON-UHFFFAOYSA-N 1 2 222.357 2.828 20 0 BFADLO FC1=CCC[N@H+](C/C=C/c2ccncc2)C1 ZINC000336106879 134082495 /nfs/dbraw/zinc/08/24/95/134082495.db2.gz MWTBTBACBOSGQG-HNQUOIGGSA-N 1 2 218.275 2.654 20 0 BFADLO FC1=CCC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000336106879 134082496 /nfs/dbraw/zinc/08/24/96/134082496.db2.gz MWTBTBACBOSGQG-HNQUOIGGSA-N 1 2 218.275 2.654 20 0 BFADLO CC1(C)C[NH+](Cc2cc(F)ccc2F)C1 ZINC000639407356 356200597 /nfs/dbraw/zinc/20/05/97/356200597.db2.gz XYSPNTGFTVFPHR-UHFFFAOYSA-N 1 2 211.255 2.807 20 0 BFADLO CC1(C)C[NH+](Cc2csc(C3CC3)n2)C1 ZINC000639407743 356200659 /nfs/dbraw/zinc/20/06/59/356200659.db2.gz ZUEYSXCYIXBRBI-UHFFFAOYSA-N 1 2 222.357 2.862 20 0 BFADLO CC[C@@H](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000617637634 356237921 /nfs/dbraw/zinc/23/79/21/356237921.db2.gz ZYCGYAWMWLZVKN-LLVKDONJSA-N 1 2 245.326 2.500 20 0 BFADLO CN(CC1CCC1)c1[nH+]c2ccccc2n1C ZINC000179296001 366239781 /nfs/dbraw/zinc/23/97/81/366239781.db2.gz SDISGLZQSJOJEP-UHFFFAOYSA-N 1 2 229.327 2.810 20 0 BFADLO CCCCC[N@H+](CCO)CC(F)(F)CC ZINC000639487341 356303347 /nfs/dbraw/zinc/30/33/47/356303347.db2.gz LFKBGXHCEJTRSB-UHFFFAOYSA-N 1 2 223.307 2.516 20 0 BFADLO CCCCC[N@@H+](CCO)CC(F)(F)CC ZINC000639487341 356303349 /nfs/dbraw/zinc/30/33/49/356303349.db2.gz LFKBGXHCEJTRSB-UHFFFAOYSA-N 1 2 223.307 2.516 20 0 BFADLO CC(=O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000639492108 356313925 /nfs/dbraw/zinc/31/39/25/356313925.db2.gz UDFFGYUZJPCHMO-AWEZNQCLSA-N 1 2 249.379 2.674 20 0 BFADLO CC(=O)C[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000639492108 356313926 /nfs/dbraw/zinc/31/39/26/356313926.db2.gz UDFFGYUZJPCHMO-AWEZNQCLSA-N 1 2 249.379 2.674 20 0 BFADLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CC(N)=O ZINC000336134791 134095632 /nfs/dbraw/zinc/09/56/32/134095632.db2.gz ZHQKDUVSKNZTFI-RKDXNWHRSA-N 1 2 236.290 2.669 20 0 BFADLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CC(N)=O ZINC000336134791 134095633 /nfs/dbraw/zinc/09/56/33/134095633.db2.gz ZHQKDUVSKNZTFI-RKDXNWHRSA-N 1 2 236.290 2.669 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1noc(CC)n1 ZINC000352399850 356337576 /nfs/dbraw/zinc/33/75/76/356337576.db2.gz VWOBYUVGCLWPNO-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1noc(CC)n1 ZINC000352399850 356337578 /nfs/dbraw/zinc/33/75/78/356337578.db2.gz VWOBYUVGCLWPNO-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO Fc1cccc(C[NH2+]Cc2ccco2)c1F ZINC000035223194 356420233 /nfs/dbraw/zinc/42/02/33/356420233.db2.gz COOFECASYWWEIH-UHFFFAOYSA-N 1 2 223.222 2.848 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+]2CCCC(C)(C)C2)n1 ZINC000420919652 192273613 /nfs/dbraw/zinc/27/36/13/192273613.db2.gz ZUNWZJVCOUPUGM-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cn1cc(Cl)c(C[N@H+]2CCCC(C)(C)C2)n1 ZINC000420919652 192273615 /nfs/dbraw/zinc/27/36/15/192273615.db2.gz ZUNWZJVCOUPUGM-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CC(=O)C[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000639610519 356528486 /nfs/dbraw/zinc/52/84/86/356528486.db2.gz XORVTXXSNGUCPG-UHFFFAOYSA-N 1 2 231.339 2.757 20 0 BFADLO CC(=O)C[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000639610519 356528489 /nfs/dbraw/zinc/52/84/89/356528489.db2.gz XORVTXXSNGUCPG-UHFFFAOYSA-N 1 2 231.339 2.757 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](CC(=O)c2ccccc2F)C1 ZINC000639624409 356538116 /nfs/dbraw/zinc/53/81/16/356538116.db2.gz QMDSWYOBPVGXCE-LLVKDONJSA-N 1 2 247.313 2.906 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000639624409 356538119 /nfs/dbraw/zinc/53/81/19/356538119.db2.gz QMDSWYOBPVGXCE-LLVKDONJSA-N 1 2 247.313 2.906 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639624080 356543191 /nfs/dbraw/zinc/54/31/91/356543191.db2.gz OFPHSFDQSOTIRR-SNVBAGLBSA-N 1 2 247.342 2.735 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639624080 356543194 /nfs/dbraw/zinc/54/31/94/356543194.db2.gz OFPHSFDQSOTIRR-SNVBAGLBSA-N 1 2 247.342 2.735 20 0 BFADLO CC[C@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000421207260 192313281 /nfs/dbraw/zinc/31/32/81/192313281.db2.gz VVCYHYUZPVHQJW-FZMZJTMJSA-N 1 2 249.354 2.845 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000639650097 356562120 /nfs/dbraw/zinc/56/21/20/356562120.db2.gz VYDYEGBMJQABML-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000639650097 356562125 /nfs/dbraw/zinc/56/21/25/356562125.db2.gz VYDYEGBMJQABML-WDEREUQCSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000639658378 356566149 /nfs/dbraw/zinc/56/61/49/356566149.db2.gz GLNKVTHYEJXFRD-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000639658378 356566152 /nfs/dbraw/zinc/56/61/52/356566152.db2.gz GLNKVTHYEJXFRD-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000639658377 356566222 /nfs/dbraw/zinc/56/62/22/356566222.db2.gz GLNKVTHYEJXFRD-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000639658377 356566224 /nfs/dbraw/zinc/56/62/24/356566224.db2.gz GLNKVTHYEJXFRD-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CCN1[C@H](C)C[N@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000639743067 356634803 /nfs/dbraw/zinc/63/48/03/356634803.db2.gz GJDBFOPXOSGQKF-MJBXVCDLSA-N 1 2 247.386 2.557 20 0 BFADLO CCN1[C@H](C)C[N@@H+]([C@@H](C)c2cccnc2)C[C@@H]1C ZINC000639743067 356634805 /nfs/dbraw/zinc/63/48/05/356634805.db2.gz GJDBFOPXOSGQKF-MJBXVCDLSA-N 1 2 247.386 2.557 20 0 BFADLO OCc1cc[nH+]c(NC[C@H]2CCCC23CC3)c1 ZINC000630094076 363534253 /nfs/dbraw/zinc/53/42/53/363534253.db2.gz VFVHPFVYVPPUKU-GFCCVEGCSA-N 1 2 232.327 2.566 20 0 BFADLO CC[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000129955129 324996618 /nfs/dbraw/zinc/99/66/18/324996618.db2.gz ZHMKOBSFOHVKRF-GHMZBOCLSA-N 1 2 205.305 2.776 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cnns2)cc1 ZINC000450236798 202103525 /nfs/dbraw/zinc/10/35/25/202103525.db2.gz GHRZHSXJNPFVNZ-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cnns2)cc1 ZINC000450236798 202103528 /nfs/dbraw/zinc/10/35/28/202103528.db2.gz GHRZHSXJNPFVNZ-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO C[C@@H](c1csnn1)[N@H+](C)CCc1ccccc1 ZINC000450271342 202115989 /nfs/dbraw/zinc/11/59/89/202115989.db2.gz QCXHMLLUCOGQGH-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+](C)CCc1ccccc1 ZINC000450271342 202115993 /nfs/dbraw/zinc/11/59/93/202115993.db2.gz QCXHMLLUCOGQGH-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO COc1ccc[nH+]c1NCCC(C)(C)C ZINC000130095054 325012519 /nfs/dbraw/zinc/01/25/19/325012519.db2.gz IEZAQNBIQCWGHW-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO Cc1cc(NC(=O)N(C)C2CCCC2)cc[nH+]1 ZINC000179799049 366309708 /nfs/dbraw/zinc/30/97/08/366309708.db2.gz JZZPWWVZLFCMLF-UHFFFAOYSA-N 1 2 233.315 2.796 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(C)(F)F ZINC000389481606 356688158 /nfs/dbraw/zinc/68/81/58/356688158.db2.gz VVBOCCXMLJCDLB-DTWKUNHWSA-N 1 2 214.259 2.776 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000389477906 356685867 /nfs/dbraw/zinc/68/58/67/356685867.db2.gz BBKWQKNVCVEFBC-DTWKUNHWSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccncc1C[NH2+][C@H](C)C(C)(F)F ZINC000389479222 356686534 /nfs/dbraw/zinc/68/65/34/356686534.db2.gz SNIPJENUXZMYLS-SECBINFHSA-N 1 2 214.259 2.523 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnn[nH]2)s1 ZINC000450403330 202156978 /nfs/dbraw/zinc/15/69/78/202156978.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cnn[nH]2)s1 ZINC000450403330 202156981 /nfs/dbraw/zinc/15/69/81/202156981.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c[nH]nn2)s1 ZINC000450403330 202156983 /nfs/dbraw/zinc/15/69/83/202156983.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]nn2)s1 ZINC000450403330 202156985 /nfs/dbraw/zinc/15/69/85/202156985.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cn[nH]n2)s1 ZINC000450403330 202156988 /nfs/dbraw/zinc/15/69/88/202156988.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cn[nH]n2)s1 ZINC000450403330 202156990 /nfs/dbraw/zinc/15/69/90/202156990.db2.gz CWDXRSIVRFORKX-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000639779080 356726335 /nfs/dbraw/zinc/72/63/35/356726335.db2.gz XGULGOPPTYTQHL-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)cs1 ZINC000639779080 356726338 /nfs/dbraw/zinc/72/63/38/356726338.db2.gz XGULGOPPTYTQHL-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1[nH]ncc1C ZINC000356296062 356793118 /nfs/dbraw/zinc/79/31/18/356793118.db2.gz IEPSCBHOJXCYBW-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1[nH]ncc1C ZINC000356296062 356793120 /nfs/dbraw/zinc/79/31/20/356793120.db2.gz IEPSCBHOJXCYBW-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1n[nH]cc1C ZINC000356296062 356793122 /nfs/dbraw/zinc/79/31/22/356793122.db2.gz IEPSCBHOJXCYBW-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1n[nH]cc1C ZINC000356296062 356793123 /nfs/dbraw/zinc/79/31/23/356793123.db2.gz IEPSCBHOJXCYBW-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@H+](Cc1ccncc1)[C@@H](C)c1ncc(C)o1 ZINC000356989139 356811324 /nfs/dbraw/zinc/81/13/24/356811324.db2.gz RKPMKIWGTYSMJW-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccncc1)[C@@H](C)c1ncc(C)o1 ZINC000356989139 356811328 /nfs/dbraw/zinc/81/13/28/356811328.db2.gz RKPMKIWGTYSMJW-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@H+](CC[C@H](C)O)c1cc(C)ccc1C ZINC000450515732 202188388 /nfs/dbraw/zinc/18/83/88/202188388.db2.gz IYMVTBWZLIHXLB-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@H](C)O)c1cc(C)ccc1C ZINC000450515732 202188391 /nfs/dbraw/zinc/18/83/91/202188391.db2.gz IYMVTBWZLIHXLB-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO CSC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000399538465 356972807 /nfs/dbraw/zinc/97/28/07/356972807.db2.gz VPZGJAAKKDAAFL-UHFFFAOYSA-N 1 2 247.367 2.594 20 0 BFADLO CCC(C)(C)CCNC(=O)Nc1cc[nH+]cc1C ZINC000639900374 357284089 /nfs/dbraw/zinc/28/40/89/357284089.db2.gz SDRJMVLQAFIWPZ-UHFFFAOYSA-N 1 2 249.358 2.760 20 0 BFADLO CCc1ccc(CNc2cc[nH+]cc2F)s1 ZINC000393809210 357301059 /nfs/dbraw/zinc/30/10/59/357301059.db2.gz RGZKOGPFLOAPFC-UHFFFAOYSA-N 1 2 236.315 2.879 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CCCO3)c(C)s1 ZINC000628427124 357255999 /nfs/dbraw/zinc/25/59/99/357255999.db2.gz HTUJIVAKKLUUKH-UHFFFAOYSA-N 1 2 237.368 2.730 20 0 BFADLO Fc1ccc(/C=C\C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628427069 357256082 /nfs/dbraw/zinc/25/60/82/357256082.db2.gz DIXXFGSKIYFPJQ-IWQZZHSRSA-N 1 2 247.313 2.704 20 0 BFADLO C/C(=C/c1ccccc1)C[NH+]1CC2(C1)CCCO2 ZINC000628426968 357257479 /nfs/dbraw/zinc/25/74/79/357257479.db2.gz XSKPRQJUGSRSSU-UVTDQMKNSA-N 1 2 243.350 2.955 20 0 BFADLO CC(=O)C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000639898754 357275518 /nfs/dbraw/zinc/27/55/18/357275518.db2.gz XBAZNAFRSYDHJI-UHFFFAOYSA-N 1 2 239.265 2.523 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000582494044 357316364 /nfs/dbraw/zinc/31/63/64/357316364.db2.gz MNVMUFSYDQLLSX-MDZLAQPJSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000582494044 357316368 /nfs/dbraw/zinc/31/63/68/357316368.db2.gz MNVMUFSYDQLLSX-MDZLAQPJSA-N 1 2 235.327 2.624 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1nc(C)c(C)o1 ZINC000102407176 357388170 /nfs/dbraw/zinc/38/81/70/357388170.db2.gz BUJGXSQXQXYBFY-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1nc(C)c(C)o1 ZINC000102407176 357388172 /nfs/dbraw/zinc/38/81/72/357388172.db2.gz BUJGXSQXQXYBFY-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CCCc1nc(C[NH+]2CCC(CC)CC2)no1 ZINC000054990417 363583212 /nfs/dbraw/zinc/58/32/12/363583212.db2.gz YNCWZORTFZZDHO-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1cc(N2C[C@@H](C)CC2(C)C)nc(C)[nH+]1 ZINC000359731999 538856873 /nfs/dbraw/zinc/85/68/73/538856873.db2.gz JQXKWTOYTQHWTR-JTQLQIEISA-N 1 2 233.359 2.972 20 0 BFADLO CC[C@H](C)CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000189028379 357600856 /nfs/dbraw/zinc/60/08/56/357600856.db2.gz ROEODBXGPOONPO-NSHDSACASA-N 1 2 249.358 2.547 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C)CC2)no1 ZINC000063302063 357620644 /nfs/dbraw/zinc/62/06/44/357620644.db2.gz FSYPEIUXJJYIMA-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](C)CC2)no1 ZINC000063302063 357620647 /nfs/dbraw/zinc/62/06/47/357620647.db2.gz FSYPEIUXJJYIMA-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1cncc(NCc2c[nH+]cn2C(C)C)c1 ZINC000232074082 357648195 /nfs/dbraw/zinc/64/81/95/357648195.db2.gz SBBXNKANOIDFFW-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CC[C@@H](C)CN(CC)c1nc[nH+]c(N)c1Cl ZINC000233847319 357756017 /nfs/dbraw/zinc/75/60/17/357756017.db2.gz BVOPJVPHBDGWQV-MRVPVSSYSA-N 1 2 242.754 2.585 20 0 BFADLO CC[C@@H](C)CN(CC)c1[nH+]cnc(N)c1Cl ZINC000233847319 357756020 /nfs/dbraw/zinc/75/60/20/357756020.db2.gz BVOPJVPHBDGWQV-MRVPVSSYSA-N 1 2 242.754 2.585 20 0 BFADLO c1csc(C[N@H+](Cc2ncccn2)C2CC2)c1 ZINC000191891405 357801754 /nfs/dbraw/zinc/80/17/54/357801754.db2.gz JBUBUGOJFIYEGB-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1csc(C[N@@H+](Cc2ncccn2)C2CC2)c1 ZINC000191891405 357801757 /nfs/dbraw/zinc/80/17/57/357801757.db2.gz JBUBUGOJFIYEGB-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1ccc(C[N@H+](Cc2ncccn2)C2CC2)cc1 ZINC000191890321 357802421 /nfs/dbraw/zinc/80/24/21/357802421.db2.gz JDBYXXGDHYESTI-UHFFFAOYSA-N 1 2 239.322 2.641 20 0 BFADLO c1ccc(C[N@@H+](Cc2ncccn2)C2CC2)cc1 ZINC000191890321 357802424 /nfs/dbraw/zinc/80/24/24/357802424.db2.gz JDBYXXGDHYESTI-UHFFFAOYSA-N 1 2 239.322 2.641 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cocn2)o1 ZINC000397990996 357821511 /nfs/dbraw/zinc/82/15/11/357821511.db2.gz XDILRGFHMDCGJB-CABZTGNLSA-N 1 2 232.283 2.681 20 0 BFADLO Cn1nccc1C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929880 357898606 /nfs/dbraw/zinc/89/86/06/357898606.db2.gz RLUHWMLUONPXTD-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1nccc1C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639929880 357898609 /nfs/dbraw/zinc/89/86/09/357898609.db2.gz RLUHWMLUONPXTD-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cnc(C)s2)no1 ZINC000090404688 491120304 /nfs/dbraw/zinc/12/03/04/491120304.db2.gz ZSXHEBDWNWLAOV-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cn1cc[nH+]c1CN(c1ccccc1)C1CCC1 ZINC000640006173 358061361 /nfs/dbraw/zinc/06/13/61/358061361.db2.gz VBPCTTAKANCZJB-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO CCOc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037107961 358064655 /nfs/dbraw/zinc/06/46/55/358064655.db2.gz PGLLFOYFTJPJQO-NSHDSACASA-N 1 2 245.326 2.659 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccn(C)c1)C2 ZINC000628462219 358097822 /nfs/dbraw/zinc/09/78/22/358097822.db2.gz KVFWABPIVGGIOV-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccn(C)c1)C2 ZINC000628462219 358097826 /nfs/dbraw/zinc/09/78/26/358097826.db2.gz KVFWABPIVGGIOV-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO Cc1nnc([C@H](C)[NH+]2CCC(C)(F)CC2)s1 ZINC000640071429 358162023 /nfs/dbraw/zinc/16/20/23/358162023.db2.gz MQHXQNJOYBFQQZ-QMMMGPOBSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1cc[nH+]c(NC[C@H](C)CCCO)c1Cl ZINC000450632632 202218866 /nfs/dbraw/zinc/21/88/66/202218866.db2.gz QULMKESNKDBSJN-SECBINFHSA-N 1 2 242.750 2.864 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000041014193 358240032 /nfs/dbraw/zinc/24/00/32/358240032.db2.gz NVCRSZNCHGBSBW-ZDUSSCGKSA-N 1 2 233.290 2.790 20 0 BFADLO Cc1nc(C[N@H+](C)CCC2=CCCCC2)no1 ZINC000450699184 202237945 /nfs/dbraw/zinc/23/79/45/202237945.db2.gz XILBBJIMVLMGFH-UHFFFAOYSA-N 1 2 235.331 2.700 20 0 BFADLO Cc1nc(C[N@@H+](C)CCC2=CCCCC2)no1 ZINC000450699184 202237948 /nfs/dbraw/zinc/23/79/48/202237948.db2.gz XILBBJIMVLMGFH-UHFFFAOYSA-N 1 2 235.331 2.700 20 0 BFADLO CC(C)[C@H]1C[C@@H](CNc2cccc[nH+]2)CCO1 ZINC000450734042 202248014 /nfs/dbraw/zinc/24/80/14/202248014.db2.gz BAWXUZLOANKFPE-QWHCGFSZSA-N 1 2 234.343 2.945 20 0 BFADLO c1[nH+]c(SCC[C@H]2CCOC2)n2ccccc12 ZINC000450713724 202242953 /nfs/dbraw/zinc/24/29/53/202242953.db2.gz XJQGTHTYHHDEBU-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO CC[C@H](C)[C@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450725041 202246867 /nfs/dbraw/zinc/24/68/67/202246867.db2.gz PQMWGOYMNWFBLY-AAEUAGOBSA-N 1 2 239.359 2.664 20 0 BFADLO CCC(CC)([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450738954 202250824 /nfs/dbraw/zinc/25/08/24/202250824.db2.gz PBHBAYLOCBUJQG-UHFFFAOYSA-N 1 2 239.359 2.808 20 0 BFADLO COc1ccccc1CNc1cc[nH+]cc1F ZINC000180187393 366392234 /nfs/dbraw/zinc/39/22/34/366392234.db2.gz BRLVTKBSTLFWEG-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C2(C)CC2)n1 ZINC000351128737 366419143 /nfs/dbraw/zinc/41/91/43/366419143.db2.gz JYHHUMYTOWMKNR-UHFFFAOYSA-N 1 2 243.310 2.610 20 0 BFADLO CCCc1nc(CCc2[nH+]cccc2C)no1 ZINC000351127561 366417468 /nfs/dbraw/zinc/41/74/68/366417468.db2.gz HGBUIPOKENRSEH-UHFFFAOYSA-N 1 2 231.299 2.511 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC2(CCCC2)C1 ZINC000174268224 134280236 /nfs/dbraw/zinc/28/02/36/134280236.db2.gz LEBBLXBGMOJCGN-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC2(CCCC2)C1 ZINC000174268224 134280237 /nfs/dbraw/zinc/28/02/37/134280237.db2.gz LEBBLXBGMOJCGN-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO COc1ccc[nH+]c1NCCOCCC(C)C ZINC000127978480 358568096 /nfs/dbraw/zinc/56/80/96/358568096.db2.gz WHLUINOTEPRQHQ-UHFFFAOYSA-N 1 2 238.331 2.565 20 0 BFADLO Fc1ccc(CNc2cccc[nH+]2)c(F)c1 ZINC000048330169 358628353 /nfs/dbraw/zinc/62/83/53/358628353.db2.gz XMBDPXSQQGZBBS-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000129812639 358598098 /nfs/dbraw/zinc/59/80/98/358598098.db2.gz UJMBDEVKGISLCX-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)cc1 ZINC000129812639 358598100 /nfs/dbraw/zinc/59/81/00/358598100.db2.gz UJMBDEVKGISLCX-ZDUSSCGKSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CC(C)C)n1 ZINC000351245259 366458906 /nfs/dbraw/zinc/45/89/06/366458906.db2.gz XMBBBMRTWSRFCB-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)c1cncs1 ZINC000134155623 358781903 /nfs/dbraw/zinc/78/19/03/358781903.db2.gz XWDUTXKMIACNNK-MRVPVSSYSA-N 1 2 205.286 2.711 20 0 BFADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000134314946 358786358 /nfs/dbraw/zinc/78/63/58/358786358.db2.gz WZHXZXFJRLZOAV-AAEUAGOBSA-N 1 2 220.316 2.617 20 0 BFADLO CC[C@@H](Nc1ccc(C)[nH+]c1)[C@H]1CCOC1 ZINC000134314968 358786569 /nfs/dbraw/zinc/78/65/69/358786569.db2.gz WZHXZXFJRLZOAV-WCQYABFASA-N 1 2 220.316 2.617 20 0 BFADLO Cc1cc(NC[C@@H]2C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000136088839 358861699 /nfs/dbraw/zinc/86/16/99/358861699.db2.gz ZSBAPWOJVMTQNT-ONGXEEELSA-N 1 2 219.332 2.976 20 0 BFADLO c1cc(C[NH2+]Cc2csc3ccccc23)[nH]n1 ZINC000054463578 358863910 /nfs/dbraw/zinc/86/39/10/358863910.db2.gz AAFGJZOJERVTKW-UHFFFAOYSA-N 1 2 243.335 2.914 20 0 BFADLO Cc1ccc(NCc2cnccc2C)c[nH+]1 ZINC000135468037 358839588 /nfs/dbraw/zinc/83/95/88/358839588.db2.gz PVJTZXZPTLELDI-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000177489711 134298332 /nfs/dbraw/zinc/29/83/32/134298332.db2.gz JETVYFIDJGGCJA-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000177489711 134298333 /nfs/dbraw/zinc/29/83/33/134298333.db2.gz JETVYFIDJGGCJA-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO CC[C@@H](NC(=O)c1cccc(C)c1)c1[nH]cc[nH+]1 ZINC000140680160 358924838 /nfs/dbraw/zinc/92/48/38/358924838.db2.gz AVAMJYUDJHSBHG-GFCCVEGCSA-N 1 2 243.310 2.599 20 0 BFADLO CC(C)CCc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000351412731 366523560 /nfs/dbraw/zinc/52/35/60/366523560.db2.gz VZKVRNCENVVZPE-LLVKDONJSA-N 1 2 248.330 2.658 20 0 BFADLO c1cnn(CCCCC[N@@H+]2OC3CCC2CC3)c1 ZINC000640229300 358939984 /nfs/dbraw/zinc/93/99/84/358939984.db2.gz NKGBASMAYKIPPB-UHFFFAOYSA-N 1 2 249.358 2.612 20 0 BFADLO c1cnn(CCCCC[N@H+]2OC3CCC2CC3)c1 ZINC000640229300 358939988 /nfs/dbraw/zinc/93/99/88/358939988.db2.gz NKGBASMAYKIPPB-UHFFFAOYSA-N 1 2 249.358 2.612 20 0 BFADLO CC1(C)C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000073871152 359107007 /nfs/dbraw/zinc/10/70/07/359107007.db2.gz IOBUZPCLCXDDDG-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000073871152 359107010 /nfs/dbraw/zinc/10/70/10/359107010.db2.gz IOBUZPCLCXDDDG-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CCOc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070445112 359055544 /nfs/dbraw/zinc/05/55/44/359055544.db2.gz YUDOBUSOTNDKFT-NSHDSACASA-N 1 2 245.326 2.992 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccccn1 ZINC000070717633 359062830 /nfs/dbraw/zinc/06/28/30/359062830.db2.gz NRDMZGWIMSKFGM-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1nccs1 ZINC000070733999 359063209 /nfs/dbraw/zinc/06/32/09/359063209.db2.gz KGHXIYMHQCEXLH-SECBINFHSA-N 1 2 234.328 2.805 20 0 BFADLO CC(C)(C)c1nc(NC2CCC2)cc[nH+]1 ZINC000308884501 491139648 /nfs/dbraw/zinc/13/96/48/491139648.db2.gz VJDIURDQFFNWBW-UHFFFAOYSA-N 1 2 205.305 2.739 20 0 BFADLO Cc1nc(NC/C=C/c2ccccc2)cc[nH+]1 ZINC000078254159 359320182 /nfs/dbraw/zinc/32/01/82/359320182.db2.gz FMPOYVZQRGPBLY-VMPITWQZSA-N 1 2 225.295 2.910 20 0 BFADLO FC(F)C1([NH2+]Cc2cc[nH]c2)CCCC1 ZINC000308893075 491139906 /nfs/dbraw/zinc/13/99/06/491139906.db2.gz XZBSZVFPIYBFIL-UHFFFAOYSA-N 1 2 214.259 2.682 20 0 BFADLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000226200801 359444811 /nfs/dbraw/zinc/44/48/11/359444811.db2.gz CAEMHAYQEAMONH-JTQLQIEISA-N 1 2 225.719 2.733 20 0 BFADLO CC[C@H](Nc1[nH+]ccc2ccc(F)cc21)[C@H](C)O ZINC000450801764 202270824 /nfs/dbraw/zinc/27/08/24/202270824.db2.gz SNVVGURNXKDCLC-ZANVPECISA-N 1 2 248.301 2.945 20 0 BFADLO C[C@]12CN(c3cccc[nH+]3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000450932285 202312087 /nfs/dbraw/zinc/31/20/87/202312087.db2.gz NXGPXSFRPDAIQA-QVHKTLOISA-N 1 2 228.339 2.954 20 0 BFADLO COC(=O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000180799689 366549130 /nfs/dbraw/zinc/54/91/30/366549130.db2.gz FRRPYTPYKKKVRX-AWEZNQCLSA-N 1 2 249.354 2.845 20 0 BFADLO CCO[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000450931411 202313187 /nfs/dbraw/zinc/31/31/87/202313187.db2.gz GTVGASYUEGPVGX-VXGBXAGGSA-N 1 2 220.316 2.841 20 0 BFADLO COC[C@@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000450947719 202317098 /nfs/dbraw/zinc/31/70/98/202317098.db2.gz ZKSWUPKORCPGFG-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1cc(CNc2ncc(C)c(C)n2)cc(C)[nH+]1 ZINC000578495863 366579360 /nfs/dbraw/zinc/57/93/60/366579360.db2.gz RZHPBJHUVVAVTR-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451115264 202354350 /nfs/dbraw/zinc/35/43/50/202354350.db2.gz NUHPEJUUPCMRKE-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451115264 202354352 /nfs/dbraw/zinc/35/43/52/202354352.db2.gz NUHPEJUUPCMRKE-DGCLKSJQSA-N 1 2 245.338 2.542 20 0 BFADLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000451190848 202374906 /nfs/dbraw/zinc/37/49/06/202374906.db2.gz GSNSTIDGMHICIJ-NSHDSACASA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(Cl)ccc1C[N@H+]1CC[C@H](F)C1 ZINC000451190848 202374910 /nfs/dbraw/zinc/37/49/10/202374910.db2.gz GSNSTIDGMHICIJ-NSHDSACASA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000451190846 202375445 /nfs/dbraw/zinc/37/54/45/202375445.db2.gz GSNSTIDGMHICIJ-LLVKDONJSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(Cl)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000451190846 202375449 /nfs/dbraw/zinc/37/54/49/202375449.db2.gz GSNSTIDGMHICIJ-LLVKDONJSA-N 1 2 243.709 2.892 20 0 BFADLO C[C@@H]1CCC[C@@H](C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000578634751 366614438 /nfs/dbraw/zinc/61/44/38/366614438.db2.gz IBLRSCQPZSRGHW-GHMZBOCLSA-N 1 2 249.358 2.587 20 0 BFADLO Cc1cccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000578664188 366623098 /nfs/dbraw/zinc/62/30/98/366623098.db2.gz FOSVREYSCGZYLL-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1cccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000578664188 366623103 /nfs/dbraw/zinc/62/31/03/366623103.db2.gz FOSVREYSCGZYLL-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO CCCCN(C)c1nc(C2CC2)[nH+]c(C)c1OC ZINC000578805871 366650139 /nfs/dbraw/zinc/65/01/39/366650139.db2.gz GALQEQNUZPLROP-UHFFFAOYSA-N 1 2 249.358 2.907 20 0 BFADLO CC(C)[C@@]1(C)C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000397222918 359978650 /nfs/dbraw/zinc/97/86/50/359978650.db2.gz LIUMCJCVKSERNG-WRWORJQWSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@@]1(C)C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000397222918 359978652 /nfs/dbraw/zinc/97/86/52/359978652.db2.gz LIUMCJCVKSERNG-WRWORJQWSA-N 1 2 240.738 2.559 20 0 BFADLO CC1(F)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000631517256 360051392 /nfs/dbraw/zinc/05/13/92/360051392.db2.gz WNZDCJASXMXWEJ-UHFFFAOYSA-N 1 2 233.290 2.891 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2ncccc2c1 ZINC000090167190 360060141 /nfs/dbraw/zinc/06/01/41/360060141.db2.gz GQOSTLRHUWEMEL-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cc(C)ccc1F ZINC000091980179 360139872 /nfs/dbraw/zinc/13/98/72/360139872.db2.gz NSSLSLHMZFTCOP-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cc(C)ccc1F ZINC000091980179 360139876 /nfs/dbraw/zinc/13/98/76/360139876.db2.gz NSSLSLHMZFTCOP-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1F ZINC000092018325 360146115 /nfs/dbraw/zinc/14/61/15/360146115.db2.gz YUPPYGQUSDBIST-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1F ZINC000092018325 360146120 /nfs/dbraw/zinc/14/61/20/360146120.db2.gz YUPPYGQUSDBIST-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO CC(C)[C@H](CO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000092401765 360169692 /nfs/dbraw/zinc/16/96/92/360169692.db2.gz VRIPHVYFKFVDJA-VIFPVBQESA-N 1 2 248.248 2.529 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1CCCC1 ZINC000064021826 360174985 /nfs/dbraw/zinc/17/49/85/360174985.db2.gz KENVYHGAPSBGHB-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)CC1CCCC1 ZINC000064021826 360174986 /nfs/dbraw/zinc/17/49/86/360174986.db2.gz KENVYHGAPSBGHB-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO c1c[nH+]c([C@H]2CCCCN2Cc2cncs2)[nH]1 ZINC000092728675 360193062 /nfs/dbraw/zinc/19/30/62/360193062.db2.gz IBZUXUMZWKAFHD-LLVKDONJSA-N 1 2 248.355 2.593 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccc(CC)o2)CCO1 ZINC000093508693 360252703 /nfs/dbraw/zinc/25/27/03/360252703.db2.gz BKLDXJXDDUQOQY-CYBMUJFWSA-N 1 2 237.343 2.843 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccc(CC)o2)CCO1 ZINC000093508693 360252707 /nfs/dbraw/zinc/25/27/07/360252707.db2.gz BKLDXJXDDUQOQY-CYBMUJFWSA-N 1 2 237.343 2.843 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC000093417674 360240879 /nfs/dbraw/zinc/24/08/79/360240879.db2.gz FLHXTPPMEXGPOQ-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC000093417674 360240887 /nfs/dbraw/zinc/24/08/87/360240887.db2.gz FLHXTPPMEXGPOQ-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO c1coc([C@H]2C[N@H+](Cc3ccsc3)CCO2)c1 ZINC000093841834 360283304 /nfs/dbraw/zinc/28/33/04/360283304.db2.gz UYJFARHYMNDZQI-CYBMUJFWSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)c1 ZINC000093841834 360283308 /nfs/dbraw/zinc/28/33/08/360283308.db2.gz UYJFARHYMNDZQI-CYBMUJFWSA-N 1 2 249.335 2.915 20 0 BFADLO C[C@@H]1C[C@H]1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000629121491 360885564 /nfs/dbraw/zinc/88/55/64/360885564.db2.gz ZGIUEHHNMYLGEW-SFYZADRCSA-N 1 2 222.238 2.971 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2cocn2)o1 ZINC000309671143 491153621 /nfs/dbraw/zinc/15/36/21/491153621.db2.gz VZOVUGLFGCPOLK-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO Cc1[nH+]c2cc(OC[C@H]3C[C@@H]3C)ccc2n1C ZINC000629370078 361016815 /nfs/dbraw/zinc/01/68/15/361016815.db2.gz WEAZTLGYEORWAB-GXSJLCMTSA-N 1 2 230.311 2.917 20 0 BFADLO Fc1ccc(C[NH2+]CC(F)F)c2ncccc12 ZINC000459550082 200838457 /nfs/dbraw/zinc/83/84/57/200838457.db2.gz SNZJVNORZGSZFE-UHFFFAOYSA-N 1 2 240.228 2.729 20 0 BFADLO CCCn1cc(CNc2ccc([NH2+]C)cc2)cn1 ZINC000629387850 361040470 /nfs/dbraw/zinc/04/04/70/361040470.db2.gz GOVDEHCBTGMWOF-UHFFFAOYSA-N 1 2 244.342 2.947 20 0 BFADLO C/C=C\C[C@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631210563 361082329 /nfs/dbraw/zinc/08/23/29/361082329.db2.gz IZOHARMBBIUPSU-RYWCDNDXSA-N 1 2 249.358 2.558 20 0 BFADLO CCc1nocc1C[NH2+][C@H](C)c1cscn1 ZINC000575003458 361294540 /nfs/dbraw/zinc/29/45/40/361294540.db2.gz NUXDATDNTLDNQU-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CC[C@](C)([NH2+]Cc1c(C)cccc1C)C(=O)OC ZINC000428298285 201007468 /nfs/dbraw/zinc/00/74/68/201007468.db2.gz BUECNEHQNSETHL-HNNXBMFYSA-N 1 2 249.354 2.735 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cnc(C)cn2)o1 ZINC000428472411 201021965 /nfs/dbraw/zinc/02/19/65/201021965.db2.gz ADPLMVJXVMVXPM-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2cnc(C)cn2)o1 ZINC000428472411 201021967 /nfs/dbraw/zinc/02/19/67/201021967.db2.gz ADPLMVJXVMVXPM-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2cnc(C)cn2)o1 ZINC000428472409 201022402 /nfs/dbraw/zinc/02/24/02/201022402.db2.gz ADPLMVJXVMVXPM-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H](C)c2cnc(C)cn2)o1 ZINC000428472409 201022403 /nfs/dbraw/zinc/02/24/03/201022403.db2.gz ADPLMVJXVMVXPM-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1occc1C[NH2+]Cc1noc2c1CCCC2 ZINC000414437453 370692251 /nfs/dbraw/zinc/69/22/51/370692251.db2.gz BTODFEIJVOBIDL-UHFFFAOYSA-N 1 2 246.310 2.745 20 0 BFADLO CC(C)CN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431407026 192916545 /nfs/dbraw/zinc/91/65/45/192916545.db2.gz NBJFGJFEZPWTIY-UHFFFAOYSA-N 1 2 235.306 2.805 20 0 BFADLO C[C@H](CC(=O)NCC1CCCCC1)n1cc[nH+]c1 ZINC000614216755 363761810 /nfs/dbraw/zinc/76/18/10/363761810.db2.gz WTKFTFZKXGQVNW-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1ccoc1C[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000429360434 201104962 /nfs/dbraw/zinc/10/49/62/201104962.db2.gz HMESAOFYZSIRKM-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccoc1C[N@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000429360434 201104966 /nfs/dbraw/zinc/10/49/66/201104966.db2.gz HMESAOFYZSIRKM-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cnoc1C ZINC000429396468 201107396 /nfs/dbraw/zinc/10/73/96/201107396.db2.gz GCSNNCVFUSKKAD-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cnoc1C ZINC000429396468 201107399 /nfs/dbraw/zinc/10/73/99/201107399.db2.gz GCSNNCVFUSKKAD-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@@H](C[N@@H+]1CCC(=O)CC12CCC2)C(F)(F)F ZINC000579369420 366771142 /nfs/dbraw/zinc/77/11/42/366771142.db2.gz BYURHFAGFPDHBT-VIFPVBQESA-N 1 2 249.276 2.772 20 0 BFADLO C[C@@H](C[N@H+]1CCC(=O)CC12CCC2)C(F)(F)F ZINC000579369420 366771143 /nfs/dbraw/zinc/77/11/43/366771143.db2.gz BYURHFAGFPDHBT-VIFPVBQESA-N 1 2 249.276 2.772 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(-n3ccnn3)cc2)[C@@H]1C ZINC000430230250 201156734 /nfs/dbraw/zinc/15/67/34/201156734.db2.gz VPOVFRCLQNHJHF-JTNHKYCSSA-N 1 2 242.326 2.724 20 0 BFADLO c1cc2c(cc1NCC1=CCCOC1)CCC[NH2+]2 ZINC000629647606 361537768 /nfs/dbraw/zinc/53/77/68/361537768.db2.gz BGGTYOVABAVPRH-UHFFFAOYSA-N 1 2 244.338 2.803 20 0 BFADLO c1cc2c(cc1[NH2+]CC1=CCCOC1)CCCN2 ZINC000629647606 361537773 /nfs/dbraw/zinc/53/77/73/361537773.db2.gz BGGTYOVABAVPRH-UHFFFAOYSA-N 1 2 244.338 2.803 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2cccs2)c[nH+]1 ZINC000629691581 361618261 /nfs/dbraw/zinc/61/82/61/361618261.db2.gz ZOYDREVFZZINHC-LLVKDONJSA-N 1 2 248.351 2.993 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C2CC(C)(C)C2)no1 ZINC000448558366 201267498 /nfs/dbraw/zinc/26/74/98/201267498.db2.gz YSVTVSNEJKFHJY-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C2CC(C)(C)C2)no1 ZINC000448558366 201267500 /nfs/dbraw/zinc/26/75/00/201267500.db2.gz YSVTVSNEJKFHJY-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CCOCCCNc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714361 361650917 /nfs/dbraw/zinc/65/09/17/361650917.db2.gz DTXWWWSWLWQUFG-UHFFFAOYSA-N 1 2 246.310 2.602 20 0 BFADLO FCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000436316329 201321156 /nfs/dbraw/zinc/32/11/56/201321156.db2.gz RWWCPILTHSZYQZ-AWEZNQCLSA-N 1 2 248.276 2.869 20 0 BFADLO CN(C)c1ccc(NC2CCCCC2)c[nH+]1 ZINC000036988964 363852390 /nfs/dbraw/zinc/85/23/90/363852390.db2.gz VSSAQNSFLXUJDF-UHFFFAOYSA-N 1 2 219.332 2.892 20 0 BFADLO CC[C@]([NH2+]CC(C)C)(C(=O)OC)c1ccccc1 ZINC000037965792 363899140 /nfs/dbraw/zinc/89/91/40/363899140.db2.gz LNLUSIATTNESOR-OAHLLOKOSA-N 1 2 249.354 2.711 20 0 BFADLO CC(C)C[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336599 202576051 /nfs/dbraw/zinc/57/60/51/202576051.db2.gz WEKDXYOCEXRIKL-NSHDSACASA-N 1 2 249.358 2.840 20 0 BFADLO CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000614794198 363979368 /nfs/dbraw/zinc/97/93/68/363979368.db2.gz CYOVBABVTROYCA-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1nc(N2Cc3ccc(Cl)cc3C2)cc[nH+]1 ZINC000630343503 364065219 /nfs/dbraw/zinc/06/52/19/364065219.db2.gz PVAWCTYNNNKHBZ-UHFFFAOYSA-N 1 2 245.713 2.959 20 0 BFADLO CCCCc1cc(N[C@@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000631130899 364532483 /nfs/dbraw/zinc/53/24/83/364532483.db2.gz PUQDGQOHIFSXGC-NWDGAFQWSA-N 1 2 249.358 2.656 20 0 BFADLO CC1=CC[C@](C)(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000615158137 364550319 /nfs/dbraw/zinc/55/03/19/364550319.db2.gz JUZBISZCZOIUKZ-RISCZKNCSA-N 1 2 247.342 2.723 20 0 BFADLO Cc1cc(C)c(CNC(=O)OC(C)(C)C)c[nH+]1 ZINC000167377638 364791853 /nfs/dbraw/zinc/79/18/53/364791853.db2.gz GDPKZDNQOFJJKW-UHFFFAOYSA-N 1 2 236.315 2.723 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCc2sccc2C1 ZINC000573887195 364939187 /nfs/dbraw/zinc/93/91/87/364939187.db2.gz YVLVCTXTMIRAPJ-UHFFFAOYSA-N 1 2 245.351 2.718 20 0 BFADLO CC[N@H+](Cc1ccc(C)cc1)Cc1ncccn1 ZINC000574132385 364992745 /nfs/dbraw/zinc/99/27/45/364992745.db2.gz VOUURJOXIAUYGQ-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO CC[N@@H+](Cc1ccc(C)cc1)Cc1ncccn1 ZINC000574132385 364992749 /nfs/dbraw/zinc/99/27/49/364992749.db2.gz VOUURJOXIAUYGQ-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO Cc1[nH]c(CNc2ccccc2C)[nH+]c1C ZINC000574054224 364978520 /nfs/dbraw/zinc/97/85/20/364978520.db2.gz JKRPSFOHPUOKPI-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CC1(C)CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887691 193000278 /nfs/dbraw/zinc/00/02/78/193000278.db2.gz ZWUFNGRDJXDTGW-UHFFFAOYSA-N 1 2 247.264 2.660 20 0 BFADLO CC1(C)CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442887691 193000280 /nfs/dbraw/zinc/00/02/80/193000280.db2.gz ZWUFNGRDJXDTGW-UHFFFAOYSA-N 1 2 247.264 2.660 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2cccc(C)c21 ZINC000171137623 365171133 /nfs/dbraw/zinc/17/11/33/365171133.db2.gz OLBMOSFNUZECLS-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO c1[nH]c2ncccc2c1CCNc1cccc[nH+]1 ZINC000443893157 193031634 /nfs/dbraw/zinc/03/16/34/193031634.db2.gz CNTKJMUBQRIJGV-UHFFFAOYSA-N 1 2 238.294 2.613 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H](C)CC(C)C)[nH+]1 ZINC000443891720 193032001 /nfs/dbraw/zinc/03/20/01/193032001.db2.gz LIVHMTLPPZZOIM-SECBINFHSA-N 1 2 232.331 2.535 20 0 BFADLO c1nc(C[NH2+]Cc2ccc3ncccc3c2)co1 ZINC000171646765 365224050 /nfs/dbraw/zinc/22/40/50/365224050.db2.gz CIWMYOPSWXDHKS-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CN(Cc1ccoc1)c1cc[nH+]c2ccncc21 ZINC000444109825 193034794 /nfs/dbraw/zinc/03/47/94/193034794.db2.gz HQAAGCIXVHIVGL-UHFFFAOYSA-N 1 2 239.278 2.859 20 0 BFADLO Cn1c2c(cccc2F)[nH]c1=[NH+]C1CCCCC1 ZINC000443404445 193019377 /nfs/dbraw/zinc/01/93/77/193019377.db2.gz FYFJQICSUKPFMU-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ncccn1 ZINC000192013485 365240403 /nfs/dbraw/zinc/24/04/03/365240403.db2.gz PRXGNXHTYFEQBB-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ncccn1 ZINC000192013485 365240409 /nfs/dbraw/zinc/24/04/09/365240409.db2.gz PRXGNXHTYFEQBB-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO CC(C)c1nc(N2CCSC[C@@H]2C)cc[nH+]1 ZINC000172374811 365320774 /nfs/dbraw/zinc/32/07/74/365320774.db2.gz KQSLASDPMRQMEU-JTQLQIEISA-N 1 2 237.372 2.542 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000172865579 365384149 /nfs/dbraw/zinc/38/41/49/365384149.db2.gz JOQRNUFUUVPQBI-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000172865579 365384157 /nfs/dbraw/zinc/38/41/57/365384157.db2.gz JOQRNUFUUVPQBI-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cnc(C[N@H+]2Cc3ccccc3C[C@H]2C)o1 ZINC000173801341 365446835 /nfs/dbraw/zinc/44/68/35/365446835.db2.gz IMJAFINOOUCSOL-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1cnc(C[N@@H+]2Cc3ccccc3C[C@H]2C)o1 ZINC000173801341 365446838 /nfs/dbraw/zinc/44/68/38/365446838.db2.gz IMJAFINOOUCSOL-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO CC[C@@](C)([NH2+]CC[C@H]1CCOC1)C(F)(F)F ZINC000576194300 365516256 /nfs/dbraw/zinc/51/62/56/365516256.db2.gz OVNGMXKFFHCEKF-VHSXEESVSA-N 1 2 239.281 2.734 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1cccnc1 ZINC000174696798 365507701 /nfs/dbraw/zinc/50/77/01/365507701.db2.gz NWBPLZIWYTXHGU-LLVKDONJSA-N 1 2 241.294 2.527 20 0 BFADLO CSCC1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000579673097 366957117 /nfs/dbraw/zinc/95/71/17/366957117.db2.gz IXXLUWQSYTZCGM-UHFFFAOYSA-N 1 2 225.361 2.743 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(F)F ZINC000178133223 541503410 /nfs/dbraw/zinc/50/34/10/541503410.db2.gz KHLZDDJJIASSLU-NXEZZACHSA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(F)F ZINC000178133223 541503413 /nfs/dbraw/zinc/50/34/13/541503413.db2.gz KHLZDDJJIASSLU-NXEZZACHSA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(F)F ZINC000178133235 541503596 /nfs/dbraw/zinc/50/35/96/541503596.db2.gz KHLZDDJJIASSLU-VHSXEESVSA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(F)F ZINC000178133235 541503599 /nfs/dbraw/zinc/50/35/99/541503599.db2.gz KHLZDDJJIASSLU-VHSXEESVSA-N 1 2 235.318 2.777 20 0 BFADLO CC(C)=CC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000185179997 367123741 /nfs/dbraw/zinc/12/37/41/367123741.db2.gz UYQPFVYINCWXMA-JTQLQIEISA-N 1 2 237.347 2.984 20 0 BFADLO Cc1cnc([C@@H]([NH2+]Cc2ccon2)C2CC2)s1 ZINC000185304727 367126388 /nfs/dbraw/zinc/12/63/88/367126388.db2.gz DEDUKMJHSTYYMF-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000579968134 367108037 /nfs/dbraw/zinc/10/80/37/367108037.db2.gz JNLFWTHPCNXEPG-GXSJLCMTSA-N 1 2 249.358 2.506 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C(C)(C)C)C1 ZINC000579973243 367110003 /nfs/dbraw/zinc/11/00/03/367110003.db2.gz XAMLIPLLIASTIT-LBPRGKRZSA-N 1 2 233.359 2.966 20 0 BFADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)OCO2 ZINC000580966772 367220915 /nfs/dbraw/zinc/22/09/15/367220915.db2.gz MJOGIKQBSYUSCF-MRVPVSSYSA-N 1 2 243.253 2.721 20 0 BFADLO C[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)c1cscn1 ZINC000580903697 367203899 /nfs/dbraw/zinc/20/38/99/367203899.db2.gz WNVJUNXKNNYXNP-GUBZILKMSA-N 1 2 248.355 2.696 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cncnc2C)c[nH+]1 ZINC000581021811 367240240 /nfs/dbraw/zinc/24/02/40/367240240.db2.gz AHQLWTUNTCPHRN-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO COC(=O)C[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000194545556 367303869 /nfs/dbraw/zinc/30/38/69/367303869.db2.gz LQNNVVSUOVAZAS-GFCCVEGCSA-N 1 2 249.354 2.976 20 0 BFADLO COC(=O)C[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000194545556 367303871 /nfs/dbraw/zinc/30/38/71/367303871.db2.gz LQNNVVSUOVAZAS-GFCCVEGCSA-N 1 2 249.354 2.976 20 0 BFADLO Cc1nc(N[C@H](C)[C@H]2CC3CCC2CC3)cc[nH+]1 ZINC000382136437 367489481 /nfs/dbraw/zinc/48/94/81/367489481.db2.gz NDMTVDLDOMRLIV-WKIYYKSKSA-N 1 2 245.370 2.834 20 0 BFADLO COC1(C)CN(c2[nH+]c3ccccc3cc2C)C1 ZINC000581979976 368039064 /nfs/dbraw/zinc/03/90/64/368039064.db2.gz XXHDIFFGWFNYAQ-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO CCCCCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000029572684 368243639 /nfs/dbraw/zinc/24/36/39/368243639.db2.gz VGXYEYJFZURRJJ-UHFFFAOYSA-N 1 2 245.326 2.531 20 0 BFADLO C[N@H+](Cc1cccs1)Cc1nc(C2CC2)no1 ZINC000044711713 368421823 /nfs/dbraw/zinc/42/18/23/368421823.db2.gz SBQBBAYCMGTEGK-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[N@@H+](Cc1cccs1)Cc1nc(C2CC2)no1 ZINC000044711713 368421829 /nfs/dbraw/zinc/42/18/29/368421829.db2.gz SBQBBAYCMGTEGK-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)cc1 ZINC000045784239 368432381 /nfs/dbraw/zinc/43/23/81/368432381.db2.gz KNYAMFAOFHHTJX-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000045784239 368432385 /nfs/dbraw/zinc/43/23/85/368432385.db2.gz KNYAMFAOFHHTJX-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1csc(C)c1C ZINC000399767706 368563213 /nfs/dbraw/zinc/56/32/13/368563213.db2.gz KBBGJKCDJHOYOU-UHFFFAOYSA-N 1 2 235.356 2.686 20 0 BFADLO CCCCc1nc(C[N@H+](C)CC(C)C)no1 ZINC000065960922 368636586 /nfs/dbraw/zinc/63/65/86/368636586.db2.gz ATGBDJZBGZNXRR-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CC(C)C)no1 ZINC000065960922 368636589 /nfs/dbraw/zinc/63/65/89/368636589.db2.gz ATGBDJZBGZNXRR-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCCC(C)(C)C2)c[nH+]1 ZINC000456877149 202989233 /nfs/dbraw/zinc/98/92/33/202989233.db2.gz BCLRWRYBWGCKSZ-LLVKDONJSA-N 1 2 249.358 2.664 20 0 BFADLO CN(Cc1ccccc1F)c1cccc[nH+]1 ZINC000067949098 368708155 /nfs/dbraw/zinc/70/81/55/368708155.db2.gz NQBQYBRXPMSDAL-UHFFFAOYSA-N 1 2 216.259 2.857 20 0 BFADLO COc1ccccc1SCc1[nH+]ccn1C ZINC000067007143 368673901 /nfs/dbraw/zinc/67/39/01/368673901.db2.gz ORGYFWQTRQFXEX-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO CN(CCOc1ccccc1F)c1cccc[nH+]1 ZINC000070793122 368765352 /nfs/dbraw/zinc/76/53/52/368765352.db2.gz RJAQYWBEIXSYGU-UHFFFAOYSA-N 1 2 246.285 2.736 20 0 BFADLO Cc1scc(C[NH2+]Cc2cocn2)c1C ZINC000399897345 368910116 /nfs/dbraw/zinc/91/01/16/368910116.db2.gz QXNOLXWLJYUZCG-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)C1CCOCC1 ZINC000309883694 326173436 /nfs/dbraw/zinc/17/34/36/326173436.db2.gz WXTOFHVVLRYPME-SCZZXKLOSA-N 1 2 239.281 2.732 20 0 BFADLO CCC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCCC1 ZINC000458345334 203164407 /nfs/dbraw/zinc/16/44/07/203164407.db2.gz RBIZITFWTSTKKP-LBPRGKRZSA-N 1 2 249.358 2.807 20 0 BFADLO CCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619010312 369256979 /nfs/dbraw/zinc/25/69/79/369256979.db2.gz BESKFBWGPGXSCY-UHFFFAOYSA-N 1 2 231.299 2.771 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc(COC)c1 ZINC000623679930 369381914 /nfs/dbraw/zinc/38/19/14/369381914.db2.gz QAMQJRCRCXCUDU-UHFFFAOYSA-N 1 2 243.297 2.968 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccccc1F ZINC000623680783 369391686 /nfs/dbraw/zinc/39/16/86/369391686.db2.gz ZQGDHTQJYWQSRJ-UHFFFAOYSA-N 1 2 217.234 2.961 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cc2cccnc2o1 ZINC000623679168 369379100 /nfs/dbraw/zinc/37/91/00/369379100.db2.gz KVQXCYPGAJIIJB-UHFFFAOYSA-N 1 2 240.253 2.963 20 0 BFADLO CCSc1cccc(C[NH+]2CC(OC)C2)c1 ZINC000459575041 203305463 /nfs/dbraw/zinc/30/54/63/203305463.db2.gz FCJHJJTUTBCOEN-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO CCCC[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000459611775 203316106 /nfs/dbraw/zinc/31/61/06/203316106.db2.gz QNBCRDUFVXEWFH-AWEZNQCLSA-N 1 2 249.354 2.907 20 0 BFADLO CCOC1(C)C[NH+](C/C=C/c2ccccc2)C1 ZINC000459614602 203316418 /nfs/dbraw/zinc/31/64/18/203316418.db2.gz DTZJFDIOIUYOST-JXMROGBWSA-N 1 2 231.339 2.811 20 0 BFADLO Cc1cccc(C)c1C[NH+]1CC(OC(F)F)C1 ZINC000459627547 203322495 /nfs/dbraw/zinc/32/24/95/203322495.db2.gz LDNNRJBZDBEMMB-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccn(C)n1 ZINC000459737322 203346671 /nfs/dbraw/zinc/34/66/71/203346671.db2.gz CAWMSNKZVPYWGN-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO CC[N@H+](Cc1ccoc1)[C@H](C)c1nnc(C)o1 ZINC000069607559 370958430 /nfs/dbraw/zinc/95/84/30/370958430.db2.gz BVDRUZFASOEPEI-SECBINFHSA-N 1 2 235.287 2.554 20 0 BFADLO CC[N@@H+](Cc1ccoc1)[C@H](C)c1nnc(C)o1 ZINC000069607559 370958436 /nfs/dbraw/zinc/95/84/36/370958436.db2.gz BVDRUZFASOEPEI-SECBINFHSA-N 1 2 235.287 2.554 20 0 BFADLO C[C@@H]1CN(c2cc3ccccc3c[nH+]2)C[C@H](C)O1 ZINC000631030716 370963426 /nfs/dbraw/zinc/96/34/26/370963426.db2.gz XYYLEBDONQJJKA-TXEJJXNPSA-N 1 2 242.322 2.848 20 0 BFADLO CCC(O)(CC)CNc1cc[nH+]c(C(C)C)n1 ZINC000110380122 369763944 /nfs/dbraw/zinc/76/39/44/369763944.db2.gz VLKYJQYXUYWBFL-UHFFFAOYSA-N 1 2 237.347 2.563 20 0 BFADLO Cc1ncsc1CNc1cc[nH+]c(C(C)C)n1 ZINC000110541304 369858308 /nfs/dbraw/zinc/85/83/08/369858308.db2.gz MAPHYWPVXXEINF-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648900 369972626 /nfs/dbraw/zinc/97/26/26/369972626.db2.gz OETHUBTTYVFPDK-SECBINFHSA-N 1 2 231.299 2.627 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651868 369973711 /nfs/dbraw/zinc/97/37/11/369973711.db2.gz SDRRRKXUWICCPM-ZYHUDNBSSA-N 1 2 243.310 2.627 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H]1C1CC1 ZINC000309844536 370268367 /nfs/dbraw/zinc/26/83/67/370268367.db2.gz FYANTUSKSDGOLY-GHMZBOCLSA-N 1 2 218.300 2.691 20 0 BFADLO COc1cccc(Cl)c1CNc1c[nH]c[nH+]1 ZINC000309877536 370271339 /nfs/dbraw/zinc/27/13/39/370271339.db2.gz TZPXILYTIUZVIU-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO COc1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)ccn1 ZINC000568239716 326332966 /nfs/dbraw/zinc/33/29/66/326332966.db2.gz RJTFAKJMJPQJJJ-IUCAKERBSA-N 1 2 244.285 2.785 20 0 BFADLO CCC(CC)Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000077214760 370401298 /nfs/dbraw/zinc/40/12/98/370401298.db2.gz BFHCZGAJFCGGDD-UHFFFAOYSA-N 1 2 248.355 2.943 20 0 BFADLO COc1cc[nH+]cc1-c1ccc(N)cc1C ZINC000114028330 370540402 /nfs/dbraw/zinc/54/04/02/370540402.db2.gz NJDKVLPWXPPKFQ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CCc1cc(NCC(CC)CC)nc[nH+]1 ZINC000123471582 371072366 /nfs/dbraw/zinc/07/23/66/371072366.db2.gz FZCNPWBQRHSNQF-UHFFFAOYSA-N 1 2 207.321 2.887 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](c2ccco2)C1 ZINC000623960744 371198850 /nfs/dbraw/zinc/19/88/50/371198850.db2.gz GDQJDVJCLFPXMY-NSHDSACASA-N 1 2 244.294 2.677 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2cnc(C)o2)n1 ZINC000623998809 371226919 /nfs/dbraw/zinc/22/69/19/371226919.db2.gz AZWYYEKNIUWPOF-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(C)c(CNc2c[nH]c[nH+]2)cc1C ZINC000390483602 371206188 /nfs/dbraw/zinc/20/61/88/371206188.db2.gz NSTYUVMXXFDUBJ-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CCc1cc(NCCCC2CC2)nc[nH+]1 ZINC000124711376 371224505 /nfs/dbraw/zinc/22/45/05/371224505.db2.gz INLXRBCIZIZDJW-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NCC(F)(F)CC ZINC000624148741 371345399 /nfs/dbraw/zinc/34/53/99/371345399.db2.gz MRIMSTYFWLPNCT-SECBINFHSA-N 1 2 231.290 2.599 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@H](CCF)C1 ZINC000624399757 371500917 /nfs/dbraw/zinc/50/09/17/371500917.db2.gz VLKJYPUYXXARNE-LLVKDONJSA-N 1 2 238.306 2.666 20 0 BFADLO COc1ccc[nH+]c1NCC[C@H]1CC1(F)F ZINC000624413341 371503351 /nfs/dbraw/zinc/50/33/51/371503351.db2.gz CNZGVXOENKNHMD-QMMMGPOBSA-N 1 2 228.242 2.547 20 0 BFADLO COc1ccc(N[C@H](C)c2ccccn2)[nH+]c1 ZINC000226949557 371759636 /nfs/dbraw/zinc/75/96/36/371759636.db2.gz XOMFZCWFHFCLSJ-SNVBAGLBSA-N 1 2 229.283 2.658 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)on1 ZINC000631163973 372214185 /nfs/dbraw/zinc/21/41/85/372214185.db2.gz WFTJVFBVDBMKNS-KBPBESRZSA-N 1 2 246.285 2.710 20 0 BFADLO CCCCc1cc(N[C@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000631184004 372221520 /nfs/dbraw/zinc/22/15/20/372221520.db2.gz XMLNCXXUMFOZQC-SNVBAGLBSA-N 1 2 245.330 2.715 20 0 BFADLO CCCCc1cc(N[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000631188435 372223103 /nfs/dbraw/zinc/22/31/03/372223103.db2.gz ASUBIRDFLDMQEN-AAEUAGOBSA-N 1 2 249.358 2.799 20 0 BFADLO CN(C)c1c[nH+]cc(NC2CCCC2)c1 ZINC000631203648 372233151 /nfs/dbraw/zinc/23/31/51/372233151.db2.gz RJJHDKBGFNXFNE-UHFFFAOYSA-N 1 2 205.305 2.502 20 0 BFADLO CCCCc1cc(N[C@@H](C)COCC)nc[nH+]1 ZINC000631220102 372243289 /nfs/dbraw/zinc/24/32/89/372243289.db2.gz UGKNHZSTYCNBGO-NSHDSACASA-N 1 2 237.347 2.656 20 0 BFADLO C[C@@H](O)[C@H]1CCCN1c1cc2ccccc2c[nH+]1 ZINC000631362070 372314480 /nfs/dbraw/zinc/31/44/80/372314480.db2.gz UABUKKNKHSRONL-BXUZGUMPSA-N 1 2 242.322 2.584 20 0 BFADLO C[C@H](Nc1cc2ccccc2c[nH+]1)C1(CO)CC1 ZINC000631367188 372317736 /nfs/dbraw/zinc/31/77/36/372317736.db2.gz SXSSOZSMTJXXOX-NSHDSACASA-N 1 2 242.322 2.808 20 0 BFADLO c1cc(N[C@@H]2CCCC23CC3)nc(C2CC2)[nH+]1 ZINC000631418119 372351278 /nfs/dbraw/zinc/35/12/78/372351278.db2.gz JTRSZRIBQFQDQK-LLVKDONJSA-N 1 2 229.327 2.521 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@H]1CCCC12CC2 ZINC000631421121 372352058 /nfs/dbraw/zinc/35/20/58/372352058.db2.gz ZBKYZYJXRHHWBU-JTQLQIEISA-N 1 2 233.315 2.538 20 0 BFADLO CCc1cc(N[C@H](C)c2ncccc2F)nc[nH+]1 ZINC000631540402 372415935 /nfs/dbraw/zinc/41/59/35/372415935.db2.gz PBRXCNCUFIJQIC-SECBINFHSA-N 1 2 246.289 2.746 20 0 BFADLO COC(=O)C1([NH2+][C@H]2C=CCCC2)CCCCC1 ZINC000171934655 372832598 /nfs/dbraw/zinc/83/25/98/372832598.db2.gz KBHIDBXNMYMZQA-LBPRGKRZSA-N 1 2 237.343 2.561 20 0 BFADLO C[N@H+](CCc1ccc(F)cc1)CC(F)F ZINC000171990976 372847722 /nfs/dbraw/zinc/84/77/22/372847722.db2.gz ATVRGDQHTHWUMZ-UHFFFAOYSA-N 1 2 217.234 2.565 20 0 BFADLO C[N@@H+](CCc1ccc(F)cc1)CC(F)F ZINC000171990976 372847733 /nfs/dbraw/zinc/84/77/33/372847733.db2.gz ATVRGDQHTHWUMZ-UHFFFAOYSA-N 1 2 217.234 2.565 20 0 BFADLO FC(F)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000171991249 372848915 /nfs/dbraw/zinc/84/89/15/372848915.db2.gz VQACHNLWXFYBTQ-LLVKDONJSA-N 1 2 211.255 2.741 20 0 BFADLO FC(F)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000171991249 372848921 /nfs/dbraw/zinc/84/89/21/372848921.db2.gz VQACHNLWXFYBTQ-LLVKDONJSA-N 1 2 211.255 2.741 20 0 BFADLO Cn1ccc2cccc(NCc3c[nH+]cn3C)c21 ZINC000190806212 259568278 /nfs/dbraw/zinc/56/82/78/259568278.db2.gz AGOVYOVHJGJABZ-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO CCS[C@H]1CC[C@H]([N@H+](C)CC(F)F)C1 ZINC000174349741 374183552 /nfs/dbraw/zinc/18/35/52/374183552.db2.gz RPXLKCXYHDMJGJ-IUCAKERBSA-N 1 2 223.332 2.858 20 0 BFADLO CCS[C@H]1CC[C@H]([N@@H+](C)CC(F)F)C1 ZINC000174349741 374183562 /nfs/dbraw/zinc/18/35/62/374183562.db2.gz RPXLKCXYHDMJGJ-IUCAKERBSA-N 1 2 223.332 2.858 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCO[C@H]1C ZINC000634547777 374303214 /nfs/dbraw/zinc/30/32/14/374303214.db2.gz DFTGHHIUXNTZGR-NWDGAFQWSA-N 1 2 235.327 2.756 20 0 BFADLO Fc1ccc(/C=C\C[NH2+]CC(F)F)c(F)c1 ZINC000459541537 206133709 /nfs/dbraw/zinc/13/37/09/206133709.db2.gz GIRUWKICBFDABR-UPHRSURJSA-N 1 2 233.208 2.833 20 0 BFADLO Fc1cccc2[nH]c(C[NH2+]CC(F)F)cc21 ZINC000459542436 206134345 /nfs/dbraw/zinc/13/43/45/206134345.db2.gz HZWFNFGAJBONOW-UHFFFAOYSA-N 1 2 228.217 2.662 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)c1ccsc1 ZINC000357431577 182374709 /nfs/dbraw/zinc/37/47/09/182374709.db2.gz AMCWTVBXADKBQM-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)c1cccs1 ZINC000357452096 182374970 /nfs/dbraw/zinc/37/49/70/182374970.db2.gz KXFFVYDWDNBFHI-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO OCCCCCNc1ccc2ccccc2[nH+]1 ZINC000145630037 183047377 /nfs/dbraw/zinc/04/73/77/183047377.db2.gz XADDGRIVYDCTKQ-UHFFFAOYSA-N 1 2 230.311 2.809 20 0 BFADLO CCCCc1nc(C[N@H+](CC)CCC)no1 ZINC000336684038 169025804 /nfs/dbraw/zinc/02/58/04/169025804.db2.gz UJBIWRMJRMOCHX-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+](CC)CCC)no1 ZINC000336684038 169025805 /nfs/dbraw/zinc/02/58/05/169025805.db2.gz UJBIWRMJRMOCHX-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCCCc1nc(C[N@H+](CC)C2CCC2)no1 ZINC000336714607 169026167 /nfs/dbraw/zinc/02/61/67/169026167.db2.gz UGACUNLNAMHOBT-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@@H+](CC)C2CCC2)no1 ZINC000336714607 169026169 /nfs/dbraw/zinc/02/61/69/169026169.db2.gz UGACUNLNAMHOBT-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)no1 ZINC000123345781 169026273 /nfs/dbraw/zinc/02/62/73/169026273.db2.gz NABMFQBQQDNSAD-QWRGUYRKSA-N 1 2 237.347 2.785 20 0 BFADLO O[C@@H]1CC[C@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000236553797 183203983 /nfs/dbraw/zinc/20/39/83/183203983.db2.gz VHKJRRKKUJXYKS-WCQYABFASA-N 1 2 242.322 2.808 20 0 BFADLO CCCN(CC(F)F)c1cc(C)[nH+]c(CC)n1 ZINC000341850391 169108207 /nfs/dbraw/zinc/10/82/07/169108207.db2.gz GDPDKFYJXVDPEW-UHFFFAOYSA-N 1 2 243.301 2.829 20 0 BFADLO Oc1ccc(Nc2cccc[nH+]2)cc1F ZINC000148359232 183276036 /nfs/dbraw/zinc/27/60/36/183276036.db2.gz ULGYLXPEERZFMG-UHFFFAOYSA-N 1 2 204.204 2.670 20 0 BFADLO Oc1cccc(C[NH2+]Cc2ccoc2)c1Cl ZINC000328477727 183291214 /nfs/dbraw/zinc/29/12/14/183291214.db2.gz OZGBXMXUTIDHPD-UHFFFAOYSA-N 1 2 237.686 2.928 20 0 BFADLO c1c[nH+]c(CNc2ccc([C@H]3CCOC3)cc2)[nH]1 ZINC000293185504 183324482 /nfs/dbraw/zinc/32/44/82/183324482.db2.gz WVLCLLWBYUXNSQ-LBPRGKRZSA-N 1 2 243.310 2.526 20 0 BFADLO c1c[nH+]c(COCCCc2ccsc2)[nH]1 ZINC000360952586 183326589 /nfs/dbraw/zinc/32/65/89/183326589.db2.gz CVRDKPJNFFBHGY-UHFFFAOYSA-N 1 2 222.313 2.621 20 0 BFADLO c1c[nH+]c(CNc2ccc3ncsc3c2)[nH]1 ZINC000120685052 183327809 /nfs/dbraw/zinc/32/78/09/183327809.db2.gz QQNQJHFSZOAOPJ-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO CCC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846006 169205541 /nfs/dbraw/zinc/20/55/41/169205541.db2.gz XJAYHIJRYVPNOB-CYBMUJFWSA-N 1 2 223.291 2.609 20 0 BFADLO CCC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846006 169205543 /nfs/dbraw/zinc/20/55/43/169205543.db2.gz XJAYHIJRYVPNOB-CYBMUJFWSA-N 1 2 223.291 2.609 20 0 BFADLO c1cn(CCc2cccc3ncccc23)c[nH+]1 ZINC000013808193 183338715 /nfs/dbraw/zinc/33/87/15/183338715.db2.gz AVFNKJKCERQPJI-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 in-vivo BFADLO CCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361558597 169209794 /nfs/dbraw/zinc/20/97/94/169209794.db2.gz IVFNIWMDQQRDTL-UHFFFAOYSA-N 1 2 214.312 2.867 20 0 BFADLO CCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361558597 169209796 /nfs/dbraw/zinc/20/97/96/169209796.db2.gz IVFNIWMDQQRDTL-UHFFFAOYSA-N 1 2 214.312 2.867 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3sccc3c2)[nH]n1 ZINC000352473703 183351808 /nfs/dbraw/zinc/35/18/08/183351808.db2.gz XMFUMPQXAAJSIS-UHFFFAOYSA-N 1 2 243.335 2.914 20 0 BFADLO c1cc(NCC2CCC2)nc(C2CC2)[nH+]1 ZINC000264626632 183356972 /nfs/dbraw/zinc/35/69/72/183356972.db2.gz IPNRDLQZEHYZDU-UHFFFAOYSA-N 1 2 203.289 2.566 20 0 BFADLO c1cc(NC[C@@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000279555475 183357833 /nfs/dbraw/zinc/35/78/33/183357833.db2.gz SYMBMLYWFZNNAT-VIFPVBQESA-N 1 2 235.356 2.519 20 0 BFADLO c1cc(N[C@@H]2CC23CCCCC3)nc(C2CC2)[nH+]1 ZINC000356798583 183334818 /nfs/dbraw/zinc/33/48/18/183334818.db2.gz WAQHQRUWKRBCFB-GFCCVEGCSA-N 1 2 243.354 2.911 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CCCSC3)c2cn1 ZINC000267937124 183377464 /nfs/dbraw/zinc/37/74/64/183377464.db2.gz GSKKWLFMBDWJKV-SNVBAGLBSA-N 1 2 245.351 2.937 20 0 BFADLO c1cn(Cc2ncc(-c3ccccc3)o2)c[nH+]1 ZINC000041391499 183380796 /nfs/dbraw/zinc/38/07/96/183380796.db2.gz CYBGRPFNOSEGIF-UHFFFAOYSA-N 1 2 225.251 2.586 20 0 BFADLO CCC[NH2+][C@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000043394830 169285490 /nfs/dbraw/zinc/28/54/90/169285490.db2.gz BFQLWTAIWJDVFZ-ZDUSSCGKSA-N 1 2 235.327 2.517 20 0 BFADLO c1csc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000368993801 183399586 /nfs/dbraw/zinc/39/95/86/183399586.db2.gz VQRBEDCGRZDJRL-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000368993801 183399589 /nfs/dbraw/zinc/39/95/89/183399589.db2.gz VQRBEDCGRZDJRL-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO CCCNc1ccc(N2CCCC2)[nH+]c1 ZINC000036982269 169294608 /nfs/dbraw/zinc/29/46/08/169294608.db2.gz KXEYGAFFWHPKHH-UHFFFAOYSA-N 1 2 205.305 2.504 20 0 BFADLO c1cc(C[NH2+][C@@H]2CCCc3ccccc32)[nH]n1 ZINC000036900179 183443228 /nfs/dbraw/zinc/44/32/28/183443228.db2.gz SVSGKNSXROAVOD-CQSZACIVSA-N 1 2 227.311 2.577 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000112887115 169348278 /nfs/dbraw/zinc/34/82/78/169348278.db2.gz UVLQXXVDCXZKIC-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO CCC[C@@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294981242 169385871 /nfs/dbraw/zinc/38/58/71/169385871.db2.gz PKBWEISVUUWWHK-NSHDSACASA-N 1 2 235.331 2.581 20 0 BFADLO Cc1ccc(NC[C@@H]2CCSC2)c[nH+]1 ZINC000224450709 134347794 /nfs/dbraw/zinc/34/77/94/134347794.db2.gz FFWYDBHCZVBZMY-JTQLQIEISA-N 1 2 208.330 2.555 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl ZINC000115576409 171105416 /nfs/dbraw/zinc/10/54/16/171105416.db2.gz OKGUDSZABFUGSW-GFCCVEGCSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccccc1Cl ZINC000115576409 171105417 /nfs/dbraw/zinc/10/54/17/171105417.db2.gz OKGUDSZABFUGSW-GFCCVEGCSA-N 1 2 239.746 2.951 20 0 BFADLO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nnsc1Cl ZINC000556314847 383873577 /nfs/dbraw/zinc/87/35/77/383873577.db2.gz XZVYNUQZEALSDJ-ZETCQYMHSA-N 1 2 245.779 2.954 20 0 BFADLO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnsc1Cl ZINC000556314847 383873581 /nfs/dbraw/zinc/87/35/81/383873581.db2.gz XZVYNUQZEALSDJ-ZETCQYMHSA-N 1 2 245.779 2.954 20 0 BFADLO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nnsc1Cl ZINC000556314837 383874944 /nfs/dbraw/zinc/87/49/44/383874944.db2.gz XZVYNUQZEALSDJ-SSDOTTSWSA-N 1 2 245.779 2.954 20 0 BFADLO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnsc1Cl ZINC000556314837 383874953 /nfs/dbraw/zinc/87/49/53/383874953.db2.gz XZVYNUQZEALSDJ-SSDOTTSWSA-N 1 2 245.779 2.954 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2scnc2C)o1 ZINC000220935736 383834360 /nfs/dbraw/zinc/83/43/60/383834360.db2.gz RTYIZOYQUXNRJR-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1F ZINC000036952884 383920425 /nfs/dbraw/zinc/92/04/25/383920425.db2.gz KXNODDIZJIINCS-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000112515323 383927576 /nfs/dbraw/zinc/92/75/76/383927576.db2.gz NUVBBOOHFSFNPG-UWVGGRQHSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000308652734 383883390 /nfs/dbraw/zinc/88/33/90/383883390.db2.gz LWYBLJSHYHOSPA-BIIVOSGPSA-N 1 2 209.255 2.961 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1cccc(O)c1 ZINC000088370147 383894325 /nfs/dbraw/zinc/89/43/25/383894325.db2.gz JNEBUHVNGSXMQU-SECBINFHSA-N 1 2 234.324 2.700 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2csnn2)cc1 ZINC000037770684 384012827 /nfs/dbraw/zinc/01/28/27/384012827.db2.gz WONOBLMETSJPRI-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nnsc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000566302133 384028214 /nfs/dbraw/zinc/02/82/14/384028214.db2.gz SHRNQZAAOAVRTJ-SNVBAGLBSA-N 1 2 245.351 2.923 20 0 BFADLO Cc1nnsc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000566302133 384028221 /nfs/dbraw/zinc/02/82/21/384028221.db2.gz SHRNQZAAOAVRTJ-SNVBAGLBSA-N 1 2 245.351 2.923 20 0 BFADLO CC[C@@H](CC1CCCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114336089 384032763 /nfs/dbraw/zinc/03/27/63/384032763.db2.gz VEVGVRLIKAAYHX-LBPRGKRZSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)cc2C)n1 ZINC000038034493 384060729 /nfs/dbraw/zinc/06/07/29/384060729.db2.gz DRWCPVZDVSMUQA-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(NC(=O)c2ccc(Cl)o2)cc[nH+]1 ZINC000078399384 384063806 /nfs/dbraw/zinc/06/38/06/384063806.db2.gz UTNKUFLAEOCEBG-UHFFFAOYSA-N 1 2 236.658 2.889 20 0 BFADLO COC[C@@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803311 384075070 /nfs/dbraw/zinc/07/50/70/384075070.db2.gz UIGQMSZTLRHUFO-QMMMGPOBSA-N 1 2 248.248 2.795 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NC2CCOCC2)c1 ZINC000090802942 384075159 /nfs/dbraw/zinc/07/51/59/384075159.db2.gz WDVLJQVJRGVIOV-UHFFFAOYSA-N 1 2 246.232 2.691 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCC1CC1 ZINC000115374821 384082472 /nfs/dbraw/zinc/08/24/72/384082472.db2.gz GNQZOTMGZYOPNR-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000070261770 384096452 /nfs/dbraw/zinc/09/64/52/384096452.db2.gz LZVJICWVENJRID-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CC[C@H](NC(=O)C1C(C)(C)C1(C)C)c1[nH]cc[nH+]1 ZINC000140520344 384148548 /nfs/dbraw/zinc/14/85/48/384148548.db2.gz ZOWLZPDYSZHJGP-VIFPVBQESA-N 1 2 249.358 2.659 20 0 BFADLO c1nc(C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000070921292 384141360 /nfs/dbraw/zinc/14/13/60/384141360.db2.gz YTYOQKGSVUBXQG-UHFFFAOYSA-N 1 2 230.336 2.701 20 0 BFADLO c1nc(C[N@H+]2CCc3ccccc3C2)cs1 ZINC000070921292 384141361 /nfs/dbraw/zinc/14/13/61/384141361.db2.gz YTYOQKGSVUBXQG-UHFFFAOYSA-N 1 2 230.336 2.701 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2occc2C)no1 ZINC000092254725 384171037 /nfs/dbraw/zinc/17/10/37/384171037.db2.gz RULYGZGZLMKAJI-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2occc2C)no1 ZINC000092254725 384171044 /nfs/dbraw/zinc/17/10/44/384171044.db2.gz RULYGZGZLMKAJI-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccco1 ZINC000090721777 384181412 /nfs/dbraw/zinc/18/14/12/384181412.db2.gz YVCSTTROUOTCJU-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3sccc3[C@@H]2C)n1 ZINC000628123215 384197142 /nfs/dbraw/zinc/19/71/42/384197142.db2.gz GUFCUNPCXHUUBN-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3sccc3[C@@H]2C)n1 ZINC000628123215 384197145 /nfs/dbraw/zinc/19/71/45/384197145.db2.gz GUFCUNPCXHUUBN-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]c(CN2CCc3sccc3[C@@H]2C)[nH+]1 ZINC000628123215 384197148 /nfs/dbraw/zinc/19/71/48/384197148.db2.gz GUFCUNPCXHUUBN-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO C[C@@H]1SCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000118385708 384198818 /nfs/dbraw/zinc/19/88/18/384198818.db2.gz IBWFWROVLIDZJQ-UWVGGRQHSA-N 1 2 249.383 2.684 20 0 BFADLO CCSCc1cc[nH+]c(N[C@H](C)COC)c1 ZINC000132455633 384230015 /nfs/dbraw/zinc/23/00/15/384230015.db2.gz HPLAWCTVALXFNA-SNVBAGLBSA-N 1 2 240.372 2.782 20 0 BFADLO CSCC[N@H+](C)Cc1c(F)cccc1F ZINC000093509659 384244282 /nfs/dbraw/zinc/24/42/82/384244282.db2.gz HGCSBNRJHFGVSZ-UHFFFAOYSA-N 1 2 231.311 2.760 20 0 BFADLO CSCC[N@@H+](C)Cc1c(F)cccc1F ZINC000093509659 384244286 /nfs/dbraw/zinc/24/42/86/384244286.db2.gz HGCSBNRJHFGVSZ-UHFFFAOYSA-N 1 2 231.311 2.760 20 0 BFADLO Cc1ccc(NC(=O)CC(C)C)c(C)[nH+]1 ZINC000119215533 384247686 /nfs/dbraw/zinc/24/76/86/384247686.db2.gz XGGKMKBBFAGSBC-UHFFFAOYSA-N 1 2 206.289 2.683 20 0 BFADLO Cc1cc(C[NH+](Cc2cc(C)no2)C(C)C)on1 ZINC000073787007 384265782 /nfs/dbraw/zinc/26/57/82/384265782.db2.gz XIVVWRGTZKOSJZ-UHFFFAOYSA-N 1 2 249.314 2.690 20 0 BFADLO COC(=O)[C@H]([NH2+]C(C)C)c1cc(C)cc(C)c1 ZINC000043394819 384274254 /nfs/dbraw/zinc/27/42/54/384274254.db2.gz CCHXZDFRMMTBAZ-CYBMUJFWSA-N 1 2 235.327 2.516 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SCC1=CCCC1 ZINC000647116111 384310811 /nfs/dbraw/zinc/31/08/11/384310811.db2.gz RHWYCNDOLQRMPW-UHFFFAOYSA-N 1 2 246.339 2.566 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000147318741 384288746 /nfs/dbraw/zinc/28/87/46/384288746.db2.gz ICCHKASXAOEGAH-UHFFFAOYSA-N 1 2 211.255 2.919 20 0 BFADLO Cc1cc(C)cc([N@H+](C)CC[C@@H]2CCOC2=O)c1 ZINC000120214692 384338456 /nfs/dbraw/zinc/33/84/56/384338456.db2.gz FFHGEYVOZKBKJP-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)CC[C@@H]2CCOC2=O)c1 ZINC000120214692 384338463 /nfs/dbraw/zinc/33/84/63/384338463.db2.gz FFHGEYVOZKBKJP-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000358965946 384345126 /nfs/dbraw/zinc/34/51/26/384345126.db2.gz LPZVHXYZIJJMLC-GFCCVEGCSA-N 1 2 246.354 2.831 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2cccnc21 ZINC000159425469 384332137 /nfs/dbraw/zinc/33/21/37/384332137.db2.gz SLRLITYPUJHMRA-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO CC[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)OC ZINC000134975540 384404509 /nfs/dbraw/zinc/40/45/09/384404509.db2.gz OPURDAUGKCRONF-OCCSQVGLSA-N 1 2 249.354 2.721 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000134965151 384405275 /nfs/dbraw/zinc/40/52/75/384405275.db2.gz HGWCUBPGHDFSGI-YPMHNXCESA-N 1 2 235.327 2.597 20 0 BFADLO CC(C)[N@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000077358645 384405941 /nfs/dbraw/zinc/40/59/41/384405941.db2.gz NVNWCTBREKOPRL-UHFFFAOYSA-N 1 2 235.331 2.710 20 0 BFADLO CC(C)[N@@H+](Cc1noc(C2CC2)n1)C1CCC1 ZINC000077358645 384405950 /nfs/dbraw/zinc/40/59/50/384405950.db2.gz NVNWCTBREKOPRL-UHFFFAOYSA-N 1 2 235.331 2.710 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1nnc(C)s1 ZINC000134999920 384407185 /nfs/dbraw/zinc/40/71/85/384407185.db2.gz SWOZNBPIFQZKMC-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cccn2c(C[N@@H+]3CCC[C@@H](F)C3)cnc12 ZINC000517750138 384409083 /nfs/dbraw/zinc/40/90/83/384409083.db2.gz VNRUFYOSEYVVIR-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(C[N@H+]3CCC[C@@H](F)C3)cnc12 ZINC000517750138 384409088 /nfs/dbraw/zinc/40/90/88/384409088.db2.gz VNRUFYOSEYVVIR-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(CN3CCC[C@@H](F)C3)c[nH+]c12 ZINC000517750138 384409093 /nfs/dbraw/zinc/40/90/93/384409093.db2.gz VNRUFYOSEYVVIR-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO CCS[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000224438499 384410051 /nfs/dbraw/zinc/41/00/51/384410051.db2.gz BIYQFYOXRTWGOR-WDEREUQCSA-N 1 2 237.372 2.871 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@H]1C ZINC000121424285 384416642 /nfs/dbraw/zinc/41/66/42/384416642.db2.gz ZXZMEUOOJMVCTN-KOLCDFICSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cnccn2)s1 ZINC000135164009 384418918 /nfs/dbraw/zinc/41/89/18/384418918.db2.gz JDOFYNAGDYWYAW-UWVGGRQHSA-N 1 2 248.355 2.653 20 0 BFADLO Clc1cnc(C[NH+]2CC(C3CC3)C2)s1 ZINC000643345432 384381055 /nfs/dbraw/zinc/38/10/55/384381055.db2.gz XQQVIBWCNLEYOH-UHFFFAOYSA-N 1 2 228.748 2.638 20 0 BFADLO Cc1nc(C[NH2+][C@@H](c2ccccc2)C(C)C)no1 ZINC000120894473 384387283 /nfs/dbraw/zinc/38/72/83/384387283.db2.gz CWKSDBLQEVKTIZ-CQSZACIVSA-N 1 2 245.326 2.865 20 0 BFADLO CCS[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000175057279 384387806 /nfs/dbraw/zinc/38/78/06/384387806.db2.gz ISUYMPWAIKZOLP-WDEREUQCSA-N 1 2 237.372 2.871 20 0 BFADLO CS[C@@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000078478131 384447640 /nfs/dbraw/zinc/44/76/40/384447640.db2.gz UWQTXAPNOOVQMP-NXEZZACHSA-N 1 2 208.330 2.778 20 0 BFADLO CS[C@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000078267231 384436782 /nfs/dbraw/zinc/43/67/82/384436782.db2.gz LCTJLCUGHWLDOO-MNOVXSKESA-N 1 2 237.372 2.871 20 0 BFADLO c1[nH+]c(SC[C@@H]2CCCO2)n2ccccc12 ZINC000047822593 384469108 /nfs/dbraw/zinc/46/91/08/384469108.db2.gz WPADDCAEEUWFKP-NSHDSACASA-N 1 2 234.324 2.605 20 0 BFADLO CC[C@@H](COC)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000079709389 384510867 /nfs/dbraw/zinc/51/08/67/384510867.db2.gz ZSQGSKZDYORPLU-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO c1[nH+]c(SC[C@H]2CCCCO2)n2ccccc12 ZINC000122512224 384489395 /nfs/dbraw/zinc/48/93/95/384489395.db2.gz JSOBVIZHDRLKIF-GFCCVEGCSA-N 1 2 248.351 2.996 20 0 BFADLO c1ccc(NCC(C2CC2)C2CC2)[nH+]c1 ZINC000083911259 384543646 /nfs/dbraw/zinc/54/36/46/384543646.db2.gz BPCRVJNBHGSEDY-UHFFFAOYSA-N 1 2 202.301 2.930 20 0 BFADLO FCCCSCc1cn2ccccc2[nH+]1 ZINC000161924917 384545053 /nfs/dbraw/zinc/54/50/53/384545053.db2.gz HMXAQTNTXWWHPC-UHFFFAOYSA-N 1 2 224.304 2.927 20 0 BFADLO CCC(CC)[N@H+](Cc1noc(C)n1)C1CC1 ZINC000517901331 384562988 /nfs/dbraw/zinc/56/29/88/384562988.db2.gz XBQSWSDYJCLCMM-UHFFFAOYSA-N 1 2 223.320 2.531 20 0 BFADLO CCC(CC)[N@@H+](Cc1noc(C)n1)C1CC1 ZINC000517901331 384562997 /nfs/dbraw/zinc/56/29/97/384562997.db2.gz XBQSWSDYJCLCMM-UHFFFAOYSA-N 1 2 223.320 2.531 20 0 BFADLO Clc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049714566 384558031 /nfs/dbraw/zinc/55/80/31/384558031.db2.gz GMPDHSZMLARYRD-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)n1 ZINC000356894867 384538125 /nfs/dbraw/zinc/53/81/25/384538125.db2.gz NZZUCZLMBLCAHT-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000097988457 384583205 /nfs/dbraw/zinc/58/32/05/384583205.db2.gz VXXHYHVEVNBICO-NWDGAFQWSA-N 1 2 235.327 2.516 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1ccncc1F ZINC000309804817 384632525 /nfs/dbraw/zinc/63/25/25/384632525.db2.gz RUYOORBHBYHVIX-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]CC(F)(F)c2ccccc2)CO1 ZINC000402241352 384606699 /nfs/dbraw/zinc/60/66/99/384606699.db2.gz YBTJVVAVVGLFGW-CMPLNLGQSA-N 1 2 241.281 2.545 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1nccs1 ZINC000309797715 384612215 /nfs/dbraw/zinc/61/22/15/384612215.db2.gz QNXXXIYDIXBUAE-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccnc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000309796148 384616559 /nfs/dbraw/zinc/61/65/59/384616559.db2.gz QFUUJJPNESKFIU-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO c1cc2c(s1)CN(c1cccc[nH+]1)CC2 ZINC000098177291 384599230 /nfs/dbraw/zinc/59/92/30/384599230.db2.gz IAKYBXVZOGZVDP-UHFFFAOYSA-N 1 2 216.309 2.706 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc[nH+]1 ZINC000403432835 384664992 /nfs/dbraw/zinc/66/49/92/384664992.db2.gz YJXZWRDJJPBBBL-JBLDHEPKSA-N 1 2 217.316 2.640 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)no1 ZINC000162732547 384674337 /nfs/dbraw/zinc/67/43/37/384674337.db2.gz QSKHARCJMWENDX-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)no1 ZINC000162732547 384674344 /nfs/dbraw/zinc/67/43/44/384674344.db2.gz QSKHARCJMWENDX-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(Cl)cc1 ZINC000184688461 384636934 /nfs/dbraw/zinc/63/69/34/384636934.db2.gz XBDXPMIHILUCQK-QMMMGPOBSA-N 1 2 249.688 2.618 20 0 BFADLO CC1(C)C[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000309816616 384643794 /nfs/dbraw/zinc/64/37/94/384643794.db2.gz VJQBMHSMZCLLFT-JTQLQIEISA-N 1 2 217.316 2.812 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000125499882 384724034 /nfs/dbraw/zinc/72/40/34/384724034.db2.gz KTYZYXKLXYLRLL-ZDUSSCGKSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000125499882 384724038 /nfs/dbraw/zinc/72/40/38/384724038.db2.gz KTYZYXKLXYLRLL-ZDUSSCGKSA-N 1 2 241.281 2.576 20 0 BFADLO CC(C)[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000125121502 384697771 /nfs/dbraw/zinc/69/77/71/384697771.db2.gz SAVDFHKHVPTKQM-CYBMUJFWSA-N 1 2 230.311 2.664 20 0 BFADLO Cc1cc(NC(=O)c2cccc(F)c2)cc[nH+]1 ZINC000072709736 384700577 /nfs/dbraw/zinc/70/05/77/384700577.db2.gz GWUBWAYGZPOOQN-UHFFFAOYSA-N 1 2 230.242 2.781 20 0 BFADLO Cc1cc(NC(=O)Cc2ccccc2C)cc[nH+]1 ZINC000072710069 384703004 /nfs/dbraw/zinc/70/30/04/384703004.db2.gz VEKJTAQWTGYSTF-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO CC(=O)CC[NH+](Cc1ccco1)Cc1ccco1 ZINC000125293266 384706073 /nfs/dbraw/zinc/70/60/73/384706073.db2.gz CXPYDHVAZLJKAZ-UHFFFAOYSA-N 1 2 247.294 2.854 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000185345236 384709350 /nfs/dbraw/zinc/70/93/50/384709350.db2.gz OVDSDKZWAPMSPC-WDEREUQCSA-N 1 2 218.300 2.621 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2ccon2)o1 ZINC000309929050 384729398 /nfs/dbraw/zinc/72/93/98/384729398.db2.gz XACBTSAIIUMEOT-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CCO[C@@H](CCNc1cc[nH+]c(C)n1)C(C)C ZINC000173918563 384735551 /nfs/dbraw/zinc/73/55/51/384735551.db2.gz MAECWEXFQPRFMO-LBPRGKRZSA-N 1 2 237.347 2.648 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000449890955 384779253 /nfs/dbraw/zinc/77/92/53/384779253.db2.gz IPGBJXPNDPYZRH-NHYWBVRUSA-N 1 2 246.354 2.831 20 0 BFADLO c1[nH+]c(SCCOCC2CC2)n2ccccc12 ZINC000173983686 384742141 /nfs/dbraw/zinc/74/21/41/384742141.db2.gz LSTKOORQQNCTTG-UHFFFAOYSA-N 1 2 248.351 2.853 20 0 BFADLO CC[C@H](COC)Nc1ccc(C)[nH+]c1C ZINC000087151661 384742906 /nfs/dbraw/zinc/74/29/06/384742906.db2.gz ZJPWLCRVKOFNFZ-LLVKDONJSA-N 1 2 208.305 2.535 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2occc21)c1csnn1 ZINC000334846357 384745842 /nfs/dbraw/zinc/74/58/42/384745842.db2.gz HOTNEHOINIZGGD-WPRPVWTQSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1ccc(NCc2ccnn2CC(C)C)c[nH+]1 ZINC000647193634 384758899 /nfs/dbraw/zinc/75/88/99/384758899.db2.gz LOOGHEYDSZOVLR-UHFFFAOYSA-N 1 2 244.342 2.855 20 0 BFADLO C[N@H+](Cc1cscn1)Cc1cccc(F)c1 ZINC000053094970 384763244 /nfs/dbraw/zinc/76/32/44/384763244.db2.gz FHVBUNIBZSTBRN-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cscn1)Cc1cccc(F)c1 ZINC000053094970 384763255 /nfs/dbraw/zinc/76/32/55/384763255.db2.gz FHVBUNIBZSTBRN-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO COC[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000053174070 384769385 /nfs/dbraw/zinc/76/93/85/384769385.db2.gz KJZYWAFMZTYMDB-LBPRGKRZSA-N 1 2 234.343 2.734 20 0 BFADLO CCCC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000053639427 384801471 /nfs/dbraw/zinc/80/14/71/384801471.db2.gz PRRJSLAWHOCCEM-UHFFFAOYSA-N 1 2 248.370 2.819 20 0 BFADLO CCCC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000053639427 384801475 /nfs/dbraw/zinc/80/14/75/384801475.db2.gz PRRJSLAWHOCCEM-UHFFFAOYSA-N 1 2 248.370 2.819 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCCCC1 ZINC000179278748 384879993 /nfs/dbraw/zinc/87/99/93/384879993.db2.gz XEWFFYGLKOYIQY-UHFFFAOYSA-N 1 2 215.300 2.564 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000644432636 384881261 /nfs/dbraw/zinc/88/12/61/384881261.db2.gz AXXCHESAIROTAA-UHFFFAOYSA-N 1 2 248.351 2.823 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1csnn1 ZINC000398285881 384886379 /nfs/dbraw/zinc/88/63/79/384886379.db2.gz NLLHBMABKJAKCD-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1Cl ZINC000054763520 384849464 /nfs/dbraw/zinc/84/94/64/384849464.db2.gz QEKVUABCMMQRBN-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO C[N@H+](Cc1nccs1)Cc1ccc(F)cc1 ZINC000175055446 384863393 /nfs/dbraw/zinc/86/33/93/384863393.db2.gz GKAZMHYDZXQXEQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1nccs1)Cc1ccc(F)cc1 ZINC000175055446 384863401 /nfs/dbraw/zinc/86/34/01/384863401.db2.gz GKAZMHYDZXQXEQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO O[C@H]1CCCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631093570 384868605 /nfs/dbraw/zinc/86/86/05/384868605.db2.gz LHJWQIQLUZAEHP-KGLIPLIRSA-N 1 2 242.322 2.950 20 0 BFADLO CC(C)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000243758002 384900745 /nfs/dbraw/zinc/90/07/45/384900745.db2.gz QACOPXLMTADBGY-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CC(C)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000243758002 384900747 /nfs/dbraw/zinc/90/07/47/384900747.db2.gz QACOPXLMTADBGY-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CC(C)c1cnc(C[NH2+][C@@H](C)CF)s1 ZINC000308665541 384907509 /nfs/dbraw/zinc/90/75/09/384907509.db2.gz SGBUSXWRFYAQPB-QMMMGPOBSA-N 1 2 216.325 2.714 20 0 BFADLO c1nc(N2CCCCC2)cc(NC2CCCC2)[nH+]1 ZINC000244135660 384910822 /nfs/dbraw/zinc/91/08/22/384910822.db2.gz UMGGHNTWKNOORF-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO c1nc(NC2CCCC2)cc(N2CCCCC2)[nH+]1 ZINC000244135660 384910833 /nfs/dbraw/zinc/91/08/33/384910833.db2.gz UMGGHNTWKNOORF-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO C[C@@H](O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000051821781 384919727 /nfs/dbraw/zinc/91/97/27/384919727.db2.gz JIKRZRRFMSMYEA-MRVPVSSYSA-N 1 2 248.153 2.806 20 0 BFADLO C[C@@H](O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000051821781 384919730 /nfs/dbraw/zinc/91/97/30/384919730.db2.gz JIKRZRRFMSMYEA-MRVPVSSYSA-N 1 2 248.153 2.806 20 0 BFADLO FC1(F)CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000300784667 384923419 /nfs/dbraw/zinc/92/34/19/384923419.db2.gz BACARRGKODQOAF-SECBINFHSA-N 1 2 200.232 2.709 20 0 BFADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)c(C)c1 ZINC000557423431 384935652 /nfs/dbraw/zinc/93/56/52/384935652.db2.gz XHQYGLPCCCZGOF-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C\C(C)(C)C ZINC000255692938 384939290 /nfs/dbraw/zinc/93/92/90/384939290.db2.gz WMNYCGBJZCQNJH-ALCCZGGFSA-N 1 2 234.299 2.631 20 0 BFADLO Nc1ccccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000644613947 385015670 /nfs/dbraw/zinc/01/56/70/385015670.db2.gz PFYPPGZCOXDBBM-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000107319823 384962612 /nfs/dbraw/zinc/96/26/12/384962612.db2.gz SELAQLCBNSNFFN-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CCO3)cc[nH+]1 ZINC000644615321 385020969 /nfs/dbraw/zinc/02/09/69/385020969.db2.gz POYIJLQSQFOHHG-UHFFFAOYSA-N 1 2 211.264 2.992 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000360282840 385050895 /nfs/dbraw/zinc/05/08/95/385050895.db2.gz LMIJFQABUDDNQD-MNOVXSKESA-N 1 2 243.310 2.709 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164938284 385056501 /nfs/dbraw/zinc/05/65/01/385056501.db2.gz DZPIAHXGNDZQQV-NEPJUHHUSA-N 1 2 236.359 2.896 20 0 BFADLO CC[C@@H](F)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336657740 385059421 /nfs/dbraw/zinc/05/94/21/385059421.db2.gz PUPLOSLENFAJHI-VXNVDRBHSA-N 1 2 216.325 2.850 20 0 BFADLO Cc1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)cn1 ZINC000128731894 385066565 /nfs/dbraw/zinc/06/65/65/385066565.db2.gz UYVXUFCTUGVTHX-ZDUSSCGKSA-N 1 2 242.326 2.687 20 0 BFADLO Cc1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)cn1 ZINC000128731687 385067846 /nfs/dbraw/zinc/06/78/46/385067846.db2.gz UYVXUFCTUGVTHX-CYBMUJFWSA-N 1 2 242.326 2.687 20 0 BFADLO Cc1ccc(NC(=O)C[C@H]2CCCCO2)c(C)[nH+]1 ZINC000176188998 385034493 /nfs/dbraw/zinc/03/44/93/385034493.db2.gz PZWLMDLCZFVDAO-GFCCVEGCSA-N 1 2 248.326 2.596 20 0 BFADLO c1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]c1 ZINC000403674916 385034495 /nfs/dbraw/zinc/03/44/95/385034495.db2.gz OTEDZKOFGJSJMR-GRYCIOLGSA-N 1 2 202.301 2.930 20 0 BFADLO CCCc1nc(C[N@H+](CC)C[C@H](C)CC)no1 ZINC000177852336 385127350 /nfs/dbraw/zinc/12/73/50/385127350.db2.gz ZNUNYVPEUFJRKE-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO CCCc1nc(C[N@@H+](CC)C[C@H](C)CC)no1 ZINC000177852336 385127355 /nfs/dbraw/zinc/12/73/55/385127355.db2.gz ZNUNYVPEUFJRKE-LLVKDONJSA-N 1 2 239.363 2.890 20 0 BFADLO CCCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644717116 385136006 /nfs/dbraw/zinc/13/60/06/385136006.db2.gz IWGVYVLSFMVOTF-LSDHHAIUSA-N 1 2 231.339 2.612 20 0 BFADLO CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644717116 385136010 /nfs/dbraw/zinc/13/60/10/385136010.db2.gz IWGVYVLSFMVOTF-LSDHHAIUSA-N 1 2 231.339 2.612 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2)no1 ZINC000061780714 385138032 /nfs/dbraw/zinc/13/80/32/385138032.db2.gz OIHWCZZJIOEAFM-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cccc(F)c2)no1 ZINC000061780714 385138039 /nfs/dbraw/zinc/13/80/39/385138039.db2.gz OIHWCZZJIOEAFM-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000176735884 385140900 /nfs/dbraw/zinc/14/09/00/385140900.db2.gz QDSBODJSAKEDOF-BXKDBHETSA-N 1 2 247.342 2.961 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CC[C@](C)(F)C1 ZINC000334154783 385102357 /nfs/dbraw/zinc/10/23/57/385102357.db2.gz SMJNKMOZSAMFFY-ZDUSSCGKSA-N 1 2 233.290 2.512 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCSC2)cc[nH+]1 ZINC000308822169 385192666 /nfs/dbraw/zinc/19/26/66/385192666.db2.gz CJEKXQVCCSVDQK-SECBINFHSA-N 1 2 223.345 2.517 20 0 BFADLO Cc1noc(C)c1[C@@H](C)CNc1cccc[nH+]1 ZINC000129551238 385162316 /nfs/dbraw/zinc/16/23/16/385162316.db2.gz PMGWYUBTFVQGDZ-VIFPVBQESA-N 1 2 231.299 2.902 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cn2ccccc2n1 ZINC000310809042 385179773 /nfs/dbraw/zinc/17/97/73/385179773.db2.gz ZCPSPRMWUSLPMM-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)cn1 ZINC000110223457 385225362 /nfs/dbraw/zinc/22/53/62/385225362.db2.gz MZMOZKVTZNHYNY-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CC(C)CCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000110323786 385227882 /nfs/dbraw/zinc/22/78/82/385227882.db2.gz RBRUFCQPBNUOJO-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO c1csc(C[N@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000130266288 385235509 /nfs/dbraw/zinc/23/55/09/385235509.db2.gz FXKSVAPYWVZNFK-UHFFFAOYSA-N 1 2 233.340 2.636 20 0 BFADLO c1csc(C[N@@H+](Cc2cc[nH]n2)C2CC2)c1 ZINC000130266288 385235514 /nfs/dbraw/zinc/23/55/14/385235514.db2.gz FXKSVAPYWVZNFK-UHFFFAOYSA-N 1 2 233.340 2.636 20 0 BFADLO C[C@@H](c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000334248236 385248601 /nfs/dbraw/zinc/24/86/01/385248601.db2.gz PBIDKXQETVKLQT-JTQLQIEISA-N 1 2 225.719 2.733 20 0 BFADLO C[C@](O)(CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000310962603 385255754 /nfs/dbraw/zinc/25/57/54/385255754.db2.gz ODGWGSBFLYTDJT-HNNXBMFYSA-N 1 2 242.322 2.808 20 0 BFADLO CN(Cc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000177230246 385204094 /nfs/dbraw/zinc/20/40/94/385204094.db2.gz FVRWTYQTKJMROI-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CSCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000308904918 385277492 /nfs/dbraw/zinc/27/74/92/385277492.db2.gz LZLXLBGOUUWQCR-JTQLQIEISA-N 1 2 231.311 2.945 20 0 BFADLO Cc1cc(F)c(C[NH+]2CC3(CC3)C2)c(F)c1 ZINC000425374934 385323341 /nfs/dbraw/zinc/32/33/41/385323341.db2.gz YHNVMMHMYRXEDQ-UHFFFAOYSA-N 1 2 223.266 2.869 20 0 BFADLO Cc1ccc(NC(=O)N(C)C(C)C)c(C)[nH+]1 ZINC000178138873 385337666 /nfs/dbraw/zinc/33/76/66/385337666.db2.gz OPXWLNKSPGEPKV-UHFFFAOYSA-N 1 2 221.304 2.571 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)c[nH+]1 ZINC000407998371 385344981 /nfs/dbraw/zinc/34/49/81/385344981.db2.gz QZMWLJCRWJJFLG-MWLCHTKSSA-N 1 2 249.358 2.663 20 0 BFADLO CCSCc1cc[nH+]c(NCc2cocn2)c1 ZINC000192338536 385352445 /nfs/dbraw/zinc/35/24/45/385352445.db2.gz PNMKYFXUQCYWDH-UHFFFAOYSA-N 1 2 249.339 2.935 20 0 BFADLO c1cc(NC2CCCC2)nc(C2CC2)[nH+]1 ZINC000110111416 385381953 /nfs/dbraw/zinc/38/19/53/385381953.db2.gz FBTDABDCHMBONZ-UHFFFAOYSA-N 1 2 203.289 2.709 20 0 BFADLO CC[C@@](C)(CNc1ccc(C)[nH+]c1C)OC ZINC000319461279 385404267 /nfs/dbraw/zinc/40/42/67/385404267.db2.gz PAXOTDIAMCCMAH-ZDUSSCGKSA-N 1 2 222.332 2.925 20 0 BFADLO C[C@H]1OCC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000360802511 385408428 /nfs/dbraw/zinc/40/84/28/385408428.db2.gz DJSOSGLXMUKSLO-MFKMUULPSA-N 1 2 232.327 2.550 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cccc(F)c1F ZINC000156515297 385456274 /nfs/dbraw/zinc/45/62/74/385456274.db2.gz YFVIEPPQSISHHV-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cccc(F)c1F ZINC000156515297 385456276 /nfs/dbraw/zinc/45/62/76/385456276.db2.gz YFVIEPPQSISHHV-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO c1cc(CNc2cc(NCC3CC3)[nH+]cn2)co1 ZINC000179288808 385457350 /nfs/dbraw/zinc/45/73/50/385457350.db2.gz MFRMASHLUYJVPX-UHFFFAOYSA-N 1 2 244.298 2.504 20 0 BFADLO c1cc(CNc2cc(NCC3CC3)nc[nH+]2)co1 ZINC000179288808 385457354 /nfs/dbraw/zinc/45/73/54/385457354.db2.gz MFRMASHLUYJVPX-UHFFFAOYSA-N 1 2 244.298 2.504 20 0 BFADLO CCSCCCNc1cc[nH+]c(C2CC2)n1 ZINC000281893255 385457375 /nfs/dbraw/zinc/45/73/75/385457375.db2.gz MFWGGYWKMMBRGL-UHFFFAOYSA-N 1 2 237.372 2.909 20 0 BFADLO C[C@H](CCC1CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000518777018 385469565 /nfs/dbraw/zinc/46/95/65/385469565.db2.gz OPINZXGUMXWWAM-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccnc2)sc1C ZINC000179522473 385472201 /nfs/dbraw/zinc/47/22/01/385472201.db2.gz SKYSUIZSLWDWCD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccnc2)sc1C ZINC000179522473 385472205 /nfs/dbraw/zinc/47/22/05/385472205.db2.gz SKYSUIZSLWDWCD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(O)c1 ZINC000179568174 385473528 /nfs/dbraw/zinc/47/35/28/385473528.db2.gz PEWMVNGEWQCFHK-LBPRGKRZSA-N 1 2 242.322 2.771 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(O)c1 ZINC000179568174 385473531 /nfs/dbraw/zinc/47/35/31/385473531.db2.gz PEWMVNGEWQCFHK-LBPRGKRZSA-N 1 2 242.322 2.771 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(O)c1 ZINC000179568164 385474831 /nfs/dbraw/zinc/47/48/31/385474831.db2.gz PEWMVNGEWQCFHK-GFCCVEGCSA-N 1 2 242.322 2.771 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(O)c1 ZINC000179568164 385474835 /nfs/dbraw/zinc/47/48/35/385474835.db2.gz PEWMVNGEWQCFHK-GFCCVEGCSA-N 1 2 242.322 2.771 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@@H]2C1 ZINC000179315384 385458850 /nfs/dbraw/zinc/45/88/50/385458850.db2.gz ITAAVKYYZYPENP-TXEJJXNPSA-N 1 2 241.338 2.810 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000179302401 385459742 /nfs/dbraw/zinc/45/97/42/385459742.db2.gz BSEGYHVXGZXRMD-PHIMTYICSA-N 1 2 241.338 2.666 20 0 BFADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000179828084 385493786 /nfs/dbraw/zinc/49/37/86/385493786.db2.gz ASWYAGJYWWJZSS-MWLCHTKSSA-N 1 2 235.331 2.946 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@H](C)C2)o1 ZINC000179864962 385496662 /nfs/dbraw/zinc/49/66/62/385496662.db2.gz MNVMUFSYDQLLSX-DMDPSCGWSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@H](C)C2)o1 ZINC000179864962 385496667 /nfs/dbraw/zinc/49/66/67/385496667.db2.gz MNVMUFSYDQLLSX-DMDPSCGWSA-N 1 2 235.327 2.624 20 0 BFADLO C[N@H+](Cc1csnn1)[C@H]1CCc2ccccc21 ZINC000179908379 385499530 /nfs/dbraw/zinc/49/95/30/385499530.db2.gz ZJBSYQOCDPWQKT-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1csnn1)[C@H]1CCc2ccccc21 ZINC000179908379 385499532 /nfs/dbraw/zinc/49/95/32/385499532.db2.gz ZJBSYQOCDPWQKT-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000179909376 385499719 /nfs/dbraw/zinc/49/97/19/385499719.db2.gz JEDKWNIBYKFSLP-HNNXBMFYSA-N 1 2 241.338 2.837 20 0 BFADLO CCc1cc(OCCOC)c2ccccc2[nH+]1 ZINC000179976698 385502854 /nfs/dbraw/zinc/50/28/54/385502854.db2.gz TZMRDZRUUBMHCM-UHFFFAOYSA-N 1 2 231.295 2.822 20 0 BFADLO Fc1cccc(C[N@H+](Cc2cnc[nH]2)C2CC2)c1 ZINC000180032966 385504169 /nfs/dbraw/zinc/50/41/69/385504169.db2.gz DNZBTIBSOQVMCI-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2cnc[nH]2)C2CC2)c1 ZINC000180032966 385504172 /nfs/dbraw/zinc/50/41/72/385504172.db2.gz DNZBTIBSOQVMCI-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1cccc(C[N@H+](Cc2c[nH]cn2)C2CC2)c1 ZINC000180032966 385504177 /nfs/dbraw/zinc/50/41/77/385504177.db2.gz DNZBTIBSOQVMCI-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1cccc(C[N@@H+](Cc2c[nH]cn2)C2CC2)c1 ZINC000180032966 385504179 /nfs/dbraw/zinc/50/41/79/385504179.db2.gz DNZBTIBSOQVMCI-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO c1csc(C[N@H+](Cc2c[nH]cn2)C2CC2)c1 ZINC000180035317 385504905 /nfs/dbraw/zinc/50/49/05/385504905.db2.gz FZJNEHBXXIXGLW-UHFFFAOYSA-N 1 2 233.340 2.636 20 0 BFADLO c1csc(C[N@@H+](Cc2c[nH]cn2)C2CC2)c1 ZINC000180035317 385504911 /nfs/dbraw/zinc/50/49/11/385504911.db2.gz FZJNEHBXXIXGLW-UHFFFAOYSA-N 1 2 233.340 2.636 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H](C)C2)cc[nH+]1 ZINC000106461846 385509482 /nfs/dbraw/zinc/50/94/82/385509482.db2.gz DINKZWVXKXFOHW-LLVKDONJSA-N 1 2 219.332 2.836 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H]1CCCOCC1)C(F)(F)F ZINC000309322761 385533236 /nfs/dbraw/zinc/53/32/36/385533236.db2.gz FNCXJKLGVADTNI-ZJUUUORDSA-N 1 2 239.281 2.732 20 0 BFADLO CCC(CC)(CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493147503 385535472 /nfs/dbraw/zinc/53/54/72/385535472.db2.gz FDYQGBUNUISJNG-BQYQJAHWSA-N 1 2 249.358 2.756 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+]1CCCC(C)(C)C1 ZINC000171833502 385521211 /nfs/dbraw/zinc/52/12/11/385521211.db2.gz OXKRDWJWPVASSS-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+]1CCCC(C)(C)C1 ZINC000171833502 385521215 /nfs/dbraw/zinc/52/12/15/385521215.db2.gz OXKRDWJWPVASSS-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO c1coc(CSCCCn2cc[nH+]c2)c1 ZINC000180428053 385523185 /nfs/dbraw/zinc/52/31/85/385523185.db2.gz CGWWKPQTOLDWOE-UHFFFAOYSA-N 1 2 222.313 2.800 20 0 BFADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000493254279 385557547 /nfs/dbraw/zinc/55/75/47/385557547.db2.gz LQJQGUFNXXVBOY-SKVAFPRGSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(F)(F)F ZINC000309384704 385558993 /nfs/dbraw/zinc/55/89/93/385558993.db2.gz SNAHLBACZIJVLF-GUBZILKMSA-N 1 2 239.281 2.588 20 0 BFADLO Cc1occc1C(=O)Nc1cc[nH+]cc1C ZINC000107293246 385561146 /nfs/dbraw/zinc/56/11/46/385561146.db2.gz VOYONLQUSLDYCP-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(F)cc1F ZINC000107291069 385561197 /nfs/dbraw/zinc/56/11/97/385561197.db2.gz YXCLLMHKADWLAY-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1ccc(F)cc1 ZINC000107289986 385561279 /nfs/dbraw/zinc/56/12/79/385561279.db2.gz AGRIXGIZRULSMD-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1cccs1 ZINC000107291066 385561332 /nfs/dbraw/zinc/56/13/32/385561332.db2.gz SHMBENYLPNTUNO-UHFFFAOYSA-N 1 2 232.308 2.633 20 0 BFADLO Cc1nc(C)c(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000107294161 385561739 /nfs/dbraw/zinc/56/17/39/385561739.db2.gz LTPHMEPGWXHESX-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107285926 385563146 /nfs/dbraw/zinc/56/31/46/385563146.db2.gz HWAOBNRCVZJPGB-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO CCCC[C@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493729869 385606880 /nfs/dbraw/zinc/60/68/80/385606880.db2.gz WSQLRINHJNQCCA-LAUAKBEESA-N 1 2 249.358 2.898 20 0 BFADLO FCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000309478315 385606341 /nfs/dbraw/zinc/60/63/41/385606341.db2.gz COZOFEIIFRPSHX-UHFFFAOYSA-N 1 2 236.315 2.869 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2cnccc21 ZINC000645195828 385598124 /nfs/dbraw/zinc/59/81/24/385598124.db2.gz YDPMAAYNUKUPIT-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)oc1C ZINC000181566470 385583682 /nfs/dbraw/zinc/58/36/82/385583682.db2.gz XTFLCQMCNPEQCT-JTQLQIEISA-N 1 2 246.310 2.848 20 0 BFADLO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cn[nH]c1C ZINC000309492496 385622253 /nfs/dbraw/zinc/62/22/53/385622253.db2.gz XMAJSLSUSYVLLE-VIFPVBQESA-N 1 2 235.253 2.539 20 0 BFADLO CC(C)(C)OCCCOc1cc[nH+]cc1 ZINC000644869896 385627913 /nfs/dbraw/zinc/62/79/13/385627913.db2.gz WCWMMGRHORRSDI-UHFFFAOYSA-N 1 2 209.289 2.666 20 0 BFADLO Cc1nscc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000182143222 385637372 /nfs/dbraw/zinc/63/73/72/385637372.db2.gz UAQHMTCVKZHLGD-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cc[nH+]c(NCCC(C)(C)O)c1Cl ZINC000336733713 385641327 /nfs/dbraw/zinc/64/13/27/385641327.db2.gz MQEPOPOVNTWKLJ-UHFFFAOYSA-N 1 2 228.723 2.616 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccc1F)c1nccn1C ZINC000182203120 385644370 /nfs/dbraw/zinc/64/43/70/385644370.db2.gz NHFJSZYEIOWONI-ZDUSSCGKSA-N 1 2 247.317 2.800 20 0 BFADLO CC(C)c1nc(N[C@H]2C[C@@H]2C2CC2)cc[nH+]1 ZINC000309536039 385676589 /nfs/dbraw/zinc/67/65/89/385676589.db2.gz FAJTVPREBINEAV-MNOVXSKESA-N 1 2 217.316 2.810 20 0 BFADLO CC(C)c1cnc(NCc2[nH+]ccn2C)s1 ZINC000309536996 385677138 /nfs/dbraw/zinc/67/71/38/385677138.db2.gz FFSBPFNGDTZROY-UHFFFAOYSA-N 1 2 236.344 2.612 20 0 BFADLO C[C@@H]1COCC[N@@H+]1CCSc1cccs1 ZINC000188298282 385685495 /nfs/dbraw/zinc/68/54/95/385685495.db2.gz YYVOHDPLVJZTKX-SNVBAGLBSA-N 1 2 243.397 2.561 20 0 BFADLO C[C@@H]1COCC[N@H+]1CCSc1cccs1 ZINC000188298282 385685503 /nfs/dbraw/zinc/68/55/03/385685503.db2.gz YYVOHDPLVJZTKX-SNVBAGLBSA-N 1 2 243.397 2.561 20 0 BFADLO COc1cc(C)[nH+]c(CN2CC=C(C)CC2)c1 ZINC000270307250 385696293 /nfs/dbraw/zinc/69/62/93/385696293.db2.gz PINTWVZYJJNVOS-UHFFFAOYSA-N 1 2 232.327 2.551 20 0 BFADLO Fc1ccc(C[NH2+]Cc2ccc(Cl)o2)nc1 ZINC000309561637 385699250 /nfs/dbraw/zinc/69/92/50/385699250.db2.gz JLVFYTWHXQGRGJ-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Cc1nnc(C[N@H+]2CC=C(C(C)(C)C)CC2)o1 ZINC000270403598 385706117 /nfs/dbraw/zinc/70/61/17/385706117.db2.gz VUZJVEYKXINQGZ-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1nnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)o1 ZINC000270403598 385706120 /nfs/dbraw/zinc/70/61/20/385706120.db2.gz VUZJVEYKXINQGZ-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC2CCC1CC2 ZINC000340040647 385716671 /nfs/dbraw/zinc/71/66/71/385716671.db2.gz MYRXNOXDBBCLJG-WXRRBKDZSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1nnc(C(C)C)[nH]1 ZINC000270713862 385732226 /nfs/dbraw/zinc/73/22/26/385732226.db2.gz MBTXGHGAKFFALF-SNVBAGLBSA-N 1 2 248.330 2.680 20 0 BFADLO CSCC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000282128786 385734738 /nfs/dbraw/zinc/73/47/38/385734738.db2.gz LDAHJSPNOCKAIO-UHFFFAOYSA-N 1 2 238.356 2.718 20 0 BFADLO CO[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000282307046 385749903 /nfs/dbraw/zinc/74/99/03/385749903.db2.gz XVYSSNJTWOBEJN-GFCCVEGCSA-N 1 2 236.702 2.924 20 0 BFADLO CCN(Cc1[nH+]cc(C)n1C)Cc1occc1C ZINC000414554728 385753801 /nfs/dbraw/zinc/75/38/01/385753801.db2.gz VQTLNCQWFKSPOI-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000270986451 385767844 /nfs/dbraw/zinc/76/78/44/385767844.db2.gz FYGWMCJANHJWDP-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1ccoc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000270986451 385767849 /nfs/dbraw/zinc/76/78/49/385767849.db2.gz FYGWMCJANHJWDP-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO FC1(F)CCC[C@@H](COCc2[nH]cc[nH+]2)C1 ZINC000337747965 385773718 /nfs/dbraw/zinc/77/37/18/385773718.db2.gz HMIAYXHIAIZXLI-SECBINFHSA-N 1 2 230.258 2.752 20 0 BFADLO Fc1cc(Cl)ccc1C[NH2+]Cc1cocn1 ZINC000309592413 385722859 /nfs/dbraw/zinc/72/28/59/385722859.db2.gz SOUNASXHLFHYGJ-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CC(C)[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283014680 385801660 /nfs/dbraw/zinc/80/16/60/385801660.db2.gz NEKLTNDURIXMBG-QWRGUYRKSA-N 1 2 237.347 2.515 20 0 BFADLO Cc1ccc(N[C@H]2CCCOCC2)c(C)[nH+]1 ZINC000087151892 385811769 /nfs/dbraw/zinc/81/17/69/385811769.db2.gz WUPFHMWVAGUVDG-LBPRGKRZSA-N 1 2 220.316 2.679 20 0 BFADLO CCCC(=CC(=O)NCCn1cc[nH+]c1)CCC ZINC000271288420 385813645 /nfs/dbraw/zinc/81/36/45/385813645.db2.gz SMGVVWPWDAFLNL-UHFFFAOYSA-N 1 2 249.358 2.526 20 0 BFADLO FC(F)(F)[C@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000336737939 385824354 /nfs/dbraw/zinc/82/43/54/385824354.db2.gz QVMMXGSTAFFHTK-VXNVDRBHSA-N 1 2 239.306 2.670 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000271425612 385827312 /nfs/dbraw/zinc/82/73/12/385827312.db2.gz MZVQGYMBGNTDLQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000271425612 385827313 /nfs/dbraw/zinc/82/73/13/385827313.db2.gz MZVQGYMBGNTDLQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nccs1 ZINC000271442311 385828671 /nfs/dbraw/zinc/82/86/71/385828671.db2.gz CJTZTZLZDORVNB-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1nccs1 ZINC000271442311 385828673 /nfs/dbraw/zinc/82/86/73/385828673.db2.gz CJTZTZLZDORVNB-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cscn1 ZINC000271446124 385828824 /nfs/dbraw/zinc/82/88/24/385828824.db2.gz CZEGXCLJBLKSOL-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cscn1 ZINC000271446124 385828826 /nfs/dbraw/zinc/82/88/26/385828826.db2.gz CZEGXCLJBLKSOL-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000271455899 385831105 /nfs/dbraw/zinc/83/11/05/385831105.db2.gz FMJREJKVDBLYDW-MFKMUULPSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccn1 ZINC000271455899 385831107 /nfs/dbraw/zinc/83/11/07/385831107.db2.gz FMJREJKVDBLYDW-MFKMUULPSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC=C(F)C2)c(C)n1 ZINC000335692047 385837390 /nfs/dbraw/zinc/83/73/90/385837390.db2.gz VKKFBBJFRLTTLM-UHFFFAOYSA-N 1 2 220.291 2.758 20 0 BFADLO Cc1ccc(C[N@H+]2CCC=C(F)C2)c(C)n1 ZINC000335692047 385837392 /nfs/dbraw/zinc/83/73/92/385837392.db2.gz VKKFBBJFRLTTLM-UHFFFAOYSA-N 1 2 220.291 2.758 20 0 BFADLO CCCc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000644837977 385849661 /nfs/dbraw/zinc/84/96/61/385849661.db2.gz LTIOUSLVSDYGBI-CABCVRRESA-N 1 2 231.339 2.612 20 0 BFADLO CCCc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000644837977 385849665 /nfs/dbraw/zinc/84/96/65/385849665.db2.gz LTIOUSLVSDYGBI-CABCVRRESA-N 1 2 231.339 2.612 20 0 BFADLO C[C@H](CCO)C1(CNc2cccc[nH+]2)CCC1 ZINC000271832541 385852935 /nfs/dbraw/zinc/85/29/35/385852935.db2.gz PCABHHUHQRFSNK-GFCCVEGCSA-N 1 2 234.343 2.682 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)C(C)C ZINC000271148751 385793829 /nfs/dbraw/zinc/79/38/29/385793829.db2.gz SENBHPQLOQAJPA-NSHDSACASA-N 1 2 235.331 2.898 20 0 BFADLO Cc1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c[nH+]1 ZINC000272283161 385890950 /nfs/dbraw/zinc/89/09/50/385890950.db2.gz OWULXGRVSDORIC-MCIONIFRSA-N 1 2 244.338 2.760 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000294867730 385907528 /nfs/dbraw/zinc/90/75/28/385907528.db2.gz HINUWDTWSCECBS-CMDGGOBGSA-N 1 2 218.300 2.993 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)Cc1ccccc1F ZINC000647857871 385914101 /nfs/dbraw/zinc/91/41/01/385914101.db2.gz PPMWUHVPSRWCKH-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CSc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)[nH+]c1 ZINC000294918386 385916339 /nfs/dbraw/zinc/91/63/39/385916339.db2.gz AOSJQHHZQVZAEM-FXPVBKGRSA-N 1 2 238.356 2.781 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)cs1 ZINC000294934537 385922735 /nfs/dbraw/zinc/92/27/35/385922735.db2.gz UQWXFLSJZMFREL-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)cs1 ZINC000294934537 385922739 /nfs/dbraw/zinc/92/27/39/385922739.db2.gz UQWXFLSJZMFREL-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CC(C)n1cc[nH+]c1CNc1cccc(CO)c1 ZINC000271930095 385861120 /nfs/dbraw/zinc/86/11/20/385861120.db2.gz HLMRYVJDLBHDLQ-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000272059704 385871461 /nfs/dbraw/zinc/87/14/61/385871461.db2.gz RWKDSRQDZZKTIW-RISCZKNCSA-N 1 2 247.338 2.597 20 0 BFADLO C[C@@H](CN(C)c1cccc[nH+]1)c1nccs1 ZINC000273228331 385980025 /nfs/dbraw/zinc/98/00/25/385980025.db2.gz VXIQAVMWQVHHII-JTQLQIEISA-N 1 2 233.340 2.778 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)C(F)(F)F ZINC000414146615 385995266 /nfs/dbraw/zinc/99/52/66/385995266.db2.gz VJXALSSJUWEABR-HXFLIBJXSA-N 1 2 209.255 2.961 20 0 BFADLO C[C@@H]([NH2+]Cc1ccno1)c1ccc(F)cc1F ZINC000219363903 385930857 /nfs/dbraw/zinc/93/08/57/385930857.db2.gz XJKPYAFDEBBXIU-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000335040069 385931103 /nfs/dbraw/zinc/93/11/03/385931103.db2.gz BKKXBVQACAQRLW-GHMZBOCLSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000335040071 385931881 /nfs/dbraw/zinc/93/18/81/385931881.db2.gz BKKXBVQACAQRLW-QWRGUYRKSA-N 1 2 248.326 2.855 20 0 BFADLO CS[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000295023950 385943994 /nfs/dbraw/zinc/94/39/94/385943994.db2.gz QYFHTRIBKSUFBG-SNVBAGLBSA-N 1 2 245.351 2.572 20 0 BFADLO CO[C@@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272910412 385950566 /nfs/dbraw/zinc/95/05/66/385950566.db2.gz RCSVYZLODWVGGY-JTQLQIEISA-N 1 2 249.358 2.501 20 0 BFADLO Cc1noc(C)c1-c1c[nH+]c(C(C)C)n1C ZINC000623166123 385951020 /nfs/dbraw/zinc/95/10/20/385951020.db2.gz JQJAQCLPUYAJDG-UHFFFAOYSA-N 1 2 219.288 2.815 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCN2)[C@H]1CCCOC1 ZINC000335057078 385956801 /nfs/dbraw/zinc/95/68/01/385956801.db2.gz WXYCWORPQVKNNL-YPMHNXCESA-N 1 2 246.354 2.882 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCOC1 ZINC000335057078 385956806 /nfs/dbraw/zinc/95/68/06/385956806.db2.gz WXYCWORPQVKNNL-YPMHNXCESA-N 1 2 246.354 2.882 20 0 BFADLO Cc1cc(C(=O)NCc2c[nH+]c(C)cc2C)co1 ZINC000335058393 385958843 /nfs/dbraw/zinc/95/88/43/385958843.db2.gz OIKSYCBWNJSCIC-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO Cc1[nH+]cccc1NCC1CCSCC1 ZINC000638786492 385965637 /nfs/dbraw/zinc/96/56/37/385965637.db2.gz OLRRKCKSDVCPEZ-UHFFFAOYSA-N 1 2 222.357 2.945 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)co1 ZINC000647968095 386003528 /nfs/dbraw/zinc/00/35/28/386003528.db2.gz NOCIAFLIZZXLGM-SNVBAGLBSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccc(O)c2)co1 ZINC000647968095 386003534 /nfs/dbraw/zinc/00/35/34/386003534.db2.gz NOCIAFLIZZXLGM-SNVBAGLBSA-N 1 2 246.310 2.882 20 0 BFADLO CCc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)nc[nH+]1 ZINC000645366422 386003776 /nfs/dbraw/zinc/00/37/76/386003776.db2.gz RISHOCXOXKVBIR-TXEJJXNPSA-N 1 2 249.358 2.797 20 0 BFADLO Cc1cc[nH+]c(N[C@@H](C)CCCO)c1Cl ZINC000336769812 386004310 /nfs/dbraw/zinc/00/43/10/386004310.db2.gz VXASEVAZCZUXNR-VIFPVBQESA-N 1 2 228.723 2.616 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cncs1 ZINC000336752004 386012295 /nfs/dbraw/zinc/01/22/95/386012295.db2.gz GUEDWMWVHXSZBM-JGVFFNPUSA-N 1 2 223.301 2.543 20 0 BFADLO Cc1cc(CNC(=O)C2CCCC2)cc(C)[nH+]1 ZINC000335070977 386019514 /nfs/dbraw/zinc/01/95/14/386019514.db2.gz KWEQECUQFWUEIF-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000414181590 386021776 /nfs/dbraw/zinc/02/17/76/386021776.db2.gz MOFUWBLGUIRPLU-QWRGUYRKSA-N 1 2 247.342 2.987 20 0 BFADLO Cc1ccc(NC2CC(OC(C)C)C2)c[nH+]1 ZINC000189548601 386021935 /nfs/dbraw/zinc/02/19/35/386021935.db2.gz VQUJYLAMDOUSAU-UHFFFAOYSA-N 1 2 220.316 2.758 20 0 BFADLO CCC[N@@H+]1CC(=O)NC12CCC(C)(CC)CC2 ZINC000414180249 386022469 /nfs/dbraw/zinc/02/24/69/386022469.db2.gz JMCIZGMBOFIEOQ-UHFFFAOYSA-N 1 2 238.375 2.515 20 0 BFADLO CCC[N@H+]1CC(=O)NC12CCC(C)(CC)CC2 ZINC000414180249 386022475 /nfs/dbraw/zinc/02/24/75/386022475.db2.gz JMCIZGMBOFIEOQ-UHFFFAOYSA-N 1 2 238.375 2.515 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000414181591 386023132 /nfs/dbraw/zinc/02/31/32/386023132.db2.gz MOFUWBLGUIRPLU-WDEREUQCSA-N 1 2 247.342 2.987 20 0 BFADLO CC(C)c1nc(NCc2ccncc2)cc[nH+]1 ZINC000129040101 386045776 /nfs/dbraw/zinc/04/57/76/386045776.db2.gz MMGTUHSLKQXUHR-UHFFFAOYSA-N 1 2 228.299 2.607 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C)n2)no1 ZINC000414159486 386045977 /nfs/dbraw/zinc/04/59/77/386045977.db2.gz BKZNZKDAFVQTTK-LBPRGKRZSA-N 1 2 245.326 2.846 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425426947 386050634 /nfs/dbraw/zinc/05/06/34/386050634.db2.gz TUKBHMJYWPQJNA-NSHDSACASA-N 1 2 245.273 2.629 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425426947 386050640 /nfs/dbraw/zinc/05/06/40/386050640.db2.gz TUKBHMJYWPQJNA-NSHDSACASA-N 1 2 245.273 2.629 20 0 BFADLO c1cc2c(o1)CCC[N@@H+](CCN1CCCCC1)C2 ZINC000334432954 386053421 /nfs/dbraw/zinc/05/34/21/386053421.db2.gz XBVVQZWGRUYVME-UHFFFAOYSA-N 1 2 248.370 2.514 20 0 BFADLO c1cc2c(o1)CCC[N@H+](CCN1CCCCC1)C2 ZINC000334432954 386053426 /nfs/dbraw/zinc/05/34/26/386053426.db2.gz XBVVQZWGRUYVME-UHFFFAOYSA-N 1 2 248.370 2.514 20 0 BFADLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C(C)C)n1 ZINC000037981025 386109056 /nfs/dbraw/zinc/10/90/56/386109056.db2.gz HZCDICGWULHCFH-CQSZACIVSA-N 1 2 245.326 2.865 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC(F)(F)C2)c1 ZINC000345827420 386118180 /nfs/dbraw/zinc/11/81/80/386118180.db2.gz HNCQAYCIULRHJW-UHFFFAOYSA-N 1 2 211.255 2.836 20 0 BFADLO Cc1cccc(C[N@H+]2CCC(F)(F)C2)c1 ZINC000345827420 386118185 /nfs/dbraw/zinc/11/81/85/386118185.db2.gz HNCQAYCIULRHJW-UHFFFAOYSA-N 1 2 211.255 2.836 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc2c(c1)CCC2 ZINC000647929981 386121315 /nfs/dbraw/zinc/12/13/15/386121315.db2.gz KMRWWUGLNHATMR-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc2c(c1)CCC2 ZINC000647929981 386121319 /nfs/dbraw/zinc/12/13/19/386121319.db2.gz KMRWWUGLNHATMR-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO FC(F)C[C@H]1COCC[N@@H+]1Cc1cccs1 ZINC000286623114 386060767 /nfs/dbraw/zinc/06/07/67/386060767.db2.gz XTEBJMRQMQVUPN-VIFPVBQESA-N 1 2 247.310 2.604 20 0 BFADLO FC(F)C[C@H]1COCC[N@H+]1Cc1cccs1 ZINC000286623114 386060772 /nfs/dbraw/zinc/06/07/72/386060772.db2.gz XTEBJMRQMQVUPN-VIFPVBQESA-N 1 2 247.310 2.604 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000345247875 386080616 /nfs/dbraw/zinc/08/06/16/386080616.db2.gz JJNRERHJFZTNBQ-GHMZBOCLSA-N 1 2 243.310 2.709 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287874822 386154437 /nfs/dbraw/zinc/15/44/37/386154437.db2.gz PMGIGWRNHJCEBC-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO COC[C@H]([NH2+]Cc1ccoc1C)c1ccc(C)o1 ZINC000414367189 386162565 /nfs/dbraw/zinc/16/25/65/386162565.db2.gz RIHVOBADMSFGFT-ZDUSSCGKSA-N 1 2 249.310 2.967 20 0 BFADLO Cc1ccc(Cc2noc(CC3(C)CC3)n2)c[nH+]1 ZINC000346131370 386163204 /nfs/dbraw/zinc/16/32/04/386163204.db2.gz JPXYHEWWQPSTEI-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CC[C@@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296352963 386167505 /nfs/dbraw/zinc/16/75/05/386167505.db2.gz ZBJMBKQWQJEIAP-SECBINFHSA-N 1 2 246.310 2.833 20 0 BFADLO FCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000436315857 386172140 /nfs/dbraw/zinc/17/21/40/386172140.db2.gz QPYTZWPHORDDFA-CQSZACIVSA-N 1 2 248.276 2.869 20 0 BFADLO Cc1ccc(C)c([N@H+](C)CCCCCO)c1 ZINC000263814199 386180312 /nfs/dbraw/zinc/18/03/12/386180312.db2.gz XTLYRJUOKJHSJL-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)CCCCCO)c1 ZINC000263814199 386180321 /nfs/dbraw/zinc/18/03/21/386180321.db2.gz XTLYRJUOKJHSJL-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000287524344 386131338 /nfs/dbraw/zinc/13/13/38/386131338.db2.gz MZJVBYFLGALWFF-UHFFFAOYSA-N 1 2 233.315 2.715 20 0 BFADLO CCC1(C)C[NH+](Cc2nc3ccccc3n2C)C1 ZINC000297468386 386259395 /nfs/dbraw/zinc/25/93/95/386259395.db2.gz SEKCUGKHITWMJN-UHFFFAOYSA-N 1 2 243.354 2.805 20 0 BFADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cscn1 ZINC000288619609 386223337 /nfs/dbraw/zinc/22/33/37/386223337.db2.gz RLNZLNKFGAJKLR-ZANVPECISA-N 1 2 246.335 2.755 20 0 BFADLO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cscn1 ZINC000288619599 386223444 /nfs/dbraw/zinc/22/34/44/386223444.db2.gz RLNZLNKFGAJKLR-RNCFNFMXSA-N 1 2 246.335 2.755 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2cscn2)s1 ZINC000125181746 386224000 /nfs/dbraw/zinc/22/40/00/386224000.db2.gz JTAZTZOMNAXSTQ-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1coc(C)n1 ZINC000647969706 386235527 /nfs/dbraw/zinc/23/55/27/386235527.db2.gz LHVUTZWNFDHNEM-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1coc(C)n1 ZINC000647969706 386235529 /nfs/dbraw/zinc/23/55/29/386235529.db2.gz LHVUTZWNFDHNEM-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1cnc(C[N@@H+]2CCCc3occc3C2)o1 ZINC000288882677 386239749 /nfs/dbraw/zinc/23/97/49/386239749.db2.gz REKXISXFHWHNRJ-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO Cc1cnc(C[N@H+]2CCCc3occc3C2)o1 ZINC000288882677 386239755 /nfs/dbraw/zinc/23/97/55/386239755.db2.gz REKXISXFHWHNRJ-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO CCC1(C)C[NH+](Cc2csc(C)n2)C1 ZINC000297379290 386248334 /nfs/dbraw/zinc/24/83/34/386248334.db2.gz JEJNGBAPEJWJJV-UHFFFAOYSA-N 1 2 210.346 2.683 20 0 BFADLO CC[C@@H](C)c1noc(Cc2ccc[nH+]c2C)n1 ZINC000289023506 386252449 /nfs/dbraw/zinc/25/24/49/386252449.db2.gz PIFUSQPPYKQNJX-SECBINFHSA-N 1 2 231.299 2.877 20 0 BFADLO Cc1ccc(Cc2nc(C(C)(C)C)no2)c[nH+]1 ZINC000264615293 386254428 /nfs/dbraw/zinc/25/44/28/386254428.db2.gz KXPYMDCSHLXNTM-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@H](C[NH+]=c1[nH]c2ccccc2[nH]1)CC(F)F ZINC000645305386 386194461 /nfs/dbraw/zinc/19/44/61/386194461.db2.gz PSZHMLBMIWEUSH-QMMMGPOBSA-N 1 2 239.269 2.688 20 0 BFADLO Cc1cccc(C[NH2+]Cc2noc(C3CC3)n2)c1 ZINC000439242673 386284845 /nfs/dbraw/zinc/28/48/45/386284845.db2.gz AAOFEWQIMFWYRJ-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO FC1(F)CC12C[NH+](Cc1ccncc1Cl)C2 ZINC000628326486 386290048 /nfs/dbraw/zinc/29/00/48/386290048.db2.gz IXKQTMFGIVTMIQ-UHFFFAOYSA-N 1 2 244.672 2.576 20 0 BFADLO CC[C@@H](C)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000340588238 386290606 /nfs/dbraw/zinc/29/06/06/386290606.db2.gz JXEYBQKSVYBOFO-SECBINFHSA-N 1 2 232.331 2.749 20 0 BFADLO CC(C)CC1(C(=O)Nc2ccc(N)[nH+]c2)CCC1 ZINC000236666418 386297678 /nfs/dbraw/zinc/29/76/78/386297678.db2.gz MPLMDJNFZNOFRM-UHFFFAOYSA-N 1 2 247.342 2.819 20 0 BFADLO Cc1nonc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000265076757 386301481 /nfs/dbraw/zinc/30/14/81/386301481.db2.gz YQFLGVJQFNLROO-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nonc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000265076757 386301486 /nfs/dbraw/zinc/30/14/86/386301486.db2.gz YQFLGVJQFNLROO-LBPRGKRZSA-N 1 2 249.339 2.777 20 0 BFADLO CC/C=C(\C)C(=O)Nc1cc[nH+]cc1CC ZINC000265060377 386302289 /nfs/dbraw/zinc/30/22/89/386302289.db2.gz QSOUTZYSYMWHRT-UXBLZVDNSA-N 1 2 218.300 2.939 20 0 BFADLO CSc1ccc(N[C@H](C)c2[nH+]ccn2C)nc1 ZINC000347264730 386310230 /nfs/dbraw/zinc/31/02/30/386310230.db2.gz WFFXOOOWVAJVII-SECBINFHSA-N 1 2 248.355 2.710 20 0 BFADLO C[N@H+](Cc1csc(Cl)n1)[C@@H]1CCSC1 ZINC000289487929 386317105 /nfs/dbraw/zinc/31/71/05/386317105.db2.gz CHMLLKPANPGFRP-MRVPVSSYSA-N 1 2 248.804 2.734 20 0 BFADLO C[N@@H+](Cc1csc(Cl)n1)[C@@H]1CCSC1 ZINC000289487929 386317109 /nfs/dbraw/zinc/31/71/09/386317109.db2.gz CHMLLKPANPGFRP-MRVPVSSYSA-N 1 2 248.804 2.734 20 0 BFADLO c1ccc(NCCc2ccc3c(c2)CCO3)[nH+]c1 ZINC000265218610 386319673 /nfs/dbraw/zinc/31/96/73/386319673.db2.gz NDKYWZISGVQLAT-UHFFFAOYSA-N 1 2 240.306 2.671 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1CNc1ccn(C)n1 ZINC000297544522 386264576 /nfs/dbraw/zinc/26/45/76/386264576.db2.gz FGQNTYFYIYPZHA-UHFFFAOYSA-N 1 2 244.342 2.859 20 0 BFADLO CSCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000340577136 386268460 /nfs/dbraw/zinc/26/84/60/386268460.db2.gz BXFBDPKEJFLYDQ-UHFFFAOYSA-N 1 2 249.339 2.563 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCC(C)(F)F ZINC000297636493 386269190 /nfs/dbraw/zinc/26/91/90/386269190.db2.gz CSJTWLUBPNTVBQ-UHFFFAOYSA-N 1 2 243.257 2.557 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC1(C(C)C)CC1 ZINC000297731458 386276782 /nfs/dbraw/zinc/27/67/82/386276782.db2.gz KJUQVNBAVKLJTI-UHFFFAOYSA-N 1 2 233.315 2.700 20 0 BFADLO C[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)C(C)(C)C ZINC000297770732 386279411 /nfs/dbraw/zinc/27/94/11/386279411.db2.gz MVCXIXKZAKNAKE-JTQLQIEISA-N 1 2 245.326 2.955 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000347346891 386340685 /nfs/dbraw/zinc/34/06/85/386340685.db2.gz FWPIVALBSMGMTF-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000347346891 386340690 /nfs/dbraw/zinc/34/06/90/386340690.db2.gz FWPIVALBSMGMTF-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO O=C(CCC1CCC1)Nc1ccn2cc[nH+]c2c1 ZINC000339298661 386359509 /nfs/dbraw/zinc/35/95/09/386359509.db2.gz QYVVQGFLGUTQCT-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO FC1=CCC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000336224520 386359855 /nfs/dbraw/zinc/35/98/55/386359855.db2.gz JJYAQIBREPZIET-UHFFFAOYSA-N 1 2 232.258 2.887 20 0 BFADLO FC1=CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000336224520 386359866 /nfs/dbraw/zinc/35/98/66/386359866.db2.gz JJYAQIBREPZIET-UHFFFAOYSA-N 1 2 232.258 2.887 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)o1 ZINC000289830762 386362727 /nfs/dbraw/zinc/36/27/27/386362727.db2.gz OQZNSMPMXNQQKN-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)o1 ZINC000289830762 386362736 /nfs/dbraw/zinc/36/27/36/386362736.db2.gz OQZNSMPMXNQQKN-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccco1 ZINC000289829915 386363022 /nfs/dbraw/zinc/36/30/22/386363022.db2.gz PIHPNKRRMWKXLN-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO CC(C)[C@@H](NC(=O)CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000276684680 386364576 /nfs/dbraw/zinc/36/45/76/386364576.db2.gz WPRBPOJGCLIQFS-LLVKDONJSA-N 1 2 237.347 2.659 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000347383104 386373773 /nfs/dbraw/zinc/37/37/73/386373773.db2.gz NURMLZUWMOQSFG-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000347383104 386373779 /nfs/dbraw/zinc/37/37/79/386373779.db2.gz NURMLZUWMOQSFG-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccs2)no1 ZINC000298736199 386378484 /nfs/dbraw/zinc/37/84/84/386378484.db2.gz QDNYQTGYEPGIDB-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccs2)no1 ZINC000298736199 386378491 /nfs/dbraw/zinc/37/84/91/386378491.db2.gz QDNYQTGYEPGIDB-SNVBAGLBSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccs2)nn1C ZINC000336675509 386325977 /nfs/dbraw/zinc/32/59/77/386325977.db2.gz ADSOKIYPPNNTPR-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccs2)nn1C ZINC000336675509 386325982 /nfs/dbraw/zinc/32/59/82/386325982.db2.gz ADSOKIYPPNNTPR-LLVKDONJSA-N 1 2 249.383 2.983 20 0 BFADLO CC(C)(C)CC(C)(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276497803 386334437 /nfs/dbraw/zinc/33/44/37/386334437.db2.gz HHGKUDWQOWIJAH-VOTSOKGWSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1ccon1 ZINC000265410137 386335954 /nfs/dbraw/zinc/33/59/54/386335954.db2.gz DPOYYKBEIUGJKR-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1ccon1 ZINC000265410137 386335962 /nfs/dbraw/zinc/33/59/62/386335962.db2.gz DPOYYKBEIUGJKR-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO COc1cc(C)c(NCc2c[nH+]cn2C)cc1C ZINC000277474723 386437441 /nfs/dbraw/zinc/43/74/41/386437441.db2.gz BAHHNSJSUKHKPJ-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000266502530 386443952 /nfs/dbraw/zinc/44/39/52/386443952.db2.gz AVNVLYZWPAJCJE-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(F)c2)o1 ZINC000266502530 386443955 /nfs/dbraw/zinc/44/39/55/386443955.db2.gz AVNVLYZWPAJCJE-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2C)o1 ZINC000298843467 386391777 /nfs/dbraw/zinc/39/17/77/386391777.db2.gz IGIZQSSSYGANIB-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2C)o1 ZINC000298843467 386391781 /nfs/dbraw/zinc/39/17/81/386391781.db2.gz IGIZQSSSYGANIB-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@H](C)CO ZINC000226802602 386396509 /nfs/dbraw/zinc/39/65/09/386396509.db2.gz CVIXOSMXNGHUBG-HTQZYQBOSA-N 1 2 248.248 2.529 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccco2)c(C)s1 ZINC000336701131 386401706 /nfs/dbraw/zinc/40/17/06/386401706.db2.gz LVUJOFFGMQPVCY-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccco2)c(C)s1 ZINC000336701131 386401711 /nfs/dbraw/zinc/40/17/11/386401711.db2.gz LVUJOFFGMQPVCY-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)no1)c1c(C)noc1C ZINC000182454536 386404025 /nfs/dbraw/zinc/40/40/25/386404025.db2.gz SMKZKPJAAYQLPS-LBPRGKRZSA-N 1 2 249.314 2.829 20 0 BFADLO Cc1nc(N(C)[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000266167463 386405474 /nfs/dbraw/zinc/40/54/74/386405474.db2.gz YIIUQDDORAICQJ-AWEZNQCLSA-N 1 2 239.322 2.909 20 0 BFADLO CO[C@@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000266154215 386406357 /nfs/dbraw/zinc/40/63/57/386406357.db2.gz LLLXLZSECXWUMH-ZDUSSCGKSA-N 1 2 243.310 2.585 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1F ZINC000164948729 386427574 /nfs/dbraw/zinc/42/75/74/386427574.db2.gz CSFPTIBRTFIRLK-AWEZNQCLSA-N 1 2 247.317 2.800 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCS[C@@H]2C)[nH+]1 ZINC000645401862 386428003 /nfs/dbraw/zinc/42/80/03/386428003.db2.gz MUJSUWKVVKAIST-GMSGAONNSA-N 1 2 248.355 2.572 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccncc1F ZINC000340354213 386467656 /nfs/dbraw/zinc/46/76/56/386467656.db2.gz KICXCNYGFVEUIL-BDAKNGLRSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(F)c(F)c1 ZINC000093326672 386478046 /nfs/dbraw/zinc/47/80/46/386478046.db2.gz IYECFEGBVCNZHX-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CO1 ZINC000335430061 386486253 /nfs/dbraw/zinc/48/62/53/386486253.db2.gz SGIGNKWLQROALP-JOYOIKCWSA-N 1 2 246.285 2.963 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cocn1 ZINC000278211364 386499849 /nfs/dbraw/zinc/49/98/49/386499849.db2.gz RFYYUSFTQQBNKM-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cocn1 ZINC000278211364 386499857 /nfs/dbraw/zinc/49/98/57/386499857.db2.gz RFYYUSFTQQBNKM-VIFPVBQESA-N 1 2 234.324 2.855 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)CC1CCCC1 ZINC000267134868 386501405 /nfs/dbraw/zinc/50/14/05/386501405.db2.gz WRUUIHNEGJAPSK-SNVBAGLBSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1cccc(OCc2c[nH+]cn2C)c1C ZINC000227777849 386514724 /nfs/dbraw/zinc/51/47/24/386514724.db2.gz XIFUIRHUZMDBBC-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@@H](CC3CC3)C2)no1 ZINC000339676639 386515887 /nfs/dbraw/zinc/51/58/87/386515887.db2.gz XHSXHBRMPBBJAF-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@@H](CC3CC3)C2)no1 ZINC000339676639 386515892 /nfs/dbraw/zinc/51/58/92/386515892.db2.gz XHSXHBRMPBBJAF-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCC1(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000267275357 386522176 /nfs/dbraw/zinc/52/21/76/386522176.db2.gz TZPCZUSWYXTYAP-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCCSC2)c1 ZINC000134823143 386459762 /nfs/dbraw/zinc/45/97/62/386459762.db2.gz ZGWQIJJFVLUOTA-JTQLQIEISA-N 1 2 208.330 2.698 20 0 BFADLO CO[C@H](CNc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000266753377 386464414 /nfs/dbraw/zinc/46/44/14/386464414.db2.gz TVMAJUYBXRMPSU-LLVKDONJSA-N 1 2 249.358 2.827 20 0 BFADLO COc1cc(C)[nH+]c(COc2ccc(C)cn2)c1 ZINC000339745590 386577826 /nfs/dbraw/zinc/57/78/26/386577826.db2.gz XFWYAMKZOUHBMJ-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO Clc1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000289959421 386584248 /nfs/dbraw/zinc/58/42/48/386584248.db2.gz IKLFQDVERBMFIX-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Clc1nc(C[N@H+]2CCCSCC2)cs1 ZINC000289959421 386584255 /nfs/dbraw/zinc/58/42/55/386584255.db2.gz IKLFQDVERBMFIX-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Cc1cc(N[C@H](c2cccnc2)C2CC2)nc[nH+]1 ZINC000519717460 386533460 /nfs/dbraw/zinc/53/34/60/386533460.db2.gz VGSLADHWKRSGMP-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO CCc1ccccc1CNc1nc(C)[nH+]cc1C ZINC000519700823 386536131 /nfs/dbraw/zinc/53/61/31/386536131.db2.gz GUZVUSWMJVPIOS-UHFFFAOYSA-N 1 2 241.338 2.690 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000291453327 386548192 /nfs/dbraw/zinc/54/81/92/386548192.db2.gz CRAAPVCVRMHXHG-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000291453327 386548199 /nfs/dbraw/zinc/54/81/99/386548199.db2.gz CRAAPVCVRMHXHG-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000336926866 386553797 /nfs/dbraw/zinc/55/37/97/386553797.db2.gz MHKIQMAYDCFBAP-CABZTGNLSA-N 1 2 231.343 2.685 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(F)(F)F ZINC000336756551 386570102 /nfs/dbraw/zinc/57/01/02/386570102.db2.gz YOUAFDOTLDMLRU-BBBLOLIVSA-N 1 2 239.281 2.730 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000335410459 386574002 /nfs/dbraw/zinc/57/40/02/386574002.db2.gz SXRZRAKGYAJEQV-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000335410459 386574007 /nfs/dbraw/zinc/57/40/07/386574007.db2.gz SXRZRAKGYAJEQV-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO C[C@H]1CC[C@H](C)N1c1[nH+]c2ccccc2n1C ZINC000179220008 386619608 /nfs/dbraw/zinc/61/96/08/386619608.db2.gz NCRBKTXAPXMMET-QWRGUYRKSA-N 1 2 229.327 2.951 20 0 BFADLO CCc1ccc(NC(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279108966 386633408 /nfs/dbraw/zinc/63/34/08/386633408.db2.gz BSBWKOLREXJOHQ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nonc1C[NH2+]C(C)(C)c1ccccc1F ZINC000292243516 386639014 /nfs/dbraw/zinc/63/90/14/386639014.db2.gz XAASFYQPNSNMHC-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)[nH]1 ZINC000292250429 386640078 /nfs/dbraw/zinc/64/00/78/386640078.db2.gz UOOFLEDVCRILCK-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)[nH]1 ZINC000292250429 386640084 /nfs/dbraw/zinc/64/00/84/386640084.db2.gz UOOFLEDVCRILCK-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)[nH]1 ZINC000292250433 386641484 /nfs/dbraw/zinc/64/14/84/386641484.db2.gz UOOFLEDVCRILCK-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)[nH]1 ZINC000292250433 386641489 /nfs/dbraw/zinc/64/14/89/386641489.db2.gz UOOFLEDVCRILCK-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ccc(NC(=O)CC(F)(F)F)c(C)[nH+]1 ZINC000268029819 386609339 /nfs/dbraw/zinc/60/93/39/386609339.db2.gz XFEDIFPAXFUZTH-UHFFFAOYSA-N 1 2 232.205 2.589 20 0 BFADLO Cc1ccc(C)c([N@H+](C)CC[C@H]2CCOC2=O)c1 ZINC000268033293 386611349 /nfs/dbraw/zinc/61/13/49/386611349.db2.gz ZJJNFNNWDYJKHT-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)CC[C@H]2CCOC2=O)c1 ZINC000268033293 386611356 /nfs/dbraw/zinc/61/13/56/386611356.db2.gz ZJJNFNNWDYJKHT-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000268044039 386614304 /nfs/dbraw/zinc/61/43/04/386614304.db2.gz VLUUYUSZWHCNBM-NSHDSACASA-N 1 2 233.315 2.618 20 0 BFADLO CCn1c[nH+]cc1CN(C)Cc1ccccc1F ZINC000417740626 386615351 /nfs/dbraw/zinc/61/53/51/386615351.db2.gz HSPWAYAVEFQOIC-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cncn1C(C)C ZINC000425328006 386662739 /nfs/dbraw/zinc/66/27/39/386662739.db2.gz QNNRZEDUHZDMAT-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cncn1C(C)C ZINC000425328006 386662742 /nfs/dbraw/zinc/66/27/42/386662742.db2.gz QNNRZEDUHZDMAT-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CC(C)N(Cc1c[nH+]cn1C(C)C)CC(F)F ZINC000425331226 386666472 /nfs/dbraw/zinc/66/64/72/386666472.db2.gz CAZPFOLANMUVJB-UHFFFAOYSA-N 1 2 245.317 2.940 20 0 BFADLO CSc1ccc(C[NH2+]CC(F)F)s1 ZINC000336647707 386667707 /nfs/dbraw/zinc/66/77/07/386667707.db2.gz FGVVLIGJBJDXSM-UHFFFAOYSA-N 1 2 223.313 2.825 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC1CCC1 ZINC000335527646 386672563 /nfs/dbraw/zinc/67/25/63/386672563.db2.gz JAQKSQBKGMQJMA-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000050499400 386673022 /nfs/dbraw/zinc/67/30/22/386673022.db2.gz PALKZHFWSIRXLN-YPMHNXCESA-N 1 2 235.327 2.535 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000335527957 386673956 /nfs/dbraw/zinc/67/39/56/386673956.db2.gz MNMUZQAGHBRTJL-VXGBXAGGSA-N 1 2 232.327 2.929 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCC1(C)CC1 ZINC000279388677 386676728 /nfs/dbraw/zinc/67/67/28/386676728.db2.gz IQPURSYAQWCJMH-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO CC[C@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000192851531 386681979 /nfs/dbraw/zinc/68/19/79/386681979.db2.gz KMUHXMBHUIYKTL-OCCSQVGLSA-N 1 2 249.354 2.640 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCC1CC1 ZINC000425583777 386656629 /nfs/dbraw/zinc/65/66/29/386656629.db2.gz BQNPXNHAOLRJPM-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO COCc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000337234389 386682966 /nfs/dbraw/zinc/68/29/66/386682966.db2.gz AKRGBMMUMHWKMM-UHFFFAOYSA-N 1 2 241.281 2.720 20 0 BFADLO c1cnn(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000042541797 386685463 /nfs/dbraw/zinc/68/54/63/386685463.db2.gz KNXMOMDBLJZZMK-UHFFFAOYSA-N 1 2 238.294 2.543 20 0 BFADLO Cc1csc(Sc2[nH+]cnc3[nH]ccc32)n1 ZINC000357026716 386694004 /nfs/dbraw/zinc/69/40/04/386694004.db2.gz FYDUHXSFYHCQCC-UHFFFAOYSA-N 1 2 248.336 2.874 20 0 BFADLO Cc1cnc(CC[N@@H+]2CCC=C(F)C2)c(C)c1 ZINC000335477524 386703028 /nfs/dbraw/zinc/70/30/28/386703028.db2.gz PCBUXZFCQAOFAA-UHFFFAOYSA-N 1 2 234.318 2.800 20 0 BFADLO Cc1cnc(CC[N@H+]2CCC=C(F)C2)c(C)c1 ZINC000335477524 386703031 /nfs/dbraw/zinc/70/30/31/386703031.db2.gz PCBUXZFCQAOFAA-UHFFFAOYSA-N 1 2 234.318 2.800 20 0 BFADLO O=C(CC1CC1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000520618406 386707891 /nfs/dbraw/zinc/70/78/91/386707891.db2.gz VSTKQEZPXGPSLT-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000190860480 386734605 /nfs/dbraw/zinc/73/46/05/386734605.db2.gz SCQSJCAWEJRKRR-UHFFFAOYSA-N 1 2 249.354 2.735 20 0 BFADLO CCC(CC)c1cc(C[NH2+]Cc2cn[nH]c2)on1 ZINC000608062161 386734644 /nfs/dbraw/zinc/73/46/44/386734644.db2.gz XWOFBDPDJMPWRN-UHFFFAOYSA-N 1 2 248.330 2.591 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccccc2C)no1 ZINC000247931439 386738520 /nfs/dbraw/zinc/73/85/20/386738520.db2.gz QQAHACABIGZSDS-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccccc2C)no1 ZINC000247931439 386738523 /nfs/dbraw/zinc/73/85/23/386738523.db2.gz QQAHACABIGZSDS-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2conc2C)o1 ZINC000292857699 386740052 /nfs/dbraw/zinc/74/00/52/386740052.db2.gz CHTCATUYIWPSJV-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO CC(C)[C@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357131395 386724018 /nfs/dbraw/zinc/72/40/18/386724018.db2.gz JWYKGMCOQMMTNC-VXGBXAGGSA-N 1 2 249.358 2.755 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2cccc(C)c2C)n1 ZINC000268945939 386725757 /nfs/dbraw/zinc/72/57/57/386725757.db2.gz WQDJMHWDFMWSLU-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CC1=C(C)C[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000335539581 386747507 /nfs/dbraw/zinc/74/75/07/386747507.db2.gz QGSSOQLRCXQOMI-GFCCVEGCSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cocn2)c(C)o1 ZINC000192299670 386755734 /nfs/dbraw/zinc/75/57/34/386755734.db2.gz SQOXLGGBUCUCAC-VIFPVBQESA-N 1 2 220.272 2.735 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000292969502 386757073 /nfs/dbraw/zinc/75/70/73/386757073.db2.gz GJRDCGAGPBJNFS-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC000292969502 386757081 /nfs/dbraw/zinc/75/70/81/386757081.db2.gz GJRDCGAGPBJNFS-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO Cn1c[nH+]cc1CSCCC(F)(F)F ZINC000279960009 386759395 /nfs/dbraw/zinc/75/93/95/386759395.db2.gz NWOIEUCNWNCESR-UHFFFAOYSA-N 1 2 224.251 2.606 20 0 BFADLO Cc1cc(NCCC(C)C)nc(C2CC2)[nH+]1 ZINC000336663808 386761781 /nfs/dbraw/zinc/76/17/81/386761781.db2.gz KZFLNSWCHFGGQC-UHFFFAOYSA-N 1 2 219.332 2.542 20 0 BFADLO CC[C@@H]([NH2+]Cc1cocn1)c1c(C)noc1C ZINC000192337298 386763772 /nfs/dbraw/zinc/76/37/72/386763772.db2.gz RRUIDOLHLLGDSC-LLVKDONJSA-N 1 2 235.287 2.520 20 0 BFADLO Cc1nc(C(=O)Nc2ccc(C)[nH+]c2C)c(C)o1 ZINC000293032510 386768086 /nfs/dbraw/zinc/76/80/86/386768086.db2.gz NRORZZAUCZXKOF-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO FC(F)(F)CCSCCCn1cc[nH+]c1 ZINC000279830236 386741808 /nfs/dbraw/zinc/74/18/08/386741808.db2.gz BZTSNZKREBCZAY-UHFFFAOYSA-N 1 2 238.278 2.959 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)no1 ZINC000114494252 386790423 /nfs/dbraw/zinc/79/04/23/386790423.db2.gz HUJYOQMRLSTNCL-AWEZNQCLSA-N 1 2 247.342 2.700 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)no1 ZINC000114494252 386790426 /nfs/dbraw/zinc/79/04/26/386790426.db2.gz HUJYOQMRLSTNCL-AWEZNQCLSA-N 1 2 247.342 2.700 20 0 BFADLO CCC[C@H](c1nc(C[NH2+]C)no1)c1ccccc1 ZINC000414507298 386792777 /nfs/dbraw/zinc/79/27/77/386792777.db2.gz YPLZCUMCAJQVJY-LBPRGKRZSA-N 1 2 245.326 2.721 20 0 BFADLO CSc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1 ZINC000114461128 386771857 /nfs/dbraw/zinc/77/18/57/386771857.db2.gz ILJWTRHIACTQHK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1 ZINC000114461128 386771865 /nfs/dbraw/zinc/77/18/65/386771865.db2.gz ILJWTRHIACTQHK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCF)o1 ZINC000269321178 386779330 /nfs/dbraw/zinc/77/93/30/386779330.db2.gz FDQPDJVNQCIEFF-GXSJLCMTSA-N 1 2 211.280 2.804 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCF)o1 ZINC000269321178 386779337 /nfs/dbraw/zinc/77/93/37/386779337.db2.gz FDQPDJVNQCIEFF-GXSJLCMTSA-N 1 2 211.280 2.804 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cn1 ZINC000352864763 386781089 /nfs/dbraw/zinc/78/10/89/386781089.db2.gz BFEYHJGEXBKIKH-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CSCC[C@@H](C)N(C)c1cccc[nH+]1 ZINC000269352838 386781587 /nfs/dbraw/zinc/78/15/87/386781587.db2.gz NIIPHAULXVYNSI-SNVBAGLBSA-N 1 2 210.346 2.659 20 0 BFADLO CCN(Cc1c[nH+]cn1CC)c1ccccc1 ZINC000417992244 386800869 /nfs/dbraw/zinc/80/08/69/386800869.db2.gz WGZRKTKDNDCDTH-UHFFFAOYSA-N 1 2 229.327 2.930 20 0 BFADLO F[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000340985254 386810135 /nfs/dbraw/zinc/81/01/35/386810135.db2.gz YLGWEHLMNHRBOG-RYUDHWBXSA-N 1 2 230.286 2.959 20 0 BFADLO Cc1c[nH+]c(CNCc2cccc(Cl)c2)n1C ZINC000341013539 386816025 /nfs/dbraw/zinc/81/60/25/386816025.db2.gz PHXCZPGYYWDSNY-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO CC[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@@H](C)O ZINC000395408584 386828731 /nfs/dbraw/zinc/82/87/31/386828731.db2.gz FRORSVUCIVJYMF-VXNVDRBHSA-N 1 2 248.248 2.672 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000293542497 386831271 /nfs/dbraw/zinc/83/12/71/386831271.db2.gz KJKOPMFGNYIZJS-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1ccc(F)cc1Cl ZINC000293542497 386831273 /nfs/dbraw/zinc/83/12/73/386831273.db2.gz KJKOPMFGNYIZJS-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO CCN(CCc1ccccc1)c1cc(C)[nH+]cn1 ZINC000301270553 386831432 /nfs/dbraw/zinc/83/14/32/386831432.db2.gz XRFBIHRTSQRKGR-UHFFFAOYSA-N 1 2 241.338 2.854 20 0 BFADLO CCO[C@@H]1C[C@H](Nc2cc(C)[nH+]cn2)C12CCC2 ZINC000301422193 386844019 /nfs/dbraw/zinc/84/40/19/386844019.db2.gz NYKFBVAVKNROJI-NWDGAFQWSA-N 1 2 247.342 2.545 20 0 BFADLO CCOc1cccc(NCc2[nH+]cc(C)n2C)c1 ZINC000341147383 386847814 /nfs/dbraw/zinc/84/78/14/386847814.db2.gz LYSXVUNEUOQRGZ-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO COCC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301495850 386848036 /nfs/dbraw/zinc/84/80/36/386848036.db2.gz AVEKOJGHQGOZBU-JTQLQIEISA-N 1 2 237.347 2.611 20 0 BFADLO CC(C)=CCCNc1cc[nH+]c2ccncc12 ZINC000357851486 386857157 /nfs/dbraw/zinc/85/71/57/386857157.db2.gz BAZTWRPATMEWDJ-UHFFFAOYSA-N 1 2 227.311 2.820 20 0 BFADLO Cc1cc(C)c(NC(=O)NCCC2CC2)c(C)[nH+]1 ZINC000331496055 386863583 /nfs/dbraw/zinc/86/35/83/386863583.db2.gz JZBJTVCCVVJCNW-UHFFFAOYSA-N 1 2 247.342 2.928 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)no1 ZINC000425349189 386866187 /nfs/dbraw/zinc/86/61/87/386866187.db2.gz GEXXTPBNTKABJO-KBPBESRZSA-N 1 2 246.285 2.710 20 0 BFADLO CCC1(CC)[C@H](Nc2cc(C)[nH+]cn2)C[C@@H]1OC ZINC000301699597 386870625 /nfs/dbraw/zinc/87/06/25/386870625.db2.gz FBWJGVLOCHKQEQ-NEPJUHHUSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1c[nH+]c(CNc2cc(F)ccc2C)n1C ZINC000341284511 386877512 /nfs/dbraw/zinc/87/75/12/386877512.db2.gz OKWKWSUNSPHBQW-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO CC(C)[C@H](C)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456366065 386884538 /nfs/dbraw/zinc/88/45/38/386884538.db2.gz GSGUNMDTBQYRSC-UTUOFQBUSA-N 1 2 249.358 2.687 20 0 BFADLO CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](C)O1 ZINC000301900409 386889370 /nfs/dbraw/zinc/88/93/70/386889370.db2.gz ZCFSYZYGNLBJEB-MNOVXSKESA-N 1 2 245.326 2.567 20 0 BFADLO Cc1cc(N2Cc3ccccc3[C@H]2C)nc[nH+]1 ZINC000335763226 386903329 /nfs/dbraw/zinc/90/33/29/386903329.db2.gz JVPSACQYCVMFOQ-LLVKDONJSA-N 1 2 225.295 2.866 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000335769596 386913132 /nfs/dbraw/zinc/91/31/32/386913132.db2.gz AXCXLAQSHJNVNJ-CQSZACIVSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000335769596 386913138 /nfs/dbraw/zinc/91/31/38/386913138.db2.gz AXCXLAQSHJNVNJ-CQSZACIVSA-N 1 2 227.311 2.665 20 0 BFADLO CC(C)CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302808902 386939162 /nfs/dbraw/zinc/93/91/62/386939162.db2.gz YBUZCGWSMWSXHL-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CC(C)CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302808902 386939172 /nfs/dbraw/zinc/93/91/72/386939172.db2.gz YBUZCGWSMWSXHL-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO c1ccc(C2(CNc3cccc[nH+]3)CC2)nc1 ZINC000302865986 386941395 /nfs/dbraw/zinc/94/13/95/386941395.db2.gz UWMGXCOXJMKHLL-UHFFFAOYSA-N 1 2 225.295 2.620 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1ccccc1C ZINC000334816535 386942209 /nfs/dbraw/zinc/94/22/09/386942209.db2.gz HGDXCKSUMIDAJL-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456433396 386956869 /nfs/dbraw/zinc/95/68/69/386956869.db2.gz UETWXNXGAVPXKJ-WHOHXGKFSA-N 1 2 249.358 2.687 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456433395 386957490 /nfs/dbraw/zinc/95/74/90/386957490.db2.gz UETWXNXGAVPXKJ-USZNOCQGSA-N 1 2 249.358 2.687 20 0 BFADLO FCCCCC[N@H+](CC(F)F)C1CC1 ZINC000341878110 386982516 /nfs/dbraw/zinc/98/25/16/386982516.db2.gz SGTFPMZYZOJMOW-UHFFFAOYSA-N 1 2 209.255 2.856 20 0 BFADLO FCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000341878110 386982518 /nfs/dbraw/zinc/98/25/18/386982518.db2.gz SGTFPMZYZOJMOW-UHFFFAOYSA-N 1 2 209.255 2.856 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC[C@H]1CCCO1 ZINC000331237370 386996932 /nfs/dbraw/zinc/99/69/32/386996932.db2.gz HKLYHNYNVVLWLB-GFCCVEGCSA-N 1 2 248.326 2.596 20 0 BFADLO CC[C@H](F)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000331315958 387001678 /nfs/dbraw/zinc/00/16/78/387001678.db2.gz XZIQPFSYIMYDEL-IUCAKERBSA-N 1 2 243.326 2.766 20 0 BFADLO C[C@H](Nc1ccc(F)cc1)c1[nH+]ccn1C ZINC000070007318 387044011 /nfs/dbraw/zinc/04/40/11/387044011.db2.gz DYZPKRSIAILUBS-VIFPVBQESA-N 1 2 219.263 2.732 20 0 BFADLO c1coc([C@@H]2COCC[N@H+]2Cc2ccccc2)c1 ZINC000369469745 387048326 /nfs/dbraw/zinc/04/83/26/387048326.db2.gz LOFWPMPPJQKNBL-AWEZNQCLSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc([C@@H]2COCC[N@@H+]2Cc2ccccc2)c1 ZINC000369469745 387048328 /nfs/dbraw/zinc/04/83/28/387048328.db2.gz LOFWPMPPJQKNBL-AWEZNQCLSA-N 1 2 243.306 2.853 20 0 BFADLO CC[C@@H](CC1CCCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000359142774 387060004 /nfs/dbraw/zinc/06/00/04/387060004.db2.gz ZZUBCDKTXQESDE-LBPRGKRZSA-N 1 2 249.358 2.632 20 0 BFADLO CC[C@@H](CC1CCCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000359142774 387060010 /nfs/dbraw/zinc/06/00/10/387060010.db2.gz ZZUBCDKTXQESDE-LBPRGKRZSA-N 1 2 249.358 2.632 20 0 BFADLO Fc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1F ZINC000336222854 387061445 /nfs/dbraw/zinc/06/14/45/387061445.db2.gz PILXHVPZQOLKQD-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1F ZINC000336222854 387061451 /nfs/dbraw/zinc/06/14/51/387061451.db2.gz PILXHVPZQOLKQD-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO F[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000336223296 387063908 /nfs/dbraw/zinc/06/39/08/387063908.db2.gz SHVBAAZPWWNUGY-LBPRGKRZSA-N 1 2 245.301 2.621 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000336223296 387063912 /nfs/dbraw/zinc/06/39/12/387063912.db2.gz SHVBAAZPWWNUGY-LBPRGKRZSA-N 1 2 245.301 2.621 20 0 BFADLO C[C@@]1(CNc2cccc[nH+]2)CCO[C@@H]1C1CC1 ZINC000368765474 387009023 /nfs/dbraw/zinc/00/90/23/387009023.db2.gz PBOFBPQMOCIKJF-KGLIPLIRSA-N 1 2 232.327 2.699 20 0 BFADLO c1ccc(N2CCC(OC3CCC3)CC2)[nH+]c1 ZINC000334938190 387013917 /nfs/dbraw/zinc/01/39/17/387013917.db2.gz ADQUSQYUWISSOR-UHFFFAOYSA-N 1 2 232.327 2.620 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000368847012 387015954 /nfs/dbraw/zinc/01/59/54/387015954.db2.gz YGRGOCZMLTVKMZ-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000368847012 387015960 /nfs/dbraw/zinc/01/59/60/387015960.db2.gz YGRGOCZMLTVKMZ-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO COC(=O)CCC[N@@H+](c1ccccc1)C(C)C ZINC000117336346 387017607 /nfs/dbraw/zinc/01/76/07/387017607.db2.gz AYLJCGRXNBKOAC-UHFFFAOYSA-N 1 2 235.327 2.855 20 0 BFADLO COC(=O)CCC[N@H+](c1ccccc1)C(C)C ZINC000117336346 387017608 /nfs/dbraw/zinc/01/76/08/387017608.db2.gz AYLJCGRXNBKOAC-UHFFFAOYSA-N 1 2 235.327 2.855 20 0 BFADLO C/C=C(/C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000334991999 387082507 /nfs/dbraw/zinc/08/25/07/387082507.db2.gz GJZXUTSOPRGQOJ-WTKPLQERSA-N 1 2 229.283 2.787 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCC(C)(C)C2)nn1C ZINC000334994381 387084155 /nfs/dbraw/zinc/08/41/55/387084155.db2.gz NBZOVNQKVSNGCU-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCC(C)(C)C2)nn1C ZINC000334994381 387084158 /nfs/dbraw/zinc/08/41/58/387084158.db2.gz NBZOVNQKVSNGCU-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000359335115 387086427 /nfs/dbraw/zinc/08/64/27/387086427.db2.gz UFIWTFZAEZPTJP-CQSZACIVSA-N 1 2 244.342 2.600 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](c1cccnc1)C(C)C ZINC000359335111 387086585 /nfs/dbraw/zinc/08/65/85/387086585.db2.gz UFIWTFZAEZPTJP-AWEZNQCLSA-N 1 2 244.342 2.600 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000336266682 387099135 /nfs/dbraw/zinc/09/91/35/387099135.db2.gz BSIQSRXGFCNLFR-RKDXNWHRSA-N 1 2 225.361 2.502 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000336266682 387099137 /nfs/dbraw/zinc/09/91/37/387099137.db2.gz BSIQSRXGFCNLFR-RKDXNWHRSA-N 1 2 225.361 2.502 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336275502 387106569 /nfs/dbraw/zinc/10/65/69/387106569.db2.gz PVHOWESNHNTPTB-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000336275502 387106575 /nfs/dbraw/zinc/10/65/75/387106575.db2.gz PVHOWESNHNTPTB-CYBMUJFWSA-N 1 2 238.306 2.876 20 0 BFADLO Fc1ccc(OCC[N@H+]2CCC=C(F)C2)cc1 ZINC000359511777 387113118 /nfs/dbraw/zinc/11/31/18/387113118.db2.gz ACFNBVMMYSLFRY-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO Fc1ccc(OCC[N@@H+]2CCC=C(F)C2)cc1 ZINC000359511777 387113127 /nfs/dbraw/zinc/11/31/27/387113127.db2.gz ACFNBVMMYSLFRY-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccon2)C1 ZINC000334980643 387068128 /nfs/dbraw/zinc/06/81/28/387068128.db2.gz HLUVVJJZQAAFEX-BXUZGUMPSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccon2)C1 ZINC000334980643 387068133 /nfs/dbraw/zinc/06/81/33/387068133.db2.gz HLUVVJJZQAAFEX-BXUZGUMPSA-N 1 2 243.310 2.653 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000336315977 387141558 /nfs/dbraw/zinc/14/15/58/387141558.db2.gz XTUBARVKVZTRTN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@H]2c2cccnc2)n1 ZINC000336315977 387141564 /nfs/dbraw/zinc/14/15/64/387141564.db2.gz XTUBARVKVZTRTN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000336315974 387141701 /nfs/dbraw/zinc/14/17/01/387141701.db2.gz XTUBARVKVZTRTN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@@H]2c2cccnc2)n1 ZINC000336315974 387141703 /nfs/dbraw/zinc/14/17/03/387141703.db2.gz XTUBARVKVZTRTN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO C[C@@H]([NH2+]Cc1ccncc1)c1c(F)cncc1F ZINC000353143008 387145788 /nfs/dbraw/zinc/14/57/88/387145788.db2.gz SDSPCBWXWDKIKC-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CC(C)c1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000187001442 387150122 /nfs/dbraw/zinc/15/01/22/387150122.db2.gz FUMMUIDNXGRTAA-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC(C)c1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000187001442 387150131 /nfs/dbraw/zinc/15/01/31/387150131.db2.gz FUMMUIDNXGRTAA-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C(F)(F)F ZINC000648539940 387173841 /nfs/dbraw/zinc/17/38/41/387173841.db2.gz NKUDWBARYXJPNV-AEJSXWLSSA-N 1 2 239.281 2.875 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000571838413 387181143 /nfs/dbraw/zinc/18/11/43/387181143.db2.gz QZNRIJBHLPQWHQ-WCQYABFASA-N 1 2 245.326 2.618 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCC(C)C)c1ccccc1C ZINC000120405692 387185879 /nfs/dbraw/zinc/18/58/79/387185879.db2.gz OBRSOHHDBAPPSA-AWEZNQCLSA-N 1 2 249.354 2.845 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H](C3CC3)C2)no1 ZINC000371307798 387188412 /nfs/dbraw/zinc/18/84/12/387188412.db2.gz IGNBRKMUDDHETB-NSHDSACASA-N 1 2 249.358 2.599 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H](C3CC3)C2)no1 ZINC000371307798 387188415 /nfs/dbraw/zinc/18/84/15/387188415.db2.gz IGNBRKMUDDHETB-NSHDSACASA-N 1 2 249.358 2.599 20 0 BFADLO CC(C)(C)C1CC[NH+](Cc2csnn2)CC1 ZINC000336380688 387211837 /nfs/dbraw/zinc/21/18/37/387211837.db2.gz GPVOSHQVRPQRBT-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO Cc1cc(C)c(NC(=O)c2ccoc2)c(C)[nH+]1 ZINC000097040356 387233945 /nfs/dbraw/zinc/23/39/45/387233945.db2.gz PTDONVDDXXPLQE-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Cc1cc(C)c(NC(=O)CC(C)C)c(C)[nH+]1 ZINC000097039905 387234899 /nfs/dbraw/zinc/23/48/99/387234899.db2.gz XONZSVHHAXHWGV-UHFFFAOYSA-N 1 2 220.316 2.991 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)on1 ZINC000097040308 387235516 /nfs/dbraw/zinc/23/55/16/387235516.db2.gz VWNYJIGQLMXRPX-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC(C)(C)CO1 ZINC000639520695 387244318 /nfs/dbraw/zinc/24/43/18/387244318.db2.gz WCDTZFUGINCJJM-JTQLQIEISA-N 1 2 235.318 2.777 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC(C)(C)CO1 ZINC000639520695 387244322 /nfs/dbraw/zinc/24/43/22/387244322.db2.gz WCDTZFUGINCJJM-JTQLQIEISA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(C)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000359951957 387199311 /nfs/dbraw/zinc/19/93/11/387199311.db2.gz GTURHMUZASTMFT-UHFFFAOYSA-N 1 2 219.332 2.638 20 0 BFADLO CCc1cc(NCC(C2CC2)C2CC2)nc[nH+]1 ZINC000088460390 387199350 /nfs/dbraw/zinc/19/93/50/387199350.db2.gz OEYCNONWSOXOKP-UHFFFAOYSA-N 1 2 231.343 2.887 20 0 BFADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000571937410 387199777 /nfs/dbraw/zinc/19/97/77/387199777.db2.gz VRQQRASEEZFCGY-UHFFFAOYSA-N 1 2 249.358 2.773 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1ncccc1F ZINC000424726233 387260026 /nfs/dbraw/zinc/26/00/26/387260026.db2.gz UBIOKMCBEPBUHC-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(F)cc1F ZINC000120625399 387260596 /nfs/dbraw/zinc/26/05/96/387260596.db2.gz WZXDQVROZHNPKW-LBPRGKRZSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(F)cc1F ZINC000120625399 387260600 /nfs/dbraw/zinc/26/06/00/387260600.db2.gz WZXDQVROZHNPKW-LBPRGKRZSA-N 1 2 241.281 2.576 20 0 BFADLO CCC[C@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000354040587 387317928 /nfs/dbraw/zinc/31/79/28/387317928.db2.gz YPLYUGJRPNRVNX-JTQLQIEISA-N 1 2 219.332 2.979 20 0 BFADLO CCC[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000120859377 387279071 /nfs/dbraw/zinc/27/90/71/387279071.db2.gz DNFUVOITZUFGHL-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCC[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000120859377 387279074 /nfs/dbraw/zinc/27/90/74/387279074.db2.gz DNFUVOITZUFGHL-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000321753174 387301617 /nfs/dbraw/zinc/30/16/17/387301617.db2.gz BJGZDGMOZYBJQW-BGZDPUMWSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCC[C@H]1C ZINC000121186695 387306059 /nfs/dbraw/zinc/30/60/59/387306059.db2.gz HOTTYLPOXXBKQF-LLVKDONJSA-N 1 2 233.315 2.796 20 0 BFADLO CC[C@@H](CCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354325253 387360378 /nfs/dbraw/zinc/36/03/78/387360378.db2.gz UCRAYBQLCGVERK-LBPRGKRZSA-N 1 2 248.301 2.947 20 0 BFADLO COC[C@H]([NH2+]CCF)c1cccc(Cl)c1F ZINC000287092744 387370791 /nfs/dbraw/zinc/37/07/91/387370791.db2.gz PMUJMSXWOXRFPO-JTQLQIEISA-N 1 2 249.688 2.726 20 0 BFADLO CC[C@]1(C)C[N@@H+]([C@@H](C)c2ncc(C)o2)CCO1 ZINC000336497372 387323233 /nfs/dbraw/zinc/32/32/33/387323233.db2.gz IHRUYOFZLISYJX-WCQYABFASA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@]1(C)C[N@H+]([C@@H](C)c2ncc(C)o2)CCO1 ZINC000336497372 387323238 /nfs/dbraw/zinc/32/32/38/387323238.db2.gz IHRUYOFZLISYJX-WCQYABFASA-N 1 2 238.331 2.545 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2F)n1 ZINC000352590964 387343578 /nfs/dbraw/zinc/34/35/78/387343578.db2.gz PNIOFEZDPXBGBY-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)n1 ZINC000352587655 387343913 /nfs/dbraw/zinc/34/39/13/387343913.db2.gz CNIASKQZIDMOOE-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)s1 ZINC000336559489 387383490 /nfs/dbraw/zinc/38/34/90/387383490.db2.gz VRMFBBIMKWIZSW-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)s1 ZINC000336559489 387383495 /nfs/dbraw/zinc/38/34/95/387383495.db2.gz VRMFBBIMKWIZSW-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360763628 387348492 /nfs/dbraw/zinc/34/84/92/387348492.db2.gz ODENMZVMZUNTHM-UTUOFQBUSA-N 1 2 247.342 2.509 20 0 BFADLO C[C@@H]1CCC[C@@H]1CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000515856136 387431701 /nfs/dbraw/zinc/43/17/01/387431701.db2.gz OVVNXMPKPLSKGQ-GHMZBOCLSA-N 1 2 249.358 2.587 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000084102443 387434678 /nfs/dbraw/zinc/43/46/78/387434678.db2.gz RVXBWVPNEPGFLT-GXTWGEPZSA-N 1 2 249.354 2.987 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000361337360 387441379 /nfs/dbraw/zinc/44/13/79/387441379.db2.gz RBPVYZMVHWBANV-VXGBXAGGSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000361337360 387441382 /nfs/dbraw/zinc/44/13/82/387441382.db2.gz RBPVYZMVHWBANV-VXGBXAGGSA-N 1 2 249.345 2.761 20 0 BFADLO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000361153491 387405217 /nfs/dbraw/zinc/40/52/17/387405217.db2.gz JPOANFXICDGIFB-GFCCVEGCSA-N 1 2 243.734 2.934 20 0 BFADLO CC[C@]1(C)COCC[N@H+]1Cc1ccc(Cl)o1 ZINC000361153491 387405223 /nfs/dbraw/zinc/40/52/23/387405223.db2.gz JPOANFXICDGIFB-GFCCVEGCSA-N 1 2 243.734 2.934 20 0 BFADLO Cc1nc(N(C)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000361149168 387405928 /nfs/dbraw/zinc/40/59/28/387405928.db2.gz IUOUAIBPZUWYEP-NSHDSACASA-N 1 2 227.311 2.982 20 0 BFADLO C[C@H](CC(F)(F)F)Nc1cc[nH+]c(C2CC2)n1 ZINC000361757672 387530796 /nfs/dbraw/zinc/53/07/96/387530796.db2.gz SNIMMYOIMCFJHF-SSDOTTSWSA-N 1 2 245.248 2.529 20 0 BFADLO CCOCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000355392052 387531417 /nfs/dbraw/zinc/53/14/17/387531417.db2.gz SAIAULNKRLEULP-UHFFFAOYSA-N 1 2 231.299 2.558 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cnccc2C)o1 ZINC000361434345 387462673 /nfs/dbraw/zinc/46/26/73/387462673.db2.gz MONMUDHWBOODOJ-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cnccc2C)o1 ZINC000361434345 387462674 /nfs/dbraw/zinc/46/26/74/387462674.db2.gz MONMUDHWBOODOJ-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)[C@@H]1CCC(C)(C)C1 ZINC000361471332 387467545 /nfs/dbraw/zinc/46/75/45/387467545.db2.gz ZDFVROQXTMDGKH-LLVKDONJSA-N 1 2 249.358 2.958 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1CCC(C)(C)C1 ZINC000361471332 387467549 /nfs/dbraw/zinc/46/75/49/387467549.db2.gz ZDFVROQXTMDGKH-LLVKDONJSA-N 1 2 249.358 2.958 20 0 BFADLO Cn1cccc1C[N@H+](CC(F)F)CC1CCC1 ZINC000355094855 387479336 /nfs/dbraw/zinc/47/93/36/387479336.db2.gz AUOBVOGHMVBJJF-UHFFFAOYSA-N 1 2 242.313 2.892 20 0 BFADLO Cn1cccc1C[N@@H+](CC(F)F)CC1CCC1 ZINC000355094855 387479341 /nfs/dbraw/zinc/47/93/41/387479341.db2.gz AUOBVOGHMVBJJF-UHFFFAOYSA-N 1 2 242.313 2.892 20 0 BFADLO COCc1cnc(C[N@H+](C)[C@@H]2CC2(C)C)s1 ZINC000426546106 387581527 /nfs/dbraw/zinc/58/15/27/387581527.db2.gz UWIOIBRHNCUJIQ-SNVBAGLBSA-N 1 2 240.372 2.520 20 0 BFADLO COCc1cnc(C[N@@H+](C)[C@@H]2CC2(C)C)s1 ZINC000426546106 387581530 /nfs/dbraw/zinc/58/15/30/387581530.db2.gz UWIOIBRHNCUJIQ-SNVBAGLBSA-N 1 2 240.372 2.520 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000355981093 387601304 /nfs/dbraw/zinc/60/13/04/387601304.db2.gz DACANIQMBMYLIX-GXTWGEPZSA-N 1 2 246.354 2.967 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000430264969 387602106 /nfs/dbraw/zinc/60/21/06/387602106.db2.gz CPAFYLDWJPGGHG-NSHDSACASA-N 1 2 249.358 2.666 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000430264969 387602112 /nfs/dbraw/zinc/60/21/12/387602112.db2.gz CPAFYLDWJPGGHG-NSHDSACASA-N 1 2 249.358 2.666 20 0 BFADLO Fc1ccc(F)c(COc2cc[nH+]cc2)c1 ZINC000356097674 387613179 /nfs/dbraw/zinc/61/31/79/387613179.db2.gz PESXXFKCGQABSN-UHFFFAOYSA-N 1 2 221.206 2.939 20 0 BFADLO Cc1ccc(CC[N@@H+](C)CC(F)F)cc1 ZINC000124518260 387621541 /nfs/dbraw/zinc/62/15/41/387621541.db2.gz HCCIXJRWSUDWCD-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO Cc1ccc(CC[N@H+](C)CC(F)F)cc1 ZINC000124518260 387621548 /nfs/dbraw/zinc/62/15/48/387621548.db2.gz HCCIXJRWSUDWCD-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1C ZINC000361862287 387546930 /nfs/dbraw/zinc/54/69/30/387546930.db2.gz MJGPIWCRDCZMMF-ZDUSSCGKSA-N 1 2 241.338 2.944 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@]2(C)C(C)C)nc[nH+]1 ZINC000397196957 387551493 /nfs/dbraw/zinc/55/14/93/387551493.db2.gz OHBTYYRKEZODRX-PWSUYJOCSA-N 1 2 205.305 2.632 20 0 BFADLO CCN(CC)c1ccc(NCC(C)C)c[nH+]1 ZINC000037003362 387556822 /nfs/dbraw/zinc/55/68/22/387556822.db2.gz UXZJWQZWDQMFPJ-UHFFFAOYSA-N 1 2 221.348 2.996 20 0 BFADLO CCN(CC)c1ccc(NCC2CC2)c[nH+]1 ZINC000037003733 387556890 /nfs/dbraw/zinc/55/68/90/387556890.db2.gz RJFPSENQHHYZPJ-UHFFFAOYSA-N 1 2 219.332 2.750 20 0 BFADLO CC[C@H]([NH2+]Cc1occc1C)c1ccn(C)n1 ZINC000426350771 387558469 /nfs/dbraw/zinc/55/84/69/387558469.db2.gz YOMYJZMHWFYMMT-NSHDSACASA-N 1 2 233.315 2.562 20 0 BFADLO CCN(CC)c1ccc(NC2CCOCC2)c[nH+]1 ZINC000037003237 387558667 /nfs/dbraw/zinc/55/86/67/387558667.db2.gz GSEZFRBVXBTAQP-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO CCc1cc(N)nc(SCC2CCC2)[nH+]1 ZINC000279126622 387561203 /nfs/dbraw/zinc/56/12/03/387561203.db2.gz VIXHXXUERSAVGE-UHFFFAOYSA-N 1 2 223.345 2.513 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)o1 ZINC000121200203 387575638 /nfs/dbraw/zinc/57/56/38/387575638.db2.gz MCVVLHAQPQKGTR-GFCCVEGCSA-N 1 2 245.326 2.691 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000440783899 387695247 /nfs/dbraw/zinc/69/52/47/387695247.db2.gz GLSNPYPPACSVSH-QWRGUYRKSA-N 1 2 243.347 2.870 20 0 BFADLO CC[C@H](F)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000440783899 387695252 /nfs/dbraw/zinc/69/52/52/387695252.db2.gz GLSNPYPPACSVSH-QWRGUYRKSA-N 1 2 243.347 2.870 20 0 BFADLO CCCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000125326631 387650813 /nfs/dbraw/zinc/65/08/13/387650813.db2.gz DBPFZVBQMNGXCW-JTQLQIEISA-N 1 2 223.320 2.557 20 0 BFADLO CCCC(C)(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000362827516 387664183 /nfs/dbraw/zinc/66/41/83/387664183.db2.gz RJPUPCBNKBUGEK-UHFFFAOYSA-N 1 2 234.343 2.967 20 0 BFADLO CCCCCOCC(=O)Nc1cc[nH+]c(C)c1 ZINC000123345043 387684758 /nfs/dbraw/zinc/68/47/58/387684758.db2.gz JKDAISKTDZAHAW-UHFFFAOYSA-N 1 2 236.315 2.535 20 0 BFADLO CCC(CC)[C@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000422787419 387686998 /nfs/dbraw/zinc/68/69/98/387686998.db2.gz LXMFSNRKPLLNDR-VIFPVBQESA-N 1 2 235.331 2.505 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@H](C)O1 ZINC000527820491 387742509 /nfs/dbraw/zinc/74/25/09/387742509.db2.gz LLAGJSDQWAHBAB-RYUDHWBXSA-N 1 2 242.322 2.848 20 0 BFADLO CCC[N@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157135885 387743245 /nfs/dbraw/zinc/74/32/45/387743245.db2.gz JMPLTYGNXCMEOQ-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CCC[N@@H+](C)Cc1noc(C2CCCCC2)n1 ZINC000157135885 387743253 /nfs/dbraw/zinc/74/32/53/387743253.db2.gz JMPLTYGNXCMEOQ-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000440783900 387697202 /nfs/dbraw/zinc/69/72/02/387697202.db2.gz GLSNPYPPACSVSH-WDEREUQCSA-N 1 2 243.347 2.870 20 0 BFADLO CC[C@H](F)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000440783900 387697204 /nfs/dbraw/zinc/69/72/04/387697204.db2.gz GLSNPYPPACSVSH-WDEREUQCSA-N 1 2 243.347 2.870 20 0 BFADLO CC1(C)CCC[C@@H](C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000422796656 387698679 /nfs/dbraw/zinc/69/86/79/387698679.db2.gz YVPPPFCMMZBUBQ-SNVBAGLBSA-N 1 2 247.342 2.649 20 0 BFADLO CC[C@H](F)C[NH2+]C1(C(=O)OC)CCCCCC1 ZINC000440794517 387702006 /nfs/dbraw/zinc/70/20/06/387702006.db2.gz QZWXNBOVKXXUJG-NSHDSACASA-N 1 2 245.338 2.590 20 0 BFADLO Cc1ccc(F)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000127012761 387703308 /nfs/dbraw/zinc/70/33/08/387703308.db2.gz XYISCRQHBDZZGC-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccco2)o1 ZINC000356958825 387755010 /nfs/dbraw/zinc/75/50/10/387755010.db2.gz VKVLLXPTPRJFIE-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccco2)o1 ZINC000356958825 387755017 /nfs/dbraw/zinc/75/50/17/387755017.db2.gz VKVLLXPTPRJFIE-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Fc1cccc(COc2cc[nH+]cc2)c1F ZINC000431482187 387709983 /nfs/dbraw/zinc/70/99/83/387709983.db2.gz FOLCWPXOQVLLRR-UHFFFAOYSA-N 1 2 221.206 2.939 20 0 BFADLO c1sc(COc2cc[nH+]cc2)nc1C1CC1 ZINC000431492622 387710849 /nfs/dbraw/zinc/71/08/49/387710849.db2.gz DHZXLJDRNNUDGW-UHFFFAOYSA-N 1 2 232.308 2.995 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnns2)cc1C ZINC000452050423 387713332 /nfs/dbraw/zinc/71/33/32/387713332.db2.gz WVCPNMCXRORAEW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnns2)cc1C ZINC000452050423 387713336 /nfs/dbraw/zinc/71/33/36/387713336.db2.gz WVCPNMCXRORAEW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)C(F)(F)F ZINC000527968616 387811819 /nfs/dbraw/zinc/81/18/19/387811819.db2.gz VCSDJGLFKSFGME-SSDOTTSWSA-N 1 2 234.221 2.701 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)C(F)(F)F ZINC000527896459 387777632 /nfs/dbraw/zinc/77/76/32/387777632.db2.gz FIOIOCSONBTJDB-RNJXMRFFSA-N 1 2 207.239 2.715 20 0 BFADLO c1c[nH+]c(CNc2cccc3cccnc32)[nH]1 ZINC000049714479 387787001 /nfs/dbraw/zinc/78/70/01/387787001.db2.gz CVPGDUTWBRDEQE-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO Cc1cccc(CC[N@@H+]2CCC[C@H]2C(F)F)n1 ZINC000645842498 387798615 /nfs/dbraw/zinc/79/86/15/387798615.db2.gz VLDKFHUCNNVWPA-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(CC[N@H+]2CCC[C@H]2C(F)F)n1 ZINC000645842498 387798618 /nfs/dbraw/zinc/79/86/18/387798618.db2.gz VLDKFHUCNNVWPA-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@H](C(C)C)C1 ZINC000527983220 387800351 /nfs/dbraw/zinc/80/03/51/387800351.db2.gz XAIDBLQHFDGABU-LBPRGKRZSA-N 1 2 234.343 2.963 20 0 BFADLO CCCCCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336618 387806434 /nfs/dbraw/zinc/80/64/34/387806434.db2.gz WHMRICIQQFEVPM-UHFFFAOYSA-N 1 2 235.331 2.738 20 0 BFADLO CC(C)(C)CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336827 387806735 /nfs/dbraw/zinc/80/67/35/387806735.db2.gz WWQBPWNIIVYPPU-UHFFFAOYSA-N 1 2 249.358 2.984 20 0 BFADLO CN(CC1(C)COC1)c1[nH+]ccc2ccccc21 ZINC000528138016 387851505 /nfs/dbraw/zinc/85/15/05/387851505.db2.gz GRXVNFGKUAXINC-UHFFFAOYSA-N 1 2 242.322 2.708 20 0 BFADLO FC(F)[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000433039097 387855338 /nfs/dbraw/zinc/85/53/38/387855338.db2.gz KCAYCLUCFFCPAW-PWSUYJOCSA-N 1 2 241.281 2.619 20 0 BFADLO Cc1nocc1CNc1ccc(C)[nH+]c1C ZINC000293138358 387874392 /nfs/dbraw/zinc/87/43/92/387874392.db2.gz CRUPCISXBBVFKN-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2c2ccsc2)nc[nH+]1 ZINC000528203931 387869801 /nfs/dbraw/zinc/86/98/01/387869801.db2.gz GXDALNCTLWQESW-WDEREUQCSA-N 1 2 231.324 2.815 20 0 BFADLO CC(C)(C)[C@H]([NH2+]C[C@H]1CCOC1)C(F)(F)F ZINC000309539758 387818613 /nfs/dbraw/zinc/81/86/13/387818613.db2.gz GDOIFJTVDJMJDL-BDAKNGLRSA-N 1 2 239.281 2.590 20 0 BFADLO CC(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000443987758 387881700 /nfs/dbraw/zinc/88/17/00/387881700.db2.gz LCHSOBJGBGOTDU-GFCCVEGCSA-N 1 2 204.317 2.954 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@@H](C)[C@@H](C)O1 ZINC000438353603 387929725 /nfs/dbraw/zinc/92/97/25/387929725.db2.gz JXEBMYCIQDFWLI-KXUCPTDWSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@@H](C)[C@@H](C)O1 ZINC000438353603 387929729 /nfs/dbraw/zinc/92/97/29/387929729.db2.gz JXEBMYCIQDFWLI-KXUCPTDWSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H](C)O1 ZINC000423218951 387998954 /nfs/dbraw/zinc/99/89/54/387998954.db2.gz SPYXMZAYSMBXMF-RULNRJAQSA-N 1 2 232.327 2.632 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)C(F)F ZINC000453250012 388025443 /nfs/dbraw/zinc/02/54/43/388025443.db2.gz RCOWDZJJCFXENH-WCBMZHEXSA-N 1 2 214.259 2.776 20 0 BFADLO CC[C@H](N[C@@H](C)c1[nH+]ccn1CC)C(F)(F)F ZINC000453211989 388011346 /nfs/dbraw/zinc/01/13/46/388011346.db2.gz FYUJWKGPNJPQKF-IUCAKERBSA-N 1 2 249.280 2.895 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@H](C)C(C)(F)F ZINC000453302572 388037583 /nfs/dbraw/zinc/03/75/83/388037583.db2.gz ZZPBOYMHFYLZDT-RKDXNWHRSA-N 1 2 231.290 2.597 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccco1 ZINC000453350990 388055083 /nfs/dbraw/zinc/05/50/83/388055083.db2.gz KJHFKGPAJIYCJB-VIFPVBQESA-N 1 2 232.283 2.996 20 0 BFADLO Fc1cccc(F)c1CC[N@H+]1CC[C@H](F)C1 ZINC000645924843 388059688 /nfs/dbraw/zinc/05/96/88/388059688.db2.gz AVTLEFPSFJKCKM-VIFPVBQESA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cccc(F)c1CC[N@@H+]1CC[C@H](F)C1 ZINC000645924843 388059693 /nfs/dbraw/zinc/05/96/93/388059693.db2.gz AVTLEFPSFJKCKM-VIFPVBQESA-N 1 2 229.245 2.551 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cnc(C)cc2C)no1 ZINC000453373320 388063218 /nfs/dbraw/zinc/06/32/18/388063218.db2.gz SLVRPEYJZKBDFA-LBPRGKRZSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccno1 ZINC000533289227 388044939 /nfs/dbraw/zinc/04/49/39/388044939.db2.gz APZMYEQPZLHVOF-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccno1 ZINC000533289227 388044943 /nfs/dbraw/zinc/04/49/43/388044943.db2.gz APZMYEQPZLHVOF-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2cocn2)c1 ZINC000446976233 388046667 /nfs/dbraw/zinc/04/66/67/388046667.db2.gz VWOXSTPABPPRQX-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2cocn2)c1 ZINC000446976233 388046670 /nfs/dbraw/zinc/04/66/70/388046670.db2.gz VWOXSTPABPPRQX-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO COc1ccc(CNc2cccc[nH+]2)c(F)c1 ZINC000083358667 388048682 /nfs/dbraw/zinc/04/86/82/388048682.db2.gz GJMUMDFEASFKJL-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CC[C@@H]1C[C@H]1CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000455443339 388160146 /nfs/dbraw/zinc/16/01/46/388160146.db2.gz QGVFJLHAWAXNKB-NEPJUHHUSA-N 1 2 247.342 2.866 20 0 BFADLO Cc1sccc1C[NH2+]Cc1noc(C2CC2)n1 ZINC000449303613 388169752 /nfs/dbraw/zinc/16/97/52/388169752.db2.gz XICUKERTNDAOHW-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CC[N@H+](Cc1ccncc1)Cc1ccncc1F ZINC000449321041 388172801 /nfs/dbraw/zinc/17/28/01/388172801.db2.gz QXVPIQPHBKJQNU-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccncc1)Cc1ccncc1F ZINC000449321041 388172803 /nfs/dbraw/zinc/17/28/03/388172803.db2.gz QXVPIQPHBKJQNU-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645909680 388176879 /nfs/dbraw/zinc/17/68/79/388176879.db2.gz TYICTFBYVQQQTE-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CC1=CCCC1 ZINC000645909680 388176881 /nfs/dbraw/zinc/17/68/81/388176881.db2.gz TYICTFBYVQQQTE-MWLCHTKSSA-N 1 2 249.276 2.748 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(COC)c1)C(F)F ZINC000449356508 388180913 /nfs/dbraw/zinc/18/09/13/388180913.db2.gz ABNNDXSCGHWOBU-LBPRGKRZSA-N 1 2 243.297 2.966 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(F)F ZINC000449360142 388181297 /nfs/dbraw/zinc/18/12/97/388181297.db2.gz IXHLZYGKEOHTBW-SNVBAGLBSA-N 1 2 233.233 2.665 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(OC)c(O)c1)C(F)F ZINC000449359401 388181311 /nfs/dbraw/zinc/18/13/11/388181311.db2.gz HSXRLLIWSZPTBM-VIFPVBQESA-N 1 2 245.269 2.534 20 0 BFADLO CC[C@H](NCc1cc(OC)cc(C)[nH+]1)C(F)F ZINC000449358741 388181624 /nfs/dbraw/zinc/18/16/24/388181624.db2.gz GHKVMWXSJSNJBL-NSHDSACASA-N 1 2 244.285 2.532 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(OC)cc1)C(F)F ZINC000449357723 388181702 /nfs/dbraw/zinc/18/17/02/388181702.db2.gz DBEVWVVFYHYTJZ-NSHDSACASA-N 1 2 229.270 2.829 20 0 BFADLO CC[C@H]([NH2+]Cc1cnc(C)s1)C(F)F ZINC000449365850 388182963 /nfs/dbraw/zinc/18/29/63/388182963.db2.gz XARZQYDDQJVPQE-QMMMGPOBSA-N 1 2 220.288 2.585 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2ncccc2c1 ZINC000449371984 388185221 /nfs/dbraw/zinc/18/52/21/388185221.db2.gz ATLGYJALERKCCU-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO CCC1(NC(=O)CCc2[nH]cc[nH+]2)CCCCC1 ZINC000456214298 388185600 /nfs/dbraw/zinc/18/56/00/388185600.db2.gz FRVLRLMHFYLCME-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000448935764 388121325 /nfs/dbraw/zinc/12/13/25/388121325.db2.gz JTBFKOLKZFNUGS-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO CCCc1nc(C[N@H+](C)CCC(C)(C)C)no1 ZINC000646027876 388126956 /nfs/dbraw/zinc/12/69/56/388126956.db2.gz LJASYZCBFBZMEF-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CCCc1nc(C[N@@H+](C)CCC(C)(C)C)no1 ZINC000646027876 388126957 /nfs/dbraw/zinc/12/69/57/388126957.db2.gz LJASYZCBFBZMEF-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2csc(C)c2)no1 ZINC000449012689 388128233 /nfs/dbraw/zinc/12/82/33/388128233.db2.gz GCGZFJKRINWXGD-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2csc(C)c2)no1 ZINC000449012689 388128235 /nfs/dbraw/zinc/12/82/35/388128235.db2.gz GCGZFJKRINWXGD-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cccc(C)c2F)CCO1 ZINC000449011097 388128755 /nfs/dbraw/zinc/12/87/55/388128755.db2.gz XSVGCUVKJAOBOB-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2F)CCO1 ZINC000449011097 388128756 /nfs/dbraw/zinc/12/87/56/388128756.db2.gz XSVGCUVKJAOBOB-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646064206 388135280 /nfs/dbraw/zinc/13/52/80/388135280.db2.gz MMTSAGKVIVJHAJ-MFKMUULPSA-N 1 2 223.291 2.607 20 0 BFADLO CC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000646064206 388135283 /nfs/dbraw/zinc/13/52/83/388135283.db2.gz MMTSAGKVIVJHAJ-MFKMUULPSA-N 1 2 223.291 2.607 20 0 BFADLO CCc1nocc1C[N@H+](CC)Cc1ccoc1 ZINC000646071524 388136988 /nfs/dbraw/zinc/13/69/88/388136988.db2.gz JSVHADZHIRMEPL-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO CCc1nocc1C[N@@H+](CC)Cc1ccoc1 ZINC000646071524 388136991 /nfs/dbraw/zinc/13/69/91/388136991.db2.gz JSVHADZHIRMEPL-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO CC(C)[C@H]1C[N@H+](Cc2ccsc2)CCN1C ZINC000488558196 388186785 /nfs/dbraw/zinc/18/67/85/388186785.db2.gz MJBXLRSLZVDNFQ-CYBMUJFWSA-N 1 2 238.400 2.520 20 0 BFADLO CC(C)[C@H]1C[N@@H+](Cc2ccsc2)CCN1C ZINC000488558196 388186787 /nfs/dbraw/zinc/18/67/87/388186787.db2.gz MJBXLRSLZVDNFQ-CYBMUJFWSA-N 1 2 238.400 2.520 20 0 BFADLO CC(C)[C@@H]1C[N@H+](Cc2ccsc2)CCN1C ZINC000488558207 388186803 /nfs/dbraw/zinc/18/68/03/388186803.db2.gz MJBXLRSLZVDNFQ-ZDUSSCGKSA-N 1 2 238.400 2.520 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](Cc2ccsc2)CCN1C ZINC000488558207 388186805 /nfs/dbraw/zinc/18/68/05/388186805.db2.gz MJBXLRSLZVDNFQ-ZDUSSCGKSA-N 1 2 238.400 2.520 20 0 BFADLO Cc1cc(NC(=O)NC(C)(C)C2CCC2)cc[nH+]1 ZINC000455034120 388145358 /nfs/dbraw/zinc/14/53/58/388145358.db2.gz FLJJODAUPWQEQD-UHFFFAOYSA-N 1 2 247.342 2.512 20 0 BFADLO CCC1(NC(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000455053066 388146697 /nfs/dbraw/zinc/14/66/97/388146697.db2.gz ZTYQCSYNKNSLRV-UHFFFAOYSA-N 1 2 247.342 2.656 20 0 BFADLO Cc1ccc(NC(=O)NCC[C@H](C)F)c(C)[nH+]1 ZINC000455053704 388146720 /nfs/dbraw/zinc/14/67/20/388146720.db2.gz VIPLHYYCGRPLJC-QMMMGPOBSA-N 1 2 239.294 2.568 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000449384280 388189716 /nfs/dbraw/zinc/18/97/16/388189716.db2.gz ASNSHVUQLBUJLX-LLVKDONJSA-N 1 2 213.683 2.884 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000449384280 388189719 /nfs/dbraw/zinc/18/97/19/388189719.db2.gz ASNSHVUQLBUJLX-LLVKDONJSA-N 1 2 213.683 2.884 20 0 BFADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](F)C1 ZINC000449387864 388190761 /nfs/dbraw/zinc/19/07/61/388190761.db2.gz NETRNONHUQIIMP-NSHDSACASA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@H](F)C1 ZINC000449387864 388190763 /nfs/dbraw/zinc/19/07/63/388190763.db2.gz NETRNONHUQIIMP-NSHDSACASA-N 1 2 243.709 2.892 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000449390943 388191792 /nfs/dbraw/zinc/19/17/92/388191792.db2.gz XDRDKUMLXDAMDL-CKYFFXLPSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000449390943 388191793 /nfs/dbraw/zinc/19/17/93/388191793.db2.gz XDRDKUMLXDAMDL-CKYFFXLPSA-N 1 2 223.291 2.947 20 0 BFADLO Cc1ccoc1CNc1cc[nH+]c2ccncc12 ZINC000488703784 388192048 /nfs/dbraw/zinc/19/20/48/388192048.db2.gz LJHMOGZBZVTOCN-UHFFFAOYSA-N 1 2 239.278 2.565 20 0 BFADLO Cc1ccoc1CN(C)c1nc(C)[nH+]c(C)c1C ZINC000488772773 388195117 /nfs/dbraw/zinc/19/51/17/388195117.db2.gz UZEPIQVGQVKQOC-UHFFFAOYSA-N 1 2 245.326 2.940 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)CC ZINC000456336537 388195316 /nfs/dbraw/zinc/19/53/16/388195316.db2.gz ANKPDBOWDHIVKE-COPLHBTASA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000456346462 388195816 /nfs/dbraw/zinc/19/58/16/388195816.db2.gz HFDHREMKKJEAJF-GRYCIOLGSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CC(C)(C)C ZINC000456350926 388196570 /nfs/dbraw/zinc/19/65/70/388196570.db2.gz AQGZGHCEXRCWQJ-SNVBAGLBSA-N 1 2 237.347 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1=C(C)CCC1 ZINC000456352848 388197024 /nfs/dbraw/zinc/19/70/24/388197024.db2.gz LWLIGZFBYLWOQT-LLVKDONJSA-N 1 2 247.342 2.581 20 0 BFADLO CCCCCC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456371101 388197942 /nfs/dbraw/zinc/19/79/42/388197942.db2.gz DZOPWAHIRNGTLB-LLVKDONJSA-N 1 2 237.347 2.661 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000449411635 388198219 /nfs/dbraw/zinc/19/82/19/388198219.db2.gz CCCZKZYFDFODOL-SECBINFHSA-N 1 2 228.286 2.777 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)C(C)(F)F ZINC000449416839 388198759 /nfs/dbraw/zinc/19/87/59/388198759.db2.gz VODFQNUEPKPWPD-SNVBAGLBSA-N 1 2 245.317 2.906 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)C(C)(F)F ZINC000449416838 388199124 /nfs/dbraw/zinc/19/91/24/388199124.db2.gz VODFQNUEPKPWPD-JTQLQIEISA-N 1 2 245.317 2.906 20 0 BFADLO C[C@H]1C[C@H](NC(=O)CCC(C)(C)C)c2[nH+]ccn21 ZINC000456405797 388199195 /nfs/dbraw/zinc/19/91/95/388199195.db2.gz XRWFUPYRWLLCOQ-QWRGUYRKSA-N 1 2 249.358 2.831 20 0 BFADLO CCCCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456398826 388199211 /nfs/dbraw/zinc/19/92/11/388199211.db2.gz UOZPYJNLSSCYCI-QWRGUYRKSA-N 1 2 235.331 2.585 20 0 BFADLO CC(C)CCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456434480 388201095 /nfs/dbraw/zinc/20/10/95/388201095.db2.gz UVEYXYPWFJTSOP-NWDGAFQWSA-N 1 2 249.358 2.831 20 0 BFADLO Cc1cc(C)c(CNC(=O)CC2(C)CC2)c[nH+]1 ZINC000456826108 388225637 /nfs/dbraw/zinc/22/56/37/388225637.db2.gz AFQGXPHZFWYBQY-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CCC(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456838054 388226681 /nfs/dbraw/zinc/22/66/81/388226681.db2.gz CCDFWKVROIRBLD-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000456852949 388227779 /nfs/dbraw/zinc/22/77/79/388227779.db2.gz XTEPLJCZCUCDAV-UONOGXRCSA-N 1 2 246.354 2.607 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H](C)C(C)(C)C)c[nH+]1 ZINC000456853817 388227876 /nfs/dbraw/zinc/22/78/76/388227876.db2.gz YDGXVTMTYJVNIC-GFCCVEGCSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H](C)C(C)(C)C)c[nH+]1 ZINC000456853818 388228549 /nfs/dbraw/zinc/22/85/49/388228549.db2.gz YDGXVTMTYJVNIC-LBPRGKRZSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(NC(=O)N(C)CCC(C)(C)C)cc[nH+]1 ZINC000646328540 388233250 /nfs/dbraw/zinc/23/32/50/388233250.db2.gz IGHWSADNXAANFO-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO CCC(C)(C)CC[N@@H+](CC(F)F)C[C@H](C)O ZINC000451825937 388298889 /nfs/dbraw/zinc/29/88/89/388298889.db2.gz BVCPEGRMWXHHJP-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO CCC(C)(C)CC[N@H+](CC(F)F)C[C@H](C)O ZINC000451825937 388298890 /nfs/dbraw/zinc/29/88/90/388298890.db2.gz BVCPEGRMWXHHJP-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO CC[C@@H](C)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000451856115 388301516 /nfs/dbraw/zinc/30/15/16/388301516.db2.gz TWCRCGYVSJXSIV-CQSZACIVSA-N 1 2 236.403 2.903 20 0 BFADLO CCn1cc[nH+]c1/C=C\C(=O)N(C)C(C)(C)CC ZINC000491964046 388329876 /nfs/dbraw/zinc/32/98/76/388329876.db2.gz NNBIZYXQRHWEAQ-HJWRWDBZSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccc2C)no1 ZINC000193425905 388348082 /nfs/dbraw/zinc/34/80/82/388348082.db2.gz SHYNLJXEHLJENU-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccc2C)no1 ZINC000193425905 388348084 /nfs/dbraw/zinc/34/80/84/388348084.db2.gz SHYNLJXEHLJENU-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccccc1C ZINC000193426426 388349107 /nfs/dbraw/zinc/34/91/07/388349107.db2.gz LZHXZLAZEDNKJE-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000193426426 388349108 /nfs/dbraw/zinc/34/91/08/388349108.db2.gz LZHXZLAZEDNKJE-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000236987466 388387912 /nfs/dbraw/zinc/38/79/12/388387912.db2.gz JFQJLHRDPIDGOZ-OAHLLOKOSA-N 1 2 249.354 2.816 20 0 BFADLO CC(C)[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848636 388403767 /nfs/dbraw/zinc/40/37/67/388403767.db2.gz WWAQNXZXIITXOQ-ZDUSSCGKSA-N 1 2 223.291 2.607 20 0 BFADLO CC(C)[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848636 388403771 /nfs/dbraw/zinc/40/37/71/388403771.db2.gz WWAQNXZXIITXOQ-ZDUSSCGKSA-N 1 2 223.291 2.607 20 0 BFADLO CC=C(C=CC(=O)Nc1cc[nH+]cc1C)CC ZINC000492164392 388337018 /nfs/dbraw/zinc/33/70/18/388337018.db2.gz AWTSXCACYOVZLD-WLWVQNKQSA-N 1 2 230.311 2.663 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C=CC3CC3)cc2[nH+]1 ZINC000492168814 388337340 /nfs/dbraw/zinc/33/73/40/388337340.db2.gz KZFQVUKPYBDXBT-QPJJXVBHSA-N 1 2 241.294 2.776 20 0 BFADLO FC1(C[N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000525977131 388439856 /nfs/dbraw/zinc/43/98/56/388439856.db2.gz SLNDONFIQQNJRK-ZDUSSCGKSA-N 1 2 235.302 2.562 20 0 BFADLO FC1(C[N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000525977131 388439858 /nfs/dbraw/zinc/43/98/58/388439858.db2.gz SLNDONFIQQNJRK-ZDUSSCGKSA-N 1 2 235.302 2.562 20 0 BFADLO FC1(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000525977130 388440183 /nfs/dbraw/zinc/44/01/83/388440183.db2.gz SLNDONFIQQNJRK-CYBMUJFWSA-N 1 2 235.302 2.562 20 0 BFADLO FC1(C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000525977130 388440186 /nfs/dbraw/zinc/44/01/86/388440186.db2.gz SLNDONFIQQNJRK-CYBMUJFWSA-N 1 2 235.302 2.562 20 0 BFADLO Fc1ccc2c(c1F)C[N@@H+](CC1(F)CC1)CC2 ZINC000525979615 388443955 /nfs/dbraw/zinc/44/39/55/388443955.db2.gz NLQQATYPDPZMLQ-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Fc1ccc2c(c1F)C[N@H+](CC1(F)CC1)CC2 ZINC000525979615 388443957 /nfs/dbraw/zinc/44/39/57/388443957.db2.gz NLQQATYPDPZMLQ-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134310351 388476279 /nfs/dbraw/zinc/47/62/79/388476279.db2.gz MCIHQOBGFCBGOA-BDAKNGLRSA-N 1 2 226.345 2.639 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000177155127 388476677 /nfs/dbraw/zinc/47/66/77/388476677.db2.gz ZPHWKOJPZQKGRE-HZMBPMFUSA-N 1 2 247.342 2.522 20 0 BFADLO Cc1cc(C)cc(N(C)Cc2[nH+]ccn2C)c1 ZINC000195515003 388476974 /nfs/dbraw/zinc/47/69/74/388476974.db2.gz PAPHRMPHTUOBFP-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO CO[C@H](CNc1[nH+]ccc(C)c1Cl)C1CC1 ZINC000338775612 388477124 /nfs/dbraw/zinc/47/71/24/388477124.db2.gz GLQPOSJFTXMLJZ-SNVBAGLBSA-N 1 2 240.734 2.880 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc[nH+]1 ZINC000403432827 388408147 /nfs/dbraw/zinc/40/81/47/388408147.db2.gz YJXZWRDJJPBBBL-CKYFFXLPSA-N 1 2 217.316 2.640 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000573106924 388419589 /nfs/dbraw/zinc/41/95/89/388419589.db2.gz PCDWYUHXMGIQIR-NEPJUHHUSA-N 1 2 247.342 2.723 20 0 BFADLO CC[NH+](CC)Cc1csc(Cl)n1 ZINC000296616318 388424781 /nfs/dbraw/zinc/42/47/81/388424781.db2.gz ULLDUMRFDOWNHK-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccoc1 ZINC000167227084 388439533 /nfs/dbraw/zinc/43/95/33/388439533.db2.gz OJSQXKCLTTZZNU-NEPJUHHUSA-N 1 2 224.348 2.661 20 0 BFADLO Cc1sccc1C[NH2+]C1(C(F)F)CC1 ZINC000339392273 388482911 /nfs/dbraw/zinc/48/29/11/388482911.db2.gz KBFDWJWZTULSQC-UHFFFAOYSA-N 1 2 217.284 2.944 20 0 BFADLO CO[C@@H](CNc1ccc2ccccc2[nH+]1)C(C)C ZINC000342458084 388497573 /nfs/dbraw/zinc/49/75/73/388497573.db2.gz MDGLHDPWNKNDQQ-AWEZNQCLSA-N 1 2 244.338 2.740 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)CS1 ZINC000397881785 388509008 /nfs/dbraw/zinc/50/90/08/388509008.db2.gz ZCRJDTPBIFREDZ-ZYHUDNBSSA-N 1 2 244.363 2.963 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097846 388509666 /nfs/dbraw/zinc/50/96/66/388509666.db2.gz FGMRQDVDACCAPH-KXUCPTDWSA-N 1 2 223.320 2.737 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097846 388509668 /nfs/dbraw/zinc/50/96/68/388509668.db2.gz FGMRQDVDACCAPH-KXUCPTDWSA-N 1 2 223.320 2.737 20 0 BFADLO CC(C)c1noc([C@H](C)[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000548097844 388511586 /nfs/dbraw/zinc/51/15/86/388511586.db2.gz FGMRQDVDACCAPH-BBBLOLIVSA-N 1 2 223.320 2.737 20 0 BFADLO CCC(C)(CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000516774205 388517510 /nfs/dbraw/zinc/51/75/10/388517510.db2.gz IUNURNDUVJCIQS-LLVKDONJSA-N 1 2 237.347 2.529 20 0 BFADLO CCC[C@@H]1C[N@H+](C/C=C(/C)Cl)CCO1 ZINC000528426844 388523078 /nfs/dbraw/zinc/52/30/78/388523078.db2.gz UKHPLKDLBHEMFW-GULOHRGCSA-N 1 2 217.740 2.630 20 0 BFADLO CCC[C@@H]1C[N@@H+](C/C=C(/C)Cl)CCO1 ZINC000528426844 388523080 /nfs/dbraw/zinc/52/30/80/388523080.db2.gz UKHPLKDLBHEMFW-GULOHRGCSA-N 1 2 217.740 2.630 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCc2ncsc2C1 ZINC000528474683 388531739 /nfs/dbraw/zinc/53/17/39/388531739.db2.gz QKUZTJFCHUXQHH-WAPJZHGLSA-N 1 2 228.748 2.644 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCc2ncsc2C1 ZINC000528474683 388531740 /nfs/dbraw/zinc/53/17/40/388531740.db2.gz QKUZTJFCHUXQHH-WAPJZHGLSA-N 1 2 228.748 2.644 20 0 BFADLO CCCOCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000530110712 388607006 /nfs/dbraw/zinc/60/70/06/388607006.db2.gz PCOAYBNDGUZJMP-QWRGUYRKSA-N 1 2 222.332 2.638 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cnccc1C ZINC000623678977 388614401 /nfs/dbraw/zinc/61/44/01/388614401.db2.gz DMWINNZKOHCQTM-UHFFFAOYSA-N 1 2 214.259 2.525 20 0 BFADLO COc1ccc(C(C)(C)[NH2+]CC(F)F)cc1F ZINC000528674289 388557696 /nfs/dbraw/zinc/55/76/96/388557696.db2.gz ANVJXHGZMCSJSS-UHFFFAOYSA-N 1 2 247.260 2.924 20 0 BFADLO C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137601 388562912 /nfs/dbraw/zinc/56/29/12/388562912.db2.gz WOHNCLQBQHJTPR-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1nccs1 ZINC000528775472 388571600 /nfs/dbraw/zinc/57/16/00/388571600.db2.gz YKJZTWILRATONQ-QMMMGPOBSA-N 1 2 232.299 2.763 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1nccs1 ZINC000528775472 388571602 /nfs/dbraw/zinc/57/16/02/388571602.db2.gz YKJZTWILRATONQ-QMMMGPOBSA-N 1 2 232.299 2.763 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2[C@@H](C)[C@@H]2C2CC2)c(C)[nH+]1 ZINC000528811219 388576124 /nfs/dbraw/zinc/57/61/24/388576124.db2.gz JHYUGCXUNWSINT-CUOATXAZSA-N 1 2 244.338 2.929 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2ncccc2F)o1 ZINC000528822269 388576835 /nfs/dbraw/zinc/57/68/35/388576835.db2.gz BZGRXBZBGUGGOB-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC[C@H](F)C[NH2+][C@@H](C)c1ncccc1F ZINC000528827605 388576975 /nfs/dbraw/zinc/57/69/75/388576975.db2.gz WZHGSXKVWWUULD-IUCAKERBSA-N 1 2 214.259 2.619 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000245458703 388581251 /nfs/dbraw/zinc/58/12/51/388581251.db2.gz CZVYDZHBPJKJDT-AVGNSLFASA-N 1 2 249.354 2.720 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@@H](O)C(C)C ZINC000125182211 388670054 /nfs/dbraw/zinc/67/00/54/388670054.db2.gz MPSOAKUPOVUGSF-CQSZACIVSA-N 1 2 244.338 2.972 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1cccc(CC)c1 ZINC000189086733 388621859 /nfs/dbraw/zinc/62/18/59/388621859.db2.gz PVLKFIAFEZHDJZ-UHFFFAOYSA-N 1 2 249.354 2.680 20 0 BFADLO C[C@@H](CC(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000551909319 388645918 /nfs/dbraw/zinc/64/59/18/388645918.db2.gz FVVFVASRMDETRJ-JTQLQIEISA-N 1 2 247.273 2.612 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2cccc(F)c2)o1 ZINC000126964559 388709496 /nfs/dbraw/zinc/70/94/96/388709496.db2.gz BWTJXIFCXAHGOD-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000126964559 388709500 /nfs/dbraw/zinc/70/95/00/388709500.db2.gz BWTJXIFCXAHGOD-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000126965094 388709946 /nfs/dbraw/zinc/70/99/46/388709946.db2.gz QVQONJSPGBPBEQ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000126965094 388709949 /nfs/dbraw/zinc/70/99/49/388709949.db2.gz QVQONJSPGBPBEQ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000538727885 388713922 /nfs/dbraw/zinc/71/39/22/388713922.db2.gz DWTRUVHRLQLAMR-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000538727885 388713925 /nfs/dbraw/zinc/71/39/25/388713925.db2.gz DWTRUVHRLQLAMR-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1ccc(NC(=O)C2=CCCC2)c(C)[nH+]1 ZINC000127111201 388714490 /nfs/dbraw/zinc/71/44/90/388714490.db2.gz PNYRTKKNCFBABP-UHFFFAOYSA-N 1 2 216.284 2.747 20 0 BFADLO CC(C)CC[C@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000066410861 388717462 /nfs/dbraw/zinc/71/74/62/388717462.db2.gz XTIXAPJVAWGAGB-JTQLQIEISA-N 1 2 247.346 2.600 20 0 BFADLO Cc1cc(N2C3CCC2CC3)nc(C2CC2)[nH+]1 ZINC000522568141 388761522 /nfs/dbraw/zinc/76/15/22/388761522.db2.gz QIMBEZRGSIRGOL-UHFFFAOYSA-N 1 2 229.327 2.794 20 0 BFADLO CC1(CNc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000555496556 388852423 /nfs/dbraw/zinc/85/24/23/388852423.db2.gz JRRUZAPHYWEZHE-UHFFFAOYSA-N 1 2 231.343 2.894 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000565224275 388928673 /nfs/dbraw/zinc/92/86/73/388928673.db2.gz GSNUPJIABHCTNF-GRYCIOLGSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)[C@H](C)C1 ZINC000565227728 388929497 /nfs/dbraw/zinc/92/94/97/388929497.db2.gz CWPMIEGGHWLTCQ-MWLCHTKSSA-N 1 2 219.332 2.576 20 0 BFADLO c1cnc(C[NH2+]Cc2cccc(C3CC3)c2)nc1 ZINC000565242008 388931139 /nfs/dbraw/zinc/93/11/39/388931139.db2.gz BFPVKWARYHGDQT-UHFFFAOYSA-N 1 2 239.322 2.644 20 0 BFADLO CC[C@H]([NH2+]Cc1ncccn1)c1ccccc1F ZINC000565247338 388931790 /nfs/dbraw/zinc/93/17/90/388931790.db2.gz SDQAOAGGLRTDPY-ZDUSSCGKSA-N 1 2 245.301 2.857 20 0 BFADLO Cc1nc(N2CC[C@H](C)C(C)(C)C2)cc[nH+]1 ZINC000273445881 132201653 /nfs/dbraw/zinc/20/16/53/132201653.db2.gz CJPQCHQKHZKUCX-JTQLQIEISA-N 1 2 219.332 2.657 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CC12CCCCC2)c1[nH]cc[nH+]1 ZINC000565434896 388944951 /nfs/dbraw/zinc/94/49/51/388944951.db2.gz WGBUEZQIEQNCMG-MNOVXSKESA-N 1 2 247.342 2.557 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2cscn2)cn1 ZINC000565549935 388954649 /nfs/dbraw/zinc/95/46/49/388954649.db2.gz OYUDEWLKVTVQMS-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@H](C)CC(F)(F)F ZINC000566020566 388984858 /nfs/dbraw/zinc/98/48/58/388984858.db2.gz VBZWIOJROLEZOB-SSDOTTSWSA-N 1 2 247.264 2.516 20 0 BFADLO CC(C)C[C@H](CCO)CNc1cccc[nH+]1 ZINC000266744496 388997212 /nfs/dbraw/zinc/99/72/12/388997212.db2.gz RBYYRTKABCILBY-LBPRGKRZSA-N 1 2 222.332 2.538 20 0 BFADLO Cc1ccc(OCc2c[nH+]cn2C)cc1C ZINC000267813562 389001416 /nfs/dbraw/zinc/00/14/16/389001416.db2.gz UQPZTEZRDSDEBU-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO CC[C@@H](CSC)Nc1cc[nH+]c(C2CC2)n1 ZINC000271685469 389023916 /nfs/dbraw/zinc/02/39/16/389023916.db2.gz KPQGAGMTEVKWSK-JTQLQIEISA-N 1 2 237.372 2.908 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000273602740 389043053 /nfs/dbraw/zinc/04/30/53/389043053.db2.gz LRBPATRXHBTVCL-DTWKUNHWSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000273602745 389043408 /nfs/dbraw/zinc/04/34/08/389043408.db2.gz LRBPATRXHBTVCL-RKDXNWHRSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H]1CCCC[C@]1(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493453753 533630678 /nfs/dbraw/zinc/63/06/78/533630678.db2.gz NUAVOFFSAUAORI-GULGNGMXSA-N 1 2 247.342 2.508 20 0 BFADLO COc1ccc2[nH+]c(C)cc(OC)c2c1 ZINC000037638085 322828640 /nfs/dbraw/zinc/82/86/40/322828640.db2.gz XHTLYOKPVXRLOE-UHFFFAOYSA-N 1 2 203.241 2.560 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000266213622 132185125 /nfs/dbraw/zinc/18/51/25/132185125.db2.gz OCBCBSMZIOCYQD-NSHDSACASA-N 1 2 249.383 2.686 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000266197767 132185343 /nfs/dbraw/zinc/18/53/43/132185343.db2.gz CWDNSJGSWJXGMH-MNOVXSKESA-N 1 2 231.343 2.979 20 0 BFADLO Cc1nc(N2CCC(C(C)C)CC2)cc[nH+]1 ZINC000266296004 132186239 /nfs/dbraw/zinc/18/62/39/132186239.db2.gz XMWXZAODKQOBMU-UHFFFAOYSA-N 1 2 219.332 2.657 20 0 BFADLO CCC1(C)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266414176 132186859 /nfs/dbraw/zinc/18/68/59/132186859.db2.gz QZUHLHYJLZAODL-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO C[C@@H]1CCc2ccccc2N1Cc1c[nH+]cn1C ZINC000267101843 132188420 /nfs/dbraw/zinc/18/84/20/132188420.db2.gz YAPFTBOZKWWNOO-GFCCVEGCSA-N 1 2 241.338 2.761 20 0 BFADLO CC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267175377 132188787 /nfs/dbraw/zinc/18/87/87/132188787.db2.gz DCLOMWTWFPOFJQ-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO C[C@@H]1CSCCN1c1cc[nH+]c2ccncc21 ZINC000268015727 132191217 /nfs/dbraw/zinc/19/12/17/132191217.db2.gz XQLCBSZJSHBPQH-SNVBAGLBSA-N 1 2 245.351 2.572 20 0 BFADLO FC(F)(F)C1=CCN(c2cccc[nH+]2)CC1 ZINC000270198249 132196317 /nfs/dbraw/zinc/19/63/17/132196317.db2.gz JBBMEOCEHMGZQV-UHFFFAOYSA-N 1 2 228.217 2.780 20 0 BFADLO COc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000272877667 132201005 /nfs/dbraw/zinc/20/10/05/132201005.db2.gz GCHIEKVIFGREIA-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO Cc1cc(N2CCC(OC(C)(C)C)CC2)nc[nH+]1 ZINC000301618081 132224141 /nfs/dbraw/zinc/22/41/41/132224141.db2.gz BANYAMQWZQRDAC-UHFFFAOYSA-N 1 2 249.358 2.569 20 0 BFADLO Fc1ccc(F)c2c1CCN(c1cccc[nH+]1)C2 ZINC000301564361 132224194 /nfs/dbraw/zinc/22/41/94/132224194.db2.gz LNCMYNNCVOHOFQ-UHFFFAOYSA-N 1 2 246.260 2.923 20 0 BFADLO Cc1cc(N2CCC[C@@]3(CCSC3)C2)nc[nH+]1 ZINC000336254346 132245473 /nfs/dbraw/zinc/24/54/73/132245473.db2.gz ZECHDPVCPXNELN-CYBMUJFWSA-N 1 2 249.383 2.509 20 0 BFADLO F[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000336480135 132247855 /nfs/dbraw/zinc/24/78/55/132247855.db2.gz NIDRSQDNUFZSSP-JTQLQIEISA-N 1 2 231.274 2.568 20 0 BFADLO Cc1cc(N2CCC[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC000336571391 132248785 /nfs/dbraw/zinc/24/87/85/132248785.db2.gz VNKVHYOCSBTNIQ-NSHDSACASA-N 1 2 235.306 2.601 20 0 BFADLO C[C@@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301297987 132252595 /nfs/dbraw/zinc/25/25/95/132252595.db2.gz YULKWEOPAHLYLE-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301297987 132252597 /nfs/dbraw/zinc/25/25/97/132252597.db2.gz YULKWEOPAHLYLE-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1cc(N2CCc3ccccc3[C@@H]2C)nc[nH+]1 ZINC000301483448 132254033 /nfs/dbraw/zinc/25/40/33/132254033.db2.gz GAOQWYAXRBWXDD-LBPRGKRZSA-N 1 2 239.322 2.909 20 0 BFADLO Cc1nc(N2CCC[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC000301590834 132255101 /nfs/dbraw/zinc/25/51/01/132255101.db2.gz XYFVQVOFZAMKKB-NSHDSACASA-N 1 2 245.370 2.900 20 0 BFADLO C[C@H]1CCCCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301837793 132258301 /nfs/dbraw/zinc/25/83/01/132258301.db2.gz WHDJXZKAERIBQL-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCCCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000301837793 132258303 /nfs/dbraw/zinc/25/83/03/132258303.db2.gz WHDJXZKAERIBQL-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO Cc1ccc2c(c1)CCN(c1cc(C)[nH+]cn1)C2 ZINC000302713758 132265733 /nfs/dbraw/zinc/26/57/33/132265733.db2.gz LLOWUFOGOIZPEH-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO CCCN(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000110370109 132267811 /nfs/dbraw/zinc/26/78/11/132267811.db2.gz SFKVYABRPNSLDP-LBPRGKRZSA-N 1 2 248.374 2.559 20 0 BFADLO CCCN(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000110370109 132267812 /nfs/dbraw/zinc/26/78/12/132267812.db2.gz SFKVYABRPNSLDP-LBPRGKRZSA-N 1 2 248.374 2.559 20 0 BFADLO Cc1cc(N2C[C@@H](C)OC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356742237 132271588 /nfs/dbraw/zinc/27/15/88/132271588.db2.gz KMLWSRWZTKMRGA-NWDGAFQWSA-N 1 2 249.358 2.522 20 0 BFADLO Cc1nc(N2CCC(C)(C3CC3)CC2)cc[nH+]1 ZINC000357544026 132273800 /nfs/dbraw/zinc/27/38/00/132273800.db2.gz FKLLYGFSKLVTFK-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1c[nH+]c(CN(Cc2ccco2)C(C)C)n1C ZINC000342806047 133598637 /nfs/dbraw/zinc/59/86/37/133598637.db2.gz IJDIBDTYLRPMGH-UHFFFAOYSA-N 1 2 247.342 2.732 20 0 BFADLO Cc1cc(N[C@@]2(C)CCO[C@H]2C)nc(C2CC2)[nH+]1 ZINC000343497379 133689467 /nfs/dbraw/zinc/68/94/67/133689467.db2.gz DMWAZEFBRPGVOX-HZMBPMFUSA-N 1 2 247.342 2.642 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000335930635 134010504 /nfs/dbraw/zinc/01/05/04/134010504.db2.gz IBDOXQBAWMINAN-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000335930635 134010505 /nfs/dbraw/zinc/01/05/05/134010505.db2.gz IBDOXQBAWMINAN-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC000335930634 134010508 /nfs/dbraw/zinc/01/05/08/134010508.db2.gz IBDOXQBAWMINAN-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC000335930634 134010509 /nfs/dbraw/zinc/01/05/09/134010509.db2.gz IBDOXQBAWMINAN-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO Cc1cnc(NCc2ccc(N(C)C)[nH+]c2)s1 ZINC000352004835 134034904 /nfs/dbraw/zinc/03/49/04/134034904.db2.gz DQIDNCXRJYZXFD-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC3(CCCC3)C2)no1 ZINC000174269737 134280253 /nfs/dbraw/zinc/28/02/53/134280253.db2.gz BWUISWVEIBLSEF-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC3(CCCC3)C2)no1 ZINC000174269737 134280254 /nfs/dbraw/zinc/28/02/54/134280254.db2.gz BWUISWVEIBLSEF-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO Fc1cc(F)cc(C[NH2+]Cc2cscn2)c1 ZINC000226749564 134370944 /nfs/dbraw/zinc/37/09/44/134370944.db2.gz FFEALYMWADWUPS-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO C[C@@H]1OCC[C@@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000227903586 134398265 /nfs/dbraw/zinc/39/82/65/134398265.db2.gz GLFMSMGGIGCCAN-JQWIXIFHSA-N 1 2 241.281 2.545 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000133604642 134686073 /nfs/dbraw/zinc/68/60/73/134686073.db2.gz BIEKEJNWKQCLOZ-NSHDSACASA-N 1 2 230.315 2.725 20 0 BFADLO CC[C@@H]([NH2+]Cc1cncs1)c1nccs1 ZINC000070717537 135009620 /nfs/dbraw/zinc/00/96/20/135009620.db2.gz QDVUIWFSZDZSIR-SECBINFHSA-N 1 2 239.369 2.841 20 0 BFADLO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)F)C[C@H]1C ZINC000251951074 135081917 /nfs/dbraw/zinc/08/19/17/135081917.db2.gz WVHBSODTRPMWER-HLTSFMKQSA-N 1 2 209.255 2.963 20 0 BFADLO CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078651669 135131516 /nfs/dbraw/zinc/13/15/16/135131516.db2.gz SAPFHOYUJXAMNQ-UHFFFAOYSA-N 1 2 228.251 2.832 20 0 BFADLO CCc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000078779913 135150696 /nfs/dbraw/zinc/15/06/96/135150696.db2.gz PGOCTBZWPAMIDQ-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO Cc1ccc2[nH]c(CNc3cccc[nH+]3)nc2c1 ZINC000342449223 135275199 /nfs/dbraw/zinc/27/51/99/135275199.db2.gz MWDAJCVXUZNODH-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1ccc2nc(CNc3cccc[nH+]3)[nH]c2c1 ZINC000342449223 135275201 /nfs/dbraw/zinc/27/52/01/135275201.db2.gz MWDAJCVXUZNODH-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1c[nH+]c(CN2CCCc3ccccc32)n1C ZINC000342781101 135317599 /nfs/dbraw/zinc/31/75/99/135317599.db2.gz NBGIHCGAGKTASO-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000342784458 135318794 /nfs/dbraw/zinc/31/87/94/135318794.db2.gz QSYIMHJEASLEGE-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000342784458 135318796 /nfs/dbraw/zinc/31/87/96/135318796.db2.gz QSYIMHJEASLEGE-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1c[nH+]c(CN(C)[C@@H](C)c2ccccc2)n1C ZINC000342784458 135318798 /nfs/dbraw/zinc/31/87/98/135318798.db2.gz QSYIMHJEASLEGE-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)C[C@H]1C ZINC000334164322 135322002 /nfs/dbraw/zinc/32/20/02/135322002.db2.gz ACKDFMYLPJZDGI-GXSJLCMTSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1ccsc1CN(C)Cc1[nH+]cc(C)n1C ZINC000342772437 135327430 /nfs/dbraw/zinc/32/74/30/135327430.db2.gz ATZNFMZOLOEVNF-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1ncc(C)n1C ZINC000342772437 135327432 /nfs/dbraw/zinc/32/74/32/135327432.db2.gz ATZNFMZOLOEVNF-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1ncc(C)n1C ZINC000342772437 135327433 /nfs/dbraw/zinc/32/74/33/135327433.db2.gz ATZNFMZOLOEVNF-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Fc1ccc2cc[nH+]c(N3CCSCC3)c2c1 ZINC000334299865 135335942 /nfs/dbraw/zinc/33/59/42/135335942.db2.gz SBGQFKVNHJUBTQ-UHFFFAOYSA-N 1 2 248.326 2.927 20 0 BFADLO c1cc(N2CC[C@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000334304269 135347168 /nfs/dbraw/zinc/34/71/68/135347168.db2.gz CGDRUXBRPFAHNQ-LBPRGKRZSA-N 1 2 229.327 2.590 20 0 BFADLO CC1=C(C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC1 ZINC000334357862 135370192 /nfs/dbraw/zinc/37/01/92/135370192.db2.gz RBMRFRBNAVXJBF-UHFFFAOYSA-N 1 2 245.326 2.587 20 0 BFADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000334376498 135376333 /nfs/dbraw/zinc/37/63/33/135376333.db2.gz VTZQKWKVOJIZRX-OTYXRUKQSA-N 1 2 245.301 2.572 20 0 BFADLO C[N@H+](Cc1cnccn1)Cc1ccccc1Cl ZINC000080966465 135385000 /nfs/dbraw/zinc/38/50/00/135385000.db2.gz CKGQGFRJAPDFHK-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cnccn1)Cc1ccccc1Cl ZINC000080966465 135385003 /nfs/dbraw/zinc/38/50/03/135385003.db2.gz CKGQGFRJAPDFHK-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)CO1 ZINC000335441248 135413759 /nfs/dbraw/zinc/41/37/59/135413759.db2.gz RNBIDGXJHSPYSD-IONNQARKSA-N 1 2 246.232 2.690 20 0 BFADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)c(F)c1 ZINC000335953927 135425221 /nfs/dbraw/zinc/42/52/21/135425221.db2.gz IVAKIHOXKCAPEJ-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO COc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000096474489 135626230 /nfs/dbraw/zinc/62/62/30/135626230.db2.gz UXYSTYWXYIAAIW-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N[C@H]2CC[C@H]2C)[nH+]cn1 ZINC000343813291 135699981 /nfs/dbraw/zinc/69/99/81/135699981.db2.gz UJIRHHPRFCEUAT-WYUUTHIRSA-N 1 2 246.358 2.897 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C2(C)CCC2)n1 ZINC000335011217 135864933 /nfs/dbraw/zinc/86/49/33/135864933.db2.gz VFTCBIICTWIKMX-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO CCC[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000347752601 136011598 /nfs/dbraw/zinc/01/15/98/136011598.db2.gz JXGFQKYOSZQCDZ-UHFFFAOYSA-N 1 2 233.302 2.723 20 0 BFADLO CCC[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000347752601 136011599 /nfs/dbraw/zinc/01/15/99/136011599.db2.gz JXGFQKYOSZQCDZ-UHFFFAOYSA-N 1 2 233.302 2.723 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCCO1 ZINC000347856039 136016033 /nfs/dbraw/zinc/01/60/33/136016033.db2.gz DMWIANVPMZKUJK-LLVKDONJSA-N 1 2 221.300 2.510 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000347947055 136019422 /nfs/dbraw/zinc/01/94/22/136019422.db2.gz YUPIHTOIHDHHSJ-UTUOFQBUSA-N 1 2 247.342 2.509 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000335315257 136024190 /nfs/dbraw/zinc/02/41/90/136024190.db2.gz GPWVPXAIFDZMDK-GHMZBOCLSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000335315257 136024191 /nfs/dbraw/zinc/02/41/91/136024191.db2.gz GPWVPXAIFDZMDK-GHMZBOCLSA-N 1 2 235.331 2.567 20 0 BFADLO CSc1ccccc1C[N@@H+]1CCOCC12CC2 ZINC000335317536 136025416 /nfs/dbraw/zinc/02/54/16/136025416.db2.gz JHFNTJRSRJQEHW-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CSc1ccccc1C[N@H+]1CCOCC12CC2 ZINC000335317536 136025417 /nfs/dbraw/zinc/02/54/17/136025417.db2.gz JHFNTJRSRJQEHW-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2c(C)cccc2C)n1 ZINC000348097201 136035501 /nfs/dbraw/zinc/03/55/01/136035501.db2.gz UDFLRCDNCLFRPU-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cccc([N@H+](C)C[C@H]2C[C@@H](O)C2)c1C ZINC000335379641 136087151 /nfs/dbraw/zinc/08/71/51/136087151.db2.gz QTVZJBFBQZCGBJ-BETUJISGSA-N 1 2 219.328 2.511 20 0 BFADLO Cc1cccc([N@@H+](C)C[C@H]2C[C@@H](O)C2)c1C ZINC000335379641 136087152 /nfs/dbraw/zinc/08/71/52/136087152.db2.gz QTVZJBFBQZCGBJ-BETUJISGSA-N 1 2 219.328 2.511 20 0 BFADLO F[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335398952 136093457 /nfs/dbraw/zinc/09/34/57/136093457.db2.gz MMIZXOZOOJHEEZ-QMMMGPOBSA-N 1 2 234.196 2.649 20 0 BFADLO C[C@@H]1CCN(Cc2c[nH+]cn2C)c2ccccc21 ZINC000177009670 397839490 /nfs/dbraw/zinc/83/94/90/397839490.db2.gz MRVWPKIEZHASIC-GFCCVEGCSA-N 1 2 241.338 2.934 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000440493492 397927813 /nfs/dbraw/zinc/92/78/13/397927813.db2.gz WZKZBIRLJOBPNF-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000440493492 397927816 /nfs/dbraw/zinc/92/78/16/397927816.db2.gz WZKZBIRLJOBPNF-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)[C@@H](C)O1 ZINC000449231094 397952509 /nfs/dbraw/zinc/95/25/09/397952509.db2.gz CLGWFYRLHZXNTM-HFAKWTLXSA-N 1 2 246.354 2.938 20 0 BFADLO Cc1cn2cc(NC(=O)[C@H]3CC3(C)C)ccc2[nH+]1 ZINC000270027994 397960689 /nfs/dbraw/zinc/96/06/89/397960689.db2.gz VDQMTMKIEDSKKM-LLVKDONJSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(C)c1 ZINC000492822524 397898714 /nfs/dbraw/zinc/89/87/14/397898714.db2.gz JVAKOQQPNBEOAE-XQRVVYSFSA-N 1 2 241.294 2.678 20 0 BFADLO COc1ccc(NCc2cnc(C3CC3)o2)[nH+]c1 ZINC000649531158 397923066 /nfs/dbraw/zinc/92/30/66/397923066.db2.gz XMMZRBNVCQFQGA-UHFFFAOYSA-N 1 2 245.282 2.568 20 0 BFADLO COC1(CC[N@@H+]2CCCC(F)(F)C2)CCC1 ZINC000649696164 398044776 /nfs/dbraw/zinc/04/47/76/398044776.db2.gz XJXIARYBYNHJFV-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO COC1(CC[N@H+]2CCCC(F)(F)C2)CCC1 ZINC000649696164 398044777 /nfs/dbraw/zinc/04/47/77/398044777.db2.gz XJXIARYBYNHJFV-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO Cc1nocc1CNc1cc(C)c[nH+]c1C ZINC000650242456 398003656 /nfs/dbraw/zinc/00/36/56/398003656.db2.gz LNTIFMPGSHNYGS-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CCc1cc[nH+]cc1NCC(C)(C)COC ZINC000650242969 398003715 /nfs/dbraw/zinc/00/37/15/398003715.db2.gz FGXBPBSQWGKJJK-UHFFFAOYSA-N 1 2 222.332 2.729 20 0 BFADLO CCc1cc[nH+]cc1NCc1c(C)n[nH]c1C ZINC000650243389 398006752 /nfs/dbraw/zinc/00/67/52/398006752.db2.gz WZWMSDNKEFWZOT-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO CC[N@H+](Cc1cncc(F)c1)Cc1ccccn1 ZINC000274339128 398009621 /nfs/dbraw/zinc/00/96/21/398009621.db2.gz HXYJFDWNARSWMU-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cncc(F)c1)Cc1ccccn1 ZINC000274339128 398009628 /nfs/dbraw/zinc/00/96/28/398009628.db2.gz HXYJFDWNARSWMU-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[C@H]1[C@@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000274668364 398012163 /nfs/dbraw/zinc/01/21/63/398012163.db2.gz GVRQZZSQDVKFCH-JQWIXIFHSA-N 1 2 231.343 2.979 20 0 BFADLO CCOC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)C ZINC000277011716 398025092 /nfs/dbraw/zinc/02/50/92/398025092.db2.gz YBFGLSGHLNHYKM-GFCCVEGCSA-N 1 2 249.358 2.827 20 0 BFADLO COc1cc(C)c(NCc2[nH+]ccn2C)cc1C ZINC000277746650 398032256 /nfs/dbraw/zinc/03/22/56/398032256.db2.gz YWZXQHYCWCSYDO-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO CC(C)c1cccc(C[NH2+]Cc2csnn2)c1 ZINC000361035858 397970588 /nfs/dbraw/zinc/97/05/88/397970588.db2.gz DEPJFKUGUJOLBF-UHFFFAOYSA-N 1 2 247.367 2.951 20 0 BFADLO COC(C)(C)CC[N@@H+]1CCCC(F)(F)C1 ZINC000649695452 398043750 /nfs/dbraw/zinc/04/37/50/398043750.db2.gz VYJNOSNEZNNIHX-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO COC(C)(C)CC[N@H+]1CCCC(F)(F)C1 ZINC000649695452 398043752 /nfs/dbraw/zinc/04/37/52/398043752.db2.gz VYJNOSNEZNNIHX-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@H]1C[N@H+](Cc2nccs2)[C@@H](CC)CO1 ZINC000649718582 398059980 /nfs/dbraw/zinc/05/99/80/398059980.db2.gz BSKLQXNDVGMKBD-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2nccs2)[C@@H](CC)CO1 ZINC000649718582 398059983 /nfs/dbraw/zinc/05/99/83/398059983.db2.gz BSKLQXNDVGMKBD-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1cc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)nc[nH+]1 ZINC000624444394 398092327 /nfs/dbraw/zinc/09/23/27/398092327.db2.gz BGJVNWXPQTUXEF-IUCAKERBSA-N 1 2 241.285 2.513 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)ncn1 ZINC000292224497 398102990 /nfs/dbraw/zinc/10/29/90/398102990.db2.gz RAPYZTTZDYKWMP-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)ncn1 ZINC000292224497 398102992 /nfs/dbraw/zinc/10/29/92/398102992.db2.gz RAPYZTTZDYKWMP-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)n1ccc(C[N@H+](C)Cc2ccoc2)n1 ZINC000336691336 398132995 /nfs/dbraw/zinc/13/29/95/398132995.db2.gz IEIFZQMXTIKITJ-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1ccc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000336691336 398132997 /nfs/dbraw/zinc/13/29/97/398132997.db2.gz IEIFZQMXTIKITJ-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO C[C@@H]1C[N@H+](CC(F)F)CCc2ccccc21 ZINC000649834210 398133552 /nfs/dbraw/zinc/13/35/52/398133552.db2.gz FWYNRDIFEUWIMR-SNVBAGLBSA-N 1 2 225.282 2.913 20 0 BFADLO C[C@@H]1C[N@@H+](CC(F)F)CCc2ccccc21 ZINC000649834210 398133556 /nfs/dbraw/zinc/13/35/56/398133556.db2.gz FWYNRDIFEUWIMR-SNVBAGLBSA-N 1 2 225.282 2.913 20 0 BFADLO Cc1ccc(NC(=O)NC2CC=CC2)c(C)[nH+]1 ZINC000119563106 487557192 /nfs/dbraw/zinc/55/71/92/487557192.db2.gz XVDCWPYLDODDDZ-UHFFFAOYSA-N 1 2 231.299 2.539 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000685613370 487564153 /nfs/dbraw/zinc/56/41/53/487564153.db2.gz NICXRNAIINTAQQ-JOYOIKCWSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000685613370 487564154 /nfs/dbraw/zinc/56/41/54/487564154.db2.gz NICXRNAIINTAQQ-JOYOIKCWSA-N 1 2 245.326 2.724 20 0 BFADLO CC(C)(C[NH+]1CC(F)C1)c1ccccc1 ZINC000680334277 487566823 /nfs/dbraw/zinc/56/68/23/487566823.db2.gz MCKKIDJRVPWRTQ-UHFFFAOYSA-N 1 2 207.292 2.618 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccco2)o1 ZINC000291910743 487567175 /nfs/dbraw/zinc/56/71/75/487567175.db2.gz MSQQKRMUUKRJHK-VIFPVBQESA-N 1 2 234.299 2.989 20 0 BFADLO COc1ccc[nH+]c1NCC(C1CC1)C1CC1 ZINC000128147898 322900016 /nfs/dbraw/zinc/90/00/16/322900016.db2.gz ZNJNOOOIIWIOCS-UHFFFAOYSA-N 1 2 232.327 2.938 20 0 BFADLO CCc1cc(NCCCc2ccco2)nc[nH+]1 ZINC000664583183 487577151 /nfs/dbraw/zinc/57/71/51/487577151.db2.gz ABZQAUGVKNZWPF-UHFFFAOYSA-N 1 2 231.299 2.677 20 0 BFADLO COc1cccnc1C[NH2+][C@H](C)c1ccoc1 ZINC000556434685 322912534 /nfs/dbraw/zinc/91/25/34/322912534.db2.gz LYAIVKZKKCZYSU-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO FC(F)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000685919332 487597412 /nfs/dbraw/zinc/59/74/12/487597412.db2.gz KRSFMYSPTZYMLM-QMMMGPOBSA-N 1 2 237.253 2.654 20 0 BFADLO C[C@@]1(C(F)F)C[N@H+](Cc2ccsc2)CCO1 ZINC000662369688 409680135 /nfs/dbraw/zinc/68/01/35/409680135.db2.gz WNRTVOWNORWKGX-NSHDSACASA-N 1 2 247.310 2.604 20 0 BFADLO C[C@@]1(C(F)F)C[N@@H+](Cc2ccsc2)CCO1 ZINC000662369688 409680142 /nfs/dbraw/zinc/68/01/42/409680142.db2.gz WNRTVOWNORWKGX-NSHDSACASA-N 1 2 247.310 2.604 20 0 BFADLO CC[C@H](NC(=O)CC1=CCCCC1)c1[nH]cc[nH+]1 ZINC000140610388 409823540 /nfs/dbraw/zinc/82/35/40/409823540.db2.gz PYLOFUHPFZYMNY-LBPRGKRZSA-N 1 2 247.342 2.868 20 0 BFADLO CSc1ccc[nH+]c1NCC1=CCCOC1 ZINC000651970933 409939896 /nfs/dbraw/zinc/93/98/96/409939896.db2.gz PHUPHWBKOBSQRN-UHFFFAOYSA-N 1 2 236.340 2.562 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)[C@@H]1CCOC1 ZINC000651971531 409942219 /nfs/dbraw/zinc/94/22/19/409942219.db2.gz JDVMRGSBNLMCTN-VHSXEESVSA-N 1 2 238.356 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CCO[C@@H](C)C1 ZINC000651971332 409943513 /nfs/dbraw/zinc/94/35/13/409943513.db2.gz AKRCLCXMNKNYJE-UWVGGRQHSA-N 1 2 238.356 2.783 20 0 BFADLO CC[C@@H](COC)Nc1[nH+]cccc1SC ZINC000651971316 409943653 /nfs/dbraw/zinc/94/36/53/409943653.db2.gz ACKNSOZOBNMCLU-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CCO[C@H](C)C1 ZINC000651971334 409943915 /nfs/dbraw/zinc/94/39/15/409943915.db2.gz AKRCLCXMNKNYJE-ZJUUUORDSA-N 1 2 238.356 2.783 20 0 BFADLO CSc1ccc[nH+]c1NCC[C@H]1CCOC1 ZINC000651971470 409944501 /nfs/dbraw/zinc/94/45/01/409944501.db2.gz GRHPZLAZHMOGEV-JTQLQIEISA-N 1 2 238.356 2.642 20 0 BFADLO CCc1cc[nH+]cc1NCc1cnccc1C ZINC000651979820 410114979 /nfs/dbraw/zinc/11/49/79/410114979.db2.gz LHECOTOQWJBYEJ-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CCc1cc[nH+]cc1NC[C@@H]1CCSC1 ZINC000651979919 410115073 /nfs/dbraw/zinc/11/50/73/410115073.db2.gz QRDJASGLWHFCSG-JTQLQIEISA-N 1 2 222.357 2.809 20 0 BFADLO Brc1ccc(C[NH+]2CC3(CC3)C2)o1 ZINC000306315009 166098478 /nfs/dbraw/zinc/09/84/78/166098478.db2.gz ZNNIOAOAOASYPW-UHFFFAOYSA-N 1 2 242.116 2.638 20 0 BFADLO CCC(CC)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655401923 410206254 /nfs/dbraw/zinc/20/62/54/410206254.db2.gz ZUCVRUWLAFEHFK-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO C[C@H](CC(C)(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403526 410208735 /nfs/dbraw/zinc/20/87/35/410208735.db2.gz VVNKGZPFHYZIBQ-NXEZZACHSA-N 1 2 237.347 2.659 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@@H]1C ZINC000663674447 410306817 /nfs/dbraw/zinc/30/68/17/410306817.db2.gz SVKRFLRNZOBAJE-QWRGUYRKSA-N 1 2 241.338 2.909 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H](F)C1 ZINC000663875245 410362618 /nfs/dbraw/zinc/36/26/18/410362618.db2.gz UBOJILYENWKARI-JTQLQIEISA-N 1 2 245.301 2.755 20 0 BFADLO CCc1cc(N[C@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000663998293 410423264 /nfs/dbraw/zinc/42/32/64/410423264.db2.gz JJJLXBXPHKOCOH-SECBINFHSA-N 1 2 246.289 2.746 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2c(C)cccc2C)o1 ZINC000661530112 410729388 /nfs/dbraw/zinc/72/93/88/410729388.db2.gz LQXAIQKJPSEQHS-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2c(C)cccc2C)o1 ZINC000661530112 410729395 /nfs/dbraw/zinc/72/93/95/410729395.db2.gz LQXAIQKJPSEQHS-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC(C)Oc1ccccc1-c1[nH]cc[nH+]1 ZINC000035029670 167307681 /nfs/dbraw/zinc/30/76/81/167307681.db2.gz HIHXYMCHOWPVGA-UHFFFAOYSA-N 1 2 202.257 2.864 20 0 BFADLO CC(C)[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294767697 167357636 /nfs/dbraw/zinc/35/76/36/167357636.db2.gz AQUATZOIKULSDT-NSHDSACASA-N 1 2 245.326 2.955 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000288517394 167371365 /nfs/dbraw/zinc/37/13/65/167371365.db2.gz RCJGXLFGBLHNQC-GFCCVEGCSA-N 1 2 248.374 2.558 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000288517394 167371366 /nfs/dbraw/zinc/37/13/66/167371366.db2.gz RCJGXLFGBLHNQC-GFCCVEGCSA-N 1 2 248.374 2.558 20 0 BFADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccncc1 ZINC000651351921 410942975 /nfs/dbraw/zinc/94/29/75/410942975.db2.gz JWMQQBJNJHSJJV-JTQLQIEISA-N 1 2 214.259 2.778 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@H]1CCCC1(F)F ZINC000398191369 410948639 /nfs/dbraw/zinc/94/86/39/410948639.db2.gz KFBOMWPVIFDSAB-NSHDSACASA-N 1 2 243.301 2.741 20 0 BFADLO CCN(CCSC)c1cc[nH+]c(C2CC2)n1 ZINC000591999724 411131710 /nfs/dbraw/zinc/13/17/10/411131710.db2.gz FMOSVSCMNNBXQH-UHFFFAOYSA-N 1 2 237.372 2.543 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cncs1 ZINC000651912832 411150067 /nfs/dbraw/zinc/15/00/67/411150067.db2.gz FXODBHPTNKNEAP-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cncs1 ZINC000651912832 411150068 /nfs/dbraw/zinc/15/00/68/411150068.db2.gz FXODBHPTNKNEAP-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)(CC[N@@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000653636802 411153514 /nfs/dbraw/zinc/15/35/14/411153514.db2.gz QWORUGPGHNYOFS-LLVKDONJSA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)(CC[N@H+]1C[C@H](O)CC(F)(F)C1)C1CC1 ZINC000653636802 411153517 /nfs/dbraw/zinc/15/35/17/411153517.db2.gz QWORUGPGHNYOFS-LLVKDONJSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@H]1C[C@@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831112 411164946 /nfs/dbraw/zinc/16/49/46/411164946.db2.gz XMLSBKQPJOSXDP-CABZTGNLSA-N 1 2 241.294 2.671 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000652068309 411105159 /nfs/dbraw/zinc/10/51/59/411105159.db2.gz ZHMQSGCJGWJSII-JBLDHEPKSA-N 1 2 220.316 2.684 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](C)SC1 ZINC000655748994 411161675 /nfs/dbraw/zinc/16/16/75/411161675.db2.gz NWGBHGRQLCRICS-ZJUUUORDSA-N 1 2 238.356 2.786 20 0 BFADLO Oc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1Cl ZINC000652076767 411108641 /nfs/dbraw/zinc/10/86/41/411108641.db2.gz YAHAZLNQWOTCSK-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc(C[N@H+]2CCC[C@H](F)C2)c1Cl ZINC000652076767 411108644 /nfs/dbraw/zinc/10/86/44/411108644.db2.gz YAHAZLNQWOTCSK-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO CCc1ncc(C[N@@H+]2CCC[C@@H](F)C2)s1 ZINC000652077236 411108783 /nfs/dbraw/zinc/10/87/83/411108783.db2.gz VSZAELJOLLTVLZ-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1ncc(C[N@H+]2CCC[C@@H](F)C2)s1 ZINC000652077236 411108786 /nfs/dbraw/zinc/10/87/86/411108786.db2.gz VSZAELJOLLTVLZ-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1ncc(C[N@@H+]2CCC[C@H](F)C2)s1 ZINC000652077237 411108875 /nfs/dbraw/zinc/10/88/75/411108875.db2.gz VSZAELJOLLTVLZ-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO CCc1ncc(C[N@H+]2CCC[C@H](F)C2)s1 ZINC000652077237 411108877 /nfs/dbraw/zinc/10/88/77/411108877.db2.gz VSZAELJOLLTVLZ-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000652076765 411109582 /nfs/dbraw/zinc/10/95/82/411109582.db2.gz XWEXZBLBPHIHFQ-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000652076765 411109584 /nfs/dbraw/zinc/10/95/84/411109584.db2.gz XWEXZBLBPHIHFQ-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCCC1(C)C ZINC000616927988 411115355 /nfs/dbraw/zinc/11/53/55/411115355.db2.gz VGDASHHAYMAYBM-GFCCVEGCSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCCC1(C)C ZINC000616927988 411115357 /nfs/dbraw/zinc/11/53/57/411115357.db2.gz VGDASHHAYMAYBM-GFCCVEGCSA-N 1 2 249.358 2.585 20 0 BFADLO COc1ccc(N[C@@H]2CCCSCC2)[nH+]c1 ZINC000657950469 411178658 /nfs/dbraw/zinc/17/86/58/411178658.db2.gz QCPTVHWADVUDFH-SNVBAGLBSA-N 1 2 238.356 2.788 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1cccc(C)c1 ZINC000656107367 411180571 /nfs/dbraw/zinc/18/05/71/411180571.db2.gz PIVMVJYZKKUSSA-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC(=O)c1cc(NCc2c[nH+]cn2C)ccc1C ZINC000656122930 411182602 /nfs/dbraw/zinc/18/26/02/411182602.db2.gz IBUIBNCUEXCOSE-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)C[C@H](C)C1 ZINC000656149642 411186638 /nfs/dbraw/zinc/18/66/38/411186638.db2.gz GHUAQYPSMZLVKJ-MNOVXSKESA-N 1 2 249.358 2.666 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC000656149641 411187107 /nfs/dbraw/zinc/18/71/07/411187107.db2.gz GHUAQYPSMZLVKJ-GHMZBOCLSA-N 1 2 249.358 2.666 20 0 BFADLO COc1c(C)[nH+]cnc1N1C[C@H](C)CC(C)(C)C1 ZINC000656156813 411190579 /nfs/dbraw/zinc/19/05/79/411190579.db2.gz UHYJXNVJVGTHCO-SNVBAGLBSA-N 1 2 249.358 2.666 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)o1 ZINC000658097472 411244597 /nfs/dbraw/zinc/24/45/97/411244597.db2.gz IAMVUTQVTNFZNI-LSJOCFKGSA-N 1 2 246.314 2.536 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ccccn1)C2 ZINC000653834131 411196698 /nfs/dbraw/zinc/19/66/98/411196698.db2.gz HQDWDSCNVMBGDB-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ccccn1)C2 ZINC000653834131 411196700 /nfs/dbraw/zinc/19/67/00/411196700.db2.gz HQDWDSCNVMBGDB-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCC2(CCC2)CC1 ZINC000656188212 411197154 /nfs/dbraw/zinc/19/71/54/411197154.db2.gz ZSRCQDQYLYMLTH-UHFFFAOYSA-N 1 2 247.342 2.564 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@H]1CCCC1(F)F ZINC000656195961 411200662 /nfs/dbraw/zinc/20/06/62/411200662.db2.gz NTQLCLPMEZLQSY-SNVBAGLBSA-N 1 2 241.285 2.941 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CCCC1(F)F ZINC000656195960 411200936 /nfs/dbraw/zinc/20/09/36/411200936.db2.gz NTQLCLPMEZLQSY-JTQLQIEISA-N 1 2 241.285 2.941 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccsc2)co1 ZINC000660484561 411245727 /nfs/dbraw/zinc/24/57/27/411245727.db2.gz QIOBFVDLUARAKY-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc(N[C@@H](C2CC2)[C@H]2CCCCO2)nc[nH+]1 ZINC000656208566 411209633 /nfs/dbraw/zinc/20/96/33/411209633.db2.gz NSLGFFGSVPVWIK-OCCSQVGLSA-N 1 2 247.342 2.545 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H]2C=CCCCCC2)n1 ZINC000653888796 411209951 /nfs/dbraw/zinc/20/99/51/411209951.db2.gz GWVIIOUQCNGMOI-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H]2C=CCCCCC2)n1 ZINC000653888796 411209952 /nfs/dbraw/zinc/20/99/52/411209952.db2.gz GWVIIOUQCNGMOI-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO COCC1(CNc2[nH+]ccc(C)c2Cl)CC1 ZINC000656212537 411210442 /nfs/dbraw/zinc/21/04/42/411210442.db2.gz BHDCRQLDBXMOTR-UHFFFAOYSA-N 1 2 240.734 2.882 20 0 BFADLO Cc1cc(NC[C@H]2CCC3(CCCC3)O2)nc[nH+]1 ZINC000656228250 411213793 /nfs/dbraw/zinc/21/37/93/411213793.db2.gz SZAFFKLQBKQKJW-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@@H]1CCCCO1 ZINC000656228445 411214020 /nfs/dbraw/zinc/21/40/20/411214020.db2.gz QECZEIVKKWEQAZ-RYUDHWBXSA-N 1 2 235.331 2.545 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000656265597 411221412 /nfs/dbraw/zinc/22/14/12/411221412.db2.gz DDZUQAVOLVONOU-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ccnc32)o1 ZINC000655683149 411224373 /nfs/dbraw/zinc/22/43/73/411224373.db2.gz PERMSHAMAGURLM-NWDGAFQWSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1ccc(Cn2cc(C(C)C)cn2)c[nH+]1 ZINC000655683355 411225495 /nfs/dbraw/zinc/22/54/95/411225495.db2.gz QRVRQUHHLCGGNG-UHFFFAOYSA-N 1 2 215.300 2.758 20 0 BFADLO C[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)C[C@@H]1C ZINC000130374524 411232376 /nfs/dbraw/zinc/23/23/76/411232376.db2.gz DKHSEEGWEPGZPG-NEPJUHHUSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)C[C@@H]1C ZINC000130374524 411232382 /nfs/dbraw/zinc/23/23/82/411232382.db2.gz DKHSEEGWEPGZPG-NEPJUHHUSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@H]1C[N@@H+](CC(=O)c2ccccc2F)CC[C@@H]1C ZINC000130374782 411232732 /nfs/dbraw/zinc/23/27/32/411232732.db2.gz DKHSEEGWEPGZPG-RYUDHWBXSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@H]1C[N@H+](CC(=O)c2ccccc2F)CC[C@@H]1C ZINC000130374782 411232736 /nfs/dbraw/zinc/23/27/36/411232736.db2.gz DKHSEEGWEPGZPG-RYUDHWBXSA-N 1 2 249.329 2.986 20 0 BFADLO Cn1cc[nH+]c1-c1cccc2c1CCCC2=O ZINC000656371665 411237659 /nfs/dbraw/zinc/23/76/59/411237659.db2.gz NEIZWNLNWROALC-UHFFFAOYSA-N 1 2 226.279 2.606 20 0 BFADLO CC(C)=CCC[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000400886055 411165563 /nfs/dbraw/zinc/16/55/63/411165563.db2.gz ZTGPWVCKSCVCTI-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO CC(C)=CCC[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000400886055 411165565 /nfs/dbraw/zinc/16/55/65/411165565.db2.gz ZTGPWVCKSCVCTI-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO CC(C)=CCC[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000400886057 411165623 /nfs/dbraw/zinc/16/56/23/411165623.db2.gz ZTGPWVCKSCVCTI-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO CC(C)=CCC[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000400886057 411165624 /nfs/dbraw/zinc/16/56/24/411165624.db2.gz ZTGPWVCKSCVCTI-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000655711898 411267206 /nfs/dbraw/zinc/26/72/06/411267206.db2.gz JWXMZORTEOYRPE-CQSZACIVSA-N 1 2 241.338 2.804 20 0 BFADLO CC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062015615 411278767 /nfs/dbraw/zinc/27/87/67/411278767.db2.gz RSHDGYZDECZKMK-JTQLQIEISA-N 1 2 225.719 2.922 20 0 BFADLO CC(=O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062015615 411278769 /nfs/dbraw/zinc/27/87/69/411278769.db2.gz RSHDGYZDECZKMK-JTQLQIEISA-N 1 2 225.719 2.922 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2coc(C)n2)cc1 ZINC000660177134 411283823 /nfs/dbraw/zinc/28/38/23/411283823.db2.gz FOWRBBBBJARCDX-SNVBAGLBSA-N 1 2 246.310 2.842 20 0 BFADLO FC(F)(F)CC1C[NH+](Cc2nccs2)C1 ZINC000656686450 411328809 /nfs/dbraw/zinc/32/88/09/411328809.db2.gz MXMMJVDUDMRRQB-UHFFFAOYSA-N 1 2 236.262 2.527 20 0 BFADLO CC[C@H](C)[C@@H](CNc1c[nH+]cc(C)c1)OC ZINC000653469227 411289832 /nfs/dbraw/zinc/28/98/32/411289832.db2.gz RXAJOQKLTGWGRJ-WCQYABFASA-N 1 2 222.332 2.863 20 0 BFADLO CC[C@@H](C)[C@H](CNc1c[nH+]cc(C)c1)OC ZINC000653469228 411289925 /nfs/dbraw/zinc/28/99/25/411289925.db2.gz RXAJOQKLTGWGRJ-YPMHNXCESA-N 1 2 222.332 2.863 20 0 BFADLO CO[C@@H](CNc1ccc(C)[nH+]c1)CC(C)C ZINC000653469121 411289952 /nfs/dbraw/zinc/28/99/52/411289952.db2.gz PGDLYNVKIRSUPM-CYBMUJFWSA-N 1 2 222.332 2.863 20 0 BFADLO FC(F)C1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000656691413 411329816 /nfs/dbraw/zinc/32/98/16/411329816.db2.gz WRVLGDFGLCPNCO-UHFFFAOYSA-N 1 2 221.634 2.630 20 0 BFADLO C[C@H]1C[C@H](NC(=O)CCCC2CC2)c2[nH+]ccn21 ZINC000654010757 411313205 /nfs/dbraw/zinc/31/32/05/411313205.db2.gz UAOQQLDQZVSEFK-JQWIXIFHSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)CCCC2CC2)c2[nH+]ccn21 ZINC000654010759 411313213 /nfs/dbraw/zinc/31/32/13/411313213.db2.gz UAOQQLDQZVSEFK-ZYHUDNBSSA-N 1 2 247.342 2.585 20 0 BFADLO CC(C)(C)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000050347792 411257797 /nfs/dbraw/zinc/25/77/97/411257797.db2.gz MJZQOFAEZXKNMC-UHFFFAOYSA-N 1 2 248.370 2.836 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cscn2)cn1 ZINC000656683375 411326862 /nfs/dbraw/zinc/32/68/62/411326862.db2.gz YWNUCXJRKVILSN-ZJUUUORDSA-N 1 2 248.355 2.653 20 0 BFADLO Cn1cccc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776799 411356972 /nfs/dbraw/zinc/35/69/72/411356972.db2.gz SEUWFPRAILWQIA-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)o1 ZINC000658335940 411343686 /nfs/dbraw/zinc/34/36/86/411343686.db2.gz JTMSWIDVUSNUHW-WDEREUQCSA-N 1 2 247.342 2.987 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000277287526 168004714 /nfs/dbraw/zinc/00/47/14/168004714.db2.gz AAGYQOUMRADTKI-SECBINFHSA-N 1 2 248.248 2.837 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000277287526 168004716 /nfs/dbraw/zinc/00/47/16/168004716.db2.gz AAGYQOUMRADTKI-SECBINFHSA-N 1 2 248.248 2.837 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000292948890 168084040 /nfs/dbraw/zinc/08/40/40/168084040.db2.gz NZYVQYISQISLME-UHFFFAOYSA-N 1 2 248.374 2.644 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)CC1 ZINC000292948890 168084044 /nfs/dbraw/zinc/08/40/44/168084044.db2.gz NZYVQYISQISLME-UHFFFAOYSA-N 1 2 248.374 2.644 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC=C(C)C1 ZINC000280810194 168095344 /nfs/dbraw/zinc/09/53/44/168095344.db2.gz ZEXOOIGYVPIUKS-UHFFFAOYSA-N 1 2 231.299 2.574 20 0 BFADLO CC1=C[C@@H](C)C[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000356423804 168123652 /nfs/dbraw/zinc/12/36/52/168123652.db2.gz LRVBUCCIXMLYFP-ZYHUDNBSSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=C[C@@H](C)C[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000356423804 168123653 /nfs/dbraw/zinc/12/36/53/168123653.db2.gz LRVBUCCIXMLYFP-ZYHUDNBSSA-N 1 2 247.329 2.538 20 0 BFADLO CC1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000267680474 168147841 /nfs/dbraw/zinc/14/78/41/168147841.db2.gz PHNRHGUENMWIQR-UHFFFAOYSA-N 1 2 203.289 2.564 20 0 BFADLO CC1C[NH+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000356423620 168190073 /nfs/dbraw/zinc/19/00/73/168190073.db2.gz LBNBSLYJHDTYQE-UHFFFAOYSA-N 1 2 245.244 2.863 20 0 BFADLO CCC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000112963833 168302474 /nfs/dbraw/zinc/30/24/74/168302474.db2.gz USGSOMNMMWUMCR-UHFFFAOYSA-N 1 2 205.305 2.955 20 0 BFADLO Cc1c[nH]c(CNc2cccc(C)c2)[nH+]1 ZINC000657319918 411461359 /nfs/dbraw/zinc/46/13/59/411461359.db2.gz PJFAHKSCNVSBMU-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO O[C@H](C[N@@H+]1CCCC(F)(F)C1)C1CCCCC1 ZINC000405048450 411414187 /nfs/dbraw/zinc/41/41/87/411414187.db2.gz IGBNXNXRXQKVIM-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H](C[N@H+]1CCCC(F)(F)C1)C1CCCCC1 ZINC000405048450 411414190 /nfs/dbraw/zinc/41/41/90/411414190.db2.gz IGBNXNXRXQKVIM-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO CC[N@H+](CC[C@@H]1CCOC1=O)c1ccccc1C ZINC000267986528 169871847 /nfs/dbraw/zinc/87/18/47/169871847.db2.gz PTHHOQGJXOOLLJ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@@H]1CCOC1=O)c1ccccc1C ZINC000267986528 169871848 /nfs/dbraw/zinc/87/18/48/169871848.db2.gz PTHHOQGJXOOLLJ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC(C)[C@H]1OCCC[C@@H]1CNc1cccc[nH+]1 ZINC000267691971 411421886 /nfs/dbraw/zinc/42/18/86/411421886.db2.gz QQGRYYQHNFIXIU-TZMCWYRMSA-N 1 2 234.343 2.945 20 0 BFADLO COc1c(C)ccc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657318583 411462773 /nfs/dbraw/zinc/46/27/73/411462773.db2.gz SJHWIMIHVIIHPK-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO CC[C@H](COCc1[nH]cc[nH+]1)CC(F)F ZINC000657254610 411435769 /nfs/dbraw/zinc/43/57/69/411435769.db2.gz ABYPDHRETSWHGD-QMMMGPOBSA-N 1 2 218.247 2.608 20 0 BFADLO C[C@H]1CCCC[C@@H]1COCc1[nH]cc[nH+]1 ZINC000657254854 411435793 /nfs/dbraw/zinc/43/57/93/411435793.db2.gz DFPOETJMNHFEDC-WDEREUQCSA-N 1 2 208.305 2.753 20 0 BFADLO Cc1nc(C[N@H+](C)CCC(C)(C)C2CC2)no1 ZINC000653609639 411438855 /nfs/dbraw/zinc/43/88/55/411438855.db2.gz XJOUHGZTNOYNMI-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@@H+](C)CCC(C)(C)C2CC2)no1 ZINC000653609639 411438857 /nfs/dbraw/zinc/43/88/57/411438857.db2.gz XJOUHGZTNOYNMI-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1c[nH]c(C[NH2+][C@@H]2CSc3ccccc32)n1 ZINC000657367848 411480607 /nfs/dbraw/zinc/48/06/07/411480607.db2.gz WCUJOXHIOPQTGB-LLVKDONJSA-N 1 2 245.351 2.655 20 0 BFADLO Cc1c[nH]c(C[NH2+]C2(c3cccc(F)c3)CC2)n1 ZINC000657372658 411486168 /nfs/dbraw/zinc/48/61/68/411486168.db2.gz WCVZMMMNJQMWNY-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO CO[C@@H](C[N@H+](C)CC(F)F)C1CCCCC1 ZINC000659879345 411488706 /nfs/dbraw/zinc/48/87/06/411488706.db2.gz SWWIXUPJHRQJGI-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CO[C@@H](C[N@@H+](C)CC(F)F)C1CCCCC1 ZINC000659879345 411488708 /nfs/dbraw/zinc/48/87/08/411488708.db2.gz SWWIXUPJHRQJGI-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)on1 ZINC000659985545 411519020 /nfs/dbraw/zinc/51/90/20/411519020.db2.gz MAFFTJNDQNVCOW-ZDUSSCGKSA-N 1 2 244.294 2.630 20 0 BFADLO COc1cc(C[N@H+]2CC[C@H]2c2ccccc2)on1 ZINC000659985545 411519022 /nfs/dbraw/zinc/51/90/22/411519022.db2.gz MAFFTJNDQNVCOW-ZDUSSCGKSA-N 1 2 244.294 2.630 20 0 BFADLO Cc1nc(C[N@H+](C)CCOC(C)(C)C)c(C)o1 ZINC000660017975 411528733 /nfs/dbraw/zinc/52/87/33/411528733.db2.gz PPVWNCJEEVIPPU-UHFFFAOYSA-N 1 2 240.347 2.538 20 0 BFADLO Cc1nc(C[N@@H+](C)CCOC(C)(C)C)c(C)o1 ZINC000660017975 411528734 /nfs/dbraw/zinc/52/87/34/411528734.db2.gz PPVWNCJEEVIPPU-UHFFFAOYSA-N 1 2 240.347 2.538 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)co1 ZINC000660032265 411530152 /nfs/dbraw/zinc/53/01/52/411530152.db2.gz CRMSRFRRLBLLKR-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)co1 ZINC000660032265 411530154 /nfs/dbraw/zinc/53/01/54/411530154.db2.gz CRMSRFRRLBLLKR-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187853752 170004482 /nfs/dbraw/zinc/00/44/82/170004482.db2.gz XPLDUQKZHXFKLW-GFCCVEGCSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187853752 170004483 /nfs/dbraw/zinc/00/44/83/170004483.db2.gz XPLDUQKZHXFKLW-GFCCVEGCSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341979446 170023989 /nfs/dbraw/zinc/02/39/89/170023989.db2.gz OWLQXAWXLIQSSO-GFCCVEGCSA-N 1 2 229.245 2.855 20 0 BFADLO CC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341979446 170023990 /nfs/dbraw/zinc/02/39/90/170023990.db2.gz OWLQXAWXLIQSSO-GFCCVEGCSA-N 1 2 229.245 2.855 20 0 BFADLO CCN1C[C@H](C)[N@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000353814365 170033356 /nfs/dbraw/zinc/03/33/56/170033356.db2.gz ZTTIHSDJQOAICV-NEPJUHHUSA-N 1 2 236.359 2.503 20 0 BFADLO CCN1C[C@H](C)[N@@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000353814365 170033358 /nfs/dbraw/zinc/03/33/58/170033358.db2.gz ZTTIHSDJQOAICV-NEPJUHHUSA-N 1 2 236.359 2.503 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccn2)c(C)o1 ZINC000660139926 411543839 /nfs/dbraw/zinc/54/38/39/411543839.db2.gz HXLYRMNPHXSWJN-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccn2)c(C)o1 ZINC000660139926 411543841 /nfs/dbraw/zinc/54/38/41/411543841.db2.gz HXLYRMNPHXSWJN-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](Cc2ccncc2)C2CC2)co1 ZINC000660138446 411544296 /nfs/dbraw/zinc/54/42/96/411544296.db2.gz UHTIYNPPCCIHHC-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nc(C[N@@H+](Cc2ccncc2)C2CC2)co1 ZINC000660138446 411544297 /nfs/dbraw/zinc/54/42/97/411544297.db2.gz UHTIYNPPCCIHHC-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)C1CCCCC1 ZINC000660213212 411554370 /nfs/dbraw/zinc/55/43/70/411554370.db2.gz BMRPGHCODMPCDH-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)C1CCCCC1 ZINC000660213212 411554372 /nfs/dbraw/zinc/55/43/72/411554372.db2.gz BMRPGHCODMPCDH-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1c(C)cccc1C ZINC000121562568 170187191 /nfs/dbraw/zinc/18/71/91/170187191.db2.gz IICFBXVPLXKBOE-UHFFFAOYSA-N 1 2 249.354 2.735 20 0 BFADLO CCOC(=O)C1(CNc2cccc[nH+]2)CCCC1 ZINC000302753680 170190230 /nfs/dbraw/zinc/19/02/30/170190230.db2.gz WAYMNXKGMJIQGO-UHFFFAOYSA-N 1 2 248.326 2.617 20 0 BFADLO CC[N@H+](Cc1nc(C)oc1C)Cc1ccncc1 ZINC000660161790 411549996 /nfs/dbraw/zinc/54/99/96/411549996.db2.gz IBTXOPTYGQLZPY-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nc(C)oc1C)Cc1ccncc1 ZINC000660161790 411549997 /nfs/dbraw/zinc/54/99/97/411549997.db2.gz IBTXOPTYGQLZPY-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CCOC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119037379 170227269 /nfs/dbraw/zinc/22/72/69/170227269.db2.gz NWKUCZFACOBBSD-OAHLLOKOSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000043638734 170267037 /nfs/dbraw/zinc/26/70/37/170267037.db2.gz FHOUEEYXJKDRQN-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000043638734 170267038 /nfs/dbraw/zinc/26/70/38/170267038.db2.gz FHOUEEYXJKDRQN-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000049368320 170267992 /nfs/dbraw/zinc/26/79/92/170267992.db2.gz DECFHIAPUFKKQC-JSGCOSHPSA-N 1 2 249.354 2.987 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000049367611 170268135 /nfs/dbraw/zinc/26/81/35/170268135.db2.gz IOBPMZHHZXXSDV-NEPJUHHUSA-N 1 2 249.354 2.851 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000049368622 170268514 /nfs/dbraw/zinc/26/85/14/170268514.db2.gz FXVDQSWYPJSJBF-AAEUAGOBSA-N 1 2 235.327 2.679 20 0 BFADLO CCOC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000309168967 170278981 /nfs/dbraw/zinc/27/89/81/170278981.db2.gz KFTLIESDDHMFRR-NSHDSACASA-N 1 2 241.718 2.506 20 0 BFADLO CCOCCCCNc1cc[nH+]c(C(C)C)n1 ZINC000110242833 170371244 /nfs/dbraw/zinc/37/12/44/170371244.db2.gz ICNZRRLPOFGENY-UHFFFAOYSA-N 1 2 237.347 2.829 20 0 BFADLO CCOCCCOc1ccc(C)[nH+]c1CC ZINC000352563468 170384208 /nfs/dbraw/zinc/38/42/08/170384208.db2.gz UQUUJYJVGYVTIQ-UHFFFAOYSA-N 1 2 223.316 2.758 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)co1 ZINC000660444315 411585778 /nfs/dbraw/zinc/58/57/78/411585778.db2.gz BUZRUPYLDJFBFV-XVKPBYJWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)co1 ZINC000660444315 411585780 /nfs/dbraw/zinc/58/57/80/411585780.db2.gz BUZRUPYLDJFBFV-XVKPBYJWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C)o1 ZINC000660566932 411600860 /nfs/dbraw/zinc/60/08/60/411600860.db2.gz UHFUMKHXIYWOFQ-QMMMGPOBSA-N 1 2 244.285 2.769 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C)o1 ZINC000660566932 411600861 /nfs/dbraw/zinc/60/08/61/411600861.db2.gz UHFUMKHXIYWOFQ-QMMMGPOBSA-N 1 2 244.285 2.769 20 0 BFADLO C[C@H](O)C[N@H+](CCCC1CCC1)CC(F)F ZINC000660739698 411620250 /nfs/dbraw/zinc/62/02/50/411620250.db2.gz XSXHRVQTWSMRKQ-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[C@H](O)C[N@@H+](CCCC1CCC1)CC(F)F ZINC000660739698 411620251 /nfs/dbraw/zinc/62/02/51/411620251.db2.gz XSXHRVQTWSMRKQ-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccccc1C1CC1 ZINC000661092431 411705868 /nfs/dbraw/zinc/70/58/68/411705868.db2.gz ICYVPNKEDLDTDV-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccccc1C1CC1 ZINC000661092431 411705872 /nfs/dbraw/zinc/70/58/72/411705872.db2.gz ICYVPNKEDLDTDV-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663520083 411697408 /nfs/dbraw/zinc/69/74/08/411697408.db2.gz HHHRFVGHGPINBB-JTQLQIEISA-N 1 2 227.311 2.663 20 0 BFADLO CCc1nc(C)c(COc2cc[nH+]cc2)o1 ZINC000664014746 411814049 /nfs/dbraw/zinc/81/40/49/411814049.db2.gz DNCQTQADVXZYBS-UHFFFAOYSA-N 1 2 218.256 2.519 20 0 BFADLO Cc1ccc(Cn2ccc(C(C)(C)C)n2)c[nH+]1 ZINC000664041097 411817598 /nfs/dbraw/zinc/81/75/98/411817598.db2.gz ALJAKAHHRXTMDE-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO Cn1c[nH+]cc1COc1cccc(OC2CC2)c1 ZINC000664135836 411866098 /nfs/dbraw/zinc/86/60/98/411866098.db2.gz OPLGZYFMGGXAND-UHFFFAOYSA-N 1 2 244.294 2.540 20 0 BFADLO CC[C@H](COc1ccc2c(c1)[nH+]c(C)n2C)OC ZINC000664046894 411827418 /nfs/dbraw/zinc/82/74/18/411827418.db2.gz RVRXNMPNUIDWKF-LLVKDONJSA-N 1 2 248.326 2.686 20 0 BFADLO CCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664052893 411831075 /nfs/dbraw/zinc/83/10/75/411831075.db2.gz GHYDBNAQKSCJPZ-UHFFFAOYSA-N 1 2 204.273 2.671 20 0 BFADLO Cc1nc(N2C[C@@H]3CCCC[C@@H]32)c(C)c(C)[nH+]1 ZINC000664083159 411845635 /nfs/dbraw/zinc/84/56/35/411845635.db2.gz NUQQXTYTTGCDNC-STQMWFEESA-N 1 2 231.343 2.781 20 0 BFADLO FCCC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661734036 411860288 /nfs/dbraw/zinc/86/02/88/411860288.db2.gz NSTHNMZFQMJIKT-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661734036 411860291 /nfs/dbraw/zinc/86/02/91/411860291.db2.gz NSTHNMZFQMJIKT-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661734035 411861411 /nfs/dbraw/zinc/86/14/11/411861411.db2.gz NSTHNMZFQMJIKT-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661734035 411861412 /nfs/dbraw/zinc/86/14/12/411861412.db2.gz NSTHNMZFQMJIKT-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cscn1 ZINC000664262433 411904042 /nfs/dbraw/zinc/90/40/42/411904042.db2.gz WEZOKIFSTYIQFK-MRVPVSSYSA-N 1 2 246.339 2.984 20 0 BFADLO CCc1cc(NC[C@H](C)c2ccccn2)nc[nH+]1 ZINC000664148532 411872940 /nfs/dbraw/zinc/87/29/40/411872940.db2.gz LOQPXZLYNLTFGP-NSHDSACASA-N 1 2 242.326 2.650 20 0 BFADLO COCC1(Nc2cc[nH+]c(C3CC3)n2)CCCC1 ZINC000664159386 411875323 /nfs/dbraw/zinc/87/53/23/411875323.db2.gz DZTFVTXJXOQLSG-UHFFFAOYSA-N 1 2 247.342 2.725 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@]23C[C@H]2CCC3)[nH+]1 ZINC000664162651 411876741 /nfs/dbraw/zinc/87/67/41/411876741.db2.gz XVJJUHJBSXOLIB-NOZJJQNGSA-N 1 2 228.299 2.621 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C)n2)C1 ZINC000664472650 411968785 /nfs/dbraw/zinc/96/87/85/411968785.db2.gz OJMGGHHCYRZXBT-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@@H]2C[C@@H]2C1 ZINC000664526851 411977331 /nfs/dbraw/zinc/97/73/31/411977331.db2.gz YEZZWFXJKQWCKN-NXEZZACHSA-N 1 2 245.301 2.559 20 0 BFADLO C[C@@H](c1ccccc1)[C@@H](O)CNc1cccc[nH+]1 ZINC000664611215 411997959 /nfs/dbraw/zinc/99/79/59/411997959.db2.gz BPSQUVBKKLXJFD-JSGCOSHPSA-N 1 2 242.322 2.658 20 0 BFADLO C[C@@H](Nc1ncc(Cl)s1)c1[nH+]ccn1C ZINC000664609057 411998651 /nfs/dbraw/zinc/99/86/51/411998651.db2.gz URCYOYAEQMZDFZ-ZCFIWIBFSA-N 1 2 242.735 2.703 20 0 BFADLO CC1(C)CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000664629450 412002189 /nfs/dbraw/zinc/00/21/89/412002189.db2.gz ULZVBCMLMFKDDN-UHFFFAOYSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)CC1(F)F ZINC000664399307 411944335 /nfs/dbraw/zinc/94/43/35/411944335.db2.gz HEYGUIBUFNJBCN-LLVKDONJSA-N 1 2 239.269 2.811 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000664435955 411955839 /nfs/dbraw/zinc/95/58/39/411955839.db2.gz CPOPRGGGPGMJLD-GFCCVEGCSA-N 1 2 227.311 2.652 20 0 BFADLO Cc1nc(N[C@@H]2CCc3ccc(O)cc32)cc[nH+]1 ZINC000664453262 411961501 /nfs/dbraw/zinc/96/15/01/411961501.db2.gz YVKZWGMKKJPOAN-CYBMUJFWSA-N 1 2 241.294 2.590 20 0 BFADLO Cc1nnc(C[N@H+](C)CCCC2CCC2)s1 ZINC000662254997 412048213 /nfs/dbraw/zinc/04/82/13/412048213.db2.gz NETOCRNSMAHMBO-UHFFFAOYSA-N 1 2 239.388 2.859 20 0 BFADLO Cc1nnc(C[N@@H+](C)CCCC2CCC2)s1 ZINC000662254997 412048216 /nfs/dbraw/zinc/04/82/16/412048216.db2.gz NETOCRNSMAHMBO-UHFFFAOYSA-N 1 2 239.388 2.859 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C(C)(C)C)n1 ZINC000664981311 412055162 /nfs/dbraw/zinc/05/51/62/412055162.db2.gz MGZVQOSRXZFPJH-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CC(C)C)n1 ZINC000664980516 412055678 /nfs/dbraw/zinc/05/56/78/412055678.db2.gz QBCXUYKWFKULPB-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO CC[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000336730129 171002603 /nfs/dbraw/zinc/00/26/03/171002603.db2.gz JRVXNWDVXOSIKS-GHMZBOCLSA-N 1 2 205.305 2.776 20 0 BFADLO CC[C@@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119595884 171005072 /nfs/dbraw/zinc/00/50/72/171005072.db2.gz UFQONJQQYDQUQS-LLVKDONJSA-N 1 2 233.315 2.654 20 0 BFADLO CC[C@@H]1CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301637563 171016298 /nfs/dbraw/zinc/01/62/98/171016298.db2.gz AJUAVADAKRMFRJ-GFCCVEGCSA-N 1 2 219.332 2.638 20 0 BFADLO CC[C@@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000308964806 171185767 /nfs/dbraw/zinc/18/57/67/171185767.db2.gz URHBWUZQRGRJES-LLVKDONJSA-N 1 2 228.723 2.616 20 0 BFADLO CC[C@@]1(C)CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000276076653 171204606 /nfs/dbraw/zinc/20/46/06/171204606.db2.gz UDPMIUUUFDQGDU-AWEZNQCLSA-N 1 2 245.326 2.568 20 0 BFADLO CC[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361062868 171241774 /nfs/dbraw/zinc/24/17/74/171241774.db2.gz NTSVLHFMOHEWQE-ZWNOBZJWSA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361062868 171241775 /nfs/dbraw/zinc/24/17/75/171241775.db2.gz NTSVLHFMOHEWQE-ZWNOBZJWSA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361062866 171242003 /nfs/dbraw/zinc/24/20/03/171242003.db2.gz NTSVLHFMOHEWQE-GXFFZTMASA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361062866 171242005 /nfs/dbraw/zinc/24/20/05/171242005.db2.gz NTSVLHFMOHEWQE-GXFFZTMASA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@H](C)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000354561069 171264796 /nfs/dbraw/zinc/26/47/96/171264796.db2.gz MZKOYJPTLAJKBX-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@@H](NC(=O)CC[C@@H](C)CC)c1[nH]cc[nH+]1 ZINC000354762730 171268327 /nfs/dbraw/zinc/26/83/27/171268327.db2.gz BLPFTXDAKWBRFG-WDEREUQCSA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@H](C)C[NH2+][C@H](C(=O)OC)c1cccs1 ZINC000336673143 171287060 /nfs/dbraw/zinc/28/70/60/171287060.db2.gz AYFXISYWGXYUGL-ONGXEEELSA-N 1 2 241.356 2.598 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357519494 171383614 /nfs/dbraw/zinc/38/36/14/171383614.db2.gz OVTJPEJXNDXKQV-SRVKXCTJSA-N 1 2 249.358 2.755 20 0 BFADLO Cn1cc(Cl)c(C[N@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662342948 412112215 /nfs/dbraw/zinc/11/22/15/412112215.db2.gz GSWCKZGUCXPFLO-VIFPVBQESA-N 1 2 241.766 2.551 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+](C)C[C@@H]2CC2(C)C)n1 ZINC000662342948 412112219 /nfs/dbraw/zinc/11/22/19/412112219.db2.gz GSWCKZGUCXPFLO-VIFPVBQESA-N 1 2 241.766 2.551 20 0 BFADLO Cc1cc(N)nc(SC[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000663235352 412397152 /nfs/dbraw/zinc/39/71/52/412397152.db2.gz IIORABFPHRBRKG-ILWJIGKKSA-N 1 2 235.356 2.505 20 0 BFADLO CCc1nc([C@@H](C)Nc2cc[nH+]c(C)n2)cs1 ZINC000266393895 172002620 /nfs/dbraw/zinc/00/26/20/172002620.db2.gz OMETZPPMSZWKDX-MRVPVSSYSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1nc([C@@H](C)Nc2cc(C)[nH+]cn2)cs1 ZINC000301249807 172002915 /nfs/dbraw/zinc/00/29/15/172002915.db2.gz MDDZHOGEMGKVMK-SECBINFHSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccccc2)s1 ZINC000273134895 172054248 /nfs/dbraw/zinc/05/42/48/172054248.db2.gz JDYUCCBIRALQNB-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CCc1nocc1C[N@@H+]1CCc2sccc2C1 ZINC000336322701 172097313 /nfs/dbraw/zinc/09/73/13/172097313.db2.gz NUCGODMUEWNORQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1nocc1C[N@H+]1CCc2sccc2C1 ZINC000336322701 172097315 /nfs/dbraw/zinc/09/73/15/172097315.db2.gz NUCGODMUEWNORQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336720089 172220792 /nfs/dbraw/zinc/22/07/92/172220792.db2.gz WHXINDAUJXCZGG-ZDUSSCGKSA-N 1 2 244.342 2.568 20 0 BFADLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000336720089 172220794 /nfs/dbraw/zinc/22/07/94/172220794.db2.gz WHXINDAUJXCZGG-ZDUSSCGKSA-N 1 2 244.342 2.568 20 0 BFADLO CCn1cc[nH+]c1CNc1ncccc1Cl ZINC000285193253 172226161 /nfs/dbraw/zinc/22/61/61/172226161.db2.gz NWQFUAASZXUTPQ-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(C)c1F ZINC000306040025 172233656 /nfs/dbraw/zinc/23/36/56/172233656.db2.gz YLPGFOVSDYGZTC-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1nc(C)c(Nc2cc(C)[nH+]c(C)n2)c1C ZINC000132954365 172248615 /nfs/dbraw/zinc/24/86/15/172248615.db2.gz ZVMNPJSMPNUUHZ-UHFFFAOYSA-N 1 2 245.330 2.670 20 0 BFADLO CN(CC(C)(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000264680435 172623904 /nfs/dbraw/zinc/62/39/04/172623904.db2.gz UNJGHAUYHUFPEO-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CN(CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000182687542 172722187 /nfs/dbraw/zinc/72/21/87/172722187.db2.gz HVJFHKOCWZZHLD-UHFFFAOYSA-N 1 2 233.290 2.549 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000227202391 173807020 /nfs/dbraw/zinc/80/70/20/173807020.db2.gz JLUCTUIWRPNYPV-KWCYVHTRSA-N 1 2 247.338 2.679 20 0 BFADLO COC1(CNc2c[nH+]ccc2C)CCCC1 ZINC000309619615 174006582 /nfs/dbraw/zinc/00/65/82/174006582.db2.gz DWDJAISEQFAKKU-UHFFFAOYSA-N 1 2 220.316 2.761 20 0 BFADLO COC1CCC([NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000129960127 174024448 /nfs/dbraw/zinc/02/44/48/174024448.db2.gz CVAFIPPBYXPKAA-UHFFFAOYSA-N 1 2 247.338 2.991 20 0 BFADLO COC1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000164260117 174024511 /nfs/dbraw/zinc/02/45/11/174024511.db2.gz DWNPGEBTZSSOLV-UHFFFAOYSA-N 1 2 220.316 2.760 20 0 BFADLO COCC1(CCNc2cccc[nH+]2)CCC1 ZINC000338735825 174096345 /nfs/dbraw/zinc/09/63/45/174096345.db2.gz IHOARMUFUTWUOT-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO COCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292664747 174249430 /nfs/dbraw/zinc/24/94/30/174249430.db2.gz IUHDOINJFLHBSW-NSHDSACASA-N 1 2 229.270 2.619 20 0 BFADLO COCCCNc1cc[nH+]c2c(OC)cccc12 ZINC000275424548 174252443 /nfs/dbraw/zinc/25/24/43/174252443.db2.gz CFSFCSTVZMECHF-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@@H](C)CC(C)C ZINC000337148106 174288894 /nfs/dbraw/zinc/28/88/94/174288894.db2.gz ZVVUGCRBVCSONX-NSHDSACASA-N 1 2 237.334 2.882 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@@H](C)CC(C)C ZINC000337148106 174288895 /nfs/dbraw/zinc/28/88/95/174288895.db2.gz ZVVUGCRBVCSONX-NSHDSACASA-N 1 2 237.334 2.882 20 0 BFADLO COCCSCc1cn2cccc(C)c2[nH+]1 ZINC000173730949 174376758 /nfs/dbraw/zinc/37/67/58/174376758.db2.gz MISAKMQVXOXFNQ-UHFFFAOYSA-N 1 2 236.340 2.522 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000045019464 174386838 /nfs/dbraw/zinc/38/68/38/174386838.db2.gz WSASYGWMEAEIJP-LLVKDONJSA-N 1 2 222.332 2.590 20 0 BFADLO COCC[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000045019464 174386839 /nfs/dbraw/zinc/38/68/39/174386839.db2.gz WSASYGWMEAEIJP-LLVKDONJSA-N 1 2 222.332 2.590 20 0 BFADLO COc1ccc(-c2ccc(N)[nH+]c2)cc1Cl ZINC000052886423 175033903 /nfs/dbraw/zinc/03/39/03/175033903.db2.gz MXVMJGDILOLAHZ-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO COc1ccc(-c2c[nH+]c(N)c(C)c2)cc1F ZINC000082730052 175035629 /nfs/dbraw/zinc/03/56/29/175035629.db2.gz ZRHYVZRLMOOHLC-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO COc1ccc(C)cc1Nc1ccc(N)[nH+]c1 ZINC000019951926 175079130 /nfs/dbraw/zinc/07/91/30/175079130.db2.gz NUNKZJRDGPLUDE-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000036961275 175079403 /nfs/dbraw/zinc/07/94/03/175079403.db2.gz UKFHPLLVAWZSOC-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000049715000 175081043 /nfs/dbraw/zinc/08/10/43/175081043.db2.gz XXFVTMHXZNGQKH-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054764373 175081630 /nfs/dbraw/zinc/08/16/30/175081630.db2.gz MIRFTLIQCXXQSN-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(F)cc1N[C@@H]1CCn2cc[nH+]c21 ZINC000296851265 175132230 /nfs/dbraw/zinc/13/22/30/175132230.db2.gz NEUKNUDTYNXRRV-SNVBAGLBSA-N 1 2 247.273 2.588 20 0 BFADLO COc1cccc(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353185864 175258991 /nfs/dbraw/zinc/25/89/91/175258991.db2.gz UFJLXZKYFWOTJZ-GFCCVEGCSA-N 1 2 241.281 2.925 20 0 BFADLO COc1cccc(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353185864 175258992 /nfs/dbraw/zinc/25/89/92/175258992.db2.gz UFJLXZKYFWOTJZ-GFCCVEGCSA-N 1 2 241.281 2.925 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)c2cc(C)on2)c1 ZINC000282790764 175267835 /nfs/dbraw/zinc/26/78/35/175267835.db2.gz WMRRGHHRQFAJQH-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000274450191 175326234 /nfs/dbraw/zinc/32/62/34/175326234.db2.gz FCCBHUCUMAGGKV-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO COc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000274450191 175326236 /nfs/dbraw/zinc/32/62/36/175326236.db2.gz FCCBHUCUMAGGKV-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO COc1ccccc1C[NH2+]Cc1csc(C)n1 ZINC000020252855 175330657 /nfs/dbraw/zinc/33/06/57/175330657.db2.gz KTJNRBUGQHUHKC-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO COc1ccccc1SCc1c[nH+]cn1C ZINC000267118619 175343215 /nfs/dbraw/zinc/34/32/15/175343215.db2.gz CTMMLZVPZJOGCY-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO COc1cc[nH+]c(CN2Cc3ccccc3C2)c1 ZINC000106861007 175359961 /nfs/dbraw/zinc/35/99/61/175359961.db2.gz HZOBRVXAGHQNFJ-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccnc(C[NH+]2Cc3ccccc3C2)c1 ZINC000106861007 175359964 /nfs/dbraw/zinc/35/99/64/175359964.db2.gz HZOBRVXAGHQNFJ-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cc[nH+]cc1COc1ccccc1OC ZINC000341174727 175372732 /nfs/dbraw/zinc/37/27/32/175372732.db2.gz LQTOGRXKOQEHNE-UHFFFAOYSA-N 1 2 245.278 2.678 20 0 BFADLO COc1cc[nH+]cc1CS[C@@H]1CCO[C@H]1C ZINC000286559072 175373348 /nfs/dbraw/zinc/37/33/48/175373348.db2.gz PUVRDUQJRYORMZ-JOYOIKCWSA-N 1 2 239.340 2.501 20 0 BFADLO COc1cc[nH+]cc1CSCC1CC1 ZINC000341930984 175373415 /nfs/dbraw/zinc/37/34/15/175373415.db2.gz UNTXMDHUZJXRFZ-UHFFFAOYSA-N 1 2 209.314 2.733 20 0 BFADLO COc1cc[nH+]cc1CS[C@H]1CCO[C@@H]1C ZINC000286559073 175374041 /nfs/dbraw/zinc/37/40/41/175374041.db2.gz PUVRDUQJRYORMZ-SKDRFNHKSA-N 1 2 239.340 2.501 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000184690010 175374400 /nfs/dbraw/zinc/37/44/00/175374400.db2.gz VDJCFKMZIPOVTA-MNOVXSKESA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000126581173 175374925 /nfs/dbraw/zinc/37/49/25/175374925.db2.gz ONSKIUZPRMHZAH-GHMZBOCLSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC12CCCC2 ZINC000336496871 175375230 /nfs/dbraw/zinc/37/52/30/175375230.db2.gz RCRWNWPMEDNLRA-JTQLQIEISA-N 1 2 246.310 2.609 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1CCCCCC1 ZINC000101821976 175375851 /nfs/dbraw/zinc/37/58/51/175375851.db2.gz BNSOSGKAZGSGHP-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO COc1cc[nH+]cc1NC[C@@H]1CC=CCC1 ZINC000125722322 175376115 /nfs/dbraw/zinc/37/61/15/175376115.db2.gz QDHBAOHDWGGERY-LLVKDONJSA-N 1 2 218.300 2.858 20 0 BFADLO COc1cc[nH+]cc1NCc1ccc(Cl)o1 ZINC000309725574 175376148 /nfs/dbraw/zinc/37/61/48/175376148.db2.gz XTNHNYPSGIHQEA-UHFFFAOYSA-N 1 2 238.674 2.949 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)on1 ZINC000270656591 487631740 /nfs/dbraw/zinc/63/17/40/487631740.db2.gz NGENGVRLZFDYDD-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)on1 ZINC000270656591 487631744 /nfs/dbraw/zinc/63/17/44/487631744.db2.gz NGENGVRLZFDYDD-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000049693868 176024695 /nfs/dbraw/zinc/02/46/95/176024695.db2.gz GELWZRFEYYAPCB-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000049693868 176024697 /nfs/dbraw/zinc/02/46/97/176024697.db2.gz GELWZRFEYYAPCB-MNOVXSKESA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccco1)N(Cc1[nH+]ccn1C)C1CC1 ZINC000086234566 176032436 /nfs/dbraw/zinc/03/24/36/176032436.db2.gz NQOXRRNJTBGAMJ-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H]1CCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000359931212 176127903 /nfs/dbraw/zinc/12/79/03/176127903.db2.gz IZODPXYQEXZXLK-ZYHUDNBSSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000301496384 176181917 /nfs/dbraw/zinc/18/19/17/176181917.db2.gz TYWSYLPRAMQLGF-NXEZZACHSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@@H]1CC[C@@H](CSc2[nH+]cc3ccccn32)O1 ZINC000189987742 176206323 /nfs/dbraw/zinc/20/63/23/176206323.db2.gz FSBQICQYBVTSMC-PWSUYJOCSA-N 1 2 248.351 2.994 20 0 BFADLO C[C@@H]1C[N@H+](CCc2cccc(Cl)c2)CCO1 ZINC000297279931 176293729 /nfs/dbraw/zinc/29/37/29/176293729.db2.gz AAXJMFYLHUIWGL-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CCO1 ZINC000297279931 176293730 /nfs/dbraw/zinc/29/37/30/176293730.db2.gz AAXJMFYLHUIWGL-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000299019368 176316477 /nfs/dbraw/zinc/31/64/77/176316477.db2.gz FVULVPQRRQBQGQ-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](C)C1 ZINC000299019368 176316479 /nfs/dbraw/zinc/31/64/79/176316479.db2.gz FVULVPQRRQBQGQ-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000270567413 176321146 /nfs/dbraw/zinc/32/11/46/176321146.db2.gz LZWRGMUIGPWHLE-AOOOYVTPSA-N 1 2 215.300 2.655 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H](C)S1 ZINC000301885962 176321234 /nfs/dbraw/zinc/32/12/34/176321234.db2.gz OWWWXXWQYUPXHT-NXEZZACHSA-N 1 2 247.367 2.893 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000270567416 176321239 /nfs/dbraw/zinc/32/12/39/176321239.db2.gz LZWRGMUIGPWHLE-NXEZZACHSA-N 1 2 215.300 2.655 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000336663885 176397374 /nfs/dbraw/zinc/39/73/74/176397374.db2.gz UJARBAVOWHEEGG-VDAHYXPESA-N 1 2 207.239 2.573 20 0 BFADLO C[C@@H]1Oc2ccc([NH2+]CC(C)(C)C)cc2NC1=O ZINC000041120375 176486701 /nfs/dbraw/zinc/48/67/01/176486701.db2.gz KNIRFAWCNULDRZ-VIFPVBQESA-N 1 2 248.326 2.864 20 0 BFADLO C[C@H](CCO)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354343069 176633133 /nfs/dbraw/zinc/63/31/33/176633133.db2.gz INTLLHMYLYQKRG-SNVBAGLBSA-N 1 2 248.301 2.804 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1CCC=C(F)C1 ZINC000272395613 177044914 /nfs/dbraw/zinc/04/49/14/177044914.db2.gz DGRCMOZKXBQYQW-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1CCC=C(F)C1 ZINC000272395613 177044915 /nfs/dbraw/zinc/04/49/15/177044915.db2.gz DGRCMOZKXBQYQW-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1ccon1 ZINC000157592141 177049440 /nfs/dbraw/zinc/04/94/40/177049440.db2.gz ZFLMUIIGMZTCLZ-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1ccon1 ZINC000157592141 177049441 /nfs/dbraw/zinc/04/94/41/177049441.db2.gz ZFLMUIIGMZTCLZ-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1ccncc1)[N@H+](C)Cc1cscn1 ZINC000171920906 177050025 /nfs/dbraw/zinc/05/00/25/177050025.db2.gz HBDDEKSZLWVQJN-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1cscn1 ZINC000171920906 177050027 /nfs/dbraw/zinc/05/00/27/177050027.db2.gz HBDDEKSZLWVQJN-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H]1CC[N@H+](CCCCF)CC1(F)F ZINC000352403235 177160523 /nfs/dbraw/zinc/16/05/23/177160523.db2.gz STXAMSOPMMFHGN-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO C[C@H]1CC[N@@H+](CCCCF)CC1(F)F ZINC000352403235 177160524 /nfs/dbraw/zinc/16/05/24/177160524.db2.gz STXAMSOPMMFHGN-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO C[C@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283284500 177121331 /nfs/dbraw/zinc/12/13/31/177121331.db2.gz WNAQYNFBXRYSNM-ADYIUWEDSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000179866089 177241033 /nfs/dbraw/zinc/24/10/33/177241033.db2.gz BNDVOCWTSVBNCT-JDGPPOGSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000179866089 177241035 /nfs/dbraw/zinc/24/10/35/177241035.db2.gz BNDVOCWTSVBNCT-JDGPPOGSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@H+](CCCCC(F)(F)F)CCC1=O ZINC000124384110 177248235 /nfs/dbraw/zinc/24/82/35/177248235.db2.gz UONPHHVFKCKHRH-VIFPVBQESA-N 1 2 237.265 2.630 20 0 BFADLO C[C@H]1C[N@@H+](CCCCC(F)(F)F)CCC1=O ZINC000124384110 177248238 /nfs/dbraw/zinc/24/82/38/177248238.db2.gz UONPHHVFKCKHRH-VIFPVBQESA-N 1 2 237.265 2.630 20 0 BFADLO C[C@H]1C[N@H+](Cc2cccc(F)c2F)[C@@H](C)CO1 ZINC000247962178 177265002 /nfs/dbraw/zinc/26/50/02/177265002.db2.gz PCWFNPDPVCFVDE-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cccc(F)c2F)[C@@H](C)CO1 ZINC000247962178 177265003 /nfs/dbraw/zinc/26/50/03/177265003.db2.gz PCWFNPDPVCFVDE-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnns2)[C@H]1c1ccccc1 ZINC000290106442 177268740 /nfs/dbraw/zinc/26/87/40/177268740.db2.gz SKFWSVYKQGQIKT-GXFFZTMASA-N 1 2 245.351 2.731 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnns2)[C@H]1c1ccccc1 ZINC000290106442 177268741 /nfs/dbraw/zinc/26/87/41/177268741.db2.gz SKFWSVYKQGQIKT-GXFFZTMASA-N 1 2 245.351 2.731 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnc(Cl)s2)[C@H]1C ZINC000293016253 177269477 /nfs/dbraw/zinc/26/94/77/177269477.db2.gz OLMSOHPICXDAFI-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)s2)[C@H]1C ZINC000293016253 177269478 /nfs/dbraw/zinc/26/94/78/177269478.db2.gz OLMSOHPICXDAFI-BQBZGAKWSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@H]1C[N@H+](Cc2nc(-c3cccs3)no2)[C@H]1C ZINC000293003304 177270288 /nfs/dbraw/zinc/27/02/88/177270288.db2.gz NFUULZHUAULOMQ-IUCAKERBSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)[C@H]1C ZINC000293003304 177270291 /nfs/dbraw/zinc/27/02/91/177270291.db2.gz NFUULZHUAULOMQ-IUCAKERBSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000293003301 177271355 /nfs/dbraw/zinc/27/13/55/177271355.db2.gz NFUULZHUAULOMQ-DTWKUNHWSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000293003301 177271356 /nfs/dbraw/zinc/27/13/56/177271356.db2.gz NFUULZHUAULOMQ-DTWKUNHWSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)[C@H]1C ZINC000293559016 177271508 /nfs/dbraw/zinc/27/15/08/177271508.db2.gz ZYFSYGAQHIAADR-QWRGUYRKSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@H]1C ZINC000293559016 177271509 /nfs/dbraw/zinc/27/15/09/177271509.db2.gz ZYFSYGAQHIAADR-QWRGUYRKSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@H]1C[N@H+](Cc2noc(-c3ccsc3)n2)[C@H]1C ZINC000293514204 177271906 /nfs/dbraw/zinc/27/19/06/177271906.db2.gz VJSUZYNBYRVTIM-IUCAKERBSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@H]1C[N@@H+](Cc2noc(-c3ccsc3)n2)[C@H]1C ZINC000293514204 177271907 /nfs/dbraw/zinc/27/19/07/177271907.db2.gz VJSUZYNBYRVTIM-IUCAKERBSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693851 177274353 /nfs/dbraw/zinc/27/43/53/177274353.db2.gz XRYSSULSFHJYHC-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693851 177274355 /nfs/dbraw/zinc/27/43/55/177274355.db2.gz XRYSSULSFHJYHC-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000091810486 177292556 /nfs/dbraw/zinc/29/25/56/177292556.db2.gz VLECTBPFACTUAL-MDZLAQPJSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000091810486 177292557 /nfs/dbraw/zinc/29/25/57/177292557.db2.gz VLECTBPFACTUAL-MDZLAQPJSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1COCC[C@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000192687883 177297454 /nfs/dbraw/zinc/29/74/54/177297454.db2.gz STKRKIOKPSLUBR-SMDDNHRTSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)c2nccn21 ZINC000293574988 177332008 /nfs/dbraw/zinc/33/20/08/177332008.db2.gz AFLJSKGAVTXXGO-GXFFZTMASA-N 1 2 245.301 2.818 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc[nH]n1 ZINC000295106565 177354961 /nfs/dbraw/zinc/35/49/61/177354961.db2.gz VPYMXJHNYUSQNR-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc[nH]n1 ZINC000295106565 177354962 /nfs/dbraw/zinc/35/49/62/177354962.db2.gz VPYMXJHNYUSQNR-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1ncc(C(C)(C)C)o1 ZINC000336622736 177360777 /nfs/dbraw/zinc/36/07/77/177360777.db2.gz GMFPCSMTNJTCBC-UWVGGRQHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348519 177372833 /nfs/dbraw/zinc/37/28/33/177372833.db2.gz XBUWARHBSHTCHX-WCQYABFASA-N 1 2 234.343 2.732 20 0 BFADLO C[C@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348519 177372835 /nfs/dbraw/zinc/37/28/35/177372835.db2.gz XBUWARHBSHTCHX-WCQYABFASA-N 1 2 234.343 2.732 20 0 BFADLO C[C@H]1[N@H+](Cc2ccc(Cl)o2)CCOC1(C)C ZINC000353872406 177392664 /nfs/dbraw/zinc/39/26/64/177392664.db2.gz VQVUBQLPASKLMO-SECBINFHSA-N 1 2 243.734 2.932 20 0 BFADLO C[C@H]1[N@@H+](Cc2ccc(Cl)o2)CCOC1(C)C ZINC000353872406 177392666 /nfs/dbraw/zinc/39/26/66/177392666.db2.gz VQVUBQLPASKLMO-SECBINFHSA-N 1 2 243.734 2.932 20 0 BFADLO Fc1ccc([C@@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000674870610 487639439 /nfs/dbraw/zinc/63/94/39/487639439.db2.gz QFKMWBYFXPZFQX-SNVBAGLBSA-N 1 2 229.245 2.880 20 0 BFADLO Fc1ccc([C@@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000674870610 487639446 /nfs/dbraw/zinc/63/94/46/487639446.db2.gz QFKMWBYFXPZFQX-SNVBAGLBSA-N 1 2 229.245 2.880 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+]C1CCCCC1 ZINC000478240908 225166360 /nfs/dbraw/zinc/16/63/60/225166360.db2.gz UNYNIXUREJOMCZ-UHFFFAOYSA-N 1 2 247.317 2.879 20 0 BFADLO Cc1c[nH+]cc(NC/C=C/c2ccncc2)c1 ZINC000487568807 225314451 /nfs/dbraw/zinc/31/44/51/225314451.db2.gz GWOJGANZQRZLFU-NSCUHMNNSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1C ZINC000493414140 226209149 /nfs/dbraw/zinc/20/91/49/226209149.db2.gz BLUMFXKVFBPRHX-AATRIKPKSA-N 1 2 241.294 2.678 20 0 BFADLO O=C(OC1CCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000496018615 226294654 /nfs/dbraw/zinc/29/46/54/226294654.db2.gz DRMBOIPYCVUXBD-NSHDSACASA-N 1 2 249.314 2.626 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1)C(F)F ZINC000228487016 487657807 /nfs/dbraw/zinc/65/78/07/487657807.db2.gz IBYUXEOZHOPGLV-SSDOTTSWSA-N 1 2 203.207 2.569 20 0 BFADLO CC[C@@H](C)CSc1cc(-n2cc[nH+]c2)ncn1 ZINC000674934603 487658711 /nfs/dbraw/zinc/65/87/11/487658711.db2.gz RJCLBQMNLKTUIH-SNVBAGLBSA-N 1 2 248.355 2.801 20 0 BFADLO COc1cccc([C@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000228505599 487667547 /nfs/dbraw/zinc/66/75/47/487667547.db2.gz UFSQHUHHDGSUGX-DTWKUNHWSA-N 1 2 229.270 2.999 20 0 BFADLO Cn1cc[nH+]c1CN1CC(C)(C)c2ccccc21 ZINC000675126644 487672680 /nfs/dbraw/zinc/67/26/80/487672680.db2.gz GESFWXFMQXIBLN-UHFFFAOYSA-N 1 2 241.338 2.718 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000097039964 487688061 /nfs/dbraw/zinc/68/80/61/487688061.db2.gz YYEMLWYSENCWTG-CPCISQLKSA-N 1 2 218.300 2.601 20 0 BFADLO C[C@@H]([NH2+]Cc1nccn1C)c1ccccc1Cl ZINC000042224949 487691625 /nfs/dbraw/zinc/69/16/25/487691625.db2.gz INOQOKLWEBOIDE-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO C[C@@H](C[C@H]1CCOC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000675292535 487692249 /nfs/dbraw/zinc/69/22/49/487692249.db2.gz ZCAFSNKOMFRRCQ-WDEREUQCSA-N 1 2 247.342 2.581 20 0 BFADLO C[C@@H](C[C@@H]1CCOC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000675292534 487692369 /nfs/dbraw/zinc/69/23/69/487692369.db2.gz ZCAFSNKOMFRRCQ-QWRGUYRKSA-N 1 2 247.342 2.581 20 0 BFADLO Cc1ncc(C[NH2+]Cc2cc(C)ccc2F)o1 ZINC000397993362 262941496 /nfs/dbraw/zinc/94/14/96/262941496.db2.gz QSMIKINUVOJFSG-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1cccc(C2CC2)c1 ZINC000668422297 487727662 /nfs/dbraw/zinc/72/76/62/487727662.db2.gz XQZRPMYUGXEISE-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc(C2CC2)c1 ZINC000668422297 487727666 /nfs/dbraw/zinc/72/76/66/487727666.db2.gz XQZRPMYUGXEISE-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C/C=C\C[C@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000681152539 487737572 /nfs/dbraw/zinc/73/75/72/487737572.db2.gz JSYUOYRBOGQASB-ISALQUGTSA-N 1 2 249.358 2.513 20 0 BFADLO CC1(C)[NH2+]C2(CCCC2)N(c2ccccc2)C1=O ZINC000666179787 487745924 /nfs/dbraw/zinc/74/59/24/487745924.db2.gz CFQNHQCWLJLGFU-UHFFFAOYSA-N 1 2 244.338 2.672 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC[C@H]2F)[nH+]1 ZINC000665748515 487754108 /nfs/dbraw/zinc/75/41/08/487754108.db2.gz YFQGGILJWMYFSX-GHMZBOCLSA-N 1 2 248.305 2.959 20 0 BFADLO COc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)[nH+]c1 ZINC000665749097 487754876 /nfs/dbraw/zinc/75/48/76/487754876.db2.gz YIYDGUSESWHROP-CBAPKCEASA-N 1 2 228.242 2.546 20 0 BFADLO CC[C@H](COC)Nc1c[nH+]cc2c1CCCC2 ZINC000668440163 487758174 /nfs/dbraw/zinc/75/81/74/487758174.db2.gz JYVNFQHXTHIKKS-GFCCVEGCSA-N 1 2 234.343 2.797 20 0 BFADLO COC[C@@H](C)CNc1c[nH+]cc2c1CCCC2 ZINC000668441949 487760201 /nfs/dbraw/zinc/76/02/01/487760201.db2.gz XSOAOKPJPGIENX-NSHDSACASA-N 1 2 234.343 2.655 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000234115483 487762502 /nfs/dbraw/zinc/76/25/02/487762502.db2.gz DQTQLOCCEDBXOV-VIFPVBQESA-N 1 2 213.271 2.992 20 0 BFADLO c1cc(N2CC[C@@H](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000665755566 487765627 /nfs/dbraw/zinc/76/56/27/487765627.db2.gz CIUYELXPDQFNBZ-CYBMUJFWSA-N 1 2 243.354 2.980 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccc(C)nc2)C1 ZINC000459588925 487774795 /nfs/dbraw/zinc/77/47/95/487774795.db2.gz HHULFDQALUJKPJ-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C[C@H]1F ZINC000679219383 487782572 /nfs/dbraw/zinc/78/25/72/487782572.db2.gz CPYUAAYULWIUIU-WCQYABFASA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cn3ccccc3n2)C[C@H]1F ZINC000679219383 487782577 /nfs/dbraw/zinc/78/25/77/487782577.db2.gz CPYUAAYULWIUIU-WCQYABFASA-N 1 2 247.317 2.514 20 0 BFADLO Cc1cccc(C[N@H+](C)C/C=C/Cl)n1 ZINC000767900111 585527846 /nfs/dbraw/zinc/52/78/46/585527846.db2.gz OXROGGWUJREAJG-QPJJXVBHSA-N 1 2 210.708 2.574 20 0 BFADLO Cc1cccc(C[N@@H+](C)C/C=C/Cl)n1 ZINC000767900111 585527847 /nfs/dbraw/zinc/52/78/47/585527847.db2.gz OXROGGWUJREAJG-QPJJXVBHSA-N 1 2 210.708 2.574 20 0 BFADLO CC(C)(O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000359855002 487790513 /nfs/dbraw/zinc/79/05/13/487790513.db2.gz RTMGUJVUCNVQEB-UHFFFAOYSA-N 1 2 248.301 2.947 20 0 BFADLO CC[C@H]1CCC[C@@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000340573761 487795056 /nfs/dbraw/zinc/79/50/56/487795056.db2.gz FUMAXOXFJOFUQB-QWHCGFSZSA-N 1 2 248.370 2.624 20 0 BFADLO F[C@@H]1CCCC[C@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000666436863 487809454 /nfs/dbraw/zinc/80/94/54/487809454.db2.gz GSMKTCAOSAHPPX-DGCLKSJQSA-N 1 2 247.317 2.933 20 0 BFADLO CCC(C)(C)[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000666492776 487821104 /nfs/dbraw/zinc/82/11/04/487821104.db2.gz LMTDZJCBFBRWBM-LLVKDONJSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@](C)(NC(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000666490118 487821048 /nfs/dbraw/zinc/82/10/48/487821048.db2.gz MNVOPDBSELQAOD-AWEZNQCLSA-N 1 2 247.342 2.512 20 0 BFADLO Cc1ccc(C[N@H+](C)C/C=C\Cl)nc1 ZINC000831048171 587583667 /nfs/dbraw/zinc/58/36/67/587583667.db2.gz JDDOQGZCVLLNJP-UTCJRWHESA-N 1 2 210.708 2.574 20 0 BFADLO Cc1ccc(C[N@@H+](C)C/C=C\Cl)nc1 ZINC000831048171 587583669 /nfs/dbraw/zinc/58/36/69/587583669.db2.gz JDDOQGZCVLLNJP-UTCJRWHESA-N 1 2 210.708 2.574 20 0 BFADLO CCOC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000681672395 487836406 /nfs/dbraw/zinc/83/64/06/487836406.db2.gz CWNWIACQXMWGTA-JTQLQIEISA-N 1 2 237.347 2.611 20 0 BFADLO CCc1cc(NC2CC(C)(C)C2)nc[nH+]1 ZINC000395187604 487842112 /nfs/dbraw/zinc/84/21/12/487842112.db2.gz UQUHGYUFHYQFCI-UHFFFAOYSA-N 1 2 205.305 2.640 20 0 BFADLO COc1ccc([C@H](C)[N@H+](C)Cc2ccon2)cc1 ZINC000077250184 487846079 /nfs/dbraw/zinc/84/60/79/487846079.db2.gz FJWCYBOFYAVFKI-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@H](C)[N@@H+](C)Cc2ccon2)cc1 ZINC000077250184 487846082 /nfs/dbraw/zinc/84/60/82/487846082.db2.gz FJWCYBOFYAVFKI-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO c1cc2cc(NCc3ccccn3)[nH+]cc2[nH]1 ZINC000672140806 487868628 /nfs/dbraw/zinc/86/86/28/487868628.db2.gz YNSIMZKMHQWBJR-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(F)F ZINC000676709683 487894630 /nfs/dbraw/zinc/89/46/30/487894630.db2.gz RYCOOMFOQGKWQY-SKDRFNHKSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(F)F ZINC000676709683 487894636 /nfs/dbraw/zinc/89/46/36/487894636.db2.gz RYCOOMFOQGKWQY-SKDRFNHKSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1C[C@H](Nc2ccc(C)[nH+]c2)CCO1 ZINC000164789859 487895591 /nfs/dbraw/zinc/89/55/91/487895591.db2.gz UFORVHHGAKKKLD-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC=CCC1 ZINC000679323495 487904036 /nfs/dbraw/zinc/90/40/36/487904036.db2.gz YJXAEQIBWASUJG-JTQLQIEISA-N 1 2 235.331 2.690 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC=CCC1 ZINC000679323495 487904041 /nfs/dbraw/zinc/90/40/41/487904041.db2.gz YJXAEQIBWASUJG-JTQLQIEISA-N 1 2 235.331 2.690 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676794209 487930535 /nfs/dbraw/zinc/93/05/35/487930535.db2.gz ACZXALZBQIWGJM-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676794209 487930539 /nfs/dbraw/zinc/93/05/39/487930539.db2.gz ACZXALZBQIWGJM-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795783 487932681 /nfs/dbraw/zinc/93/26/81/487932681.db2.gz OYPJHNPRYAZTHG-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676795783 487932684 /nfs/dbraw/zinc/93/26/84/487932684.db2.gz OYPJHNPRYAZTHG-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO Nc1[nH+]cccc1COc1ccc2c(c1)CCC2 ZINC000052755259 487935522 /nfs/dbraw/zinc/93/55/22/487935522.db2.gz KBPGIEAFEGZMCQ-UHFFFAOYSA-N 1 2 240.306 2.732 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@]12C[C@H]1CCC2 ZINC000667062490 487935799 /nfs/dbraw/zinc/93/57/99/487935799.db2.gz GFJKWCAXIJTHSV-BXUZGUMPSA-N 1 2 245.326 2.763 20 0 BFADLO COCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000679359116 487937657 /nfs/dbraw/zinc/93/76/57/487937657.db2.gz KOTLOOJXVIOWGK-ZWNOBZJWSA-N 1 2 241.306 2.606 20 0 BFADLO COCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000679359116 487937661 /nfs/dbraw/zinc/93/76/61/487937661.db2.gz KOTLOOJXVIOWGK-ZWNOBZJWSA-N 1 2 241.306 2.606 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000562050591 323011205 /nfs/dbraw/zinc/01/12/05/323011205.db2.gz YQTBVPNUNPNXMN-VIFPVBQESA-N 1 2 244.285 2.714 20 0 BFADLO CCc1cnc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000562050591 323011206 /nfs/dbraw/zinc/01/12/06/323011206.db2.gz YQTBVPNUNPNXMN-VIFPVBQESA-N 1 2 244.285 2.714 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000562287500 323014924 /nfs/dbraw/zinc/01/49/24/323014924.db2.gz QKZXFYZRVACGTN-PTEHBNRSSA-N 1 2 245.326 2.618 20 0 BFADLO CCC(C)(C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000566863972 323021293 /nfs/dbraw/zinc/02/12/93/323021293.db2.gz ODHTWRRRYZIXOY-UHFFFAOYSA-N 1 2 245.326 2.561 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CCC[C@@H]2C)c(C)c[nH+]1 ZINC000562531362 323023036 /nfs/dbraw/zinc/02/30/36/323023036.db2.gz AVEXTWZAYVCDBT-XHDPSFHLSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)ccn2)no1 ZINC000564747140 323024326 /nfs/dbraw/zinc/02/43/26/323024326.db2.gz YAUFGHUJLAIZRI-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)ccn2)no1 ZINC000564747134 323024372 /nfs/dbraw/zinc/02/43/72/323024372.db2.gz YAUFGHUJLAIZRI-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1c[nH+]c(C)nc1NCc1ccc(Cl)cc1 ZINC000570090850 323049614 /nfs/dbraw/zinc/04/96/14/323049614.db2.gz RWOMAWLGNUSSAZ-UHFFFAOYSA-N 1 2 247.729 2.781 20 0 BFADLO CC(C)COc1ccccc1-n1cc[nH+]c1 ZINC000531489207 323098528 /nfs/dbraw/zinc/09/85/28/323098528.db2.gz GRHRZRUOVVAPDY-UHFFFAOYSA-N 1 2 216.284 2.907 20 0 BFADLO C[C@@H](CC(=O)N[C@@H]1CCC(C)(C)C1)n1cc[nH+]c1 ZINC000563217622 323103852 /nfs/dbraw/zinc/10/38/52/323103852.db2.gz OAODSAQUKSKUQM-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO CC[C@H](C)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563285106 323108481 /nfs/dbraw/zinc/10/84/81/323108481.db2.gz WWCXELDZFXABPH-VIFPVBQESA-N 1 2 237.347 2.506 20 0 BFADLO CCc1cc(C[NH2+]Cc2ccc(CC)o2)on1 ZINC000531866485 323118451 /nfs/dbraw/zinc/11/84/51/323118451.db2.gz JBHMDLNKCFMEGE-UHFFFAOYSA-N 1 2 234.299 2.682 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)CCc1ccccc1 ZINC000567123240 323120522 /nfs/dbraw/zinc/12/05/22/323120522.db2.gz ACMPSTBICDNQIG-UHFFFAOYSA-N 1 2 241.338 2.772 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1coc(C)n1 ZINC000563417548 323123653 /nfs/dbraw/zinc/12/36/53/323123653.db2.gz PDWRXHRTNNAGIX-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)N(C)C(C)(C)C)ccn12 ZINC000563410095 323124605 /nfs/dbraw/zinc/12/46/05/323124605.db2.gz UUHJGKPXUDNRAD-UHFFFAOYSA-N 1 2 245.326 2.513 20 0 BFADLO Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000152265939 323134615 /nfs/dbraw/zinc/13/46/15/323134615.db2.gz CPNWHEWDXOOQAO-NSHDSACASA-N 1 2 247.342 2.961 20 0 BFADLO CCCC1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000571214657 323138143 /nfs/dbraw/zinc/13/81/43/323138143.db2.gz RAQGAUDRSBVXGM-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO CCc1cnn(Cc2ccc(C)[nH+]c2C)c1 ZINC000571298693 323140735 /nfs/dbraw/zinc/14/07/35/323140735.db2.gz YDHFMSNPMYHAPK-UHFFFAOYSA-N 1 2 215.300 2.506 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@H](O)C1CC1 ZINC000111234678 323157385 /nfs/dbraw/zinc/15/73/85/323157385.db2.gz CKCPXPHKMNWYQT-AWEZNQCLSA-N 1 2 242.322 2.726 20 0 BFADLO C[C@H]1C[C@H](C)N(c2[nH+]c3ccccc3n2C)C1 ZINC000534974341 323162454 /nfs/dbraw/zinc/16/24/54/323162454.db2.gz LZPFMZAKKJCBAZ-QWRGUYRKSA-N 1 2 229.327 2.808 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000534954505 323162526 /nfs/dbraw/zinc/16/25/26/323162526.db2.gz NTJBKRCZPDKITG-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2cccnc2)o1 ZINC000534954505 323162527 /nfs/dbraw/zinc/16/25/27/323162527.db2.gz NTJBKRCZPDKITG-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO Cc1cc(NC(=O)c2cccc(F)c2)c(C)c[nH+]1 ZINC000535035669 323164077 /nfs/dbraw/zinc/16/40/77/323164077.db2.gz CXYDJPPSRYWOSH-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)CC(C)C)c(C)c[nH+]1 ZINC000535061582 323164878 /nfs/dbraw/zinc/16/48/78/323164878.db2.gz CIOFNSGIBPHXST-LBPRGKRZSA-N 1 2 249.358 2.676 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]C/C=C\c2ccccc2)o1 ZINC000563869055 323181639 /nfs/dbraw/zinc/18/16/39/323181639.db2.gz VHTYFZTWLQJKKS-DHHDDZJSSA-N 1 2 243.310 2.742 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)[C@H](C)CO1 ZINC000051474759 323189336 /nfs/dbraw/zinc/18/93/36/323189336.db2.gz OAXHBTFAAKINNT-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)[C@H](C)CO1 ZINC000051474759 323189337 /nfs/dbraw/zinc/18/93/37/323189337.db2.gz OAXHBTFAAKINNT-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO CC[C@H](C)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535773171 323190888 /nfs/dbraw/zinc/19/08/88/323190888.db2.gz AJOHZKGOMUPDMX-CABZTGNLSA-N 1 2 249.358 2.676 20 0 BFADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)oc1C ZINC000536574752 323198133 /nfs/dbraw/zinc/19/81/33/323198133.db2.gz KDMJOFHBKYLIJG-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1cc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(C)c[nH+]1 ZINC000536618280 323198743 /nfs/dbraw/zinc/19/87/43/323198743.db2.gz CJRQZERSEKPJOW-RYUDHWBXSA-N 1 2 247.342 2.525 20 0 BFADLO CCC[C@H](C)N(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536621432 323198810 /nfs/dbraw/zinc/19/88/10/323198810.db2.gz VDNFYFLQUNBDQS-LBPRGKRZSA-N 1 2 249.358 2.773 20 0 BFADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@H](c2ccccc2)O1 ZINC000526969997 323309619 /nfs/dbraw/zinc/30/96/19/323309619.db2.gz IRTQCQVRXWCZFB-TZMCWYRMSA-N 1 2 249.329 2.951 20 0 BFADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@H](c2ccccc2)O1 ZINC000526969997 323309624 /nfs/dbraw/zinc/30/96/24/323309624.db2.gz IRTQCQVRXWCZFB-TZMCWYRMSA-N 1 2 249.329 2.951 20 0 BFADLO Cc1ccccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000563971416 323336424 /nfs/dbraw/zinc/33/64/24/323336424.db2.gz POAABGWUXKWDFB-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1ccccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000563971416 323336428 /nfs/dbraw/zinc/33/64/28/323336428.db2.gz POAABGWUXKWDFB-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO COCCC1(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000152492921 323418858 /nfs/dbraw/zinc/41/88/58/323418858.db2.gz MSTHAKWRCGEGAI-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO COc1ccc[nH+]c1NCCc1ccc(C)o1 ZINC000527853161 323708067 /nfs/dbraw/zinc/70/80/67/323708067.db2.gz ZTGLNZADLPLZFM-UHFFFAOYSA-N 1 2 232.283 2.646 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C)[C@@H](C)C1 ZINC000527950597 323725807 /nfs/dbraw/zinc/72/58/07/323725807.db2.gz PACQUQUXKPOADV-MNOVXSKESA-N 1 2 220.316 2.573 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](CC(C)C)OC ZINC000528036525 323743802 /nfs/dbraw/zinc/74/38/02/323743802.db2.gz RMOXSHYGCSTMFO-LLVKDONJSA-N 1 2 238.331 2.563 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000057620738 323931056 /nfs/dbraw/zinc/93/10/56/323931056.db2.gz GZYAEUHWPAXTDU-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO Cc1oc2ccccc2c1C[NH2+]Cc1ccn[nH]1 ZINC000123277616 324105766 /nfs/dbraw/zinc/10/57/66/324105766.db2.gz KAMICQJFHGEBOM-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1cc(NC(=O)C2(CC(C)C)CC2)c(C)c[nH+]1 ZINC000514774704 324111752 /nfs/dbraw/zinc/11/17/52/324111752.db2.gz SUSKJDPBMYRYLJ-UHFFFAOYSA-N 1 2 246.354 2.885 20 0 BFADLO CC(C)c1nc(NC[C@]2(C)CCCO2)cc[nH+]1 ZINC000152565020 324187159 /nfs/dbraw/zinc/18/71/59/324187159.db2.gz KPBZWFCMBRBWNZ-ZDUSSCGKSA-N 1 2 235.331 2.581 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CC=CC1 ZINC000529096407 324245921 /nfs/dbraw/zinc/24/59/21/324245921.db2.gz ZYESGPWNIOLFOH-UHFFFAOYSA-N 1 2 245.326 2.786 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)C1CC(F)(F)C1 ZINC000529544559 324334338 /nfs/dbraw/zinc/33/43/38/324334338.db2.gz PXSFNSMSVMZEPV-MRVPVSSYSA-N 1 2 242.269 2.936 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000529622271 324366178 /nfs/dbraw/zinc/36/61/78/324366178.db2.gz NBTPMMYOZQANEK-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000529622271 324366181 /nfs/dbraw/zinc/36/61/81/324366181.db2.gz NBTPMMYOZQANEK-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1csc(Cl)c1 ZINC000230409451 325021704 /nfs/dbraw/zinc/02/17/04/325021704.db2.gz PNKIBDLARVCNTC-SSDOTTSWSA-N 1 2 241.747 2.975 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2nnc(C)o2)cc1 ZINC000542615916 325037130 /nfs/dbraw/zinc/03/71/30/325037130.db2.gz LWRNVJWMCPBIOX-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1cc[nH+]cc1NC1Cc2ccccc2C1 ZINC000071413662 325073899 /nfs/dbraw/zinc/07/38/99/325073899.db2.gz VKJUJJRKFOQDMP-UHFFFAOYSA-N 1 2 224.307 2.969 20 0 BFADLO C[C@@H](CCc1ccccc1)C[NH+]1CC(F)C1 ZINC000544368943 325139931 /nfs/dbraw/zinc/13/99/31/325139931.db2.gz CQBCAHYQQUAUMT-LBPRGKRZSA-N 1 2 221.319 2.909 20 0 BFADLO Cc1cncc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000131568503 325164580 /nfs/dbraw/zinc/16/45/80/325164580.db2.gz TXRMASZNZSORON-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2cccc(F)c2)CCO1 ZINC000131634048 325172089 /nfs/dbraw/zinc/17/20/89/325172089.db2.gz IIXUEGQDGSDOGB-CQSZACIVSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCO1 ZINC000131634048 325172092 /nfs/dbraw/zinc/17/20/92/325172092.db2.gz IIXUEGQDGSDOGB-CQSZACIVSA-N 1 2 237.318 2.827 20 0 BFADLO CCC(C)(C)CNc1[nH+]cccc1OC ZINC000233045405 325176355 /nfs/dbraw/zinc/17/63/55/325176355.db2.gz SKROGOXILOQRMK-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)oc1C ZINC000074726491 325258641 /nfs/dbraw/zinc/25/86/41/325258641.db2.gz KFGNWURXIRNXSD-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccoc2)s1 ZINC000135010104 325388338 /nfs/dbraw/zinc/38/83/38/325388338.db2.gz QDXNHSDGCCNRPE-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO CC(C)c1noc([C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000548097845 325429285 /nfs/dbraw/zinc/42/92/85/325429285.db2.gz FGMRQDVDACCAPH-GUBZILKMSA-N 1 2 223.320 2.737 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2sccc2C)n1 ZINC000309742726 487967695 /nfs/dbraw/zinc/96/76/95/487967695.db2.gz DRLZQNPASFHPHI-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)c1cc(C)ccn1 ZINC000552289651 325617730 /nfs/dbraw/zinc/61/77/30/325617730.db2.gz GATJNUYOWYUSRY-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO Cc1nnc(C[NH2+][C@H](c2cccs2)C2CC2)o1 ZINC000553293443 325685178 /nfs/dbraw/zinc/68/51/78/325685178.db2.gz PFTXTKQUNZCJLR-LBPRGKRZSA-N 1 2 249.339 2.680 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000554517780 325724236 /nfs/dbraw/zinc/72/42/36/325724236.db2.gz QLNDUDXAXHVPSO-NWDGAFQWSA-N 1 2 245.326 2.618 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CC12CCCCC2)c1[nH]cc[nH+]1 ZINC000565434895 325911521 /nfs/dbraw/zinc/91/15/21/325911521.db2.gz WGBUEZQIEQNCMG-GHMZBOCLSA-N 1 2 247.342 2.557 20 0 BFADLO CCCc1csc(C[NH+]2CC(C)C2)n1 ZINC000565579407 325930593 /nfs/dbraw/zinc/93/05/93/325930593.db2.gz AGRZKCIOXMUZPI-UHFFFAOYSA-N 1 2 210.346 2.547 20 0 BFADLO Fc1ccccc1CC[N@@H+]1Cc2cccnc2C1 ZINC000566138909 326001624 /nfs/dbraw/zinc/00/16/24/326001624.db2.gz UBAPJOKMLMHSAU-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1CC[N@H+]1Cc2cccnc2C1 ZINC000566138909 326001625 /nfs/dbraw/zinc/00/16/25/326001625.db2.gz UBAPJOKMLMHSAU-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO CCC[C@@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000566359019 326036664 /nfs/dbraw/zinc/03/66/64/326036664.db2.gz CBFKDOZYNSCGPM-CYBMUJFWSA-N 1 2 247.386 2.952 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccnc(OC)c1)C(F)F ZINC000566474411 326053837 /nfs/dbraw/zinc/05/38/37/326053837.db2.gz GANUVMFWLVRZSV-WCBMZHEXSA-N 1 2 244.285 2.785 20 0 BFADLO Cc1[nH]c(CNc2ccc(F)cc2F)[nH+]c1C ZINC000566496381 326058513 /nfs/dbraw/zinc/05/85/13/326058513.db2.gz GUJZHYWWMMZKEO-UHFFFAOYSA-N 1 2 237.253 2.917 20 0 BFADLO C[C@@H]([N@H+](C)Cc1nn(C)cc1Cl)C(C)(C)C ZINC000566908448 326092466 /nfs/dbraw/zinc/09/24/66/326092466.db2.gz WPLZBDJODZUZES-SECBINFHSA-N 1 2 243.782 2.940 20 0 BFADLO C[C@@H]([N@@H+](C)Cc1nn(C)cc1Cl)C(C)(C)C ZINC000566908448 326092467 /nfs/dbraw/zinc/09/24/67/326092467.db2.gz WPLZBDJODZUZES-SECBINFHSA-N 1 2 243.782 2.940 20 0 BFADLO CCC(CC)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000568185239 326322550 /nfs/dbraw/zinc/32/25/50/326322550.db2.gz ZBKICLFHJICFAB-UHFFFAOYSA-N 1 2 245.326 2.561 20 0 BFADLO COc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)ccn1 ZINC000568239714 326332917 /nfs/dbraw/zinc/33/29/17/326332917.db2.gz RJTFAKJMJPQJJJ-BDAKNGLRSA-N 1 2 244.285 2.785 20 0 BFADLO Cc1cc(NCc2ccc([C@H]3C[C@H]3C)o2)nc[nH+]1 ZINC000569207416 326395015 /nfs/dbraw/zinc/39/50/15/326395015.db2.gz JAZWVTPYNSHYGR-SKDRFNHKSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1cc(NCc2ccc([C@H]3C[C@@H]3C)o2)nc[nH+]1 ZINC000569207414 326395155 /nfs/dbraw/zinc/39/51/55/326395155.db2.gz JAZWVTPYNSHYGR-CABZTGNLSA-N 1 2 243.310 2.535 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1nccn1C(F)F ZINC000073854626 487980152 /nfs/dbraw/zinc/98/01/52/487980152.db2.gz ISGRKWWPGHUTNY-VIFPVBQESA-N 1 2 229.274 2.653 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1nccn1C(F)F ZINC000073854626 487980158 /nfs/dbraw/zinc/98/01/58/487980158.db2.gz ISGRKWWPGHUTNY-VIFPVBQESA-N 1 2 229.274 2.653 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000682546972 487985145 /nfs/dbraw/zinc/98/51/45/487985145.db2.gz GKFKWJAUFWONIN-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000682546972 487985148 /nfs/dbraw/zinc/98/51/48/487985148.db2.gz GKFKWJAUFWONIN-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)C(F)F ZINC000682671963 488009172 /nfs/dbraw/zinc/00/91/72/488009172.db2.gz QEJGGYUQZNAREV-WDEREUQCSA-N 1 2 240.297 2.509 20 0 BFADLO Cc1nc(C[NH2+][C@H](c2cccs2)C2CC2)no1 ZINC000224106239 488015720 /nfs/dbraw/zinc/01/57/20/488015720.db2.gz LLHWRMDGABUSTE-LBPRGKRZSA-N 1 2 249.339 2.680 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CC=C(C)CC2)cc[nH+]1 ZINC000668634716 488033815 /nfs/dbraw/zinc/03/38/15/488033815.db2.gz CMIFNTOJNMNVJU-OAHLLOKOSA-N 1 2 244.338 2.887 20 0 BFADLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccoc1 ZINC000667545262 488041263 /nfs/dbraw/zinc/04/12/63/488041263.db2.gz ZPMCXHCHMJGMCA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccoc1 ZINC000667545262 488041268 /nfs/dbraw/zinc/04/12/68/488041268.db2.gz ZPMCXHCHMJGMCA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000680335246 488085877 /nfs/dbraw/zinc/08/58/77/488085877.db2.gz SHRDWMYDSHQEJC-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000680335246 488085884 /nfs/dbraw/zinc/08/58/84/488085884.db2.gz SHRDWMYDSHQEJC-ONGXEEELSA-N 1 2 242.363 2.885 20 0 BFADLO Cc1ncsc1C[N@@H+](C)Cc1cc(C)ccn1 ZINC000683009635 488089523 /nfs/dbraw/zinc/08/95/23/488089523.db2.gz QKTWCXIKKNSASI-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncsc1C[N@H+](C)Cc1cc(C)ccn1 ZINC000683009635 488089527 /nfs/dbraw/zinc/08/95/27/488089527.db2.gz QKTWCXIKKNSASI-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cs1 ZINC000671780851 488105569 /nfs/dbraw/zinc/10/55/69/488105569.db2.gz GWZGMQBVFGGHPQ-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Cc1csc(C[NH+]2CC3(C2)CC(F)(F)C3)n1 ZINC000677732862 488111032 /nfs/dbraw/zinc/11/10/32/488111032.db2.gz LBTNISOENCNPHQ-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO CCc1cc(NCC2CCC(OC)CC2)nc[nH+]1 ZINC000674248748 487537323 /nfs/dbraw/zinc/53/73/23/487537323.db2.gz TYOFXRLAVNHNDJ-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cc(N)nc(SC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000403709537 488133197 /nfs/dbraw/zinc/13/31/97/488133197.db2.gz WTYGPONMDXLTLQ-OUAUKWLOSA-N 1 2 249.383 2.726 20 0 BFADLO C[C@@H](C[N@@H+]1CCOCC(F)(F)C1)C(C)(C)C ZINC000685476668 487537868 /nfs/dbraw/zinc/53/78/68/487537868.db2.gz PVCAQKPPAXBOIU-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO C[C@@H](C[N@H+]1CCOCC(F)(F)C1)C(C)(C)C ZINC000685476668 487537871 /nfs/dbraw/zinc/53/78/71/487537871.db2.gz PVCAQKPPAXBOIU-JTQLQIEISA-N 1 2 235.318 2.636 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccsc2)[nH]1 ZINC000392416023 487538659 /nfs/dbraw/zinc/53/86/59/487538659.db2.gz JHISETXSEVKOMI-SFYZADRCSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000668795866 487550035 /nfs/dbraw/zinc/55/00/35/487550035.db2.gz JIFZVKIQMRQHNY-MFKMUULPSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)no1 ZINC000668795866 487550042 /nfs/dbraw/zinc/55/00/42/487550042.db2.gz JIFZVKIQMRQHNY-MFKMUULPSA-N 1 2 249.358 2.802 20 0 BFADLO Fc1cc(C[NH+]2CC3(CC3)C2)cc(F)c1F ZINC000334743059 487551277 /nfs/dbraw/zinc/55/12/77/487551277.db2.gz QRMOZPJVAKYFKJ-UHFFFAOYSA-N 1 2 227.229 2.700 20 0 BFADLO Clc1ccc2[nH+]cc(CN3CC4(CC4)C3)n2c1 ZINC000334743835 487553863 /nfs/dbraw/zinc/55/38/63/487553863.db2.gz WHYRYSVJSPCCFJ-UHFFFAOYSA-N 1 2 247.729 2.584 20 0 BFADLO Clc1ccc2ncc(C[NH+]3CC4(CC4)C3)n2c1 ZINC000334743835 487553869 /nfs/dbraw/zinc/55/38/69/487553869.db2.gz WHYRYSVJSPCCFJ-UHFFFAOYSA-N 1 2 247.729 2.584 20 0 BFADLO CCc1cc(NCC[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000680068505 487530690 /nfs/dbraw/zinc/53/06/90/487530690.db2.gz KLTSTFJSGLBIDW-NEPJUHHUSA-N 1 2 249.358 2.656 20 0 BFADLO CC(C)(C)c1nc(NCC[C@H]2CCOC2)cc[nH+]1 ZINC000680072415 487532408 /nfs/dbraw/zinc/53/24/08/487532408.db2.gz OPCDKXYRAWMMRC-NSHDSACASA-N 1 2 249.358 2.613 20 0 BFADLO Cc1nc(N[C@@H](C(C)C)C2CC2)cc[nH+]1 ZINC000324116958 487533081 /nfs/dbraw/zinc/53/30/81/487533081.db2.gz MHYRVYGMKGAXDC-LBPRGKRZSA-N 1 2 205.305 2.632 20 0 BFADLO COc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000382183788 487533312 /nfs/dbraw/zinc/53/33/12/487533312.db2.gz AMXNDKSDYXDUOB-WCQGTBRESA-N 1 2 218.300 2.691 20 0 BFADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)C1CCC1 ZINC000672243490 487471579 /nfs/dbraw/zinc/47/15/79/487471579.db2.gz FMFBTTFNGHVOMV-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)C1CCC1 ZINC000672243490 487471583 /nfs/dbraw/zinc/47/15/83/487471583.db2.gz FMFBTTFNGHVOMV-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO Fc1ccc2oc(C[NH2+]Cc3ncc[nH]3)cc2c1 ZINC000673899080 487472475 /nfs/dbraw/zinc/47/24/75/487472475.db2.gz VKPNZCBKLLAITH-UHFFFAOYSA-N 1 2 245.257 2.585 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc[nH]n1 ZINC000093592899 487479401 /nfs/dbraw/zinc/47/94/01/487479401.db2.gz PQIZULALQUPMBV-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000093592899 487479405 /nfs/dbraw/zinc/47/94/05/487479405.db2.gz PQIZULALQUPMBV-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO Cn1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cn1 ZINC000674008740 487497740 /nfs/dbraw/zinc/49/77/40/487497740.db2.gz CMRUFFQYNQDNOC-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cn1 ZINC000674008740 487497742 /nfs/dbraw/zinc/49/77/42/487497742.db2.gz CMRUFFQYNQDNOC-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000679943223 487499729 /nfs/dbraw/zinc/49/97/29/487499729.db2.gz UGEVEEXHNGZYSH-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)(C)c1nc(NC[C@H]2CCCCO2)cc[nH+]1 ZINC000674063507 487506271 /nfs/dbraw/zinc/50/62/71/487506271.db2.gz DXMSMVOCHZSRNE-LLVKDONJSA-N 1 2 249.358 2.755 20 0 BFADLO Fc1ccc(C(F)(F)C[NH2+]C2CSC2)cc1 ZINC000668710137 488151874 /nfs/dbraw/zinc/15/18/74/488151874.db2.gz IIBMOAZUECMDII-UHFFFAOYSA-N 1 2 247.285 2.623 20 0 BFADLO C[C@@H]1CC[C@@H](CNc2cc[nH+]c(C(C)(C)C)n2)O1 ZINC000665728954 487527036 /nfs/dbraw/zinc/52/70/36/487527036.db2.gz AFSCFEPRJVPIHK-MNOVXSKESA-N 1 2 249.358 2.754 20 0 BFADLO c1c[nH+]c(COCc2ccc3ncccc3c2)[nH]1 ZINC000681129440 487735624 /nfs/dbraw/zinc/73/56/24/487735624.db2.gz MPQACGVLHWZILF-UHFFFAOYSA-N 1 2 239.278 2.675 20 0 BFADLO CCc1ccc(C[NH2+]Cc2csc(C)n2)o1 ZINC000051724751 487783731 /nfs/dbraw/zinc/78/37/31/487783731.db2.gz ATQNMTTWRWNKLB-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1c[nH+]cc(NCc2n[nH]c3ccccc23)c1 ZINC000676493566 487857332 /nfs/dbraw/zinc/85/73/32/487857332.db2.gz CIPYYYZXXVEYAN-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1nc2ccccc2o1 ZINC000673857294 487953696 /nfs/dbraw/zinc/95/36/96/487953696.db2.gz PRIMDDARACODRE-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1nc2ccccc2o1 ZINC000673857294 487953700 /nfs/dbraw/zinc/95/37/00/487953700.db2.gz PRIMDDARACODRE-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCc1ccco1 ZINC000425590815 488014744 /nfs/dbraw/zinc/01/47/44/488014744.db2.gz XXBITLJTSZLIBZ-UHFFFAOYSA-N 1 2 244.294 2.863 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000335828524 488147557 /nfs/dbraw/zinc/14/75/57/488147557.db2.gz BRUZQUVABWUPME-NSHDSACASA-N 1 2 227.311 2.795 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000335828524 488147560 /nfs/dbraw/zinc/14/75/60/488147560.db2.gz BRUZQUVABWUPME-NSHDSACASA-N 1 2 227.311 2.795 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000335828524 488147562 /nfs/dbraw/zinc/14/75/62/488147562.db2.gz BRUZQUVABWUPME-NSHDSACASA-N 1 2 227.311 2.795 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000335828524 488147564 /nfs/dbraw/zinc/14/75/64/488147564.db2.gz BRUZQUVABWUPME-NSHDSACASA-N 1 2 227.311 2.795 20 0 BFADLO CCCCNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667948258 488166372 /nfs/dbraw/zinc/16/63/72/488166372.db2.gz VZOSPOACJXMITQ-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678127017 488201321 /nfs/dbraw/zinc/20/13/21/488201321.db2.gz ANXXDIKNSAHKCF-GXFFZTMASA-N 1 2 245.326 2.758 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678127017 488201325 /nfs/dbraw/zinc/20/13/25/488201325.db2.gz ANXXDIKNSAHKCF-GXFFZTMASA-N 1 2 245.326 2.758 20 0 BFADLO CC1C[NH+](Cc2cccc(F)c2OC(F)F)C1 ZINC000668093353 488201878 /nfs/dbraw/zinc/20/18/78/488201878.db2.gz HUZAXURUAHLIRW-UHFFFAOYSA-N 1 2 245.244 2.879 20 0 BFADLO CC1C[NH+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000668093989 488202075 /nfs/dbraw/zinc/20/20/75/488202075.db2.gz ZKSQNMABYYDYHW-UHFFFAOYSA-N 1 2 245.244 2.879 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1[nH]nc2ccccc21 ZINC000678210138 488217142 /nfs/dbraw/zinc/21/71/42/488217142.db2.gz GESXRBBBGRNWBM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1[nH]nc2ccccc21 ZINC000678210138 488217144 /nfs/dbraw/zinc/21/71/44/488217144.db2.gz GESXRBBBGRNWBM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1n[nH]c2ccccc21 ZINC000678210138 488217147 /nfs/dbraw/zinc/21/71/47/488217147.db2.gz GESXRBBBGRNWBM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1n[nH]c2ccccc21 ZINC000678210138 488217149 /nfs/dbraw/zinc/21/71/49/488217149.db2.gz GESXRBBBGRNWBM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCc3ccccc32)o1 ZINC000231638897 488217402 /nfs/dbraw/zinc/21/74/02/488217402.db2.gz GILIJVFASXBYCC-CYBMUJFWSA-N 1 2 228.295 2.760 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCCc3occc32)o1 ZINC000231640811 488218620 /nfs/dbraw/zinc/21/86/20/488218620.db2.gz WGGYSYOJDLDVJQ-LLVKDONJSA-N 1 2 232.283 2.743 20 0 BFADLO COc1ncccc1C[N@H+](C)Cc1ccsc1 ZINC000683779409 488219857 /nfs/dbraw/zinc/21/98/57/488219857.db2.gz OPEKYSDWMNDVDU-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ncccc1C[N@@H+](C)Cc1ccsc1 ZINC000683779409 488219859 /nfs/dbraw/zinc/21/98/59/488219859.db2.gz OPEKYSDWMNDVDU-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO C[N@H+](Cc1cscc1Cl)[C@@H]1CCOC1 ZINC000678238864 488223199 /nfs/dbraw/zinc/22/31/99/488223199.db2.gz IWLQQASWWTXNMT-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1cscc1Cl)[C@@H]1CCOC1 ZINC000678238864 488223201 /nfs/dbraw/zinc/22/32/01/488223201.db2.gz IWLQQASWWTXNMT-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)CCO1 ZINC000678312115 488239965 /nfs/dbraw/zinc/23/99/65/488239965.db2.gz QIZVVKAPQSMWRC-GHMZBOCLSA-N 1 2 249.358 2.754 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cn(C)cn1 ZINC000683899716 488241762 /nfs/dbraw/zinc/24/17/62/488241762.db2.gz YRQZFSMAMAHJKF-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cn(C)cn1 ZINC000683899716 488241764 /nfs/dbraw/zinc/24/17/64/488241764.db2.gz YRQZFSMAMAHJKF-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)N(C)Cc1cn(C)c[nH+]1 ZINC000683899716 488241767 /nfs/dbraw/zinc/24/17/67/488241767.db2.gz YRQZFSMAMAHJKF-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO CC[C@@]1(Nc2cc[nH+]c(C(C)(C)C)n2)CCOC1 ZINC000672276140 488248573 /nfs/dbraw/zinc/24/85/73/488248573.db2.gz WJSWLUWAFONAJQ-CQSZACIVSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@]1(Nc2cc(C)[nH+]c(C3CC3)n2)CCOC1 ZINC000672276110 488249962 /nfs/dbraw/zinc/24/99/62/488249962.db2.gz SGHWJHKWXZWDHU-AWEZNQCLSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1nc(N2CCC[C@H]3C[C@H]32)c2c([nH+]1)CCCC2 ZINC000672322971 488251117 /nfs/dbraw/zinc/25/11/17/488251117.db2.gz SYGCXUJTFOMNEK-SMDDNHRTSA-N 1 2 243.354 2.653 20 0 BFADLO Cc1cnc([C@@H](C)[NH+]2CC3(C2)CC(F)(F)C3)o1 ZINC000678465272 488257567 /nfs/dbraw/zinc/25/75/67/488257567.db2.gz YOIIFTJTHSOMES-SECBINFHSA-N 1 2 242.269 2.775 20 0 BFADLO CCCCCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000678718648 488278253 /nfs/dbraw/zinc/27/82/53/488278253.db2.gz JXOUSXDZTQBZAG-UHFFFAOYSA-N 1 2 248.355 2.945 20 0 BFADLO CN(C)c1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000679320653 488335155 /nfs/dbraw/zinc/33/51/55/488335155.db2.gz DLBOPALYPMFBMA-UHFFFAOYSA-N 1 2 234.318 2.812 20 0 BFADLO CN(C)c1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000679320653 488335157 /nfs/dbraw/zinc/33/51/57/488335157.db2.gz DLBOPALYPMFBMA-UHFFFAOYSA-N 1 2 234.318 2.812 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2ccon2)cc[nH+]1 ZINC000678786679 488282583 /nfs/dbraw/zinc/28/25/83/488282583.db2.gz PMWLUQKTQNJURS-SECBINFHSA-N 1 2 232.287 2.761 20 0 BFADLO Cc1cc(N[C@H](C)c2ccon2)nc(C2CC2)[nH+]1 ZINC000678787031 488282849 /nfs/dbraw/zinc/28/28/49/488282849.db2.gz WKNREBIZIFDIKE-SECBINFHSA-N 1 2 244.298 2.824 20 0 BFADLO CCc1cc(NC2CC(C(F)(F)F)C2)nc[nH+]1 ZINC000673480604 488289847 /nfs/dbraw/zinc/28/98/47/488289847.db2.gz KWZGBTYQNKAQJX-UHFFFAOYSA-N 1 2 245.248 2.792 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000679004671 488302162 /nfs/dbraw/zinc/30/21/62/488302162.db2.gz DNHXBKXIEVVZNB-NEPJUHHUSA-N 1 2 249.358 2.517 20 0 BFADLO CSc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000679009036 488302775 /nfs/dbraw/zinc/30/27/75/488302775.db2.gz USILABYJBJFGCT-UHFFFAOYSA-N 1 2 234.324 2.848 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccccc1N(C)C ZINC000679049408 488304967 /nfs/dbraw/zinc/30/49/67/488304967.db2.gz OMXNMVPPWBQVBM-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO CCc1cc(N[C@@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000679191361 488315643 /nfs/dbraw/zinc/31/56/43/488315643.db2.gz SYSASAXCHSKXLV-LLVKDONJSA-N 1 2 249.358 2.797 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@H](F)C2)c(C)c(C)[nH+]1 ZINC000679191379 488315693 /nfs/dbraw/zinc/31/56/93/488315693.db2.gz UFHWWBBRIMUIGH-PRHODGIISA-N 1 2 237.322 2.586 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1F ZINC000679192682 488315860 /nfs/dbraw/zinc/31/58/60/488315860.db2.gz PDFMOZKIDXGWDS-JQWIXIFHSA-N 1 2 245.301 2.814 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679220205 488318900 /nfs/dbraw/zinc/31/89/00/488318900.db2.gz DAAAWTHQSSVQJA-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679220205 488318901 /nfs/dbraw/zinc/31/89/01/488318901.db2.gz DAAAWTHQSSVQJA-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1F ZINC000679223757 488320540 /nfs/dbraw/zinc/32/05/40/488320540.db2.gz MTFDMFMPRVXXBD-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@@H]1F ZINC000679223757 488320541 /nfs/dbraw/zinc/32/05/41/488320541.db2.gz MTFDMFMPRVXXBD-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C[C@@H]1F ZINC000679225757 488321612 /nfs/dbraw/zinc/32/16/12/488321612.db2.gz YEEJQPKYPHBWLU-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@@H]1F ZINC000679225757 488321614 /nfs/dbraw/zinc/32/16/14/488321614.db2.gz YEEJQPKYPHBWLU-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679228598 488322907 /nfs/dbraw/zinc/32/29/07/488322907.db2.gz YAAABDRXNRQSGV-SCZZXKLOSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679228598 488322909 /nfs/dbraw/zinc/32/29/09/488322909.db2.gz YAAABDRXNRQSGV-SCZZXKLOSA-N 1 2 228.336 2.631 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cncs1 ZINC000120457044 490061827 /nfs/dbraw/zinc/06/18/27/490061827.db2.gz OTWCJIHIYZREGU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cncs1 ZINC000120457044 490061830 /nfs/dbraw/zinc/06/18/30/490061830.db2.gz OTWCJIHIYZREGU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO O=C1C[N@H+](CC2=CCCC2)Cc2ccccc2N1 ZINC000653828770 490146590 /nfs/dbraw/zinc/14/65/90/490146590.db2.gz GYEVMXMCRUJIGH-UHFFFAOYSA-N 1 2 242.322 2.551 20 0 BFADLO O=C1C[N@@H+](CC2=CCCC2)Cc2ccccc2N1 ZINC000653828770 490146599 /nfs/dbraw/zinc/14/65/99/490146599.db2.gz GYEVMXMCRUJIGH-UHFFFAOYSA-N 1 2 242.322 2.551 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000668480525 490285232 /nfs/dbraw/zinc/28/52/32/490285232.db2.gz NAPQPJNTVFVDEB-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC000668480525 490285235 /nfs/dbraw/zinc/28/52/35/490285235.db2.gz NAPQPJNTVFVDEB-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CC[C@H]1C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301310011 490676056 /nfs/dbraw/zinc/67/60/56/490676056.db2.gz YNGREBGVYJVVSY-WPRPVWTQSA-N 1 2 203.289 2.564 20 0 BFADLO CSc1ccc(C[NH2+]Cc2ncc(C)o2)cc1 ZINC000227084416 491054725 /nfs/dbraw/zinc/05/47/25/491054725.db2.gz PPTAOBVXYQNFLL-UHFFFAOYSA-N 1 2 248.351 2.995 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cccc(C)c2)o1 ZINC000227083827 491055010 /nfs/dbraw/zinc/05/50/10/491055010.db2.gz KSSSKPHSDGZBMR-UHFFFAOYSA-N 1 2 216.284 2.581 20 0 BFADLO C[C@@H](CCc1ccc(F)cc1)Nc1c[nH]c[nH+]1 ZINC000520906237 491062792 /nfs/dbraw/zinc/06/27/92/491062792.db2.gz KOYHBKDWAUODCF-JTQLQIEISA-N 1 2 233.290 2.982 20 0 BFADLO CSCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594032005 491075563 /nfs/dbraw/zinc/07/55/63/491075563.db2.gz VFMOMEXLMYKMKR-UHFFFAOYSA-N 1 2 229.295 2.643 20 0 BFADLO CCc1cc(NC[C@@H]2CCCCS2)nc[nH+]1 ZINC000087685973 491091417 /nfs/dbraw/zinc/09/14/17/491091417.db2.gz FRFDGWARZSNYOK-NSHDSACASA-N 1 2 237.372 2.737 20 0 BFADLO CCC(CC)CNc1ccc(OC)c[nH+]1 ZINC000228692941 491100845 /nfs/dbraw/zinc/10/08/45/491100845.db2.gz AYGFCSGSPISXBL-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000293660163 491114360 /nfs/dbraw/zinc/11/43/60/491114360.db2.gz TZNSSRGAPBNWKA-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1nc2ccccc2s1 ZINC000293660163 491114361 /nfs/dbraw/zinc/11/43/61/491114361.db2.gz TZNSSRGAPBNWKA-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO Cc1ncc([C@H](C)[NH2+]Cc2cscn2)s1 ZINC000090406591 491126075 /nfs/dbraw/zinc/12/60/75/491126075.db2.gz QVNWVNLZRIQTMY-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO CCOc1ccccc1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000138903004 491129574 /nfs/dbraw/zinc/12/95/74/491129574.db2.gz LWEVEADIXCFIBM-LLVKDONJSA-N 1 2 245.326 2.659 20 0 BFADLO CCc1cc(NC[C@@H](C)c2nccs2)nc[nH+]1 ZINC000230609949 491130400 /nfs/dbraw/zinc/13/04/00/491130400.db2.gz QSIOBHPUYYVCNR-SECBINFHSA-N 1 2 248.355 2.711 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000309832957 491156854 /nfs/dbraw/zinc/15/68/54/491156854.db2.gz ZBWZJGWQPSXDBR-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO COc1ccc(N[C@H](C)c2ccoc2)[nH+]c1 ZINC000309854467 491157488 /nfs/dbraw/zinc/15/74/88/491157488.db2.gz JXQCXBMCHMUMBB-SECBINFHSA-N 1 2 218.256 2.856 20 0 BFADLO Oc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000310029640 491160381 /nfs/dbraw/zinc/16/03/81/491160381.db2.gz QSLLDCNZGNSGEJ-UHFFFAOYSA-N 1 2 218.231 2.538 20 0 BFADLO Cc1[nH+]cccc1Cn1cnc2ccccc21 ZINC000310381652 491161231 /nfs/dbraw/zinc/16/12/31/491161231.db2.gz BOKFMRCWNMLYPV-UHFFFAOYSA-N 1 2 223.279 2.788 20 0 BFADLO CC(C)c1nc(N2CCC[C@H]3C[C@H]32)cc[nH+]1 ZINC000804784453 582556404 /nfs/dbraw/zinc/55/64/04/582556404.db2.gz OTSIHNVSFKKLDI-WDEREUQCSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@@H]1C[C@H]1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000488353149 534030937 /nfs/dbraw/zinc/03/09/37/534030937.db2.gz PHJYPYMSQHFQFU-NEPJUHHUSA-N 1 2 227.311 2.940 20 0 BFADLO CC(C)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000891412852 582680847 /nfs/dbraw/zinc/68/08/47/582680847.db2.gz GATXGSKVWAJGBR-JTQLQIEISA-N 1 2 208.305 2.593 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000507170588 534088084 /nfs/dbraw/zinc/08/80/84/534088084.db2.gz OOVBXOIORNYQPP-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000507170588 534088090 /nfs/dbraw/zinc/08/80/90/534088090.db2.gz OOVBXOIORNYQPP-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO Cc1cc(C[N@H+](C)C/C=C\c2ccncc2)no1 ZINC000495056465 534167058 /nfs/dbraw/zinc/16/70/58/534167058.db2.gz CYEZIUUOTKHFQJ-ARJAWSKDSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1cc(C[N@@H+](C)C/C=C\c2ccncc2)no1 ZINC000495056465 534167067 /nfs/dbraw/zinc/16/70/67/534167067.db2.gz CYEZIUUOTKHFQJ-ARJAWSKDSA-N 1 2 243.310 2.523 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)c(C)o1 ZINC000336106638 536085844 /nfs/dbraw/zinc/08/58/44/536085844.db2.gz XPKLXMNOXAJPIW-UHFFFAOYSA-N 1 2 244.294 2.528 20 0 BFADLO Cc1ccc(CSc2cnccn2)c(C)[nH+]1 ZINC000548474135 518188908 /nfs/dbraw/zinc/18/89/08/518188908.db2.gz AZIZOSIFNDJPQU-UHFFFAOYSA-N 1 2 231.324 2.781 20 0 BFADLO CC(C)c1nc(NCCc2cscn2)cc[nH+]1 ZINC000172761761 534911401 /nfs/dbraw/zinc/91/14/01/534911401.db2.gz XENOFYFNKZAMAX-UHFFFAOYSA-N 1 2 248.355 2.711 20 0 BFADLO CC(C)(C)/C=C\C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000493145127 527556846 /nfs/dbraw/zinc/55/68/46/527556846.db2.gz CORSXGWDKHYEEJ-FPLPWBNLSA-N 1 2 247.342 2.760 20 0 BFADLO CC(C)CCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493861672 527705201 /nfs/dbraw/zinc/70/52/01/527705201.db2.gz XKGFTWDBECMAQF-ABZNLYFFSA-N 1 2 249.358 2.754 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493196425 527732244 /nfs/dbraw/zinc/73/22/44/527732244.db2.gz XFGPEDYWIYJZFS-QDZRJHCZSA-N 1 2 247.342 2.604 20 0 BFADLO CCCCCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492901425 528148090 /nfs/dbraw/zinc/14/80/90/528148090.db2.gz PFYYVQMYPNYIFV-JLVNDZCYSA-N 1 2 249.358 2.898 20 0 BFADLO CCCCCN(C(=O)/C=C/c1[nH]cc[nH+]1)C(C)C ZINC000493403431 528154943 /nfs/dbraw/zinc/15/49/43/528154943.db2.gz PYWQGKPPOULYDY-BQYQJAHWSA-N 1 2 249.358 2.850 20 0 BFADLO CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)CC ZINC000492758327 528297279 /nfs/dbraw/zinc/29/72/79/528297279.db2.gz AAAUUHWONVZHJO-QDZRJHCZSA-N 1 2 249.358 2.850 20 0 BFADLO CCC(CC)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492769400 528768140 /nfs/dbraw/zinc/76/81/40/528768140.db2.gz PTJAXQVJIPEYLQ-VMPITWQZSA-N 1 2 247.342 2.603 20 0 BFADLO CCCC[C@@H](CCC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493863578 528788239 /nfs/dbraw/zinc/78/82/39/528788239.db2.gz ZPLFWGVISVSLMC-IDVQTMNDSA-N 1 2 249.358 2.898 20 0 BFADLO CCCC[C@H](CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493616359 528907084 /nfs/dbraw/zinc/90/70/84/528907084.db2.gz GRBIFKXBMAHRMS-GUOLPTJISA-N 1 2 249.358 2.756 20 0 BFADLO CCSCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494207770 529179964 /nfs/dbraw/zinc/17/99/64/529179964.db2.gz GMHOSFCNWALYRS-SECBINFHSA-N 1 2 223.332 2.717 20 0 BFADLO CCSCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494207770 529179965 /nfs/dbraw/zinc/17/99/65/529179965.db2.gz GMHOSFCNWALYRS-SECBINFHSA-N 1 2 223.332 2.717 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)C(F)(F)F)[C@H]1CCOC1 ZINC000309711465 529200947 /nfs/dbraw/zinc/20/09/47/529200947.db2.gz QUMZIVTWJRXKCK-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO CC1(C)CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000334211674 535318045 /nfs/dbraw/zinc/31/80/45/535318045.db2.gz HHPZXCLWKPDJHD-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000335683629 535335962 /nfs/dbraw/zinc/33/59/62/535335962.db2.gz LWFRPTYLKYICPV-UHFFFAOYSA-N 1 2 229.283 2.734 20 0 BFADLO CC(C)c1cc(N2CCCCN2)[nH+]c(C(C)C)n1 ZINC000289235033 535369452 /nfs/dbraw/zinc/36/94/52/535369452.db2.gz YTGXCQVBLRESIU-UHFFFAOYSA-N 1 2 248.374 2.828 20 0 BFADLO CC[C@@H](C)CN(CC)c1cc[nH+]c(C)n1 ZINC000175056316 535512368 /nfs/dbraw/zinc/51/23/68/535512368.db2.gz NZGCSRNOFJBXFV-SNVBAGLBSA-N 1 2 207.321 2.657 20 0 BFADLO CC[C@@H]([NH2+]Cc1nccs1)c1nccs1 ZINC000070717498 535806509 /nfs/dbraw/zinc/80/65/09/535806509.db2.gz XOHWLYBOFFXYHE-MRVPVSSYSA-N 1 2 239.369 2.841 20 0 BFADLO CCc1cnc(C[N@@H+]2CCSC[C@@H]2C)s1 ZINC000335990472 536037551 /nfs/dbraw/zinc/03/75/51/536037551.db2.gz AQEDJOVVSFONBV-VIFPVBQESA-N 1 2 242.413 2.643 20 0 BFADLO CCc1cnc(C[N@H+]2CCSC[C@@H]2C)s1 ZINC000335990472 536037555 /nfs/dbraw/zinc/03/75/55/536037555.db2.gz AQEDJOVVSFONBV-VIFPVBQESA-N 1 2 242.413 2.643 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cccc3cc[nH]c32)o1 ZINC000236001328 537908316 /nfs/dbraw/zinc/90/83/16/537908316.db2.gz IENXPGACEYHRCL-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)C(C)C ZINC000225833191 566330346 /nfs/dbraw/zinc/33/03/46/566330346.db2.gz FGCRWAPIEHHZLN-NSHDSACASA-N 1 2 208.305 2.937 20 0 BFADLO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000398196989 583123604 /nfs/dbraw/zinc/12/36/04/583123604.db2.gz LTAVQJNDBDJEQE-GZMMTYOYSA-N 1 2 243.301 2.567 20 0 BFADLO CCCn1cc(C[NH2+][C@@H]2CCCC2(F)F)cn1 ZINC000398185705 583123912 /nfs/dbraw/zinc/12/39/12/583123912.db2.gz ISARBDZGRCZOLV-LLVKDONJSA-N 1 2 243.301 2.571 20 0 BFADLO Fc1cc2[nH+]cn(CCOC(F)F)c2cc1F ZINC000853016130 588715762 /nfs/dbraw/zinc/71/57/62/588715762.db2.gz OZBRZLYEAZGNGQ-UHFFFAOYSA-N 1 2 248.179 2.554 20 0 BFADLO CCCC[N@H+](C)Cn1nc(CC)sc1=S ZINC000853489446 588745547 /nfs/dbraw/zinc/74/55/47/588745547.db2.gz CKRLJABWJLEKHS-UHFFFAOYSA-N 1 2 245.417 2.926 20 0 BFADLO CCCC[N@@H+](C)Cn1nc(CC)sc1=S ZINC000853489446 588745548 /nfs/dbraw/zinc/74/55/48/588745548.db2.gz CKRLJABWJLEKHS-UHFFFAOYSA-N 1 2 245.417 2.926 20 0 BFADLO COc1cccc(C(N)=[NH+]OCC2(C)CCC2)c1 ZINC000853675569 588755088 /nfs/dbraw/zinc/75/50/88/588755088.db2.gz XXGRDUVILJBVAD-UHFFFAOYSA-N 1 2 248.326 2.732 20 0 BFADLO CC(C)[C@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694838 588757173 /nfs/dbraw/zinc/75/71/73/588757173.db2.gz OHDBZEKNXNRAIT-JTQLQIEISA-N 1 2 238.306 2.911 20 0 BFADLO CC1CCC(=CC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000855134571 588822554 /nfs/dbraw/zinc/82/25/54/588822554.db2.gz SNZASLOWQDCPCC-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO CC1CCC(=CC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000855134571 588822555 /nfs/dbraw/zinc/82/25/55/588822555.db2.gz SNZASLOWQDCPCC-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1CCCCCCC1 ZINC000855134492 588823015 /nfs/dbraw/zinc/82/30/15/588823015.db2.gz PSTFXCKTCACGRZ-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1CCCCCCC1 ZINC000855134492 588823016 /nfs/dbraw/zinc/82/30/16/588823016.db2.gz PSTFXCKTCACGRZ-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO COc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1F ZINC000287529325 582524982 /nfs/dbraw/zinc/52/49/82/582524982.db2.gz OWUDVTKSAFEUDL-MRVPVSSYSA-N 1 2 235.262 2.731 20 0 BFADLO CC(C)c1nc(N2CCC3(CC3)C2)cc[nH+]1 ZINC000804689114 582527081 /nfs/dbraw/zinc/52/70/81/582527081.db2.gz UZPYTAKWSMJWCO-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO COc1cc[nH+]cc1COC(=O)CCCC1CC1 ZINC000812602218 582555491 /nfs/dbraw/zinc/55/54/91/582555491.db2.gz OPQWQSXKSPAWMS-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO CC[C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000855387737 588830550 /nfs/dbraw/zinc/83/05/50/588830550.db2.gz IWEPOIDRDMAPAQ-NSHDSACASA-N 1 2 245.326 2.500 20 0 BFADLO CCc1cc(NCc2ccco2)nc(CC)[nH+]1 ZINC000891388143 582675720 /nfs/dbraw/zinc/67/57/20/582675720.db2.gz SSOMYIGLELKLAY-UHFFFAOYSA-N 1 2 231.299 2.807 20 0 BFADLO COC[C@@H](C)Nc1cc2c(cccc2OC)c[nH+]1 ZINC000891438156 582684874 /nfs/dbraw/zinc/68/48/74/582684874.db2.gz HIDZPFGLMTWSBK-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO C[C@H](O)c1cccc(NCCc2cccs2)[nH+]1 ZINC000891516279 582694865 /nfs/dbraw/zinc/69/48/65/582694865.db2.gz HVXIAPHQOPPEDG-JTQLQIEISA-N 1 2 248.351 2.851 20 0 BFADLO Cc1cc(N(C)C(C)C)nc(C2CCC2)[nH+]1 ZINC000891713494 582712386 /nfs/dbraw/zinc/71/23/86/582712386.db2.gz GFYWIJZKSNBLFM-UHFFFAOYSA-N 1 2 219.332 2.897 20 0 BFADLO CCCN(Cc1[nH+]ccn1C1CC1)CC(F)F ZINC000891863396 582731298 /nfs/dbraw/zinc/73/12/98/582731298.db2.gz WUGIMRYDRSAVMD-UHFFFAOYSA-N 1 2 243.301 2.695 20 0 BFADLO C[C@H]1CCN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000892253637 582814185 /nfs/dbraw/zinc/81/41/85/582814185.db2.gz DTQNRGLPPGHQCG-LBPRGKRZSA-N 1 2 239.322 2.990 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@H]2C(C)C)s1 ZINC000892402614 582876726 /nfs/dbraw/zinc/87/67/26/582876726.db2.gz DILIBLXLVHOKRE-JTQLQIEISA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]2C(C)C)s1 ZINC000892402614 582876728 /nfs/dbraw/zinc/87/67/28/582876728.db2.gz DILIBLXLVHOKRE-JTQLQIEISA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]2C(C)C)s1 ZINC000892402615 582876769 /nfs/dbraw/zinc/87/67/69/582876769.db2.gz DILIBLXLVHOKRE-SNVBAGLBSA-N 1 2 239.388 2.892 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]2C(C)C)s1 ZINC000892402615 582876772 /nfs/dbraw/zinc/87/67/72/582876772.db2.gz DILIBLXLVHOKRE-SNVBAGLBSA-N 1 2 239.388 2.892 20 0 BFADLO C[C@@H]1CN(Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000146702412 582908692 /nfs/dbraw/zinc/90/86/92/582908692.db2.gz RCJNMUGCLJXMMS-SNVBAGLBSA-N 1 2 213.284 2.533 20 0 BFADLO C[C@@H]1CN(Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000146702412 582908695 /nfs/dbraw/zinc/90/86/95/582908695.db2.gz RCJNMUGCLJXMMS-SNVBAGLBSA-N 1 2 213.284 2.533 20 0 BFADLO Cc1cc(NC2(C(F)F)CCCC2)nc[nH+]1 ZINC000393786063 582924505 /nfs/dbraw/zinc/92/45/05/582924505.db2.gz XZGWXYDCRHIGAK-UHFFFAOYSA-N 1 2 227.258 2.775 20 0 BFADLO CC[C@H](CCO)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892648115 582938967 /nfs/dbraw/zinc/93/89/67/582938967.db2.gz BYASCSRGRCBBEQ-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO CSC(C)(C)CNc1cccc([C@@H](C)O)[nH+]1 ZINC000892745560 582975048 /nfs/dbraw/zinc/97/50/48/582975048.db2.gz RYEZWCVERGTGNG-SECBINFHSA-N 1 2 240.372 2.688 20 0 BFADLO Cc1cc(N[C@]2(C)CCOC2)nc(C2CCC2)[nH+]1 ZINC000892985512 583025632 /nfs/dbraw/zinc/02/56/32/583025632.db2.gz MDHONGUGQLUJAV-CQSZACIVSA-N 1 2 247.342 2.643 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)C2CCC2)[nH+]1 ZINC000892986100 583025800 /nfs/dbraw/zinc/02/58/00/583025800.db2.gz SVJFWZKEHPVDQB-UWVGGRQHSA-N 1 2 220.316 2.735 20 0 BFADLO CCc1cc(N[C@]2(C)CCO[C@H]2C)nc(CC)[nH+]1 ZINC000893133501 583055232 /nfs/dbraw/zinc/05/52/32/583055232.db2.gz BKSHDCWGXPFGMI-IINYFYTJSA-N 1 2 249.358 2.581 20 0 BFADLO CCc1onc(C)c1CNc1ccc(OC)c[nH+]1 ZINC000893133571 583055335 /nfs/dbraw/zinc/05/53/35/583055335.db2.gz BSPDDKGMPKAWJS-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO Cc1cc(C[NH2+]Cc2csc(C)n2)c(C)o1 ZINC000114505229 588874757 /nfs/dbraw/zinc/87/47/57/588874757.db2.gz BEMNFBXWCYRSRX-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO CCCC[C@H](C(=O)NC1=[NH+]CCS1)C(C)C ZINC000856734149 588875291 /nfs/dbraw/zinc/87/52/91/588875291.db2.gz MOUJRTSMYNDYPU-JTQLQIEISA-N 1 2 242.388 2.668 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc(NC)[nH+]cn1 ZINC000893184155 583066813 /nfs/dbraw/zinc/06/68/13/583066813.db2.gz VUYKZBMYSGQSPS-SSDOTTSWSA-N 1 2 248.252 2.661 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc(NC)nc[nH+]1 ZINC000893184155 583066815 /nfs/dbraw/zinc/06/68/15/583066815.db2.gz VUYKZBMYSGQSPS-SSDOTTSWSA-N 1 2 248.252 2.661 20 0 BFADLO COc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000893198176 583069003 /nfs/dbraw/zinc/06/90/03/583069003.db2.gz KUKNRHJBWFINBU-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO COc1cc[nH+]cc1NCc1nc(C)c(C)s1 ZINC000893196533 583069015 /nfs/dbraw/zinc/06/90/15/583069015.db2.gz DLMBSQZAJDCHHZ-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO CC1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000893198736 583069034 /nfs/dbraw/zinc/06/90/34/583069034.db2.gz XFNPUPWWHBUNGW-UHFFFAOYSA-N 1 2 229.327 2.688 20 0 BFADLO Cc1cc(NCCC(C)(C)O)nc(C2CCC2)[nH+]1 ZINC000893254896 583079421 /nfs/dbraw/zinc/07/94/21/583079421.db2.gz CWILCRPHJPECMZ-UHFFFAOYSA-N 1 2 249.358 2.625 20 0 BFADLO COc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398014005 583116961 /nfs/dbraw/zinc/11/69/61/583116961.db2.gz VDOPPLPLNNQZTA-LBPRGKRZSA-N 1 2 241.281 2.973 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)cn1 ZINC000398185675 583123942 /nfs/dbraw/zinc/12/39/42/583123942.db2.gz IQQPGKLYHRXMKV-KOLCDFICSA-N 1 2 243.301 2.741 20 0 BFADLO C[C@@]1(Br)C[C@@H]1C[N@@H+]1CCC=C(F)C1 ZINC000893435384 583142733 /nfs/dbraw/zinc/14/27/33/583142733.db2.gz BJIRALOTOYFQQT-PSASIEDQSA-N 1 2 248.139 2.719 20 0 BFADLO C[C@@]1(Br)C[C@@H]1C[N@H+]1CCC=C(F)C1 ZINC000893435384 583142735 /nfs/dbraw/zinc/14/27/35/583142735.db2.gz BJIRALOTOYFQQT-PSASIEDQSA-N 1 2 248.139 2.719 20 0 BFADLO CC(C)=CCCNc1cccc([C@H](C)O)[nH+]1 ZINC000893453530 583146093 /nfs/dbraw/zinc/14/60/93/583146093.db2.gz MDKDUJAYUBTAEH-NSHDSACASA-N 1 2 220.316 2.903 20 0 BFADLO C[C@@H](CC(=O)OC[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC000893467465 583148679 /nfs/dbraw/zinc/14/86/79/583148679.db2.gz TWLIHKDGTBXXMG-NWDGAFQWSA-N 1 2 248.326 2.568 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)C1CCCCC1 ZINC000893517752 583155729 /nfs/dbraw/zinc/15/57/29/583155729.db2.gz UFMZKGLMIRWJNB-LBPRGKRZSA-N 1 2 248.326 2.760 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)CC1CCCC1 ZINC000893518045 583156267 /nfs/dbraw/zinc/15/62/67/583156267.db2.gz JTVJREAGJKINPN-LBPRGKRZSA-N 1 2 248.326 2.760 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(C)c(C)c2)n1 ZINC000628303144 583162095 /nfs/dbraw/zinc/16/20/95/583162095.db2.gz IPYQTYRVVUZUME-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(C)c(C)c2)n1 ZINC000628303144 583162096 /nfs/dbraw/zinc/16/20/96/583162096.db2.gz IPYQTYRVVUZUME-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO CO[C@H](C)CN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000893847550 583232671 /nfs/dbraw/zinc/23/26/71/583232671.db2.gz HINVYWISSCGRSA-LLVKDONJSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCC2(C)C)[nH+]1 ZINC000893858565 583233517 /nfs/dbraw/zinc/23/35/17/583233517.db2.gz FHYIJGXJHLKFBG-GXSJLCMTSA-N 1 2 220.316 2.735 20 0 BFADLO Cc1[nH]nc(C[NH+]2CCCCCCC2)c1C ZINC000893878508 583239946 /nfs/dbraw/zinc/23/99/46/583239946.db2.gz XRFKWVJRZSQISX-UHFFFAOYSA-N 1 2 221.348 2.793 20 0 BFADLO CCc1cc(NCCCCF)nc(CC)[nH+]1 ZINC000893927151 583249176 /nfs/dbraw/zinc/24/91/76/583249176.db2.gz YSMLBNCVSBKGPE-UHFFFAOYSA-N 1 2 225.311 2.763 20 0 BFADLO C[C@@H]1COCC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC000893962980 583257136 /nfs/dbraw/zinc/25/71/36/583257136.db2.gz VNJZJJVRNMMJBX-OGOUPESXSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1COCC[N@H+]1C/C=C/c1cccc(F)c1 ZINC000893962980 583257138 /nfs/dbraw/zinc/25/71/38/583257138.db2.gz VNJZJJVRNMMJBX-OGOUPESXSA-N 1 2 235.302 2.560 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ocnc2C)no1 ZINC000893946125 583258119 /nfs/dbraw/zinc/25/81/19/583258119.db2.gz LAISDGIWXNJJRR-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ocnc2C)no1 ZINC000893946125 583258123 /nfs/dbraw/zinc/25/81/23/583258123.db2.gz LAISDGIWXNJJRR-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(SC)o1 ZINC000893996155 583267551 /nfs/dbraw/zinc/26/75/51/583267551.db2.gz ZONYONZUSZDNLW-SNVBAGLBSA-N 1 2 241.356 2.612 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(SC)o1 ZINC000893996155 583267553 /nfs/dbraw/zinc/26/75/53/583267553.db2.gz ZONYONZUSZDNLW-SNVBAGLBSA-N 1 2 241.356 2.612 20 0 BFADLO F[C@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000894024043 583280653 /nfs/dbraw/zinc/28/06/53/583280653.db2.gz VGACFJYWJFQLJD-NSHDSACASA-N 1 2 247.317 2.780 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2cccn2C)[nH+]1 ZINC000894044130 583286694 /nfs/dbraw/zinc/28/66/94/583286694.db2.gz TVJDKDDBRFZFFU-UHFFFAOYSA-N 1 2 246.358 2.504 20 0 BFADLO CC/C=C\CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894047334 583287537 /nfs/dbraw/zinc/28/75/37/583287537.db2.gz SRNJTHRMOBRLFE-UMCURTJPSA-N 1 2 206.289 2.513 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894087224 583298706 /nfs/dbraw/zinc/29/87/06/583298706.db2.gz VSWFLFQWSZMMOP-CYBMUJFWSA-N 1 2 221.348 2.649 20 0 BFADLO CC(C)OCc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894109462 583308441 /nfs/dbraw/zinc/30/84/41/583308441.db2.gz INCBYTDTKQSOLQ-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO CC(C)OCc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894109462 583308444 /nfs/dbraw/zinc/30/84/44/583308444.db2.gz INCBYTDTKQSOLQ-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894123000 583312032 /nfs/dbraw/zinc/31/20/32/583312032.db2.gz AZFHBGMJJGMXRA-JTQLQIEISA-N 1 2 231.299 2.729 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894123000 583312034 /nfs/dbraw/zinc/31/20/34/583312034.db2.gz AZFHBGMJJGMXRA-JTQLQIEISA-N 1 2 231.299 2.729 20 0 BFADLO CCc1cc(N[C@@H]2CCO[C@H]2CC)nc(CC)[nH+]1 ZINC000894169281 583325146 /nfs/dbraw/zinc/32/51/46/583325146.db2.gz FPXGIERAQOAILU-NEPJUHHUSA-N 1 2 249.358 2.581 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCCC[C@H]2F)[nH+]1 ZINC000894201414 583338289 /nfs/dbraw/zinc/33/82/89/583338289.db2.gz MOZQLOGBPHZMPA-HOSYDEDBSA-N 1 2 238.306 2.828 20 0 BFADLO C[C@H](O)c1cccc(N2CC(C)(C)C[C@H]2C)[nH+]1 ZINC000894206092 583347805 /nfs/dbraw/zinc/34/78/05/583347805.db2.gz SMSZPBJMXXRNPL-MNOVXSKESA-N 1 2 234.343 2.760 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@](C)(C(F)(F)F)C2)o1 ZINC000877812555 583348406 /nfs/dbraw/zinc/34/84/06/583348406.db2.gz QHZKPUJIBLEUIH-SNVBAGLBSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)o1 ZINC000877812555 583348407 /nfs/dbraw/zinc/34/84/07/583348407.db2.gz QHZKPUJIBLEUIH-SNVBAGLBSA-N 1 2 248.248 2.757 20 0 BFADLO C[C@H](O)c1cccc(N2CC[C@H](C3CCC3)C2)[nH+]1 ZINC000894225597 583383446 /nfs/dbraw/zinc/38/34/46/583383446.db2.gz DUSMYVCIBPGODP-AAEUAGOBSA-N 1 2 246.354 2.761 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000894462498 583467501 /nfs/dbraw/zinc/46/75/01/583467501.db2.gz VUKRZUXVRIEGAC-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000894462498 583467505 /nfs/dbraw/zinc/46/75/05/583467505.db2.gz VUKRZUXVRIEGAC-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO C[C@H](O)c1cccc(NCCC(C)(C)F)[nH+]1 ZINC000894552004 583483565 /nfs/dbraw/zinc/48/35/65/583483565.db2.gz DCRWJMFNXSSPFN-VIFPVBQESA-N 1 2 226.295 2.685 20 0 BFADLO C[C@@H](O)c1cccc(NCCC(C)(C)F)[nH+]1 ZINC000894552003 583483730 /nfs/dbraw/zinc/48/37/30/583483730.db2.gz DCRWJMFNXSSPFN-SECBINFHSA-N 1 2 226.295 2.685 20 0 BFADLO CC[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000894573198 583486129 /nfs/dbraw/zinc/48/61/29/583486129.db2.gz VJPVAHMDSOMETK-GXSJLCMTSA-N 1 2 220.316 2.735 20 0 BFADLO CC(C)c1c[nH]c(C[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000894600765 583491018 /nfs/dbraw/zinc/49/10/18/583491018.db2.gz MCLUSPUMFWAKEX-UWVGGRQHSA-N 1 2 207.321 2.516 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894623007 583496590 /nfs/dbraw/zinc/49/65/90/583496590.db2.gz BDEYVPBRDITLPT-UHFFFAOYSA-N 1 2 235.661 2.790 20 0 BFADLO C[C@H](O)c1cccc(NC2CC(C)(C)C2)[nH+]1 ZINC000894639094 583498802 /nfs/dbraw/zinc/49/88/02/583498802.db2.gz JKGFEFDDLVQMRG-VIFPVBQESA-N 1 2 220.316 2.735 20 0 BFADLO CC1=CCC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000894647004 583500362 /nfs/dbraw/zinc/50/03/62/583500362.db2.gz BKANHKFIVNSYHP-UHFFFAOYSA-N 1 2 219.332 2.685 20 0 BFADLO CC1=CCC[N@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000894647004 583500364 /nfs/dbraw/zinc/50/03/64/583500364.db2.gz BKANHKFIVNSYHP-UHFFFAOYSA-N 1 2 219.332 2.685 20 0 BFADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1cnc[nH]1 ZINC000894832544 583528344 /nfs/dbraw/zinc/52/83/44/583528344.db2.gz VUVUBCSREGJEPD-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO CCc1nnc(C[NH+]2CC(C(C)(C)C)C2)s1 ZINC000894842768 583530451 /nfs/dbraw/zinc/53/04/51/583530451.db2.gz DYCPPODWIIBZAR-UHFFFAOYSA-N 1 2 239.388 2.578 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1C ZINC000894904925 583553653 /nfs/dbraw/zinc/55/36/53/583553653.db2.gz BKAUMSRUKZMMTH-DZGCQCFKSA-N 1 2 245.370 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1C ZINC000894904930 583553775 /nfs/dbraw/zinc/55/37/75/583553775.db2.gz BKAUMSRUKZMMTH-ZFWWWQNUSA-N 1 2 245.370 2.647 20 0 BFADLO CCn1nc(C)cc1-c1cc(C)cn2cc[nH+]c12 ZINC000857833431 588911879 /nfs/dbraw/zinc/91/18/79/588911879.db2.gz RRPLIZFDJSEEEV-UHFFFAOYSA-N 1 2 240.310 2.835 20 0 BFADLO CC(C)C[C@H](C)CNc1cc(CO)cc[nH+]1 ZINC000895038035 583570554 /nfs/dbraw/zinc/57/05/54/583570554.db2.gz FUUUWCDWHXRIRS-NSHDSACASA-N 1 2 222.332 2.668 20 0 BFADLO CC(C)c1c[nH]c(CN2CCCC(F)(F)C2)[nH+]1 ZINC000895134640 583601895 /nfs/dbraw/zinc/60/18/95/583601895.db2.gz JFDIFTOQDPGJRV-UHFFFAOYSA-N 1 2 243.301 2.764 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+]1Cc2ccncc2C1 ZINC000857876904 588919142 /nfs/dbraw/zinc/91/91/42/588919142.db2.gz IBOUXISEEPVNHF-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1ccncc1)[N@H+]1Cc2ccncc2C1 ZINC000857876904 588919144 /nfs/dbraw/zinc/91/91/44/588919144.db2.gz IBOUXISEEPVNHF-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO CC1(C[N@H+]2CC[C@H]2C(F)F)CCCC1 ZINC000895431335 583670003 /nfs/dbraw/zinc/67/00/03/583670003.db2.gz LGODATVTKSWFMS-VIFPVBQESA-N 1 2 203.276 2.906 20 0 BFADLO Fc1cccc(/C=C/C[NH+]2CC3(C2)CCCO3)c1 ZINC000895393497 583664623 /nfs/dbraw/zinc/66/46/23/583664623.db2.gz KZQGLGVDCALLBH-GORDUTHDSA-N 1 2 247.313 2.704 20 0 BFADLO c1ccc([C@@]23C[C@@H]2CN(c2cccc[nH+]2)C3)cc1 ZINC000895398133 583665145 /nfs/dbraw/zinc/66/51/45/583665145.db2.gz NODXCOVJWCQNDB-ZBFHGGJFSA-N 1 2 236.318 2.860 20 0 BFADLO CC(C)CCCC[N@@H+]1Cc2cnn(C)c2C1 ZINC000895427570 583668168 /nfs/dbraw/zinc/66/81/68/583668168.db2.gz PARSKMPESYENCC-UHFFFAOYSA-N 1 2 221.348 2.562 20 0 BFADLO CC(C)CCCC[N@H+]1Cc2cnn(C)c2C1 ZINC000895427570 583668169 /nfs/dbraw/zinc/66/81/69/583668169.db2.gz PARSKMPESYENCC-UHFFFAOYSA-N 1 2 221.348 2.562 20 0 BFADLO OCc1cc[nH+]c(NC[C@]23C[C@H]2CCCC3)c1 ZINC000895429004 583668412 /nfs/dbraw/zinc/66/84/12/583668412.db2.gz XEJJHEPGFUWPPG-OCCSQVGLSA-N 1 2 232.327 2.566 20 0 BFADLO CC1(C[N@@H+]2CC[C@H]2C(F)F)CCCC1 ZINC000895431335 583670002 /nfs/dbraw/zinc/67/00/02/583670002.db2.gz LGODATVTKSWFMS-VIFPVBQESA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000895430823 583670323 /nfs/dbraw/zinc/67/03/23/583670323.db2.gz IIWRNWQSVNISMH-YTWAJWBKSA-N 1 2 215.287 2.762 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000895430823 583670324 /nfs/dbraw/zinc/67/03/24/583670324.db2.gz IIWRNWQSVNISMH-YTWAJWBKSA-N 1 2 215.287 2.762 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000895432611 583671526 /nfs/dbraw/zinc/67/15/26/583671526.db2.gz OWSUOPXPECVYFQ-UWVGGRQHSA-N 1 2 201.260 2.682 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1CC=CCC1 ZINC000895432611 583671528 /nfs/dbraw/zinc/67/15/28/583671528.db2.gz OWSUOPXPECVYFQ-UWVGGRQHSA-N 1 2 201.260 2.682 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2ccns2)c1 ZINC000895452479 583676557 /nfs/dbraw/zinc/67/65/57/583676557.db2.gz XEJPPUQSEYINCX-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2ccns2)c1 ZINC000895452479 583676559 /nfs/dbraw/zinc/67/65/59/583676559.db2.gz XEJPPUQSEYINCX-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ccns2)o1 ZINC000895454403 583677895 /nfs/dbraw/zinc/67/78/95/583677895.db2.gz YRZTUJBTUJOYPG-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ccns2)o1 ZINC000895454403 583677896 /nfs/dbraw/zinc/67/78/96/583677896.db2.gz YRZTUJBTUJOYPG-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CC[C@H](C)Oc1cccc(NCc2c[nH+]c[nH]2)n1 ZINC000895467009 583678808 /nfs/dbraw/zinc/67/88/08/583678808.db2.gz JJGUAGGOTWTWTI-JTQLQIEISA-N 1 2 246.314 2.594 20 0 BFADLO CC[C@H](C)Oc1cccc(NCc2c[nH]c[nH+]2)n1 ZINC000895467009 583678809 /nfs/dbraw/zinc/67/88/09/583678809.db2.gz JJGUAGGOTWTWTI-JTQLQIEISA-N 1 2 246.314 2.594 20 0 BFADLO Cc1nc(C[N@@H+](C)CCCCC(C)C)no1 ZINC000895474745 583679805 /nfs/dbraw/zinc/67/98/05/583679805.db2.gz YVOKTBSEVUSYBC-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)CCCCC(C)C)no1 ZINC000895474745 583679807 /nfs/dbraw/zinc/67/98/07/583679807.db2.gz YVOKTBSEVUSYBC-UHFFFAOYSA-N 1 2 225.336 2.636 20 0 BFADLO FC[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000895543632 583688627 /nfs/dbraw/zinc/68/86/27/583688627.db2.gz DHZMQRMCSPHNSZ-MRVPVSSYSA-N 1 2 248.754 2.978 20 0 BFADLO FC[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000895543632 583688630 /nfs/dbraw/zinc/68/86/30/583688630.db2.gz DHZMQRMCSPHNSZ-MRVPVSSYSA-N 1 2 248.754 2.978 20 0 BFADLO Fc1cc2c(cc1F)C[N@H+](CC1(F)CC1)CC2 ZINC000895655689 583701598 /nfs/dbraw/zinc/70/15/98/583701598.db2.gz ISOLZWRXEIYLIN-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Fc1cc2c(cc1F)C[N@@H+](CC1(F)CC1)CC2 ZINC000895655689 583701599 /nfs/dbraw/zinc/70/15/99/583701599.db2.gz ISOLZWRXEIYLIN-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO CC(C)(C)OC[C@H]1CCCN1c1cccc[nH+]1 ZINC000895657962 583701853 /nfs/dbraw/zinc/70/18/53/583701853.db2.gz TWOZVSVBUSDJTO-GFCCVEGCSA-N 1 2 234.343 2.866 20 0 BFADLO CCSCc1ccc[nH+]c1NC1CSC1 ZINC000895688936 583707282 /nfs/dbraw/zinc/70/72/82/583707282.db2.gz QLMDFJYTPYGWTK-UHFFFAOYSA-N 1 2 240.397 2.862 20 0 BFADLO C[N@H+](CCCF)Cc1nc(Cl)cs1 ZINC000895895837 583743881 /nfs/dbraw/zinc/74/38/81/583743881.db2.gz FHEJQBOXLJFFLD-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO C[N@@H+](CCCF)Cc1nc(Cl)cs1 ZINC000895895837 583743882 /nfs/dbraw/zinc/74/38/82/583743882.db2.gz FHEJQBOXLJFFLD-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO Cc1nc(NC(C)(C)/C=C\Cl)cc[nH+]1 ZINC000895916278 583746360 /nfs/dbraw/zinc/74/63/60/583746360.db2.gz YDEPMEDFICXGBF-WAYWQWQTSA-N 1 2 211.696 2.728 20 0 BFADLO CCc1nc(NC(C)(C)/C=C/Cl)cc[nH+]1 ZINC000895914056 583746218 /nfs/dbraw/zinc/74/62/18/583746218.db2.gz HIAHPIURAUKHLH-VOTSOKGWSA-N 1 2 225.723 2.982 20 0 BFADLO COCC1C[NH+](Cc2ccc(Cl)cc2F)C1 ZINC000895969472 583755388 /nfs/dbraw/zinc/75/53/88/583755388.db2.gz BJRNHCHFBQOGAP-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO CCCC(C)(C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857978067 588926697 /nfs/dbraw/zinc/92/66/97/588926697.db2.gz BTEJUFGEJXOKJH-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)(C)c1coc(C[NH+]2CCC(F)CC2)n1 ZINC000895999249 583760323 /nfs/dbraw/zinc/76/03/23/583760323.db2.gz HWSXTSQRHDLONG-UHFFFAOYSA-N 1 2 240.322 2.906 20 0 BFADLO Cc1cc(NC2CCC(C)(O)CC2)c[nH+]c1C ZINC000896021748 583764013 /nfs/dbraw/zinc/76/40/13/583764013.db2.gz NDDCPNNSZXBQQV-UHFFFAOYSA-N 1 2 234.343 2.804 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCS[C@@H](C)C1 ZINC000896248293 583784801 /nfs/dbraw/zinc/78/48/01/583784801.db2.gz UCLCPDFQITUFKY-UWVGGRQHSA-N 1 2 238.356 2.786 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCS[C@@H](C)C1 ZINC000896248294 583784939 /nfs/dbraw/zinc/78/49/39/583784939.db2.gz UCLCPDFQITUFKY-VHSXEESVSA-N 1 2 238.356 2.786 20 0 BFADLO CCc1nc(N2CCC(F)(C3CC3)CC2)cc[nH+]1 ZINC000896240183 583785915 /nfs/dbraw/zinc/78/59/15/583785915.db2.gz OPZMIOFTXYARNB-UHFFFAOYSA-N 1 2 249.333 2.758 20 0 BFADLO CCC/C=C/C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995260 588930139 /nfs/dbraw/zinc/93/01/39/588930139.db2.gz ZLTFVMGYFHHJTL-AATRIKPKSA-N 1 2 245.326 2.505 20 0 BFADLO Cc1cc(N[C@H]2CCCc3cccnc32)nc[nH+]1 ZINC000896415964 583801202 /nfs/dbraw/zinc/80/12/02/583801202.db2.gz SMZVKTTUINWTRL-LBPRGKRZSA-N 1 2 240.310 2.670 20 0 BFADLO C/C=C(/CC)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998859 588930429 /nfs/dbraw/zinc/93/04/29/588930429.db2.gz KDRLJLJHIPMKDD-WCIBSUBMSA-N 1 2 245.326 2.505 20 0 BFADLO CCc1nnc(C[NH2+]C(C)(C)/C=C/Cl)s1 ZINC000896752858 583830856 /nfs/dbraw/zinc/83/08/56/583830856.db2.gz WBXYQFKYCNCNNZ-AATRIKPKSA-N 1 2 245.779 2.721 20 0 BFADLO COc1ccsc1C[N@@H+]1CCn2cccc2C1 ZINC000896760149 583831453 /nfs/dbraw/zinc/83/14/53/583831453.db2.gz JRKMCXPRIZWYBP-UHFFFAOYSA-N 1 2 248.351 2.574 20 0 BFADLO COc1ccsc1C[N@H+]1CCn2cccc2C1 ZINC000896760149 583831454 /nfs/dbraw/zinc/83/14/54/583831454.db2.gz JRKMCXPRIZWYBP-UHFFFAOYSA-N 1 2 248.351 2.574 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)C1CCOCC1 ZINC000896786942 583833686 /nfs/dbraw/zinc/83/36/86/583833686.db2.gz PXUJUSVLRYADAL-UHFFFAOYSA-N 1 2 234.343 2.946 20 0 BFADLO Fc1cc(C[NH2+]C2(C(F)F)CCCC2)ccn1 ZINC000858165245 588936358 /nfs/dbraw/zinc/93/63/58/588936358.db2.gz PULBQQRYZFWWPU-UHFFFAOYSA-N 1 2 244.260 2.888 20 0 BFADLO C/C(=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)(C)C ZINC000896915361 583854447 /nfs/dbraw/zinc/85/44/47/583854447.db2.gz KIYGRZLDUVPIKU-VQHVLOKHSA-N 1 2 249.358 2.635 20 0 BFADLO CC(=CC(=O)NCc1[nH]c(C)c(C)[nH+]1)C(C)(C)C ZINC000896915361 583854448 /nfs/dbraw/zinc/85/44/48/583854448.db2.gz KIYGRZLDUVPIKU-VQHVLOKHSA-N 1 2 249.358 2.635 20 0 BFADLO Cc1[nH+]cnc(NC2C[C@H]3CC[C@@H](C2)S3)c1C ZINC000896997191 583868025 /nfs/dbraw/zinc/86/80/25/583868025.db2.gz DVSDVDWPVVYWEY-YOGCLGLASA-N 1 2 249.383 2.932 20 0 BFADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1cscn1 ZINC000858188215 588938266 /nfs/dbraw/zinc/93/82/66/588938266.db2.gz BKDOHNLNCCJCIV-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1nc(N[C@@H]2CCSC(C)(C)C2)cc[nH+]1 ZINC000897059677 583875295 /nfs/dbraw/zinc/87/52/95/583875295.db2.gz DLTHWUAIHQSQIL-SNVBAGLBSA-N 1 2 237.372 2.871 20 0 BFADLO Cc1nc(N2CC[C@H]2C2CCCC2)cc[nH+]1 ZINC000897155282 583886040 /nfs/dbraw/zinc/88/60/40/583886040.db2.gz BAZCEWALTWMDJM-LBPRGKRZSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(NCc2nc(C(C)(C)C)co2)nc[nH+]1 ZINC000897172261 583889585 /nfs/dbraw/zinc/88/95/85/583889585.db2.gz BBLKCPRBXFGPCV-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@@H]3CCC[C@H]23)c1C ZINC000897177717 583890766 /nfs/dbraw/zinc/89/07/66/583890766.db2.gz UPZBPOSCZLIITN-SDDRHHMPSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1cc(NC2CC3(C2)COC(C)(C)C3)nc[nH+]1 ZINC000897213568 583896229 /nfs/dbraw/zinc/89/62/29/583896229.db2.gz SJVBJGCXYAQSHI-UHFFFAOYSA-N 1 2 247.342 2.545 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@H]1CCC(F)(F)C1 ZINC000897236252 583900059 /nfs/dbraw/zinc/90/00/59/583900059.db2.gz FCBDGXUYVZMACA-SECBINFHSA-N 1 2 244.260 2.880 20 0 BFADLO Cc1nc(N[C@H](c2ccncc2)C2CC2)cc[nH+]1 ZINC000897423460 583964783 /nfs/dbraw/zinc/96/47/83/583964783.db2.gz KVJJYAKWDXJATP-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO CC(C)c1c[nH+]cc(NCc2ccc(=O)[nH]c2)c1 ZINC000897707304 584041602 /nfs/dbraw/zinc/04/16/02/584041602.db2.gz LLTVLSGPSBAGGL-UHFFFAOYSA-N 1 2 243.310 2.918 20 0 BFADLO C[C@@H]1C[C@@H]1c1csc(Cn2cc[nH+]c2)n1 ZINC000899242295 584185644 /nfs/dbraw/zinc/18/56/44/584185644.db2.gz TYUYILFHLACKLG-BDAKNGLRSA-N 1 2 219.313 2.511 20 0 BFADLO Clc1csc(N[C@@H]2CCn3cc[nH+]c32)n1 ZINC000858557629 588965232 /nfs/dbraw/zinc/96/52/32/588965232.db2.gz UHXQRTOYFGUDBO-ZCFIWIBFSA-N 1 2 240.719 2.550 20 0 BFADLO Clc1csc(N[C@H]2CCn3cc[nH+]c32)n1 ZINC000858557628 588965775 /nfs/dbraw/zinc/96/57/75/588965775.db2.gz UHXQRTOYFGUDBO-LURJTMIESA-N 1 2 240.719 2.550 20 0 BFADLO C/C=C\CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000858799965 588976836 /nfs/dbraw/zinc/97/68/36/588976836.db2.gz IGFSYIQIZHSQLP-WAYWQWQTSA-N 1 2 245.330 2.569 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CCF ZINC000901185080 584393183 /nfs/dbraw/zinc/39/31/83/584393183.db2.gz CEVOULLZRSYYBJ-UHFFFAOYSA-N 1 2 240.278 2.557 20 0 BFADLO C[C@@H]1C[C@H]1C(=O)CSc1[nH+]cc2ccccn21 ZINC000901411169 584441129 /nfs/dbraw/zinc/44/11/29/584441129.db2.gz GPOUYDJDLDIDKY-MWLCHTKSSA-N 1 2 246.335 2.652 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(OC)cc2)c1 ZINC000902079627 584520828 /nfs/dbraw/zinc/52/08/28/584520828.db2.gz PKMZJATYIJOTNP-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(COC)c2)c1 ZINC000902087134 584524502 /nfs/dbraw/zinc/52/45/02/584524502.db2.gz ZRAPYWSXXNJNPH-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO Cc1cc(NCc2ncc(C(C)C)s2)nc[nH+]1 ZINC000902195568 584536904 /nfs/dbraw/zinc/53/69/04/584536904.db2.gz MODGQRRBDZQHKV-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1nn(C)cc1NCc1ccc(C)[nH+]c1C ZINC000902201023 584537212 /nfs/dbraw/zinc/53/72/12/584537212.db2.gz ITTLUKBLGNWZCC-UHFFFAOYSA-N 1 2 244.342 2.606 20 0 BFADLO CCn1c[nH+]c(CNc2cc(F)cc(F)c2)c1 ZINC000902348758 584559959 /nfs/dbraw/zinc/55/99/59/584559959.db2.gz WHYMNASEFLBGIO-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)c(C)c2)c1 ZINC000902423772 584593218 /nfs/dbraw/zinc/59/32/18/584593218.db2.gz IGRUNIIPBAOTIH-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCOc1c(C)cc(C[NH+]2CCOCC2)cc1C ZINC000902521335 584631702 /nfs/dbraw/zinc/63/17/02/584631702.db2.gz RTTGSJJEPBZRRP-UHFFFAOYSA-N 1 2 249.354 2.534 20 0 BFADLO CCn1cnc(CNc2c[nH+]c(C)c(C)c2)c1 ZINC000902642665 584644958 /nfs/dbraw/zinc/64/49/58/584644958.db2.gz CETYTSGMIRILRS-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CC(C)(O)CCOc1ccc2c[nH+]ccc2c1 ZINC000902637028 584648016 /nfs/dbraw/zinc/64/80/16/584648016.db2.gz GMCFSYPOJXNIRD-UHFFFAOYSA-N 1 2 231.295 2.775 20 0 BFADLO c1cc2cc(OCCOC3CC3)ccc2c[nH+]1 ZINC000902636908 584648195 /nfs/dbraw/zinc/64/81/95/584648195.db2.gz WVKSFUUOOVOZPX-UHFFFAOYSA-N 1 2 229.279 2.793 20 0 BFADLO CO[C@H](C)COc1ccc2c[nH+]ccc2c1 ZINC000902639147 584648999 /nfs/dbraw/zinc/64/89/99/584648999.db2.gz UJNHDLBIUPSKRY-SNVBAGLBSA-N 1 2 217.268 2.649 20 0 BFADLO OC1(CCOc2ccc3c[nH+]ccc3c2)CC1 ZINC000902637509 584649147 /nfs/dbraw/zinc/64/91/47/584649147.db2.gz JFRCIMUGWIJCMD-UHFFFAOYSA-N 1 2 229.279 2.529 20 0 BFADLO c1cc2cc(OC[C@H]3CCOC3)ccc2c[nH+]1 ZINC000902638639 584649285 /nfs/dbraw/zinc/64/92/85/584649285.db2.gz QGGVCJNVYSWYOO-NSHDSACASA-N 1 2 229.279 2.650 20 0 BFADLO Cn1c[nH+]c2cc(OCC[C@H]3CCCO3)ccc21 ZINC000902781012 584670426 /nfs/dbraw/zinc/67/04/26/584670426.db2.gz BPUBEUREJVSQAM-LLVKDONJSA-N 1 2 246.310 2.521 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995514 584710149 /nfs/dbraw/zinc/71/01/49/584710149.db2.gz NJCZNXNOCTUNNN-MNOVXSKESA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](F)C1 ZINC000902995514 584710150 /nfs/dbraw/zinc/71/01/50/584710150.db2.gz NJCZNXNOCTUNNN-MNOVXSKESA-N 1 2 245.338 2.541 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(CF)cc2)CCC1=O ZINC000801943521 584724601 /nfs/dbraw/zinc/72/46/01/584724601.db2.gz XXECKXBTLYKOJH-NSHDSACASA-N 1 2 235.302 2.567 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(CF)cc2)CCC1=O ZINC000801943521 584724602 /nfs/dbraw/zinc/72/46/02/584724602.db2.gz XXECKXBTLYKOJH-NSHDSACASA-N 1 2 235.302 2.567 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cncs1 ZINC000903309336 584747684 /nfs/dbraw/zinc/74/76/84/584747684.db2.gz DLWCHOGTMIHZKE-LPEHRKFASA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccco1 ZINC000903329860 584753896 /nfs/dbraw/zinc/75/38/96/584753896.db2.gz FJOQSEJVWXAABA-GWCFXTLKSA-N 1 2 243.310 2.872 20 0 BFADLO F[C@@H]1COc2ccccc2[C@@H]1[NH2+]C/C=C/Cl ZINC000903445878 584770102 /nfs/dbraw/zinc/77/01/02/584770102.db2.gz WOPHQQUFHURUKE-XAIJNJMXSA-N 1 2 241.693 2.800 20 0 BFADLO CC[NH2+]Cc1noc([C@@]2(C)CCC[C@@H]2CC)n1 ZINC000904075757 584839825 /nfs/dbraw/zinc/83/98/25/584839825.db2.gz QABKESHUPDUMQV-GWCFXTLKSA-N 1 2 237.347 2.647 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc(CC(C)(C)C)n1 ZINC000904272970 584859332 /nfs/dbraw/zinc/85/93/32/584859332.db2.gz NYRUFLIMMFCAJG-UHFFFAOYSA-N 1 2 246.314 2.611 20 0 BFADLO CCC(CC)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260338 584859433 /nfs/dbraw/zinc/85/94/33/584859433.db2.gz PAXMKVQRYJEADD-UHFFFAOYSA-N 1 2 246.314 2.926 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc(C2=CCCC2)n1 ZINC000904260677 584859464 /nfs/dbraw/zinc/85/94/64/584859464.db2.gz SNLIOULMYYOIKS-UHFFFAOYSA-N 1 2 242.282 2.590 20 0 BFADLO CCC[C@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260290 584859552 /nfs/dbraw/zinc/85/95/52/584859552.db2.gz NKATXKXTIRCQME-QMMMGPOBSA-N 1 2 246.314 2.926 20 0 BFADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761093382 584909764 /nfs/dbraw/zinc/90/97/64/584909764.db2.gz NOKQELQWDRLXJR-ZJUUUORDSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@@H]3C[C@@H]32)o1 ZINC000761093382 584909765 /nfs/dbraw/zinc/90/97/65/584909765.db2.gz NOKQELQWDRLXJR-ZJUUUORDSA-N 1 2 220.316 2.566 20 0 BFADLO Cc1cc(N(C)CCc2ccccc2F)nc[nH+]1 ZINC000732047655 584933019 /nfs/dbraw/zinc/93/30/19/584933019.db2.gz YKYXGDPBYZVIHC-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO CCOCC[N@H+](CC)Cc1ncc(C(C)C)o1 ZINC000733310769 584946807 /nfs/dbraw/zinc/94/68/07/584946807.db2.gz VXYNKVURUPKLQG-UHFFFAOYSA-N 1 2 240.347 2.656 20 0 BFADLO CCOCC[N@@H+](CC)Cc1ncc(C(C)C)o1 ZINC000733310769 584946808 /nfs/dbraw/zinc/94/68/08/584946808.db2.gz VXYNKVURUPKLQG-UHFFFAOYSA-N 1 2 240.347 2.656 20 0 BFADLO O=C(O[C@H]1C=CCCC1)c1ccc2[nH+]ccn2c1 ZINC000733494284 584949935 /nfs/dbraw/zinc/94/99/35/584949935.db2.gz PWPJFDAHNCLLMI-LBPRGKRZSA-N 1 2 242.278 2.600 20 0 BFADLO Cc1nonc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000734148764 584957783 /nfs/dbraw/zinc/95/77/83/584957783.db2.gz KVEOOVHPGJOTGI-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1nc(SCc2[nH+]ccn2C)sc1C ZINC000741855045 584987323 /nfs/dbraw/zinc/98/73/23/584987323.db2.gz HQMGIEKLFWJSRW-UHFFFAOYSA-N 1 2 239.369 2.786 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000736620961 585008272 /nfs/dbraw/zinc/00/82/72/585008272.db2.gz YXOOJEGJBFRCNZ-MRVPVSSYSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000736620961 585008273 /nfs/dbraw/zinc/00/82/73/585008273.db2.gz YXOOJEGJBFRCNZ-MRVPVSSYSA-N 1 2 225.229 2.761 20 0 BFADLO CC[C@H](C)OC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000738651414 585050128 /nfs/dbraw/zinc/05/01/28/585050128.db2.gz RZQPPDBRMLMLEV-NSHDSACASA-N 1 2 246.310 2.527 20 0 BFADLO C[C@@H]1CC=C(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000838346655 585053301 /nfs/dbraw/zinc/05/33/01/585053301.db2.gz OZXOUKRBLMOFHD-GFCCVEGCSA-N 1 2 248.326 2.563 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000839132567 585094071 /nfs/dbraw/zinc/09/40/71/585094071.db2.gz IHWRADDWDIZMBZ-YPMHNXCESA-N 1 2 249.354 2.606 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2cc(Cl)cs2)C1 ZINC000839133599 585094182 /nfs/dbraw/zinc/09/41/82/585094182.db2.gz ROAOTRWIHDESJL-UHFFFAOYSA-N 1 2 245.775 2.604 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)C1(F)CCCC1 ZINC000839360965 585101850 /nfs/dbraw/zinc/10/18/50/585101850.db2.gz UJQAIXFFHVORGJ-UHFFFAOYSA-N 1 2 247.273 2.555 20 0 BFADLO Cc1nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c(=S)s1 ZINC000740860936 585107731 /nfs/dbraw/zinc/10/77/31/585107731.db2.gz JQRPTNCFXFSYLK-YUMQZZPRSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(=S)s1 ZINC000740860936 585107732 /nfs/dbraw/zinc/10/77/32/585107732.db2.gz JQRPTNCFXFSYLK-YUMQZZPRSA-N 1 2 243.401 2.670 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1cccs1 ZINC000741774285 585118151 /nfs/dbraw/zinc/11/81/51/585118151.db2.gz DBRLDAJFUFBZCB-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000741774285 585118152 /nfs/dbraw/zinc/11/81/52/585118152.db2.gz DBRLDAJFUFBZCB-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO C[C@@H](CC(=O)Nc1cccc2[nH+]ccn21)C1CC1 ZINC000741970767 585121343 /nfs/dbraw/zinc/12/13/43/585121343.db2.gz MMXCWFNETPNJCK-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO Cc1ccc([N@H+](C)CC2(C)COC2)c(C)c1 ZINC000743841643 585140337 /nfs/dbraw/zinc/14/03/37/585140337.db2.gz PJBHRZRIJVLEDI-UHFFFAOYSA-N 1 2 219.328 2.776 20 0 BFADLO Cc1ccc([N@@H+](C)CC2(C)COC2)c(C)c1 ZINC000743841643 585140338 /nfs/dbraw/zinc/14/03/38/585140338.db2.gz PJBHRZRIJVLEDI-UHFFFAOYSA-N 1 2 219.328 2.776 20 0 BFADLO Cc1ccc2[nH]c(C[NH2+]Cc3ccoc3)nc2c1 ZINC000744447128 585150396 /nfs/dbraw/zinc/15/03/96/585150396.db2.gz IGAKATQYLRCNEV-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1ccc2nc(C[NH2+]Cc3ccoc3)[nH]c2c1 ZINC000744447128 585150397 /nfs/dbraw/zinc/15/03/97/585150397.db2.gz IGAKATQYLRCNEV-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO FCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000746499584 585168760 /nfs/dbraw/zinc/16/87/60/585168760.db2.gz KXGPTVYHJHZUMH-UHFFFAOYSA-N 1 2 211.255 2.760 20 0 BFADLO FCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000746499584 585168761 /nfs/dbraw/zinc/16/87/61/585168761.db2.gz KXGPTVYHJHZUMH-UHFFFAOYSA-N 1 2 211.255 2.760 20 0 BFADLO CCOC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000746504556 585169060 /nfs/dbraw/zinc/16/90/60/585169060.db2.gz WNSIIYAZJMBJFA-VQHVLOKHSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)C[C@H]1CCCCO1 ZINC000746502046 585169191 /nfs/dbraw/zinc/16/91/91/585169191.db2.gz BVHUNUWPGGTXTN-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)C[C@H]1CCCCO1 ZINC000746502046 585169192 /nfs/dbraw/zinc/16/91/92/585169192.db2.gz BVHUNUWPGGTXTN-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)C[C@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000747785028 585184345 /nfs/dbraw/zinc/18/43/45/585184345.db2.gz YJWTVHBECMPABK-NSHDSACASA-N 1 2 238.331 2.536 20 0 BFADLO CCC[C@@H](C)OC(=O)c1ccc(C)[nH+]c1NC ZINC000748111698 585187232 /nfs/dbraw/zinc/18/72/32/585187232.db2.gz KTLCXPXYLXLQBW-SNVBAGLBSA-N 1 2 236.315 2.777 20 0 BFADLO CCC/C(C)=C/C(=O)Nc1c[nH+]ccc1OC ZINC000748207121 585189120 /nfs/dbraw/zinc/18/91/20/585189120.db2.gz FLWRKTYBMRSSFA-CSKARUKUSA-N 1 2 234.299 2.775 20 0 BFADLO O=C(CCCn1cc[nH+]c1)OC[C@@H]1CC=CCC1 ZINC000748602955 585194400 /nfs/dbraw/zinc/19/44/00/585194400.db2.gz HNSHKRIYMFVCEP-CYBMUJFWSA-N 1 2 248.326 2.563 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749996591 585209306 /nfs/dbraw/zinc/20/93/06/585209306.db2.gz ONCQCODLCMSUMO-UHFFFAOYSA-N 1 2 247.342 2.751 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1ccc(C)cc1 ZINC000750521598 585216499 /nfs/dbraw/zinc/21/64/99/585216499.db2.gz VXQSAYZPHWFQTJ-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO C[Si](C)(C)C[N@H+](CCCO)c1ccccc1 ZINC000751033121 585223897 /nfs/dbraw/zinc/22/38/97/585223897.db2.gz LSMOOGNOHCCTSZ-UHFFFAOYSA-N 1 2 237.419 2.753 20 0 BFADLO C[Si](C)(C)C[N@@H+](CCCO)c1ccccc1 ZINC000751033121 585223898 /nfs/dbraw/zinc/22/38/98/585223898.db2.gz LSMOOGNOHCCTSZ-UHFFFAOYSA-N 1 2 237.419 2.753 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H]2C2CC2)[nH+]1 ZINC000751224999 585226153 /nfs/dbraw/zinc/22/61/53/585226153.db2.gz FWSXEAJXMRHDFN-LBPRGKRZSA-N 1 2 242.326 2.645 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000751378712 585228403 /nfs/dbraw/zinc/22/84/03/585228403.db2.gz KRGOZXKOMHWJOY-UHFFFAOYSA-N 1 2 229.283 2.629 20 0 BFADLO Cc1nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c(=S)s1 ZINC000751925497 585239146 /nfs/dbraw/zinc/23/91/46/585239146.db2.gz FVRFKLOTSGLGDA-YUMQZZPRSA-N 1 2 243.401 2.528 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000753600576 585263474 /nfs/dbraw/zinc/26/34/74/585263474.db2.gz QNUJSWDDLMYFHI-NGPGYTDTSA-N 1 2 246.310 2.775 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OCC1CCC1 ZINC000753821467 585270436 /nfs/dbraw/zinc/27/04/36/585270436.db2.gz ISDYHQTYQDNBDG-UHFFFAOYSA-N 1 2 218.300 2.642 20 0 BFADLO Fc1cccc2c1CC[N@H+](C/C=C\Cl)C2 ZINC000757145679 585329327 /nfs/dbraw/zinc/32/93/27/585329327.db2.gz LBYBWGSUIVZUBN-KXFIGUGUSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1cccc2c1CC[N@@H+](C/C=C\Cl)C2 ZINC000757145679 585329328 /nfs/dbraw/zinc/32/93/28/585329328.db2.gz LBYBWGSUIVZUBN-KXFIGUGUSA-N 1 2 225.694 2.936 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)C(C)=C(C)C)c1 ZINC000757711332 585344612 /nfs/dbraw/zinc/34/46/12/585344612.db2.gz CFQAOXAUHANZDH-UHFFFAOYSA-N 1 2 249.310 2.798 20 0 BFADLO C[C@@H]1CC[C@@H](C)[NH+]1CC(F)(F)C(F)F ZINC000757862998 585346163 /nfs/dbraw/zinc/34/61/63/585346163.db2.gz WOLRRRNNDVEPJA-RNFRBKRXSA-N 1 2 213.218 2.760 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCF ZINC000759326054 585367507 /nfs/dbraw/zinc/36/75/07/585367507.db2.gz CVQROQJXVLSAJO-QMMMGPOBSA-N 1 2 217.234 2.927 20 0 BFADLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCF ZINC000759326054 585367508 /nfs/dbraw/zinc/36/75/08/585367508.db2.gz CVQROQJXVLSAJO-QMMMGPOBSA-N 1 2 217.234 2.927 20 0 BFADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCF ZINC000759341461 585369145 /nfs/dbraw/zinc/36/91/45/585369145.db2.gz GSOQIOWOEGFNLO-DYEKYZERSA-N 1 2 237.318 2.806 20 0 BFADLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCF ZINC000759341461 585369146 /nfs/dbraw/zinc/36/91/46/585369146.db2.gz GSOQIOWOEGFNLO-DYEKYZERSA-N 1 2 237.318 2.806 20 0 BFADLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCF ZINC000759343374 585369730 /nfs/dbraw/zinc/36/97/30/585369730.db2.gz DLEWHLYECZCNTL-CYBMUJFWSA-N 1 2 247.317 2.680 20 0 BFADLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCF ZINC000759343374 585369731 /nfs/dbraw/zinc/36/97/31/585369731.db2.gz DLEWHLYECZCNTL-CYBMUJFWSA-N 1 2 247.317 2.680 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCF ZINC000759345989 585370303 /nfs/dbraw/zinc/37/03/03/585370303.db2.gz VEPYEAYAVJQNFH-VIFPVBQESA-N 1 2 211.255 2.714 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCF ZINC000759345989 585370304 /nfs/dbraw/zinc/37/03/04/585370304.db2.gz VEPYEAYAVJQNFH-VIFPVBQESA-N 1 2 211.255 2.714 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CC[C@H](C(F)F)C2)o1 ZINC000761109905 585410410 /nfs/dbraw/zinc/41/04/10/585410410.db2.gz QPCIMSPRVRTABS-VIFPVBQESA-N 1 2 244.285 2.885 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC000761109905 585410411 /nfs/dbraw/zinc/41/04/11/585410411.db2.gz QPCIMSPRVRTABS-VIFPVBQESA-N 1 2 244.285 2.885 20 0 BFADLO CCC(CC)[C@H](C)C(=O)OCc1c[nH+]cn1C ZINC000762070578 585425511 /nfs/dbraw/zinc/42/55/11/585425511.db2.gz BCTLSUQLDYYPHG-JTQLQIEISA-N 1 2 238.331 2.536 20 0 BFADLO CCCCCCc1nc(Cc2c[nH+]cn2C)no1 ZINC000762407258 585431853 /nfs/dbraw/zinc/43/18/53/585431853.db2.gz HTKPGTARIHBVMM-UHFFFAOYSA-N 1 2 248.330 2.517 20 0 BFADLO CN(C)c1cc(CSc2ccncc2)cc[nH+]1 ZINC000762481936 585432859 /nfs/dbraw/zinc/43/28/59/585432859.db2.gz WGXFVNGFZHWXKY-UHFFFAOYSA-N 1 2 245.351 2.835 20 0 BFADLO CC(C)OCC(N)=[NH+]OCCCC1CCCC1 ZINC000764550825 585467787 /nfs/dbraw/zinc/46/77/87/585467787.db2.gz WGRCSSRUUZBTGR-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO Cc1cc([NH2+]CC2(C)CCC2)ccc1OCCO ZINC000766212264 585498889 /nfs/dbraw/zinc/49/88/89/585498889.db2.gz GPLKRJSSCUPRAD-UHFFFAOYSA-N 1 2 249.354 2.968 20 0 BFADLO Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccon1)CCC2 ZINC000766422023 585502248 /nfs/dbraw/zinc/50/22/48/585502248.db2.gz ZVQZRYXEOMBWBF-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccc2c(c1)COC2 ZINC000766421903 585502324 /nfs/dbraw/zinc/50/23/24/585502324.db2.gz XJDGXTFKTNSRHU-JTQLQIEISA-N 1 2 244.294 2.556 20 0 BFADLO CC[N@H+](C[C@H](C)CO)c1ccc(C)cc1C ZINC000766915092 585511424 /nfs/dbraw/zinc/51/14/24/585511424.db2.gz YXPOQFACHNVIQI-LBPRGKRZSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@H](C)CO)c1ccc(C)cc1C ZINC000766915092 585511425 /nfs/dbraw/zinc/51/14/25/585511425.db2.gz YXPOQFACHNVIQI-LBPRGKRZSA-N 1 2 221.344 2.758 20 0 BFADLO CC(C)=C(C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000767565707 585522581 /nfs/dbraw/zinc/52/25/81/585522581.db2.gz MJCRMGGBCIEFHD-UHFFFAOYSA-N 1 2 248.326 2.547 20 0 BFADLO Cc1cc(C[NH+]2CCSCC2)cnc1Cl ZINC000768237392 585534565 /nfs/dbraw/zinc/53/45/65/585534565.db2.gz QUZHTJHFTMFXFM-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000768922190 585546249 /nfs/dbraw/zinc/54/62/49/585546249.db2.gz KICCWQMTTKWYMX-ZHRWSRJISA-N 1 2 242.363 2.902 20 0 BFADLO CC/C=C/CCO[NH+]=C(N)COC(C)(C)C ZINC000768932242 585546286 /nfs/dbraw/zinc/54/62/86/585546286.db2.gz MPFAYIQIESRCQW-VOTSOKGWSA-N 1 2 228.336 2.656 20 0 BFADLO COc1ccc(NCc2ccc(Cl)nc2)[nH+]c1 ZINC000769405455 585555759 /nfs/dbraw/zinc/55/57/59/585555759.db2.gz GLTCQDCQPMLTAZ-UHFFFAOYSA-N 1 2 249.701 2.751 20 0 BFADLO CCCC(=CC(=O)NCCc1[nH]cc[nH+]1)CCC ZINC000770749984 585581212 /nfs/dbraw/zinc/58/12/12/585581212.db2.gz ZGYZOUSYPVPIPE-UHFFFAOYSA-N 1 2 249.358 2.595 20 0 BFADLO CCCC(=CC(=O)NCc1[nH]c[nH+]c1C)CCC ZINC000770770114 585581603 /nfs/dbraw/zinc/58/16/03/585581603.db2.gz GARBOELHOSWLTD-UHFFFAOYSA-N 1 2 249.358 2.861 20 0 BFADLO CC(C)[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921492 585584376 /nfs/dbraw/zinc/58/43/76/585584376.db2.gz CGDXSDRXAXZLRD-LLVKDONJSA-N 1 2 246.310 2.670 20 0 BFADLO COc1cc[nH+]cc1COC(=O)/C=C\C(C)(C)C ZINC000805451021 585600185 /nfs/dbraw/zinc/60/01/85/585600185.db2.gz XFBIKUMJJOJXIL-ALCCZGGFSA-N 1 2 249.310 2.736 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)C1(F)CCCC1 ZINC000772974462 585628583 /nfs/dbraw/zinc/62/85/83/585628583.db2.gz FMZXJAXQQVHQHX-UHFFFAOYSA-N 1 2 247.273 2.555 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C1=CCCCC1 ZINC000805534597 585672697 /nfs/dbraw/zinc/67/26/97/585672697.db2.gz JXVOLSFFFIGFMI-UHFFFAOYSA-N 1 2 247.294 2.634 20 0 BFADLO CC[C@](C)([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000775388047 585677021 /nfs/dbraw/zinc/67/70/21/585677021.db2.gz NIICEZRYSLCDJV-AWEZNQCLSA-N 1 2 245.326 2.793 20 0 BFADLO CCCCC[C@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000775754483 585684157 /nfs/dbraw/zinc/68/41/57/585684157.db2.gz WDNQATWMIIXNLG-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCCCC[C@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000775754483 585684158 /nfs/dbraw/zinc/68/41/58/585684158.db2.gz WDNQATWMIIXNLG-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)C1(F)CCCC1 ZINC000776161516 585691462 /nfs/dbraw/zinc/69/14/62/585691462.db2.gz ZVFUWVHOWYSYQA-UHFFFAOYSA-N 1 2 247.273 2.555 20 0 BFADLO CC[N@H+](CC(=O)OCC(C)C)Cc1ccccc1 ZINC000776574582 585701039 /nfs/dbraw/zinc/70/10/39/585701039.db2.gz JPFZVNQVXKUFDT-UHFFFAOYSA-N 1 2 249.354 2.708 20 0 BFADLO CC[N@@H+](CC(=O)OCC(C)C)Cc1ccccc1 ZINC000776574582 585701040 /nfs/dbraw/zinc/70/10/40/585701040.db2.gz JPFZVNQVXKUFDT-UHFFFAOYSA-N 1 2 249.354 2.708 20 0 BFADLO CC[C@@H]([NH2+]CC(=O)OCC(C)C)c1ccccc1 ZINC000776606352 585702698 /nfs/dbraw/zinc/70/26/98/585702698.db2.gz VMUAVIBWQVUIEV-CQSZACIVSA-N 1 2 249.354 2.927 20 0 BFADLO O=C(C=C1CCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777452588 585712414 /nfs/dbraw/zinc/71/24/14/585712414.db2.gz HZTGWYNUPIIXAH-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO CCC/C(C)=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454730 585712505 /nfs/dbraw/zinc/71/25/05/585712505.db2.gz QWFWMECWQFGBTF-IIANPFDCSA-N 1 2 247.342 2.820 20 0 BFADLO FCc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000777539437 585714685 /nfs/dbraw/zinc/71/46/85/585714685.db2.gz RQCIGXKTQRHZHN-UHFFFAOYSA-N 1 2 220.247 2.596 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642978 585717899 /nfs/dbraw/zinc/71/78/99/585717899.db2.gz HCGIWPVZOCQDOF-RYUDHWBXSA-N 1 2 236.359 2.896 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(OC)c(CO)c1)C1CC1 ZINC000777651575 585717972 /nfs/dbraw/zinc/71/79/72/585717972.db2.gz XKNBNCQZAOAWSD-CYBMUJFWSA-N 1 2 235.327 2.788 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(OCCO)cc1)C1CC1 ZINC000777687129 585718636 /nfs/dbraw/zinc/71/86/36/585718636.db2.gz GRBQXSFKXLPMGX-CQSZACIVSA-N 1 2 235.327 2.658 20 0 BFADLO c1csc(-c2ccn(C[N@H+]3CC=CCC3)n2)c1 ZINC000778577738 585737687 /nfs/dbraw/zinc/73/76/87/585737687.db2.gz VLUAABUCKMASEI-UHFFFAOYSA-N 1 2 245.351 2.831 20 0 BFADLO c1csc(-c2ccn(C[N@@H+]3CC=CCC3)n2)c1 ZINC000778577738 585737688 /nfs/dbraw/zinc/73/76/88/585737688.db2.gz VLUAABUCKMASEI-UHFFFAOYSA-N 1 2 245.351 2.831 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1ccon1)c1ccc(F)cn1 ZINC000779401951 585753242 /nfs/dbraw/zinc/75/32/42/585753242.db2.gz GBYWDUXRHRMAID-ZDUSSCGKSA-N 1 2 249.289 2.696 20 0 BFADLO C[C@H](CCO)[NH2+]c1ccc(OCC(F)F)cc1 ZINC000779422483 585754587 /nfs/dbraw/zinc/75/45/87/585754587.db2.gz VWQGXAGQNBTMKL-SECBINFHSA-N 1 2 245.269 2.513 20 0 BFADLO Cc1cc([NH2+][C@H](C)CCO)ccc1OC(C)C ZINC000779422689 585754730 /nfs/dbraw/zinc/75/47/30/585754730.db2.gz QXBCBUDAQBNQBA-GFCCVEGCSA-N 1 2 237.343 2.965 20 0 BFADLO C[C@H](CCO)[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000779423496 585754925 /nfs/dbraw/zinc/75/49/25/585754925.db2.gz PRZSZUXUSOMHFZ-SECBINFHSA-N 1 2 242.750 2.589 20 0 BFADLO CC/C(C)=C(/C)C(=O)Nc1c[nH+]ccc1OC ZINC000779887810 585769523 /nfs/dbraw/zinc/76/95/23/585769523.db2.gz PHULJWGHPINNGU-KTKRTIGZSA-N 1 2 234.299 2.775 20 0 BFADLO Cc1cc(NC[C@H]2CCC=CO2)nc(C2CC2)[nH+]1 ZINC000780623746 585782354 /nfs/dbraw/zinc/78/23/54/585782354.db2.gz YHCUWEGXEXQBJT-GFCCVEGCSA-N 1 2 245.326 2.767 20 0 BFADLO Cc1cc([NH2+][C@@H](C)C(C)C)ccc1OCCO ZINC000782783898 585824431 /nfs/dbraw/zinc/82/44/31/585824431.db2.gz QPSIOLQJYRWSAZ-LBPRGKRZSA-N 1 2 237.343 2.823 20 0 BFADLO Cc1cn2cc(NC(=O)[C@@H](F)C(C)C)ccc2[nH+]1 ZINC000784088901 585849220 /nfs/dbraw/zinc/84/92/20/585849220.db2.gz PZLQDBZMPMRIEG-LBPRGKRZSA-N 1 2 249.289 2.575 20 0 BFADLO Cc1nc(F)ccc1CNc1ccc[nH+]c1C ZINC000784276770 585854212 /nfs/dbraw/zinc/85/42/12/585854212.db2.gz BBTQJAMZQAKRON-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CC[C@@H](NC(=O)/C(C)=C/C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421028 585873389 /nfs/dbraw/zinc/87/33/89/585873389.db2.gz KNRQARYODXRLQD-PBQZMEPESA-N 1 2 249.358 2.969 20 0 BFADLO CC[C@@H](NC(=O)C(C)=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421028 585873390 /nfs/dbraw/zinc/87/33/90/585873390.db2.gz KNRQARYODXRLQD-PBQZMEPESA-N 1 2 249.358 2.969 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785422022 585873464 /nfs/dbraw/zinc/87/34/64/585873464.db2.gz YVBNCKAQUDENLI-USKTWTLRSA-N 1 2 235.331 2.723 20 0 BFADLO CCC(C)=C(C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785422022 585873465 /nfs/dbraw/zinc/87/34/65/585873465.db2.gz YVBNCKAQUDENLI-USKTWTLRSA-N 1 2 235.331 2.723 20 0 BFADLO Cc1c([C@@H](C)[NH2+]Cc2ccon2)cnn1C(C)C ZINC000786914002 585898581 /nfs/dbraw/zinc/89/85/81/585898581.db2.gz FDWBWHSEUDVADT-SNVBAGLBSA-N 1 2 248.330 2.611 20 0 BFADLO COc1ccc(F)cc1-c1cn2c([nH+]1)CCC2 ZINC000788866041 585931392 /nfs/dbraw/zinc/93/13/92/585931392.db2.gz AMQDBSNDTOLYNM-UHFFFAOYSA-N 1 2 232.258 2.644 20 0 BFADLO CCOc1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000788866934 585931709 /nfs/dbraw/zinc/93/17/09/585931709.db2.gz JPTIHGZCBZOTTK-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO CCCC[C@@H](CC)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789626330 585947293 /nfs/dbraw/zinc/94/72/93/585947293.db2.gz FHHYDWHGUZIVAM-VXGBXAGGSA-N 1 2 242.363 2.880 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000789742896 585949169 /nfs/dbraw/zinc/94/91/69/585949169.db2.gz CWKUQKJGUAUTDX-XSNHNAGMSA-N 1 2 247.338 2.631 20 0 BFADLO CC(C)c1cnc(C[N@H+]2[C@H](C)C[C@@H]2C)o1 ZINC000791577825 585984759 /nfs/dbraw/zinc/98/47/59/585984759.db2.gz NLPVXAWWHMLEHD-AOOOYVTPSA-N 1 2 208.305 2.781 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2[C@H](C)C[C@@H]2C)o1 ZINC000791577825 585984760 /nfs/dbraw/zinc/98/47/60/585984760.db2.gz NLPVXAWWHMLEHD-AOOOYVTPSA-N 1 2 208.305 2.781 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792151407 585996503 /nfs/dbraw/zinc/99/65/03/585996503.db2.gz QWXDYBPTZDSSHQ-CSKARUKUSA-N 1 2 248.326 2.699 20 0 BFADLO C[C@@H]1CCC[C@H]1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792141184 585996518 /nfs/dbraw/zinc/99/65/18/585996518.db2.gz LZOXQGHFFRLISF-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC000793368444 586017684 /nfs/dbraw/zinc/01/76/84/586017684.db2.gz ZOESCTJVBKHSIV-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)n(C)n1 ZINC000793547097 586022426 /nfs/dbraw/zinc/02/24/26/586022426.db2.gz KGEUKWXZRPHMIN-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO C[C@@H]1CCSCC[N@@H+]1CC(F)(F)C(F)F ZINC000794570194 586044145 /nfs/dbraw/zinc/04/41/45/586044145.db2.gz GUYRWQNBXWFDDM-SSDOTTSWSA-N 1 2 245.285 2.714 20 0 BFADLO C[C@@H]1CCSCC[N@H+]1CC(F)(F)C(F)F ZINC000794570194 586044146 /nfs/dbraw/zinc/04/41/46/586044146.db2.gz GUYRWQNBXWFDDM-SSDOTTSWSA-N 1 2 245.285 2.714 20 0 BFADLO CC[N@H+](CC1CCC1)Cn1ncsc1=S ZINC000794684604 586046799 /nfs/dbraw/zinc/04/67/99/586046799.db2.gz XKBCHHWCMNMRGZ-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO CC[N@@H+](CC1CCC1)Cn1ncsc1=S ZINC000794684604 586046800 /nfs/dbraw/zinc/04/68/00/586046800.db2.gz XKBCHHWCMNMRGZ-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO CC1=C(C)C[N@H+](Cn2cc(Cl)cn2)CC1 ZINC000794878287 586052979 /nfs/dbraw/zinc/05/29/79/586052979.db2.gz BSTATEPBSAXWQT-UHFFFAOYSA-N 1 2 225.723 2.536 20 0 BFADLO CC1=C(C)C[N@@H+](Cn2cc(Cl)cn2)CC1 ZINC000794878287 586052981 /nfs/dbraw/zinc/05/29/81/586052981.db2.gz BSTATEPBSAXWQT-UHFFFAOYSA-N 1 2 225.723 2.536 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCCCCF ZINC000795210654 586072204 /nfs/dbraw/zinc/07/22/04/586072204.db2.gz VDHKRXKFSJSDOX-UHFFFAOYSA-N 1 2 230.308 2.539 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000795654145 586090180 /nfs/dbraw/zinc/09/01/80/586090180.db2.gz TWQBEYVFCDVESV-CYBMUJFWSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000795654145 586090181 /nfs/dbraw/zinc/09/01/81/586090181.db2.gz TWQBEYVFCDVESV-CYBMUJFWSA-N 1 2 247.338 2.521 20 0 BFADLO C[C@@H]([NH2+]Cc1ccoc1)c1c(F)cncc1F ZINC000796527332 586106142 /nfs/dbraw/zinc/10/61/42/586106142.db2.gz RMYVOCAHPTZISV-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO CC(C)n1ccnc1C[NH+]1CCC(F)(F)CC1 ZINC000796542503 586106553 /nfs/dbraw/zinc/10/65/53/586106553.db2.gz HSZUVAQJLIEUOA-UHFFFAOYSA-N 1 2 243.301 2.695 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000796775202 586112207 /nfs/dbraw/zinc/11/22/07/586112207.db2.gz JNRSTPWCHUPYSY-JTQLQIEISA-N 1 2 233.290 2.708 20 0 BFADLO CC1=CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000797999329 586135480 /nfs/dbraw/zinc/13/54/80/586135480.db2.gz UCTKPTINGHDLFA-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC1=CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000797999329 586135481 /nfs/dbraw/zinc/13/54/81/586135481.db2.gz UCTKPTINGHDLFA-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC[N@H+](CC[C@@H](C)O)c1ccc(C)cc1C ZINC000798195073 586139553 /nfs/dbraw/zinc/13/95/53/586139553.db2.gz CRILPGPKDXOJMP-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@@H](C)O)c1ccc(C)cc1C ZINC000798195073 586139554 /nfs/dbraw/zinc/13/95/54/586139554.db2.gz CRILPGPKDXOJMP-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO C/C(=C\C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000798262210 586142054 /nfs/dbraw/zinc/14/20/54/586142054.db2.gz KARGDGXBEHMPRI-CSKARUKUSA-N 1 2 241.294 2.629 20 0 BFADLO COC(=O)CC1(C[N@H+](C)c2ccc(C)cc2)CC1 ZINC000799298835 586169560 /nfs/dbraw/zinc/16/95/60/586169560.db2.gz MGOVBUGHMXMAAI-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO COC(=O)CC1(C[N@@H+](C)c2ccc(C)cc2)CC1 ZINC000799298835 586169563 /nfs/dbraw/zinc/16/95/63/586169563.db2.gz MGOVBUGHMXMAAI-UHFFFAOYSA-N 1 2 247.338 2.775 20 0 BFADLO C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCC1(C)C ZINC000799491205 586180560 /nfs/dbraw/zinc/18/05/60/586180560.db2.gz FMENTYWCBNDLER-VXGBXAGGSA-N 1 2 239.359 2.593 20 0 BFADLO C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCC1(C)C ZINC000799491205 586180563 /nfs/dbraw/zinc/18/05/63/586180563.db2.gz FMENTYWCBNDLER-VXGBXAGGSA-N 1 2 239.359 2.593 20 0 BFADLO CC(C)OC[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000800247559 586206574 /nfs/dbraw/zinc/20/65/74/586206574.db2.gz XLXQQMWKBAVGBZ-LBPRGKRZSA-N 1 2 236.359 2.978 20 0 BFADLO CC(C)c1cnc(C[NH+](C2CC2)C2CC2)o1 ZINC000859623002 589049690 /nfs/dbraw/zinc/04/96/90/589049690.db2.gz IDTSBDFMTFQIAB-UHFFFAOYSA-N 1 2 220.316 2.925 20 0 BFADLO COc1ccc([NH2+][C@H]2CC[C@H]2C2CC2)cc1CO ZINC000806156702 586406041 /nfs/dbraw/zinc/40/60/41/586406041.db2.gz IMEGZWFGGAJABA-KBPBESRZSA-N 1 2 247.338 2.788 20 0 BFADLO CC[NH2+]Cc1noc(/C=C\C2CCCCC2)n1 ZINC000843144715 586432102 /nfs/dbraw/zinc/43/21/02/586432102.db2.gz IOGVVFXFXHUOOH-HJWRWDBZSA-N 1 2 235.331 2.773 20 0 BFADLO CC[NH2+]Cc1noc(C[C@H]2CCCC[C@@H]2C)n1 ZINC000843145269 586445199 /nfs/dbraw/zinc/44/51/99/586445199.db2.gz HOLXOEPZEBSTNO-WDEREUQCSA-N 1 2 237.347 2.548 20 0 BFADLO Cn1c[nH+]c(CNc2ccc3scnc3c2)c1 ZINC000808409403 586471497 /nfs/dbraw/zinc/47/14/97/586471497.db2.gz HWEUYHKYRJXMSM-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO CC(C)C(=O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000808742538 586486635 /nfs/dbraw/zinc/48/66/35/586486635.db2.gz XDJBZMPDCRFFHC-UHFFFAOYSA-N 1 2 247.329 2.969 20 0 BFADLO CC(C)C(=O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000808742538 586486636 /nfs/dbraw/zinc/48/66/36/586486636.db2.gz XDJBZMPDCRFFHC-UHFFFAOYSA-N 1 2 247.329 2.969 20 0 BFADLO COc1cc(C)c([NH2+]C[C@@H](C)CO)c(C)c1C ZINC000809191631 586501081 /nfs/dbraw/zinc/50/10/81/586501081.db2.gz BFFVQXXOSPMIIL-SECBINFHSA-N 1 2 237.343 2.661 20 0 BFADLO Cc1cccc(C[N@@H+]2Cc3ccncc3C2)c1 ZINC000809566287 586506857 /nfs/dbraw/zinc/50/68/57/586506857.db2.gz YEOJYFOKRDXONK-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1cccc(C[N@H+]2Cc3ccncc3C2)c1 ZINC000809566287 586506858 /nfs/dbraw/zinc/50/68/58/586506858.db2.gz YEOJYFOKRDXONK-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO c1cc([C@H]2CCCC[N@H+]2Cc2ccoc2)n[nH]1 ZINC000809693025 586513437 /nfs/dbraw/zinc/51/34/37/586513437.db2.gz MJMCMNOUFJKXDT-CYBMUJFWSA-N 1 2 231.299 2.730 20 0 BFADLO c1cc([C@H]2CCCC[N@@H+]2Cc2ccoc2)n[nH]1 ZINC000809693025 586513438 /nfs/dbraw/zinc/51/34/38/586513438.db2.gz MJMCMNOUFJKXDT-CYBMUJFWSA-N 1 2 231.299 2.730 20 0 BFADLO CCc1ccc([N@H+](CCCO)C(C)C)cc1 ZINC000810032216 586531846 /nfs/dbraw/zinc/53/18/46/586531846.db2.gz IRFBCIXAOZPBJO-UHFFFAOYSA-N 1 2 221.344 2.846 20 0 BFADLO CCc1ccc([N@@H+](CCCO)C(C)C)cc1 ZINC000810032216 586531847 /nfs/dbraw/zinc/53/18/47/586531847.db2.gz IRFBCIXAOZPBJO-UHFFFAOYSA-N 1 2 221.344 2.846 20 0 BFADLO C[C@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc[nH]1 ZINC000840279721 586594846 /nfs/dbraw/zinc/59/48/46/586594846.db2.gz FNZVYCGCDJIQCF-VIFPVBQESA-N 1 2 243.314 2.552 20 0 BFADLO C[C@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc[nH]1 ZINC000840279721 586594847 /nfs/dbraw/zinc/59/48/47/586594847.db2.gz FNZVYCGCDJIQCF-VIFPVBQESA-N 1 2 243.314 2.552 20 0 BFADLO O[C@@H](CCOc1cc[nH+]cc1)c1ccccc1 ZINC000814266009 586621012 /nfs/dbraw/zinc/62/10/12/586621012.db2.gz UXDAOGWULWYRMC-AWEZNQCLSA-N 1 2 229.279 2.584 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2C[C@H](C)[C@H]2C)o1 ZINC000815164010 586672220 /nfs/dbraw/zinc/67/22/20/586672220.db2.gz YCTRLRIIYBKPSC-VHSXEESVSA-N 1 2 208.305 2.638 20 0 BFADLO CC(C)c1cnc(C[N@H+]2C[C@H](C)[C@H]2C)o1 ZINC000815164010 586672221 /nfs/dbraw/zinc/67/22/21/586672221.db2.gz YCTRLRIIYBKPSC-VHSXEESVSA-N 1 2 208.305 2.638 20 0 BFADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000815606499 586688682 /nfs/dbraw/zinc/68/86/82/586688682.db2.gz YRMRIFKLKXDLPR-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1sccc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000816600712 586743659 /nfs/dbraw/zinc/74/36/59/586743659.db2.gz FSDWENSMQSHZMB-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO Cc1sccc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000816600712 586743662 /nfs/dbraw/zinc/74/36/62/586743662.db2.gz FSDWENSMQSHZMB-SNVBAGLBSA-N 1 2 247.310 2.522 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000816648209 586749966 /nfs/dbraw/zinc/74/99/66/586749966.db2.gz GRWADQQZXXZJMV-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000816648209 586749968 /nfs/dbraw/zinc/74/99/68/586749968.db2.gz GRWADQQZXXZJMV-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2F)[C@H]1C ZINC000816648392 586750217 /nfs/dbraw/zinc/75/02/17/586750217.db2.gz JXFCYFYBFKPURS-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)[C@H]1C ZINC000816648392 586750219 /nfs/dbraw/zinc/75/02/19/586750219.db2.gz JXFCYFYBFKPURS-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2CC23CC3)c(C)[nH+]1 ZINC000817233819 586788775 /nfs/dbraw/zinc/78/87/75/586788775.db2.gz XELODFBZGSRJDI-GFCCVEGCSA-N 1 2 231.295 2.542 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC1(O)CCCC1 ZINC000819409208 586961978 /nfs/dbraw/zinc/96/19/78/586961978.db2.gz PATNIDYLACSCMR-UHFFFAOYSA-N 1 2 248.370 2.778 20 0 BFADLO CCCC[C@@H](CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819763383 586991034 /nfs/dbraw/zinc/99/10/34/586991034.db2.gz BNSTXOWZLZBTBX-NXEZZACHSA-N 1 2 242.388 2.810 20 0 BFADLO CC[C@H](CC(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781448 586993639 /nfs/dbraw/zinc/99/36/39/586993639.db2.gz OKBDSDNLKRBINV-VHSXEESVSA-N 1 2 242.388 2.666 20 0 BFADLO CCCC(C)(C)CC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782704 586994488 /nfs/dbraw/zinc/99/44/88/586994488.db2.gz PTYLPEIJSPRGGF-VIFPVBQESA-N 1 2 242.388 2.810 20 0 BFADLO C[C@H](CC(C)(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819783212 586994922 /nfs/dbraw/zinc/99/49/22/586994922.db2.gz RKWSCVPPQQNNCH-BDAKNGLRSA-N 1 2 242.388 2.666 20 0 BFADLO CC(C)SCC[N@@H+]1Cc2ccncc2C1 ZINC000821259794 587104139 /nfs/dbraw/zinc/10/41/39/587104139.db2.gz LAKBZHXVCFCCFS-UHFFFAOYSA-N 1 2 222.357 2.539 20 0 BFADLO CC(C)SCC[N@H+]1Cc2ccncc2C1 ZINC000821259794 587104140 /nfs/dbraw/zinc/10/41/40/587104140.db2.gz LAKBZHXVCFCCFS-UHFFFAOYSA-N 1 2 222.357 2.539 20 0 BFADLO CC(C)=C(C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000821514847 587124158 /nfs/dbraw/zinc/12/41/58/587124158.db2.gz AZPXWAMBCDPAFS-GFCCVEGCSA-N 1 2 247.342 2.820 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000822008817 587149205 /nfs/dbraw/zinc/14/92/05/587149205.db2.gz WRBWSLRCQSHLRH-WDEREUQCSA-N 1 2 237.347 2.803 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000860184587 589088201 /nfs/dbraw/zinc/08/82/01/589088201.db2.gz HIGJZNBEEOSVIW-OTDNITJGSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000860184587 589088202 /nfs/dbraw/zinc/08/82/02/589088202.db2.gz HIGJZNBEEOSVIW-OTDNITJGSA-N 1 2 237.372 2.716 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)C1=CCCC1 ZINC000822311327 587161952 /nfs/dbraw/zinc/16/19/52/587161952.db2.gz VIDWZYUVYNLXCF-UHFFFAOYSA-N 1 2 248.326 2.861 20 0 BFADLO CC(C)CC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822325342 587162533 /nfs/dbraw/zinc/16/25/33/587162533.db2.gz DQVCLRWKGOMMMZ-UHFFFAOYSA-N 1 2 238.331 2.797 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C=CCC1 ZINC000823312556 587215919 /nfs/dbraw/zinc/21/59/19/587215919.db2.gz ZDDDGISXMOCRKF-NSHDSACASA-N 1 2 231.299 2.539 20 0 BFADLO CCC[C@@H](CC)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000823381105 587219030 /nfs/dbraw/zinc/21/90/30/587219030.db2.gz IZKDCXRRITXJDM-SNVBAGLBSA-N 1 2 237.347 2.587 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000823390912 587219757 /nfs/dbraw/zinc/21/97/57/587219757.db2.gz PAPCPJFNWORYII-SRVKXCTJSA-N 1 2 249.358 2.831 20 0 BFADLO CC1=CC[N@H+](Cc2cc(F)ncc2F)CC1 ZINC000823458989 587223360 /nfs/dbraw/zinc/22/33/60/587223360.db2.gz LONAYEDRCNSHCG-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO CC1=CC[N@@H+](Cc2cc(F)ncc2F)CC1 ZINC000823458989 587223361 /nfs/dbraw/zinc/22/33/61/587223361.db2.gz LONAYEDRCNSHCG-UHFFFAOYSA-N 1 2 224.254 2.512 20 0 BFADLO C/C=C(\C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836123 587241726 /nfs/dbraw/zinc/24/17/26/587241726.db2.gz DCLOPIUFILKQMQ-VMPITWQZSA-N 1 2 204.273 2.603 20 0 BFADLO C/C=C(/CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836218 587242002 /nfs/dbraw/zinc/24/20/02/587242002.db2.gz GEGRKMQKOBZXTM-WZUFQYTHSA-N 1 2 218.300 2.993 20 0 BFADLO C/C=C(\CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836217 587242063 /nfs/dbraw/zinc/24/20/63/587242063.db2.gz GEGRKMQKOBZXTM-VZUCSPMQSA-N 1 2 218.300 2.993 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccnc(Cl)c1F ZINC000824313988 587266012 /nfs/dbraw/zinc/26/60/12/587266012.db2.gz FHVBQIFZVBNRGY-YUMQZZPRSA-N 1 2 228.698 2.857 20 0 BFADLO FCC(CF)[NH2+]Cc1cncc2ccccc21 ZINC000824554280 587275772 /nfs/dbraw/zinc/27/57/72/587275772.db2.gz DRTCOKVVCFYXLU-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)cnc1Cl ZINC000824571072 587277199 /nfs/dbraw/zinc/27/71/99/587277199.db2.gz IIWXNIPHYFYJTK-JTQLQIEISA-N 1 2 228.698 2.587 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)cnc1Cl ZINC000824571072 587277200 /nfs/dbraw/zinc/27/72/00/587277200.db2.gz IIWXNIPHYFYJTK-JTQLQIEISA-N 1 2 228.698 2.587 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C(C)=C1CCC1 ZINC000825535630 587324083 /nfs/dbraw/zinc/32/40/83/587324083.db2.gz DBYRZZAOKCVCCT-UHFFFAOYSA-N 1 2 232.283 2.529 20 0 BFADLO CCCCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000825543743 587324277 /nfs/dbraw/zinc/32/42/77/587324277.db2.gz AUCZTKKCSXGJND-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2cnccn2)cc[nH+]1 ZINC000828698537 587457808 /nfs/dbraw/zinc/45/78/08/587457808.db2.gz KYNYUXFWNPLCHL-SNVBAGLBSA-N 1 2 243.314 2.563 20 0 BFADLO CC[N@H+](CCSC)C/C(Cl)=C/Cl ZINC000830999042 587580830 /nfs/dbraw/zinc/58/08/30/587580830.db2.gz CAUAIRSWCLMQBV-VURMDHGXSA-N 1 2 228.188 2.990 20 0 BFADLO CC[N@@H+](CCSC)C/C(Cl)=C/Cl ZINC000830999042 587580831 /nfs/dbraw/zinc/58/08/31/587580831.db2.gz CAUAIRSWCLMQBV-VURMDHGXSA-N 1 2 228.188 2.990 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)OC2CCCC2)c2[nH+]ccn21 ZINC000832420128 587659322 /nfs/dbraw/zinc/65/93/22/587659322.db2.gz JJNWTOMUUGFBKL-GXSJLCMTSA-N 1 2 249.314 2.558 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833271315 587703514 /nfs/dbraw/zinc/70/35/14/587703514.db2.gz GKFBSHFGNWJBBR-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@@H](C)[NH2+]c1ccc(O[C@H]2CC(=O)N2)cc1 ZINC000834891188 587769530 /nfs/dbraw/zinc/76/95/30/587769530.db2.gz ABOLWCNNKZYMBI-YGRLFVJLSA-N 1 2 248.326 2.512 20 0 BFADLO CCC1C[NH+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000835074502 587780356 /nfs/dbraw/zinc/78/03/56/587780356.db2.gz JFAKRASLWJLFDC-UHFFFAOYSA-N 1 2 248.157 2.569 20 0 BFADLO Cn1c[nH+]cc1COC(=O)C1=CCC(C)(C)CC1 ZINC000835193495 587788026 /nfs/dbraw/zinc/78/80/26/587788026.db2.gz FKSLBQGBROALNK-UHFFFAOYSA-N 1 2 248.326 2.600 20 0 BFADLO CC(C)=CC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000835507488 587806250 /nfs/dbraw/zinc/80/62/50/587806250.db2.gz VMYYWCIVCBFPQB-UHFFFAOYSA-N 1 2 244.294 2.753 20 0 BFADLO CCC(C)(C)c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000867169385 587827667 /nfs/dbraw/zinc/82/76/67/587827667.db2.gz KNNNCYYXRYRRLK-JTQLQIEISA-N 1 2 248.330 2.757 20 0 BFADLO CCC/C(C)=C\C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836953636 587843423 /nfs/dbraw/zinc/84/34/23/587843423.db2.gz GKVXBRJTMNMYNN-NRCZCXPTSA-N 1 2 247.342 2.752 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836955706 587843826 /nfs/dbraw/zinc/84/38/26/587843826.db2.gz RWFZAVAPUGRFKA-BJLXZBBLSA-N 1 2 247.342 2.752 20 0 BFADLO CCCCCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836958100 587844256 /nfs/dbraw/zinc/84/42/56/587844256.db2.gz GANCVSSYKPTEHQ-NEPJUHHUSA-N 1 2 249.358 2.976 20 0 BFADLO CC(C)OCC(N)=[NH+]OCCC1=CCCCC1 ZINC000842024601 587988935 /nfs/dbraw/zinc/98/89/35/587988935.db2.gz JBDIDHGBWDAQAC-UHFFFAOYSA-N 1 2 240.347 2.800 20 0 BFADLO C[C@H]1[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C[C@H]1C ZINC000842165739 588005668 /nfs/dbraw/zinc/00/56/68/588005668.db2.gz FIMIGYZOQXUNQI-BWZBUEFSSA-N 1 2 227.245 2.863 20 0 BFADLO C[C@H]1[C@@H](C)[N@H+](CC(F)(F)C(F)F)C[C@H]1C ZINC000842165739 588005670 /nfs/dbraw/zinc/00/56/70/588005670.db2.gz FIMIGYZOQXUNQI-BWZBUEFSSA-N 1 2 227.245 2.863 20 0 BFADLO NC(=[NH+]OCC1=CCCC1)c1cccc(F)c1 ZINC000842647844 588048539 /nfs/dbraw/zinc/04/85/39/588048539.db2.gz IDJXHVOUMUOXOM-UHFFFAOYSA-N 1 2 234.274 2.783 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccnn1CC(C)C ZINC000842692109 588053203 /nfs/dbraw/zinc/05/32/03/588053203.db2.gz IKPXACZMXDPDKA-UHFFFAOYSA-N 1 2 244.342 2.855 20 0 BFADLO CC[NH2+]Cc1noc(C[C@@H](C)c2ccccc2)n1 ZINC000843145424 588086764 /nfs/dbraw/zinc/08/67/64/588086764.db2.gz GZYCQKCRXICZNL-LLVKDONJSA-N 1 2 245.326 2.525 20 0 BFADLO Cc1cc(-c2ccc3c(c2)[C@H](O)CCO3)cc[nH+]1 ZINC000844232169 588175587 /nfs/dbraw/zinc/17/55/87/588175587.db2.gz KWNDGZRWMABNLG-CQSZACIVSA-N 1 2 241.290 2.873 20 0 BFADLO FC1(F)CC(C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000844378075 588188380 /nfs/dbraw/zinc/18/83/80/588188380.db2.gz LUDYGQJOZMVQPD-UHFFFAOYSA-N 1 2 225.229 2.763 20 0 BFADLO FC1(F)CC(C[N@H+]2CCCC(F)(F)C2)C1 ZINC000844378075 588188381 /nfs/dbraw/zinc/18/83/81/588188381.db2.gz LUDYGQJOZMVQPD-UHFFFAOYSA-N 1 2 225.229 2.763 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)[C@@H]1CCCOC1 ZINC000844404014 588189978 /nfs/dbraw/zinc/18/99/78/588189978.db2.gz JCHVSMQPZCZKQU-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)[C@@H]1CCCOC1 ZINC000844404014 588189979 /nfs/dbraw/zinc/18/99/79/588189979.db2.gz JCHVSMQPZCZKQU-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CCC(CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845285786 588225800 /nfs/dbraw/zinc/22/58/00/588225800.db2.gz SXZUKNDHDHFLSZ-JTQLQIEISA-N 1 2 224.304 2.566 20 0 BFADLO CC(C)C[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284275 588225882 /nfs/dbraw/zinc/22/58/82/588225882.db2.gz AQJIMVKKBLKTRY-NEPJUHHUSA-N 1 2 238.331 2.812 20 0 BFADLO CCC(CC)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845554875 588233464 /nfs/dbraw/zinc/23/34/64/588233464.db2.gz OZDXNUYDXICWDT-NSHDSACASA-N 1 2 238.331 2.814 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)[C@H](C)CO1 ZINC000845660310 588239713 /nfs/dbraw/zinc/23/97/13/588239713.db2.gz CDRYUAHDPBXTIT-VXGBXAGGSA-N 1 2 249.358 2.604 20 0 BFADLO CC(C)(NC(=O)C=C1CCCCC1)c1[nH]cc[nH+]1 ZINC000846245069 588262600 /nfs/dbraw/zinc/26/26/00/588262600.db2.gz CUUPIQVKXKZHTN-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO C[C@H]1CC/C(=C/C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000846244595 588262670 /nfs/dbraw/zinc/26/26/70/588262670.db2.gz LCLHMDGHQVNKDV-RGAIUGGKSA-N 1 2 247.342 2.507 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@H]3CCCOCC3)ccc2O1 ZINC000846749268 588284919 /nfs/dbraw/zinc/28/49/19/588284919.db2.gz DBAQWCQNCVEAAI-YPMHNXCESA-N 1 2 247.338 2.991 20 0 BFADLO C[N@H+](Cc1cnsn1)C1CCC(C)(C)CC1 ZINC000846812405 588290909 /nfs/dbraw/zinc/29/09/09/588290909.db2.gz AGKHEIUGXXALNH-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO C[N@@H+](Cc1cnsn1)C1CCC(C)(C)CC1 ZINC000846812405 588290910 /nfs/dbraw/zinc/29/09/10/588290910.db2.gz AGKHEIUGXXALNH-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO CC1(C)CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846824757 588291100 /nfs/dbraw/zinc/29/11/00/588291100.db2.gz GTYZRPQVNBJLBP-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CC1(C)CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846824757 588291101 /nfs/dbraw/zinc/29/11/01/588291101.db2.gz GTYZRPQVNBJLBP-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CCCCOC(=O)C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000847061309 588305606 /nfs/dbraw/zinc/30/56/06/588305606.db2.gz MCGOTADTGDOBOP-GFCCVEGCSA-N 1 2 239.359 2.807 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cccc(Cl)n1 ZINC000107038619 588323647 /nfs/dbraw/zinc/32/36/47/588323647.db2.gz WEAZJMKJHNUADW-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccco1 ZINC000107288717 588346352 /nfs/dbraw/zinc/34/63/52/588346352.db2.gz MVQCGGKOOCVSNA-SNAWJCMRSA-N 1 2 228.251 2.635 20 0 BFADLO COc1ccccc1N[C@H]1CCCn2cc[nH+]c21 ZINC000848537401 588394392 /nfs/dbraw/zinc/39/43/92/588394392.db2.gz HIWDBCYFARSQKM-LBPRGKRZSA-N 1 2 243.310 2.839 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2ccon2)c(C)c1 ZINC000850171049 588523551 /nfs/dbraw/zinc/52/35/51/588523551.db2.gz WQVUXRAHILTCNW-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO c1[nH+]cc(NC[C@@H]2CCCOC2)c2c1CCCC2 ZINC000850343210 588537579 /nfs/dbraw/zinc/53/75/79/588537579.db2.gz QXBAPHQAJUPVCQ-LBPRGKRZSA-N 1 2 246.354 2.799 20 0 BFADLO COc1cc(C)c(C)cc1NCc1[nH]cc[nH+]1 ZINC000850353877 588538075 /nfs/dbraw/zinc/53/80/75/588538075.db2.gz OZHWWWFUDVMWDT-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO C[C@H](NCC(F)(F)C(C)(C)C)c1[nH]cc[nH+]1 ZINC000850573002 588561413 /nfs/dbraw/zinc/56/14/13/588561413.db2.gz SAUTVBTXEMHJRG-QMMMGPOBSA-N 1 2 231.290 2.742 20 0 BFADLO c1coc(C[N@H+](Cc2cnon2)C2CCCC2)c1 ZINC000851730708 588618961 /nfs/dbraw/zinc/61/89/61/588618961.db2.gz QMSNWDOVSPOXGF-UHFFFAOYSA-N 1 2 247.298 2.607 20 0 BFADLO c1coc(C[N@@H+](Cc2cnon2)C2CCCC2)c1 ZINC000851730708 588618962 /nfs/dbraw/zinc/61/89/62/588618962.db2.gz QMSNWDOVSPOXGF-UHFFFAOYSA-N 1 2 247.298 2.607 20 0 BFADLO Cc1ccccc1C[N@H+](Cc1cnon1)C1CC1 ZINC000851738586 588620805 /nfs/dbraw/zinc/62/08/05/588620805.db2.gz LMDBDFOPCOXPDF-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccccc1C[N@@H+](Cc1cnon1)C1CC1 ZINC000851738586 588620806 /nfs/dbraw/zinc/62/08/06/588620806.db2.gz LMDBDFOPCOXPDF-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)[C@@H]1C[N@H+](CC=C(Cl)Cl)CCO1 ZINC000851910310 588642815 /nfs/dbraw/zinc/64/28/15/588642815.db2.gz ODGXDNVXAJVBAR-VIFPVBQESA-N 1 2 238.158 2.662 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCO1 ZINC000851910310 588642816 /nfs/dbraw/zinc/64/28/16/588642816.db2.gz ODGXDNVXAJVBAR-VIFPVBQESA-N 1 2 238.158 2.662 20 0 BFADLO c1cc(C[N@@H+]2Cc3cccnc3C2)cs1 ZINC000852008505 588654792 /nfs/dbraw/zinc/65/47/92/588654792.db2.gz VSLDJGAIXWMLNV-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO c1cc(C[N@H+]2Cc3cccnc3C2)cs1 ZINC000852008505 588654793 /nfs/dbraw/zinc/65/47/93/588654793.db2.gz VSLDJGAIXWMLNV-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1cnon1 ZINC000852016108 588655593 /nfs/dbraw/zinc/65/55/93/588655593.db2.gz UVLGVICDEXJURT-SECBINFHSA-N 1 2 249.339 2.642 20 0 BFADLO CC[C@H]1C[N@H+](CC=C(Cl)Cl)[C@@H](C)CO1 ZINC000852210756 588672431 /nfs/dbraw/zinc/67/24/31/588672431.db2.gz ACVKRRQJSHPIPS-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1C[N@@H+](CC=C(Cl)Cl)[C@@H](C)CO1 ZINC000852210756 588672432 /nfs/dbraw/zinc/67/24/32/588672432.db2.gz ACVKRRQJSHPIPS-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1cc(Cn2c(C)[nH+]c3ccccc32)on1 ZINC000008486220 588704718 /nfs/dbraw/zinc/70/47/18/588704718.db2.gz XFHZTQNSGYWDGW-UHFFFAOYSA-N 1 2 227.267 2.689 20 0 BFADLO CCc1cc(N)nc(SCSC(C)C)[nH+]1 ZINC000863328028 589280220 /nfs/dbraw/zinc/28/02/20/589280220.db2.gz GHANUFQYOXROEU-UHFFFAOYSA-N 1 2 243.401 2.812 20 0 BFADLO CCC(=O)c1ccccc1NCc1[nH+]ccn1C ZINC000863365702 589283862 /nfs/dbraw/zinc/28/38/62/589283862.db2.gz PFAWHBGZGJRNDF-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000863577743 589300968 /nfs/dbraw/zinc/30/09/68/589300968.db2.gz IXSRYBANXONVGK-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO Cc1[nH]cc(-c2ccc3c(c2)C[C@H](C)O3)[nH+]1 ZINC000863679667 589310300 /nfs/dbraw/zinc/31/03/00/589310300.db2.gz GMOJOXJXGIHNOG-QMMMGPOBSA-N 1 2 214.268 2.709 20 0 BFADLO CNc1ccc(-c2cn(C)nc2C(C)C)c[nH+]1 ZINC000863692340 589310884 /nfs/dbraw/zinc/31/08/84/589310884.db2.gz DSDUGGLTKBNEHO-UHFFFAOYSA-N 1 2 230.315 2.647 20 0 BFADLO c1[nH+]c2n(c1-c1cccc3c1OCC3)CCCC2 ZINC000863974774 589330880 /nfs/dbraw/zinc/33/08/80/589330880.db2.gz QEJMQOKFPSLSLW-UHFFFAOYSA-N 1 2 240.306 2.821 20 0 BFADLO Cc1cc(-c2c[nH+]c3n2CCCC3)co1 ZINC000863975396 589331137 /nfs/dbraw/zinc/33/11/37/589331137.db2.gz OSXQETQFTHHHJN-UHFFFAOYSA-N 1 2 202.257 2.788 20 0 BFADLO C[C@@H](O)c1cccc(NCC2CC(C)C2)[nH+]1 ZINC000864093906 589344315 /nfs/dbraw/zinc/34/43/15/589344315.db2.gz YENXLQUHIFDWFO-HSOILSAZSA-N 1 2 220.316 2.593 20 0 BFADLO C[C@@H](O)c1cccc(NCC[C@H]2CC2(F)F)[nH+]1 ZINC000864093819 589344526 /nfs/dbraw/zinc/34/45/26/589344526.db2.gz VKNBEESEWSARPT-BDAKNGLRSA-N 1 2 242.269 2.592 20 0 BFADLO CCSCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376067 589428088 /nfs/dbraw/zinc/42/80/88/589428088.db2.gz XTLSMAVIJXEMMA-UHFFFAOYSA-N 1 2 212.362 2.934 20 0 BFADLO CCC[C@H](O)CCCSCc1c[nH+]cn1C ZINC000865380184 589429502 /nfs/dbraw/zinc/42/95/02/589429502.db2.gz JATKLIKBPLKSHI-LBPRGKRZSA-N 1 2 242.388 2.595 20 0 BFADLO C[C@H]1C[C@@H]1CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865442536 589435922 /nfs/dbraw/zinc/43/59/22/589435922.db2.gz NTNIQSPLJFWIKN-NKWVEPMBSA-N 1 2 236.706 2.679 20 0 BFADLO CCc1csc(Nc2ccc(NC)[nH+]c2)n1 ZINC000865449039 589436703 /nfs/dbraw/zinc/43/67/03/589436703.db2.gz RIGYONPAJDLUBT-UHFFFAOYSA-N 1 2 234.328 2.886 20 0 BFADLO CC(C)Cc1cc(NC[C@@H]2CCCOC2)nc[nH+]1 ZINC000865457671 589437242 /nfs/dbraw/zinc/43/72/42/589437242.db2.gz NGHYHFHVEWWKCQ-LBPRGKRZSA-N 1 2 249.358 2.514 20 0 BFADLO CC(C)Cc1cc(NC[C@@]2(C)CCOC2)nc[nH+]1 ZINC000865537246 589444076 /nfs/dbraw/zinc/44/40/76/589444076.db2.gz DWVQTMXXDAGCFN-CQSZACIVSA-N 1 2 249.358 2.514 20 0 BFADLO CCCCc1cc(NCCOC2CCC2)nc[nH+]1 ZINC000865564046 589446810 /nfs/dbraw/zinc/44/68/10/589446810.db2.gz ICTMFSNFAXYSKJ-UHFFFAOYSA-N 1 2 249.358 2.800 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1c(Cl)cncc1Cl ZINC000865579125 589448562 /nfs/dbraw/zinc/44/85/62/589448562.db2.gz UJTQGAMOHMQGEC-LURJTMIESA-N 1 2 237.105 2.836 20 0 BFADLO CC1(CNc2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000865580880 589448830 /nfs/dbraw/zinc/44/88/30/589448830.db2.gz GUVQXGGHDOUTLV-UHFFFAOYSA-N 1 2 236.706 2.823 20 0 BFADLO CC[C@@H](C)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865607233 589450387 /nfs/dbraw/zinc/45/03/87/589450387.db2.gz FNXAGAAXLUNCKB-SSDOTTSWSA-N 1 2 238.722 2.798 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCCOCC2)nc[nH+]1 ZINC000865660176 589454936 /nfs/dbraw/zinc/45/49/36/589454936.db2.gz JRPHOEUUTZWTIM-GFCCVEGCSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1csc(N2CCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000865661375 589454976 /nfs/dbraw/zinc/45/49/76/589454976.db2.gz NEJDBWRVCGMVCA-SNVBAGLBSA-N 1 2 248.355 2.770 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000865728414 589458730 /nfs/dbraw/zinc/45/87/30/589458730.db2.gz CZPKFCGOKOPGOK-YPMHNXCESA-N 1 2 249.358 2.512 20 0 BFADLO C[C@@H](O)c1ccc(N2CC3(CCC3)C[C@H]2C)[nH+]c1 ZINC000865728385 589458898 /nfs/dbraw/zinc/45/88/98/589458898.db2.gz UXCXIMSRNMCODE-VXGBXAGGSA-N 1 2 246.354 2.904 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NCCF ZINC000865752442 589460807 /nfs/dbraw/zinc/46/08/07/589460807.db2.gz VTXIAPSEOPNPQG-UHFFFAOYSA-N 1 2 222.185 2.790 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000865793382 589462129 /nfs/dbraw/zinc/46/21/29/589462129.db2.gz ICDHWGQOICQEJO-APPZFPTMSA-N 1 2 248.717 2.552 20 0 BFADLO C[C@H](O)c1ccc(N2CCC[C@@H](C3CC3)C2)[nH+]c1 ZINC000865812020 589462851 /nfs/dbraw/zinc/46/28/51/589462851.db2.gz HKJTXQCVFKTKJZ-SMDDNHRTSA-N 1 2 246.354 2.761 20 0 BFADLO C[C@H](O)c1ccc(N2CCC[C@H](C3CC3)C2)[nH+]c1 ZINC000865812018 589462860 /nfs/dbraw/zinc/46/28/60/589462860.db2.gz HKJTXQCVFKTKJZ-FZMZJTMJSA-N 1 2 246.354 2.761 20 0 BFADLO CC(C)Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000865823040 589463138 /nfs/dbraw/zinc/46/31/38/589463138.db2.gz AUEHKFSGGYXJIL-SNVBAGLBSA-N 1 2 245.330 2.571 20 0 BFADLO CCC1(CNc2cc(CC(C)C)[nH+]cn2)COC1 ZINC000865858680 589465215 /nfs/dbraw/zinc/46/52/15/589465215.db2.gz DJTFKGPKXMOYSX-UHFFFAOYSA-N 1 2 249.358 2.514 20 0 BFADLO C[C@@H](O)c1ccc(NC[C@@H]2C[C@H]2C2CC2)[nH+]c1 ZINC000865862528 589465972 /nfs/dbraw/zinc/46/59/72/589465972.db2.gz NVTHAPBKPRKHQX-ICCXJUOJSA-N 1 2 232.327 2.593 20 0 BFADLO C[C@@H](O)c1ccc(N2CC[C@H](C3CCC3)C2)[nH+]c1 ZINC000865880915 589466983 /nfs/dbraw/zinc/46/69/83/589466983.db2.gz RWHLUSRYVDZMNN-RISCZKNCSA-N 1 2 246.354 2.761 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CC23CC3)nc[nH+]1 ZINC000865889339 589467408 /nfs/dbraw/zinc/46/74/08/589467408.db2.gz KAMCGMCBLPCORZ-LLVKDONJSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1cc(N2CCC=C(Cl)C2)nc(C)[nH+]1 ZINC000865905250 589467916 /nfs/dbraw/zinc/46/79/16/589467916.db2.gz CZNQLEQRUMVCGC-UHFFFAOYSA-N 1 2 237.734 2.680 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC=C(Cl)C2)[nH+]1 ZINC000865905251 589468053 /nfs/dbraw/zinc/46/80/53/589468053.db2.gz DAIMAECXFWYVGK-UHFFFAOYSA-N 1 2 248.717 2.599 20 0 BFADLO CC(C)c1nc(N[C@H]2C[C@@H](C)O[C@@H]2C)cc[nH+]1 ZINC000866042788 589473590 /nfs/dbraw/zinc/47/35/90/589473590.db2.gz FGFZZGUSVGRIJT-MXWKQRLJSA-N 1 2 235.331 2.578 20 0 BFADLO CO[C@@H]1CC[C@@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000866071996 589474842 /nfs/dbraw/zinc/47/48/42/589474842.db2.gz RTCSFNUYTFDQPM-GHMZBOCLSA-N 1 2 245.326 2.567 20 0 BFADLO CO[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C(C)C)n2)C1 ZINC000866071241 589474904 /nfs/dbraw/zinc/47/49/04/589474904.db2.gz NPRIIKMGDPTPOM-VXGBXAGGSA-N 1 2 249.358 2.604 20 0 BFADLO C[N@@H+]1CCO[C@@H](CSCSC(C)(C)C)C1 ZINC000871675290 589788507 /nfs/dbraw/zinc/78/85/07/589788507.db2.gz JTKPNLMHAIANPC-SNVBAGLBSA-N 1 2 249.445 2.539 20 0 BFADLO C[N@H+]1CCO[C@@H](CSCSC(C)(C)C)C1 ZINC000871675290 589788509 /nfs/dbraw/zinc/78/85/09/589788509.db2.gz JTKPNLMHAIANPC-SNVBAGLBSA-N 1 2 249.445 2.539 20 0 BFADLO C[C@@H](CO[NH+]=C(N)Cc1cccnc1)C(C)(C)C ZINC000871737486 589802136 /nfs/dbraw/zinc/80/21/36/589802136.db2.gz HXDWYZCHPYRUIG-NSHDSACASA-N 1 2 249.358 2.805 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1nocc1C ZINC000871744867 589803924 /nfs/dbraw/zinc/80/39/24/589803924.db2.gz CXHMAUOKEHGHFV-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO CC(C)CC[C@@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989978 589854770 /nfs/dbraw/zinc/85/47/70/589854770.db2.gz WALLVIHKVXZVQH-GFCCVEGCSA-N 1 2 238.375 2.978 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2nonc2C)cs1 ZINC000872135013 589875475 /nfs/dbraw/zinc/87/54/75/589875475.db2.gz BRUUBSMZONMSDU-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CCc1cc(NCC2(OC(C)C)CCC2)nc[nH+]1 ZINC000872706808 589963444 /nfs/dbraw/zinc/96/34/44/589963444.db2.gz ITBINNRDGPLXJY-UHFFFAOYSA-N 1 2 249.358 2.799 20 0 BFADLO CCC1(CC)CCCN1c1cc[nH+]c(C)n1 ZINC000872766158 589967189 /nfs/dbraw/zinc/96/71/89/589967189.db2.gz UFPNEZPFRMIGOZ-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO Nc1nc(N[C@@H]2CC23CCC3)[nH+]c2ccccc12 ZINC000872774667 589967936 /nfs/dbraw/zinc/96/79/36/589967936.db2.gz GLIGXCAMRTXBTA-LLVKDONJSA-N 1 2 240.310 2.567 20 0 BFADLO CCC[C@H](C)C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094471 590073788 /nfs/dbraw/zinc/07/37/88/590073788.db2.gz RQSABJCAVIVUBT-NSHDSACASA-N 1 2 245.330 2.510 20 0 BFADLO CC[N@H+](CCC1OCCO1)c1ccc(C)cc1C ZINC000124804875 590090463 /nfs/dbraw/zinc/09/04/63/590090463.db2.gz UYUOOLRSYJUWGC-UHFFFAOYSA-N 1 2 249.354 2.893 20 0 BFADLO CC[N@@H+](CCC1OCCO1)c1ccc(C)cc1C ZINC000124804875 590090467 /nfs/dbraw/zinc/09/04/67/590090467.db2.gz UYUOOLRSYJUWGC-UHFFFAOYSA-N 1 2 249.354 2.893 20 0 BFADLO CC[C@@H](C)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124910859 590098384 /nfs/dbraw/zinc/09/83/84/590098384.db2.gz DGNBLYDCTBFWFN-GHMZBOCLSA-N 1 2 222.332 2.617 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000874461859 590112703 /nfs/dbraw/zinc/11/27/03/590112703.db2.gz UUKBSGOBFIEYGU-LLVKDONJSA-N 1 2 220.316 2.577 20 0 BFADLO CCC1(CC)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000874630496 590120396 /nfs/dbraw/zinc/12/03/96/590120396.db2.gz SNLPAFDFILWPBB-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CCC1(CC)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000874630496 590120398 /nfs/dbraw/zinc/12/03/98/590120398.db2.gz SNLPAFDFILWPBB-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Clc1csc(C[NH+]2C3CCC2CC3)n1 ZINC000876560000 590215775 /nfs/dbraw/zinc/21/57/75/590215775.db2.gz CPPMYXRFQJTKMJ-UHFFFAOYSA-N 1 2 228.748 2.923 20 0 BFADLO CSC(C)(C)CC[N@H+](C)CC(F)F ZINC000876640346 590225007 /nfs/dbraw/zinc/22/50/07/590225007.db2.gz RMKFEZOLFIRDIZ-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO CSC(C)(C)CC[N@@H+](C)CC(F)F ZINC000876640346 590225009 /nfs/dbraw/zinc/22/50/09/590225009.db2.gz RMKFEZOLFIRDIZ-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2COc3ccc(C)cc32)o1 ZINC000877099820 590282712 /nfs/dbraw/zinc/28/27/12/590282712.db2.gz NWHMJNICJLYPFZ-LBPRGKRZSA-N 1 2 244.294 2.515 20 0 BFADLO CCOc1cccc(F)c1C[N@@H+]1CC[C@H](F)C1 ZINC000877559895 590358988 /nfs/dbraw/zinc/35/89/88/590358988.db2.gz ZJUYENRZMKYZQM-JTQLQIEISA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cccc(F)c1C[N@H+]1CC[C@H](F)C1 ZINC000877559895 590358991 /nfs/dbraw/zinc/35/89/91/590358991.db2.gz ZJUYENRZMKYZQM-JTQLQIEISA-N 1 2 241.281 2.768 20 0 BFADLO Fc1cc(C[N@@H+]2CC[C@@H]2C2CC2)cnc1Cl ZINC000877562642 590359410 /nfs/dbraw/zinc/35/94/10/590359410.db2.gz YIFOPLKPJORCPB-LLVKDONJSA-N 1 2 240.709 2.858 20 0 BFADLO Fc1cc(C[N@H+]2CC[C@@H]2C2CC2)cnc1Cl ZINC000877562642 590359412 /nfs/dbraw/zinc/35/94/12/590359412.db2.gz YIFOPLKPJORCPB-LLVKDONJSA-N 1 2 240.709 2.858 20 0 BFADLO CC1(C)C[NH+](Cc2occc2Br)C1 ZINC000877717897 590399747 /nfs/dbraw/zinc/39/97/47/590399747.db2.gz SRISKRXPRHZDMM-UHFFFAOYSA-N 1 2 244.132 2.884 20 0 BFADLO CC1(C)C[NH+](Cc2cnc(Cl)c(F)c2)C1 ZINC000877717669 590399982 /nfs/dbraw/zinc/39/99/82/590399982.db2.gz OTEUPZFHOIRBED-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO FC(F)(F)c1coc(C[N@@H+]2CCCOCC2)c1 ZINC000878014922 590472175 /nfs/dbraw/zinc/47/21/75/590472175.db2.gz SSCPERJGQAZKFZ-UHFFFAOYSA-N 1 2 249.232 2.521 20 0 BFADLO FC(F)(F)c1coc(C[N@H+]2CCCOCC2)c1 ZINC000878014922 590472180 /nfs/dbraw/zinc/47/21/80/590472180.db2.gz SSCPERJGQAZKFZ-UHFFFAOYSA-N 1 2 249.232 2.521 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878032552 590475844 /nfs/dbraw/zinc/47/58/44/590475844.db2.gz LCTXFGMJWGZXMT-WOPDTQHZSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878032552 590475846 /nfs/dbraw/zinc/47/58/46/590475846.db2.gz LCTXFGMJWGZXMT-WOPDTQHZSA-N 1 2 247.329 2.921 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878052605 590484031 /nfs/dbraw/zinc/48/40/31/590484031.db2.gz VHYYUGBGUZRTJC-VIFPVBQESA-N 1 2 235.318 2.777 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878052605 590484032 /nfs/dbraw/zinc/48/40/32/590484032.db2.gz VHYYUGBGUZRTJC-VIFPVBQESA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878166364 590513034 /nfs/dbraw/zinc/51/30/34/590513034.db2.gz SMNKTQFGPNAXBG-SECBINFHSA-N 1 2 249.232 2.519 20 0 BFADLO CO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878166364 590513036 /nfs/dbraw/zinc/51/30/36/590513036.db2.gz SMNKTQFGPNAXBG-SECBINFHSA-N 1 2 249.232 2.519 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878199453 590522466 /nfs/dbraw/zinc/52/24/66/590522466.db2.gz AMSUHKATKARVET-WOPDTQHZSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878199453 590522469 /nfs/dbraw/zinc/52/24/69/590522469.db2.gz AMSUHKATKARVET-WOPDTQHZSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC2(CCC2)CO1 ZINC000878199728 590523303 /nfs/dbraw/zinc/52/33/03/590523303.db2.gz GAHQJZQVWDDKSK-NSHDSACASA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC2(CCC2)CO1 ZINC000878199728 590523306 /nfs/dbraw/zinc/52/33/06/590523306.db2.gz GAHQJZQVWDDKSK-NSHDSACASA-N 1 2 247.329 2.921 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000878303751 590538180 /nfs/dbraw/zinc/53/81/80/590538180.db2.gz YEPPQIYVJKSVAC-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1conc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000878303751 590538184 /nfs/dbraw/zinc/53/81/84/590538184.db2.gz YEPPQIYVJKSVAC-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nocc1C ZINC000878317824 590543688 /nfs/dbraw/zinc/54/36/88/590543688.db2.gz SJXPLBPCUIGCAZ-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nocc1C ZINC000878317824 590543690 /nfs/dbraw/zinc/54/36/90/590543690.db2.gz SJXPLBPCUIGCAZ-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000878336818 590549178 /nfs/dbraw/zinc/54/91/78/590549178.db2.gz RJEUHXMRYNFKFW-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1conc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000878336818 590549180 /nfs/dbraw/zinc/54/91/80/590549180.db2.gz RJEUHXMRYNFKFW-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H](C)CC(C)(C)C)no1 ZINC000878381313 590557031 /nfs/dbraw/zinc/55/70/31/590557031.db2.gz MHWPXOJSVNTMOL-SNVBAGLBSA-N 1 2 239.363 2.882 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H](C)CC(C)(C)C)no1 ZINC000878381313 590557032 /nfs/dbraw/zinc/55/70/32/590557032.db2.gz MHWPXOJSVNTMOL-SNVBAGLBSA-N 1 2 239.363 2.882 20 0 BFADLO Cc1conc1C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000878432185 590565803 /nfs/dbraw/zinc/56/58/03/590565803.db2.gz YNCCWSCFPSETHW-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO C[C@@H]1C[N@H+](Cc2scnc2Cl)[C@H]1C ZINC000878653086 590602390 /nfs/dbraw/zinc/60/23/90/590602390.db2.gz ZVOXIDRANQOKQD-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2scnc2Cl)[C@H]1C ZINC000878653086 590602391 /nfs/dbraw/zinc/60/23/91/590602391.db2.gz ZVOXIDRANQOKQD-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@H](O)C[N@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878684676 590609458 /nfs/dbraw/zinc/60/94/58/590609458.db2.gz WZXRJVSWAZYTEG-JTQLQIEISA-N 1 2 247.329 2.515 20 0 BFADLO C[C@H](O)C[N@@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878684676 590609460 /nfs/dbraw/zinc/60/94/60/590609460.db2.gz WZXRJVSWAZYTEG-JTQLQIEISA-N 1 2 247.329 2.515 20 0 BFADLO Cc1ncccc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790697 590621167 /nfs/dbraw/zinc/62/11/67/590621167.db2.gz SJCQCNAGGJKCBK-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ncccc1C[N@H+]1CCC=C(Cl)C1 ZINC000878790697 590621169 /nfs/dbraw/zinc/62/11/69/590621169.db2.gz SJCQCNAGGJKCBK-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO ClC1=CCC[N@H+](CCc2cscn2)C1 ZINC000878790802 590622695 /nfs/dbraw/zinc/62/26/95/590622695.db2.gz VXMZHQRSTBNQEY-UHFFFAOYSA-N 1 2 228.748 2.514 20 0 BFADLO ClC1=CCC[N@@H+](CCc2cscn2)C1 ZINC000878790802 590622697 /nfs/dbraw/zinc/62/26/97/590622697.db2.gz VXMZHQRSTBNQEY-UHFFFAOYSA-N 1 2 228.748 2.514 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CCC=C(Cl)C1 ZINC000878791225 590622996 /nfs/dbraw/zinc/62/29/96/590622996.db2.gz JHWGBLYSDDRVSZ-UHFFFAOYSA-N 1 2 226.707 2.620 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CCC=C(Cl)C1 ZINC000878791225 590622998 /nfs/dbraw/zinc/62/29/98/590622998.db2.gz JHWGBLYSDDRVSZ-UHFFFAOYSA-N 1 2 226.707 2.620 20 0 BFADLO Cc1nc(CC[N@@H+]2CCC=C(Cl)C2)cs1 ZINC000878792306 590623889 /nfs/dbraw/zinc/62/38/89/590623889.db2.gz ZNRDNXPVZRDQGX-UHFFFAOYSA-N 1 2 242.775 2.822 20 0 BFADLO Cc1nc(CC[N@H+]2CCC=C(Cl)C2)cs1 ZINC000878792306 590623890 /nfs/dbraw/zinc/62/38/90/590623890.db2.gz ZNRDNXPVZRDQGX-UHFFFAOYSA-N 1 2 242.775 2.822 20 0 BFADLO CCn1nc(C)c(C[N@H+](C)C/C=C/Cl)c1C ZINC000879119330 590699318 /nfs/dbraw/zinc/69/93/18/590699318.db2.gz ZZFWLVZDGXGDJI-VOTSOKGWSA-N 1 2 241.766 2.704 20 0 BFADLO CCn1nc(C)c(C[N@@H+](C)C/C=C/Cl)c1C ZINC000879119330 590699321 /nfs/dbraw/zinc/69/93/21/590699321.db2.gz ZZFWLVZDGXGDJI-VOTSOKGWSA-N 1 2 241.766 2.704 20 0 BFADLO CN(C)c1cc(CSCC2CC2)cc[nH+]1 ZINC000127693964 590755578 /nfs/dbraw/zinc/75/55/78/590755578.db2.gz YCNKMJCWADNYOI-UHFFFAOYSA-N 1 2 222.357 2.791 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1cccc(C)c1F ZINC000879413900 590764350 /nfs/dbraw/zinc/76/43/50/590764350.db2.gz DASFTEIPHOEOAA-UHFFFAOYSA-N 1 2 247.317 2.894 20 0 BFADLO CCON(CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000879796673 590875068 /nfs/dbraw/zinc/87/50/68/590875068.db2.gz QPZJLSXBZONYAK-UHFFFAOYSA-N 1 2 245.326 2.646 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000880085901 590922256 /nfs/dbraw/zinc/92/22/56/590922256.db2.gz GAQJMUZIVIGMNX-GYSYKLTISA-N 1 2 249.358 2.803 20 0 BFADLO Cc1[nH+]cnc(N2CCCCCCC2)c1C ZINC000881746291 591268647 /nfs/dbraw/zinc/26/86/47/591268647.db2.gz QSTNJTJEHZRUQR-UHFFFAOYSA-N 1 2 219.332 2.864 20 0 BFADLO Fc1c[nH+]ccc1N1CCCCCCC1 ZINC000881746454 591268684 /nfs/dbraw/zinc/26/86/84/591268684.db2.gz VRDNYDNTTUFZPO-UHFFFAOYSA-N 1 2 208.280 2.991 20 0 BFADLO Cc1[nH+]cnc(N[C@@H](C)c2ccccn2)c1C ZINC000881754682 591269589 /nfs/dbraw/zinc/26/95/89/591269589.db2.gz UTZVQDSAWNHESO-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO Cc1cc([C@@H]2CCCN2c2cc[nH+]cc2F)no1 ZINC000881791074 591271651 /nfs/dbraw/zinc/27/16/51/591271651.db2.gz BIQVTEWONXWZEM-ZDUSSCGKSA-N 1 2 247.273 2.859 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H](C)C2CC2)c1C ZINC000881843815 591274636 /nfs/dbraw/zinc/27/46/36/591274636.db2.gz MSVYMTRGXWUDPB-MRVPVSSYSA-N 1 2 205.305 2.551 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC=CCC2)c1C ZINC000881996641 591286308 /nfs/dbraw/zinc/28/63/08/591286308.db2.gz YOOLXZHRWUYTPZ-LLVKDONJSA-N 1 2 203.289 2.614 20 0 BFADLO Cc1[nH+]cnc(NCC2(C3CC3)CC2)c1C ZINC000882127815 591302067 /nfs/dbraw/zinc/30/20/67/591302067.db2.gz QKRXEGGPBLCKCL-UHFFFAOYSA-N 1 2 217.316 2.696 20 0 BFADLO CC1(C)C[C@H](COCc2[nH]cc[nH+]2)C(C)(C)O1 ZINC000882148893 591306174 /nfs/dbraw/zinc/30/61/74/591306174.db2.gz AWXUYXMFZMWIEG-SNVBAGLBSA-N 1 2 238.331 2.520 20 0 BFADLO Cc1[nH+]cnc(NCCC[C@@H]2CCCCO2)c1C ZINC000882189547 591312942 /nfs/dbraw/zinc/31/29/42/591312942.db2.gz YJTAYYHFYBWEGQ-ZDUSSCGKSA-N 1 2 249.358 2.855 20 0 BFADLO Cc1[nH+]cnc(N2CC3(C2)CCCCC3)c1C ZINC000882187797 591313037 /nfs/dbraw/zinc/31/30/37/591313037.db2.gz OXXMDPAJIZRSQY-UHFFFAOYSA-N 1 2 231.343 2.864 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CC[C@H](C)C2)c1C ZINC000882229497 591318075 /nfs/dbraw/zinc/31/80/75/591318075.db2.gz MXKIFNFDUDGWBG-KWQFWETISA-N 1 2 205.305 2.694 20 0 BFADLO Cc1[nH+]cnc(NCC2(C(F)(F)F)CC2)c1C ZINC000882350507 591336546 /nfs/dbraw/zinc/33/65/46/591336546.db2.gz FKZGWEJAINAUBG-UHFFFAOYSA-N 1 2 245.248 2.848 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCC2(C)C)c1C ZINC000882363690 591337700 /nfs/dbraw/zinc/33/77/00/591337700.db2.gz JFPXAUNMTNYHFV-SNVBAGLBSA-N 1 2 205.305 2.694 20 0 BFADLO CCOCC(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882379908 591340556 /nfs/dbraw/zinc/34/05/56/591340556.db2.gz DPOHMGJXSCMMIE-UHFFFAOYSA-N 1 2 237.347 2.568 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000129648209 591347535 /nfs/dbraw/zinc/34/75/35/591347535.db2.gz ONYROVHIKGMJPB-GXSJLCMTSA-N 1 2 205.305 2.640 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000129648625 591347962 /nfs/dbraw/zinc/34/79/62/591347962.db2.gz ONYROVHIKGMJPB-MWLCHTKSSA-N 1 2 205.305 2.640 20 0 BFADLO COCC1CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000882461569 591352214 /nfs/dbraw/zinc/35/22/14/591352214.db2.gz WBBSZCGVWJAWOU-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NCC(C)(C)OCC2CC2)c1C ZINC000882457860 591352253 /nfs/dbraw/zinc/35/22/53/591352253.db2.gz WVIFLWFKZPHZAD-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2C(C)(C)C2(F)F)c1C ZINC000882627556 591402504 /nfs/dbraw/zinc/40/25/04/591402504.db2.gz QLOOBOSSCMHDPP-SECBINFHSA-N 1 2 241.285 2.797 20 0 BFADLO CC(C)c1nccc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000882626435 591402778 /nfs/dbraw/zinc/40/27/78/591402778.db2.gz GOCJGIJOTDFEBM-UHFFFAOYSA-N 1 2 245.330 2.670 20 0 BFADLO CO[C@H](CNc1nc[nH+]c(C)c1C)C1CCCC1 ZINC000882632676 591404631 /nfs/dbraw/zinc/40/46/31/591404631.db2.gz XFMGXXIVFHXGOC-CYBMUJFWSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H]3CC[C@@H](C2)S3)c1C ZINC000882651706 591407351 /nfs/dbraw/zinc/40/73/51/591407351.db2.gz UMDVLGKYVGQQPW-NEPJUHHUSA-N 1 2 249.383 2.568 20 0 BFADLO Cc1[nH+]cnc(N2CCCC3(CC3)CC2)c1C ZINC000882669182 591409080 /nfs/dbraw/zinc/40/90/80/591409080.db2.gz VMMLAYMRALIQGG-UHFFFAOYSA-N 1 2 231.343 2.864 20 0 BFADLO OCc1cc[nH+]c(NCCCCC2CC2)c1 ZINC000882694467 591412710 /nfs/dbraw/zinc/41/27/10/591412710.db2.gz KWCYJUIROPMUFX-UHFFFAOYSA-N 1 2 220.316 2.566 20 0 BFADLO O[C@H]1C[C@H](CNc2cc3ccc(F)cc3c[nH+]2)C1 ZINC000882716547 591419778 /nfs/dbraw/zinc/41/97/78/591419778.db2.gz VBFMGYYUMPVQQC-GMZHKTEUSA-N 1 2 246.285 2.557 20 0 BFADLO C=C/C=C\CCNc1cc[nH+]c(C2CC2)n1 ZINC000882796327 591441688 /nfs/dbraw/zinc/44/16/88/591441688.db2.gz ROZHCRMZMCPXPK-ARJAWSKDSA-N 1 2 215.300 2.898 20 0 BFADLO C=C/C=C\CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000882796195 591441818 /nfs/dbraw/zinc/44/18/18/591441818.db2.gz KEPXGCCUXBWDOK-ARJAWSKDSA-N 1 2 244.342 2.621 20 0 BFADLO C=C/C=C\CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000882796195 591441819 /nfs/dbraw/zinc/44/18/19/591441819.db2.gz KEPXGCCUXBWDOK-ARJAWSKDSA-N 1 2 244.342 2.621 20 0 BFADLO Cc1ccc(CN(C)c2ccc([C@@H](C)O)c[nH+]2)o1 ZINC000213226164 591456319 /nfs/dbraw/zinc/45/63/19/591456319.db2.gz YDBPCYRZUBTIMG-LLVKDONJSA-N 1 2 246.310 2.673 20 0 BFADLO Cc1occc1CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000213245833 591457497 /nfs/dbraw/zinc/45/74/97/591457497.db2.gz UBTLJWSTYRYCQR-JTQLQIEISA-N 1 2 246.310 2.673 20 0 BFADLO Cc1occc1CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213244550 591457842 /nfs/dbraw/zinc/45/78/42/591457842.db2.gz UBTLJWSTYRYCQR-SNVBAGLBSA-N 1 2 246.310 2.673 20 0 BFADLO C[C@H](O)c1ccc(N2CCC(C)(C)CC2)[nH+]c1 ZINC000213276234 591458969 /nfs/dbraw/zinc/45/89/69/591458969.db2.gz ZDQSIPFZHJCNKL-NSHDSACASA-N 1 2 234.343 2.761 20 0 BFADLO C[C@@H](O)c1ccc(N2CC[C@@H](C)C[C@H]2C)[nH+]c1 ZINC000213277376 591459299 /nfs/dbraw/zinc/45/92/99/591459299.db2.gz PYPHBLOIFGLPAT-IJLUTSLNSA-N 1 2 234.343 2.760 20 0 BFADLO CC(C)[C@@H]1CCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213304502 591459894 /nfs/dbraw/zinc/45/98/94/591459894.db2.gz VAMFRYFPWJNYCD-YPMHNXCESA-N 1 2 234.343 2.760 20 0 BFADLO C[C@H](O)c1ccc(N2CCC[C@@H](C)CC2)[nH+]c1 ZINC000213288575 591459982 /nfs/dbraw/zinc/45/99/82/591459982.db2.gz AVCGRCJZORAFLL-NEPJUHHUSA-N 1 2 234.343 2.761 20 0 BFADLO COC[C@H]1C[C@@H](Nc2cc(CC(C)C)[nH+]cn2)C1 ZINC000882906622 591473380 /nfs/dbraw/zinc/47/33/80/591473380.db2.gz OVZDYBQXNCDEHQ-BJHJDKERSA-N 1 2 249.358 2.512 20 0 BFADLO CC[C@@H](Nc1nc[nH+]c(C)c1C)[C@H]1CCCOC1 ZINC000882952941 591484006 /nfs/dbraw/zinc/48/40/06/591484006.db2.gz IHFGZEFAXYAAIS-QWHCGFSZSA-N 1 2 249.358 2.711 20 0 BFADLO C=C/C=C/CCO[NH+]=C(N)Cc1cccs1 ZINC000882968448 591487727 /nfs/dbraw/zinc/48/77/27/591487727.db2.gz OMGFAMVNBOVBPD-ONEGZZNKSA-N 1 2 236.340 2.921 20 0 BFADLO C=C/C=C\CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000883030025 591517446 /nfs/dbraw/zinc/51/74/46/591517446.db2.gz RVWZJTKZIZMSJJ-PLNGDYQASA-N 1 2 238.331 2.576 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2c1CCOC2 ZINC000883130417 591545422 /nfs/dbraw/zinc/54/54/22/591545422.db2.gz DFQMHXDRDHGNRW-UHFFFAOYSA-N 1 2 241.281 2.504 20 0 BFADLO COc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)n1 ZINC000883164848 591557919 /nfs/dbraw/zinc/55/79/19/591557919.db2.gz PLIVKYFYQMUCBT-UHFFFAOYSA-N 1 2 246.314 2.549 20 0 BFADLO C[C@@H]([NH2+]C1(c2ncccn2)CCC1)c1ccoc1 ZINC000883313749 591612051 /nfs/dbraw/zinc/61/20/51/591612051.db2.gz LQBRPWIHIRATDQ-LLVKDONJSA-N 1 2 243.310 2.800 20 0 BFADLO C[C@H]([NH2+]C1(c2ncccn2)CCC1)c1ccco1 ZINC000883313911 591612219 /nfs/dbraw/zinc/61/22/19/591612219.db2.gz POIPTASRLQSWEF-NSHDSACASA-N 1 2 243.310 2.800 20 0 BFADLO Cc1cc(N[C@H]2CCSC2)c[nH+]c1C ZINC000883341718 591620168 /nfs/dbraw/zinc/62/01/68/591620168.db2.gz YERXQRAAQJZJCN-JTQLQIEISA-N 1 2 208.330 2.616 20 0 BFADLO Cc1cc(NCc2ccns2)c[nH+]c1C ZINC000883341342 591620328 /nfs/dbraw/zinc/62/03/28/591620328.db2.gz NVYVICFHJKMRKN-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2c[nH+]c(C)c(C)c2)CO1 ZINC000883341720 591620743 /nfs/dbraw/zinc/62/07/43/591620743.db2.gz YFIJVUMRFRKAAV-CHWSQXEVSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(NC[C@H]2CCSC2)c[nH+]c1C ZINC000883341279 591620765 /nfs/dbraw/zinc/62/07/65/591620765.db2.gz MBPXTFPVZDSJPX-LLVKDONJSA-N 1 2 222.357 2.863 20 0 BFADLO Cc1cc(NCc2cscn2)c[nH+]c1C ZINC000883342433 591621305 /nfs/dbraw/zinc/62/13/05/591621305.db2.gz XOFFHRYHEKNLAS-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(N[C@H]2CCCn3ccnc32)c[nH+]c1C ZINC000883342727 591621352 /nfs/dbraw/zinc/62/13/52/591621352.db2.gz JLCAAPAQFAIPJG-ZDUSSCGKSA-N 1 2 242.326 2.842 20 0 BFADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCOC1 ZINC000883342273 591621592 /nfs/dbraw/zinc/62/15/92/591621592.db2.gz RAEQACFEVRAYPF-TZMCWYRMSA-N 1 2 234.343 2.925 20 0 BFADLO CCn1cc(CNc2c[nH+]c(C)c(C)c2)cn1 ZINC000883342390 591621704 /nfs/dbraw/zinc/62/17/04/591621704.db2.gz VHNMFLRVKZKKQR-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342160 591622284 /nfs/dbraw/zinc/62/22/84/591622284.db2.gz MNZARDNDGBVNCA-MNOVXSKESA-N 1 2 208.305 2.534 20 0 BFADLO CC[N@H+](C)[C@@H](C(=O)OCC1CC1)c1ccccc1 ZINC000131616214 591629466 /nfs/dbraw/zinc/62/94/66/591629466.db2.gz DXQQLFSOXCBQCP-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO CC[N@@H+](C)[C@@H](C(=O)OCC1CC1)c1ccccc1 ZINC000131616214 591629469 /nfs/dbraw/zinc/62/94/69/591629469.db2.gz DXQQLFSOXCBQCP-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO CCSCc1ccc[nH+]c1NCc1cn[nH]c1 ZINC000883377248 591636534 /nfs/dbraw/zinc/63/65/34/591636534.db2.gz CDVJBMRBGGJZFF-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@@H]1NCc1[nH]cc[nH+]1 ZINC000883382735 591639459 /nfs/dbraw/zinc/63/94/59/591639459.db2.gz MGKLLVDRQCSHGK-OCCSQVGLSA-N 1 2 245.301 2.525 20 0 BFADLO CCCNc1cc(NCc2ccsc2)nc[nH+]1 ZINC000133280784 591782498 /nfs/dbraw/zinc/78/24/98/591782498.db2.gz BCLGAYBJJGOUAU-UHFFFAOYSA-N 1 2 248.355 2.972 20 0 BFADLO CCCNc1cc(NCc2ccsc2)[nH+]cn1 ZINC000133280784 591782499 /nfs/dbraw/zinc/78/24/99/591782499.db2.gz BCLGAYBJJGOUAU-UHFFFAOYSA-N 1 2 248.355 2.972 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000884025319 591806103 /nfs/dbraw/zinc/80/61/03/591806103.db2.gz SDCIPGZBTXWQRV-IINYFYTJSA-N 1 2 247.342 2.819 20 0 BFADLO CCc1nc(N2CCCC23CCC3)cc[nH+]1 ZINC000884488514 591955358 /nfs/dbraw/zinc/95/53/58/591955358.db2.gz XMOHKKQREDMBJS-UHFFFAOYSA-N 1 2 217.316 2.562 20 0 BFADLO CCc1nc(N[C@@H]2CCCC2(F)F)cc[nH+]1 ZINC000884496665 591956525 /nfs/dbraw/zinc/95/65/25/591956525.db2.gz CMLRQTAQSMJNKX-MRVPVSSYSA-N 1 2 227.258 2.639 20 0 BFADLO CCc1nc(N2CCC(F)(F)[C@@H](C)C2)cc[nH+]1 ZINC000884510308 591961015 /nfs/dbraw/zinc/96/10/15/591961015.db2.gz CUGXKYSENUBOEG-VIFPVBQESA-N 1 2 241.285 2.521 20 0 BFADLO CCc1nc(N2CCC(F)(F)[C@H](C)C2)cc[nH+]1 ZINC000884510307 591961452 /nfs/dbraw/zinc/96/14/52/591961452.db2.gz CUGXKYSENUBOEG-SECBINFHSA-N 1 2 241.285 2.521 20 0 BFADLO CCc1nc(NC[C@H](OC)[C@H](C)CC)cc[nH+]1 ZINC000884518272 591964105 /nfs/dbraw/zinc/96/41/05/591964105.db2.gz KHOFNBJGHXLEAD-MNOVXSKESA-N 1 2 237.347 2.512 20 0 BFADLO CCc1nc(N2C[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000884521369 591964952 /nfs/dbraw/zinc/96/49/52/591964952.db2.gz VIDYFMRZSWXXTP-TXEJJXNPSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(N2C[C@H](C3CC3)[C@@H]2C2CC2)cc[nH+]1 ZINC000884522208 591965098 /nfs/dbraw/zinc/96/50/98/591965098.db2.gz ROPYQIHSACLIJM-DOMZBBRYSA-N 1 2 243.354 2.664 20 0 BFADLO CCc1nc(NC[C@@H](C)c2ccccn2)cc[nH+]1 ZINC000884552352 591976662 /nfs/dbraw/zinc/97/66/62/591976662.db2.gz YJUJXRMOERRMIK-LLVKDONJSA-N 1 2 242.326 2.650 20 0 BFADLO CCc1nc(NCC2=CCCC2)cc[nH+]1 ZINC000884559380 591978899 /nfs/dbraw/zinc/97/88/99/591978899.db2.gz SXTLHUJQHHCNEF-UHFFFAOYSA-N 1 2 203.289 2.561 20 0 BFADLO CCc1nc(N[C@H](C)c2cnc(C)s2)cc[nH+]1 ZINC000884570811 591984112 /nfs/dbraw/zinc/98/41/12/591984112.db2.gz ZIOAHEAYNVSZEP-MRVPVSSYSA-N 1 2 248.355 2.977 20 0 BFADLO COc1ccc(NCc2cc(C)co2)[nH+]c1 ZINC000886026330 592135690 /nfs/dbraw/zinc/13/56/90/592135690.db2.gz UBMKDGKHSIJATR-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052465 592140846 /nfs/dbraw/zinc/14/08/46/592140846.db2.gz RAKOWYAFERGFRN-DZGCQCFKSA-N 1 2 231.339 2.940 20 0 BFADLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052465 592140847 /nfs/dbraw/zinc/14/08/47/592140847.db2.gz RAKOWYAFERGFRN-DZGCQCFKSA-N 1 2 231.339 2.940 20 0 BFADLO FC1=CCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886102593 592155010 /nfs/dbraw/zinc/15/50/10/592155010.db2.gz KOCKLERTQNMKNP-CHWSQXEVSA-N 1 2 225.307 2.503 20 0 BFADLO FC1=CCC[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886102593 592155011 /nfs/dbraw/zinc/15/50/11/592155011.db2.gz KOCKLERTQNMKNP-CHWSQXEVSA-N 1 2 225.307 2.503 20 0 BFADLO Cc1coc(C[NH2+]Cc2nnc(C3CC3)s2)c1 ZINC000886147228 592163507 /nfs/dbraw/zinc/16/35/07/592163507.db2.gz MMILLROEMSVCMA-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ncco1 ZINC000886273578 592193690 /nfs/dbraw/zinc/19/36/90/592193690.db2.gz CARSLIIGUICQID-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CCOc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886274390 592194508 /nfs/dbraw/zinc/19/45/08/592194508.db2.gz RWGNMICERLDKQP-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO CCOc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886274391 592194623 /nfs/dbraw/zinc/19/46/23/592194623.db2.gz RWGNMICERLDKQP-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO C[C@@H]([NH2+]Cc1cccs1)c1ncco1 ZINC000886275787 592195847 /nfs/dbraw/zinc/19/58/47/592195847.db2.gz MBIUFZKPUVMJSK-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000886279228 592197256 /nfs/dbraw/zinc/19/72/56/592197256.db2.gz SYERVOKEDBLVAD-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000886279228 592197258 /nfs/dbraw/zinc/19/72/58/592197258.db2.gz SYERVOKEDBLVAD-AWEZNQCLSA-N 1 2 245.301 2.804 20 0 BFADLO CCO[C@@H](C[N@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102422 592443166 /nfs/dbraw/zinc/44/31/66/592443166.db2.gz PJCKARLOOSERFF-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H](C[N@@H+](CC(F)F)C1CCC1)C1CC1 ZINC000887102422 592443170 /nfs/dbraw/zinc/44/31/70/592443170.db2.gz PJCKARLOOSERFF-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000887877403 592556245 /nfs/dbraw/zinc/55/62/45/592556245.db2.gz BZRFAWIENGNJPF-KCJUWKMLSA-N 1 2 233.315 2.571 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2COCC2(C)C)cc1 ZINC000313073155 634447313 /nfs/dbraw/zinc/44/73/13/634447313.db2.gz GPUYOPRDONMFIG-CYBMUJFWSA-N 1 2 234.343 2.590 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)s1 ZINC000335765451 634517085 /nfs/dbraw/zinc/51/70/85/634517085.db2.gz QAEVUQXVIMDVAW-LBPRGKRZSA-N 1 2 247.367 2.947 20 0 BFADLO c1n[nH]c2c1[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000336116249 634606283 /nfs/dbraw/zinc/60/62/83/634606283.db2.gz JGHOUTOKKHNCOG-ZDUSSCGKSA-N 1 2 227.311 2.577 20 0 BFADLO CCC(F)(F)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933373667 631337293 /nfs/dbraw/zinc/33/72/93/631337293.db2.gz RDDCRSWUCKYUMH-JTQLQIEISA-N 1 2 233.302 2.723 20 0 BFADLO Cc1cscc1C[NH2+][C@H](C)c1ncco1 ZINC000926303791 631577767 /nfs/dbraw/zinc/57/77/67/631577767.db2.gz NYHLINRXDIAACC-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CCc1cc(N)nc(SC[Si](C)(C)C)[nH+]1 ZINC000308861074 631701469 /nfs/dbraw/zinc/70/14/69/631701469.db2.gz VFUBFZNKTGEQGS-UHFFFAOYSA-N 1 2 241.436 2.591 20 0 BFADLO CCCC(=CC(=O)NCc1c[nH+]cn1C)CCC ZINC000291460963 632652255 /nfs/dbraw/zinc/65/22/55/632652255.db2.gz OCYZNBAMHBSHSZ-UHFFFAOYSA-N 1 2 249.358 2.563 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000310608082 632803331 /nfs/dbraw/zinc/80/33/31/632803331.db2.gz AWHPIAOTGBCYTG-IUODEOHRSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000924548512 632812097 /nfs/dbraw/zinc/81/20/97/632812097.db2.gz GVQDCRMQLWYCBF-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO CC[C@@H](O)C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926700470 632837854 /nfs/dbraw/zinc/83/78/54/632837854.db2.gz DIGQSQVYWABAHI-ZYHUDNBSSA-N 1 2 243.297 2.527 20 0 BFADLO Clc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)n1 ZINC000306646835 635971908 /nfs/dbraw/zinc/97/19/08/635971908.db2.gz AWBALIOJMHPQRK-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)n1 ZINC000306646835 635971912 /nfs/dbraw/zinc/97/19/12/635971912.db2.gz AWBALIOJMHPQRK-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO CCC1(C)C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000894980741 636011398 /nfs/dbraw/zinc/01/13/98/636011398.db2.gz ZEHXOYTZVPFQNL-UHFFFAOYSA-N 1 2 224.735 2.967 20 0 BFADLO Cc1ccoc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894891917 635999750 /nfs/dbraw/zinc/99/97/50/635999750.db2.gz GVAUOMBNFMAIIE-UHFFFAOYSA-N 1 2 219.206 2.582 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccns2)c(C)o1 ZINC000895453035 636145806 /nfs/dbraw/zinc/14/58/06/636145806.db2.gz BUWOCNYWCDMTGR-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccns2)c(C)o1 ZINC000895453035 636145809 /nfs/dbraw/zinc/14/58/09/636145809.db2.gz BUWOCNYWCDMTGR-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1cccc(C)c1 ZINC000162704212 634297233 /nfs/dbraw/zinc/29/72/33/634297233.db2.gz JEYQPKFVKKRSKD-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1cccc(C)c1 ZINC000162704212 634297240 /nfs/dbraw/zinc/29/72/40/634297240.db2.gz JEYQPKFVKKRSKD-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO CC(C)=CCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000194992282 634345322 /nfs/dbraw/zinc/34/53/22/634345322.db2.gz OQQBRHBIUSXGPU-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO COCC1C[NH+](Cc2cc(F)cc(Cl)c2)C1 ZINC000895970429 636185428 /nfs/dbraw/zinc/18/54/28/636185428.db2.gz YCNJGOPNRWGYEC-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO C[C@H](c1nc(CC2=CCCCC2)no1)[NH+](C)C ZINC000923820475 636568594 /nfs/dbraw/zinc/56/85/94/636568594.db2.gz HURVFYORBVJDAH-SNVBAGLBSA-N 1 2 235.331 2.735 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000235955436 636718991 /nfs/dbraw/zinc/71/89/91/636718991.db2.gz APXLTYNGCAXATO-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000925292923 636741343 /nfs/dbraw/zinc/74/13/43/636741343.db2.gz JKNMBRADYVQDBU-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000925292925 636742064 /nfs/dbraw/zinc/74/20/64/636742064.db2.gz JKNMBRADYVQDBU-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO CC(C)=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000042060043 637053809 /nfs/dbraw/zinc/05/38/09/637053809.db2.gz ZQKUXJUXDGHLJY-UHFFFAOYSA-N 1 2 229.283 2.776 20 0 BFADLO CCC[C@H](CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000873422198 637165016 /nfs/dbraw/zinc/16/50/16/637165016.db2.gz XGIBJSRELQSDJN-NSHDSACASA-N 1 2 236.315 2.533 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)c(C)n1 ZINC000904848844 637503748 /nfs/dbraw/zinc/50/37/48/637503748.db2.gz IFDAAUCPDZEQMI-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO CCc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1N ZINC000904848830 637504302 /nfs/dbraw/zinc/50/43/02/637504302.db2.gz HUZPJUZRSSDAJK-UHFFFAOYSA-N 1 2 241.338 2.959 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccnc(N(C)C)c2)n1C ZINC000904850706 637508385 /nfs/dbraw/zinc/50/83/85/637508385.db2.gz XJZYGCQTIXRMPQ-UHFFFAOYSA-N 1 2 244.342 2.672 20 0 BFADLO CCc1cc(-c2cc[nH+]c(N(C)C)c2)ccn1 ZINC000904851541 637509037 /nfs/dbraw/zinc/50/90/37/637509037.db2.gz TZKXOHZRHJDNRO-UHFFFAOYSA-N 1 2 227.311 2.772 20 0 BFADLO CC(C)(C)c1cn(C[C@H]2C[C@]23CCOC3)c[nH+]1 ZINC000905237419 637722561 /nfs/dbraw/zinc/72/25/61/637722561.db2.gz MUAUBJMNWFCMJW-RISCZKNCSA-N 1 2 234.343 2.607 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1cc(F)ccn1 ZINC000905421025 637804551 /nfs/dbraw/zinc/80/45/51/637804551.db2.gz LMWFXPBSYJCTRR-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000905761471 637916468 /nfs/dbraw/zinc/91/64/68/637916468.db2.gz GPZDTDAXSIXKST-LBPRGKRZSA-N 1 2 246.354 2.877 20 0 BFADLO c1cc(-c2c[nH+]c3c(c2)CCCN3)cs1 ZINC000906155694 638066633 /nfs/dbraw/zinc/06/66/33/638066633.db2.gz PIAGRHCYRYUBBY-UHFFFAOYSA-N 1 2 216.309 2.811 20 0 BFADLO CC(C)(C)n1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC000906190949 638098088 /nfs/dbraw/zinc/09/80/88/638098088.db2.gz ROQORKWWVMHOPU-UHFFFAOYSA-N 1 2 240.310 2.953 20 0 BFADLO Cc1[nH+]cc(-c2cc(C)ccc2F)n1C ZINC000906205064 638107100 /nfs/dbraw/zinc/10/71/00/638107100.db2.gz BJQMUAFTQSXNMG-UHFFFAOYSA-N 1 2 204.248 2.843 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)C2CCC2)c(C)[nH+]1 ZINC000906817241 638246683 /nfs/dbraw/zinc/24/66/83/638246683.db2.gz IZAJFCJVSIIWGG-UHFFFAOYSA-N 1 2 232.327 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)N2C[C@H](C)[C@H](C)C2)c(C)[nH+]1 ZINC000906849985 638255932 /nfs/dbraw/zinc/25/59/32/638255932.db2.gz KHLCTRUYUSVGBV-PHIMTYICSA-N 1 2 246.354 2.735 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@@H]2C(C)C)c(C)[nH+]1 ZINC000907227719 638326028 /nfs/dbraw/zinc/32/60/28/638326028.db2.gz RPCULSOLSMRVBY-CYBMUJFWSA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000907822129 638477008 /nfs/dbraw/zinc/47/70/08/638477008.db2.gz GYSFKZSCXXCJFX-DABQJJPHSA-N 1 2 244.338 2.535 20 0 BFADLO CC[C@@H]1C[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907950076 638520016 /nfs/dbraw/zinc/52/00/16/638520016.db2.gz AAKVUYLAJJXWAC-VXGBXAGGSA-N 1 2 232.327 2.535 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000908133505 638577861 /nfs/dbraw/zinc/57/78/61/638577861.db2.gz MQSRJXHDISARIW-QWHCGFSZSA-N 1 2 244.338 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@H]2C2CC2)c(C)[nH+]1 ZINC000908558105 639014392 /nfs/dbraw/zinc/01/43/92/639014392.db2.gz VQOJRNKTAKEBGH-ZDUSSCGKSA-N 1 2 244.338 2.631 20 0 BFADLO Cc1cc(C)[nH+]c(CN2Cc3cccnc3C2)c1 ZINC000930305811 639693860 /nfs/dbraw/zinc/69/38/60/639693860.db2.gz FMIUAHSAAJZPIC-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1nncs1 ZINC000930526110 639801942 /nfs/dbraw/zinc/80/19/42/639801942.db2.gz MXPWKGZACDMPDO-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1nncs1 ZINC000930526110 639801944 /nfs/dbraw/zinc/80/19/44/639801944.db2.gz MXPWKGZACDMPDO-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccc(C)cn2)o1 ZINC000930614777 639823791 /nfs/dbraw/zinc/82/37/91/639823791.db2.gz MEYYVIJQPFDNOI-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccc(C)cn2)o1 ZINC000930614777 639823792 /nfs/dbraw/zinc/82/37/92/639823792.db2.gz MEYYVIJQPFDNOI-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCC[C@@H](CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930979112 640011679 /nfs/dbraw/zinc/01/16/79/640011679.db2.gz JBBROQKHWOPQKB-LLVKDONJSA-N 1 2 245.326 2.871 20 0 BFADLO c1nnc([C@@H]2CCC[N@H+]2CCCC2CCCC2)[nH]1 ZINC000931135139 640071711 /nfs/dbraw/zinc/07/17/11/640071711.db2.gz SUJHJBKPBGUUDN-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nnc([C@@H]2CCC[N@@H+]2CCCC2CCCC2)[nH]1 ZINC000931135139 640071720 /nfs/dbraw/zinc/07/17/20/640071720.db2.gz SUJHJBKPBGUUDN-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO CC[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000912515644 640106068 /nfs/dbraw/zinc/10/60/68/640106068.db2.gz QOFKVURUZGOQFJ-ZDUSSCGKSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2=CCCC2)c(C)[nH+]1 ZINC000912690338 640167236 /nfs/dbraw/zinc/16/72/36/640167236.db2.gz LJZWSOKAZAGVBB-UHFFFAOYSA-N 1 2 244.338 2.847 20 0 BFADLO CC[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1OC ZINC000054764514 640404115 /nfs/dbraw/zinc/40/41/15/640404115.db2.gz KIKZLVMMCLQKNV-ZDUSSCGKSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1csc(C[NH2+][C@@H]2CCc3cccnc32)n1 ZINC000226815844 640793937 /nfs/dbraw/zinc/79/39/37/640793937.db2.gz IGWWHELCSCFXAY-LLVKDONJSA-N 1 2 245.351 2.624 20 0 BFADLO CCc1ncc(C[N@H+](Cc2ccoc2)C2CC2)o1 ZINC000934002732 640803798 /nfs/dbraw/zinc/80/37/98/640803798.db2.gz BCVLFMMATBQIFW-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO CCc1ncc(C[N@@H+](Cc2ccoc2)C2CC2)o1 ZINC000934002732 640803802 /nfs/dbraw/zinc/80/38/02/640803802.db2.gz BCVLFMMATBQIFW-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO COc1ccc[nH+]c1NCC(C)(C)SC ZINC000229122481 640923600 /nfs/dbraw/zinc/92/36/00/640923600.db2.gz RAVIMOSAWXFNQG-UHFFFAOYSA-N 1 2 226.345 2.644 20 0 BFADLO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000061360266 640957808 /nfs/dbraw/zinc/95/78/08/640957808.db2.gz GEJISFRRBBSFPN-NSHDSACASA-N 1 2 233.340 2.638 20 0 BFADLO C[C@@H]1CC[C@H](C)N1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934578573 641207097 /nfs/dbraw/zinc/20/70/97/641207097.db2.gz FRIRDSSSRQGOFQ-AOOOYVTPSA-N 1 2 243.310 2.576 20 0 BFADLO Cc1cc(C)[nH+]c(CN(CC(F)F)C2CC2)c1 ZINC000929597470 641373973 /nfs/dbraw/zinc/37/39/73/641373973.db2.gz JGNXUKSEPXDBAI-UHFFFAOYSA-N 1 2 240.297 2.928 20 0 BFADLO CCC1(c2noc([C@H](C)[NH+](C)C)n2)CCCC1 ZINC000351014828 641598158 /nfs/dbraw/zinc/59/81/58/641598158.db2.gz QOKBYHDAOGHMHH-JTQLQIEISA-N 1 2 237.347 2.914 20 0 BFADLO CC(C)[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000158732179 641648728 /nfs/dbraw/zinc/64/87/28/641648728.db2.gz QZSGKZITIBKYSS-UHFFFAOYSA-N 1 2 236.146 2.567 20 0 BFADLO CC(C)[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000158732179 641648731 /nfs/dbraw/zinc/64/87/31/641648731.db2.gz QZSGKZITIBKYSS-UHFFFAOYSA-N 1 2 236.146 2.567 20 0 BFADLO CCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152857008 641657228 /nfs/dbraw/zinc/65/72/28/641657228.db2.gz NGBVRZAAVZNFAX-UHFFFAOYSA-N 1 2 235.331 2.585 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)[C@H](C)C1 ZINC000077319132 641846536 /nfs/dbraw/zinc/84/65/36/641846536.db2.gz UQBWNVFATHXAFG-NXEZZACHSA-N 1 2 241.766 2.694 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)[C@H](C)C1 ZINC000077319132 641846539 /nfs/dbraw/zinc/84/65/39/641846539.db2.gz UQBWNVFATHXAFG-NXEZZACHSA-N 1 2 241.766 2.694 20 0 BFADLO CCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000154514229 642119348 /nfs/dbraw/zinc/11/93/48/642119348.db2.gz JWPAECSBRPSJTC-UHFFFAOYSA-N 1 2 226.707 2.581 20 0 BFADLO CC(C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930028206 642204648 /nfs/dbraw/zinc/20/46/48/642204648.db2.gz BTJTVSILVLZTKN-UHFFFAOYSA-N 1 2 245.326 2.681 20 0 BFADLO C[C@H](O)CCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151642 642304027 /nfs/dbraw/zinc/30/40/27/642304027.db2.gz UZPBKLYEVYGSRG-ZDUSSCGKSA-N 1 2 244.338 2.635 20 0 BFADLO C/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920004495 642421192 /nfs/dbraw/zinc/42/11/92/642421192.db2.gz NTLXLOSZEWGXNS-NSCUHMNNSA-N 1 2 245.257 2.526 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@H](C)c2ccccn2)o1 ZINC000930120153 642441710 /nfs/dbraw/zinc/44/17/10/642441710.db2.gz XQNBPAUUNJAQKC-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@H](C)c2ccccn2)o1 ZINC000930120153 642441720 /nfs/dbraw/zinc/44/17/20/642441720.db2.gz XQNBPAUUNJAQKC-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+](C)Cc1ccccc1 ZINC000929211113 642773101 /nfs/dbraw/zinc/77/31/01/642773101.db2.gz DUCQHPMIIBBOTP-LBPRGKRZSA-N 1 2 227.311 2.670 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+](C)Cc1ccccc1 ZINC000929211113 642773107 /nfs/dbraw/zinc/77/31/07/642773107.db2.gz DUCQHPMIIBBOTP-LBPRGKRZSA-N 1 2 227.311 2.670 20 0 BFADLO C[NH+](C)[C@@H](C(=O)OC1CCCC1)c1ccccc1 ZINC000181969464 642933429 /nfs/dbraw/zinc/93/34/29/642933429.db2.gz FELMGPSQPZWLFY-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ncc[nH]1 ZINC000285963833 643089349 /nfs/dbraw/zinc/08/93/49/643089349.db2.gz FPQUSNIDBQJYBC-NSHDSACASA-N 1 2 244.342 2.957 20 0 BFADLO CC(C)C[N@H+](Cn1ncsc1=S)C1CC1 ZINC000075582053 643183955 /nfs/dbraw/zinc/18/39/55/643183955.db2.gz WYCPVLFTIHMYTE-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO CC(C)C[N@@H+](Cn1ncsc1=S)C1CC1 ZINC000075582053 643183961 /nfs/dbraw/zinc/18/39/61/643183961.db2.gz WYCPVLFTIHMYTE-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO CNc1cc(N[C@H](C)CCc2ccco2)[nH+]cn1 ZINC000131229479 643403177 /nfs/dbraw/zinc/40/31/77/643403177.db2.gz AIYJCXRXGVGARW-SNVBAGLBSA-N 1 2 246.314 2.545 20 0 BFADLO CCCCCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922352395 643980226 /nfs/dbraw/zinc/98/02/26/643980226.db2.gz DRNZMDVJAMBNMA-UHFFFAOYSA-N 1 2 236.315 2.677 20 0 BFADLO Nc1[nH+]cccc1COC(=O)C=C1CCCCC1 ZINC000922378963 643981475 /nfs/dbraw/zinc/98/14/75/643981475.db2.gz WSEOEKQOJQOJHW-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO CCC(C)(C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922502327 644006541 /nfs/dbraw/zinc/00/65/41/644006541.db2.gz WSJYYQWUFSSGBJ-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CCCC1(C(=O)OCc2ccc(N)[nH+]c2)CCC1 ZINC000922525926 644014668 /nfs/dbraw/zinc/01/46/68/644014668.db2.gz GKGJTSDPJMTCTC-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO Cc1occc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922577724 644031202 /nfs/dbraw/zinc/03/12/02/644031202.db2.gz UTTVOFMFFZJLBD-CYBMUJFWSA-N 1 2 243.310 2.619 20 0 BFADLO C[C@H]1CCC[C@@H]1CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922614088 644041932 /nfs/dbraw/zinc/04/19/32/644041932.db2.gz HINXXFVARZHLLB-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO CCCC[C@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922707369 644073451 /nfs/dbraw/zinc/07/34/51/644073451.db2.gz SPTBLKMSHPIPTO-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922772616 644092176 /nfs/dbraw/zinc/09/21/76/644092176.db2.gz FIMHSHCJFJZAHH-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO C/C=C(/C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000081694713 644340985 /nfs/dbraw/zinc/34/09/85/644340985.db2.gz YNJIBNCGFPLKRM-JYOAFUTRSA-N 1 2 241.294 2.777 20 0 BFADLO CCCCCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000740878396 644563697 /nfs/dbraw/zinc/56/36/97/644563697.db2.gz CXVWBIBIYDYSDQ-SNVBAGLBSA-N 1 2 239.281 2.830 20 0 BFADLO CCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000740878396 644563700 /nfs/dbraw/zinc/56/37/00/644563700.db2.gz CXVWBIBIYDYSDQ-SNVBAGLBSA-N 1 2 239.281 2.830 20 0 BFADLO C[N@H+](C/C(Cl)=C/Cl)[C@H]1CCSC1 ZINC000089938699 644572580 /nfs/dbraw/zinc/57/25/80/644572580.db2.gz PRRFBMDGCUGQLN-NZGHECTNSA-N 1 2 226.172 2.743 20 0 BFADLO C[N@@H+](C/C(Cl)=C/Cl)[C@H]1CCSC1 ZINC000089938699 644572585 /nfs/dbraw/zinc/57/25/85/644572585.db2.gz PRRFBMDGCUGQLN-NZGHECTNSA-N 1 2 226.172 2.743 20 0 BFADLO CC(C)Oc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090165248 644583342 /nfs/dbraw/zinc/58/33/42/644583342.db2.gz RLVWYFLSWWTIOL-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cnccn2)c(C)[nH+]1 ZINC000094664056 644723599 /nfs/dbraw/zinc/72/35/99/644723599.db2.gz UHCTUBYHZNJWQU-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000780016390 644723700 /nfs/dbraw/zinc/72/37/00/644723700.db2.gz KETULLAHLQEGCW-XFXZXTDPSA-N 1 2 232.327 2.805 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000783278125 644752953 /nfs/dbraw/zinc/75/29/53/644752953.db2.gz UIEZQZYDZLJBCK-AAEUAGOBSA-N 1 2 231.343 2.892 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](C/C=C/Cl)CCO2 ZINC000796434483 644811669 /nfs/dbraw/zinc/81/16/69/644811669.db2.gz MANFORCQEKFADJ-GORDUTHDSA-N 1 2 237.730 2.942 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](C/C=C/Cl)CCO2 ZINC000796434483 644811673 /nfs/dbraw/zinc/81/16/73/644811673.db2.gz MANFORCQEKFADJ-GORDUTHDSA-N 1 2 237.730 2.942 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2c(C)noc2C)o1 ZINC000926538211 645263756 /nfs/dbraw/zinc/26/37/56/645263756.db2.gz RLDUCCREEGUIOH-MRVPVSSYSA-N 1 2 249.314 2.693 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)C2(Cl)CC2)c1 ZINC000926664172 645343967 /nfs/dbraw/zinc/34/39/67/645343967.db2.gz YSVOWNGNGNFYQH-SECBINFHSA-N 1 2 240.734 2.800 20 0 BFADLO C[C@H](CC(=O)O[C@@H]1CCC12CCC2)n1cc[nH+]c1 ZINC000845608165 645371668 /nfs/dbraw/zinc/37/16/68/645371668.db2.gz KMFMHOFDOOMXKQ-VXGBXAGGSA-N 1 2 248.326 2.710 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)c2ncco2)c1C ZINC000926733931 645391863 /nfs/dbraw/zinc/39/18/63/645391863.db2.gz OXZUJXSEETUWIY-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO Cc1cc(NC2[C@H](C)COC[C@H]2C)c[nH+]c1C ZINC000926856355 645457727 /nfs/dbraw/zinc/45/77/27/645457727.db2.gz SSPWNAANPIJDHF-GHMZBOCLSA-N 1 2 234.343 2.781 20 0 BFADLO C[C@H](N[C@@H](C)C(F)F)c1cn2c([nH+]1)CCCC2 ZINC000926867282 645464073 /nfs/dbraw/zinc/46/40/73/645464073.db2.gz UYEUTBDBAPJOLP-IUCAKERBSA-N 1 2 243.301 2.524 20 0 BFADLO Cc1nc(N[C@@H]2C=CCC2)c2c([nH+]1)CCCC2 ZINC000853799526 645498344 /nfs/dbraw/zinc/49/83/44/645498344.db2.gz INFANMIWLLPXMS-LLVKDONJSA-N 1 2 229.327 2.794 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccsc2)o1 ZINC000929180205 645987903 /nfs/dbraw/zinc/98/79/03/645987903.db2.gz NKJZYITWGKSASP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccsc2)o1 ZINC000929180205 645987911 /nfs/dbraw/zinc/98/79/11/645987911.db2.gz NKJZYITWGKSASP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CC(C)c1nsc(C[NH+]2CCCCC2)n1 ZINC000929237968 646028802 /nfs/dbraw/zinc/02/88/02/646028802.db2.gz MIFPNGDALWRAIP-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000924543142 646064689 /nfs/dbraw/zinc/06/46/89/646064689.db2.gz PYQSNKCCFSCDOX-NXEZZACHSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ncco1 ZINC000924967786 646147690 /nfs/dbraw/zinc/14/76/90/646147690.db2.gz OFLLWDOHMGDANP-BXKDBHETSA-N 1 2 244.294 2.718 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2c(C)noc2C)on1 ZINC000925128682 646189760 /nfs/dbraw/zinc/18/97/60/646189760.db2.gz DCSGEHOPHAYTTJ-MRVPVSSYSA-N 1 2 249.314 2.693 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1nonc1C)c1ccncc1 ZINC000925131534 646193689 /nfs/dbraw/zinc/19/36/89/646193689.db2.gz TZYNHLVCBKIMNH-JOYOIKCWSA-N 1 2 246.314 2.575 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)Cc1nncs1 ZINC000930010168 646391937 /nfs/dbraw/zinc/39/19/37/646391937.db2.gz ICKIIKXVBMGUGN-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)Cc1nncs1 ZINC000930010168 646391941 /nfs/dbraw/zinc/39/19/41/646391941.db2.gz ICKIIKXVBMGUGN-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO CCN(CC(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930031306 646402878 /nfs/dbraw/zinc/40/28/78/646402878.db2.gz IXZCVEMEZWHJKL-UHFFFAOYSA-N 1 2 245.326 2.681 20 0 BFADLO FC(F)C[N@H+](CCOC1CC1)CC1CCC1 ZINC000930131046 646451524 /nfs/dbraw/zinc/45/15/24/646451524.db2.gz CQDSRKPZVMJKGV-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CCOC1CC1)CC1CCC1 ZINC000930131046 646451529 /nfs/dbraw/zinc/45/15/29/646451529.db2.gz CQDSRKPZVMJKGV-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1COC[C@@H](C)C1[NH2+]c1ccc(N(C)C)cc1 ZINC000926025647 646561549 /nfs/dbraw/zinc/56/15/49/646561549.db2.gz HEHZTBJJMYZRNK-VXGBXAGGSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@@H]1COC[C@@H](C)C1Nc1ccc([NH+](C)C)cc1 ZINC000926025647 646561552 /nfs/dbraw/zinc/56/15/52/646561552.db2.gz HEHZTBJJMYZRNK-VXGBXAGGSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@H]1COC[C@H](C)C1[NH2+]c1ccc(N(C)C)cc1 ZINC000926025646 646561864 /nfs/dbraw/zinc/56/18/64/646561864.db2.gz HEHZTBJJMYZRNK-RYUDHWBXSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@H]1COC[C@H](C)C1Nc1ccc([NH+](C)C)cc1 ZINC000926025646 646561867 /nfs/dbraw/zinc/56/18/67/646561867.db2.gz HEHZTBJJMYZRNK-RYUDHWBXSA-N 1 2 248.370 2.836 20 0 BFADLO CC[C@H]1COC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000926052783 646565730 /nfs/dbraw/zinc/56/57/30/646565730.db2.gz OGEIQWUVZRAXSS-JSGCOSHPSA-N 1 2 248.370 2.898 20 0 BFADLO CC(C)c1ncc(C[NH2+]Cc2cocn2)s1 ZINC000381235670 710611064 /nfs/dbraw/zinc/61/10/64/710611064.db2.gz LVRDHKLAZNNXKJ-UHFFFAOYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cncs2)no1 ZINC000381489702 710645077 /nfs/dbraw/zinc/64/50/77/710645077.db2.gz WVVPQBSSMCGZFR-DTWKUNHWSA-N 1 2 237.328 2.851 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@H]2C)c(OC)c1 ZINC000381613515 710660661 /nfs/dbraw/zinc/66/06/61/710660661.db2.gz UBUMYTSXKGWEBG-ZJUUUORDSA-N 1 2 221.300 2.772 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@@H]2C)c(OC)c1 ZINC000381613512 710661095 /nfs/dbraw/zinc/66/10/95/710661095.db2.gz UBUMYTSXKGWEBG-VHSXEESVSA-N 1 2 221.300 2.772 20 0 BFADLO Cc1cc(C)c(CNc2cncc(Cl)n2)c[nH+]1 ZINC000397007363 710909329 /nfs/dbraw/zinc/90/93/29/710909329.db2.gz LRASELYBFOARFP-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cnsn2)cc1 ZINC000399865907 710911690 /nfs/dbraw/zinc/91/16/90/710911690.db2.gz ZNAXSBXOBRVLFS-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c(C)o1 ZINC000386106474 711021815 /nfs/dbraw/zinc/02/18/15/711021815.db2.gz SLJJJHUGRZQGJK-GXFFZTMASA-N 1 2 245.326 2.889 20 0 BFADLO CC(C)([NH2+]Cc1cnsn1)c1ccccc1 ZINC000399853825 711436454 /nfs/dbraw/zinc/43/64/54/711436454.db2.gz SWJYGKYDHAAFCC-UHFFFAOYSA-N 1 2 233.340 2.563 20 0 BFADLO Cc1nocc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934004781 711561369 /nfs/dbraw/zinc/56/13/69/711561369.db2.gz URFJDPXZMODQPP-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1nocc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934004781 711561372 /nfs/dbraw/zinc/56/13/72/711561372.db2.gz URFJDPXZMODQPP-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO C/C=C/C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724425463 711579266 /nfs/dbraw/zinc/57/92/66/711579266.db2.gz VNEHRRBBMXJMDR-AATRIKPKSA-N 1 2 208.305 2.638 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2cccc(C)n2)o1 ZINC000892595368 711678367 /nfs/dbraw/zinc/67/83/67/711678367.db2.gz HOLXLMGXMXSRPZ-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cc1cc(N[C@@H](C)c2cc[nH]c(=O)c2)c[nH+]c1C ZINC000926856384 711689329 /nfs/dbraw/zinc/68/93/29/711689329.db2.gz TZEXNSKMWBILDH-NSHDSACASA-N 1 2 243.310 2.972 20 0 BFADLO COCC(C)(C)[N@H+](C)C/C(Cl)=C/Cl ZINC000379352800 711799887 /nfs/dbraw/zinc/79/98/87/711799887.db2.gz CSPSXWBIQXHYMW-YVMONPNESA-N 1 2 226.147 2.662 20 0 BFADLO COCC(C)(C)[N@@H+](C)C/C(Cl)=C/Cl ZINC000379352800 711799888 /nfs/dbraw/zinc/79/98/88/711799888.db2.gz CSPSXWBIQXHYMW-YVMONPNESA-N 1 2 226.147 2.662 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000705259173 712127088 /nfs/dbraw/zinc/12/70/88/712127088.db2.gz PXPNMCWTODGXJU-CHWSQXEVSA-N 1 2 246.354 2.591 20 0 BFADLO Cc1conc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000708334575 712188635 /nfs/dbraw/zinc/18/86/35/712188635.db2.gz JBZCTKJTHBETDE-ZDUSSCGKSA-N 1 2 246.285 2.899 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccccc1F ZINC000379176430 712371046 /nfs/dbraw/zinc/37/10/46/712371046.db2.gz QSAFVAVACZWTHX-GXFFZTMASA-N 1 2 245.301 2.818 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cn2ncsc2=S)C1 ZINC000758399853 712408586 /nfs/dbraw/zinc/40/85/86/712408586.db2.gz ZXCMMDBLRMTLRO-SNVBAGLBSA-N 1 2 243.401 2.754 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cn2ncsc2=S)C1 ZINC000758399853 712408587 /nfs/dbraw/zinc/40/85/87/712408587.db2.gz ZXCMMDBLRMTLRO-SNVBAGLBSA-N 1 2 243.401 2.754 20 0 BFADLO C=C/C=C/CCSc1nc(N)cc(C)[nH+]1 ZINC000713765862 712471910 /nfs/dbraw/zinc/47/19/10/712471910.db2.gz WFZJHIWQELTVAU-SNAWJCMRSA-N 1 2 221.329 2.592 20 0 BFADLO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1cccc[nH+]1 ZINC000716594099 712564495 /nfs/dbraw/zinc/56/44/95/712564495.db2.gz QBWAPRFTTOJDCN-WYUUTHIRSA-N 1 2 202.301 2.786 20 0 BFADLO c1ccc(NC[C@@H]2CCC3(CCC3)CO2)[nH+]c1 ZINC000716542801 712567312 /nfs/dbraw/zinc/56/73/12/712567312.db2.gz SGLQUSZIZCZMIH-LBPRGKRZSA-N 1 2 232.327 2.843 20 0 BFADLO C[N@H+](CCCF)Cc1csc(Cl)n1 ZINC000716640731 712568682 /nfs/dbraw/zinc/56/86/82/712568682.db2.gz VOJHFFGCIXWZNS-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO C[N@@H+](CCCF)Cc1csc(Cl)n1 ZINC000716640731 712568683 /nfs/dbraw/zinc/56/86/83/712568683.db2.gz VOJHFFGCIXWZNS-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO CC(C)[N@H+](C/C(Cl)=C\Cl)[C@@H]1CCOC1 ZINC000812861401 712587272 /nfs/dbraw/zinc/58/72/72/712587272.db2.gz UCFCNEOSAWRASL-NAZIUFLLSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)[N@@H+](C/C(Cl)=C\Cl)[C@@H]1CCOC1 ZINC000812861401 712587273 /nfs/dbraw/zinc/58/72/73/712587273.db2.gz UCFCNEOSAWRASL-NAZIUFLLSA-N 1 2 238.158 2.805 20 0 BFADLO CCc1nc(C)c(C[NH2+]Cc2cc(C)co2)o1 ZINC000718130941 712746678 /nfs/dbraw/zinc/74/66/78/712746678.db2.gz JGYOXNDEXHTMJQ-UHFFFAOYSA-N 1 2 234.299 2.737 20 0 BFADLO C[C@@H]([NH2+]Cc1cn[nH]c1)c1c(F)cccc1F ZINC000038005687 712798642 /nfs/dbraw/zinc/79/86/42/712798642.db2.gz DEOULWSRCOJBRZ-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)s2)n1 ZINC000038034557 712800322 /nfs/dbraw/zinc/80/03/22/712800322.db2.gz QOMRWTCSVJNARC-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2ncccc12)C(F)F ZINC000720466897 712845228 /nfs/dbraw/zinc/84/52/28/712845228.db2.gz KQNOBYGHLHOEDM-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO CCC[N@H+](C/C=C\Cl)[C@H](CC)C(=O)OCC ZINC000588588058 959471948 /nfs/dbraw/zinc/47/19/48/959471948.db2.gz LAHDMQSLUKGXOT-SKVAFPRGSA-N 1 2 247.766 2.793 20 0 BFADLO CCC[N@@H+](C/C=C\Cl)[C@H](CC)C(=O)OCC ZINC000588588058 959471954 /nfs/dbraw/zinc/47/19/54/959471954.db2.gz LAHDMQSLUKGXOT-SKVAFPRGSA-N 1 2 247.766 2.793 20 0 BFADLO COc1cc(F)c(C[N@@H+]2CC[C@H]2C)c(F)c1 ZINC001140824535 960614825 /nfs/dbraw/zinc/61/48/25/960614825.db2.gz HLOUEYTZVXNVAG-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(C[N@H+]2CC[C@H]2C)c(F)c1 ZINC001140824535 960614836 /nfs/dbraw/zinc/61/48/36/960614836.db2.gz HLOUEYTZVXNVAG-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@H](OCc2c[nH+]cn2C)C1 ZINC001222594292 960722596 /nfs/dbraw/zinc/72/25/96/960722596.db2.gz DJMQLQBOEXIZRZ-NQBHXWOUSA-N 1 2 222.332 2.761 20 0 BFADLO CC[C@H](C)Nc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001167998648 963207912 /nfs/dbraw/zinc/20/79/12/963207912.db2.gz JUNKFLOTCJGAQP-JTQLQIEISA-N 1 2 236.315 2.512 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001137596086 964673572 /nfs/dbraw/zinc/67/35/72/964673572.db2.gz BSHBVOUXNAXWOR-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001137596086 964673582 /nfs/dbraw/zinc/67/35/82/964673582.db2.gz BSHBVOUXNAXWOR-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO FC(F)(F)CCNc1ccn2cc[nH+]c2c1 ZINC001161824102 964774003 /nfs/dbraw/zinc/77/40/03/964774003.db2.gz GRZUMQXCWNXQGD-UHFFFAOYSA-N 1 2 229.205 2.699 20 0 BFADLO Cc1nc(N(C)C2CC(F)(F)C2)c(C)c(C)[nH+]1 ZINC001163767474 965572179 /nfs/dbraw/zinc/57/21/79/965572179.db2.gz JCKUCCBCWXKQRA-UHFFFAOYSA-N 1 2 241.285 2.636 20 0 BFADLO C[C@@H]1CCN(c2ccc(Cl)c(N)[nH+]2)C[C@H]1F ZINC001164179225 965779184 /nfs/dbraw/zinc/77/91/84/965779184.db2.gz QTKIHBIDHHOJCP-VXNVDRBHSA-N 1 2 243.713 2.502 20 0 BFADLO CC(=CC=C[NH3+])c1ccc(F)c2n[nH]cc21 ZINC001205343115 967553322 /nfs/dbraw/zinc/55/33/22/967553322.db2.gz XPSSJVXUEGMEFG-YALUOGEHSA-N 1 2 217.247 2.578 20 0 BFADLO FC(F)Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001250391456 967807742 /nfs/dbraw/zinc/80/77/42/967807742.db2.gz VBMZYBHMCTYYOO-UHFFFAOYSA-N 1 2 226.270 2.880 20 0 BFADLO COc1cc2[nH+]c(CCSC)[nH]c2cc1F ZINC001250426614 967842695 /nfs/dbraw/zinc/84/26/95/967842695.db2.gz NOYNYPPEQVMLOS-UHFFFAOYSA-N 1 2 240.303 2.616 20 0 BFADLO COc1cc2[nH]c(CCSC)[nH+]c2cc1F ZINC001250426614 967842699 /nfs/dbraw/zinc/84/26/99/967842699.db2.gz NOYNYPPEQVMLOS-UHFFFAOYSA-N 1 2 240.303 2.616 20 0 BFADLO Cc1ncsc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001206863306 968507601 /nfs/dbraw/zinc/50/76/01/968507601.db2.gz NKPQMNUDUFKSJU-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001206863306 968507609 /nfs/dbraw/zinc/50/76/09/968507609.db2.gz NKPQMNUDUFKSJU-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001208183019 969113536 /nfs/dbraw/zinc/11/35/36/969113536.db2.gz WMXRUDUNOCYBDA-RWMBFGLXSA-N 1 2 239.334 2.592 20 0 BFADLO CC1=C[C@H](C)[C@H](C[N@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001208183019 969113542 /nfs/dbraw/zinc/11/35/42/969113542.db2.gz WMXRUDUNOCYBDA-RWMBFGLXSA-N 1 2 239.334 2.592 20 0 BFADLO O=C1CCC[N@H+](C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218522 969541640 /nfs/dbraw/zinc/54/16/40/969541640.db2.gz KHXKTRXNTRNMCN-JTQLQIEISA-N 1 2 249.276 2.567 20 0 BFADLO O=C1CCC[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218522 969541647 /nfs/dbraw/zinc/54/16/47/969541647.db2.gz KHXKTRXNTRNMCN-JTQLQIEISA-N 1 2 249.276 2.567 20 0 BFADLO CC[C@@H](C)C[C@H](CC)OCC[NH+]1CCOCC1 ZINC001210207902 969817849 /nfs/dbraw/zinc/81/78/49/969817849.db2.gz PFHCMGPXONTTOL-KGLIPLIRSA-N 1 2 243.391 2.550 20 0 BFADLO Cc1cc(C)c(Nc2ccnc(F)c2)c[nH+]1 ZINC001213505407 970333085 /nfs/dbraw/zinc/33/30/85/970333085.db2.gz DEKSMVIAJDILGS-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO CCCCOC1C[NH+]([C@@H](C)CC(F)(F)F)C1 ZINC001255656960 970437373 /nfs/dbraw/zinc/43/73/73/970437373.db2.gz DHEPEBZKCRCYNT-VIFPVBQESA-N 1 2 239.281 2.828 20 0 BFADLO CCSC[C@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001173301563 975198397 /nfs/dbraw/zinc/19/83/97/975198397.db2.gz WOCQJQPYRFYONL-VIFPVBQESA-N 1 2 217.353 2.562 20 0 BFADLO Cc1cc[nH+]c(C)c1OC1CC(F)(F)C1 ZINC001227263821 975337906 /nfs/dbraw/zinc/33/79/06/975337906.db2.gz ITOWAJPRUNXPLR-UHFFFAOYSA-N 1 2 213.227 2.875 20 0 BFADLO Cc1cccc(OC2C[NH+](C(C)C)C2)c1F ZINC001228219510 976003857 /nfs/dbraw/zinc/00/38/57/976003857.db2.gz RZPDEHLWHMGORW-UHFFFAOYSA-N 1 2 223.291 2.606 20 0 BFADLO Cc1scnc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC001232204703 977930277 /nfs/dbraw/zinc/93/02/77/977930277.db2.gz VTVDNYAGRHHQAH-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1scnc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001232204703 977930283 /nfs/dbraw/zinc/93/02/83/977930283.db2.gz VTVDNYAGRHHQAH-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cccc(CF)n2)C1 ZINC001232534457 978163412 /nfs/dbraw/zinc/16/34/12/978163412.db2.gz DJVADMQECTXWRN-CYBMUJFWSA-N 1 2 240.297 2.875 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(CF)n2)C1 ZINC001232534457 978163424 /nfs/dbraw/zinc/16/34/24/978163424.db2.gz DJVADMQECTXWRN-CYBMUJFWSA-N 1 2 240.297 2.875 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932316 978339683 /nfs/dbraw/zinc/33/96/83/978339683.db2.gz XULOUKGTJHHYRL-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO COc1cc(F)c(C[N@@H+]2CC[C@@H]2C)cc1F ZINC001233340852 978566516 /nfs/dbraw/zinc/56/65/16/978566516.db2.gz SMOZJGSQLXXFIJ-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(C[N@H+]2CC[C@@H]2C)cc1F ZINC001233340852 978566520 /nfs/dbraw/zinc/56/65/20/978566520.db2.gz SMOZJGSQLXXFIJ-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO F[C@H]1C[N@H+](Cc2ccoc2)CCCC1(F)F ZINC001204242454 978693589 /nfs/dbraw/zinc/69/35/89/978693589.db2.gz UZRIVNIZQWKHTH-JTQLQIEISA-N 1 2 233.233 2.849 20 0 BFADLO F[C@H]1C[N@@H+](Cc2ccoc2)CCCC1(F)F ZINC001204242454 978693594 /nfs/dbraw/zinc/69/35/94/978693594.db2.gz UZRIVNIZQWKHTH-JTQLQIEISA-N 1 2 233.233 2.849 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235414617 979040623 /nfs/dbraw/zinc/04/06/23/979040623.db2.gz QULUOVUHVQGJCB-JTQLQIEISA-N 1 2 239.750 2.752 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235414617 979040628 /nfs/dbraw/zinc/04/06/28/979040628.db2.gz QULUOVUHVQGJCB-JTQLQIEISA-N 1 2 239.750 2.752 20 0 BFADLO Cc1ccc(Nc2cccnc2F)c(C)[nH+]1 ZINC001203368141 979321243 /nfs/dbraw/zinc/32/12/43/979321243.db2.gz VEWXWENDIPXSOA-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(Cl)cc(C[NH+]2CC(C)(C)C2)n1 ZINC001236635717 979684831 /nfs/dbraw/zinc/68/48/31/979684831.db2.gz MMLUSQWHLBVGAM-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO Cc1cc(Cl)cc(C[NH+]2CCSCC2)n1 ZINC001236641157 979685258 /nfs/dbraw/zinc/68/52/58/979685258.db2.gz UYVCZLNCJAYMKB-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO C[N@@H+](Cc1cscn1)CC1OC=CC1=S ZINC001237183392 979831675 /nfs/dbraw/zinc/83/16/75/979831675.db2.gz IKYAPZYZUPBWLZ-UHFFFAOYSA-N 1 2 240.353 2.657 20 0 BFADLO C[N@H+](Cc1cscn1)CC1OC=CC1=S ZINC001237183392 979831678 /nfs/dbraw/zinc/83/16/78/979831678.db2.gz IKYAPZYZUPBWLZ-UHFFFAOYSA-N 1 2 240.353 2.657 20 0 BFADLO C[N@@H+](Cc1nccs1)CC1OC=CC1=S ZINC001237183822 979834427 /nfs/dbraw/zinc/83/44/27/979834427.db2.gz LBYHMNQQDVFHEX-UHFFFAOYSA-N 1 2 240.353 2.657 20 0 BFADLO C[N@H+](Cc1nccs1)CC1OC=CC1=S ZINC001237183822 979834430 /nfs/dbraw/zinc/83/44/30/979834430.db2.gz LBYHMNQQDVFHEX-UHFFFAOYSA-N 1 2 240.353 2.657 20 0 BFADLO Fc1ccnc(Cl)c1C[NH+]1CCCCC1 ZINC001238226358 980228208 /nfs/dbraw/zinc/22/82/08/980228208.db2.gz UMBWJHJMRCDIMG-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CC(C)Oc1c(C[NH+]2CCC2)ccc(F)c1F ZINC001238745434 980317958 /nfs/dbraw/zinc/31/79/58/980317958.db2.gz YAJQLJCZZVUXBE-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO c1nc2c(s1)C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201430135 983228785 /nfs/dbraw/zinc/22/87/85/983228785.db2.gz ZFSZBQGLRGBTRO-SNVBAGLBSA-N 1 2 220.341 2.815 20 0 BFADLO CCCC[C@@H](O)CNc1ccc([NH+](C)C)cc1 ZINC001252078606 983323142 /nfs/dbraw/zinc/32/31/42/983323142.db2.gz VPABKCOHBCTZHH-CQSZACIVSA-N 1 2 236.359 2.716 20 0 BFADLO CC(C)COCC[C@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001172468398 974764487 /nfs/dbraw/zinc/76/44/87/974764487.db2.gz OWLYKJDXBHNOMW-LBPRGKRZSA-N 1 2 243.366 2.872 20 0 BFADLO CC(C)COCC[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172469798 974767444 /nfs/dbraw/zinc/76/74/44/974767444.db2.gz UOMHVLUKMPGSDV-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172469798 974767448 /nfs/dbraw/zinc/76/74/48/974767448.db2.gz UOMHVLUKMPGSDV-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144541151 972862696 /nfs/dbraw/zinc/86/26/96/972862696.db2.gz CKOFICDNJZRHPU-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO CC(=O)Nc1ccc(C)cc1-c1ccc[nH+]c1N ZINC001243476359 970771047 /nfs/dbraw/zinc/77/10/47/970771047.db2.gz QGFYGYPQJOYFMU-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2ncco2)cc1 ZINC001243475541 970771129 /nfs/dbraw/zinc/77/11/29/970771129.db2.gz KTTSQYHQUWZBNQ-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CC(C)(C)c1cn(Cc2nccs2)c[nH+]1 ZINC001329344546 973693672 /nfs/dbraw/zinc/69/36/72/973693672.db2.gz IVIMUAVBGICBCP-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO Cc1cc(-c2ccc(Cl)c(O)c2)c[nH+]c1N ZINC001243581374 970820566 /nfs/dbraw/zinc/82/05/66/970820566.db2.gz ABHUHGDIHDBICT-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CC(C)Cc1nnc([C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256457589 970848671 /nfs/dbraw/zinc/84/86/71/970848671.db2.gz RBAHRRKGFAUSRQ-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)Cc1nnc([C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256457589 970848673 /nfs/dbraw/zinc/84/86/73/970848673.db2.gz RBAHRRKGFAUSRQ-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CCc1cc(Nc2[nH+]cccc2N)ccc1N ZINC001216036336 970910717 /nfs/dbraw/zinc/91/07/17/970910717.db2.gz JYRVVVOXHLGSGI-UHFFFAOYSA-N 1 2 228.299 2.552 20 0 BFADLO Cc1cc(N(C)c2[nH+]cccc2N)cc(O)c1F ZINC001216077202 970923890 /nfs/dbraw/zinc/92/38/90/970923890.db2.gz BGHNOPVZUXPDHI-UHFFFAOYSA-N 1 2 247.273 2.585 20 0 BFADLO Nc1[nH+]c(NC(C2CC2)C2CC2)ccc1Cl ZINC001157921659 970934742 /nfs/dbraw/zinc/93/47/42/970934742.db2.gz UIWQDSIUAYYBSW-UHFFFAOYSA-N 1 2 237.734 2.918 20 0 BFADLO COc1cc(CO)cc(Nc2cc(C)cc[nH+]2)c1 ZINC001216197397 970980631 /nfs/dbraw/zinc/98/06/31/970980631.db2.gz XCWJDTBNSDWABD-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO Cc1csc2c1ncnc2C1=C[NH2+]CCC1 ZINC001243947845 971035532 /nfs/dbraw/zinc/03/55/32/971035532.db2.gz PVJHVZIOPHOWSP-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO CCOc1cc(Nc2cccc(C)[nH+]2)ccn1 ZINC001216621575 971142170 /nfs/dbraw/zinc/14/21/70/971142170.db2.gz NJFJKGRJIUVHCZ-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO Cc1noc2ccc(Nc3[nH+]cccc3N)cc12 ZINC001216637706 971145554 /nfs/dbraw/zinc/14/55/54/971145554.db2.gz NKQWFFONHUFDOD-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001131308865 971158559 /nfs/dbraw/zinc/15/85/59/971158559.db2.gz BXDURMGVDOARHH-CSKARUKUSA-N 1 2 229.283 2.629 20 0 BFADLO FC[C@H]1CC[N@@H+](C2CCCC2)CC1(F)F ZINC001257350460 971261586 /nfs/dbraw/zinc/26/15/86/971261586.db2.gz KSIUHQGIRUERFM-SECBINFHSA-N 1 2 221.266 2.856 20 0 BFADLO FC[C@H]1CC[N@H+](C2CCCC2)CC1(F)F ZINC001257350460 971261589 /nfs/dbraw/zinc/26/15/89/971261589.db2.gz KSIUHQGIRUERFM-SECBINFHSA-N 1 2 221.266 2.856 20 0 BFADLO CCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001257425182 971324895 /nfs/dbraw/zinc/32/48/95/971324895.db2.gz LUNPJIQYISRAGE-MNOVXSKESA-N 1 2 215.312 2.568 20 0 BFADLO CCCC[C@@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001257425182 971324896 /nfs/dbraw/zinc/32/48/96/971324896.db2.gz LUNPJIQYISRAGE-MNOVXSKESA-N 1 2 215.312 2.568 20 0 BFADLO CCCC[C@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001257425183 971322907 /nfs/dbraw/zinc/32/29/07/971322907.db2.gz LUNPJIQYISRAGE-QWRGUYRKSA-N 1 2 215.312 2.568 20 0 BFADLO CCCC[C@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001257425183 971322914 /nfs/dbraw/zinc/32/29/14/971322914.db2.gz LUNPJIQYISRAGE-QWRGUYRKSA-N 1 2 215.312 2.568 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[NH2+]CC(=O)OCC ZINC001257469576 971392656 /nfs/dbraw/zinc/39/26/56/971392656.db2.gz XCPJIUVBJDVAOL-NEPJUHHUSA-N 1 2 229.364 2.744 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001257480419 971403298 /nfs/dbraw/zinc/40/32/98/971403298.db2.gz DSPNHHNOUOJWNJ-RYUDHWBXSA-N 1 2 211.349 2.866 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[N@H+]1CCC(=O)C1 ZINC001257480419 971403304 /nfs/dbraw/zinc/40/33/04/971403304.db2.gz DSPNHHNOUOJWNJ-RYUDHWBXSA-N 1 2 211.349 2.866 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257510643 971429823 /nfs/dbraw/zinc/42/98/23/971429823.db2.gz FCTCLASAWZILNM-SRVKXCTJSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257510643 971429824 /nfs/dbraw/zinc/42/98/24/971429824.db2.gz FCTCLASAWZILNM-SRVKXCTJSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001257512225 971432467 /nfs/dbraw/zinc/43/24/67/971432467.db2.gz LPEXORKDABBDQR-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@H](C)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001257512225 971432468 /nfs/dbraw/zinc/43/24/68/971432468.db2.gz LPEXORKDABBDQR-NWDGAFQWSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@H]1CC[N@@H+]([C@H]2CCCSC2)CC1(F)F ZINC001257670850 971472277 /nfs/dbraw/zinc/47/22/77/971472277.db2.gz JZECLVQMCKGLMH-UWVGGRQHSA-N 1 2 235.343 2.859 20 0 BFADLO C[C@H]1CC[N@H+]([C@H]2CCCSC2)CC1(F)F ZINC001257670850 971472282 /nfs/dbraw/zinc/47/22/82/971472282.db2.gz JZECLVQMCKGLMH-UWVGGRQHSA-N 1 2 235.343 2.859 20 0 BFADLO CC(C)(C)[NH+]1CC(Oc2ccccc2F)C1 ZINC001225201185 974220527 /nfs/dbraw/zinc/22/05/27/974220527.db2.gz GHACTCHTPYAPHX-UHFFFAOYSA-N 1 2 223.291 2.687 20 0 BFADLO Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC001218005543 971567557 /nfs/dbraw/zinc/56/75/57/971567557.db2.gz LILPXJTUXXBNPV-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cccc(F)c1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218013159 971570125 /nfs/dbraw/zinc/57/01/25/971570125.db2.gz ZJDLBQCAFXYIFH-SNVBAGLBSA-N 1 2 245.244 2.510 20 0 BFADLO COC(=O)C1([NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258053562 971576566 /nfs/dbraw/zinc/57/65/66/971576566.db2.gz VVBDDMQEECNEIN-RYUDHWBXSA-N 1 2 241.375 2.742 20 0 BFADLO COC(=O)C1([NH2+][C@H](C)C[C@@H](C)CC(C)C)CC1 ZINC001258053561 971577329 /nfs/dbraw/zinc/57/73/29/971577329.db2.gz VVBDDMQEECNEIN-NWDGAFQWSA-N 1 2 241.375 2.742 20 0 BFADLO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc(S)c1 ZINC001218024772 971577603 /nfs/dbraw/zinc/57/76/03/971577603.db2.gz BLXBWJCWVRBKAF-MFKMUULPSA-N 1 2 237.368 2.742 20 0 BFADLO Sc1cccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218088906 971598955 /nfs/dbraw/zinc/59/89/55/971598955.db2.gz GIMQOOKRBOSKIF-KGLIPLIRSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218121658 971604516 /nfs/dbraw/zinc/60/45/16/971604516.db2.gz WUFQQWNLKZVXIO-UONOGXRCSA-N 1 2 249.379 2.805 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(Cl)cc(CO)c1 ZINC001245090712 971644709 /nfs/dbraw/zinc/64/47/09/971644709.db2.gz WSINJCYZJSCZBT-QIAUARBPSA-N 1 2 223.703 2.708 20 0 BFADLO FC1(F)C[NH2+]C[C@H](Oc2ccc(Cl)cc2)C1 ZINC001218270551 971668572 /nfs/dbraw/zinc/66/85/72/971668572.db2.gz DURGWEGPTSKLKK-SNVBAGLBSA-N 1 2 247.672 2.716 20 0 BFADLO Cc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)c(C)c1 ZINC001218273963 971669479 /nfs/dbraw/zinc/66/94/79/971669479.db2.gz UTCCGFKRRHYCPM-NSHDSACASA-N 1 2 241.281 2.679 20 0 BFADLO C=Cc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218278949 971670448 /nfs/dbraw/zinc/67/04/48/971670448.db2.gz NKSQLDVDWGGBEP-GFCCVEGCSA-N 1 2 239.265 2.706 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1ccncc1 ZINC001225289345 974363391 /nfs/dbraw/zinc/36/33/91/974363391.db2.gz IQJBMZQVMXFNDO-SNVBAGLBSA-N 1 2 200.241 2.617 20 0 BFADLO Nc1cc[nH+]c(O[C@H]2CC3CCC2CC3)c1 ZINC001218300603 971699087 /nfs/dbraw/zinc/69/90/87/971699087.db2.gz PEOOPNPPOVUOTP-CBINBANVSA-N 1 2 218.300 2.621 20 0 BFADLO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(S)cc1 ZINC001218312498 971702577 /nfs/dbraw/zinc/70/25/77/971702577.db2.gz DJLMVKZEIBQLOS-LBPRGKRZSA-N 1 2 237.368 2.742 20 0 BFADLO c1c[nH+]c(-c2ccc(C3=CCCOC3)cc2)[nH]1 ZINC001245160963 971714733 /nfs/dbraw/zinc/71/47/33/971714733.db2.gz SCPFHIGKFMHCBS-UHFFFAOYSA-N 1 2 226.279 2.880 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C2=CCCOC2)cc1 ZINC001245160604 971717302 /nfs/dbraw/zinc/71/73/02/971717302.db2.gz CNAVVIUPDHSTGL-UHFFFAOYSA-N 1 2 240.306 2.891 20 0 BFADLO C[C@H](Oc1cc(N)cc[nH+]1)C1CCCC1 ZINC001218359207 971730999 /nfs/dbraw/zinc/73/09/99/971730999.db2.gz POMBIPYFZADSBW-VIFPVBQESA-N 1 2 206.289 2.621 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218408325 971778586 /nfs/dbraw/zinc/77/85/86/971778586.db2.gz UTUXOQGEZYUHBY-MNOVXSKESA-N 1 2 237.368 2.803 20 0 BFADLO Cc1cc(N(C)[C@@H](C)CCO)[nH+]c2ccccc12 ZINC001327282475 972532797 /nfs/dbraw/zinc/53/27/97/972532797.db2.gz JVWNIEXMGQXJSM-LBPRGKRZSA-N 1 2 244.338 2.750 20 0 BFADLO Cc1cc(-c2ncc(F)c3[nH]ccc32)c[nH+]c1N ZINC001245539041 971854545 /nfs/dbraw/zinc/85/45/45/971854545.db2.gz FARROAJESMDWLN-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1cc(-c2ccc3[nH]ccc3n2)c[nH+]c1N ZINC001245535495 971850240 /nfs/dbraw/zinc/85/02/40/971850240.db2.gz AASGTXJPMIZWGH-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COc1cc(Nc2cccc(N)c2)cc(C)[nH+]1 ZINC001159464774 971869491 /nfs/dbraw/zinc/86/94/91/971869491.db2.gz MDGDYEANGZDBNJ-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172335375 974600455 /nfs/dbraw/zinc/60/04/55/974600455.db2.gz FBIGBMXSOZZBFV-MNOVXSKESA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172335375 974600464 /nfs/dbraw/zinc/60/04/64/974600464.db2.gz FBIGBMXSOZZBFV-MNOVXSKESA-N 1 2 235.318 2.921 20 0 BFADLO Cc1cc(NCc2ncon2)[nH+]c2ccccc12 ZINC000310804869 971986483 /nfs/dbraw/zinc/98/64/83/971986483.db2.gz UNPJSEFVNCWOQC-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO FC(F)(CNc1cccc[nH+]1)c1ccccn1 ZINC001170905026 972081684 /nfs/dbraw/zinc/08/16/84/972081684.db2.gz KEJRGAITXWLCQX-UHFFFAOYSA-N 1 2 235.237 2.681 20 0 BFADLO CSc1ccccc1OC1C[NH+](C(C)C)C1 ZINC001225668235 974635234 /nfs/dbraw/zinc/63/52/34/974635234.db2.gz IYQZCXUIBYRDOX-UHFFFAOYSA-N 1 2 237.368 2.880 20 0 BFADLO Fc1cccc2c1C[C@@H]([NH2+][C@@H]1CC1(F)F)CC2 ZINC001170951006 972138429 /nfs/dbraw/zinc/13/84/29/972138429.db2.gz WRYXOKXGWGIZDR-JOYOIKCWSA-N 1 2 241.256 2.680 20 0 BFADLO CCOC(=O)[C@H]1CCC[C@@H]1Nc1ccc(C)c[nH+]1 ZINC001170953931 972145746 /nfs/dbraw/zinc/14/57/46/972145746.db2.gz JVVZMFGNLYVHOQ-RYUDHWBXSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)cc2C)no1 ZINC001213503343 956956146 /nfs/dbraw/zinc/95/61/46/956956146.db2.gz AEIPCTNAVKZILQ-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1cc(C)c(Nc2cccc(F)n2)c[nH+]1 ZINC001213505286 957002122 /nfs/dbraw/zinc/00/21/22/957002122.db2.gz ASWAMVJRFZRMHF-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc(O)c(Nc2c[nH+]c(C)cc2C)n1 ZINC001213505972 957027459 /nfs/dbraw/zinc/02/74/59/957027459.db2.gz WNRKPSIODOENML-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO CC1(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CCCCC1 ZINC001208901553 957233543 /nfs/dbraw/zinc/23/35/43/957233543.db2.gz ARFWLPKSPIKKKD-NSHDSACASA-N 1 2 247.329 2.659 20 0 BFADLO CC1(C[N@H+]2CC[C@H](O)C(F)(F)C2)CCCCC1 ZINC001208901553 957233557 /nfs/dbraw/zinc/23/35/57/957233557.db2.gz ARFWLPKSPIKKKD-NSHDSACASA-N 1 2 247.329 2.659 20 0 BFADLO Oc1ccc2c(c1)C[C@@H](Nc1cccc[nH+]1)CC2 ZINC001171030371 972254276 /nfs/dbraw/zinc/25/42/76/972254276.db2.gz LXVFRUKACKUNTO-ZDUSSCGKSA-N 1 2 240.306 2.757 20 0 BFADLO Fc1cc(F)c(CC[N@H+]2CC[C@@H](F)C2)cc1F ZINC001209251609 957369588 /nfs/dbraw/zinc/36/95/88/957369588.db2.gz WNDBKWBJWMBGLJ-SECBINFHSA-N 1 2 247.235 2.690 20 0 BFADLO Fc1cc(F)c(CC[N@@H+]2CC[C@@H](F)C2)cc1F ZINC001209251609 957369597 /nfs/dbraw/zinc/36/95/97/957369597.db2.gz WNDBKWBJWMBGLJ-SECBINFHSA-N 1 2 247.235 2.690 20 0 BFADLO Cc1ncccc1C[N@H+](C)Cc1cccc(F)n1 ZINC001140135519 957615316 /nfs/dbraw/zinc/61/53/16/957615316.db2.gz JFJSJEQJVWSFQT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncccc1C[N@@H+](C)Cc1cccc(F)n1 ZINC001140135519 957615319 /nfs/dbraw/zinc/61/53/19/957615319.db2.gz JFJSJEQJVWSFQT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCOc1cc(Nc2c[nH+]c(C)c(N)c2)ccn1 ZINC001210286960 957714946 /nfs/dbraw/zinc/71/49/46/957714946.db2.gz HWQYQVJVEWFAER-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO Cc1[nH+]cc(Nc2nc3c(s2)CCC3)cc1N ZINC001210286036 957715571 /nfs/dbraw/zinc/71/55/71/957715571.db2.gz USYPMLOTWFMYCS-UHFFFAOYSA-N 1 2 246.339 2.661 20 0 BFADLO CCOc1cc(Nc2cncc(N)c2)cc(C)[nH+]1 ZINC001210436201 957746686 /nfs/dbraw/zinc/74/66/86/957746686.db2.gz AAWLIMGCFGLQDO-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO Cc1cccn2c(C[N@H+]3C[C@@H](F)C[C@H]3C)cnc12 ZINC001136958334 972306091 /nfs/dbraw/zinc/30/60/91/972306091.db2.gz NNVYIELRBFEDEE-NEPJUHHUSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1cccn2c(C[N@@H+]3C[C@@H](F)C[C@H]3C)cnc12 ZINC001136958334 972306097 /nfs/dbraw/zinc/30/60/97/972306097.db2.gz NNVYIELRBFEDEE-NEPJUHHUSA-N 1 2 247.317 2.575 20 0 BFADLO COc1cc(Nc2nc(C)cnc2C)cc(C)[nH+]1 ZINC001210775611 957875842 /nfs/dbraw/zinc/87/58/42/957875842.db2.gz HMGLTAYSVAFQSD-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1cc(Nc2ccc(F)c(O)c2)cc(C)[nH+]1 ZINC001210780937 957879390 /nfs/dbraw/zinc/87/93/90/957879390.db2.gz KTKKFASEHONYFB-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1cc(Nc2cc(C)cc(F)n2)cc(C)[nH+]1 ZINC001210780148 957880699 /nfs/dbraw/zinc/88/06/99/957880699.db2.gz ILDMUVHIIKPPIQ-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO C[C@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)CCO1 ZINC001136979031 972310894 /nfs/dbraw/zinc/31/08/94/972310894.db2.gz DGFOQLSAVUPNQR-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCO1 ZINC001136979031 972310897 /nfs/dbraw/zinc/31/08/97/972310897.db2.gz DGFOQLSAVUPNQR-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO Cc1c[nH+]cc(Nc2nccnc2C)c1C ZINC001213522882 958196580 /nfs/dbraw/zinc/19/65/80/958196580.db2.gz IMJUNNVJARLMQA-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1conc1Nc1c[nH+]cc(C)c1C ZINC001213522653 958197795 /nfs/dbraw/zinc/19/77/95/958197795.db2.gz FBFSIHYNFJIZEY-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCCCC[C@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246457020 972328481 /nfs/dbraw/zinc/32/84/81/972328481.db2.gz BXGPXFRNZKDVNA-WDEREUQCSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCC[C@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246457020 972328487 /nfs/dbraw/zinc/32/84/87/972328487.db2.gz BXGPXFRNZKDVNA-WDEREUQCSA-N 1 2 234.334 2.542 20 0 BFADLO Cc1cncc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001207155685 958237643 /nfs/dbraw/zinc/23/76/43/958237643.db2.gz YFLRFQKPJRHMRH-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1 ZINC001207155685 958237659 /nfs/dbraw/zinc/23/76/59/958237659.db2.gz YFLRFQKPJRHMRH-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO CCCNc1cc(N2CCC[C@H]2C2CC2)nc[nH+]1 ZINC000706841409 958247364 /nfs/dbraw/zinc/24/73/64/958247364.db2.gz SHSUHXATTYRBLY-LBPRGKRZSA-N 1 2 246.358 2.677 20 0 BFADLO CCCNc1cc(N2CCC[C@H]2C2CC2)[nH+]cn1 ZINC000706841409 958247382 /nfs/dbraw/zinc/24/73/82/958247382.db2.gz SHSUHXATTYRBLY-LBPRGKRZSA-N 1 2 246.358 2.677 20 0 BFADLO Nc1cc(Cl)[nH+]c(N2CCC23CCCC3)c1 ZINC000707222398 958414887 /nfs/dbraw/zinc/41/48/87/958414887.db2.gz JDAPOOSUCNDTDQ-UHFFFAOYSA-N 1 2 237.734 2.840 20 0 BFADLO COc1c(F)cc(C[NH+]2CCC2)cc1Cl ZINC001143837526 972368778 /nfs/dbraw/zinc/36/87/78/972368778.db2.gz SXZYZABUIKGSGG-UHFFFAOYSA-N 1 2 229.682 2.693 20 0 BFADLO N#Cc1cnccc1Nc1cccc2cc[nH+]cc21 ZINC000399521658 958758834 /nfs/dbraw/zinc/75/88/34/958758834.db2.gz OYCJAIPHRJAUBD-UHFFFAOYSA-N 1 2 246.273 2.667 20 0 BFADLO C[C@@H](Cc1ccccc1)OCCn1cc[nH+]c1 ZINC001222134488 972381543 /nfs/dbraw/zinc/38/15/43/972381543.db2.gz DTTDMHWUYIWGIT-ZDUSSCGKSA-N 1 2 230.311 2.531 20 0 BFADLO C[C@H](Cc1ccccc1)OCCn1cc[nH+]c1 ZINC001222134487 972382915 /nfs/dbraw/zinc/38/29/15/972382915.db2.gz DTTDMHWUYIWGIT-CYBMUJFWSA-N 1 2 230.311 2.531 20 0 BFADLO C[C@@H](CCc1ccccc1)OCCn1cc[nH+]c1 ZINC001222135162 972383727 /nfs/dbraw/zinc/38/37/27/972383727.db2.gz WWCGFNMEVJNEQO-AWEZNQCLSA-N 1 2 244.338 2.921 20 0 BFADLO Cc1cc(Cl)nc(NCc2cc[nH+]c(N)c2)c1 ZINC001167615811 959079622 /nfs/dbraw/zinc/07/96/22/959079622.db2.gz XAIZLELSPHENNN-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Nc1cc(CNc2ccc3[nH]ccc3c2)cc[nH+]1 ZINC001167617867 959087596 /nfs/dbraw/zinc/08/75/96/959087596.db2.gz ZBPNHCOOAOVGSG-UHFFFAOYSA-N 1 2 238.294 2.757 20 0 BFADLO CC1(C)C[NH2+]CC[C@H]1Oc1ccccc1S ZINC001218315784 959971322 /nfs/dbraw/zinc/97/13/22/959971322.db2.gz YFKIESOYHRODOI-GFCCVEGCSA-N 1 2 237.368 2.742 20 0 BFADLO C[C@@H]1CCC[C@@H](Oc2cc(N)cc[nH+]2)[C@H]1C ZINC001218352661 959987499 /nfs/dbraw/zinc/98/74/99/959987499.db2.gz JNJICRCBPVJZGV-JFGNBEQYSA-N 1 2 220.316 2.867 20 0 BFADLO CCOc1c(F)cc(C[NH+]2CCC2)cc1F ZINC001144016872 972481319 /nfs/dbraw/zinc/48/13/19/972481319.db2.gz IOLYWVCYVCXXCF-UHFFFAOYSA-N 1 2 227.254 2.569 20 0 BFADLO CCOc1c(F)cc(C[N@@H+]2CC[C@@H]2C)cc1F ZINC001144023443 972491557 /nfs/dbraw/zinc/49/15/57/972491557.db2.gz VOIURBWZZWRRBQ-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1c(F)cc(C[N@H+]2CC[C@@H]2C)cc1F ZINC001144023443 972491569 /nfs/dbraw/zinc/49/15/69/972491569.db2.gz VOIURBWZZWRRBQ-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CC[NH2+]Cc1noc(C2CCC3(CC3)CC2)n1 ZINC000695641216 960312783 /nfs/dbraw/zinc/31/27/83/960312783.db2.gz IIJPSDLLVSOIST-UHFFFAOYSA-N 1 2 235.331 2.617 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccno2)c(F)c1 ZINC001141195699 960452877 /nfs/dbraw/zinc/45/28/77/960452877.db2.gz ZCBYTIXQLYJMRC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccno2)c(F)c1 ZINC001141195699 960452888 /nfs/dbraw/zinc/45/28/88/960452888.db2.gz ZCBYTIXQLYJMRC-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[N@@H+](Cc1cc[nH]c1)Cc1cnc(Cl)s1 ZINC001140704810 960513832 /nfs/dbraw/zinc/51/38/32/960513832.db2.gz IHJVYXSQPLRQLP-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@H+](Cc1cc[nH]c1)Cc1cnc(Cl)s1 ZINC001140704810 960513844 /nfs/dbraw/zinc/51/38/44/960513844.db2.gz IHJVYXSQPLRQLP-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001140777024 960560014 /nfs/dbraw/zinc/56/00/14/960560014.db2.gz GZUIVHKKNGMITR-LLVKDONJSA-N 1 2 235.302 2.688 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001140777024 960560025 /nfs/dbraw/zinc/56/00/25/960560025.db2.gz GZUIVHKKNGMITR-LLVKDONJSA-N 1 2 235.302 2.688 20 0 BFADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1coc2ccccc12 ZINC001140782647 960573837 /nfs/dbraw/zinc/57/38/37/960573837.db2.gz NTOOXHWZMFIMNY-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1coc2ccccc12 ZINC001140782647 960573845 /nfs/dbraw/zinc/57/38/45/960573845.db2.gz NTOOXHWZMFIMNY-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO O=C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC001140782654 960574186 /nfs/dbraw/zinc/57/41/86/960574186.db2.gz OKKWGDSOGABOGA-UHFFFAOYSA-N 1 2 229.279 2.598 20 0 BFADLO Cc1cc(-c2cnn(C3CCC3)c2)c[nH+]c1N ZINC000724344060 960595982 /nfs/dbraw/zinc/59/59/82/960595982.db2.gz AVNWYZQSPAFULR-UHFFFAOYSA-N 1 2 228.299 2.561 20 0 BFADLO COc1cccc([C@@H](C)OCc2c[nH+]cn2C)c1 ZINC001222594064 960719871 /nfs/dbraw/zinc/71/98/71/960719871.db2.gz CCEXXGGZNYOAPX-LLVKDONJSA-N 1 2 246.310 2.707 20 0 BFADLO CCCC(CCC)OCc1c[nH+]cn1C ZINC001222595074 960721068 /nfs/dbraw/zinc/72/10/68/960721068.db2.gz NMOXQBCERUTOCY-UHFFFAOYSA-N 1 2 210.321 2.906 20 0 BFADLO Oc1c(F)cc(C[N@@H+]2CCC3(CC3)C2)cc1F ZINC001140989099 960781081 /nfs/dbraw/zinc/78/10/81/960781081.db2.gz VEHCZXGTPJCOGO-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1c(F)cc(C[N@H+]2CCC3(CC3)C2)cc1F ZINC001140989099 960781092 /nfs/dbraw/zinc/78/10/92/960781092.db2.gz VEHCZXGTPJCOGO-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)nc2Cl)C1 ZINC001141133611 960888230 /nfs/dbraw/zinc/88/82/30/960888230.db2.gz VQJHJFJKDSNFQK-ZETCQYMHSA-N 1 2 246.141 2.625 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)nc2Cl)C1 ZINC001141133611 960888232 /nfs/dbraw/zinc/88/82/32/960888232.db2.gz VQJHJFJKDSNFQK-ZETCQYMHSA-N 1 2 246.141 2.625 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCCC23COC3)c(F)c1 ZINC001141194730 960927905 /nfs/dbraw/zinc/92/79/05/960927905.db2.gz LSITURQDFOFDSH-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@H+]2CCCCC23COC3)c(F)c1 ZINC001141194730 960927935 /nfs/dbraw/zinc/92/79/35/960927935.db2.gz LSITURQDFOFDSH-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c(F)c1 ZINC001141191608 960933084 /nfs/dbraw/zinc/93/30/84/960933084.db2.gz PZCVKQKRJYTHFB-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c(F)c1 ZINC001141191608 960933098 /nfs/dbraw/zinc/93/30/98/960933098.db2.gz PZCVKQKRJYTHFB-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccncn2)c(F)c1 ZINC001141198148 960950924 /nfs/dbraw/zinc/95/09/24/960950924.db2.gz XLEXDYPFKHNGEX-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccncn2)c(F)c1 ZINC001141198148 960950936 /nfs/dbraw/zinc/95/09/36/960950936.db2.gz XLEXDYPFKHNGEX-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(Nc2cccc(CCO)c2)c(C)[nH+]1 ZINC001203105685 960966684 /nfs/dbraw/zinc/96/66/84/960966684.db2.gz BAXMMZGWYJNPGJ-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(Cl)cc2C)C1 ZINC001141229301 960989655 /nfs/dbraw/zinc/98/96/55/960989655.db2.gz BHSRGUYEIHUGGP-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001141231605 961006933 /nfs/dbraw/zinc/00/69/33/961006933.db2.gz ZICZFXVNJWPQFM-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001141231605 961006957 /nfs/dbraw/zinc/00/69/57/961006957.db2.gz ZICZFXVNJWPQFM-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO O=C(CCCF)Nc1ccccc1-n1cc[nH+]c1 ZINC001141526174 961089109 /nfs/dbraw/zinc/08/91/09/961089109.db2.gz XUBDRODBQLTWHF-UHFFFAOYSA-N 1 2 247.273 2.561 20 0 BFADLO [NH2+]=CNc1c(F)cccc1Br ZINC001167864057 961331462 /nfs/dbraw/zinc/33/14/62/961331462.db2.gz AGVAZUQOMKYOEH-UHFFFAOYSA-N 1 2 217.041 2.607 20 0 BFADLO [NH2+]=CNc1ncc(C(F)(F)F)cc1C1CC1 ZINC001167865303 961336093 /nfs/dbraw/zinc/33/60/93/961336093.db2.gz OHVYAYRQOWABLN-UHFFFAOYSA-N 1 2 229.205 2.997 20 0 BFADLO CCCOCCNc1ccc(N2CCCC2)[nH+]c1 ZINC001167873311 961392985 /nfs/dbraw/zinc/39/29/85/961392985.db2.gz MBLINGXLZQBNAF-UHFFFAOYSA-N 1 2 249.358 2.520 20 0 BFADLO COc1cc(C)cc(Nc2[nH+]cccc2N)c1 ZINC001211722435 961688599 /nfs/dbraw/zinc/68/85/99/961688599.db2.gz APFPGBZPLYNFKZ-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Fc1cc(Nc2cccc3[nH+]ccn32)cc(F)n1 ZINC001213077265 961688954 /nfs/dbraw/zinc/68/89/54/961688954.db2.gz OOAWIEQZMYLLEB-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO Nc1ccc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001211818191 961963363 /nfs/dbraw/zinc/96/33/63/961963363.db2.gz CPHACUHTAOAMOE-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO Nc1ccc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001211822114 962015341 /nfs/dbraw/zinc/01/53/41/962015341.db2.gz URJKHWLSISBKNQ-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO CCc1cccc(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC000045858579 962067520 /nfs/dbraw/zinc/06/75/20/962067520.db2.gz YMZPNOZVVMSNFY-NSHDSACASA-N 1 2 243.310 2.645 20 0 BFADLO Cc1oncc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC001154883711 962876334 /nfs/dbraw/zinc/87/63/34/962876334.db2.gz ANLISBKMIVOMAP-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO COc1nc(Cl)cc(NC(=[NH2+])C(C)(C)C)n1 ZINC001155176266 963002058 /nfs/dbraw/zinc/00/20/58/963002058.db2.gz WRFIPDSTFVUBJK-UHFFFAOYSA-N 1 2 242.710 2.574 20 0 BFADLO CC(C)(C)CCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001161673490 963147089 /nfs/dbraw/zinc/14/70/89/963147089.db2.gz IYWADHNJNTVFAJ-UHFFFAOYSA-N 1 2 236.294 2.897 20 0 BFADLO c1ccc2c(c1)cc[nH+]c2N1CCOCC12CC2 ZINC001155831456 963178406 /nfs/dbraw/zinc/17/84/06/963178406.db2.gz ZVHONMFCLAFCDO-UHFFFAOYSA-N 1 2 240.306 2.604 20 0 BFADLO CC[C@H](C)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167998788 963206545 /nfs/dbraw/zinc/20/65/45/963206545.db2.gz KLVJWLGBWFAEBA-JTQLQIEISA-N 1 2 244.342 2.906 20 0 BFADLO Cc1cc(F)cc(C[N@@H+]2CCn3cccc3C2)c1 ZINC001143585462 963219599 /nfs/dbraw/zinc/21/95/99/963219599.db2.gz AMNGQMGPGWBLLT-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1cc(F)cc(C[N@H+]2CCn3cccc3C2)c1 ZINC001143585462 963219610 /nfs/dbraw/zinc/21/96/10/963219610.db2.gz AMNGQMGPGWBLLT-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO COCc1cc[nH+]c(NC2(C)CCC2)c1 ZINC001156069339 963245878 /nfs/dbraw/zinc/24/58/78/963245878.db2.gz CESKRFJHFDMKEJ-UHFFFAOYSA-N 1 2 206.289 2.583 20 0 BFADLO Fc1cc2ncccc2cc1C[N@H+]1CC[C@H](F)C1 ZINC001141623663 963247764 /nfs/dbraw/zinc/24/77/64/963247764.db2.gz ONSQTNADUIVGCB-LBPRGKRZSA-N 1 2 248.276 2.918 20 0 BFADLO Fc1cc2ncccc2cc1C[N@@H+]1CC[C@H](F)C1 ZINC001141623663 963247780 /nfs/dbraw/zinc/24/77/80/963247780.db2.gz ONSQTNADUIVGCB-LBPRGKRZSA-N 1 2 248.276 2.918 20 0 BFADLO Cc1nc(NCc2cc[nH+]c(N)c2)ccc1Cl ZINC001156757282 963453143 /nfs/dbraw/zinc/45/31/43/963453143.db2.gz PTKWRRRRCIUFBU-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CSc1cc[nH+]c(NC2(CO)CCCC2)c1 ZINC001157009085 963513988 /nfs/dbraw/zinc/51/39/88/963513988.db2.gz WHMVSTBJKVILCY-UHFFFAOYSA-N 1 2 238.356 2.521 20 0 BFADLO CC[NH+]1CC(Oc2cc(C(C)(C)C)ccc2O)C1 ZINC001227425718 963524647 /nfs/dbraw/zinc/52/46/47/963524647.db2.gz ZHQRTFAWFFCDHA-UHFFFAOYSA-N 1 2 249.354 2.773 20 0 BFADLO Cc1c(Cl)nc(C(C)C)nc1NC=[NH2+] ZINC001157079967 963525237 /nfs/dbraw/zinc/52/52/37/963525237.db2.gz KQZRMECXIPYFNN-UHFFFAOYSA-N 1 2 212.684 2.581 20 0 BFADLO C=Cc1ccc(NCCOCCC)[nH+]c1 ZINC001157090212 963531725 /nfs/dbraw/zinc/53/17/25/963531725.db2.gz UPGGQRHAVRWVAQ-UHFFFAOYSA-N 1 2 206.289 2.563 20 0 BFADLO COc1c[nH+]c(NC[C@H]2C[C@H](F)C2)c(C)c1 ZINC001157452879 963611211 /nfs/dbraw/zinc/61/12/11/963611211.db2.gz MXTULOSXTAVDSC-MGCOHNPYSA-N 1 2 224.279 2.559 20 0 BFADLO Cc1cc(NC[C@@H]2CC(C)(C)O2)nc(C(C)C)[nH+]1 ZINC001157659767 963692405 /nfs/dbraw/zinc/69/24/05/963692405.db2.gz FLMPRFXUVSIBHU-NSHDSACASA-N 1 2 249.358 2.888 20 0 BFADLO COc1c[nH+]c(NCCCOC(C)C)c(C)c1 ZINC001157870124 963752703 /nfs/dbraw/zinc/75/27/03/963752703.db2.gz GIBXTQHCOGPBCV-UHFFFAOYSA-N 1 2 238.331 2.626 20 0 BFADLO CCCNc1[nH+]cccc1-n1cccc1 ZINC001168130864 963814890 /nfs/dbraw/zinc/81/48/90/963814890.db2.gz VJMOQRZVFVISTD-UHFFFAOYSA-N 1 2 201.273 2.694 20 0 BFADLO CCCNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001168131318 963816389 /nfs/dbraw/zinc/81/63/89/963816389.db2.gz ALAPXSPWIGPJKM-UHFFFAOYSA-N 1 2 215.300 2.753 20 0 BFADLO CC1CCC([N@@H+]2CCOCC(F)(F)C2)CC1 ZINC001168209945 963985581 /nfs/dbraw/zinc/98/55/81/963985581.db2.gz ACOCZLGUQLCFCF-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO CC1CCC([N@H+]2CCOCC(F)(F)C2)CC1 ZINC001168209945 963985586 /nfs/dbraw/zinc/98/55/86/963985586.db2.gz ACOCZLGUQLCFCF-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO COc1ccc(C)[nH+]c1N1C2CCC1CC2 ZINC001159082456 963991565 /nfs/dbraw/zinc/99/15/65/963991565.db2.gz JDAXNPSFCWXNFS-UHFFFAOYSA-N 1 2 218.300 2.530 20 0 BFADLO CCOc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1 ZINC001159281323 964054011 /nfs/dbraw/zinc/05/40/11/964054011.db2.gz XMLWUQPMPSWAQU-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO CC[C@@H](Nc1cc(N)nc[nH+]1)c1ccccc1C ZINC001160038199 964245218 /nfs/dbraw/zinc/24/52/18/964245218.db2.gz NNGIESJGHOECAL-GFCCVEGCSA-N 1 2 242.326 2.930 20 0 BFADLO CC(F)(F)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000697576518 964328647 /nfs/dbraw/zinc/32/86/47/964328647.db2.gz BTVVWMROVJQEEB-JTQLQIEISA-N 1 2 249.688 2.618 20 0 BFADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)CCO2 ZINC000697592192 964332396 /nfs/dbraw/zinc/33/23/96/964332396.db2.gz QYDSNQYNYWNAFU-VIFPVBQESA-N 1 2 241.281 2.927 20 0 BFADLO Clc1cc(Nc2cccc3[nH+]c[nH]c32)cnn1 ZINC001213026394 964414976 /nfs/dbraw/zinc/41/49/76/964414976.db2.gz XAQYBSHVUUHXDQ-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Clc1ncc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213027001 964418286 /nfs/dbraw/zinc/41/82/86/964418286.db2.gz CSTGGBRSXCIFPE-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO CCC1(Nc2cc3cc(F)ccc3c[nH+]2)COC1 ZINC001168316598 964432869 /nfs/dbraw/zinc/43/28/69/964432869.db2.gz LAOGHKGRKYBVQF-UHFFFAOYSA-N 1 2 246.285 2.965 20 0 BFADLO Clc1ncncc1Nc1cccc2[nH+]c[nH]c21 ZINC001213027113 964438101 /nfs/dbraw/zinc/43/81/01/964438101.db2.gz JTNPKRCWAHXPMT-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO C=Cc1ccc(NCCO[C@@H]2CCCCO2)[nH+]c1 ZINC001160923937 964445338 /nfs/dbraw/zinc/44/53/38/964445338.db2.gz VOHJPBCNLQYNLX-CQSZACIVSA-N 1 2 248.326 2.680 20 0 BFADLO c1nn2ccccc2c1Nc1cccc2[nH+]c[nH]c21 ZINC001213029438 964492226 /nfs/dbraw/zinc/49/22/26/964492226.db2.gz LZHLMKQZHOGYIY-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO COc1c[nH+]c(NCC(C)C)c2[nH]ccc21 ZINC001161644839 964659893 /nfs/dbraw/zinc/65/98/93/964659893.db2.gz KRUFOIBHMQSNSU-UHFFFAOYSA-N 1 2 219.288 2.639 20 0 BFADLO CSc1cc[nH+]c(N[C@H]2CCO[C@H](C)C2)c1 ZINC001161694878 964691179 /nfs/dbraw/zinc/69/11/79/964691179.db2.gz AODPOMYFRKCVMP-ZJUUUORDSA-N 1 2 238.356 2.783 20 0 BFADLO CC(C)[C@H](CO)Nc1cc2cc(F)ccc2c[nH+]1 ZINC001161736981 964723027 /nfs/dbraw/zinc/72/30/27/964723027.db2.gz IVHYCFQUXINPQQ-ZDUSSCGKSA-N 1 2 248.301 2.803 20 0 BFADLO Cc1cc2cc(NCCOC(C)C)[nH+]cc2[nH]1 ZINC001161787940 964752684 /nfs/dbraw/zinc/75/26/84/964752684.db2.gz BRYAAMIXGHLUQG-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO FC(F)CNc1ccc(Cn2cc[nH+]c2)cc1 ZINC001161815575 964768893 /nfs/dbraw/zinc/76/88/93/964768893.db2.gz KDOLOUPQWDFFOZ-UHFFFAOYSA-N 1 2 237.253 2.608 20 0 BFADLO Cc1cc(NCC(F)F)ccc1[NH+](C)C ZINC001161817364 964771073 /nfs/dbraw/zinc/77/10/73/964771073.db2.gz MCBFXSUYQMZZEO-UHFFFAOYSA-N 1 2 214.259 2.738 20 0 BFADLO Cc1cc(NC2CSC2)cc(OC(F)F)[nH+]1 ZINC001168367172 964809661 /nfs/dbraw/zinc/80/96/61/964809661.db2.gz HYANAZMPPJEMID-UHFFFAOYSA-N 1 2 246.282 2.519 20 0 BFADLO Cc1cc(NC2CC(F)C2)[nH+]c2cc[nH]c21 ZINC001162217413 964875727 /nfs/dbraw/zinc/87/57/27/964875727.db2.gz SLBAAMQYYKBAHK-UHFFFAOYSA-N 1 2 219.263 2.784 20 0 BFADLO Cc1cc(NC2CC(F)C2)ccc1[NH+](C)C ZINC001162213960 964876611 /nfs/dbraw/zinc/87/66/11/964876611.db2.gz JMSRZLAJVPTQSC-UHFFFAOYSA-N 1 2 222.307 2.973 20 0 BFADLO CC(F)(F)CNc1[nH+]cccc1-n1cccc1 ZINC001162228804 964884412 /nfs/dbraw/zinc/88/44/12/964884412.db2.gz XQECZXJFRFLUBA-UHFFFAOYSA-N 1 2 237.253 2.939 20 0 BFADLO COC(=[NH2+])c1cccc(NCC(C)(F)F)c1 ZINC001162232929 964886527 /nfs/dbraw/zinc/88/65/27/964886527.db2.gz LIXSFWMUFXVGMZ-UHFFFAOYSA-N 1 2 228.242 2.725 20 0 BFADLO C[C@@]1(O)CC[C@@H](Nc2cc3cc[nH]c3c[nH+]2)CC1 ZINC001162354285 964941326 /nfs/dbraw/zinc/94/13/26/964941326.db2.gz NUKZJPLLZMSBAT-YEORSEQZSA-N 1 2 245.326 2.668 20 0 BFADLO Cc1c2[nH]c(C[NH+](C)C)nc2ccc1Cl ZINC000380055516 964942292 /nfs/dbraw/zinc/94/22/92/964942292.db2.gz YEDCOMMEHOFKMG-UHFFFAOYSA-N 1 2 223.707 2.586 20 0 BFADLO Nc1cn2ccc(N[C@@H]3CCCC[C@H]3F)cc2[nH+]1 ZINC001162508701 965004012 /nfs/dbraw/zinc/00/40/12/965004012.db2.gz OIZQASXLVSHEKC-GHMZBOCLSA-N 1 2 248.305 2.609 20 0 BFADLO Nc1cn(-c2cc[nH+]cc2Cl)c2ncccc12 ZINC001212146613 965077044 /nfs/dbraw/zinc/07/70/44/965077044.db2.gz HYBUANCSHPHTQW-UHFFFAOYSA-N 1 2 244.685 2.656 20 0 BFADLO COc1cc[nH+]cc1NC[C@H]1CCC(F)(F)C1 ZINC001162648275 965087013 /nfs/dbraw/zinc/08/70/13/965087013.db2.gz NDUAMWSXAIOMHY-VIFPVBQESA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(Cl)nnc1NC(=[NH2+])C(C)(C)C ZINC001162655368 965089238 /nfs/dbraw/zinc/08/92/38/965089238.db2.gz KNYWCSKTZGNAHH-UHFFFAOYSA-N 1 2 226.711 2.874 20 0 BFADLO Cc1nc2nc(NC(=[NH2+])C(C)(C)C)ccc2[nH]1 ZINC001162664988 965102231 /nfs/dbraw/zinc/10/22/31/965102231.db2.gz ZXENSNQFOUEPLI-UHFFFAOYSA-N 1 2 231.303 2.702 20 0 BFADLO CC(C)COc1cc(NCC2CC(=O)C2)cc[nH+]1 ZINC001168397684 965159951 /nfs/dbraw/zinc/15/99/51/965159951.db2.gz CPCTWDMFQSWTHZ-UHFFFAOYSA-N 1 2 248.326 2.507 20 0 BFADLO COc1cc(C)c[nH+]c1N[C@@H](C)c1ccno1 ZINC001163212618 965301985 /nfs/dbraw/zinc/30/19/85/965301985.db2.gz HWTCNIVRWGUXOH-VIFPVBQESA-N 1 2 233.271 2.560 20 0 BFADLO CCc1cc(N[C@@H](C)C2CC2)nc(CC)[nH+]1 ZINC001163408916 965397575 /nfs/dbraw/zinc/39/75/75/965397575.db2.gz UNDUTPLGKHOVMS-VIFPVBQESA-N 1 2 219.332 2.812 20 0 BFADLO CCN(C)c1ccc2cc(OC)c(OC)cc2[nH+]1 ZINC001163585023 965465251 /nfs/dbraw/zinc/46/52/51/965465251.db2.gz QBEJSOPLRAVYMS-UHFFFAOYSA-N 1 2 246.310 2.708 20 0 BFADLO Cc1cc(N2CC(F)(C3CC3)C2)nc(C(C)C)[nH+]1 ZINC001163972132 965670378 /nfs/dbraw/zinc/67/03/78/965670378.db2.gz CAXQKFKGTMWQNK-UHFFFAOYSA-N 1 2 249.333 2.847 20 0 BFADLO CSc1cc[nH+]c(N2CC(F)(C3CC3)C2)c1 ZINC001163972566 965670575 /nfs/dbraw/zinc/67/05/75/965670575.db2.gz TWALPDVHQWWJJW-UHFFFAOYSA-N 1 2 238.331 2.742 20 0 BFADLO Cc1nc(N(C)C2CC(C)C2)c(C)c(C)[nH+]1 ZINC001164199947 965793800 /nfs/dbraw/zinc/79/38/00/965793800.db2.gz YIVRJCUMJDEVTK-UHFFFAOYSA-N 1 2 219.332 2.637 20 0 BFADLO COc1ccc(C)[nH+]c1N1C[C@@H](C)C[C@H]1CF ZINC001164259033 965811709 /nfs/dbraw/zinc/81/17/09/965811709.db2.gz QYNPDZKTTDZNLQ-ONGXEEELSA-N 1 2 238.306 2.583 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)CC[C@@]1(C)O ZINC001164355185 965856151 /nfs/dbraw/zinc/85/61/51/965856151.db2.gz XRDFCCNGQGAEHE-IAQYHMDHSA-N 1 2 246.354 2.556 20 0 BFADLO Cc1cc(NCCn2cccc2)ccc1[NH+](C)C ZINC001164454883 965890565 /nfs/dbraw/zinc/89/05/65/965890565.db2.gz IZMHZZCNGVVZQB-UHFFFAOYSA-N 1 2 243.354 2.975 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC3(C2)CCCOC3)c1 ZINC001165308220 966042671 /nfs/dbraw/zinc/04/26/71/966042671.db2.gz CNJYPFWLXJYXRX-UHFFFAOYSA-N 1 2 244.338 2.576 20 0 BFADLO CC[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235415622 966058526 /nfs/dbraw/zinc/05/85/26/966058526.db2.gz YQHYLSLECWSKSW-NSHDSACASA-N 1 2 239.750 2.895 20 0 BFADLO CC[C@H]1CCCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235415622 966058541 /nfs/dbraw/zinc/05/85/41/966058541.db2.gz YQHYLSLECWSKSW-NSHDSACASA-N 1 2 239.750 2.895 20 0 BFADLO COc1cc[nH+]cc1NCCCc1ccncc1 ZINC001165524870 966116671 /nfs/dbraw/zinc/11/66/71/966116671.db2.gz MSFXDHPLRCHSHL-UHFFFAOYSA-N 1 2 243.310 2.530 20 0 BFADLO Fc1c[nH+]ccc1NC/C=C/c1ccccc1 ZINC001166097203 966242679 /nfs/dbraw/zinc/24/26/79/966242679.db2.gz PTBJMMOCJURKMJ-QPJJXVBHSA-N 1 2 228.270 2.768 20 0 BFADLO Cc1c[nH+]c(N(C)C(C)(C)C)nc1N1CCCC1 ZINC001166526784 966284230 /nfs/dbraw/zinc/28/42/30/966284230.db2.gz IOEHPDDVOPTUJL-UHFFFAOYSA-N 1 2 248.374 2.620 20 0 BFADLO COCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919149772 966295005 /nfs/dbraw/zinc/29/50/05/966295005.db2.gz FRUDLUJBJIRZEJ-UHFFFAOYSA-N 1 2 230.311 2.510 20 0 BFADLO FCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143273 966296652 /nfs/dbraw/zinc/29/66/52/966296652.db2.gz FNACXXSUAFNAIR-UHFFFAOYSA-N 1 2 218.275 2.834 20 0 BFADLO C[C@@H]1[C@@H](C)CCCN1c1ccc(Cl)c(N)[nH+]1 ZINC001166614395 966333107 /nfs/dbraw/zinc/33/31/07/966333107.db2.gz LFNSHCFSAQSXHG-DTWKUNHWSA-N 1 2 239.750 2.942 20 0 BFADLO CC(C)[C@@H]1COCCN1c1cccc(C2CC2)[nH+]1 ZINC001167000248 966515948 /nfs/dbraw/zinc/51/59/48/966515948.db2.gz XJEWLFTUAFRHAE-AWEZNQCLSA-N 1 2 246.354 2.820 20 0 BFADLO CCc1cc(C[N@@H+](CC)Cc2ccccn2)on1 ZINC001203226551 966569786 /nfs/dbraw/zinc/56/97/86/966569786.db2.gz OLEGKCNJMGYRKU-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1cc(C[N@H+](CC)Cc2ccccn2)on1 ZINC001203226551 966569791 /nfs/dbraw/zinc/56/97/91/966569791.db2.gz OLEGKCNJMGYRKU-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1ccc(Nc2nccnc2Cl)c(C)[nH+]1 ZINC001203362830 966614831 /nfs/dbraw/zinc/61/48/31/966614831.db2.gz GVVLJVBIJKDVKQ-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CNc1ccc(Nc2nc(C)ccc2OC)c[nH+]1 ZINC001203449171 966645819 /nfs/dbraw/zinc/64/58/19/966645819.db2.gz BJSNBBFXBHOKJU-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2ccc[nH]c2=S)c[nH+]1 ZINC001203449451 966647497 /nfs/dbraw/zinc/64/74/97/966647497.db2.gz GFYGKEUCHVTAPX-UHFFFAOYSA-N 1 2 232.312 2.551 20 0 BFADLO CNc1ccc(Nc2cncc(OC)c2C)c[nH+]1 ZINC001203448855 966648657 /nfs/dbraw/zinc/64/86/57/966648657.db2.gz NSEMETQTDOXKDC-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2cc(OC)ccc2O)c[nH+]1 ZINC001203456262 966655203 /nfs/dbraw/zinc/65/52/03/966655203.db2.gz ASZZHCKMKFLBIC-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO CNc1ccc(Nc2c(C)cccc2N)c[nH+]1 ZINC001203458330 966655445 /nfs/dbraw/zinc/65/54/45/966655445.db2.gz KQMKMTNXJPDHQK-UHFFFAOYSA-N 1 2 228.299 2.758 20 0 BFADLO CNc1ccc(Nc2ccc(O)cc2)c[nH+]1 ZINC001203454928 966656788 /nfs/dbraw/zinc/65/67/88/966656788.db2.gz MNPAXXHIJFRXQH-UHFFFAOYSA-N 1 2 215.256 2.573 20 0 BFADLO CCN(c1ccc(NC)[nH+]c1)c1ccccc1N ZINC001203456708 966657651 /nfs/dbraw/zinc/65/76/51/966657651.db2.gz SAPHNRCKFZSLFB-UHFFFAOYSA-N 1 2 242.326 2.864 20 0 BFADLO CNc1ccc(Nc2ccccc2[C@H](C)O)c[nH+]1 ZINC001203460327 966658464 /nfs/dbraw/zinc/65/84/64/966658464.db2.gz UHHOHCPDSNNCMJ-JTQLQIEISA-N 1 2 243.310 2.920 20 0 BFADLO CNc1ccc(Nc2cc(F)c(N)cc2C)c[nH+]1 ZINC001203459725 966658895 /nfs/dbraw/zinc/65/88/95/966658895.db2.gz PQWRHKWEWBMXRT-UHFFFAOYSA-N 1 2 246.289 2.897 20 0 BFADLO CCOc1ccccc1C[N@@H+]1CCCC(=O)CC1 ZINC001203536630 966672280 /nfs/dbraw/zinc/67/22/80/966672280.db2.gz BPCNUTMCVOSCCH-UHFFFAOYSA-N 1 2 247.338 2.640 20 0 BFADLO CCOc1ccccc1C[N@H+]1CCCC(=O)CC1 ZINC001203536630 966672286 /nfs/dbraw/zinc/67/22/86/966672286.db2.gz BPCNUTMCVOSCCH-UHFFFAOYSA-N 1 2 247.338 2.640 20 0 BFADLO Cc1ccc(Nc2ccc(N)nc2F)c(C)[nH+]1 ZINC001203608246 966702581 /nfs/dbraw/zinc/70/25/81/966702581.db2.gz WNTQRTLANSVERK-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(CO)cc2)c1 ZINC001203663555 966726012 /nfs/dbraw/zinc/72/60/12/966726012.db2.gz RBYASSMCOQDMFU-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CCCCOC1C[NH+](Cc2cccc(OC)c2)C1 ZINC001203822474 966791332 /nfs/dbraw/zinc/79/13/32/966791332.db2.gz RHURDGUADKOISH-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859178 966797602 /nfs/dbraw/zinc/79/76/02/966797602.db2.gz HFMPGZPVEMOYOI-QWHCGFSZSA-N 1 2 241.281 2.664 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(O)c2)C[C@@H]1F ZINC001203859178 966797624 /nfs/dbraw/zinc/79/76/24/966797624.db2.gz HFMPGZPVEMOYOI-QWHCGFSZSA-N 1 2 241.281 2.664 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1 ZINC001203922032 966808501 /nfs/dbraw/zinc/80/85/01/966808501.db2.gz ISJXCXFEZIZVSN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1 ZINC001203922032 966808508 /nfs/dbraw/zinc/80/85/08/966808508.db2.gz ISJXCXFEZIZVSN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](CO)C(C)(C)C)c1C ZINC001168557935 966878961 /nfs/dbraw/zinc/87/89/61/966878961.db2.gz RJPVNYHMOPKDAL-LBPRGKRZSA-N 1 2 222.332 2.517 20 0 BFADLO F[C@@H]1C[N@H+](Cc2cccnc2)CCCC1(F)F ZINC001204072583 966880371 /nfs/dbraw/zinc/88/03/71/966880371.db2.gz NOQNKGSZZHDGDT-LLVKDONJSA-N 1 2 244.260 2.651 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2cccnc2)CCCC1(F)F ZINC001204072583 966880376 /nfs/dbraw/zinc/88/03/76/966880376.db2.gz NOQNKGSZZHDGDT-LLVKDONJSA-N 1 2 244.260 2.651 20 0 BFADLO CCCn1c[nH+]cc1CN[C@H](CC)C(F)(F)F ZINC001204134900 966898928 /nfs/dbraw/zinc/89/89/28/966898928.db2.gz AQAHHJDAHCVPGD-SNVBAGLBSA-N 1 2 249.280 2.724 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC001204227574 966933147 /nfs/dbraw/zinc/93/31/47/966933147.db2.gz LWBIYKNLKGRETA-PELKAZGASA-N 1 2 229.245 2.755 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC001204227574 966933153 /nfs/dbraw/zinc/93/31/53/966933153.db2.gz LWBIYKNLKGRETA-PELKAZGASA-N 1 2 229.245 2.755 20 0 BFADLO C[N@@H+](Cc1cn(C2CC2)cn1)Cc1cccs1 ZINC001204221334 966933275 /nfs/dbraw/zinc/93/32/75/966933275.db2.gz UNSSZTUIHRGLND-UHFFFAOYSA-N 1 2 247.367 2.912 20 0 BFADLO C[N@H+](Cc1cn(C2CC2)cn1)Cc1cccs1 ZINC001204221334 966933279 /nfs/dbraw/zinc/93/32/79/966933279.db2.gz UNSSZTUIHRGLND-UHFFFAOYSA-N 1 2 247.367 2.912 20 0 BFADLO O=C1CC[N@H+](Cc2ccoc2)[C@H]2CCCC[C@@H]12 ZINC001204241191 966937770 /nfs/dbraw/zinc/93/77/70/966937770.db2.gz ZTQYMGQEZAFVOZ-OLZOCXBDSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccoc2)[C@H]2CCCC[C@@H]12 ZINC001204241191 966937771 /nfs/dbraw/zinc/93/77/71/966937771.db2.gz ZTQYMGQEZAFVOZ-OLZOCXBDSA-N 1 2 233.311 2.613 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(F)c1 ZINC001204430444 966994845 /nfs/dbraw/zinc/99/48/45/966994845.db2.gz IMFCYSZJYSJDIZ-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(F)c1 ZINC001204430444 966994855 /nfs/dbraw/zinc/99/48/55/966994855.db2.gz IMFCYSZJYSJDIZ-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)c(F)c1 ZINC001204430442 966996956 /nfs/dbraw/zinc/99/69/56/966996956.db2.gz IMFCYSZJYSJDIZ-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c(F)c1 ZINC001204430442 966996963 /nfs/dbraw/zinc/99/69/63/966996963.db2.gz IMFCYSZJYSJDIZ-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001204506741 967012318 /nfs/dbraw/zinc/01/23/18/967012318.db2.gz MJGZLQQWUAFHRP-JTQLQIEISA-N 1 2 235.302 2.545 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001204506741 967012327 /nfs/dbraw/zinc/01/23/27/967012327.db2.gz MJGZLQQWUAFHRP-JTQLQIEISA-N 1 2 235.302 2.545 20 0 BFADLO O=C(Cc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001249884573 967125820 /nfs/dbraw/zinc/12/58/20/967125820.db2.gz SGSUNSMXDBEVQP-UHFFFAOYSA-N 1 2 236.274 2.760 20 0 BFADLO COc1cc[nH+]cc1CC(=O)c1ccc(C)cc1 ZINC001249907876 967140801 /nfs/dbraw/zinc/14/08/01/967140801.db2.gz GWLUMVYXNGNONE-UHFFFAOYSA-N 1 2 241.290 2.824 20 0 BFADLO Cc1[nH+]cc(CCOc2ccccc2)cc1N ZINC001249934990 967174114 /nfs/dbraw/zinc/17/41/14/967174114.db2.gz AGGTWDICGKCFHI-UHFFFAOYSA-N 1 2 228.295 2.594 20 0 BFADLO CCCn1cncc1C[N@H+](C)CCC(F)(F)F ZINC001204898060 967226250 /nfs/dbraw/zinc/22/62/50/967226250.db2.gz CUSSNDVEJQXYJE-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CCCn1cncc1C[N@@H+](C)CCC(F)(F)F ZINC001204898060 967226258 /nfs/dbraw/zinc/22/62/58/967226258.db2.gz CUSSNDVEJQXYJE-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO Cc1[nH+]cc(Cc2cccc(F)c2)cc1N ZINC001249990466 967237631 /nfs/dbraw/zinc/23/76/31/967237631.db2.gz UWHBYGLSJDPWCJ-UHFFFAOYSA-N 1 2 216.259 2.702 20 0 BFADLO COc1cc(Nc2c(O)cccc2F)[nH+]cc1C ZINC001249992836 967244140 /nfs/dbraw/zinc/24/41/40/967244140.db2.gz JPOQSHQHFNPIJB-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Clc1cnncc1Nc1ccn2cc[nH+]c2c1 ZINC001204959674 967260918 /nfs/dbraw/zinc/26/09/18/967260918.db2.gz TVOUFBYPXUNGPJ-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO c1cc2cc(Nc3ccn4cc[nH+]c4c3)ccn2n1 ZINC001204966843 967264915 /nfs/dbraw/zinc/26/49/15/967264915.db2.gz ZNJZKXNTTHFSTM-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Oc1c(F)cccc1Nc1ccn2cc[nH+]c2c1 ZINC001204983366 967274810 /nfs/dbraw/zinc/27/48/10/967274810.db2.gz UBEBHAMRTKHHBN-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO COc1cc(Cl)cc(-c2c[nH+]cn2C)c1 ZINC001205129436 967378984 /nfs/dbraw/zinc/37/89/84/967378984.db2.gz GEFPVQVAPKLVFG-UHFFFAOYSA-N 1 2 222.675 2.749 20 0 BFADLO c1cn2cc(-c3ccc4ncncc4c3)ccc2[nH+]1 ZINC001240219181 967427192 /nfs/dbraw/zinc/42/71/92/967427192.db2.gz DMFNWLGMWRTMFF-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO FCCCCc1ccc(N2CCCC2)[nH+]c1 ZINC001250259264 967559823 /nfs/dbraw/zinc/55/98/23/967559823.db2.gz FXXBWHJVPIIGFA-UHFFFAOYSA-N 1 2 222.307 2.974 20 0 BFADLO COc1cc(Nc2cccnc2C)cc(C)[nH+]1 ZINC001205354979 967574625 /nfs/dbraw/zinc/57/46/25/967574625.db2.gz PABADMMOZKQEAZ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CC(C)Oc1cccc(CCn2cc[nH+]c2)c1 ZINC001250315446 967680591 /nfs/dbraw/zinc/68/05/91/967680591.db2.gz MAGALZGJQNYSRR-UHFFFAOYSA-N 1 2 230.311 2.913 20 0 BFADLO CCc1cccc(CCn2cc[nH+]c2)c1 ZINC001250316333 967681301 /nfs/dbraw/zinc/68/13/01/967681301.db2.gz JHYCXXQDTNOBMA-UHFFFAOYSA-N 1 2 200.285 2.688 20 0 BFADLO CCCOc1ccccc1CCn1cc[nH+]c1 ZINC001250318628 967689323 /nfs/dbraw/zinc/68/93/23/967689323.db2.gz HIVZOCRTXGVZJF-UHFFFAOYSA-N 1 2 230.311 2.915 20 0 BFADLO CCOc1cc(C)cc(F)c1CCn1cc[nH+]c1 ZINC001250319341 967695350 /nfs/dbraw/zinc/69/53/50/967695350.db2.gz CFCMRXZVUMPPTM-UHFFFAOYSA-N 1 2 248.301 2.972 20 0 BFADLO CCOc1c(F)cccc1CCn1cc[nH+]c1 ZINC001250320126 967696093 /nfs/dbraw/zinc/69/60/93/967696093.db2.gz YPFPWWPMYJLSBX-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO CC(C)c1cc(CCn2cc[nH+]c2)ccc1N ZINC001250320513 967698020 /nfs/dbraw/zinc/69/80/20/967698020.db2.gz NLKDFGNYDLVUGV-UHFFFAOYSA-N 1 2 229.327 2.831 20 0 BFADLO c1cn(Cc2ccc(Cc3ccccn3)cc2)c[nH+]1 ZINC001250322004 967699915 /nfs/dbraw/zinc/69/99/15/967699915.db2.gz VUFOHPUFECPXQR-UHFFFAOYSA-N 1 2 249.317 2.917 20 0 BFADLO c1[nH+]cn(Cc2ccccc2)c1Cc1ccccn1 ZINC001250324135 967702146 /nfs/dbraw/zinc/70/21/46/967702146.db2.gz WAAUPIZFIHHZFL-UHFFFAOYSA-N 1 2 249.317 2.917 20 0 BFADLO CN(C)c1ccc(NC(C2CC2)C2CC2)[nH+]c1 ZINC001168745122 967720213 /nfs/dbraw/zinc/72/02/13/967720213.db2.gz YQRQRWMGGLUWCV-UHFFFAOYSA-N 1 2 231.343 2.748 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001205617424 967729160 /nfs/dbraw/zinc/72/91/60/967729160.db2.gz XNPDDUOVXSPXLP-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001205617424 967729173 /nfs/dbraw/zinc/72/91/73/967729173.db2.gz XNPDDUOVXSPXLP-LBPRGKRZSA-N 1 2 249.329 2.935 20 0 BFADLO CC[N@H+](Cc1cnoc1)Cc1ccccc1F ZINC001205704029 967788603 /nfs/dbraw/zinc/78/86/03/967788603.db2.gz PXQHSKQMIXIKFH-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1cnoc1)Cc1ccccc1F ZINC001205704029 967788614 /nfs/dbraw/zinc/78/86/14/967788614.db2.gz PXQHSKQMIXIKFH-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO Cc1c[nH+]cc(CC2CCOCC2)c1C ZINC001250395949 967812312 /nfs/dbraw/zinc/81/23/12/967812312.db2.gz RFQGDQCOQHQXOD-UHFFFAOYSA-N 1 2 205.301 2.668 20 0 BFADLO Cc1cccnc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001205770554 967816605 /nfs/dbraw/zinc/81/66/05/967816605.db2.gz MDMVLPFMDOUMJX-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccnc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001205770554 967816608 /nfs/dbraw/zinc/81/66/08/967816608.db2.gz MDMVLPFMDOUMJX-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1[nH]c2ccc(CCOC(C)C)cc2[nH+]1 ZINC001250408191 967817023 /nfs/dbraw/zinc/81/70/23/967817023.db2.gz YAVPPTWLRWCOOM-UHFFFAOYSA-N 1 2 218.300 2.839 20 0 BFADLO CC(C)(C)c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250415662 967821939 /nfs/dbraw/zinc/82/19/39/967821939.db2.gz FLYAGJWFEHQLCH-UHFFFAOYSA-N 1 2 216.284 2.795 20 0 BFADLO Cc1c[nH+]c(C)c(Cc2cccc(C)n2)c1 ZINC001250424540 967835732 /nfs/dbraw/zinc/83/57/32/967835732.db2.gz NYEVIVHTSXFSHI-UHFFFAOYSA-N 1 2 212.296 2.993 20 0 BFADLO CCOc1ccc2[nH+]c(C)n(CC)c2c1 ZINC001250424861 967838025 /nfs/dbraw/zinc/83/80/25/967838025.db2.gz RGMLUYCSRXHTNM-UHFFFAOYSA-N 1 2 204.273 2.763 20 0 BFADLO CCc1[nH+]c2ccc(OC)cc2n1CC ZINC001250425938 967839367 /nfs/dbraw/zinc/83/93/67/967839367.db2.gz WUNZQSBFUHKRNM-UHFFFAOYSA-N 1 2 204.273 2.627 20 0 BFADLO COCOc1ccc2[nH]c(CC(C)C)[nH+]c2c1 ZINC001250425910 967839985 /nfs/dbraw/zinc/83/99/85/967839985.db2.gz UXFSBVQNDJDTGT-UHFFFAOYSA-N 1 2 234.299 2.744 20 0 BFADLO Cc1c2[nH+]c(CC3CCOCC3)[nH]c2ccc1F ZINC001250433416 967851574 /nfs/dbraw/zinc/85/15/74/967851574.db2.gz MOVWZRJVBLPZDP-UHFFFAOYSA-N 1 2 248.301 2.980 20 0 BFADLO CN(C)c1ccc(N[C@@H]2CCCC[C@H]2F)[nH+]c1 ZINC001162512987 967852179 /nfs/dbraw/zinc/85/21/79/967852179.db2.gz RGHWRRLQHCDRLI-VXGBXAGGSA-N 1 2 237.322 2.840 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cnc(C)nc2)c1 ZINC001205864654 967863585 /nfs/dbraw/zinc/86/35/85/967863585.db2.gz SZPFDNIEZQDLOD-UHFFFAOYSA-N 1 2 241.294 2.814 20 0 BFADLO CCc1cc(N2C[C@@H](C)C[C@H]2C)nc(CC)[nH+]1 ZINC001162596718 967870035 /nfs/dbraw/zinc/87/00/35/967870035.db2.gz ACRSYLBPRTZNPB-WDEREUQCSA-N 1 2 233.359 2.836 20 0 BFADLO C[NH+](C)Cc1cncc(Br)c1Cl ZINC001250458515 967885358 /nfs/dbraw/zinc/88/53/58/967885358.db2.gz OLOZBVGUSCLUFR-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO Cc1cccnc1-c1c[nH+]c(N(C)C)cc1C ZINC001250470283 967893029 /nfs/dbraw/zinc/89/30/29/967893029.db2.gz LKSHNVKIFKOVKS-UHFFFAOYSA-N 1 2 227.311 2.826 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CCCCC3)co1 ZINC001206080611 968050048 /nfs/dbraw/zinc/05/00/48/968050048.db2.gz CQSNLECCBFQNTR-UHFFFAOYSA-N 1 2 220.316 2.749 20 0 BFADLO c1c2c(cc3[nH+]c([C@@H]4CCCOC4)[nH]c13)CCC2 ZINC001250550263 968057853 /nfs/dbraw/zinc/05/78/53/968057853.db2.gz SVLCNOAUYWZIKZ-GFCCVEGCSA-N 1 2 242.322 2.946 20 0 BFADLO CSCCCNc1c[nH+]c(C)c(C)c1 ZINC001163874779 968126193 /nfs/dbraw/zinc/12/61/93/968126193.db2.gz LIVFMQPMEBFIQB-UHFFFAOYSA-N 1 2 210.346 2.863 20 0 BFADLO COCCc1[nH+]c2cccc(C)c2n1C1CC1 ZINC001250594457 968128731 /nfs/dbraw/zinc/12/87/31/968128731.db2.gz FWOPYCGLLAQVKE-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO COCCCc1[nH]c2cc(C)c(F)cc2[nH+]1 ZINC001250602045 968142278 /nfs/dbraw/zinc/14/22/78/968142278.db2.gz DFORTYBHCQKFLE-UHFFFAOYSA-N 1 2 222.263 2.589 20 0 BFADLO COc1ccc2c(c1)[nH+]c([C@H]1C[C@@H]1C)n2C ZINC001250616305 968162921 /nfs/dbraw/zinc/16/29/21/968162921.db2.gz ZRLNCKPMDGMSFN-WPRPVWTQSA-N 1 2 216.284 2.705 20 0 BFADLO COCOc1ccc2[nH]c([C@H]3C[C@H]3C)[nH+]c2c1 ZINC001250615700 968163122 /nfs/dbraw/zinc/16/31/22/968163122.db2.gz QRVKGBQMVIZAER-SCZZXKLOSA-N 1 2 232.283 2.669 20 0 BFADLO Nc1ccccc1Nc1cccn2cc[nH+]c12 ZINC001206315954 968220735 /nfs/dbraw/zinc/22/07/35/968220735.db2.gz YKHKHLAKUAWOSA-UHFFFAOYSA-N 1 2 224.267 2.660 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2ccc[nH]c2=O)cc1 ZINC001206480730 968333171 /nfs/dbraw/zinc/33/31/71/968333171.db2.gz COMJDDJWEPGBNA-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2ccc[nH]c2=O)cc1 ZINC001206480730 968333175 /nfs/dbraw/zinc/33/31/75/968333175.db2.gz COMJDDJWEPGBNA-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO Cc1nc(N2CCC[C@@H](C)[C@H]2C)c2c([nH+]1)CCC2 ZINC001166609409 968349742 /nfs/dbraw/zinc/34/97/42/968349742.db2.gz AKPYSFBGHAZEET-GHMZBOCLSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1cccc2c1cc[nH+]c2N1CC2(CCO2)C1 ZINC001166941253 968400030 /nfs/dbraw/zinc/40/00/30/968400030.db2.gz LPIFIDRXXCFHNL-UHFFFAOYSA-N 1 2 240.306 2.522 20 0 BFADLO Cc1cc(C)c(NC[C@H](O)c2ccccc2)c[nH+]1 ZINC001251980584 968424652 /nfs/dbraw/zinc/42/46/52/968424652.db2.gz USRHIWAAZFOAOL-HNNXBMFYSA-N 1 2 242.322 2.844 20 0 BFADLO CNc1ccc(Nc2cccs2)c[nH+]1 ZINC001203449051 968434627 /nfs/dbraw/zinc/43/46/27/968434627.db2.gz XNIFHGDWYWOCAB-UHFFFAOYSA-N 1 2 205.286 2.928 20 0 BFADLO Cc1cc[nH+]c(Nc2cc(O)cc(F)c2)c1 ZINC001206754976 968458538 /nfs/dbraw/zinc/45/85/38/968458538.db2.gz UHAPXOFZKXQTDF-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO CCCC[C@@H](O)CNc1cccc2[nH+]c(C)cn21 ZINC001252076792 968494955 /nfs/dbraw/zinc/49/49/55/968494955.db2.gz BZADFGCAMJBXKA-GFCCVEGCSA-N 1 2 247.342 2.606 20 0 BFADLO F[C@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207049658 968576835 /nfs/dbraw/zinc/57/68/35/968576835.db2.gz ZMOJQCDHQCKMLX-LBPRGKRZSA-N 1 2 247.317 2.658 20 0 BFADLO F[C@@H]1CCCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207049657 968581054 /nfs/dbraw/zinc/58/10/54/968581054.db2.gz ZMOJQCDHQCKMLX-GFCCVEGCSA-N 1 2 247.317 2.658 20 0 BFADLO c1[nH+]c(CN2CCC23CCCC3)n2ccccc12 ZINC001207049572 968582019 /nfs/dbraw/zinc/58/20/19/968582019.db2.gz XREMAFSBGPJYSW-UHFFFAOYSA-N 1 2 241.338 2.853 20 0 BFADLO Cc1cccc2c(C)cc(NCC3COC3)[nH+]c12 ZINC001154631535 968615224 /nfs/dbraw/zinc/61/52/24/968615224.db2.gz AAAPVYQOGNPZFM-UHFFFAOYSA-N 1 2 242.322 2.910 20 0 BFADLO Oc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001240785934 968687854 /nfs/dbraw/zinc/68/78/54/968687854.db2.gz VJEZFCFDBDWKLV-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C[C@@H]1CC(=O)CC[N@H+]1CCCc1ccccc1F ZINC001207490051 968802774 /nfs/dbraw/zinc/80/27/74/968802774.db2.gz KLTRNQWHRSJTBE-GFCCVEGCSA-N 1 2 249.329 2.812 20 0 BFADLO C[C@@H]1CC(=O)CC[N@@H+]1CCCc1ccccc1F ZINC001207490051 968802769 /nfs/dbraw/zinc/80/27/69/968802769.db2.gz KLTRNQWHRSJTBE-GFCCVEGCSA-N 1 2 249.329 2.812 20 0 BFADLO CC(C)OC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC001252580517 968833192 /nfs/dbraw/zinc/83/31/92/968833192.db2.gz SOCWHLJMRLGARL-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC001252580517 968833194 /nfs/dbraw/zinc/83/31/94/968833194.db2.gz SOCWHLJMRLGARL-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1cnnc(Cl)c1NC(=[NH2+])C(C)(C)C ZINC001155181252 968919424 /nfs/dbraw/zinc/91/94/24/968919424.db2.gz MLJAAWWFLSOESM-UHFFFAOYSA-N 1 2 242.710 2.574 20 0 BFADLO COc1cc(F)c(F)cc1-c1cc[nH+]c(N)c1 ZINC001241163160 968942492 /nfs/dbraw/zinc/94/24/92/968942492.db2.gz PRFZKLSSYRAPAG-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO O=C1CCC[N@@H+](CCCC2CCCC2)C[C@@H]1F ZINC001208087513 968979615 /nfs/dbraw/zinc/97/96/15/968979615.db2.gz NMHAUKRFTNBDPO-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1CCC[N@H+](CCCC2CCCC2)C[C@@H]1F ZINC001208087513 968979620 /nfs/dbraw/zinc/97/96/20/968979620.db2.gz NMHAUKRFTNBDPO-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO F[C@@H]1C[NH+](CCCC2CCCC2)C[C@H]1F ZINC001208087361 968989991 /nfs/dbraw/zinc/98/99/91/968989991.db2.gz IRAJBCRBCUFIGF-VXGBXAGGSA-N 1 2 217.303 2.949 20 0 BFADLO Cn1ncc2c1C[N@H+](CCCC1CCCC1)C2 ZINC001208091776 968994254 /nfs/dbraw/zinc/99/42/54/968994254.db2.gz XOPFQOXJLHRVED-UHFFFAOYSA-N 1 2 233.359 2.706 20 0 BFADLO Cn1ncc2c1C[N@@H+](CCCC1CCCC1)C2 ZINC001208091776 968994262 /nfs/dbraw/zinc/99/42/62/968994262.db2.gz XOPFQOXJLHRVED-UHFFFAOYSA-N 1 2 233.359 2.706 20 0 BFADLO CC/C=C\CCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001208134794 969033424 /nfs/dbraw/zinc/03/34/24/969033424.db2.gz PCSFMODKAWAUCR-VSQXVHSFSA-N 1 2 247.329 2.682 20 0 BFADLO CC/C=C\CCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001208134794 969033428 /nfs/dbraw/zinc/03/34/28/969033428.db2.gz PCSFMODKAWAUCR-VSQXVHSFSA-N 1 2 247.329 2.682 20 0 BFADLO CC/C=C\CCC[N@@H+]1CC(F)(F)C[C@]1(C)CO ZINC001208134973 969036488 /nfs/dbraw/zinc/03/64/88/969036488.db2.gz VHIGTIHDMLFXDJ-QMAVJUDZSA-N 1 2 247.329 2.825 20 0 BFADLO CC/C=C\CCC[N@H+]1CC(F)(F)C[C@]1(C)CO ZINC001208134973 969036499 /nfs/dbraw/zinc/03/64/99/969036499.db2.gz VHIGTIHDMLFXDJ-QMAVJUDZSA-N 1 2 247.329 2.825 20 0 BFADLO Cc1ccc([C@@H](C)CC[NH+]2CCC(=O)CC2)o1 ZINC001208152611 969081750 /nfs/dbraw/zinc/08/17/50/969081750.db2.gz STKUIKKJWHUSQS-NSHDSACASA-N 1 2 235.327 2.747 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208161783 969090718 /nfs/dbraw/zinc/09/07/18/969090718.db2.gz ODAGKLBGJQGKCL-WCQYABFASA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208161783 969090731 /nfs/dbraw/zinc/09/07/31/969090731.db2.gz ODAGKLBGJQGKCL-WCQYABFASA-N 1 2 249.358 2.802 20 0 BFADLO COc1ccc(-c2[nH]cc[nH+]2)cc1SC ZINC001242019401 969174966 /nfs/dbraw/zinc/17/49/66/969174966.db2.gz VOXQCWAPFATTOM-UHFFFAOYSA-N 1 2 220.297 2.807 20 0 BFADLO CC(C)(CC[N@@H+]1CCC(=O)C1)c1ccccc1 ZINC001208667903 969189998 /nfs/dbraw/zinc/18/99/98/969189998.db2.gz OVTPLARJYJNHKA-UHFFFAOYSA-N 1 2 231.339 2.629 20 0 BFADLO CC(C)(CC[N@H+]1CCC(=O)C1)c1ccccc1 ZINC001208667903 969190001 /nfs/dbraw/zinc/19/00/01/969190001.db2.gz OVTPLARJYJNHKA-UHFFFAOYSA-N 1 2 231.339 2.629 20 0 BFADLO CSc1ccnc(-c2c[nH+]c(N)cc2C)c1F ZINC001242072214 969196285 /nfs/dbraw/zinc/19/62/85/969196285.db2.gz FUZVTAVUTHJLGA-UHFFFAOYSA-N 1 2 249.314 2.895 20 0 BFADLO CCCCC[C@@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253524775 969202800 /nfs/dbraw/zinc/20/28/00/969202800.db2.gz GEVIYMVOUHTHGN-CYBMUJFWSA-N 1 2 247.342 2.687 20 0 BFADLO c1ccc(CCCCNc2cccc[nH+]2)nc1 ZINC001168791568 969214165 /nfs/dbraw/zinc/21/41/65/969214165.db2.gz CGWGLHRSJINPDG-UHFFFAOYSA-N 1 2 227.311 2.911 20 0 BFADLO COc1ccc(-c2cccc3[nH+]ccn32)cc1O ZINC001242173868 969217359 /nfs/dbraw/zinc/21/73/59/969217359.db2.gz CQXFLUBOJVRZMC-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO COC(=O)c1[nH+]ccc(NCCC2CCC2)c1C ZINC001168889127 969246002 /nfs/dbraw/zinc/24/60/02/969246002.db2.gz CMJDESUCCVQZBX-UHFFFAOYSA-N 1 2 248.326 2.779 20 0 BFADLO CCC(=O)C(C)(C)C[N@H+](C)Cc1cscn1 ZINC001208920129 969304700 /nfs/dbraw/zinc/30/47/00/969304700.db2.gz IICXRDSQTKCMTG-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO CCC(=O)C(C)(C)C[N@@H+](C)Cc1cscn1 ZINC001208920129 969304708 /nfs/dbraw/zinc/30/47/08/969304708.db2.gz IICXRDSQTKCMTG-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO CCc1cncc(Nc2cc(OC)cc[nH+]2)c1 ZINC001209164940 969365835 /nfs/dbraw/zinc/36/58/35/969365835.db2.gz KPAFYNDMFWCPNB-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO O=C1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001209230385 969411122 /nfs/dbraw/zinc/41/11/22/969411122.db2.gz VHULIGZZZNUUIN-UHFFFAOYSA-N 1 2 231.339 2.674 20 0 BFADLO O=C1CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001209230385 969411124 /nfs/dbraw/zinc/41/11/24/969411124.db2.gz VHULIGZZZNUUIN-UHFFFAOYSA-N 1 2 231.339 2.674 20 0 BFADLO Cc1cc(-c2cccc(N)[nH+]2)ccc1N(C)C ZINC001242237475 969574303 /nfs/dbraw/zinc/57/43/03/969574303.db2.gz GYZFWCFWUZDRRM-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Cc1cnc(Nc2ccc3[nH]c[nH+]c3c2)o1 ZINC001209841604 969657470 /nfs/dbraw/zinc/65/74/70/969657470.db2.gz XIUZUMXKPBWQSE-UHFFFAOYSA-N 1 2 214.228 2.603 20 0 BFADLO C[C@@H](CNc1cc[nH+]cc1F)c1ccc(O)cc1 ZINC001169539948 969739010 /nfs/dbraw/zinc/73/90/10/969739010.db2.gz QWFNWYGWDODTNF-JTQLQIEISA-N 1 2 246.285 2.564 20 0 BFADLO CCOC(=O)C1(CNc2c[nH+]ccc2C)CCC1 ZINC001169555480 969747938 /nfs/dbraw/zinc/74/79/38/969747938.db2.gz BHLORHNIAGONFT-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO COc1cc(Nc2cccc(F)c2O)cc(C)[nH+]1 ZINC001210195543 969827713 /nfs/dbraw/zinc/82/77/13/969827713.db2.gz MSTSVCBAGKNQFN-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO CCC[C@H](OCC[NH+]1CCOCC1)[C@H](C)CC ZINC001210209267 969832927 /nfs/dbraw/zinc/83/29/27/969832927.db2.gz ZBMYXRUHAOWZFV-KGLIPLIRSA-N 1 2 243.391 2.550 20 0 BFADLO Oc1cccnc1CNc1ccc(C2CC2)c[nH+]1 ZINC001169733478 969837329 /nfs/dbraw/zinc/83/73/29/969837329.db2.gz VCWICSFTPKOSSJ-UHFFFAOYSA-N 1 2 241.294 2.672 20 0 BFADLO COc1cccc2[nH+]c(NC[C@H](C)OC)ccc21 ZINC001169772012 969844870 /nfs/dbraw/zinc/84/48/70/969844870.db2.gz BZRNOPFVHQIFMA-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO Cc1cc(C)c(Nc2cnc(C)c(N)c2)c[nH+]1 ZINC001210287171 969853631 /nfs/dbraw/zinc/85/36/31/969853631.db2.gz NCHIAJGYELXVSP-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1[nH+]cc(Nc2nccnc2C(C)C)cc1N ZINC001210287835 969855711 /nfs/dbraw/zinc/85/57/11/969855711.db2.gz BXAFGNDYHMNXSN-UHFFFAOYSA-N 1 2 243.314 2.629 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3c(c2)OCC3)cc1N ZINC001210289395 969856089 /nfs/dbraw/zinc/85/60/89/969856089.db2.gz JMZKWRIZBKQRIT-UHFFFAOYSA-N 1 2 241.294 2.651 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(F)cc2F)cc1N ZINC001210288368 969856180 /nfs/dbraw/zinc/85/61/80/969856180.db2.gz ONDFBXYTABOKNB-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CC(=O)c1ccc(Nc2c[nH+]c(C)c(N)c2)cc1 ZINC001210288337 969856623 /nfs/dbraw/zinc/85/66/23/969856623.db2.gz MWCKOUFHGFAFJM-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO Cc1cnc(Nc2c[nH+]c(C)c(N)c2)c(F)c1 ZINC001210289238 969856897 /nfs/dbraw/zinc/85/68/97/969856897.db2.gz YUPUTKKHHWNMSW-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1CO ZINC001210290984 969858808 /nfs/dbraw/zinc/85/88/08/969858808.db2.gz IGQUOPYXYAMVTN-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1cc(N)c(F)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210292032 969858937 /nfs/dbraw/zinc/85/89/37/969858937.db2.gz YWSIXECLNMAXOU-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO Cc1[nH+]cc(Nc2ccccc2[C@H](C)O)cc1N ZINC001210291943 969860323 /nfs/dbraw/zinc/86/03/23/969860323.db2.gz UXYDYCTVALLEKA-JTQLQIEISA-N 1 2 243.310 2.769 20 0 BFADLO Cc1[nH+]cc(Nc2cc(O)ccc2F)cc1N ZINC001210290849 969860567 /nfs/dbraw/zinc/86/05/67/969860567.db2.gz RCOBRRIBLVOZLD-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO COc1ncc(Nc2cc(C)cc[nH+]2)cc1C ZINC001210313754 969862194 /nfs/dbraw/zinc/86/21/94/969862194.db2.gz KQWUKIBRDWIQAZ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CC(C)n1ccc(Nc2cccc3[nH+]ccn32)n1 ZINC001210336819 969870509 /nfs/dbraw/zinc/87/05/09/969870509.db2.gz SZNZVQICOVXZGZ-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO FC(F)(F)C(F)(F)C[NH2+]C1CCSCC1 ZINC001255080357 969873821 /nfs/dbraw/zinc/87/38/21/969873821.db2.gz IPYIJIGILXEHMZ-UHFFFAOYSA-N 1 2 249.248 2.669 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cncc(N)c1 ZINC001210436154 969887505 /nfs/dbraw/zinc/88/75/05/969887505.db2.gz WKIXGLRCIFDTKK-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO CCc1ncccc1Nc1[nH+]cc(C)cc1N ZINC001210466071 969895910 /nfs/dbraw/zinc/89/59/10/969895910.db2.gz YYBZGQOHDSPZTC-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO CCc1ncccc1Nc1c[nH+]ccc1OC ZINC001210465541 969895934 /nfs/dbraw/zinc/89/59/34/969895934.db2.gz SOYBFLGEXQTSCX-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO Cc1cc(Cl)c(C)c(N[C@H](C)CCO)[nH+]1 ZINC001156446839 969896407 /nfs/dbraw/zinc/89/64/07/969896407.db2.gz LXVJLHDXSHBACL-SSDOTTSWSA-N 1 2 228.723 2.535 20 0 BFADLO Cc1cc[nH+]c(Nc2ccnn2C(C)C)c1 ZINC001210512271 969918590 /nfs/dbraw/zinc/91/85/90/969918590.db2.gz OAWNBRLNJIAYCH-UHFFFAOYSA-N 1 2 216.288 2.911 20 0 BFADLO CC(C)n1nccc1Nc1ccn2cc[nH+]c2c1 ZINC001210519543 969925512 /nfs/dbraw/zinc/92/55/12/969925512.db2.gz VGEADZWLBGNORB-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccn(C(C)C)n1 ZINC001242454856 969949851 /nfs/dbraw/zinc/94/98/51/969949851.db2.gz PYOFTIQISDLDIU-UHFFFAOYSA-N 1 2 244.342 2.900 20 0 BFADLO Cc1cc[nH+]c(C)c1Nc1c[nH]c(=O)c(F)c1 ZINC001210600177 969974377 /nfs/dbraw/zinc/97/43/77/969974377.db2.gz XWYNOWIENFLQLI-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc([C@@H](C)O)cc1 ZINC001210641480 969989836 /nfs/dbraw/zinc/98/98/36/969989836.db2.gz UFACFTGMWLDZBJ-SNVBAGLBSA-N 1 2 244.294 2.893 20 0 BFADLO Cc1oncc1-c1ccc2[nH+]ccn2c1C ZINC001242603859 970012828 /nfs/dbraw/zinc/01/28/28/970012828.db2.gz CAKOZFBSSRNBAY-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO COc1cc(Nc2ccc(F)nc2)cc(C)[nH+]1 ZINC001210774777 970024584 /nfs/dbraw/zinc/02/45/84/970024584.db2.gz ALEBJUYZQQCKNJ-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CCOC(=O)C1([NH2+]C2CCC(C)(C)CC2)CC1 ZINC001255297667 970063518 /nfs/dbraw/zinc/06/35/18/970063518.db2.gz SUDUGVMIALTUIN-UHFFFAOYSA-N 1 2 239.359 2.641 20 0 BFADLO CC1(C)CCC([N@@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001255307201 970071009 /nfs/dbraw/zinc/07/10/09/970071009.db2.gz WWSUKUVAUXXDFN-LLVKDONJSA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC([N@H+]2CCC(=O)[C@H](F)C2)CC1 ZINC001255307201 970071023 /nfs/dbraw/zinc/07/10/23/970071023.db2.gz WWSUKUVAUXXDFN-LLVKDONJSA-N 1 2 227.323 2.568 20 0 BFADLO c1csc(Nc2cccc3[nH+]ccn32)n1 ZINC001210987594 970099562 /nfs/dbraw/zinc/09/95/62/970099562.db2.gz YSYCKAFMBNWLDP-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO Cc1c[nH+]c(N2CCC[C@@H]3C[C@@H]32)nc1NC(C)C ZINC001157133676 970100011 /nfs/dbraw/zinc/10/00/11/970100011.db2.gz WIQLSFKMLDWYMN-NEPJUHHUSA-N 1 2 246.358 2.594 20 0 BFADLO c1csc(Nc2cccn3cc[nH+]c23)n1 ZINC001210989672 970103476 /nfs/dbraw/zinc/10/34/76/970103476.db2.gz NNJZLOZDOYUNMD-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO Cc1ccc(Nc2ccc3oc(=O)[nH]c3c2)[nH+]c1 ZINC001211012997 970117239 /nfs/dbraw/zinc/11/72/39/970117239.db2.gz VPQNGFAIPUNKMY-UHFFFAOYSA-N 1 2 241.250 2.980 20 0 BFADLO CCOC(=O)/C=C/c1ccc[nH+]c1N[C@H](C)CC ZINC001157230428 970158772 /nfs/dbraw/zinc/15/87/72/970158772.db2.gz NJEOZWZHBKGTSH-ANYFNZRUSA-N 1 2 248.326 2.868 20 0 BFADLO Cc1ccc[nH+]c1Nc1cccc(CO)c1C ZINC001211160783 970161890 /nfs/dbraw/zinc/16/18/90/970161890.db2.gz IJTQWIWEHNVUSZ-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO COc1cc[nH+]cc1Nc1ccoc1C ZINC001211236994 970179135 /nfs/dbraw/zinc/17/91/35/970179135.db2.gz HNDUCKRJQHECMO-UHFFFAOYSA-N 1 2 204.229 2.735 20 0 BFADLO Cc1c(CO)cccc1-c1ccc2[nH+]ccn2c1 ZINC001243015672 970194556 /nfs/dbraw/zinc/19/45/56/970194556.db2.gz SAZJHPIVHIOANY-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cc(-c2cnccc2Cl)c[nH+]c1N ZINC001243045740 970203118 /nfs/dbraw/zinc/20/31/18/970203118.db2.gz CVLDEZMWOJMYCE-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO Cc1c[nH]c2ccc(-c3c[nH+]cn3C)cc12 ZINC001243068788 970263011 /nfs/dbraw/zinc/26/30/11/970263011.db2.gz GRMVLQYAWCLSBW-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO COc1cc2ncccc2c(-c2c[nH+]cn2C)c1 ZINC001243071692 970284848 /nfs/dbraw/zinc/28/48/48/970284848.db2.gz YBSYDQNMJMBAEE-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO Cc1cc(C)c(Nc2noc3cnccc32)c[nH+]1 ZINC001213508607 970332313 /nfs/dbraw/zinc/33/23/13/970332313.db2.gz XGLYFEVYKGSWLS-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1cc(Nc2c[nH+]cc(C)c2C)on1 ZINC001213520993 970336818 /nfs/dbraw/zinc/33/68/18/970336818.db2.gz NYGIBWKYEDACLM-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1c[nH+]cc(Nc2cccc(F)n2)c1C ZINC001213523658 970340169 /nfs/dbraw/zinc/34/01/69/970340169.db2.gz YYLNLZNCPIJTCP-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO COc1ncc(Nc2c[nH+]cc(C)c2C)c(C)n1 ZINC001213527434 970346455 /nfs/dbraw/zinc/34/64/55/970346455.db2.gz KZONFLCIJWAHKQ-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1cc(Nc2c[nH+]cc(C)c2C)c(F)cn1 ZINC001213527626 970348045 /nfs/dbraw/zinc/34/80/45/970348045.db2.gz WKSLJEZQRDSYCR-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO COc1cc(Nc2cc(F)ccc2N)cc(C)[nH+]1 ZINC001214199874 970460725 /nfs/dbraw/zinc/46/07/25/970460725.db2.gz ANQURJRHNKJTSR-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)c(O)c(C)c1 ZINC001243307182 970477022 /nfs/dbraw/zinc/47/70/22/970477022.db2.gz NSNOXXKNNRANCQ-REZHQCRGSA-N 1 2 203.285 2.885 20 0 BFADLO CCCCCc1nnc([C@H]2CC3CC[NH+]2CC3)o1 ZINC001256058875 970626785 /nfs/dbraw/zinc/62/67/85/970626785.db2.gz MGUSSNGYTFYMPV-GFCCVEGCSA-N 1 2 249.358 2.959 20 0 BFADLO CCCCCc1nnc([C@@H]2CC3CC[NH+]2CC3)o1 ZINC001256058876 970627624 /nfs/dbraw/zinc/62/76/24/970627624.db2.gz MGUSSNGYTFYMPV-LBPRGKRZSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1c(C)c(Nc2[nH+]cccc2N)ccc1CO ZINC001215234047 970678410 /nfs/dbraw/zinc/67/84/10/970678410.db2.gz ZONNKOANIJRTSX-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@@H](C)C1 ZINC000401822128 970732210 /nfs/dbraw/zinc/73/22/10/970732210.db2.gz FCQAUCNEEKEQOQ-RYUDHWBXSA-N 1 2 234.343 2.650 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc([NH+]3CCCC3)cc2)CO1 ZINC000401823126 970732754 /nfs/dbraw/zinc/73/27/54/970732754.db2.gz LBXPWAAOSOLYSM-OCCSQVGLSA-N 1 2 246.354 2.876 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc([NH+]3CCCC3)cc2)CO1 ZINC000401823124 970734202 /nfs/dbraw/zinc/73/42/02/970734202.db2.gz LBXPWAAOSOLYSM-GXTWGEPZSA-N 1 2 246.354 2.876 20 0 BFADLO CCCCCCc1nnc(CCn2cc[nH+]c2)o1 ZINC001256340593 970744634 /nfs/dbraw/zinc/74/46/34/970744634.db2.gz MKURMLASVWDIBW-UHFFFAOYSA-N 1 2 248.330 2.632 20 0 BFADLO CCCCCCc1nnc(Cc2cn(C)c[nH+]2)o1 ZINC001256339655 970745159 /nfs/dbraw/zinc/74/51/59/970745159.db2.gz DLSDEUKSXQWKEX-UHFFFAOYSA-N 1 2 248.330 2.517 20 0 BFADLO C[C@@H]1CC[C@@H](c2nnc(C[NH+](C)C)o2)C[C@@H]1C ZINC001327353994 972558985 /nfs/dbraw/zinc/55/89/85/972558985.db2.gz OBPUERRLIQXBSW-OUAUKWLOSA-N 1 2 237.347 2.671 20 0 BFADLO C[C@H]1CCC[C@H](OCc2c[nH+]cn2C)C1 ZINC001222595190 972592968 /nfs/dbraw/zinc/59/29/68/972592968.db2.gz SEPGUEBKVLJGBT-JQWIXIFHSA-N 1 2 208.305 2.515 20 0 BFADLO C[C@@H](OCc1c[nH+]cn1C)c1ccccc1F ZINC001222594556 972594187 /nfs/dbraw/zinc/59/41/87/972594187.db2.gz GHAVGCNMDPAADD-SNVBAGLBSA-N 1 2 234.274 2.837 20 0 BFADLO CCC[C@H](OCc1c[nH+]cn1C)C(C)C ZINC001222595366 972597159 /nfs/dbraw/zinc/59/71/59/972597159.db2.gz XXPAWIUTBBVCMK-LBPRGKRZSA-N 1 2 210.321 2.761 20 0 BFADLO C[C@@H]1CCC[C@@H](OCc2c[nH+]cn2C)[C@@H]1C ZINC001222600594 972600343 /nfs/dbraw/zinc/60/03/43/972600343.db2.gz RIUKGKWSQSPOOB-NQBHXWOUSA-N 1 2 222.332 2.761 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@H]2C=CCCCCC2)no1 ZINC001327811731 972740787 /nfs/dbraw/zinc/74/07/87/972740787.db2.gz QMLQJHGZDDKOMR-JQWIXIFHSA-N 1 2 235.331 2.918 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144541150 972860008 /nfs/dbraw/zinc/86/00/08/972860008.db2.gz CKOFICDNJZRHPU-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1c(F)cc(O)cc1F ZINC001144541150 972860012 /nfs/dbraw/zinc/86/00/12/972860012.db2.gz CKOFICDNJZRHPU-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1c(F)cc(O)cc1F ZINC001144541151 972862694 /nfs/dbraw/zinc/86/26/94/972862694.db2.gz CKOFICDNJZRHPU-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144541141 972863354 /nfs/dbraw/zinc/86/33/54/972863354.db2.gz CAGFUEJYYHMWKO-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144541141 972863357 /nfs/dbraw/zinc/86/33/57/972863357.db2.gz CAGFUEJYYHMWKO-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@]1(CF)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144615187 972891609 /nfs/dbraw/zinc/89/16/09/972891609.db2.gz GHOBMEWXGCTXBQ-AWEZNQCLSA-N 1 2 247.317 2.516 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647034 972909032 /nfs/dbraw/zinc/90/90/32/972909032.db2.gz WEVZMHQXYISLHY-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647034 972909049 /nfs/dbraw/zinc/90/90/49/972909049.db2.gz WEVZMHQXYISLHY-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1F ZINC001144658265 972925816 /nfs/dbraw/zinc/92/58/16/972925816.db2.gz UUDROMMMTCSZME-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(F)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1F ZINC001144658265 972925832 /nfs/dbraw/zinc/92/58/32/972925832.db2.gz UUDROMMMTCSZME-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO C[NH+](C)Cc1nnc(CC2CCCCCC2)o1 ZINC001328432842 973050625 /nfs/dbraw/zinc/05/06/25/973050625.db2.gz IKGGCJJYALGZON-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1cc(CO[C@H]2CCO[C@H](C)C2)cc(C)[nH+]1 ZINC001223424161 973066458 /nfs/dbraw/zinc/06/64/58/973066458.db2.gz ISIGCYFUZKOWAK-OCCSQVGLSA-N 1 2 235.327 2.783 20 0 BFADLO C[NH+]1CC(OCc2csc3ccccc23)C1 ZINC001223975428 973363162 /nfs/dbraw/zinc/36/31/62/973363162.db2.gz AWNOGQKBNPDPKG-UHFFFAOYSA-N 1 2 233.336 2.732 20 0 BFADLO C[NH+](C)Cc1nnc([C@@H]2CCCC[C@@H]2C2CC2)o1 ZINC001329146274 973512679 /nfs/dbraw/zinc/51/26/79/973512679.db2.gz HETWTVVAPPELGO-VXGBXAGGSA-N 1 2 249.358 2.815 20 0 BFADLO CC1(Nc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC001329175366 973540211 /nfs/dbraw/zinc/54/02/11/973540211.db2.gz PYIONJYMGAUMDZ-UHFFFAOYSA-N 1 2 238.294 2.847 20 0 BFADLO Cc1ccc(N[C@H](C)c2cncnc2C)c(C)[nH+]1 ZINC001329937748 974041599 /nfs/dbraw/zinc/04/15/99/974041599.db2.gz CHCPYAQSFNNCHR-LLVKDONJSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cn2c(n1)[C@@H](Oc1cc[nH+]cc1)CCC2 ZINC001225296188 974368618 /nfs/dbraw/zinc/36/86/18/974368618.db2.gz QEBXZBFKUJMJBY-LBPRGKRZSA-N 1 2 229.283 2.500 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1ncccc1F ZINC001225293938 974370952 /nfs/dbraw/zinc/37/09/52/974370952.db2.gz CHSUKMZREVQIEA-VIFPVBQESA-N 1 2 218.231 2.756 20 0 BFADLO CC1(C)C(=O)CCC[C@@H]1Oc1cc[nH+]cc1 ZINC001225296547 974372784 /nfs/dbraw/zinc/37/27/84/974372784.db2.gz XLLZVOVUZKGORS-LBPRGKRZSA-N 1 2 219.284 2.608 20 0 BFADLO CCc1cc(OC2C[NH+](C)C2)ccc1Cl ZINC001225319470 974393833 /nfs/dbraw/zinc/39/38/33/974393833.db2.gz SJHCKDDLRSOHTJ-UHFFFAOYSA-N 1 2 225.719 2.595 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](O)C(F)(F)C2)C[C@H]1C ZINC001172375118 974576731 /nfs/dbraw/zinc/57/67/31/974576731.db2.gz BYMKTZDCOKYYOR-WYUUTHIRSA-N 1 2 247.329 2.513 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@H](O)C(F)(F)C2)C[C@H]1C ZINC001172375118 974576738 /nfs/dbraw/zinc/57/67/38/974576738.db2.gz BYMKTZDCOKYYOR-WYUUTHIRSA-N 1 2 247.329 2.513 20 0 BFADLO CC(C)c1noc(C[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001331236073 974653445 /nfs/dbraw/zinc/65/34/45/974653445.db2.gz IDRODCZSIWWODV-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1noc(C[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001331236073 974653446 /nfs/dbraw/zinc/65/34/46/974653446.db2.gz IDRODCZSIWWODV-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1ccc(OC2C[NH+](C(C)C)C2)c(F)c1F ZINC001225943251 974739881 /nfs/dbraw/zinc/73/98/81/974739881.db2.gz UUUNNGHIKLWNMU-UHFFFAOYSA-N 1 2 241.281 2.745 20 0 BFADLO O=C1CCC[N@@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565282 974873955 /nfs/dbraw/zinc/87/39/55/974873955.db2.gz VLLNRSNAYWIKIQ-HUUCEWRRSA-N 1 2 243.350 2.988 20 0 BFADLO O=C1CCC[N@H+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565282 974873957 /nfs/dbraw/zinc/87/39/57/974873957.db2.gz VLLNRSNAYWIKIQ-HUUCEWRRSA-N 1 2 243.350 2.988 20 0 BFADLO Cc1ccc2ccccc2c1OC1C[NH+](C)C1 ZINC001226815009 975097512 /nfs/dbraw/zinc/09/75/12/975097512.db2.gz IZJOFKCDMGFHMJ-UHFFFAOYSA-N 1 2 227.307 2.841 20 0 BFADLO CC[C@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001173273714 975149663 /nfs/dbraw/zinc/14/96/63/975149663.db2.gz OHVZLZVSPKALSF-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001173273714 975149669 /nfs/dbraw/zinc/14/96/69/975149669.db2.gz OHVZLZVSPKALSF-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H](C)c1cnccn1 ZINC001227263807 975338651 /nfs/dbraw/zinc/33/86/51/975338651.db2.gz IKWUDVIDRJNWOE-LLVKDONJSA-N 1 2 229.283 2.628 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H](C)c1cncnc1 ZINC001227263713 975339712 /nfs/dbraw/zinc/33/97/12/975339712.db2.gz HDXGJWOFZLDVAG-NSHDSACASA-N 1 2 229.283 2.628 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ncccn1)c1cccc(O)c1 ZINC001333037352 975380006 /nfs/dbraw/zinc/38/00/06/975380006.db2.gz NGUQGBIWAYLZRH-QWRGUYRKSA-N 1 2 243.310 2.594 20 0 BFADLO C[NH+]1CC(Oc2c(N=O)ccc3ccccc32)C1 ZINC001227495674 975480890 /nfs/dbraw/zinc/48/08/90/975480890.db2.gz WLGORSDVCVRBNZ-UHFFFAOYSA-N 1 2 242.278 2.931 20 0 BFADLO COc1cc[nH+]c(Nc2ccsc2)c1 ZINC001173820342 975599689 /nfs/dbraw/zinc/59/96/89/975599689.db2.gz ZSMJNOZEMWXLCK-UHFFFAOYSA-N 1 2 206.270 2.895 20 0 BFADLO Fc1cncc(F)c1C[N@@H+]1CCCC2(CC2)C1 ZINC001333355539 975704279 /nfs/dbraw/zinc/70/42/79/975704279.db2.gz GCAOXYYSVZPWQT-UHFFFAOYSA-N 1 2 238.281 2.736 20 0 BFADLO Fc1cncc(F)c1C[N@H+]1CCCC2(CC2)C1 ZINC001333355539 975704298 /nfs/dbraw/zinc/70/42/98/975704298.db2.gz GCAOXYYSVZPWQT-UHFFFAOYSA-N 1 2 238.281 2.736 20 0 BFADLO COc1ccc(Nc2[nH+]cc(O)cc2C)cc1F ZINC001173862446 975805964 /nfs/dbraw/zinc/80/59/64/975805964.db2.gz SFNSSMCXNZNGJB-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO CCc1ccc(Nc2[nH+]cccc2CCO)cc1 ZINC001173868472 975813491 /nfs/dbraw/zinc/81/34/91/975813491.db2.gz LBSGPIPLKWBUDS-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO Cc1cc(C)cc([N@H+]2C(=N)C=C(Cl)C=C2N)c1 ZINC001173828906 975851417 /nfs/dbraw/zinc/85/14/17/975851417.db2.gz MREIFAXHNXYFEE-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1cc(C)cc([N@@H+]2C(=N)C=C(Cl)C=C2N)c1 ZINC001173828906 975851422 /nfs/dbraw/zinc/85/14/22/975851422.db2.gz MREIFAXHNXYFEE-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO CCCC1CCN(c2nccn3c[nH+]cc23)CC1 ZINC001333666461 975958084 /nfs/dbraw/zinc/95/80/84/975958084.db2.gz CCIUAKFWYTZLOS-UHFFFAOYSA-N 1 2 244.342 2.746 20 0 BFADLO COc1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC001173957890 975999946 /nfs/dbraw/zinc/99/99/46/975999946.db2.gz NZGJWGWBPDBFCD-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO Cc1cc(F)ccc1N(C)c1[nH+]cccc1N ZINC001173966220 976016259 /nfs/dbraw/zinc/01/62/59/976016259.db2.gz XZNKMXOLZCUSJU-UHFFFAOYSA-N 1 2 231.274 2.879 20 0 BFADLO Cc1cn2c(cccc2Nc2ccoc2)[nH+]1 ZINC001173931081 976038161 /nfs/dbraw/zinc/03/81/61/976038161.db2.gz FEJRKYCIDVHXQL-UHFFFAOYSA-N 1 2 213.240 2.979 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccoc1 ZINC001173935021 976063966 /nfs/dbraw/zinc/06/39/66/976063966.db2.gz QXQGPTOGVJVUOC-UHFFFAOYSA-N 1 2 213.240 2.509 20 0 BFADLO Cc1[nH]c2ccc(OC[C@@H]3CCC=CO3)cc2[nH+]1 ZINC001228327946 976120893 /nfs/dbraw/zinc/12/08/93/976120893.db2.gz YLHLIPSEVJQBCH-LBPRGKRZSA-N 1 2 244.294 2.943 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3CCOC[C@H]3C)cc2[nH+]1 ZINC001228329593 976128233 /nfs/dbraw/zinc/12/82/33/976128233.db2.gz ONMOOIYBDXZDKA-OTYXRUKQSA-N 1 2 246.310 2.675 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3CCO[C@H](C)C3)cc2[nH+]1 ZINC001228330624 976128478 /nfs/dbraw/zinc/12/84/78/976128478.db2.gz ZUVZSGBILYRVBU-SKDRFNHKSA-N 1 2 246.310 2.818 20 0 BFADLO c1cc(C[N@@H+]2CCn3cccc3C2)n(C2CC2)c1 ZINC001333867455 976133392 /nfs/dbraw/zinc/13/33/92/976133392.db2.gz PRTDIDWSQGVLJA-UHFFFAOYSA-N 1 2 241.338 2.640 20 0 BFADLO c1cc(C[N@H+]2CCn3cccc3C2)n(C2CC2)c1 ZINC001333867455 976133401 /nfs/dbraw/zinc/13/34/01/976133401.db2.gz PRTDIDWSQGVLJA-UHFFFAOYSA-N 1 2 241.338 2.640 20 0 BFADLO COc1cc(NC2=CCCC2)cc(C)[nH+]1 ZINC001173999724 976159040 /nfs/dbraw/zinc/15/90/40/976159040.db2.gz USZFPNWKQDSRCE-UHFFFAOYSA-N 1 2 204.273 2.878 20 0 BFADLO N=C1C=Cc2c(N)cccc2[N@H+]1C1=CCCC1 ZINC001174000122 976162879 /nfs/dbraw/zinc/16/28/79/976162879.db2.gz NWMWXKZDKZBYHZ-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO N=C1C=Cc2c(N)cccc2[N@@H+]1C1=CCCC1 ZINC001174000122 976162894 /nfs/dbraw/zinc/16/28/94/976162894.db2.gz NWMWXKZDKZBYHZ-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO CCN=C1C=CC(N)=C[N@@H+]1c1ccc(C)cc1C ZINC001174012965 976179199 /nfs/dbraw/zinc/17/91/99/976179199.db2.gz NVRRIXOBJFMDSW-UHFFFAOYSA-N 1 2 241.338 2.597 20 0 BFADLO CCN=C1C=CC(N)=C[N@H+]1c1ccc(C)cc1C ZINC001174012965 976179211 /nfs/dbraw/zinc/17/92/11/976179211.db2.gz NVRRIXOBJFMDSW-UHFFFAOYSA-N 1 2 241.338 2.597 20 0 BFADLO CCN(C)c1ccc(Nc2cnccc2C)c[nH+]1 ZINC001174116896 976335796 /nfs/dbraw/zinc/33/57/96/976335796.db2.gz OMVXTMBXNQLWQZ-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cncc(OC)c1 ZINC001174089164 976359904 /nfs/dbraw/zinc/35/99/04/976359904.db2.gz QCGPOUFKJQLOTK-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO CCOc1cc[nH+]cc1Nc1c(C)n[nH]c1C ZINC001174215456 976400030 /nfs/dbraw/zinc/40/00/30/976400030.db2.gz HVKBVBKWOYWXQU-UHFFFAOYSA-N 1 2 232.287 2.564 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(C)nc1 ZINC001174281248 976438170 /nfs/dbraw/zinc/43/81/70/976438170.db2.gz MTGWLVYPUBOWQT-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cncc(F)c1 ZINC001174289753 976452444 /nfs/dbraw/zinc/45/24/44/976452444.db2.gz SXXRKXOICGVMGZ-UHFFFAOYSA-N 1 2 233.246 2.758 20 0 BFADLO Cc1nonc1[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC001334391400 976489524 /nfs/dbraw/zinc/48/95/24/976489524.db2.gz TUQAFNJIDQZFPT-SECBINFHSA-N 1 2 232.287 2.563 20 0 BFADLO COc1cc(Nc2ccc(C)[nH+]c2C)ccn1 ZINC001174305506 976518606 /nfs/dbraw/zinc/51/86/06/976518606.db2.gz NBDBLZGGJRTDBK-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCOc1cc(Nc2cn(C)nc2C)cc(C)[nH+]1 ZINC001174333770 976548449 /nfs/dbraw/zinc/54/84/49/976548449.db2.gz CRMVTUMPBLSOEN-UHFFFAOYSA-N 1 2 246.314 2.574 20 0 BFADLO Cc1c[nH+]c(Nc2cccc3n[nH]cc32)c(N)c1 ZINC001174344148 976570085 /nfs/dbraw/zinc/57/00/85/976570085.db2.gz YAQXRBFYXQSIGS-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cnn(C)c2C)cc1 ZINC001174393524 976588783 /nfs/dbraw/zinc/58/87/83/976588783.db2.gz GXIJGRRBDIXJGH-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cnn(C)c2C)cc1 ZINC001174393524 976588792 /nfs/dbraw/zinc/58/87/92/976588792.db2.gz GXIJGRRBDIXJGH-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO c1cc2cc(Nc3ccn4cc[nH+]c4c3)cnc2[nH]1 ZINC001174396053 976592855 /nfs/dbraw/zinc/59/28/55/976592855.db2.gz GLBALZWLIWKERO-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO Nc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001174484784 976713505 /nfs/dbraw/zinc/71/35/05/976713505.db2.gz XWYRIIMOSNOOQW-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO COc1cc(Nc2[nH+]cccc2C)ccc1O ZINC001174538746 976826454 /nfs/dbraw/zinc/82/64/54/976826454.db2.gz OZJJOCRVYSHIET-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnn(CC)c1 ZINC001174567397 976885690 /nfs/dbraw/zinc/88/56/90/976885690.db2.gz ABMWFARZTHDLCK-UHFFFAOYSA-N 1 2 230.315 2.912 20 0 BFADLO CC(C)c1cccc(O)c1OC1C[NH+](C(C)C)C1 ZINC001229706258 976956074 /nfs/dbraw/zinc/95/60/74/976956074.db2.gz APSGBLVDNCGBSW-UHFFFAOYSA-N 1 2 249.354 2.987 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(O)c(F)c1 ZINC001174733455 976977211 /nfs/dbraw/zinc/97/72/11/976977211.db2.gz KSXVTLTUDPIZSK-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cnc1F ZINC001335483364 977090161 /nfs/dbraw/zinc/09/01/61/977090161.db2.gz QYASGIXOCVSXKN-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cnc1F ZINC001335483364 977090171 /nfs/dbraw/zinc/09/01/71/977090171.db2.gz QYASGIXOCVSXKN-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc2c(c1)OCO2 ZINC001174860554 977127725 /nfs/dbraw/zinc/12/77/25/977127725.db2.gz SZRQYBQAVPFNQP-UHFFFAOYSA-N 1 2 228.251 2.862 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c(c1)OCO2 ZINC001174861139 977132687 /nfs/dbraw/zinc/13/26/87/977132687.db2.gz GWZTZXZARXFVEH-UHFFFAOYSA-N 1 2 244.250 2.563 20 0 BFADLO C[NH+]1CC(Oc2cnc3ccc(Cl)cc3c2)C1 ZINC001230582566 977261066 /nfs/dbraw/zinc/26/10/66/977261066.db2.gz LWZBJOMLZKASJM-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2ccncc2F)cc1 ZINC001175204640 977309663 /nfs/dbraw/zinc/30/96/63/977309663.db2.gz QOQCZLJYQBHRRF-UHFFFAOYSA-N 1 2 245.301 2.842 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2ccncc2F)cc1 ZINC001175204640 977309674 /nfs/dbraw/zinc/30/96/74/977309674.db2.gz QOQCZLJYQBHRRF-UHFFFAOYSA-N 1 2 245.301 2.842 20 0 BFADLO CCc1ccc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175341475 977361035 /nfs/dbraw/zinc/36/10/35/977361035.db2.gz SLTBDMDAYBNDMX-UHFFFAOYSA-N 1 2 242.326 2.849 20 0 BFADLO CN(C)c1ccc(Nc2ccc(F)cc2O)c[nH+]1 ZINC001175341198 977362704 /nfs/dbraw/zinc/36/27/04/977362704.db2.gz DPCLQVXKKMJNGL-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO CN(C)c1ccc(Nc2ccc(O)cc2F)c[nH+]1 ZINC001175342538 977364859 /nfs/dbraw/zinc/36/48/59/977364859.db2.gz STVPPBSWYIKSHU-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO CCc1ncsc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175342525 977365296 /nfs/dbraw/zinc/36/52/96/977365296.db2.gz RYNDGZSVENTBTP-UHFFFAOYSA-N 1 2 248.355 2.910 20 0 BFADLO CN(C)c1ccc(Nc2cccnc2Cl)c[nH+]1 ZINC001175338613 977388998 /nfs/dbraw/zinc/38/89/98/977388998.db2.gz ZBGNIGNPALWHBF-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO COc1ncc(Nc2cccc3[nH+]ccn32)s1 ZINC001175387587 977405035 /nfs/dbraw/zinc/40/50/35/977405035.db2.gz YDZBYFIMDRIPNI-UHFFFAOYSA-N 1 2 246.295 2.543 20 0 BFADLO c1cn2ccc(Nc3cncs3)cc2[nH+]1 ZINC001175496328 977459258 /nfs/dbraw/zinc/45/92/58/977459258.db2.gz DARRKWVLGYONSI-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO OCc1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001175513711 977492996 /nfs/dbraw/zinc/49/29/96/977492996.db2.gz GWEKOOCBLLETRC-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO CCOc1ncc(Nc2[nH+]c(C)ccc2C)cn1 ZINC001175555982 977538925 /nfs/dbraw/zinc/53/89/25/977538925.db2.gz HEZJYSYZFRFWKG-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO CC[NH+]1CC(Oc2c(O)ccc3ccccc32)C1 ZINC001231228956 977539629 /nfs/dbraw/zinc/53/96/29/977539629.db2.gz XZHMTPHOYIMYBW-UHFFFAOYSA-N 1 2 243.306 2.628 20 0 BFADLO Cc1ccc(Nc2ccc(CO)cc2)c(C)[nH+]1 ZINC001175562366 977543428 /nfs/dbraw/zinc/54/34/28/977543428.db2.gz GVDQRBLKKKOKGC-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001231601473 977649788 /nfs/dbraw/zinc/64/97/88/977649788.db2.gz HIUSMGNVXKKXBG-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001231601473 977649795 /nfs/dbraw/zinc/64/97/95/977649795.db2.gz HIUSMGNVXKKXBG-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cncs2)nc1 ZINC001231642929 977662253 /nfs/dbraw/zinc/66/22/53/977662253.db2.gz UQMIDHRCQXFFOH-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cncs2)nc1 ZINC001231642929 977662262 /nfs/dbraw/zinc/66/22/62/977662262.db2.gz UQMIDHRCQXFFOH-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO COCc1ccc(C[N@@H+]2CCc3occc3C2)o1 ZINC001231693253 977690515 /nfs/dbraw/zinc/69/05/15/977690515.db2.gz FEZPEYDCWGTCFD-UHFFFAOYSA-N 1 2 247.294 2.577 20 0 BFADLO COCc1ccc(C[N@H+]2CCc3occc3C2)o1 ZINC001231693253 977690521 /nfs/dbraw/zinc/69/05/21/977690521.db2.gz FEZPEYDCWGTCFD-UHFFFAOYSA-N 1 2 247.294 2.577 20 0 BFADLO CCc1ccc(N(CC)C[C@H]2CCOC2)[nH+]c1 ZINC001336547782 977769854 /nfs/dbraw/zinc/76/98/54/977769854.db2.gz CTNVQGRRZGJONB-CYBMUJFWSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C3CC3)C2)[nH+]1 ZINC001336563027 977780713 /nfs/dbraw/zinc/78/07/13/977780713.db2.gz YCDZPRZTSRTVTA-NSHDSACASA-N 1 2 220.291 2.765 20 0 BFADLO C[NH+](C)Cc1cnc(C(F)(F)F)cc1Cl ZINC001231898577 977790045 /nfs/dbraw/zinc/79/00/45/977790045.db2.gz STGMQWPYFILRAV-UHFFFAOYSA-N 1 2 238.640 2.815 20 0 BFADLO Cc1ccc(C)c(Nc2cnn(C3CC3)c2)[nH+]1 ZINC001175957103 977823033 /nfs/dbraw/zinc/82/30/33/977823033.db2.gz MROPJZMALBJLLL-UHFFFAOYSA-N 1 2 228.299 2.973 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2ccc3[nH]nnc3c2)c1 ZINC001175996336 977853729 /nfs/dbraw/zinc/85/37/29/977853729.db2.gz QDLLTVVMQKKSCN-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2ccc3nn[nH]c3c2)c1 ZINC001175996336 977853733 /nfs/dbraw/zinc/85/37/33/977853733.db2.gz QDLLTVVMQKKSCN-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO CCC[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001336702922 977866164 /nfs/dbraw/zinc/86/61/64/977866164.db2.gz IIPIHNAVTMLTAQ-OLZOCXBDSA-N 1 2 249.358 2.625 20 0 BFADLO CCc1ccc(N2CCC(C)(F)CC2)[nH+]c1 ZINC001336705338 977868520 /nfs/dbraw/zinc/86/85/20/977868520.db2.gz HKPIBPSSCTUSFE-UHFFFAOYSA-N 1 2 222.307 2.972 20 0 BFADLO COc1cc[nH+]cc1Nc1cccnc1Cl ZINC001176118057 977944673 /nfs/dbraw/zinc/94/46/73/977944673.db2.gz ALQSMMOUJQPVBO-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)nc1OC ZINC001176119409 977949152 /nfs/dbraw/zinc/94/91/52/977949152.db2.gz YJGHSEFVKPKVNG-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1ncccc1C ZINC001176118786 977952275 /nfs/dbraw/zinc/95/22/75/977952275.db2.gz HRSAQUJBDMUUFU-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc(Nc2c[nH+]ccc2OC)cc(C)n1 ZINC001176119682 977954476 /nfs/dbraw/zinc/95/44/76/977954476.db2.gz ZDLVOAULGJFNFC-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO C[N@@H+](Cc1cnsc1)Cc1cccs1 ZINC001232227634 977955840 /nfs/dbraw/zinc/95/58/40/977955840.db2.gz QOGRIYQGSGGKQU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@H+](Cc1cnsc1)Cc1cccs1 ZINC001232227634 977955858 /nfs/dbraw/zinc/95/58/58/977955858.db2.gz QOGRIYQGSGGKQU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1[C@H](C)O ZINC001176125015 977963722 /nfs/dbraw/zinc/96/37/22/977963722.db2.gz WOQRGWQCFDDYHC-JTQLQIEISA-N 1 2 244.294 2.887 20 0 BFADLO Cc1cn2c(cccc2Nc2c(C)noc2C)[nH+]1 ZINC001176177619 977976996 /nfs/dbraw/zinc/97/69/96/977976996.db2.gz SODAFHKELXCRLJ-UHFFFAOYSA-N 1 2 242.282 2.991 20 0 BFADLO CCN(C)c1ccc(Nc2c(C)noc2C)c[nH+]1 ZINC001176178747 977981021 /nfs/dbraw/zinc/98/10/21/977981021.db2.gz XGSDRILEBCTWFA-UHFFFAOYSA-N 1 2 246.314 2.886 20 0 BFADLO Cc1c[nH+]c(Nc2ccc3nonc3c2)c(C)c1 ZINC001176320604 978037410 /nfs/dbraw/zinc/03/74/10/978037410.db2.gz URHPGHRPOLXWPV-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1cccc(Nc2ccc3nonc3c2)[nH+]1 ZINC001176321393 978041961 /nfs/dbraw/zinc/04/19/61/978041961.db2.gz XQXOUAGECXKKOZ-UHFFFAOYSA-N 1 2 226.239 2.670 20 0 BFADLO OCc1cc(Nc2ccn3cc[nH+]c3c2)cs1 ZINC001176370394 978056992 /nfs/dbraw/zinc/05/69/92/978056992.db2.gz HUEOSMDKLYSTCY-UHFFFAOYSA-N 1 2 245.307 2.632 20 0 BFADLO C(c1n[nH]c2c1CCC2)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001232425213 978065613 /nfs/dbraw/zinc/06/56/13/978065613.db2.gz VIQNAPKMOROJBY-RYUDHWBXSA-N 1 2 245.370 2.520 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)o1 ZINC001232441327 978079066 /nfs/dbraw/zinc/07/90/66/978079066.db2.gz OPOQKHFPRSCDEP-SSDOTTSWSA-N 1 2 219.206 2.893 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ccc(C(F)(F)F)o1 ZINC001232441327 978079075 /nfs/dbraw/zinc/07/90/75/978079075.db2.gz OPOQKHFPRSCDEP-SSDOTTSWSA-N 1 2 219.206 2.893 20 0 BFADLO Cc1cccc(F)c1C[N@@H+]1CCCC(=O)CC1 ZINC001232490300 978143636 /nfs/dbraw/zinc/14/36/36/978143636.db2.gz QDIVTBKQPCIGIH-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1cccc(F)c1C[N@H+]1CCCC(=O)CC1 ZINC001232490300 978143639 /nfs/dbraw/zinc/14/36/39/978143639.db2.gz QDIVTBKQPCIGIH-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO c1nscc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750571 978172146 /nfs/dbraw/zinc/17/21/46/978172146.db2.gz YYHKCBJGLHFKIZ-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCC(C)CC1 ZINC001337120385 978173762 /nfs/dbraw/zinc/17/37/62/978173762.db2.gz GDXANVDOJVCCNY-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO CNc1ccccc1C[N@@H+]1Cc2ccncc2C1 ZINC001232671485 978227125 /nfs/dbraw/zinc/22/71/25/978227125.db2.gz MKZGLUZWZGOSIL-UHFFFAOYSA-N 1 2 239.322 2.639 20 0 BFADLO CNc1ccccc1C[N@H+]1Cc2ccncc2C1 ZINC001232671485 978227140 /nfs/dbraw/zinc/22/71/40/978227140.db2.gz MKZGLUZWZGOSIL-UHFFFAOYSA-N 1 2 239.322 2.639 20 0 BFADLO C[NH+](C)Cc1cnc(Cl)cc1Br ZINC001232681034 978252200 /nfs/dbraw/zinc/25/22/00/978252200.db2.gz KEWMYGRHIQJRTH-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO CCC[N@H+](C)Cc1ccc(F)c(O)c1F ZINC001232933353 978333219 /nfs/dbraw/zinc/33/32/19/978333219.db2.gz IBZWBRNJZFNCNI-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO CCC[N@@H+](C)Cc1ccc(F)c(O)c1F ZINC001232933353 978333231 /nfs/dbraw/zinc/33/32/31/978333231.db2.gz IBZWBRNJZFNCNI-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932316 978339676 /nfs/dbraw/zinc/33/96/76/978339676.db2.gz XULOUKGTJHHYRL-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO CC[N@H+](Cc1ccc(F)c(O)c1F)C1CC1 ZINC001232931274 978343341 /nfs/dbraw/zinc/34/33/41/978343341.db2.gz LHMJOPCBZRABIT-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[N@@H+](Cc1ccc(F)c(O)c1F)C1CC1 ZINC001232931274 978343347 /nfs/dbraw/zinc/34/33/47/978343347.db2.gz LHMJOPCBZRABIT-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC(C)[N@H+](C)Cc1ccc(F)c(O)c1F ZINC001232934363 978344270 /nfs/dbraw/zinc/34/42/70/978344270.db2.gz ZKFFXKIZNPNFQF-UHFFFAOYSA-N 1 2 215.243 2.511 20 0 BFADLO CC(C)[N@@H+](C)Cc1ccc(F)c(O)c1F ZINC001232934363 978344276 /nfs/dbraw/zinc/34/42/76/978344276.db2.gz ZKFFXKIZNPNFQF-UHFFFAOYSA-N 1 2 215.243 2.511 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811384 978377914 /nfs/dbraw/zinc/37/79/14/978377914.db2.gz DEJKQUROFMKOSL-ZYHUDNBSSA-N 1 2 249.358 2.586 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811384 978377927 /nfs/dbraw/zinc/37/79/27/978377927.db2.gz DEJKQUROFMKOSL-ZYHUDNBSSA-N 1 2 249.358 2.586 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CC12CCCC2 ZINC001337508345 978381392 /nfs/dbraw/zinc/38/13/92/978381392.db2.gz BAQBXBPFQGTDSF-LBPRGKRZSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1cc(F)cc(N2CCCOC(C)(C)C2)[nH+]1 ZINC001337783574 978495704 /nfs/dbraw/zinc/49/57/04/978495704.db2.gz SXCYQGVTNNCWOP-UHFFFAOYSA-N 1 2 238.306 2.534 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3C2)cc1O ZINC001233233831 978503178 /nfs/dbraw/zinc/50/31/78/978503178.db2.gz RKFLDRQSYQBYAE-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3C2)cc1O ZINC001233233831 978503186 /nfs/dbraw/zinc/50/31/86/978503186.db2.gz RKFLDRQSYQBYAE-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1C ZINC001233247783 978509944 /nfs/dbraw/zinc/50/99/44/978509944.db2.gz KEYINYBUCXZGTM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1C ZINC001233247783 978509951 /nfs/dbraw/zinc/50/99/51/978509951.db2.gz KEYINYBUCXZGTM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cnsc1C[N@@H+]1CCc2occc2C1 ZINC001233322191 978561942 /nfs/dbraw/zinc/56/19/42/978561942.db2.gz WAJPQHOKHZQKEF-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cnsc1C[N@H+]1CCc2occc2C1 ZINC001233322191 978561948 /nfs/dbraw/zinc/56/19/48/978561948.db2.gz WAJPQHOKHZQKEF-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CCc1ccc(N2CC(C)(C)OC[C@@H]2C)[nH+]c1 ZINC001337956473 978575541 /nfs/dbraw/zinc/57/55/41/978575541.db2.gz GDNNBVXZQWSURB-NSHDSACASA-N 1 2 234.343 2.648 20 0 BFADLO CCc1ccc(N2CCO[C@@](C)(C3CC3)C2)[nH+]c1 ZINC001338046146 978596022 /nfs/dbraw/zinc/59/60/22/978596022.db2.gz BJMUAQVWYVDFDY-OAHLLOKOSA-N 1 2 246.354 2.649 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCC3(CC3)C2)c1F ZINC001233393760 978597127 /nfs/dbraw/zinc/59/71/27/978597127.db2.gz KZTFEGOERVLXTQ-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCC3(CC3)C2)c1F ZINC001233393760 978597131 /nfs/dbraw/zinc/59/71/31/978597131.db2.gz KZTFEGOERVLXTQ-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Cc1[nH]c(CNc2ncc(Cl)s2)[nH+]c1C ZINC001338084849 978609277 /nfs/dbraw/zinc/60/92/77/978609277.db2.gz TUXXAZNBGVDFJR-UHFFFAOYSA-N 1 2 242.735 2.749 20 0 BFADLO C[NH+]1CC(Oc2ccc(C3CCC3)cc2)C1 ZINC001234297762 978815019 /nfs/dbraw/zinc/81/50/19/978815019.db2.gz OXXXUNOBUYOGMC-UHFFFAOYSA-N 1 2 217.312 2.647 20 0 BFADLO CC(C)[NH+]1CC(Oc2cccc3ncsc32)C1 ZINC001234477144 978846575 /nfs/dbraw/zinc/84/65/75/978846575.db2.gz MPQIICVEBBPPEX-UHFFFAOYSA-N 1 2 248.351 2.768 20 0 BFADLO C[N@H+](C/C=C\c1cccc(F)c1)Cc1cc[nH]n1 ZINC001180289085 978859764 /nfs/dbraw/zinc/85/97/64/978859764.db2.gz SDTDWFVCTKMVAD-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C\c1cccc(F)c1)Cc1cc[nH]n1 ZINC001180289085 978859766 /nfs/dbraw/zinc/85/97/66/978859766.db2.gz SDTDWFVCTKMVAD-HYXAFXHYSA-N 1 2 245.301 2.694 20 0 BFADLO CCOC(=[NH2+])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001234588293 978865904 /nfs/dbraw/zinc/86/59/04/978865904.db2.gz KVTZPKROASXNBW-ZDUSSCGKSA-N 1 2 249.310 2.606 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)OC(C)(C)C2)[nH+]1 ZINC001339546764 978866932 /nfs/dbraw/zinc/86/69/32/978866932.db2.gz HYOWFQHPPOSJBA-JTQLQIEISA-N 1 2 238.306 2.533 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@](C)(F)C2)c(C)[nH+]1 ZINC001234600182 978868593 /nfs/dbraw/zinc/86/85/93/978868593.db2.gz CMGZSVDGIANODE-ZDUSSCGKSA-N 1 2 239.338 2.741 20 0 BFADLO Cc1c(Cl)cccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001180367750 978875130 /nfs/dbraw/zinc/87/51/30/978875130.db2.gz CQKBGYKKKMLFMN-SNVBAGLBSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1c(Cl)cccc1C[N@H+]1CCO[C@H](C)C1 ZINC001180367750 978875134 /nfs/dbraw/zinc/87/51/34/978875134.db2.gz CQKBGYKKKMLFMN-SNVBAGLBSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1conc1Nc1ccc(C)[nH+]c1C ZINC001203362478 978877391 /nfs/dbraw/zinc/87/73/91/978877391.db2.gz ADHFKGXWHQDKTE-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCc1ccc(N2CCSC[C@@H](C)C2)[nH+]c1 ZINC001339687541 978892531 /nfs/dbraw/zinc/89/25/31/978892531.db2.gz PGWFORAXQCELAD-NSHDSACASA-N 1 2 236.384 2.833 20 0 BFADLO CCc1ccc(N2CCS[C@H](C)C2)[nH+]c1 ZINC001339798652 978917997 /nfs/dbraw/zinc/91/79/97/978917997.db2.gz KROUXTRWRYLVBV-SNVBAGLBSA-N 1 2 222.357 2.586 20 0 BFADLO Cc1[nH+]cc(Cc2ccccc2F)cc1N ZINC001249985865 978933529 /nfs/dbraw/zinc/93/35/29/978933529.db2.gz XMZSSYHTTRKJAE-UHFFFAOYSA-N 1 2 216.259 2.702 20 0 BFADLO CNc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC001180733786 978933705 /nfs/dbraw/zinc/93/37/05/978933705.db2.gz ZNMKJJWPFFUTIO-UHFFFAOYSA-N 1 2 220.291 2.787 20 0 BFADLO CNc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC001180733786 978933709 /nfs/dbraw/zinc/93/37/09/978933709.db2.gz ZNMKJJWPFFUTIO-UHFFFAOYSA-N 1 2 220.291 2.787 20 0 BFADLO Cc1cc(F)c(C[NH+]2CC=CC2)c(F)c1 ZINC001235191518 978992828 /nfs/dbraw/zinc/99/28/28/978992828.db2.gz ASCXKKUHPQBJKT-UHFFFAOYSA-N 1 2 209.239 2.645 20 0 BFADLO CCc1cccc(C[N@@H+]2CCO[C@H](C(C)C)C2)n1 ZINC001235264648 979013443 /nfs/dbraw/zinc/01/34/43/979013443.db2.gz PMNRBNNMERPJEM-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1cccc(C[N@H+]2CCO[C@H](C(C)C)C2)n1 ZINC001235264648 979013450 /nfs/dbraw/zinc/01/34/50/979013450.db2.gz PMNRBNNMERPJEM-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO Cc1cnc(F)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001235333772 979028162 /nfs/dbraw/zinc/02/81/62/979028162.db2.gz YXRXQNIODWYYCM-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cnc(F)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001235333772 979028168 /nfs/dbraw/zinc/02/81/68/979028168.db2.gz YXRXQNIODWYYCM-GFCCVEGCSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2ncc(Cl)cn2)[C@H]1C ZINC001235413000 979039187 /nfs/dbraw/zinc/03/91/87/979039187.db2.gz MKEJDAKUAKVHHF-UWVGGRQHSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)[C@H]1C ZINC001235413000 979039195 /nfs/dbraw/zinc/03/91/95/979039195.db2.gz MKEJDAKUAKVHHF-UWVGGRQHSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)cn2)[C@@H](C)C1 ZINC001235412127 979040833 /nfs/dbraw/zinc/04/08/33/979040833.db2.gz AWMBVRLUEXJNRZ-UWVGGRQHSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)cn2)[C@@H](C)C1 ZINC001235412127 979040840 /nfs/dbraw/zinc/04/08/40/979040840.db2.gz AWMBVRLUEXJNRZ-UWVGGRQHSA-N 1 2 239.750 2.750 20 0 BFADLO Clc1cnc(C[NH+]2CCCCCC2)nc1 ZINC001235415770 979040914 /nfs/dbraw/zinc/04/09/14/979040914.db2.gz CGTBMQPOMWQZPL-UHFFFAOYSA-N 1 2 225.723 2.506 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cn2)[C@H]1C ZINC001235413002 979041515 /nfs/dbraw/zinc/04/15/15/979041515.db2.gz MKEJDAKUAKVHHF-ZJUUUORDSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)[C@H]1C ZINC001235413002 979041522 /nfs/dbraw/zinc/04/15/22/979041522.db2.gz MKEJDAKUAKVHHF-ZJUUUORDSA-N 1 2 239.750 2.750 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1C=CCCC1 ZINC001340811073 979117876 /nfs/dbraw/zinc/11/78/76/979117876.db2.gz VVTPFAQFKSSTLJ-ZDUSSCGKSA-N 1 2 244.338 2.805 20 0 BFADLO Cc1ccc(Br)c(C[NH+](C)C)c1F ZINC001235741341 979140439 /nfs/dbraw/zinc/14/04/39/979140439.db2.gz HEXFZJUKWUYTIR-UHFFFAOYSA-N 1 2 246.123 2.958 20 0 BFADLO Cc1ccc(-c2cc(O)cc(Cl)c2)[nH+]c1N ZINC001235898365 979188997 /nfs/dbraw/zinc/18/89/97/979188997.db2.gz GNAMCHOKVNVLLF-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccnn1Cc1ccccc1 ZINC001236050575 979343735 /nfs/dbraw/zinc/34/37/35/979343735.db2.gz WJIGOFOMEHXPIP-OTSXPSDFSA-N 1 2 239.322 2.807 20 0 BFADLO Cc1ccc(Nc2ccnn2CCF)c(C)[nH+]1 ZINC001203368972 979391656 /nfs/dbraw/zinc/39/16/56/979391656.db2.gz IWKVUNLQGQGCOE-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO Nc1cc(C(F)(F)F)c(C2CC2)c[nH+]1 ZINC001250032486 979421249 /nfs/dbraw/zinc/42/12/49/979421249.db2.gz NNMGSNNYXPGGLK-UHFFFAOYSA-N 1 2 202.179 2.560 20 0 BFADLO COc1cc(F)ncc1Nc1ccc(C)[nH+]c1C ZINC001203369791 979462297 /nfs/dbraw/zinc/46/22/97/979462297.db2.gz SHSKOHHINFQESA-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CCOc1cnc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001203370794 979476339 /nfs/dbraw/zinc/47/63/39/979476339.db2.gz VDQFPQKNSLXGEV-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO CC(=O)Nc1ccc(C)c(-c2ccc(N)[nH+]c2)c1 ZINC001236311890 979516894 /nfs/dbraw/zinc/51/68/94/979516894.db2.gz GJRFYQXWIZIZMB-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO CCc1cc(OC)ccc1-c1ccc(N)[nH+]c1 ZINC001236312806 979517123 /nfs/dbraw/zinc/51/71/23/979517123.db2.gz XGYAPENPRFZYTL-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Nc1ccc(-c2cccc(-c3ncco3)c2)c[nH+]1 ZINC001236313382 979521493 /nfs/dbraw/zinc/52/14/93/979521493.db2.gz PQBGAPNONDSXIC-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO COc1cc(C)c(-c2ccc(N)[nH+]c2)c(C)c1 ZINC001236313737 979525011 /nfs/dbraw/zinc/52/50/11/979525011.db2.gz ZNDDGXNLFMCOPE-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccc(N)nc2)cc1 ZINC001236316716 979527544 /nfs/dbraw/zinc/52/75/44/979527544.db2.gz PCWZMKJHJYDOSX-UHFFFAOYSA-N 1 2 241.294 2.693 20 0 BFADLO Cc1noc2cc(-c3ccc(N)[nH+]c3)ccc12 ZINC001236316097 979527770 /nfs/dbraw/zinc/52/77/70/979527770.db2.gz LDXZVQROPSONEA-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CCc1cc(-c2ccc(N)[nH+]c2)ccc1OC ZINC001236315898 979529544 /nfs/dbraw/zinc/52/95/44/979529544.db2.gz DOQGAVKPZIMAOP-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)NC(=S)C3)c[nH+]1 ZINC001236316713 979530030 /nfs/dbraw/zinc/53/00/30/979530030.db2.gz IWEMUYNSDFYACB-UHFFFAOYSA-N 1 2 241.319 2.626 20 0 BFADLO Cc1ccc(Nc2ncncc2C)c(C)[nH+]1 ZINC001203373665 979593958 /nfs/dbraw/zinc/59/39/58/979593958.db2.gz NTVLGYWCGHYFMP-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cc(-c2ccnc(OC(C)C)c2)c[nH+]c1N ZINC001236564683 979633810 /nfs/dbraw/zinc/63/38/10/979633810.db2.gz YYRHFKFPXYRARO-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cncc(O)c2)c1 ZINC001236583797 979665245 /nfs/dbraw/zinc/66/52/45/979665245.db2.gz UGTZHELWHOPTDV-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO Oc1cc(F)cc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001237277034 979860944 /nfs/dbraw/zinc/86/09/44/979860944.db2.gz LFYMMAUEELDQHK-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cc(F)cc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001237277034 979860948 /nfs/dbraw/zinc/86/09/48/979860948.db2.gz LFYMMAUEELDQHK-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO CC(C)c1cccc(C[NH+]2CCC(=O)CC2)c1 ZINC001237455904 979899036 /nfs/dbraw/zinc/89/90/36/979899036.db2.gz FGTLHWQFUPQTAB-UHFFFAOYSA-N 1 2 231.339 2.975 20 0 BFADLO CC(C)c1cccc(C[N@@H+]2CCC23COC3)c1 ZINC001237462749 979902229 /nfs/dbraw/zinc/90/22/29/979902229.db2.gz OSWYDMUCRZQKIH-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO CC(C)c1cccc(C[N@H+]2CCC23COC3)c1 ZINC001237462749 979902243 /nfs/dbraw/zinc/90/22/43/979902243.db2.gz OSWYDMUCRZQKIH-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO COc1c(C)cccc1C[NH+]1CC(OC(C)C)C1 ZINC001237503697 979918395 /nfs/dbraw/zinc/91/83/95/979918395.db2.gz FTCYULYZVKELMC-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO CCn1c[nH+]cc1CN1Cc2ccc(F)cc2C1 ZINC001237589414 979951677 /nfs/dbraw/zinc/95/16/77/979951677.db2.gz CWKVNDPPCGCJTH-UHFFFAOYSA-N 1 2 245.301 2.558 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@H]2c2cccnc2)n1 ZINC001237635180 979983033 /nfs/dbraw/zinc/98/30/33/979983033.db2.gz JVUQOQSRGZFACS-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@H]2c2cccnc2)n1 ZINC001237635180 979983047 /nfs/dbraw/zinc/98/30/47/979983047.db2.gz JVUQOQSRGZFACS-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CCc2ccccc2C1 ZINC001237652514 980010853 /nfs/dbraw/zinc/01/08/53/980010853.db2.gz VHSMWDTYEIRYEO-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CCc2ccccc2C1 ZINC001237652514 980010859 /nfs/dbraw/zinc/01/08/59/980010859.db2.gz VHSMWDTYEIRYEO-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1[nH]ncc1C[N@@H+](CC)Cc1ccccc1 ZINC001237652290 980017568 /nfs/dbraw/zinc/01/75/68/980017568.db2.gz QTTPEVXZNQDAQJ-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCc1[nH]ncc1C[N@H+](CC)Cc1ccccc1 ZINC001237652290 980017578 /nfs/dbraw/zinc/01/75/78/980017578.db2.gz QTTPEVXZNQDAQJ-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO COC1C[NH+](Cc2ccc(OC(C)C)c(C)c2)C1 ZINC001237716531 980038868 /nfs/dbraw/zinc/03/88/68/980038868.db2.gz JMVPGCSFIYIUNL-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001237815581 980066023 /nfs/dbraw/zinc/06/60/23/980066023.db2.gz WCQFRALXMVEWPB-LLVKDONJSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1nc(C[N@H+]2CCCC[C@@H](F)C2)ccc1F ZINC001237815581 980066036 /nfs/dbraw/zinc/06/60/36/980066036.db2.gz WCQFRALXMVEWPB-LLVKDONJSA-N 1 2 240.297 2.853 20 0 BFADLO COc1ccoc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001237863528 980099331 /nfs/dbraw/zinc/09/93/31/980099331.db2.gz NVBDFRCDOGLFCZ-JTQLQIEISA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccoc1C[N@H+]1CCCC[C@H](F)C1 ZINC001237863528 980099342 /nfs/dbraw/zinc/09/93/42/980099342.db2.gz NVBDFRCDOGLFCZ-JTQLQIEISA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccoc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC001237868151 980105643 /nfs/dbraw/zinc/10/56/43/980105643.db2.gz JYYNSGPMSXNNMD-LBPRGKRZSA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccoc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001237868151 980105648 /nfs/dbraw/zinc/10/56/48/980105648.db2.gz JYYNSGPMSXNNMD-LBPRGKRZSA-N 1 2 227.279 2.612 20 0 BFADLO CCCOC1C[NH+](Cc2ccsc2C)C1 ZINC001237969960 980121362 /nfs/dbraw/zinc/12/13/62/980121362.db2.gz CXLGUELZNKFPBQ-UHFFFAOYSA-N 1 2 225.357 2.667 20 0 BFADLO C[N@H+](Cc1cncc(Cl)c1Cl)C1CC1 ZINC001238008035 980123835 /nfs/dbraw/zinc/12/38/35/980123835.db2.gz NFWLQWKSCKQWJB-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@@H+](Cc1cncc(Cl)c1Cl)C1CC1 ZINC001238008035 980123841 /nfs/dbraw/zinc/12/38/41/980123841.db2.gz NFWLQWKSCKQWJB-UHFFFAOYSA-N 1 2 231.126 2.983 20 0 BFADLO C[N@H+](CCF)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237997047 980125130 /nfs/dbraw/zinc/12/51/30/980125130.db2.gz APDULKGMBFDLTF-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO C[N@@H+](CCF)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237997047 980125135 /nfs/dbraw/zinc/12/51/35/980125135.db2.gz APDULKGMBFDLTF-UHFFFAOYSA-N 1 2 241.697 2.618 20 0 BFADLO c1nocc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001203230919 980156565 /nfs/dbraw/zinc/15/65/65/980156565.db2.gz AKHDXEAMVQESGT-UHFFFAOYSA-N 1 2 244.298 2.804 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238182227 980213471 /nfs/dbraw/zinc/21/34/71/980213471.db2.gz QJSMEYOFAWIWEY-CYBMUJFWSA-N 1 2 220.291 2.503 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238182227 980213476 /nfs/dbraw/zinc/21/34/76/980213476.db2.gz QJSMEYOFAWIWEY-CYBMUJFWSA-N 1 2 220.291 2.503 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238224306 980229629 /nfs/dbraw/zinc/22/96/29/980229629.db2.gz GSTCVDACSFZYTO-MRVPVSSYSA-N 1 2 228.698 2.858 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1c(F)ccnc1Cl ZINC001238224306 980229638 /nfs/dbraw/zinc/22/96/38/980229638.db2.gz GSTCVDACSFZYTO-MRVPVSSYSA-N 1 2 228.698 2.858 20 0 BFADLO Cc1cc(C[N@H+](C)CCF)cnc1C1CC1 ZINC001238632887 980300316 /nfs/dbraw/zinc/30/03/16/980300316.db2.gz VPXTUDJMNYHJRB-UHFFFAOYSA-N 1 2 222.307 2.669 20 0 BFADLO Cc1cc(C[N@@H+](C)CCF)cnc1C1CC1 ZINC001238632887 980300328 /nfs/dbraw/zinc/30/03/28/980300328.db2.gz VPXTUDJMNYHJRB-UHFFFAOYSA-N 1 2 222.307 2.669 20 0 BFADLO CCOc1ccc(C)c(C[NH+]2CC(OCC)C2)c1 ZINC001238706122 980308687 /nfs/dbraw/zinc/30/86/87/980308687.db2.gz VNUULPVMRVPBBL-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(C2CC2)nc1 ZINC001238853848 980342844 /nfs/dbraw/zinc/34/28/44/980342844.db2.gz QWTDJCQWUQKLJC-LFQLTVTGSA-N 1 2 200.285 2.835 20 0 BFADLO CCC/C=C\C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344090677 980346011 /nfs/dbraw/zinc/34/60/11/980346011.db2.gz HSBSLXYTARYSLC-SREVYHEPSA-N 1 2 236.315 2.518 20 0 BFADLO CCOCc1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001238929541 980368464 /nfs/dbraw/zinc/36/84/64/980368464.db2.gz JERSIHZYYABQGU-UHFFFAOYSA-N 1 2 243.310 2.571 20 0 BFADLO CC(C)(O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC001239151317 980466666 /nfs/dbraw/zinc/46/66/66/980466666.db2.gz OZDUZULNMNVEMB-BQYQJAHWSA-N 1 2 228.295 2.656 20 0 BFADLO CCn1ncc(Nc2cc(C)c[nH+]c2C)c1C ZINC001203653980 980473017 /nfs/dbraw/zinc/47/30/17/980473017.db2.gz AFLQOHGKWVXPDX-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO Cc1coc(Nc2cc(C)c[nH+]c2C)n1 ZINC001203654073 980475591 /nfs/dbraw/zinc/47/55/91/980475591.db2.gz CCQRXHYYDPNJGG-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCOc1nccnc1Nc1cc(C)c[nH+]c1C ZINC001203656425 980489476 /nfs/dbraw/zinc/48/94/76/980489476.db2.gz SARISNGIJDMYNA-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO CCOc1cc(Nc2cc(C)c[nH+]c2C)no1 ZINC001203656890 980492252 /nfs/dbraw/zinc/49/22/52/980492252.db2.gz BPXPKOUCIZTFDT-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO CSc1cc(Nc2cc(C)c[nH+]c2C)nn1C ZINC001203657648 980494339 /nfs/dbraw/zinc/49/43/39/980494339.db2.gz SQGZFTXMHHVUBI-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO Cc1nnc(SCc2ccc(C)[nH+]c2C)o1 ZINC001188101913 980593306 /nfs/dbraw/zinc/59/33/06/980593306.db2.gz FZCXPSAHBATERL-UHFFFAOYSA-N 1 2 235.312 2.682 20 0 BFADLO Cc1ccc(SCc2ccc[nH+]c2N)nc1 ZINC001188628254 980682146 /nfs/dbraw/zinc/68/21/46/980682146.db2.gz WLSNXGJSZYHRAN-UHFFFAOYSA-N 1 2 231.324 2.660 20 0 BFADLO CCOc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001239564478 980747740 /nfs/dbraw/zinc/74/77/40/980747740.db2.gz IGHMOUAIPAOKOP-ZVSIBQGLSA-N 1 2 203.285 2.961 20 0 BFADLO Cc1ccc(CCn2cc[nH+]c2)cc1C ZINC001250315556 980754792 /nfs/dbraw/zinc/75/47/92/980754792.db2.gz OQYWMYUQOKKPJC-UHFFFAOYSA-N 1 2 200.285 2.743 20 0 BFADLO c1coc(-c2ccc(CCn3cc[nH+]c3)cc2)n1 ZINC001250320951 980762278 /nfs/dbraw/zinc/76/22/78/980762278.db2.gz UBQXIAHUBWXSSW-UHFFFAOYSA-N 1 2 239.278 2.781 20 0 BFADLO COc1cc(CCn2cc[nH+]c2)cc(C)c1F ZINC001250319515 980764735 /nfs/dbraw/zinc/76/47/35/980764735.db2.gz GETHSLRYYXWXNW-UHFFFAOYSA-N 1 2 234.274 2.582 20 0 BFADLO c1cn(Cc2ccccc2-c2ccncc2)c[nH+]1 ZINC001239611352 980809421 /nfs/dbraw/zinc/80/94/21/980809421.db2.gz PNAGDYAYPKWHPH-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO CCc1cn([C@H](C)C(=O)C(C)(C)C)c[nH+]1 ZINC001190103087 980845815 /nfs/dbraw/zinc/84/58/15/980845815.db2.gz GRVCMCPWDPJYKD-SECBINFHSA-N 1 2 208.305 2.622 20 0 BFADLO CCc1cn(Cc2cc(C)ccc2OC)c[nH+]1 ZINC001190104956 980847508 /nfs/dbraw/zinc/84/75/08/980847508.db2.gz WGEYBXLCVZLJCK-UHFFFAOYSA-N 1 2 230.311 2.811 20 0 BFADLO CC(=O)Nc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001239783144 980914427 /nfs/dbraw/zinc/91/44/27/980914427.db2.gz OHLZHRZHTDWCMB-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO COCOc1ccc2[nH]c(C(C)C)[nH+]c2c1 ZINC001250421282 981006453 /nfs/dbraw/zinc/00/64/53/981006453.db2.gz DECVZMCQGBHLDM-UHFFFAOYSA-N 1 2 220.272 2.669 20 0 BFADLO COc1cncc(-c2cccc3[nH+]c(C)cn32)c1 ZINC001239928873 981038209 /nfs/dbraw/zinc/03/82/09/981038209.db2.gz MUJZRHBDVFGSOR-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COCc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001239937319 981048126 /nfs/dbraw/zinc/04/81/26/981048126.db2.gz YOJUSDLLRUMSMX-JNKBEKGTSA-N 1 2 203.285 2.709 20 0 BFADLO CC(C)N(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001151963653 981071223 /nfs/dbraw/zinc/07/12/23/981071223.db2.gz FAUAQSPRHZPLIN-UHFFFAOYSA-N 1 2 245.326 2.822 20 0 BFADLO Cn1c[nH+]cc1-c1cccc2cnccc21 ZINC001240008996 981097587 /nfs/dbraw/zinc/09/75/87/981097587.db2.gz LHOKYCQTXXMOGF-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO Cc1nn(C)c(C)c1-c1cc(C)cn2cc[nH+]c12 ZINC001240145966 981146207 /nfs/dbraw/zinc/14/62/07/981146207.db2.gz XEBNQFKGCOVAFB-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1cc(-c2ccc3n[nH]cc3c2)c[nH+]c1N ZINC001240212300 981158853 /nfs/dbraw/zinc/15/88/53/981158853.db2.gz LQHRBUXVLLJKKL-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CC(C)c1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240214847 981163053 /nfs/dbraw/zinc/16/30/53/981163053.db2.gz SRHRGIAICKEIJD-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO c1cn2cc(-c3ccc4cccnc4n3)ccc2[nH+]1 ZINC001240214858 981163983 /nfs/dbraw/zinc/16/39/83/981163983.db2.gz UCOFNOCAIVREGQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CC(C)c1nccnc1-c1ccc2[nH+]ccn2c1 ZINC001240217179 981165716 /nfs/dbraw/zinc/16/57/16/981165716.db2.gz FUDFMECBTLXZDT-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO c1cn2cccc(-c3ccc4[nH+]ccn4c3)c2n1 ZINC001240217838 981166046 /nfs/dbraw/zinc/16/60/46/981166046.db2.gz PJFKHXKCBLPIAJ-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO COc1cnc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240217778 981166353 /nfs/dbraw/zinc/16/63/53/981166353.db2.gz OESNWFDNUJPLLJ-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)cnc1F ZINC001240218052 981166980 /nfs/dbraw/zinc/16/69/80/981166980.db2.gz XWDITQZLZGWINN-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Fc1cnccc1-c1ccc2[nH+]ccn2c1 ZINC001240217719 981167751 /nfs/dbraw/zinc/16/77/51/981167751.db2.gz NHWBLLGCMWACSG-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO COc1ncc(C)cc1-c1ccc2[nH+]ccn2c1 ZINC001240218493 981169928 /nfs/dbraw/zinc/16/99/28/981169928.db2.gz OJIYAIUWXYLHSO-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1ccnc(F)c1-c1ccc2[nH+]ccn2c1 ZINC001240219339 981169996 /nfs/dbraw/zinc/16/99/96/981169996.db2.gz HEOUHMQURRTZHZ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cncc(-c2ccc3[nH+]ccn3c2)c1C ZINC001240219350 981170512 /nfs/dbraw/zinc/17/05/12/981170512.db2.gz HNPNZONCGGVRPY-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2cc(-c3cnc4cccnc4c3)ccc2[nH+]1 ZINC001240219605 981171884 /nfs/dbraw/zinc/17/18/84/981171884.db2.gz PWTHFTNWUOOIEO-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCC[C@@H](CC)C(=O)OCc1c[nH+]cn1CC ZINC001347971542 981231209 /nfs/dbraw/zinc/23/12/09/981231209.db2.gz JDXGKECIHGEIMS-LLVKDONJSA-N 1 2 238.331 2.773 20 0 BFADLO CCc1ccc(N2CC[C@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC001348052521 981263116 /nfs/dbraw/zinc/26/31/16/981263116.db2.gz QCFDYHUALGDJRK-KBPBESRZSA-N 1 2 246.354 2.507 20 0 BFADLO CCc1ccc(N2CC[C@@H](C)[C@@H](F)C2)[nH+]c1 ZINC001348074288 981274374 /nfs/dbraw/zinc/27/43/74/981274374.db2.gz SJLXAWNFOLCYNA-PWSUYJOCSA-N 1 2 222.307 2.828 20 0 BFADLO Cn1ncc2ccc(-c3ccc4[nH+]ccn4c3)cc21 ZINC001240308217 981277935 /nfs/dbraw/zinc/27/79/35/981277935.db2.gz KSQCWXWBVVQFTK-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)OC1CCCC1 ZINC001193521237 981370355 /nfs/dbraw/zinc/37/03/55/981370355.db2.gz CXRNMFKLNKQSBR-UHFFFAOYSA-N 1 2 245.282 2.825 20 0 BFADLO Cc1nn(C)c2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001240459536 981394168 /nfs/dbraw/zinc/39/41/68/981394168.db2.gz YHSRVPKFUAEAFY-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO c1cc2cc(-c3ccn4cc[nH+]c4c3)ncc2[nH]1 ZINC001240495875 981414915 /nfs/dbraw/zinc/41/49/15/981414915.db2.gz ATUCYBHFVJZCBA-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cnc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001240496379 981418149 /nfs/dbraw/zinc/41/81/49/981418149.db2.gz LHDHORTXUVBVJM-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3nncc4ccccc43)cc2[nH+]1 ZINC001240496997 981418219 /nfs/dbraw/zinc/41/82/19/981418219.db2.gz VFJYGZWKRPFMMQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CC(C)c1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497263 981419080 /nfs/dbraw/zinc/41/90/80/981419080.db2.gz POPZAWKSDQBWRW-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Cc1sccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001240500098 981424591 /nfs/dbraw/zinc/42/45/91/981424591.db2.gz JMPWVPWODIFCAZ-UHFFFAOYSA-N 1 2 229.308 2.953 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)c(C)n1 ZINC001240508586 981430396 /nfs/dbraw/zinc/43/03/96/981430396.db2.gz DNSMSAGTKMDYQX-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cn1cnc2cc(-c3ccn4cc[nH+]c4c3)ccc21 ZINC001240509362 981434699 /nfs/dbraw/zinc/43/46/99/981434699.db2.gz XOUFOZSPUGKAGC-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCOc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240511939 981435665 /nfs/dbraw/zinc/43/56/65/981435665.db2.gz MXMLKVGNMPDZSU-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO Cc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001240511014 981437264 /nfs/dbraw/zinc/43/72/64/981437264.db2.gz YNFMKHYBTRLGDF-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(N)cc1F ZINC001240526139 981463043 /nfs/dbraw/zinc/46/30/43/981463043.db2.gz AUGFMJDYXLJWNS-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO CNc1cc(-c2ccc3c[nH]nc3c2)cc[nH+]1 ZINC001240557697 981468015 /nfs/dbraw/zinc/46/80/15/981468015.db2.gz CDILOUZFNHBCSL-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO CNC(=O)c1ccc(-c2c(C)cc[nH+]c2C)cc1 ZINC001240569535 981482482 /nfs/dbraw/zinc/48/24/82/981482482.db2.gz YNTDWLFVJGCZQM-UHFFFAOYSA-N 1 2 240.306 2.725 20 0 BFADLO CCn1cc(-c2ccc3[nH+]ccn3c2C)cn1 ZINC001240653899 981564755 /nfs/dbraw/zinc/56/47/55/981564755.db2.gz QFWMVEDOFGFLRB-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2[nH]ccc21 ZINC001240711609 981691689 /nfs/dbraw/zinc/69/16/89/981691689.db2.gz SGRQADXBHWYAKE-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO CC(C)(C)COC(=O)Nc1cccc2[nH+]ccn21 ZINC001194350325 981717434 /nfs/dbraw/zinc/71/74/34/981717434.db2.gz GAWGIIDFGLYNCN-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO Cc1cc(-c2cccc3[nH+]ccn32)ccn1 ZINC001240717209 981732611 /nfs/dbraw/zinc/73/26/11/981732611.db2.gz YVMJXOWUASWVOE-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Nc1cc(-c2cncc(C(F)(F)F)c2)cc[nH+]1 ZINC001240792376 981834924 /nfs/dbraw/zinc/83/49/24/981834924.db2.gz SDFAEFJNYSSJHC-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO CC[C@H]1CCCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001349985887 981837653 /nfs/dbraw/zinc/83/76/53/981837653.db2.gz KMAILGUVYJASML-WDEREUQCSA-N 1 2 237.347 2.815 20 0 BFADLO COc1ccc(-c2ccc(C)c(N)[nH+]2)cc1C ZINC001240863582 981906319 /nfs/dbraw/zinc/90/63/19/981906319.db2.gz MRYQJEPQFZJJGQ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO COC1(CNc2c[nH+]c(C)c(C)c2)CCC1 ZINC001350329904 981929906 /nfs/dbraw/zinc/92/99/06/981929906.db2.gz NUALSWCXHAQQBS-UHFFFAOYSA-N 1 2 220.316 2.679 20 0 BFADLO CC(C)CCOC(=O)Nc1cccc2[nH+]ccn21 ZINC001194842680 981955404 /nfs/dbraw/zinc/95/54/04/981955404.db2.gz FEJXXCNZQLYAHZ-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO c1cn(Cc2ccc(Nc3cnoc3)cc2)c[nH+]1 ZINC001203239795 981961436 /nfs/dbraw/zinc/96/14/36/981961436.db2.gz BIYQFLLTCWDFGJ-UHFFFAOYSA-N 1 2 240.266 2.663 20 0 BFADLO COCc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC001240952873 982020413 /nfs/dbraw/zinc/02/04/13/982020413.db2.gz PZNZPQNJCVRFSH-UHFFFAOYSA-N 1 2 242.322 2.961 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)c(F)c(F)c1 ZINC001240980369 982061240 /nfs/dbraw/zinc/06/12/40/982061240.db2.gz STGKJADYMBTGQR-JKEDICHKSA-N 1 2 213.202 2.980 20 0 BFADLO COc1cc(F)cc(-c2cc[nH+]c3c2CCN3)c1 ZINC001241031948 982130380 /nfs/dbraw/zinc/13/03/80/982130380.db2.gz ZYIWEMDKECUQST-UHFFFAOYSA-N 1 2 244.269 2.864 20 0 BFADLO CCOc1ccc(-c2c[nH+]cn2C)cc1F ZINC001241086257 982200035 /nfs/dbraw/zinc/20/00/35/982200035.db2.gz LKZGTDXIAZXGLT-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1c(F)cc(O)cc1F ZINC001241121455 982245110 /nfs/dbraw/zinc/24/51/10/982245110.db2.gz KPPZPMIRFMICQZ-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO OCc1ccc(F)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001241150681 982283114 /nfs/dbraw/zinc/28/31/14/982283114.db2.gz FVQOORHSCFBYIN-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO OCc1ccc(F)c(-c2cccc3[nH+]ccn32)c1 ZINC001241153116 982288707 /nfs/dbraw/zinc/28/87/07/982288707.db2.gz VSBKHXSOQUCLGO-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Nc1cc(-c2ccc(-c3ccon3)cc2)cc[nH+]1 ZINC001241161888 982299649 /nfs/dbraw/zinc/29/96/49/982299649.db2.gz AONYFWCEXBWMAM-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Nc1cc(-c2ccncc2C(F)(F)F)cc[nH+]1 ZINC001241163355 982303125 /nfs/dbraw/zinc/30/31/25/982303125.db2.gz MHQDKCZRDKIJPA-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO COc1cc(C)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241162869 982304532 /nfs/dbraw/zinc/30/45/32/982304532.db2.gz OGAGICWVDAGFSG-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Cc1cc2c(nccc2-c2cc[nH+]c(N)c2)[nH]1 ZINC001241163506 982306336 /nfs/dbraw/zinc/30/63/36/982306336.db2.gz VKLAJPXPHRSYDS-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccncc1F ZINC001241226133 982369765 /nfs/dbraw/zinc/36/97/65/982369765.db2.gz NDVPISSDFBPILV-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1cnc(C)c(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241228498 982380229 /nfs/dbraw/zinc/38/02/29/982380229.db2.gz OJBDXJNYWXYJRO-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO CC(C)(C)c1cn(Cc2ccc(F)cn2)c[nH+]1 ZINC001351781104 982384637 /nfs/dbraw/zinc/38/46/37/982384637.db2.gz JNNBCYDQCKURDV-UHFFFAOYSA-N 1 2 233.290 2.763 20 0 BFADLO Cc1cc(F)nc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241242504 982385762 /nfs/dbraw/zinc/38/57/62/982385762.db2.gz FXYHUAZRVDKBOW-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO CC(=O)c1ccc(-c2c[nH+]c(N)c(C)c2)cc1F ZINC001241260096 982397349 /nfs/dbraw/zinc/39/73/49/982397349.db2.gz ZHLQHRSBOAMCQD-UHFFFAOYSA-N 1 2 244.269 2.981 20 0 BFADLO Oc1cc(F)cc(-c2cc[nH+]c3c2CCN3)c1 ZINC001241282534 982427494 /nfs/dbraw/zinc/42/74/94/982427494.db2.gz LVCYVQQLJDTZCF-UHFFFAOYSA-N 1 2 230.242 2.561 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnc2cccnc2c1 ZINC001241383274 982542744 /nfs/dbraw/zinc/54/27/44/982542744.db2.gz SFYWXMUOVLVGKO-ODCMHONUSA-N 1 2 211.268 2.506 20 0 BFADLO c1cnc2cc(-c3cc[nH+]c4c3CCN4)cnc2c1 ZINC001241385839 982544576 /nfs/dbraw/zinc/54/45/76/982544576.db2.gz KKUKMKNFGSKMEC-UHFFFAOYSA-N 1 2 248.289 2.660 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2ncccc2c1 ZINC001241399308 982551919 /nfs/dbraw/zinc/55/19/19/982551919.db2.gz SYYAEEKNYVLKQL-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO COc1ncc(-c2[nH+]ccc3[nH]ccc32)s1 ZINC001241410757 982557202 /nfs/dbraw/zinc/55/72/02/982557202.db2.gz VQYBCMLWUXDJGK-UHFFFAOYSA-N 1 2 231.280 2.695 20 0 BFADLO CNc1cc(-c2ccc([S@](C)=O)cc2)cc[nH+]1 ZINC001241485779 982640712 /nfs/dbraw/zinc/64/07/12/982640712.db2.gz ACIBCWJLLQMSCC-KRWDZBQOSA-N 1 2 246.335 2.528 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N)c2)cc2c[nH]nc21 ZINC001241515660 982673391 /nfs/dbraw/zinc/67/33/91/982673391.db2.gz SXKGJFWQTBJHSC-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(-c2ccc(N)cc2)c2[nH+]ccn2c1 ZINC001241542431 982736438 /nfs/dbraw/zinc/73/64/38/982736438.db2.gz DNUHRQGMQDYZRL-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1cc(-c2ccc(CO)cc2)c2[nH+]ccn2c1 ZINC001241558861 982786715 /nfs/dbraw/zinc/78/67/15/982786715.db2.gz RNOTZUNOQCCNCU-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(-c2ccc3cn(C)nc3c2)cc[nH+]1 ZINC001241603532 982844153 /nfs/dbraw/zinc/84/41/53/982844153.db2.gz XQIYWROGZZLXBG-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cn1cc2cc(-c3ccn4cc[nH+]c4c3)ccc2n1 ZINC001241607037 982846984 /nfs/dbraw/zinc/84/69/84/982846984.db2.gz RILVNJGDZDADCE-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1cc(-c2ccc3nn(C)cc3c2)c[nH+]c1N ZINC001241609371 982849108 /nfs/dbraw/zinc/84/91/08/982849108.db2.gz LLNMURLRGQIHQQ-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO COc1cc(-c2[nH+]ccc3[nH]ccc32)c(F)cn1 ZINC001241660837 982894315 /nfs/dbraw/zinc/89/43/15/982894315.db2.gz JZPGIFPWHNWRHV-UHFFFAOYSA-N 1 2 243.241 2.773 20 0 BFADLO Cc1cc(-c2ccc3[nH]nc(N)c3c2)cc(C)[nH+]1 ZINC001241717933 982987503 /nfs/dbraw/zinc/98/75/03/982987503.db2.gz VKVOFVMPDBCCQG-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Nc1cn2ccc(C3=CCCCC3)cc2[nH+]1 ZINC001241716906 982988011 /nfs/dbraw/zinc/98/80/11/982988011.db2.gz LNVGNNSGFXKPCA-UHFFFAOYSA-N 1 2 213.284 2.874 20 0 BFADLO Cc1cscc1-c1ccn2cc(N)[nH+]c2c1 ZINC001241729265 983017690 /nfs/dbraw/zinc/01/76/90/983017690.db2.gz IBUOXMKIOCUFMZ-UHFFFAOYSA-N 1 2 229.308 2.953 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)cc(C)c1N ZINC001241884273 983095402 /nfs/dbraw/zinc/09/54/02/983095402.db2.gz XOJYGAJDIFBXHZ-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cnn(C2CC2)c1 ZINC001241906779 983119439 /nfs/dbraw/zinc/11/94/39/983119439.db2.gz OLFBFERMACUBJW-UHFFFAOYSA-N 1 2 242.326 2.654 20 0 BFADLO CCO[C@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001354089367 983145893 /nfs/dbraw/zinc/14/58/93/983145893.db2.gz JKZPQGXZRCPRNY-ZDUSSCGKSA-N 1 2 234.343 2.649 20 0 BFADLO COc1ccc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201285854 983160844 /nfs/dbraw/zinc/16/08/44/983160844.db2.gz QZWNJDIMONLSRM-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO CN(c1ccc(N)[nH+]c1)c1cc(Cl)ccc1N ZINC001201286214 983163708 /nfs/dbraw/zinc/16/37/08/983163708.db2.gz ZIIHABUOHFATGK-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO Cc1nc2c(cccc2Nc2ccc(N)[nH+]c2)o1 ZINC001201286981 983164355 /nfs/dbraw/zinc/16/43/55/983164355.db2.gz LWFJVOKJFUFDMH-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Cc1c(-c2ccc3n[nH]nc3c2)ccc2[nH+]ccn21 ZINC001241943339 983164711 /nfs/dbraw/zinc/16/47/11/983164711.db2.gz INRHUQIZAWYLAJ-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1nc2ccc(Nc3ccc(N)[nH+]c3)cc2o1 ZINC001201286857 983164808 /nfs/dbraw/zinc/16/48/08/983164808.db2.gz DRYJPOGXIOTNSG-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1OC(F)F ZINC001241951866 983166894 /nfs/dbraw/zinc/16/68/94/983166894.db2.gz LBJQDBSOXSSYJN-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO Nc1ccc(Nc2cc(O)cc(Cl)c2)c[nH+]1 ZINC001201291845 983168743 /nfs/dbraw/zinc/16/87/43/983168743.db2.gz FNONAIBWOHHHQS-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO CC(C)(C)c1nsc(Nc2ccc(N)[nH+]c2)n1 ZINC001201272085 983172108 /nfs/dbraw/zinc/17/21/08/983172108.db2.gz IHZMZGQRXWPMSA-UHFFFAOYSA-N 1 2 249.343 2.556 20 0 BFADLO Cc1cc(N)c(Cl)cc1Nc1ccc(N)[nH+]c1 ZINC001201293250 983175680 /nfs/dbraw/zinc/17/56/80/983175680.db2.gz YWQBZUUGBRFOLI-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO Cc1cc(Cl)nc(Nc2ccc(N)[nH+]c2)c1 ZINC001201276046 983176240 /nfs/dbraw/zinc/17/62/40/983176240.db2.gz PHBJXMYRWBKOQC-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cc(F)cc(N2CCS[C@H](C)CC2)[nH+]1 ZINC001354177810 983180142 /nfs/dbraw/zinc/18/01/42/983180142.db2.gz KCJYXRMUMZVHKC-SNVBAGLBSA-N 1 2 240.347 2.861 20 0 BFADLO Cc1cc(-c2ccc3nnn(C)c3c2)cc(C)[nH+]1 ZINC001241992560 983181453 /nfs/dbraw/zinc/18/14/53/983181453.db2.gz NVKFLKHSOUDIRJ-UHFFFAOYSA-N 1 2 238.294 2.647 20 0 BFADLO CCOc1cc[nH+]cc1NC1=CCSCC1 ZINC001201332357 983182626 /nfs/dbraw/zinc/18/26/26/983182626.db2.gz OIFYQDVEQSXJPP-UHFFFAOYSA-N 1 2 236.340 2.913 20 0 BFADLO CCn1cc(-c2cc(C)[nH+]c(C)c2)ccc1=O ZINC001241992933 983188023 /nfs/dbraw/zinc/18/80/23/983188023.db2.gz YTKJOPBUQIQQPI-UHFFFAOYSA-N 1 2 228.295 2.547 20 0 BFADLO c1c[nH+]c(-c2ccc(C3=CCOCC3)cc2)[nH]1 ZINC001242014589 983212115 /nfs/dbraw/zinc/21/21/15/983212115.db2.gz OGDRNOSPKKSIHT-UHFFFAOYSA-N 1 2 226.279 2.880 20 0 BFADLO c1nc2c(s1)C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201430135 983228776 /nfs/dbraw/zinc/22/87/76/983228776.db2.gz ZFSZBQGLRGBTRO-SNVBAGLBSA-N 1 2 220.341 2.815 20 0 BFADLO Sc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001242021303 983230604 /nfs/dbraw/zinc/23/06/04/983230604.db2.gz MHOWUCCGURQZBQ-NEPJUHHUSA-N 1 2 217.337 2.883 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2c(N)cnn2C)cc1 ZINC001201489310 983257199 /nfs/dbraw/zinc/25/71/99/983257199.db2.gz NKMQLOYEAYBPOM-UHFFFAOYSA-N 1 2 245.330 2.566 20 0 BFADLO COc1ccncc1-c1cn2cc[nH+]c2cc1C ZINC001242056924 983265380 /nfs/dbraw/zinc/26/53/80/983265380.db2.gz FSIPFLXIURVDPF-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCNc1ccc(Nc2nc(C)ncc2C)c[nH+]1 ZINC001354485867 983313500 /nfs/dbraw/zinc/31/35/00/983313500.db2.gz RLVQMTCICPBDOP-UHFFFAOYSA-N 1 2 243.314 2.664 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccnc1C(C)C ZINC001242077996 983325109 /nfs/dbraw/zinc/32/51/09/983325109.db2.gz OJOUWFNGSGMDHJ-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncccc1OC(C)C ZINC001242077588 983325706 /nfs/dbraw/zinc/32/57/06/983325706.db2.gz GHAMLTRYKSIADL-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Cc1noc(C)c1-c1cc(C)c2[nH+]ccn2c1 ZINC001242106097 983349669 /nfs/dbraw/zinc/34/96/69/983349669.db2.gz CYVLWMXPGCNTGG-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(O)c2)c(C)c1 ZINC001201632906 983363176 /nfs/dbraw/zinc/36/31/76/983363176.db2.gz MQHOOWBDNPXYNN-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CC(C)CC[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201613301 983373248 /nfs/dbraw/zinc/37/32/48/983373248.db2.gz ASMWCDPLAOZEHG-JTQLQIEISA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)CC[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201613301 983373254 /nfs/dbraw/zinc/37/32/54/983373254.db2.gz ASMWCDPLAOZEHG-JTQLQIEISA-N 1 2 223.282 2.959 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)cc1O ZINC001242173561 983390031 /nfs/dbraw/zinc/39/00/31/983390031.db2.gz HXEXVLLUMKBQNA-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO CSCCC[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201682040 983393417 /nfs/dbraw/zinc/39/34/17/983393417.db2.gz LWZVICXPTGAIRY-VIFPVBQESA-N 1 2 241.322 2.666 20 0 BFADLO CSCCC[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201682040 983393420 /nfs/dbraw/zinc/39/34/20/983393420.db2.gz LWZVICXPTGAIRY-VIFPVBQESA-N 1 2 241.322 2.666 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CCCCC1 ZINC001355035009 983398643 /nfs/dbraw/zinc/39/86/43/983398643.db2.gz IZDPORUMQLUVHO-UHFFFAOYSA-N 1 2 244.338 2.949 20 0 BFADLO Oc1cc(F)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001242219692 983422187 /nfs/dbraw/zinc/42/21/87/983422187.db2.gz LXWYQXQESXSZOU-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO FC(F)n1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001201732593 983470734 /nfs/dbraw/zinc/47/07/34/983470734.db2.gz PDDPAWXSZJMPHN-UHFFFAOYSA-N 1 2 249.224 2.670 20 0 BFADLO Cc1c(F)cc(-c2c[nH+]cn2C)cc1F ZINC001242286710 983512774 /nfs/dbraw/zinc/51/27/74/983512774.db2.gz IFTZVAMKEFJILS-UHFFFAOYSA-N 1 2 208.211 2.674 20 0 BFADLO CC(=O)c1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001242399327 983682102 /nfs/dbraw/zinc/68/21/02/983682102.db2.gz IFYLNOCTICZITO-UHFFFAOYSA-N 1 2 237.262 2.599 20 0 BFADLO Cc1ncc(-c2ccc3[nH+]ccn3c2C)cc1N ZINC001242411739 983719400 /nfs/dbraw/zinc/71/94/00/983719400.db2.gz ROQHDQISBVIBJV-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO C[C@H]1CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000379822235 983757519 /nfs/dbraw/zinc/75/75/19/983757519.db2.gz TUTNAWMGJNDQKJ-WCQYABFASA-N 1 2 231.343 2.892 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1c[nH]c2c1cccc2F ZINC001137051091 983777394 /nfs/dbraw/zinc/77/73/94/983777394.db2.gz DXROQYHSBKKNFJ-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1c[nH]c2c1cccc2F ZINC001137051091 983777397 /nfs/dbraw/zinc/77/73/97/983777397.db2.gz DXROQYHSBKKNFJ-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO Cc1ccc(-c2ccc3ncncc3c2)[nH+]c1N ZINC001242511421 983834317 /nfs/dbraw/zinc/83/43/17/983834317.db2.gz OMUVWUGBZMQUDD-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CCC[C@@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252777724 983881286 /nfs/dbraw/zinc/88/12/86/983881286.db2.gz DGYQJOWDRDOFQE-LLVKDONJSA-N 1 2 222.332 2.525 20 0 BFADLO c1cn2c(cccc2-c2cccc3c2OCO3)[nH+]1 ZINC001242588192 983899749 /nfs/dbraw/zinc/89/97/49/983899749.db2.gz RUSQLYAMCPNQMN-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO CN(C)c1cc(-c2ccc3ocnc3c2)cc[nH+]1 ZINC001242596695 983929207 /nfs/dbraw/zinc/92/92/07/983929207.db2.gz UGSXGGHACXDIME-UHFFFAOYSA-N 1 2 239.278 2.956 20 0 BFADLO Clc1cnc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)s1 ZINC001137109988 983946831 /nfs/dbraw/zinc/94/68/31/983946831.db2.gz DUZBMPGFENPFOX-JGVFFNPUSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1cnc(C[N@H+]2C[C@H]3CC[C@@H]2C3)s1 ZINC001137109988 983946839 /nfs/dbraw/zinc/94/68/39/983946839.db2.gz DUZBMPGFENPFOX-JGVFFNPUSA-N 1 2 228.748 2.781 20 0 BFADLO Cc1oncc1-c1cn2cc[nH+]c2cc1C ZINC001242603120 983955087 /nfs/dbraw/zinc/95/50/87/983955087.db2.gz RYILUQUCRZTDNV-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CC(=O)c1cc(-c2cccc3[nH+]ccn32)ccn1 ZINC001242610962 983970595 /nfs/dbraw/zinc/97/05/95/983970595.db2.gz ZIGOLIAANBSHSQ-UHFFFAOYSA-N 1 2 237.262 2.599 20 0 BFADLO CC(=O)c1cc(-c2c(C)cc[nH+]c2C)ccn1 ZINC001242611206 983979377 /nfs/dbraw/zinc/97/93/77/983979377.db2.gz NEVZHTUTLCCJIK-UHFFFAOYSA-N 1 2 226.279 2.963 20 0 BFADLO Clc1ccc(C[NH+]2CC3(CCC3)C2)cn1 ZINC001137162667 984009613 /nfs/dbraw/zinc/00/96/13/984009613.db2.gz ABXHSYAJSKOAAD-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO CNc1cc(-c2ccc([C@@H](C)O)cc2)cc[nH+]1 ZINC001242648891 984021635 /nfs/dbraw/zinc/02/16/35/984021635.db2.gz MQOINQIAFKNQPE-SNVBAGLBSA-N 1 2 228.295 2.844 20 0 BFADLO CCc1cccc(C)c1-c1c[nH+]cn1C ZINC001242816031 984180355 /nfs/dbraw/zinc/18/03/55/984180355.db2.gz HSMNZAICQOOJKM-UHFFFAOYSA-N 1 2 200.285 2.958 20 0 BFADLO CCCn1nccc1-c1ccc2[nH+]ccn2c1C ZINC001242845575 984195091 /nfs/dbraw/zinc/19/50/91/984195091.db2.gz ADUAFRRIAVUANG-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1c[nH+]c(-c2cccc(S)c2)cc1N ZINC001242865293 984209649 /nfs/dbraw/zinc/20/96/49/984209649.db2.gz ZEMZXJDBPBUATN-UHFFFAOYSA-N 1 2 216.309 2.928 20 0 BFADLO Cc1cc[nH+]c(Nc2cnc(F)cc2C)c1 ZINC001212811737 984222674 /nfs/dbraw/zinc/22/26/74/984222674.db2.gz HVYIMNURTUFDHR-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc(-c2cc(N(C)C)cc[nH+]2)nc1 ZINC001242903847 984264098 /nfs/dbraw/zinc/26/40/98/984264098.db2.gz SWFPIKOVAZSBMY-UHFFFAOYSA-N 1 2 213.284 2.518 20 0 BFADLO Cc1ccc(-c2cccc3[nH+]ccn32)nc1 ZINC001242905383 984271238 /nfs/dbraw/zinc/27/12/38/984271238.db2.gz RSRXVQSFRLSEEG-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)ncc1C ZINC001212847645 984282317 /nfs/dbraw/zinc/28/23/17/984282317.db2.gz SMBGIIHXSXXLDM-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CSc1cncc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001242950343 984313519 /nfs/dbraw/zinc/31/35/19/984313519.db2.gz DOLHYIDGSSPRLF-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO CN(C)c1cc(-c2ccc(F)c(O)c2)cc[nH+]1 ZINC001243048152 984395852 /nfs/dbraw/zinc/39/58/52/984395852.db2.gz IOEULSDXNYACOF-UHFFFAOYSA-N 1 2 232.258 2.659 20 0 BFADLO Cc1ccc2[nH]ccc2c1-c1c[nH+]cn1C ZINC001243068834 984482798 /nfs/dbraw/zinc/48/27/98/984482798.db2.gz HWLMKJIWSKIWQI-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CC(C)C(=O)Nc1cccc(-c2c[nH+]cn2C)c1 ZINC001243067761 984483760 /nfs/dbraw/zinc/48/37/60/984483760.db2.gz PGWSHCGBTVZORZ-UHFFFAOYSA-N 1 2 243.310 2.682 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-n2cccc2)c1 ZINC001243068508 984488380 /nfs/dbraw/zinc/48/83/80/984488380.db2.gz BEOJHNZSOMGKMS-UHFFFAOYSA-N 1 2 223.279 2.878 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cc(N)ccc2c1 ZINC001243071018 984499816 /nfs/dbraw/zinc/49/98/16/984499816.db2.gz FAPBGQBQKHDWIF-UHFFFAOYSA-N 1 2 223.279 2.823 20 0 BFADLO COc1cccc2ncc(-c3c[nH+]cn3C)cc21 ZINC001243071564 984500264 /nfs/dbraw/zinc/50/02/64/984500264.db2.gz VTWFJEUHUXHOLS-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO COc1cnccc1-c1cccc2[nH+]c(C)cn21 ZINC001243076095 984517041 /nfs/dbraw/zinc/51/70/41/984517041.db2.gz WUHJZTQBCIHJFO-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO OCc1cccc(-c2cc3[nH]ccc3c[nH+]2)c1F ZINC001243137657 984594470 /nfs/dbraw/zinc/59/44/70/984594470.db2.gz LEYVAHTWCGDTMD-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1O ZINC001243233559 984780191 /nfs/dbraw/zinc/78/01/91/984780191.db2.gz PREMJUMIUJADQO-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO COc1c(F)c(F)ccc1-c1ccc[nH+]c1N ZINC001243302954 984817200 /nfs/dbraw/zinc/81/72/00/984817200.db2.gz QIFCCEKNSNECSN-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Cc1ncc(-c2c[nH+]c(N(C)C)cc2C)s1 ZINC001243378541 984858624 /nfs/dbraw/zinc/85/86/24/984858624.db2.gz DDXOOFZVWXSOBG-UHFFFAOYSA-N 1 2 233.340 2.888 20 0 BFADLO Nc1cn2ccc(-c3ccncc3Cl)cc2[nH+]1 ZINC001243385002 984872116 /nfs/dbraw/zinc/87/21/16/984872116.db2.gz LXACWAQCZHDAIR-UHFFFAOYSA-N 1 2 244.685 2.632 20 0 BFADLO Nc1[nH+]cccc1-c1cc(F)cc2cc[nH]c21 ZINC001243474298 985021729 /nfs/dbraw/zinc/02/17/29/985021729.db2.gz KDKVGXGMAXGSJU-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1[nH+]cccc1-c1cnc(-c2ccccc2)nc1 ZINC001243474026 985024524 /nfs/dbraw/zinc/02/45/24/985024524.db2.gz HXKYIPCLPWZLQQ-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(CF)cc1 ZINC001243473585 985025155 /nfs/dbraw/zinc/02/51/55/985025155.db2.gz CKMAICGADAVQJQ-UHFFFAOYSA-N 1 2 202.232 2.800 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(C(F)F)nc1 ZINC001243473591 985026103 /nfs/dbraw/zinc/02/61/03/985026103.db2.gz CMMWRWRVLNLWGI-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO CC(=O)Nc1ccc(C)c(-c2ccc[nH+]c2N)c1 ZINC001243475397 985029215 /nfs/dbraw/zinc/02/92/15/985029215.db2.gz YGVOAOBZJVNLSR-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)c2[nH]ccc21 ZINC001243475402 985029648 /nfs/dbraw/zinc/02/96/48/985029648.db2.gz YJKQCBVBJOEYDE-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(-c2ncco2)c1 ZINC001243475410 985032222 /nfs/dbraw/zinc/03/22/22/985032222.db2.gz YNPVAXDOYRGURJ-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO COc1cccc(-c2ccc[nH+]c2N)c1C ZINC001243475375 985032447 /nfs/dbraw/zinc/03/24/47/985032447.db2.gz XUBCLSVXNSVXHU-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1c(F)c(C)ccc1-c1ccc[nH+]c1N ZINC001243477866 985034389 /nfs/dbraw/zinc/03/43/89/985034389.db2.gz QDAYASQLNGWVRI-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1c(-c2ccc[nH+]c2N)cncc1C1CC1 ZINC001243477219 985040401 /nfs/dbraw/zinc/04/04/01/985040401.db2.gz MZQJUQIHIKOHOA-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO COCc1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243478001 985042262 /nfs/dbraw/zinc/04/22/62/985042262.db2.gz WHKAXUQDPIAVCD-UHFFFAOYSA-N 1 2 232.258 2.616 20 0 BFADLO COc1cc(C)c(C)cc1-c1ccc[nH+]c1N ZINC001243478159 985043385 /nfs/dbraw/zinc/04/33/85/985043385.db2.gz UQLUTCQUNREVQO-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Oc1c(F)cc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001243503262 985058138 /nfs/dbraw/zinc/05/81/38/985058138.db2.gz TZNMFOWWURVXRF-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CCOC(=O)Cc1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001243524854 985063446 /nfs/dbraw/zinc/06/34/46/985063446.db2.gz YTZNPJNYDHUJME-BGNLXQKFSA-N 1 2 245.322 2.668 20 0 BFADLO Oc1cccc(-c2c[nH+]c3c(c2)CCCN3)c1F ZINC001243546995 985101070 /nfs/dbraw/zinc/10/10/70/985101070.db2.gz XJIMKIPCUKDAQI-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO CCC1(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)CCC1 ZINC001456338456 985132535 /nfs/dbraw/zinc/13/25/35/985132535.db2.gz BGVOYMXQTGBTSZ-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO CCC1(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)CCC1 ZINC001456338456 985132543 /nfs/dbraw/zinc/13/25/43/985132543.db2.gz BGVOYMXQTGBTSZ-UHFFFAOYSA-N 1 2 249.358 2.730 20 0 BFADLO CC/C(C)=C/C(=O)Nc1cccc2[nH+]ccn21 ZINC001456367744 985138293 /nfs/dbraw/zinc/13/82/93/985138293.db2.gz BNMDEAOZOYMYQT-MDZDMXLPSA-N 1 2 229.283 2.629 20 0 BFADLO c1cnc(C2CC2)c(-c2cc[nH+]c3c2CCN3)c1 ZINC001243692078 985212165 /nfs/dbraw/zinc/21/21/65/985212165.db2.gz IDWDONLURIFAOC-UHFFFAOYSA-N 1 2 237.306 2.632 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(CO)c1Cl ZINC001243708050 985240617 /nfs/dbraw/zinc/24/06/17/985240617.db2.gz QNYLFELQSFIMPH-DDEWIXKASA-N 1 2 223.703 2.708 20 0 BFADLO COc1cc[nH+]cc1C1=CC[C@H](OC)CC1 ZINC001243804603 985379488 /nfs/dbraw/zinc/37/94/88/985379488.db2.gz DHDNUEQPPXZGNE-NSHDSACASA-N 1 2 219.284 2.673 20 0 BFADLO Cn1c[nH+]cc1CSCc1ccccc1F ZINC001459311404 985441699 /nfs/dbraw/zinc/44/16/99/985441699.db2.gz JNPQBCNSNVBLTJ-UHFFFAOYSA-N 1 2 236.315 2.993 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C2CC2)cnc1F ZINC001243861736 985504153 /nfs/dbraw/zinc/50/41/53/985504153.db2.gz VJGGDWOTPKSITO-YGQDEOHPSA-N 1 2 218.275 2.974 20 0 BFADLO Cc1nc2ccccc2nc1C1=C[NH2+]CCC1 ZINC001243948255 985632364 /nfs/dbraw/zinc/63/23/64/985632364.db2.gz ZJJQYGHCDOKLSZ-UHFFFAOYSA-N 1 2 225.295 2.663 20 0 BFADLO FC(F)(F)Oc1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243949997 985642334 /nfs/dbraw/zinc/64/23/34/985642334.db2.gz RVIUPCBBOFMFOR-UHFFFAOYSA-N 1 2 244.216 2.705 20 0 BFADLO Cc1[nH]c(C2=C[NH2+]CCC2)cc2nccc1-2 ZINC001243949852 985643141 /nfs/dbraw/zinc/64/31/41/985643141.db2.gz RPZNLCSCXPZVRZ-UHFFFAOYSA-N 1 2 213.284 2.596 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)CCCC2=O ZINC001243995961 985730115 /nfs/dbraw/zinc/73/01/15/985730115.db2.gz MXTYIFMWDPHKSM-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO Oc1c(F)cc(-c2cccn3c[nH+]cc23)cc1F ZINC001244095411 985810523 /nfs/dbraw/zinc/81/05/23/985810523.db2.gz APGZDJCXLJSDSN-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CO[C@H]1CC=C(Nc2cc(C)cc[nH+]2)CC1 ZINC001212871857 985814200 /nfs/dbraw/zinc/81/42/00/985814200.db2.gz DQKGPKWWKFYWHR-LBPRGKRZSA-N 1 2 218.300 2.885 20 0 BFADLO CO[C@H]1CC=C(Nc2cccc3[nH+]ccn32)CC1 ZINC001212872350 985818668 /nfs/dbraw/zinc/81/86/68/985818668.db2.gz UWSDNUPAFKQQSH-LBPRGKRZSA-N 1 2 243.310 2.829 20 0 BFADLO CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001460292136 985829544 /nfs/dbraw/zinc/82/95/44/985829544.db2.gz MMTSAGKVIVJHAJ-GXFFZTMASA-N 1 2 223.291 2.607 20 0 BFADLO CC[N@H+]1CCO[C@@H](c2cccc(F)c2)[C@@H]1C ZINC001460292136 985829547 /nfs/dbraw/zinc/82/95/47/985829547.db2.gz MMTSAGKVIVJHAJ-GXFFZTMASA-N 1 2 223.291 2.607 20 0 BFADLO COCc1ccc(C)c(-c2c[nH+]cn2C)c1 ZINC001244172046 985876766 /nfs/dbraw/zinc/87/67/66/985876766.db2.gz LSKXKYCXMGUUAX-UHFFFAOYSA-N 1 2 216.284 2.542 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(CCO)cc1 ZINC001212926743 985933243 /nfs/dbraw/zinc/93/32/43/985933243.db2.gz SKDVDSIHARBBOV-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO CC(C)c1cc(-c2c[nH+]cn2C)ccc1N ZINC001244321792 985947323 /nfs/dbraw/zinc/94/73/23/985947323.db2.gz XMMUMIQEGCWUPI-UHFFFAOYSA-N 1 2 215.300 2.793 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1Nc1cnc(N)nc1 ZINC001212962121 985969653 /nfs/dbraw/zinc/96/96/53/985969653.db2.gz BSWNNGBCDWQJHL-UHFFFAOYSA-N 1 2 243.314 2.629 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)c(N)c1 ZINC001244393069 986037309 /nfs/dbraw/zinc/03/73/09/986037309.db2.gz VAGHGRLRTROHKV-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC001461390774 986051491 /nfs/dbraw/zinc/05/14/91/986051491.db2.gz QMKZHTVWPMZAAB-XHDPSFHLSA-N 1 2 241.338 2.823 20 0 BFADLO COCOc1ccc(C)c(-c2cc[nH+]c(N)c2)c1 ZINC001244455079 986118847 /nfs/dbraw/zinc/11/88/47/986118847.db2.gz BVIXPVCIHLQAHZ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Nc1cc[nH+]c(-c2ccc(Cl)cc2O)c1 ZINC001244465831 986124305 /nfs/dbraw/zinc/12/43/05/986124305.db2.gz FXSGWDUMGXCLDR-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Cc1cc(-c2ccc(N)[nH+]c2)cc(Cl)c1O ZINC001244537553 986230909 /nfs/dbraw/zinc/23/09/09/986230909.db2.gz NAEFJEZNDIPJKO-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCn1cnc(Cl)c1C[N@H+]1CC=C(C)CC1 ZINC001461954734 986244770 /nfs/dbraw/zinc/24/47/70/986244770.db2.gz LEZZVISSOFUIFR-UHFFFAOYSA-N 1 2 239.750 2.708 20 0 BFADLO CCn1cnc(Cl)c1C[N@@H+]1CC=C(C)CC1 ZINC001461954734 986244777 /nfs/dbraw/zinc/24/47/77/986244777.db2.gz LEZZVISSOFUIFR-UHFFFAOYSA-N 1 2 239.750 2.708 20 0 BFADLO CCc1cc(-c2cc[nH+]c(NC)c2)ccc1CO ZINC001244646753 986299701 /nfs/dbraw/zinc/29/97/01/986299701.db2.gz GPPMOGDCRIVMCS-UHFFFAOYSA-N 1 2 242.322 2.845 20 0 BFADLO CCOc1ncc(-c2ccc(C)c(N)[nH+]2)cc1C ZINC001244681552 986301396 /nfs/dbraw/zinc/30/13/96/986301396.db2.gz JQWAWLOUZQQSDN-UHFFFAOYSA-N 1 2 243.310 2.741 20 0 BFADLO COc1cc(-c2c(C)cc[nH+]c2C)ccc1CO ZINC001244668500 986302843 /nfs/dbraw/zinc/30/28/43/986302843.db2.gz OBUXPRUZJNAITD-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000382123410 986332793 /nfs/dbraw/zinc/33/27/93/986332793.db2.gz NFVARXMZJQVWQX-LLVKDONJSA-N 1 2 222.313 2.977 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc(O)c(CO)c1 ZINC001244774124 986333809 /nfs/dbraw/zinc/33/38/09/986333809.db2.gz DNMPAMMAQQVDBU-UHFFFAOYSA-N 1 2 229.279 2.563 20 0 BFADLO CNc1cc(F)cc(-c2cc[nH+]c(N)c2)c1 ZINC001244825010 986360067 /nfs/dbraw/zinc/36/00/67/986360067.db2.gz CLMZUWCOFNYKNR-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1NC[C@H](O)C(C)C ZINC001253757940 986383950 /nfs/dbraw/zinc/38/39/50/986383950.db2.gz SRMRKWNSLQUVOJ-LBPRGKRZSA-N 1 2 236.359 2.942 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1F)c1cnccn1 ZINC001462485033 986405761 /nfs/dbraw/zinc/40/57/61/986405761.db2.gz YKBLRAPXWQWIBH-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO COc1ccc(-c2c(C)cc[nH+]c2C)cc1N ZINC001244895465 986423903 /nfs/dbraw/zinc/42/39/03/986423903.db2.gz MIOUSTPIBKVIRX-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CNc1cc(-c2ccc3c(c2)COC3)cc[nH+]1 ZINC001244971986 986548898 /nfs/dbraw/zinc/54/88/98/986548898.db2.gz BFOQPRWDNVOYON-UHFFFAOYSA-N 1 2 226.279 2.821 20 0 BFADLO CNc1cc(-c2cnc3cc[nH]c3c2)cc[nH+]1 ZINC001244973354 986555016 /nfs/dbraw/zinc/55/50/16/986555016.db2.gz NKAKUPJEJRAYEU-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO CNc1cc(-c2ccnc3[nH]c(C)cc32)cc[nH+]1 ZINC001244973789 986556902 /nfs/dbraw/zinc/55/69/02/986556902.db2.gz RBRWSABYOIGYCF-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO CCc1cc(-c2cc[nH+]c(NC)c2)ccn1 ZINC001244975790 986560285 /nfs/dbraw/zinc/56/02/85/986560285.db2.gz CIWWGUBWRVOSLW-UHFFFAOYSA-N 1 2 213.284 2.748 20 0 BFADLO CNc1cc(-c2cnc3ccn(C)c3c2)cc[nH+]1 ZINC001244975255 986561828 /nfs/dbraw/zinc/56/18/28/986561828.db2.gz FRPYMGLLXPIJLV-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO CNc1cc(-c2cc(F)ccc2N(C)C)cc[nH+]1 ZINC001244977866 986565894 /nfs/dbraw/zinc/56/58/94/986565894.db2.gz KJXMKYNWXQNEAY-UHFFFAOYSA-N 1 2 245.301 2.995 20 0 BFADLO Nc1cc(-c2cccc(Cl)c2N)cc[nH+]1 ZINC001245178627 986717499 /nfs/dbraw/zinc/71/74/99/986717499.db2.gz MWLCULHICJWEKY-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO Cn1cc(-c2cccc3[nH+]ccn32)c2ccncc21 ZINC001245491115 986869702 /nfs/dbraw/zinc/86/97/02/986869702.db2.gz XDGCNGMBSPAWFY-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)ccc1N ZINC001245500099 986879179 /nfs/dbraw/zinc/87/91/79/986879179.db2.gz JMYRZRPSJFZVLQ-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1cc(-c2cc(C3CC3)ccn2)c[nH+]c1N ZINC001245534942 986911457 /nfs/dbraw/zinc/91/14/57/986911457.db2.gz BLTIJVBFJZZSKJ-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Cc1cc(-c2ncccc2C(F)F)c[nH+]c1N ZINC001245538427 986917039 /nfs/dbraw/zinc/91/70/39/986917039.db2.gz OGPFOJGKXHOHML-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO Cc1cn2cc(-c3c[nH+]c(N)c(C)c3)ccc2n1 ZINC001245537550 986919861 /nfs/dbraw/zinc/91/98/61/986919861.db2.gz FVTCCKVALCGLQR-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1cc(-c2ccc3c(c2)NCCC3)c[nH+]c1N ZINC001245537913 986920170 /nfs/dbraw/zinc/92/01/70/986920170.db2.gz HFSZDALFDBZITH-UHFFFAOYSA-N 1 2 239.322 2.997 20 0 BFADLO Cc1cnc(-c2c[nH+]c(N)c(C)c2)c2[nH]ccc21 ZINC001245537634 986921873 /nfs/dbraw/zinc/92/18/73/986921873.db2.gz FIUNXUGLMAXYCU-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1ccnc(C)c1-c1c[nH+]c(N)c(C)c1 ZINC001245539131 986927411 /nfs/dbraw/zinc/92/74/11/986927411.db2.gz RCYIPJKUPNOQFD-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2ccnc(C3CC3)c2)c[nH+]c1N ZINC001245539685 986927954 /nfs/dbraw/zinc/92/79/54/986927954.db2.gz IUGAYLYUSYZFIC-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Cc1cc(-c2cnc(N)c(Cl)c2)cc(C)[nH+]1 ZINC001245563662 986961704 /nfs/dbraw/zinc/96/17/04/986961704.db2.gz KLRRNQKUVZDPNL-UHFFFAOYSA-N 1 2 233.702 2.996 20 0 BFADLO COc1ccc2[nH]c(-c3ccc[nH+]c3N)cc2c1 ZINC001245593202 986981331 /nfs/dbraw/zinc/98/13/31/986981331.db2.gz XAMXZGFYKVPHSG-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(O)c(F)c(F)c1F ZINC001245636860 987014413 /nfs/dbraw/zinc/01/44/13/987014413.db2.gz BOXYAVWIYVTXBQ-PIXFVPMGSA-N 1 2 229.201 2.685 20 0 BFADLO Nc1cc[nH+]c(-c2cc(Cl)c(O)cc2F)c1 ZINC001245667653 987052379 /nfs/dbraw/zinc/05/23/79/987052379.db2.gz GAMOFRMNYHLMEY-UHFFFAOYSA-N 1 2 238.649 2.829 20 0 BFADLO Cc1cc(-c2cc(C)c(CO)cc2C)c[nH+]c1N ZINC001245698066 987064283 /nfs/dbraw/zinc/06/42/83/987064283.db2.gz FCOCZIQQUTTYJP-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Cc1cc(-c2ccc(Cl)nc2C)c[nH+]c1N ZINC001245774162 987084744 /nfs/dbraw/zinc/08/47/44/987084744.db2.gz QBKXULMXLQZDQZ-UHFFFAOYSA-N 1 2 233.702 2.996 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(CO)c(F)c1Cl ZINC001245879156 987097302 /nfs/dbraw/zinc/09/73/02/987097302.db2.gz AEPUSVCVNVWASZ-YALUOGEHSA-N 1 2 241.693 2.847 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@]2(C)C=CCC2)[nH+]1 ZINC001472093936 987177273 /nfs/dbraw/zinc/17/72/73/987177273.db2.gz BREQGPQVYMEKRY-CQSZACIVSA-N 1 2 247.342 2.506 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@]2(C)C=CCC2)c[nH+]1 ZINC001472093936 987177287 /nfs/dbraw/zinc/17/72/87/987177287.db2.gz BREQGPQVYMEKRY-CQSZACIVSA-N 1 2 247.342 2.506 20 0 BFADLO CC(C)(CC[N@@H+]1CCOCC(F)(F)C1)C1CC1 ZINC001473526237 987466622 /nfs/dbraw/zinc/46/66/22/987466622.db2.gz CYPDDXIRUUKTSW-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO CC(C)(CC[N@H+]1CCOCC(F)(F)C1)C1CC1 ZINC001473526237 987466627 /nfs/dbraw/zinc/46/66/27/987466627.db2.gz CYPDDXIRUUKTSW-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO CCCc1noc(C[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001116211686 987480539 /nfs/dbraw/zinc/48/05/39/987480539.db2.gz QJRDEHPYIGLAEK-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1noc(C[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001116211686 987480549 /nfs/dbraw/zinc/48/05/49/987480549.db2.gz QJRDEHPYIGLAEK-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001473614759 987506966 /nfs/dbraw/zinc/50/69/66/987506966.db2.gz IRRQUOVWRHQOSE-GHMZBOCLSA-N 1 2 249.383 2.790 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001473614759 987506959 /nfs/dbraw/zinc/50/69/59/987506959.db2.gz IRRQUOVWRHQOSE-GHMZBOCLSA-N 1 2 249.383 2.790 20 0 BFADLO Cc1ccc(CSCCn2cc[nH+]c2)nc1 ZINC001116482258 987598701 /nfs/dbraw/zinc/59/87/01/987598701.db2.gz LEODYRYNTVJGMV-UHFFFAOYSA-N 1 2 233.340 2.520 20 0 BFADLO Cc1ccncc1NCc1cccc2[nH+]ccn21 ZINC001474079474 987638819 /nfs/dbraw/zinc/63/88/19/987638819.db2.gz RYWZMKBGYUYWBK-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2ccccc2)n1 ZINC001474308505 987687319 /nfs/dbraw/zinc/68/73/19/987687319.db2.gz QHDSAUBALMPURI-UHFFFAOYSA-N 1 2 229.327 2.535 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2ccccc2)n1 ZINC001474308505 987687321 /nfs/dbraw/zinc/68/73/21/987687321.db2.gz QHDSAUBALMPURI-UHFFFAOYSA-N 1 2 229.327 2.535 20 0 BFADLO CCCn1c[nH+]cc1CN(C)Cc1ccoc1 ZINC001474362766 987700560 /nfs/dbraw/zinc/70/05/60/987700560.db2.gz WSNCVRHYEDYQDS-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CC(C)CC(CC(C)C)N[C@H]1C[NH2+]CC1(F)F ZINC001246466914 987825748 /nfs/dbraw/zinc/82/57/48/987825748.db2.gz XPRYMLOHYPKFSF-LBPRGKRZSA-N 1 2 248.361 2.644 20 0 BFADLO CCCCC(CCCC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246467713 987826049 /nfs/dbraw/zinc/82/60/49/987826049.db2.gz ZOQHMUPOMAAWCH-GFCCVEGCSA-N 1 2 248.361 2.932 20 0 BFADLO Nc1nc(NC/C=C\C2CC2)[nH+]c2ccccc12 ZINC001117741926 987886440 /nfs/dbraw/zinc/88/64/40/987886440.db2.gz JOKNHLMFTVMBFF-ARJAWSKDSA-N 1 2 240.310 2.590 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)[C@@H]1CCc2c1cccc2F ZINC001118557170 988439675 /nfs/dbraw/zinc/43/96/75/988439675.db2.gz CIALBGNGKAUSDR-CYBMUJFWSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)[C@@H]1CCc2c1cccc2F ZINC001118557170 988439677 /nfs/dbraw/zinc/43/96/77/988439677.db2.gz CIALBGNGKAUSDR-CYBMUJFWSA-N 1 2 245.301 2.668 20 0 BFADLO CCC1CCC([N@H+](Cc2nnc[nH]2)C2CC2)CC1 ZINC001118558700 988439699 /nfs/dbraw/zinc/43/96/99/988439699.db2.gz RCGPUIHQZAQOBQ-UHFFFAOYSA-N 1 2 248.374 2.738 20 0 BFADLO CCC1CCC([N@@H+](Cc2nnc[nH]2)C2CC2)CC1 ZINC001118558700 988439708 /nfs/dbraw/zinc/43/97/08/988439708.db2.gz RCGPUIHQZAQOBQ-UHFFFAOYSA-N 1 2 248.374 2.738 20 0 BFADLO N[C@H]1CC[N@@H+](C2CCCCCCC2)CC1(F)F ZINC001246838217 988542636 /nfs/dbraw/zinc/54/26/36/988542636.db2.gz UJSGNNANQPVLOM-LBPRGKRZSA-N 1 2 246.345 2.768 20 0 BFADLO N[C@H]1CC[N@H+](C2CCCCCCC2)CC1(F)F ZINC001246838217 988542647 /nfs/dbraw/zinc/54/26/47/988542647.db2.gz UJSGNNANQPVLOM-LBPRGKRZSA-N 1 2 246.345 2.768 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)no1 ZINC001324037880 988676334 /nfs/dbraw/zinc/67/63/34/988676334.db2.gz SFLUQYPYLVOGMX-NEPJUHHUSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)no1 ZINC001324037880 988676345 /nfs/dbraw/zinc/67/63/45/988676345.db2.gz SFLUQYPYLVOGMX-NEPJUHHUSA-N 1 2 249.358 2.644 20 0 BFADLO CN[C@H]1CC[N@@H+]1[C@@H](Cc1ccccc1)CC(C)C ZINC001246901240 988676656 /nfs/dbraw/zinc/67/66/56/988676656.db2.gz WMRWHOIAFSVJCG-HZPDHXFCSA-N 1 2 246.398 2.895 20 0 BFADLO CN[C@H]1CC[N@H+]1[C@@H](Cc1ccccc1)CC(C)C ZINC001246901240 988676663 /nfs/dbraw/zinc/67/66/63/988676663.db2.gz WMRWHOIAFSVJCG-HZPDHXFCSA-N 1 2 246.398 2.895 20 0 BFADLO Cc1cc(F)cc(N2CCC(C)CC2)[nH+]1 ZINC001515298338 989022769 /nfs/dbraw/zinc/02/27/69/989022769.db2.gz ADNPGKWFRJYPFC-UHFFFAOYSA-N 1 2 208.280 2.765 20 0 BFADLO CCc1ccc(N2CCS[C@@H](C)CC2)[nH+]c1 ZINC001515704061 989104350 /nfs/dbraw/zinc/10/43/50/989104350.db2.gz WPXAEIVOSBFZBM-NSHDSACASA-N 1 2 236.384 2.976 20 0 BFADLO c1cn2c(cccc2Nc2cc3cccnc3[nH]2)[nH+]1 ZINC001248694339 989128626 /nfs/dbraw/zinc/12/86/26/989128626.db2.gz HNQBTNUKKDWNRH-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ncc(C(F)(F)F)cc1F ZINC001248787334 989147464 /nfs/dbraw/zinc/14/74/64/989147464.db2.gz XSKXEDZSXWSDKW-SSDOTTSWSA-N 1 2 248.223 2.834 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ncc(C(F)(F)F)cc1F ZINC001248787334 989147470 /nfs/dbraw/zinc/14/74/70/989147470.db2.gz XSKXEDZSXWSDKW-SSDOTTSWSA-N 1 2 248.223 2.834 20 0 BFADLO Cc1cc(C[NH+]2CCC2)c(Cl)nc1C ZINC001248987742 989236286 /nfs/dbraw/zinc/23/62/86/989236286.db2.gz FKHOCZILURDFFJ-UHFFFAOYSA-N 1 2 210.708 2.558 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cc[nH]c(=O)c2)c(C)[nH+]1 ZINC001119632617 989268682 /nfs/dbraw/zinc/26/86/82/989268682.db2.gz WREHBVFVWYNIHL-JTQLQIEISA-N 1 2 243.310 2.972 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CCCC23COC3)c1 ZINC001249479334 989287383 /nfs/dbraw/zinc/28/73/83/989287383.db2.gz YHAKMEAXRFXZHF-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2CCCC23COC3)c1 ZINC001249479334 989287391 /nfs/dbraw/zinc/28/73/91/989287391.db2.gz YHAKMEAXRFXZHF-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO C[N@H+](CCF)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480675 989295765 /nfs/dbraw/zinc/29/57/65/989295765.db2.gz FNZWCCHIRNVCTO-UHFFFAOYSA-N 1 2 212.312 2.714 20 0 BFADLO C[N@@H+](CCF)Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480675 989295780 /nfs/dbraw/zinc/29/57/80/989295780.db2.gz FNZWCCHIRNVCTO-UHFFFAOYSA-N 1 2 212.312 2.714 20 0 BFADLO CC1(C)C[NH+](Cc2nc(C3CC3)cs2)C1 ZINC001249526407 989298014 /nfs/dbraw/zinc/29/80/14/989298014.db2.gz CVNXCTDKGNZNNR-UHFFFAOYSA-N 1 2 222.357 2.862 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CCCC3)ns1 ZINC001249567847 989304192 /nfs/dbraw/zinc/30/41/92/989304192.db2.gz JQHMFLZKUWBEIK-UHFFFAOYSA-N 1 2 222.357 2.828 20 0 BFADLO Cc1cc(C[NH+]2CCC(C(F)F)CC2)ns1 ZINC001249588811 989316562 /nfs/dbraw/zinc/31/65/62/989316562.db2.gz NLFAYBKMYLYCAW-UHFFFAOYSA-N 1 2 246.326 2.929 20 0 BFADLO CC(C)C[N@H+](Cc1cocn1)Cc1ccccn1 ZINC001119980460 989539937 /nfs/dbraw/zinc/53/99/37/989539937.db2.gz FTSZQCGAGRQBLS-UHFFFAOYSA-N 1 2 245.326 2.728 20 0 BFADLO CC(C)C[N@@H+](Cc1cocn1)Cc1ccccn1 ZINC001119980460 989539947 /nfs/dbraw/zinc/53/99/47/989539947.db2.gz FTSZQCGAGRQBLS-UHFFFAOYSA-N 1 2 245.326 2.728 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C1\CC[C@H](C)C1 ZINC001520441980 989561870 /nfs/dbraw/zinc/56/18/70/989561870.db2.gz MOTNYVRBAYNKAJ-WBOGTDJTSA-N 1 2 248.326 2.693 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2)C[C@H]1F ZINC001120038846 989570750 /nfs/dbraw/zinc/57/07/50/989570750.db2.gz ZGBQZXBOXBUOMH-JOYOIKCWSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2)C[C@H]1F ZINC001120038846 989570758 /nfs/dbraw/zinc/57/07/58/989570758.db2.gz ZGBQZXBOXBUOMH-JOYOIKCWSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001326630608 989637542 /nfs/dbraw/zinc/63/75/42/989637542.db2.gz BKVDQKAJLIVTJI-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](C(=O)N[C@@]1(C)CCCC[C@@H]1C)n1cc[nH+]c1 ZINC001326728719 989666807 /nfs/dbraw/zinc/66/68/07/989666807.db2.gz CEQXTTQSRIRMFY-SCRDCRAPSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@H](C)C2)[nH+]1 ZINC001120792482 989885332 /nfs/dbraw/zinc/88/53/32/989885332.db2.gz YGJVPXBJYZZSLF-VIFPVBQESA-N 1 2 208.280 2.765 20 0 BFADLO CCc1ccc(N(C)Cc2ccccn2)[nH+]c1 ZINC001120805029 989889049 /nfs/dbraw/zinc/88/90/49/989889049.db2.gz AYGUYIONIQCZFL-UHFFFAOYSA-N 1 2 227.311 2.675 20 0 BFADLO CCc1ccc(N(C)Cc2c(C)noc2C)[nH+]c1 ZINC001120881948 989944221 /nfs/dbraw/zinc/94/42/21/989944221.db2.gz NJEACRIMXZCONN-UHFFFAOYSA-N 1 2 245.326 2.885 20 0 BFADLO CC[C@H]1CN(c2cc(F)cc(C)[nH+]2)CCS1 ZINC001120901796 989944474 /nfs/dbraw/zinc/94/44/74/989944474.db2.gz UKZKDAJVLSDXLX-NSHDSACASA-N 1 2 240.347 2.861 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001121230935 990054139 /nfs/dbraw/zinc/05/41/39/990054139.db2.gz GQEKUYRMHQBNSV-SWLSCSKDSA-N 1 2 246.354 2.741 20 0 BFADLO CC(C)(COC(=O)[C@H]1CC=CCC1)n1cc[nH+]c1 ZINC001123057062 990499805 /nfs/dbraw/zinc/49/98/05/990499805.db2.gz YCLJYUUVNKPXLP-LBPRGKRZSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1ccccc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001537886148 990517690 /nfs/dbraw/zinc/51/76/90/990517690.db2.gz SZNBNRJWVFDTJM-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO CC/C=C(\F)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001542567884 990666709 /nfs/dbraw/zinc/66/67/09/990666709.db2.gz GEIXPRGGOBMNPO-WCIBSUBMSA-N 1 2 247.273 2.845 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1F ZINC001137673491 990837510 /nfs/dbraw/zinc/83/75/10/990837510.db2.gz FYURHZWAMKEOKA-LLVKDONJSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c1F ZINC001137673491 990837511 /nfs/dbraw/zinc/83/75/11/990837511.db2.gz FYURHZWAMKEOKA-LLVKDONJSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC(=O)C(C)(C)C2)c1F ZINC001137677295 990840240 /nfs/dbraw/zinc/84/02/40/990840240.db2.gz KUGRERSWMXUITB-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cccc(C[N@H+]2CCC(=O)C(C)(C)C2)c1F ZINC001137677295 990840243 /nfs/dbraw/zinc/84/02/43/990840243.db2.gz KUGRERSWMXUITB-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO CSCC[N@H+](C)Cc1scnc1Cl ZINC001137825048 990853489 /nfs/dbraw/zinc/85/34/89/990853489.db2.gz UQFCRXTUDNJGNF-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO CSCC[N@@H+](C)Cc1scnc1Cl ZINC001137825048 990853491 /nfs/dbraw/zinc/85/34/91/990853491.db2.gz UQFCRXTUDNJGNF-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO CCOc1cccc(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC001138095702 990881203 /nfs/dbraw/zinc/88/12/03/990881203.db2.gz AJXXWUYFAODNHS-GFCCVEGCSA-N 1 2 247.338 2.639 20 0 BFADLO CCOc1cccc(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC001138095702 990881204 /nfs/dbraw/zinc/88/12/04/990881204.db2.gz AJXXWUYFAODNHS-GFCCVEGCSA-N 1 2 247.338 2.639 20 0 BFADLO COc1cccc(F)c1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001138380174 990925903 /nfs/dbraw/zinc/92/59/03/990925903.db2.gz STLYVZOPLAJQLL-ZJUUUORDSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cccc(F)c1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001138380174 990925911 /nfs/dbraw/zinc/92/59/11/990925911.db2.gz STLYVZOPLAJQLL-ZJUUUORDSA-N 1 2 241.281 2.767 20 0 BFADLO Cc1ccc2[nH]c(C[N@@H+]3CCO[C@@H](C)C3)cc2c1 ZINC001138418258 990945828 /nfs/dbraw/zinc/94/58/28/990945828.db2.gz DSCLYQIEXCJEBG-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2[nH]c(C[N@H+]3CCO[C@@H](C)C3)cc2c1 ZINC001138418258 990945835 /nfs/dbraw/zinc/94/58/35/990945835.db2.gz DSCLYQIEXCJEBG-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001258084928 990989277 /nfs/dbraw/zinc/98/92/77/990989277.db2.gz CZBYQBPVAJEGQO-RYUDHWBXSA-N 1 2 247.329 2.823 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001258084928 990989290 /nfs/dbraw/zinc/98/92/90/990989290.db2.gz CZBYQBPVAJEGQO-RYUDHWBXSA-N 1 2 247.329 2.823 20 0 BFADLO CCCCc1ccc(C[NH+]2CC(OC)C2)s1 ZINC001138753391 991036436 /nfs/dbraw/zinc/03/64/36/991036436.db2.gz QAXVLUHRCIYVHX-UHFFFAOYSA-N 1 2 239.384 2.921 20 0 BFADLO C[C@@]1(F)CCCC[N@H+](Cc2cccnc2F)C1 ZINC001138782580 991039652 /nfs/dbraw/zinc/03/96/52/991039652.db2.gz AIYCOBGOUIKSMS-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@@]1(F)CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001138782580 991039657 /nfs/dbraw/zinc/03/96/57/991039657.db2.gz AIYCOBGOUIKSMS-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO CCCn1cc(C[N@H+](C)Cc2ccoc2)c(C)n1 ZINC001308612023 991058586 /nfs/dbraw/zinc/05/85/86/991058586.db2.gz VCSLZNHFVLALBK-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1cc(C[N@@H+](C)Cc2ccoc2)c(C)n1 ZINC001308612023 991058589 /nfs/dbraw/zinc/05/85/89/991058589.db2.gz VCSLZNHFVLALBK-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCC[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001559491340 991120007 /nfs/dbraw/zinc/12/00/07/991120007.db2.gz FVDKZKCUYBRMRR-LLVKDONJSA-N 1 2 235.331 2.884 20 0 BFADLO CCC[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC001559491340 991120010 /nfs/dbraw/zinc/12/00/10/991120010.db2.gz FVDKZKCUYBRMRR-LLVKDONJSA-N 1 2 235.331 2.884 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CNc1cc(CO)cc[nH+]1 ZINC001202892124 991136093 /nfs/dbraw/zinc/13/60/93/991136093.db2.gz IGYUGFAXVGRQEF-DGCLKSJQSA-N 1 2 234.343 2.812 20 0 BFADLO C[C@H]1CCCC[C@H]1CNc1cc(CO)cc[nH+]1 ZINC001202892122 991137615 /nfs/dbraw/zinc/13/76/15/991137615.db2.gz IGYUGFAXVGRQEF-AAEUAGOBSA-N 1 2 234.343 2.812 20 0 BFADLO COc1ccc(C[NH+]2CCC2)c(Cl)c1OC ZINC001139114640 991145460 /nfs/dbraw/zinc/14/54/60/991145460.db2.gz LEFWUUCNONXZAS-UHFFFAOYSA-N 1 2 241.718 2.563 20 0 BFADLO CCOC(=O)C1([NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC001258273073 991198289 /nfs/dbraw/zinc/19/82/89/991198289.db2.gz HRWSKBYSSHIGTL-NSHDSACASA-N 1 2 239.359 2.641 20 0 BFADLO CC1(C)CCC[C@@H]([N@@H+]2CCC(=O)[C@H](F)C2)C1 ZINC001258287788 991222198 /nfs/dbraw/zinc/22/21/98/991222198.db2.gz DAPYTYPTRQTOHP-GHMZBOCLSA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC[C@@H]([N@H+]2CCC(=O)[C@H](F)C2)C1 ZINC001258287788 991222204 /nfs/dbraw/zinc/22/22/04/991222204.db2.gz DAPYTYPTRQTOHP-GHMZBOCLSA-N 1 2 227.323 2.568 20 0 BFADLO Clc1ccnc(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139475044 991256722 /nfs/dbraw/zinc/25/67/22/991256722.db2.gz MUUBGAVFVSYGKA-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1ccnc(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139475044 991256730 /nfs/dbraw/zinc/25/67/30/991256730.db2.gz MUUBGAVFVSYGKA-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO CSC(C)(C)C[C@H](C)[NH+]1CC(C)(F)C1 ZINC001258334714 991263009 /nfs/dbraw/zinc/26/30/09/991263009.db2.gz GXZCTPFWKVIJIC-VIFPVBQESA-N 1 2 219.369 2.950 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC001139600609 991277840 /nfs/dbraw/zinc/27/78/40/991277840.db2.gz REVYUUPPQZBWPR-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+]1CCOC[C@@H]1C ZINC001139600609 991277862 /nfs/dbraw/zinc/27/78/62/991277862.db2.gz REVYUUPPQZBWPR-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+](C)C1(C)COC1 ZINC001139605094 991288782 /nfs/dbraw/zinc/28/87/82/991288782.db2.gz RDBAYPSKYBCYJO-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+](C)C1(C)COC1 ZINC001139605094 991288798 /nfs/dbraw/zinc/28/87/98/991288798.db2.gz RDBAYPSKYBCYJO-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCCCC(CCCC)[NH+]1CC(F)(CO)C1 ZINC001258385528 991339951 /nfs/dbraw/zinc/33/99/51/991339951.db2.gz YOJKUBCKXLYNON-UHFFFAOYSA-N 1 2 231.355 2.752 20 0 BFADLO CCCCC(CCCC)[N@@H+]1CCOC(=O)C1 ZINC001258388304 991346148 /nfs/dbraw/zinc/34/61/48/991346148.db2.gz BAAPIBMCILVVKU-UHFFFAOYSA-N 1 2 227.348 2.594 20 0 BFADLO CCCCC(CCCC)[N@H+]1CCOC(=O)C1 ZINC001258388304 991346155 /nfs/dbraw/zinc/34/61/55/991346155.db2.gz BAAPIBMCILVVKU-UHFFFAOYSA-N 1 2 227.348 2.594 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cnc3cccnc3c2)C1 ZINC001139740512 991351351 /nfs/dbraw/zinc/35/13/51/991351351.db2.gz CRGRIOAUIBMKJW-GFCCVEGCSA-N 1 2 245.301 2.564 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cnc3cccnc3c2)C1 ZINC001139740512 991351359 /nfs/dbraw/zinc/35/13/59/991351359.db2.gz CRGRIOAUIBMKJW-GFCCVEGCSA-N 1 2 245.301 2.564 20 0 BFADLO Cc1ccc(CCC[N@H+]2CC(=O)CC[C@@H]2C)cc1 ZINC001560196522 991408895 /nfs/dbraw/zinc/40/88/95/991408895.db2.gz KMOGXNKSRLZFJF-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CCC[N@@H+]2CC(=O)CC[C@@H]2C)cc1 ZINC001560196522 991408901 /nfs/dbraw/zinc/40/89/01/991408901.db2.gz KMOGXNKSRLZFJF-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ncccc2C)o1 ZINC001560221494 991428031 /nfs/dbraw/zinc/42/80/31/991428031.db2.gz XJJQKFZDVJCURD-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nocc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001202987187 991429465 /nfs/dbraw/zinc/42/94/65/991429465.db2.gz VICWQTPFNGEYLD-UHFFFAOYSA-N 1 2 242.282 2.725 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2cnsc2)on1 ZINC001560330701 991457128 /nfs/dbraw/zinc/45/71/28/991457128.db2.gz XGWUNFRPDGAMRJ-UHFFFAOYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1nocc1NCc1cc(C)[nH+]c(C)c1 ZINC001560574341 991505553 /nfs/dbraw/zinc/50/55/53/991505553.db2.gz QLEQCQZDRJSAAD-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO COc1cccc2[nH]c(NCc3ccco3)[nH+]c21 ZINC001560577218 991507029 /nfs/dbraw/zinc/50/70/29/991507029.db2.gz UNCXJZQUOYRDRQ-UHFFFAOYSA-N 1 2 243.266 2.777 20 0 BFADLO COc1cc(C[NH+]2CC(OC(C)C)C2)ccc1C ZINC001140162539 991547984 /nfs/dbraw/zinc/54/79/84/991547984.db2.gz YQCACYCAIFKGDG-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)c(F)c1 ZINC001560693138 991554051 /nfs/dbraw/zinc/55/40/51/991554051.db2.gz YBSCMAKNTVCHRG-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c(F)c1 ZINC001560693138 991554063 /nfs/dbraw/zinc/55/40/63/991554063.db2.gz YBSCMAKNTVCHRG-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c(F)c1 ZINC001560693137 991558772 /nfs/dbraw/zinc/55/87/72/991558772.db2.gz YBSCMAKNTVCHRG-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c(F)c1 ZINC001560693137 991558782 /nfs/dbraw/zinc/55/87/82/991558782.db2.gz YBSCMAKNTVCHRG-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO COc1nc(C[N@H+](C)Cc2ccco2)ccc1C ZINC001560713303 991570660 /nfs/dbraw/zinc/57/06/60/991570660.db2.gz MYKHPMCGBFESRU-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1nc(C[N@@H+](C)Cc2ccco2)ccc1C ZINC001560713303 991570667 /nfs/dbraw/zinc/57/06/67/991570667.db2.gz MYKHPMCGBFESRU-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)(CF)[NH2+]Cc1ccc(O)c(F)c1F ZINC001560768881 991591148 /nfs/dbraw/zinc/59/11/48/991591148.db2.gz LUBSAMRFWBIHCD-UHFFFAOYSA-N 1 2 233.233 2.508 20 0 BFADLO COC1(CNc2c[nH+]cc3c2CCCC3)CCC1 ZINC001560927171 991656362 /nfs/dbraw/zinc/65/63/62/991656362.db2.gz KCUVPKFFTZCNAK-UHFFFAOYSA-N 1 2 246.354 2.941 20 0 BFADLO CC[N@H+](C)Cc1c(F)cc(F)cc1F ZINC001140529155 991661220 /nfs/dbraw/zinc/66/12/20/991661220.db2.gz DCZCRXSLMOGGDT-UHFFFAOYSA-N 1 2 203.207 2.556 20 0 BFADLO CC[N@@H+](C)Cc1c(F)cc(F)cc1F ZINC001140529155 991661225 /nfs/dbraw/zinc/66/12/25/991661225.db2.gz DCZCRXSLMOGGDT-UHFFFAOYSA-N 1 2 203.207 2.556 20 0 BFADLO C[C@H](Cc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC001258744492 991692424 /nfs/dbraw/zinc/69/24/24/991692424.db2.gz DCROLBRBPOHDNY-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318706674 991704236 /nfs/dbraw/zinc/70/42/36/991704236.db2.gz AFSAYRWLHHHCDR-CHWSQXEVSA-N 1 2 249.358 2.625 20 0 BFADLO CC1(C)C[N@H+](Cc2nnc(C3CC3)o2)C1(C)C ZINC001319021927 991766013 /nfs/dbraw/zinc/76/60/13/991766013.db2.gz FRKOOXNWUWXCGH-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CC1(C)C[N@@H+](Cc2nnc(C3CC3)o2)C1(C)C ZINC001319021927 991766022 /nfs/dbraw/zinc/76/60/22/991766022.db2.gz FRKOOXNWUWXCGH-UHFFFAOYSA-N 1 2 235.331 2.567 20 0 BFADLO CCCC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCC1 ZINC001319163562 991807391 /nfs/dbraw/zinc/80/73/91/991807391.db2.gz LSRMAXXSSNODAQ-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1ccc(Cl)c(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001566365420 991845439 /nfs/dbraw/zinc/84/54/39/991845439.db2.gz ZUABEAOYWXZOBZ-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccccn2)C(C)C)[nH]n1 ZINC001319696743 991937663 /nfs/dbraw/zinc/93/76/63/991937663.db2.gz VHWBTZPBAOFXMR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccccn2)C(C)C)[nH]n1 ZINC001319696743 991937684 /nfs/dbraw/zinc/93/76/84/991937684.db2.gz VHWBTZPBAOFXMR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO CC[C@@H]([NH2+]Cc1nnc[nH]1)c1cc(C)ccc1C ZINC001261810751 992515598 /nfs/dbraw/zinc/51/55/98/992515598.db2.gz LWBWAZBXYAAIKE-CYBMUJFWSA-N 1 2 244.342 2.662 20 0 BFADLO CC(C)(C)SCSCC[NH+]1CCOCC1 ZINC001261889147 992561778 /nfs/dbraw/zinc/56/17/78/992561778.db2.gz OYMAXYJYJVUZRJ-UHFFFAOYSA-N 1 2 249.445 2.541 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccn1C1CC1 ZINC001262028389 992615856 /nfs/dbraw/zinc/61/58/56/992615856.db2.gz KWGUUGPDKYHDRB-UHFFFAOYSA-N 1 2 228.286 2.958 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@@H](C)COC ZINC001262107398 992676529 /nfs/dbraw/zinc/67/65/29/992676529.db2.gz LSYMYVDFYJRASI-JTQLQIEISA-N 1 2 240.372 2.782 20 0 BFADLO CCc1cc(N[C@@H]2CC23CC3)nc(CC)[nH+]1 ZINC001262371033 992865091 /nfs/dbraw/zinc/86/50/91/992865091.db2.gz YYTQFVTXKGQFAP-SNVBAGLBSA-N 1 2 217.316 2.566 20 0 BFADLO CCc1cc(N[C@H]2CC23CC3)nc(CC)[nH+]1 ZINC001262371032 992866160 /nfs/dbraw/zinc/86/61/60/992866160.db2.gz YYTQFVTXKGQFAP-JTQLQIEISA-N 1 2 217.316 2.566 20 0 BFADLO CCc1ccc(N2CCC[C@@H]2[C@@H]2CCCO2)[nH+]c1 ZINC001262695722 993035855 /nfs/dbraw/zinc/03/58/55/993035855.db2.gz KLKPCDMDWWOMFX-KGLIPLIRSA-N 1 2 246.354 2.792 20 0 BFADLO CCc1ccc(N2CC[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001262702421 993045435 /nfs/dbraw/zinc/04/54/35/993045435.db2.gz URRIVJNKNPCSAY-NEPJUHHUSA-N 1 2 234.343 2.648 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001262805099 993069697 /nfs/dbraw/zinc/06/96/97/993069697.db2.gz DYNDLMOVUJNQKQ-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO CCCCCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263544230 993376573 /nfs/dbraw/zinc/37/65/73/993376573.db2.gz UIQJUINLHNQZSC-UHFFFAOYSA-N 1 2 238.331 2.742 20 0 BFADLO c1cc2cc(NCCC3CCC3)[nH+]cc2[nH]1 ZINC000381402467 993392799 /nfs/dbraw/zinc/39/27/99/993392799.db2.gz QMBBGKUZLAZFAX-UHFFFAOYSA-N 1 2 215.300 2.587 20 0 BFADLO Cc1cc(N[C@@H]2CCCOC2)[nH+]c2ccccc12 ZINC000385221757 993655449 /nfs/dbraw/zinc/65/54/49/993655449.db2.gz NUMMVZHYXYMZMW-GFCCVEGCSA-N 1 2 242.322 2.556 20 0 BFADLO CN(C)c1ccc(Nc2ccnc(Cl)c2)c[nH+]1 ZINC000387243448 993704708 /nfs/dbraw/zinc/70/47/08/993704708.db2.gz XOQQOPNHWROEAX-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO COc1cc(-c2cccc3[nH+]ccn32)ccc1O ZINC000394153724 994047723 /nfs/dbraw/zinc/04/77/23/994047723.db2.gz YDWHCYWDFVXFDQ-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO COc1cc(Cl)cc(-c2ccc(N)[nH+]c2)c1 ZINC000829377949 994574243 /nfs/dbraw/zinc/57/42/43/994574243.db2.gz DMQZMTQFSLQNHB-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO CCc1cn(Cc2cccnc2Cl)c[nH+]1 ZINC001307397501 995343457 /nfs/dbraw/zinc/34/34/57/995343457.db2.gz QPOKYKQPQREVLD-UHFFFAOYSA-N 1 2 221.691 2.542 20 0 BFADLO CCC(CC)(CC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276567080 168316059 /nfs/dbraw/zinc/31/60/59/168316059.db2.gz JWQYWERJGGZLFP-BQYQJAHWSA-N 1 2 235.331 2.508 20 0 BFADLO CCC(CC)(CCO)CNc1cccc[nH+]1 ZINC000266711368 168318601 /nfs/dbraw/zinc/31/86/01/168318601.db2.gz JGNILOQRIXNIML-UHFFFAOYSA-N 1 2 222.332 2.682 20 0 BFADLO CCCC(CCC)C(=O)NCc1[nH]c[nH+]c1C ZINC000269963411 398142414 /nfs/dbraw/zinc/14/24/14/398142414.db2.gz IJLCWMAFAIDXGM-UHFFFAOYSA-N 1 2 237.347 2.551 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1C=CCCC1 ZINC000576240860 365524789 /nfs/dbraw/zinc/52/47/89/365524789.db2.gz MEUBIIQCLTUOCW-LLVKDONJSA-N 1 2 203.289 2.614 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)C(F)F ZINC000389923465 398149303 /nfs/dbraw/zinc/14/93/03/398149303.db2.gz ABCDVUNBHFISFR-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO Cc1ccc(F)cc1C[NH2+][C@@H](C)C(F)F ZINC000389926527 398150307 /nfs/dbraw/zinc/15/03/07/398150307.db2.gz WQZSYIVZIFHEOT-QMMMGPOBSA-N 1 2 217.234 2.877 20 0 BFADLO C[C@H]([NH2+]Cc1ccnc2ccccc12)C(F)F ZINC000389932424 398151123 /nfs/dbraw/zinc/15/11/23/398151123.db2.gz JKWSLWHGWXIFFD-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO Cc1cc(C[NH2+]Cc2cccc(C)c2F)on1 ZINC000295416868 178026039 /nfs/dbraw/zinc/02/60/39/178026039.db2.gz NNARPXXREUGXTR-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1cc(C[NH2+]Cc2cocn2)ccc1Cl ZINC000180916351 178027664 /nfs/dbraw/zinc/02/76/64/178027664.db2.gz KHWXHSFXWDVIJT-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(C(F)F)CC1 ZINC000563426077 398170815 /nfs/dbraw/zinc/17/08/15/398170815.db2.gz FUPSQYUDFPYVES-UHFFFAOYSA-N 1 2 241.285 2.575 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)no1 ZINC000044692339 178030592 /nfs/dbraw/zinc/03/05/92/178030592.db2.gz QSUFJXDQACIMFC-JTQLQIEISA-N 1 2 232.283 2.539 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)no1 ZINC000129588710 178041736 /nfs/dbraw/zinc/04/17/36/178041736.db2.gz WGDJRDAZSMOHKW-AWEZNQCLSA-N 1 2 246.285 2.899 20 0 BFADLO Cc1cc(N)nc(SCC2(C)CCC2)[nH+]1 ZINC000308961719 136217119 /nfs/dbraw/zinc/21/71/19/136217119.db2.gz GMGFINSBKNRSEJ-UHFFFAOYSA-N 1 2 223.345 2.650 20 0 BFADLO CC(F)(F)C[NH2+]C/C=C/c1ccccc1 ZINC000378736493 346817720 /nfs/dbraw/zinc/81/77/20/346817720.db2.gz GRGXDASJAXEHNW-VMPITWQZSA-N 1 2 211.255 2.945 20 0 BFADLO Cc1cc(N(C)C(C)C)nc(C(C)C)[nH+]1 ZINC000301661573 178093088 /nfs/dbraw/zinc/09/30/88/178093088.db2.gz USGZUAZBQMFGDQ-UHFFFAOYSA-N 1 2 207.321 2.753 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC1=CCCOC1 ZINC000155547803 178095144 /nfs/dbraw/zinc/09/51/44/178095144.db2.gz ICRMCTLZHPVJPL-UHFFFAOYSA-N 1 2 246.354 2.820 20 0 BFADLO Cc1cc(N(C)C2CCC2)nc(C(C)C)[nH+]1 ZINC000301564750 178096009 /nfs/dbraw/zinc/09/60/09/178096009.db2.gz VXZKFWSEGCZFLQ-UHFFFAOYSA-N 1 2 219.332 2.897 20 0 BFADLO Cc1cc(N(C)CC2CC2)nc(C(C)C)[nH+]1 ZINC000301080174 178096035 /nfs/dbraw/zinc/09/60/35/178096035.db2.gz JTLJPIJLBLYPJZ-UHFFFAOYSA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cc(N(C)CC2CC2)nc(C2CC2)[nH+]1 ZINC000265290181 178096217 /nfs/dbraw/zinc/09/62/17/178096217.db2.gz BEYGERVXWDOEGY-UHFFFAOYSA-N 1 2 217.316 2.509 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@H]1CC1(C)C ZINC000625565253 398199925 /nfs/dbraw/zinc/19/99/25/398199925.db2.gz NQBAFVHXHGDORG-LLVKDONJSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301246475 178100163 /nfs/dbraw/zinc/10/01/63/178100163.db2.gz OFTSFAVOUZPZBZ-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N(C)[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000301292328 178100630 /nfs/dbraw/zinc/10/06/30/178100630.db2.gz ULJONQQZOWTNAS-PWSUYJOCSA-N 1 2 219.332 2.800 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@H]1CC1(C)C ZINC000625565253 398199930 /nfs/dbraw/zinc/19/99/30/398199930.db2.gz NQBAFVHXHGDORG-LLVKDONJSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(N2CCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000361280530 178115288 /nfs/dbraw/zinc/11/52/88/178115288.db2.gz ITUAXIZFNWBFDA-NSHDSACASA-N 1 2 219.332 2.897 20 0 BFADLO Cc1cc(N2CCC(F)(F)C2)nc(C(C)C)[nH+]1 ZINC000334300329 398197613 /nfs/dbraw/zinc/19/76/13/398197613.db2.gz UEIVBWRWFXIMPN-UHFFFAOYSA-N 1 2 241.285 2.754 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@@H]3CCC[C@@H]32)nc[nH+]1 ZINC000338817790 178111138 /nfs/dbraw/zinc/11/11/38/178111138.db2.gz VEDJYNTWJNFSPD-NEPJUHHUSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2CC(c3ccccc3F)C2)nc[nH+]1 ZINC000336431053 178113501 /nfs/dbraw/zinc/11/35/01/178113501.db2.gz FTRYEJHPWPCATF-UHFFFAOYSA-N 1 2 243.285 2.528 20 0 BFADLO Cc1cc(N2CCC[C@H]2c2ccncc2)nc[nH+]1 ZINC000301931040 178115590 /nfs/dbraw/zinc/11/55/90/178115590.db2.gz OOMUXBZWQKLDJY-ZDUSSCGKSA-N 1 2 240.310 2.522 20 0 BFADLO Cc1cc(N2CC[C@H](CC(C)C)C2)nc[nH+]1 ZINC000301445562 178118991 /nfs/dbraw/zinc/11/89/91/178118991.db2.gz XYFREWJYLSZGDY-GFCCVEGCSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N2CC[C@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000175058049 178119953 /nfs/dbraw/zinc/11/99/53/178119953.db2.gz VSDOTPHMDMLDKT-ONGXEEELSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2C[C@@H]3CCC[C@H]32)nc(C(C)C)[nH+]1 ZINC000336611668 178121154 /nfs/dbraw/zinc/12/11/54/178121154.db2.gz FWKCUKMQDWAMRI-NWDGAFQWSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000302162844 178121825 /nfs/dbraw/zinc/12/18/25/178121825.db2.gz KEGHNPHZHOMQLV-WCFLWFBJSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301597690 178121857 /nfs/dbraw/zinc/12/18/57/178121857.db2.gz XBRJMKHBRYNFEO-FRRDWIJNSA-N 1 2 231.343 2.942 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H]2c2ccccc2)nc[nH+]1 ZINC000301475377 178122542 /nfs/dbraw/zinc/12/25/42/178122542.db2.gz SDXDGBCYVRBHOR-XHDPSFHLSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)C2CC2)cc[nH+]1 ZINC000289135610 178123524 /nfs/dbraw/zinc/12/35/24/178123524.db2.gz SZNXJQJXCWKEPC-UHFFFAOYSA-N 1 2 218.300 2.765 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc(C)[nH+]c1C ZINC000162948594 538925939 /nfs/dbraw/zinc/92/59/39/538925939.db2.gz ZIVKWEPIGKZQAI-GXSJLCMTSA-N 1 2 208.305 2.534 20 0 BFADLO Cc1cc(NC(=O)C[C@H]2C=CCC2)cc[nH+]1 ZINC000070888889 178134269 /nfs/dbraw/zinc/13/42/69/178134269.db2.gz LFYZRKNAVMPHSB-NSHDSACASA-N 1 2 216.284 2.685 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2CCC2(C)C)cc[nH+]1 ZINC000287244503 178140633 /nfs/dbraw/zinc/14/06/33/178140633.db2.gz WXJOPMPKYWQHCO-LLVKDONJSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000119745411 178141164 /nfs/dbraw/zinc/14/11/64/178141164.db2.gz UFJWQZPQJBEIBI-LBPRGKRZSA-N 1 2 245.326 2.868 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2C)cc[nH+]1 ZINC000119632708 178141430 /nfs/dbraw/zinc/14/14/30/178141430.db2.gz MMNMUACPGLSUTQ-BXKDBHETSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CCC[C@H]2C)cc[nH+]1 ZINC000119632848 178142017 /nfs/dbraw/zinc/14/20/17/178142017.db2.gz MMNMUACPGLSUTQ-SKDRFNHKSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)c2conc2C2CC2)cc[nH+]1 ZINC000289534485 178151989 /nfs/dbraw/zinc/15/19/89/178151989.db2.gz NODCSFLVYCGPJG-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO Cc1cc(NCC(F)F)nc(C(C)C)[nH+]1 ZINC000098000875 178156263 /nfs/dbraw/zinc/15/62/63/178156263.db2.gz PQYIOORZWJUNJV-UHFFFAOYSA-N 1 2 215.247 2.585 20 0 BFADLO Cc1cc(NCC2(C)COC2)ccc1[NH+](C)C ZINC000286271423 178157189 /nfs/dbraw/zinc/15/71/89/178157189.db2.gz BIICTHFNBDTVFN-UHFFFAOYSA-N 1 2 234.343 2.509 20 0 BFADLO Cc1cc([NH2+]CC2(C)COC2)ccc1N(C)C ZINC000286271423 178157191 /nfs/dbraw/zinc/15/71/91/178157191.db2.gz BIICTHFNBDTVFN-UHFFFAOYSA-N 1 2 234.343 2.509 20 0 BFADLO Cc1cc(NCC(C)C)nc(-c2cccnc2)[nH+]1 ZINC000298806321 178157223 /nfs/dbraw/zinc/15/72/23/178157223.db2.gz UROXEMJUCJUWIN-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO Cc1cc(NCC2CCC2)nc(C2CC2)[nH+]1 ZINC000265378854 178158434 /nfs/dbraw/zinc/15/84/34/178158434.db2.gz QPIPPKILNNODMV-UHFFFAOYSA-N 1 2 217.316 2.874 20 0 BFADLO Cc1cc(NCCOC2CCCCCC2)nc[nH+]1 ZINC000301304165 178160860 /nfs/dbraw/zinc/16/08/60/178160860.db2.gz XENXEUWXWVCCNP-UHFFFAOYSA-N 1 2 249.358 2.936 20 0 BFADLO C[C@H](CC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000112695816 398211945 /nfs/dbraw/zinc/21/19/45/398211945.db2.gz JCMVFOVZRGXPQO-SECBINFHSA-N 1 2 217.316 2.955 20 0 BFADLO Cc1cc(NCCO[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000110212974 178161468 /nfs/dbraw/zinc/16/14/68/178161468.db2.gz QNWPVKGSPLLXFD-WCQYABFASA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(NCCOCC2CC2)nc(C(C)C)[nH+]1 ZINC000224507271 178161580 /nfs/dbraw/zinc/16/15/80/178161580.db2.gz CIBZHSLNHXZKOH-UHFFFAOYSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1cc(NCCc2cc(F)cc(F)c2)nc[nH+]1 ZINC000060719096 178163692 /nfs/dbraw/zinc/16/36/92/178163692.db2.gz OVZXVQLTFJIACU-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1cc(NC[C@@H]2CCCCO2)nc(C2CC2)[nH+]1 ZINC000116260318 178164613 /nfs/dbraw/zinc/16/46/13/178164613.db2.gz JJNFLXQZIIOCBO-LBPRGKRZSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cc(NC[C@]2(O)CCCC(C)(C)C2)nc[nH+]1 ZINC000302501954 178170424 /nfs/dbraw/zinc/17/04/24/178170424.db2.gz PATGPMONRPTXMQ-AWEZNQCLSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(NCc2cc(F)ccc2F)nc[nH+]1 ZINC000111406032 178170961 /nfs/dbraw/zinc/17/09/61/178170961.db2.gz GKJZIHUUOADDPF-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1ccc(CNc2cc(C)[nH+]cn2)s1 ZINC000050225632 178171595 /nfs/dbraw/zinc/17/15/95/178171595.db2.gz QHQRNBZTBBZGOG-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(NCc2cccc(F)c2)nc[nH+]1 ZINC000040727109 178173204 /nfs/dbraw/zinc/17/32/04/178173204.db2.gz SQSIQDHRFQEBHO-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nc(C2CC2)[nH+]1 ZINC000264626969 178178974 /nfs/dbraw/zinc/17/89/74/178178974.db2.gz JUKIGINTMPETBS-JQWIXIFHSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(N[C@@H](CCO)C2CCCCC2)nc[nH+]1 ZINC000301397167 178180720 /nfs/dbraw/zinc/18/07/20/178180720.db2.gz NLRFADIBDWQEPW-ZDUSSCGKSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(N[C@@H]2CCCC(F)(F)C2)nc[nH+]1 ZINC000309841615 178180988 /nfs/dbraw/zinc/18/09/88/178180988.db2.gz DNNIAFKOJRSUNE-SECBINFHSA-N 1 2 227.258 2.775 20 0 BFADLO Cc1cc(N[C@@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000122382083 178181286 /nfs/dbraw/zinc/18/12/86/178181286.db2.gz NNVOALVMIFTJMY-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(N[C@@H]2CCCC23CCOCC3)nc[nH+]1 ZINC000336990199 178181410 /nfs/dbraw/zinc/18/14/10/178181410.db2.gz KFWHLSIDLDCTGJ-GFCCVEGCSA-N 1 2 247.342 2.546 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2c2ccc(F)cc2)nc[nH+]1 ZINC000302850429 178183688 /nfs/dbraw/zinc/18/36/88/178183688.db2.gz ILNMCXVGOGXUTE-QWHCGFSZSA-N 1 2 243.285 2.892 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2Cc2ccccc2)nc[nH+]1 ZINC000361090966 178184186 /nfs/dbraw/zinc/18/41/86/178184186.db2.gz ZFKBHYBBMIBCDL-ZIAGYGMSSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)nc[nH+]1 ZINC000361626645 178184278 /nfs/dbraw/zinc/18/42/78/178184278.db2.gz JTQLNXAEXIHHMT-VXGBXAGGSA-N 1 2 249.358 2.789 20 0 BFADLO C[C@H]([NH2+]Cc1ccncc1F)c1cscn1 ZINC000576479135 365595674 /nfs/dbraw/zinc/59/56/74/365595674.db2.gz AZQHQBISWNJZHX-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1cc(N[C@H]2CCc3c2cccc3O)nc[nH+]1 ZINC000301489336 178189777 /nfs/dbraw/zinc/18/97/77/178189777.db2.gz KZMQKUQCESQNGC-LBPRGKRZSA-N 1 2 241.294 2.590 20 0 BFADLO Cc1cc(N[C@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000044677683 178191798 /nfs/dbraw/zinc/19/17/98/178191798.db2.gz BTNOZUDOLIAGSP-STQMWFEESA-N 1 2 225.295 2.753 20 0 BFADLO Cc1cc(N[C@H]2C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000052291370 178192404 /nfs/dbraw/zinc/19/24/04/178192404.db2.gz FSXMRGDGMHDKPO-SCZZXKLOSA-N 1 2 205.305 2.729 20 0 BFADLO Cc1cc(N[C@H]2c3ccccc3O[C@H]2C)nc[nH+]1 ZINC000341074520 178192548 /nfs/dbraw/zinc/19/25/48/178192548.db2.gz UMVLRRDIWSKUAA-IINYFYTJSA-N 1 2 241.294 2.719 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc(C2CC2)c1 ZINC000421381602 192324975 /nfs/dbraw/zinc/32/49/75/192324975.db2.gz LMACCLKCHWFEOR-UHFFFAOYSA-N 1 2 225.282 2.961 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000421383842 192325051 /nfs/dbraw/zinc/32/50/51/192325051.db2.gz DQJLVIHQBKJASK-VIFPVBQESA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000421383842 192325053 /nfs/dbraw/zinc/32/50/53/192325053.db2.gz DQJLVIHQBKJASK-VIFPVBQESA-N 1 2 248.248 2.839 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000421391146 192328428 /nfs/dbraw/zinc/32/84/28/192328428.db2.gz MWDCNCCCFQCUAU-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421391146 192328431 /nfs/dbraw/zinc/32/84/31/192328431.db2.gz MWDCNCCCFQCUAU-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)CC(C)(C)O2 ZINC000649429332 398232769 /nfs/dbraw/zinc/23/27/69/398232769.db2.gz XEGYXLMYOWSIRV-UHFFFAOYSA-N 1 2 228.295 2.801 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]CC(F)(F)CO)c(C)s1 ZINC000184712414 178222497 /nfs/dbraw/zinc/22/24/97/178222497.db2.gz QJHGACLBRUYNMJ-MRVPVSSYSA-N 1 2 249.326 2.643 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cn[nH]c2C)cs1 ZINC000294269551 178228674 /nfs/dbraw/zinc/22/86/74/178228674.db2.gz RQVRGOJOHLSPHQ-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccn[nH]2)c(C)s1 ZINC000037123105 178229106 /nfs/dbraw/zinc/22/91/06/178229106.db2.gz XWNOMMAFKIMOKE-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2c[nH]cn2)ccc1F ZINC000280306368 178229375 /nfs/dbraw/zinc/22/93/75/178229375.db2.gz WMMYXYHICLMRRH-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccccn2)nn1C ZINC000337405575 178253114 /nfs/dbraw/zinc/25/31/14/178253114.db2.gz SGUDZEBZGLJDJF-RYUDHWBXSA-N 1 2 244.342 2.535 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165709977 538937012 /nfs/dbraw/zinc/93/70/12/538937012.db2.gz IAAJTSGJHXXRSS-NWDGAFQWSA-N 1 2 245.326 2.708 20 0 BFADLO c1cc(-c2ccc(N3CCCC3)[nH+]c2)ccn1 ZINC000649438018 398240149 /nfs/dbraw/zinc/24/01/49/398240149.db2.gz PMMFLOJXXUFTFO-UHFFFAOYSA-N 1 2 225.295 2.744 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nnc(C)o2)c(C)o1 ZINC000183794445 178257502 /nfs/dbraw/zinc/25/75/02/178257502.db2.gz DKEULDAVHOJSGE-DTWKUNHWSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccn2)nn1C ZINC000337405573 178257575 /nfs/dbraw/zinc/25/75/75/178257575.db2.gz SGUDZEBZGLJDJF-NEPJUHHUSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnoc2C)no1 ZINC000372459517 178267644 /nfs/dbraw/zinc/26/76/44/178267644.db2.gz FKEFSDBLIDOOLZ-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnoc2C)no1 ZINC000372459517 178267646 /nfs/dbraw/zinc/26/76/46/178267646.db2.gz FKEFSDBLIDOOLZ-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc2c(cc1C)N(Cc1c[nH+]cn1C)CC2 ZINC000285525843 178285410 /nfs/dbraw/zinc/28/54/10/178285410.db2.gz SADNCXKPOMEJPS-UHFFFAOYSA-N 1 2 241.338 2.600 20 0 BFADLO CC1(C)CCC[C@@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000576512388 365613616 /nfs/dbraw/zinc/61/36/16/365613616.db2.gz ZUACFDWGQFTDFC-GFCCVEGCSA-N 1 2 248.370 2.624 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N(C)CC[C@H](C)O ZINC000133209731 178299313 /nfs/dbraw/zinc/29/93/13/178299313.db2.gz IMDWYEZNDXQQJG-LBPRGKRZSA-N 1 2 244.338 2.750 20 0 BFADLO Cn1c2ccc(Cl)cc2[nH]c1=[NH+]CC1(C)CC1 ZINC000576565641 365625752 /nfs/dbraw/zinc/62/57/52/365625752.db2.gz WLJFAZMDTUZXBC-UHFFFAOYSA-N 1 2 249.745 2.861 20 0 BFADLO CCc1ccccc1C[NH2+][C@@H](C)c1nnc(C)o1 ZINC000576674625 365655004 /nfs/dbraw/zinc/65/50/04/365655004.db2.gz NMLMKWIWLRZZRX-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1CC1 ZINC000279847718 178338582 /nfs/dbraw/zinc/33/85/82/178338582.db2.gz CCSRYFATFYBCED-UHFFFAOYSA-N 1 2 241.294 2.734 20 0 BFADLO CC(C)c1cnc(N(C)Cc2[nH]cc[nH+]2)s1 ZINC000428133507 398258322 /nfs/dbraw/zinc/25/83/22/398258322.db2.gz XXWWQDHHMTYACH-UHFFFAOYSA-N 1 2 236.344 2.626 20 0 BFADLO CC[C@@H](CC(F)(F)F)Nc1cc(C)[nH+]cn1 ZINC000309429573 398255717 /nfs/dbraw/zinc/25/57/17/398255717.db2.gz FWQZDCRVOVGWOF-QMMMGPOBSA-N 1 2 233.237 2.928 20 0 BFADLO CCC[C@@H](CNc1ccc[nH+]c1C)OC ZINC000386163076 398263482 /nfs/dbraw/zinc/26/34/82/398263482.db2.gz VEYIXSYXILISML-NSHDSACASA-N 1 2 208.305 2.617 20 0 BFADLO COc1cccc2c1CN(c1cccc[nH+]1)CC2 ZINC000649468689 398268867 /nfs/dbraw/zinc/26/88/67/398268867.db2.gz UPFBMWJOTQWRCH-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO CCC[C@@H](CNc1ccc2ccccc2[nH+]1)OC ZINC000378838896 346844694 /nfs/dbraw/zinc/84/46/94/346844694.db2.gz WURLBCZTTRWLLC-ZDUSSCGKSA-N 1 2 244.338 2.884 20 0 BFADLO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000180579060 538958294 /nfs/dbraw/zinc/95/82/94/538958294.db2.gz MIBGEJJOMOWACQ-JQWIXIFHSA-N 1 2 239.363 2.574 20 0 BFADLO CCCC[C@H](COC)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000180579080 538958322 /nfs/dbraw/zinc/95/83/22/538958322.db2.gz MIBGEJJOMOWACQ-CMPLNLGQSA-N 1 2 239.363 2.574 20 0 BFADLO CCc1nc(CN(C)c2cccc[nH+]2)cs1 ZINC000063255449 342694820 /nfs/dbraw/zinc/69/48/20/342694820.db2.gz VQWDYJNYJYYZRV-UHFFFAOYSA-N 1 2 233.340 2.737 20 0 BFADLO CCc1cc(N[C@H](C)[C@@H](C)CC)nc[nH+]1 ZINC000042556919 342777694 /nfs/dbraw/zinc/77/76/94/342777694.db2.gz YOXCJQJUUDSBPF-VHSXEESVSA-N 1 2 207.321 2.886 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C(C)(F)F ZINC000335517276 398290231 /nfs/dbraw/zinc/29/02/31/398290231.db2.gz VJHBGTRMMKGPEQ-QMMMGPOBSA-N 1 2 242.269 2.928 20 0 BFADLO CO[C@H]1C[C@@H](CNc2[nH+]ccc(C)c2Cl)C1 ZINC000624756453 342825389 /nfs/dbraw/zinc/82/53/89/342825389.db2.gz IMBHZGTYPACVQP-AOOOYVTPSA-N 1 2 240.734 2.880 20 0 BFADLO Cc1oncc1-c1c[nH+]c(C(C)C)n1C ZINC000630051014 361914542 /nfs/dbraw/zinc/91/45/42/361914542.db2.gz IAFNHXXJNTVJNF-UHFFFAOYSA-N 1 2 205.261 2.507 20 0 BFADLO COc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630049511 361918145 /nfs/dbraw/zinc/91/81/45/361918145.db2.gz FQWBXOPZLGXSSC-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO Cc1[nH+]cc(-c2ccc(C)c(F)c2F)n1C ZINC000630054599 361920057 /nfs/dbraw/zinc/92/00/57/361920057.db2.gz ZMDPAJRPPVCEGL-UHFFFAOYSA-N 1 2 222.238 2.982 20 0 BFADLO c1ccc(N2CCCC3(CC3)CC2)[nH+]c1 ZINC000624720370 342822034 /nfs/dbraw/zinc/82/20/34/342822034.db2.gz QPPAXRKAEHROMS-UHFFFAOYSA-N 1 2 202.301 2.852 20 0 BFADLO CC[N@H+](Cc1nc(C2(C)CCCC2)no1)C1CC1 ZINC000624757798 342825907 /nfs/dbraw/zinc/82/59/07/342825907.db2.gz QFOPGJCKBCTABV-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO CC[N@@H+](Cc1nc(C2(C)CCCC2)no1)C1CC1 ZINC000624757798 342825909 /nfs/dbraw/zinc/82/59/09/342825909.db2.gz QFOPGJCKBCTABV-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO c1coc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000045205900 538991865 /nfs/dbraw/zinc/99/18/65/538991865.db2.gz ZJLFLFZXQLWJFK-UHFFFAOYSA-N 1 2 234.324 2.515 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cncs1 ZINC000380064389 538984342 /nfs/dbraw/zinc/98/43/42/538984342.db2.gz BRRAZAGAENCOEB-VXNVDRBHSA-N 1 2 232.299 2.982 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(Cl)cn1 ZINC000381502592 539001994 /nfs/dbraw/zinc/00/19/94/539001994.db2.gz PGEIJEGOVZIZNR-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO Cc1cc(NC(=O)c2cc(Cl)cn2C)cc[nH+]1 ZINC000193630113 539006949 /nfs/dbraw/zinc/00/69/49/539006949.db2.gz XEECYCCOCSCMRN-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO Cc1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC000634423514 361944790 /nfs/dbraw/zinc/94/47/90/361944790.db2.gz PXNPXMAACFFDCS-SECBINFHSA-N 1 2 249.339 2.843 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CCCO2)c(C)[nH+]1 ZINC000381065844 538994554 /nfs/dbraw/zinc/99/45/54/538994554.db2.gz MQZJMCDRSLPORC-AAEUAGOBSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC000634423161 361948164 /nfs/dbraw/zinc/94/81/64/361948164.db2.gz CYKWODDFEBSMGV-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC000634423161 361948170 /nfs/dbraw/zinc/94/81/70/361948170.db2.gz CYKWODDFEBSMGV-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381330133 538997997 /nfs/dbraw/zinc/99/79/97/538997997.db2.gz STPMZQVJYIIYBC-VXNVDRBHSA-N 1 2 229.274 2.557 20 0 BFADLO Cc1ncccc1C[NH2+][C@H]1CCCC1(F)F ZINC000381375698 538999364 /nfs/dbraw/zinc/99/93/64/538999364.db2.gz JRHHKFMCCOTHNE-NSHDSACASA-N 1 2 226.270 2.667 20 0 BFADLO CC(C)([NH2+]Cc1cccc(F)c1)C(F)F ZINC000389968736 539018918 /nfs/dbraw/zinc/01/89/18/539018918.db2.gz YRIIWFAJRFDVMD-UHFFFAOYSA-N 1 2 217.234 2.959 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)CC1CCCC1 ZINC000625117061 342876461 /nfs/dbraw/zinc/87/64/61/342876461.db2.gz LMIIDRVVTQVNGU-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)CC1CCCC1 ZINC000625117061 342876462 /nfs/dbraw/zinc/87/64/62/342876462.db2.gz LMIIDRVVTQVNGU-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCOCC[N@H+](CC)Cc1ncccc1Cl ZINC000625156925 342896543 /nfs/dbraw/zinc/89/65/43/342896543.db2.gz BQXLUIMSKFIDAH-UHFFFAOYSA-N 1 2 242.750 2.593 20 0 BFADLO CCOCC[N@@H+](CC)Cc1ncccc1Cl ZINC000625156925 342896545 /nfs/dbraw/zinc/89/65/45/342896545.db2.gz BQXLUIMSKFIDAH-UHFFFAOYSA-N 1 2 242.750 2.593 20 0 BFADLO CC1(C)CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625163648 342898143 /nfs/dbraw/zinc/89/81/43/342898143.db2.gz FXLPSJXCJWFXBY-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625163648 342898145 /nfs/dbraw/zinc/89/81/45/342898145.db2.gz FXLPSJXCJWFXBY-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCC[C@@H]1C1CC1 ZINC000625136493 342887444 /nfs/dbraw/zinc/88/74/44/342887444.db2.gz RTUGSFKZXBDJHN-GFCCVEGCSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCC[C@@H]1C1CC1 ZINC000625136493 342887445 /nfs/dbraw/zinc/88/74/45/342887445.db2.gz RTUGSFKZXBDJHN-GFCCVEGCSA-N 1 2 247.342 2.712 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625185398 342904676 /nfs/dbraw/zinc/90/46/76/342904676.db2.gz BVVIIXAKFBAYFO-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625185398 342904677 /nfs/dbraw/zinc/90/46/77/342904677.db2.gz BVVIIXAKFBAYFO-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO CC1(C)CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625199333 342909023 /nfs/dbraw/zinc/90/90/23/342909023.db2.gz FSMUQCQSXNWMBO-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC1(C)CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625199333 342909025 /nfs/dbraw/zinc/90/90/25/342909025.db2.gz FSMUQCQSXNWMBO-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO c1cc(N2CCC[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000602601114 349647344 /nfs/dbraw/zinc/64/73/44/349647344.db2.gz UXEWHAKBZMJKOK-LBPRGKRZSA-N 1 2 229.327 2.733 20 0 BFADLO CC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000493371145 529456924 /nfs/dbraw/zinc/45/69/24/529456924.db2.gz QJFBNWJUBWEJTP-GWJCSSMESA-N 1 2 247.342 2.508 20 0 BFADLO CCC[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000112912600 398332527 /nfs/dbraw/zinc/33/25/27/398332527.db2.gz TVVZCBYZCIAUFI-VIFPVBQESA-N 1 2 206.289 2.765 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000351830377 136256204 /nfs/dbraw/zinc/25/62/04/136256204.db2.gz SFDUPRPUGYXCLC-GFCCVEGCSA-N 1 2 243.709 2.980 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000351830377 136256205 /nfs/dbraw/zinc/25/62/05/136256205.db2.gz SFDUPRPUGYXCLC-GFCCVEGCSA-N 1 2 243.709 2.980 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CC[C@](C)(F)C2)c1 ZINC000351825643 136255673 /nfs/dbraw/zinc/25/56/73/136255673.db2.gz IILTYMSWTGDBGY-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CC[C@](C)(F)C2)c1 ZINC000351825643 136255674 /nfs/dbraw/zinc/25/56/74/136255674.db2.gz IILTYMSWTGDBGY-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO CCc1cnc(C[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000223713149 259337503 /nfs/dbraw/zinc/33/75/03/259337503.db2.gz BAXGERVBSRYMQV-JTQLQIEISA-N 1 2 246.310 2.793 20 0 BFADLO CSCCC[N@H+](CC(F)F)C(C)C ZINC000135375609 323028760 /nfs/dbraw/zinc/02/87/60/323028760.db2.gz WNJUFYFMLINVIC-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO CSCCC[N@@H+](CC(F)F)C(C)C ZINC000135375609 323028761 /nfs/dbraw/zinc/02/87/61/323028761.db2.gz WNJUFYFMLINVIC-UHFFFAOYSA-N 1 2 211.321 2.715 20 0 BFADLO Cc1nn(-c2cc[nH+]cc2Cl)c2c1CCC2 ZINC000634608851 343005196 /nfs/dbraw/zinc/00/51/96/343005196.db2.gz OGRZBQKTDSNIFO-UHFFFAOYSA-N 1 2 233.702 2.718 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000335905691 136260791 /nfs/dbraw/zinc/26/07/91/136260791.db2.gz UCCIIDHMDDFFQW-VHSXEESVSA-N 1 2 237.347 2.719 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000507504360 529647058 /nfs/dbraw/zinc/64/70/58/529647058.db2.gz JBBBBAIJLOCEDU-NSHDSACASA-N 1 2 249.358 2.912 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000580034462 343087362 /nfs/dbraw/zinc/08/73/62/343087362.db2.gz KYZWAJLCWYLCLV-GDNZZTSVSA-N 1 2 220.316 2.758 20 0 BFADLO c1nc(C[NH2+]Cc2cc3ccccc3o2)co1 ZINC000236575368 343102392 /nfs/dbraw/zinc/10/23/92/343102392.db2.gz HMRCMXJPTGUCIC-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO C[C@@H](CC(=O)N[C@@H]1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000576880322 365713392 /nfs/dbraw/zinc/71/33/92/365713392.db2.gz ULHWQGSSDJVTJD-FRRDWIJNSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC000625281156 343218994 /nfs/dbraw/zinc/21/89/94/343218994.db2.gz SDYIBJCHGVAFRZ-WDEREUQCSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C[C@H]1C ZINC000625281156 343218997 /nfs/dbraw/zinc/21/89/97/343218997.db2.gz SDYIBJCHGVAFRZ-WDEREUQCSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@H]1CCCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625335555 343238393 /nfs/dbraw/zinc/23/83/93/343238393.db2.gz REHPOJLDMQDJDN-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1CCCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625335555 343238396 /nfs/dbraw/zinc/23/83/96/343238396.db2.gz REHPOJLDMQDJDN-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C(C)(C)C ZINC000121833628 343279714 /nfs/dbraw/zinc/27/97/14/343279714.db2.gz SBVUKUMGDAHMDP-SNVBAGLBSA-N 1 2 235.331 2.946 20 0 BFADLO CSc1cccc(NCc2[nH+]ccn2C)c1 ZINC000036804469 343324813 /nfs/dbraw/zinc/32/48/13/343324813.db2.gz FQNVGYNMCYYRIY-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000038034403 343366817 /nfs/dbraw/zinc/36/68/17/343366817.db2.gz JIXPTLDGURNZCF-GFCCVEGCSA-N 1 2 231.299 2.619 20 0 BFADLO CCO[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000625394270 343377430 /nfs/dbraw/zinc/37/74/30/343377430.db2.gz QYBGWJDDPXZWHG-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000625394270 343377432 /nfs/dbraw/zinc/37/74/32/343377432.db2.gz QYBGWJDDPXZWHG-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(C)(C)c1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070301 362179532 /nfs/dbraw/zinc/17/95/32/362179532.db2.gz AGEQCFDSPGGRTR-UHFFFAOYSA-N 1 2 244.342 2.717 20 0 BFADLO CCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421553722 192360569 /nfs/dbraw/zinc/36/05/69/192360569.db2.gz FDUMDLAPIFVVNW-UHFFFAOYSA-N 1 2 220.316 2.505 20 0 BFADLO Cc1cc(CNC(=O)C[C@@H]2C=CCC2)cc(C)[nH+]1 ZINC000421552857 192360774 /nfs/dbraw/zinc/36/07/74/192360774.db2.gz COPFCRNJGLPXBZ-CYBMUJFWSA-N 1 2 244.338 2.671 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2C[C@H](C)[C@@H]2C)[nH+]1 ZINC000631296907 343392197 /nfs/dbraw/zinc/39/21/97/343392197.db2.gz QUMTVHHTINBUOT-UWVGGRQHSA-N 1 2 244.342 2.926 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1noc(-c2ccsc2)n1 ZINC000335690284 136324567 /nfs/dbraw/zinc/32/45/67/136324567.db2.gz WWMUEMVQWXAIIE-RKDXNWHRSA-N 1 2 249.339 2.781 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000041014104 343412502 /nfs/dbraw/zinc/41/25/02/343412502.db2.gz NEBZDBBBKJSJNE-CYBMUJFWSA-N 1 2 215.300 2.651 20 0 BFADLO Cc1ccc(CSc2ncco2)c(C)[nH+]1 ZINC000335710110 136337136 /nfs/dbraw/zinc/33/71/36/136337136.db2.gz FDYOKNCCSAUCNO-UHFFFAOYSA-N 1 2 220.297 2.979 20 0 BFADLO C[C@H]1C[NH+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000335709735 136337285 /nfs/dbraw/zinc/33/72/85/136337285.db2.gz NENHBZWAIJUSIZ-IUCAKERBSA-N 1 2 229.707 2.542 20 0 BFADLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000350439246 136360389 /nfs/dbraw/zinc/36/03/89/136360389.db2.gz MTOZZSIJDVYLNW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000350439246 136360390 /nfs/dbraw/zinc/36/03/90/136360390.db2.gz MTOZZSIJDVYLNW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)C1CCCC1 ZINC000350519331 136361903 /nfs/dbraw/zinc/36/19/03/136361903.db2.gz YFSMAFUNQZXWJJ-VXGBXAGGSA-N 1 2 235.375 2.519 20 0 BFADLO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000166939008 136368069 /nfs/dbraw/zinc/36/80/69/136368069.db2.gz BXPSSVRHDJJGBJ-NWDGAFQWSA-N 1 2 213.365 2.970 20 0 BFADLO CC1(C)CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000351500876 136368868 /nfs/dbraw/zinc/36/88/68/136368868.db2.gz GQIDYTUWLHJQQR-NSHDSACASA-N 1 2 231.343 2.767 20 0 BFADLO FC(F)[C@@H](NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000621404625 343463400 /nfs/dbraw/zinc/46/34/00/343463400.db2.gz ZJBBIGJFLXQKBC-NSHDSACASA-N 1 2 243.301 2.713 20 0 BFADLO CCc1cc(N[C@H](C)c2nc(C)cs2)nc[nH+]1 ZINC000070987923 343583456 /nfs/dbraw/zinc/58/34/56/343583456.db2.gz PEDSSRKBCPHAQB-SECBINFHSA-N 1 2 248.355 2.977 20 0 BFADLO CC[C@H]([NH2+]Cc1noc(C)n1)c1ccc(C)cc1 ZINC000181684680 259364793 /nfs/dbraw/zinc/36/47/93/259364793.db2.gz YNTVXKKCMBSQGB-ZDUSSCGKSA-N 1 2 245.326 2.927 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000083381227 343591823 /nfs/dbraw/zinc/59/18/23/343591823.db2.gz USDWZYZYZFCIJO-ZDUSSCGKSA-N 1 2 249.354 2.672 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000390329075 537791552 /nfs/dbraw/zinc/79/15/52/537791552.db2.gz KACFWGYKJIRKSQ-RQJHMYQMSA-N 1 2 235.253 2.710 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047960152 343675470 /nfs/dbraw/zinc/67/54/70/343675470.db2.gz AEMUDOKEMMFLAY-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047960152 343675473 /nfs/dbraw/zinc/67/54/73/343675473.db2.gz AEMUDOKEMMFLAY-GFCCVEGCSA-N 1 2 235.327 2.551 20 0 BFADLO CCc1nnc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000054114372 343655643 /nfs/dbraw/zinc/65/56/43/343655643.db2.gz ZPJTURRUINNYPP-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nnc(C[N@@H+](C)Cc2ccccc2C)o1 ZINC000054114372 343655645 /nfs/dbraw/zinc/65/56/45/343655645.db2.gz ZPJTURRUINNYPP-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO c1cn(-c2cc(SC3CCCC3)ncn2)c[nH+]1 ZINC000077210571 343670827 /nfs/dbraw/zinc/67/08/27/343670827.db2.gz HLZDFTGCDBRCPL-UHFFFAOYSA-N 1 2 246.339 2.697 20 0 BFADLO CC[C@@H]([NH2+]Cc1conc1C)c1nccs1 ZINC000339274939 343696260 /nfs/dbraw/zinc/69/62/60/343696260.db2.gz PBSWEMVHIRRDGK-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO C[N@H+](C/C=C\c1ccncc1)Cc1cscn1 ZINC000494945966 529820961 /nfs/dbraw/zinc/82/09/61/529820961.db2.gz HRYWGYMHLRELPD-IHWYPQMZSA-N 1 2 245.351 2.683 20 0 BFADLO C[N@@H+](C/C=C\c1ccncc1)Cc1cscn1 ZINC000494945966 529820963 /nfs/dbraw/zinc/82/09/63/529820963.db2.gz HRYWGYMHLRELPD-IHWYPQMZSA-N 1 2 245.351 2.683 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)c1ccccn1 ZINC000624384767 343744350 /nfs/dbraw/zinc/74/43/50/343744350.db2.gz CZHROEIALDPILB-NSHDSACASA-N 1 2 243.310 2.701 20 0 BFADLO Cn1c[nH+]cc1COc1ccccc1Cl ZINC000090233670 343750300 /nfs/dbraw/zinc/75/03/00/343750300.db2.gz IQVXPFUBAVQYFP-UHFFFAOYSA-N 1 2 222.675 2.653 20 0 BFADLO Fc1cccc(F)c1C[N@H+]1CC=CCC1 ZINC000004322671 537809242 /nfs/dbraw/zinc/80/92/42/537809242.db2.gz HJWLNFQRYKDZSN-UHFFFAOYSA-N 1 2 209.239 2.727 20 0 BFADLO Fc1cccc(F)c1C[N@@H+]1CC=CCC1 ZINC000004322671 537809251 /nfs/dbraw/zinc/80/92/51/537809251.db2.gz HJWLNFQRYKDZSN-UHFFFAOYSA-N 1 2 209.239 2.727 20 0 BFADLO CC[C@@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573384 192364571 /nfs/dbraw/zinc/36/45/71/192364571.db2.gz ALTRDUSQXRPUOX-SNVBAGLBSA-N 1 2 234.343 2.751 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccon1 ZINC000336444406 537810510 /nfs/dbraw/zinc/81/05/10/537810510.db2.gz ZNDLQWYFSZGDRS-WPRPVWTQSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccon1 ZINC000336444406 537810517 /nfs/dbraw/zinc/81/05/17/537810517.db2.gz ZNDLQWYFSZGDRS-WPRPVWTQSA-N 1 2 248.248 2.837 20 0 BFADLO Cc1nc(NCc2ccc(Cl)o2)cc[nH+]1 ZINC000309220309 346995058 /nfs/dbraw/zinc/99/50/58/346995058.db2.gz VCUCLTAFJKIHNJ-UHFFFAOYSA-N 1 2 223.663 2.644 20 0 BFADLO C[C@H](c1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000060460170 343940955 /nfs/dbraw/zinc/94/09/55/343940955.db2.gz PBIDKXQETVKLQT-SNVBAGLBSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628119384 343970588 /nfs/dbraw/zinc/97/05/88/343970588.db2.gz PHSCPNYHKYABRE-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO CC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC000628119384 343970591 /nfs/dbraw/zinc/97/05/91/343970591.db2.gz PHSCPNYHKYABRE-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccccc2F)[nH+]c1C ZINC000628119858 343968499 /nfs/dbraw/zinc/96/84/99/343968499.db2.gz NHJONZNGTFIEKZ-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000628119886 343968789 /nfs/dbraw/zinc/96/87/89/343968789.db2.gz OVCAXOOPSCMSKW-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000628119886 343968793 /nfs/dbraw/zinc/96/87/93/343968793.db2.gz OVCAXOOPSCMSKW-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ncccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727883 344058975 /nfs/dbraw/zinc/05/89/75/344058975.db2.gz PPOZXJSUIARHEQ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ncccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727883 344058979 /nfs/dbraw/zinc/05/89/79/344058979.db2.gz PPOZXJSUIARHEQ-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1ncsc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625727785 344059242 /nfs/dbraw/zinc/05/92/42/344059242.db2.gz LLGLVTHMMUEDOR-UHFFFAOYSA-N 1 2 246.335 2.673 20 0 BFADLO Cc1ncsc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000625727785 344059244 /nfs/dbraw/zinc/05/92/44/344059244.db2.gz LLGLVTHMMUEDOR-UHFFFAOYSA-N 1 2 246.335 2.673 20 0 BFADLO CCC[C@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000233345528 344080009 /nfs/dbraw/zinc/08/00/09/344080009.db2.gz GPSGILUMPXYCKL-ZETCQYMHSA-N 1 2 228.727 2.703 20 0 BFADLO CCC[C@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000233345528 344080012 /nfs/dbraw/zinc/08/00/12/344080012.db2.gz GPSGILUMPXYCKL-ZETCQYMHSA-N 1 2 228.727 2.703 20 0 BFADLO Cc1[nH]c(CN2CCc3sccc3C2)[nH+]c1C ZINC000628127968 344156627 /nfs/dbraw/zinc/15/66/27/344156627.db2.gz JHCRONJIAZYTPI-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO C[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000085689447 344208266 /nfs/dbraw/zinc/20/82/66/344208266.db2.gz HHPFDSJVDROWRI-NSHDSACASA-N 1 2 227.311 2.866 20 0 BFADLO Cc1ccc(CN(C)c2cc(CO)cc[nH+]2)s1 ZINC000641338381 362368702 /nfs/dbraw/zinc/36/87/02/362368702.db2.gz IXGXCTTZFSXEPS-UHFFFAOYSA-N 1 2 248.351 2.580 20 0 BFADLO CSCc1cnc(C[N@H+]2CC=CCC2)s1 ZINC000590360352 347031731 /nfs/dbraw/zinc/03/17/31/347031731.db2.gz USCJRHOCCFFYEW-UHFFFAOYSA-N 1 2 240.397 2.768 20 0 BFADLO CSCc1cnc(C[N@@H+]2CC=CCC2)s1 ZINC000590360352 347031733 /nfs/dbraw/zinc/03/17/33/347031733.db2.gz USCJRHOCCFFYEW-UHFFFAOYSA-N 1 2 240.397 2.768 20 0 BFADLO CN(C)c1ccc(CSC2CCC2)c[nH+]1 ZINC000600545572 344262606 /nfs/dbraw/zinc/26/26/06/344262606.db2.gz RXBBQGVAEFXBMZ-UHFFFAOYSA-N 1 2 222.357 2.933 20 0 BFADLO Cn1c[nH+]cc1CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000600578141 344293916 /nfs/dbraw/zinc/29/39/16/344293916.db2.gz KOIYAVQTQKKWLS-JGPRNRPPSA-N 1 2 222.357 2.699 20 0 BFADLO Fc1c[nH+]ccc1N1CCc2ccccc2CC1 ZINC000641378208 362383131 /nfs/dbraw/zinc/38/31/31/362383131.db2.gz FGYLPGDSHNTWLG-UHFFFAOYSA-N 1 2 242.297 2.826 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ncc[nH]1 ZINC000600625915 344343300 /nfs/dbraw/zinc/34/33/00/344343300.db2.gz XWBMFEDLTOSLEY-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ncc[nH]1 ZINC000600625915 344343301 /nfs/dbraw/zinc/34/33/01/344343301.db2.gz XWBMFEDLTOSLEY-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO CC(C)n1cc([C@@H](C)Nc2cc[nH+]cc2F)cn1 ZINC000641373439 362381570 /nfs/dbraw/zinc/38/15/70/362381570.db2.gz NXFJCZZRAWGDCS-SNVBAGLBSA-N 1 2 248.305 2.593 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccoc2)on1 ZINC000168176375 344472855 /nfs/dbraw/zinc/47/28/55/344472855.db2.gz IBJHAYNOCPMNIZ-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000381280853 344491318 /nfs/dbraw/zinc/49/13/18/344491318.db2.gz YCQZLQKOPIFFTK-QMMMGPOBSA-N 1 2 249.364 2.927 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]cc2F)CCS1 ZINC000641405946 362397205 /nfs/dbraw/zinc/39/72/05/362397205.db2.gz CMJNVKXJCCOSIC-SECBINFHSA-N 1 2 226.320 2.553 20 0 BFADLO CC[C@]1(C)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641405208 362397253 /nfs/dbraw/zinc/39/72/53/362397253.db2.gz SFQZKBLQSYVDRD-CQSZACIVSA-N 1 2 234.343 2.590 20 0 BFADLO CCCCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000110323968 344550462 /nfs/dbraw/zinc/55/04/62/344550462.db2.gz YTVWRVKYRMGBCC-UHFFFAOYSA-N 1 2 235.331 2.583 20 0 BFADLO Cc1cnc([C@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000641420259 362407016 /nfs/dbraw/zinc/40/70/16/362407016.db2.gz SJWLUBRDEWKYGQ-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO Fc1c[nH+]ccc1N[C@@H]1CCCC(F)(F)C1 ZINC000641447622 362424540 /nfs/dbraw/zinc/42/45/40/362424540.db2.gz PCQAPIVLTRPTLH-MRVPVSSYSA-N 1 2 230.233 2.632 20 0 BFADLO C[C@H]1CCN(c2cc(CO)cc[nH+]2)CC12CCC2 ZINC000641479920 362448783 /nfs/dbraw/zinc/44/87/83/362448783.db2.gz WJKNCNLLBWPXDK-LBPRGKRZSA-N 1 2 246.354 2.590 20 0 BFADLO CC[C@@H](CC(F)(F)F)Nc1cc[nH+]cc1F ZINC000641490425 362458524 /nfs/dbraw/zinc/45/85/24/362458524.db2.gz YKYVXGKMTIMTAM-ZETCQYMHSA-N 1 2 236.212 2.786 20 0 BFADLO CC(C)C1(C)CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641504160 362467996 /nfs/dbraw/zinc/46/79/96/362467996.db2.gz WLGWJWCLDZIMFT-UHFFFAOYSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000626017298 344673797 /nfs/dbraw/zinc/67/37/97/344673797.db2.gz GWPSAWUJTAQRFB-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1[C@@H]1C=CCCC1 ZINC000626017298 344673799 /nfs/dbraw/zinc/67/37/99/344673799.db2.gz GWPSAWUJTAQRFB-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccncc1)C2 ZINC000626021484 344677275 /nfs/dbraw/zinc/67/72/75/344677275.db2.gz CJBLPGXZGJCWDU-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccncc1)C2 ZINC000626021484 344677276 /nfs/dbraw/zinc/67/72/76/344677276.db2.gz CJBLPGXZGJCWDU-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1cccnc1)C2 ZINC000626021676 344677280 /nfs/dbraw/zinc/67/72/80/344677280.db2.gz LHCJGFPLDIISJW-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1cccnc1)C2 ZINC000626021676 344677282 /nfs/dbraw/zinc/67/72/82/344677282.db2.gz LHCJGFPLDIISJW-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc2c1C[N@H+](CCC(F)(F)F)C2 ZINC000626022021 344677438 /nfs/dbraw/zinc/67/74/38/344677438.db2.gz ZLRXUKHFYNLXEF-UHFFFAOYSA-N 1 2 245.244 2.963 20 0 BFADLO COc1cccc2c1C[N@@H+](CCC(F)(F)F)C2 ZINC000626022021 344677440 /nfs/dbraw/zinc/67/74/40/344677440.db2.gz ZLRXUKHFYNLXEF-UHFFFAOYSA-N 1 2 245.244 2.963 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccccc2C)no1 ZINC000181538403 347063363 /nfs/dbraw/zinc/06/33/63/347063363.db2.gz LCTIQGKXSMDVRK-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1cncs1)C2 ZINC000626023258 344678515 /nfs/dbraw/zinc/67/85/15/344678515.db2.gz CFCOBPIQPYPQNY-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1cncs1)C2 ZINC000626023258 344678517 /nfs/dbraw/zinc/67/85/17/344678517.db2.gz CFCOBPIQPYPQNY-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nnsc1Cl ZINC000306956851 344639938 /nfs/dbraw/zinc/63/99/38/344639938.db2.gz SFBPMQOGOLMBSJ-GJMOJQLCSA-N 1 2 245.779 2.668 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nnsc1Cl ZINC000306956851 344639941 /nfs/dbraw/zinc/63/99/41/344639941.db2.gz SFBPMQOGOLMBSJ-GJMOJQLCSA-N 1 2 245.779 2.668 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC1=O ZINC000049693648 344682255 /nfs/dbraw/zinc/68/22/55/344682255.db2.gz LALLALCGJPILTP-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC1=O ZINC000049693648 344682258 /nfs/dbraw/zinc/68/22/58/344682258.db2.gz LALLALCGJPILTP-SNVBAGLBSA-N 1 2 237.730 2.751 20 0 BFADLO CC[C@@H]([NH2+]Cc1csnn1)c1cccs1 ZINC000049529395 344648946 /nfs/dbraw/zinc/64/89/46/344648946.db2.gz OLHZPCLBAFXCOO-SECBINFHSA-N 1 2 239.369 2.841 20 0 BFADLO CCSCC[C@@H](C)Nc1cc[nH+]cc1F ZINC000603299493 349915283 /nfs/dbraw/zinc/91/52/83/349915283.db2.gz IJOSHTWDYFUBIG-SECBINFHSA-N 1 2 228.336 2.586 20 0 BFADLO c1cnn([C@@H]2CCCC[C@@H]2Nc2cccc[nH+]2)c1 ZINC000074775896 344758972 /nfs/dbraw/zinc/75/89/72/344758972.db2.gz FXDCWOXXJQSFEM-QWHCGFSZSA-N 1 2 242.326 2.874 20 0 BFADLO CC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023173 344762961 /nfs/dbraw/zinc/76/29/61/344762961.db2.gz YIFVIICAOAHOLH-QMMMGPOBSA-N 1 2 231.748 2.795 20 0 BFADLO CC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000075023173 344762963 /nfs/dbraw/zinc/76/29/63/344762963.db2.gz YIFVIICAOAHOLH-QMMMGPOBSA-N 1 2 231.748 2.795 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]CC(F)F)cc1F ZINC000147425111 537856284 /nfs/dbraw/zinc/85/62/84/537856284.db2.gz LVSGZKNUMZKMHE-SSDOTTSWSA-N 1 2 233.233 2.750 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ncc(C)o2)on1 ZINC000075640412 344782543 /nfs/dbraw/zinc/78/25/43/344782543.db2.gz AKTPHUGDRGFBCM-LLVKDONJSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ncc(C)o2)on1 ZINC000075640412 344782545 /nfs/dbraw/zinc/78/25/45/344782545.db2.gz AKTPHUGDRGFBCM-LLVKDONJSA-N 1 2 247.298 2.617 20 0 BFADLO CC(C)c1nc(NC[C@H](C)C(C)C)cc[nH+]1 ZINC000390126452 259380841 /nfs/dbraw/zinc/38/08/41/259380841.db2.gz IBYBBEBNJOVEDJ-NSHDSACASA-N 1 2 221.348 2.726 20 0 BFADLO Cc1ccc(NC(=O)N(C)CC(C)C)c(C)[nH+]1 ZINC000268016504 178730951 /nfs/dbraw/zinc/73/09/51/178730951.db2.gz IWOCUOBDDGCUKD-UHFFFAOYSA-N 1 2 235.331 2.818 20 0 BFADLO CO[C@@](C)(CNc1c[nH+]cc(C)c1)C1CC1 ZINC000653469265 537861939 /nfs/dbraw/zinc/86/19/39/537861939.db2.gz TZCGFFBJIYIDLU-ZDUSSCGKSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1nc(N2CCC3(C2)CCCCC3)cc[nH+]1 ZINC000078411215 344863448 /nfs/dbraw/zinc/86/34/48/344863448.db2.gz VMNPIDPIXFQNQU-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO CC(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000078424369 344865820 /nfs/dbraw/zinc/86/58/20/344865820.db2.gz SBTOIJRKBDXQAW-UHFFFAOYSA-N 1 2 204.317 2.954 20 0 BFADLO CC[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583390297 344873967 /nfs/dbraw/zinc/87/39/67/344873967.db2.gz MFAASTDUMHUVFI-SNVBAGLBSA-N 1 2 245.326 2.513 20 0 BFADLO CC(C)[C@@H]1CN(c2cccc[nH+]2)CCS1 ZINC000078578784 344886048 /nfs/dbraw/zinc/88/60/48/344886048.db2.gz CGFLFCOICGNIMK-NSHDSACASA-N 1 2 222.357 2.659 20 0 BFADLO Cc1ccc(N[C@@H](C)COC(C)C)c(C)[nH+]1 ZINC000309303361 178769737 /nfs/dbraw/zinc/76/97/37/178769737.db2.gz ACNKDTIIXYBWOD-NSHDSACASA-N 1 2 222.332 2.924 20 0 BFADLO CN(CCNc1cccc[nH+]1)c1ccccc1 ZINC000078747344 344903697 /nfs/dbraw/zinc/90/36/97/344903697.db2.gz NBDHYPDHRHUDAM-UHFFFAOYSA-N 1 2 227.311 2.630 20 0 BFADLO CO[C@H]1CCC[C@@H](Nc2ccc[nH+]c2C)C1 ZINC000234779818 537874159 /nfs/dbraw/zinc/87/41/59/537874159.db2.gz QJBGBNMSWHCWLZ-NEPJUHHUSA-N 1 2 220.316 2.760 20 0 BFADLO FC(F)(F)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000192905037 323081120 /nfs/dbraw/zinc/08/11/20/323081120.db2.gz ZFCLAXVFSIJMHR-VIFPVBQESA-N 1 2 230.233 2.860 20 0 BFADLO Cc1c[nH]c(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000628188450 344943286 /nfs/dbraw/zinc/94/32/86/344943286.db2.gz AUNZFTXXHJIWOD-ABAIWWIYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000628188450 344943287 /nfs/dbraw/zinc/94/32/87/344943287.db2.gz AUNZFTXXHJIWOD-ABAIWWIYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000628191839 344945994 /nfs/dbraw/zinc/94/59/94/344945994.db2.gz WVYQVTJVIJMWIP-UHFFFAOYSA-N 1 2 233.359 2.896 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000628191839 344945995 /nfs/dbraw/zinc/94/59/95/344945995.db2.gz WVYQVTJVIJMWIP-UHFFFAOYSA-N 1 2 233.359 2.896 20 0 BFADLO CCC[C@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000079696968 345021716 /nfs/dbraw/zinc/02/17/16/345021716.db2.gz LUICFMXMCYNNJB-QWRGUYRKSA-N 1 2 247.342 2.522 20 0 BFADLO Fc1c[nH+]ccc1NC1CCC(C(F)F)CC1 ZINC000641630030 362560766 /nfs/dbraw/zinc/56/07/66/362560766.db2.gz QBJCAPLIABBICT-UHFFFAOYSA-N 1 2 244.260 2.878 20 0 BFADLO C[C@H](CNc1cc(CO)cc[nH+]1)CC(F)(F)F ZINC000641633068 362561559 /nfs/dbraw/zinc/56/15/59/362561559.db2.gz BQYXGWJXJVOQHS-QMMMGPOBSA-N 1 2 248.248 2.574 20 0 BFADLO COC[C@H]([NH2+]Cc1occc1C)c1ccco1 ZINC000080240050 345125185 /nfs/dbraw/zinc/12/51/85/345125185.db2.gz VKMGIMKUPHXVDR-NSHDSACASA-N 1 2 235.283 2.658 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC000156180969 345132311 /nfs/dbraw/zinc/13/23/11/345132311.db2.gz CBXAAGMDDLHAIG-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(Cl)cc2)[C@@H]1C ZINC000156180969 345132313 /nfs/dbraw/zinc/13/23/13/345132313.db2.gz CBXAAGMDDLHAIG-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC000156185528 345132392 /nfs/dbraw/zinc/13/23/92/345132392.db2.gz RFPWGICQTCWPIA-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cccc(Cl)c2)[C@@H]1C ZINC000156185528 345132394 /nfs/dbraw/zinc/13/23/94/345132394.db2.gz RFPWGICQTCWPIA-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000425272560 192087176 /nfs/dbraw/zinc/08/71/76/192087176.db2.gz GQMSSEYYBBMIJC-NXEZZACHSA-N 1 2 244.342 2.891 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ncc[nH]1 ZINC000235504298 537894544 /nfs/dbraw/zinc/89/45/44/537894544.db2.gz XCPXWULMNMHDBL-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000182336846 178844570 /nfs/dbraw/zinc/84/45/70/178844570.db2.gz VXPMZSPTSABHFL-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1cccc(CC)c1 ZINC000527296843 345340446 /nfs/dbraw/zinc/34/04/46/345340446.db2.gz HEDFOJZSJSZDGT-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1cccc(CC)c1 ZINC000527296843 345340448 /nfs/dbraw/zinc/34/04/48/345340448.db2.gz HEDFOJZSJSZDGT-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CC[C@H](COc1cccc(-n2cc[nH+]c2)c1)OC ZINC000418882595 192088374 /nfs/dbraw/zinc/08/83/74/192088374.db2.gz KDWPNCILVMKRRO-CYBMUJFWSA-N 1 2 246.310 2.676 20 0 BFADLO CC(=O)[C@H](C)SCc1c(C)[nH+]c2ccccn21 ZINC000083124719 345508785 /nfs/dbraw/zinc/50/87/85/345508785.db2.gz YPHUTZQHTWZHGE-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO Nc1[nH+]cccc1CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000603356887 349931822 /nfs/dbraw/zinc/93/18/22/349931822.db2.gz DGQFERRFOMQZDJ-YHPBZONMSA-N 1 2 234.368 2.943 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1CCCOC1)C(F)(F)F ZINC000381365505 345552178 /nfs/dbraw/zinc/55/21/78/345552178.db2.gz GUIQQARSNHQJKP-ZJUUUORDSA-N 1 2 239.281 2.734 20 0 BFADLO Cc1cccn2cc(CNc3cccc[nH+]3)nc12 ZINC000091628492 345602038 /nfs/dbraw/zinc/60/20/38/345602038.db2.gz KAHPPESSXTZLIV-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO COc1cc(F)cc(CNc2cccc[nH+]2)c1 ZINC000091685136 345603660 /nfs/dbraw/zinc/60/36/60/345603660.db2.gz GEMJLXYCRPKYBS-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CNc1cc(N[C@H]2CC[C@H](C)CC2)[nH+]cn1 ZINC000253127729 345615476 /nfs/dbraw/zinc/61/54/76/345615476.db2.gz MOEVNEAXUFSEOX-MGCOHNPYSA-N 1 2 220.320 2.509 20 0 BFADLO CSc1ccc(C[NH2+]Cc2nccs2)o1 ZINC000641709079 362617702 /nfs/dbraw/zinc/61/77/02/362617702.db2.gz FESRSOTVOWAOBU-UHFFFAOYSA-N 1 2 240.353 2.748 20 0 BFADLO C/C=C\C[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641679639 362600911 /nfs/dbraw/zinc/60/09/11/362600911.db2.gz ANITWBOOVIONRC-ZRMMWKCHSA-N 1 2 246.354 2.757 20 0 BFADLO Cc1cc(N(C)[C@@H](C)C(C)(C)C)nc[nH+]1 ZINC000603375114 349935959 /nfs/dbraw/zinc/93/59/59/349935959.db2.gz LBPRMZLSHOJTHM-JTQLQIEISA-N 1 2 207.321 2.656 20 0 BFADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]Cc1ccccc1 ZINC000113563061 345753998 /nfs/dbraw/zinc/75/39/98/345753998.db2.gz XPROUDBFRJFPDJ-UHFFFAOYSA-N 1 2 249.354 2.897 20 0 BFADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCCCC1 ZINC000600985536 345763226 /nfs/dbraw/zinc/76/32/26/345763226.db2.gz WCTWSEBYOSJVDL-LBPRGKRZSA-N 1 2 249.358 2.807 20 0 BFADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ncc[nH]1 ZINC000138959252 345790553 /nfs/dbraw/zinc/79/05/53/345790553.db2.gz RSVZFRBESDBORC-NHCYSSNCSA-N 1 2 245.326 2.977 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2ccoc2)n1 ZINC000070621350 345791398 /nfs/dbraw/zinc/79/13/98/345791398.db2.gz ZYVNVFSRFIRVBG-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1cccc(F)c1F ZINC000140153591 345806007 /nfs/dbraw/zinc/80/60/07/345806007.db2.gz RXRDCPOSKDNIEY-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1cccc(F)c1F ZINC000140153591 345806010 /nfs/dbraw/zinc/80/60/10/345806010.db2.gz RXRDCPOSKDNIEY-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CO[C@@H](COc1cc[nH+]cc1)Cc1ccccc1 ZINC000418953208 192092281 /nfs/dbraw/zinc/09/22/81/192092281.db2.gz LCQMMLZZENHUIN-OAHLLOKOSA-N 1 2 243.306 2.718 20 0 BFADLO Cc1cccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000141081409 345834616 /nfs/dbraw/zinc/83/46/16/345834616.db2.gz FGULFQDXVMEEHV-LLVKDONJSA-N 1 2 243.310 2.518 20 0 BFADLO Cc1nc(C)c(C[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000628214911 345907650 /nfs/dbraw/zinc/90/76/50/345907650.db2.gz RCYFAUKTDRHGAI-UHFFFAOYSA-N 1 2 249.314 2.693 20 0 BFADLO COCCCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000381465890 345969619 /nfs/dbraw/zinc/96/96/19/345969619.db2.gz MPFCTICNNWJDMJ-SECBINFHSA-N 1 2 241.297 2.980 20 0 BFADLO CC(C)(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074859478 345983442 /nfs/dbraw/zinc/98/34/42/345983442.db2.gz GOUOCZRNKGFVDB-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CO[C@@H](CNc1cccc[nH+]1)CC(C)C ZINC000418978288 192093535 /nfs/dbraw/zinc/09/35/35/192093535.db2.gz VVPUJXCMLOMTHK-LLVKDONJSA-N 1 2 208.305 2.555 20 0 BFADLO Fc1ccc(COc2cc[nH+]cc2)c(F)c1 ZINC000148316053 346034523 /nfs/dbraw/zinc/03/45/23/346034523.db2.gz HHABLSXWOFKNHU-UHFFFAOYSA-N 1 2 221.206 2.939 20 0 BFADLO COc1ccccc1C(C)(C)[NH2+]CC(F)F ZINC000171992116 346087628 /nfs/dbraw/zinc/08/76/28/346087628.db2.gz ZJCCOHRWCKBUEB-UHFFFAOYSA-N 1 2 229.270 2.785 20 0 BFADLO Cc1cccc(CC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000074932102 346097017 /nfs/dbraw/zinc/09/70/17/346097017.db2.gz WYKKGLDPOUQIAH-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO c1ccc2[nH+]c(NC[C@H]3CC34CC4)ccc2c1 ZINC000418993785 192095954 /nfs/dbraw/zinc/09/59/54/192095954.db2.gz PRZDEHRONLWKER-GFCCVEGCSA-N 1 2 224.307 2.869 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnc(C)o2)s1 ZINC000628227255 346174638 /nfs/dbraw/zinc/17/46/38/346174638.db2.gz ZKQAIYZODDIBKD-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1ccon1 ZINC000147784062 537954460 /nfs/dbraw/zinc/95/44/60/537954460.db2.gz ZFTZBZCLOPUZSR-ZDUSSCGKSA-N 1 2 232.258 2.591 20 0 BFADLO C[N@H+](Cc1cnc(C2CC2)o1)Cc1cccnc1 ZINC000628234701 346187964 /nfs/dbraw/zinc/18/79/64/346187964.db2.gz KOHUTMHZUDSUQU-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1cccnc1 ZINC000628234701 346187966 /nfs/dbraw/zinc/18/79/66/346187966.db2.gz KOHUTMHZUDSUQU-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO Cc1c[nH]c(CN2C[C@@H](C)c3ccccc32)[nH+]1 ZINC000628235788 346189792 /nfs/dbraw/zinc/18/97/92/346189792.db2.gz BYTDSJDJAIVGHL-SNVBAGLBSA-N 1 2 227.311 2.842 20 0 BFADLO Cc1c[nH]c(CN2CC3(CC3)c3ccccc32)[nH+]1 ZINC000628236293 346190184 /nfs/dbraw/zinc/19/01/84/346190184.db2.gz WNJJZJWSBMMEPM-UHFFFAOYSA-N 1 2 239.322 2.770 20 0 BFADLO Cc1c[nH]c(CN(C)Cc2cc(C)ccc2F)[nH+]1 ZINC000628252734 346228806 /nfs/dbraw/zinc/22/88/06/346228806.db2.gz FNDFADWNGKPCBK-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2cc(C)ccc2C)n1 ZINC000628252525 346224740 /nfs/dbraw/zinc/22/47/40/346224740.db2.gz XVNLTLYKDXMFSW-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2cc(C)ccc2C)n1 ZINC000628252525 346224744 /nfs/dbraw/zinc/22/47/44/346224744.db2.gz XVNLTLYKDXMFSW-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000626162337 346273076 /nfs/dbraw/zinc/27/30/76/346273076.db2.gz SJXDVISKOXSEHG-VMZHVLLKSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000626162337 346273078 /nfs/dbraw/zinc/27/30/78/346273078.db2.gz SJXDVISKOXSEHG-VMZHVLLKSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000626162346 346273182 /nfs/dbraw/zinc/27/31/82/346273182.db2.gz SNDCZCUHQVUFHY-OGOUPESXSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000626162346 346273185 /nfs/dbraw/zinc/27/31/85/346273185.db2.gz SNDCZCUHQVUFHY-OGOUPESXSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000626162335 346273348 /nfs/dbraw/zinc/27/33/48/346273348.db2.gz SJXDVISKOXSEHG-MXQLGCADSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000626162335 346273350 /nfs/dbraw/zinc/27/33/50/346273350.db2.gz SJXDVISKOXSEHG-MXQLGCADSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C/C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000626163835 346276211 /nfs/dbraw/zinc/27/62/11/346276211.db2.gz RGFVBPTXYMLEGJ-VUDBWIFFSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000626163835 346276214 /nfs/dbraw/zinc/27/62/14/346276214.db2.gz RGFVBPTXYMLEGJ-VUDBWIFFSA-N 1 2 237.372 2.716 20 0 BFADLO CC[N@H+](Cc1nc(C)c[nH]1)[C@@H](C)c1cccnc1 ZINC000628280897 346292850 /nfs/dbraw/zinc/29/28/50/346292850.db2.gz OBOFSJMCNQOJSZ-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1nc(C)c[nH]1)[C@@H](C)c1cccnc1 ZINC000628280897 346292853 /nfs/dbraw/zinc/29/28/53/346292853.db2.gz OBOFSJMCNQOJSZ-LBPRGKRZSA-N 1 2 244.342 2.696 20 0 BFADLO Cc1cccc(C(C)(C)[NH2+]Cc2ccn[nH]2)c1 ZINC000130446440 179028001 /nfs/dbraw/zinc/02/80/01/179028001.db2.gz KZOSGOKEJBYPOI-UHFFFAOYSA-N 1 2 229.327 2.743 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CC(F)(F)C1 ZINC000628281864 346291400 /nfs/dbraw/zinc/29/14/00/346291400.db2.gz CORKNEAPXVYJAT-PHDIDXHHSA-N 1 2 231.208 2.961 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccon2)c1C ZINC000271169053 179068327 /nfs/dbraw/zinc/06/83/27/179068327.db2.gz DBPDHCUWNKJYMM-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccon2)c1C ZINC000271169053 179068329 /nfs/dbraw/zinc/06/83/29/179068329.db2.gz DBPDHCUWNKJYMM-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)sc1C ZINC000679217966 488318021 /nfs/dbraw/zinc/31/80/21/488318021.db2.gz BTACFKXWEAPAEE-LDYMZIIASA-N 1 2 242.363 2.940 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)sc1C ZINC000679217966 488318023 /nfs/dbraw/zinc/31/80/23/488318023.db2.gz BTACFKXWEAPAEE-LDYMZIIASA-N 1 2 242.363 2.940 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccc(C)n2)o1 ZINC000356995033 179069292 /nfs/dbraw/zinc/06/92/92/179069292.db2.gz GDDQMWPXSNQTQV-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccc(C)n2)o1 ZINC000356995033 179069295 /nfs/dbraw/zinc/06/92/95/179069295.db2.gz GDDQMWPXSNQTQV-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO CC[N@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC000158697532 346400369 /nfs/dbraw/zinc/40/03/69/346400369.db2.gz PCLDQXMUGXSOPV-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO CC[N@@H+](Cc1cn[nH]c1C)Cc1ccccc1 ZINC000158697532 346400372 /nfs/dbraw/zinc/40/03/72/346400372.db2.gz PCLDQXMUGXSOPV-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1C ZINC000298452906 179065022 /nfs/dbraw/zinc/06/50/22/179065022.db2.gz ZYEQQBLUCDQHBV-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1C ZINC000298452906 179065023 /nfs/dbraw/zinc/06/50/23/179065023.db2.gz ZYEQQBLUCDQHBV-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C[N@@H+]2CCn3cncc3C2)c1C ZINC000291470996 179081126 /nfs/dbraw/zinc/08/11/26/179081126.db2.gz DUGVSRKCTNMQBI-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C[N@H+]2CCn3cncc3C2)c1C ZINC000291470996 179081129 /nfs/dbraw/zinc/08/11/29/179081129.db2.gz DUGVSRKCTNMQBI-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(CN2CCn3c[nH+]cc3C2)c1C ZINC000291470996 179081132 /nfs/dbraw/zinc/08/11/32/179081132.db2.gz DUGVSRKCTNMQBI-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000366665216 179076778 /nfs/dbraw/zinc/07/67/78/179076778.db2.gz QFOFQCHIRUBDCK-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cccc(C[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000366665216 179076780 /nfs/dbraw/zinc/07/67/80/179076780.db2.gz QFOFQCHIRUBDCK-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000309027031 179087800 /nfs/dbraw/zinc/08/78/00/179087800.db2.gz BFFSOFPBTBSOIM-UHFFFAOYSA-N 1 2 211.255 2.882 20 0 BFADLO Cc1nc(C(C)(C)[NH2+]Cc2cccc(C)c2)no1 ZINC000264276323 179088317 /nfs/dbraw/zinc/08/83/17/179088317.db2.gz FPYIAZSPROPWRS-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO COc1ccccc1/C=C\C[NH2+][C@@H](C)C(F)F ZINC000641793957 362732915 /nfs/dbraw/zinc/73/29/15/362732915.db2.gz QDTITNHYPGKHJQ-BXKUYDPTSA-N 1 2 241.281 2.952 20 0 BFADLO Cc1cccc(C[NH2+]C2CCCCC2)n1 ZINC000037898631 179091071 /nfs/dbraw/zinc/09/10/71/179091071.db2.gz ARJXFSCJLNNAKP-UHFFFAOYSA-N 1 2 204.317 2.812 20 0 BFADLO C[C@H]1CCCCC[N@@H+]1Cc1nnsc1Cl ZINC000069944802 349969621 /nfs/dbraw/zinc/96/96/21/349969621.db2.gz NHQYURPTSBVIPH-QMMMGPOBSA-N 1 2 245.779 2.956 20 0 BFADLO C[C@H]1CCCCC[N@H+]1Cc1nnsc1Cl ZINC000069944802 349969623 /nfs/dbraw/zinc/96/96/23/349969623.db2.gz NHQYURPTSBVIPH-QMMMGPOBSA-N 1 2 245.779 2.956 20 0 BFADLO CO[C@H](CC(C)C)C[N@H+](C)Cc1cscn1 ZINC000419207260 192103430 /nfs/dbraw/zinc/10/34/30/192103430.db2.gz MEQGDWVTIAYALD-GFCCVEGCSA-N 1 2 242.388 2.636 20 0 BFADLO CO[C@H](CC(C)C)C[N@@H+](C)Cc1cscn1 ZINC000419207260 192103431 /nfs/dbraw/zinc/10/34/31/192103431.db2.gz MEQGDWVTIAYALD-GFCCVEGCSA-N 1 2 242.388 2.636 20 0 BFADLO CC/C=C\CC[N@H+](CCOC)CC(F)F ZINC000342215593 346557814 /nfs/dbraw/zinc/55/78/14/346557814.db2.gz DVGFOBDRLGOMQU-PLNGDYQASA-N 1 2 221.291 2.556 20 0 BFADLO CC/C=C\CC[N@@H+](CCOC)CC(F)F ZINC000342215593 346557817 /nfs/dbraw/zinc/55/78/17/346557817.db2.gz DVGFOBDRLGOMQU-PLNGDYQASA-N 1 2 221.291 2.556 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679226741 488322458 /nfs/dbraw/zinc/32/24/58/488322458.db2.gz VTUHYUMCSKTVKH-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000679226741 488322459 /nfs/dbraw/zinc/32/24/59/488322459.db2.gz VTUHYUMCSKTVKH-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cccc([N@@H+](C)CCC[C@H](C)O)c1C ZINC000354870353 179115802 /nfs/dbraw/zinc/11/58/02/179115802.db2.gz ZAKHDDBZUPPVDC-LBPRGKRZSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cccc([N@H+](C)CCC[C@H](C)O)c1C ZINC000354870353 179115804 /nfs/dbraw/zinc/11/58/04/179115804.db2.gz ZAKHDDBZUPPVDC-LBPRGKRZSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc(C[S@](=O)C2CCCC2)c(C)[nH+]1 ZINC000187060521 346551370 /nfs/dbraw/zinc/55/13/70/346551370.db2.gz JFWVQOPPBVUFJF-INIZCTEOSA-N 1 2 237.368 2.890 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679228597 488322870 /nfs/dbraw/zinc/32/28/70/488322870.db2.gz YAAABDRXNRQSGV-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679228597 488322871 /nfs/dbraw/zinc/32/28/71/488322871.db2.gz YAAABDRXNRQSGV-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ccc(N[C@H]2CS[C@H](C)C2)c[nH+]1 ZINC000164750679 346622833 /nfs/dbraw/zinc/62/28/33/346622833.db2.gz PQVJTKQDCDGVLQ-MWLCHTKSSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1ccc(N[C@H]2CS[C@@H](C)C2)c[nH+]1 ZINC000164750434 346623014 /nfs/dbraw/zinc/62/30/14/346623014.db2.gz PQVJTKQDCDGVLQ-GXSJLCMTSA-N 1 2 208.330 2.696 20 0 BFADLO Fc1cc(Cl)ccc1COCc1[nH]cc[nH+]1 ZINC000187941946 346654288 /nfs/dbraw/zinc/65/42/88/346654288.db2.gz MQIDTIPPXZARQL-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(C)c1C ZINC000279260361 179131255 /nfs/dbraw/zinc/13/12/55/179131255.db2.gz TWFGEGVHHRSMSH-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCc2c1cccc2C)C(=O)OC ZINC000577144209 365835407 /nfs/dbraw/zinc/83/54/07/365835407.db2.gz LGBZQYQRKNVQLK-KBPBESRZSA-N 1 2 247.338 2.524 20 0 BFADLO Cc1cccc(NCc2c[nH+]c[nH]2)c1C ZINC000039415357 179148752 /nfs/dbraw/zinc/14/87/52/179148752.db2.gz CMKGHDCSSNKSSM-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1cccc(NCc2c[nH]c[nH+]2)c1C ZINC000039415357 179148753 /nfs/dbraw/zinc/14/87/53/179148753.db2.gz CMKGHDCSSNKSSM-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1ccc(CN(C)c2cc(C)[nH+]cn2)s1 ZINC000301236937 187371318 /nfs/dbraw/zinc/37/13/18/187371318.db2.gz IBTWMTIYWDJOSF-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO Cc1cccc(NCc2[nH+]ccn2C)c1Cl ZINC000124725440 179151202 /nfs/dbraw/zinc/15/12/02/179151202.db2.gz AARYONBUWBUWFH-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1cccc(NCc2[nH+]ccn2C)c1C ZINC000036804442 179152207 /nfs/dbraw/zinc/15/22/07/179152207.db2.gz PABGNVGNSGVTMC-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Fc1ccc(Cl)c(COCc2[nH]cc[nH+]2)c1 ZINC000188231940 346795846 /nfs/dbraw/zinc/79/58/46/346795846.db2.gz QHJUYFQVXMXYCV-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO Cc1nc2ccc(CNc3c[nH]c[nH+]3)cc2s1 ZINC000582094222 347208385 /nfs/dbraw/zinc/20/83/85/347208385.db2.gz AHSDCAHGGQXWDM-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO CO[C@H](C)CSCc1ccc(C)[nH+]c1C ZINC000184836061 347180386 /nfs/dbraw/zinc/18/03/86/347180386.db2.gz ZZNVNHNTHPKCGQ-SNVBAGLBSA-N 1 2 225.357 2.967 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2ccn[nH]2)c1C ZINC000115630176 179196830 /nfs/dbraw/zinc/19/68/30/179196830.db2.gz CDKXIYONMCVLGN-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705097 187373187 /nfs/dbraw/zinc/37/31/87/187373187.db2.gz BCHDAVGOEJYFTJ-CIQGVGRVSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705097 187373189 /nfs/dbraw/zinc/37/31/89/187373189.db2.gz BCHDAVGOEJYFTJ-CIQGVGRVSA-N 1 2 247.338 2.766 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@H+]2CC=CCC2)n1 ZINC000679324540 488337540 /nfs/dbraw/zinc/33/75/40/488337540.db2.gz VZWRBNXHZCDQQV-SNVBAGLBSA-N 1 2 221.304 2.516 20 0 BFADLO CC(C)c1noc([C@@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679324540 488337544 /nfs/dbraw/zinc/33/75/44/488337544.db2.gz VZWRBNXHZCDQQV-SNVBAGLBSA-N 1 2 221.304 2.516 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1cccnc1 ZINC000624148245 347265828 /nfs/dbraw/zinc/26/58/28/347265828.db2.gz ZCFKPJWQFFUJLW-SECBINFHSA-N 1 2 214.259 2.778 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000105496616 179217429 /nfs/dbraw/zinc/21/74/29/179217429.db2.gz POZPSIGGJAQEON-OAHLLOKOSA-N 1 2 241.338 2.804 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000679358319 488344388 /nfs/dbraw/zinc/34/43/88/488344388.db2.gz GLMLCDCUVJGDCU-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000679358319 488344390 /nfs/dbraw/zinc/34/43/90/488344390.db2.gz GLMLCDCUVJGDCU-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC1=CC[C@@](C)(C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921507 347451084 /nfs/dbraw/zinc/45/10/84/347451084.db2.gz SLEJNPDCLFNLCW-CQSZACIVSA-N 1 2 247.342 2.505 20 0 BFADLO CC1=CC[C@@](C)(C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921507 347451086 /nfs/dbraw/zinc/45/10/86/347451086.db2.gz SLEJNPDCLFNLCW-CQSZACIVSA-N 1 2 247.342 2.505 20 0 BFADLO C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924476 347455160 /nfs/dbraw/zinc/45/51/60/347455160.db2.gz LELBASTXJNPHOA-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924476 347455161 /nfs/dbraw/zinc/45/51/61/347455161.db2.gz LELBASTXJNPHOA-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO Fc1ccccc1CC[NH+]1CC(C(F)(F)F)C1 ZINC000571511948 323146335 /nfs/dbraw/zinc/14/63/35/323146335.db2.gz GHKISEOOJCMSBN-UHFFFAOYSA-N 1 2 247.235 2.862 20 0 BFADLO Cc1nnc(C[NH2+][C@H](c2ccccc2)C2CC2)o1 ZINC000192964629 365899557 /nfs/dbraw/zinc/89/95/57/365899557.db2.gz RVFZBVCQAOWNGU-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)Cc1cccc(F)c1 ZINC000577250872 365899685 /nfs/dbraw/zinc/89/96/85/365899685.db2.gz KILVZKNALNHKQZ-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176755120 365899750 /nfs/dbraw/zinc/89/97/50/365899750.db2.gz FEECKBRBZJYKEE-SNVBAGLBSA-N 1 2 235.331 2.961 20 0 BFADLO Cc1ccc(C[S@](=O)CCC2CC2)c(C)[nH+]1 ZINC000358151898 187379268 /nfs/dbraw/zinc/37/92/68/187379268.db2.gz OHLJHCHKQIYURE-MRXNPFEDSA-N 1 2 237.368 2.747 20 0 BFADLO COc1csc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000176820449 365907373 /nfs/dbraw/zinc/90/73/73/365907373.db2.gz QKXBCPSQZGXIER-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H]1C1CCC1 ZINC000577292300 365921002 /nfs/dbraw/zinc/92/10/02/365921002.db2.gz HWOSVBCUDJDJPI-NWDGAFQWSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCC[C@H]1C ZINC000593277366 347877502 /nfs/dbraw/zinc/87/75/02/347877502.db2.gz BIFHRYFVHQXVEQ-DGCLKSJQSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000361321997 187382415 /nfs/dbraw/zinc/38/24/15/187382415.db2.gz RZVOLGLJSPDHSF-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000361321997 187382416 /nfs/dbraw/zinc/38/24/16/187382416.db2.gz RZVOLGLJSPDHSF-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CCSCCNc1c[nH+]ccc1CC ZINC000593679697 347932187 /nfs/dbraw/zinc/93/21/87/347932187.db2.gz HRDUOUFCFJOEHU-UHFFFAOYSA-N 1 2 210.346 2.809 20 0 BFADLO CO[C@H](C)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000353262267 490117143 /nfs/dbraw/zinc/11/71/43/490117143.db2.gz ZREPWXHVIMDBJV-SNVBAGLBSA-N 1 2 242.388 2.733 20 0 BFADLO CSc1ccc(NCC2(F)CC2)[nH+]c1 ZINC000306214270 323172061 /nfs/dbraw/zinc/17/20/61/323172061.db2.gz MWHORSAVBGGDED-UHFFFAOYSA-N 1 2 212.293 2.718 20 0 BFADLO Cc1ccccc1[C@@H](O)CNc1cccc[nH+]1 ZINC000301255231 179326947 /nfs/dbraw/zinc/32/69/47/179326947.db2.gz SUYZVHAYVUGIGB-ZDUSSCGKSA-N 1 2 228.295 2.536 20 0 BFADLO c1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCOC1 ZINC000362314708 187383572 /nfs/dbraw/zinc/38/35/72/187383572.db2.gz GUCQUOQHFFNNBA-CYBMUJFWSA-N 1 2 231.339 2.866 20 0 BFADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCOC1 ZINC000362314708 187383574 /nfs/dbraw/zinc/38/35/74/187383574.db2.gz GUCQUOQHFFNNBA-CYBMUJFWSA-N 1 2 231.339 2.866 20 0 BFADLO CO[C@H](C)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC000353262267 490117135 /nfs/dbraw/zinc/11/71/35/490117135.db2.gz ZREPWXHVIMDBJV-SNVBAGLBSA-N 1 2 242.388 2.733 20 0 BFADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ncccn1 ZINC000361700035 179334700 /nfs/dbraw/zinc/33/47/00/179334700.db2.gz SWPPUCMJXCATIO-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ncccn1 ZINC000361700035 179334702 /nfs/dbraw/zinc/33/47/02/179334702.db2.gz SWPPUCMJXCATIO-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC(C)C)c1ccc(C)c(C)c1 ZINC000037966021 348013638 /nfs/dbraw/zinc/01/36/38/348013638.db2.gz ZBGHWQNOCHXWGZ-AWEZNQCLSA-N 1 2 249.354 2.763 20 0 BFADLO Cc1ccccc1[C@H](O)CNc1cccc[nH+]1 ZINC000301255230 179345491 /nfs/dbraw/zinc/34/54/91/179345491.db2.gz SUYZVHAYVUGIGB-CYBMUJFWSA-N 1 2 228.295 2.536 20 0 BFADLO CC[C@@H](C[N@H+](CC(F)F)CC1CCC1)OC ZINC000419236028 192111964 /nfs/dbraw/zinc/11/19/64/192111964.db2.gz ZWZISOINXJTMCL-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@@H](C[N@@H+](CC(F)F)CC1CCC1)OC ZINC000419236028 192111966 /nfs/dbraw/zinc/11/19/66/192111966.db2.gz ZWZISOINXJTMCL-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO Cc1ccc(N[C@H](C)CSCCF)c[nH+]1 ZINC000595028534 348174069 /nfs/dbraw/zinc/17/40/69/348174069.db2.gz DNDVSUPMQONFGV-SNVBAGLBSA-N 1 2 228.336 2.893 20 0 BFADLO F[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000306218303 187388510 /nfs/dbraw/zinc/38/85/10/187388510.db2.gz RBONPDSBAPCEEQ-RQJHMYQMSA-N 1 2 234.727 2.777 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000308967707 323182715 /nfs/dbraw/zinc/18/27/15/323182715.db2.gz WZRABNRBLZKMGF-LPEHRKFASA-N 1 2 206.289 2.547 20 0 BFADLO CC(C)(CF)[NH2+]Cc1cccc(O)c1Cl ZINC000339355672 187394863 /nfs/dbraw/zinc/39/48/63/187394863.db2.gz LDZHNQKDGFECPH-UHFFFAOYSA-N 1 2 231.698 2.883 20 0 BFADLO Cc1cccnc1[C@H]([NH2+]Cc1c[nH]cn1)C(C)C ZINC000172037893 179399854 /nfs/dbraw/zinc/39/98/54/179399854.db2.gz YRQQEQODHUNUGD-CYBMUJFWSA-N 1 2 244.342 2.600 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419360667 192127190 /nfs/dbraw/zinc/12/71/90/192127190.db2.gz SGDLEYQQEZWXMG-GHMZBOCLSA-N 1 2 247.338 2.776 20 0 BFADLO CC1(C)C[C@H](CNc2cccc[nH+]2)CCO1 ZINC000334807362 133750249 /nfs/dbraw/zinc/75/02/49/133750249.db2.gz QVQPTXSZSHQXTD-LLVKDONJSA-N 1 2 220.316 2.699 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H](O)c1ccccc1 ZINC000268968578 187398426 /nfs/dbraw/zinc/39/84/26/187398426.db2.gz LASAQWVRUJZPGM-GFCCVEGCSA-N 1 2 243.297 2.696 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H](O)c1ccccc1 ZINC000268968578 187398427 /nfs/dbraw/zinc/39/84/27/187398427.db2.gz LASAQWVRUJZPGM-GFCCVEGCSA-N 1 2 243.297 2.696 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@@H]1C ZINC000121506729 179707600 /nfs/dbraw/zinc/70/76/00/179707600.db2.gz GSPWUJWASVCKIG-ONGXEEELSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1ccccc1F ZINC000107292187 179708155 /nfs/dbraw/zinc/70/81/55/179708155.db2.gz DWQPWWVQZXQRLY-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC(C)C ZINC000120783032 179709774 /nfs/dbraw/zinc/70/97/74/179709774.db2.gz PPNIOQKSINQQGQ-LLVKDONJSA-N 1 2 235.331 2.946 20 0 BFADLO CC(C)n1nccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000394657716 349073371 /nfs/dbraw/zinc/07/33/71/349073371.db2.gz YLHSBRZTGRCPKZ-VIFPVBQESA-N 1 2 231.290 2.597 20 0 BFADLO Cc1csc(CCCNc2cccc[nH+]2)n1 ZINC000301190305 179768367 /nfs/dbraw/zinc/76/83/67/179768367.db2.gz RIZLZONXORCDJN-UHFFFAOYSA-N 1 2 233.340 2.891 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)no1 ZINC000640105280 538034435 /nfs/dbraw/zinc/03/44/35/538034435.db2.gz CFOHLXNYUNBGDC-CYBMUJFWSA-N 1 2 249.358 2.780 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)no1 ZINC000640105280 538034440 /nfs/dbraw/zinc/03/44/40/538034440.db2.gz CFOHLXNYUNBGDC-CYBMUJFWSA-N 1 2 249.358 2.780 20 0 BFADLO COc1cc(C[NH2+]CC(F)F)ccc1Cl ZINC000623522554 362943683 /nfs/dbraw/zinc/94/36/83/362943683.db2.gz OHRUXWFTKZZSEK-UHFFFAOYSA-N 1 2 235.661 2.703 20 0 BFADLO CC(C)c1nc(N2CCCC2(C)C)cc[nH+]1 ZINC000583474361 349261746 /nfs/dbraw/zinc/26/17/46/349261746.db2.gz WUMDIEKGZJWDEX-UHFFFAOYSA-N 1 2 219.332 2.979 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1CC=CCC1 ZINC000603784885 350032963 /nfs/dbraw/zinc/03/29/63/350032963.db2.gz BFYMTMWUIMLRGY-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO CC(C)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881337 350048013 /nfs/dbraw/zinc/04/80/13/350048013.db2.gz FGXHZWAFMSRYDN-SNVBAGLBSA-N 1 2 231.299 2.565 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@H](F)C2)[nH+]1 ZINC000336514133 180024985 /nfs/dbraw/zinc/02/49/85/180024985.db2.gz INWXCOINYUXOON-IUCAKERBSA-N 1 2 234.278 2.569 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1ccc(OC)c[nH+]1)OC ZINC000381154348 490320461 /nfs/dbraw/zinc/32/04/61/490320461.db2.gz MFEGOOPXXRUYES-ZYHUDNBSSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CCCCC3)[nH]c1C ZINC000628305875 350115245 /nfs/dbraw/zinc/11/52/45/350115245.db2.gz AIGIMQULWKXKJA-UHFFFAOYSA-N 1 2 233.359 2.793 20 0 BFADLO Cc1[nH]c(CN2CC3(C2)CCCCC3)[nH+]c1C ZINC000628305875 350115248 /nfs/dbraw/zinc/11/52/48/350115248.db2.gz AIGIMQULWKXKJA-UHFFFAOYSA-N 1 2 233.359 2.793 20 0 BFADLO Cc1nc([C@@H](C)[NH2+]Cc2ccco2)cs1 ZINC000022864031 180038426 /nfs/dbraw/zinc/03/84/26/180038426.db2.gz LZNCTJHKKGOEGF-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(C)oc2C)[nH]1 ZINC000331338972 180050470 /nfs/dbraw/zinc/05/04/70/180050470.db2.gz WIQJCOSJPSYXJP-BDAKNGLRSA-N 1 2 248.330 2.735 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cs1 ZINC000222469379 180050582 /nfs/dbraw/zinc/05/05/82/180050582.db2.gz WJRKYFSVWQWLBH-SFYZADRCSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nc([C@H](C)[NH2+]Cc2ccco2)cs1 ZINC000022864035 180051880 /nfs/dbraw/zinc/05/18/80/180051880.db2.gz LZNCTJHKKGOEGF-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)CC(C)C)ccc2n1C ZINC000296133907 180083088 /nfs/dbraw/zinc/08/30/88/180083088.db2.gz MZLRDOIGVMNUCO-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)C3CC3)cc2[nH+]1 ZINC000357201559 180095593 /nfs/dbraw/zinc/09/55/93/180095593.db2.gz DGQQWKURQKNKGW-MRVPVSSYSA-N 1 2 243.310 2.856 20 0 BFADLO Cc1nc(NC2CC(C)C2)c2c([nH+]1)CCCC2 ZINC000359729580 180067986 /nfs/dbraw/zinc/06/79/86/180067986.db2.gz NAZDKLPTCRVZAC-UHFFFAOYSA-N 1 2 231.343 2.874 20 0 BFADLO Cc1nc(N2CCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000180446717 180068476 /nfs/dbraw/zinc/06/84/76/180068476.db2.gz XZDGICHUQQWHIU-JTQLQIEISA-N 1 2 231.343 2.653 20 0 BFADLO Cc1nc(NCCOC(C)C)c2c([nH+]1)CCCC2 ZINC000273369263 180069901 /nfs/dbraw/zinc/06/99/01/180069901.db2.gz XLYUDQXTNVVBIP-UHFFFAOYSA-N 1 2 249.358 2.501 20 0 BFADLO Cc1nc(N[C@@H]2CC[C@@H](F)C2)c2c([nH+]1)CCCC2 ZINC000340908206 180070721 /nfs/dbraw/zinc/07/07/21/180070721.db2.gz HQNOJJUBGZMUQM-GHMZBOCLSA-N 1 2 249.333 2.966 20 0 BFADLO Clc1snnc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000306853709 490342459 /nfs/dbraw/zinc/34/24/59/490342459.db2.gz UDEKFBMALWSMNQ-CBAPKCEASA-N 1 2 243.763 2.566 20 0 BFADLO Clc1snnc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000306853709 490342463 /nfs/dbraw/zinc/34/24/63/490342463.db2.gz UDEKFBMALWSMNQ-CBAPKCEASA-N 1 2 243.763 2.566 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)s1 ZINC000278593483 180142910 /nfs/dbraw/zinc/14/29/10/180142910.db2.gz LHQMPGPGKRSJQT-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)s1 ZINC000278593483 180142914 /nfs/dbraw/zinc/14/29/14/180142914.db2.gz LHQMPGPGKRSJQT-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000331081005 180119355 /nfs/dbraw/zinc/11/93/55/180119355.db2.gz AHVWPHUNSWOGJY-CMPLNLGQSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1ncc(C[NH2+][C@H](C)c2nccs2)s1 ZINC000070650445 180158449 /nfs/dbraw/zinc/15/84/49/180158449.db2.gz LZSZMHDQHYMVOE-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1ncc(C[NH+]2Cc3ccccc3C2)s1 ZINC000106302903 180148361 /nfs/dbraw/zinc/14/83/61/180148361.db2.gz OZDKLCDTUXIONF-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000272917555 180193921 /nfs/dbraw/zinc/19/39/21/180193921.db2.gz PLQHUSCAPXUGSC-WCFLWFBJSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1nc(N2CC[C@H]2c2ccccc2)cc[nH+]1 ZINC000336450654 180195577 /nfs/dbraw/zinc/19/55/77/180195577.db2.gz AGXABXFJJIDZPL-ZDUSSCGKSA-N 1 2 225.295 2.736 20 0 BFADLO Cc1nc(NCCO[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000266361027 180197429 /nfs/dbraw/zinc/19/74/29/180197429.db2.gz KPNYDVBXWDUZAQ-YPMHNXCESA-N 1 2 249.358 2.792 20 0 BFADLO Cc1nc(N[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000054935796 180201972 /nfs/dbraw/zinc/20/19/72/180201972.db2.gz HOWUGPNFNGZOHV-MWLCHTKSSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000054935792 180203564 /nfs/dbraw/zinc/20/35/64/180203564.db2.gz HOWUGPNFNGZOHV-GXSJLCMTSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC000279167747 180205081 /nfs/dbraw/zinc/20/50/81/180205081.db2.gz UNWMBABKARIDPO-QWHCGFSZSA-N 1 2 243.285 2.892 20 0 BFADLO Cc1nc(N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc[nH+]1 ZINC000155303254 180206145 /nfs/dbraw/zinc/20/61/45/180206145.db2.gz MIPXFZSJVAOZNJ-VHDGCEQUSA-N 1 2 237.306 2.535 20 0 BFADLO Cc1nc(N[C@H]2CCO[C@@H](CC(C)C)C2)cc[nH+]1 ZINC000272009797 180207477 /nfs/dbraw/zinc/20/74/77/180207477.db2.gz MQCKHCGDTYGVKI-STQMWFEESA-N 1 2 249.358 2.791 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(CCC(C)C)no1 ZINC000285627560 180222403 /nfs/dbraw/zinc/22/24/03/180222403.db2.gz VZRYEDVSOWSCRW-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(CC(C)C)no1 ZINC000285222352 180223728 /nfs/dbraw/zinc/22/37/28/180223728.db2.gz FPGOYDAWQHPJGE-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO Cc1[nH+]cccc1NCc1ccnn1C(C)C ZINC000280103054 180226323 /nfs/dbraw/zinc/22/63/23/180226323.db2.gz BPIOXFDYVQESNO-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CSC[C@H]1C ZINC000295599797 180228435 /nfs/dbraw/zinc/22/84/35/180228435.db2.gz FPUZTSZAPQPTNI-LDYMZIIASA-N 1 2 208.330 2.553 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@@H]1CCCOC1 ZINC000309731738 180228728 /nfs/dbraw/zinc/22/87/28/180228728.db2.gz BHXSUGYXYGGUMW-ZYHUDNBSSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072366173 180315018 /nfs/dbraw/zinc/31/50/18/180315018.db2.gz APSBXYRCFLYWTQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072366173 180315021 /nfs/dbraw/zinc/31/50/21/180315021.db2.gz APSBXYRCFLYWTQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CCc1cc(N[C@@H](C)c2cccnc2)nc[nH+]1 ZINC000040765105 350394560 /nfs/dbraw/zinc/39/45/60/350394560.db2.gz XQMAJVIXPGANTA-JTQLQIEISA-N 1 2 228.299 2.607 20 0 BFADLO CCc1cc(N[C@H](C)c2ccccn2)nc[nH+]1 ZINC000040765110 350394646 /nfs/dbraw/zinc/39/46/46/350394646.db2.gz CAKCFVHEJZRMCJ-SNVBAGLBSA-N 1 2 228.299 2.607 20 0 BFADLO CCc1cc(NCc2cccc(C)c2)nc[nH+]1 ZINC000040765157 350395199 /nfs/dbraw/zinc/39/51/99/350395199.db2.gz FEBGTTASHVEPEM-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000179568784 180318612 /nfs/dbraw/zinc/31/86/12/180318612.db2.gz FLDIKJHWWGVABW-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncsc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000179568784 180318615 /nfs/dbraw/zinc/31/86/15/180318615.db2.gz FLDIKJHWWGVABW-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1ncsc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110541299 180323550 /nfs/dbraw/zinc/32/35/50/180323550.db2.gz VHSFHNUQACSZHW-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000336692879 350449499 /nfs/dbraw/zinc/44/94/99/350449499.db2.gz IVVPMRPZGGWTMO-SNVBAGLBSA-N 1 2 237.347 2.742 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000336692879 350449502 /nfs/dbraw/zinc/44/95/02/350449502.db2.gz IVVPMRPZGGWTMO-SNVBAGLBSA-N 1 2 237.347 2.742 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1[C@H](C)C[C@H]1C ZINC000547768803 323344999 /nfs/dbraw/zinc/34/49/99/323344999.db2.gz MTWCFCQNWKWQPP-BBBLOLIVSA-N 1 2 237.347 2.911 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1nccc(C)n1 ZINC000336721580 350477641 /nfs/dbraw/zinc/47/76/41/350477641.db2.gz ZMOHYIINVYQCQU-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1nccc(C)n1 ZINC000336721580 350477644 /nfs/dbraw/zinc/47/76/44/350477644.db2.gz ZMOHYIINVYQCQU-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC(C)C[N@H+](CC[C@H](C)O)c1ccccc1 ZINC000336646741 350561595 /nfs/dbraw/zinc/56/15/95/350561595.db2.gz FAXCECUKSYATSP-ZDUSSCGKSA-N 1 2 221.344 2.920 20 0 BFADLO CC(C)C[N@@H+](CC[C@H](C)O)c1ccccc1 ZINC000336646741 350561599 /nfs/dbraw/zinc/56/15/99/350561599.db2.gz FAXCECUKSYATSP-ZDUSSCGKSA-N 1 2 221.344 2.920 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000115603036 187470013 /nfs/dbraw/zinc/47/00/13/187470013.db2.gz PWFFKSAFPCFVAS-QWHCGFSZSA-N 1 2 249.354 2.906 20 0 BFADLO CC[N@H+](Cc1ccccc1)Cc1nccc(C)n1 ZINC000339655695 350772086 /nfs/dbraw/zinc/77/20/86/350772086.db2.gz HECFVFCDSASPKG-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO CC[N@@H+](Cc1ccccc1)Cc1nccc(C)n1 ZINC000339655695 350772092 /nfs/dbraw/zinc/77/20/92/350772092.db2.gz HECFVFCDSASPKG-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO Cc1[nH]c(CN2Cc3cccc(F)c3C2)[nH+]c1C ZINC000628308840 350784315 /nfs/dbraw/zinc/78/43/15/350784315.db2.gz NGGBSZJYPYJFNK-UHFFFAOYSA-N 1 2 245.301 2.681 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1CC=CCC1 ZINC000382525110 350853971 /nfs/dbraw/zinc/85/39/71/350853971.db2.gz FKGKUCYKOMJYAA-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CC=CCC1 ZINC000382525110 350853972 /nfs/dbraw/zinc/85/39/72/350853972.db2.gz FKGKUCYKOMJYAA-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@H](C)c2ccccn2)o1 ZINC000291790979 350960461 /nfs/dbraw/zinc/96/04/61/350960461.db2.gz BDUNFOSVDLWYCF-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CC(C)Oc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000397911704 350990025 /nfs/dbraw/zinc/99/00/25/350990025.db2.gz GLNPTEJMHGSQEG-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO C[C@@H]1C[NH+](Cc2cccc(F)c2F)C[C@@H](C)O1 ZINC000052916635 351078612 /nfs/dbraw/zinc/07/86/12/351078612.db2.gz UNVBQAUXGHHBQK-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO Cc1nocc1C[NH2+]Cc1cccc(F)c1F ZINC000398122018 363015211 /nfs/dbraw/zinc/01/52/11/363015211.db2.gz XFBSGUFRKUYZAR-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1oc(C)nc1C ZINC000266863206 351295573 /nfs/dbraw/zinc/29/55/73/351295573.db2.gz UWMOTMDAOGSQJK-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)SC ZINC000270146740 351375219 /nfs/dbraw/zinc/37/52/19/351375219.db2.gz BZKOJEGBUMCMBD-VIFPVBQESA-N 1 2 238.356 2.724 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2ccns2)n1 ZINC000404476678 351473421 /nfs/dbraw/zinc/47/34/21/351473421.db2.gz RUXMGWSYJFCTBA-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[N@H+](Cc1ccns1)Cc1ccccc1F ZINC000637854147 351713297 /nfs/dbraw/zinc/71/32/97/351713297.db2.gz ZYOJIQMWKVKMHV-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccns1)Cc1ccccc1F ZINC000637854147 351713299 /nfs/dbraw/zinc/71/32/99/351713299.db2.gz ZYOJIQMWKVKMHV-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000278424558 351762956 /nfs/dbraw/zinc/76/29/56/351762956.db2.gz YBSMVPZIPBNAAO-LBPRGKRZSA-N 1 2 248.326 2.540 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccns1 ZINC000637901540 351771738 /nfs/dbraw/zinc/77/17/38/351771738.db2.gz GIWPEJROVIGGEW-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccns1 ZINC000637901540 351771739 /nfs/dbraw/zinc/77/17/39/351771739.db2.gz GIWPEJROVIGGEW-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO c1[nH]cc(NC2CC3(C2)CCCCC3)[nH+]1 ZINC000577838571 366079431 /nfs/dbraw/zinc/07/94/31/366079431.db2.gz IXZYBVPPPJAFNF-UHFFFAOYSA-N 1 2 205.305 2.935 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1cscn1)OC ZINC000637974172 351849546 /nfs/dbraw/zinc/84/95/46/351849546.db2.gz RCUZXVIEVCBQJR-ZYHUDNBSSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1cscn1)OC ZINC000637974172 351849548 /nfs/dbraw/zinc/84/95/48/351849548.db2.gz RCUZXVIEVCBQJR-ZYHUDNBSSA-N 1 2 242.388 2.636 20 0 BFADLO c1cc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)sn1 ZINC000637992098 351868766 /nfs/dbraw/zinc/86/87/66/351868766.db2.gz QPARWMMSDPQFCY-LLVKDONJSA-N 1 2 248.355 2.593 20 0 BFADLO CCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000281810077 351910750 /nfs/dbraw/zinc/91/07/50/351910750.db2.gz FZHVUSJXKLXCQB-SNVBAGLBSA-N 1 2 236.315 2.855 20 0 BFADLO Cc1cc(C[NH+]2Cc3ccccc3C2)sn1 ZINC000638035571 351916953 /nfs/dbraw/zinc/91/69/53/351916953.db2.gz IQHXIOMMJGRVAV-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CC[C@@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284145530 351993035 /nfs/dbraw/zinc/99/30/35/351993035.db2.gz WHJYYOKCSSSJOM-BYAJROORSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876146 191150130 /nfs/dbraw/zinc/15/01/30/191150130.db2.gz GPKOMLNCMUWZDO-SMDDNHRTSA-N 1 2 243.310 2.709 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410873106 191150253 /nfs/dbraw/zinc/15/02/53/191150253.db2.gz BRBYMARYTFUPIJ-ZYHUDNBSSA-N 1 2 243.310 2.709 20 0 BFADLO CCC[C@H](C[N@H+](CC(F)F)C(C)C)OC ZINC000638177318 352040537 /nfs/dbraw/zinc/04/05/37/352040537.db2.gz KEEGQWLUAMBKTQ-SNVBAGLBSA-N 1 2 223.307 2.777 20 0 BFADLO CCC[C@H](C[N@@H+](CC(F)F)C(C)C)OC ZINC000638177318 352040542 /nfs/dbraw/zinc/04/05/42/352040542.db2.gz KEEGQWLUAMBKTQ-SNVBAGLBSA-N 1 2 223.307 2.777 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1CC12CC2 ZINC000527908581 323717627 /nfs/dbraw/zinc/71/76/27/323717627.db2.gz FIOIOCSONBTJDB-PRJMDXOYSA-N 1 2 207.239 2.715 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1cnns1 ZINC000289023682 352169657 /nfs/dbraw/zinc/16/96/57/352169657.db2.gz ANBDTGDSFRPVAY-UHFFFAOYSA-N 1 2 239.369 2.622 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1cnns1 ZINC000289023682 352169660 /nfs/dbraw/zinc/16/96/60/352169660.db2.gz ANBDTGDSFRPVAY-UHFFFAOYSA-N 1 2 239.369 2.622 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(C)[nH]1 ZINC000411127616 191161782 /nfs/dbraw/zinc/16/17/82/191161782.db2.gz BCZIOOAVHKPXME-LLVKDONJSA-N 1 2 244.342 2.696 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(C)[nH]1 ZINC000411127616 191161785 /nfs/dbraw/zinc/16/17/85/191161785.db2.gz BCZIOOAVHKPXME-LLVKDONJSA-N 1 2 244.342 2.696 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CSC(F)F ZINC000294797526 352385072 /nfs/dbraw/zinc/38/50/72/352385072.db2.gz BEUOAEZVBSFGAE-UHFFFAOYSA-N 1 2 246.282 2.538 20 0 BFADLO C[C@H]1C[C@H]1N(Cc1[nH+]ccn1C)c1ccccc1 ZINC000411925726 191231810 /nfs/dbraw/zinc/23/18/10/191231810.db2.gz NXCCFNXQFGSZKY-GXTWGEPZSA-N 1 2 241.338 2.835 20 0 BFADLO CC1(C)CC(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000334186605 352775499 /nfs/dbraw/zinc/77/54/99/352775499.db2.gz GSTUOVVWWFPETB-LLVKDONJSA-N 1 2 247.342 2.509 20 0 BFADLO CC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000334176801 352761661 /nfs/dbraw/zinc/76/16/61/352761661.db2.gz CRRXDDQRKNODGO-UHFFFAOYSA-N 1 2 217.316 2.558 20 0 BFADLO Cc1cc(N[C@@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000267232307 187845442 /nfs/dbraw/zinc/84/54/42/187845442.db2.gz VYYBVDLRPNZLIB-LLVKDONJSA-N 1 2 249.383 2.970 20 0 BFADLO CC(C)[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000334220699 352823432 /nfs/dbraw/zinc/82/34/32/352823432.db2.gz RZCWEXWZNYZZPD-SNVBAGLBSA-N 1 2 231.299 2.565 20 0 BFADLO CC/C=C/CC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000412069861 191251767 /nfs/dbraw/zinc/25/17/67/191251767.db2.gz HQVJLNDKSHVPOE-SNAWJCMRSA-N 1 2 235.331 2.735 20 0 BFADLO CC/C=C/CC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000412069861 191251769 /nfs/dbraw/zinc/25/17/69/191251769.db2.gz HQVJLNDKSHVPOE-SNAWJCMRSA-N 1 2 235.331 2.735 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)CC1(C)CCC1 ZINC000412077564 191252887 /nfs/dbraw/zinc/25/28/87/191252887.db2.gz RDOYKMIESKGKBL-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1(C)CCC1 ZINC000412077564 191252889 /nfs/dbraw/zinc/25/28/89/191252889.db2.gz RDOYKMIESKGKBL-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1c[nH+]c(CN2CC=C(C(C)(C)C)CC2)n1C ZINC000342807777 352861167 /nfs/dbraw/zinc/86/11/67/352861167.db2.gz PJQOLAVUVNPAHW-UHFFFAOYSA-N 1 2 247.386 2.907 20 0 BFADLO CNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000334263063 352896487 /nfs/dbraw/zinc/89/64/87/352896487.db2.gz VVBDAJYSIOBLKI-UHFFFAOYSA-N 1 2 225.295 2.644 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000334309462 352941635 /nfs/dbraw/zinc/94/16/35/352941635.db2.gz FQFHQSWAGMYDMM-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)cn1 ZINC000334309462 352941637 /nfs/dbraw/zinc/94/16/37/352941637.db2.gz FQFHQSWAGMYDMM-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO COc1ccc[nH+]c1NCc1cc(C2CC2)no1 ZINC000638822610 353003187 /nfs/dbraw/zinc/00/31/87/353003187.db2.gz FYGWVEVYZSBKEK-UHFFFAOYSA-N 1 2 245.282 2.568 20 0 BFADLO Cc1cc(F)cc2c1C[N@H+](Cc1ccno1)CC2 ZINC000334392045 353064113 /nfs/dbraw/zinc/06/41/13/353064113.db2.gz WVCVKPBYSZJGLK-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(F)cc2c1C[N@@H+](Cc1ccno1)CC2 ZINC000334392045 353064116 /nfs/dbraw/zinc/06/41/16/353064116.db2.gz WVCVKPBYSZJGLK-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Oc1ccc(F)c(CNc2cccc[nH+]2)c1F ZINC000334418480 353102212 /nfs/dbraw/zinc/10/22/12/353102212.db2.gz YPJOHCWXTLTJCW-UHFFFAOYSA-N 1 2 236.221 2.678 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCc3scnc32)on1 ZINC000623887456 353136352 /nfs/dbraw/zinc/13/63/52/353136352.db2.gz CKKQOXKLTVPTLE-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO CC(C)[C@H]1CC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000347697108 535202586 /nfs/dbraw/zinc/20/25/86/535202586.db2.gz HPTBYFBNNUXJAC-SNVBAGLBSA-N 1 2 229.274 2.509 20 0 BFADLO CC(C)[C@H]1CC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000347697108 535202589 /nfs/dbraw/zinc/20/25/89/535202589.db2.gz HPTBYFBNNUXJAC-SNVBAGLBSA-N 1 2 229.274 2.509 20 0 BFADLO Clc1ccc(CNc2cccc[nH+]2)o1 ZINC000232637898 353150155 /nfs/dbraw/zinc/15/01/55/353150155.db2.gz ATCAPRQANWHCCQ-UHFFFAOYSA-N 1 2 208.648 2.940 20 0 BFADLO CC(C)=CCN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000373774127 188076857 /nfs/dbraw/zinc/07/68/57/188076857.db2.gz FSSYETZWRWTUMM-UHFFFAOYSA-N 1 2 233.359 2.617 20 0 BFADLO FC(F)(F)COCC[NH+]1Cc2ccccc2C1 ZINC000106302995 180884898 /nfs/dbraw/zinc/88/48/98/180884898.db2.gz NRLAHMUNQZBXKD-UHFFFAOYSA-N 1 2 245.244 2.581 20 0 BFADLO c1c[nH+]c(COCCCCc2ccccc2)[nH]1 ZINC000186665736 188171435 /nfs/dbraw/zinc/17/14/35/188171435.db2.gz BIZLUPUVYCLEHZ-UHFFFAOYSA-N 1 2 230.311 2.949 20 0 BFADLO Cc1nc(N(CC(C)C)CC(C)C)cc[nH+]1 ZINC000339039683 188190916 /nfs/dbraw/zinc/19/09/16/188190916.db2.gz QRXZWPOHXPPKQB-UHFFFAOYSA-N 1 2 221.348 2.903 20 0 BFADLO Cc1ccnc(C[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000339654188 188192090 /nfs/dbraw/zinc/19/20/90/188192090.db2.gz SHYMOPWYXNTOQG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccnc(C[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000339654188 188192091 /nfs/dbraw/zinc/19/20/91/188192091.db2.gz SHYMOPWYXNTOQG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC(C)[N@H+](Cc1cccc(F)c1F)C1COC1 ZINC000295923032 188214474 /nfs/dbraw/zinc/21/44/74/188214474.db2.gz FEIJLLAYXRTFHO-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO CC(C)[N@@H+](Cc1cccc(F)c1F)C1COC1 ZINC000295923032 188214477 /nfs/dbraw/zinc/21/44/77/188214477.db2.gz FEIJLLAYXRTFHO-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO C/C=C(\CC)C(=O)Nc1cc[nH+]cc1CC ZINC000277328560 188202800 /nfs/dbraw/zinc/20/28/00/188202800.db2.gz XOCPEFRELRTDNQ-ONNFQVAWSA-N 1 2 218.300 2.939 20 0 BFADLO CC(C)[N@@H+](Cc1cocn1)Cc1ccco1 ZINC000278285548 188203885 /nfs/dbraw/zinc/20/38/85/188203885.db2.gz XAAMAFDOZLSNRJ-UHFFFAOYSA-N 1 2 220.272 2.678 20 0 BFADLO CC(C)[N@H+](Cc1cocn1)Cc1ccco1 ZINC000278285548 188203887 /nfs/dbraw/zinc/20/38/87/188203887.db2.gz XAAMAFDOZLSNRJ-UHFFFAOYSA-N 1 2 220.272 2.678 20 0 BFADLO Cc1cc(C)cc([C@@H](O)CNc2cccc[nH+]2)c1 ZINC000282270794 188207028 /nfs/dbraw/zinc/20/70/28/188207028.db2.gz OPDDLVIJRSIVPG-AWEZNQCLSA-N 1 2 242.322 2.844 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)s1 ZINC000134549111 538113145 /nfs/dbraw/zinc/11/31/45/538113145.db2.gz GBUDPRXEWWRJAI-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)s1 ZINC000134549088 538113188 /nfs/dbraw/zinc/11/31/88/538113188.db2.gz GBUDPRXEWWRJAI-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO CC(C)([NH2+]Cc1cocn1)c1ccccc1F ZINC000291669287 188211931 /nfs/dbraw/zinc/21/19/31/188211931.db2.gz GDQDXKPJKYTIDD-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO Cc1cc(N(C)[C@H]2CCCOC2)nc(C(C)C)[nH+]1 ZINC000343270304 353288997 /nfs/dbraw/zinc/28/89/97/353288997.db2.gz LTZGMSWLSDUSJS-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1oncc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336346664 188228976 /nfs/dbraw/zinc/22/89/76/188228976.db2.gz IIHURVYZYVXMTG-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1oncc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336346664 188228978 /nfs/dbraw/zinc/22/89/78/188228978.db2.gz IIHURVYZYVXMTG-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO CCOC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165317927 353301935 /nfs/dbraw/zinc/30/19/35/353301935.db2.gz HLSAOWUUVHGDGV-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO COc1ccc(NCc2ccc(C)o2)[nH+]c1 ZINC000225894607 538114611 /nfs/dbraw/zinc/11/46/11/538114611.db2.gz LJGCWCHDQPQBAU-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO C[C@@]1(C[NH+]2CC(F)C2)C[C@H]1c1ccccc1 ZINC000639039324 353319928 /nfs/dbraw/zinc/31/99/28/353319928.db2.gz RREMLNPKCGSRNI-KBPBESRZSA-N 1 2 219.303 2.834 20 0 BFADLO OCc1cccc(NCc2ccc(Cl)cc2)[nH+]1 ZINC000351267443 133967305 /nfs/dbraw/zinc/96/73/05/133967305.db2.gz HEDLGKDLQAFTKJ-UHFFFAOYSA-N 1 2 248.713 2.839 20 0 BFADLO CC[C@H](C)[C@H](C[N@H+](CC)CC(F)F)OC ZINC000639062148 353371401 /nfs/dbraw/zinc/37/14/01/353371401.db2.gz RDPJRMIRUVAHEE-UWVGGRQHSA-N 1 2 223.307 2.635 20 0 BFADLO CC[C@H](C)[C@H](C[N@@H+](CC)CC(F)F)OC ZINC000639062148 353371403 /nfs/dbraw/zinc/37/14/03/353371403.db2.gz RDPJRMIRUVAHEE-UWVGGRQHSA-N 1 2 223.307 2.635 20 0 BFADLO CC(C)[C@@H](C)SCc1ccc[nH+]c1N ZINC000232784710 353418695 /nfs/dbraw/zinc/41/86/95/353418695.db2.gz UOLVXNNKHPPIIT-SECBINFHSA-N 1 2 210.346 2.942 20 0 BFADLO COc1ccc(CN(C)c2cccc[nH+]2)cc1F ZINC000060622085 353490752 /nfs/dbraw/zinc/49/07/52/353490752.db2.gz UCGSRKXOFAUXGX-UHFFFAOYSA-N 1 2 246.285 2.866 20 0 BFADLO Fc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000049714788 180978576 /nfs/dbraw/zinc/97/85/76/180978576.db2.gz IWHZOMVKJZIJDX-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO CC(C)(C)C1=CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000162611870 363236144 /nfs/dbraw/zinc/23/61/44/363236144.db2.gz MENDJWNUSGOYMP-UHFFFAOYSA-N 1 2 246.354 2.757 20 0 BFADLO Cc1cc(C[NH+]2CC(c3ccccc3F)C2)no1 ZINC000334516789 353631847 /nfs/dbraw/zinc/63/18/47/353631847.db2.gz PWGJRFHIZMVXGL-UHFFFAOYSA-N 1 2 246.285 2.722 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2occc2C)o1 ZINC000231530409 353619003 /nfs/dbraw/zinc/61/90/03/353619003.db2.gz IMYGBIUTRIIJKP-JTQLQIEISA-N 1 2 220.272 2.735 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)o2)on1 ZINC000053403177 363248469 /nfs/dbraw/zinc/24/84/69/363248469.db2.gz XMCJAFPTUARCDJ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)o2)on1 ZINC000053403177 363248471 /nfs/dbraw/zinc/24/84/71/363248471.db2.gz XMCJAFPTUARCDJ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cscc2C)o1 ZINC000639111786 353701450 /nfs/dbraw/zinc/70/14/50/353701450.db2.gz ZMLPKTDBWSWCHH-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000157947191 181006755 /nfs/dbraw/zinc/00/67/55/181006755.db2.gz INUOOEVKCLNFEK-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000157947191 181006758 /nfs/dbraw/zinc/00/67/58/181006758.db2.gz INUOOEVKCLNFEK-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc(F)c1C[NH2+]Cc1ccccn1 ZINC000019956952 181000358 /nfs/dbraw/zinc/00/03/58/181000358.db2.gz QBWRYOIMGWNXMY-UHFFFAOYSA-N 1 2 234.249 2.650 20 0 BFADLO FC(F)c1nc2ccccc2c(-n2cc[nH+]c2)n1 ZINC000066451281 353798883 /nfs/dbraw/zinc/79/88/83/353798883.db2.gz AAZYVWAOQSYRFB-UHFFFAOYSA-N 1 2 246.220 2.753 20 0 BFADLO CCCC1(CNc2nc[nH+]c(N)c2Cl)CC1 ZINC000233061888 353798977 /nfs/dbraw/zinc/79/89/77/353798977.db2.gz YBTIWABWORAYLM-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CCCC1(CNc2[nH+]cnc(N)c2Cl)CC1 ZINC000233061888 353798979 /nfs/dbraw/zinc/79/89/79/353798979.db2.gz YBTIWABWORAYLM-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H](C)C2CC2)c(C)[nH+]1 ZINC000178410280 366122583 /nfs/dbraw/zinc/12/25/83/366122583.db2.gz FYBWDBKHLSLMLY-SNVBAGLBSA-N 1 2 232.327 2.991 20 0 BFADLO Cc1ccc(CC[NH2+]C2(C(F)F)CC2)cc1 ZINC000639140419 353848678 /nfs/dbraw/zinc/84/86/78/353848678.db2.gz XDMMPPHRJVCGCC-UHFFFAOYSA-N 1 2 225.282 2.925 20 0 BFADLO CCC[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000639137774 353854616 /nfs/dbraw/zinc/85/46/16/353854616.db2.gz IGWSUTVABOQFPM-GHMZBOCLSA-N 1 2 235.318 2.921 20 0 BFADLO CCC[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000639137774 353854619 /nfs/dbraw/zinc/85/46/19/353854619.db2.gz IGWSUTVABOQFPM-GHMZBOCLSA-N 1 2 235.318 2.921 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000639137672 353854683 /nfs/dbraw/zinc/85/46/83/353854683.db2.gz FVWYNTGHHSXSFM-MNOVXSKESA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCO1 ZINC000639137672 353854685 /nfs/dbraw/zinc/85/46/85/353854685.db2.gz FVWYNTGHHSXSFM-MNOVXSKESA-N 1 2 233.302 2.675 20 0 BFADLO C[C@H]1CN(c2cccc[nH+]2)CC(C)(C)C1 ZINC000343484045 353905267 /nfs/dbraw/zinc/90/52/67/353905267.db2.gz VUUJVXZZOFNKIQ-LLVKDONJSA-N 1 2 204.317 2.954 20 0 BFADLO CCCC(CCC)[S@](=O)Cc1c[nH+]cn1C ZINC000343618787 353946244 /nfs/dbraw/zinc/94/62/44/353946244.db2.gz UPFZUCMHHUYEFA-MRXNPFEDSA-N 1 2 242.388 2.638 20 0 BFADLO Cc1cc([NH2+]C[C@@H](O)C(C)(C)C)cc(C)c1O ZINC000577948668 366127349 /nfs/dbraw/zinc/12/73/49/366127349.db2.gz SEAGJPNAXSHNOL-GFCCVEGCSA-N 1 2 237.343 2.828 20 0 BFADLO CC(C)(C[NH2+]CC(F)F)Oc1ccccc1 ZINC000639162417 353954334 /nfs/dbraw/zinc/95/43/34/353954334.db2.gz OMOXPMNPQHTUQX-UHFFFAOYSA-N 1 2 229.270 2.699 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC3(CCCC3)CC2)n[nH]1 ZINC000334557742 354005356 /nfs/dbraw/zinc/00/53/56/354005356.db2.gz PHLMWWBFEVCDLF-NSHDSACASA-N 1 2 248.374 2.830 20 0 BFADLO CCC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000613455864 363299733 /nfs/dbraw/zinc/29/97/33/363299733.db2.gz JZMRQFCZOIGPPL-JSGCOSHPSA-N 1 2 249.354 2.987 20 0 BFADLO CC(C)(C)C1CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000334576061 354108019 /nfs/dbraw/zinc/10/80/19/354108019.db2.gz HQJNJMXTCBNTKG-UHFFFAOYSA-N 1 2 231.343 2.836 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000344119449 354143426 /nfs/dbraw/zinc/14/34/26/354143426.db2.gz OTSJSTGIQVDKFT-NWDGAFQWSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCC[C@@H](C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000344119449 354143428 /nfs/dbraw/zinc/14/34/28/354143428.db2.gz OTSJSTGIQVDKFT-NWDGAFQWSA-N 1 2 247.329 2.780 20 0 BFADLO FC1(F)COCC[N@H+](CCC2CCCC2)C1 ZINC000344104625 354160095 /nfs/dbraw/zinc/16/00/95/354160095.db2.gz HCDOCTZXLSOKHZ-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)COCC[N@@H+](CCC2CCCC2)C1 ZINC000344104625 354160097 /nfs/dbraw/zinc/16/00/97/354160097.db2.gz HCDOCTZXLSOKHZ-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOC[C@H]2C)s1 ZINC000334598924 354234299 /nfs/dbraw/zinc/23/42/99/354234299.db2.gz FFTKBDSKGBXTIK-SECBINFHSA-N 1 2 243.397 2.691 20 0 BFADLO CSc1ccc(C[N@H+]2CCOC[C@H]2C)s1 ZINC000334598924 354234300 /nfs/dbraw/zinc/23/43/00/354234300.db2.gz FFTKBDSKGBXTIK-SECBINFHSA-N 1 2 243.397 2.691 20 0 BFADLO CCC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000334604023 354284388 /nfs/dbraw/zinc/28/43/88/354284388.db2.gz YWQSYXNWXIAVJT-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CC[N@H+](Cc1ccon1)[C@@H](C)c1cccnc1 ZINC000639180839 354288438 /nfs/dbraw/zinc/28/84/38/354288438.db2.gz ZMMFVXMUYQIYOT-NSHDSACASA-N 1 2 231.299 2.653 20 0 BFADLO CC[N@@H+](Cc1ccon1)[C@@H](C)c1cccnc1 ZINC000639180839 354288440 /nfs/dbraw/zinc/28/84/40/354288440.db2.gz ZMMFVXMUYQIYOT-NSHDSACASA-N 1 2 231.299 2.653 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000334644541 354402876 /nfs/dbraw/zinc/40/28/76/354402876.db2.gz NFTIPIIRZGTRJI-GFCCVEGCSA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000334644541 354402878 /nfs/dbraw/zinc/40/28/78/354402878.db2.gz NFTIPIIRZGTRJI-GFCCVEGCSA-N 1 2 243.709 2.510 20 0 BFADLO C[C@@H]1CCC[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334669232 354409235 /nfs/dbraw/zinc/40/92/35/354409235.db2.gz VVNQLIOLRXRBON-GHMZBOCLSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1cc(NC(=O)c2c(C)cccc2C)cc[nH+]1 ZINC000334681125 354427143 /nfs/dbraw/zinc/42/71/43/354427143.db2.gz QFRKVXKOIZBDNB-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO CCC1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000334653259 354446595 /nfs/dbraw/zinc/44/65/95/354446595.db2.gz FHPPAZFXRQVBDU-SECBINFHSA-N 1 2 225.361 2.721 20 0 BFADLO CC(C)C(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334665148 354466863 /nfs/dbraw/zinc/46/68/63/354466863.db2.gz CRCPFNWKGAEAAU-UHFFFAOYSA-N 1 2 249.358 2.840 20 0 BFADLO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639189002 354441065 /nfs/dbraw/zinc/44/10/65/354441065.db2.gz WNIUFMBXJTXLFU-LURQLKTLSA-N 1 2 207.239 2.573 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)no1 ZINC000334727714 354527774 /nfs/dbraw/zinc/52/77/74/354527774.db2.gz MGVZYMLYSMWJPN-YGRLFVJLSA-N 1 2 244.294 2.595 20 0 BFADLO O=C(CC1CCCC1)Nc1c[nH+]c2n1CCCC2 ZINC000334696418 354488297 /nfs/dbraw/zinc/48/82/97/354488297.db2.gz OZWNEXCKWRGLNV-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1=CC[C@@H](C)CC1 ZINC000334697703 354489179 /nfs/dbraw/zinc/48/91/79/354489179.db2.gz WIZRRZDSOKODTM-SNVBAGLBSA-N 1 2 246.310 2.775 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)ncn1 ZINC000334699836 354492034 /nfs/dbraw/zinc/49/20/34/354492034.db2.gz QFJREEIUDOPUDW-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)ncn1 ZINC000334699836 354492035 /nfs/dbraw/zinc/49/20/35/354492035.db2.gz QFJREEIUDOPUDW-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cc(C)c(NC(=O)NC2CC(C)C2)c(C)[nH+]1 ZINC000334714636 354512578 /nfs/dbraw/zinc/51/25/78/354512578.db2.gz ZKDQXZUPHUAQOZ-UHFFFAOYSA-N 1 2 247.342 2.927 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000639200004 354602165 /nfs/dbraw/zinc/60/21/65/354602165.db2.gz CHYIAWYWROARKG-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO CC1(C)C[C@@H](CNc2cccc[nH+]2)CCO1 ZINC000334807364 354563924 /nfs/dbraw/zinc/56/39/24/354563924.db2.gz QVQPTXSZSHQXTD-NSHDSACASA-N 1 2 220.316 2.699 20 0 BFADLO C[C@H]1C[C@H](NC(=O)C2CCCCC2)c2[nH+]ccn21 ZINC000334744454 354547579 /nfs/dbraw/zinc/54/75/79/354547579.db2.gz RUENRZDTXFRTDX-JQWIXIFHSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(C(F)F)no1 ZINC000335090869 354626834 /nfs/dbraw/zinc/62/68/34/354626834.db2.gz JHJAPVCQZRHNMG-OCAPTIKFSA-N 1 2 245.273 2.770 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335090869 354626838 /nfs/dbraw/zinc/62/68/38/354626838.db2.gz JHJAPVCQZRHNMG-OCAPTIKFSA-N 1 2 245.273 2.770 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc(C(F)F)no1 ZINC000335092136 354628172 /nfs/dbraw/zinc/62/81/72/354628172.db2.gz ADCYOVWHBVICAG-JGVFFNPUSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335092136 354628174 /nfs/dbraw/zinc/62/81/74/354628174.db2.gz ADCYOVWHBVICAG-JGVFFNPUSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335112362 354699643 /nfs/dbraw/zinc/69/96/43/354699643.db2.gz NSUPQGUVCMYLPH-QMMMGPOBSA-N 1 2 245.273 2.629 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335112362 354699646 /nfs/dbraw/zinc/69/96/46/354699646.db2.gz NSUPQGUVCMYLPH-QMMMGPOBSA-N 1 2 245.273 2.629 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)n(C)n1 ZINC000335138877 354791076 /nfs/dbraw/zinc/79/10/76/354791076.db2.gz NBXRKYOWJJMHTE-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccc(C)cc3C2)n(C)n1 ZINC000335138877 354791077 /nfs/dbraw/zinc/79/10/77/354791077.db2.gz NBXRKYOWJJMHTE-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO CC(C)C[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232603539 363377185 /nfs/dbraw/zinc/37/71/85/363377185.db2.gz JHWRZZVNOLDAOB-SSDOTTSWSA-N 1 2 228.727 2.559 20 0 BFADLO CC(C)C[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232603539 363377188 /nfs/dbraw/zinc/37/71/88/363377188.db2.gz JHWRZZVNOLDAOB-SSDOTTSWSA-N 1 2 228.727 2.559 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C2CCCCC2)no1 ZINC000053602240 363416753 /nfs/dbraw/zinc/41/67/53/363416753.db2.gz PGQGWIRXZUSAAJ-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C2CCCCC2)no1 ZINC000053602240 363416756 /nfs/dbraw/zinc/41/67/56/363416756.db2.gz PGQGWIRXZUSAAJ-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CCCCc1nc(C[NH+]2CCC(C)CC2)no1 ZINC000053602490 363417992 /nfs/dbraw/zinc/41/79/92/363417992.db2.gz LTGWELREIOCLTQ-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)CCC2CC2)cc[nH+]1 ZINC000346379670 354905131 /nfs/dbraw/zinc/90/51/31/354905131.db2.gz IMWLTRSUNGFWQR-SNVBAGLBSA-N 1 2 247.342 2.512 20 0 BFADLO O=C(C1=CCCCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000335167715 354927476 /nfs/dbraw/zinc/92/74/76/354927476.db2.gz GIPGKBWPRXUIRW-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO COc1ccccc1[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000346611635 354993235 /nfs/dbraw/zinc/99/32/35/354993235.db2.gz OFVZGXCDFJIIIO-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO CC(C)C[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346885787 355144909 /nfs/dbraw/zinc/14/49/09/355144909.db2.gz CJVVSOAERQYFCQ-JTQLQIEISA-N 1 2 248.330 2.544 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cncc(F)c2)n1 ZINC000346991509 355190651 /nfs/dbraw/zinc/19/06/51/355190651.db2.gz VFLZRLWPGSBCSN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cncc(F)c2)n1 ZINC000346991509 355190654 /nfs/dbraw/zinc/19/06/54/355190654.db2.gz VFLZRLWPGSBCSN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO FC(F)C[N@H+](CCOC1CCC1)CC1CCC1 ZINC000346993157 355191445 /nfs/dbraw/zinc/19/14/45/355191445.db2.gz YIJYJKKLOUJTDV-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)C[N@@H+](CCOC1CCC1)CC1CCC1 ZINC000346993157 355191448 /nfs/dbraw/zinc/19/14/48/355191448.db2.gz YIJYJKKLOUJTDV-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC3(CCC3)C2)[nH+]1 ZINC000335258105 355196143 /nfs/dbraw/zinc/19/61/43/355196143.db2.gz BDWKHUCJIWOHNS-UHFFFAOYSA-N 1 2 242.326 2.647 20 0 BFADLO CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413087276 191355905 /nfs/dbraw/zinc/35/59/05/191355905.db2.gz DUOXVNRMHSMBOE-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413087276 191355908 /nfs/dbraw/zinc/35/59/08/191355908.db2.gz DUOXVNRMHSMBOE-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413085487 191355971 /nfs/dbraw/zinc/35/59/71/191355971.db2.gz PQMJRJZGEPTWKA-SNVBAGLBSA-N 1 2 234.347 2.532 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413085487 191355974 /nfs/dbraw/zinc/35/59/74/191355974.db2.gz PQMJRJZGEPTWKA-SNVBAGLBSA-N 1 2 234.347 2.532 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413126289 191357681 /nfs/dbraw/zinc/35/76/81/191357681.db2.gz SPOOIEVGJGIZCS-GXSJLCMTSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413126289 191357684 /nfs/dbraw/zinc/35/76/84/191357684.db2.gz SPOOIEVGJGIZCS-GXSJLCMTSA-N 1 2 232.331 2.651 20 0 BFADLO CC[C@H](C)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413145083 191358992 /nfs/dbraw/zinc/35/89/92/191358992.db2.gz NFAMBUUTXXPAJH-JTQLQIEISA-N 1 2 234.347 2.533 20 0 BFADLO CC[C@H](C)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413145083 191358995 /nfs/dbraw/zinc/35/89/95/191358995.db2.gz NFAMBUUTXXPAJH-JTQLQIEISA-N 1 2 234.347 2.533 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413145086 191359423 /nfs/dbraw/zinc/35/94/23/191359423.db2.gz NFAMBUUTXXPAJH-SNVBAGLBSA-N 1 2 234.347 2.533 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413145086 191359426 /nfs/dbraw/zinc/35/94/26/191359426.db2.gz NFAMBUUTXXPAJH-SNVBAGLBSA-N 1 2 234.347 2.533 20 0 BFADLO FC1(F)CCC(COCc2[nH]cc[nH+]2)CC1 ZINC000413001446 191335830 /nfs/dbraw/zinc/33/58/30/191335830.db2.gz PQMDFHOBVXQAHA-UHFFFAOYSA-N 1 2 230.258 2.752 20 0 BFADLO C[C@H]1C[C@H](C)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413024428 191343229 /nfs/dbraw/zinc/34/32/29/191343229.db2.gz MQTKNDLODGAYSN-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1C[C@H](C)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413024428 191343232 /nfs/dbraw/zinc/34/32/32/191343232.db2.gz MQTKNDLODGAYSN-QWRGUYRKSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413099061 191355075 /nfs/dbraw/zinc/35/50/75/191355075.db2.gz QXSGQTNLCKNWEA-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413099061 191355078 /nfs/dbraw/zinc/35/50/78/191355078.db2.gz QXSGQTNLCKNWEA-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC(C)[C@]1(C)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000413445239 191384521 /nfs/dbraw/zinc/38/45/21/191384521.db2.gz WLRHVNIJKCLLDT-RISCZKNCSA-N 1 2 231.343 2.622 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000413455168 191385987 /nfs/dbraw/zinc/38/59/87/191385987.db2.gz JPSNIHMNSFCTJN-AGIUHOORSA-N 1 2 243.354 2.685 20 0 BFADLO CCOC1C[NH+](Cc2csc(C)c2C)C1 ZINC000639249822 355281753 /nfs/dbraw/zinc/28/17/53/355281753.db2.gz HETFZWFWJWOEFY-UHFFFAOYSA-N 1 2 225.357 2.586 20 0 BFADLO Cc1cnc(C[NH+]2CC3(C2)CCCCC3)o1 ZINC000639249896 355282827 /nfs/dbraw/zinc/28/28/27/355282827.db2.gz JKYDIMDHMDOWNL-UHFFFAOYSA-N 1 2 220.316 2.749 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1F)c1ccon1 ZINC000349232426 355372086 /nfs/dbraw/zinc/37/20/86/355372086.db2.gz BZWAJGDKKNQXRZ-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(F)(F)F ZINC000639277470 355357400 /nfs/dbraw/zinc/35/74/00/355357400.db2.gz NMYFGSWWJFLAMI-KYXWUPHJSA-N 1 2 221.266 2.963 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000349787869 355462929 /nfs/dbraw/zinc/46/29/29/355462929.db2.gz NTLFEHFEUJZOQV-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000349787869 355462932 /nfs/dbraw/zinc/46/29/32/355462932.db2.gz NTLFEHFEUJZOQV-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)o1 ZINC000335801984 355470998 /nfs/dbraw/zinc/47/09/98/355470998.db2.gz AVENPDKFQYDXRP-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccon2)cn1 ZINC000349829895 355486954 /nfs/dbraw/zinc/48/69/54/355486954.db2.gz IIZOYZCXBIFOEH-QWRGUYRKSA-N 1 2 248.330 2.864 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349830426 355488054 /nfs/dbraw/zinc/48/80/54/355488054.db2.gz GFJCCOLHMRANQZ-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO CCc1cc[nH+]cc1NCc1ncc(C)o1 ZINC000639293737 355530626 /nfs/dbraw/zinc/53/06/26/355530626.db2.gz FWACBOQRWAUMJZ-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CS[C@@H](C)C1 ZINC000639294107 355553700 /nfs/dbraw/zinc/55/37/00/355553700.db2.gz IQMPKCGLCMVGTQ-ONGXEEELSA-N 1 2 222.357 2.950 20 0 BFADLO CCc1cc[nH+]cc1NCCC[C@H]1CCO1 ZINC000639296511 355594604 /nfs/dbraw/zinc/59/46/04/355594604.db2.gz VNQXAQCIPKXFNW-LBPRGKRZSA-N 1 2 220.316 2.625 20 0 BFADLO CSc1ccc[nH+]c1NCCC[C@@H]1CCO1 ZINC000639297106 355601351 /nfs/dbraw/zinc/60/13/51/355601351.db2.gz ZEUATPBUMOURPG-SNVBAGLBSA-N 1 2 238.356 2.785 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000639302407 355647895 /nfs/dbraw/zinc/64/78/95/355647895.db2.gz FFXYJWIXYBEAPJ-QWRGUYRKSA-N 1 2 234.343 2.796 20 0 BFADLO C[N@H+](Cc1ccc(Cl)o1)Cc1ccccn1 ZINC000350397812 355696483 /nfs/dbraw/zinc/69/64/83/355696483.db2.gz ZSFBTOHJQMEPMY-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)o1)Cc1ccccn1 ZINC000350397812 355696485 /nfs/dbraw/zinc/69/64/85/355696485.db2.gz ZSFBTOHJQMEPMY-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CC1=C[C@@H](C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000335882819 355672581 /nfs/dbraw/zinc/67/25/81/355672581.db2.gz XESWLOMFKANRKB-SNVBAGLBSA-N 1 2 229.327 2.756 20 0 BFADLO COCc1cc[nH+]c(NCc2cc(C)ns2)c1 ZINC000639312481 355678089 /nfs/dbraw/zinc/67/80/89/355678089.db2.gz FVIOTOWNVGKBFR-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO FC(F)(F)c1cc(C[N@@H+]2CCC23CCC3)[nH]n1 ZINC000335892502 355685146 /nfs/dbraw/zinc/68/51/46/355685146.db2.gz KRODGYYTWIYCBH-UHFFFAOYSA-N 1 2 245.248 2.557 20 0 BFADLO FC(F)(F)c1cc(C[N@H+]2CCC23CCC3)[nH]n1 ZINC000335892502 355685149 /nfs/dbraw/zinc/68/51/49/355685149.db2.gz KRODGYYTWIYCBH-UHFFFAOYSA-N 1 2 245.248 2.557 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000336011155 134051375 /nfs/dbraw/zinc/05/13/75/134051375.db2.gz BJEFONYMYBPGLH-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)no1 ZINC000336011155 134051376 /nfs/dbraw/zinc/05/13/76/134051376.db2.gz BJEFONYMYBPGLH-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO C(c1noc(C2CC2)n1)[NH+]1C2CCCC1CCC2 ZINC000608499189 355827828 /nfs/dbraw/zinc/82/78/28/355827828.db2.gz COIHOZAEEUJDNH-UHFFFAOYSA-N 1 2 247.342 2.854 20 0 BFADLO Fc1ccc(C[NH+]2Cc3ccccc3C2)nc1 ZINC000336051518 134064920 /nfs/dbraw/zinc/06/49/20/134064920.db2.gz KVMNLYQJMGFLRD-UHFFFAOYSA-N 1 2 228.270 2.737 20 0 BFADLO Cc1cn2cc(NC(=O)N(C)C(C)C)ccc2[nH+]1 ZINC000336062990 134069424 /nfs/dbraw/zinc/06/94/24/134069424.db2.gz RDDQVSDKVLLURD-UHFFFAOYSA-N 1 2 246.314 2.515 20 0 BFADLO CC(C)=CC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608751288 355963608 /nfs/dbraw/zinc/96/36/08/355963608.db2.gz SRQLYENYZZARCK-ZJUUUORDSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608751288 355963613 /nfs/dbraw/zinc/96/36/13/355963613.db2.gz SRQLYENYZZARCK-ZJUUUORDSA-N 1 2 237.265 2.604 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)c1ccon1 ZINC000351591360 356023599 /nfs/dbraw/zinc/02/35/99/356023599.db2.gz DJABVEWLJKUNNJ-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1 ZINC000351592250 356023895 /nfs/dbraw/zinc/02/38/95/356023895.db2.gz JIIYIWJLVYGINF-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccon2)c1 ZINC000351592306 356024447 /nfs/dbraw/zinc/02/44/47/356024447.db2.gz JPHDFMDTYQJAGM-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCN1c1cccc[nH+]1 ZINC000336080315 134075404 /nfs/dbraw/zinc/07/54/04/134075404.db2.gz JXVVNPXZAJYKTR-IUCAKERBSA-N 1 2 230.233 2.859 20 0 BFADLO C[C@@H]1COCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000351894554 356163926 /nfs/dbraw/zinc/16/39/26/356163926.db2.gz XXRDUNNHYMQYOW-ZZKXABKFSA-N 1 2 235.302 2.560 20 0 BFADLO CC1(C)C[NH+](Cc2cccc(F)c2F)C1 ZINC000639403633 356196640 /nfs/dbraw/zinc/19/66/40/356196640.db2.gz HEKAKLFUFAUUER-UHFFFAOYSA-N 1 2 211.255 2.807 20 0 BFADLO CC1(C)C[NH+](Cc2c(F)cccc2F)C1 ZINC000639404979 356200251 /nfs/dbraw/zinc/20/02/51/356200251.db2.gz KQOVWZPSIJKDFN-UHFFFAOYSA-N 1 2 211.255 2.807 20 0 BFADLO CC[N@H+](C[C@H]1CCCO1)CC(F)(F)CC ZINC000639466294 356252776 /nfs/dbraw/zinc/25/27/76/356252776.db2.gz RTFWRCHDTLKJCP-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC[N@@H+](C[C@H]1CCCO1)CC(F)(F)CC ZINC000639466294 356252780 /nfs/dbraw/zinc/25/27/80/356252780.db2.gz RTFWRCHDTLKJCP-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO Cc1cc(N2CC3(CCC3)C[C@H]2C)nc[nH+]1 ZINC000336138203 134096770 /nfs/dbraw/zinc/09/67/70/134096770.db2.gz GZZRYIGSLMLIFQ-LLVKDONJSA-N 1 2 217.316 2.554 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@](C)(F)C2)s1 ZINC000336360628 356349372 /nfs/dbraw/zinc/34/93/72/356349372.db2.gz UXBHAMZFDDLCOC-NSHDSACASA-N 1 2 228.336 2.639 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@](C)(F)C2)s1 ZINC000336360628 356349376 /nfs/dbraw/zinc/34/93/76/356349376.db2.gz UXBHAMZFDDLCOC-NSHDSACASA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)no1 ZINC000193720971 356355420 /nfs/dbraw/zinc/35/54/20/356355420.db2.gz FDQUFFICALGVQB-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)no1 ZINC000193720971 356355423 /nfs/dbraw/zinc/35/54/23/356355423.db2.gz FDQUFFICALGVQB-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cocn2)n1 ZINC000191078671 358502942 /nfs/dbraw/zinc/50/29/42/358502942.db2.gz SFOURLGGYQRRLK-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cocn2)n1 ZINC000191078671 358502945 /nfs/dbraw/zinc/50/29/45/358502945.db2.gz SFOURLGGYQRRLK-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO CCOc1ccccc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000041014281 358505117 /nfs/dbraw/zinc/50/51/17/358505117.db2.gz RTEGTSLVVIPHMJ-NSHDSACASA-N 1 2 245.326 2.659 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000639555701 356458486 /nfs/dbraw/zinc/45/84/86/356458486.db2.gz RGEMWTFRSNVYJE-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000639555701 356458488 /nfs/dbraw/zinc/45/84/88/356458488.db2.gz RGEMWTFRSNVYJE-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCc1ccncc1 ZINC000639554884 356460312 /nfs/dbraw/zinc/46/03/12/356460312.db2.gz PIBHJRJJOICXIU-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCc1ccncc1 ZINC000639554884 356460314 /nfs/dbraw/zinc/46/03/14/356460314.db2.gz PIBHJRJJOICXIU-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO O=C(C[N@@H+]1CCCC2(CC2)C1)c1ccccc1F ZINC000639589656 356512591 /nfs/dbraw/zinc/51/25/91/356512591.db2.gz QNGLXGXSNXIFJO-UHFFFAOYSA-N 1 2 247.313 2.884 20 0 BFADLO O=C(C[N@H+]1CCCC2(CC2)C1)c1ccccc1F ZINC000639589656 356512596 /nfs/dbraw/zinc/51/25/96/356512596.db2.gz QNGLXGXSNXIFJO-UHFFFAOYSA-N 1 2 247.313 2.884 20 0 BFADLO Cc1cc(C)c(CN2CCC(F)(F)C2)c(C)[nH+]1 ZINC000639569907 356494214 /nfs/dbraw/zinc/49/42/14/356494214.db2.gz JNGKTXCQBZOEIO-UHFFFAOYSA-N 1 2 240.297 2.848 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](CO)c1sccc1C ZINC000639595935 356514449 /nfs/dbraw/zinc/51/44/49/356514449.db2.gz PHDVMEWWSUYJLE-VIFPVBQESA-N 1 2 249.326 2.725 20 0 BFADLO CC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000639568432 356494482 /nfs/dbraw/zinc/49/44/82/356494482.db2.gz FNWVFRYOYZJPKL-MRVPVSSYSA-N 1 2 229.682 2.719 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](CO)c1ccccc1C ZINC000639594464 356513754 /nfs/dbraw/zinc/51/37/54/356513754.db2.gz DOGYZLOCCSMATO-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](CO)c1ccccc1C ZINC000639594463 356513888 /nfs/dbraw/zinc/51/38/88/356513888.db2.gz DOGYZLOCCSMATO-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO CCC1CC[NH+](Cc2nn(C)cc2Cl)CC1 ZINC000420907307 192269323 /nfs/dbraw/zinc/26/93/23/192269323.db2.gz VAFQKCIWUDSSOC-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000639596690 356515746 /nfs/dbraw/zinc/51/57/46/356515746.db2.gz XOOXUOVWIFDQEV-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000639596690 356515750 /nfs/dbraw/zinc/51/57/50/356515750.db2.gz XOOXUOVWIFDQEV-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CC(C)CN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000301266096 356515968 /nfs/dbraw/zinc/51/59/68/356515968.db2.gz MITCKCRWFDZFQI-UHFFFAOYSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1ccccc1[N@@H+](C[C@H]1C[C@@H](O)C1)C(C)C ZINC000420937637 192288720 /nfs/dbraw/zinc/28/87/20/192288720.db2.gz OPBKZOGULFGMGE-OKILXGFUSA-N 1 2 233.355 2.981 20 0 BFADLO Cc1ccccc1[N@H+](C[C@H]1C[C@@H](O)C1)C(C)C ZINC000420937637 192288724 /nfs/dbraw/zinc/28/87/24/192288724.db2.gz OPBKZOGULFGMGE-OKILXGFUSA-N 1 2 233.355 2.981 20 0 BFADLO Cc1cccc2nc(N3CCCC[NH2+]3)sc21 ZINC000336195821 134125797 /nfs/dbraw/zinc/12/57/97/134125797.db2.gz HOOZBPAOTJXMJN-UHFFFAOYSA-N 1 2 233.340 2.710 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1nc2ccccc2[nH]1 ZINC000179664747 366282701 /nfs/dbraw/zinc/28/27/01/366282701.db2.gz FWSYEIQQSZJDCZ-JTQLQIEISA-N 1 2 247.367 2.500 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1nc2ccccc2[nH]1 ZINC000179664747 366282703 /nfs/dbraw/zinc/28/27/03/366282703.db2.gz FWSYEIQQSZJDCZ-JTQLQIEISA-N 1 2 247.367 2.500 20 0 BFADLO Clc1ccc(C[N@@H+]2CC[C@]23CCOC3)s1 ZINC000421017598 192305004 /nfs/dbraw/zinc/30/50/04/192305004.db2.gz KHWOBQPTOVJSTH-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1ccc(C[N@H+]2CC[C@]23CCOC3)s1 ZINC000421017598 192305006 /nfs/dbraw/zinc/30/50/06/192305006.db2.gz KHWOBQPTOVJSTH-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO CC[C@H](C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000421065640 192308447 /nfs/dbraw/zinc/30/84/47/192308447.db2.gz KHYVNELWFLQWSR-VIFPVBQESA-N 1 2 235.331 2.866 20 0 BFADLO CCCC[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OC ZINC000352270402 134129816 /nfs/dbraw/zinc/12/98/16/134129816.db2.gz GFVCFCQTFYWDJM-LLVKDONJSA-N 1 2 245.338 2.590 20 0 BFADLO CCC[N@H+](Cc1nn(C)c(C)c1Cl)C1CC1 ZINC000421328023 192317963 /nfs/dbraw/zinc/31/79/63/192317963.db2.gz LBLSXWNLZIKCDG-UHFFFAOYSA-N 1 2 241.766 2.756 20 0 BFADLO CCC[N@@H+](Cc1nn(C)c(C)c1Cl)C1CC1 ZINC000421328023 192317966 /nfs/dbraw/zinc/31/79/66/192317966.db2.gz LBLSXWNLZIKCDG-UHFFFAOYSA-N 1 2 241.766 2.756 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000449891315 202049172 /nfs/dbraw/zinc/04/91/72/202049172.db2.gz JYQVOSUBXHILHL-CHWSQXEVSA-N 1 2 246.354 2.687 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@@H]1CC ZINC000449893508 202049211 /nfs/dbraw/zinc/04/92/11/202049211.db2.gz YCUDERSTKCXCKE-AAEUAGOBSA-N 1 2 246.354 2.831 20 0 BFADLO FCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000336210385 134134312 /nfs/dbraw/zinc/13/43/12/134134312.db2.gz INIJGZZGPIENIK-UHFFFAOYSA-N 1 2 248.754 2.978 20 0 BFADLO CC1(C)CO[C@H](C[N@@H+]2Cc3cccc(F)c3C2)C1 ZINC000639671578 356587969 /nfs/dbraw/zinc/58/79/69/356587969.db2.gz WRSQSOWGYKIZJK-LBPRGKRZSA-N 1 2 249.329 2.956 20 0 BFADLO CC1(C)CO[C@H](C[N@H+]2Cc3cccc(F)c3C2)C1 ZINC000639671578 356587974 /nfs/dbraw/zinc/58/79/74/356587974.db2.gz WRSQSOWGYKIZJK-LBPRGKRZSA-N 1 2 249.329 2.956 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000639694314 356604071 /nfs/dbraw/zinc/60/40/71/356604071.db2.gz XWTDHGSRIJFDCE-LBPRGKRZSA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000639694314 356604075 /nfs/dbraw/zinc/60/40/75/356604075.db2.gz XWTDHGSRIJFDCE-LBPRGKRZSA-N 1 2 240.297 2.916 20 0 BFADLO Fc1ccc(Cl)cc1C[NH2+]Cc1cocn1 ZINC000381497769 538467715 /nfs/dbraw/zinc/46/77/15/538467715.db2.gz NGOTZYSPIBMQTD-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO C1=C(CCN2CC[NH+](C3CC3)CC2)CCCC1 ZINC000450297489 202124094 /nfs/dbraw/zinc/12/40/94/202124094.db2.gz IXKAHHPRXSKAID-UHFFFAOYSA-N 1 2 234.387 2.657 20 0 BFADLO C[NH+](C)Cc1nc(CCC2CCCCC2)no1 ZINC000350633311 366312966 /nfs/dbraw/zinc/31/29/66/366312966.db2.gz FWAZSMHQKBIYTD-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1ncccc1C[NH2+][C@H](C)c1cscn1 ZINC000578143913 366323460 /nfs/dbraw/zinc/32/34/60/366323460.db2.gz BSHWZBMJPOTRSW-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc(Cn2c[nH+]c3cc(C)c(C)cc32)co1 ZINC000578143191 366323743 /nfs/dbraw/zinc/32/37/43/366323743.db2.gz FQUZYBAPDGTKCD-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cncc(F)c1 ZINC000389482349 356688631 /nfs/dbraw/zinc/68/86/31/356688631.db2.gz HPBVVXVJPTXFRL-SFYZADRCSA-N 1 2 232.249 2.915 20 0 BFADLO CCc1nnc(C[N@H+](C)[C@H](C)c2ccccc2)o1 ZINC000054115836 363561787 /nfs/dbraw/zinc/56/17/87/363561787.db2.gz FMRAWQXKUAXTKX-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)o1 ZINC000054115836 363561794 /nfs/dbraw/zinc/56/17/94/363561794.db2.gz FMRAWQXKUAXTKX-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389462239 356681263 /nfs/dbraw/zinc/68/12/63/356681263.db2.gz GWEJFCGWGCUPCU-VIFPVBQESA-N 1 2 229.270 2.829 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1F)C(C)(F)F ZINC000389466482 356681930 /nfs/dbraw/zinc/68/19/30/356681930.db2.gz LCJCFRNAPQGYQS-MRVPVSSYSA-N 1 2 217.234 2.959 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389469598 356684415 /nfs/dbraw/zinc/68/44/15/356684415.db2.gz ONKGYONBQFDINR-VIFPVBQESA-N 1 2 229.270 2.829 20 0 BFADLO CC(C)n1cc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000389478713 356685158 /nfs/dbraw/zinc/68/51/58/356685158.db2.gz CENIPQDPGMCPDE-VIFPVBQESA-N 1 2 231.290 2.597 20 0 BFADLO FC(F)C[N@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450398129 202153416 /nfs/dbraw/zinc/15/34/16/202153416.db2.gz ZLSZOGKRQKCQBU-UHFFFAOYSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)C[N@@H+](CC1CC(F)(F)C1)C1CC1 ZINC000450398129 202153417 /nfs/dbraw/zinc/15/34/17/202153417.db2.gz ZLSZOGKRQKCQBU-UHFFFAOYSA-N 1 2 225.229 2.761 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000054172073 363563900 /nfs/dbraw/zinc/56/39/00/363563900.db2.gz OHVJFJQXDAGIMR-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000054172073 363563906 /nfs/dbraw/zinc/56/39/06/363563906.db2.gz OHVJFJQXDAGIMR-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(C)cc1OC ZINC000153361901 538573639 /nfs/dbraw/zinc/57/36/39/538573639.db2.gz PCSIUPORSSSSOW-NSHDSACASA-N 1 2 223.316 2.698 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(C)cc1OC ZINC000153361814 538573744 /nfs/dbraw/zinc/57/37/44/538573744.db2.gz PCSIUPORSSSSOW-LLVKDONJSA-N 1 2 223.316 2.698 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000639829041 356812702 /nfs/dbraw/zinc/81/27/02/356812702.db2.gz RFBHIIZJFCABHT-UHFFFAOYSA-N 1 2 235.302 2.627 20 0 BFADLO CC(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000639829041 356812704 /nfs/dbraw/zinc/81/27/04/356812704.db2.gz RFBHIIZJFCABHT-UHFFFAOYSA-N 1 2 235.302 2.627 20 0 BFADLO CC[N@H+](Cc1nc([C@H](C)C2CC2)no1)C1CC1 ZINC000357593767 356838232 /nfs/dbraw/zinc/83/82/32/356838232.db2.gz IQGLEUWUYSYPMR-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO CC[N@@H+](Cc1nc([C@H](C)C2CC2)no1)C1CC1 ZINC000357593767 356838235 /nfs/dbraw/zinc/83/82/35/356838235.db2.gz IQGLEUWUYSYPMR-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CCCCN1c1nc(N)c2ccccc2[nH+]1 ZINC000041146383 356858562 /nfs/dbraw/zinc/85/85/62/356858562.db2.gz QBIQWTJRUVDOSL-SNVBAGLBSA-N 1 2 242.326 2.591 20 0 BFADLO CC[N@H+](CC[C@@H](C)O)c1cc(C)ccc1C ZINC000450515731 202188924 /nfs/dbraw/zinc/18/89/24/202188924.db2.gz IYMVTBWZLIHXLB-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@@H](C)O)c1cc(C)ccc1C ZINC000450515731 202188926 /nfs/dbraw/zinc/18/89/26/202188926.db2.gz IYMVTBWZLIHXLB-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccccc1[N@H+](CC[C@H](C)O)C(C)C ZINC000450557002 202197008 /nfs/dbraw/zinc/19/70/08/202197008.db2.gz NGWSCHPLXSKUTD-ZDUSSCGKSA-N 1 2 221.344 2.981 20 0 BFADLO Cc1ccccc1[N@@H+](CC[C@H](C)O)C(C)C ZINC000450557002 202197012 /nfs/dbraw/zinc/19/70/12/202197012.db2.gz NGWSCHPLXSKUTD-ZDUSSCGKSA-N 1 2 221.344 2.981 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000361135106 356918003 /nfs/dbraw/zinc/91/80/03/356918003.db2.gz KFFIUWIFQOPTPD-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nc(C[N@H+](C)[C@H]2CCC(C)(C)C2)no1 ZINC000361469417 356930312 /nfs/dbraw/zinc/93/03/12/356930312.db2.gz MJUCFYNFQQAFQG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)no1 ZINC000361469417 356930316 /nfs/dbraw/zinc/93/03/16/356930316.db2.gz MJUCFYNFQQAFQG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000156066760 538765588 /nfs/dbraw/zinc/76/55/88/538765588.db2.gz XXCWFIAQDCIQCC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C)cn1 ZINC000156066760 538765593 /nfs/dbraw/zinc/76/55/93/538765593.db2.gz XXCWFIAQDCIQCC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO c1cc(C[NH2+][C@@H]2CSc3ccccc32)no1 ZINC000156608994 538791678 /nfs/dbraw/zinc/79/16/78/538791678.db2.gz GRKGSOVPZUZUIH-LLVKDONJSA-N 1 2 232.308 2.611 20 0 BFADLO Cc1nnc(C[NH2+][C@@H]2CCCc3occc32)s1 ZINC000391776586 357134779 /nfs/dbraw/zinc/13/47/79/357134779.db2.gz CLQGRUVWHDSBSC-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO c1cc(N2[C@H]3C=CC[C@@H]2CC3)nc(C2CC2)[nH+]1 ZINC000585378962 538801201 /nfs/dbraw/zinc/80/12/01/538801201.db2.gz BZMJUAHYIVYZAD-NWDGAFQWSA-N 1 2 227.311 2.651 20 0 BFADLO CC(=O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000639890623 357207913 /nfs/dbraw/zinc/20/79/13/357207913.db2.gz SUBUEIARGVTIMY-UHFFFAOYSA-N 1 2 248.351 2.710 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC2(CCC2)C[C@H]1C ZINC000583704208 357283445 /nfs/dbraw/zinc/28/34/45/357283445.db2.gz YYPQTMXPSNKVCW-LLVKDONJSA-N 1 2 231.343 2.862 20 0 BFADLO CC(F)(F)C[NH2+]Cc1scnc1C1CC1 ZINC000393511037 357286296 /nfs/dbraw/zinc/28/62/96/357286296.db2.gz JGTDXHIFULZNBZ-UHFFFAOYSA-N 1 2 232.299 2.765 20 0 BFADLO Cc1cc2[nH+]cn(Cc3csnn3)c2cc1C ZINC000393849362 357303050 /nfs/dbraw/zinc/30/30/50/357303050.db2.gz PMCWGZPWWNXWMQ-UHFFFAOYSA-N 1 2 244.323 2.553 20 0 BFADLO C(=C\c1ccccc1)\C[NH+]1CC2(C1)CCCO2 ZINC000628426882 357257544 /nfs/dbraw/zinc/25/75/44/357257544.db2.gz RUXQHFNSSHAMMV-YWEYNIOJSA-N 1 2 229.323 2.565 20 0 BFADLO Clc1ccccc1C[NH+]1CC2(C1)CCCO2 ZINC000628426935 357257800 /nfs/dbraw/zinc/25/78/00/357257800.db2.gz WBGISPREDYYRFO-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Cc1cc(NC(=O)N2[C@H](C)CCC2(C)C)cc[nH+]1 ZINC000639899526 357277490 /nfs/dbraw/zinc/27/74/90/357277490.db2.gz BCFTWVRTFBVSLJ-LLVKDONJSA-N 1 2 247.342 2.607 20 0 BFADLO COc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000582886072 357430120 /nfs/dbraw/zinc/43/01/20/357430120.db2.gz KVYGZCLPSHNFCU-UHFFFAOYSA-N 1 2 245.244 2.689 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H]1c1ccco1 ZINC000583153886 357496346 /nfs/dbraw/zinc/49/63/46/357496346.db2.gz URWPZUZWSFKWDL-GHMZBOCLSA-N 1 2 229.283 2.654 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000582971154 357447758 /nfs/dbraw/zinc/44/77/58/357447758.db2.gz UGHBKMKGJWALCF-ONGXEEELSA-N 1 2 249.358 2.506 20 0 BFADLO CCCc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000054982804 363583128 /nfs/dbraw/zinc/58/31/28/363583128.db2.gz DUUXPKYETNYPDN-GHMZBOCLSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1noc([C@@H](C)[N@H+](CC)Cc2ccoc2)n1 ZINC000102517823 357477323 /nfs/dbraw/zinc/47/73/23/357477323.db2.gz NTJSVOPGPHVYQX-SNVBAGLBSA-N 1 2 249.314 2.808 20 0 BFADLO CCc1noc([C@@H](C)[N@@H+](CC)Cc2ccoc2)n1 ZINC000102517823 357477326 /nfs/dbraw/zinc/47/73/26/357477326.db2.gz NTJSVOPGPHVYQX-SNVBAGLBSA-N 1 2 249.314 2.808 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)c1ccccn1 ZINC000085711783 357560417 /nfs/dbraw/zinc/56/04/17/357560417.db2.gz BTKKHGUUBMZLBY-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000063302066 357620811 /nfs/dbraw/zinc/62/08/11/357620811.db2.gz NJDDVFGOEKNKCI-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000063302066 357620813 /nfs/dbraw/zinc/62/08/13/357620813.db2.gz NJDDVFGOEKNKCI-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO CCOCCNc1[nH+]ccc2c(OC)cccc21 ZINC000233741335 357741935 /nfs/dbraw/zinc/74/19/35/357741935.db2.gz RNOSWJMLRYCHIV-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO Cn1c[nH+]cc1CN1CC(C)(C)[C@H]1c1ccco1 ZINC000639925694 357829694 /nfs/dbraw/zinc/82/96/94/357829694.db2.gz CKXFVDJCWFINLD-CYBMUJFWSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1cc[nH+]c1CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639926161 357837549 /nfs/dbraw/zinc/83/75/49/357837549.db2.gz JKVXMMPOZHGIJS-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO CC1=CCC[C@@H](C)[C@H]1C[N@H+](CCO)CC(F)F ZINC000193023661 357864897 /nfs/dbraw/zinc/86/48/97/357864897.db2.gz QNTNBGSKRYNDDJ-NEPJUHHUSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CCO)CC(F)F ZINC000193023661 357864900 /nfs/dbraw/zinc/86/49/00/357864900.db2.gz QNTNBGSKRYNDDJ-NEPJUHHUSA-N 1 2 247.329 2.538 20 0 BFADLO CC[C@@H]1CCC[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000193023555 357865072 /nfs/dbraw/zinc/86/50/72/357865072.db2.gz MOPBHRGWFLSYCV-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@@H]1CCC[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000193023555 357865075 /nfs/dbraw/zinc/86/50/75/357865075.db2.gz MOPBHRGWFLSYCV-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]1CCC[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000193023542 357865284 /nfs/dbraw/zinc/86/52/84/357865284.db2.gz MOPBHRGWFLSYCV-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]1CCC[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000193023542 357865289 /nfs/dbraw/zinc/86/52/89/357865289.db2.gz MOPBHRGWFLSYCV-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO CC(C)[C@@H]1CC[N@H+](Cc2nnsc2Cl)C1 ZINC000133160022 325273998 /nfs/dbraw/zinc/27/39/98/325273998.db2.gz HEKADLFOALEZBB-MRVPVSSYSA-N 1 2 245.779 2.669 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+](Cc2nnsc2Cl)C1 ZINC000133160022 325274001 /nfs/dbraw/zinc/27/40/01/325274001.db2.gz HEKADLFOALEZBB-MRVPVSSYSA-N 1 2 245.779 2.669 20 0 BFADLO CCc1cc(NCc2ccc(F)cc2F)nc[nH+]1 ZINC000051017566 357948536 /nfs/dbraw/zinc/94/85/36/357948536.db2.gz UVXFWGCEIUJHPT-UHFFFAOYSA-N 1 2 249.264 2.929 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000639970350 358023146 /nfs/dbraw/zinc/02/31/46/358023146.db2.gz DVBAOVZAHSFGCB-HUUCEWRRSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000639970350 358023149 /nfs/dbraw/zinc/02/31/49/358023149.db2.gz DVBAOVZAHSFGCB-HUUCEWRRSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC(CCF)CC2)no1 ZINC000639989257 358027809 /nfs/dbraw/zinc/02/78/09/358027809.db2.gz AJWBCAHLZGHZJY-VIFPVBQESA-N 1 2 241.310 2.511 20 0 BFADLO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000037103515 358065458 /nfs/dbraw/zinc/06/54/58/358065458.db2.gz FLPLRJJHYLPMPR-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO CCc1noc([C@H](C)[NH+]2CCC(C)(F)CC2)n1 ZINC000640070636 358157064 /nfs/dbraw/zinc/15/70/64/358157064.db2.gz LRJSQECUBUVNGR-VIFPVBQESA-N 1 2 241.310 2.517 20 0 BFADLO Clc1cnc(C[NH+]2C3CCC2CC3)s1 ZINC000547449335 325356357 /nfs/dbraw/zinc/35/63/57/325356357.db2.gz IPIKJTSCQSATGF-UHFFFAOYSA-N 1 2 228.748 2.923 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCC[C@H]1CC)c1[nH]cc[nH+]1 ZINC000450672766 202233128 /nfs/dbraw/zinc/23/31/28/202233128.db2.gz LOGNCROCQPELMX-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)no1 ZINC000090404686 491126027 /nfs/dbraw/zinc/12/60/27/491126027.db2.gz ZSXHEBDWNWLAOV-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)s1 ZINC000041062422 358241875 /nfs/dbraw/zinc/24/18/75/358241875.db2.gz FHBSEMDZEZCWMI-SECBINFHSA-N 1 2 235.356 2.884 20 0 BFADLO CC(C)[C@@H]1C[C@H](CNc2cccc[nH+]2)CCO1 ZINC000450734041 202249233 /nfs/dbraw/zinc/24/92/33/202249233.db2.gz BAWXUZLOANKFPE-OLZOCXBDSA-N 1 2 234.343 2.945 20 0 BFADLO CC[C@@H](C)[C@@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450725042 202246873 /nfs/dbraw/zinc/24/68/73/202246873.db2.gz PQMWGOYMNWFBLY-DGCLKSJQSA-N 1 2 239.359 2.664 20 0 BFADLO CS[C@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351241136 366457479 /nfs/dbraw/zinc/45/74/79/366457479.db2.gz YJLSJABGIODFNW-SECBINFHSA-N 1 2 249.339 2.788 20 0 BFADLO CCOc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000044412118 358549029 /nfs/dbraw/zinc/54/90/29/358549029.db2.gz MJBMXZYSDSLBIF-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(Cl)c(F)c1 ZINC000133229931 358748940 /nfs/dbraw/zinc/74/89/40/358748940.db2.gz VXFLJMZHSBRKGU-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000051921914 358767203 /nfs/dbraw/zinc/76/72/03/358767203.db2.gz PTWFMVRDYIJQKS-NSHDSACASA-N 1 2 233.315 2.655 20 0 BFADLO CCn1ccnc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000051921915 358767500 /nfs/dbraw/zinc/76/75/00/358767500.db2.gz PTWFMVRDYIJQKS-LLVKDONJSA-N 1 2 233.315 2.655 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000134979250 358813404 /nfs/dbraw/zinc/81/34/04/358813404.db2.gz PAKMUVORUCFNHD-WCQYABFASA-N 1 2 235.327 2.597 20 0 BFADLO Cc1nc(C[N@H+](CC2CCCCC2)C2CC2)no1 ZINC000052245089 358777035 /nfs/dbraw/zinc/77/70/35/358777035.db2.gz SYCVVRSQDPKNNH-UHFFFAOYSA-N 1 2 249.358 2.923 20 0 BFADLO Cc1nc(C[N@@H+](CC2CCCCC2)C2CC2)no1 ZINC000052245089 358777036 /nfs/dbraw/zinc/77/70/36/358777036.db2.gz SYCVVRSQDPKNNH-UHFFFAOYSA-N 1 2 249.358 2.923 20 0 BFADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCOC1 ZINC000134314902 358786327 /nfs/dbraw/zinc/78/63/27/358786327.db2.gz WZHXZXFJRLZOAV-YPMHNXCESA-N 1 2 220.316 2.617 20 0 BFADLO COc1ccccc1SCc1cc[nH+]c(N)c1 ZINC000052756558 358791628 /nfs/dbraw/zinc/79/16/28/358791628.db2.gz QGWZOZFTIXKWND-UHFFFAOYSA-N 1 2 246.335 2.965 20 0 BFADLO CC(C)c1nc(C[N@H+]([C@H](C)C2CC2)C2CC2)no1 ZINC000053608049 358836449 /nfs/dbraw/zinc/83/64/49/358836449.db2.gz MLQLFNAIIFLORL-SNVBAGLBSA-N 1 2 249.358 2.956 20 0 BFADLO CC(C)c1nc(C[N@@H+]([C@H](C)C2CC2)C2CC2)no1 ZINC000053608049 358836452 /nfs/dbraw/zinc/83/64/52/358836452.db2.gz MLQLFNAIIFLORL-SNVBAGLBSA-N 1 2 249.358 2.956 20 0 BFADLO Cc1nc(NCCc2ccccc2F)cc[nH+]1 ZINC000054935687 358878830 /nfs/dbraw/zinc/87/88/30/358878830.db2.gz NLZOOFSWZKKXBU-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1nc(NCc2ccc(F)cc2F)cc[nH+]1 ZINC000054936488 358879173 /nfs/dbraw/zinc/87/91/73/358879173.db2.gz DDKVOLNTHWBENW-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000054936358 358879347 /nfs/dbraw/zinc/87/93/47/358879347.db2.gz KFGIFRUJUCUMKJ-QWHCGFSZSA-N 1 2 225.295 2.753 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000220088006 134299091 /nfs/dbraw/zinc/29/90/91/134299091.db2.gz NLAGIRUDBQNTFU-RYUDHWBXSA-N 1 2 249.358 2.888 20 0 BFADLO C[C@@H](NC(=O)C[C@@H]1CCC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000578347340 366530312 /nfs/dbraw/zinc/53/03/12/366530312.db2.gz ZWEIGJOBDVRYIK-QJPTWQEYSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@@H](Cc1nc([C@@H](C)C2CC2)no1)n1cc[nH+]c1 ZINC000351419623 366524554 /nfs/dbraw/zinc/52/45/54/366524554.db2.gz DMGKKFKNXPBBQB-UWVGGRQHSA-N 1 2 246.314 2.583 20 0 BFADLO COC1(CC[N@@H+]2OC3CCC2CC3)CCC1 ZINC000640230053 358942397 /nfs/dbraw/zinc/94/23/97/358942397.db2.gz JLYUBIBAARUOEX-UHFFFAOYSA-N 1 2 225.332 2.504 20 0 BFADLO COC1(CC[N@H+]2OC3CCC2CC3)CCC1 ZINC000640230053 358942399 /nfs/dbraw/zinc/94/23/99/358942399.db2.gz JLYUBIBAARUOEX-UHFFFAOYSA-N 1 2 225.332 2.504 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C3CCC3)cc2[nH+]1 ZINC000074819699 359130842 /nfs/dbraw/zinc/13/08/42/359130842.db2.gz NFSNMRFZCQYSPZ-UHFFFAOYSA-N 1 2 229.283 2.610 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1ccccc1C1CC1 ZINC000611253970 359274880 /nfs/dbraw/zinc/27/48/80/359274880.db2.gz QNYGBBNOTRBUOV-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1ccccc1C1CC1 ZINC000611253970 359274882 /nfs/dbraw/zinc/27/48/82/359274882.db2.gz QNYGBBNOTRBUOV-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CCCCSc1nc(N)cc(CC)[nH+]1 ZINC000279134954 359525660 /nfs/dbraw/zinc/52/56/60/359525660.db2.gz XDDGKKCHJNVOOU-UHFFFAOYSA-N 1 2 211.334 2.513 20 0 BFADLO COC[C@@H](C)SCCc1cccc(C)[nH+]1 ZINC000580445912 359562100 /nfs/dbraw/zinc/56/21/00/359562100.db2.gz MGMDHXZMQYJPQG-LLVKDONJSA-N 1 2 225.357 2.701 20 0 BFADLO COc1ccc(N[C@@H]2CCC2(C)C)[nH+]c1 ZINC000309036209 491142995 /nfs/dbraw/zinc/14/29/95/491142995.db2.gz GDKLDVFKYQKUQC-SNVBAGLBSA-N 1 2 206.289 2.691 20 0 BFADLO COc1cc[nH+]cc1CSC1CCC1 ZINC000450986755 202326765 /nfs/dbraw/zinc/32/67/65/202326765.db2.gz QWSGRPGAKCSWNT-UHFFFAOYSA-N 1 2 209.314 2.876 20 0 BFADLO Cc1nnc(Nc2ccc3c(c2)CCC[NH2+]3)s1 ZINC000087457886 359912935 /nfs/dbraw/zinc/91/29/35/359912935.db2.gz DGQKTTNNMSLHLT-UHFFFAOYSA-N 1 2 246.339 2.948 20 0 BFADLO C[C@H](O)CCC[N@@H+]1CCCCc2ccccc21 ZINC000088334702 359946775 /nfs/dbraw/zinc/94/67/75/359946775.db2.gz KDAOSEFJCYBRLQ-ZDUSSCGKSA-N 1 2 233.355 2.990 20 0 BFADLO C[C@H](O)CCC[N@H+]1CCCCc2ccccc21 ZINC000088334702 359946782 /nfs/dbraw/zinc/94/67/82/359946782.db2.gz KDAOSEFJCYBRLQ-ZDUSSCGKSA-N 1 2 233.355 2.990 20 0 BFADLO Cc1ncsc1C[NH2+][C@@H]1CCCC1(F)F ZINC000309164117 491146064 /nfs/dbraw/zinc/14/60/64/491146064.db2.gz IELVDJGKLJLKSP-SECBINFHSA-N 1 2 232.299 2.729 20 0 BFADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cncs2)[nH]1 ZINC000092728673 360192464 /nfs/dbraw/zinc/19/24/64/360192464.db2.gz IBZUXUMZWKAFHD-NSHDSACASA-N 1 2 248.355 2.593 20 0 BFADLO Cc1csc([C@@H](C)N[C@@H](C)c2[nH]cc[nH+]2)n1 ZINC000309393035 491147902 /nfs/dbraw/zinc/14/79/02/491147902.db2.gz GEPZPJHJZHGLJH-DTWKUNHWSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)n1 ZINC000309393035 491147903 /nfs/dbraw/zinc/14/79/03/491147903.db2.gz GEPZPJHJZHGLJH-DTWKUNHWSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)cc1F ZINC000093418677 360240711 /nfs/dbraw/zinc/24/07/11/360240711.db2.gz NZDZFORJMBQJAD-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)cc1F ZINC000093418677 360240718 /nfs/dbraw/zinc/24/07/18/360240718.db2.gz NZDZFORJMBQJAD-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO CCc1cc(NCc2ccccc2)nc[nH+]1 ZINC000040765016 360301740 /nfs/dbraw/zinc/30/17/40/360301740.db2.gz SSPSRSGQBACLCV-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)o1 ZINC000093841337 360283151 /nfs/dbraw/zinc/28/31/51/360283151.db2.gz UBSDXUZUTDHUJY-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)o1 ZINC000093841337 360283156 /nfs/dbraw/zinc/28/31/56/360283156.db2.gz UBSDXUZUTDHUJY-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1ccc(Br)o1 ZINC000306515522 360342249 /nfs/dbraw/zinc/34/22/49/360342249.db2.gz DMRGQPNJUARLPK-ZETCQYMHSA-N 1 2 230.105 2.636 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1ccc(Br)o1 ZINC000306515522 360342251 /nfs/dbraw/zinc/34/22/51/360342251.db2.gz DMRGQPNJUARLPK-ZETCQYMHSA-N 1 2 230.105 2.636 20 0 BFADLO NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000114314090 181301015 /nfs/dbraw/zinc/30/10/15/181301015.db2.gz VWKAGPMDSYVCIU-UHFFFAOYSA-N 1 2 248.669 2.626 20 0 BFADLO COC(=O)[C@H]([NH2+]CCCC(C)C)c1ccccc1 ZINC000096687108 360352839 /nfs/dbraw/zinc/35/28/39/360352839.db2.gz UYPRQSCJAQKDJE-CQSZACIVSA-N 1 2 249.354 2.927 20 0 BFADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079053 360360622 /nfs/dbraw/zinc/36/06/22/360360622.db2.gz LDMJRIIHKSPQPT-JQWIXIFHSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079053 360360629 /nfs/dbraw/zinc/36/06/29/360360629.db2.gz LDMJRIIHKSPQPT-JQWIXIFHSA-N 1 2 249.358 2.958 20 0 BFADLO COc1ccc(NCc2occc2C)[nH+]c1 ZINC000309472213 491149344 /nfs/dbraw/zinc/14/93/44/491149344.db2.gz UMQVFRRAXRNIDJ-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000631195389 360638582 /nfs/dbraw/zinc/63/85/82/360638582.db2.gz WQNDAYCYJXFDRU-AWEZNQCLSA-N 1 2 247.317 2.964 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCC1 ZINC000153168851 360763567 /nfs/dbraw/zinc/76/35/67/360763567.db2.gz QDXABJVWMKDGPP-SECBINFHSA-N 1 2 217.316 2.955 20 0 BFADLO Cc1cc(N)nc(S[C@H]2CCCC[C@@H]2C)[nH+]1 ZINC000629103338 360878808 /nfs/dbraw/zinc/87/88/08/360878808.db2.gz DOGCRIUSNSWAJC-WPRPVWTQSA-N 1 2 237.372 2.868 20 0 BFADLO CCC1C[NH+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000453608128 200794331 /nfs/dbraw/zinc/79/43/31/200794331.db2.gz TYTAWHRXUCUKEG-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO Cc1ccncc1CNc1cc[nH+]cc1F ZINC000309708300 491155435 /nfs/dbraw/zinc/15/54/35/491155435.db2.gz PPRUWVGACCESHZ-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1nc(C)c(CNc2cc[nH+]cc2F)s1 ZINC000309725173 491155115 /nfs/dbraw/zinc/15/51/15/491155115.db2.gz XOVQLCAUIJVIBM-UHFFFAOYSA-N 1 2 237.303 2.906 20 0 BFADLO CC[C@](C)([NH2+]Cc1cc(C)cc(C)c1)C(=O)OC ZINC000428290282 201006168 /nfs/dbraw/zinc/00/61/68/201006168.db2.gz WTDCRLWWTTTZMK-HNNXBMFYSA-N 1 2 249.354 2.735 20 0 BFADLO C[C@@H](Nc1ccc(F)c(F)c1)c1[nH]cc[nH+]1 ZINC000309745102 491155895 /nfs/dbraw/zinc/15/58/95/491155895.db2.gz FJHSSGKAUIAWDJ-SSDOTTSWSA-N 1 2 223.226 2.861 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@@H](F)C1 ZINC000579127697 366719271 /nfs/dbraw/zinc/71/92/71/366719271.db2.gz JCJVJZRQSUFTCZ-GHMZBOCLSA-N 1 2 223.295 2.786 20 0 BFADLO CCc1nc(C)c(C[N@H+](C)Cc2ccco2)o1 ZINC000428490575 201024304 /nfs/dbraw/zinc/02/43/04/201024304.db2.gz ZLEYLHWLURCSIP-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccco2)o1 ZINC000428490575 201024306 /nfs/dbraw/zinc/02/43/06/201024306.db2.gz ZLEYLHWLURCSIP-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO C[C@@H]1CC[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000428660731 201032624 /nfs/dbraw/zinc/03/26/24/201032624.db2.gz OBQUFGTULQUHGZ-ZYHUDNBSSA-N 1 2 231.343 2.979 20 0 BFADLO CCC(C)(C)CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000428679843 201036585 /nfs/dbraw/zinc/03/65/85/201036585.db2.gz AJHCWJISJWBLPX-UHFFFAOYSA-N 1 2 232.331 2.536 20 0 BFADLO C[C@H]1CC[C@@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562318 201114780 /nfs/dbraw/zinc/11/47/80/201114780.db2.gz VQQGIKKMMSJWKV-GXSJLCMTSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CC[C@@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562318 201114783 /nfs/dbraw/zinc/11/47/83/201114783.db2.gz VQQGIKKMMSJWKV-GXSJLCMTSA-N 1 2 235.331 2.567 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000433414102 201185218 /nfs/dbraw/zinc/18/52/18/201185218.db2.gz YJRUIRPZTDRPEV-QWRGUYRKSA-N 1 2 229.327 2.898 20 0 BFADLO CCc1cc(N[C@H]2CCCC2(F)F)nc[nH+]1 ZINC000309957142 491158880 /nfs/dbraw/zinc/15/88/80/491158880.db2.gz IYJWSBQICSBWCO-VIFPVBQESA-N 1 2 227.258 2.639 20 0 BFADLO CC(C)(C)CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000433616384 201189533 /nfs/dbraw/zinc/18/95/33/201189533.db2.gz KOKRWDBGKSRHQT-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CC(C)(C)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000433616384 201189537 /nfs/dbraw/zinc/18/95/37/201189537.db2.gz KOKRWDBGKSRHQT-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433785402 201193130 /nfs/dbraw/zinc/19/31/30/201193130.db2.gz INIHGLPRWUVZMC-BDAKNGLRSA-N 1 2 232.331 2.535 20 0 BFADLO C/C=C\C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OCC ZINC000434987841 201246722 /nfs/dbraw/zinc/24/67/22/201246722.db2.gz PGMSNHUDSIIMFB-HWPRWLFBSA-N 1 2 239.359 2.663 20 0 BFADLO COCCN(C)c1ccc(-c2ccccc2)c[nH+]1 ZINC000629691495 361618351 /nfs/dbraw/zinc/61/83/51/361618351.db2.gz XDNDKQGXSFXSSG-UHFFFAOYSA-N 1 2 242.322 2.831 20 0 BFADLO CC1=CCCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000435599037 201277431 /nfs/dbraw/zinc/27/74/31/201277431.db2.gz UTFMETHTFKGDKU-UHFFFAOYSA-N 1 2 243.354 2.820 20 0 BFADLO CCNc1ccc(-c2csc(COC)c2)c[nH+]1 ZINC000629748530 361681768 /nfs/dbraw/zinc/68/17/68/361681768.db2.gz MTZXNZLODOEABP-UHFFFAOYSA-N 1 2 248.351 2.810 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000437851425 201375802 /nfs/dbraw/zinc/37/58/02/201375802.db2.gz KRFPVXYKWLGYSA-JOCQHMNTSA-N 1 2 246.354 2.967 20 0 BFADLO CCOC(=O)[C@H](CC(C)C)[NH2+]CC=C(C)C ZINC000190721161 219917413 /nfs/dbraw/zinc/91/74/13/219917413.db2.gz FQVZYNPSBRLJNK-LBPRGKRZSA-N 1 2 227.348 2.520 20 0 BFADLO CC1=CC[C@@](C)(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000615158130 364550297 /nfs/dbraw/zinc/55/02/97/364550297.db2.gz JUZBISZCZOIUKZ-BXUZGUMPSA-N 1 2 247.342 2.723 20 0 BFADLO CCCC[C@@H](COC)Nc1cccc[nH+]1 ZINC000265472305 364723996 /nfs/dbraw/zinc/72/39/96/364723996.db2.gz DEZJLOONHZGPLH-NSHDSACASA-N 1 2 208.305 2.699 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000573615888 364874878 /nfs/dbraw/zinc/87/48/78/364874878.db2.gz DHAXTYIGTAHHMU-QMTHXVAHSA-N 1 2 249.358 2.506 20 0 BFADLO CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC000574210322 365010357 /nfs/dbraw/zinc/01/03/57/365010357.db2.gz IEMYYZDTOHZPSJ-GFCCVEGCSA-N 1 2 249.358 2.673 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)c1ccccn1 ZINC000169142219 365080928 /nfs/dbraw/zinc/08/09/28/365080928.db2.gz PVEOIPQSOACDEI-SNVBAGLBSA-N 1 2 229.283 2.658 20 0 BFADLO C[C@@H]1CC[N@H+](CC2(C)CC2)CC1(F)F ZINC000574861479 365160699 /nfs/dbraw/zinc/16/06/99/365160699.db2.gz XOQLHILAWSFLES-SECBINFHSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@@H]1CC[N@@H+](CC2(C)CC2)CC1(F)F ZINC000574861479 365160706 /nfs/dbraw/zinc/16/07/06/365160706.db2.gz XOQLHILAWSFLES-SECBINFHSA-N 1 2 203.276 2.764 20 0 BFADLO Cc1cc(C)cc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000575146724 365222415 /nfs/dbraw/zinc/22/24/15/365222415.db2.gz AMVDTDVKGOSCLR-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO CC(C)C1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000444074381 193034273 /nfs/dbraw/zinc/03/42/73/193034273.db2.gz HZBTZMCMTFMJNR-UHFFFAOYSA-N 1 2 241.338 2.900 20 0 BFADLO CC(C)[C@@H](C)CNc1cc[nH+]c2ccncc12 ZINC000444081216 193034286 /nfs/dbraw/zinc/03/42/86/193034286.db2.gz CFWATBWNJPZZNR-NSHDSACASA-N 1 2 229.327 2.756 20 0 BFADLO C[C@@H]1CCCN1c1[nH+]c2cccc(F)c2n1C ZINC000443511646 193023713 /nfs/dbraw/zinc/02/37/13/193023713.db2.gz QQVHHAGZZSTMAD-SECBINFHSA-N 1 2 233.290 2.701 20 0 BFADLO c1cc(NCCOC2CCCC2)nc(C2CC2)[nH+]1 ZINC000171870551 365249125 /nfs/dbraw/zinc/24/91/25/365249125.db2.gz FYCNOSORUVHIGS-UHFFFAOYSA-N 1 2 247.342 2.725 20 0 BFADLO CC[N@H+](Cc1ccno1)Cc1occc1C ZINC000580526379 365313519 /nfs/dbraw/zinc/31/35/19/365313519.db2.gz WSZAKQXIMPPASP-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccno1)Cc1occc1C ZINC000580526379 365313526 /nfs/dbraw/zinc/31/35/26/365313526.db2.gz WSZAKQXIMPPASP-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO Cn1ncc2c1nc[nH+]c2NCCCC(C)(C)C ZINC000172615450 365350777 /nfs/dbraw/zinc/35/07/77/365350777.db2.gz UJWNGCGXJPRFDI-UHFFFAOYSA-N 1 2 247.346 2.602 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000172860719 365384091 /nfs/dbraw/zinc/38/40/91/365384091.db2.gz LNDOHDYTWFFICS-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000172860719 365384097 /nfs/dbraw/zinc/38/40/97/365384097.db2.gz LNDOHDYTWFFICS-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)c2cccnc2)cc[nH+]1 ZINC000174810122 365515495 /nfs/dbraw/zinc/51/54/95/365515495.db2.gz RGJNJFGFPISSGC-LLVKDONJSA-N 1 2 241.294 2.527 20 0 BFADLO CC(=O)Nc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000353622892 541484194 /nfs/dbraw/zinc/48/41/94/541484194.db2.gz PEZCEJJGKUFWST-SECBINFHSA-N 1 2 244.298 2.541 20 0 BFADLO CCC1(CNc2[nH+]c(C)nc3[nH]ccc32)CCC1 ZINC000439603046 201456062 /nfs/dbraw/zinc/45/60/62/201456062.db2.gz ULTHISLKXFPDRI-UHFFFAOYSA-N 1 2 244.342 2.680 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1C)C(=O)OC ZINC000183727176 367044254 /nfs/dbraw/zinc/04/42/54/367044254.db2.gz RCQYRAMERRPZTD-GXTWGEPZSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1cnc([C@H]([NH2+]Cc2ccon2)C2CC2)s1 ZINC000185304704 367127846 /nfs/dbraw/zinc/12/78/46/367127846.db2.gz DEDUKMJHSTYYMF-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO Cc1ccc(COc2cccnc2C)c(C)[nH+]1 ZINC000185389293 367130688 /nfs/dbraw/zinc/13/06/88/367130688.db2.gz GLIOMTNWYUPOEF-UHFFFAOYSA-N 1 2 228.295 2.981 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N(C)CC1CC1 ZINC000580981660 367223670 /nfs/dbraw/zinc/22/36/70/367223670.db2.gz CKMACCBYUVXHAJ-UHFFFAOYSA-N 1 2 247.342 2.517 20 0 BFADLO CCc1cc(NC[C@@H](C)C(C)C)nc[nH+]1 ZINC000081070350 370848672 /nfs/dbraw/zinc/84/86/72/370848672.db2.gz WIQXCYAVDWZDAW-SNVBAGLBSA-N 1 2 207.321 2.743 20 0 BFADLO CCc1cc(NC[C@H](C)C(C)C)nc[nH+]1 ZINC000081080009 370848816 /nfs/dbraw/zinc/84/88/16/370848816.db2.gz WIQXCYAVDWZDAW-JTQLQIEISA-N 1 2 207.321 2.743 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](CC2CC2)C1 ZINC000581143158 367277614 /nfs/dbraw/zinc/27/76/14/367277614.db2.gz TZCMYXZKBBNVMI-CYBMUJFWSA-N 1 2 231.343 2.720 20 0 BFADLO C[C@@H]1CC[C@H](CC(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581434537 367469659 /nfs/dbraw/zinc/46/96/59/367469659.db2.gz CVQMIXXZCRIXDR-MNOVXSKESA-N 1 2 249.358 2.587 20 0 BFADLO Cc1c[nH+]c(C)nc1NC(C1CC1)C1CC1 ZINC000581439075 367473452 /nfs/dbraw/zinc/47/34/52/367473452.db2.gz IVQCMBWPZYPLSN-UHFFFAOYSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1ccc(F)c(C[NH2+]CC(C)(F)F)c1 ZINC000382044928 367481664 /nfs/dbraw/zinc/48/16/64/367481664.db2.gz YYQDPOLDRMVGEA-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO COc1ccc(C[NH2+]CC(C)(F)F)cc1F ZINC000382262651 367502464 /nfs/dbraw/zinc/50/24/64/367502464.db2.gz XLZBOJPUBSKPDO-UHFFFAOYSA-N 1 2 233.233 2.579 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(C)c1 ZINC000383567093 367641127 /nfs/dbraw/zinc/64/11/27/367641127.db2.gz BHRZLKGASSJHRT-CQSZACIVSA-N 1 2 229.327 2.959 20 0 BFADLO CCc1cccc(C[NH2+]C(CF)CF)c1 ZINC000581612497 367634851 /nfs/dbraw/zinc/63/48/51/367634851.db2.gz SWUZNQBKOYPMOT-UHFFFAOYSA-N 1 2 213.271 2.646 20 0 BFADLO C[C@@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000384454411 367693102 /nfs/dbraw/zinc/69/31/02/367693102.db2.gz ASGMSNSHAGUELX-VIFPVBQESA-N 1 2 247.346 2.600 20 0 BFADLO CCc1ccc(CNc2c[nH+]cc(N(C)C)c2)o1 ZINC000630955770 368149399 /nfs/dbraw/zinc/14/93/99/368149399.db2.gz FQKLFXLTMJIBJE-UHFFFAOYSA-N 1 2 245.326 2.915 20 0 BFADLO COC1(CNc2c[nH+]cc(N(C)C)c2)CCCC1 ZINC000630956391 368149844 /nfs/dbraw/zinc/14/98/44/368149844.db2.gz QGAPHCOVNCCXPJ-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2ccc(F)cc21 ZINC000076293056 368232756 /nfs/dbraw/zinc/23/27/56/368232756.db2.gz UAFUQUJSMFQKBQ-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO CCn1cc[nH+]c1CN(C)c1ccccc1 ZINC000060339993 368539714 /nfs/dbraw/zinc/53/97/14/368539714.db2.gz VQPCJNHOGOAZLZ-UHFFFAOYSA-N 1 2 215.300 2.539 20 0 BFADLO C[NH+](C)c1ccc(NCc2cccnc2)cc1 ZINC000000575209 368570027 /nfs/dbraw/zinc/57/00/27/368570027.db2.gz GKHBXDWBZRZMRZ-UHFFFAOYSA-N 1 2 227.311 2.760 20 0 BFADLO CC(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456443174 202944572 /nfs/dbraw/zinc/94/45/72/202944572.db2.gz ZZVGXCIDDJLGIQ-SDDRHHMPSA-N 1 2 249.358 2.687 20 0 BFADLO CCCOc1ncccc1CNc1cccc[nH+]1 ZINC000063859611 368598320 /nfs/dbraw/zinc/59/83/20/368598320.db2.gz INRPKZSEJJLMMF-UHFFFAOYSA-N 1 2 243.310 2.878 20 0 BFADLO CN(CCc1ccc(F)cc1)c1cccc[nH+]1 ZINC000065586483 368625343 /nfs/dbraw/zinc/62/53/43/368625343.db2.gz XWACDIASBOXPOT-UHFFFAOYSA-N 1 2 230.286 2.900 20 0 BFADLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000154018329 326125517 /nfs/dbraw/zinc/12/55/17/326125517.db2.gz NTDWEYVDPYGOFD-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO Cc1ccccc1OCCN(C)c1cccc[nH+]1 ZINC000070793555 368765342 /nfs/dbraw/zinc/76/53/42/368765342.db2.gz PERSHIOUVVXDFA-UHFFFAOYSA-N 1 2 242.322 2.905 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)n1 ZINC000074072310 368829471 /nfs/dbraw/zinc/82/94/71/368829471.db2.gz IRCIRWYPBMRJJE-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO CC(C)CCCCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000457552179 203073277 /nfs/dbraw/zinc/07/32/77/203073277.db2.gz PHSFXICEFLTJJU-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1CC(C(C)(C)C)C1 ZINC000457547133 203074159 /nfs/dbraw/zinc/07/41/59/203074159.db2.gz HOMARBPLQRCXQA-UHFFFAOYSA-N 1 2 246.354 2.823 20 0 BFADLO Cc1ccc(NCc2cnc(C3CC3)nc2)c[nH+]1 ZINC000459434720 203279721 /nfs/dbraw/zinc/27/97/21/203279721.db2.gz NZWIQFSPLWRCLF-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000201639846 369396060 /nfs/dbraw/zinc/39/60/60/369396060.db2.gz RTQYYFFZGDGQIO-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000201639846 369396064 /nfs/dbraw/zinc/39/60/64/369396064.db2.gz RTQYYFFZGDGQIO-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CCOC1(C)C[NH+](Cc2cc(C)ccc2F)C1 ZINC000459620644 203318672 /nfs/dbraw/zinc/31/86/72/203318672.db2.gz MFTVOKXLIRXCSH-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1noc2c1CCCC2 ZINC000108850702 369411216 /nfs/dbraw/zinc/41/12/16/369411216.db2.gz YNOLZYBMFDMYGP-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1noc2c1CCCC2 ZINC000108850702 369411220 /nfs/dbraw/zinc/41/12/20/369411220.db2.gz YNOLZYBMFDMYGP-UHFFFAOYSA-N 1 2 246.310 2.778 20 0 BFADLO CCCC[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459624894 203321706 /nfs/dbraw/zinc/32/17/06/203321706.db2.gz ZDFJSDJGVIRVEH-AWEZNQCLSA-N 1 2 249.354 2.907 20 0 BFADLO Cc1ccc(C[NH+]2CC(OC(F)F)C2)c(C)c1 ZINC000459636342 203326859 /nfs/dbraw/zinc/32/68/59/203326859.db2.gz LDXKAOZLTQEUNA-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO CCOCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459757901 203357585 /nfs/dbraw/zinc/35/75/85/203357585.db2.gz HYSFEMGBVLOMCO-UHFFFAOYSA-N 1 2 225.719 2.692 20 0 BFADLO CCOCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459757901 203357588 /nfs/dbraw/zinc/35/75/88/203357588.db2.gz HYSFEMGBVLOMCO-UHFFFAOYSA-N 1 2 225.719 2.692 20 0 BFADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cscn1 ZINC000073007175 369523525 /nfs/dbraw/zinc/52/35/25/369523525.db2.gz MGSXNSQZNYZVEW-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000165726069 203386281 /nfs/dbraw/zinc/38/62/81/203386281.db2.gz IQDYEHYSAVNOLJ-VXGBXAGGSA-N 1 2 235.327 2.841 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000165725928 203386513 /nfs/dbraw/zinc/38/65/13/203386513.db2.gz IQDYEHYSAVNOLJ-NWDGAFQWSA-N 1 2 235.327 2.841 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000109827448 369542579 /nfs/dbraw/zinc/54/25/79/369542579.db2.gz KLTRRBFDHBNTFE-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000109827448 369542582 /nfs/dbraw/zinc/54/25/82/369542582.db2.gz KLTRRBFDHBNTFE-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@H](C)C3CC3)cc2[nH+]1 ZINC000620649800 369972425 /nfs/dbraw/zinc/97/24/25/369972425.db2.gz FBSUGEPNBXQTDF-SNVBAGLBSA-N 1 2 243.310 2.627 20 0 BFADLO C[C@@H](NC(=O)C1CCCCCC1)c1[nH+]ccn1C ZINC000620593997 369946603 /nfs/dbraw/zinc/94/66/03/369946603.db2.gz ANVIXFOGYAOHAB-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO CCc1cc(NCc2cc(F)ccc2F)nc[nH+]1 ZINC000111405966 370141026 /nfs/dbraw/zinc/14/10/26/370141026.db2.gz ZLBZHUHRKYRCLP-UHFFFAOYSA-N 1 2 249.264 2.929 20 0 BFADLO CCc1cnc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000075589559 370147383 /nfs/dbraw/zinc/14/73/83/370147383.db2.gz MUJMYAIZWNDWQD-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1cnc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000075589559 370147387 /nfs/dbraw/zinc/14/73/87/370147387.db2.gz MUJMYAIZWNDWQD-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cncc(Cl)c1 ZINC000621249952 370184390 /nfs/dbraw/zinc/18/43/90/370184390.db2.gz IUMHYCNRCYADLA-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cncc(Cl)c1 ZINC000621249952 370184394 /nfs/dbraw/zinc/18/43/94/370184394.db2.gz IUMHYCNRCYADLA-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[C@@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000309590902 370232727 /nfs/dbraw/zinc/23/27/27/370232727.db2.gz USJNJBNJRMNAEU-VIFPVBQESA-N 1 2 217.316 2.812 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621258256 370191065 /nfs/dbraw/zinc/19/10/65/370191065.db2.gz DCVNRBURACPVSD-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1cncc(Cl)c1 ZINC000621258256 370191066 /nfs/dbraw/zinc/19/10/66/370191066.db2.gz DCVNRBURACPVSD-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO Cc1cc(N2CC(Cc3ccsc3)C2)nc[nH+]1 ZINC000621359478 370293432 /nfs/dbraw/zinc/29/34/32/370293432.db2.gz JTPHMIHOWZFYJM-UHFFFAOYSA-N 1 2 245.351 2.525 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC(CC3CC3)C2)[nH+]1 ZINC000621359572 370294167 /nfs/dbraw/zinc/29/41/67/370294167.db2.gz NNOVSPVFKYTHLJ-UHFFFAOYSA-N 1 2 242.326 2.503 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@@H]1C ZINC000568243647 326333461 /nfs/dbraw/zinc/33/34/61/326333461.db2.gz JBLOSKJSIYSBRN-GZMMTYOYSA-N 1 2 205.305 2.694 20 0 BFADLO Cc1nccnc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000621711033 370455676 /nfs/dbraw/zinc/45/56/76/370455676.db2.gz BFNDDZLXUWVZTH-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nccnc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000621711033 370455682 /nfs/dbraw/zinc/45/56/82/370455682.db2.gz BFNDDZLXUWVZTH-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCCCc1cc(N[C@@H](C)[C@@H]2CCCO2)nc[nH+]1 ZINC000631053591 371134895 /nfs/dbraw/zinc/13/48/95/371134895.db2.gz LJAZBOIFUARKRK-AAEUAGOBSA-N 1 2 249.358 2.799 20 0 BFADLO CC(C)=CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000569046517 326387662 /nfs/dbraw/zinc/38/76/62/326387662.db2.gz JKFLJCPGAPJFAB-SNVBAGLBSA-N 1 2 203.276 2.930 20 0 BFADLO CC(C)=CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000569046517 326387663 /nfs/dbraw/zinc/38/76/63/326387663.db2.gz JKFLJCPGAPJFAB-SNVBAGLBSA-N 1 2 203.276 2.930 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)c1ccncc1 ZINC000624023605 371256455 /nfs/dbraw/zinc/25/64/55/371256455.db2.gz DOLWJIWFHJJUAX-LLVKDONJSA-N 1 2 243.310 2.701 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000624148012 371341161 /nfs/dbraw/zinc/34/11/61/371341161.db2.gz SGSSEAZWOVFSJJ-MRVPVSSYSA-N 1 2 243.301 2.789 20 0 BFADLO CC[C@H](NCC(F)(F)CC)c1[nH+]ccn1C ZINC000624148203 371344126 /nfs/dbraw/zinc/34/41/26/371344126.db2.gz YDLLPPDZWVDYHO-VIFPVBQESA-N 1 2 231.290 2.506 20 0 BFADLO Nc1ccc(NC(=O)CCCC2CCCC2)c[nH+]1 ZINC000151707500 181714169 /nfs/dbraw/zinc/71/41/69/181714169.db2.gz DXVXPQNQRQFELS-UHFFFAOYSA-N 1 2 247.342 2.963 20 0 BFADLO COc1ccc[nH+]c1N1CCC(C2CC2)CC1 ZINC000624239825 371428391 /nfs/dbraw/zinc/42/83/91/371428391.db2.gz VDKPAYYRDDHLAA-UHFFFAOYSA-N 1 2 232.327 2.717 20 0 BFADLO COc1ccc[nH+]c1NC[C@@]1(C)CC1(F)F ZINC000624399661 371500766 /nfs/dbraw/zinc/50/07/66/371500766.db2.gz RRTODXIVTSYIHB-SNVBAGLBSA-N 1 2 228.242 2.547 20 0 BFADLO COc1ccc[nH+]c1NCCCc1ccco1 ZINC000624409833 371502172 /nfs/dbraw/zinc/50/21/72/371502172.db2.gz UBTJCBPRSRQZPS-UHFFFAOYSA-N 1 2 232.283 2.728 20 0 BFADLO CCn1cc[nH+]c1CN(C)Cc1ccsc1 ZINC000624480058 371519174 /nfs/dbraw/zinc/51/91/74/371519174.db2.gz VJKMFWLKOOZQAK-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCc1cc(N[C@H](CC)CSC)nc[nH+]1 ZINC000162139446 371616423 /nfs/dbraw/zinc/61/64/23/371616423.db2.gz GUGHVKSCKKUALU-SNVBAGLBSA-N 1 2 225.361 2.593 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371399 371589678 /nfs/dbraw/zinc/58/96/78/371589678.db2.gz DBTGCMGGDATPQU-CQSZACIVSA-N 1 2 249.358 2.511 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371399 371589686 /nfs/dbraw/zinc/58/96/86/371589686.db2.gz DBTGCMGGDATPQU-CQSZACIVSA-N 1 2 249.358 2.511 20 0 BFADLO COc1ccc(NCc2ccccc2)[nH+]c1 ZINC000226949011 371758671 /nfs/dbraw/zinc/75/86/71/371758671.db2.gz IYVFIUQFCUWKRY-UHFFFAOYSA-N 1 2 214.268 2.702 20 0 BFADLO C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162699530 371822624 /nfs/dbraw/zinc/82/26/24/371822624.db2.gz LRCCETOWGAAOOG-BXKDBHETSA-N 1 2 241.294 2.671 20 0 BFADLO C[C@H]1C[C@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162699667 371823316 /nfs/dbraw/zinc/82/33/16/371823316.db2.gz LRCCETOWGAAOOG-JOYOIKCWSA-N 1 2 241.294 2.671 20 0 BFADLO CN(CC1(C)COC1)c1cc2ccccc2c[nH+]1 ZINC000631387565 372328977 /nfs/dbraw/zinc/32/89/77/372328977.db2.gz OFYPQUYAXJCLQB-UHFFFAOYSA-N 1 2 242.322 2.708 20 0 BFADLO Cc1cc(N[C@]23C[C@H]2CCCC3)nc[nH+]1 ZINC000631477303 372384992 /nfs/dbraw/zinc/38/49/92/372384992.db2.gz ZPMNNTCZKWUOSD-ZYHUDNBSSA-N 1 2 203.289 2.530 20 0 BFADLO O[C@H]1CCC[C@@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000631523035 372408544 /nfs/dbraw/zinc/40/85/44/372408544.db2.gz DUVKHOCFKADEEE-STQMWFEESA-N 1 2 246.285 2.699 20 0 BFADLO C[N@H+](CC(F)F)[C@@H]1CCc2ccccc21 ZINC000171668933 372726601 /nfs/dbraw/zinc/72/66/01/372726601.db2.gz JDMKHBNIHHJPDN-LLVKDONJSA-N 1 2 211.255 2.871 20 0 BFADLO C[N@@H+](CC(F)F)[C@@H]1CCc2ccccc21 ZINC000171668933 372726608 /nfs/dbraw/zinc/72/66/08/372726608.db2.gz JDMKHBNIHHJPDN-LLVKDONJSA-N 1 2 211.255 2.871 20 0 BFADLO O=C(CSc1[nH+]cc2ccccn21)CC1CC1 ZINC000278233566 182011225 /nfs/dbraw/zinc/01/12/25/182011225.db2.gz JYYPAWHNEHYNEU-UHFFFAOYSA-N 1 2 246.335 2.796 20 0 BFADLO CCO[C@H]1C[C@H]([N@H+](C)CC(F)F)C12CCCC2 ZINC000172670143 373038553 /nfs/dbraw/zinc/03/85/53/373038553.db2.gz VCDSIQKNBKAQNX-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@H]1C[C@H]([N@@H+](C)CC(F)F)C12CCCC2 ZINC000172670143 373038559 /nfs/dbraw/zinc/03/85/59/373038559.db2.gz VCDSIQKNBKAQNX-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO FC(F)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172852564 373094966 /nfs/dbraw/zinc/09/49/66/373094966.db2.gz GUOAQODMCUDVHN-LBPRGKRZSA-N 1 2 225.282 2.816 20 0 BFADLO FC(F)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000172852564 373094973 /nfs/dbraw/zinc/09/49/73/373094973.db2.gz GUOAQODMCUDVHN-LBPRGKRZSA-N 1 2 225.282 2.816 20 0 BFADLO Fc1ccc(C[NH2+]Cc2nccs2)c(F)c1 ZINC000040443920 373266814 /nfs/dbraw/zinc/26/68/14/373266814.db2.gz UHYXRCUZNZHDSM-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO Cc1sccc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000634215972 374035012 /nfs/dbraw/zinc/03/50/12/374035012.db2.gz MENDMGHCOVBTRQ-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1sccc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000634215972 374035017 /nfs/dbraw/zinc/03/50/17/374035017.db2.gz MENDMGHCOVBTRQ-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO C[C@@H](CC1CCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000634372417 374222855 /nfs/dbraw/zinc/22/28/55/374222855.db2.gz PUOYRFXHOIGSIU-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nnc(C[N@H+](Cc2ccccc2)C(C)C)[nH]1 ZINC000428472371 206058114 /nfs/dbraw/zinc/05/81/14/206058114.db2.gz HYWKNJWBXBBUIQ-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1nnc(C[N@@H+](Cc2ccccc2)C(C)C)[nH]1 ZINC000428472371 206058118 /nfs/dbraw/zinc/05/81/18/206058118.db2.gz HYWKNJWBXBBUIQ-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)[C@@H](C)[C@@H](C)O1 ZINC000445673136 206084786 /nfs/dbraw/zinc/08/47/86/206084786.db2.gz CZSOZGKVGZEIGC-OUAUKWLOSA-N 1 2 245.326 2.565 20 0 BFADLO Cc1cc(N2CCCCC(C)(C)C2)nc[nH+]1 ZINC000445669269 206086282 /nfs/dbraw/zinc/08/62/82/206086282.db2.gz ZBSVJPWPVVSHSW-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@H](C)CC)c1ccccc1 ZINC000194750780 206110483 /nfs/dbraw/zinc/11/04/83/206110483.db2.gz WPQCRHWNAACTFX-TZMCWYRMSA-N 1 2 249.354 2.927 20 0 BFADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000047514852 182367016 /nfs/dbraw/zinc/36/70/16/182367016.db2.gz PWPSNTFNTWFHQB-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO O=C(Nc1cc[nH+]cc1O)c1ccccc1Cl ZINC000109889558 182387568 /nfs/dbraw/zinc/38/75/68/182387568.db2.gz DYAKAXUCORTEJF-UHFFFAOYSA-N 1 2 248.669 2.693 20 0 BFADLO O=C(Nc1cc[nH+]cc1O)c1ccc(Cl)cc1 ZINC000109890717 182387741 /nfs/dbraw/zinc/38/77/41/182387741.db2.gz FXNKFNAFIQSPPJ-UHFFFAOYSA-N 1 2 248.669 2.693 20 0 BFADLO OCCC1(CNc2cccc[nH+]2)CCCCC1 ZINC000267799061 183042046 /nfs/dbraw/zinc/04/20/46/183042046.db2.gz JHUNIBBVQQOVFE-UHFFFAOYSA-N 1 2 234.343 2.826 20 0 BFADLO OCC[C@@H](Nc1cccc[nH+]1)c1cccs1 ZINC000301358372 183091109 /nfs/dbraw/zinc/09/11/09/183091109.db2.gz NTMNAQPCFZEATG-SNVBAGLBSA-N 1 2 234.324 2.679 20 0 BFADLO CCCCc1nc(C[NH+]2[C@H](C)CC[C@H]2C)no1 ZINC000123346014 169025555 /nfs/dbraw/zinc/02/55/55/169025555.db2.gz NABMFQBQQDNSAD-GHMZBOCLSA-N 1 2 237.347 2.785 20 0 BFADLO OC[C@H]1C=C[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000302720959 183147515 /nfs/dbraw/zinc/14/75/15/183147515.db2.gz HMDVVEMPLJWUDX-WCQYABFASA-N 1 2 240.306 2.584 20 0 BFADLO CCCN(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287533779 169115485 /nfs/dbraw/zinc/11/54/85/169115485.db2.gz NRXOBFREEUVJDD-UHFFFAOYSA-N 1 2 235.331 2.962 20 0 BFADLO CCCN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000267045274 169133839 /nfs/dbraw/zinc/13/38/39/169133839.db2.gz DGEMITBQPIOBHO-UHFFFAOYSA-N 1 2 205.305 2.590 20 0 BFADLO Oc1cccc(C[N@@H+]2CCC[C@H]2CF)c1Cl ZINC000294211522 183290249 /nfs/dbraw/zinc/29/02/49/183290249.db2.gz YGIVBFUMZTWPRS-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc(C[N@H+]2CCC[C@H]2CF)c1Cl ZINC000294211522 183290251 /nfs/dbraw/zinc/29/02/51/183290251.db2.gz YGIVBFUMZTWPRS-JTQLQIEISA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cscn1 ZINC000105486466 183297025 /nfs/dbraw/zinc/29/70/25/183297025.db2.gz GRKKORSPJZELGE-GFCCVEGCSA-N 1 2 246.335 2.626 20 0 BFADLO c1c[nH+]c(CNc2ccc(OCC3CC3)cc2)[nH]1 ZINC000172121217 183324312 /nfs/dbraw/zinc/32/43/12/183324312.db2.gz XDYVSFMUXUFASY-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO c1c[nH+]c(CNc2ccc(-c3cnco3)cc2)[nH]1 ZINC000049715533 183325010 /nfs/dbraw/zinc/32/50/10/183325010.db2.gz REXRUFRTDZDZKS-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO c1c[nH+]c([C@H]2CCCCN2Cc2cscn2)[nH]1 ZINC000152023539 183326892 /nfs/dbraw/zinc/32/68/92/183326892.db2.gz KKPPMQSDKNIRPJ-LLVKDONJSA-N 1 2 248.355 2.593 20 0 BFADLO CCC[N@@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000126075691 169205466 /nfs/dbraw/zinc/20/54/66/169205466.db2.gz QDAJIHJQTOAZKC-LBPRGKRZSA-N 1 2 223.316 2.625 20 0 BFADLO CCC[N@H+]1CCOC[C@H]1c1ccc(CC)o1 ZINC000126075691 169205468 /nfs/dbraw/zinc/20/54/68/169205468.db2.gz QDAJIHJQTOAZKC-LBPRGKRZSA-N 1 2 223.316 2.625 20 0 BFADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)c[nH]1 ZINC000336337177 183354728 /nfs/dbraw/zinc/35/47/28/183354728.db2.gz TTYSWFZWSCZGGA-UHFFFAOYSA-N 1 2 227.311 2.901 20 0 BFADLO c1cc(NC[C@H]2CCCS2)nc(C2CC2)[nH+]1 ZINC000128028599 183356801 /nfs/dbraw/zinc/35/68/01/183356801.db2.gz VRIJISYJAFXKIV-SNVBAGLBSA-N 1 2 235.356 2.662 20 0 BFADLO c1cc(NCC2(C3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000131243631 183357322 /nfs/dbraw/zinc/35/73/22/183357322.db2.gz TYWVJWDBHFYLTH-UHFFFAOYSA-N 1 2 229.327 2.956 20 0 BFADLO c1cc(NCC2CC2)[nH+]cc1N1CCCC1 ZINC000309717692 183357781 /nfs/dbraw/zinc/35/77/81/183357781.db2.gz ZLEVLRUHXMVFGK-UHFFFAOYSA-N 1 2 217.316 2.504 20 0 BFADLO c1cc(N[C@H]2C[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000309390674 183358672 /nfs/dbraw/zinc/35/86/72/183358672.db2.gz UIYFUKDLAGPWLI-MNOVXSKESA-N 1 2 215.300 2.564 20 0 BFADLO c1cc(N[C@H]2CC23CCCCC3)nc(C2CC2)[nH+]1 ZINC000356798584 183334952 /nfs/dbraw/zinc/33/49/52/183334952.db2.gz WAQHQRUWKRBCFB-LBPRGKRZSA-N 1 2 243.354 2.911 20 0 BFADLO c1cc2[nH+]ccc(N3CC[C@@H](C4CC4)C3)c2cn1 ZINC000336546746 183377370 /nfs/dbraw/zinc/37/73/70/183377370.db2.gz DVVFTYRBSCWTJW-GFCCVEGCSA-N 1 2 239.322 2.866 20 0 BFADLO c1cc2[nH+]ccc(NC3CCCC3)c2cn1 ZINC000267162027 183377576 /nfs/dbraw/zinc/37/75/76/183377576.db2.gz ADAVIXRLALJGFZ-UHFFFAOYSA-N 1 2 213.284 2.984 20 0 BFADLO c1nc(C[NH2+]C2(c3ccccc3)CC2)cs1 ZINC000068979838 183389759 /nfs/dbraw/zinc/38/97/59/183389759.db2.gz IZPIYIIVKRHTOT-UHFFFAOYSA-N 1 2 230.336 2.922 20 0 BFADLO c1cc([C@@H]2CCCC[N@H+]2Cc2ccccn2)n[nH]1 ZINC000285314005 183396871 /nfs/dbraw/zinc/39/68/71/183396871.db2.gz IHCTWHJSYKQXNF-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)n[nH]1 ZINC000285314005 183396873 /nfs/dbraw/zinc/39/68/73/183396873.db2.gz IHCTWHJSYKQXNF-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1nnsc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000336659427 183397610 /nfs/dbraw/zinc/39/76/10/183397610.db2.gz XRMCJQQIQYSDGX-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1nnsc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000336659427 183397611 /nfs/dbraw/zinc/39/76/11/183397611.db2.gz XRMCJQQIQYSDGX-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1csc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000368993800 183398461 /nfs/dbraw/zinc/39/84/61/183398461.db2.gz VQRBEDCGRZDJRL-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000368993800 183398462 /nfs/dbraw/zinc/39/84/62/183398462.db2.gz VQRBEDCGRZDJRL-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1ccc(NCCOC2CCCCC2)[nH+]c1 ZINC000070167411 183416064 /nfs/dbraw/zinc/41/60/64/183416064.db2.gz BTLNQEZQMUTFQP-UHFFFAOYSA-N 1 2 220.316 2.843 20 0 BFADLO CCCOc1cccc(C[NH+]2CC(C)(OC)C2)c1 ZINC000362309809 169325515 /nfs/dbraw/zinc/32/55/15/169325515.db2.gz UDGZSNJIVCKTQW-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000377274148 169348178 /nfs/dbraw/zinc/34/81/78/169348178.db2.gz WGCOMCUOBAIPMK-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377274148 169348180 /nfs/dbraw/zinc/34/81/80/169348180.db2.gz WGCOMCUOBAIPMK-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264901372 169348590 /nfs/dbraw/zinc/34/85/90/169348590.db2.gz FMEBUGJZMGIRRN-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280659055 169352848 /nfs/dbraw/zinc/35/28/48/169352848.db2.gz AHFRSHWWPIHAHB-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000336428482 383869189 /nfs/dbraw/zinc/86/91/89/383869189.db2.gz APHSUETVAGGHIL-KOLCDFICSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000293846847 383911679 /nfs/dbraw/zinc/91/16/79/383911679.db2.gz CISDKNBMTUDIDE-LBPRGKRZSA-N 1 2 213.284 2.748 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000036958553 383921487 /nfs/dbraw/zinc/92/14/87/383921487.db2.gz KISJCHJZYARNTQ-NSHDSACASA-N 1 2 229.327 2.823 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036967822 383922860 /nfs/dbraw/zinc/92/28/60/383922860.db2.gz OJGCGFUUROYZML-AWEZNQCLSA-N 1 2 229.327 2.897 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036967824 383923561 /nfs/dbraw/zinc/92/35/61/383923561.db2.gz OJGCGFUUROYZML-CQSZACIVSA-N 1 2 229.327 2.897 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C(C)C)C2COC2)c1 ZINC000449348614 383927336 /nfs/dbraw/zinc/92/73/36/383927336.db2.gz CXMVOBXLAAOHRX-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C(C)C)C2COC2)c1 ZINC000449348614 383927339 /nfs/dbraw/zinc/92/73/39/383927339.db2.gz CXMVOBXLAAOHRX-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000112515327 383927805 /nfs/dbraw/zinc/92/78/05/383927805.db2.gz NUVBBOOHFSFNPG-ZJUUUORDSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000066864525 383895314 /nfs/dbraw/zinc/89/53/14/383895314.db2.gz JEVYDJDVUQQOEA-NSHDSACASA-N 1 2 245.326 2.670 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000066864525 383895319 /nfs/dbraw/zinc/89/53/19/383895319.db2.gz JEVYDJDVUQQOEA-NSHDSACASA-N 1 2 245.326 2.670 20 0 BFADLO Cc1nc(N2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc[nH+]1 ZINC000624445267 383900979 /nfs/dbraw/zinc/90/09/79/383900979.db2.gz CTXPABOQDQMNDN-DTORHVGOSA-N 1 2 241.285 2.513 20 0 BFADLO CC[C@H](NC(=O)C1CCCCCC1)c1[nH]cc[nH+]1 ZINC000140456076 383902946 /nfs/dbraw/zinc/90/29/46/383902946.db2.gz DZPRTSNXFNNUCP-LBPRGKRZSA-N 1 2 249.358 2.947 20 0 BFADLO CC[C@@H](O)[C@@H](CC)Nc1[nH+]c2ccccc2n1C ZINC000313176130 383993473 /nfs/dbraw/zinc/99/34/73/383993473.db2.gz ZEZIRBPERAWCGQ-ZWNOBZJWSA-N 1 2 247.342 2.535 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000293880570 383999157 /nfs/dbraw/zinc/99/91/57/383999157.db2.gz FRZULSZVUMDETL-WDEREUQCSA-N 1 2 231.299 2.580 20 0 BFADLO Cc1ccc([N@H+](C)CC2CCOCC2)cc1 ZINC000112697500 383941155 /nfs/dbraw/zinc/94/11/55/383941155.db2.gz WJJRUPSLUJJYSK-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO Cc1ccc([N@@H+](C)CC2CCOCC2)cc1 ZINC000112697500 383941160 /nfs/dbraw/zinc/94/11/60/383941160.db2.gz WJJRUPSLUJJYSK-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CCC[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000112887117 383956439 /nfs/dbraw/zinc/95/64/39/383956439.db2.gz UVLQXXVDCXZKIC-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C(F)F ZINC000449358926 383976215 /nfs/dbraw/zinc/97/62/15/383976215.db2.gz GVQYEMUHVPHJAC-DTWKUNHWSA-N 1 2 214.259 2.776 20 0 BFADLO COC[C@@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000113355437 383976445 /nfs/dbraw/zinc/97/64/45/383976445.db2.gz COQYLLAIDMSPQR-GFCCVEGCSA-N 1 2 248.351 2.620 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000644902097 384024249 /nfs/dbraw/zinc/02/42/49/384024249.db2.gz HIMBWUHHIXLUCR-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000644902097 384024253 /nfs/dbraw/zinc/02/42/53/384024253.db2.gz HIMBWUHHIXLUCR-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CC[C@H](C)[C@H](F)C1 ZINC000644902097 384024261 /nfs/dbraw/zinc/02/42/61/384024261.db2.gz HIMBWUHHIXLUCR-WCQYABFASA-N 1 2 239.338 2.644 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037770683 384012705 /nfs/dbraw/zinc/01/27/05/384012705.db2.gz BJCAZZXCBJZDHP-NSHDSACASA-N 1 2 215.300 2.569 20 0 BFADLO CC[C@H](CC1CCCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114336090 384031445 /nfs/dbraw/zinc/03/14/45/384031445.db2.gz VEVGVRLIKAAYHX-GFCCVEGCSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1ccc(Cl)cc1OCc1c[nH+]cn1C ZINC000090233704 384039933 /nfs/dbraw/zinc/03/99/33/384039933.db2.gz VAKWBYSDJNZAFV-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO COCC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000112013260 384042092 /nfs/dbraw/zinc/04/20/92/384042092.db2.gz HCKXPBCXIGKFJH-JTQLQIEISA-N 1 2 237.347 2.745 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000037996428 384054001 /nfs/dbraw/zinc/05/40/01/384054001.db2.gz KJFGSMMYYLHNNP-NSHDSACASA-N 1 2 229.327 2.877 20 0 BFADLO CC(C)c1nc(C[NH+]2CCC3(CC3)CC2)no1 ZINC000363459757 384062093 /nfs/dbraw/zinc/06/20/93/384062093.db2.gz RFPYBKHWDSOTEL-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@@H](COC)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803520 384076054 /nfs/dbraw/zinc/07/60/54/384076054.db2.gz BDMNSMNZTAYWDX-VIFPVBQESA-N 1 2 248.248 2.937 20 0 BFADLO FCC(CF)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000449377847 384078822 /nfs/dbraw/zinc/07/88/22/384078822.db2.gz BRCYOADJQNDDCQ-OWOJBTEDSA-N 1 2 247.235 2.875 20 0 BFADLO Cc1cc(C[NH2+]C(CF)CF)ccc1F ZINC000449380983 384096524 /nfs/dbraw/zinc/09/65/24/384096524.db2.gz PVGGUBRPXRVATK-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348518 384100896 /nfs/dbraw/zinc/10/08/96/384100896.db2.gz XBUWARHBSHTCHX-DGCLKSJQSA-N 1 2 234.343 2.732 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348518 384100901 /nfs/dbraw/zinc/10/09/01/384100901.db2.gz XBUWARHBSHTCHX-DGCLKSJQSA-N 1 2 234.343 2.732 20 0 BFADLO C/C(=C\c1ccccc1)C[NH2+]C(CF)CF ZINC000449382306 384108934 /nfs/dbraw/zinc/10/89/34/384108934.db2.gz WFNCNJLGIYTXHZ-YRNVUSSQSA-N 1 2 225.282 2.987 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cnccn1 ZINC000070477978 384113132 /nfs/dbraw/zinc/11/31/32/384113132.db2.gz VDXVXMSARQPXNG-NSHDSACASA-N 1 2 242.326 2.716 20 0 BFADLO Cc1csc(C(C)(C)[NH2+]Cc2ccccn2)n1 ZINC000116382524 384131576 /nfs/dbraw/zinc/13/15/76/384131576.db2.gz VWRGZSZOBWBDJG-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO CCCc1csc(C[N@@H+]2CC[C@@H](F)C2)n1 ZINC000449390306 384147611 /nfs/dbraw/zinc/14/76/11/384147611.db2.gz GFPMTYSGCYNOKC-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO CCCc1csc(C[N@H+]2CC[C@@H](F)C2)n1 ZINC000449390306 384147614 /nfs/dbraw/zinc/14/76/14/384147614.db2.gz GFPMTYSGCYNOKC-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccco1 ZINC000091930722 384155234 /nfs/dbraw/zinc/15/52/34/384155234.db2.gz NMOQTZIDZPPKAY-UHFFFAOYSA-N 1 2 238.718 2.904 20 0 BFADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccco1 ZINC000091930722 384155242 /nfs/dbraw/zinc/15/52/42/384155242.db2.gz NMOQTZIDZPPKAY-UHFFFAOYSA-N 1 2 238.718 2.904 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594494 384186154 /nfs/dbraw/zinc/18/61/54/384186154.db2.gz XAACYZZDROBKHM-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000092594494 384186157 /nfs/dbraw/zinc/18/61/57/384186157.db2.gz XAACYZZDROBKHM-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO Cn1c[nH+]cc1CN1CCCc2c(F)cccc21 ZINC000530963006 384191436 /nfs/dbraw/zinc/19/14/36/384191436.db2.gz MXLCDMOAQNHKSO-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO CC[N@H+](Cc1csc(Cl)n1)C1CC1 ZINC000296570780 384191953 /nfs/dbraw/zinc/19/19/53/384191953.db2.gz QJTWIHYZVZLETP-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CC[N@@H+](Cc1csc(Cl)n1)C1CC1 ZINC000296570780 384191963 /nfs/dbraw/zinc/19/19/63/384191963.db2.gz QJTWIHYZVZLETP-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000093508588 384245359 /nfs/dbraw/zinc/24/53/59/384245359.db2.gz REPFXHPQWMOEMD-GFCCVEGCSA-N 1 2 223.316 2.589 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000093508588 384245363 /nfs/dbraw/zinc/24/53/63/384245363.db2.gz REPFXHPQWMOEMD-GFCCVEGCSA-N 1 2 223.316 2.589 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccc(C)o2)CCO1 ZINC000093508589 384246315 /nfs/dbraw/zinc/24/63/15/384246315.db2.gz REPFXHPQWMOEMD-LBPRGKRZSA-N 1 2 223.316 2.589 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccc(C)o2)CCO1 ZINC000093508589 384246319 /nfs/dbraw/zinc/24/63/19/384246319.db2.gz REPFXHPQWMOEMD-LBPRGKRZSA-N 1 2 223.316 2.589 20 0 BFADLO CCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119251275 384251517 /nfs/dbraw/zinc/25/15/17/384251517.db2.gz NRWZZLQVUUYIBB-UHFFFAOYSA-N 1 2 206.289 2.827 20 0 BFADLO CC(C)[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000133064528 384269568 /nfs/dbraw/zinc/26/95/68/384269568.db2.gz MRNIITNZBZJGLB-LBPRGKRZSA-N 1 2 234.343 2.732 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093867616 384275360 /nfs/dbraw/zinc/27/53/60/384275360.db2.gz OAWMDCKANLNCJJ-IAQYHMDHSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000093867616 384275367 /nfs/dbraw/zinc/27/53/67/384275367.db2.gz OAWMDCKANLNCJJ-IAQYHMDHSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C1(c2ccccc2C)CC1 ZINC000647224789 384280461 /nfs/dbraw/zinc/28/04/61/384280461.db2.gz ZYSQRIUAEODCMD-UHFFFAOYSA-N 1 2 241.338 2.805 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1csnn1 ZINC000334147986 384354462 /nfs/dbraw/zinc/35/44/62/384354462.db2.gz XIWPYKRHJOZULC-CABZTGNLSA-N 1 2 245.351 2.876 20 0 BFADLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccco1 ZINC000134441488 384357219 /nfs/dbraw/zinc/35/72/19/384357219.db2.gz FAZUUVDHWQCKPG-SECBINFHSA-N 1 2 247.323 2.840 20 0 BFADLO COCC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000045021420 384369138 /nfs/dbraw/zinc/36/91/38/384369138.db2.gz WBOTXEQURZKFOC-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120126655 384328529 /nfs/dbraw/zinc/32/85/29/384328529.db2.gz BZVXARUYWHQIIT-GHMZBOCLSA-N 1 2 235.331 2.509 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccncc2Cl)CCS1 ZINC000075715382 384334396 /nfs/dbraw/zinc/33/43/96/384334396.db2.gz LWWDVVGIMRTUOR-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccncc2Cl)CCS1 ZINC000075715382 384334403 /nfs/dbraw/zinc/33/44/03/384334403.db2.gz LWWDVVGIMRTUOR-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccco2)s1 ZINC000135009077 384405767 /nfs/dbraw/zinc/40/57/67/384405767.db2.gz BZSGTCAQXPZTDK-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cnccn2)s1 ZINC000135164025 384418412 /nfs/dbraw/zinc/41/84/12/384418412.db2.gz JDOFYNAGDYWYAW-NXEZZACHSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)[C@@H]1C ZINC000121506910 384420047 /nfs/dbraw/zinc/42/00/47/384420047.db2.gz GSPWUJWASVCKIG-KOLCDFICSA-N 1 2 233.315 2.652 20 0 BFADLO CCc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000077901937 384420374 /nfs/dbraw/zinc/42/03/74/384420374.db2.gz USIZNXXPUVMESB-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1COC1 ZINC000449428214 384379882 /nfs/dbraw/zinc/37/98/82/384379882.db2.gz UTWYCSPCKJDXBH-MFKMUULPSA-N 1 2 235.327 2.624 20 0 BFADLO CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1COC1 ZINC000449428214 384379890 /nfs/dbraw/zinc/37/98/90/384379890.db2.gz UTWYCSPCKJDXBH-MFKMUULPSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)c1ccncc1F ZINC000335606543 384380285 /nfs/dbraw/zinc/38/02/85/384380285.db2.gz BXCWCDQPCZXNCQ-SECBINFHSA-N 1 2 217.247 2.789 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NC[C@H]2CCCO2)c1 ZINC000078591925 384451621 /nfs/dbraw/zinc/45/16/21/384451621.db2.gz OXODCHOFKMZVIX-SECBINFHSA-N 1 2 246.232 2.691 20 0 BFADLO COC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000078047573 384430049 /nfs/dbraw/zinc/43/00/49/384430049.db2.gz KPQRJVGNOBTRLA-CYBMUJFWSA-N 1 2 235.327 2.536 20 0 BFADLO CS[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000078267236 384437163 /nfs/dbraw/zinc/43/71/63/384437163.db2.gz LCTJLCUGHWLDOO-WDEREUQCSA-N 1 2 237.372 2.871 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccnc1 ZINC000161142006 384466475 /nfs/dbraw/zinc/46/64/75/384466475.db2.gz FPPTVRVJGUBIAV-ZJUUUORDSA-N 1 2 233.340 2.950 20 0 BFADLO COC(=O)[C@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000047979098 384471945 /nfs/dbraw/zinc/47/19/45/384471945.db2.gz KRPJOKIRSWQFEO-CYBMUJFWSA-N 1 2 235.327 2.536 20 0 BFADLO Cn1c[nH+]cc1CNc1ccccc1Cl ZINC000085167719 384507432 /nfs/dbraw/zinc/50/74/32/384507432.db2.gz JVFMTMCRMBCBRP-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO CNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000050850430 384508285 /nfs/dbraw/zinc/50/82/85/384508285.db2.gz MXKOCHQTZYSQOM-UHFFFAOYSA-N 1 2 207.321 2.939 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ccon2)cs1 ZINC000449240332 384493686 /nfs/dbraw/zinc/49/36/86/384493686.db2.gz YMGADGCCZVAVHY-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CC[C@H](COC)Nc1ccc([NH+](C)C)cc1C ZINC000079719037 384511415 /nfs/dbraw/zinc/51/14/15/384511415.db2.gz CLQRMWYOEDSRPV-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ncc[nH]1 ZINC000335052687 384514236 /nfs/dbraw/zinc/51/42/36/384514236.db2.gz GFSWUWUZRHMRLF-VIFPVBQESA-N 1 2 228.299 2.551 20 0 BFADLO c1csc(C[N@@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000533538740 384518948 /nfs/dbraw/zinc/51/89/48/384518948.db2.gz XOZMKXBQGCXDOI-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc(C[N@H+]2CCC[C@@H]2c2ccccn2)n1 ZINC000533538740 384518952 /nfs/dbraw/zinc/51/89/52/384518952.db2.gz XOZMKXBQGCXDOI-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO CCc1ccc([C@H]([NH2+]CC(=O)OC)C(C)C)cc1 ZINC000158566904 384521550 /nfs/dbraw/zinc/52/15/50/384521550.db2.gz KKBNKAIJHLTLAO-OAHLLOKOSA-N 1 2 249.354 2.709 20 0 BFADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1C=CCCC1 ZINC000172189322 384543926 /nfs/dbraw/zinc/54/39/26/384543926.db2.gz XTQHXSPXTKJJHI-SNVBAGLBSA-N 1 2 241.285 2.819 20 0 BFADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1C=CCCC1 ZINC000172189322 384543929 /nfs/dbraw/zinc/54/39/29/384543929.db2.gz XTQHXSPXTKJJHI-SNVBAGLBSA-N 1 2 241.285 2.819 20 0 BFADLO COc1ccc(Nc2cccc[nH+]2)cc1F ZINC000082714487 384551991 /nfs/dbraw/zinc/55/19/91/384551991.db2.gz HTVUXBGVGMBFHH-UHFFFAOYSA-N 1 2 218.231 2.973 20 0 BFADLO Cc1cc(C)cc(NCc2[nH]cc[nH+]2)c1 ZINC000049714579 384556850 /nfs/dbraw/zinc/55/68/50/384556850.db2.gz BCIIXJXVVTUPRP-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1ccc(NCc2[nH]cc[nH+]2)c(C)c1 ZINC000049714451 384558261 /nfs/dbraw/zinc/55/82/61/384558261.db2.gz IRKLUODRRSQNTC-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000049714957 384561428 /nfs/dbraw/zinc/56/14/28/384561428.db2.gz LSAQGFCPWKKSDK-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccco1)c1ccc(C)o1 ZINC000080237294 384537785 /nfs/dbraw/zinc/53/77/85/384537785.db2.gz PARYCSOXXPWLHO-GFCCVEGCSA-N 1 2 235.283 2.658 20 0 BFADLO COC[C@H]([NH2+]Cc1ccc(C)o1)c1ccco1 ZINC000080240168 384539515 /nfs/dbraw/zinc/53/95/15/384539515.db2.gz HOSNKCDGBJDWPW-LBPRGKRZSA-N 1 2 235.283 2.658 20 0 BFADLO C=C/C(C)=C/CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643354346 384569012 /nfs/dbraw/zinc/56/90/12/384569012.db2.gz PKZCORNBLVRAPB-IZZDOVSWSA-N 1 2 244.338 2.837 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccon1 ZINC000309762451 384588017 /nfs/dbraw/zinc/58/80/17/384588017.db2.gz IYTATWOBYJYZHJ-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cc1occc1C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184470048 384607726 /nfs/dbraw/zinc/60/77/26/384607726.db2.gz PGLAIOUBEILDGN-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1occc1C[N@H+](C)[C@H](C)c1cnccn1 ZINC000184470048 384607734 /nfs/dbraw/zinc/60/77/34/384607734.db2.gz PGLAIOUBEILDGN-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO CCc1ccc(C[NH2+][C@H](CCO)c2ccco2)o1 ZINC000184508255 384611476 /nfs/dbraw/zinc/61/14/76/384611476.db2.gz GGQSIFILJWRQPQ-CYBMUJFWSA-N 1 2 249.310 2.648 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCC2(CC2)C1 ZINC000184581941 384622802 /nfs/dbraw/zinc/62/28/02/384622802.db2.gz XMDDODYKNWXPMT-UHFFFAOYSA-N 1 2 245.326 2.798 20 0 BFADLO CC[C@@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000050506868 384627933 /nfs/dbraw/zinc/62/79/33/384627933.db2.gz GIQWFRCQWDVEOZ-DGCLKSJQSA-N 1 2 235.327 2.536 20 0 BFADLO Cc1cc(N[C@@H]2CC23CCCCC3)nc[nH+]1 ZINC000309842942 384664134 /nfs/dbraw/zinc/66/41/34/384664134.db2.gz FEHVQPSYJHUZEJ-LLVKDONJSA-N 1 2 217.316 2.920 20 0 BFADLO C[N@@H+](Cc1cscn1)C[C@@H]1CCC(C)(C)O1 ZINC000184652039 384634379 /nfs/dbraw/zinc/63/43/79/384634379.db2.gz TTYUWQDLHSUVPM-NSHDSACASA-N 1 2 240.372 2.533 20 0 BFADLO C[N@H+](Cc1cscn1)C[C@@H]1CCC(C)(C)O1 ZINC000184652039 384634382 /nfs/dbraw/zinc/63/43/82/384634382.db2.gz TTYUWQDLHSUVPM-NSHDSACASA-N 1 2 240.372 2.533 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]CC(F)(F)CO)s1 ZINC000184691144 384636031 /nfs/dbraw/zinc/63/60/31/384636031.db2.gz GEKBJHDGSQNATA-QMMMGPOBSA-N 1 2 249.326 2.589 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)cc1C ZINC000184690593 384636652 /nfs/dbraw/zinc/63/66/52/384636652.db2.gz MCKCIKMUNDJXQE-LLVKDONJSA-N 1 2 243.297 2.582 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ncc(C)o1 ZINC000162531381 384638675 /nfs/dbraw/zinc/63/86/75/384638675.db2.gz FUQKCTVYOFXVCR-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ncc(C)o1 ZINC000162531381 384638679 /nfs/dbraw/zinc/63/86/79/384638679.db2.gz FUQKCTVYOFXVCR-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO C[C@H]1CSC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309824831 384644735 /nfs/dbraw/zinc/64/47/35/384644735.db2.gz XDEBOIHVTHMCPR-WCBMZHEXSA-N 1 2 235.356 2.517 20 0 BFADLO C[C@H]([NH2+]C[C@H]1CC=CCC1)C(F)(F)F ZINC000336655454 384645532 /nfs/dbraw/zinc/64/55/32/384645532.db2.gz NUNKIXXVJDRTLC-IUCAKERBSA-N 1 2 207.239 2.883 20 0 BFADLO CC[N@H+](CCCCCO)c1ccccc1C ZINC000051019708 384654131 /nfs/dbraw/zinc/65/41/31/384654131.db2.gz OSKTUCMACDLRFH-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO CC[N@@H+](CCCCCO)c1ccccc1C ZINC000051019708 384654135 /nfs/dbraw/zinc/65/41/35/384654135.db2.gz OSKTUCMACDLRFH-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ccccc2F)on1 ZINC000044300580 384655008 /nfs/dbraw/zinc/65/50/08/384655008.db2.gz PAZHUHDDIVPCDG-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CCOC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000044726002 384661727 /nfs/dbraw/zinc/66/17/27/384661727.db2.gz DQCGFKWQBYGTDS-NSHDSACASA-N 1 2 237.347 2.745 20 0 BFADLO CSc1ccc(NCC2=CCCOC2)[nH+]c1 ZINC000124835651 384680080 /nfs/dbraw/zinc/68/00/80/384680080.db2.gz ILPMESWPIIDBSB-UHFFFAOYSA-N 1 2 236.340 2.562 20 0 BFADLO CC[C@H](C)[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000049832432 384684182 /nfs/dbraw/zinc/68/41/82/384684182.db2.gz DZLJGFHXNRVTFR-SCRDCRAPSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000356995275 384690184 /nfs/dbraw/zinc/69/01/84/384690184.db2.gz GQIUJCKHVQOJQG-RYUDHWBXSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000356995275 384690187 /nfs/dbraw/zinc/69/01/87/384690187.db2.gz GQIUJCKHVQOJQG-RYUDHWBXSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1c(F)cccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294247354 384694266 /nfs/dbraw/zinc/69/42/66/384694266.db2.gz WKFXGDWYIFDMLK-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CC[C@H](O)CC2)c1Cl ZINC000335918353 384694824 /nfs/dbraw/zinc/69/48/24/384694824.db2.gz IJKDMGMHMZJDEK-MGCOHNPYSA-N 1 2 240.734 2.759 20 0 BFADLO Cc1ccc(F)cc1N[C@H]1CCn2cc[nH+]c21 ZINC000294274603 384710910 /nfs/dbraw/zinc/71/09/10/384710910.db2.gz YCTBBNIPQGCBKA-NSHDSACASA-N 1 2 231.274 2.888 20 0 BFADLO CCc1ccc(C(C)(C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000083477820 384777044 /nfs/dbraw/zinc/77/70/44/384777044.db2.gz RIYBCCAUGYQQGY-UHFFFAOYSA-N 1 2 243.354 2.997 20 0 BFADLO CC[C@H](CCO)CNc1[nH+]ccc(C)c1Cl ZINC000310004641 384777239 /nfs/dbraw/zinc/77/72/39/384777239.db2.gz GCIZAFYWOHUSJZ-SNVBAGLBSA-N 1 2 242.750 2.864 20 0 BFADLO Cc1ccc(NCc2cscn2)c(C)[nH+]1 ZINC000087151480 384743216 /nfs/dbraw/zinc/74/32/16/384743216.db2.gz ULCPWDHQUAKNNF-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC/C=C/CCSc1[nH+]cnc2c1cnn2C ZINC000185693358 384758483 /nfs/dbraw/zinc/75/84/83/384758483.db2.gz WZELLGCZWJINJZ-SNAWJCMRSA-N 1 2 248.355 2.812 20 0 BFADLO CC/C=C/CCSCCn1cc[nH+]c1 ZINC000185722416 384764544 /nfs/dbraw/zinc/76/45/44/384764544.db2.gz WTYBMFNKCQHQMK-ONEGZZNKSA-N 1 2 210.346 2.973 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H](C)C[C@@H](C)O)c1Cl ZINC000309987495 384767028 /nfs/dbraw/zinc/76/70/28/384767028.db2.gz ZBBQPDKMYORMAD-WCBMZHEXSA-N 1 2 242.750 2.862 20 0 BFADLO Cc1ccnc([C@H](C)[NH2+]Cc2cscn2)c1 ZINC000309778911 384825610 /nfs/dbraw/zinc/82/56/10/384825610.db2.gz MLAXWHMGTNEPDG-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000171973924 384834222 /nfs/dbraw/zinc/83/42/22/384834222.db2.gz ASTATKZKTXPZLG-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO CC[NH+](CC)Cc1noc(-c2ccccc2)n1 ZINC000053402116 384786500 /nfs/dbraw/zinc/78/65/00/384786500.db2.gz PUZRDWNUSBLFHD-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO CCCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000053398553 384787890 /nfs/dbraw/zinc/78/78/90/384787890.db2.gz OHHDMBSZGAUEOC-UHFFFAOYSA-N 1 2 245.326 2.969 20 0 BFADLO CCCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000053398553 384787897 /nfs/dbraw/zinc/78/78/97/384787897.db2.gz OHHDMBSZGAUEOC-UHFFFAOYSA-N 1 2 245.326 2.969 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000398080579 384797665 /nfs/dbraw/zinc/79/76/65/384797665.db2.gz RMADMBWKZUUEEW-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@H]1CSC1(C)C ZINC000338423942 384870788 /nfs/dbraw/zinc/87/07/88/384870788.db2.gz UMEITGQFXGQDTG-NSHDSACASA-N 1 2 247.367 2.879 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1csnn1 ZINC000398270378 384875378 /nfs/dbraw/zinc/87/53/78/384875378.db2.gz GUPCNNSTLGBKPJ-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CC[C@H]([NH2+]C[C@H]1CCSC1)C(F)(F)F ZINC000308629739 384879862 /nfs/dbraw/zinc/87/98/62/384879862.db2.gz YLRKXMRTZDPLTH-SFYZADRCSA-N 1 2 227.295 2.670 20 0 BFADLO C[C@@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000175287119 384890006 /nfs/dbraw/zinc/89/00/06/384890006.db2.gz KHASUZBRBCEKMI-ZYHUDNBSSA-N 1 2 247.342 2.509 20 0 BFADLO OCCC[N@H+](CC1CCC1)c1ccccc1 ZINC000084139386 384840972 /nfs/dbraw/zinc/84/09/72/384840972.db2.gz DUSKRHAUVHLGNZ-UHFFFAOYSA-N 1 2 219.328 2.676 20 0 BFADLO OCCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000084139386 384840976 /nfs/dbraw/zinc/84/09/76/384840976.db2.gz DUSKRHAUVHLGNZ-UHFFFAOYSA-N 1 2 219.328 2.676 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000147391175 384841052 /nfs/dbraw/zinc/84/10/52/384841052.db2.gz RFRNZSRCCCRHMY-UHFFFAOYSA-N 1 2 237.196 2.643 20 0 BFADLO Cc1csc(C[N@H+](C)CCC(F)(F)F)n1 ZINC000077317966 384864763 /nfs/dbraw/zinc/86/47/63/384864763.db2.gz UWMSXBZLKFMLOS-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO Cc1csc(C[N@@H+](C)CCC(F)(F)F)n1 ZINC000077317966 384864770 /nfs/dbraw/zinc/86/47/70/384864770.db2.gz UWMSXBZLKFMLOS-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO C[N@H+](CCOc1ccccc1)Cc1nccs1 ZINC000175080805 384866959 /nfs/dbraw/zinc/86/69/59/384866959.db2.gz AMURAOAMDHLIOR-UHFFFAOYSA-N 1 2 248.351 2.654 20 0 BFADLO C[N@@H+](CCOc1ccccc1)Cc1nccs1 ZINC000175080805 384866965 /nfs/dbraw/zinc/86/69/65/384866965.db2.gz AMURAOAMDHLIOR-UHFFFAOYSA-N 1 2 248.351 2.654 20 0 BFADLO CCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000243996403 384905738 /nfs/dbraw/zinc/90/57/38/384905738.db2.gz SFSIQKCHKGZELD-UHFFFAOYSA-N 1 2 234.347 2.679 20 0 BFADLO CCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000243996403 384905748 /nfs/dbraw/zinc/90/57/48/384905748.db2.gz SFSIQKCHKGZELD-UHFFFAOYSA-N 1 2 234.347 2.679 20 0 BFADLO Cc1nc(CNc2ccc(C)[nH+]c2)cs1 ZINC000128033793 384925704 /nfs/dbraw/zinc/92/57/04/384925704.db2.gz PWIYNGOPJXLKGK-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000085161053 384925852 /nfs/dbraw/zinc/92/58/52/384925852.db2.gz AYWSIVQOUCUDRK-GFCCVEGCSA-N 1 2 244.342 2.710 20 0 BFADLO Cc1cc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000094132270 384977496 /nfs/dbraw/zinc/97/74/96/384977496.db2.gz FWONMOOYBZAUAU-QWRGUYRKSA-N 1 2 248.326 2.532 20 0 BFADLO CC[C@H]([NH2+]Cc1conc1C)c1nccs1 ZINC000339274938 384979472 /nfs/dbraw/zinc/97/94/72/384979472.db2.gz PBSWEMVHIRRDGK-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000310337061 384987074 /nfs/dbraw/zinc/98/70/74/384987074.db2.gz LNVNHMIIYDCJRL-YGRLFVJLSA-N 1 2 227.311 2.748 20 0 BFADLO CC(C)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364100420 384988329 /nfs/dbraw/zinc/98/83/29/384988329.db2.gz TXJRNSPWRGNYDL-NSHDSACASA-N 1 2 235.331 2.509 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2ccns2)c1 ZINC000404450756 384998179 /nfs/dbraw/zinc/99/81/79/384998179.db2.gz RBVSXJFZSJKKGD-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)sn1 ZINC000404469451 385012516 /nfs/dbraw/zinc/01/25/16/385012516.db2.gz PMJWVDCWWMHDTG-VIFPVBQESA-N 1 2 232.299 2.729 20 0 BFADLO Cc1ccc([C@@H](O)CNc2cccc[nH+]2)cc1 ZINC000039111075 385012984 /nfs/dbraw/zinc/01/29/84/385012984.db2.gz BKHXDQCCIYQMIK-ZDUSSCGKSA-N 1 2 228.295 2.536 20 0 BFADLO COC1(C[N@@H+]2CCC(F)(F)C2)CCCCC1 ZINC000361594103 385018126 /nfs/dbraw/zinc/01/81/26/385018126.db2.gz LQHISVBYTNDKRP-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO COC1(C[N@H+]2CCC(F)(F)C2)CCCCC1 ZINC000361594103 385018135 /nfs/dbraw/zinc/01/81/35/385018135.db2.gz LQHISVBYTNDKRP-UHFFFAOYSA-N 1 2 233.302 2.677 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CSC(C)(C)C ZINC000107293485 384962378 /nfs/dbraw/zinc/96/23/78/384962378.db2.gz HWYIIKXOZHGEKM-UHFFFAOYSA-N 1 2 238.356 2.860 20 0 BFADLO Cc1ccc(NCc2cccn2C)c(C)[nH+]1 ZINC000087151559 385077349 /nfs/dbraw/zinc/07/73/49/385077349.db2.gz LZFDUDOLGVOTMI-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1ccc(N[C@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC000087151810 385080242 /nfs/dbraw/zinc/08/02/42/385080242.db2.gz MWTVDXFIQCGUHM-PWSUYJOCSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(C[NH2+]Cc2csc(C)n2)sn1 ZINC000404502768 385023918 /nfs/dbraw/zinc/02/39/18/385023918.db2.gz ZEMGYELZTTZQAD-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO C[NH+](C)c1ccc(NCc2cscn2)cc1 ZINC000058946939 385035534 /nfs/dbraw/zinc/03/55/34/385035534.db2.gz UWVYNTNTDBLPMR-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO COCc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000119579208 385129111 /nfs/dbraw/zinc/12/91/11/385129111.db2.gz GHFJWNOBZPVZQP-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716744 385132563 /nfs/dbraw/zinc/13/25/63/385132563.db2.gz RSTRYRJEIXMOHG-CVEARBPZSA-N 1 2 245.366 2.858 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716744 385132567 /nfs/dbraw/zinc/13/25/67/385132567.db2.gz RSTRYRJEIXMOHG-CVEARBPZSA-N 1 2 245.366 2.858 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cccs2)no1 ZINC000061779597 385139922 /nfs/dbraw/zinc/13/99/22/385139922.db2.gz UQIIZONWCCQUNA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cccs2)no1 ZINC000061779597 385139927 /nfs/dbraw/zinc/13/99/27/385139927.db2.gz UQIIZONWCCQUNA-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCc1nc(C)c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000644682183 385096556 /nfs/dbraw/zinc/09/65/56/385096556.db2.gz LCVOHDLMBDWXLK-ONGXEEELSA-N 1 2 240.322 2.725 20 0 BFADLO CCc1nc(C)c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000644682183 385096563 /nfs/dbraw/zinc/09/65/63/385096563.db2.gz LCVOHDLMBDWXLK-ONGXEEELSA-N 1 2 240.322 2.725 20 0 BFADLO CC[C@@H](CNc1cc(C(F)(F)F)cc[nH+]1)OC ZINC000310508110 385098947 /nfs/dbraw/zinc/09/89/47/385098947.db2.gz TXVBBXZUQZQDEF-VIFPVBQESA-N 1 2 248.248 2.937 20 0 BFADLO Cc1nc(N2CC3(CCC3)C[C@H]2C)cc[nH+]1 ZINC000336366691 385184094 /nfs/dbraw/zinc/18/40/94/385184094.db2.gz PRCOZLBFJJGNPN-SNVBAGLBSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1ccc(NC(=O)N(C)C2CCC2)c(C)[nH+]1 ZINC000152209288 385165081 /nfs/dbraw/zinc/16/50/81/385165081.db2.gz AYMSZPLYZMZBGT-UHFFFAOYSA-N 1 2 233.315 2.715 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)CSC(C)(C)C ZINC000130135787 385222179 /nfs/dbraw/zinc/22/21/79/385222179.db2.gz JWLBNKWIVLWTFP-SECBINFHSA-N 1 2 241.404 2.728 20 0 BFADLO CC(C)CCOCCNc1cccc[nH+]1 ZINC000045108117 385246543 /nfs/dbraw/zinc/24/65/43/385246543.db2.gz FZXHCJSCGXPTLC-UHFFFAOYSA-N 1 2 208.305 2.556 20 0 BFADLO C[C@@H](O)CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000227999060 385307484 /nfs/dbraw/zinc/30/74/84/385307484.db2.gz MURRPSBVMPZWQP-MRVPVSSYSA-N 1 2 248.248 2.673 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000190789597 385263535 /nfs/dbraw/zinc/26/35/35/385263535.db2.gz QUPSBIFPFSBUIV-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO CC(C)c1nc(N2CCC=C(F)C2)cc[nH+]1 ZINC000335912954 385338979 /nfs/dbraw/zinc/33/89/79/385338979.db2.gz LXQYXQXYWOTBHF-UHFFFAOYSA-N 1 2 221.279 2.664 20 0 BFADLO CCc1ccc(CNc2cc[nH+]cc2F)o1 ZINC000192149598 385345744 /nfs/dbraw/zinc/34/57/44/385345744.db2.gz AEWQNDNOTABZTC-UHFFFAOYSA-N 1 2 220.247 2.988 20 0 BFADLO COc1ccc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000158125491 385350040 /nfs/dbraw/zinc/35/00/40/385350040.db2.gz SUZYFGWURQKAST-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccon1 ZINC000309022299 385365366 /nfs/dbraw/zinc/36/53/66/385365366.db2.gz XXHDLJQNTGPPHT-BDAKNGLRSA-N 1 2 206.245 2.679 20 0 BFADLO CC(C)c1nc(N[C@@H]2CC2(C)C)cc[nH+]1 ZINC000309015408 385371218 /nfs/dbraw/zinc/37/12/18/385371218.db2.gz UGXYLNIGMGNZFY-SECBINFHSA-N 1 2 205.305 2.810 20 0 BFADLO CC(C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000110111143 385380779 /nfs/dbraw/zinc/38/07/79/385380779.db2.gz YFUKBXSLWYKXDM-UHFFFAOYSA-N 1 2 205.305 2.812 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000155960018 385424857 /nfs/dbraw/zinc/42/48/57/385424857.db2.gz HBHZUQWVADWBAS-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccc(F)cc2F)[C@H]1C ZINC000155960018 385424863 /nfs/dbraw/zinc/42/48/63/385424863.db2.gz HBHZUQWVADWBAS-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO CSC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000193730217 385409252 /nfs/dbraw/zinc/40/92/52/385409252.db2.gz AYAQAMBPDLYLIB-UHFFFAOYSA-N 1 2 249.383 2.970 20 0 BFADLO C[C@@H]1OCC[C@H]1SCc1cn2ccccc2[nH+]1 ZINC000178841203 385420998 /nfs/dbraw/zinc/42/09/98/385420998.db2.gz RNCVMHJNTYVCKV-CMPLNLGQSA-N 1 2 248.351 2.745 20 0 BFADLO C[C@H](CC(=O)N[C@@H](C)CCC1CC1)n1cc[nH+]c1 ZINC000518777019 385470121 /nfs/dbraw/zinc/47/01/21/385470121.db2.gz OPINZXGUMXWWAM-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnn(C(C)C)c2)o1 ZINC000179618626 385477206 /nfs/dbraw/zinc/47/72/06/385477206.db2.gz AKDBTIRMDNJLOD-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnn(C(C)C)c2)o1 ZINC000179618626 385477209 /nfs/dbraw/zinc/47/72/09/385477209.db2.gz AKDBTIRMDNJLOD-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2cccs2)no1 ZINC000182554507 385458678 /nfs/dbraw/zinc/45/86/78/385458678.db2.gz RTOJEFQGJMBUEG-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cccs2)o1 ZINC000182560360 385458763 /nfs/dbraw/zinc/45/87/63/385458763.db2.gz QSLJOIBECTZZFP-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)C ZINC000179855673 385493734 /nfs/dbraw/zinc/49/37/34/385493734.db2.gz HQHRZWCBXJSLDK-UHFFFAOYSA-N 1 2 221.304 2.558 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000179909356 385500234 /nfs/dbraw/zinc/50/02/34/385500234.db2.gz JEDKWNIBYKFSLP-OAHLLOKOSA-N 1 2 241.338 2.837 20 0 BFADLO Fc1ccc(C[NH+]2CCC2)cc1Br ZINC000257818791 385503342 /nfs/dbraw/zinc/50/33/42/385503342.db2.gz AGWFRYQPYHNSIU-UHFFFAOYSA-N 1 2 244.107 2.794 20 0 BFADLO CCO[C@@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000336775894 385506948 /nfs/dbraw/zinc/50/69/48/385506948.db2.gz DBBRDVZJJIKVHW-DTWKUNHWSA-N 1 2 233.302 2.577 20 0 BFADLO CC(C)c1nc(N2CCC[C@H](C)C2)cc[nH+]1 ZINC000106461847 385510126 /nfs/dbraw/zinc/51/01/26/385510126.db2.gz DINKZWVXKXFOHW-NSHDSACASA-N 1 2 219.332 2.836 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000157868762 385531356 /nfs/dbraw/zinc/53/13/56/385531356.db2.gz DVGKBPXOZDJPFT-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000157868762 385531362 /nfs/dbraw/zinc/53/13/62/385531362.db2.gz DVGKBPXOZDJPFT-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO Cc1nc(N2CC(C3CC3)C2)c2c([nH+]1)CCCC2 ZINC000643169486 385538103 /nfs/dbraw/zinc/53/81/03/385538103.db2.gz FXCANDGSYXXASD-UHFFFAOYSA-N 1 2 243.354 2.510 20 0 BFADLO CC/C=C(\C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000171805366 385518561 /nfs/dbraw/zinc/51/85/61/385518561.db2.gz WCEQOBQHZGLAQB-WEVVVXLNSA-N 1 2 204.273 2.685 20 0 BFADLO CC1(C)CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000171833698 385521001 /nfs/dbraw/zinc/52/10/01/385521001.db2.gz ASAKBAUZJBYPPZ-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000171833698 385521005 /nfs/dbraw/zinc/52/10/05/385521005.db2.gz ASAKBAUZJBYPPZ-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO Cc1cnc(C[NH+]2Cc3ccccc3C2)s1 ZINC000180483117 385525097 /nfs/dbraw/zinc/52/50/97/385525097.db2.gz VKXADXQCYSKVMY-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000493254281 385557040 /nfs/dbraw/zinc/55/70/40/385557040.db2.gz LQJQGUFNXXVBOY-TVRMLOFPSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000493254283 385558030 /nfs/dbraw/zinc/55/80/30/385558030.db2.gz LQJQGUFNXXVBOY-WSKFYRRCSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccsc1 ZINC000107293239 385560913 /nfs/dbraw/zinc/56/09/13/385560913.db2.gz YVKWSGIECMUPNZ-UHFFFAOYSA-N 1 2 218.281 2.704 20 0 BFADLO COC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181345738 385572843 /nfs/dbraw/zinc/57/28/43/385572843.db2.gz KZMDLDKNPUSWPK-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000181544057 385583192 /nfs/dbraw/zinc/58/31/92/385583192.db2.gz ZAZQKPGKKSYEKN-JTQLQIEISA-N 1 2 232.283 2.539 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000598642480 385624266 /nfs/dbraw/zinc/62/42/66/385624266.db2.gz RYRKCCZTVOVOJD-JTQLQIEISA-N 1 2 235.331 2.712 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000598642480 385624270 /nfs/dbraw/zinc/62/42/70/385624270.db2.gz RYRKCCZTVOVOJD-JTQLQIEISA-N 1 2 235.331 2.712 20 0 BFADLO CSCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000596284536 385646950 /nfs/dbraw/zinc/64/69/50/385646950.db2.gz BTPNGFNSARTQMC-UHFFFAOYSA-N 1 2 236.340 2.624 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184712288 385702428 /nfs/dbraw/zinc/70/24/28/385702428.db2.gz GXXVYSWHIGORAP-SNVBAGLBSA-N 1 2 243.297 2.527 20 0 BFADLO c1ccc2[nH+]c(N3C[C@H]4CCC[C@@H]4C3)[nH]c2c1 ZINC000270553242 385716623 /nfs/dbraw/zinc/71/66/23/385716623.db2.gz GVAKQYTVOBHDMN-GHMZBOCLSA-N 1 2 227.311 2.799 20 0 BFADLO CC(C)COCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000337457690 385670355 /nfs/dbraw/zinc/67/03/55/385670355.db2.gz ISGKQZQMQOHDMQ-LLVKDONJSA-N 1 2 235.318 2.636 20 0 BFADLO CC(C)COCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000337457690 385670360 /nfs/dbraw/zinc/67/03/60/385670360.db2.gz ISGKQZQMQOHDMQ-LLVKDONJSA-N 1 2 235.318 2.636 20 0 BFADLO CCC1(C)CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000337628813 385730543 /nfs/dbraw/zinc/73/05/43/385730543.db2.gz BWZIFMCTPSVCMU-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)o1 ZINC000270706689 385732555 /nfs/dbraw/zinc/73/25/55/385732555.db2.gz JZTAGEMMPGDMCU-SNVBAGLBSA-N 1 2 248.330 2.680 20 0 BFADLO Cc1nocc1CSc1[nH+]cc2ccccn21 ZINC000647915370 385755609 /nfs/dbraw/zinc/75/56/09/385755609.db2.gz RCHJKNACGULFKF-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CSCCCCCNc1cc[nH+]c(C)n1 ZINC000186363562 385758754 /nfs/dbraw/zinc/75/87/54/385758754.db2.gz VVHSSXCLVOXYFT-UHFFFAOYSA-N 1 2 225.361 2.730 20 0 BFADLO c1ccc2[nH+]c(N3CCC4(CCC4)C3)[nH]c2c1 ZINC000270596617 385723034 /nfs/dbraw/zinc/72/30/34/385723034.db2.gz UTCJYZVLSTZEDM-UHFFFAOYSA-N 1 2 227.311 2.943 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1C[C@H]1C(C)C)c1[nH]cc[nH+]1 ZINC000283037930 385804277 /nfs/dbraw/zinc/80/42/77/385804277.db2.gz PBWGYDPPIKGICE-SRVKXCTJSA-N 1 2 249.358 2.515 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(C)C)c1[nH]cc[nH+]1 ZINC000283037942 385805903 /nfs/dbraw/zinc/80/59/03/385805903.db2.gz PBWGYDPPIKGICE-UTUOFQBUSA-N 1 2 249.358 2.515 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2csnn2)CC1 ZINC000271265147 385810821 /nfs/dbraw/zinc/81/08/21/385810821.db2.gz IDXGJXCKNPCBET-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2csnn2)CC1 ZINC000271265147 385810823 /nfs/dbraw/zinc/81/08/23/385810823.db2.gz IDXGJXCKNPCBET-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO COC(=O)[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000231664874 385811481 /nfs/dbraw/zinc/81/14/81/385811481.db2.gz YWKMGVFWFWUWGL-GXTWGEPZSA-N 1 2 249.354 2.577 20 0 BFADLO CCC[C@@H]1CCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283292182 385816071 /nfs/dbraw/zinc/81/60/71/385816071.db2.gz WYPTVAHMOHLLGB-SBDDDAINSA-N 1 2 247.342 2.604 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCC1CC1)c1ccccc1C ZINC000120680597 385818534 /nfs/dbraw/zinc/81/85/34/385818534.db2.gz UDWJPCZTCAOCHS-AWEZNQCLSA-N 1 2 247.338 2.599 20 0 BFADLO c1ccc(N[C@@H]2CCCC23CCOCC3)[nH+]c1 ZINC000283549427 385822896 /nfs/dbraw/zinc/82/28/96/385822896.db2.gz OXUWVWUZVJLGNI-GFCCVEGCSA-N 1 2 232.327 2.843 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000271455894 385830503 /nfs/dbraw/zinc/83/05/03/385830503.db2.gz FMJREJKVDBLYDW-GWCFXTLKSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccn1 ZINC000271455894 385830506 /nfs/dbraw/zinc/83/05/06/385830506.db2.gz FMJREJKVDBLYDW-GWCFXTLKSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000283874178 385838331 /nfs/dbraw/zinc/83/83/31/385838331.db2.gz IUXVASKYUGPRBO-ZYHUDNBSSA-N 1 2 230.311 2.931 20 0 BFADLO Fc1cccc(COc2cc[nH+]cc2)c1 ZINC000335774184 385855011 /nfs/dbraw/zinc/85/50/11/385855011.db2.gz VLWFOUHNJPGLPE-UHFFFAOYSA-N 1 2 203.216 2.800 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC[C@H]2C)o1 ZINC000271105407 385788360 /nfs/dbraw/zinc/78/83/60/385788360.db2.gz VLECTBPFACTUAL-WZRBSPASSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@H]2C)o1 ZINC000271105407 385788363 /nfs/dbraw/zinc/78/83/63/385788363.db2.gz VLECTBPFACTUAL-WZRBSPASSA-N 1 2 235.327 2.624 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CC(C)C ZINC000271141545 385793803 /nfs/dbraw/zinc/79/38/03/385793803.db2.gz QDPOOYKSPVBJPB-UHFFFAOYSA-N 1 2 221.304 2.510 20 0 BFADLO CCC1(C(=O)Nc2cc[nH+]c(C)c2)CCOCC1 ZINC000272342435 385895957 /nfs/dbraw/zinc/89/59/57/385895957.db2.gz POEWABUJSNVMJX-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO C[N@H+](CCc1ccncc1)C/C(Cl)=C/Cl ZINC000272352229 385896271 /nfs/dbraw/zinc/89/62/71/385896271.db2.gz KYXWFJHFUDUCAN-FLIBITNWSA-N 1 2 245.153 2.875 20 0 BFADLO C[N@@H+](CCc1ccncc1)C/C(Cl)=C/Cl ZINC000272352229 385896273 /nfs/dbraw/zinc/89/62/73/385896273.db2.gz KYXWFJHFUDUCAN-FLIBITNWSA-N 1 2 245.153 2.875 20 0 BFADLO FC1=CCC[N@H+](Cc2cccc3nsnc32)C1 ZINC000272462757 385904566 /nfs/dbraw/zinc/90/45/66/385904566.db2.gz KMJDYJCJJHKAEQ-UHFFFAOYSA-N 1 2 249.314 2.750 20 0 BFADLO FC1=CCC[N@@H+](Cc2cccc3nsnc32)C1 ZINC000272462757 385904573 /nfs/dbraw/zinc/90/45/73/385904573.db2.gz KMJDYJCJJHKAEQ-UHFFFAOYSA-N 1 2 249.314 2.750 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CCC=C(F)C2)s1 ZINC000272515014 385908974 /nfs/dbraw/zinc/90/89/74/385908974.db2.gz PGKAVRLGJFMTRI-UHFFFAOYSA-N 1 2 226.320 2.819 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CCC=C(F)C2)s1 ZINC000272515014 385908977 /nfs/dbraw/zinc/90/89/77/385908977.db2.gz PGKAVRLGJFMTRI-UHFFFAOYSA-N 1 2 226.320 2.819 20 0 BFADLO CC/C(C)=C/C(=O)Nc1cc[nH+]c(C)c1 ZINC000294881685 385909984 /nfs/dbraw/zinc/90/99/84/385909984.db2.gz DQVGSERQIGYNLJ-VQHVLOKHSA-N 1 2 204.273 2.685 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)C(C)(F)F)c(C)[nH+]1 ZINC000294900500 385912374 /nfs/dbraw/zinc/91/23/74/385912374.db2.gz JFYLMTBGMSNDAD-QMMMGPOBSA-N 1 2 242.269 2.928 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294938941 385921754 /nfs/dbraw/zinc/92/17/54/385921754.db2.gz PHKJBMVOARFJBD-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO CO[C@@H](CNc1cccc[nH+]1)Cc1ccccc1 ZINC000294967324 385927114 /nfs/dbraw/zinc/92/71/14/385927114.db2.gz NSGADRCZCKGICI-CQSZACIVSA-N 1 2 242.322 2.751 20 0 BFADLO c1c(CS[C@H]2CCCOC2)[nH+]c2ccccn12 ZINC000335017014 385976420 /nfs/dbraw/zinc/97/64/20/385976420.db2.gz LVCFQIUKXFWEAQ-LBPRGKRZSA-N 1 2 248.351 2.747 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccn2)sc1C ZINC000295191799 385988212 /nfs/dbraw/zinc/98/82/12/385988212.db2.gz RFXLVBZUOVSZQV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccn2)sc1C ZINC000295191799 385988217 /nfs/dbraw/zinc/98/82/17/385988217.db2.gz RFXLVBZUOVSZQV-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000414053611 385932672 /nfs/dbraw/zinc/93/26/72/385932672.db2.gz AXIMKRXAAAKMNG-MNOVXSKESA-N 1 2 233.315 2.733 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cnn(C)c1 ZINC000335052739 385951111 /nfs/dbraw/zinc/95/11/11/385951111.db2.gz HNPYZDZRUZRJQS-JTQLQIEISA-N 1 2 242.326 2.561 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccnn1C ZINC000335054168 385954762 /nfs/dbraw/zinc/95/47/62/385954762.db2.gz NLLKJXHKDDJPHI-JTQLQIEISA-N 1 2 242.326 2.561 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000342199975 385956284 /nfs/dbraw/zinc/95/62/84/385956284.db2.gz JVSAMKRUTCQTGI-JTQLQIEISA-N 1 2 234.274 2.789 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc[nH]n1 ZINC000295106569 385966723 /nfs/dbraw/zinc/96/67/23/385966723.db2.gz VPYMXJHNYUSQNR-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc[nH]n1 ZINC000295106569 385966732 /nfs/dbraw/zinc/96/67/32/385966732.db2.gz VPYMXJHNYUSQNR-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO F[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335016461 385974235 /nfs/dbraw/zinc/97/42/35/385974235.db2.gz XZOLXBSCTDVWCP-SECBINFHSA-N 1 2 219.263 2.501 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccon1 ZINC000336769810 386003504 /nfs/dbraw/zinc/00/35/04/386003504.db2.gz VWPHLTZIDZJUII-ZETCQYMHSA-N 1 2 226.663 2.772 20 0 BFADLO c1c[nH+]c(COCCCOCc2ccccc2)[nH]1 ZINC000273460006 386004730 /nfs/dbraw/zinc/00/47/30/386004730.db2.gz MRIAQSQDDDHFNX-UHFFFAOYSA-N 1 2 246.310 2.533 20 0 BFADLO Cc1occc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000335072431 386019015 /nfs/dbraw/zinc/01/90/15/386019015.db2.gz FRYSCCPKODJIBB-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO Cc1cc(CNC(=O)C2CCCCC2)cc(C)[nH+]1 ZINC000335072399 386023055 /nfs/dbraw/zinc/02/30/55/386023055.db2.gz YJKJMTNZTJGZJN-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2CC=CCC2)cc(C)[nH+]1 ZINC000335072453 386024158 /nfs/dbraw/zinc/02/41/58/386024158.db2.gz GLJSYUGTYQWOJA-AWEZNQCLSA-N 1 2 244.338 2.671 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cccc(C(C)=O)c2)CCO1 ZINC000295593128 386056885 /nfs/dbraw/zinc/05/68/85/386056885.db2.gz TUICKVGOZHGMIL-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cccc(C(C)=O)c2)CCO1 ZINC000295593128 386056886 /nfs/dbraw/zinc/05/68/86/386056886.db2.gz TUICKVGOZHGMIL-HNNXBMFYSA-N 1 2 247.338 2.500 20 0 BFADLO Cc1cc[nH+]c(NC[C@H]2CCC[C@@H]2O)c1Cl ZINC000334577852 386041466 /nfs/dbraw/zinc/04/14/66/386041466.db2.gz LHIAOJWXNSGZNN-ZJUUUORDSA-N 1 2 240.734 2.616 20 0 BFADLO Cc1ccc(Cc2noc(CCC(C)C)n2)c[nH+]1 ZINC000273857767 386046396 /nfs/dbraw/zinc/04/63/96/386046396.db2.gz DFUUEOXZYKSDCE-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000295561638 386052611 /nfs/dbraw/zinc/05/26/11/386052611.db2.gz IGCZPROAOMGUFK-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc(Cc2noc(C3CCC3)n2)c[nH+]1 ZINC000273977487 386055392 /nfs/dbraw/zinc/05/53/92/386055392.db2.gz RBRRZBJMVPMRIF-UHFFFAOYSA-N 1 2 229.283 2.631 20 0 BFADLO Cc1cc(C)c(NC(=O)CC2CC2)c(C)[nH+]1 ZINC000334459925 386111398 /nfs/dbraw/zinc/11/13/98/386111398.db2.gz TZCULFKIXLPFSV-UHFFFAOYSA-N 1 2 218.300 2.745 20 0 BFADLO C[C@H]([NH2+]Cc1ccno1)c1cccc(F)c1F ZINC000223943947 386115457 /nfs/dbraw/zinc/11/54/57/386115457.db2.gz WOONAVZVEQCGTN-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC=CCC1 ZINC000287433562 386121685 /nfs/dbraw/zinc/12/16/85/386121685.db2.gz GTVKEYGZCXBIPD-LBPRGKRZSA-N 1 2 245.326 2.929 20 0 BFADLO CC(C)[N@H+](Cc1ccc(F)cc1F)C1COC1 ZINC000295612511 386060350 /nfs/dbraw/zinc/06/03/50/386060350.db2.gz DWPQHQDDEIZLNK-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO CC(C)[N@@H+](Cc1ccc(F)cc1F)C1COC1 ZINC000295612511 386060356 /nfs/dbraw/zinc/06/03/56/386060356.db2.gz DWPQHQDDEIZLNK-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO CCC[C@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000286646101 386061133 /nfs/dbraw/zinc/06/11/33/386061133.db2.gz AAUDXALDAAUJJU-JTQLQIEISA-N 1 2 237.299 2.570 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCOC3(CCC3)C2)c1 ZINC000295667811 386069482 /nfs/dbraw/zinc/06/94/82/386069482.db2.gz JWTRZANQMAXTMF-GFCCVEGCSA-N 1 2 232.327 2.904 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2CCCCC2)c[nH+]1 ZINC000335060101 386073487 /nfs/dbraw/zinc/07/34/87/386073487.db2.gz TUOVCVRASHMJRF-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO COC(=O)C(C)(C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000501491762 533158896 /nfs/dbraw/zinc/15/88/96/533158896.db2.gz PBKLCXMJRUIWFG-BENRWUELSA-N 1 2 247.338 2.631 20 0 BFADLO c1cc(N2CC[C@H](CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000338810512 386149567 /nfs/dbraw/zinc/14/95/67/386149567.db2.gz NPLJKNIAVUPWPL-GFCCVEGCSA-N 1 2 243.354 2.980 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CC[C@@](C)(F)C3)cn2c1 ZINC000335148335 386157427 /nfs/dbraw/zinc/15/74/27/386157427.db2.gz WCCDVWLNKCAFJI-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CC[C@@](C)(F)C3)cn2c1 ZINC000335148335 386157428 /nfs/dbraw/zinc/15/74/28/386157428.db2.gz WCCDVWLNKCAFJI-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000338881844 386166172 /nfs/dbraw/zinc/16/61/72/386166172.db2.gz UWINCKOVWZFBJS-UHIISALHSA-N 1 2 249.358 2.659 20 0 BFADLO Clc1cccc2c1C[N@H+](C[C@H]1CCCO1)C2 ZINC000287481553 386126191 /nfs/dbraw/zinc/12/61/91/386126191.db2.gz SHEARANAOPLZIL-LLVKDONJSA-N 1 2 237.730 2.835 20 0 BFADLO Clc1cccc2c1C[N@@H+](C[C@H]1CCCO1)C2 ZINC000287481553 386126197 /nfs/dbraw/zinc/12/61/97/386126197.db2.gz SHEARANAOPLZIL-LLVKDONJSA-N 1 2 237.730 2.835 20 0 BFADLO CC[C@H]1CCN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000287490434 386127073 /nfs/dbraw/zinc/12/70/73/386127073.db2.gz KSTQZUYICIKSEL-LBPRGKRZSA-N 1 2 247.342 2.962 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@H]2C)cn1 ZINC000334466703 386130330 /nfs/dbraw/zinc/13/03/30/386130330.db2.gz VRDXKJMTKCVGSH-LLVKDONJSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@H]2C)cn1 ZINC000334466703 386130334 /nfs/dbraw/zinc/13/03/34/386130334.db2.gz VRDXKJMTKCVGSH-LLVKDONJSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C1CC1 ZINC000287556826 386134153 /nfs/dbraw/zinc/13/41/53/386134153.db2.gz KRUHQEAFNXOLMY-UHFFFAOYSA-N 1 2 218.300 2.765 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000334465259 386137804 /nfs/dbraw/zinc/13/78/04/386137804.db2.gz UEQBAKMPUVUPSO-AAEUAGOBSA-N 1 2 247.338 2.768 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000334465259 386137811 /nfs/dbraw/zinc/13/78/11/386137811.db2.gz UEQBAKMPUVUPSO-AAEUAGOBSA-N 1 2 247.338 2.768 20 0 BFADLO CCCCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287642482 386140627 /nfs/dbraw/zinc/14/06/27/386140627.db2.gz VUGOSLZOCJNYGU-UHFFFAOYSA-N 1 2 235.331 2.962 20 0 BFADLO CC(C)(C)c1noc([C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000335149359 386141138 /nfs/dbraw/zinc/14/11/38/386141138.db2.gz OPLTXYPLDCLODL-JTQLQIEISA-N 1 2 235.331 2.666 20 0 BFADLO CC(C)(C)c1noc([C@@H]2CCC[N@H+]2C2CC2)n1 ZINC000335149359 386141141 /nfs/dbraw/zinc/14/11/41/386141141.db2.gz OPLTXYPLDCLODL-JTQLQIEISA-N 1 2 235.331 2.666 20 0 BFADLO FC(F)C[N@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000339057975 386226348 /nfs/dbraw/zinc/22/63/48/386226348.db2.gz JYTYZFQPPLPVFQ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000339057975 386226355 /nfs/dbraw/zinc/22/63/55/386226355.db2.gz JYTYZFQPPLPVFQ-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CCCCc1noc(C[N@H+]2CC(C)=C[C@H](C)C2)n1 ZINC000430287865 386226953 /nfs/dbraw/zinc/22/69/53/386226953.db2.gz YXWFWHAVTIYGKT-NSHDSACASA-N 1 2 249.358 2.810 20 0 BFADLO CCCCc1noc(C[N@@H+]2CC(C)=C[C@H](C)C2)n1 ZINC000430287865 386226984 /nfs/dbraw/zinc/22/69/84/386226984.db2.gz YXWFWHAVTIYGKT-NSHDSACASA-N 1 2 249.358 2.810 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3occc3C2)cs1 ZINC000288711152 386229226 /nfs/dbraw/zinc/22/92/26/386229226.db2.gz FIMLKOORSZGDAL-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3occc3C2)cs1 ZINC000288711152 386229227 /nfs/dbraw/zinc/22/92/27/386229227.db2.gz FIMLKOORSZGDAL-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccc(CC)cn2)CCO1 ZINC000339058986 386230381 /nfs/dbraw/zinc/23/03/81/386230381.db2.gz MBVDAGPZQXQWPK-HNNXBMFYSA-N 1 2 248.370 2.645 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccc(CC)cn2)CCO1 ZINC000339058986 386230384 /nfs/dbraw/zinc/23/03/84/386230384.db2.gz MBVDAGPZQXQWPK-HNNXBMFYSA-N 1 2 248.370 2.645 20 0 BFADLO CCc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)nc1 ZINC000339078426 386238330 /nfs/dbraw/zinc/23/83/30/386238330.db2.gz XVFKUNNIAUDOBD-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)nc1 ZINC000339078426 386238334 /nfs/dbraw/zinc/23/83/34/386238334.db2.gz XVFKUNNIAUDOBD-HNNXBMFYSA-N 1 2 248.370 2.501 20 0 BFADLO Cc1csc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288944665 386243279 /nfs/dbraw/zinc/24/32/79/386243279.db2.gz XCKXBQMLLCTOMG-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1csc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288944665 386243283 /nfs/dbraw/zinc/24/32/83/386243283.db2.gz XCKXBQMLLCTOMG-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1cncc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000340570430 386253693 /nfs/dbraw/zinc/25/36/93/386253693.db2.gz INOBLFWFKTZPNQ-UHFFFAOYSA-N 1 2 249.317 2.972 20 0 BFADLO Cc1ccncc1C[N@H+](C)Cc1cncc(F)c1 ZINC000347189272 386255126 /nfs/dbraw/zinc/25/51/26/386255126.db2.gz CPWDIVVHNRPUIL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccncc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000347189272 386255131 /nfs/dbraw/zinc/25/51/31/386255131.db2.gz CPWDIVVHNRPUIL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2nccn2CC)o1 ZINC000296642477 386192273 /nfs/dbraw/zinc/19/22/73/386192273.db2.gz YEVAJOHVNVSUPJ-LLVKDONJSA-N 1 2 247.342 2.909 20 0 BFADLO CC(C)c1nc(N2CCC3(CCC3)C2)cc[nH+]1 ZINC000131263269 386200082 /nfs/dbraw/zinc/20/00/82/386200082.db2.gz MTSUOHAWKFDGCT-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3ccsc3C2)nc1 ZINC000276250958 386289516 /nfs/dbraw/zinc/28/95/16/386289516.db2.gz PTBMPERGEXSQBC-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3ccsc3C2)nc1 ZINC000276250958 386289522 /nfs/dbraw/zinc/28/95/22/386289522.db2.gz PTBMPERGEXSQBC-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cs1 ZINC000289375891 386292434 /nfs/dbraw/zinc/29/24/34/386292434.db2.gz BUCDANROHPDNCY-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cs1 ZINC000289375891 386292438 /nfs/dbraw/zinc/29/24/38/386292438.db2.gz BUCDANROHPDNCY-QMMMGPOBSA-N 1 2 246.326 2.929 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(Cl)cn1 ZINC000416428508 386302993 /nfs/dbraw/zinc/30/29/93/386302993.db2.gz VBBRFGBWGZWBAA-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO Cc1nonc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000265117334 386307355 /nfs/dbraw/zinc/30/73/55/386307355.db2.gz JDLNOIBVSMPFGX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nonc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000265117334 386307360 /nfs/dbraw/zinc/30/73/60/386307360.db2.gz JDLNOIBVSMPFGX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000265129780 386310162 /nfs/dbraw/zinc/31/01/62/386310162.db2.gz MNIDLUGXQFYFFJ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000265129780 386310167 /nfs/dbraw/zinc/31/01/67/386310167.db2.gz MNIDLUGXQFYFFJ-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO FC(F)C[N@H+](CCC1CCOCC1)C1CC1 ZINC000336669006 386310910 /nfs/dbraw/zinc/31/09/10/386310910.db2.gz GMLXFCPRBPVAHQ-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CCC1CCOCC1)C1CC1 ZINC000336669006 386310915 /nfs/dbraw/zinc/31/09/15/386310915.db2.gz GMLXFCPRBPVAHQ-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@](C)(CC)C2)no1 ZINC000336676160 386324068 /nfs/dbraw/zinc/32/40/68/386324068.db2.gz ANYAQPDDPOYDRV-ZDUSSCGKSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@](C)(CC)C2)no1 ZINC000336676160 386324071 /nfs/dbraw/zinc/32/40/71/386324071.db2.gz ANYAQPDDPOYDRV-ZDUSSCGKSA-N 1 2 237.347 2.644 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276555874 386343904 /nfs/dbraw/zinc/34/39/04/386343904.db2.gz BROZVYCDSHCZQN-NEPJUHHUSA-N 1 2 249.358 2.552 20 0 BFADLO CC/C=C(\C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276570910 386346302 /nfs/dbraw/zinc/34/63/02/386346302.db2.gz LDRPUDBXYXGSBN-CDCCAWJDSA-N 1 2 235.331 2.579 20 0 BFADLO CCC=C(C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276570910 386346304 /nfs/dbraw/zinc/34/63/04/386346304.db2.gz LDRPUDBXYXGSBN-CDCCAWJDSA-N 1 2 235.331 2.579 20 0 BFADLO Cc1noc(C)c1C[C@@H](C)Nc1cccc[nH+]1 ZINC000265530757 386347814 /nfs/dbraw/zinc/34/78/14/386347814.db2.gz BECZLHYJYSMDQM-SECBINFHSA-N 1 2 231.299 2.730 20 0 BFADLO CC(C)[C@@H](NC(=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000276585235 386348425 /nfs/dbraw/zinc/34/84/25/386348425.db2.gz JYLDUAQHLQRFNL-GFCCVEGCSA-N 1 2 243.310 2.537 20 0 BFADLO COC[C@@H]([NH2+]Cc1cscn1)c1ccccc1 ZINC000226652477 386354383 /nfs/dbraw/zinc/35/43/83/386354383.db2.gz PJLFCUYCCRVRCJ-CYBMUJFWSA-N 1 2 248.351 2.620 20 0 BFADLO CCC[C@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276665861 386361610 /nfs/dbraw/zinc/36/16/10/386361610.db2.gz UGNKMOTUECKEHO-WDEREUQCSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccc(C)n2)s1 ZINC000336695151 386374202 /nfs/dbraw/zinc/37/42/02/386374202.db2.gz JHAPPDVELLGTHU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccc(C)n2)s1 ZINC000336695151 386374207 /nfs/dbraw/zinc/37/42/07/386374207.db2.gz JHAPPDVELLGTHU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccon2)c(C)c1 ZINC000265832256 386374988 /nfs/dbraw/zinc/37/49/88/386374988.db2.gz KYKSEPDTFYLMNA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccon2)c(C)c1 ZINC000265832256 386374995 /nfs/dbraw/zinc/37/49/95/386374995.db2.gz KYKSEPDTFYLMNA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC1(C)CC([NH2+]c2ccc(-n3ccnn3)cc2)C1 ZINC000347386043 386375693 /nfs/dbraw/zinc/37/56/93/386375693.db2.gz BHBWJQRBTWTHJZ-UHFFFAOYSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccco2)C(C)C)nc1 ZINC000336696251 386378115 /nfs/dbraw/zinc/37/81/15/386378115.db2.gz FIVGZNNBXCSKAZ-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccco2)C(C)C)nc1 ZINC000336696251 386378118 /nfs/dbraw/zinc/37/81/18/386378118.db2.gz FIVGZNNBXCSKAZ-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO COCc1ccc(CNc2cc[nH+]cc2F)o1 ZINC000276825194 386380083 /nfs/dbraw/zinc/38/00/83/386380083.db2.gz GREVRUJGKBZJTE-UHFFFAOYSA-N 1 2 236.246 2.572 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cnns1 ZINC000290025252 386385312 /nfs/dbraw/zinc/38/53/12/386385312.db2.gz MYGZUFNIZZDZOF-GFCCVEGCSA-N 1 2 248.355 2.516 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cnns1 ZINC000290025252 386385316 /nfs/dbraw/zinc/38/53/16/386385316.db2.gz MYGZUFNIZZDZOF-GFCCVEGCSA-N 1 2 248.355 2.516 20 0 BFADLO CC[C@@H](CC(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000236933797 386329147 /nfs/dbraw/zinc/32/91/47/386329147.db2.gz KCBKJQGQOXYZTF-JTQLQIEISA-N 1 2 235.331 2.675 20 0 BFADLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccco1 ZINC000164822402 386329896 /nfs/dbraw/zinc/32/98/96/386329896.db2.gz JSUCZLBBRZMSBR-LBPRGKRZSA-N 1 2 247.342 2.983 20 0 BFADLO CCO[C@H]1C[C@@H](Nc2cccc[nH+]2)C12CCC2 ZINC000266006995 386390094 /nfs/dbraw/zinc/39/00/94/386390094.db2.gz MGWWPQQPPLDJGT-NEPJUHHUSA-N 1 2 232.327 2.841 20 0 BFADLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)C(C)(C)C ZINC000266019628 386391699 /nfs/dbraw/zinc/39/16/99/386391699.db2.gz CENCGJLZOAZJSO-SNVBAGLBSA-N 1 2 245.326 2.955 20 0 BFADLO Cc1cc[nH+]cc1CCCN[C@H](C)C(F)(F)F ZINC000290195350 386403628 /nfs/dbraw/zinc/40/36/28/386403628.db2.gz PDDWLULBQYDEAI-SNVBAGLBSA-N 1 2 246.276 2.863 20 0 BFADLO Cc1ccccc1CN(C)c1cc[nH+]c(C)n1 ZINC000266154965 386406294 /nfs/dbraw/zinc/40/62/94/386406294.db2.gz UURLZANAUFUSGC-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000277134745 386410418 /nfs/dbraw/zinc/41/04/18/386410418.db2.gz JLIDFJRUHFBWBO-NYYWCZLTSA-N 1 2 243.310 2.938 20 0 BFADLO CN(CCc1cccs1)c1cccc[nH+]1 ZINC000266248229 386416703 /nfs/dbraw/zinc/41/67/03/386416703.db2.gz ZKKNOHIRMRTMPE-UHFFFAOYSA-N 1 2 218.325 2.822 20 0 BFADLO C[C@H]1CCC[C@H](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000347520563 386430902 /nfs/dbraw/zinc/43/09/02/386430902.db2.gz UFWGCFPCRUDOAW-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnc([C@@H](C)O)s1 ZINC000290413568 386433983 /nfs/dbraw/zinc/43/39/83/386433983.db2.gz QHAYAJODZMNXRL-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2nccn2C)cc1 ZINC000299594885 386470488 /nfs/dbraw/zinc/47/04/88/386470488.db2.gz KXZJPWHZTNQGRO-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2nccn2C)cc1 ZINC000299594885 386470498 /nfs/dbraw/zinc/47/04/98/386470498.db2.gz KXZJPWHZTNQGRO-CYBMUJFWSA-N 1 2 243.354 2.922 20 0 BFADLO C[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc(F)cc32)CO1 ZINC000335430059 386485663 /nfs/dbraw/zinc/48/56/63/386485663.db2.gz SGIGNKWLQROALP-BXKDBHETSA-N 1 2 246.285 2.963 20 0 BFADLO CC(C)[C@@H]([NH2+]C[C@@H]1CCSC1)C(F)(F)F ZINC000336758147 386495969 /nfs/dbraw/zinc/49/59/69/386495969.db2.gz KNVDMBHDNPERQU-DTWKUNHWSA-N 1 2 241.322 2.916 20 0 BFADLO Cc1cc(N2CCCC[C@H]2C2CCC2)nc[nH+]1 ZINC000645410210 386507474 /nfs/dbraw/zinc/50/74/74/386507474.db2.gz DSXIRBLPMRKYAR-ZDUSSCGKSA-N 1 2 231.343 2.944 20 0 BFADLO COC[C@H](C)CNc1c[nH+]c2c(c1)CCCC2 ZINC000525864415 386508299 /nfs/dbraw/zinc/50/82/99/386508299.db2.gz WRAYRNGVCGOEJW-LLVKDONJSA-N 1 2 234.343 2.655 20 0 BFADLO CC(C)c1nc(C[N@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000123054139 386529918 /nfs/dbraw/zinc/52/99/18/386529918.db2.gz MXOKRETXHKZWOA-AOOOYVTPSA-N 1 2 223.320 2.566 20 0 BFADLO CC(C)c1nc(C[N@@H+]2[C@H](C)CC[C@@H]2C)no1 ZINC000123054139 386529925 /nfs/dbraw/zinc/52/99/25/386529925.db2.gz MXOKRETXHKZWOA-AOOOYVTPSA-N 1 2 223.320 2.566 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)c1cccc(C)c1)C1CC1 ZINC000227771689 386513627 /nfs/dbraw/zinc/51/36/27/386513627.db2.gz AVRJBDYCADILTB-SMDDNHRTSA-N 1 2 247.338 2.597 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)C1CC1 ZINC000227771686 386514634 /nfs/dbraw/zinc/51/46/34/386514634.db2.gz AVRJBDYCADILTB-FZMZJTMJSA-N 1 2 247.338 2.597 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(CC)CC1 ZINC000267262559 386518036 /nfs/dbraw/zinc/51/80/36/386518036.db2.gz ONEHHEVSUREIAN-UHFFFAOYSA-N 1 2 218.300 2.773 20 0 BFADLO Fc1cccc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000135499615 386520699 /nfs/dbraw/zinc/52/06/99/386520699.db2.gz NUOPGGZTRIWCJR-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1cccc(C[N@H+]2CCOCC23CCC3)c1 ZINC000135499615 386520706 /nfs/dbraw/zinc/52/07/06/386520706.db2.gz NUOPGGZTRIWCJR-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000290580104 386455723 /nfs/dbraw/zinc/45/57/23/386455723.db2.gz BWXKDFVNTCNLJA-SFYZADRCSA-N 1 2 248.248 2.936 20 0 BFADLO CN(CCCCCO)c1ccc2ccccc2[nH+]1 ZINC000227110833 386459726 /nfs/dbraw/zinc/45/97/26/386459726.db2.gz VXAZJJOKIYIDJL-UHFFFAOYSA-N 1 2 244.338 2.834 20 0 BFADLO CCc1ccccc1CCn1cc[nH+]c1 ZINC000277712784 386460862 /nfs/dbraw/zinc/46/08/62/386460862.db2.gz NQEQNUPCPYKWHZ-UHFFFAOYSA-N 1 2 200.285 2.688 20 0 BFADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1cc[nH]n1 ZINC000291748362 386575641 /nfs/dbraw/zinc/57/56/41/386575641.db2.gz PTPOJMNFYTUFCH-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO CC(C)([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000291808036 386585048 /nfs/dbraw/zinc/58/50/48/386585048.db2.gz XYESJJCJVAOFHI-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO CC(C)(NCc1[nH]cc[nH+]1)c1ccccc1F ZINC000291808036 386585056 /nfs/dbraw/zinc/58/50/56/386585056.db2.gz XYESJJCJVAOFHI-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO Cc1cc(C)c(C)c(OCc2c[nH+]cn2C)c1 ZINC000267825291 386590661 /nfs/dbraw/zinc/59/06/61/386590661.db2.gz YTAJIORNEMHSPS-UHFFFAOYSA-N 1 2 230.311 2.924 20 0 BFADLO CC1(C(N)=O)C[NH+](Cc2ccsc2Cl)C1 ZINC000335422441 386595578 /nfs/dbraw/zinc/59/55/78/386595578.db2.gz IGSCMOWYTMBZPA-UHFFFAOYSA-N 1 2 244.747 2.759 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ncc(C)cn2)c1 ZINC000340660085 386535514 /nfs/dbraw/zinc/53/55/14/386535514.db2.gz HPMVMMQDMCPVHY-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ncc(C)cn2)c1 ZINC000340660085 386535520 /nfs/dbraw/zinc/53/55/20/386535520.db2.gz HPMVMMQDMCPVHY-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2occc2C)cn1 ZINC000414452475 386543035 /nfs/dbraw/zinc/54/30/35/386543035.db2.gz NAGXNLPGSZBAKU-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2occc2C)cn1 ZINC000414452475 386543040 /nfs/dbraw/zinc/54/30/40/386543040.db2.gz NAGXNLPGSZBAKU-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1cc(C)cc(CNc2ccc(CO)c[nH+]2)c1 ZINC000291506245 386553970 /nfs/dbraw/zinc/55/39/70/386553970.db2.gz HWPUBMWYVZNSEL-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CCn1nc(C[N@@H+]2CC[C@H](F)C2)c2ccccc21 ZINC000335405437 386562641 /nfs/dbraw/zinc/56/26/41/386562641.db2.gz ABYLXHJSFMEVGA-NSHDSACASA-N 1 2 247.317 2.600 20 0 BFADLO CCn1nc(C[N@H+]2CC[C@H](F)C2)c2ccccc21 ZINC000335405437 386562644 /nfs/dbraw/zinc/56/26/44/386562644.db2.gz ABYLXHJSFMEVGA-NSHDSACASA-N 1 2 247.317 2.600 20 0 BFADLO CCn1nc(C[N@@H+]2CC[C@@H](F)C2)c2ccccc21 ZINC000335405435 386563685 /nfs/dbraw/zinc/56/36/85/386563685.db2.gz ABYLXHJSFMEVGA-LLVKDONJSA-N 1 2 247.317 2.600 20 0 BFADLO CCn1nc(C[N@H+]2CC[C@@H](F)C2)c2ccccc21 ZINC000335405435 386563691 /nfs/dbraw/zinc/56/36/91/386563691.db2.gz ABYLXHJSFMEVGA-LLVKDONJSA-N 1 2 247.317 2.600 20 0 BFADLO Fc1cc(F)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000335407770 386568501 /nfs/dbraw/zinc/56/85/01/386568501.db2.gz TYFQYAQZPFQEEL-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO Fc1cc(F)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000335407770 386568510 /nfs/dbraw/zinc/56/85/10/386568510.db2.gz TYFQYAQZPFQEEL-VIFPVBQESA-N 1 2 215.218 2.509 20 0 BFADLO Cc1ccc(C)c(CNc2ccc(CO)c[nH+]2)c1 ZINC000291682453 386568720 /nfs/dbraw/zinc/56/87/20/386568720.db2.gz XIUGKPPOXIQCQI-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO Clc1ccc(CN2CCn3c[nH+]cc3C2)cc1 ZINC000291700838 386571514 /nfs/dbraw/zinc/57/15/14/386571514.db2.gz YYXXQTWVNKIHMP-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000335501703 386630305 /nfs/dbraw/zinc/63/03/05/386630305.db2.gz WIBFZEPRMGRSPF-PWSUYJOCSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1noc(C[NH2+]C(C)(C)c2ccccc2F)n1 ZINC000292181567 386631464 /nfs/dbraw/zinc/63/14/64/386631464.db2.gz QOVHTPSFUCSJHD-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO C[N@H+](CCF)Cc1ccc(Cl)cc1F ZINC000268283167 386636172 /nfs/dbraw/zinc/63/61/72/386636172.db2.gz GQOYVHSSXZSGPF-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(Cl)cc1F ZINC000268283167 386636174 /nfs/dbraw/zinc/63/61/74/386636174.db2.gz GQOYVHSSXZSGPF-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO CCCc1csc(C[NH+]2CCSCC2)n1 ZINC000426056994 386640288 /nfs/dbraw/zinc/64/02/88/386640288.db2.gz FDZSGXVPIRIUEH-UHFFFAOYSA-N 1 2 242.413 2.644 20 0 BFADLO c1[nH+]c2c(cc1N[C@@H]1CCSC1)CCCC2 ZINC000336646774 386642361 /nfs/dbraw/zinc/64/23/61/386642361.db2.gz BJQNDEKZOMNPFO-LLVKDONJSA-N 1 2 234.368 2.878 20 0 BFADLO CCC[C@](C)(O)CNc1cc[nH+]c2ccncc12 ZINC000267937154 386602107 /nfs/dbraw/zinc/60/21/07/386602107.db2.gz GTSZNUMWEHGBFN-AWEZNQCLSA-N 1 2 245.326 2.593 20 0 BFADLO Cc1ccc(N[C@@H](C)COC(C)C)c[nH+]1 ZINC000336757599 386606499 /nfs/dbraw/zinc/60/64/99/386606499.db2.gz KBEWXOGUJKNPQS-NSHDSACASA-N 1 2 208.305 2.615 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccsc2)[nH]1 ZINC000292001221 386609269 /nfs/dbraw/zinc/60/92/69/386609269.db2.gz BTZYWPDQJLTRSQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccsc2)[nH]1 ZINC000292001221 386609277 /nfs/dbraw/zinc/60/92/77/386609277.db2.gz BTZYWPDQJLTRSQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000335527947 386673016 /nfs/dbraw/zinc/67/30/16/386673016.db2.gz MNMUZQAGHBRTJL-NWDGAFQWSA-N 1 2 232.327 2.929 20 0 BFADLO CC[C@H]([NH2+]C[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000192851554 386681411 /nfs/dbraw/zinc/68/14/11/386681411.db2.gz KMUHXMBHUIYKTL-JSGCOSHPSA-N 1 2 249.354 2.640 20 0 BFADLO CO[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335484158 386711326 /nfs/dbraw/zinc/71/13/26/386711326.db2.gz QRFLRMABWYGGTR-GFCCVEGCSA-N 1 2 246.285 2.599 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CSC[C@H]2C)c1 ZINC000294915705 386691969 /nfs/dbraw/zinc/69/19/69/386691969.db2.gz ALFFEDNKMAQZGG-KOLCDFICSA-N 1 2 208.330 2.553 20 0 BFADLO Cc1nc(N2CC(C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000343249147 386692168 /nfs/dbraw/zinc/69/21/68/386692168.db2.gz DCWYYTJMRRGEKV-UHFFFAOYSA-N 1 2 231.343 2.638 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCC1(C(C)C)CC1 ZINC000121208671 386692278 /nfs/dbraw/zinc/69/22/78/386692278.db2.gz NGPYOCPLMOBRIF-UHFFFAOYSA-N 1 2 247.342 2.948 20 0 BFADLO CC(C)(O)CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292855506 386736452 /nfs/dbraw/zinc/73/64/52/386736452.db2.gz VXRXXXBLWDVGOS-LLVKDONJSA-N 1 2 243.297 2.743 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)n1 ZINC000268905997 386718193 /nfs/dbraw/zinc/71/81/93/386718193.db2.gz NGPPPVLLJWKTQQ-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cn1cc(Cl)c(C[N@H+](C)C2CC(C)(C)C2)n1 ZINC000335540650 386718758 /nfs/dbraw/zinc/71/87/58/386718758.db2.gz RZZBCEIBONBHEF-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+](C)C2CC(C)(C)C2)n1 ZINC000335540650 386718765 /nfs/dbraw/zinc/71/87/65/386718765.db2.gz RZZBCEIBONBHEF-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@H]2CF)cs1 ZINC000292908434 386747501 /nfs/dbraw/zinc/74/75/01/386747501.db2.gz AYFJYLXFANVZPL-JTQLQIEISA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@H]2CF)cs1 ZINC000292908434 386747506 /nfs/dbraw/zinc/74/75/06/386747506.db2.gz AYFJYLXFANVZPL-JTQLQIEISA-N 1 2 228.336 2.639 20 0 BFADLO CC(C)Cn1nccc1C[N@H+](C)Cc1ccco1 ZINC000647999385 386747445 /nfs/dbraw/zinc/74/74/45/386747445.db2.gz FSNNEWPNCNUODR-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CC(C)Cn1nccc1C[N@@H+](C)Cc1ccco1 ZINC000647999385 386747457 /nfs/dbraw/zinc/74/74/57/386747457.db2.gz FSNNEWPNCNUODR-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000292949753 386754908 /nfs/dbraw/zinc/75/49/08/386754908.db2.gz IOYQRQWWZAZZLY-LPEHRKFASA-N 1 2 240.372 2.691 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000292949753 386754913 /nfs/dbraw/zinc/75/49/13/386754913.db2.gz IOYQRQWWZAZZLY-LPEHRKFASA-N 1 2 240.372 2.691 20 0 BFADLO COc1ccccc1C(C)(C)[NH2+]Cc1cocn1 ZINC000192306223 386756125 /nfs/dbraw/zinc/75/61/25/386756125.db2.gz FMHKUKIDTLKSKI-UHFFFAOYSA-N 1 2 246.310 2.708 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000292969498 386756479 /nfs/dbraw/zinc/75/64/79/386756479.db2.gz GJRDCGAGPBJNFS-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC000292969498 386756482 /nfs/dbraw/zinc/75/64/82/386756482.db2.gz GJRDCGAGPBJNFS-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2C)o1 ZINC000292986334 386760461 /nfs/dbraw/zinc/76/04/61/386760461.db2.gz NOGWSIFCPMGXPI-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C(=O)OC)C(C)C)c1 ZINC000527049739 386760778 /nfs/dbraw/zinc/76/07/78/386760778.db2.gz ANVDEMIEOPEKLG-AWEZNQCLSA-N 1 2 249.354 2.536 20 0 BFADLO CC[C@H](c1nc(C)no1)[N@H+](C)Cc1ccccc1 ZINC000357482226 386791428 /nfs/dbraw/zinc/79/14/28/386791428.db2.gz LHTSQUVFRGFWBR-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1nc(C)no1)[N@@H+](C)Cc1ccccc1 ZINC000357482226 386791433 /nfs/dbraw/zinc/79/14/33/386791433.db2.gz LHTSQUVFRGFWBR-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO c1csc(CCNc2cccc[nH+]2)c1 ZINC000020006805 386786705 /nfs/dbraw/zinc/78/67/05/386786705.db2.gz GFSAACGJONQBBC-UHFFFAOYSA-N 1 2 204.298 2.798 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1F ZINC000293438880 386819663 /nfs/dbraw/zinc/81/96/63/386819663.db2.gz BUCGDSWNZWPKPY-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1F ZINC000293438880 386819667 /nfs/dbraw/zinc/81/96/67/386819667.db2.gz BUCGDSWNZWPKPY-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1F ZINC000293438883 386820000 /nfs/dbraw/zinc/82/00/00/386820000.db2.gz BUCGDSWNZWPKPY-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1F ZINC000293438883 386820006 /nfs/dbraw/zinc/82/00/06/386820006.db2.gz BUCGDSWNZWPKPY-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO c1ccc(NCc2noc3ccccc23)[nH+]c1 ZINC000357663938 386822920 /nfs/dbraw/zinc/82/29/20/386822920.db2.gz SUYBCPVJVLHVSH-UHFFFAOYSA-N 1 2 225.251 2.835 20 0 BFADLO FC1(CC[NH+]=c2[nH]c3ccccc3[nH]2)CCC1 ZINC000340910783 386809525 /nfs/dbraw/zinc/80/95/25/386809525.db2.gz JMVGEVICRLUODF-UHFFFAOYSA-N 1 2 233.290 2.679 20 0 BFADLO CC1(C)CCC(C[N@H+](CCO)CC(F)F)CC1 ZINC000193020526 386809818 /nfs/dbraw/zinc/80/98/18/386809818.db2.gz QNVZNJIZJLKTTP-UHFFFAOYSA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)CCC(C[N@@H+](CCO)CC(F)F)CC1 ZINC000193020526 386809823 /nfs/dbraw/zinc/80/98/23/386809823.db2.gz QNVZNJIZJLKTTP-UHFFFAOYSA-N 1 2 249.345 2.762 20 0 BFADLO F[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000340985252 386812062 /nfs/dbraw/zinc/81/20/62/386812062.db2.gz YLGWEHLMNHRBOG-NWDGAFQWSA-N 1 2 230.286 2.959 20 0 BFADLO Cc1cc(N(C)Cc2ccccc2F)nc[nH+]1 ZINC000301239754 386825128 /nfs/dbraw/zinc/82/51/28/386825128.db2.gz LUJUAPPYAHQAEJ-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO Cc1ccc(CN(C)c2cc(C)[nH+]cn2)cc1 ZINC000301241730 386827499 /nfs/dbraw/zinc/82/74/99/386827499.db2.gz MOTOFOBDIWCCCR-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO CCc1cc(CNc2cc[nH+]c(C3CC3)n2)on1 ZINC000301325580 386834397 /nfs/dbraw/zinc/83/43/97/386834397.db2.gz AQCGZHUFWQZEFA-UHFFFAOYSA-N 1 2 244.298 2.517 20 0 BFADLO c1cc(N2C[C@@H]3CCCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000301553466 386853308 /nfs/dbraw/zinc/85/33/08/386853308.db2.gz MTOXOHTXXUHDKM-STQMWFEESA-N 1 2 243.354 2.980 20 0 BFADLO C[N@H+](CCF)Cc1cc(Cl)cs1 ZINC000293552687 386835345 /nfs/dbraw/zinc/83/53/45/386835345.db2.gz FDYOXFXEWNOEHU-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO C[N@@H+](CCF)Cc1cc(Cl)cs1 ZINC000293552687 386835350 /nfs/dbraw/zinc/83/53/50/386835350.db2.gz FDYOXFXEWNOEHU-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO O=C(CC1CCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000280666548 386835612 /nfs/dbraw/zinc/83/56/12/386835612.db2.gz BADNVDPHBQUHBN-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268256 386842087 /nfs/dbraw/zinc/84/20/87/386842087.db2.gz RAQIBUTVUKRMAJ-KGYLQXTDSA-N 1 2 248.374 2.672 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000341125682 386842627 /nfs/dbraw/zinc/84/26/27/386842627.db2.gz KXKVZOHUXHIJTL-UWVGGRQHSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268260 386843378 /nfs/dbraw/zinc/84/33/78/386843378.db2.gz RAQIBUTVUKRMAJ-WXHSDQCUSA-N 1 2 248.374 2.672 20 0 BFADLO CC1(C)C[C@@H]1[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000330271782 386843584 /nfs/dbraw/zinc/84/35/84/386843584.db2.gz WNCJETVTBOCFDP-RYUDHWBXSA-N 1 2 248.374 2.814 20 0 BFADLO c1n[nH]c([C@@H]([NH2+]C2CCCC2)C2CCCCC2)n1 ZINC000330271012 386843649 /nfs/dbraw/zinc/84/36/49/386843649.db2.gz VFXBFVJXZFIXBU-ZDUSSCGKSA-N 1 2 248.374 2.958 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2cnn(C)c2)cc[nH+]1 ZINC000301410003 386843783 /nfs/dbraw/zinc/84/37/83/386843783.db2.gz XKJMAFPGIWCWOV-JTQLQIEISA-N 1 2 245.330 2.507 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2)nc1 ZINC000341140405 386845209 /nfs/dbraw/zinc/84/52/09/386845209.db2.gz UYHRWAWDNYWGRC-GFCCVEGCSA-N 1 2 227.311 2.636 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(C)cc2C)n1C ZINC000341157869 386847050 /nfs/dbraw/zinc/84/70/50/386847050.db2.gz XDMMKZOYTHMQPU-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000293619142 386848969 /nfs/dbraw/zinc/84/89/69/386848969.db2.gz QFGXFANHOFUYNZ-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000293619142 386848974 /nfs/dbraw/zinc/84/89/74/386848974.db2.gz QFGXFANHOFUYNZ-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO CC(C)(C)c1nc(NCCOCC2CC2)cc[nH+]1 ZINC000301525986 386850919 /nfs/dbraw/zinc/85/09/19/386850919.db2.gz NFSZLROQEGNVTQ-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccccc2)n1 ZINC000341132403 386854491 /nfs/dbraw/zinc/85/44/91/386854491.db2.gz FOAOKWVOILLLSE-LBPRGKRZSA-N 1 2 227.311 2.636 20 0 BFADLO Cn1ccc(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000334791853 386857541 /nfs/dbraw/zinc/85/75/41/386857541.db2.gz IZOMYRMOVANBCV-UHFFFAOYSA-N 1 2 230.286 2.680 20 0 BFADLO Cn1ccc(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000334791853 386857543 /nfs/dbraw/zinc/85/75/43/386857543.db2.gz IZOMYRMOVANBCV-UHFFFAOYSA-N 1 2 230.286 2.680 20 0 BFADLO Cc1cccc2[nH+]cc(CN3CCC=C(F)C3)n21 ZINC000335742245 386858476 /nfs/dbraw/zinc/85/84/76/386858476.db2.gz ILDHRUCGXDFSBN-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1c(F)cccc1Cl ZINC000293708212 386862995 /nfs/dbraw/zinc/86/29/95/386862995.db2.gz XRFTXMPWNUTHRC-VIFPVBQESA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1c(F)cccc1Cl ZINC000293708212 386863002 /nfs/dbraw/zinc/86/30/02/386863002.db2.gz XRFTXMPWNUTHRC-VIFPVBQESA-N 1 2 243.709 2.700 20 0 BFADLO Cc1nc(Nc2cnn(C(C)C)c2)c(C)c(C)[nH+]1 ZINC000301671013 386866345 /nfs/dbraw/zinc/86/63/45/386866345.db2.gz FKYNQBHEHCYNDM-UHFFFAOYSA-N 1 2 245.330 2.923 20 0 BFADLO Cc1nc(N2C[C@@H]3CCC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000301680936 386867534 /nfs/dbraw/zinc/86/75/34/386867534.db2.gz SUYDUJLHBUFGFQ-BETUJISGSA-N 1 2 231.343 2.638 20 0 BFADLO CNc1ccc(Nc2nc(C)nc(C)c2C)c[nH+]1 ZINC000301687263 386867582 /nfs/dbraw/zinc/86/75/82/386867582.db2.gz MELKADSDCJIMED-UHFFFAOYSA-N 1 2 243.314 2.582 20 0 BFADLO CC[C@@H]1CCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335747378 386868881 /nfs/dbraw/zinc/86/88/81/386868881.db2.gz QKAUQYXSFVYSQR-LLVKDONJSA-N 1 2 233.315 2.715 20 0 BFADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@@H]2C)cn1 ZINC000334833225 386872186 /nfs/dbraw/zinc/87/21/86/386872186.db2.gz VTGPRGVVRFBRSW-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@@H]2C)cn1 ZINC000334833225 386872189 /nfs/dbraw/zinc/87/21/89/386872189.db2.gz VTGPRGVVRFBRSW-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO c1nc(NCC2CC2)cc(NCCC2CCC2)[nH+]1 ZINC000301821818 386882166 /nfs/dbraw/zinc/88/21/66/386882166.db2.gz KIXCEMYMOLZHQP-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO c1nc(NCCC2CCC2)cc(NCC2CC2)[nH+]1 ZINC000301821818 386882175 /nfs/dbraw/zinc/88/21/75/386882175.db2.gz KIXCEMYMOLZHQP-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO CCCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301824582 386882320 /nfs/dbraw/zinc/88/23/20/386882320.db2.gz LWYWJKSFGSDHHS-UHFFFAOYSA-N 1 2 234.347 2.901 20 0 BFADLO CCCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301824582 386882324 /nfs/dbraw/zinc/88/23/24/386882324.db2.gz LWYWJKSFGSDHHS-UHFFFAOYSA-N 1 2 234.347 2.901 20 0 BFADLO CC(C)[C@H](C)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456366066 386884172 /nfs/dbraw/zinc/88/41/72/386884172.db2.gz GSGUNMDTBQYRSC-WOPDTQHZSA-N 1 2 249.358 2.687 20 0 BFADLO C[C@H](C[C@H](O)c1ccco1)Nc1cccc[nH+]1 ZINC000301908534 386889567 /nfs/dbraw/zinc/88/95/67/386889567.db2.gz RJYZCZNBFUKESV-MNOVXSKESA-N 1 2 232.283 2.599 20 0 BFADLO COC(=O)[C@H](C)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000475197634 533203735 /nfs/dbraw/zinc/20/37/35/533203735.db2.gz UMQWOVCNBAJGQI-LBPRGKRZSA-N 1 2 249.354 2.504 20 0 BFADLO C[C@@H]([NH2+]CCF)c1nc(C2CCCCC2)no1 ZINC000330882437 386909235 /nfs/dbraw/zinc/90/92/35/386909235.db2.gz ZWMBHTQMZOVLBF-SECBINFHSA-N 1 2 241.310 2.737 20 0 BFADLO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000330887159 386909371 /nfs/dbraw/zinc/90/93/71/386909371.db2.gz FKWXTSCIAVPLJO-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000330887159 386909376 /nfs/dbraw/zinc/90/93/76/386909376.db2.gz FKWXTSCIAVPLJO-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO c1nc(NCCC2CC2)cc(NCCC2CC2)[nH+]1 ZINC000302329159 386921164 /nfs/dbraw/zinc/92/11/64/386921164.db2.gz ZCMXFGDAXNVPKE-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCC[C@@H]2CCO)cc[nH+]1 ZINC000302448934 386922344 /nfs/dbraw/zinc/92/23/44/386922344.db2.gz OSKVYNJRRAVZGI-VXGBXAGGSA-N 1 2 249.358 2.563 20 0 BFADLO CCC[C@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000341544924 386922793 /nfs/dbraw/zinc/92/27/93/386922793.db2.gz ICPQQORCCNQDJR-LBPRGKRZSA-N 1 2 248.374 2.702 20 0 BFADLO CCC[C@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000341544924 386922800 /nfs/dbraw/zinc/92/28/00/386922800.db2.gz ICPQQORCCNQDJR-LBPRGKRZSA-N 1 2 248.374 2.702 20 0 BFADLO CC1(C)CC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000302343629 386923009 /nfs/dbraw/zinc/92/30/09/386923009.db2.gz ANKKCMJCFHBQIS-LLVKDONJSA-N 1 2 247.342 2.724 20 0 BFADLO CSc1ccc[nH+]c1NCc1ncc(C)o1 ZINC000639294437 386934581 /nfs/dbraw/zinc/93/45/81/386934581.db2.gz KBPDZRDFDMUMJW-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO O=C(CCCC1CCCC1)Nc1cc[nH+]cc1O ZINC000358336489 386936916 /nfs/dbraw/zinc/93/69/16/386936916.db2.gz JQKNVKZCZJWLQO-UHFFFAOYSA-N 1 2 248.326 2.508 20 0 BFADLO O=C(CC1CCCCCC1)Nc1cc[nH+]cc1O ZINC000358351447 386938946 /nfs/dbraw/zinc/93/89/46/386938946.db2.gz KCRWUFFCEUEVDT-UHFFFAOYSA-N 1 2 248.326 2.508 20 0 BFADLO CCC1(CNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302883965 386942972 /nfs/dbraw/zinc/94/29/72/386942972.db2.gz JZNWIMIMQKCALJ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CCC1(CNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302883965 386942975 /nfs/dbraw/zinc/94/29/75/386942975.db2.gz JZNWIMIMQKCALJ-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334817788 386945507 /nfs/dbraw/zinc/94/55/07/386945507.db2.gz JHWJPHZYOVLXHO-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334817788 386945512 /nfs/dbraw/zinc/94/55/12/386945512.db2.gz JHWJPHZYOVLXHO-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334817789 386945810 /nfs/dbraw/zinc/94/58/10/386945810.db2.gz JHWJPHZYOVLXHO-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000334817789 386945814 /nfs/dbraw/zinc/94/58/14/386945814.db2.gz JHWJPHZYOVLXHO-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO CCc1cc(N)nc(SCC2(C)CCC2)[nH+]1 ZINC000332457573 386981748 /nfs/dbraw/zinc/98/17/48/386981748.db2.gz OBRBBPRHLKFRQF-UHFFFAOYSA-N 1 2 237.372 2.734 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1c(C)noc1C ZINC000331193959 386986835 /nfs/dbraw/zinc/98/68/35/386986835.db2.gz WKOBKTLKHJPLCQ-KOLCDFICSA-N 1 2 248.330 2.816 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC[C@@H]1CCCO1 ZINC000331237371 386997026 /nfs/dbraw/zinc/99/70/26/386997026.db2.gz HKLYHNYNVVLWLB-LBPRGKRZSA-N 1 2 248.326 2.596 20 0 BFADLO CC(C)c1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000358969563 387039895 /nfs/dbraw/zinc/03/98/95/387039895.db2.gz SFFRFJWVKKLMML-UHFFFAOYSA-N 1 2 229.327 2.823 20 0 BFADLO Cc1cccc2nc(C[N@@H+]3CC[C@](C)(F)C3)cn21 ZINC000334976355 387063423 /nfs/dbraw/zinc/06/34/23/387063423.db2.gz WGEWBPMDOUFMHQ-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2nc(C[N@H+]3CC[C@](C)(F)C3)cn21 ZINC000334976355 387063426 /nfs/dbraw/zinc/06/34/26/387063426.db2.gz WGEWBPMDOUFMHQ-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000341971776 387010676 /nfs/dbraw/zinc/01/06/76/387010676.db2.gz FLSLTWZPDIUPNX-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000341971776 387010681 /nfs/dbraw/zinc/01/06/81/387010681.db2.gz FLSLTWZPDIUPNX-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)o1 ZINC000353036945 387011776 /nfs/dbraw/zinc/01/17/76/387011776.db2.gz ICVDYAZVRKKKBY-CYBMUJFWSA-N 1 2 245.326 2.562 20 0 BFADLO Cc1ccc(CS[C@@H](C)[C@@H](C)O)c(C)[nH+]1 ZINC000358788040 387013368 /nfs/dbraw/zinc/01/33/68/387013368.db2.gz UZSUYTKANGZBTD-MNOVXSKESA-N 1 2 225.357 2.701 20 0 BFADLO Cc1nc(C2CCC2)nn1Cc1c[nH+]ccc1C ZINC000334939383 387015502 /nfs/dbraw/zinc/01/55/02/387015502.db2.gz HSJSUGAACUNZEF-UHFFFAOYSA-N 1 2 242.326 2.606 20 0 BFADLO C[C@@H](O)C[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228132368 387079178 /nfs/dbraw/zinc/07/91/78/387079178.db2.gz JCKBKMBUWLWTCU-JGVFFNPUSA-N 1 2 248.248 2.672 20 0 BFADLO C[C@H](O)C[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228132375 387079767 /nfs/dbraw/zinc/07/97/67/387079767.db2.gz JCKBKMBUWLWTCU-YUMQZZPRSA-N 1 2 248.248 2.672 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000336259753 387091043 /nfs/dbraw/zinc/09/10/43/387091043.db2.gz RTANNTRWWKLVAR-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000336259753 387091046 /nfs/dbraw/zinc/09/10/46/387091046.db2.gz RTANNTRWWKLVAR-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000336263074 387097625 /nfs/dbraw/zinc/09/76/25/387097625.db2.gz PRASKFLYNLLFKB-VIFPVBQESA-N 1 2 248.223 2.644 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000336263074 387097628 /nfs/dbraw/zinc/09/76/28/387097628.db2.gz PRASKFLYNLLFKB-VIFPVBQESA-N 1 2 248.223 2.644 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000336266681 387099149 /nfs/dbraw/zinc/09/91/49/387099149.db2.gz BSIQSRXGFCNLFR-IUCAKERBSA-N 1 2 225.361 2.502 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@H](C)[C@@H]2C)s1 ZINC000336266681 387099153 /nfs/dbraw/zinc/09/91/53/387099153.db2.gz BSIQSRXGFCNLFR-IUCAKERBSA-N 1 2 225.361 2.502 20 0 BFADLO Cc1cncc(C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000119262967 387112088 /nfs/dbraw/zinc/11/20/88/387112088.db2.gz PKZMZRBBZUNNAO-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1ccc(CSC[C@H](C)CO)c(C)[nH+]1 ZINC000186622720 387115833 /nfs/dbraw/zinc/11/58/33/387115833.db2.gz BIFQHTIFFBWUNA-SECBINFHSA-N 1 2 225.357 2.560 20 0 BFADLO CCC[N@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000069221499 387116659 /nfs/dbraw/zinc/11/66/59/387116659.db2.gz QROMUXHUSOQEMP-UHFFFAOYSA-N 1 2 245.326 2.502 20 0 BFADLO CCC[N@@H+](C)Cc1noc(Cc2ccccc2)n1 ZINC000069221499 387116667 /nfs/dbraw/zinc/11/66/67/387116667.db2.gz QROMUXHUSOQEMP-UHFFFAOYSA-N 1 2 245.326 2.502 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H](CC(C)C)C2)no1 ZINC000119363376 387121455 /nfs/dbraw/zinc/12/14/55/387121455.db2.gz HCAZDAUOHNGOOT-GFCCVEGCSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H](CC(C)C)C2)no1 ZINC000119363376 387121459 /nfs/dbraw/zinc/12/14/59/387121459.db2.gz HCAZDAUOHNGOOT-GFCCVEGCSA-N 1 2 237.347 2.636 20 0 BFADLO CO[C@@H](C)CCNc1[nH+]ccc(C)c1Cl ZINC000336766877 387125914 /nfs/dbraw/zinc/12/59/14/387125914.db2.gz RZOXUNWBXIFTCN-VIFPVBQESA-N 1 2 228.723 2.880 20 0 BFADLO COC(=O)[C@H](C1CC1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000359589848 387129396 /nfs/dbraw/zinc/12/93/96/387129396.db2.gz RSYMASZLEMZPNC-YGRLFVJLSA-N 1 2 245.322 2.515 20 0 BFADLO COC(=O)[C@H](C1CC1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000359589848 387129403 /nfs/dbraw/zinc/12/94/03/387129403.db2.gz RSYMASZLEMZPNC-YGRLFVJLSA-N 1 2 245.322 2.515 20 0 BFADLO CC[C@@H](C)C[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187076602 387156976 /nfs/dbraw/zinc/15/69/76/387156976.db2.gz WRUXOYYAUKJUFT-QLJPJBMISA-N 1 2 239.384 2.993 20 0 BFADLO Fc1cccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000336334558 387160871 /nfs/dbraw/zinc/16/08/71/387160871.db2.gz PSSDLCISWPWITG-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000336334558 387160878 /nfs/dbraw/zinc/16/08/78/387160878.db2.gz PSSDLCISWPWITG-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO F[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000571794149 387171680 /nfs/dbraw/zinc/17/16/80/387171680.db2.gz KMBFDNUTNCIMCH-GHMZBOCLSA-N 1 2 245.301 2.744 20 0 BFADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000119518157 387138565 /nfs/dbraw/zinc/13/85/65/387138565.db2.gz DKPIRLOLDLQCHS-UHFFFAOYSA-N 1 2 221.304 2.652 20 0 BFADLO C/C(=C\c1cccc2[nH+]ccn21)c1cnccn1 ZINC000187647925 387211607 /nfs/dbraw/zinc/21/16/07/387211607.db2.gz VLQBMGTUELXGNB-PKNBQFBNSA-N 1 2 236.278 2.685 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000336402135 387232182 /nfs/dbraw/zinc/23/21/82/387232182.db2.gz ALNCMYXDQOIGEA-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)o1 ZINC000336402135 387232188 /nfs/dbraw/zinc/23/21/88/387232188.db2.gz ALNCMYXDQOIGEA-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO CO[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000371745425 387245067 /nfs/dbraw/zinc/24/50/67/387245067.db2.gz XGIONFHBYHHPPP-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO CO[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000371745426 387245388 /nfs/dbraw/zinc/24/53/88/387245388.db2.gz XGIONFHBYHHPPP-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO CCc1cccc(F)c1C[N@H+](C)Cc1cc[nH]n1 ZINC000353650019 387249212 /nfs/dbraw/zinc/24/92/12/387249212.db2.gz NBWLSIIERYXDTR-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CCc1cccc(F)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000353650019 387249215 /nfs/dbraw/zinc/24/92/15/387249215.db2.gz NBWLSIIERYXDTR-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CCC[C@H](NCC(F)(F)C[NH3+])C1CCCC1 ZINC000423349047 387200549 /nfs/dbraw/zinc/20/05/49/387200549.db2.gz VTJVRYZURYVFQT-NSHDSACASA-N 1 2 234.334 2.529 20 0 BFADLO CCC[C@@H](NCC(F)(F)C[NH3+])C1CCCC1 ZINC000423349046 387201071 /nfs/dbraw/zinc/20/10/71/387201071.db2.gz VTJVRYZURYVFQT-LLVKDONJSA-N 1 2 234.334 2.529 20 0 BFADLO COc1cc(F)cc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000312384711 387278448 /nfs/dbraw/zinc/27/84/48/387278448.db2.gz SNMHULFGZRRUJQ-MRVPVSSYSA-N 1 2 247.260 2.968 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccon1 ZINC000572231725 387283416 /nfs/dbraw/zinc/28/34/16/387283416.db2.gz FUUSXXAURDFTFM-BXKDBHETSA-N 1 2 232.283 2.996 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccon1 ZINC000572231728 387283848 /nfs/dbraw/zinc/28/38/48/387283848.db2.gz FUUSXXAURDFTFM-SKDRFNHKSA-N 1 2 232.283 2.996 20 0 BFADLO CCN(CCc1ccccc1)c1cc[nH+]c(C)n1 ZINC000360531094 387304184 /nfs/dbraw/zinc/30/41/84/387304184.db2.gz SOZZFBBLVUVMBQ-UHFFFAOYSA-N 1 2 241.338 2.854 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000360535261 387305911 /nfs/dbraw/zinc/30/59/11/387305911.db2.gz OIVJVUOBUDFCHA-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO CC[C@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000360535033 387307635 /nfs/dbraw/zinc/30/76/35/387307635.db2.gz NDYQRAKORYDJIQ-CYBMUJFWSA-N 1 2 241.338 2.813 20 0 BFADLO CO[C@H](C)C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000373288738 387355068 /nfs/dbraw/zinc/35/50/68/387355068.db2.gz ZUAAJNAALUNLFD-NXEZZACHSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@H](C)C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000373288738 387355073 /nfs/dbraw/zinc/35/50/73/387355073.db2.gz ZUAAJNAALUNLFD-NXEZZACHSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@@H](C)C[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000373288740 387355277 /nfs/dbraw/zinc/35/52/77/387355277.db2.gz ZUAAJNAALUNLFD-VHSXEESVSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@@H](C)C[N@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000373288740 387355278 /nfs/dbraw/zinc/35/52/78/387355278.db2.gz ZUAAJNAALUNLFD-VHSXEESVSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@@H](C)C[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000373288739 387355640 /nfs/dbraw/zinc/35/56/40/387355640.db2.gz ZUAAJNAALUNLFD-UWVGGRQHSA-N 1 2 242.750 2.553 20 0 BFADLO CO[C@@H](C)C[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000373288739 387355643 /nfs/dbraw/zinc/35/56/43/387355643.db2.gz ZUAAJNAALUNLFD-UWVGGRQHSA-N 1 2 242.750 2.553 20 0 BFADLO Clc1cnc(C[N@@H+]2CCCSCC2)s1 ZINC000336535719 387357062 /nfs/dbraw/zinc/35/70/62/387357062.db2.gz PPCYAGWIFJQYKN-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Clc1cnc(C[N@H+]2CCCSCC2)s1 ZINC000336535719 387357064 /nfs/dbraw/zinc/35/70/64/387357064.db2.gz PPCYAGWIFJQYKN-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)no1 ZINC000336542226 387363543 /nfs/dbraw/zinc/36/35/43/387363543.db2.gz DBWNGZRDKONDCI-PSASIEDQSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)no1 ZINC000336542226 387363546 /nfs/dbraw/zinc/36/35/46/387363546.db2.gz DBWNGZRDKONDCI-PSASIEDQSA-N 1 2 248.248 2.756 20 0 BFADLO C[N@H+](CCCc1ccsc1)CC(F)F ZINC000360904302 387364949 /nfs/dbraw/zinc/36/49/49/387364949.db2.gz QGBYOIHNDWFWEE-UHFFFAOYSA-N 1 2 219.300 2.878 20 0 BFADLO C[N@@H+](CCCc1ccsc1)CC(F)F ZINC000360904302 387364952 /nfs/dbraw/zinc/36/49/52/387364952.db2.gz QGBYOIHNDWFWEE-UHFFFAOYSA-N 1 2 219.300 2.878 20 0 BFADLO Cc1ccc(CSc2cccnn2)c(C)[nH+]1 ZINC000336544656 387365662 /nfs/dbraw/zinc/36/56/62/387365662.db2.gz KVQDBGRKWYBXAW-UHFFFAOYSA-N 1 2 231.324 2.781 20 0 BFADLO CC(C)c1nc(C[NH+]2CCC(C)(C)CC2)no1 ZINC000336555211 387377758 /nfs/dbraw/zinc/37/77/58/387377758.db2.gz CEGZYJULLHRDCF-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000643503325 387381713 /nfs/dbraw/zinc/38/17/13/387381713.db2.gz NXZJSUKVXKJBHI-SECBINFHSA-N 1 2 242.326 2.859 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1ccsc1Cl ZINC000354057671 387321969 /nfs/dbraw/zinc/32/19/69/387321969.db2.gz XZZMIRBGSNUANH-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1ccsc1Cl ZINC000354057671 387321973 /nfs/dbraw/zinc/32/19/73/387321973.db2.gz XZZMIRBGSNUANH-SECBINFHSA-N 1 2 231.748 2.622 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc2ncccc2c1 ZINC000515073854 387331804 /nfs/dbraw/zinc/33/18/04/387331804.db2.gz BEIQTWJMPQZSSH-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO CCC1(C[NH+]=c2[nH]c3c(cccc3F)n2C)CC1 ZINC000354166401 387341153 /nfs/dbraw/zinc/34/11/53/387341153.db2.gz WQSKEQFTTDVTGF-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO CC[NH+](CC)Cc1noc(-c2ccccc2C)n1 ZINC000121342112 387342946 /nfs/dbraw/zinc/34/29/46/387342946.db2.gz CPGKHJVOMNUCKI-UHFFFAOYSA-N 1 2 245.326 2.887 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)n1 ZINC000352587653 387344166 /nfs/dbraw/zinc/34/41/66/387344166.db2.gz CNIASKQZIDMOOE-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)C1CC1 ZINC000121465471 387352970 /nfs/dbraw/zinc/35/29/70/387352970.db2.gz POEYBFZHHMBOHA-JTQLQIEISA-N 1 2 233.315 2.652 20 0 BFADLO CC(C)c1nc(N2C[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC000361275707 387429611 /nfs/dbraw/zinc/42/96/11/387429611.db2.gz QHAUMLXMHSMLTN-PHIMTYICSA-N 1 2 219.332 2.692 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000037978663 387450837 /nfs/dbraw/zinc/45/08/37/387450837.db2.gz PFULTWAQXBNLGO-CQSZACIVSA-N 1 2 249.354 2.591 20 0 BFADLO CCN(CCOC)c1[nH+]ccc2ccc(F)cc21 ZINC000354558431 387393963 /nfs/dbraw/zinc/39/39/63/387393963.db2.gz HGTLKHCCKOGDSK-UHFFFAOYSA-N 1 2 248.301 2.847 20 0 BFADLO CC[C@@H](C)CCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000354561071 387396442 /nfs/dbraw/zinc/39/64/42/387396442.db2.gz MZKOYJPTLAJKBX-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccc(CC)cc1)C(=O)OC ZINC000083381208 387406067 /nfs/dbraw/zinc/40/60/67/387406067.db2.gz SFANFSMITPHJEZ-CQSZACIVSA-N 1 2 249.354 2.680 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000424768246 387409101 /nfs/dbraw/zinc/40/91/01/387409101.db2.gz AEKAEKGUTUIRJM-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccco1 ZINC000304595890 387495212 /nfs/dbraw/zinc/49/52/12/387495212.db2.gz UXZHNKFBWSWXDP-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)n1 ZINC000361601166 387508756 /nfs/dbraw/zinc/50/87/56/387508756.db2.gz FFDPTEWEJPKMIZ-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@]2(C)C(C)C)cc[nH+]1 ZINC000397141920 387543805 /nfs/dbraw/zinc/54/38/05/387543805.db2.gz AZGQIGVJNYIGRY-PWSUYJOCSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ncccn2)cc1 ZINC000361694205 387522475 /nfs/dbraw/zinc/52/24/75/387522475.db2.gz WMVWDDLRXSBHLH-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ncccn2)cc1 ZINC000361694205 387522480 /nfs/dbraw/zinc/52/24/80/387522480.db2.gz WMVWDDLRXSBHLH-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)CC(F)F ZINC000425596138 387525050 /nfs/dbraw/zinc/52/50/50/387525050.db2.gz LTJCYRWSVBMNTB-MRVPVSSYSA-N 1 2 242.269 2.928 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)CC(F)F ZINC000425596139 387525926 /nfs/dbraw/zinc/52/59/26/387525926.db2.gz LTJCYRWSVBMNTB-QMMMGPOBSA-N 1 2 242.269 2.928 20 0 BFADLO CCN(CC)c1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000027899838 387532502 /nfs/dbraw/zinc/53/25/02/387532502.db2.gz XKXQOVNSUKRWGI-UHFFFAOYSA-N 1 2 242.326 2.693 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCC1CCCC1 ZINC000361774577 387533551 /nfs/dbraw/zinc/53/35/51/387533551.db2.gz ZMHKPOYZYXPKJY-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO Fc1ccc(F)c2c1CC[N@H+](CC1(F)CC1)C2 ZINC000527220230 387536856 /nfs/dbraw/zinc/53/68/56/387536856.db2.gz PUSSKWLILGPUJK-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Fc1ccc(F)c2c1CC[N@@H+](CC1(F)CC1)C2 ZINC000527220230 387536860 /nfs/dbraw/zinc/53/68/60/387536860.db2.gz PUSSKWLILGPUJK-UHFFFAOYSA-N 1 2 241.256 2.825 20 0 BFADLO Cn1c[nH+]cc1COc1cccc2cccnc21 ZINC000310654343 387539079 /nfs/dbraw/zinc/53/90/79/387539079.db2.gz ZRDWWAZQAKFIRW-UHFFFAOYSA-N 1 2 239.278 2.547 20 0 BFADLO CCSCC[NH2+]c1ccc2c(c1)CCO2 ZINC000273721572 387462846 /nfs/dbraw/zinc/46/28/46/387462846.db2.gz LVOGPRHLRONXLQ-UHFFFAOYSA-N 1 2 223.341 2.787 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1C[C@H]1c1ccccc1 ZINC000352752553 387471444 /nfs/dbraw/zinc/47/14/44/387471444.db2.gz AVHORXMUBDNFOK-RYUDHWBXSA-N 1 2 225.282 2.987 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1C[C@H]1c1ccccc1 ZINC000352752553 387471450 /nfs/dbraw/zinc/47/14/50/387471450.db2.gz AVHORXMUBDNFOK-RYUDHWBXSA-N 1 2 225.282 2.987 20 0 BFADLO CC(C)CCOCC[N@@H+]1CCC=C(F)C1 ZINC000352780915 387478702 /nfs/dbraw/zinc/47/87/02/387478702.db2.gz WLGCXJOOBCBQQT-UHFFFAOYSA-N 1 2 215.312 2.608 20 0 BFADLO CC(C)CCOCC[N@H+]1CCC=C(F)C1 ZINC000352780915 387478707 /nfs/dbraw/zinc/47/87/07/387478707.db2.gz WLGCXJOOBCBQQT-UHFFFAOYSA-N 1 2 215.312 2.608 20 0 BFADLO COC1(C[N@H+](CC(F)F)C2CC2)CCCC1 ZINC000361562242 387492739 /nfs/dbraw/zinc/49/27/39/387492739.db2.gz AYLQBXWPKZDRAJ-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO COC1(C[N@@H+](CC(F)F)C2CC2)CCCC1 ZINC000361562242 387492743 /nfs/dbraw/zinc/49/27/43/387492743.db2.gz AYLQBXWPKZDRAJ-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO c1cc(C[NH2+][C@H]2CCCCc3ccccc32)[nH]n1 ZINC000041014053 387588508 /nfs/dbraw/zinc/58/85/08/387588508.db2.gz SJTQVCUZECQUIQ-HNNXBMFYSA-N 1 2 241.338 2.967 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)CO2 ZINC000375888484 387590931 /nfs/dbraw/zinc/59/09/31/387590931.db2.gz LQFHTLJNXJXUME-JQWIXIFHSA-N 1 2 243.310 2.502 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(Cl)c(C)c2)C1 ZINC000362308085 387594690 /nfs/dbraw/zinc/59/46/90/387594690.db2.gz FFGQRTAEQAHYGA-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO Fc1ccc(COCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000123861177 387596719 /nfs/dbraw/zinc/59/67/19/387596719.db2.gz XPVZJLIGWYSPMO-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000355975712 387601752 /nfs/dbraw/zinc/60/17/52/387601752.db2.gz XUQLVPDHLSWFLT-PJXYFTJBSA-N 1 2 246.354 2.823 20 0 BFADLO CCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000362394300 387607862 /nfs/dbraw/zinc/60/78/62/387607862.db2.gz CHQMXHPMGIHRCQ-UHFFFAOYSA-N 1 2 206.289 2.827 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000124337389 387613976 /nfs/dbraw/zinc/61/39/76/387613976.db2.gz CBFQHBJTWIYRFX-NSHDSACASA-N 1 2 245.326 2.740 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC2(C)C)cc[nH+]1 ZINC000356103197 387615811 /nfs/dbraw/zinc/61/58/11/387615811.db2.gz ULWVBUQJSJWZDS-GFCCVEGCSA-N 1 2 232.327 2.577 20 0 BFADLO COCC[C@H](Nc1cc(C)[nH+]cn1)c1ccco1 ZINC000355574089 387552363 /nfs/dbraw/zinc/55/23/63/387552363.db2.gz JLNIXQKHFCHVOL-NSHDSACASA-N 1 2 247.298 2.568 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccn(C)c2)CC1(F)F ZINC000426383546 387562652 /nfs/dbraw/zinc/56/26/52/387562652.db2.gz BKJCGBBYGIXNTR-SNVBAGLBSA-N 1 2 228.286 2.502 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)CC1(F)F ZINC000426383546 387562656 /nfs/dbraw/zinc/56/26/56/387562656.db2.gz BKJCGBBYGIXNTR-SNVBAGLBSA-N 1 2 228.286 2.502 20 0 BFADLO CC(C)c1ccsc1C(=O)NCc1[nH]cc[nH+]1 ZINC000114180621 387572730 /nfs/dbraw/zinc/57/27/30/387572730.db2.gz AXGVNEKBZMRZRB-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO c1[nH]cc(-c2ccc(OC3CC3)cc2)[nH+]1 ZINC000527586957 387634768 /nfs/dbraw/zinc/63/47/68/387634768.db2.gz ANTOFLVAWNUXDD-UHFFFAOYSA-N 1 2 200.241 2.618 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OC2CC2)cc1 ZINC000527589900 387636703 /nfs/dbraw/zinc/63/67/03/387636703.db2.gz WUHGQBIEWWFHRX-UHFFFAOYSA-N 1 2 214.268 2.628 20 0 BFADLO c1ccc(N[C@H]2CCc3ccccc3OC2)[nH+]c1 ZINC000376477062 387637329 /nfs/dbraw/zinc/63/73/29/387637329.db2.gz KXTJLUIBYJOMLP-ZDUSSCGKSA-N 1 2 240.306 2.887 20 0 BFADLO c1ccc(N[C@@H]2CCc3ccccc3OC2)[nH+]c1 ZINC000376477061 387638268 /nfs/dbraw/zinc/63/82/68/387638268.db2.gz KXTJLUIBYJOMLP-CYBMUJFWSA-N 1 2 240.306 2.887 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1[nH]ncc1C ZINC000356296064 387641110 /nfs/dbraw/zinc/64/11/10/387641110.db2.gz IEPSCBHOJXCYBW-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1[nH]ncc1C ZINC000356296064 387641115 /nfs/dbraw/zinc/64/11/15/387641115.db2.gz IEPSCBHOJXCYBW-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1n[nH]cc1C ZINC000356296064 387641119 /nfs/dbraw/zinc/64/11/19/387641119.db2.gz IEPSCBHOJXCYBW-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1n[nH]cc1C ZINC000356296064 387641123 /nfs/dbraw/zinc/64/11/23/387641123.db2.gz IEPSCBHOJXCYBW-CQSZACIVSA-N 1 2 244.342 2.696 20 0 BFADLO CCCCC[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431012275 387670289 /nfs/dbraw/zinc/67/02/89/387670289.db2.gz FGZOALKHKICTKP-UHFFFAOYSA-N 1 2 235.306 2.736 20 0 BFADLO CC(C)Cc1ccccc1C[NH2+]Cc1ccn[nH]1 ZINC000527735668 387682178 /nfs/dbraw/zinc/68/21/78/387682178.db2.gz YJGWQYUMCWRWER-UHFFFAOYSA-N 1 2 243.354 2.898 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000440783898 387696529 /nfs/dbraw/zinc/69/65/29/387696529.db2.gz GLSNPYPPACSVSH-MNOVXSKESA-N 1 2 243.347 2.870 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000440783898 387696533 /nfs/dbraw/zinc/69/65/33/387696533.db2.gz GLSNPYPPACSVSH-MNOVXSKESA-N 1 2 243.347 2.870 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1ncccc1F ZINC000527825449 387745307 /nfs/dbraw/zinc/74/53/07/387745307.db2.gz ARVQQUVPBKGJAM-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO COc1ccc[nH+]c1N(C)C1CCCCC1 ZINC000527824562 387746730 /nfs/dbraw/zinc/74/67/30/387746730.db2.gz ZBLBGGVRPVVYNN-UHFFFAOYSA-N 1 2 220.316 2.859 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@@H]2C)c(C)o1 ZINC000528775134 387750589 /nfs/dbraw/zinc/75/05/89/387750589.db2.gz WYHJBAUVNYMLTG-QMMMGPOBSA-N 1 2 244.285 2.911 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)c(C)o1 ZINC000528775134 387750597 /nfs/dbraw/zinc/75/05/97/387750597.db2.gz WYHJBAUVNYMLTG-QMMMGPOBSA-N 1 2 244.285 2.911 20 0 BFADLO CC[C@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431409990 387707945 /nfs/dbraw/zinc/70/79/45/387707945.db2.gz LGJOLQSDIQOHLL-JTQLQIEISA-N 1 2 247.317 2.949 20 0 BFADLO C[C@H]1CC[C@H]([NH+]=c2[nH]c3ccc(F)cc3n2C)C1 ZINC000431422979 387708009 /nfs/dbraw/zinc/70/80/09/387708009.db2.gz RTEMKEBCUOUMNR-ONGXEEELSA-N 1 2 247.317 2.735 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC=C(F)C1 ZINC000431413729 387708372 /nfs/dbraw/zinc/70/83/72/387708372.db2.gz KLTQFIPSNDRDIB-UHFFFAOYSA-N 1 2 249.264 2.776 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)[C@H]1C ZINC000431428210 387708849 /nfs/dbraw/zinc/70/88/49/387708849.db2.gz CLKDDXOBKAFKPI-UWVGGRQHSA-N 1 2 247.317 2.947 20 0 BFADLO Cc1nc(C[NH+]2CCC3(CCCCC3)CC2)no1 ZINC000377303551 387711441 /nfs/dbraw/zinc/71/14/41/387711441.db2.gz JTXDPNMHZCPWEJ-UHFFFAOYSA-N 1 2 249.358 2.924 20 0 BFADLO Fc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000431476317 387711634 /nfs/dbraw/zinc/71/16/34/387711634.db2.gz IGAXABUEMFMWNO-UHFFFAOYSA-N 1 2 233.242 2.679 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H](C3CC3)C2)no1 ZINC000377582701 387729192 /nfs/dbraw/zinc/72/91/92/387729192.db2.gz JXXKCUDQYYDVPO-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H](C3CC3)C2)no1 ZINC000377582701 387729199 /nfs/dbraw/zinc/72/91/99/387729199.db2.gz JXXKCUDQYYDVPO-LBPRGKRZSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000452084295 387732341 /nfs/dbraw/zinc/73/23/41/387732341.db2.gz UVHRCVIDNCJXBC-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCC[C@@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000128187729 387741028 /nfs/dbraw/zinc/74/10/28/387741028.db2.gz CEKNDYUFAXLERR-LBPRGKRZSA-N 1 2 239.388 2.940 20 0 BFADLO CCC[C@@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000128187729 387741032 /nfs/dbraw/zinc/74/10/32/387741032.db2.gz CEKNDYUFAXLERR-LBPRGKRZSA-N 1 2 239.388 2.940 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(C)c2C)n1 ZINC000356898925 387741630 /nfs/dbraw/zinc/74/16/30/387741630.db2.gz VWDVICCGXIVPBQ-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)c1nc(N2C[C@@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000129116428 387762896 /nfs/dbraw/zinc/76/28/96/387762896.db2.gz NYZTYGNTADBARJ-TXEJJXNPSA-N 1 2 231.343 2.836 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](CC(C)C)C1 ZINC000527910684 387764497 /nfs/dbraw/zinc/76/44/97/387764497.db2.gz METMSJPOBVOJDP-LBPRGKRZSA-N 1 2 234.343 2.963 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CC23CC3)c[nH+]1 ZINC000527883733 387771832 /nfs/dbraw/zinc/77/18/32/387771832.db2.gz DMRIHBZVJOAGOW-JQWIXIFHSA-N 1 2 202.301 2.991 20 0 BFADLO c1ccc2[nH+]c(N3CC[C@@H](C4CC4)C3)[nH]c2c1 ZINC000378321368 387777075 /nfs/dbraw/zinc/77/70/75/387777075.db2.gz SUACLFDENQLQRT-LLVKDONJSA-N 1 2 227.311 2.799 20 0 BFADLO CN(c1[nH+]ccc2ccccc21)C1CCOCC1 ZINC000527913578 387785900 /nfs/dbraw/zinc/78/59/00/387785900.db2.gz LIZTZNSVYBQCRI-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](OC)C(C)(C)C ZINC000527913364 387786155 /nfs/dbraw/zinc/78/61/55/387786155.db2.gz TXWNRZOREUIPQL-LLVKDONJSA-N 1 2 238.331 2.563 20 0 BFADLO CN(C[C@H]1CCOC1)c1[nH+]ccc2ccccc21 ZINC000527916232 387787571 /nfs/dbraw/zinc/78/75/71/387787571.db2.gz SHUSCPGFMJBNMB-GFCCVEGCSA-N 1 2 242.322 2.708 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2ncccc21 ZINC000049854493 387787782 /nfs/dbraw/zinc/78/77/82/387787782.db2.gz PSPKJMBLHXKQPF-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@@H](C(C)C)C1 ZINC000527983218 387799719 /nfs/dbraw/zinc/79/97/19/387799719.db2.gz XAIDBLQHFDGABU-GFCCVEGCSA-N 1 2 234.343 2.963 20 0 BFADLO CCCC1(C(=O)Nc2c[nH+]c3n2CCCC3)CC1 ZINC000452331931 387804058 /nfs/dbraw/zinc/80/40/58/387804058.db2.gz GBDFQJZCXJXCNF-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331401 387804637 /nfs/dbraw/zinc/80/46/37/387804637.db2.gz KAYXOBOSCYNCHG-LLVKDONJSA-N 1 2 249.358 2.984 20 0 BFADLO CCc1ccnc(CNc2[nH+]cccc2OC)c1 ZINC000527994721 387805078 /nfs/dbraw/zinc/80/50/78/387805078.db2.gz LWJGRYUZGHBKMR-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CC2=CCCCC2)no1 ZINC000564044543 387810075 /nfs/dbraw/zinc/81/00/75/387810075.db2.gz UOVAFZIBQCGKBG-LBPRGKRZSA-N 1 2 233.315 2.707 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CC2=CCCCC2)no1 ZINC000564044543 387810081 /nfs/dbraw/zinc/81/00/81/387810081.db2.gz UOVAFZIBQCGKBG-LBPRGKRZSA-N 1 2 233.315 2.707 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cncc(C)c2)cs1 ZINC000442688300 387823121 /nfs/dbraw/zinc/82/31/21/387823121.db2.gz OQLWBNLFTGVMFT-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cncc(C)c2)cs1 ZINC000442688300 387823124 /nfs/dbraw/zinc/82/31/24/387823124.db2.gz OQLWBNLFTGVMFT-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO F[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528028085 387831656 /nfs/dbraw/zinc/83/16/56/387831656.db2.gz GMPWHADHUYVLGL-NSHDSACASA-N 1 2 216.259 2.783 20 0 BFADLO CCCc1ncc(CNc2[nH+]cccc2OC)o1 ZINC000528027248 387831772 /nfs/dbraw/zinc/83/17/72/387831772.db2.gz DHZLSGTYLLRSTQ-UHFFFAOYSA-N 1 2 247.298 2.643 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cocn1 ZINC000432924691 387841508 /nfs/dbraw/zinc/84/15/08/387841508.db2.gz NFZZLSREEHDYSA-WCBMZHEXSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cocn1 ZINC000432924691 387841512 /nfs/dbraw/zinc/84/15/12/387841512.db2.gz NFZZLSREEHDYSA-WCBMZHEXSA-N 1 2 248.248 2.837 20 0 BFADLO CC[C@H](NC(=O)[C@H]1C[C@@]1(C)C(C)C)c1[nH]cc[nH+]1 ZINC000442821577 387845852 /nfs/dbraw/zinc/84/58/52/387845852.db2.gz MZYHVDMKPCSWKS-SUNKGSAMSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1cc(F)c(C[NH2+][C@H](C)CF)c(F)c1 ZINC000424166648 387853788 /nfs/dbraw/zinc/85/37/88/387853788.db2.gz CGXPMOCKPCXXID-MRVPVSSYSA-N 1 2 217.234 2.721 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1Cl ZINC000193652927 387857284 /nfs/dbraw/zinc/85/72/84/387857284.db2.gz FQRWRDDSDRJMIL-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1Cl ZINC000193652927 387857290 /nfs/dbraw/zinc/85/72/90/387857290.db2.gz FQRWRDDSDRJMIL-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO CC[C@H](NCc1c[nH+]cn1C(C)C)C(F)F ZINC000424168485 387859029 /nfs/dbraw/zinc/85/90/29/387859029.db2.gz FVRBNAPABRZSLR-JTQLQIEISA-N 1 2 231.290 2.597 20 0 BFADLO CCC(F)(F)C(C)(C)CNc1cc(C)[nH+]cn1 ZINC000528183217 387872428 /nfs/dbraw/zinc/87/24/28/387872428.db2.gz XIEPNNCMVCGHFJ-UHFFFAOYSA-N 1 2 243.301 2.690 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@@H]1CC1(C)C ZINC000424184261 387896903 /nfs/dbraw/zinc/89/69/03/387896903.db2.gz LWYBLJSHYHOSPA-PRJMDXOYSA-N 1 2 209.255 2.961 20 0 BFADLO c1nc(C[NH2+]Cc2nccc3ccccc32)co1 ZINC000236573064 387897074 /nfs/dbraw/zinc/89/70/74/387897074.db2.gz MLJHVQXDSAFEPE-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000424184260 387897162 /nfs/dbraw/zinc/89/71/62/387897162.db2.gz LWYBLJSHYHOSPA-GJMOJQLCSA-N 1 2 209.255 2.961 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1CC1(C)C ZINC000424184257 387897766 /nfs/dbraw/zinc/89/77/66/387897766.db2.gz LWYBLJSHYHOSPA-BWZBUEFSSA-N 1 2 209.255 2.961 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528352844 387905810 /nfs/dbraw/zinc/90/58/10/387905810.db2.gz FTKZGHXCHDFUBU-VQNWOSHQSA-N 1 2 239.750 2.732 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000528352844 387905813 /nfs/dbraw/zinc/90/58/13/387905813.db2.gz FTKZGHXCHDFUBU-VQNWOSHQSA-N 1 2 239.750 2.732 20 0 BFADLO C[N@@H+](Cc1cscn1)CC1=CCCC1 ZINC000645781154 387907032 /nfs/dbraw/zinc/90/70/32/387907032.db2.gz GOXXCIBSYZKLLK-UHFFFAOYSA-N 1 2 208.330 2.685 20 0 BFADLO C[N@H+](Cc1cscn1)CC1=CCCC1 ZINC000645781154 387907036 /nfs/dbraw/zinc/90/70/36/387907036.db2.gz GOXXCIBSYZKLLK-UHFFFAOYSA-N 1 2 208.330 2.685 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ncccc1Cl ZINC000528359706 387911671 /nfs/dbraw/zinc/91/16/71/387911671.db2.gz RZLOJWMDEINEHW-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ncccc1Cl ZINC000528359706 387911674 /nfs/dbraw/zinc/91/16/74/387911674.db2.gz RZLOJWMDEINEHW-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO FC(F)C[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000645800786 387939606 /nfs/dbraw/zinc/93/96/06/387939606.db2.gz WESFAYOAEYPZOU-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000645800786 387939611 /nfs/dbraw/zinc/93/96/11/387939611.db2.gz WESFAYOAEYPZOU-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)C)C(=O)OC ZINC000106032106 387941982 /nfs/dbraw/zinc/94/19/82/387941982.db2.gz KYBUXCKKRPXFJF-KGLIPLIRSA-N 1 2 249.354 2.925 20 0 BFADLO C[C@H]1C[N@H+](CC2=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000645811033 387962857 /nfs/dbraw/zinc/96/28/57/387962857.db2.gz RXDSWVXNKKRPJU-ONGXEEELSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1C[N@@H+](CC2=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000645811033 387962859 /nfs/dbraw/zinc/96/28/59/387962859.db2.gz RXDSWVXNKKRPJU-ONGXEEELSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2)[C@@H](C)CO1 ZINC000245543353 387957548 /nfs/dbraw/zinc/95/75/48/387957548.db2.gz QTHRLQCPPLPHCT-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2)[C@@H](C)CO1 ZINC000245543353 387957550 /nfs/dbraw/zinc/95/75/50/387957550.db2.gz QTHRLQCPPLPHCT-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO CC[C@@H](C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000453061948 387977029 /nfs/dbraw/zinc/97/70/29/387977029.db2.gz UBMGZEOCSCQPAV-PWSUYJOCSA-N 1 2 236.363 2.814 20 0 BFADLO Cc1cccn2cc(CSc3ncco3)[nH+]c12 ZINC000446066093 387990232 /nfs/dbraw/zinc/99/02/32/387990232.db2.gz HXIHOVHOJKUPOV-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cnccn1)c1nccs1 ZINC000080260141 387985099 /nfs/dbraw/zinc/98/50/99/387985099.db2.gz BXAPTQAPGUCOQU-VHSXEESVSA-N 1 2 248.355 2.735 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cnccn1)c1nccs1 ZINC000080260148 387985490 /nfs/dbraw/zinc/98/54/90/387985490.db2.gz BXAPTQAPGUCOQU-NXEZZACHSA-N 1 2 248.355 2.735 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccncn1 ZINC000423215974 387998346 /nfs/dbraw/zinc/99/83/46/387998346.db2.gz NWCVVHFZSTXSJX-SNVBAGLBSA-N 1 2 240.310 2.618 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)O1 ZINC000423218950 387999962 /nfs/dbraw/zinc/99/99/62/387999962.db2.gz SPYXMZAYSMBXMF-ISTVAULSSA-N 1 2 232.327 2.632 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(F)cc1Cl ZINC000439544841 388009194 /nfs/dbraw/zinc/00/91/94/388009194.db2.gz DIDKNUMRLGRZLA-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO CC(C)[C@H](N[C@@H]1CCn2cc[nH+]c21)C(F)(F)F ZINC000453225185 388014540 /nfs/dbraw/zinc/01/45/40/388014540.db2.gz QHNGKERTVIRYRI-BDAKNGLRSA-N 1 2 247.264 2.504 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000448622923 388020229 /nfs/dbraw/zinc/02/02/29/388020229.db2.gz BIYFOCWMISJDPZ-MWLCHTKSSA-N 1 2 243.310 2.856 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)N[C@@H](C)C(C)(F)F ZINC000453302569 388039432 /nfs/dbraw/zinc/03/94/32/388039432.db2.gz ZZPBOYMHFYLZDT-BDAKNGLRSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccc(NC(=O)NC[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000447191728 388056383 /nfs/dbraw/zinc/05/63/83/388056383.db2.gz HMSHUWIHKRKRCJ-NSHDSACASA-N 1 2 247.342 2.866 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000645897889 388067109 /nfs/dbraw/zinc/06/71/09/388067109.db2.gz BBABIOVIDGKXEA-VXGBXAGGSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000645897889 388067114 /nfs/dbraw/zinc/06/71/14/388067114.db2.gz BBABIOVIDGKXEA-VXGBXAGGSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccoc2C)on1 ZINC000055054077 388074039 /nfs/dbraw/zinc/07/40/39/388074039.db2.gz GMZBLXMGIYHMRN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccoc2C)on1 ZINC000055054077 388074042 /nfs/dbraw/zinc/07/40/42/388074042.db2.gz GMZBLXMGIYHMRN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC[C@H](C)O ZINC000086016310 388099329 /nfs/dbraw/zinc/09/93/29/388099329.db2.gz WRJQRBNBNBJJCP-NSHDSACASA-N 1 2 230.311 2.726 20 0 BFADLO Oc1cccc(C[N@H+]2CC=CCC2)c1Cl ZINC000646154156 388157178 /nfs/dbraw/zinc/15/71/78/388157178.db2.gz DTQXCPKSUHIBBP-UHFFFAOYSA-N 1 2 223.703 2.808 20 0 BFADLO Oc1cccc(C[N@@H+]2CC=CCC2)c1Cl ZINC000646154156 388157180 /nfs/dbraw/zinc/15/71/80/388157180.db2.gz DTQXCPKSUHIBBP-UHFFFAOYSA-N 1 2 223.703 2.808 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC[C@@H](C)F ZINC000455442260 388160333 /nfs/dbraw/zinc/16/03/33/388160333.db2.gz PEOADQKEBUTRQX-SECBINFHSA-N 1 2 239.294 2.568 20 0 BFADLO CC[C@@H]1CC[C@H](C)[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000449270201 388164925 /nfs/dbraw/zinc/16/49/25/388164925.db2.gz IVQRHXLYLMJFDN-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000449270201 388164927 /nfs/dbraw/zinc/16/49/27/388164927.db2.gz IVQRHXLYLMJFDN-WDEREUQCSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1cc(NC(=O)C2(C3CCC3)CCC2)cc[nH+]1 ZINC000455649787 388165855 /nfs/dbraw/zinc/16/58/55/388165855.db2.gz ZVZNYCRPDPGOPX-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO Cc1cc(F)ccc1C[NH2+]C(CF)CF ZINC000449379525 388188317 /nfs/dbraw/zinc/18/83/17/388188317.db2.gz IWYUIBBOHAQLAW-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000449353054 388179773 /nfs/dbraw/zinc/17/97/73/388179773.db2.gz ZUQPIWHTIKLKEC-HZMBPMFUSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000449353054 388179774 /nfs/dbraw/zinc/17/97/74/388179774.db2.gz ZUQPIWHTIKLKEC-HZMBPMFUSA-N 1 2 247.338 2.766 20 0 BFADLO CC(C)C1CC([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000488469018 388181232 /nfs/dbraw/zinc/18/12/32/388181232.db2.gz YTWAHQQSFMPLAL-VOMCLLRMSA-N 1 2 241.375 2.741 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccc1OC)C(F)F ZINC000449364177 388182344 /nfs/dbraw/zinc/18/23/44/388182344.db2.gz RHDLKKUMGRZGLS-JTQLQIEISA-N 1 2 229.270 2.829 20 0 BFADLO CC[C@H]([NH2+]Cc1scnc1C)C(F)F ZINC000449362591 388182548 /nfs/dbraw/zinc/18/25/48/388182548.db2.gz NJYAMCVNUQZTJS-ZETCQYMHSA-N 1 2 220.288 2.585 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C)cn1)C(F)F ZINC000449366545 388182830 /nfs/dbraw/zinc/18/28/30/388182830.db2.gz YWUJZCJVSRZZHK-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(COC)cc1)C(F)F ZINC000449366241 388183196 /nfs/dbraw/zinc/18/31/96/388183196.db2.gz YFKRFHWJLGEHEW-GFCCVEGCSA-N 1 2 243.297 2.966 20 0 BFADLO CC[C@@H]([NH2+]Cc1sc(C)nc1C)C(F)F ZINC000449364801 388183691 /nfs/dbraw/zinc/18/36/91/388183691.db2.gz UFFNVBUGXBAPRA-MRVPVSSYSA-N 1 2 234.315 2.893 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000449382253 388188627 /nfs/dbraw/zinc/18/86/27/388188627.db2.gz WBRVQCIWDMOPOZ-UHFFFAOYSA-N 1 2 237.652 2.876 20 0 BFADLO Cc1cccc(C2([NH2+]Cc3ccn[nH]3)CCC2)c1 ZINC000646022437 388126236 /nfs/dbraw/zinc/12/62/36/388126236.db2.gz DSFAFFUGEXKBEM-UHFFFAOYSA-N 1 2 241.338 2.887 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2cc[nH]n2)CCC1 ZINC000646023803 388126444 /nfs/dbraw/zinc/12/64/44/388126444.db2.gz AYBALYPBXATBIJ-UHFFFAOYSA-N 1 2 245.301 2.718 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388836 388192117 /nfs/dbraw/zinc/19/21/17/388192117.db2.gz QKRZYMLCKAPVGW-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388836 388192120 /nfs/dbraw/zinc/19/21/20/388192120.db2.gz QKRZYMLCKAPVGW-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO F[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000449393543 388192698 /nfs/dbraw/zinc/19/26/98/388192698.db2.gz MAJMARFWRBFXPV-ZETCQYMHSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000449393543 388192700 /nfs/dbraw/zinc/19/27/00/388192700.db2.gz MAJMARFWRBFXPV-ZETCQYMHSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000449394633 388192843 /nfs/dbraw/zinc/19/28/43/388192843.db2.gz OFKSDACWUUTVIF-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000449394633 388192845 /nfs/dbraw/zinc/19/28/45/388192845.db2.gz OFKSDACWUUTVIF-QMMMGPOBSA-N 1 2 219.712 2.945 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CCCCC1 ZINC000456356215 388196125 /nfs/dbraw/zinc/19/61/25/388196125.db2.gz RCMKWXXGYDLGKU-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC000456370698 388197666 /nfs/dbraw/zinc/19/76/66/388197666.db2.gz YDKRQXDBLLMHFJ-JTQLQIEISA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)CC ZINC000456409493 388200178 /nfs/dbraw/zinc/20/01/78/388200178.db2.gz ZWLNLXHCCMOIQG-SNVBAGLBSA-N 1 2 237.347 2.516 20 0 BFADLO CC[N@H+](Cc1ccc(SC)s1)C1COC1 ZINC000449423132 388202371 /nfs/dbraw/zinc/20/23/71/388202371.db2.gz GMIRJJPDOYHURZ-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO CC[N@@H+](Cc1ccc(SC)s1)C1COC1 ZINC000449423132 388202373 /nfs/dbraw/zinc/20/23/73/388202373.db2.gz GMIRJJPDOYHURZ-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO CC[C@H]1CCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000489055162 388203621 /nfs/dbraw/zinc/20/36/21/388203621.db2.gz CDXFLKMMGJOUFX-NSHDSACASA-N 1 2 219.332 2.897 20 0 BFADLO Cc1cc(C)c(CNC(=O)CCC2CCC2)c[nH+]1 ZINC000456849064 388227642 /nfs/dbraw/zinc/22/76/42/388227642.db2.gz VMUPMTBLCDHWRE-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@H]2CCCC(C)(C)C2)c[nH+]1 ZINC000456877151 388230375 /nfs/dbraw/zinc/23/03/75/388230375.db2.gz BCLRWRYBWGCKSZ-NSHDSACASA-N 1 2 249.358 2.664 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cnc(CC)o2)o1 ZINC000449611911 388243507 /nfs/dbraw/zinc/24/35/07/388243507.db2.gz ZJWVVIZLEKOEJW-UHFFFAOYSA-N 1 2 234.299 2.682 20 0 BFADLO C/C=C/C=C\C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000491448230 388295313 /nfs/dbraw/zinc/29/53/13/388295313.db2.gz IMGLPIYEJLNHCN-ICWBMWKASA-N 1 2 241.294 2.714 20 0 BFADLO Cc1cc(C)c(NC(=O)/C=C\C2CC2)c(C)[nH+]1 ZINC000491933479 388328396 /nfs/dbraw/zinc/32/83/96/388328396.db2.gz BXFBORCWCCMMTB-SREVYHEPSA-N 1 2 230.311 2.912 20 0 BFADLO CCCCN(CC)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492301192 388340938 /nfs/dbraw/zinc/34/09/38/388340938.db2.gz TVWFBCRGAOGNAI-HJWRWDBZSA-N 1 2 249.358 2.565 20 0 BFADLO COCCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000193522441 388365529 /nfs/dbraw/zinc/36/55/29/388365529.db2.gz AAGGAIMYAJQFDR-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO CC[C@](C)(NCCCn1cc[nH+]c1)C(F)(F)F ZINC000572746509 388371629 /nfs/dbraw/zinc/37/16/29/388371629.db2.gz CAXFUHDRTQYZHX-JTQLQIEISA-N 1 2 249.280 2.594 20 0 BFADLO Cc1cc(C[NH2+][C@H]2COc3ccc(C)cc32)no1 ZINC000572818573 388378641 /nfs/dbraw/zinc/37/86/41/388378641.db2.gz ZOGKBGWIGPXASS-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO CCc1cnc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000524754922 388406539 /nfs/dbraw/zinc/40/65/39/388406539.db2.gz AKCPALPFJGVJGD-AOOOYVTPSA-N 1 2 240.372 2.563 20 0 BFADLO CCc1cnc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)o1 ZINC000524754922 388406541 /nfs/dbraw/zinc/40/65/41/388406541.db2.gz AKCPALPFJGVJGD-AOOOYVTPSA-N 1 2 240.372 2.563 20 0 BFADLO CC(C)CC[N@H+](C)[C@H](C)c1csnn1 ZINC000649252006 388470399 /nfs/dbraw/zinc/47/03/99/388470399.db2.gz WKHZYEJLTGWPKO-SECBINFHSA-N 1 2 213.350 2.577 20 0 BFADLO CC(C)CC[N@@H+](C)[C@H](C)c1csnn1 ZINC000649252006 388470401 /nfs/dbraw/zinc/47/04/01/388470401.db2.gz WKHZYEJLTGWPKO-SECBINFHSA-N 1 2 213.350 2.577 20 0 BFADLO CC[C@@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000242611555 388471423 /nfs/dbraw/zinc/47/14/23/388471423.db2.gz CMJRFHKTCWBSTK-GFCCVEGCSA-N 1 2 246.358 2.820 20 0 BFADLO CC[C@@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000242611555 388471425 /nfs/dbraw/zinc/47/14/25/388471425.db2.gz CMJRFHKTCWBSTK-GFCCVEGCSA-N 1 2 246.358 2.820 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1cccc(F)c1 ZINC000195513792 388474830 /nfs/dbraw/zinc/47/48/30/388474830.db2.gz WNVMOZXJIDSALC-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000195513792 388474836 /nfs/dbraw/zinc/47/48/36/388474836.db2.gz WNVMOZXJIDSALC-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1cc[nH+]c1CN(C)Cc1cccc(F)c1 ZINC000195513792 388474839 /nfs/dbraw/zinc/47/48/39/388474839.db2.gz WNVMOZXJIDSALC-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO Cc1nc(NCCc2[nH+]cccc2C)sc1C ZINC000404679392 388428702 /nfs/dbraw/zinc/42/87/02/388428702.db2.gz GKQJBEKSAKJQIK-UHFFFAOYSA-N 1 2 247.367 2.540 20 0 BFADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1 ZINC000393403149 388428951 /nfs/dbraw/zinc/42/89/51/388428951.db2.gz GWOMUTYECZJSJJ-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO CCc1nocc1C[N@H+](C)C/C=C(/C)Cl ZINC000528512857 388538718 /nfs/dbraw/zinc/53/87/18/388538718.db2.gz ODSJBFJVCBBKEV-UITAMQMPSA-N 1 2 228.723 2.811 20 0 BFADLO CCc1nocc1C[N@@H+](C)C/C=C(/C)Cl ZINC000528512857 388538720 /nfs/dbraw/zinc/53/87/20/388538720.db2.gz ODSJBFJVCBBKEV-UITAMQMPSA-N 1 2 228.723 2.811 20 0 BFADLO C/C(Cl)=C/C[N@@H+](C)Cc1ccccn1 ZINC000528517458 388541496 /nfs/dbraw/zinc/54/14/96/388541496.db2.gz INAHZECSEDXLDC-POHAHGRESA-N 1 2 210.708 2.656 20 0 BFADLO C/C(Cl)=C/C[N@H+](C)Cc1ccccn1 ZINC000528517458 388541498 /nfs/dbraw/zinc/54/14/98/388541498.db2.gz INAHZECSEDXLDC-POHAHGRESA-N 1 2 210.708 2.656 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC(=O)CC12CCC2 ZINC000528521345 388542817 /nfs/dbraw/zinc/54/28/17/388542817.db2.gz HBGRTOCDMAUWAJ-KMKOMSMNSA-N 1 2 227.735 2.717 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC(=O)CC12CCC2 ZINC000528521345 388542818 /nfs/dbraw/zinc/54/28/18/388542818.db2.gz HBGRTOCDMAUWAJ-KMKOMSMNSA-N 1 2 227.735 2.717 20 0 BFADLO C[C@H](c1cccnc1)[N@H+](C)Cc1cscn1 ZINC000194421969 388490353 /nfs/dbraw/zinc/49/03/53/388490353.db2.gz SEUIDKLSGPBRBT-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1cscn1 ZINC000194421969 388490356 /nfs/dbraw/zinc/49/03/56/388490356.db2.gz SEUIDKLSGPBRBT-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO Cc1ncc(C[NH2+]Cc2cccc(C)c2F)o1 ZINC000397877371 388508240 /nfs/dbraw/zinc/50/82/40/388508240.db2.gz KLZLFGIZCCYAMS-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097843 388512218 /nfs/dbraw/zinc/51/22/18/388512218.db2.gz FGMRQDVDACCAPH-AEJSXWLSSA-N 1 2 223.320 2.737 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000548097843 388512221 /nfs/dbraw/zinc/51/22/21/388512221.db2.gz FGMRQDVDACCAPH-AEJSXWLSSA-N 1 2 223.320 2.737 20 0 BFADLO Cc1nc(N[C@@H]2CCCC2(C)C)cc[nH+]1 ZINC000086831400 388512536 /nfs/dbraw/zinc/51/25/36/388512536.db2.gz OVQMPZBVBXDPSF-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)c1ccco1 ZINC000528464749 388530296 /nfs/dbraw/zinc/53/02/96/388530296.db2.gz FNLUSWLTLPXESO-JTQLQIEISA-N 1 2 244.294 2.537 20 0 BFADLO CC(C)COCCCNc1cccc[nH+]1 ZINC000219040456 388587953 /nfs/dbraw/zinc/58/79/53/388587953.db2.gz ODEOYGOMVQFKLD-UHFFFAOYSA-N 1 2 208.305 2.556 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccnn1CC(C)C ZINC000623678940 388614590 /nfs/dbraw/zinc/61/45/90/388614590.db2.gz BWCBXYJCCRIYFI-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO COc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1O ZINC000550871267 388616060 /nfs/dbraw/zinc/61/60/60/388616060.db2.gz PJTZTOWONNGEKF-QMMMGPOBSA-N 1 2 245.269 2.707 20 0 BFADLO Cc1cc(C[N@H+]2CCC(F)(F)C[C@H]2C)no1 ZINC000528771764 388570378 /nfs/dbraw/zinc/57/03/78/388570378.db2.gz YLGUUJUPHKYLFK-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)no1 ZINC000528771764 388570379 /nfs/dbraw/zinc/57/03/79/388570379.db2.gz YLGUUJUPHKYLFK-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(F)F)CC2 ZINC000550883240 388616756 /nfs/dbraw/zinc/61/67/56/388616756.db2.gz WUPZCGXFLTZJEX-LBPRGKRZSA-N 1 2 241.281 2.927 20 0 BFADLO CSCc1cnc(C[NH+]2[C@@H](C)C[C@@H]2C)s1 ZINC000552214890 388682301 /nfs/dbraw/zinc/68/23/01/388682301.db2.gz SQHVJIGJZZXTMP-IUCAKERBSA-N 1 2 242.413 2.989 20 0 BFADLO Cc1cccc(NC(=O)CCCn2cc[nH+]c2)c1 ZINC000620409413 388646558 /nfs/dbraw/zinc/64/65/58/388646558.db2.gz DTPVRXPCUIKLBR-UHFFFAOYSA-N 1 2 243.310 2.610 20 0 BFADLO Cc1ccccc1NC(=O)CCCn1cc[nH+]c1 ZINC000620409461 388646590 /nfs/dbraw/zinc/64/65/90/388646590.db2.gz XNFYULPGIXPDDF-UHFFFAOYSA-N 1 2 243.310 2.610 20 0 BFADLO Cc1cc(Cl)cc(CNc2c[nH]c[nH+]2)c1 ZINC000552029151 388662434 /nfs/dbraw/zinc/66/24/34/388662434.db2.gz KVUDQASKUQWMFE-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO CCc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000553202328 388752309 /nfs/dbraw/zinc/75/23/09/388752309.db2.gz PACAULSDRMKPQZ-UHFFFAOYSA-N 1 2 246.354 2.529 20 0 BFADLO CCC[C@H](C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000552557986 388725519 /nfs/dbraw/zinc/72/55/19/388725519.db2.gz USHAXQNJZOTBBY-MNOVXSKESA-N 1 2 237.347 2.659 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000226721029 388727674 /nfs/dbraw/zinc/72/76/74/388727674.db2.gz FKMJTXARGJTMAF-FPMFFAJLSA-N 1 2 247.338 2.536 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cscn2)s1 ZINC000127876200 388732595 /nfs/dbraw/zinc/73/25/95/388732595.db2.gz XCECDZTYZFFDEB-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)[nH]1 ZINC000540147358 388796389 /nfs/dbraw/zinc/79/63/89/388796389.db2.gz RMLZPNSSEMEPIM-VHSXEESVSA-N 1 2 248.330 2.933 20 0 BFADLO C[N@H+](Cc1ccc(O)cn1)Cc1ccccc1F ZINC000096006923 388802814 /nfs/dbraw/zinc/80/28/14/388802814.db2.gz SVWDYAMMWMXAII-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1ccc(O)cn1)Cc1ccccc1F ZINC000096006923 388802819 /nfs/dbraw/zinc/80/28/19/388802819.db2.gz SVWDYAMMWMXAII-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000362374676 177708880 /nfs/dbraw/zinc/70/88/80/177708880.db2.gz XUIJCSOZEQQSCU-NEPJUHHUSA-N 1 2 231.343 2.541 20 0 BFADLO CC(C)CSCCNc1cccc[nH+]1 ZINC000270053192 388788488 /nfs/dbraw/zinc/78/84/88/388788488.db2.gz CRPVICDCYJRXLO-UHFFFAOYSA-N 1 2 210.346 2.883 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccno2)o1 ZINC000231884786 388844140 /nfs/dbraw/zinc/84/41/40/388844140.db2.gz FQNLNVQJXKPSNZ-BXKDBHETSA-N 1 2 232.283 2.681 20 0 BFADLO Clc1cccc(C2C[NH+](Cc3cn[nH]c3)C2)c1 ZINC000648771012 388859428 /nfs/dbraw/zinc/85/94/28/388859428.db2.gz LEJINJSFEVMVAY-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000541688903 388864084 /nfs/dbraw/zinc/86/40/84/388864084.db2.gz CPCLCLLRYNPBJS-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc(NC(=O)C23CCC(CC2)C3)c(C)c[nH+]1 ZINC000541292697 388847735 /nfs/dbraw/zinc/84/77/35/388847735.db2.gz PIYCTFJHMFDLRA-UHFFFAOYSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cscn2)cc1F ZINC000070166589 388876672 /nfs/dbraw/zinc/87/66/72/388876672.db2.gz KLXIZEZZTXGTOK-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CC[C@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000129955316 388877783 /nfs/dbraw/zinc/87/77/83/388877783.db2.gz ZHMKOBSFOHVKRF-WDEREUQCSA-N 1 2 205.305 2.776 20 0 BFADLO Fc1ccc2oc(CNc3c[nH]c[nH+]3)cc2c1 ZINC000565571183 388954173 /nfs/dbraw/zinc/95/41/73/388954173.db2.gz JUHIOMVSNNACBL-UHFFFAOYSA-N 1 2 231.230 2.907 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1cscn1 ZINC000293624705 388989808 /nfs/dbraw/zinc/98/98/08/388989808.db2.gz JYNAFBWROCKLJI-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1(C)CCC1)c1ccccc1 ZINC000267754435 389001003 /nfs/dbraw/zinc/00/10/03/389001003.db2.gz YBCQCVICFVSWKX-CYBMUJFWSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000302697404 132265820 /nfs/dbraw/zinc/26/58/20/132265820.db2.gz TXQXVUMJPRDLNQ-GMTAPVOTSA-N 1 2 219.332 2.656 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccnc2)s1 ZINC000273713395 389042818 /nfs/dbraw/zinc/04/28/18/389042818.db2.gz QKKNMQFIEPWVHD-RKDXNWHRSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000266197763 132185148 /nfs/dbraw/zinc/18/51/48/132185148.db2.gz CWDNSJGSWJXGMH-GHMZBOCLSA-N 1 2 231.343 2.979 20 0 BFADLO CC1(C)CN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000267516374 132190022 /nfs/dbraw/zinc/19/00/22/132190022.db2.gz DIPJQXLKTHKHLD-UHFFFAOYSA-N 1 2 249.383 2.686 20 0 BFADLO c1csc([C@H]2CN(c3cccc[nH+]3)CCO2)c1 ZINC000268394984 132192480 /nfs/dbraw/zinc/19/24/80/132192480.db2.gz NPAOAIGXQZOEIG-LLVKDONJSA-N 1 2 246.335 2.721 20 0 BFADLO CC1=CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000270026582 132195794 /nfs/dbraw/zinc/19/57/94/132195794.db2.gz FZVDYOYCQVAVLS-UHFFFAOYSA-N 1 2 215.300 2.510 20 0 BFADLO Cc1nc(N2CC=C(C(C)(C)C)CC2)cc[nH+]1 ZINC000270342072 132196754 /nfs/dbraw/zinc/19/67/54/132196754.db2.gz ZXRBNQBIFXAKSW-UHFFFAOYSA-N 1 2 231.343 2.968 20 0 BFADLO CC(C)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000272202866 132200158 /nfs/dbraw/zinc/20/01/58/132200158.db2.gz BREZXNVMVMLCOS-TXEJJXNPSA-N 1 2 249.358 2.516 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000272134598 132200163 /nfs/dbraw/zinc/20/01/63/132200163.db2.gz KXEUZZSQNAYASQ-RYUDHWBXSA-N 1 2 248.370 2.904 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000272134598 132200165 /nfs/dbraw/zinc/20/01/65/132200165.db2.gz KXEUZZSQNAYASQ-RYUDHWBXSA-N 1 2 248.370 2.904 20 0 BFADLO Cc1nc(N2CC[C@@H](C)C(C)(C)C2)cc[nH+]1 ZINC000273445883 132201718 /nfs/dbraw/zinc/20/17/18/132201718.db2.gz CJPQCHQKHZKUCX-SNVBAGLBSA-N 1 2 219.332 2.657 20 0 BFADLO CC(C)COC1CCN(c2cccc[nH+]2)CC1 ZINC000298793072 132222744 /nfs/dbraw/zinc/22/27/44/132222744.db2.gz MQZFXPVNQPEHKV-UHFFFAOYSA-N 1 2 234.343 2.723 20 0 BFADLO Cc1nc(N2CCC[C@]3(CCSC3)C2)cc[nH+]1 ZINC000336254122 132245480 /nfs/dbraw/zinc/24/54/80/132245480.db2.gz OWUDQNZKPXXLGR-ZDUSSCGKSA-N 1 2 249.383 2.509 20 0 BFADLO Cc1cc(N2CCC[C@H](C(F)(F)F)C2)nc[nH+]1 ZINC000336337776 132246710 /nfs/dbraw/zinc/24/67/10/132246710.db2.gz GMPPDHROKGHOLA-VIFPVBQESA-N 1 2 245.248 2.564 20 0 BFADLO Cc1cc(N2CCCCC2)nc(C(C)C)[nH+]1 ZINC000301072941 132251210 /nfs/dbraw/zinc/25/12/10/132251210.db2.gz WBOKXXVSRXPGLR-UHFFFAOYSA-N 1 2 219.332 2.899 20 0 BFADLO CCCN(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301260765 132252113 /nfs/dbraw/zinc/25/21/13/132252113.db2.gz SFKVYABRPNSLDP-GFCCVEGCSA-N 1 2 248.374 2.559 20 0 BFADLO CCCN(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000301260765 132252114 /nfs/dbraw/zinc/25/21/14/132252114.db2.gz SFKVYABRPNSLDP-GFCCVEGCSA-N 1 2 248.374 2.559 20 0 BFADLO CC1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301300090 132252561 /nfs/dbraw/zinc/25/25/61/132252561.db2.gz UQASOOCGHWQVQT-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CC1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301300090 132252562 /nfs/dbraw/zinc/25/25/62/132252562.db2.gz UQASOOCGHWQVQT-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1cc(N2CCC(C(C)C)CC2)nc[nH+]1 ZINC000301458786 132254124 /nfs/dbraw/zinc/25/41/24/132254124.db2.gz NNWUXEUFUWSSGU-UHFFFAOYSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N2CCS[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301553290 132254908 /nfs/dbraw/zinc/25/49/08/132254908.db2.gz HRALCPYXLXEMSD-NWDGAFQWSA-N 1 2 249.383 2.649 20 0 BFADLO Fc1cccc2c1CN(c1cccc[nH+]1)CC2 ZINC000301911663 132258747 /nfs/dbraw/zinc/25/87/47/132258747.db2.gz BUGCSFJLGXHNNU-UHFFFAOYSA-N 1 2 228.270 2.783 20 0 BFADLO c1cc(N2CCCC3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000302232061 132262324 /nfs/dbraw/zinc/26/23/24/132262324.db2.gz CKQRHUNSUBGSGL-UHFFFAOYSA-N 1 2 229.327 2.734 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000302675759 132265502 /nfs/dbraw/zinc/26/55/02/132265502.db2.gz MQTXQZRKFKJCFV-CKYFFXLPSA-N 1 2 219.332 2.656 20 0 BFADLO C[C@@H]1CCN(c2cccc[nH+]2)CC1(C)C ZINC000353273635 132268516 /nfs/dbraw/zinc/26/85/16/132268516.db2.gz DPZURBAYUXVHKW-LLVKDONJSA-N 1 2 204.317 2.954 20 0 BFADLO Cc1cc(N2C[C@H](C)OC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000356742238 132271856 /nfs/dbraw/zinc/27/18/56/132271856.db2.gz KMLWSRWZTKMRGA-RYUDHWBXSA-N 1 2 249.358 2.522 20 0 BFADLO CC1=CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000359739208 132277749 /nfs/dbraw/zinc/27/77/49/132277749.db2.gz YWTUKCYPSMZVKO-UHFFFAOYSA-N 1 2 243.354 2.820 20 0 BFADLO Cc1cc(N2CCC=C(F)C2)nc(C(C)C)[nH+]1 ZINC000361672122 132280182 /nfs/dbraw/zinc/28/01/82/132280182.db2.gz XFKGZROLATUWMJ-UHFFFAOYSA-N 1 2 235.306 2.972 20 0 BFADLO CC(C)[NH2+]c1ccc2c(c1)CCCN2C ZINC000082710832 132310507 /nfs/dbraw/zinc/31/05/07/132310507.db2.gz MRBLJQIFQYNPJW-UHFFFAOYSA-N 1 2 204.317 2.889 20 0 BFADLO CC(C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000082710832 132310508 /nfs/dbraw/zinc/31/05/08/132310508.db2.gz MRBLJQIFQYNPJW-UHFFFAOYSA-N 1 2 204.317 2.889 20 0 BFADLO CC(C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000082710832 132310509 /nfs/dbraw/zinc/31/05/09/132310509.db2.gz MRBLJQIFQYNPJW-UHFFFAOYSA-N 1 2 204.317 2.889 20 0 BFADLO c1cc(N2CCCCC2)[nH+]cc1NCC1CC1 ZINC000036988687 132343418 /nfs/dbraw/zinc/34/34/18/132343418.db2.gz UVYJBGFQDZVEBP-UHFFFAOYSA-N 1 2 231.343 2.894 20 0 BFADLO Cc1ccc2c(c1)CCCN2Cc1[nH+]ccn1C ZINC000057593479 132366070 /nfs/dbraw/zinc/36/60/70/132366070.db2.gz ASFKKEZWADHJAG-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO COC[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000044477534 322840579 /nfs/dbraw/zinc/84/05/79/322840579.db2.gz HWQFJNYBKVIDCP-LLVKDONJSA-N 1 2 230.311 2.929 20 0 BFADLO Cc1cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)no1 ZINC000334727710 133741904 /nfs/dbraw/zinc/74/19/04/133741904.db2.gz MGVZYMLYSMWJPN-IINYFYTJSA-N 1 2 244.294 2.595 20 0 BFADLO C[C@H]1CC(c2noc(C[NH+](C)C)n2)C[C@H](C)C1 ZINC000335431713 133844451 /nfs/dbraw/zinc/84/44/51/133844451.db2.gz RZHTXOHATOCNAV-NXEZZACHSA-N 1 2 237.347 2.671 20 0 BFADLO C[C@@H]1CN(Cc2[nH+]ccn2C)c2ccccc21 ZINC000335928350 134009308 /nfs/dbraw/zinc/00/93/08/134009308.db2.gz MBQXCKCEHFEXHF-LLVKDONJSA-N 1 2 227.311 2.544 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3cc(C)ccc3C2)no1 ZINC000336087489 134077167 /nfs/dbraw/zinc/07/71/67/134077167.db2.gz XTMFBCJQOKCASV-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C[N@H+]2CCc3cc(C)ccc3C2)no1 ZINC000336087489 134077168 /nfs/dbraw/zinc/07/71/68/134077168.db2.gz XTMFBCJQOKCASV-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)CC1(F)F ZINC000336104936 134084659 /nfs/dbraw/zinc/08/46/59/134084659.db2.gz HEJBUNQWRLUNRC-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)CC1(F)F ZINC000336104936 134084660 /nfs/dbraw/zinc/08/46/60/134084660.db2.gz HEJBUNQWRLUNRC-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000336110017 134085709 /nfs/dbraw/zinc/08/57/09/134085709.db2.gz HVKREMCKUFUHQC-VXGBXAGGSA-N 1 2 248.374 2.693 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)n[nH]1 ZINC000336110017 134085710 /nfs/dbraw/zinc/08/57/10/134085710.db2.gz HVKREMCKUFUHQC-VXGBXAGGSA-N 1 2 248.374 2.693 20 0 BFADLO Cc1cc(C)c(NC(=O)NCC(C)C)c(C)[nH+]1 ZINC000336145171 134101815 /nfs/dbraw/zinc/10/18/15/134101815.db2.gz TZAROTRNHANELO-UHFFFAOYSA-N 1 2 235.331 2.784 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000352214267 134108246 /nfs/dbraw/zinc/10/82/46/134108246.db2.gz YXQKMAPYTLIQLN-LBPRGKRZSA-N 1 2 247.342 2.512 20 0 BFADLO C[C@@]1(F)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000336185015 134121151 /nfs/dbraw/zinc/12/11/51/134121151.db2.gz METJWEKVDZBFJQ-CQSZACIVSA-N 1 2 245.301 2.958 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000336214417 134135997 /nfs/dbraw/zinc/13/59/97/134135997.db2.gz OQVKZOPHHGNBEJ-CQSZACIVSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000336214417 134135998 /nfs/dbraw/zinc/13/59/98/134135998.db2.gz OQVKZOPHHGNBEJ-CQSZACIVSA-N 1 2 247.317 2.887 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc(Cl)cc1F ZINC000085168593 134224705 /nfs/dbraw/zinc/22/47/05/134224705.db2.gz VHNNMUZZJPXTRZ-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1ccc(CC)cc1 ZINC000172825940 134269604 /nfs/dbraw/zinc/26/96/04/134269604.db2.gz KMHINIGMMOIQRW-UHFFFAOYSA-N 1 2 249.354 2.680 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)Cc1csnn1 ZINC000180248550 134328563 /nfs/dbraw/zinc/32/85/63/134328563.db2.gz GFIFJGUIGFXLTF-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)Cc1csnn1 ZINC000180248550 134328564 /nfs/dbraw/zinc/32/85/64/134328564.db2.gz GFIFJGUIGFXLTF-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO CCOCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000181663615 134338204 /nfs/dbraw/zinc/33/82/04/134338204.db2.gz JCOPNDAEFKCERZ-UHFFFAOYSA-N 1 2 247.294 2.659 20 0 BFADLO CC(C)OCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000181660335 134338344 /nfs/dbraw/zinc/33/83/44/134338344.db2.gz ZGMQQJNAIKPTBF-UHFFFAOYSA-N 1 2 246.310 2.676 20 0 BFADLO Cc1ccc(CSCc2ccnn2C)c(C)[nH+]1 ZINC000184833533 134369365 /nfs/dbraw/zinc/36/93/65/134369365.db2.gz ZSIISUIBEYVCHF-UHFFFAOYSA-N 1 2 247.367 2.865 20 0 BFADLO CCCn1cc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000227600939 134388123 /nfs/dbraw/zinc/38/81/23/134388123.db2.gz RAKOXKCBNBQQOE-UHFFFAOYSA-N 1 2 244.342 2.917 20 0 BFADLO Cc1cc(NC[C@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000230696356 134531593 /nfs/dbraw/zinc/53/15/93/134531593.db2.gz RQCSEYMANWWWHH-GXSJLCMTSA-N 1 2 205.305 2.633 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1 ZINC000054459357 134763618 /nfs/dbraw/zinc/76/36/18/134763618.db2.gz VTYYCAHBCXEQPV-SNVBAGLBSA-N 1 2 247.729 2.981 20 0 BFADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000248333002 134995296 /nfs/dbraw/zinc/99/52/96/134995296.db2.gz FNIHCSFVHFZDRJ-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000248333002 134995297 /nfs/dbraw/zinc/99/52/97/134995297.db2.gz FNIHCSFVHFZDRJ-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)[C@H]1C ZINC000248527311 135002627 /nfs/dbraw/zinc/00/26/27/135002627.db2.gz HFFPPTSLVYATDO-HRDYMLBCSA-N 1 2 209.255 2.963 20 0 BFADLO CCC[C@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000076145517 135012569 /nfs/dbraw/zinc/01/25/69/135012569.db2.gz DFKPSRDFGIRCJK-CYBMUJFWSA-N 1 2 237.347 2.780 20 0 BFADLO CCC[C@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000076145517 135012570 /nfs/dbraw/zinc/01/25/70/135012570.db2.gz DFKPSRDFGIRCJK-CYBMUJFWSA-N 1 2 237.347 2.780 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1ccc(C)s1 ZINC000076341981 135027063 /nfs/dbraw/zinc/02/70/63/135027063.db2.gz MKSOVIIWYXGJSO-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1ccc(C)s1 ZINC000076341981 135027065 /nfs/dbraw/zinc/02/70/65/135027065.db2.gz MKSOVIIWYXGJSO-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CC3)n2)[C@H](C)C1 ZINC000077320655 135063175 /nfs/dbraw/zinc/06/31/75/135063175.db2.gz AFYZYLNWEIDKTM-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CC3)n2)[C@H](C)C1 ZINC000077320655 135063176 /nfs/dbraw/zinc/06/31/76/135063176.db2.gz AFYZYLNWEIDKTM-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000252734183 135104793 /nfs/dbraw/zinc/10/47/93/135104793.db2.gz HOIPEJSXYMFQRS-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1 ZINC000252734183 135104794 /nfs/dbraw/zinc/10/47/94/135104794.db2.gz HOIPEJSXYMFQRS-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)[C@H](C)C1 ZINC000078465603 135124844 /nfs/dbraw/zinc/12/48/44/135124844.db2.gz SQQXVYLDLXGXOT-IWSPIJDZSA-N 1 2 209.255 2.963 20 0 BFADLO CCOC(=O)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000255886268 135130734 /nfs/dbraw/zinc/13/07/34/135130734.db2.gz QDXILLBGNOKSMW-RAXLEYEMSA-N 1 2 247.338 2.585 20 0 BFADLO CCOC(=O)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000255886268 135130735 /nfs/dbraw/zinc/13/07/35/135130735.db2.gz QDXILLBGNOKSMW-RAXLEYEMSA-N 1 2 247.338 2.585 20 0 BFADLO c1ccc(NC[C@H]2CCCCS2)[nH+]c1 ZINC000087686158 135165478 /nfs/dbraw/zinc/16/54/78/135165478.db2.gz JHTVGKAREUMQTQ-SNVBAGLBSA-N 1 2 208.330 2.779 20 0 BFADLO Cc1c[nH+]c(CN(C)c2cc(C)ccc2C)n1C ZINC000342780462 135317158 /nfs/dbraw/zinc/31/71/58/135317158.db2.gz PXHLXGGQYJQMJH-UHFFFAOYSA-N 1 2 243.354 2.982 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)nc1 ZINC000334170922 135318214 /nfs/dbraw/zinc/31/82/14/135318214.db2.gz BCFFLQNXSUMARF-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)nc1 ZINC000334170922 135318216 /nfs/dbraw/zinc/31/82/16/135318216.db2.gz BCFFLQNXSUMARF-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1c[nH+]c(CN2CCc3cccc(C)c32)n1C ZINC000342786989 135318585 /nfs/dbraw/zinc/31/85/85/135318585.db2.gz YTISOXUZOHOGHI-UHFFFAOYSA-N 1 2 241.338 2.600 20 0 BFADLO Cc1oncc1NCc1cn2cc(C)ccc2[nH+]1 ZINC000342798250 135321315 /nfs/dbraw/zinc/32/13/15/135321315.db2.gz TUEWECCXPDBUPL-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO C[C@@]1([NH2+]Cc2ccn[nH]2)CCCc2ccccc21 ZINC000334166329 135323723 /nfs/dbraw/zinc/32/37/23/135323723.db2.gz AMLYMSXSYHIYBN-OAHLLOKOSA-N 1 2 241.338 2.751 20 0 BFADLO CC[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000342768009 135326076 /nfs/dbraw/zinc/32/60/76/135326076.db2.gz HRAIELTZOYRSPV-NSHDSACASA-N 1 2 229.327 2.810 20 0 BFADLO Cc1c[nH+]c(CN(C)c2cc(C)cc(C)c2)n1C ZINC000342768213 135326153 /nfs/dbraw/zinc/32/61/53/135326153.db2.gz JMMFSBQKKJTHBP-UHFFFAOYSA-N 1 2 243.354 2.982 20 0 BFADLO CCN(Cc1[nH+]cc(C)n1C)c1ccccc1 ZINC000342767466 135326183 /nfs/dbraw/zinc/32/61/83/135326183.db2.gz CPFWPDSXSUQQCA-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000334335181 135363051 /nfs/dbraw/zinc/36/30/51/135363051.db2.gz ZTIGYQCPRAJBEX-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000334335181 135363052 /nfs/dbraw/zinc/36/30/52/135363052.db2.gz ZTIGYQCPRAJBEX-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Cc1nc(N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc[nH+]1 ZINC000268681199 135364084 /nfs/dbraw/zinc/36/40/84/135364084.db2.gz MIPXFZSJVAOZNJ-NWANDNLSSA-N 1 2 237.306 2.535 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343152975 135366444 /nfs/dbraw/zinc/36/64/44/135366444.db2.gz JFNJHVULIOFCHY-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343152975 135366445 /nfs/dbraw/zinc/36/64/45/135366445.db2.gz JFNJHVULIOFCHY-RYUDHWBXSA-N 1 2 246.358 2.677 20 0 BFADLO Fc1ccccc1C1CN(c2cccc[nH+]2)C1 ZINC000334377610 135377914 /nfs/dbraw/zinc/37/79/14/135377914.db2.gz GHWDJSVPXQYFRA-UHFFFAOYSA-N 1 2 228.270 2.825 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H]1CC1(C)C ZINC000334409625 135391973 /nfs/dbraw/zinc/39/19/73/135391973.db2.gz IYOBFDXIJAZECD-LLVKDONJSA-N 1 2 247.342 2.961 20 0 BFADLO CC(C)n1cc(C[N@H+](C)[C@@H](C)c2ccco2)nn1 ZINC000347659805 136002786 /nfs/dbraw/zinc/00/27/86/136002786.db2.gz XLYRXHNGRSFZBI-NSHDSACASA-N 1 2 248.330 2.645 20 0 BFADLO CC(C)n1cc(C[N@@H+](C)[C@@H](C)c2ccco2)nn1 ZINC000347659805 136002787 /nfs/dbraw/zinc/00/27/87/136002787.db2.gz XLYRXHNGRSFZBI-NSHDSACASA-N 1 2 248.330 2.645 20 0 BFADLO CC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000347737085 136005292 /nfs/dbraw/zinc/00/52/92/136005292.db2.gz LKMMBJSHQHKXNW-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO CC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000347737085 136005293 /nfs/dbraw/zinc/00/52/93/136005293.db2.gz LKMMBJSHQHKXNW-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cc(C)n(C)n2)c(C)o1 ZINC000348093422 136035925 /nfs/dbraw/zinc/03/59/25/136035925.db2.gz CDXPEDAKCRPYNA-NSHDSACASA-N 1 2 247.342 2.789 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncc(C)cn2)c(C)o1 ZINC000348106859 136036979 /nfs/dbraw/zinc/03/69/79/136036979.db2.gz GUXFNZSCPCOCBG-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO FCCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000367053599 136116091 /nfs/dbraw/zinc/11/60/91/136116091.db2.gz GHOKEMCVPPPSLB-GFCCVEGCSA-N 1 2 241.306 2.793 20 0 BFADLO FCCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000367053599 136116092 /nfs/dbraw/zinc/11/60/92/136116092.db2.gz GHOKEMCVPPPSLB-GFCCVEGCSA-N 1 2 241.306 2.793 20 0 BFADLO Cn1c[nH+]cc1CN1CCCc2ccc(F)cc21 ZINC000177011043 397839264 /nfs/dbraw/zinc/83/92/64/397839264.db2.gz CCMSZWIPIHLPLO-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1F ZINC000182067581 397823496 /nfs/dbraw/zinc/82/34/96/397823496.db2.gz PCBZIABRZHQVCP-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000440493493 397928381 /nfs/dbraw/zinc/92/83/81/397928381.db2.gz WZKZBIRLJOBPNF-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@H](F)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000440493493 397928386 /nfs/dbraw/zinc/92/83/86/397928386.db2.gz WZKZBIRLJOBPNF-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000264988471 397930379 /nfs/dbraw/zinc/93/03/79/397930379.db2.gz AYIXJJNQHIGZPP-SNVBAGLBSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000264988471 397930385 /nfs/dbraw/zinc/93/03/85/397930385.db2.gz AYIXJJNQHIGZPP-SNVBAGLBSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1cccc(C[N@@H+]2CCOCC2(C)C)c1F ZINC000449020414 397950319 /nfs/dbraw/zinc/95/03/19/397950319.db2.gz ZBFHXBKVCFOETF-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2CCOCC2(C)C)c1F ZINC000449020414 397950321 /nfs/dbraw/zinc/95/03/21/397950321.db2.gz ZBFHXBKVCFOETF-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO CCCC[C@@H](C)N(C)c1cc(CO)cc[nH+]1 ZINC000390602448 397897161 /nfs/dbraw/zinc/89/71/61/397897161.db2.gz WNPVUVBYNKIQRT-LLVKDONJSA-N 1 2 222.332 2.589 20 0 BFADLO CC[C@@H](C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364837704 397915155 /nfs/dbraw/zinc/91/51/55/397915155.db2.gz HGHSWCMSAICPNO-YPMHNXCESA-N 1 2 244.342 2.530 20 0 BFADLO CC(C)c1nc(NC[C@H](C)C(F)(F)F)cc[nH+]1 ZINC000355791787 397923616 /nfs/dbraw/zinc/92/36/16/397923616.db2.gz XWYDLKAVALKTJJ-QMMMGPOBSA-N 1 2 247.264 2.632 20 0 BFADLO COCC1(C[N@@H+]2CCCC(F)(F)C2)CCC1 ZINC000649696180 398044813 /nfs/dbraw/zinc/04/48/13/398044813.db2.gz XXMVQMVEEPSUMK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO COCC1(C[N@H+]2CCCC(F)(F)C2)CCC1 ZINC000649696180 398044815 /nfs/dbraw/zinc/04/48/15/398044815.db2.gz XXMVQMVEEPSUMK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)CCC[N@H+](CCC2CCOCC2)C1 ZINC000649696199 398044957 /nfs/dbraw/zinc/04/49/57/398044957.db2.gz YYDVKTMIWGQLNM-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)CCC[N@@H+](CCC2CCOCC2)C1 ZINC000649696199 398044961 /nfs/dbraw/zinc/04/49/61/398044961.db2.gz YYDVKTMIWGQLNM-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO Cc1nc(N2CCC3(CCC3)CC2)cc[nH+]1 ZINC000367734654 397996916 /nfs/dbraw/zinc/99/69/16/397996916.db2.gz QVONCHCEEQJJLV-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000373103836 398012421 /nfs/dbraw/zinc/01/24/21/398012421.db2.gz JRBOHTKJXLANAS-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO CCCc1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000373103836 398012422 /nfs/dbraw/zinc/01/24/22/398012422.db2.gz JRBOHTKJXLANAS-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000278582285 398038569 /nfs/dbraw/zinc/03/85/69/398038569.db2.gz KGIXTRYYJRQXTJ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)n1 ZINC000278582285 398038574 /nfs/dbraw/zinc/03/85/74/398038574.db2.gz KGIXTRYYJRQXTJ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO FC1(F)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000649693015 398041315 /nfs/dbraw/zinc/04/13/15/398041315.db2.gz NQSQVKYRPKCLSY-SNVBAGLBSA-N 1 2 201.260 2.826 20 0 BFADLO FC1(F)CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000649693015 398041318 /nfs/dbraw/zinc/04/13/18/398041318.db2.gz NQSQVKYRPKCLSY-SNVBAGLBSA-N 1 2 201.260 2.826 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000271731711 397972034 /nfs/dbraw/zinc/97/20/34/397972034.db2.gz HBDDPJOFXOJNIR-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO FC1(F)CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000649695271 398043051 /nfs/dbraw/zinc/04/30/51/398043051.db2.gz PAYHHCQEOWQZEG-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO FC1(F)CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000649695271 398043053 /nfs/dbraw/zinc/04/30/53/398043053.db2.gz PAYHHCQEOWQZEG-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO CCCC(C)(C)C(=O)Nc1cc[nH+]cc1CC ZINC000649728425 398067075 /nfs/dbraw/zinc/06/70/75/398067075.db2.gz UBKHTPZIRGNSNP-UHFFFAOYSA-N 1 2 234.343 2.831 20 0 BFADLO Cc1ccccc1CC[N@@H+](C)CC(F)F ZINC000649733396 398073863 /nfs/dbraw/zinc/07/38/63/398073863.db2.gz QNZGOOZIXJDAFE-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO Cc1ccccc1CC[N@H+](C)CC(F)F ZINC000649733396 398073866 /nfs/dbraw/zinc/07/38/66/398073866.db2.gz QNZGOOZIXJDAFE-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO Cc1nc(NC[C@](C)(O)C2CCCCC2)cc[nH+]1 ZINC000189578709 398057775 /nfs/dbraw/zinc/05/77/75/398057775.db2.gz BJWMNDUBIRQJEK-AWEZNQCLSA-N 1 2 249.358 2.528 20 0 BFADLO FC1(F)CC12CC[NH+](Cc1cscn1)CC2 ZINC000649777363 398098894 /nfs/dbraw/zinc/09/88/94/398098894.db2.gz NQIGYTNGYCLYSU-UHFFFAOYSA-N 1 2 244.310 2.764 20 0 BFADLO c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc(C2CC2)c1 ZINC000643293639 398127527 /nfs/dbraw/zinc/12/75/27/398127527.db2.gz DMQVCVJZPNUHHZ-LSDHHAIUSA-N 1 2 229.323 2.537 20 0 BFADLO c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc(C2CC2)c1 ZINC000643293639 398127532 /nfs/dbraw/zinc/12/75/32/398127532.db2.gz DMQVCVJZPNUHHZ-LSDHHAIUSA-N 1 2 229.323 2.537 20 0 BFADLO Cc1ccc(Cn2cc(C3CC3)cn2)c(C)[nH+]1 ZINC000650344323 398131932 /nfs/dbraw/zinc/13/19/32/398131932.db2.gz GQHQGHCOYXQXPH-UHFFFAOYSA-N 1 2 227.311 2.821 20 0 BFADLO CCOc1cccc(C[N@H+](C)Cc2ccco2)n1 ZINC000162159780 398132344 /nfs/dbraw/zinc/13/23/44/398132344.db2.gz DPYSKOMXGIURCV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1cccc(C[N@@H+](C)Cc2ccco2)n1 ZINC000162159780 398132347 /nfs/dbraw/zinc/13/23/47/398132347.db2.gz DPYSKOMXGIURCV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO COc1ccc(N[C@H](C)c2cc(C)on2)[nH+]c1 ZINC000685653030 487571301 /nfs/dbraw/zinc/57/13/01/487571301.db2.gz BDXYKKNIFQGSBM-SECBINFHSA-N 1 2 233.271 2.560 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1nccs1 ZINC000090721028 322906983 /nfs/dbraw/zinc/90/69/83/322906983.db2.gz OJJOOBQTVVWWID-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1nccs1 ZINC000090721025 322907171 /nfs/dbraw/zinc/90/71/71/322907171.db2.gz OJJOOBQTVVWWID-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCCc2sccc2C1 ZINC000685836904 487584185 /nfs/dbraw/zinc/58/41/85/487584185.db2.gz IAJYCJVJIVDWIF-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCCc2sccc2C1 ZINC000685836904 487584194 /nfs/dbraw/zinc/58/41/94/487584194.db2.gz IAJYCJVJIVDWIF-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CS[C@@H](C)C1 ZINC000086936384 487593506 /nfs/dbraw/zinc/59/35/06/487593506.db2.gz FYLZDQWJUBDGCP-WPRPVWTQSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1ccnc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000328060689 487599428 /nfs/dbraw/zinc/59/94/28/487599428.db2.gz BIFDMBYSPNJHID-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CC(C)SCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353196177 167325739 /nfs/dbraw/zinc/32/57/39/167325739.db2.gz RTEZQGASESIETI-VIFPVBQESA-N 1 2 223.332 2.858 20 0 BFADLO CC(C)SCC[N@H+]1CCC[C@H]1C(F)F ZINC000353196177 167325741 /nfs/dbraw/zinc/32/57/41/167325741.db2.gz RTEZQGASESIETI-VIFPVBQESA-N 1 2 223.332 2.858 20 0 BFADLO CSc1ccc[nH+]c1NC[C@H]1C[C@@H]1C ZINC000651971360 409944642 /nfs/dbraw/zinc/94/46/42/409944642.db2.gz BMJDNLYJPNHPHD-DTWKUNHWSA-N 1 2 208.330 2.871 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CSC[C@H]1C ZINC000651971908 409946786 /nfs/dbraw/zinc/94/67/86/409946786.db2.gz ZVQWOLJXSHJUON-BDAKNGLRSA-N 1 2 240.397 2.967 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@H](C)C1 ZINC000651979175 410111754 /nfs/dbraw/zinc/11/17/54/410111754.db2.gz AHSLHOMCOZQVJA-PWSUYJOCSA-N 1 2 220.316 2.623 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CCCSC1 ZINC000651979417 410112551 /nfs/dbraw/zinc/11/25/51/410112551.db2.gz QCRQALVMJLIRLD-LLVKDONJSA-N 1 2 222.357 2.952 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CSC[C@@H]1C ZINC000651980008 410115884 /nfs/dbraw/zinc/11/58/84/410115884.db2.gz WJNQLDGHHAGSJI-JOYOIKCWSA-N 1 2 222.357 2.807 20 0 BFADLO C[C@@H](NC(=O)C1CC(C(C)(C)C)C1)c1[nH]cc[nH+]1 ZINC000655401986 410205618 /nfs/dbraw/zinc/20/56/18/410205618.db2.gz QHJPPCNXVFFWEN-KPPDAEKUSA-N 1 2 249.358 2.659 20 0 BFADLO c1cc(N[C@@]23C[C@@H]2CCC3)nc(C2CC2)[nH+]1 ZINC000664161362 410470540 /nfs/dbraw/zinc/47/05/40/410470540.db2.gz NNBPOSOSWGYQGC-GWCFXTLKSA-N 1 2 215.300 2.709 20 0 BFADLO CCc1ncn(Cc2ccc(C(C)C)[nH+]c2C)n1 ZINC000664041084 410442040 /nfs/dbraw/zinc/44/20/40/410442040.db2.gz DRZZFTIWHWFAEV-UHFFFAOYSA-N 1 2 244.342 2.716 20 0 BFADLO Cc1nc(N2CCC[C@@H](C3CCC3)C2)cc[nH+]1 ZINC000664566102 410605137 /nfs/dbraw/zinc/60/51/37/410605137.db2.gz WNYADLBXBOXQEM-CYBMUJFWSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CC[C@H]3C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000664524302 410593933 /nfs/dbraw/zinc/59/39/33/410593933.db2.gz LIFVDXGMMQSNPU-RYUDHWBXSA-N 1 2 229.327 2.509 20 0 BFADLO Cc1nc(N2CCC[C@H](C3CCC3)C2)cc[nH+]1 ZINC000664566106 410604493 /nfs/dbraw/zinc/60/44/93/410604493.db2.gz WNYADLBXBOXQEM-ZDUSSCGKSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N[C@@H]2Cc3ccccc3[C@@H]2C)nc[nH+]1 ZINC000664292569 410551768 /nfs/dbraw/zinc/55/17/68/410551768.db2.gz DYUSDUZCTSTCDN-SMDDNHRTSA-N 1 2 239.322 2.925 20 0 BFADLO COc1cccc(CNc2cc[nH+]c(C)n2)c1C ZINC000664630476 410612809 /nfs/dbraw/zinc/61/28/09/410612809.db2.gz DGBJHZZGKINYGQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC1CCC(C[N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000661405461 410617909 /nfs/dbraw/zinc/61/79/09/410617909.db2.gz DLMXQHHANVKEJH-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC000661405461 410617915 /nfs/dbraw/zinc/61/79/15/410617915.db2.gz DLMXQHHANVKEJH-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)OCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337433142 167232313 /nfs/dbraw/zinc/23/23/13/167232313.db2.gz ZYJMFAFFHQLIGZ-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337433142 167232314 /nfs/dbraw/zinc/23/23/14/167232314.db2.gz ZYJMFAFFHQLIGZ-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)Oc1cccc(NCc2[nH+]ccn2C)c1 ZINC000295099512 167306114 /nfs/dbraw/zinc/30/61/14/167306114.db2.gz UPVGDCSYAGIBNG-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CC(C)SCCNc1cc[nH+]c(C2CC2)n1 ZINC000286513962 167333908 /nfs/dbraw/zinc/33/39/08/167333908.db2.gz TURXASJMHBNJIW-UHFFFAOYSA-N 1 2 237.372 2.908 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000264935301 167371665 /nfs/dbraw/zinc/37/16/65/167371665.db2.gz RBOMWZZOHHAGDS-SNVBAGLBSA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000308502579 167385514 /nfs/dbraw/zinc/38/55/14/167385514.db2.gz HJEBQCLXEPXKQP-VXNVDRBHSA-N 1 2 209.255 2.961 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@@H]1CCCC1(F)F ZINC000651345855 410929038 /nfs/dbraw/zinc/92/90/38/410929038.db2.gz BZNKQIDDVJOFQO-VHSXEESVSA-N 1 2 243.301 2.741 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1=CCCCC1 ZINC000651373003 410957217 /nfs/dbraw/zinc/95/72/17/410957217.db2.gz CNGJINSMVZZTLD-JTQLQIEISA-N 1 2 219.332 2.869 20 0 BFADLO FC1(F)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000651385029 410969009 /nfs/dbraw/zinc/96/90/09/410969009.db2.gz PJEUFWRYKXOVLN-UHFFFAOYSA-N 1 2 249.264 2.865 20 0 BFADLO Cc1ccccc1CN(C)c1cc(CO)cc[nH+]1 ZINC000042436084 411006687 /nfs/dbraw/zinc/00/66/87/411006687.db2.gz ABNXQZZCDWUBPP-UHFFFAOYSA-N 1 2 242.322 2.519 20 0 BFADLO CCN(Cc1cccs1)c1cc(CO)cc[nH+]1 ZINC000042488077 411009544 /nfs/dbraw/zinc/00/95/44/411009544.db2.gz UNLOSSWNXGRQGX-UHFFFAOYSA-N 1 2 248.351 2.662 20 0 BFADLO COc1ccc(C)cc1C[NH2+]Cc1cc(C)on1 ZINC000044692739 411139382 /nfs/dbraw/zinc/13/93/82/411139382.db2.gz KRCXVNGHTSZYEJ-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc2cnccc2o1 ZINC000651817099 411145340 /nfs/dbraw/zinc/14/53/40/411145340.db2.gz YQNYOSJBMCZARE-UHFFFAOYSA-N 1 2 226.226 2.573 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(OC)cc1F)C(F)F ZINC000651818120 411145468 /nfs/dbraw/zinc/14/54/68/411145468.db2.gz LEJFWYIRFACWAR-LLVKDONJSA-N 1 2 247.260 2.968 20 0 BFADLO CC(C)(CC[N@@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000653636803 411153367 /nfs/dbraw/zinc/15/33/67/411153367.db2.gz QWORUGPGHNYOFS-NSHDSACASA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)(CC[N@H+]1C[C@@H](O)CC(F)(F)C1)C1CC1 ZINC000653636803 411153369 /nfs/dbraw/zinc/15/33/69/411153369.db2.gz QWORUGPGHNYOFS-NSHDSACASA-N 1 2 247.329 2.515 20 0 BFADLO CC[C@@H]1CC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652068238 411104726 /nfs/dbraw/zinc/10/47/26/411104726.db2.gz WRDWFDBTJRALCE-VXGBXAGGSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)C2CCC2)c1 ZINC000652068134 411105086 /nfs/dbraw/zinc/10/50/86/411105086.db2.gz SVIFYZQZVSNTCQ-JTQLQIEISA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2ccccn2)c1 ZINC000652068601 411105182 /nfs/dbraw/zinc/10/51/82/411105182.db2.gz IRDMDZOCRHIWDS-LLVKDONJSA-N 1 2 243.310 2.796 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000652076234 411107936 /nfs/dbraw/zinc/10/79/36/411107936.db2.gz VFIQFXRUGLZULV-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000652076234 411107939 /nfs/dbraw/zinc/10/79/39/411107939.db2.gz VFIQFXRUGLZULV-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO C[C@@H]([NH2+]CC(F)F)[C@H]1OCCc2sccc21 ZINC000309394730 411162654 /nfs/dbraw/zinc/16/26/54/411162654.db2.gz GJFNVJFMGLWVDR-RDDDGLTNSA-N 1 2 247.310 2.605 20 0 BFADLO COCC[N@H+](CCC=C(C)C)CC(F)F ZINC000659879643 411177017 /nfs/dbraw/zinc/17/70/17/411177017.db2.gz WQSJSTWDBDHWCT-UHFFFAOYSA-N 1 2 221.291 2.556 20 0 BFADLO COCC[N@@H+](CCC=C(C)C)CC(F)F ZINC000659879643 411177020 /nfs/dbraw/zinc/17/70/20/411177020.db2.gz WQSJSTWDBDHWCT-UHFFFAOYSA-N 1 2 221.291 2.556 20 0 BFADLO CC[C@H](N[C@@H]1CCCn2cc[nH+]c21)C(F)(F)F ZINC000655757051 411187251 /nfs/dbraw/zinc/18/72/51/411187251.db2.gz AEMIYFZQXAVQNK-BDAKNGLRSA-N 1 2 247.264 2.649 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C)C(C)(C)C1 ZINC000656160157 411190364 /nfs/dbraw/zinc/19/03/64/411190364.db2.gz LKXPNLQKXFEOPV-SNVBAGLBSA-N 1 2 249.358 2.666 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@@H](C(C)(C)C)C1 ZINC000656158108 411190670 /nfs/dbraw/zinc/19/06/70/411190670.db2.gz FWLRFSNZGYVUJB-LLVKDONJSA-N 1 2 249.358 2.666 20 0 BFADLO CCOC1CC(CCNc2nc(C)[nH+]cc2C)C1 ZINC000656176153 411193517 /nfs/dbraw/zinc/19/35/17/411193517.db2.gz WMBPLFYMLZYOTE-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCSCC1)C(F)(F)F ZINC000658013931 411198042 /nfs/dbraw/zinc/19/80/42/411198042.db2.gz QMRKFMPWQORQSY-YUMQZZPRSA-N 1 2 227.295 2.813 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1cc(C)cs1 ZINC000656194531 411199540 /nfs/dbraw/zinc/19/95/40/411199540.db2.gz HOARMCKHWREFJA-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2cccnc2)c1 ZINC000652330303 411202446 /nfs/dbraw/zinc/20/24/46/411202446.db2.gz BZWPTBUYRRTABJ-LLVKDONJSA-N 1 2 243.310 2.796 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@H](C1CC1)C1CCC1 ZINC000656198654 411203049 /nfs/dbraw/zinc/20/30/49/411203049.db2.gz BLEXXNPIOITPRC-LBPRGKRZSA-N 1 2 247.342 2.784 20 0 BFADLO c1ccc(N[C@H](C2CC2)[C@H]2CCCCO2)[nH+]c1 ZINC000656208734 411209204 /nfs/dbraw/zinc/20/92/04/411209204.db2.gz SRYRATLURXIOQN-TZMCWYRMSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1cc(N[C@H](C2CC2)[C@H]2CCCCO2)nc[nH+]1 ZINC000656208567 411209679 /nfs/dbraw/zinc/20/96/79/411209679.db2.gz NSLGFFGSVPVWIK-TZMCWYRMSA-N 1 2 247.342 2.545 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1nc(C)no1 ZINC000653888736 411210347 /nfs/dbraw/zinc/21/03/47/411210347.db2.gz FMVQPKOVGMLJPC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1nc(C)no1 ZINC000653888736 411210350 /nfs/dbraw/zinc/21/03/50/411210350.db2.gz FMVQPKOVGMLJPC-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO c1ccc(N2CCC[C@@H](OC3CCC3)C2)[nH+]c1 ZINC000656218298 411212170 /nfs/dbraw/zinc/21/21/70/411212170.db2.gz XRKSWIFDGRLELK-CYBMUJFWSA-N 1 2 232.327 2.620 20 0 BFADLO Cc1cc(NC[C@@H]2CCC3(CCCC3)O2)nc[nH+]1 ZINC000656228251 411214108 /nfs/dbraw/zinc/21/41/08/411214108.db2.gz SZAFFKLQBKQKJW-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCCC23CC3)c1 ZINC000658046471 411217178 /nfs/dbraw/zinc/21/71/78/411217178.db2.gz ZRUJBUZQNYWGIZ-LBPRGKRZSA-N 1 2 232.327 2.973 20 0 BFADLO CC(C)n1nccc1CNc1cc[nH+]cc1F ZINC000279944684 167796194 /nfs/dbraw/zinc/79/61/94/167796194.db2.gz AQTXTZPPNTXMMX-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC3(F)F)C2)c(F)c1 ZINC000656267139 411221380 /nfs/dbraw/zinc/22/13/80/411221380.db2.gz RVEPKCVCRDKHGA-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO CCc1ncc(C[NH+]2CC3(CC3(F)F)C2)s1 ZINC000656265855 411221612 /nfs/dbraw/zinc/22/16/12/411221612.db2.gz LNRWVWAYMIHNBF-UHFFFAOYSA-N 1 2 244.310 2.547 20 0 BFADLO Cc1ccc(F)c(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000656266455 411221789 /nfs/dbraw/zinc/22/17/89/411221789.db2.gz XQTNPDSLLKKJDX-UHFFFAOYSA-N 1 2 241.256 2.975 20 0 BFADLO Cc1ccc(Cn2cc(C3CC3)cn2)c[nH+]1 ZINC000655683200 411225286 /nfs/dbraw/zinc/22/52/86/411225286.db2.gz PRMHVXPACFIIPE-UHFFFAOYSA-N 1 2 213.284 2.512 20 0 BFADLO COc1cc[nH+]cc1Cn1cc(C2CCC2)cn1 ZINC000655689682 411233423 /nfs/dbraw/zinc/23/34/23/411233423.db2.gz JYGPDJIWCPKCQB-UHFFFAOYSA-N 1 2 243.310 2.603 20 0 BFADLO Cc1ccc(Cn2cc(C3CCC3)cn2)c[nH+]1 ZINC000655689998 411234543 /nfs/dbraw/zinc/23/45/43/411234543.db2.gz QXMNNADWKVIQJM-UHFFFAOYSA-N 1 2 227.311 2.902 20 0 BFADLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CCCC1 ZINC000652411747 411234495 /nfs/dbraw/zinc/23/44/95/411234495.db2.gz MPYGMOOXFUQCQP-SNVBAGLBSA-N 1 2 249.358 2.587 20 0 BFADLO Cn1cc[nH+]c1-c1cccc(C2CC(=O)C2)c1 ZINC000656369699 411236285 /nfs/dbraw/zinc/23/62/85/411236285.db2.gz ZCNKNGWCPLWASL-UHFFFAOYSA-N 1 2 226.279 2.534 20 0 BFADLO Cn1cc[nH+]c1-c1ccc(C(=O)C2CC2)cc1 ZINC000656371716 411237972 /nfs/dbraw/zinc/23/79/72/411237972.db2.gz QLPHQZSLUHUQPV-UHFFFAOYSA-N 1 2 226.279 2.680 20 0 BFADLO CC/C=C/CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000297120168 167853191 /nfs/dbraw/zinc/85/31/91/167853191.db2.gz RPCHFRYPPWEFBX-AATRIKPKSA-N 1 2 233.315 2.786 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CCCCO2)c[nH+]1 ZINC000653466120 411284911 /nfs/dbraw/zinc/28/49/11/411284911.db2.gz YTVVWSORRPCHDN-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C[C@@H]1F ZINC000656531885 411290035 /nfs/dbraw/zinc/29/00/35/411290035.db2.gz NRZOSJDNCPJSDS-MFKMUULPSA-N 1 2 249.333 2.534 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C[C@@H]1F ZINC000656531885 411290038 /nfs/dbraw/zinc/29/00/38/411290038.db2.gz NRZOSJDNCPJSDS-MFKMUULPSA-N 1 2 249.333 2.534 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1F ZINC000660219691 411299745 /nfs/dbraw/zinc/29/97/45/411299745.db2.gz FNFHBRDTNXSYCW-SKDRFNHKSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1F ZINC000660219691 411299746 /nfs/dbraw/zinc/29/97/46/411299746.db2.gz FNFHBRDTNXSYCW-SKDRFNHKSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cc(C)nc(C)n2)o1 ZINC000659826031 411307923 /nfs/dbraw/zinc/30/79/23/411307923.db2.gz CCKAPXSYBNXMMU-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cc(C)nc(C)n2)o1 ZINC000659826031 411307925 /nfs/dbraw/zinc/30/79/25/411307925.db2.gz CCKAPXSYBNXMMU-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)o1 ZINC000656647967 411315606 /nfs/dbraw/zinc/31/56/06/411315606.db2.gz YYVGYIPXZQVVEA-DTORHVGOSA-N 1 2 239.702 2.629 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)o1 ZINC000656647967 411315607 /nfs/dbraw/zinc/31/56/07/411315607.db2.gz YYVGYIPXZQVVEA-DTORHVGOSA-N 1 2 239.702 2.629 20 0 BFADLO Cc1ccccc1CC1C[NH+](Cc2cocn2)C1 ZINC000656649104 411315793 /nfs/dbraw/zinc/31/57/93/411315793.db2.gz PWWUHNTVIOZYNM-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO COc1cc(C)c(C)cc1NCc1c[nH+]cn1C ZINC000656660292 411318682 /nfs/dbraw/zinc/31/86/82/411318682.db2.gz VQKQNTMFSFOXHT-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccn2)co1 ZINC000660140170 411256471 /nfs/dbraw/zinc/25/64/71/411256471.db2.gz KAYNMHZWYQUKLA-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccn2)co1 ZINC000660140170 411256475 /nfs/dbraw/zinc/25/64/75/411256475.db2.gz KAYNMHZWYQUKLA-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO FC1(CNc2c[nH+]cc3c2CCCC3)CC1 ZINC000656775823 411356525 /nfs/dbraw/zinc/35/65/25/411356525.db2.gz BHWBODMLEVOJIW-UHFFFAOYSA-N 1 2 220.291 2.874 20 0 BFADLO c1cncc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000656776187 411356607 /nfs/dbraw/zinc/35/66/07/411356607.db2.gz KOCIXBRTLNUMCD-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO c1cc(CNc2c[nH+]cc3c2CCCC3)c[nH]1 ZINC000656777006 411357049 /nfs/dbraw/zinc/35/70/49/411357049.db2.gz XPNCJTOBOLUDNV-UHFFFAOYSA-N 1 2 227.311 2.901 20 0 BFADLO CC1(C)CN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000270563975 167964247 /nfs/dbraw/zinc/96/42/47/167964247.db2.gz KVIFLDBKGVZAPI-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO Cc1c[nH+]cc(NCc2ccnn2CC2CC2)c1 ZINC000656771473 411364566 /nfs/dbraw/zinc/36/45/66/411364566.db2.gz FOLVYMAEXIFFSE-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661968247 411336651 /nfs/dbraw/zinc/33/66/51/411336651.db2.gz WCWNRUXAEYOETD-NXEZZACHSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000661968247 411336655 /nfs/dbraw/zinc/33/66/55/411336655.db2.gz WCWNRUXAEYOETD-NXEZZACHSA-N 1 2 237.372 2.503 20 0 BFADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccnn1C ZINC000658337793 411345785 /nfs/dbraw/zinc/34/57/85/411345785.db2.gz GQCIOAWHFWZQGW-VIFPVBQESA-N 1 2 245.317 2.752 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(C(C)C)no2)CC1 ZINC000280856135 168084911 /nfs/dbraw/zinc/08/49/11/168084911.db2.gz YMAIDPGUIFYVSI-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(C(C)C)no2)CC1 ZINC000280856135 168084912 /nfs/dbraw/zinc/08/49/12/168084912.db2.gz YMAIDPGUIFYVSI-UHFFFAOYSA-N 1 2 235.331 2.735 20 0 BFADLO CC1=CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336423462 168099064 /nfs/dbraw/zinc/09/90/64/168099064.db2.gz ZPRJTVLMVZVMGR-UHFFFAOYSA-N 1 2 245.248 2.581 20 0 BFADLO CC1=CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000336423462 168099065 /nfs/dbraw/zinc/09/90/65/168099065.db2.gz ZPRJTVLMVZVMGR-UHFFFAOYSA-N 1 2 245.248 2.581 20 0 BFADLO CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(CO)c[nH+]1 ZINC000356322072 168102053 /nfs/dbraw/zinc/10/20/53/168102053.db2.gz QMDYEHPFQJFBQA-TZMCWYRMSA-N 1 2 246.354 2.978 20 0 BFADLO CC1=CC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000270090586 168110263 /nfs/dbraw/zinc/11/02/63/168110263.db2.gz APCRFPBIBRRZPQ-TWGQIWQCSA-N 1 2 206.116 2.957 20 0 BFADLO CC1=CC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC000270090586 168110266 /nfs/dbraw/zinc/11/02/66/168110266.db2.gz APCRFPBIBRRZPQ-TWGQIWQCSA-N 1 2 206.116 2.957 20 0 BFADLO CC1=C[C@H](C)C[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000356423802 168129611 /nfs/dbraw/zinc/12/96/11/168129611.db2.gz LRVBUCCIXMLYFP-JQWIXIFHSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=C[C@H](C)C[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000356423802 168129613 /nfs/dbraw/zinc/12/96/13/168129613.db2.gz LRVBUCCIXMLYFP-JQWIXIFHSA-N 1 2 247.329 2.538 20 0 BFADLO CCC(=Cc1nc(Cc2c[nH+]cn2C)no1)CC ZINC000357950807 168196826 /nfs/dbraw/zinc/19/68/26/168196826.db2.gz KYCBZKLGOFOGEQ-UHFFFAOYSA-N 1 2 246.314 2.597 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2CC23CCC3)c[nH+]1 ZINC000654380216 411383127 /nfs/dbraw/zinc/38/31/27/411383127.db2.gz QIXHWQVSKVRUGO-CYBMUJFWSA-N 1 2 244.338 2.505 20 0 BFADLO Clc1cccc2c1C[N@H+](Cc1cn[nH]c1)CC2 ZINC000657047176 411398504 /nfs/dbraw/zinc/39/85/04/411398504.db2.gz RCMJBDGJGDOOJN-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1cccc2c1C[N@@H+](Cc1cn[nH]c1)CC2 ZINC000657047176 411398507 /nfs/dbraw/zinc/39/85/07/411398507.db2.gz RCMJBDGJGDOOJN-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1c[nH]c(CNc2ccc3c(c2)CCC3)[nH+]1 ZINC000657320581 411461565 /nfs/dbraw/zinc/46/15/65/411461565.db2.gz CLYMGKGJPJVHFU-UHFFFAOYSA-N 1 2 227.311 2.819 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C)cc2)[nH+]1 ZINC000657320012 411461578 /nfs/dbraw/zinc/46/15/78/411461578.db2.gz SJYYVSLGQMLYTG-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1ccc(NCc2cc3n(n2)CCCC3)c[nH+]1 ZINC000653497379 411413539 /nfs/dbraw/zinc/41/35/39/411413539.db2.gz ATSRJRNAEJISAJ-UHFFFAOYSA-N 1 2 242.326 2.535 20 0 BFADLO Cc1c[nH]c(CNc2ccc(F)cc2C)[nH+]1 ZINC000657317758 411462685 /nfs/dbraw/zinc/46/26/85/411462685.db2.gz FGNXNTXGPSNJQN-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO CCn1nccc1C[N@H+](CC)Cc1occc1C ZINC000414531805 411426456 /nfs/dbraw/zinc/42/64/56/411426456.db2.gz AACPVVSILIVQMO-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCn1nccc1C[N@@H+](CC)Cc1occc1C ZINC000414531805 411426459 /nfs/dbraw/zinc/42/64/59/411426459.db2.gz AACPVVSILIVQMO-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2ccccc2C)s1 ZINC000271428850 411429865 /nfs/dbraw/zinc/42/98/65/411429865.db2.gz NPIRRIPEZHYIAP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2ccccc2C)s1 ZINC000271428850 411429869 /nfs/dbraw/zinc/42/98/69/411429869.db2.gz NPIRRIPEZHYIAP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1F ZINC000122539905 411434696 /nfs/dbraw/zinc/43/46/96/411434696.db2.gz YSQUYLRPVIBLII-LBPRGKRZSA-N 1 2 233.290 2.790 20 0 BFADLO C[C@H]1CCCC[C@H]1COCc1[nH]cc[nH+]1 ZINC000657254851 411435881 /nfs/dbraw/zinc/43/58/81/411435881.db2.gz DFPOETJMNHFEDC-QWRGUYRKSA-N 1 2 208.305 2.753 20 0 BFADLO Cc1cnc(SCc2[nH+]ccn2C)c(C)c1 ZINC000657281982 411442176 /nfs/dbraw/zinc/44/21/76/411442176.db2.gz NIUKWFJQXMQMLJ-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO COc1ccc(N[C@H]2CC[C@H](C)SC2)[nH+]c1 ZINC000655743917 411447542 /nfs/dbraw/zinc/44/75/42/411447542.db2.gz MCPQKANXJWJBHY-UWVGGRQHSA-N 1 2 238.356 2.786 20 0 BFADLO FC(F)C[N@H+](CCC1CCC1)C1CC1 ZINC000659907508 411493579 /nfs/dbraw/zinc/49/35/79/411493579.db2.gz HDURCYSLVAIXGR-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)C[N@@H+](CCC1CCC1)C1CC1 ZINC000659907508 411493581 /nfs/dbraw/zinc/49/35/81/411493581.db2.gz HDURCYSLVAIXGR-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cc(C(C)C)no1 ZINC000608057213 411497298 /nfs/dbraw/zinc/49/72/98/411497298.db2.gz GHBKQAXIRATYOI-UHFFFAOYSA-N 1 2 234.299 2.989 20 0 BFADLO Cc1cc(NCc2[nH]c(C)c(C)[nH+]2)nn1C(C)C ZINC000657496685 411534703 /nfs/dbraw/zinc/53/47/03/411534703.db2.gz VRKNXWWDFMQMCC-UHFFFAOYSA-N 1 2 247.346 2.724 20 0 BFADLO COc1c(C)cccc1C[NH2+]Cc1nccs1 ZINC000655831049 411528955 /nfs/dbraw/zinc/52/89/55/411528955.db2.gz BMCFVEXXTJPEHW-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO Cc1cscc1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654934208 411465531 /nfs/dbraw/zinc/46/55/31/411465531.db2.gz JEUYTQDQEMCQDL-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1cscc1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000654934208 411465532 /nfs/dbraw/zinc/46/55/32/411465532.db2.gz JEUYTQDQEMCQDL-QMMMGPOBSA-N 1 2 249.339 2.597 20 0 BFADLO CC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187853724 170005826 /nfs/dbraw/zinc/00/58/26/170005826.db2.gz XPLDUQKZHXFKLW-LBPRGKRZSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187853724 170005827 /nfs/dbraw/zinc/00/58/27/170005827.db2.gz XPLDUQKZHXFKLW-LBPRGKRZSA-N 1 2 243.709 2.872 20 0 BFADLO Cc1cc(NCc2c[nH+]cn2C)ccc1Cl ZINC000655853744 411537866 /nfs/dbraw/zinc/53/78/66/411537866.db2.gz MSTPLBLGXQOSSC-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCCc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000660143185 411544871 /nfs/dbraw/zinc/54/48/71/411544871.db2.gz RXRZRZKJSBXYCV-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCCc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000660143185 411544872 /nfs/dbraw/zinc/54/48/72/411544872.db2.gz RXRZRZKJSBXYCV-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CC[NH2+]c1ccc(-n2ccc(C)n2)cc1 ZINC000309032738 170172949 /nfs/dbraw/zinc/17/29/49/170172949.db2.gz FYINLVUQJZVMMN-UHFFFAOYSA-N 1 2 201.273 2.613 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119037240 170226164 /nfs/dbraw/zinc/22/61/64/170226164.db2.gz NWKUCZFACOBBSD-HNNXBMFYSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000037394446 170227106 /nfs/dbraw/zinc/22/71/06/170227106.db2.gz DHNICNMMQYCIGG-AWEZNQCLSA-N 1 2 235.327 2.536 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC000353592621 170247502 /nfs/dbraw/zinc/24/75/02/170247502.db2.gz TXGVVTMPVXFSSP-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC000353592621 170247505 /nfs/dbraw/zinc/24/75/05/170247505.db2.gz TXGVVTMPVXFSSP-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+](C)Cc1cccs1 ZINC000082761013 170249910 /nfs/dbraw/zinc/24/99/10/170249910.db2.gz INHZJKKVNOHEGT-LLVKDONJSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+](C)Cc1cccs1 ZINC000082761013 170249911 /nfs/dbraw/zinc/24/99/11/170249911.db2.gz INHZJKKVNOHEGT-LLVKDONJSA-N 1 2 241.356 2.522 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccn1 ZINC000660245432 411558920 /nfs/dbraw/zinc/55/89/20/411558920.db2.gz YMQPWXAQVJTWAD-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@H](C)CC ZINC000041118403 170255261 /nfs/dbraw/zinc/25/52/61/170255261.db2.gz CYXSYYPOLKPCCC-OCCSQVGLSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC000353589690 170265799 /nfs/dbraw/zinc/26/57/99/170265799.db2.gz SFHZAAXBCTYRTA-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC000353589690 170265800 /nfs/dbraw/zinc/26/58/00/170265800.db2.gz SFHZAAXBCTYRTA-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC000353592622 170265828 /nfs/dbraw/zinc/26/58/28/170265828.db2.gz TXGVVTMPVXFSSP-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(CC)cc1 ZINC000353592622 170265829 /nfs/dbraw/zinc/26/58/29/170265829.db2.gz TXGVVTMPVXFSSP-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000177477040 170268039 /nfs/dbraw/zinc/26/80/39/170268039.db2.gz CZVYDZHBPJKJDT-AGIUHOORSA-N 1 2 249.354 2.720 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000049367615 170268143 /nfs/dbraw/zinc/26/81/43/170268143.db2.gz IOBPMZHHZXXSDV-RYUDHWBXSA-N 1 2 249.354 2.851 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361046453 170271781 /nfs/dbraw/zinc/27/17/81/170271781.db2.gz PIXKDSJLBDKECV-FZMZJTMJSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361046453 170271783 /nfs/dbraw/zinc/27/17/83/170271783.db2.gz PIXKDSJLBDKECV-FZMZJTMJSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1)[C@@H](C)CC ZINC000041118409 170277117 /nfs/dbraw/zinc/27/71/17/170277117.db2.gz CYXSYYPOLKPCCC-GXTWGEPZSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@H]1C ZINC000339573703 170278680 /nfs/dbraw/zinc/27/86/80/170278680.db2.gz NIXJWOQLQUGJFN-SCRDCRAPSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H]1C ZINC000339573703 170278681 /nfs/dbraw/zinc/27/86/81/170278681.db2.gz NIXJWOQLQUGJFN-SCRDCRAPSA-N 1 2 247.338 2.631 20 0 BFADLO Cc1nc(C[NH2+]C(C)(C)c2ccc(C)nc2)co1 ZINC000660277182 411563661 /nfs/dbraw/zinc/56/36/61/411563661.db2.gz MPAMFZYNBNUWQM-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CCOC(C)(C)CNc1cc[nH+]c(C(C)C)n1 ZINC000302516419 170315258 /nfs/dbraw/zinc/31/52/58/170315258.db2.gz VPURZLPZHOPOGN-UHFFFAOYSA-N 1 2 237.347 2.827 20 0 BFADLO CCOC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC000310380673 170320473 /nfs/dbraw/zinc/32/04/73/170320473.db2.gz AXJKQMJHOXTMDE-UHFFFAOYSA-N 1 2 235.331 2.546 20 0 BFADLO CCOC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301883162 170332376 /nfs/dbraw/zinc/33/23/76/170332376.db2.gz NGOASSXKIIKUAP-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CSc1cccc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000660323895 411568479 /nfs/dbraw/zinc/56/84/79/411568479.db2.gz UXJLXVAVUZCRTK-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO CSc1cccc(C[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000660323895 411568480 /nfs/dbraw/zinc/56/84/80/411568480.db2.gz UXJLXVAVUZCRTK-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO CCOCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110242813 170370970 /nfs/dbraw/zinc/37/09/70/170370970.db2.gz AJNSBZAEMMCUQD-UHFFFAOYSA-N 1 2 235.331 2.583 20 0 BFADLO CCOCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337408417 170372102 /nfs/dbraw/zinc/37/21/02/170372102.db2.gz NUTSMSIIWIYPAX-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCOCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337408417 170372103 /nfs/dbraw/zinc/37/21/03/170372103.db2.gz NUTSMSIIWIYPAX-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCOCCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000357211733 170393064 /nfs/dbraw/zinc/39/30/64/170393064.db2.gz NHFPFSXFBHQGOJ-UHFFFAOYSA-N 1 2 248.301 2.847 20 0 BFADLO CCOCC[N@H+](CC)Cc1csc(Cl)n1 ZINC000297396167 170396251 /nfs/dbraw/zinc/39/62/51/170396251.db2.gz FKJWBUDHTNCOEU-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCOCC[N@@H+](CC)Cc1csc(Cl)n1 ZINC000297396167 170396253 /nfs/dbraw/zinc/39/62/53/170396253.db2.gz FKJWBUDHTNCOEU-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2nc(C)oc2C)c1 ZINC000660395740 411579556 /nfs/dbraw/zinc/57/95/56/411579556.db2.gz GBGGHEYPYPYGDM-UHFFFAOYSA-N 1 2 247.342 2.745 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2nc(C)oc2C)c1 ZINC000660395740 411579558 /nfs/dbraw/zinc/57/95/58/411579558.db2.gz GBGGHEYPYPYGDM-UHFFFAOYSA-N 1 2 247.342 2.745 20 0 BFADLO Cc1n[nH]c(C)c1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793699 411598837 /nfs/dbraw/zinc/59/88/37/411598837.db2.gz PFNGRVCEHVSAEZ-UHFFFAOYSA-N 1 2 245.317 2.798 20 0 BFADLO CCn1c[nH+]cc1CNCC(F)(F)C(C)(C)C ZINC000657793123 411598873 /nfs/dbraw/zinc/59/88/73/411598873.db2.gz RYONHZXMGIGOEX-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO FC(F)C[NH+]1CCC(C2CCC2)CC1 ZINC000661374951 411758118 /nfs/dbraw/zinc/75/81/18/411758118.db2.gz QXGBOBVGHGLAGP-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC(C3CCC3)CC2)no1 ZINC000661374203 411758676 /nfs/dbraw/zinc/75/86/76/411758676.db2.gz LSZAWOQSXLMKOY-JTQLQIEISA-N 1 2 249.358 2.951 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661407638 411770181 /nfs/dbraw/zinc/77/01/81/411770181.db2.gz OHJPYDBZQUXQHU-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661407638 411770185 /nfs/dbraw/zinc/77/01/85/411770185.db2.gz OHJPYDBZQUXQHU-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO O[C@@H]1CC[N@@H+]([C@@H]2C=CCCCCC2)CC1(F)F ZINC000661407591 411770840 /nfs/dbraw/zinc/77/08/40/411770840.db2.gz NHZIHLBXXJBNJZ-VXGBXAGGSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@@H]1CC[N@H+]([C@@H]2C=CCCCCC2)CC1(F)F ZINC000661407591 411770842 /nfs/dbraw/zinc/77/08/42/411770842.db2.gz NHZIHLBXXJBNJZ-VXGBXAGGSA-N 1 2 245.313 2.577 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661408679 411771018 /nfs/dbraw/zinc/77/10/18/411771018.db2.gz LXBAPUPBIHLVRB-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661408679 411771021 /nfs/dbraw/zinc/77/10/21/411771021.db2.gz LXBAPUPBIHLVRB-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1nc(N2C[C@@H](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000663947801 411786927 /nfs/dbraw/zinc/78/69/27/411786927.db2.gz SCCRRZVRRJYORE-ZJUUUORDSA-N 1 2 231.343 2.508 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661688777 411839087 /nfs/dbraw/zinc/83/90/87/411839087.db2.gz ICSQCRPLAOBMTI-ONGXEEELSA-N 1 2 241.310 2.511 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CCC[C@@H](CCF)C2)no1 ZINC000661688777 411839090 /nfs/dbraw/zinc/83/90/90/411839090.db2.gz ICSQCRPLAOBMTI-ONGXEEELSA-N 1 2 241.310 2.511 20 0 BFADLO CC(C)N(Cc1[nH+]ccn1C)c1cccc(F)c1 ZINC000662016901 411941823 /nfs/dbraw/zinc/94/18/23/411941823.db2.gz KJVCLZZJEWLSOZ-UHFFFAOYSA-N 1 2 247.317 2.974 20 0 BFADLO C[C@H](Nc1ccc2ccccc2[nH+]1)C1(CO)CC1 ZINC000664273956 411909471 /nfs/dbraw/zinc/90/94/71/411909471.db2.gz XYZLLQSFCCVSIF-NSHDSACASA-N 1 2 242.322 2.808 20 0 BFADLO CCc1cc(N[C@H](CC)COCC2CC2)nc[nH+]1 ZINC000664171241 411878249 /nfs/dbraw/zinc/87/82/49/411878249.db2.gz BREDWMQHQTZIOY-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cc(NCCCC2CCC2)nc[nH+]1 ZINC000664395531 411941595 /nfs/dbraw/zinc/94/15/95/411941595.db2.gz LQADXLZGKFYOEH-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO COc1c(C)[nH+]cnc1N[C@H](C(C)C)C1CC1 ZINC000664546483 411983495 /nfs/dbraw/zinc/98/34/95/411983495.db2.gz PLZSHMWJSQWWSR-LLVKDONJSA-N 1 2 235.331 2.640 20 0 BFADLO CO[C@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC000664585892 411991713 /nfs/dbraw/zinc/99/17/13/411991713.db2.gz CXNCPTDNXMJOQX-CYBMUJFWSA-N 1 2 249.358 2.792 20 0 BFADLO CN(CC1=CCSC1)c1[nH]c2ccccc2[nH+]1 ZINC000664641523 412003735 /nfs/dbraw/zinc/00/37/35/412003735.db2.gz SZHLKKLNGJOUIJ-UHFFFAOYSA-N 1 2 245.351 2.672 20 0 BFADLO Cc1cc(N[C@H]2C[C@H](O)C2)c2cccc(F)c2[nH+]1 ZINC000664642747 412003906 /nfs/dbraw/zinc/00/39/06/412003906.db2.gz DBDBPPPXWPSYRG-MGCOHNPYSA-N 1 2 246.285 2.618 20 0 BFADLO CN(C[C@H]1CC1(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000664670936 412007586 /nfs/dbraw/zinc/00/75/86/412007586.db2.gz XQDZHHKFPJDCGJ-LLVKDONJSA-N 1 2 231.343 2.836 20 0 BFADLO CC[C@@H]1C[C@H]1c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664985233 412057196 /nfs/dbraw/zinc/05/71/96/412057196.db2.gz KTEUTMNRWZNHIX-ZYHUDNBSSA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000307510587 171024787 /nfs/dbraw/zinc/02/47/87/171024787.db2.gz KPQMJAGNBKIDPV-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1ncc(Cl)s1 ZINC000307510587 171024790 /nfs/dbraw/zinc/02/47/90/171024790.db2.gz KPQMJAGNBKIDPV-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@@H]1C[N@@H+]([C@H](C)c2ncc(C)o2)C[C@@H](C)O1 ZINC000357007276 171095556 /nfs/dbraw/zinc/09/55/56/171095556.db2.gz OJTIVGADESZUBW-IJLUTSLNSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[N@H+]([C@H](C)c2ncc(C)o2)C[C@@H](C)O1 ZINC000357007276 171095559 /nfs/dbraw/zinc/09/55/59/171095559.db2.gz OJTIVGADESZUBW-IJLUTSLNSA-N 1 2 238.331 2.543 20 0 BFADLO CC[C@@H]1C[C@H](C(=O)Nc2cc[nH+]cc2C)CCO1 ZINC000180303029 171126061 /nfs/dbraw/zinc/12/60/61/171126061.db2.gz GSXHFQHKRQSHCB-VXGBXAGGSA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@@](C)([NH2+]C/C=C/c1ccccc1)C(=O)OC ZINC000299732760 171174283 /nfs/dbraw/zinc/17/42/83/171174283.db2.gz XYTMFXLXXKDPBH-KUCQQTCKSA-N 1 2 247.338 2.631 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](C)(F)C1 ZINC000361863299 171239659 /nfs/dbraw/zinc/23/96/59/171239659.db2.gz UYGPUZWGPXQPII-MFKMUULPSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](C)(F)C1 ZINC000361863299 171239660 /nfs/dbraw/zinc/23/96/60/171239660.db2.gz UYGPUZWGPXQPII-MFKMUULPSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120127070 171248567 /nfs/dbraw/zinc/24/85/67/171248567.db2.gz BZVXARUYWHQIIT-QWRGUYRKSA-N 1 2 235.331 2.509 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276619545 171258104 /nfs/dbraw/zinc/25/81/04/171258104.db2.gz NNYLICPDPYHVMN-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@H](C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000189900069 171263235 /nfs/dbraw/zinc/26/32/35/171263235.db2.gz UPWNCOOHMAZOQQ-JTQLQIEISA-N 1 2 235.331 2.522 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cc1noc(C(C)C)n1 ZINC000111255024 171275000 /nfs/dbraw/zinc/27/50/00/171275000.db2.gz WGUVQXGEOPFRKZ-JTQLQIEISA-N 1 2 225.336 2.671 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000111255024 171275002 /nfs/dbraw/zinc/27/50/02/171275002.db2.gz WGUVQXGEOPFRKZ-JTQLQIEISA-N 1 2 225.336 2.671 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357519492 171358724 /nfs/dbraw/zinc/35/87/24/171358724.db2.gz OVTJPEJXNDXKQV-QJPTWQEYSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000179828099 171362457 /nfs/dbraw/zinc/36/24/57/171362457.db2.gz ASWYAGJYWWJZSS-GXSJLCMTSA-N 1 2 235.331 2.946 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233999926 171367315 /nfs/dbraw/zinc/36/73/15/171367315.db2.gz DJYCWYMVZYXRIM-NKWVEPMBSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233999926 171367317 /nfs/dbraw/zinc/36/73/17/171367317.db2.gz DJYCWYMVZYXRIM-NKWVEPMBSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@H](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294909164 171393269 /nfs/dbraw/zinc/39/32/69/171393269.db2.gz IDUKJSMTKHGGLC-JQWIXIFHSA-N 1 2 249.358 2.827 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662348182 412118803 /nfs/dbraw/zinc/11/88/03/412118803.db2.gz RIYJNAJEJLADCD-JTQLQIEISA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662348182 412118806 /nfs/dbraw/zinc/11/88/06/412118806.db2.gz RIYJNAJEJLADCD-JTQLQIEISA-N 1 2 237.347 2.671 20 0 BFADLO Cn1cc[nH+]c1-c1ccc(OC2CC2)cc1 ZINC000665181394 412122501 /nfs/dbraw/zinc/12/25/01/412122501.db2.gz PUCXVMHPAZHBTJ-UHFFFAOYSA-N 1 2 214.268 2.628 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662412657 412155968 /nfs/dbraw/zinc/15/59/68/412155968.db2.gz RRQXVIAVFFVGOI-PWSUYJOCSA-N 1 2 247.342 2.819 20 0 BFADLO CCc1ccccc1C[NH2+][C@H](C)c1nc(C)no1 ZINC000354536255 171884291 /nfs/dbraw/zinc/88/42/91/171884291.db2.gz KIRBMRPKNRPFQO-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccc(N[C@@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000164572625 487623449 /nfs/dbraw/zinc/62/34/49/487623449.db2.gz GNERAMMENRSRTQ-LLVKDONJSA-N 1 2 220.316 2.760 20 0 BFADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000271411405 172002078 /nfs/dbraw/zinc/00/20/78/172002078.db2.gz ARNQZCQABZWICF-NXEZZACHSA-N 1 2 248.330 2.680 20 0 BFADLO CCc1nc([C@H](C)Nc2cc(C)[nH+]cn2)cs1 ZINC000301249809 172006884 /nfs/dbraw/zinc/00/68/84/172006884.db2.gz MDDZHOGEMGKVMK-VIFPVBQESA-N 1 2 248.355 2.977 20 0 BFADLO CCc1nnc(C[N@H+]2CC=C(C(C)(C)C)CC2)o1 ZINC000270411920 172048426 /nfs/dbraw/zinc/04/84/26/172048426.db2.gz XUZPEMXHCACYMT-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CCc1nnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)o1 ZINC000270411920 172048428 /nfs/dbraw/zinc/04/84/28/172048428.db2.gz XUZPEMXHCACYMT-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CCc1nnc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336707178 172050401 /nfs/dbraw/zinc/05/04/01/172050401.db2.gz KILMTEPVCRECSG-LBPRGKRZSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1nnc(C[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336707178 172050405 /nfs/dbraw/zinc/05/04/05/172050405.db2.gz KILMTEPVCRECSG-LBPRGKRZSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2)s1 ZINC000273134894 172053354 /nfs/dbraw/zinc/05/33/54/172053354.db2.gz JDYUCCBIRALQNB-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336270018 172063634 /nfs/dbraw/zinc/06/36/34/172063634.db2.gz CKDWQHOHKSXJEN-BXKDBHETSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000336270018 172063636 /nfs/dbraw/zinc/06/36/36/172063636.db2.gz CKDWQHOHKSXJEN-BXKDBHETSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000111191814 172066618 /nfs/dbraw/zinc/06/66/18/172066618.db2.gz CBFDEEFTHAIVJG-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000111191814 172066619 /nfs/dbraw/zinc/06/66/19/172066619.db2.gz CBFDEEFTHAIVJG-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc(C)c1C[N@H+](C)Cc1ccco1 ZINC000162370575 172076229 /nfs/dbraw/zinc/07/62/29/172076229.db2.gz PKGQIJRMZITRLC-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccco1 ZINC000162370575 172076232 /nfs/dbraw/zinc/07/62/32/172076232.db2.gz PKGQIJRMZITRLC-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1noc([C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000078882392 172088667 /nfs/dbraw/zinc/08/86/67/172088667.db2.gz LBPLYBWIESSHDH-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000078882392 172088670 /nfs/dbraw/zinc/08/86/70/172088670.db2.gz LBPLYBWIESSHDH-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2cc(C)ncn2)o1 ZINC000678605927 487624013 /nfs/dbraw/zinc/62/40/13/487624013.db2.gz VOYWBZMXMRPKPK-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCn1cc(CNc2ccc([NH+](C)C)cc2)cn1 ZINC000060095393 172175830 /nfs/dbraw/zinc/17/58/30/172175830.db2.gz QLVWWXAIPHBSDK-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO CCn1cccc1C[N@H+](C)Cc1csc(C)n1 ZINC000336717230 172203108 /nfs/dbraw/zinc/20/31/08/172203108.db2.gz WERXXVDICWZLSE-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1cccc1C[N@@H+](C)Cc1csc(C)n1 ZINC000336717230 172203111 /nfs/dbraw/zinc/20/31/11/172203111.db2.gz WERXXVDICWZLSE-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1cccc1CNc1ccc(C)[nH+]c1 ZINC000164700682 172208995 /nfs/dbraw/zinc/20/89/95/172208995.db2.gz DUXMNIOAJTYSOF-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCn1cccc1CNc1cccc[nH+]1 ZINC000296344038 172210999 /nfs/dbraw/zinc/21/09/99/172210999.db2.gz INBDGSCBZAMUBL-UHFFFAOYSA-N 1 2 201.273 2.515 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1cccc(C)c1 ZINC000341826594 172218057 /nfs/dbraw/zinc/21/80/57/172218057.db2.gz HOKICXQBXXBQMQ-UHFFFAOYSA-N 1 2 243.354 2.843 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000341826594 172218061 /nfs/dbraw/zinc/21/80/61/172218061.db2.gz HOKICXQBXXBQMQ-UHFFFAOYSA-N 1 2 243.354 2.843 20 0 BFADLO CCn1ccnc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336723546 172220268 /nfs/dbraw/zinc/22/02/68/172220268.db2.gz ZNAOFEKHVHDUEM-AWEZNQCLSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1ccnc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000336723546 172220269 /nfs/dbraw/zinc/22/02/69/172220269.db2.gz ZNAOFEKHVHDUEM-AWEZNQCLSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1occc1C ZINC000295240814 172227271 /nfs/dbraw/zinc/22/72/71/172227271.db2.gz PAZXPZCFFIZBOA-LLVKDONJSA-N 1 2 233.315 2.655 20 0 BFADLO C[N@H+](Cc1nccs1)Cc1ccccc1 ZINC000175055422 172870900 /nfs/dbraw/zinc/87/09/00/172870900.db2.gz HOWFWZFLWFGQON-UHFFFAOYSA-N 1 2 218.325 2.775 20 0 BFADLO C[N@@H+](Cc1nccs1)Cc1ccccc1 ZINC000175055422 172870903 /nfs/dbraw/zinc/87/09/03/172870903.db2.gz HOWFWZFLWFGQON-UHFFFAOYSA-N 1 2 218.325 2.775 20 0 BFADLO CN(c1ccc(F)cc1)c1[nH+]cccc1N ZINC000049964899 172947609 /nfs/dbraw/zinc/94/76/09/172947609.db2.gz SPNYLQUWXSNEJN-UHFFFAOYSA-N 1 2 217.247 2.571 20 0 BFADLO COC1(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000272555966 174006176 /nfs/dbraw/zinc/00/61/76/174006176.db2.gz UPSYPYJJWSTSMR-UHFFFAOYSA-N 1 2 243.310 2.611 20 0 BFADLO COCC(C)(C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000291985907 174076395 /nfs/dbraw/zinc/07/63/95/174076395.db2.gz XMVYPQFAJXETJY-UHFFFAOYSA-N 1 2 249.358 2.747 20 0 BFADLO COCCCSCc1cn2ccccc2[nH+]1 ZINC000187852297 174258869 /nfs/dbraw/zinc/25/88/69/174258869.db2.gz VLWDOVCZBYSONJ-UHFFFAOYSA-N 1 2 236.340 2.604 20 0 BFADLO COCCN(C)c1[nH+]c2ccccc2cc1C ZINC000301719177 174283178 /nfs/dbraw/zinc/28/31/78/174283178.db2.gz ZEEOPPXSUXLPCK-UHFFFAOYSA-N 1 2 230.311 2.626 20 0 BFADLO COCCSCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000358855754 174376686 /nfs/dbraw/zinc/37/66/86/174376686.db2.gz SINYPMXRLHIHSD-UHFFFAOYSA-N 1 2 236.340 2.751 20 0 BFADLO COCCSCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000358855754 174376688 /nfs/dbraw/zinc/37/66/88/174376688.db2.gz SINYPMXRLHIHSD-UHFFFAOYSA-N 1 2 236.340 2.751 20 0 BFADLO COCC[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000045020069 174386550 /nfs/dbraw/zinc/38/65/50/174386550.db2.gz ATTQKYSPHGSADO-GFCCVEGCSA-N 1 2 245.326 2.709 20 0 BFADLO COCC[C@@H](Nc1cc[nH+]c(C)n1)c1ccco1 ZINC000272430839 174394818 /nfs/dbraw/zinc/39/48/18/174394818.db2.gz GQHNCZGNWCGYMX-LLVKDONJSA-N 1 2 247.298 2.568 20 0 BFADLO COCC[C@@H](Nc1cc(C)[nH+]cn1)c1ccco1 ZINC000355574087 174394921 /nfs/dbraw/zinc/39/49/21/174394921.db2.gz JLNIXQKHFCHVOL-LLVKDONJSA-N 1 2 247.298 2.568 20 0 BFADLO COc1cc(N[C@H]2CCn3cc[nH+]c32)ccc1F ZINC000294083779 175004863 /nfs/dbraw/zinc/00/48/63/175004863.db2.gz LPVYLEMXYPSHJH-NSHDSACASA-N 1 2 247.273 2.588 20 0 BFADLO COc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107287567 175063669 /nfs/dbraw/zinc/06/36/69/175063669.db2.gz NXHVSPIXXCXRBW-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO COc1ccc(C)cc1C[NH2+]Cc1nccs1 ZINC000040444031 175075944 /nfs/dbraw/zinc/07/59/44/175075944.db2.gz SEHFUINUHMGYCA-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cocn1 ZINC000271941102 175081426 /nfs/dbraw/zinc/08/14/26/175081426.db2.gz ADPHKLVZWQTPKO-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc(F)c(CNc2cccc[nH+]2)c1 ZINC000339190378 175125688 /nfs/dbraw/zinc/12/56/88/175125688.db2.gz YZSKBZPSPXPJCK-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO COc1ccc(F)cc1N[C@H]1CCn2cc[nH+]c21 ZINC000296851262 175132267 /nfs/dbraw/zinc/13/22/67/175132267.db2.gz NEUKNUDTYNXRRV-JTQLQIEISA-N 1 2 247.273 2.588 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000668293208 487629952 /nfs/dbraw/zinc/62/99/52/487629952.db2.gz VZVYCMPCHQHSLE-FRRDWIJNSA-N 1 2 232.327 2.829 20 0 BFADLO COc1ccc([NH2+][C@H](C)C2CC2)c(OC)c1 ZINC000019903416 175154909 /nfs/dbraw/zinc/15/49/09/175154909.db2.gz SQLLSIMWNPPIBI-SECBINFHSA-N 1 2 221.300 2.914 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1 ZINC000271971802 175176770 /nfs/dbraw/zinc/17/67/70/175176770.db2.gz DQOQLQNFRHDIJW-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2ncc(C)o2)cc1 ZINC000223628162 175177436 /nfs/dbraw/zinc/17/74/36/175177436.db2.gz PDSRBDFLASWYST-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc2[nH+]c(C)nc(N[C@H]3C[C@H]3C)c2c1 ZINC000301949506 175227453 /nfs/dbraw/zinc/22/74/53/175227453.db2.gz IGVBRUATJPSRPT-OQPBUACISA-N 1 2 243.310 2.767 20 0 BFADLO COc1cccc(CCNc2cccc[nH+]2)c1 ZINC000225729087 175252716 /nfs/dbraw/zinc/25/27/16/175252716.db2.gz AFIAIOPGVNJDFS-UHFFFAOYSA-N 1 2 228.295 2.745 20 0 BFADLO COc1cccc(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000353185865 175258123 /nfs/dbraw/zinc/25/81/23/175258123.db2.gz UFJLXZKYFWOTJZ-LBPRGKRZSA-N 1 2 241.281 2.925 20 0 BFADLO COc1cccc(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000353185865 175258125 /nfs/dbraw/zinc/25/81/25/175258125.db2.gz UFJLXZKYFWOTJZ-LBPRGKRZSA-N 1 2 241.281 2.925 20 0 BFADLO COc1cccc(CSCCn2cc[nH+]c2)c1 ZINC000090199407 175270522 /nfs/dbraw/zinc/27/05/22/175270522.db2.gz YLXQYUUNCMLDMM-UHFFFAOYSA-N 1 2 248.351 2.825 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2cn[nH]c2C)c1 ZINC000037996433 175293157 /nfs/dbraw/zinc/29/31/57/175293157.db2.gz SJPCJTIXQJACCJ-JTQLQIEISA-N 1 2 245.326 2.578 20 0 BFADLO COc1cccc2c(NC[C@H](C)OC)cc[nH+]c12 ZINC000276021585 175300520 /nfs/dbraw/zinc/30/05/20/175300520.db2.gz KMCVLYNWNLPFED-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO COc1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC000082730036 175309790 /nfs/dbraw/zinc/30/97/90/175309790.db2.gz ZAVDNGWNGMOOKK-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1ccccc1CCNc1cccc[nH+]1 ZINC000067948723 175323195 /nfs/dbraw/zinc/32/31/95/175323195.db2.gz LETOGLFTXZDQPM-UHFFFAOYSA-N 1 2 228.295 2.745 20 0 BFADLO COc1cc[nH+]c(CN(CC(F)F)C(C)C)c1 ZINC000157245838 175357964 /nfs/dbraw/zinc/35/79/64/175357964.db2.gz GALPJUNFUKRBFO-UHFFFAOYSA-N 1 2 244.285 2.566 20 0 BFADLO COc1cc[nH+]cc1COc1ccccc1 ZINC000309327348 175373469 /nfs/dbraw/zinc/37/34/69/175373469.db2.gz RRHNTZPGQATSTJ-UHFFFAOYSA-N 1 2 215.252 2.669 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@@H]1C=CCCC1 ZINC000187312194 175374284 /nfs/dbraw/zinc/37/42/84/175374284.db2.gz VPDXQJZEKJOJDP-LLVKDONJSA-N 1 2 246.310 2.775 20 0 BFADLO COc1ccsc1CNc1cc[nH+]cc1F ZINC000309842050 175379619 /nfs/dbraw/zinc/37/96/19/175379619.db2.gz DTDIPJFVAUONDO-UHFFFAOYSA-N 1 2 238.287 2.903 20 0 BFADLO C[C@@H](Nc1ccc(F)cc1)c1[nH+]ccn1C ZINC000070007320 175930612 /nfs/dbraw/zinc/93/06/12/175930612.db2.gz DYZPKRSIAILUBS-SECBINFHSA-N 1 2 219.263 2.732 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[NH2+]CC(F)(F)F ZINC000042862567 176084078 /nfs/dbraw/zinc/08/40/78/176084078.db2.gz BHEMRJSTBQOKJG-BDAKNGLRSA-N 1 2 209.255 2.965 20 0 BFADLO C[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000135007350 176112007 /nfs/dbraw/zinc/11/20/07/176112007.db2.gz GRLUPYICJOLJRN-SECBINFHSA-N 1 2 201.273 2.552 20 0 BFADLO C[C@@H]1CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283284504 176120959 /nfs/dbraw/zinc/12/09/59/176120959.db2.gz WNAQYNFBXRYSNM-IDDPWSFUSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@@H]1CCC[C@H](COCc2[nH]cc[nH+]2)C1 ZINC000185544693 176139769 /nfs/dbraw/zinc/13/97/69/176139769.db2.gz TWXZZGNDYZJRIH-MNOVXSKESA-N 1 2 208.305 2.753 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)n2C)C[C@@H]1C ZINC000179683842 176179514 /nfs/dbraw/zinc/17/95/14/176179514.db2.gz LNYOGXOTGNGWHJ-ZJUUUORDSA-N 1 2 241.766 2.551 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)n2C)C[C@@H]1C ZINC000179683842 176179516 /nfs/dbraw/zinc/17/95/16/176179516.db2.gz LNYOGXOTGNGWHJ-ZJUUUORDSA-N 1 2 241.766 2.551 20 0 BFADLO C[C@@H]1C[C@H](C)CCN(c2cccc[nH+]2)C1 ZINC000301778621 176181973 /nfs/dbraw/zinc/18/19/73/176181973.db2.gz QCOWYNGIJWAZPN-VXGBXAGGSA-N 1 2 204.317 2.954 20 0 BFADLO C[C@@H]1CC[C@H](CSc2[nH+]cc3ccccn32)O1 ZINC000189987707 176227782 /nfs/dbraw/zinc/22/77/82/176227782.db2.gz FSBQICQYBVTSMC-ZYHUDNBSSA-N 1 2 248.351 2.994 20 0 BFADLO C[C@@H]1CC[C@H]([NH+]=c2[nH]c3cccc(F)c3n2C)C1 ZINC000336927648 176231525 /nfs/dbraw/zinc/23/15/25/176231525.db2.gz MYDPFMJMAUZSCR-ZJUUUORDSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302864729 176234763 /nfs/dbraw/zinc/23/47/63/176234763.db2.gz XPSKIWOVOWIEOW-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302864729 176234765 /nfs/dbraw/zinc/23/47/65/176234765.db2.gz XPSKIWOVOWIEOW-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302508895 176235156 /nfs/dbraw/zinc/23/51/56/176235156.db2.gz FQTDGPRYWNPPJK-PWSUYJOCSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302508895 176235158 /nfs/dbraw/zinc/23/51/58/176235158.db2.gz FQTDGPRYWNPPJK-PWSUYJOCSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CC[C@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000302521334 176235301 /nfs/dbraw/zinc/23/53/01/176235301.db2.gz IWNFJSNXRLTWCN-ZJUUUORDSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000278501030 176337520 /nfs/dbraw/zinc/33/75/20/176337520.db2.gz VMQJGXCUYFKLRS-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cc(Cl)cs1 ZINC000278501030 176337522 /nfs/dbraw/zinc/33/75/22/176337522.db2.gz VMQJGXCUYFKLRS-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1COCC[C@@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000192687839 176342042 /nfs/dbraw/zinc/34/20/42/176342042.db2.gz STKRKIOKPSLUBR-RISCZKNCSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]1CSCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000277530236 176350133 /nfs/dbraw/zinc/35/01/33/176350133.db2.gz YGWSGXMWFODVMO-JTQLQIEISA-N 1 2 249.383 2.543 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000069760908 176351429 /nfs/dbraw/zinc/35/14/29/176351429.db2.gz PODQWOIVTIJFJI-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000069760908 176351430 /nfs/dbraw/zinc/35/14/30/176351430.db2.gz PODQWOIVTIJFJI-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1cccc(F)c1F ZINC000172592563 176351475 /nfs/dbraw/zinc/35/14/75/176351475.db2.gz ONKJVXCUQGEABX-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1cccc(F)c1F ZINC000172592563 176351476 /nfs/dbraw/zinc/35/14/76/176351476.db2.gz ONKJVXCUQGEABX-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc[nH]n1 ZINC000295106564 176360324 /nfs/dbraw/zinc/36/03/24/176360324.db2.gz VPYMXJHNYUSQNR-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc[nH]n1 ZINC000295106564 176360326 /nfs/dbraw/zinc/36/03/26/176360326.db2.gz VPYMXJHNYUSQNR-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000336364420 176364225 /nfs/dbraw/zinc/36/42/25/176364225.db2.gz GRGMMEGPGPIFAU-NXEZZACHSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)O1 ZINC000294637073 176380753 /nfs/dbraw/zinc/38/07/53/176380753.db2.gz ATBVNBYROHZDDC-JTNHKYCSSA-N 1 2 234.343 2.730 20 0 BFADLO c1n[nH]c2c1C[N@H+](C[C@@H]1CC=CCC1)CCC2 ZINC000668841859 487634108 /nfs/dbraw/zinc/63/41/08/487634108.db2.gz RYPOVLZSMOKPEC-GFCCVEGCSA-N 1 2 231.343 2.514 20 0 BFADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CC=CCC1)CCC2 ZINC000668841859 487634114 /nfs/dbraw/zinc/63/41/14/487634114.db2.gz RYPOVLZSMOKPEC-GFCCVEGCSA-N 1 2 231.343 2.514 20 0 BFADLO Cc1occc1C[NH2+]Cc1cc(C(C)C)no1 ZINC000666275029 487636435 /nfs/dbraw/zinc/63/64/35/487636435.db2.gz RHBQQFOGNLIJNP-UHFFFAOYSA-N 1 2 234.299 2.989 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1ccno1)C1CC1 ZINC000267924217 177048686 /nfs/dbraw/zinc/04/86/86/177048686.db2.gz JXQWWEPABQNZKV-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1ccno1)C1CC1 ZINC000267924217 177048688 /nfs/dbraw/zinc/04/86/88/177048688.db2.gz JXQWWEPABQNZKV-SNVBAGLBSA-N 1 2 232.283 2.993 20 0 BFADLO C[C@H](c1cnccn1)[N@H+](C)Cc1ccccc1F ZINC000184395971 177051103 /nfs/dbraw/zinc/05/11/03/177051103.db2.gz RCOBBHNJJRKINW-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1cnccn1)[N@@H+](C)Cc1ccccc1F ZINC000184395971 177051105 /nfs/dbraw/zinc/05/11/05/177051105.db2.gz RCOBBHNJJRKINW-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336254028 177052440 /nfs/dbraw/zinc/05/24/40/177052440.db2.gz IVRPUHZKMYLMQL-HTQZYQBOSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336254028 177052442 /nfs/dbraw/zinc/05/24/42/177052442.db2.gz IVRPUHZKMYLMQL-HTQZYQBOSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)n2C)CC[C@@H]1C ZINC000179683858 177168174 /nfs/dbraw/zinc/16/81/74/177168174.db2.gz LNYOGXOTGNGWHJ-UWVGGRQHSA-N 1 2 241.766 2.551 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc(Cl)n2C)CC[C@@H]1C ZINC000179683858 177168175 /nfs/dbraw/zinc/16/81/75/177168175.db2.gz LNYOGXOTGNGWHJ-UWVGGRQHSA-N 1 2 241.766 2.551 20 0 BFADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000276843174 177171905 /nfs/dbraw/zinc/17/19/05/177171905.db2.gz CPXUGCHXPAKFNM-JTQLQIEISA-N 1 2 247.367 2.895 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302508892 177194176 /nfs/dbraw/zinc/19/41/76/177194176.db2.gz FQTDGPRYWNPPJK-CMPLNLGQSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302508892 177194178 /nfs/dbraw/zinc/19/41/78/177194178.db2.gz FQTDGPRYWNPPJK-CMPLNLGQSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1cccc(F)c1F ZINC000172592566 177305176 /nfs/dbraw/zinc/30/51/76/177305176.db2.gz ONKJVXCUQGEABX-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1cccc(F)c1F ZINC000172592566 177305177 /nfs/dbraw/zinc/30/51/77/177305177.db2.gz ONKJVXCUQGEABX-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000295088860 177309304 /nfs/dbraw/zinc/30/93/04/177309304.db2.gz SXAFOJDTXHISNF-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000295088860 177309305 /nfs/dbraw/zinc/30/93/05/177309305.db2.gz SXAFOJDTXHISNF-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2cc[nH+]c3ccncc32)C1 ZINC000336363869 177316874 /nfs/dbraw/zinc/31/68/74/177316874.db2.gz YBSZZQGCIGNNQG-MNOVXSKESA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)CCO1 ZINC000271417173 177325634 /nfs/dbraw/zinc/32/56/34/177325634.db2.gz ULGHKMUHLAPVCM-QWRGUYRKSA-N 1 2 247.342 2.581 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000668844101 487638622 /nfs/dbraw/zinc/63/86/22/487638622.db2.gz AMZDWPWXFMCVAU-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1ccsc1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000668844101 487638625 /nfs/dbraw/zinc/63/86/25/487638625.db2.gz AMZDWPWXFMCVAU-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1nc(N2CC[C@@H](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000474787104 225121009 /nfs/dbraw/zinc/12/10/09/225121009.db2.gz FRRLWAMLRDLIFJ-CYBMUJFWSA-N 1 2 233.359 2.884 20 0 BFADLO CN(CCOc1ccccc1)c1cc[nH+]cc1F ZINC000678788938 487643764 /nfs/dbraw/zinc/64/37/64/487643764.db2.gz RDYSPAXQVNSGAQ-UHFFFAOYSA-N 1 2 246.285 2.736 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000492870973 226071849 /nfs/dbraw/zinc/07/18/49/226071849.db2.gz WSRVAUISPPDZQQ-PLNGDYQASA-N 1 2 245.257 2.509 20 0 BFADLO C[C@H]1CC[N@H+](CCOC(C)(C)C)CC1(F)F ZINC000494220755 226262271 /nfs/dbraw/zinc/26/22/71/226262271.db2.gz RZYWNEYHOAZTDE-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO C[C@H]1CC[N@@H+](CCOC(C)(C)C)CC1(F)F ZINC000494220755 226262272 /nfs/dbraw/zinc/26/22/72/226262272.db2.gz RZYWNEYHOAZTDE-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO Cc1nccc(C[N@@H+](C)[C@@H](C)c2ccco2)n1 ZINC000507192191 226367118 /nfs/dbraw/zinc/36/71/18/226367118.db2.gz RGCHMVMPZZIFBI-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nccc(C[N@H+](C)[C@@H](C)c2ccco2)n1 ZINC000507192191 226367119 /nfs/dbraw/zinc/36/71/19/226367119.db2.gz RGCHMVMPZZIFBI-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CC3(CC3)C2)c(C)[nH+]1 ZINC000335590434 487652978 /nfs/dbraw/zinc/65/29/78/487652978.db2.gz NZVIGRVFJNJRHO-UHFFFAOYSA-N 1 2 245.326 2.635 20 0 BFADLO c1ccc(NCc2n[nH]c3ccccc23)[nH+]c1 ZINC000675049895 487665989 /nfs/dbraw/zinc/66/59/89/487665989.db2.gz RIZXDSAUNPVECM-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO c1ccc(NCc2[nH]nc3ccccc32)[nH+]c1 ZINC000675049895 487665993 /nfs/dbraw/zinc/66/59/93/487665993.db2.gz RIZXDSAUNPVECM-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000228505578 487667444 /nfs/dbraw/zinc/66/74/44/487667444.db2.gz UFSQHUHHDGSUGX-BDAKNGLRSA-N 1 2 229.270 2.999 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C(F)F)s1 ZINC000228511649 487668623 /nfs/dbraw/zinc/66/86/23/487668623.db2.gz AMJGGRZFVRAHOU-SSDOTTSWSA-N 1 2 205.273 2.800 20 0 BFADLO COCc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000228507656 487668759 /nfs/dbraw/zinc/66/87/59/487668759.db2.gz QFAVDWAYQTYRCE-SECBINFHSA-N 1 2 229.270 2.576 20 0 BFADLO COc1cc(C)ccc1[NH2+]CC[C@@H]1CCOC1 ZINC000400689070 533683648 /nfs/dbraw/zinc/68/36/48/533683648.db2.gz LRIFWVXZYXKQDY-GFCCVEGCSA-N 1 2 235.327 2.842 20 0 BFADLO CC[C@@H]1OCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000665740107 487681305 /nfs/dbraw/zinc/68/13/05/487681305.db2.gz UEFOTKVPWPJYEF-MNOVXSKESA-N 1 2 249.358 2.754 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C(C)(CC)CC ZINC000680999841 487690844 /nfs/dbraw/zinc/69/08/44/487690844.db2.gz HVJWVUXGHGGYRN-UHFFFAOYSA-N 1 2 234.343 2.831 20 0 BFADLO COc1ccc[nH+]c1N1CCC(C)(C)CC1 ZINC000527877766 262889827 /nfs/dbraw/zinc/88/98/27/262889827.db2.gz ABGYRPZQAZWEGB-UHFFFAOYSA-N 1 2 220.316 2.717 20 0 BFADLO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000397927869 262940443 /nfs/dbraw/zinc/94/04/43/262940443.db2.gz CEJMSUONQMGTPM-VIFPVBQESA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C2CCCC2)c(C)c[nH+]1 ZINC000676588367 487699331 /nfs/dbraw/zinc/69/93/31/487699331.db2.gz YGNMFFHXJDUXKB-GFCCVEGCSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C1CCC1 ZINC000120790967 490068793 /nfs/dbraw/zinc/06/87/93/490068793.db2.gz CVIKSDDMFVTKMB-JTQLQIEISA-N 1 2 233.315 2.700 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2CC23CCC3)c(C)[nH+]1 ZINC000675333978 487710479 /nfs/dbraw/zinc/71/04/79/487710479.db2.gz KEIPYGBGMKNXTL-LLVKDONJSA-N 1 2 230.311 2.827 20 0 BFADLO F[C@@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000902990393 584709428 /nfs/dbraw/zinc/70/94/28/584709428.db2.gz BBRNRKYAJHMHEA-SSDOTTSWSA-N 1 2 231.258 2.673 20 0 BFADLO F[C@@H]1CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000902990393 584709429 /nfs/dbraw/zinc/70/94/29/584709429.db2.gz BBRNRKYAJHMHEA-SSDOTTSWSA-N 1 2 231.258 2.673 20 0 BFADLO CCCc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000668422293 487727329 /nfs/dbraw/zinc/72/73/29/487727329.db2.gz XLZZUSFOSDFYDT-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCCc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000668422293 487727332 /nfs/dbraw/zinc/72/73/32/487727332.db2.gz XLZZUSFOSDFYDT-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO c1nc(C[NH2+]Cc2cnc(C3CCC3)s2)co1 ZINC000675470734 487738078 /nfs/dbraw/zinc/73/80/78/487738078.db2.gz IBZPIPUVEIFGIJ-UHFFFAOYSA-N 1 2 249.339 2.688 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cocn2)oc1C ZINC000309812910 487738451 /nfs/dbraw/zinc/73/84/51/487738451.db2.gz UQPYOLJEJDBDGB-VIFPVBQESA-N 1 2 220.272 2.735 20 0 BFADLO COC[C@H](C)CNc1c[nH+]cc2c1CCCC2 ZINC000668441948 487759952 /nfs/dbraw/zinc/75/99/52/487759952.db2.gz XSOAOKPJPGIENX-LLVKDONJSA-N 1 2 234.343 2.655 20 0 BFADLO CCOC1CC(Nc2c[nH+]cc3c2CCCC3)C1 ZINC000668441745 487760178 /nfs/dbraw/zinc/76/01/78/487760178.db2.gz VVUUUDGXUCQBHL-UHFFFAOYSA-N 1 2 246.354 2.940 20 0 BFADLO CC[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1[nH]cc[nH+]1 ZINC000682040972 487768681 /nfs/dbraw/zinc/76/86/81/487768681.db2.gz CXUOXFGFLDFJMF-CMPLNLGQSA-N 1 2 249.358 2.803 20 0 BFADLO COc1ccc(N[C@H]2CCC23CCC3)[nH+]c1 ZINC000309860676 487771095 /nfs/dbraw/zinc/77/10/95/487771095.db2.gz MIQRVLLVQNLNKU-NSHDSACASA-N 1 2 218.300 2.835 20 0 BFADLO Cc1ccc(NC(=O)N[C@@]23C[C@@H]2CCC3)c(C)[nH+]1 ZINC000666314059 487784476 /nfs/dbraw/zinc/78/44/76/487784476.db2.gz BCZWVJLHPLUFPI-FZMZJTMJSA-N 1 2 245.326 2.763 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@H]1F ZINC000679223759 487786507 /nfs/dbraw/zinc/78/65/07/487786507.db2.gz MTFDMFMPRVXXBD-WCQYABFASA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C[C@H]1F ZINC000679223759 487786510 /nfs/dbraw/zinc/78/65/10/487786510.db2.gz MTFDMFMPRVXXBD-WCQYABFASA-N 1 2 247.317 2.514 20 0 BFADLO Cc1noc(C)c1N(C)Cc1ccc(C)[nH+]c1C ZINC000681406630 487793594 /nfs/dbraw/zinc/79/35/94/487793594.db2.gz SWMIWXJWJSHZJC-UHFFFAOYSA-N 1 2 245.326 2.940 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000668478898 487806955 /nfs/dbraw/zinc/80/69/55/487806955.db2.gz JURAXFVIISMJHR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2ccc(C)cc2C1 ZINC000668478898 487806958 /nfs/dbraw/zinc/80/69/58/487806958.db2.gz JURAXFVIISMJHR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO C[C@@H]1CCN(Cc2[nH+]ccn2C)c2ccccc21 ZINC000076292481 487834804 /nfs/dbraw/zinc/83/48/04/487834804.db2.gz UFRZDVLDCFVXON-GFCCVEGCSA-N 1 2 241.338 2.934 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@H](C)[C@H](C)O1 ZINC000851967717 588648803 /nfs/dbraw/zinc/64/88/03/588648803.db2.gz DXDQARNTIHYACQ-HLTSFMKQSA-N 1 2 238.158 2.803 20 0 BFADLO FC(F)Oc1ccccc1CNc1c[nH]c[nH+]1 ZINC000558575618 322952025 /nfs/dbraw/zinc/95/20/25/322952025.db2.gz RNABFZWVBACPJS-UHFFFAOYSA-N 1 2 239.225 2.623 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCC(C)C ZINC000681755391 487856104 /nfs/dbraw/zinc/85/61/04/487856104.db2.gz STOWWGRECKLLNS-UHFFFAOYSA-N 1 2 209.337 2.586 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCC(C)C ZINC000681755391 487856108 /nfs/dbraw/zinc/85/61/08/487856108.db2.gz STOWWGRECKLLNS-UHFFFAOYSA-N 1 2 209.337 2.586 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1C=CCCC1 ZINC000121362395 487856313 /nfs/dbraw/zinc/85/63/13/487856313.db2.gz ZUJYYECVNYZYFM-NSHDSACASA-N 1 2 231.299 2.620 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@@H](C)C(C)(C)C ZINC000670263507 487863054 /nfs/dbraw/zinc/86/30/54/487863054.db2.gz UDQLMDKEIKPDCL-SNVBAGLBSA-N 1 2 237.334 2.882 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@@H](C)C(C)(C)C ZINC000670263507 487863058 /nfs/dbraw/zinc/86/30/58/487863058.db2.gz UDQLMDKEIKPDCL-SNVBAGLBSA-N 1 2 237.334 2.882 20 0 BFADLO CC[C@@H](C)c1csc(Cn2cc[nH+]c2)n1 ZINC000395585753 487863146 /nfs/dbraw/zinc/86/31/46/487863146.db2.gz XQQACSSMXDCSIX-SECBINFHSA-N 1 2 221.329 2.901 20 0 BFADLO c1cc2cc(NCc3ccncc3)[nH+]cc2[nH]1 ZINC000672140800 487868247 /nfs/dbraw/zinc/86/82/47/487868247.db2.gz KBSWKHKWIIQOAU-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)no1 ZINC000671111812 487875559 /nfs/dbraw/zinc/87/55/59/487875559.db2.gz RCUWHBLOYFSBGX-BDAKNGLRSA-N 1 2 249.314 3.000 20 0 BFADLO C[C@H]([NH2+]Cc1cncnc1)c1c(F)cccc1F ZINC000054767930 487896953 /nfs/dbraw/zinc/89/69/53/487896953.db2.gz BSMPDHHDHBBVDG-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CC(C)CCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682157377 487918182 /nfs/dbraw/zinc/91/81/82/487918182.db2.gz TYMJEZZTFGSYBJ-JTQLQIEISA-N 1 2 239.281 2.686 20 0 BFADLO CC(C)CCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000682157377 487918185 /nfs/dbraw/zinc/91/81/85/487918185.db2.gz TYMJEZZTFGSYBJ-JTQLQIEISA-N 1 2 239.281 2.686 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000676792503 487928966 /nfs/dbraw/zinc/92/89/66/487928966.db2.gz OUFWZPXTJRXANF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CCc2cn[nH]c2C1 ZINC000676792503 487928970 /nfs/dbraw/zinc/92/89/70/487928970.db2.gz OUFWZPXTJRXANF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1nnc([C@H](C)[NH+]2CCC(F)(F)CC2)s1 ZINC000669935328 487939833 /nfs/dbraw/zinc/93/98/33/487939833.db2.gz MSSRYKBXIGXELA-ZETCQYMHSA-N 1 2 247.314 2.639 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1COC(C)(C)C1 ZINC000651980014 487942681 /nfs/dbraw/zinc/94/26/81/487942681.db2.gz WOKUJWUHQOHCCT-NSHDSACASA-N 1 2 220.316 2.623 20 0 BFADLO Cc1cc(C)c(NC(=O)c2ccsn2)c(C)[nH+]1 ZINC000560624701 322991103 /nfs/dbraw/zinc/99/11/03/322991103.db2.gz UYIPGVFSEKTZKD-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C(C)C)C1 ZINC000566487075 323001543 /nfs/dbraw/zinc/00/15/43/323001543.db2.gz TZQNWNZFNNBCTI-GFCCVEGCSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1ncc(CNc2ccc(N(C)C)c[nH+]2)s1 ZINC000150909823 323002452 /nfs/dbraw/zinc/00/24/52/323002452.db2.gz YXPUICVFROLAPZ-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2)o1 ZINC000561494126 323002977 /nfs/dbraw/zinc/00/29/77/323002977.db2.gz RZOGIGCPVLEFDW-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000562734939 323029435 /nfs/dbraw/zinc/02/94/35/323029435.db2.gz RITBDGPDJGUNPN-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000570664783 323066372 /nfs/dbraw/zinc/06/63/72/323066372.db2.gz ABQUSLYIIHIHBV-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000570664783 323066373 /nfs/dbraw/zinc/06/63/73/323066373.db2.gz ABQUSLYIIHIHBV-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO C[C@H](C1CC1)[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608045 323077316 /nfs/dbraw/zinc/07/73/16/323077316.db2.gz UVQVTHIANHQXLM-SECBINFHSA-N 1 2 247.342 2.710 20 0 BFADLO C[C@H](C1CC1)[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000053608045 323077317 /nfs/dbraw/zinc/07/73/17/323077317.db2.gz UVQVTHIANHQXLM-SECBINFHSA-N 1 2 247.342 2.710 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C2CCCC2)no1 ZINC000053605080 323077403 /nfs/dbraw/zinc/07/74/03/323077403.db2.gz IETGBCZFHMKEPC-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C2CCCC2)no1 ZINC000053605080 323077404 /nfs/dbraw/zinc/07/74/04/323077404.db2.gz IETGBCZFHMKEPC-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO c1nc2cc(CNc3cccc[nH+]3)ccc2[nH]1 ZINC000531548706 323109523 /nfs/dbraw/zinc/10/95/23/323109523.db2.gz IXHJEWKQXHUMHI-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO c1nc2ccc(CNc3cccc[nH+]3)cc2[nH]1 ZINC000531548706 323109524 /nfs/dbraw/zinc/10/95/24/323109524.db2.gz IXHJEWKQXHUMHI-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000110058627 323112720 /nfs/dbraw/zinc/11/27/20/323112720.db2.gz VSPICGFJKUBTOC-CQSZACIVSA-N 1 2 245.301 2.634 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)C1CCCCC1 ZINC000047976168 323112981 /nfs/dbraw/zinc/11/29/81/323112981.db2.gz UIBRXTBKHXDPJJ-UHFFFAOYSA-N 1 2 247.342 2.666 20 0 BFADLO CC(C)CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000047975880 323113061 /nfs/dbraw/zinc/11/30/61/323113061.db2.gz XENQYZHLLMPGNL-UHFFFAOYSA-N 1 2 235.331 2.522 20 0 BFADLO Cc1cscc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000571215222 323138095 /nfs/dbraw/zinc/13/80/95/323138095.db2.gz ZLQDFLKFFUOOGV-SNVBAGLBSA-N 1 2 249.339 2.843 20 0 BFADLO Cc1cc(C[NH2+]Cc2cnc(C3CC3)s2)no1 ZINC000531885726 323152683 /nfs/dbraw/zinc/15/26/83/323152683.db2.gz YWIMIFOAMHHVAP-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCC[C@H](C)C2)c(C)c[nH+]1 ZINC000535036502 323164254 /nfs/dbraw/zinc/16/42/54/323164254.db2.gz XLPLMDBYTMWSAE-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)CC(C)C)c(C)c[nH+]1 ZINC000535061575 323164833 /nfs/dbraw/zinc/16/48/33/323164833.db2.gz CIOFNSGIBPHXST-GFCCVEGCSA-N 1 2 249.358 2.676 20 0 BFADLO C[C@H]1C[N@H+](Cc2nnsc2Cl)C(C)(C)C1 ZINC000306176588 323172474 /nfs/dbraw/zinc/17/24/74/323172474.db2.gz WMRKGUOJMQXYHC-SSDOTTSWSA-N 1 2 245.779 2.812 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nnsc2Cl)C(C)(C)C1 ZINC000306176588 323172475 /nfs/dbraw/zinc/17/24/75/323172475.db2.gz WMRKGUOJMQXYHC-SSDOTTSWSA-N 1 2 245.779 2.812 20 0 BFADLO Cn1ccc2c1cccc2NCc1[nH+]ccn1C ZINC000532079940 323172517 /nfs/dbraw/zinc/17/25/17/323172517.db2.gz NXZSWTOARVKYSY-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO CC(C)c1nc(N[C@H]2CCC[C@@H](F)C2)cc[nH+]1 ZINC000563885825 323183242 /nfs/dbraw/zinc/18/32/42/323183242.db2.gz XPOGOVLYKGXKOX-MNOVXSKESA-N 1 2 237.322 2.715 20 0 BFADLO FC(F)CC1C[NH+](Cc2ccncc2Cl)C1 ZINC000529610987 323185361 /nfs/dbraw/zinc/18/53/61/323185361.db2.gz HILDLNABPHFSHF-UHFFFAOYSA-N 1 2 246.688 2.822 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccncc2)o1 ZINC000535667681 323188200 /nfs/dbraw/zinc/18/82/00/323188200.db2.gz NLASZSUDYHQCNY-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccncc2)o1 ZINC000535667681 323188201 /nfs/dbraw/zinc/18/82/01/323188201.db2.gz NLASZSUDYHQCNY-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C/C(C)(C)C ZINC000114255184 323193170 /nfs/dbraw/zinc/19/31/70/323193170.db2.gz WMNYCGBJZCQNJH-FNORWQNLSA-N 1 2 234.299 2.631 20 0 BFADLO CCCN(c1cc[nH+]c(C2CC2)n1)C(C)C ZINC000563898708 323207563 /nfs/dbraw/zinc/20/75/63/323207563.db2.gz OYLBZEGWGQSCBG-UHFFFAOYSA-N 1 2 219.332 2.979 20 0 BFADLO CCc1cccc2c1N(Cc1[nH+]ccn1C)CC2 ZINC000532715785 323291884 /nfs/dbraw/zinc/29/18/84/323291884.db2.gz ZOOVDWFUIOSZGO-UHFFFAOYSA-N 1 2 241.338 2.545 20 0 BFADLO Cc1ccc(CC(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000532803663 323299474 /nfs/dbraw/zinc/29/94/74/323299474.db2.gz LHVCSBDKPNVZTG-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000122971699 324070409 /nfs/dbraw/zinc/07/04/09/324070409.db2.gz GKFGZYCCADBQFC-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccoc1 ZINC000521196204 324178436 /nfs/dbraw/zinc/17/84/36/324178436.db2.gz PKAFIFIJOQCNGN-MNOVXSKESA-N 1 2 233.315 2.908 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000521196206 324178449 /nfs/dbraw/zinc/17/84/49/324178449.db2.gz PKAFIFIJOQCNGN-WDEREUQCSA-N 1 2 233.315 2.908 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccncc2C)C1 ZINC000529639367 324368717 /nfs/dbraw/zinc/36/87/17/324368717.db2.gz BOEABCLMLJIIHV-UHFFFAOYSA-N 1 2 248.370 2.779 20 0 BFADLO Cc1nc(N2CCC23CCC3)c2c([nH+]1)CCCC2 ZINC000541091010 324946734 /nfs/dbraw/zinc/94/67/34/324946734.db2.gz RZEULYBFKBXOEA-UHFFFAOYSA-N 1 2 243.354 2.797 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](c2cccnc2)C2CC2)o1 ZINC000541589744 324966833 /nfs/dbraw/zinc/96/68/33/324966833.db2.gz KXZZCKLEYYNMHQ-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO CC[C@H]([NH2+]Cc1ccno1)c1c(C)noc1C ZINC000541638502 324970269 /nfs/dbraw/zinc/97/02/69/324970269.db2.gz LNNYNYNZOFIRKI-NSHDSACASA-N 1 2 235.287 2.520 20 0 BFADLO CC[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000129954899 324996744 /nfs/dbraw/zinc/99/67/44/324996744.db2.gz ZHMKOBSFOHVKRF-QWRGUYRKSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1n[nH]cc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000541993841 325002551 /nfs/dbraw/zinc/00/25/51/325002551.db2.gz ATZATURCUAXQLO-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO COC(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000130253324 325030674 /nfs/dbraw/zinc/03/06/74/325030674.db2.gz LTYGPPKKRLLKBO-UHFFFAOYSA-N 1 2 247.338 2.609 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1ccnn1C)C1CC1 ZINC000130335637 325042530 /nfs/dbraw/zinc/04/25/30/325042530.db2.gz VLAIFPQATCKLJQ-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1ccnn1C)C1CC1 ZINC000130335637 325042534 /nfs/dbraw/zinc/04/25/34/325042534.db2.gz VLAIFPQATCKLJQ-LLVKDONJSA-N 1 2 245.326 2.739 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccc1F)c1ccn(C)n1 ZINC000543602618 325096387 /nfs/dbraw/zinc/09/63/87/325096387.db2.gz FPILENRROIHKPZ-CYBMUJFWSA-N 1 2 247.317 2.800 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1ccc(C)cc1 ZINC000131382043 325144502 /nfs/dbraw/zinc/14/45/02/325144502.db2.gz ONANXTZMRLQBSH-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000544518162 325145811 /nfs/dbraw/zinc/14/58/11/325145811.db2.gz WIUXRIVRZYWKQG-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2C)o1 ZINC000544518156 325145905 /nfs/dbraw/zinc/14/59/05/325145905.db2.gz WIUXRIVRZYWKQG-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000131758423 325182050 /nfs/dbraw/zinc/18/20/50/325182050.db2.gz MBAOICUABMMFCW-GFCCVEGCSA-N 1 2 245.326 2.567 20 0 BFADLO C[N@H+](Cc1nccn1Cc1ccccc1)C1CC1 ZINC000073617394 325206724 /nfs/dbraw/zinc/20/67/24/325206724.db2.gz PWJRAIOICXJOGC-UHFFFAOYSA-N 1 2 241.338 2.526 20 0 BFADLO C[N@@H+](Cc1nccn1Cc1ccccc1)C1CC1 ZINC000073617394 325206727 /nfs/dbraw/zinc/20/67/27/325206727.db2.gz PWJRAIOICXJOGC-UHFFFAOYSA-N 1 2 241.338 2.526 20 0 BFADLO CCCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000073966380 325220250 /nfs/dbraw/zinc/22/02/50/325220250.db2.gz BXBGFJHPAOXGAY-UHFFFAOYSA-N 1 2 206.289 2.909 20 0 BFADLO Cc1cc(C)nc(SCCn2cc[nH+]c2)c1 ZINC000682452247 487967253 /nfs/dbraw/zinc/96/72/53/487967253.db2.gz NRMFOHSBWKQERI-UHFFFAOYSA-N 1 2 233.340 2.687 20 0 BFADLO Cc1ccc(-c2cc(Cn3cc[nH+]c3)on2)cc1 ZINC000075682137 325306471 /nfs/dbraw/zinc/30/64/71/325306471.db2.gz MVUGOJYTQXVJOI-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000075768901 325311134 /nfs/dbraw/zinc/31/11/34/325311134.db2.gz KPVDYWMYJLTKQF-ZYHUDNBSSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000075768901 325311136 /nfs/dbraw/zinc/31/11/36/325311136.db2.gz KPVDYWMYJLTKQF-ZYHUDNBSSA-N 1 2 247.342 2.712 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCC(C)(C)C2)no1 ZINC000076012821 325325254 /nfs/dbraw/zinc/32/52/54/325325254.db2.gz APUMCZYJBYOHAP-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCC(C)(C)C2)no1 ZINC000076012821 325325256 /nfs/dbraw/zinc/32/52/56/325325256.db2.gz APUMCZYJBYOHAP-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO COC[C@@H](CC(C)C)Nc1[nH+]cccc1OC ZINC000547544773 325372001 /nfs/dbraw/zinc/37/20/01/325372001.db2.gz NWBRYIQMCIUDIX-LLVKDONJSA-N 1 2 238.331 2.563 20 0 BFADLO CC1(C)CC(CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000547709195 325386836 /nfs/dbraw/zinc/38/68/36/325386836.db2.gz IKJLSRAJSMDLSM-UHFFFAOYSA-N 1 2 231.343 2.624 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CC12CCCC2)c1[nH]cc[nH+]1 ZINC000547750141 325391483 /nfs/dbraw/zinc/39/14/83/325391483.db2.gz WNLKMXBSWAHYFR-MNOVXSKESA-N 1 2 247.342 2.557 20 0 BFADLO CCn1cc[nH+]c1/C=C/C(=O)NC(C)(CC)CC ZINC000137067604 325476744 /nfs/dbraw/zinc/47/67/44/325476744.db2.gz OYFQFDNHRXLTJE-CMDGGOBGSA-N 1 2 249.358 2.611 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)c1cc(C)ccn1 ZINC000552289650 325617708 /nfs/dbraw/zinc/61/77/08/325617708.db2.gz GATJNUYOWYUSRY-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000565521933 325922355 /nfs/dbraw/zinc/92/23/55/325922355.db2.gz GISLVPOHLRKRGG-UHFFFAOYSA-N 1 2 243.301 2.743 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566469305 326052646 /nfs/dbraw/zinc/05/26/46/326052646.db2.gz DAVQGTAYANOCIO-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO CCc1occc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000567055995 326108405 /nfs/dbraw/zinc/10/84/05/326108405.db2.gz GIRBCOCRCSGORE-UHFFFAOYSA-N 1 2 244.294 2.528 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000154508892 326147511 /nfs/dbraw/zinc/14/75/11/326147511.db2.gz JKRIISCFCQJKDW-LLVKDONJSA-N 1 2 232.327 2.991 20 0 BFADLO CC(=Cc1ccccc1)CNc1c[nH]c[nH+]1 ZINC000309718026 326165340 /nfs/dbraw/zinc/16/53/40/326165340.db2.gz ZOUQVVINYJBRFG-YRNVUSSQSA-N 1 2 213.284 2.925 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567367012 326175357 /nfs/dbraw/zinc/17/53/57/326175357.db2.gz QQLWDQYLZSHYBP-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO CCCC[C@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568070328 326304063 /nfs/dbraw/zinc/30/40/63/326304063.db2.gz MJWYNCHHOGBKJT-JTQLQIEISA-N 1 2 237.347 2.587 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@H]1C ZINC000568243648 326333507 /nfs/dbraw/zinc/33/35/07/326333507.db2.gz JBLOSKJSIYSBRN-KCJUWKMLSA-N 1 2 205.305 2.694 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000568275994 326340022 /nfs/dbraw/zinc/34/00/22/326340022.db2.gz CULKRGFVZPUIHW-LLVKDONJSA-N 1 2 233.340 2.779 20 0 BFADLO c1[nH]cc(NCc2cccc(C3CC3)c2)[nH+]1 ZINC000568379600 326351489 /nfs/dbraw/zinc/35/14/89/326351489.db2.gz YJEXUFTZYGQZIA-UHFFFAOYSA-N 1 2 213.284 2.899 20 0 BFADLO CCc1noc(C)c1C[NH+]1CC(C(F)(F)F)C1 ZINC000568715245 326373073 /nfs/dbraw/zinc/37/30/73/326373073.db2.gz TYPQSUGSGYQWSY-UHFFFAOYSA-N 1 2 248.248 2.540 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@H+](Cc2cocn2)C1 ZINC000569023702 326387184 /nfs/dbraw/zinc/38/71/84/326387184.db2.gz VIRQBLNKZUOHGG-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@@H+](Cc2cocn2)C1 ZINC000569023702 326387185 /nfs/dbraw/zinc/38/71/85/326387185.db2.gz VIRQBLNKZUOHGG-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO CCc1nc(C[NH2+]C2(CF)CCC2)cs1 ZINC000572761808 326409447 /nfs/dbraw/zinc/40/94/47/326409447.db2.gz HDDMNXBPTIAAQE-UHFFFAOYSA-N 1 2 228.336 2.687 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccoc1)C(F)F ZINC000572952235 326420467 /nfs/dbraw/zinc/42/04/67/326420467.db2.gz SIGIMRAPDOXNNK-IONNQARKSA-N 1 2 203.232 2.974 20 0 BFADLO CCCC[C@H](CC)C[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546136 487985129 /nfs/dbraw/zinc/98/51/29/487985129.db2.gz HOLOQHQGJPSMPA-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCCC[C@H](CC)C[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682546136 487985133 /nfs/dbraw/zinc/98/51/33/487985133.db2.gz HOLOQHQGJPSMPA-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCCC[C@@H](CC)C[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546138 487985164 /nfs/dbraw/zinc/98/51/64/487985164.db2.gz HOLOQHQGJPSMPA-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCCC[C@@H](CC)C[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682546138 487985170 /nfs/dbraw/zinc/98/51/70/487985170.db2.gz HOLOQHQGJPSMPA-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@H](C)Nc1cc(NC2CC2)nc[nH+]1 ZINC000665690213 487988015 /nfs/dbraw/zinc/98/80/15/487988015.db2.gz AWIXOZLPNBYFTR-VIFPVBQESA-N 1 2 220.320 2.651 20 0 BFADLO CCC[C@H](C)Nc1cc(NC2CC2)[nH+]cn1 ZINC000665690213 487988024 /nfs/dbraw/zinc/98/80/24/487988024.db2.gz AWIXOZLPNBYFTR-VIFPVBQESA-N 1 2 220.320 2.651 20 0 BFADLO Cc1ccc(CC2C[NH+](Cc3cocn3)C2)cc1 ZINC000668609019 488002007 /nfs/dbraw/zinc/00/20/07/488002007.db2.gz YPRAELOYQFJNTQ-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO CCCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147395612 488012898 /nfs/dbraw/zinc/01/28/98/488012898.db2.gz XTTNBAHVTLAUFC-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO CCOC1CC(CCNc2cc(CC)[nH+]cn2)C1 ZINC000682720798 488026359 /nfs/dbraw/zinc/02/63/59/488026359.db2.gz BKILWUNEGJJQCT-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CC=C(C)CC2)cc[nH+]1 ZINC000668634715 488033934 /nfs/dbraw/zinc/03/39/34/488033934.db2.gz CMIFNTOJNMNVJU-HNNXBMFYSA-N 1 2 244.338 2.887 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC3(CC3)C2)cc[nH+]1 ZINC000668635585 488034553 /nfs/dbraw/zinc/03/45/53/488034553.db2.gz LNPZDDFIDDUBGB-GFCCVEGCSA-N 1 2 244.338 2.721 20 0 BFADLO CC1(C)CC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000668638035 488037794 /nfs/dbraw/zinc/03/77/94/488037794.db2.gz YWPYSNJFPAODFA-LLVKDONJSA-N 1 2 243.310 2.709 20 0 BFADLO CC1(C)CC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000668638036 488037807 /nfs/dbraw/zinc/03/78/07/488037807.db2.gz YWPYSNJFPAODFA-NSHDSACASA-N 1 2 243.310 2.709 20 0 BFADLO CCCn1nccc1C[N@H+](CC)Cc1ccoc1 ZINC000667583984 488053519 /nfs/dbraw/zinc/05/35/19/488053519.db2.gz PWBYBHOZLNDTJP-UHFFFAOYSA-N 1 2 247.342 2.908 20 0 BFADLO CCCn1nccc1C[N@@H+](CC)Cc1ccoc1 ZINC000667583984 488053521 /nfs/dbraw/zinc/05/35/21/488053521.db2.gz PWBYBHOZLNDTJP-UHFFFAOYSA-N 1 2 247.342 2.908 20 0 BFADLO FC(F)C[NH2+]Cc1nccc2ccccc21 ZINC000147726755 488054674 /nfs/dbraw/zinc/05/46/74/488054674.db2.gz ONGNLOPMJROCRR-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO CC[C@@H](N[C@H]1CCCC1(F)F)c1[nH+]ccn1C ZINC000672622905 488077053 /nfs/dbraw/zinc/07/70/53/488077053.db2.gz YHPSUAQMZZSJBE-ZJUUUORDSA-N 1 2 243.301 2.649 20 0 BFADLO CC[C@](C)(CNc1c[nH+]cc(C)c1)OC ZINC000319944908 488081188 /nfs/dbraw/zinc/08/11/88/488081188.db2.gz USMDHZNADWYXTF-GFCCVEGCSA-N 1 2 208.305 2.617 20 0 BFADLO Cn1cc[nH+]c1-c1cccc(N2CCCC2)c1 ZINC000656369585 488082255 /nfs/dbraw/zinc/08/22/55/488082255.db2.gz FSTFKYJADMTTKG-UHFFFAOYSA-N 1 2 227.311 2.687 20 0 BFADLO CC(C)(C)CCNc1ccc(-n2cncn2)c[nH+]1 ZINC000683000513 488083772 /nfs/dbraw/zinc/08/37/72/488083772.db2.gz CBVDCDFHTSFYTN-UHFFFAOYSA-N 1 2 245.330 2.510 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1ncc(C)cn1 ZINC000677681275 488093142 /nfs/dbraw/zinc/09/31/42/488093142.db2.gz UXTIBQCAPQQZIW-UHFFFAOYSA-N 1 2 247.264 2.559 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1ncc(C)cn1 ZINC000677681275 488093145 /nfs/dbraw/zinc/09/31/45/488093145.db2.gz UXTIBQCAPQQZIW-UHFFFAOYSA-N 1 2 247.264 2.559 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000682546974 488116596 /nfs/dbraw/zinc/11/65/96/488116596.db2.gz GKFKWJAUFWONIN-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2C[C@@H](O)CC(F)(F)C2)C1 ZINC000682546974 488116603 /nfs/dbraw/zinc/11/66/03/488116603.db2.gz GKFKWJAUFWONIN-UTUOFQBUSA-N 1 2 247.329 2.515 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC3)C2)c(F)c1 ZINC000334742629 487553920 /nfs/dbraw/zinc/55/39/20/487553920.db2.gz LVTOZFFGOICPAM-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO CCc1nc(C[NH2+][C@@H]2CCC[C@H]2F)cs1 ZINC000339583249 487471073 /nfs/dbraw/zinc/47/10/73/487471073.db2.gz HUAYPOZMCSVYFP-NXEZZACHSA-N 1 2 228.336 2.686 20 0 BFADLO Fc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CC2 ZINC000673932604 487492154 /nfs/dbraw/zinc/49/21/54/487492154.db2.gz BYUXKDAKYWSVON-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO CCc1cc(NCCC2CC(F)(F)C2)nc[nH+]1 ZINC000665724023 487494791 /nfs/dbraw/zinc/49/47/91/487494791.db2.gz OAUFMECGOVVCRW-UHFFFAOYSA-N 1 2 241.285 2.886 20 0 BFADLO Cn1cc[nH+]c1CN1CC[C@H]1c1cccc(F)c1 ZINC000674008869 487497927 /nfs/dbraw/zinc/49/79/27/487497927.db2.gz DOMYHUXZLUOFDH-ZDUSSCGKSA-N 1 2 245.301 2.506 20 0 BFADLO CC(C)(C)c1nc(NCc2ccoc2)cc[nH+]1 ZINC000674063486 487506391 /nfs/dbraw/zinc/50/63/91/487506391.db2.gz CJTWKJCUQKHHFU-UHFFFAOYSA-N 1 2 231.299 2.979 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2c[nH+]cc(C)c2)CCO1 ZINC000232074208 487502345 /nfs/dbraw/zinc/50/23/45/487502345.db2.gz BASXUMAPMUGLHK-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccsc2)nc1 ZINC000381527682 487511274 /nfs/dbraw/zinc/51/12/74/487511274.db2.gz XNJYERDXMPTXCZ-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@H]1CC[C@@]2(CC[N@H+](CC(F)F)C2)C1 ZINC000679833376 487897268 /nfs/dbraw/zinc/89/72/68/487897268.db2.gz ACNXMUJUOCBLFN-GXSJLCMTSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@H]1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1 ZINC000679833376 487897273 /nfs/dbraw/zinc/89/72/73/487897273.db2.gz ACNXMUJUOCBLFN-GXSJLCMTSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@H]1CC[C@]2(CC[N@H+](CC(F)F)C2)C1 ZINC000679833379 487897286 /nfs/dbraw/zinc/89/72/86/487897286.db2.gz ACNXMUJUOCBLFN-ONGXEEELSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@H]1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1 ZINC000679833379 487897287 /nfs/dbraw/zinc/89/72/87/487897287.db2.gz ACNXMUJUOCBLFN-ONGXEEELSA-N 1 2 203.276 2.764 20 0 BFADLO CCC[C@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000677501934 488053761 /nfs/dbraw/zinc/05/37/61/488053761.db2.gz PCUUZEIPYVJRIE-JTQLQIEISA-N 1 2 234.347 2.899 20 0 BFADLO CCC[C@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000677501934 488053766 /nfs/dbraw/zinc/05/37/66/488053766.db2.gz PCUUZEIPYVJRIE-JTQLQIEISA-N 1 2 234.347 2.899 20 0 BFADLO CC(C)CCCNc1ccc(-n2cncn2)c[nH+]1 ZINC000683001607 488083182 /nfs/dbraw/zinc/08/31/82/488083182.db2.gz VCCMINDXHMVFHF-UHFFFAOYSA-N 1 2 245.330 2.510 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cocn1 ZINC000683354544 488152888 /nfs/dbraw/zinc/15/28/88/488152888.db2.gz BKASYWPHVJPPFW-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cocn1 ZINC000683354544 488152892 /nfs/dbraw/zinc/15/28/92/488152892.db2.gz BKASYWPHVJPPFW-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)Cc2cn[nH]c2)o1 ZINC000678127021 488201699 /nfs/dbraw/zinc/20/16/99/488201699.db2.gz ANXXDIKNSAHKCF-ZWNOBZJWSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)Cc2cn[nH]c2)o1 ZINC000678127021 488201702 /nfs/dbraw/zinc/20/17/02/488201702.db2.gz ANXXDIKNSAHKCF-ZWNOBZJWSA-N 1 2 245.326 2.758 20 0 BFADLO CC1C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000668093244 488201773 /nfs/dbraw/zinc/20/17/73/488201773.db2.gz FILPDTKMKOYLGF-UHFFFAOYSA-N 1 2 215.218 2.556 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)CCCC2 ZINC000231549749 488213386 /nfs/dbraw/zinc/21/33/86/488213386.db2.gz HFQRTHUPHOQYCO-UHFFFAOYSA-N 1 2 212.296 2.966 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCc1ccccc1F ZINC000678212087 488218007 /nfs/dbraw/zinc/21/80/07/488218007.db2.gz RMTAFRXNTBUVDT-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1ccccc1F ZINC000678212087 488218011 /nfs/dbraw/zinc/21/80/11/488218011.db2.gz RMTAFRXNTBUVDT-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@H]1c1ccccc1 ZINC000678214278 488218475 /nfs/dbraw/zinc/21/84/75/488218475.db2.gz QBGIVHDDNRSWFA-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@H]1c1ccccc1 ZINC000678214278 488218479 /nfs/dbraw/zinc/21/84/79/488218479.db2.gz QBGIVHDDNRSWFA-AWEZNQCLSA-N 1 2 241.338 2.993 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cccnc1OC ZINC000683781616 488219902 /nfs/dbraw/zinc/21/99/02/488219902.db2.gz IYWSMYAFXLTULI-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cccnc1OC ZINC000683781616 488219905 /nfs/dbraw/zinc/21/99/05/488219905.db2.gz IYWSMYAFXLTULI-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO C[N@H+](Cc1cscc1Cl)[C@H]1CCOC1 ZINC000678238865 488222721 /nfs/dbraw/zinc/22/27/21/488222721.db2.gz IWLQQASWWTXNMT-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1cscc1Cl)[C@H]1CCOC1 ZINC000678238865 488222723 /nfs/dbraw/zinc/22/27/23/488222723.db2.gz IWLQQASWWTXNMT-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO CN(Cc1cn(C)c[nH+]1)Cc1ccccc1Cl ZINC000683897352 488239633 /nfs/dbraw/zinc/23/96/33/488239633.db2.gz ZUUAJQLJLJIFAI-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cnccc1OC ZINC000672537977 488258629 /nfs/dbraw/zinc/25/86/29/488258629.db2.gz WAMWXDZXLDKIED-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cnccc1OC ZINC000672537977 488258632 /nfs/dbraw/zinc/25/86/32/488258632.db2.gz WAMWXDZXLDKIED-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000672888531 488268447 /nfs/dbraw/zinc/26/84/47/488268447.db2.gz HYFVFHWGXQJGTI-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000678787171 488282589 /nfs/dbraw/zinc/28/25/89/488282589.db2.gz AYESPKMODLYQTH-SNVBAGLBSA-N 1 2 208.280 2.847 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccon2)nc(C2CC2)[nH+]1 ZINC000678787032 488282811 /nfs/dbraw/zinc/28/28/11/488282811.db2.gz WKNREBIZIFDIKE-VIFPVBQESA-N 1 2 244.298 2.824 20 0 BFADLO CC[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000678788978 488283263 /nfs/dbraw/zinc/28/32/63/488283263.db2.gz RMLQXSXRVVSMAR-SNVBAGLBSA-N 1 2 208.280 2.847 20 0 BFADLO CCc1cc(NCc2ccc(Cl)cn2)nc[nH+]1 ZINC000678828727 488289087 /nfs/dbraw/zinc/28/90/87/488289087.db2.gz SIGHNZXVZHXIGG-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2CCCOCC2)cc[nH+]1 ZINC000678942729 488297297 /nfs/dbraw/zinc/29/72/97/488297297.db2.gz CASQHHZDXBKMIU-LLVKDONJSA-N 1 2 249.358 2.755 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678948776 488297934 /nfs/dbraw/zinc/29/79/34/488297934.db2.gz JSVVBLBGSIQKGP-MNOVXSKESA-N 1 2 243.310 2.709 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000684392896 488305179 /nfs/dbraw/zinc/30/51/79/488305179.db2.gz SJXCXIIQTUSWAF-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000684392896 488305180 /nfs/dbraw/zinc/30/51/80/488305180.db2.gz SJXCXIIQTUSWAF-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)Cc1ccncc1 ZINC000679087874 488307226 /nfs/dbraw/zinc/30/72/26/488307226.db2.gz DSYVQWYIJVMFLF-LLVKDONJSA-N 1 2 243.310 2.528 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@H](F)C2)c(C)c(C)[nH+]1 ZINC000679191380 488315546 /nfs/dbraw/zinc/31/55/46/488315546.db2.gz UFHWWBBRIMUIGH-QPUJVOFHSA-N 1 2 237.322 2.586 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1F ZINC000679191616 488315983 /nfs/dbraw/zinc/31/59/83/488315983.db2.gz IAJDAUQUQNPFAM-NXEZZACHSA-N 1 2 233.290 2.747 20 0 BFADLO Cc1nc(C[NH+]2CCC(F)(F)CC2)sc1C ZINC000684626275 488334957 /nfs/dbraw/zinc/33/49/57/488334957.db2.gz UTHWWQKWMXGMGY-UHFFFAOYSA-N 1 2 246.326 2.991 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2c1CCC2 ZINC000651816628 490143662 /nfs/dbraw/zinc/14/36/62/490143662.db2.gz BRYBAQBQPMKMLJ-UHFFFAOYSA-N 1 2 225.282 2.920 20 0 BFADLO CC[N@H+](Cc1noc(C)n1)Cc1ccccc1C ZINC000045943513 490157415 /nfs/dbraw/zinc/15/74/15/490157415.db2.gz JEEYZZRGIVYVIW-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1noc(C)n1)Cc1ccccc1C ZINC000045943513 490157421 /nfs/dbraw/zinc/15/74/21/490157421.db2.gz JEEYZZRGIVYVIW-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccccc2C)o1 ZINC000227084071 491054819 /nfs/dbraw/zinc/05/48/19/491054819.db2.gz AEMPYPVPJSFOBC-UHFFFAOYSA-N 1 2 216.284 2.581 20 0 BFADLO Cc1ccc(NCc2nccs2)c(C)[nH+]1 ZINC000087151563 491066021 /nfs/dbraw/zinc/06/60/21/491066021.db2.gz ALFVUOQDWHNILE-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ncc[nH]1 ZINC000138916855 491129615 /nfs/dbraw/zinc/12/96/15/491129615.db2.gz HGKHXROCSGCUNV-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO CC(C)c1nc(NCC2(CCO)CCC2)cc[nH+]1 ZINC000132700564 491137878 /nfs/dbraw/zinc/13/78/78/491137878.db2.gz KNFLZKBQACALKY-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO c1cc2cc(NCc3cncs3)[nH+]cc2[nH]1 ZINC000309375093 491147597 /nfs/dbraw/zinc/14/75/97/491147597.db2.gz RAUXOPRCXBWHDP-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO c1cc2cc(NC[C@@H]3CCSC3)[nH+]cc2[nH]1 ZINC000309402311 491148696 /nfs/dbraw/zinc/14/86/96/491148696.db2.gz WLHHCVIVFYIWJJ-VIFPVBQESA-N 1 2 233.340 2.728 20 0 BFADLO c1cc2cc(NC[C@H]3CCSC3)[nH+]cc2[nH]1 ZINC000309402310 491148701 /nfs/dbraw/zinc/14/87/01/491148701.db2.gz WLHHCVIVFYIWJJ-SECBINFHSA-N 1 2 233.340 2.728 20 0 BFADLO Fc1c[nH+]ccc1NCCc1ccccc1 ZINC000309486212 491149537 /nfs/dbraw/zinc/14/95/37/491149537.db2.gz GLVZCRHSRUWGNZ-UHFFFAOYSA-N 1 2 216.259 2.875 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000309742232 491155746 /nfs/dbraw/zinc/15/57/46/491155746.db2.gz DNNSLTHHKUTJGN-WPRPVWTQSA-N 1 2 217.272 2.738 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000309742229 491155813 /nfs/dbraw/zinc/15/58/13/491155813.db2.gz DNNSLTHHKUTJGN-SCZZXKLOSA-N 1 2 217.272 2.738 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000309803737 491156839 /nfs/dbraw/zinc/15/68/39/491156839.db2.gz RQUWXEVRGSZYKI-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccc1Cl ZINC000310268676 491160885 /nfs/dbraw/zinc/16/08/85/491160885.db2.gz SBUAVHPVZBFFAC-SNVBAGLBSA-N 1 2 249.745 2.924 20 0 BFADLO Cc1ccc(NCc2ccc(O)cc2)c[nH+]1 ZINC000083347807 491161201 /nfs/dbraw/zinc/16/12/01/491161201.db2.gz ANFMRNAHACZFLI-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(C)cn2)cs1 ZINC000134300182 491162950 /nfs/dbraw/zinc/16/29/50/491162950.db2.gz CNDWCYIECNWIIT-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO C[C@@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492870905 533860309 /nfs/dbraw/zinc/86/03/09/533860309.db2.gz WNAQYNFBXRYSNM-WZIXFXTNSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@H]([NH2+][C@@H](c1ncn[nH]1)C1CCCCC1)C1CC1 ZINC000494879125 533979187 /nfs/dbraw/zinc/97/91/87/533979187.db2.gz QKDLLNQXHPGTIT-GXFFZTMASA-N 1 2 248.374 2.814 20 0 BFADLO C[C@@H]1C[C@H]1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000488430436 534030874 /nfs/dbraw/zinc/03/08/74/534030874.db2.gz DTYBZRWWLNEDSF-NEPJUHHUSA-N 1 2 231.343 2.750 20 0 BFADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493280621 534167106 /nfs/dbraw/zinc/16/71/06/534167106.db2.gz BEBUMLAIFUXMBC-OZQHNXSNSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@@H](O)c1cccc(NCC2CCCC2)[nH+]1 ZINC000891754767 582716827 /nfs/dbraw/zinc/71/68/27/582716827.db2.gz QVUHGRRBYRJEOF-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](C)C(F)(F)C2)O1 ZINC000494220616 534236335 /nfs/dbraw/zinc/23/63/35/534236335.db2.gz RERFLVPKHGZJTF-GMTAPVOTSA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C)C(F)(F)C2)O1 ZINC000494220616 534236338 /nfs/dbraw/zinc/23/63/38/534236338.db2.gz RERFLVPKHGZJTF-GMTAPVOTSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc(N2CC[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000891990842 582754495 /nfs/dbraw/zinc/75/44/95/582754495.db2.gz GHFYASYFGQBLTN-JTQLQIEISA-N 1 2 217.316 2.651 20 0 BFADLO Cc1cc(N[C@H]2CC[C@H](O)CC2)nc(C(C)C)[nH+]1 ZINC000252702384 518187707 /nfs/dbraw/zinc/18/77/07/518187707.db2.gz HIAONUMOKZQMIU-HAQNSBGRSA-N 1 2 249.358 2.624 20 0 BFADLO CC(=O)c1cccc(C[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000336199158 534888949 /nfs/dbraw/zinc/88/89/49/534888949.db2.gz MWYMRCGRXZLGAS-CQSZACIVSA-N 1 2 235.302 2.823 20 0 BFADLO CC(=O)c1cccc(C[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000336199158 534888950 /nfs/dbraw/zinc/88/89/50/534888950.db2.gz MWYMRCGRXZLGAS-CQSZACIVSA-N 1 2 235.302 2.823 20 0 BFADLO CC(C)c1nc(N2CCC(C)(C)C2)cc[nH+]1 ZINC000172787680 534908564 /nfs/dbraw/zinc/90/85/64/534908564.db2.gz VSZGIBSFDDZUCI-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CC(C)c1nc(N2CC[C@H]2C2CC2)cc[nH+]1 ZINC000336198261 534910490 /nfs/dbraw/zinc/91/04/90/534910490.db2.gz BZGOUGXLMCTOQZ-NSHDSACASA-N 1 2 217.316 2.589 20 0 BFADLO CC(C)(NC(=O)/C=C\C1CCCC1)c1[nH]cc[nH+]1 ZINC000493683167 527264590 /nfs/dbraw/zinc/26/45/90/527264590.db2.gz FFSZPEMWTYVNPB-FPLPWBNLSA-N 1 2 247.342 2.507 20 0 BFADLO C/C=C(/C=C\C(=O)NC1=[NH+]C[C@@H](C)S1)CC ZINC000493087392 527559244 /nfs/dbraw/zinc/55/92/44/527559244.db2.gz QDGYUTULAOHALP-KFJIUIDRSA-N 1 2 238.356 2.506 20 0 BFADLO CCC[C@H](C)N(C)C(=O)/C=C\c1[nH+]ccn1CC ZINC000492494640 528040942 /nfs/dbraw/zinc/04/09/42/528040942.db2.gz RLZSYWFITJQFLJ-LAUAKBEESA-N 1 2 249.358 2.563 20 0 BFADLO CC1=C[C@H](C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000485415476 528143541 /nfs/dbraw/zinc/14/35/41/528143541.db2.gz FNLXOEMFCFRCQN-JTQLQIEISA-N 1 2 227.311 2.965 20 0 BFADLO CCC[C@H]([NH2+]C/C=C\c1ccccc1)C(=O)OC ZINC000475102474 528213502 /nfs/dbraw/zinc/21/35/02/528213502.db2.gz SXGMJXJGWMTEHA-JOHMGYAOSA-N 1 2 247.338 2.631 20 0 BFADLO CCCCN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@@H](C)CC ZINC000493387552 528297700 /nfs/dbraw/zinc/29/77/00/528297700.db2.gz NWVNMDMBSZUELE-KRZKBDHCSA-N 1 2 249.358 2.850 20 0 BFADLO CCCC[NH2+][C@@](CC)(C(=O)OC)c1ccccc1 ZINC000512257768 528555892 /nfs/dbraw/zinc/55/58/92/528555892.db2.gz CZLHEKDJOQDWRM-OAHLLOKOSA-N 1 2 249.354 2.855 20 0 BFADLO CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000492905288 529118552 /nfs/dbraw/zinc/11/85/52/529118552.db2.gz ZPHIGPLAVAUUKU-WAYWQWQTSA-N 1 2 247.342 2.510 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]1C)C(F)(F)F ZINC000308646514 529122360 /nfs/dbraw/zinc/12/23/60/529122360.db2.gz HWPDGNKCOFWUIJ-VGMNWLOBSA-N 1 2 209.255 2.819 20 0 BFADLO CC[C@@H](NC(=O)c1ccc(C)cc1)c1[nH]cc[nH+]1 ZINC000140696895 535800070 /nfs/dbraw/zinc/80/00/70/535800070.db2.gz KOGRKRRBOXFAOT-GFCCVEGCSA-N 1 2 243.310 2.599 20 0 BFADLO CC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000266227629 536040715 /nfs/dbraw/zinc/04/07/15/536040715.db2.gz SIPZBQRVQNZQAT-ZDUSSCGKSA-N 1 2 219.332 2.802 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000347948981 536101066 /nfs/dbraw/zinc/10/10/66/536101066.db2.gz AHKJVRWLTDFRAK-SMDDNHRTSA-N 1 2 242.326 2.868 20 0 BFADLO C[N@H+](CCCC1CCCCC1)Cc1nnc[nH]1 ZINC000347861506 536329300 /nfs/dbraw/zinc/32/93/00/536329300.db2.gz AURRYLWYJXBVTR-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO C[N@@H+](CCCC1CCCCC1)Cc1nnc[nH]1 ZINC000347861506 536329303 /nfs/dbraw/zinc/32/93/03/536329303.db2.gz AURRYLWYJXBVTR-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO COc1cc(C)[nH+]c(CN2CCC23CCC3)c1 ZINC000335931870 536689683 /nfs/dbraw/zinc/68/96/83/536689683.db2.gz SGRBJZPDORTTQY-UHFFFAOYSA-N 1 2 232.327 2.527 20 0 BFADLO CC[N@H+](Cc1cc(C)ns1)Cc1ccccn1 ZINC000682672995 566455164 /nfs/dbraw/zinc/45/51/64/566455164.db2.gz LEQRJYAYMXFXGM-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cc(C)ns1)Cc1ccccn1 ZINC000682672995 566455173 /nfs/dbraw/zinc/45/51/73/566455173.db2.gz LEQRJYAYMXFXGM-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO C[C@H](O)c1cccc(NCCC(C)(F)F)[nH+]1 ZINC000894007299 583270216 /nfs/dbraw/zinc/27/02/16/583270216.db2.gz JBSYATZMOMLFHL-QMMMGPOBSA-N 1 2 230.258 2.592 20 0 BFADLO NC(Cc1ccccc1)=[NH+]OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000853655529 588752815 /nfs/dbraw/zinc/75/28/15/588752815.db2.gz KKSPNCGMCKIPJL-BTTYYORXSA-N 1 2 244.338 2.774 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCC1CCC1 ZINC000853675273 588754964 /nfs/dbraw/zinc/75/49/64/588754964.db2.gz RGKURDLASKSRNQ-LLVKDONJSA-N 1 2 242.363 2.736 20 0 BFADLO COc1cccc(C(N)=[NH+]OCC2CC=CC2)c1 ZINC000853675671 588755053 /nfs/dbraw/zinc/75/50/53/588755053.db2.gz ZMWMWSLWSFMUDE-UHFFFAOYSA-N 1 2 246.310 2.508 20 0 BFADLO Cc1cc(N[C@H]2C=CCC2)nc(C2CC2)[nH+]1 ZINC000853801043 588763992 /nfs/dbraw/zinc/76/39/92/588763992.db2.gz LRKKVFUMSXGLGP-NSHDSACASA-N 1 2 215.300 2.793 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1C=CCC1 ZINC000853800518 588764161 /nfs/dbraw/zinc/76/41/61/588764161.db2.gz VBOWWOJLGVLOFV-NSHDSACASA-N 1 2 245.326 2.802 20 0 BFADLO CC(C)c1nc(N(C)CC2=CCSC2)cc[nH+]1 ZINC000853980743 588770774 /nfs/dbraw/zinc/77/07/74/588770774.db2.gz GNGYXAHGTMGLTF-UHFFFAOYSA-N 1 2 249.383 2.709 20 0 BFADLO CC1(C)CCC[N@H+](Cn2ncsc2=S)C1 ZINC000112695347 588812858 /nfs/dbraw/zinc/81/28/58/588812858.db2.gz WMNGKLVEDUGSSV-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO CC1(C)CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000112695347 588812859 /nfs/dbraw/zinc/81/28/59/588812859.db2.gz WMNGKLVEDUGSSV-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO CC[C@H](C)N(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000855146516 588824260 /nfs/dbraw/zinc/82/42/60/588824260.db2.gz XMCLINXRUMIUAM-NSHDSACASA-N 1 2 245.326 2.595 20 0 BFADLO COc1cc(N[C@@H](C)c2[nH]cc[nH+]2)ccc1F ZINC000287529327 582525075 /nfs/dbraw/zinc/52/50/75/582525075.db2.gz OWUDVTKSAFEUDL-QMMMGPOBSA-N 1 2 235.262 2.731 20 0 BFADLO C[C@H](O)c1cccc(NC2CCCCC2)[nH+]1 ZINC000891395147 582676696 /nfs/dbraw/zinc/67/66/96/582676696.db2.gz MGGLPOUNFPIZTJ-JTQLQIEISA-N 1 2 220.316 2.880 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccco2)cnc1F ZINC000891486862 582692435 /nfs/dbraw/zinc/69/24/35/582692435.db2.gz FFWDGSCACXRDCX-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccco2)cnc1F ZINC000891486862 582692437 /nfs/dbraw/zinc/69/24/37/582692437.db2.gz FFWDGSCACXRDCX-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1ccccn1 ZINC000891493859 582693297 /nfs/dbraw/zinc/69/32/97/582693297.db2.gz YOBULLOQFBYFCP-MNOVXSKESA-N 1 2 243.310 2.703 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)c2cccnc2)[nH+]1 ZINC000891560932 582697405 /nfs/dbraw/zinc/69/74/05/582697405.db2.gz GIRDJKUXYIHHND-WDEREUQCSA-N 1 2 243.310 2.703 20 0 BFADLO C[N@H+](Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000891619274 582702589 /nfs/dbraw/zinc/70/25/89/582702589.db2.gz BNEBWCYCTJCBQS-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO C[N@@H+](Cc1nc(C(C)(C)C)co1)C1CC1 ZINC000891619274 582702592 /nfs/dbraw/zinc/70/25/92/582702592.db2.gz BNEBWCYCTJCBQS-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO CN(c1cc(C2CC2)[nH+]c(C2CC2)n1)C1CC1 ZINC000891769737 582718810 /nfs/dbraw/zinc/71/88/10/582718810.db2.gz LNHWMBKWRGJYHL-UHFFFAOYSA-N 1 2 229.327 2.830 20 0 BFADLO CCOCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891885522 582735030 /nfs/dbraw/zinc/73/50/30/582735030.db2.gz UUBAJCLFAVRITR-UHFFFAOYSA-N 1 2 247.342 2.680 20 0 BFADLO CCc1cc(NC[C@H]2CCCCO2)nc(CC)[nH+]1 ZINC000892002603 582758923 /nfs/dbraw/zinc/75/89/23/582758923.db2.gz UWMAFBPXWFFPIH-GFCCVEGCSA-N 1 2 249.358 2.582 20 0 BFADLO CC/C(C)=C/C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902844 588853180 /nfs/dbraw/zinc/85/31/80/588853180.db2.gz NFNUXWRFGLNQPJ-CSKARUKUSA-N 1 2 243.310 2.938 20 0 BFADLO CC/C(C)=C\C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902845 588853333 /nfs/dbraw/zinc/85/33/33/588853333.db2.gz NFNUXWRFGLNQPJ-NTMALXAHSA-N 1 2 243.310 2.938 20 0 BFADLO CC(C)[C@H]1CC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000892404100 582877552 /nfs/dbraw/zinc/87/75/52/582877552.db2.gz XTCIXQQLQLTFSC-SNVBAGLBSA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)[C@H]1CC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000892404100 582877555 /nfs/dbraw/zinc/87/75/55/582877555.db2.gz XTCIXQQLQLTFSC-SNVBAGLBSA-N 1 2 237.372 2.646 20 0 BFADLO CCC[C@@H](O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892503224 582899680 /nfs/dbraw/zinc/89/96/80/582899680.db2.gz ZUWSDFMPNPBNSS-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO CC[C@H]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892580787 582919804 /nfs/dbraw/zinc/91/98/04/582919804.db2.gz MVGJANMRDHHUMV-LBPRGKRZSA-N 1 2 244.342 2.746 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892616763 582930926 /nfs/dbraw/zinc/93/09/26/582930926.db2.gz QHSZGRDPTUVNGG-AXFHLTTASA-N 1 2 222.332 2.981 20 0 BFADLO CCOc1ccc(CNc2cccc[nH+]2)o1 ZINC000892637318 582935008 /nfs/dbraw/zinc/93/50/08/582935008.db2.gz MQXBZPMRRROCRH-UHFFFAOYSA-N 1 2 218.256 2.685 20 0 BFADLO C[C@@]1(Br)C[C@H]1CNc1cccc[nH+]1 ZINC000892638031 582936029 /nfs/dbraw/zinc/93/60/29/582936029.db2.gz VIZODVJILWUAEO-WCBMZHEXSA-N 1 2 241.132 2.667 20 0 BFADLO Cc1cc(N[C@H]2CCSC2)nc(C2CCC2)[nH+]1 ZINC000892702672 582960645 /nfs/dbraw/zinc/96/06/45/582960645.db2.gz GMGZWFUDNAJGBZ-NSHDSACASA-N 1 2 249.383 2.970 20 0 BFADLO CSC(C)(C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000892745561 582975384 /nfs/dbraw/zinc/97/53/84/582975384.db2.gz RYEZWCVERGTGNG-VIFPVBQESA-N 1 2 240.372 2.688 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279947 588866984 /nfs/dbraw/zinc/86/69/84/588866984.db2.gz IEDRJCPWQURWEV-DWOQACPDSA-N 1 2 249.358 2.590 20 0 BFADLO Cc1cc(N[C@H](C)CCCO)nc(C2CCC2)[nH+]1 ZINC000892883202 583002294 /nfs/dbraw/zinc/00/22/94/583002294.db2.gz LESKBKMGQVTEAD-SNVBAGLBSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@H](O)c1cccc(NCCC2CCC2)[nH+]1 ZINC000892880770 583002353 /nfs/dbraw/zinc/00/23/53/583002353.db2.gz IXFLLPDLRUXAME-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO CCOc1ccc(CNc2ccc(OC)c[nH+]2)o1 ZINC000893133657 583055017 /nfs/dbraw/zinc/05/50/17/583055017.db2.gz CMYTWMBHHJZIDA-UHFFFAOYSA-N 1 2 248.282 2.694 20 0 BFADLO Cc1ccc(NCc2cnn(C)c2C2CC2)c[nH+]1 ZINC000893144888 583056840 /nfs/dbraw/zinc/05/68/40/583056840.db2.gz BHVGULIMZITYJO-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO COc1ccc(CNc2ccc(C)[nH+]c2C)nc1 ZINC000893197663 583069069 /nfs/dbraw/zinc/06/90/69/583069069.db2.gz IVTYIOBBIGFWRQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCn1cc(CNc2c[nH+]cc(C)c2)c(C)n1 ZINC000893197844 583069375 /nfs/dbraw/zinc/06/93/75/583069375.db2.gz PRKWKTZCIKVJQU-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000397935427 583113361 /nfs/dbraw/zinc/11/33/61/583113361.db2.gz RNJLKAXSOCVIKL-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO CC(C)n1cc(C[NH2+][C@@H]2CCCC2(F)F)cn1 ZINC000398234300 583125688 /nfs/dbraw/zinc/12/56/88/583125688.db2.gz YEELLYNWESFUMC-LLVKDONJSA-N 1 2 243.301 2.741 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)CC(C)(C)C ZINC000893514344 583155569 /nfs/dbraw/zinc/15/55/69/583155569.db2.gz BHDPIEHSXUUVIT-SNVBAGLBSA-N 1 2 236.315 2.616 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1CC=CCC1 ZINC000893519650 583155980 /nfs/dbraw/zinc/15/59/80/583155980.db2.gz RWSMCWNCRDAHNS-NEPJUHHUSA-N 1 2 246.310 2.536 20 0 BFADLO CC/C(C)=C/C(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893527748 583157865 /nfs/dbraw/zinc/15/78/65/583157865.db2.gz GLSRWAAZUJPSNY-DJYGCBNOSA-N 1 2 234.299 2.536 20 0 BFADLO CCc1cc(N2[C@H](C)C[C@@H]2C)nc(CC)[nH+]1 ZINC000893589563 583168176 /nfs/dbraw/zinc/16/81/76/583168176.db2.gz IBDVULYGGXCBKL-AOOOYVTPSA-N 1 2 219.332 2.589 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000893676249 583195356 /nfs/dbraw/zinc/19/53/56/583195356.db2.gz RCJOEIXBQPYTQK-SRVKXCTJSA-N 1 2 234.343 2.983 20 0 BFADLO Cc1cc(N2CCC[C@H](F)C2)nc(C2CCC2)[nH+]1 ZINC000893677396 583195978 /nfs/dbraw/zinc/19/59/78/583195978.db2.gz STVPRYZBNMLGEV-LBPRGKRZSA-N 1 2 249.333 2.991 20 0 BFADLO C[C@@H](O)c1cccc(NCCC2(F)CCC2)[nH+]1 ZINC000893858782 583233617 /nfs/dbraw/zinc/23/36/17/583233617.db2.gz LCKBJMNGJQFNPJ-SNVBAGLBSA-N 1 2 238.306 2.829 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)Cc2ccccc2F)c1C ZINC000893892332 583245121 /nfs/dbraw/zinc/24/51/21/583245121.db2.gz VEHMKIHNDHCDOX-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)Cc2ccccc2F)c1C ZINC000893892332 583245122 /nfs/dbraw/zinc/24/51/22/583245122.db2.gz VEHMKIHNDHCDOX-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cc(N2CC(C3CC3)C2)nc(C2CCC2)[nH+]1 ZINC000893930040 583249927 /nfs/dbraw/zinc/24/99/27/583249927.db2.gz PPMOPESVXZTCGN-UHFFFAOYSA-N 1 2 243.354 2.899 20 0 BFADLO C=C=CCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893942578 583255720 /nfs/dbraw/zinc/25/57/20/583255720.db2.gz JABJWUOGMQMLHR-UHFFFAOYSA-N 1 2 227.311 2.984 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1C ZINC000894034649 583278250 /nfs/dbraw/zinc/27/82/50/583278250.db2.gz UBWXNCYSUWWLNT-UWVGGRQHSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1C ZINC000894034649 583278253 /nfs/dbraw/zinc/27/82/53/583278253.db2.gz UBWXNCYSUWWLNT-UWVGGRQHSA-N 1 2 221.348 2.504 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000894027343 583280227 /nfs/dbraw/zinc/28/02/27/583280227.db2.gz QCBUIRNQMHPZFX-NXEZZACHSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000894027343 583280230 /nfs/dbraw/zinc/28/02/30/583280230.db2.gz QCBUIRNQMHPZFX-NXEZZACHSA-N 1 2 241.356 2.611 20 0 BFADLO CC/C=C/CNc1cccc([C@H](C)O)[nH+]1 ZINC000894047335 583287878 /nfs/dbraw/zinc/28/78/78/583287878.db2.gz SRNJTHRMOBRLFE-YEZKRMTDSA-N 1 2 206.289 2.513 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)Nc1nccs1 ZINC000894090087 583298698 /nfs/dbraw/zinc/29/86/98/583298698.db2.gz JLMANCSFCFMGNH-MRVPVSSYSA-N 1 2 222.317 2.533 20 0 BFADLO CC(C)OCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894108435 583307847 /nfs/dbraw/zinc/30/78/47/583307847.db2.gz IOZRHFPCCUDABV-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO CC(C)OCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894108435 583307848 /nfs/dbraw/zinc/30/78/48/583307848.db2.gz IOZRHFPCCUDABV-UHFFFAOYSA-N 1 2 245.326 2.947 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894139348 583315878 /nfs/dbraw/zinc/31/58/78/583315878.db2.gz MIDJUQZBAUVMHN-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894139348 583315881 /nfs/dbraw/zinc/31/58/81/583315881.db2.gz MIDJUQZBAUVMHN-AOOOYVTPSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@H]1CCC[C@H](C2C[NH+](Cc3cocn3)C2)C1 ZINC000877763554 583347175 /nfs/dbraw/zinc/34/71/75/583347175.db2.gz BMWKDUHNEVTBHM-RYUDHWBXSA-N 1 2 234.343 2.933 20 0 BFADLO CC(C)CCn1cccc1C[NH2+]Cc1ccon1 ZINC000747622591 583367530 /nfs/dbraw/zinc/36/75/30/583367530.db2.gz SIIQYPRDQQPLNP-UHFFFAOYSA-N 1 2 247.342 2.812 20 0 BFADLO Cc1ncoc1CNc1ccc(C)[nH+]c1C ZINC000894359595 583436728 /nfs/dbraw/zinc/43/67/28/583436728.db2.gz PDPGMASUGHERNM-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCC2 ZINC000894429844 583456445 /nfs/dbraw/zinc/45/64/45/583456445.db2.gz PSMTXDSDBQFHCU-UHFFFAOYSA-N 1 2 227.311 2.671 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCC2 ZINC000894429844 583456446 /nfs/dbraw/zinc/45/64/46/583456446.db2.gz PSMTXDSDBQFHCU-UHFFFAOYSA-N 1 2 227.311 2.671 20 0 BFADLO CC(C)Oc1cc(F)ccc1NCc1c[nH+]c[nH]1 ZINC000894422732 583457514 /nfs/dbraw/zinc/45/75/14/583457514.db2.gz ONVPGCKKUQFBMQ-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO CC(C)Oc1cc(F)ccc1NCc1c[nH]c[nH+]1 ZINC000894422732 583457517 /nfs/dbraw/zinc/45/75/17/583457517.db2.gz ONVPGCKKUQFBMQ-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)c1C ZINC000894444366 583461027 /nfs/dbraw/zinc/46/10/27/583461027.db2.gz HUWNMJRMAXFIIS-SNVBAGLBSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)c1C ZINC000894567103 583485119 /nfs/dbraw/zinc/48/51/19/583485119.db2.gz QHDKPYFZNWGYBW-JTQLQIEISA-N 1 2 233.359 2.791 20 0 BFADLO CC[C@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000894573199 583486465 /nfs/dbraw/zinc/48/64/65/583486465.db2.gz VJPVAHMDSOMETK-KOLCDFICSA-N 1 2 220.316 2.735 20 0 BFADLO CCc1cccc(F)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000894585739 583489292 /nfs/dbraw/zinc/48/92/92/583489292.db2.gz ILAFOJVWYXYXRR-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CC(C)c1c[nH]c(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000894600764 583491049 /nfs/dbraw/zinc/49/10/49/583491049.db2.gz MCLUSPUMFWAKEX-NXEZZACHSA-N 1 2 207.321 2.516 20 0 BFADLO CC(C)([NH2+][C@@H]1CCc2cccnc21)C(F)F ZINC000894603703 583491051 /nfs/dbraw/zinc/49/10/51/583491051.db2.gz YGOYFRXOQJZTDQ-SECBINFHSA-N 1 2 226.270 2.702 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)[C@@H]1C ZINC000894627479 583495354 /nfs/dbraw/zinc/49/53/54/583495354.db2.gz HTYIHOMEAGZONK-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)[C@@H]1C ZINC000894627479 583495357 /nfs/dbraw/zinc/49/53/57/583495357.db2.gz HTYIHOMEAGZONK-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cn1 ZINC000894670120 583503488 /nfs/dbraw/zinc/50/34/88/583503488.db2.gz CGOSRXRUSBOLGY-CYBMUJFWSA-N 1 2 236.334 2.824 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cn1 ZINC000894670120 583503490 /nfs/dbraw/zinc/50/34/90/583503490.db2.gz CGOSRXRUSBOLGY-CYBMUJFWSA-N 1 2 236.334 2.824 20 0 BFADLO Oc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000894670335 583503557 /nfs/dbraw/zinc/50/35/57/583503557.db2.gz FTNWCPQJTMHMKP-SNVBAGLBSA-N 1 2 229.682 2.589 20 0 BFADLO Oc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000894670335 583503561 /nfs/dbraw/zinc/50/35/61/583503561.db2.gz FTNWCPQJTMHMKP-SNVBAGLBSA-N 1 2 229.682 2.589 20 0 BFADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1ccns1 ZINC000894815125 583524349 /nfs/dbraw/zinc/52/43/49/583524349.db2.gz GNSJXCBNZJKTKJ-BDAKNGLRSA-N 1 2 249.339 2.765 20 0 BFADLO Cc1nnc(C[NH+]2CC3(C2)CCCCC3)s1 ZINC000894822402 583525712 /nfs/dbraw/zinc/52/57/12/583525712.db2.gz QGXKNTDISXLEPB-UHFFFAOYSA-N 1 2 237.372 2.613 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC23CC3)[nH+]1 ZINC000894862114 583535405 /nfs/dbraw/zinc/53/54/05/583535405.db2.gz DJMMXHCPFGULBL-ZYHUDNBSSA-N 1 2 232.327 2.880 20 0 BFADLO Cc1cc(NCC2CSC2)nc(C2CCC2)[nH+]1 ZINC000894882323 583544815 /nfs/dbraw/zinc/54/48/15/583544815.db2.gz VAZFYAIGDVVUOG-UHFFFAOYSA-N 1 2 249.383 2.827 20 0 BFADLO Cc1coc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894890261 583548184 /nfs/dbraw/zinc/54/81/84/583548184.db2.gz GIDNBSOTCOAMSS-UHFFFAOYSA-N 1 2 219.206 2.582 20 0 BFADLO CCc1ccc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000894892157 583548751 /nfs/dbraw/zinc/54/87/51/583548751.db2.gz LCNJHYKUDLHDSD-UHFFFAOYSA-N 1 2 233.233 2.836 20 0 BFADLO CCC1(c2ccccc2)C[NH+](Cc2c[nH]cn2)C1 ZINC000894983689 583564255 /nfs/dbraw/zinc/56/42/55/583564255.db2.gz FJEDBHQPOYKNOV-UHFFFAOYSA-N 1 2 241.338 2.573 20 0 BFADLO CCC1(c2ccccc2)C[NH+](Cc2cnc[nH]2)C1 ZINC000894983689 583564257 /nfs/dbraw/zinc/56/42/57/583564257.db2.gz FJEDBHQPOYKNOV-UHFFFAOYSA-N 1 2 241.338 2.573 20 0 BFADLO c1csc(NCCCCNc2cccc[nH+]2)n1 ZINC000726968352 583577045 /nfs/dbraw/zinc/57/70/45/583577045.db2.gz LAGNFIXZLKDZPU-UHFFFAOYSA-N 1 2 248.355 2.842 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCCCS2)c1C ZINC000882173278 583597418 /nfs/dbraw/zinc/59/74/18/583597418.db2.gz BHEKIFVKUVXLIR-NSHDSACASA-N 1 2 237.372 2.791 20 0 BFADLO C=C/C=C\CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000895132053 583600950 /nfs/dbraw/zinc/60/09/50/583600950.db2.gz NICXSBNEDADYII-DOGVGXBMSA-N 1 2 218.300 2.679 20 0 BFADLO CC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000335329904 583613126 /nfs/dbraw/zinc/61/31/26/583613126.db2.gz WZGTYIMANAAUPH-LLVKDONJSA-N 1 2 247.342 2.727 20 0 BFADLO CC(C)c1c[nH]c(CN(C)c2cccc(O)c2)[nH+]1 ZINC000895357083 583658961 /nfs/dbraw/zinc/65/89/61/583658961.db2.gz ICFSEXJHZCPPQM-UHFFFAOYSA-N 1 2 245.326 2.875 20 0 BFADLO C[C@@]1(C[N@@H+]2CC[C@@H]2C(F)F)CCCS1 ZINC000895430081 583669426 /nfs/dbraw/zinc/66/94/26/583669426.db2.gz BXMWOTQXTDAQJA-SCZZXKLOSA-N 1 2 221.316 2.612 20 0 BFADLO C[C@@]1(C[N@H+]2CC[C@@H]2C(F)F)CCCS1 ZINC000895430081 583669428 /nfs/dbraw/zinc/66/94/28/583669428.db2.gz BXMWOTQXTDAQJA-SCZZXKLOSA-N 1 2 221.316 2.612 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000895432610 583671647 /nfs/dbraw/zinc/67/16/47/583671647.db2.gz OWSUOPXPECVYFQ-NXEZZACHSA-N 1 2 201.260 2.682 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1C[C@@H]1CC=CCC1 ZINC000895432610 583671650 /nfs/dbraw/zinc/67/16/50/583671650.db2.gz OWSUOPXPECVYFQ-NXEZZACHSA-N 1 2 201.260 2.682 20 0 BFADLO c1cc2c(cn1)C[N@H+](CCOCC1CCCC1)C2 ZINC000857883123 588920377 /nfs/dbraw/zinc/92/03/77/588920377.db2.gz ZVFVAFIYCNOOAL-UHFFFAOYSA-N 1 2 246.354 2.604 20 0 BFADLO c1cc2c(cn1)C[N@@H+](CCOCC1CCCC1)C2 ZINC000857883123 588920378 /nfs/dbraw/zinc/92/03/78/588920378.db2.gz ZVFVAFIYCNOOAL-UHFFFAOYSA-N 1 2 246.354 2.604 20 0 BFADLO Fc1c(C[NH+]2CCC(F)CC2)ccnc1Cl ZINC000895547247 583686884 /nfs/dbraw/zinc/68/68/84/583686884.db2.gz RIGYHFBBKZYHGL-UHFFFAOYSA-N 1 2 246.688 2.808 20 0 BFADLO CC[C@](C)(CNc1c[nH+]c(C)c(C)c1)OC ZINC000895645705 583700462 /nfs/dbraw/zinc/70/04/62/583700462.db2.gz SVSVHAQTFGFDQL-CYBMUJFWSA-N 1 2 222.332 2.925 20 0 BFADLO Cc1cnc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000895645321 583700521 /nfs/dbraw/zinc/70/05/21/583700521.db2.gz OYTRNYNFKMJIHB-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO COc1ncc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000895645559 583700603 /nfs/dbraw/zinc/70/06/03/583700603.db2.gz RINWSGOVZAWVJY-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Cc1nc(N2CCC[C@@H]2COC(C)(C)C)cc[nH+]1 ZINC000895657093 583701520 /nfs/dbraw/zinc/70/15/20/583701520.db2.gz VIKZJPDEDPUFPR-GFCCVEGCSA-N 1 2 249.358 2.569 20 0 BFADLO Clc1ccc2c(n1)[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000857908097 588923138 /nfs/dbraw/zinc/92/31/38/588923138.db2.gz WSEAQYMSZFJVAX-JTQLQIEISA-N 1 2 249.701 2.500 20 0 BFADLO COC1CCC(C[N@@H+]2CC[C@H]2C(F)F)CC1 ZINC000895727748 583713580 /nfs/dbraw/zinc/71/35/80/583713580.db2.gz PGYIGYMDLRGZQD-ILDUYXDCSA-N 1 2 233.302 2.531 20 0 BFADLO COC1CCC(C[N@H+]2CC[C@H]2C(F)F)CC1 ZINC000895727748 583713582 /nfs/dbraw/zinc/71/35/82/583713582.db2.gz PGYIGYMDLRGZQD-ILDUYXDCSA-N 1 2 233.302 2.531 20 0 BFADLO CCn1ncc(NCc2[nH]cc(C(C)C)[nH+]2)c1C ZINC000883204391 583739808 /nfs/dbraw/zinc/73/98/08/583739808.db2.gz ZMVDZGVMIIVFRC-UHFFFAOYSA-N 1 2 247.346 2.670 20 0 BFADLO Fc1ccc2cc[nH+]c(N3CCCOCC3)c2c1 ZINC000335809304 583746903 /nfs/dbraw/zinc/74/69/03/583746903.db2.gz SXDYCBOWCJFUNY-UHFFFAOYSA-N 1 2 246.285 2.601 20 0 BFADLO Cc1cc(C[NH+]2CC(OC(C)C)C2)c(C)o1 ZINC000895955599 583752447 /nfs/dbraw/zinc/75/24/47/583752447.db2.gz SVTMWJHXCLEOJY-UHFFFAOYSA-N 1 2 223.316 2.506 20 0 BFADLO CC[C@H](CC(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977810 588926793 /nfs/dbraw/zinc/92/67/93/588926793.db2.gz ZSJCBETUAPFEQV-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO COCC1C[NH+](Cc2ccc(F)cc2Cl)C1 ZINC000895971950 583756479 /nfs/dbraw/zinc/75/64/79/583756479.db2.gz YPFYTSYNMTWLRU-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO CCCC(CCC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980154 588927304 /nfs/dbraw/zinc/92/73/04/588927304.db2.gz IVKSPCWJUZWRRJ-LBPRGKRZSA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc(CNc2c[nH+]c(C)c(C)c2)c(C)n1 ZINC000896020415 583764018 /nfs/dbraw/zinc/76/40/18/583764018.db2.gz ADSPQHZHDFISHY-UHFFFAOYSA-N 1 2 244.342 2.835 20 0 BFADLO CCC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857980897 588927560 /nfs/dbraw/zinc/92/75/60/588927560.db2.gz SDQMGWBVROZMIE-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)[C@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979984 588927672 /nfs/dbraw/zinc/92/76/72/588927672.db2.gz HQWLBGYOWYUTHN-JQWIXIFHSA-N 1 2 249.358 2.516 20 0 BFADLO C[N@H+](CCCF)Cc1nc(C(C)(C)C)co1 ZINC000896069865 583767785 /nfs/dbraw/zinc/76/77/85/583767785.db2.gz KSQFSMGYJLGXCC-UHFFFAOYSA-N 1 2 228.311 2.764 20 0 BFADLO C[N@@H+](CCCF)Cc1nc(C(C)(C)C)co1 ZINC000896069865 583767788 /nfs/dbraw/zinc/76/77/88/583767788.db2.gz KSQFSMGYJLGXCC-UHFFFAOYSA-N 1 2 228.311 2.764 20 0 BFADLO Cc1cc(NCCC2CC=CC2)nc[nH+]1 ZINC000896094828 583771454 /nfs/dbraw/zinc/77/14/54/583771454.db2.gz UVGYEPMBQNOCTI-UHFFFAOYSA-N 1 2 203.289 2.553 20 0 BFADLO C[C@H](O)c1cccc(NCCC2CC=CC2)[nH+]1 ZINC000896094517 583771746 /nfs/dbraw/zinc/77/17/46/583771746.db2.gz OTSQMJAZUQBVIE-NSHDSACASA-N 1 2 232.327 2.903 20 0 BFADLO C[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCCCO1 ZINC000896183717 583778871 /nfs/dbraw/zinc/77/88/71/583778871.db2.gz FIRSJMXAVNXXSV-AWEZNQCLSA-N 1 2 247.342 2.725 20 0 BFADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCCCO1 ZINC000896183718 583778959 /nfs/dbraw/zinc/77/89/59/583778959.db2.gz FIRSJMXAVNXXSV-CQSZACIVSA-N 1 2 247.342 2.725 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cn1ncsc1=S ZINC000727824777 583779324 /nfs/dbraw/zinc/77/93/24/583779324.db2.gz RMHTUJAIMZBOIO-QMMMGPOBSA-N 1 2 229.374 2.506 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cn1ncsc1=S ZINC000727824777 583779326 /nfs/dbraw/zinc/77/93/26/583779326.db2.gz RMHTUJAIMZBOIO-QMMMGPOBSA-N 1 2 229.374 2.506 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCS[C@H](C)C1 ZINC000896248291 583784397 /nfs/dbraw/zinc/78/43/97/583784397.db2.gz UCLCPDFQITUFKY-NXEZZACHSA-N 1 2 238.356 2.786 20 0 BFADLO CCCC[C@H](CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857988792 588929122 /nfs/dbraw/zinc/92/91/22/588929122.db2.gz MGIOQQUGGCLDBB-RYUDHWBXSA-N 1 2 249.358 2.661 20 0 BFADLO CCc1cc(N[C@H]2CCS[C@@H](C)C2)nc[nH+]1 ZINC000896248193 583785858 /nfs/dbraw/zinc/78/58/58/583785858.db2.gz XBCVZHZKTRGZAN-ONGXEEELSA-N 1 2 237.372 2.735 20 0 BFADLO CCCC[C@@H](CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988793 588929501 /nfs/dbraw/zinc/92/95/01/588929501.db2.gz MGIOQQUGGCLDBB-VXGBXAGGSA-N 1 2 249.358 2.661 20 0 BFADLO CCC(CC)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995529 588929737 /nfs/dbraw/zinc/92/97/37/588929737.db2.gz CIEFXTDNARHHEQ-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1nccs1 ZINC000858128571 588934252 /nfs/dbraw/zinc/93/42/52/588934252.db2.gz UEZSFRTZIFBUMN-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CCc1ncc(C[N@@H+]2CCn3cccc3C2)s1 ZINC000896760112 583831012 /nfs/dbraw/zinc/83/10/12/583831012.db2.gz IUUFJTZBCSKCOK-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCc1ncc(C[N@H+]2CCn3cccc3C2)s1 ZINC000896760112 583831014 /nfs/dbraw/zinc/83/10/14/583831014.db2.gz IUUFJTZBCSKCOK-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO C[NH+](C)C1(c2nc(C3C(C)(C)C3(C)C)no2)CC1 ZINC000896943839 583862853 /nfs/dbraw/zinc/86/28/53/583862853.db2.gz JTWSIYGQNJNSQF-UHFFFAOYSA-N 1 2 249.358 2.770 20 0 BFADLO Cc1cc(N[C@H]2CCOC23CCCCC3)nc[nH+]1 ZINC000896986380 583867877 /nfs/dbraw/zinc/86/78/77/583867877.db2.gz GQZNDXOQSIEMRX-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO Cc1nc(N[C@H]2CCSC(C)(C)C2)cc[nH+]1 ZINC000897059675 583875256 /nfs/dbraw/zinc/87/52/56/583875256.db2.gz DLTHWUAIHQSQIL-JTQLQIEISA-N 1 2 237.372 2.871 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)[nH+]c1 ZINC000897177181 583889729 /nfs/dbraw/zinc/88/97/29/583889729.db2.gz KVLACMMLVFCUFX-XKAARJIMSA-N 1 2 232.327 2.735 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000897177847 583890757 /nfs/dbraw/zinc/89/07/57/583890757.db2.gz WCWDDQJDPCPZRB-ADEWGFFLSA-N 1 2 217.316 2.640 20 0 BFADLO Cc1nc(NC2CC3(C2)COC(C)(C)C3)cc[nH+]1 ZINC000897216448 583896540 /nfs/dbraw/zinc/89/65/40/583896540.db2.gz RHNSKKCRWIFWOC-UHFFFAOYSA-N 1 2 247.342 2.545 20 0 BFADLO CCc1cc(NC[C@@H]2CCCC(C)(C)O2)nc[nH+]1 ZINC000897255056 583904307 /nfs/dbraw/zinc/90/43/07/583904307.db2.gz WZUOXWVUORTNBH-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO CCC/C=C/C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000729350481 583993884 /nfs/dbraw/zinc/99/38/84/583993884.db2.gz DJLATWKROQHUJO-GXWOQWCDSA-N 1 2 247.342 2.820 20 0 BFADLO Cc1cc(NC/C=C/Cl)nc(C2CC2)[nH+]1 ZINC000897505607 583998137 /nfs/dbraw/zinc/99/81/37/583998137.db2.gz MRVWDHHIEBQCPA-GORDUTHDSA-N 1 2 223.707 2.827 20 0 BFADLO CC[C@H]([NH2+]Cc1ccon1)c1ccccc1OC ZINC000148617343 584019056 /nfs/dbraw/zinc/01/90/56/584019056.db2.gz VBOHLXYTQMVWTQ-ZDUSSCGKSA-N 1 2 246.310 2.924 20 0 BFADLO CC(=O)OC[C@@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897706770 584041385 /nfs/dbraw/zinc/04/13/85/584041385.db2.gz UAPPVMKWISFDOU-SNVBAGLBSA-N 1 2 236.315 2.569 20 0 BFADLO CC(C)c1c[nH+]cc(NCc2cncnc2)c1 ZINC000897707625 584042497 /nfs/dbraw/zinc/04/24/97/584042497.db2.gz VGEAOJLFGSZGEL-UHFFFAOYSA-N 1 2 228.299 2.607 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000898334858 584111457 /nfs/dbraw/zinc/11/14/57/584111457.db2.gz AJPLEZYDTWESSW-YUTCNCBUSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccns1 ZINC000858575632 588967731 /nfs/dbraw/zinc/96/77/31/588967731.db2.gz CELXSPHKOGVWNL-ZJUUUORDSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc(CNc2cc(C)[nH+]cn2)cc(Cl)n1 ZINC000858595555 588970266 /nfs/dbraw/zinc/97/02/66/588970266.db2.gz ZNOSZXDSBXRPFD-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1cc(C)[nH+]c(Cn2cc(C3CCC3)nn2)c1 ZINC000900622284 584332751 /nfs/dbraw/zinc/33/27/51/584332751.db2.gz OZCTVSQQARCWHV-UHFFFAOYSA-N 1 2 242.326 2.606 20 0 BFADLO CC(C)c1nc(N[C@H]2CO[C@H](C3CC3)C2)cc[nH+]1 ZINC000858809902 588977057 /nfs/dbraw/zinc/97/70/57/588977057.db2.gz TUDKOCNIIWELNJ-NEPJUHHUSA-N 1 2 247.342 2.579 20 0 BFADLO C[C@@H]1CCC[C@@H](OC(=O)/C=C\c2cn(C)c[nH+]2)C1 ZINC000901235413 584404957 /nfs/dbraw/zinc/40/49/57/584404957.db2.gz VWFYSGWCCXECAJ-GGCNOCFKSA-N 1 2 248.326 2.555 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCC(C)(C)O)ccc2O1 ZINC000901447245 584447255 /nfs/dbraw/zinc/44/72/55/584447255.db2.gz MAYBQQBNVTVXSZ-JTQLQIEISA-N 1 2 235.327 2.583 20 0 BFADLO COC1CC(C[NH2+]c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC000901446889 584447426 /nfs/dbraw/zinc/44/74/26/584447426.db2.gz LJGNDIWIDFIUKC-CDWSIMAYSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCC3(O)CCC3)ccc2O1 ZINC000901448651 584447830 /nfs/dbraw/zinc/44/78/30/584447830.db2.gz WWWCVMXBNYEINM-LLVKDONJSA-N 1 2 247.338 2.727 20 0 BFADLO CC(=Cc1[nH]cc(C(C)C)[nH+]1)c1cnccn1 ZINC000901491865 584452772 /nfs/dbraw/zinc/45/27/72/584452772.db2.gz WFNDKPVGIQVOJT-POHAHGRESA-N 1 2 228.299 2.884 20 0 BFADLO CC(=Cc1[nH]cc(C(C)C)[nH+]1)c1cnccn1 ZINC000901491866 584452856 /nfs/dbraw/zinc/45/28/56/584452856.db2.gz WFNDKPVGIQVOJT-UXBLZVDNSA-N 1 2 228.299 2.884 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(F)c2)c1 ZINC000902079226 584520834 /nfs/dbraw/zinc/52/08/34/584520834.db2.gz KYFOZLBIAWUMHJ-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CC(F)(F)CCCO[NH+]=C(N)c1ccccc1 ZINC000902122470 584528525 /nfs/dbraw/zinc/52/85/25/584528525.db2.gz DTDSSZLICNIQPV-UHFFFAOYSA-N 1 2 242.269 2.969 20 0 BFADLO Cc1cnc(Cl)c(CNc2cc[nH+]c(C)n2)c1 ZINC000902126125 584529039 /nfs/dbraw/zinc/52/90/39/584529039.db2.gz FGKVOPVRFCLGMF-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1nc(NCc2cccc3c2CCC3)cc[nH+]1 ZINC000902124803 584529057 /nfs/dbraw/zinc/52/90/57/584529057.db2.gz LUBNVMOLZTUTEI-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO Cc1cc(NCc2cnc(C3CC3)s2)nc[nH+]1 ZINC000902196590 584536498 /nfs/dbraw/zinc/53/64/98/584536498.db2.gz UPKKQVUTAPPNKB-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO c1c(CSCCOC2CC2)[nH+]c2ccccn12 ZINC000902339612 584557363 /nfs/dbraw/zinc/55/73/63/584557363.db2.gz BBMCIMDFOCFJLX-UHFFFAOYSA-N 1 2 248.351 2.747 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(SC)cn2)c1 ZINC000902335806 584564665 /nfs/dbraw/zinc/56/46/65/584564665.db2.gz KPSVRIXHKOXLAE-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1C[C@]12CCOC2 ZINC000902355878 584569851 /nfs/dbraw/zinc/56/98/51/584569851.db2.gz VGXMFZYFKSQGFC-WFASDCNBSA-N 1 2 247.338 2.758 20 0 BFADLO C=C/C=C\CCSCCn1cc[nH+]c1 ZINC000902449551 584606434 /nfs/dbraw/zinc/60/64/34/584606434.db2.gz BQKYQOZSXQTARS-ARJAWSKDSA-N 1 2 208.330 2.749 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)C(C)C ZINC000859087865 588999586 /nfs/dbraw/zinc/99/95/86/588999586.db2.gz SOAOTNKXCSVNER-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)C(C)C ZINC000859087865 588999587 /nfs/dbraw/zinc/99/95/87/588999587.db2.gz SOAOTNKXCSVNER-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO NC(Cc1ccccc1F)=[NH+]OCCCCF ZINC000902622598 584645309 /nfs/dbraw/zinc/64/53/09/584645309.db2.gz HDVXVKOUQUXQLJ-UHFFFAOYSA-N 1 2 242.269 2.616 20 0 BFADLO CC(C)c1cncc(NCc2cn(C)c[nH+]2)c1 ZINC000902680267 584653048 /nfs/dbraw/zinc/65/30/48/584653048.db2.gz KXCREZCLHSSVSM-UHFFFAOYSA-N 1 2 230.315 2.551 20 0 BFADLO Cc1ccc2[nH+]c(C)cc(OCCCO)c2c1 ZINC000902693577 584657001 /nfs/dbraw/zinc/65/70/01/584657001.db2.gz YHJCDYVGOAHPGB-UHFFFAOYSA-N 1 2 231.295 2.613 20 0 BFADLO C[C@@H](O[NH+]=C(N)COC1CCC1)c1ccccc1 ZINC000902774702 584668864 /nfs/dbraw/zinc/66/88/64/584668864.db2.gz GHIXSTRCTRTYML-LLVKDONJSA-N 1 2 248.326 2.815 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)nc1Cl ZINC000902993801 584711797 /nfs/dbraw/zinc/71/17/97/584711797.db2.gz YGQPZZDIADGPER-SNVBAGLBSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H](F)C2)nc1Cl ZINC000902993801 584711800 /nfs/dbraw/zinc/71/18/00/584711800.db2.gz YGQPZZDIADGPER-SNVBAGLBSA-N 1 2 242.725 2.977 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccns1 ZINC000903073861 584726206 /nfs/dbraw/zinc/72/62/06/584726206.db2.gz VMSVNHHEFHSDOX-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccns1 ZINC000903073861 584726208 /nfs/dbraw/zinc/72/62/08/584726208.db2.gz VMSVNHHEFHSDOX-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO CO[C@@H]1CCC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000903139521 584730707 /nfs/dbraw/zinc/73/07/07/584730707.db2.gz MFYNKKZTYAULLJ-WDEREUQCSA-N 1 2 238.356 2.783 20 0 BFADLO CCCSC[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000903164591 584731818 /nfs/dbraw/zinc/73/18/18/584731818.db2.gz IVPNBSLUCBFVFF-QMMMGPOBSA-N 1 2 223.332 2.905 20 0 BFADLO CC(F)(F)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903174531 584732551 /nfs/dbraw/zinc/73/25/51/584732551.db2.gz LMOQZJRCJFDXGO-NSHDSACASA-N 1 2 226.270 2.778 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1cncs1 ZINC000903311305 584748335 /nfs/dbraw/zinc/74/83/35/584748335.db2.gz NJCBOZMLLCQWBT-ZJUUUORDSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)c1ccc(N[C@@H]2CCn3cc[nH+]c32)cn1 ZINC000903338669 584751697 /nfs/dbraw/zinc/75/16/97/584751697.db2.gz GEPCEYSGKKMLQI-CYBMUJFWSA-N 1 2 242.326 2.958 20 0 BFADLO C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ncco1 ZINC000903430482 584761367 /nfs/dbraw/zinc/76/13/67/584761367.db2.gz XSDDQLBDMPLPLA-GWCFXTLKSA-N 1 2 243.310 2.872 20 0 BFADLO CCC(CC)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269662 584858469 /nfs/dbraw/zinc/85/84/69/584858469.db2.gz OXPAUMNOZHFTKQ-UHFFFAOYSA-N 1 2 246.314 2.926 20 0 BFADLO CC/C=C(/C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904257429 584859453 /nfs/dbraw/zinc/85/94/53/584859453.db2.gz XLQWAWUWGNTQMK-YVMONPNESA-N 1 2 244.298 2.836 20 0 BFADLO Cc1cc(N)cc(NCc2[nH+]ccn2C2CC2)c1 ZINC000904384285 584877464 /nfs/dbraw/zinc/87/74/64/584877464.db2.gz JHBGPQPKSPFFFN-UHFFFAOYSA-N 1 2 242.326 2.721 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000754144996 584913964 /nfs/dbraw/zinc/91/39/64/584913964.db2.gz SEYYPHREQHLNCQ-MNOVXSKESA-N 1 2 232.327 2.583 20 0 BFADLO C/C(=C/C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000733966539 584955945 /nfs/dbraw/zinc/95/59/45/584955945.db2.gz CIBVOSYRYZCSNI-NTMALXAHSA-N 1 2 241.294 2.629 20 0 BFADLO Cc1ncc2c(n1)CCC[C@H]2Nc1cccc[nH+]1 ZINC000734832176 584969134 /nfs/dbraw/zinc/96/91/34/584969134.db2.gz DBJBRHFEPIBQLV-CYBMUJFWSA-N 1 2 240.310 2.670 20 0 BFADLO COc1c(C)c[nH+]c(COC(=O)C2CCC2)c1C ZINC000736769195 585012002 /nfs/dbraw/zinc/01/20/02/585012002.db2.gz RSQAZKHNHLUMAK-UHFFFAOYSA-N 1 2 249.310 2.550 20 0 BFADLO CCCCNc1[nH+]c2ccccc2n1C[C@@H](C)O ZINC000840741061 585026323 /nfs/dbraw/zinc/02/63/23/585026323.db2.gz DKYVRWMYWOZCSQ-LLVKDONJSA-N 1 2 247.342 2.629 20 0 BFADLO C[C@@H]1CCCCC[N@@H+]1Cn1ncsc1=S ZINC000738221888 585041729 /nfs/dbraw/zinc/04/17/29/585041729.db2.gz DSHOPMCPDCZKNG-SECBINFHSA-N 1 2 243.401 2.896 20 0 BFADLO C[C@@H]1CCCCC[N@H+]1Cn1ncsc1=S ZINC000738221888 585041730 /nfs/dbraw/zinc/04/17/30/585041730.db2.gz DSHOPMCPDCZKNG-SECBINFHSA-N 1 2 243.401 2.896 20 0 BFADLO Cc1ccc(COC(=O)c2ccsn2)c(C)[nH+]1 ZINC000838054741 585043978 /nfs/dbraw/zinc/04/39/78/585043978.db2.gz VZISVJRAHBFCMI-UHFFFAOYSA-N 1 2 248.307 2.512 20 0 BFADLO CCN(C(=O)Nc1ccc2[nH+]ccn2c1)C(C)C ZINC000738952352 585054952 /nfs/dbraw/zinc/05/49/52/585054952.db2.gz QEWQXEVVGXFLKO-UHFFFAOYSA-N 1 2 246.314 2.597 20 0 BFADLO C=COc1ccc([NH2+]C[C@@H](C)COC)cc1 ZINC000839154022 585092696 /nfs/dbraw/zinc/09/26/96/585092696.db2.gz HVNSMPSZHVZNML-LLVKDONJSA-N 1 2 221.300 2.903 20 0 BFADLO Fc1cccc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000839182387 585096767 /nfs/dbraw/zinc/09/67/67/585096767.db2.gz IRNXEOATKNROQJ-GFCCVEGCSA-N 1 2 233.286 2.834 20 0 BFADLO Fc1cccc2c1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000839182387 585096768 /nfs/dbraw/zinc/09/67/68/585096768.db2.gz IRNXEOATKNROQJ-GFCCVEGCSA-N 1 2 233.286 2.834 20 0 BFADLO CC(C(=O)Nc1cccc2[nH+]ccn21)=C1CCC1 ZINC000839290353 585100630 /nfs/dbraw/zinc/10/06/30/585100630.db2.gz FCUQRKPSXNXYQM-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cc1[nH+]c2cc(OC(=O)C3(C)CC3)ccc2n1C ZINC000839395493 585102589 /nfs/dbraw/zinc/10/25/89/585102589.db2.gz ANWPRFBLNUCEGO-UHFFFAOYSA-N 1 2 244.294 2.587 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000741773279 585118104 /nfs/dbraw/zinc/11/81/04/585118104.db2.gz LPEDLZXWJFXMPD-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000741773279 585118105 /nfs/dbraw/zinc/11/81/05/585118105.db2.gz LPEDLZXWJFXMPD-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000741775765 585118230 /nfs/dbraw/zinc/11/82/30/585118230.db2.gz XBMVSCLTIUGJOU-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000741775765 585118231 /nfs/dbraw/zinc/11/82/31/585118231.db2.gz XBMVSCLTIUGJOU-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000741774620 585118272 /nfs/dbraw/zinc/11/82/72/585118272.db2.gz INJQFFRNBHXCMU-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000741774620 585118273 /nfs/dbraw/zinc/11/82/73/585118273.db2.gz INJQFFRNBHXCMU-CYBMUJFWSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1nc(N[C@H](C)COc2ccccc2)cc[nH+]1 ZINC000742398014 585125680 /nfs/dbraw/zinc/12/56/80/585125680.db2.gz YHEOGMMXLPSSDG-LLVKDONJSA-N 1 2 243.310 2.664 20 0 BFADLO Cc1nc(N[C@@H](C)COc2ccccc2)cc[nH+]1 ZINC000742398015 585125686 /nfs/dbraw/zinc/12/56/86/585125686.db2.gz YHEOGMMXLPSSDG-NSHDSACASA-N 1 2 243.310 2.664 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000746457279 585168506 /nfs/dbraw/zinc/16/85/06/585168506.db2.gz NRJSIDFFVIFXJE-GXTWGEPZSA-N 1 2 247.338 2.775 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000746457279 585168507 /nfs/dbraw/zinc/16/85/07/585168507.db2.gz NRJSIDFFVIFXJE-GXTWGEPZSA-N 1 2 247.338 2.775 20 0 BFADLO Cc1cc(NC(=O)C=C2CC[C@H](C)C2)c(C)c[nH+]1 ZINC000747111198 585175105 /nfs/dbraw/zinc/17/51/05/585175105.db2.gz GOOQMHVPXCXCOC-AAIQCTMTSA-N 1 2 244.338 2.805 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1CN1CCSC1=O ZINC000747463926 585179126 /nfs/dbraw/zinc/17/91/26/585179126.db2.gz RWXIARMYRDKBQS-JTQLQIEISA-N 1 2 248.351 2.690 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1CN1CCSC1=O ZINC000747463926 585179127 /nfs/dbraw/zinc/17/91/27/585179127.db2.gz RWXIARMYRDKBQS-JTQLQIEISA-N 1 2 248.351 2.690 20 0 BFADLO CC[C@H](CC(=O)OCc1c[nH+]cn1C)C(C)C ZINC000747782747 585184233 /nfs/dbraw/zinc/18/42/33/585184233.db2.gz PKWNUKQDYYAEBS-LLVKDONJSA-N 1 2 238.331 2.536 20 0 BFADLO Cn1c[nH+]cc1COC(=O)CCCC(C)(C)C ZINC000747782016 585184268 /nfs/dbraw/zinc/18/42/68/585184268.db2.gz NNEKFBBGWJKGQR-UHFFFAOYSA-N 1 2 238.331 2.680 20 0 BFADLO Clc1cc(NCCNc2cccc[nH+]2)ccn1 ZINC000747819540 585184676 /nfs/dbraw/zinc/18/46/76/585184676.db2.gz OAQOPRXCDRDYJP-UHFFFAOYSA-N 1 2 248.717 2.654 20 0 BFADLO O=C(Nc1cc[nH+]cc1O)C1CCCCCCC1 ZINC000748312521 585190517 /nfs/dbraw/zinc/19/05/17/585190517.db2.gz NJKSBWDGHRGCDU-UHFFFAOYSA-N 1 2 248.326 2.508 20 0 BFADLO CC(C)c1nc(NC2CCC(C)(O)CC2)cc[nH+]1 ZINC000749282664 585201183 /nfs/dbraw/zinc/20/11/83/585201183.db2.gz OGPFIUXQCAOAGK-UHFFFAOYSA-N 1 2 249.358 2.706 20 0 BFADLO CCC/C=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750529353 585216630 /nfs/dbraw/zinc/21/66/30/585216630.db2.gz RXAWQYKBHSIDLV-FPLPWBNLSA-N 1 2 247.342 2.751 20 0 BFADLO C/C=C(\C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000751190070 585225158 /nfs/dbraw/zinc/22/51/58/585225158.db2.gz CENIAXQOJYNTJY-QDEBKDIKSA-N 1 2 241.294 2.777 20 0 BFADLO Cc1nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c(=S)s1 ZINC000751925492 585239173 /nfs/dbraw/zinc/23/91/73/585239173.db2.gz FVRFKLOTSGLGDA-HTQZYQBOSA-N 1 2 243.401 2.528 20 0 BFADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000752923233 585251394 /nfs/dbraw/zinc/25/13/94/585251394.db2.gz AUCOGISUYLJKRW-UWVGGRQHSA-N 1 2 248.330 2.762 20 0 BFADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)nc1 ZINC000753116020 585253735 /nfs/dbraw/zinc/25/37/35/585253735.db2.gz VXJTXLKZMWXRHN-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000753600577 585263508 /nfs/dbraw/zinc/26/35/08/585263508.db2.gz QNUJSWDDLMYFHI-UBYNWHESSA-N 1 2 246.310 2.775 20 0 BFADLO Fc1cc(C[N@@H+]2CCc3ccsc3C2)ccn1 ZINC000859218653 589020545 /nfs/dbraw/zinc/02/05/45/589020545.db2.gz VDUFCPKVOTXJBC-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cc(C[N@H+]2CCc3ccsc3C2)ccn1 ZINC000859218653 589020547 /nfs/dbraw/zinc/02/05/47/589020547.db2.gz VDUFCPKVOTXJBC-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO C[C@@H]1CSCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000753835469 585270625 /nfs/dbraw/zinc/27/06/25/585270625.db2.gz YVVHSPJUJDPZRU-ZETCQYMHSA-N 1 2 245.285 2.572 20 0 BFADLO C[C@@H]1CSCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000753835469 585270626 /nfs/dbraw/zinc/27/06/26/585270626.db2.gz YVVHSPJUJDPZRU-ZETCQYMHSA-N 1 2 245.285 2.572 20 0 BFADLO C[C@@H](CCC(C)(C)C)C(=O)NC1=[NH+]CCS1 ZINC000754058201 585276590 /nfs/dbraw/zinc/27/65/90/585276590.db2.gz MZQWYECBADQUCP-VIFPVBQESA-N 1 2 242.388 2.668 20 0 BFADLO CCCCN(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000754674292 585289110 /nfs/dbraw/zinc/28/91/10/585289110.db2.gz ZDCLCVZFAJXJBP-UHFFFAOYSA-N 1 2 238.722 2.799 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(CF)cc2)n1 ZINC000754688201 585289376 /nfs/dbraw/zinc/28/93/76/585289376.db2.gz GSVSUCLAPNCTHI-SECBINFHSA-N 1 2 249.289 2.698 20 0 BFADLO CCC/C=C\C(=O)Nc1ccc(C)[nH+]c1C ZINC000755768878 585306426 /nfs/dbraw/zinc/30/64/26/585306426.db2.gz ADLNHSLGLJPDDX-SREVYHEPSA-N 1 2 218.300 2.993 20 0 BFADLO CC1=CC[N@H+](Cc2ncc(C(C)C)o2)CC1 ZINC000756630749 585321996 /nfs/dbraw/zinc/32/19/96/585321996.db2.gz OSTCRYOPNPRCIX-UHFFFAOYSA-N 1 2 220.316 2.950 20 0 BFADLO CC1=CC[N@@H+](Cc2ncc(C(C)C)o2)CC1 ZINC000756630749 585321997 /nfs/dbraw/zinc/32/19/97/585321997.db2.gz OSTCRYOPNPRCIX-UHFFFAOYSA-N 1 2 220.316 2.950 20 0 BFADLO Cc1nnc(C[NH2+]C(C)(C)c2ccc(F)cc2)o1 ZINC000103483148 585330757 /nfs/dbraw/zinc/33/07/57/585330757.db2.gz OSTFOILDIRYUMD-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2[nH]cc[nH+]2)o1 ZINC000757383660 585334270 /nfs/dbraw/zinc/33/42/70/585334270.db2.gz WQYJZPDPVBEUKL-PWSUYJOCSA-N 1 2 245.326 2.758 20 0 BFADLO CCCCC(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000757930804 585347085 /nfs/dbraw/zinc/34/70/85/585347085.db2.gz IWEHQCGLQCLALA-UHFFFAOYSA-N 1 2 246.310 2.876 20 0 BFADLO CCC(=CC(=O)NCCCCn1cc[nH+]c1)CC ZINC000759219395 585365795 /nfs/dbraw/zinc/36/57/95/585365795.db2.gz YEHRIBKPPOBDGU-UHFFFAOYSA-N 1 2 249.358 2.526 20 0 BFADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCF ZINC000759371521 585371645 /nfs/dbraw/zinc/37/16/45/585371645.db2.gz LDQJFHUPMGISEP-MRVPVSSYSA-N 1 2 229.245 2.853 20 0 BFADLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCF ZINC000759371521 585371646 /nfs/dbraw/zinc/37/16/46/585371646.db2.gz LDQJFHUPMGISEP-MRVPVSSYSA-N 1 2 229.245 2.853 20 0 BFADLO Cc1nonc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000759627295 585377620 /nfs/dbraw/zinc/37/76/20/585377620.db2.gz GTFCWQWCVHPVEA-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nonc1C[N@H+](C)Cc1cc(C)ccc1C ZINC000759627295 585377621 /nfs/dbraw/zinc/37/76/21/585377621.db2.gz GTFCWQWCVHPVEA-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO COc1c(C)c[nH+]c(COC(=O)C2(C)CC2)c1C ZINC000761432511 585415550 /nfs/dbraw/zinc/41/55/50/585415550.db2.gz SIQRERRFRGLDND-UHFFFAOYSA-N 1 2 249.310 2.550 20 0 BFADLO CC(C)CCCO[NH+]=C(N)c1ccccc1 ZINC000762186260 585428568 /nfs/dbraw/zinc/42/85/68/585428568.db2.gz VTFVWDVBGXTINV-UHFFFAOYSA-N 1 2 220.316 2.969 20 0 BFADLO CC[C@@H](C)CO[NH+]=C(N)Cc1ccccc1 ZINC000764548318 585467746 /nfs/dbraw/zinc/46/77/46/585467746.db2.gz FUCMVFMNICVVQW-LLVKDONJSA-N 1 2 220.316 2.774 20 0 BFADLO c1nc(N2CCCC2)cc(NCCC2CCC2)[nH+]1 ZINC000764854150 585475953 /nfs/dbraw/zinc/47/59/53/585475953.db2.gz NJEHPKLSNINWHU-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO c1nc(NCCC2CCC2)cc(N2CCCC2)[nH+]1 ZINC000764854150 585475954 /nfs/dbraw/zinc/47/59/54/585475954.db2.gz NJEHPKLSNINWHU-UHFFFAOYSA-N 1 2 246.358 2.679 20 0 BFADLO CO[C@@H](C)c1nc(C[N@H+](C)CCCF)cs1 ZINC000766087677 585497402 /nfs/dbraw/zinc/49/74/02/585497402.db2.gz QZHGCCHTOYHUEN-VIFPVBQESA-N 1 2 246.351 2.642 20 0 BFADLO CO[C@@H](C)c1nc(C[N@@H+](C)CCCF)cs1 ZINC000766087677 585497403 /nfs/dbraw/zinc/49/74/03/585497403.db2.gz QZHGCCHTOYHUEN-VIFPVBQESA-N 1 2 246.351 2.642 20 0 BFADLO CCc1ccc([N@H+](CC)C[C@@H](C)CO)cc1 ZINC000766917380 585511498 /nfs/dbraw/zinc/51/14/98/585511498.db2.gz XFGRADWKYZGLGF-GFCCVEGCSA-N 1 2 221.344 2.704 20 0 BFADLO CCc1ccc([N@@H+](CC)C[C@@H](C)CO)cc1 ZINC000766917380 585511499 /nfs/dbraw/zinc/51/14/99/585511499.db2.gz XFGRADWKYZGLGF-GFCCVEGCSA-N 1 2 221.344 2.704 20 0 BFADLO CC/C=C/CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000767539553 585522439 /nfs/dbraw/zinc/52/24/39/585522439.db2.gz XNBXBGZIILSBPT-ONEGZZNKSA-N 1 2 244.294 2.847 20 0 BFADLO C/C=C\CSCc1cc[nH+]c(N(C)C)c1 ZINC000767872543 585527264 /nfs/dbraw/zinc/52/72/64/585527264.db2.gz XQNDDGLTGASMGU-PLNGDYQASA-N 1 2 222.357 2.957 20 0 BFADLO FCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227477 585551269 /nfs/dbraw/zinc/55/12/69/585551269.db2.gz CYKLWUSENSBQMX-VIFPVBQESA-N 1 2 229.245 2.724 20 0 BFADLO FCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769227477 585551270 /nfs/dbraw/zinc/55/12/70/585551270.db2.gz CYKLWUSENSBQMX-VIFPVBQESA-N 1 2 229.245 2.724 20 0 BFADLO Cc1nonc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846577 585565299 /nfs/dbraw/zinc/56/52/99/585565299.db2.gz PIHPQNRTQWNJLL-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nonc1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000769846577 585565300 /nfs/dbraw/zinc/56/53/00/585565300.db2.gz PIHPQNRTQWNJLL-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cn1c(Cl)nc(Cl)c1C[NH+]1CCCCC1 ZINC000770394657 585573799 /nfs/dbraw/zinc/57/37/99/585573799.db2.gz LDMCPJQWJQVSOY-UHFFFAOYSA-N 1 2 248.157 2.713 20 0 BFADLO O=C(OCc1cccc2[nH+]ccn21)C1CCCC1 ZINC000770734575 585581030 /nfs/dbraw/zinc/58/10/30/585581030.db2.gz VSWAIRBALONWCX-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO CC(C)[C@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770921494 585584257 /nfs/dbraw/zinc/58/42/57/585584257.db2.gz CGDXSDRXAXZLRD-NSHDSACASA-N 1 2 246.310 2.670 20 0 BFADLO CC/C=C(\C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770922768 585584391 /nfs/dbraw/zinc/58/43/91/585584391.db2.gz RSGGEKQCBRTSTM-VZUCSPMQSA-N 1 2 244.294 2.734 20 0 BFADLO CC(C)(C)/C=C\C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000771499705 585595616 /nfs/dbraw/zinc/59/56/16/585595616.db2.gz SIDNRLYDAYWOEQ-JMEBYUIHSA-N 1 2 247.342 2.676 20 0 BFADLO Cc1ccc(COC(=O)C(C)(C)C)c(C)[nH+]1 ZINC000772017773 585606935 /nfs/dbraw/zinc/60/69/35/585606935.db2.gz MXJMGHKMYHDPEJ-UHFFFAOYSA-N 1 2 221.300 2.788 20 0 BFADLO Cc1ccc(COC(=O)[C@@H]2CC23CCC3)c(C)[nH+]1 ZINC000772188582 585609651 /nfs/dbraw/zinc/60/96/51/585609651.db2.gz SCGTWSNDXQCGDE-ZDUSSCGKSA-N 1 2 245.322 2.932 20 0 BFADLO Cc1[nH]ccc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000772186617 585609743 /nfs/dbraw/zinc/60/97/43/585609743.db2.gz QTKVJCKPVWOCSF-UHFFFAOYSA-N 1 2 244.294 2.692 20 0 BFADLO Cc1cnc(C[NH+]2CC3(C2)CC(F)(F)C3)s1 ZINC000772271234 585611809 /nfs/dbraw/zinc/61/18/09/585611809.db2.gz ADMDPPZMZSBBMB-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO Cc1ccc(COC(=O)Cc2ccoc2)c(C)[nH+]1 ZINC000772571535 585618324 /nfs/dbraw/zinc/61/83/24/585618324.db2.gz HUTMUUFMRCVLPB-UHFFFAOYSA-N 1 2 245.278 2.577 20 0 BFADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cc2ccccc2[nH]1 ZINC000775628227 585681793 /nfs/dbraw/zinc/68/17/93/585681793.db2.gz QFBGGLZRHPMWQN-JTQLQIEISA-N 1 2 240.310 2.742 20 0 BFADLO CC[C@H]([NH2+]c1ccc(N(C)CCO)cc1)C1CC1 ZINC000777652716 585718058 /nfs/dbraw/zinc/71/80/58/585718058.db2.gz CCNMVATVUWISKM-HNNXBMFYSA-N 1 2 248.370 2.716 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)CCO)c(C)c1 ZINC000779415430 585754098 /nfs/dbraw/zinc/75/40/98/585754098.db2.gz DRXUMMYPRZBZGX-NSHDSACASA-N 1 2 223.316 2.577 20 0 BFADLO C[C@H](CCO)[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000779417355 585754512 /nfs/dbraw/zinc/75/45/12/585754512.db2.gz PJCZSPJVKFHXCA-CYBMUJFWSA-N 1 2 248.370 2.860 20 0 BFADLO CC/C(C)=C(\C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000779838885 585768455 /nfs/dbraw/zinc/76/84/55/585768455.db2.gz IZTNXAIPOKIVOU-ZHACJKMWSA-N 1 2 247.342 2.833 20 0 BFADLO C[NH+](C)[C@H](C(=O)OCCC1CC1)c1ccccc1 ZINC000780089862 585772414 /nfs/dbraw/zinc/77/24/14/585772414.db2.gz JHYFSIUWSMBJES-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO Cc1cc(NC[C@@H]2CCC=CO2)nc(C2CC2)[nH+]1 ZINC000780623747 585782341 /nfs/dbraw/zinc/78/23/41/585782341.db2.gz YHCUWEGXEXQBJT-LBPRGKRZSA-N 1 2 245.326 2.767 20 0 BFADLO CO[C@@H](C)C(N)=[NH+]OCC1CCC(C)(C)CC1 ZINC000781614616 585800586 /nfs/dbraw/zinc/80/05/86/585800586.db2.gz PVTMOEYAKSZYKN-JTQLQIEISA-N 1 2 242.363 2.736 20 0 BFADLO Cc1cc([NH2+][C@H](C)C(C)C)ccc1OCCO ZINC000782783897 585824500 /nfs/dbraw/zinc/82/45/00/585824500.db2.gz QPSIOLQJYRWSAZ-GFCCVEGCSA-N 1 2 237.343 2.823 20 0 BFADLO Cc1cc([NH2+][C@H](C)C2CC2)ccc1OCCO ZINC000782785590 585824522 /nfs/dbraw/zinc/82/45/22/585824522.db2.gz ZBEBKNNOUQQTAC-LLVKDONJSA-N 1 2 235.327 2.577 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OCCC1CC1 ZINC000783146585 585828428 /nfs/dbraw/zinc/82/84/28/585828428.db2.gz DBDCIDLZHRNOOZ-UHFFFAOYSA-N 1 2 236.290 2.667 20 0 BFADLO CCC/C(C)=C\C(=O)OCCCn1cc[nH+]c1 ZINC000783177609 585829170 /nfs/dbraw/zinc/82/91/70/585829170.db2.gz NUVGOIIGEDEIBF-BENRWUELSA-N 1 2 236.315 2.563 20 0 BFADLO CCC[C@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000783321630 585833764 /nfs/dbraw/zinc/83/37/64/585833764.db2.gz HOTGLILMZNWCNX-LBPRGKRZSA-N 1 2 238.331 2.643 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCC(C)(C)C ZINC000783558945 585836948 /nfs/dbraw/zinc/83/69/48/585836948.db2.gz HZDAKMCNXBNNFD-LLVKDONJSA-N 1 2 244.379 2.982 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+]CC[C@H]1CCOC1 ZINC000783574734 585837104 /nfs/dbraw/zinc/83/71/04/585837104.db2.gz AOPNVNSRQSABQU-ZDUSSCGKSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC[C@H]1CCOC1 ZINC000783574734 585837105 /nfs/dbraw/zinc/83/71/05/585837105.db2.gz AOPNVNSRQSABQU-ZDUSSCGKSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cn2cc(NC(=O)[C@H](F)C(C)C)ccc2[nH+]1 ZINC000784088887 585849239 /nfs/dbraw/zinc/84/92/39/585849239.db2.gz PZLQDBZMPMRIEG-GFCCVEGCSA-N 1 2 249.289 2.575 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@H](F)C(C)C)cc2[nH+]1 ZINC000784152794 585851715 /nfs/dbraw/zinc/85/17/15/585851715.db2.gz LEODHXRVPKEEFW-GFCCVEGCSA-N 1 2 249.289 2.804 20 0 BFADLO Cc1[nH]c2cc(NC(=O)[C@H](F)C(C)C)ccc2[nH+]1 ZINC000784152794 585851716 /nfs/dbraw/zinc/85/17/16/585851716.db2.gz LEODHXRVPKEEFW-GFCCVEGCSA-N 1 2 249.289 2.804 20 0 BFADLO Cc1ccc(COC(=O)[C@@H](F)C(C)C)c(C)[nH+]1 ZINC000784300565 585854936 /nfs/dbraw/zinc/85/49/36/585854936.db2.gz WTBBQGGRHHDGMV-LBPRGKRZSA-N 1 2 239.290 2.736 20 0 BFADLO Cc1ccc(COC(=O)[C@H](F)C(C)C)c(C)[nH+]1 ZINC000784300564 585854959 /nfs/dbraw/zinc/85/49/59/585854959.db2.gz WTBBQGGRHHDGMV-GFCCVEGCSA-N 1 2 239.290 2.736 20 0 BFADLO Cc1ccc(COC(=O)/C=C/C(C)C)c(C)[nH+]1 ZINC000785062685 585870209 /nfs/dbraw/zinc/87/02/09/585870209.db2.gz BTYCRCWYMUCMIG-VMPITWQZSA-N 1 2 233.311 2.954 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785422021 585873333 /nfs/dbraw/zinc/87/33/33/585873333.db2.gz YVBNCKAQUDENLI-PBQZMEPESA-N 1 2 235.331 2.723 20 0 BFADLO CCC(C)=C(C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000785422021 585873334 /nfs/dbraw/zinc/87/33/34/585873334.db2.gz YVBNCKAQUDENLI-PBQZMEPESA-N 1 2 235.331 2.723 20 0 BFADLO COc1ccc([NH2+]CC2(C)CC2)cc1NC(C)=O ZINC000785468450 585874184 /nfs/dbraw/zinc/87/41/84/585874184.db2.gz JLFBFQUHBFRQFE-UHFFFAOYSA-N 1 2 248.326 2.866 20 0 BFADLO C[C@H]([NH2+]c1ccc(OCCO)cc1)[C@@H]1CC1(C)C ZINC000785492331 585874529 /nfs/dbraw/zinc/87/45/29/585874529.db2.gz FADRKVZNWRBLOT-FZMZJTMJSA-N 1 2 249.354 2.904 20 0 BFADLO Cc1cc([NH2+]CC2(C)CC2)ccc1OCCO ZINC000785513170 585874986 /nfs/dbraw/zinc/87/49/86/585874986.db2.gz FKGLFTPBYSIYDR-UHFFFAOYSA-N 1 2 235.327 2.578 20 0 BFADLO C[N@@H+](Cc1coc2ccccc12)Cc1ncc[nH]1 ZINC000787770238 585915844 /nfs/dbraw/zinc/91/58/44/585915844.db2.gz PETBMNHYAUKBEM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1coc2ccccc12)Cc1ncc[nH]1 ZINC000787770238 585915845 /nfs/dbraw/zinc/91/58/45/585915845.db2.gz PETBMNHYAUKBEM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CN(Cc1coc2ccccc12)Cc1[nH]cc[nH+]1 ZINC000787770238 585915846 /nfs/dbraw/zinc/91/58/46/585915846.db2.gz PETBMNHYAUKBEM-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO NC(=[NH+]OCCCCCF)c1cccc(F)c1 ZINC000789590593 585945077 /nfs/dbraw/zinc/94/50/77/585945077.db2.gz JHWYBAMTFBJSJA-UHFFFAOYSA-N 1 2 242.269 2.812 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCCCCCF ZINC000789591949 585945120 /nfs/dbraw/zinc/94/51/20/585945120.db2.gz RSDMKSXXKLTJKP-UHFFFAOYSA-N 1 2 244.335 2.929 20 0 BFADLO CC[C@@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000791835011 585989113 /nfs/dbraw/zinc/98/91/13/585989113.db2.gz AKZRKMMCZUKUTK-LLVKDONJSA-N 1 2 246.310 2.814 20 0 BFADLO CCC(C)(C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791978685 585992652 /nfs/dbraw/zinc/99/26/52/585992652.db2.gz JCFWRYQGWWKSPV-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CC1(C)CC[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792118852 585995995 /nfs/dbraw/zinc/99/59/95/585995995.db2.gz FHQMOMPZIORRNM-LLVKDONJSA-N 1 2 248.326 2.533 20 0 BFADLO CC/C=C\CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792877407 586006203 /nfs/dbraw/zinc/00/62/03/586006203.db2.gz KFMKGCPELVBIMU-ARJAWSKDSA-N 1 2 249.329 2.685 20 0 BFADLO CC/C=C/CC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792877410 586006581 /nfs/dbraw/zinc/00/65/81/586006581.db2.gz KFMKGCPELVBIMU-ONEGZZNKSA-N 1 2 249.329 2.685 20 0 BFADLO CCc1cccc(F)c1C[NH2+]Cc1ccon1 ZINC000793002386 586008234 /nfs/dbraw/zinc/00/82/34/586008234.db2.gz YJOUCIIPHSGBMG-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO Cc1csc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000793360595 586017581 /nfs/dbraw/zinc/01/75/81/586017581.db2.gz YUOUXRHIUIGDIM-UHFFFAOYSA-N 1 2 232.299 2.683 20 0 BFADLO COc1cc([NH2+]C(C)C)c(OC)c(C)c1OC ZINC000793390628 586017998 /nfs/dbraw/zinc/01/79/98/586017998.db2.gz LHGJDWFMWJRJMC-UHFFFAOYSA-N 1 2 239.315 2.841 20 0 BFADLO CC(C)=CC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000794549969 586043764 /nfs/dbraw/zinc/04/37/64/586043764.db2.gz PCKXDJDZAXXSTP-UHFFFAOYSA-N 1 2 244.294 2.652 20 0 BFADLO Cc1ccncc1C[N@H+](C)Cc1ccnc(F)c1 ZINC000859290593 589028597 /nfs/dbraw/zinc/02/85/97/589028597.db2.gz RHDALHFOWGHRMA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccncc1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859290593 589028599 /nfs/dbraw/zinc/02/85/99/589028599.db2.gz RHDALHFOWGHRMA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccn1 ZINC000796745863 586111346 /nfs/dbraw/zinc/11/13/46/586111346.db2.gz DOFIQXQRHVCGQJ-AAEUAGOBSA-N 1 2 244.342 2.997 20 0 BFADLO CC(C)Oc1cc[nH+]cc1COC(=O)C1CCC1 ZINC000806102236 586123389 /nfs/dbraw/zinc/12/33/89/586123389.db2.gz GUTYQTOJAOQQAM-UHFFFAOYSA-N 1 2 249.310 2.712 20 0 BFADLO CC(C)Oc1cc[nH+]cc1COC(=O)C1(C)CC1 ZINC000806104963 586124971 /nfs/dbraw/zinc/12/49/71/586124971.db2.gz HVGGHPXRXHBXBJ-UHFFFAOYSA-N 1 2 249.310 2.712 20 0 BFADLO CC1=CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000797998320 586134886 /nfs/dbraw/zinc/13/48/86/586134886.db2.gz GBTUNDNNGSOFFX-UHFFFAOYSA-N 1 2 220.316 2.950 20 0 BFADLO CC1=CCC[N@H+](Cc2ncc(C(C)C)o2)C1 ZINC000797998320 586134887 /nfs/dbraw/zinc/13/48/87/586134887.db2.gz GBTUNDNNGSOFFX-UHFFFAOYSA-N 1 2 220.316 2.950 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859318822 589031362 /nfs/dbraw/zinc/03/13/62/589031362.db2.gz JSVGDVMJHOTDFZ-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859318822 589031364 /nfs/dbraw/zinc/03/13/64/589031364.db2.gz JSVGDVMJHOTDFZ-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO CC(C)OCC(N)=[NH+]OCCCC(C)(C)C ZINC000799174482 586164959 /nfs/dbraw/zinc/16/49/59/586164959.db2.gz ISGLQQRFSAAXJF-UHFFFAOYSA-N 1 2 230.352 2.736 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccoc1)CCO2 ZINC000802656735 586309441 /nfs/dbraw/zinc/30/94/41/586309441.db2.gz SSNYGBOMAVKKHI-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccoc1)CCO2 ZINC000802656735 586309442 /nfs/dbraw/zinc/30/94/42/586309442.db2.gz SSNYGBOMAVKKHI-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO CC[C@@H](C)CCC(=O)OCCCn1cc[nH+]c1 ZINC000803880114 586379063 /nfs/dbraw/zinc/37/90/63/586379063.db2.gz HBPGIDUFMPTHEQ-GFCCVEGCSA-N 1 2 238.331 2.643 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)c(C)c1 ZINC000806159134 586406008 /nfs/dbraw/zinc/40/60/08/586406008.db2.gz YMXNCIBZPZKABW-JSGCOSHPSA-N 1 2 249.354 2.967 20 0 BFADLO OCCOc1ccc([NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000806157416 586406020 /nfs/dbraw/zinc/40/60/20/586406020.db2.gz RIQMEENCYWHLAU-GJZGRUSLSA-N 1 2 247.338 2.658 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)CCO)cc1 ZINC000806156598 586406340 /nfs/dbraw/zinc/40/63/40/586406340.db2.gz GHEKOZBWBVPOEQ-IUODEOHRSA-N 1 2 248.370 2.716 20 0 BFADLO Cc1nc(F)ccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000808432208 586472198 /nfs/dbraw/zinc/47/21/98/586472198.db2.gz XUOILVBJNYWOQE-SNVBAGLBSA-N 1 2 244.260 2.807 20 0 BFADLO Fc1ccc(C[NH2+]C2(C(F)F)CCCC2)cn1 ZINC000808451771 586472826 /nfs/dbraw/zinc/47/28/26/586472826.db2.gz XPJKOXLKGILRDV-UHFFFAOYSA-N 1 2 244.260 2.888 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(OCCCO)cc1 ZINC000809714283 586514511 /nfs/dbraw/zinc/51/45/11/586514511.db2.gz DEWSRPSGHHEJIT-VXGBXAGGSA-N 1 2 235.327 2.516 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(OCCCO)cc1 ZINC000809714884 586514661 /nfs/dbraw/zinc/51/46/61/586514661.db2.gz UQERCPYJWOGSJO-GFCCVEGCSA-N 1 2 237.343 2.904 20 0 BFADLO c1nc(NC2CC2)cc(NCCC2CCC2)[nH+]1 ZINC000840277178 586589877 /nfs/dbraw/zinc/58/98/77/586589877.db2.gz AMWRAAZCYWUWLL-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO c1nc(NCCC2CCC2)cc(NC2CC2)[nH+]1 ZINC000840277178 586589878 /nfs/dbraw/zinc/58/98/78/586589878.db2.gz AMWRAAZCYWUWLL-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO COc1ccc([NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1CO ZINC000813868106 586608365 /nfs/dbraw/zinc/60/83/65/586608365.db2.gz RFOMUMDHFYTDPO-OPQQBVKSSA-N 1 2 235.327 2.644 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)N(C)CCO3)[C@H]1C ZINC000813866373 586608423 /nfs/dbraw/zinc/60/84/23/586608423.db2.gz OJPFKVDSKRMIRQ-MDZLAQPJSA-N 1 2 246.354 2.972 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H]1CC[C@@H](C)C1 ZINC000815190688 586673496 /nfs/dbraw/zinc/67/34/96/586673496.db2.gz ZTKKXRYKJLTGKN-MWLCHTKSSA-N 1 2 248.326 2.777 20 0 BFADLO COc1cc2c(cc1Cl)C[N@H+](CCF)CC2 ZINC000815261934 586676124 /nfs/dbraw/zinc/67/61/24/586676124.db2.gz YSCBNKVRDSLQMK-UHFFFAOYSA-N 1 2 243.709 2.676 20 0 BFADLO COc1cc2c(cc1Cl)C[N@@H+](CCF)CC2 ZINC000815261934 586676125 /nfs/dbraw/zinc/67/61/25/586676125.db2.gz YSCBNKVRDSLQMK-UHFFFAOYSA-N 1 2 243.709 2.676 20 0 BFADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000815577482 586688434 /nfs/dbraw/zinc/68/84/34/586688434.db2.gz RNERZNUJYRPWSV-SNVBAGLBSA-N 1 2 233.290 2.708 20 0 BFADLO Cn1c[nH+]cc1COC(=O)C(C)(C)C(C)(C)C ZINC000815967534 586700487 /nfs/dbraw/zinc/70/04/87/586700487.db2.gz DDVYHAYVDAICBG-UHFFFAOYSA-N 1 2 238.331 2.536 20 0 BFADLO CCCc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000816833424 586766872 /nfs/dbraw/zinc/76/68/72/586766872.db2.gz IFUWTTSJYFGRIL-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)c1cccc(NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC000816833212 586767022 /nfs/dbraw/zinc/76/70/22/586767022.db2.gz ATXBCCSGQJBUTN-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ccc(NC(=O)Cc2[nH]cc[nH+]2)cc1Cl ZINC000816834497 586767547 /nfs/dbraw/zinc/76/75/47/586767547.db2.gz UHYWRQWYLNEVKP-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1c(Cl)cccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000816840677 586767558 /nfs/dbraw/zinc/76/75/58/586767558.db2.gz YCVYPLDYVBZBPR-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1nonc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000817409190 586801320 /nfs/dbraw/zinc/80/13/20/586801320.db2.gz CSKFTUVWAHSOQJ-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO Cc1cccc([C@@H]([NH2+][C@@H]2CCOC2=O)C(C)C)c1 ZINC000859850543 589066879 /nfs/dbraw/zinc/06/68/79/589066879.db2.gz PNHYAPXVAYZLEF-KGLIPLIRSA-N 1 2 247.338 2.597 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccns1 ZINC000860058417 589077883 /nfs/dbraw/zinc/07/78/83/589077883.db2.gz CWLZVWMWYAVYPC-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1cc(CNC(=O)C(F)=C2CCC2)cc(C)[nH+]1 ZINC000819577013 586979768 /nfs/dbraw/zinc/97/97/68/586979768.db2.gz ZPPZXGLISSPRRZ-UHFFFAOYSA-N 1 2 248.301 2.722 20 0 BFADLO CC(C)(C)/C=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000819599748 586980390 /nfs/dbraw/zinc/98/03/90/586980390.db2.gz AGIPBLUAWGGIBJ-XQRVVYSFSA-N 1 2 243.310 2.875 20 0 BFADLO C[C@@H]1C[NH+]=C(NC(=O)CCC2CCCC2)S1 ZINC000819760756 586990575 /nfs/dbraw/zinc/99/05/75/586990575.db2.gz RTWQFIKXQAFOIS-SECBINFHSA-N 1 2 240.372 2.564 20 0 BFADLO CC(C)=C(C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000821514849 587124397 /nfs/dbraw/zinc/12/43/97/587124397.db2.gz AZPXWAMBCDPAFS-LBPRGKRZSA-N 1 2 247.342 2.820 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)[C@@H]1CC12CC2 ZINC000822304544 587161433 /nfs/dbraw/zinc/16/14/33/587161433.db2.gz PYPSFOOVUJWQCZ-VIFPVBQESA-N 1 2 248.326 2.551 20 0 BFADLO CCCCC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822323396 587162413 /nfs/dbraw/zinc/16/24/13/587162413.db2.gz HMLZFZZGEXVGRC-UHFFFAOYSA-N 1 2 238.331 2.941 20 0 BFADLO CCCCC1(C(=O)NC2=[NH+]C[C@H](C)S2)CC1 ZINC000823304840 587215383 /nfs/dbraw/zinc/21/53/83/587215383.db2.gz ADGSEVXWMIRCLQ-VIFPVBQESA-N 1 2 240.372 2.564 20 0 BFADLO CC1(C)CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000823453762 587223521 /nfs/dbraw/zinc/22/35/21/587223521.db2.gz ZETRNZARLYSOHW-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CC1(C)CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000823453762 587223522 /nfs/dbraw/zinc/22/35/22/587223522.db2.gz ZETRNZARLYSOHW-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CS/C=C\C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836668 587241907 /nfs/dbraw/zinc/24/19/07/587241907.db2.gz OTSPFMCZYMRQQR-ALCCZGGFSA-N 1 2 222.313 2.514 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](F)C(C)C ZINC000823837121 587242049 /nfs/dbraw/zinc/24/20/49/587242049.db2.gz ZCOZREPFADDDMV-SNVBAGLBSA-N 1 2 224.279 2.631 20 0 BFADLO COc1ccc(Cl)cc1C[NH+]1CC2(CC2)C1 ZINC000824533875 587273095 /nfs/dbraw/zinc/27/30/95/587273095.db2.gz ROHKHEGKEWUJPT-UHFFFAOYSA-N 1 2 237.730 2.944 20 0 BFADLO FCC(CF)[NH2+]Cc1nccc2ccccc21 ZINC000824554248 587275999 /nfs/dbraw/zinc/27/59/99/587275999.db2.gz DCVFBTDVINYKQL-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)cnc1Cl ZINC000824571074 587277334 /nfs/dbraw/zinc/27/73/34/587277334.db2.gz IIWXNIPHYFYJTK-SNVBAGLBSA-N 1 2 228.698 2.587 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)cnc1Cl ZINC000824571074 587277335 /nfs/dbraw/zinc/27/73/35/587277335.db2.gz IIWXNIPHYFYJTK-SNVBAGLBSA-N 1 2 228.698 2.587 20 0 BFADLO CC[C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824916761 587293524 /nfs/dbraw/zinc/29/35/24/587293524.db2.gz ITYSRNRMXDQAEV-SNVBAGLBSA-N 1 2 245.326 2.729 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccccc2F)co1 ZINC000825050115 587299442 /nfs/dbraw/zinc/29/94/42/587299442.db2.gz IAKDEDRGGOLEDI-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC3)C2)c(F)c1F ZINC000826030233 587349170 /nfs/dbraw/zinc/34/91/70/587349170.db2.gz SXVPKFILTCHQOF-UHFFFAOYSA-N 1 2 227.229 2.700 20 0 BFADLO CC(C)c1nc(N[C@H]2CCS[C@@H]2C)cc[nH+]1 ZINC000826808868 587362957 /nfs/dbraw/zinc/36/29/57/587362957.db2.gz IDFIGSXLPLANMN-ZJUUUORDSA-N 1 2 237.372 2.906 20 0 BFADLO CCCC[C@](C)(F)C(=O)Nc1cc[nH+]c(C)c1 ZINC000827388860 587379398 /nfs/dbraw/zinc/37/93/98/587379398.db2.gz JMTHNORMFMFWTF-ZDUSSCGKSA-N 1 2 238.306 2.669 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000827506029 587383998 /nfs/dbraw/zinc/38/39/98/587383998.db2.gz BIYQDHCDMREFGU-RKDXNWHRSA-N 1 2 239.265 2.512 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1F ZINC000827506029 587384001 /nfs/dbraw/zinc/38/40/01/587384001.db2.gz BIYQDHCDMREFGU-RKDXNWHRSA-N 1 2 239.265 2.512 20 0 BFADLO CC/C(C)=C\C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000827553091 587387378 /nfs/dbraw/zinc/38/73/78/587387378.db2.gz YYRBPNWRJBCIBZ-KTKRTIGZSA-N 1 2 247.342 2.751 20 0 BFADLO C[N@H+](Cc1ccon1)C[C@]1(C)CC1(Cl)Cl ZINC000827878312 587407065 /nfs/dbraw/zinc/40/70/65/587407065.db2.gz RVEJVKZZHMNLKR-VIFPVBQESA-N 1 2 249.141 2.690 20 0 BFADLO C[N@@H+](Cc1ccon1)C[C@]1(C)CC1(Cl)Cl ZINC000827878312 587407066 /nfs/dbraw/zinc/40/70/66/587407066.db2.gz RVEJVKZZHMNLKR-VIFPVBQESA-N 1 2 249.141 2.690 20 0 BFADLO Cc1nc(NC[C@]2(C)CC2(Cl)Cl)cc[nH+]1 ZINC000828797653 587462478 /nfs/dbraw/zinc/46/24/78/587462478.db2.gz AMSBNQDXEXIHTF-VIFPVBQESA-N 1 2 246.141 2.781 20 0 BFADLO CC(C)O[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000828837853 587465474 /nfs/dbraw/zinc/46/54/74/587465474.db2.gz NSCRDFZKDBNMJD-HYHWUIIZSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)O[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000828837853 587465475 /nfs/dbraw/zinc/46/54/75/587465475.db2.gz NSCRDFZKDBNMJD-HYHWUIIZSA-N 1 2 238.158 2.805 20 0 BFADLO O=C(OCC1=CCCC1)c1ccc2[nH+]ccn2c1 ZINC000828842221 587465989 /nfs/dbraw/zinc/46/59/89/587465989.db2.gz OPFHWVNVICHRGT-UHFFFAOYSA-N 1 2 242.278 2.601 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000830211800 587541391 /nfs/dbraw/zinc/54/13/91/587541391.db2.gz CUSNCXDMGMTPEE-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000830211800 587541392 /nfs/dbraw/zinc/54/13/92/587541392.db2.gz CUSNCXDMGMTPEE-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO CCCCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000832196231 587649887 /nfs/dbraw/zinc/64/98/87/587649887.db2.gz PFQPGVIPTJMUJD-SNVBAGLBSA-N 1 2 223.307 2.515 20 0 BFADLO CCCCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC000832196231 587649889 /nfs/dbraw/zinc/64/98/89/587649889.db2.gz PFQPGVIPTJMUJD-SNVBAGLBSA-N 1 2 223.307 2.515 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)oc1C ZINC000834830465 587768344 /nfs/dbraw/zinc/76/83/44/587768344.db2.gz FCVGISPKZQDZQG-CMPLNLGQSA-N 1 2 245.326 2.889 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000834836426 587768475 /nfs/dbraw/zinc/76/84/75/587768475.db2.gz NIJWVDKOKOQYMU-ZYHUDNBSSA-N 1 2 245.326 2.834 20 0 BFADLO CC(C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)=C1CCC1 ZINC000836962488 587843982 /nfs/dbraw/zinc/84/39/82/587843982.db2.gz ZUOUHDRAVYMRIN-BXKDBHETSA-N 1 2 245.326 2.506 20 0 BFADLO CC/C=C(/C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837102844 587853785 /nfs/dbraw/zinc/85/37/85/587853785.db2.gz CVHRKUKOTBFMOC-POHAHGRESA-N 1 2 232.327 2.671 20 0 BFADLO CC(C)CCCC(=O)OCCCn1cc[nH+]c1 ZINC000837826495 587898377 /nfs/dbraw/zinc/89/83/77/587898377.db2.gz GUDCMRYRWYFYJN-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841040873 587938309 /nfs/dbraw/zinc/93/83/09/587938309.db2.gz VYLPZPGQFYASIW-VIFPVBQESA-N 1 2 208.305 2.735 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)CC(C)C ZINC000842032757 587991043 /nfs/dbraw/zinc/99/10/43/587991043.db2.gz HELORXRJYRBZNV-RYUDHWBXSA-N 1 2 244.379 2.981 20 0 BFADLO CC(C)C[C@H](C)O[NH+]=C(N)Cc1cccnc1 ZINC000842036549 587992197 /nfs/dbraw/zinc/99/21/97/587992197.db2.gz NUYYGULGHXTTRL-NSHDSACASA-N 1 2 235.331 2.557 20 0 BFADLO NC(=[NH+]OCCC1=CCCCC1)[C@H]1CCCO1 ZINC000842046630 587992502 /nfs/dbraw/zinc/99/25/02/587992502.db2.gz FONGEWBGTDCVDR-GFCCVEGCSA-N 1 2 238.331 2.554 20 0 BFADLO NC(Cc1ccccc1)=[NH+]OCC1=CCCC1 ZINC000842649047 588048917 /nfs/dbraw/zinc/04/89/17/588048917.db2.gz TVSNSMHSFSTXQI-UHFFFAOYSA-N 1 2 230.311 2.838 20 0 BFADLO CC[NH2+]Cc1noc(CCCCCC(C)C)n1 ZINC000843144845 588086518 /nfs/dbraw/zinc/08/65/18/588086518.db2.gz LYOLWPZTDBUMEJ-UHFFFAOYSA-N 1 2 239.363 2.938 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(/C)c2ccccc2)n1 ZINC000843145463 588086569 /nfs/dbraw/zinc/08/65/69/588086569.db2.gz MOCWNEOLOLMXIT-LUAWRHEFSA-N 1 2 243.310 2.740 20 0 BFADLO C[C@H](CC(=O)OC[C@@H]1CC=CCC1)n1cc[nH+]c1 ZINC000844271866 588178793 /nfs/dbraw/zinc/17/87/93/588178793.db2.gz KYAVHLPWJWHGGD-CHWSQXEVSA-N 1 2 248.326 2.734 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+]1CCC12CCCC2 ZINC000844360763 588187906 /nfs/dbraw/zinc/18/79/06/588187906.db2.gz SADCNVWSLXUPIH-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+]1CCC12CCCC2 ZINC000844360763 588187908 /nfs/dbraw/zinc/18/79/08/588187908.db2.gz SADCNVWSLXUPIH-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccoc1 ZINC000844707404 588214822 /nfs/dbraw/zinc/21/48/22/588214822.db2.gz SNVJSENLVVIMKE-UHFFFAOYSA-N 1 2 202.257 2.849 20 0 BFADLO CC/C=C/CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845283274 588225137 /nfs/dbraw/zinc/22/51/37/588225137.db2.gz BIYMPQOJTZBLPD-ITKZLYELSA-N 1 2 236.315 2.734 20 0 BFADLO CC(C)C[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284279 588225650 /nfs/dbraw/zinc/22/56/50/588225650.db2.gz AQJIMVKKBLKTRY-RYUDHWBXSA-N 1 2 238.331 2.812 20 0 BFADLO CCC[C@@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283364 588225687 /nfs/dbraw/zinc/22/56/87/588225687.db2.gz VWDGSIZIZGLPAE-GHMZBOCLSA-N 1 2 224.304 2.566 20 0 BFADLO C[C@H](CC(=O)OC1(C)CCCC1)n1cc[nH+]c1 ZINC000845486689 588230373 /nfs/dbraw/zinc/23/03/73/588230373.db2.gz ICKOLJRDWAAUSG-LLVKDONJSA-N 1 2 236.315 2.710 20 0 BFADLO CSc1ccc[nH+]c1NC[C@@H]1CCCOC1 ZINC000846062023 588254838 /nfs/dbraw/zinc/25/48/38/588254838.db2.gz YTICQKCEEYGAHM-JTQLQIEISA-N 1 2 238.356 2.642 20 0 BFADLO C[C@@H]1CC/C(=C\C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000846244591 588262424 /nfs/dbraw/zinc/26/24/24/588262424.db2.gz LCLHMDGHQVNKDV-OYVNLZQHSA-N 1 2 247.342 2.507 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]C[C@H]3CCCOC3)ccc2O1 ZINC000846749740 588285142 /nfs/dbraw/zinc/28/51/42/588285142.db2.gz PSYZTJFLQCIHCP-VXGBXAGGSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@@H]3CCOC[C@@H]3C)ccc2O1 ZINC000846751327 588285380 /nfs/dbraw/zinc/28/53/80/588285380.db2.gz CXLZGCKZKLPAND-MISXGVKJSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)C[C@@H](C)O2)[C@H]1CCOC1 ZINC000846755313 588286043 /nfs/dbraw/zinc/28/60/43/588286043.db2.gz GQLAUVOLXFGBAN-UTUOFQBUSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1CCOC1 ZINC000846755309 588286052 /nfs/dbraw/zinc/28/60/52/588286052.db2.gz GQLAUVOLXFGBAN-GRYCIOLGSA-N 1 2 247.338 2.847 20 0 BFADLO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cnsn2)C1 ZINC000846775040 588287466 /nfs/dbraw/zinc/28/74/66/588287466.db2.gz VRESIVWSZQEUCM-GXSJLCMTSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cnsn2)C1 ZINC000846775040 588287467 /nfs/dbraw/zinc/28/74/67/588287467.db2.gz VRESIVWSZQEUCM-GXSJLCMTSA-N 1 2 225.361 2.549 20 0 BFADLO CC(C)C[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846815108 588290707 /nfs/dbraw/zinc/29/07/07/588290707.db2.gz JCCSMFYCAANAIR-LLVKDONJSA-N 1 2 239.388 2.796 20 0 BFADLO CC(C)C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846815108 588290708 /nfs/dbraw/zinc/29/07/08/588290708.db2.gz JCCSMFYCAANAIR-LLVKDONJSA-N 1 2 239.388 2.796 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)Cc1cnsn1 ZINC000846828971 588291401 /nfs/dbraw/zinc/29/14/01/588291401.db2.gz MVUKXVBIEYFWHC-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846828971 588291402 /nfs/dbraw/zinc/29/14/02/588291402.db2.gz MVUKXVBIEYFWHC-VIFPVBQESA-N 1 2 245.417 2.502 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846922025 588296891 /nfs/dbraw/zinc/29/68/91/588296891.db2.gz BZAQHHMITPHLTR-JGVFFNPUSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846922025 588296892 /nfs/dbraw/zinc/29/68/92/588296892.db2.gz BZAQHHMITPHLTR-JGVFFNPUSA-N 1 2 228.698 2.714 20 0 BFADLO CC1(C)CC[C@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC000846959352 588298519 /nfs/dbraw/zinc/29/85/19/588298519.db2.gz HDRDKIIBBQDZIZ-CYBMUJFWSA-N 1 2 247.338 2.508 20 0 BFADLO CC(C)c1ccccc1C[NH2+]CC(F)(F)CO ZINC000848546434 588395188 /nfs/dbraw/zinc/39/51/88/588395188.db2.gz AZKCDHAEDKHTOJ-UHFFFAOYSA-N 1 2 243.297 2.527 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)OCCC(C)C)ccn12 ZINC000848780626 588413523 /nfs/dbraw/zinc/41/35/23/588413523.db2.gz SVOVGEZJDKMCQM-UHFFFAOYSA-N 1 2 246.310 2.846 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)OCCC3CC3)ccn12 ZINC000848781805 588413763 /nfs/dbraw/zinc/41/37/63/588413763.db2.gz OTUWPHTUOYHJKU-UHFFFAOYSA-N 1 2 244.294 2.600 20 0 BFADLO Cc1nc(C[NH2+]Cc2c(C)cccc2F)[nH]c1C ZINC000850161262 588522365 /nfs/dbraw/zinc/52/23/65/588522365.db2.gz YJXSGHZWOVTODX-UHFFFAOYSA-N 1 2 247.317 2.764 20 0 BFADLO Cc1[nH]c(CNCc2c(C)cccc2F)[nH+]c1C ZINC000850161262 588522366 /nfs/dbraw/zinc/52/23/66/588522366.db2.gz YJXSGHZWOVTODX-UHFFFAOYSA-N 1 2 247.317 2.764 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2COC3(CCC3)C2)c1 ZINC000850452103 588547953 /nfs/dbraw/zinc/54/79/53/588547953.db2.gz MILRPENFRZSWSI-GFCCVEGCSA-N 1 2 218.300 2.514 20 0 BFADLO ClC(Cl)=CC[N@@H+]1CCOC2(CCC2)C1 ZINC000851883091 588639596 /nfs/dbraw/zinc/63/95/96/588639596.db2.gz AYEOUCBODDNWLP-UHFFFAOYSA-N 1 2 236.142 2.560 20 0 BFADLO ClC(Cl)=CC[N@H+]1CCOC2(CCC2)C1 ZINC000851883091 588639597 /nfs/dbraw/zinc/63/95/97/588639597.db2.gz AYEOUCBODDNWLP-UHFFFAOYSA-N 1 2 236.142 2.560 20 0 BFADLO ClC(Cl)=CCN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000851886584 588640571 /nfs/dbraw/zinc/64/05/71/588640571.db2.gz IDGVLLSZSSCPDP-QMMMGPOBSA-N 1 2 246.141 2.866 20 0 BFADLO FC(F)(Br)C[NH2+]C1(C2CC2)CC1 ZINC000851925297 588644477 /nfs/dbraw/zinc/64/44/77/588644477.db2.gz VMXMZIXOFGRCDL-UHFFFAOYSA-N 1 2 240.091 2.506 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccoc1 ZINC000851932592 588645168 /nfs/dbraw/zinc/64/51/68/588645168.db2.gz HUDTZYKOBQFDSK-VIFPVBQESA-N 1 2 232.283 2.996 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@H](C)[C@H](C)O1 ZINC000851967717 588648802 /nfs/dbraw/zinc/64/88/02/588648802.db2.gz DXDQARNTIHYACQ-HLTSFMKQSA-N 1 2 238.158 2.803 20 0 BFADLO CC[N@H+](C/C=C\Cl)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306790 588677582 /nfs/dbraw/zinc/67/75/82/588677582.db2.gz RRTFTDYQLMJPCJ-DMEOUFDRSA-N 1 2 247.766 2.791 20 0 BFADLO CC[N@@H+](C/C=C\Cl)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306790 588677583 /nfs/dbraw/zinc/67/75/83/588677583.db2.gz RRTFTDYQLMJPCJ-DMEOUFDRSA-N 1 2 247.766 2.791 20 0 BFADLO COC(=O)C[N@H+](C/C=C/Cl)C1CCCCC1 ZINC000852414199 588681588 /nfs/dbraw/zinc/68/15/88/588681588.db2.gz LKDZMAYKKAQURG-VMPITWQZSA-N 1 2 245.750 2.547 20 0 BFADLO COC(=O)C[N@@H+](C/C=C/Cl)C1CCCCC1 ZINC000852414199 588681589 /nfs/dbraw/zinc/68/15/89/588681589.db2.gz LKDZMAYKKAQURG-VMPITWQZSA-N 1 2 245.750 2.547 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)Br)C1CC1 ZINC000852555175 588689844 /nfs/dbraw/zinc/68/98/44/588689844.db2.gz KYTDAGBSSAFWKZ-ZETCQYMHSA-N 1 2 242.107 2.752 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)C12CC(C1)C2 ZINC000860838454 589123282 /nfs/dbraw/zinc/12/32/82/589123282.db2.gz PMKNCDQBAAQBCG-UHFFFAOYSA-N 1 2 248.326 2.551 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2Cc3ccccc3[C@H](C)C2)n1 ZINC000862211702 589194744 /nfs/dbraw/zinc/19/47/44/589194744.db2.gz BFOHRTITPAGMKX-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1c[nH]c(C[N@H+]2Cc3ccccc3[C@H](C)C2)n1 ZINC000862211702 589194746 /nfs/dbraw/zinc/19/47/46/589194746.db2.gz BFOHRTITPAGMKX-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cnc(C)o2)no1 ZINC000862224493 589195775 /nfs/dbraw/zinc/19/57/75/589195775.db2.gz KKETUKDDRZIRQO-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2cnc(C)o2)no1 ZINC000862224493 589195776 /nfs/dbraw/zinc/19/57/76/589195776.db2.gz KKETUKDDRZIRQO-CYBMUJFWSA-N 1 2 247.298 2.617 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccnc(F)c1C ZINC000862489652 589217397 /nfs/dbraw/zinc/21/73/97/589217397.db2.gz RZDPDSOLBZCPBL-UHFFFAOYSA-N 1 2 232.249 2.664 20 0 BFADLO Cc1cc(C[NH+]2CC(Cc3cccs3)C2)no1 ZINC000862539845 589218805 /nfs/dbraw/zinc/21/88/05/589218805.db2.gz SVHSYAQKJXSOAF-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO C[C@H]1C[C@@H]1CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000863455163 589288996 /nfs/dbraw/zinc/28/89/96/589288996.db2.gz XQNNQGRBBITVIT-WCBMZHEXSA-N 1 2 238.718 2.843 20 0 BFADLO CC1(C)CC(CO[NH+]=C(N)Cc2cccnc2)C1 ZINC000863460680 589290471 /nfs/dbraw/zinc/29/04/71/589290471.db2.gz HVQXXQZKHHAOMN-UHFFFAOYSA-N 1 2 247.342 2.559 20 0 BFADLO COC1(C(N)=[NH+]OCC2(C)CCC2)CCCC1 ZINC000863477868 589292254 /nfs/dbraw/zinc/29/22/54/589292254.db2.gz ZKJMBMPBSDOPAA-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000863577831 589300975 /nfs/dbraw/zinc/30/09/75/589300975.db2.gz LOKVLRFZYDPNGW-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@H](O)c1ccccc1C ZINC000863577832 589301030 /nfs/dbraw/zinc/30/10/30/589301030.db2.gz LOKVLRFZYDPNGW-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO Cc1[nH+]cc(-c2ccc3c(c2)C[C@@H](C)O3)cc1N ZINC000863678795 589310226 /nfs/dbraw/zinc/31/02/26/589310226.db2.gz CNJXKHHIDFHFOT-SECBINFHSA-N 1 2 240.306 2.963 20 0 BFADLO c1[nH+]c2n(c1-c1ccc3c(c1)OCO3)CCCC2 ZINC000863974892 589331130 /nfs/dbraw/zinc/33/11/30/589331130.db2.gz VQDSXRZNZHIRAU-UHFFFAOYSA-N 1 2 242.278 2.615 20 0 BFADLO Cc1c[nH]c(C[NH+]2CC([C@@H]3CCC[C@@H](C)C3)C2)n1 ZINC000864055890 589336281 /nfs/dbraw/zinc/33/62/81/589336281.db2.gz ZZGZAHPWLYWXRE-DGCLKSJQSA-N 1 2 247.386 2.976 20 0 BFADLO C[C@H](O)c1cccc(NC[C@]2(C)CC2(F)F)[nH+]1 ZINC000864093241 589344167 /nfs/dbraw/zinc/34/41/67/589344167.db2.gz KTCHBSUHJHJIFG-KWQFWETISA-N 1 2 242.269 2.592 20 0 BFADLO C/C(=C\c1cn(C2CC2)c[nH+]1)c1cnccn1 ZINC000865222548 589414645 /nfs/dbraw/zinc/41/46/45/589414645.db2.gz XQRONFLNZQFKGT-UXBLZVDNSA-N 1 2 226.283 2.569 20 0 BFADLO c1cn(CCSCc2coc(C3CC3)n2)c[nH+]1 ZINC000865285891 589419423 /nfs/dbraw/zinc/41/94/23/589419423.db2.gz NECFYPLOSJBSEW-UHFFFAOYSA-N 1 2 249.339 2.682 20 0 BFADLO C[C@H]1CC[C@H](Cn2c[nH+]c(C(C)(C)C)c2)O1 ZINC000865376282 589428023 /nfs/dbraw/zinc/42/80/23/589428023.db2.gz HHHWMDJVKOFDFX-WDEREUQCSA-N 1 2 222.332 2.748 20 0 BFADLO C[C@@H]1CC[C@@H](Cn2c[nH+]c(C(C)(C)C)c2)O1 ZINC000865376280 589428061 /nfs/dbraw/zinc/42/80/61/589428061.db2.gz HHHWMDJVKOFDFX-MNOVXSKESA-N 1 2 222.332 2.748 20 0 BFADLO CC(C)OCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375427 589428112 /nfs/dbraw/zinc/42/81/12/589428112.db2.gz VKGXOZVULALVOA-UHFFFAOYSA-N 1 2 210.321 2.606 20 0 BFADLO CC(C)c1noc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375865 589428503 /nfs/dbraw/zinc/42/85/03/589428503.db2.gz ONMBNGRQDUYHMI-UHFFFAOYSA-N 1 2 248.330 2.735 20 0 BFADLO CCCCOCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375196 589428545 /nfs/dbraw/zinc/42/85/45/589428545.db2.gz GAMAZBZCUXQBRD-UHFFFAOYSA-N 1 2 224.348 2.997 20 0 BFADLO Cc1ncc(Cn2c[nH+]c(C(C)(C)C)c2)s1 ZINC000865375912 589428554 /nfs/dbraw/zinc/42/85/54/589428554.db2.gz QOXYTBCNBQIXBA-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO CC(C)(C)c1cn(CC[C@H]2CCCO2)c[nH+]1 ZINC000865376528 589428820 /nfs/dbraw/zinc/42/88/20/589428820.db2.gz RMTNPODHCGQKCB-LLVKDONJSA-N 1 2 222.332 2.750 20 0 BFADLO COC(C)(C)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376509 589428887 /nfs/dbraw/zinc/42/88/87/589428887.db2.gz QMWBDSUSMQFCNA-UHFFFAOYSA-N 1 2 224.348 2.996 20 0 BFADLO CCOCCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865401614 589432816 /nfs/dbraw/zinc/43/28/16/589432816.db2.gz DWFQRLFMGYUSSD-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO CC(C)Cc1cc(NCC[C@H]2CCCO2)nc[nH+]1 ZINC000865429594 589435495 /nfs/dbraw/zinc/43/54/95/589435495.db2.gz ZHGIOOMREYSENX-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)cn1 ZINC000865496027 589441335 /nfs/dbraw/zinc/44/13/35/589441335.db2.gz POKAZMNYXOTVLY-UHFFFAOYSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1ncccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865505962 589441473 /nfs/dbraw/zinc/44/14/73/589441473.db2.gz NENVFSQIMSMISR-UHFFFAOYSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1[nH+]cccc1NCc1cn(C2CC2)cn1 ZINC000865505962 589441475 /nfs/dbraw/zinc/44/14/75/589441475.db2.gz NENVFSQIMSMISR-UHFFFAOYSA-N 1 2 228.299 2.534 20 0 BFADLO C[C@@H](NCc1cn(C2CC2)c[nH+]1)c1cscn1 ZINC000865623281 589452153 /nfs/dbraw/zinc/45/21/53/589452153.db2.gz NDNUGINDZXFQDL-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)Cc1cc(NCCOC(C)C)nc[nH+]1 ZINC000865677283 589455754 /nfs/dbraw/zinc/45/57/54/589455754.db2.gz VICXJLYREUUEIB-UHFFFAOYSA-N 1 2 237.347 2.512 20 0 BFADLO CCCCc1cc(NC[C@@H]2CCC=CO2)nc[nH+]1 ZINC000865708980 589457700 /nfs/dbraw/zinc/45/77/00/589457700.db2.gz IXIUYRLVIXPKDQ-ZDUSSCGKSA-N 1 2 247.342 2.924 20 0 BFADLO CCCCc1cc(NCc2ocnc2C)nc[nH+]1 ZINC000865823950 589463366 /nfs/dbraw/zinc/46/33/66/589463366.db2.gz ILNUGHKDTXMGMM-UHFFFAOYSA-N 1 2 246.314 2.728 20 0 BFADLO CC(C)Cc1cc(NCC[C@H](C)F)nc[nH+]1 ZINC000865834198 589463848 /nfs/dbraw/zinc/46/38/48/589463848.db2.gz OMDKQLDTXLFRON-JTQLQIEISA-N 1 2 225.311 2.835 20 0 BFADLO CC(C)[C@@H]1C[C@H]1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865857508 589465199 /nfs/dbraw/zinc/46/51/99/589465199.db2.gz SCDOMOBQBOOKGN-WXHSDQCUSA-N 1 2 234.343 2.839 20 0 BFADLO CC(C)[C@@H]1C[C@H]1CNc1ccc([C@H](C)O)c[nH+]1 ZINC000865857507 589465248 /nfs/dbraw/zinc/46/52/48/589465248.db2.gz SCDOMOBQBOOKGN-DRZSPHRISA-N 1 2 234.343 2.839 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000865861716 589465729 /nfs/dbraw/zinc/46/57/29/589465729.db2.gz YUPWQTXPKFZKPY-IUODEOHRSA-N 1 2 244.338 2.585 20 0 BFADLO C[C@H](O)c1ccc(N2CC(C)(C)C[C@@H]2C)[nH+]c1 ZINC000865882189 589467351 /nfs/dbraw/zinc/46/73/51/589467351.db2.gz RTWPBDYTNICWFU-QWRGUYRKSA-N 1 2 234.343 2.760 20 0 BFADLO CC(C)c1nc(N2CC[C@H]2C(F)(F)F)cc[nH+]1 ZINC000865923235 589468686 /nfs/dbraw/zinc/46/86/86/589468686.db2.gz KRMDFFXRDFWFIZ-QMMMGPOBSA-N 1 2 245.248 2.741 20 0 BFADLO C[C@H](O)c1ccc(NCCCc2ccco2)[nH+]c1 ZINC000865952789 589469976 /nfs/dbraw/zinc/46/99/76/589469976.db2.gz QPULFOSJGCWWKP-NSHDSACASA-N 1 2 246.310 2.773 20 0 BFADLO CCc1csc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000865954800 589470260 /nfs/dbraw/zinc/47/02/60/589470260.db2.gz DBELPLGOIHZTAM-MRVPVSSYSA-N 1 2 236.344 2.612 20 0 BFADLO CCc1csc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000865954803 589470285 /nfs/dbraw/zinc/47/02/85/589470285.db2.gz DBELPLGOIHZTAM-QMMMGPOBSA-N 1 2 236.344 2.612 20 0 BFADLO CC(C)c1nc(NCc2ccnc(F)c2)cc[nH+]1 ZINC000866088503 589475225 /nfs/dbraw/zinc/47/52/25/589475225.db2.gz NGFJKNJPOPGBBH-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000866240739 589482270 /nfs/dbraw/zinc/48/22/70/589482270.db2.gz MOYMENBINWPUNQ-GXTWGEPZSA-N 1 2 247.269 2.841 20 0 BFADLO CC[C@@H](C[C@H](C)O)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000866300623 589484797 /nfs/dbraw/zinc/48/47/97/589484797.db2.gz XINATEYSHDUMCD-JQWIXIFHSA-N 1 2 249.358 2.624 20 0 BFADLO C/C=C/COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000121789918 589532558 /nfs/dbraw/zinc/53/25/58/589532558.db2.gz GRVHACJENRYXPI-YVARQFDVSA-N 1 2 247.338 2.799 20 0 BFADLO C/C=C/COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000121789918 589532559 /nfs/dbraw/zinc/53/25/59/589532559.db2.gz GRVHACJENRYXPI-YVARQFDVSA-N 1 2 247.338 2.799 20 0 BFADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)c(C)o1 ZINC000121938323 589540953 /nfs/dbraw/zinc/54/09/53/589540953.db2.gz FBXXCXXIZYAQAC-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO CCCCC(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122268972 589574355 /nfs/dbraw/zinc/57/43/55/589574355.db2.gz BXSIUHMFVZIYQM-UHFFFAOYSA-N 1 2 237.299 2.632 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1cccnc1Cl ZINC000122427604 589589191 /nfs/dbraw/zinc/58/91/91/589589191.db2.gz FULZXXSAKNSVQF-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ccon2)o1 ZINC000122442028 589591430 /nfs/dbraw/zinc/59/14/30/589591430.db2.gz DLAIZELYBITAFQ-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1ccccc1C ZINC000122915871 589643469 /nfs/dbraw/zinc/64/34/69/589643469.db2.gz MWGGITXMCZIKDA-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@H]1C(=O)Oc1ccccc1C ZINC000122915871 589643471 /nfs/dbraw/zinc/64/34/71/589643471.db2.gz MWGGITXMCZIKDA-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO COc1cc([NH2+][C@@H](C)C2CCC2)ccc1N ZINC000123913102 589852514 /nfs/dbraw/zinc/85/25/14/589852514.db2.gz UECFWFPSDQMJOP-VIFPVBQESA-N 1 2 220.316 2.878 20 0 BFADLO CC(C)CC[C@H](O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000871989979 589854853 /nfs/dbraw/zinc/85/48/53/589854853.db2.gz WALLVIHKVXZVQH-LBPRGKRZSA-N 1 2 238.375 2.978 20 0 BFADLO CC(C)(C)c1cn(CC2(O)CCCCC2)c[nH+]1 ZINC000871989301 589854963 /nfs/dbraw/zinc/85/49/63/589854963.db2.gz LCFGMODPLKKGMZ-UHFFFAOYSA-N 1 2 236.359 2.876 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@H]1CCCOC1 ZINC000872082318 589866301 /nfs/dbraw/zinc/86/63/01/589866301.db2.gz UMWCFRDUAKXKLB-LPEHRKFASA-N 1 2 239.281 2.732 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000872135868 589879258 /nfs/dbraw/zinc/87/92/58/589879258.db2.gz ISEHCUDFLDMMCI-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CCn1ncc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1C ZINC000872139977 589880937 /nfs/dbraw/zinc/88/09/37/589880937.db2.gz UQLXWPOVCRGFEG-GXSJLCMTSA-N 1 2 245.330 2.526 20 0 BFADLO CC(C)(C)OC(=O)[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC000872763306 589967134 /nfs/dbraw/zinc/96/71/34/589967134.db2.gz CTGZRDCRVSVLRT-XYPYZODXSA-N 1 2 248.326 2.614 20 0 BFADLO c1cc(N[C@H]2CC23CCC3)nc(C2CC2)[nH+]1 ZINC000872775394 589968151 /nfs/dbraw/zinc/96/81/51/589968151.db2.gz TXXQENQTYIJHAJ-JTQLQIEISA-N 1 2 215.300 2.709 20 0 BFADLO CC(C)c1nc(N[C@@H]2CC23CCC3)cc[nH+]1 ZINC000872775379 589968523 /nfs/dbraw/zinc/96/85/23/589968523.db2.gz SXKWZRYEZSVOSS-SNVBAGLBSA-N 1 2 217.316 2.955 20 0 BFADLO CCn1ncc(NCc2[nH+]ccn2C(C)C)c1C ZINC000873196866 589991350 /nfs/dbraw/zinc/99/13/50/589991350.db2.gz SOURKNHBDFQGPC-UHFFFAOYSA-N 1 2 247.346 2.601 20 0 BFADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC12CC2 ZINC000873625374 590063289 /nfs/dbraw/zinc/06/32/89/590063289.db2.gz YSDYFDYBXBDUSJ-QJPTWQEYSA-N 1 2 248.326 2.566 20 0 BFADLO CCC[C@@H](C)C[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125633 590076891 /nfs/dbraw/zinc/07/68/91/590076891.db2.gz SDGAYBUQAKZYQE-SNVBAGLBSA-N 1 2 248.326 2.866 20 0 BFADLO CC(C)[C@@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124917357 590098834 /nfs/dbraw/zinc/09/88/34/590098834.db2.gz CRGXUWHBFHXLOU-MNOVXSKESA-N 1 2 222.332 2.616 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1c[nH+]ccc1OC ZINC000874258183 590099381 /nfs/dbraw/zinc/09/93/81/590099381.db2.gz ANJYKONXNYZJPO-SNVBAGLBSA-N 1 2 236.315 2.855 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccns2)no1 ZINC000876592824 590219251 /nfs/dbraw/zinc/21/92/51/590219251.db2.gz RJWDPGVLCXJERH-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccns2)no1 ZINC000876592824 590219252 /nfs/dbraw/zinc/21/92/52/590219252.db2.gz RJWDPGVLCXJERH-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Fc1cccc2c1CC[N@H+](Cc1ccns1)C2 ZINC000876719398 590233629 /nfs/dbraw/zinc/23/36/29/590233629.db2.gz KFBQWSWOLCBMQH-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc2c1CC[N@@H+](Cc1ccns1)C2 ZINC000876719398 590233631 /nfs/dbraw/zinc/23/36/31/590233631.db2.gz KFBQWSWOLCBMQH-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO OCCOc1ccc([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000876858440 590250709 /nfs/dbraw/zinc/25/07/09/590250709.db2.gz SRPVZSPUDJIAJG-CLLJXQQHSA-N 1 2 247.338 2.516 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc(Cl)c1N ZINC000877552780 590355628 /nfs/dbraw/zinc/35/56/28/590355628.db2.gz WXCGJAGSJGXEEA-UHFFFAOYSA-N 1 2 234.677 2.667 20 0 BFADLO Clc1cncc(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877649677 590384115 /nfs/dbraw/zinc/38/41/15/590384115.db2.gz DZPORRXMAGDPSF-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1cncc(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877649677 590384118 /nfs/dbraw/zinc/38/41/18/590384118.db2.gz DZPORRXMAGDPSF-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO CC1(C)C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000877717622 590399966 /nfs/dbraw/zinc/39/99/66/590399966.db2.gz MNKKJUQYDRFGDF-UHFFFAOYSA-N 1 2 227.254 2.512 20 0 BFADLO Cc1ccoc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877769612 590421504 /nfs/dbraw/zinc/42/15/04/590421504.db2.gz GBVVOKZDYCDDIK-UHFFFAOYSA-N 1 2 223.316 2.587 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(Cl)nc1 ZINC000126878651 590479473 /nfs/dbraw/zinc/47/94/73/590479473.db2.gz QLWAGSHFXQUCAB-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[N@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878050836 590482900 /nfs/dbraw/zinc/48/29/00/590482900.db2.gz AEGHDTAGDLALDX-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO C[N@@H+](CC(F)F)CC1CC2(CCC2)C1 ZINC000878050836 590482902 /nfs/dbraw/zinc/48/29/02/590482902.db2.gz AEGHDTAGDLALDX-UHFFFAOYSA-N 1 2 203.276 2.764 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000878101211 590493772 /nfs/dbraw/zinc/49/37/72/590493772.db2.gz OYWCSWUPBIMUKS-CYBMUJFWSA-N 1 2 239.265 2.691 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000878101211 590493775 /nfs/dbraw/zinc/49/37/75/590493775.db2.gz OYWCSWUPBIMUKS-CYBMUJFWSA-N 1 2 239.265 2.691 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878199451 590522795 /nfs/dbraw/zinc/52/27/95/590522795.db2.gz AMSUHKATKARVET-SDDRHHMPSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878199451 590522796 /nfs/dbraw/zinc/52/27/96/590522796.db2.gz AMSUHKATKARVET-SDDRHHMPSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000878213153 590525296 /nfs/dbraw/zinc/52/52/96/590525296.db2.gz FEFSIRMTRGRZCL-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000878213153 590525297 /nfs/dbraw/zinc/52/52/97/590525297.db2.gz FEFSIRMTRGRZCL-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242213 590528368 /nfs/dbraw/zinc/52/83/68/590528368.db2.gz HKSRFOZGQHXXFB-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1conc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000878242213 590528370 /nfs/dbraw/zinc/52/83/70/590528370.db2.gz HKSRFOZGQHXXFB-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000878314473 590540964 /nfs/dbraw/zinc/54/09/64/590540964.db2.gz VTWNBSQXSNIPIN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000878314473 590540966 /nfs/dbraw/zinc/54/09/66/590540966.db2.gz VTWNBSQXSNIPIN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Clc1cncc(Cl)c1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000878316032 590541705 /nfs/dbraw/zinc/54/17/05/590541705.db2.gz FDWOCPMMIJMOOI-WRWORJQWSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cncc(Cl)c1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000878316032 590541707 /nfs/dbraw/zinc/54/17/07/590541707.db2.gz FDWOCPMMIJMOOI-WRWORJQWSA-N 1 2 243.137 2.983 20 0 BFADLO FC(F)[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000878321254 590545389 /nfs/dbraw/zinc/54/53/89/590545389.db2.gz UNUVPUCQLPEGLZ-SECBINFHSA-N 1 2 242.269 2.639 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000878321254 590545391 /nfs/dbraw/zinc/54/53/91/590545391.db2.gz UNUVPUCQLPEGLZ-SECBINFHSA-N 1 2 242.269 2.639 20 0 BFADLO Cc1conc1C[NH2+]C1(c2ccccc2)CC1 ZINC000878359182 590553517 /nfs/dbraw/zinc/55/35/17/590553517.db2.gz FXWDDYDEQRZXEO-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO Cc1conc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000878401910 590560577 /nfs/dbraw/zinc/56/05/77/590560577.db2.gz AITRIEIYBCBXDI-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1scnc1Cl ZINC000878532473 590587241 /nfs/dbraw/zinc/58/72/41/590587241.db2.gz CWYPGPTXQJTUKT-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1scnc1Cl ZINC000878532473 590587242 /nfs/dbraw/zinc/58/72/42/590587242.db2.gz CWYPGPTXQJTUKT-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO CC1(C)CCC[C@@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000878547876 590589973 /nfs/dbraw/zinc/58/99/73/590589973.db2.gz BSVMERZGWXYDDC-ZDUSSCGKSA-N 1 2 246.354 2.745 20 0 BFADLO CC1(C)CCC[C@@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000878547876 590589974 /nfs/dbraw/zinc/58/99/74/590589974.db2.gz BSVMERZGWXYDDC-ZDUSSCGKSA-N 1 2 246.354 2.745 20 0 BFADLO CC1=CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878548477 590590601 /nfs/dbraw/zinc/59/06/01/590590601.db2.gz LYPFBBFRNMFFRT-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CCC[N@@H+](Cc2scnc2Cl)C1 ZINC000878548477 590590603 /nfs/dbraw/zinc/59/06/03/590590603.db2.gz LYPFBBFRNMFFRT-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2Cc3ccncc3C2)OC1 ZINC000878608795 590595777 /nfs/dbraw/zinc/59/57/77/590595777.db2.gz DINPEVJOSZIOJM-AWEZNQCLSA-N 1 2 246.354 2.602 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2Cc3ccncc3C2)OC1 ZINC000878608795 590595778 /nfs/dbraw/zinc/59/57/78/590595778.db2.gz DINPEVJOSZIOJM-AWEZNQCLSA-N 1 2 246.354 2.602 20 0 BFADLO CC1(C)CCC[C@H](C[N@@H+]2Cc3ccncc3C2)O1 ZINC000878609140 590596015 /nfs/dbraw/zinc/59/60/15/590596015.db2.gz PIVXKKFPUXMLRS-CQSZACIVSA-N 1 2 246.354 2.745 20 0 BFADLO CC1(C)CCC[C@H](C[N@H+]2Cc3ccncc3C2)O1 ZINC000878609140 590596016 /nfs/dbraw/zinc/59/60/16/590596016.db2.gz PIVXKKFPUXMLRS-CQSZACIVSA-N 1 2 246.354 2.745 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCF ZINC000878767058 590619954 /nfs/dbraw/zinc/61/99/54/590619954.db2.gz QWYLFBUDRZPVAF-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCF ZINC000878767058 590619955 /nfs/dbraw/zinc/61/99/55/590619955.db2.gz QWYLFBUDRZPVAF-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000878776845 590620958 /nfs/dbraw/zinc/62/09/58/590620958.db2.gz RGZDZGWKTAEUBK-RISCZKNCSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000878776842 590621357 /nfs/dbraw/zinc/62/13/57/590621357.db2.gz RGZDZGWKTAEUBK-BXUZGUMPSA-N 1 2 249.358 2.585 20 0 BFADLO ClC1=CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000878790263 590622251 /nfs/dbraw/zinc/62/22/51/590622251.db2.gz IHEWYMIOBNCAFW-UHFFFAOYSA-N 1 2 238.718 2.880 20 0 BFADLO ClC1=CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000878790263 590622253 /nfs/dbraw/zinc/62/22/53/590622253.db2.gz IHEWYMIOBNCAFW-UHFFFAOYSA-N 1 2 238.718 2.880 20 0 BFADLO Cc1ccncc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878791205 590623429 /nfs/dbraw/zinc/62/34/29/590623429.db2.gz AUOREZAJRNWFAL-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ccncc1C[N@H+]1CCC=C(Cl)C1 ZINC000878791205 590623430 /nfs/dbraw/zinc/62/34/30/590623430.db2.gz AUOREZAJRNWFAL-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO CO[C@H]1C[C@@H](C[N@H+](C)c2ccccc2C)C1 ZINC000879021017 590679947 /nfs/dbraw/zinc/67/99/47/590679947.db2.gz OZAFUZDPLLAGTO-BETUJISGSA-N 1 2 219.328 2.856 20 0 BFADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2ccccc2C)C1 ZINC000879021017 590679949 /nfs/dbraw/zinc/67/99/49/590679949.db2.gz OZAFUZDPLLAGTO-BETUJISGSA-N 1 2 219.328 2.856 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000879057571 590688090 /nfs/dbraw/zinc/68/80/90/590688090.db2.gz PKKVXCXCENGTBY-SMDDNHRTSA-N 1 2 249.358 2.551 20 0 BFADLO CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1[nH]c[nH+]c1C ZINC000879057568 590689483 /nfs/dbraw/zinc/68/94/83/590689483.db2.gz PKKVXCXCENGTBY-BXUZGUMPSA-N 1 2 249.358 2.551 20 0 BFADLO FCC[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477145 590777666 /nfs/dbraw/zinc/77/76/66/590777666.db2.gz BGTHPKUIDBZFIM-ZDUSSCGKSA-N 1 2 225.282 2.917 20 0 BFADLO FCC[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477145 590777669 /nfs/dbraw/zinc/77/76/69/590777669.db2.gz BGTHPKUIDBZFIM-ZDUSSCGKSA-N 1 2 225.282 2.917 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477219 590778395 /nfs/dbraw/zinc/77/83/95/590778395.db2.gz FEDLLBKZWHZTRQ-CQSZACIVSA-N 1 2 235.302 2.536 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC000879477219 590778411 /nfs/dbraw/zinc/77/84/11/590778411.db2.gz FEDLLBKZWHZTRQ-CQSZACIVSA-N 1 2 235.302 2.536 20 0 BFADLO CCON(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000879525637 590789000 /nfs/dbraw/zinc/78/90/00/590789000.db2.gz BJBBYULWEKHUTM-UHFFFAOYSA-N 1 2 237.303 2.504 20 0 BFADLO Cl/C=C(/Cl)C[NH2+][C@@H]1CCCn2nccc21 ZINC000879788444 590869500 /nfs/dbraw/zinc/86/95/00/590869500.db2.gz HIGKOFZTJBMUSB-BNICOGTQSA-N 1 2 246.141 2.627 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000880085903 590921489 /nfs/dbraw/zinc/92/14/89/590921489.db2.gz GAQJMUZIVIGMNX-SUNKGSAMSA-N 1 2 249.358 2.803 20 0 BFADLO CCC(F)(F)C[N@H+](C)C1(COC)CCC1 ZINC000880184952 590949833 /nfs/dbraw/zinc/94/98/33/590949833.db2.gz YVEKLEUQLYSRSX-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C1(COC)CCC1 ZINC000880184952 590949836 /nfs/dbraw/zinc/94/98/36/590949836.db2.gz YVEKLEUQLYSRSX-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)c1noc([C@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880242776 590975837 /nfs/dbraw/zinc/97/58/37/590975837.db2.gz KNKBWAKFJUNXET-VIFPVBQESA-N 1 2 241.310 2.688 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000880377587 591015064 /nfs/dbraw/zinc/01/50/64/591015064.db2.gz ZTCSRDVXCUTAKV-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000880377587 591015068 /nfs/dbraw/zinc/01/50/68/591015068.db2.gz ZTCSRDVXCUTAKV-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO Cc1[nH+]cnc(NCc2cccs2)c1C ZINC000881746895 591268920 /nfs/dbraw/zinc/26/89/20/591268920.db2.gz DDQVRYVDZOPHEQ-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC1(CNc2cc3ccc(F)cc3c[nH+]2)COC1 ZINC000881981623 591285500 /nfs/dbraw/zinc/28/55/00/591285500.db2.gz IDTQWTGMCBCSEX-UHFFFAOYSA-N 1 2 246.285 2.822 20 0 BFADLO Cc1[nH+]cnc(NCCCC2CC2)c1C ZINC000881995317 591286159 /nfs/dbraw/zinc/28/61/59/591286159.db2.gz MOLNKVNTQRRETP-UHFFFAOYSA-N 1 2 205.305 2.696 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCOC3(CCC3)C2)c1C ZINC000882111335 591299886 /nfs/dbraw/zinc/29/98/86/591299886.db2.gz ZYAMYAPFLYFCIT-LBPRGKRZSA-N 1 2 247.342 2.607 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H](C)[C@H](C)C2)c1C ZINC000882146717 591305940 /nfs/dbraw/zinc/30/59/40/591305940.db2.gz AMYMZTRIVKJJLZ-VHSXEESVSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000882158363 591308269 /nfs/dbraw/zinc/30/82/69/591308269.db2.gz RSBFZDRQNZKBCL-CHWSQXEVSA-N 1 2 249.358 2.709 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC(C)(C)OC2(C)C)c1C ZINC000882165901 591309370 /nfs/dbraw/zinc/30/93/70/591309370.db2.gz FWLAJCCGZABBJV-LLVKDONJSA-N 1 2 249.358 2.851 20 0 BFADLO Cc1[nH+]cnc(NCc2cc(Cl)ccn2)c1C ZINC000882162994 591309725 /nfs/dbraw/zinc/30/97/25/591309725.db2.gz XROIVUJLXLGTNR-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CC(C)(C)c1cn(Cn2cc(Cl)cn2)c[nH+]1 ZINC000882280722 591326187 /nfs/dbraw/zinc/32/61/87/591326187.db2.gz ITOHAPBDLKVXCO-UHFFFAOYSA-N 1 2 238.722 2.536 20 0 BFADLO Cc1[nH+]cnc(NCCC2(F)CCC2)c1C ZINC000882369933 591338635 /nfs/dbraw/zinc/33/86/35/591338635.db2.gz MDQLLTODHCASAC-UHFFFAOYSA-N 1 2 223.295 2.788 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@@H](C3CC3)C2)c1C ZINC000882378690 591339497 /nfs/dbraw/zinc/33/94/97/591339497.db2.gz FFKAUTWQUISYGZ-CYBMUJFWSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1[nH+]cnc(N2CCC(F)(F)[C@H](C)C2)c1C ZINC000882381951 591339525 /nfs/dbraw/zinc/33/95/25/591339525.db2.gz KPZYEWHICYFVKO-MRVPVSSYSA-N 1 2 241.285 2.575 20 0 BFADLO CCc1nc(C)c(CNc2nc[nH+]c(C)c2C)o1 ZINC000882397171 591342199 /nfs/dbraw/zinc/34/21/99/591342199.db2.gz QGPLKPXAIZEIMI-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]2c2ccco2)c1C ZINC000882467653 591353418 /nfs/dbraw/zinc/35/34/18/591353418.db2.gz KWYTUNVONCGPLT-GHMZBOCLSA-N 1 2 229.283 2.654 20 0 BFADLO Cc1[nH+]cnc(NCC2=CCCC2)c1C ZINC000882630569 591403400 /nfs/dbraw/zinc/40/34/00/591403400.db2.gz SKEZQVWJOMFCSI-UHFFFAOYSA-N 1 2 203.289 2.616 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@H]1CC1(Cl)Cl ZINC000882645666 591406060 /nfs/dbraw/zinc/40/60/60/591406060.db2.gz HDESIWDLJHEZIS-ZETCQYMHSA-N 1 2 249.116 2.638 20 0 BFADLO CCC[C@@H](CNc1nc[nH+]c(C)c1C)OCC ZINC000882648837 591406697 /nfs/dbraw/zinc/40/66/97/591406697.db2.gz PJLFARTZXFBKPF-LBPRGKRZSA-N 1 2 237.347 2.711 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CCSC2)c1C ZINC000882673980 591409321 /nfs/dbraw/zinc/40/93/21/591409321.db2.gz BYSDVMKWYVWKMB-LLVKDONJSA-N 1 2 237.372 2.649 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CCCS2)c1C ZINC000882687622 591411836 /nfs/dbraw/zinc/41/18/36/591411836.db2.gz SJMXYCZKLISHFF-LLVKDONJSA-N 1 2 237.372 2.791 20 0 BFADLO Cc1cc(N2CCC[C@H](CF)C2)nc(C2CC2)[nH+]1 ZINC000882801065 591442266 /nfs/dbraw/zinc/44/22/66/591442266.db2.gz BYGAMUKYTMGHLS-LLVKDONJSA-N 1 2 249.333 2.848 20 0 BFADLO CC[C@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000213223383 591455660 /nfs/dbraw/zinc/45/56/60/591455660.db2.gz PQZSAPPANHBPQD-RYUDHWBXSA-N 1 2 234.343 2.761 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c(C)n2)c(Cl)n1 ZINC000882882081 591462139 /nfs/dbraw/zinc/46/21/39/591462139.db2.gz SGBRYZXGVLXPPW-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CC(C)c1c[nH]c(CNc2cccc[nH+]2)n1 ZINC000882906571 591473456 /nfs/dbraw/zinc/47/34/56/591473456.db2.gz MRRDHNWFOVCGQW-UHFFFAOYSA-N 1 2 216.288 2.540 20 0 BFADLO c1ccc(N2CCC3(CCCCO3)CC2)[nH+]c1 ZINC000882951104 591482947 /nfs/dbraw/zinc/48/29/47/591482947.db2.gz OQVTZIHGFMSKPG-UHFFFAOYSA-N 1 2 232.327 2.621 20 0 BFADLO C=C/C=C/CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000883030026 591517336 /nfs/dbraw/zinc/51/73/36/591517336.db2.gz RVWZJTKZIZMSJJ-SNAWJCMRSA-N 1 2 238.331 2.576 20 0 BFADLO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c[nH+]c1C ZINC000883341883 591619729 /nfs/dbraw/zinc/61/97/29/591619729.db2.gz CQMOGROZUQBRHU-YPMHNXCESA-N 1 2 234.343 2.925 20 0 BFADLO Cc1ncc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000883341164 591619769 /nfs/dbraw/zinc/61/97/69/591619769.db2.gz JPPGXMPNCNWKGG-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CC[C@H]1C[C@H](Nc2c[nH+]c(C)c(C)c2)CO1 ZINC000883341723 591620277 /nfs/dbraw/zinc/62/02/77/591620277.db2.gz YFIJVUMRFRKAAV-STQMWFEESA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)c[nH+]c1C ZINC000883342324 591621681 /nfs/dbraw/zinc/62/16/81/591621681.db2.gz SPWLYDSBTOBKMD-JQWIXIFHSA-N 1 2 220.316 2.678 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342159 591622047 /nfs/dbraw/zinc/62/20/47/591622047.db2.gz MNZARDNDGBVNCA-GHMZBOCLSA-N 1 2 208.305 2.534 20 0 BFADLO Cc1cc(N[C@@H](C)c2nccnc2C)c[nH+]c1C ZINC000883342637 591622060 /nfs/dbraw/zinc/62/20/60/591622060.db2.gz GNMBAVVRTPHPCT-LBPRGKRZSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cc(N[C@H]2CCCOCC2)c[nH+]c1C ZINC000883342149 591622275 /nfs/dbraw/zinc/62/22/75/591622275.db2.gz LYZUFKAVPFVDDB-LBPRGKRZSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1cc(N[C@H](C)c2cncnc2C)c[nH+]c1C ZINC000883343022 591623205 /nfs/dbraw/zinc/62/32/05/591623205.db2.gz WTJFCMGBQUUXAQ-GFCCVEGCSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cc(N[C@H](C)Cc2cnccn2)c[nH+]c1C ZINC000883343060 591623257 /nfs/dbraw/zinc/62/32/57/591623257.db2.gz YPELHHJKTBBFSZ-LLVKDONJSA-N 1 2 242.326 2.532 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cn[nH]c1 ZINC000883381528 591638069 /nfs/dbraw/zinc/63/80/69/591638069.db2.gz OREFTGXYQMQCQB-ZIAGYGMSSA-N 1 2 245.301 2.525 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(Cl)c1N)C(F)F ZINC000883407676 591651275 /nfs/dbraw/zinc/65/12/75/591651275.db2.gz BKVHBMLKUKGRPD-LURJTMIESA-N 1 2 234.677 2.665 20 0 BFADLO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ccon1 ZINC000883463408 591674226 /nfs/dbraw/zinc/67/42/26/591674226.db2.gz OXPWOWDMVAUSFY-ZDUSSCGKSA-N 1 2 243.310 2.710 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(OCCO)cc1 ZINC000134503354 591931704 /nfs/dbraw/zinc/93/17/04/591931704.db2.gz IMPNFYZIGWWADG-NSHDSACASA-N 1 2 223.316 2.514 20 0 BFADLO CCc1nc(N[C@@H]2CCC2(C)C)cc[nH+]1 ZINC000884508586 591961293 /nfs/dbraw/zinc/96/12/93/591961293.db2.gz IPPXKKIUDZVFQV-SECBINFHSA-N 1 2 205.305 2.640 20 0 BFADLO CCc1nc(N2CC3(CCC3)[C@@H]2C2CC2)cc[nH+]1 ZINC000884511878 591961984 /nfs/dbraw/zinc/96/19/84/591961984.db2.gz RZDIVMWAVOPTER-AWEZNQCLSA-N 1 2 243.354 2.808 20 0 BFADLO CCc1nc(NC[C@H](OC)[C@@H](C)CC)cc[nH+]1 ZINC000884518273 591964078 /nfs/dbraw/zinc/96/40/78/591964078.db2.gz KHOFNBJGHXLEAD-QWRGUYRKSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1nc(NC[C@@H]2CCOC(C)(C)C2)cc[nH+]1 ZINC000884526155 591966744 /nfs/dbraw/zinc/96/67/44/591966744.db2.gz MMIUZMCTYGTVRD-LLVKDONJSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(NCc2ccnc(Cl)c2)cc[nH+]1 ZINC000884531857 591969178 /nfs/dbraw/zinc/96/91/78/591969178.db2.gz WWXAGKLSAPBASC-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO CCc1nc(N2CC[C@H](C3CCC3)C2)cc[nH+]1 ZINC000884532212 591969750 /nfs/dbraw/zinc/96/97/50/591969750.db2.gz FENQQAZONBUMMZ-LBPRGKRZSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1nc(NCC[C@@]2(C)CC2(F)F)cc[nH+]1 ZINC000884557132 591978360 /nfs/dbraw/zinc/97/83/60/591978360.db2.gz HWZMEQJGGHYRRZ-NSHDSACASA-N 1 2 241.285 2.886 20 0 BFADLO CCSC1(CNc2cc[nH+]c(CC)n2)CC1 ZINC000884559605 591979100 /nfs/dbraw/zinc/97/91/00/591979100.db2.gz ZFEYUKXXVMUIJX-UHFFFAOYSA-N 1 2 237.372 2.737 20 0 BFADLO CCc1nc(N2CCC(F)(F)C[C@H]2C)cc[nH+]1 ZINC000884565670 591982440 /nfs/dbraw/zinc/98/24/40/591982440.db2.gz QFAQEMVHUGRQAK-SECBINFHSA-N 1 2 241.285 2.663 20 0 BFADLO C=C/C=C/CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000884566662 591983208 /nfs/dbraw/zinc/98/32/08/591983208.db2.gz QAOMSODZQGSELK-ITKZLYELSA-N 1 2 234.299 2.510 20 0 BFADLO CCc1nc(N[C@H](C)c2ccns2)cc[nH+]1 ZINC000884567077 591983395 /nfs/dbraw/zinc/98/33/95/591983395.db2.gz BBUZFAZBRNGSMK-MRVPVSSYSA-N 1 2 234.328 2.669 20 0 BFADLO C=C/C=C\CCNc1cc[nH+]c(CC)n1 ZINC000884580742 591985834 /nfs/dbraw/zinc/98/58/34/591985834.db2.gz KUSVKCPMAFOAMN-WAYWQWQTSA-N 1 2 203.289 2.583 20 0 BFADLO OC1(C2(CNc3cccc[nH+]3)CCC2)CCC1 ZINC000884811612 592018261 /nfs/dbraw/zinc/01/82/61/592018261.db2.gz WVIGGMGLLOGDPG-UHFFFAOYSA-N 1 2 232.327 2.579 20 0 BFADLO Cc1ccc([N@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000885979947 592120237 /nfs/dbraw/zinc/12/02/37/592120237.db2.gz PWGBDQCLQNFBFB-HIFRSBDPSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@]23CCOC3)cc1 ZINC000885979947 592120238 /nfs/dbraw/zinc/12/02/38/592120238.db2.gz PWGBDQCLQNFBFB-HIFRSBDPSA-N 1 2 231.339 2.858 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886093975 592147487 /nfs/dbraw/zinc/14/74/87/592147487.db2.gz LDPUIBNIJMWKMC-WOPDTQHZSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886093975 592147489 /nfs/dbraw/zinc/14/74/89/592147489.db2.gz LDPUIBNIJMWKMC-WOPDTQHZSA-N 1 2 245.313 2.674 20 0 BFADLO FC1=CCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886102596 592155776 /nfs/dbraw/zinc/15/57/76/592155776.db2.gz KOCKLERTQNMKNP-STQMWFEESA-N 1 2 225.307 2.503 20 0 BFADLO FC1=CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886102596 592155778 /nfs/dbraw/zinc/15/57/78/592155778.db2.gz KOCKLERTQNMKNP-STQMWFEESA-N 1 2 225.307 2.503 20 0 BFADLO Fc1cccc(/C=C\C[NH2+]CC(F)F)c1 ZINC000886114581 592156371 /nfs/dbraw/zinc/15/63/71/592156371.db2.gz SGVCOOHBWGEUQM-RQOWECAXSA-N 1 2 215.218 2.694 20 0 BFADLO COc1cc(C[NH2+][C@H](C)c2ncco2)ccc1C ZINC000886272083 592192737 /nfs/dbraw/zinc/19/27/37/592192737.db2.gz GNHVHRZAWVNSRB-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886276035 592195249 /nfs/dbraw/zinc/19/52/49/592195249.db2.gz UUZHNFZXAXITHZ-NSHDSACASA-N 1 2 216.284 2.834 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@H](C)c1ncco1 ZINC000886275480 592195258 /nfs/dbraw/zinc/19/52/58/592195258.db2.gz ANQBLPWULGCWOR-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000886318028 592207603 /nfs/dbraw/zinc/20/76/03/592207603.db2.gz HWQPZPMBTAMBSO-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000886318028 592207604 /nfs/dbraw/zinc/20/76/04/592207604.db2.gz HWQPZPMBTAMBSO-JTQLQIEISA-N 1 2 247.367 2.899 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1ncco1 ZINC000886532211 592249878 /nfs/dbraw/zinc/24/98/78/592249878.db2.gz GAZVZYLPSAXFTD-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO CC(C)[C@@H](Nc1cccc[nH+]1)c1cnn(C)c1 ZINC000886564216 592261992 /nfs/dbraw/zinc/26/19/92/592261992.db2.gz QFXZTGISCRWEHY-CYBMUJFWSA-N 1 2 230.315 2.624 20 0 BFADLO c1[nH]c(CN2CCCCc3ccccc32)c[nH+]1 ZINC000139535348 592404829 /nfs/dbraw/zinc/40/48/29/592404829.db2.gz BTJJTOYUAPZTED-UHFFFAOYSA-N 1 2 227.311 2.753 20 0 BFADLO c1[nH]cc(CN2CCCCc3ccccc32)[nH+]1 ZINC000139535348 592404831 /nfs/dbraw/zinc/40/48/31/592404831.db2.gz BTJJTOYUAPZTED-UHFFFAOYSA-N 1 2 227.311 2.753 20 0 BFADLO FC(F)C[N@H+](C[C@H]1CCCCO1)C1CCC1 ZINC000887097184 592439609 /nfs/dbraw/zinc/43/96/09/592439609.db2.gz JDIULXRDPRARLP-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](C[C@H]1CCCCO1)C1CCC1 ZINC000887097184 592439612 /nfs/dbraw/zinc/43/96/12/592439612.db2.gz JDIULXRDPRARLP-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102650 592443464 /nfs/dbraw/zinc/44/34/64/592443464.db2.gz ZAMPLGQQJNDQKX-MWLCHTKSSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102650 592443467 /nfs/dbraw/zinc/44/34/67/592443467.db2.gz ZAMPLGQQJNDQKX-MWLCHTKSSA-N 1 2 233.302 2.674 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(COC)cc1 ZINC000302357224 592546538 /nfs/dbraw/zinc/54/65/38/592546538.db2.gz XLGVXJSXNRJLBY-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO CCc1cc(C(=O)Nc2ccc(C)[nH+]c2C)no1 ZINC000889465136 592612927 /nfs/dbraw/zinc/61/29/27/592612927.db2.gz YZAYGSHGOLBOMY-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)O[C@@H](C)C3CC3)ccn12 ZINC000889770775 592654046 /nfs/dbraw/zinc/65/40/46/592654046.db2.gz DOVKNYDMAQCDQO-JTQLQIEISA-N 1 2 244.294 2.598 20 0 BFADLO CC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891571848 631394612 /nfs/dbraw/zinc/39/46/12/631394612.db2.gz GJOKCCDFRGOMIT-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO CC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891571848 631394617 /nfs/dbraw/zinc/39/46/17/631394617.db2.gz GJOKCCDFRGOMIT-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO Oc1cc(Cl)cc(C[NH+]2CCSCC2)c1 ZINC000891572166 631396666 /nfs/dbraw/zinc/39/66/66/631396666.db2.gz PWYKDRJMVRRUOQ-UHFFFAOYSA-N 1 2 243.759 2.594 20 0 BFADLO Clc1csc(C[NH2+]Cc2cocn2)c1 ZINC000308746890 631557508 /nfs/dbraw/zinc/55/75/08/631557508.db2.gz RQIANJYNUCVPHX-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO Cl/C=C\C[N@H+](Cc1ccoc1)C1CC1 ZINC000934003676 631581349 /nfs/dbraw/zinc/58/13/49/631581349.db2.gz DKQWWWXLPNKACC-KTAJNNJTSA-N 1 2 211.692 2.997 20 0 BFADLO Cl/C=C\C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934003676 631581354 /nfs/dbraw/zinc/58/13/54/631581354.db2.gz DKQWWWXLPNKACC-KTAJNNJTSA-N 1 2 211.692 2.997 20 0 BFADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@H]1CO ZINC000934013546 631596311 /nfs/dbraw/zinc/59/63/11/631596311.db2.gz IDGQYOUYXXSTQX-IUCAKERBSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@H]1CO ZINC000934013546 631596322 /nfs/dbraw/zinc/59/63/22/631596322.db2.gz IDGQYOUYXXSTQX-IUCAKERBSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000934025757 631601633 /nfs/dbraw/zinc/60/16/33/631601633.db2.gz IUMACGAYHIZNMZ-SECBINFHSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000934025757 631601642 /nfs/dbraw/zinc/60/16/42/631601642.db2.gz IUMACGAYHIZNMZ-SECBINFHSA-N 1 2 246.137 2.560 20 0 BFADLO CCC1CN(c2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000894145259 635716353 /nfs/dbraw/zinc/71/63/53/635716353.db2.gz KIHYYBFLPHSLDQ-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO CC(C)=CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047533617 635752450 /nfs/dbraw/zinc/75/24/50/635752450.db2.gz ADZPWNGWMKGBPB-UHFFFAOYSA-N 1 2 241.294 2.777 20 0 BFADLO CC[C@@H](O)C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926700469 632837985 /nfs/dbraw/zinc/83/79/85/632837985.db2.gz DIGQSQVYWABAHI-CMPLNLGQSA-N 1 2 243.297 2.527 20 0 BFADLO Cc1ncoc1C[NH2+][C@H]1COc2ccc(C)cc21 ZINC000894347962 635858558 /nfs/dbraw/zinc/85/85/58/635858558.db2.gz XJTZLNYWQMXRPA-LBPRGKRZSA-N 1 2 244.294 2.515 20 0 BFADLO CCC[C@H]1CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892894595 633238751 /nfs/dbraw/zinc/23/87/51/633238751.db2.gz DMLBWGXKWMVPAQ-LBPRGKRZSA-N 1 2 244.342 2.746 20 0 BFADLO CNc1cc(N2CC[C@]3(CC[C@H](C)C3)C2)nc[nH+]1 ZINC000893119986 633842969 /nfs/dbraw/zinc/84/29/69/633842969.db2.gz DTYRTONJVHCIFT-FZMZJTMJSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@]3(CC[C@H](C)C3)C2)[nH+]cn1 ZINC000893119986 633842973 /nfs/dbraw/zinc/84/29/73/633842973.db2.gz DTYRTONJVHCIFT-FZMZJTMJSA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@H](C)N(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000930625228 633952791 /nfs/dbraw/zinc/95/27/91/633952791.db2.gz JUTCJIMAIKWYHJ-LBPRGKRZSA-N 1 2 249.358 2.773 20 0 BFADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ncccc1F ZINC000925598002 634117837 /nfs/dbraw/zinc/11/78/37/634117837.db2.gz IWRJYGASMUWWNB-QMMMGPOBSA-N 1 2 249.289 2.676 20 0 BFADLO COc1cc(C)cc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000925599916 634121460 /nfs/dbraw/zinc/12/14/60/634121460.db2.gz BFZLVTZEGXAQAW-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1cccc(C)c1 ZINC000162704086 634297702 /nfs/dbraw/zinc/29/77/02/634297702.db2.gz JEYQPKFVKKRSKD-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1cccc(C)c1 ZINC000162704086 634297705 /nfs/dbraw/zinc/29/77/05/634297705.db2.gz JEYQPKFVKKRSKD-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO C=C[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000249392430 635118261 /nfs/dbraw/zinc/11/82/61/635118261.db2.gz RCXXKRKRYGCLLL-TZMCWYRMSA-N 1 2 247.338 2.797 20 0 BFADLO C=C[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000249392430 635118267 /nfs/dbraw/zinc/11/82/67/635118267.db2.gz RCXXKRKRYGCLLL-TZMCWYRMSA-N 1 2 247.338 2.797 20 0 BFADLO C[C@@H]1C[C@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000863470465 636714042 /nfs/dbraw/zinc/71/40/42/636714042.db2.gz BNHYVGJVGOJVTR-KOLCDFICSA-N 1 2 236.290 2.523 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000925292927 636741429 /nfs/dbraw/zinc/74/14/29/636741429.db2.gz JKNMBRADYVQDBU-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@H]1OCC[C@@H]1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376189 636812490 /nfs/dbraw/zinc/81/24/90/636812490.db2.gz CZACREXFIYWESU-GHMZBOCLSA-N 1 2 222.332 2.606 20 0 BFADLO CC(C)(C)Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923891186 637004773 /nfs/dbraw/zinc/00/47/73/637004773.db2.gz DMBLBTHSZVDQQP-RKDXNWHRSA-N 1 2 246.314 2.652 20 0 BFADLO CCC/C=C\c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904262566 637393087 /nfs/dbraw/zinc/39/30/87/637393087.db2.gz IPEDOYZBRGXTHC-WAYWQWQTSA-N 1 2 244.298 2.836 20 0 BFADLO C[C@H](O)c1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC000904850754 637508603 /nfs/dbraw/zinc/50/86/03/637508603.db2.gz YLBDQJBOBPXESS-NSHDSACASA-N 1 2 242.322 2.868 20 0 BFADLO Cc1cc(C)c(C(=O)NCc2ccco2)c(C)[nH+]1 ZINC000905008987 637543906 /nfs/dbraw/zinc/54/39/06/637543906.db2.gz LRWMGFJBIMGIMH-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO Cc1ccc(C[S@@](=O)C/C=C/Cl)c(C)[nH+]1 ZINC000905196523 637674200 /nfs/dbraw/zinc/67/42/00/637674200.db2.gz ULDFOTFVJKHJAM-VFQAQYNWSA-N 1 2 243.759 2.700 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H](C)C2CC2)c(C)[nH+]1 ZINC000905311260 637742121 /nfs/dbraw/zinc/74/21/21/637742121.db2.gz SEEQNQDNLMBKTQ-SNVBAGLBSA-N 1 2 232.327 2.535 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905383268 637784812 /nfs/dbraw/zinc/78/48/12/637784812.db2.gz HHSSXLUNKFGCOQ-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO c1ccc(NCc2nccc3c2CCCC3)[nH+]c1 ZINC000905406814 637798196 /nfs/dbraw/zinc/79/81/96/637798196.db2.gz PYAOCWWPFIWDLO-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO Cc1[nH]cc(-c2ccc(N=S(C)(C)=O)cc2)[nH+]1 ZINC000906201308 638102818 /nfs/dbraw/zinc/10/28/18/638102818.db2.gz WVMBLXZGKZYBCI-UHFFFAOYSA-N 1 2 249.339 2.744 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000907126825 638303077 /nfs/dbraw/zinc/30/30/77/638303077.db2.gz BKDJGMAINKVEON-NSHDSACASA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000907822132 638477450 /nfs/dbraw/zinc/47/74/50/638477450.db2.gz GYSFKZSCXXCJFX-IMRBUKKESA-N 1 2 244.338 2.535 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1coc(C(C)(C)C)n1 ZINC000930273155 639676753 /nfs/dbraw/zinc/67/67/53/639676753.db2.gz MUCOXSPKIXCAQU-UWVGGRQHSA-N 1 2 222.332 2.955 20 0 BFADLO Cc1[nH]c(CN2CCCc3occc3C2)c(C)[nH+]1 ZINC000930506724 639789741 /nfs/dbraw/zinc/78/97/41/639789741.db2.gz SYOURRHCUKAEDC-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000930511982 639790890 /nfs/dbraw/zinc/79/08/90/639790890.db2.gz AFKKGTILBXXLLU-NXEZZACHSA-N 1 2 241.285 2.515 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000930511982 639790898 /nfs/dbraw/zinc/79/08/98/639790898.db2.gz AFKKGTILBXXLLU-NXEZZACHSA-N 1 2 241.285 2.515 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000930511984 639792117 /nfs/dbraw/zinc/79/21/17/639792117.db2.gz AFKKGTILBXXLLU-VHSXEESVSA-N 1 2 241.285 2.515 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000930511984 639792129 /nfs/dbraw/zinc/79/21/29/639792129.db2.gz AFKKGTILBXXLLU-VHSXEESVSA-N 1 2 241.285 2.515 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](CCOC1CC1)C2 ZINC000930701832 639867752 /nfs/dbraw/zinc/86/77/52/639867752.db2.gz FWHDPWHGDRKLOA-UHFFFAOYSA-N 1 2 237.730 2.835 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](CCOC1CC1)C2 ZINC000930701832 639867756 /nfs/dbraw/zinc/86/77/56/639867756.db2.gz FWHDPWHGDRKLOA-UHFFFAOYSA-N 1 2 237.730 2.835 20 0 BFADLO C[N@H+](Cc1c(F)cncc1F)C1CC(C)(C)C1 ZINC000930702072 639868306 /nfs/dbraw/zinc/86/83/06/639868306.db2.gz ZGLYQLKJPBWUAH-UHFFFAOYSA-N 1 2 240.297 2.980 20 0 BFADLO C[N@@H+](Cc1c(F)cncc1F)C1CC(C)(C)C1 ZINC000930702072 639868308 /nfs/dbraw/zinc/86/83/08/639868308.db2.gz ZGLYQLKJPBWUAH-UHFFFAOYSA-N 1 2 240.297 2.980 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CC2CCCCC2)n[nH]1 ZINC000931133856 640072739 /nfs/dbraw/zinc/07/27/39/640072739.db2.gz JSCFZUXXJNMEOP-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CC2CCCCC2)n[nH]1 ZINC000931133856 640072746 /nfs/dbraw/zinc/07/27/46/640072746.db2.gz JSCFZUXXJNMEOP-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO CC1(C)C[C@@H](C[N@@H+]2CC[C@@H]2C(F)F)C(C)(C)O1 ZINC000931424502 640192736 /nfs/dbraw/zinc/19/27/36/640192736.db2.gz HQYXBVGVNQZIQF-VHSXEESVSA-N 1 2 247.329 2.920 20 0 BFADLO CC1(C)C[C@@H](C[N@H+]2CC[C@@H]2C(F)F)C(C)(C)O1 ZINC000931424502 640192740 /nfs/dbraw/zinc/19/27/40/640192740.db2.gz HQYXBVGVNQZIQF-VHSXEESVSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CCCCCO2)c1 ZINC000931533315 640261290 /nfs/dbraw/zinc/26/12/90/640261290.db2.gz NJEBMYDCXNHKBF-UHFFFAOYSA-N 1 2 220.316 2.616 20 0 BFADLO CCC(CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932037014 640414351 /nfs/dbraw/zinc/41/43/51/640414351.db2.gz AEXHWTAKJHCFIT-UHFFFAOYSA-N 1 2 245.326 2.729 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)CCO1 ZINC000932339508 640484169 /nfs/dbraw/zinc/48/41/69/640484169.db2.gz WADFSSDEHOUNKH-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)CCO1 ZINC000932339508 640484176 /nfs/dbraw/zinc/48/41/76/640484176.db2.gz WADFSSDEHOUNKH-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO CCC(C)(CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932736750 640605545 /nfs/dbraw/zinc/60/55/45/640605545.db2.gz IWESLXRJUXRKOI-UHFFFAOYSA-N 1 2 245.326 2.871 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccoc2)C2CC2)cn1 ZINC000934003856 640803526 /nfs/dbraw/zinc/80/35/26/640803526.db2.gz JJHHABSDFUZWJY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccoc2)C2CC2)cn1 ZINC000934003856 640803531 /nfs/dbraw/zinc/80/35/31/640803531.db2.gz JJHHABSDFUZWJY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCC[NH2+][C@@H](CCc1ccccc1)C(=O)OCC ZINC000061625438 640977132 /nfs/dbraw/zinc/97/71/32/640977132.db2.gz GFNXGDSGOFLUBP-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO CNc1cc(N[C@H](C)c2ccsc2)nc[nH+]1 ZINC000087828463 641058476 /nfs/dbraw/zinc/05/84/76/641058476.db2.gz MCUPETCDEJDSPT-MRVPVSSYSA-N 1 2 234.328 2.753 20 0 BFADLO CNc1cc(N[C@H](C)c2ccsc2)[nH+]cn1 ZINC000087828463 641058479 /nfs/dbraw/zinc/05/84/79/641058479.db2.gz MCUPETCDEJDSPT-MRVPVSSYSA-N 1 2 234.328 2.753 20 0 BFADLO CNc1cc(NCc2cscc2C)nc[nH+]1 ZINC000087838806 641065912 /nfs/dbraw/zinc/06/59/12/641065912.db2.gz ZDSZKGLBCYLRST-UHFFFAOYSA-N 1 2 234.328 2.500 20 0 BFADLO CNc1cc(NCc2cscc2C)[nH+]cn1 ZINC000087838806 641065917 /nfs/dbraw/zinc/06/59/17/641065917.db2.gz ZDSZKGLBCYLRST-UHFFFAOYSA-N 1 2 234.328 2.500 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC23CCC3)c(C)[nH+]1 ZINC000913812890 641486155 /nfs/dbraw/zinc/48/61/55/641486155.db2.gz YTEWWTSXKGBNEO-LBPRGKRZSA-N 1 2 244.338 2.679 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1COCC1(C)C ZINC000313122827 641534702 /nfs/dbraw/zinc/53/47/02/641534702.db2.gz LJMHMRKKQJZGPY-AWEZNQCLSA-N 1 2 248.370 2.898 20 0 BFADLO CC(C)=CC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189516343 641809937 /nfs/dbraw/zinc/80/99/37/641809937.db2.gz WROQLQACZAEUED-LBPRGKRZSA-N 1 2 248.374 2.744 20 0 BFADLO CC(C)=CC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189516343 641809945 /nfs/dbraw/zinc/80/99/45/641809945.db2.gz WROQLQACZAEUED-LBPRGKRZSA-N 1 2 248.374 2.744 20 0 BFADLO C=CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000077239548 641840679 /nfs/dbraw/zinc/84/06/79/641840679.db2.gz ZDIARJIACVNDCQ-UHFFFAOYSA-N 1 2 238.718 2.747 20 0 BFADLO C[C@H](c1nc([C@H]2CCC[C@@H](C)C2)no1)[NH+](C)C ZINC000923861110 641857947 /nfs/dbraw/zinc/85/79/47/641857947.db2.gz HNBXELZCGXDLOV-MXWKQRLJSA-N 1 2 237.347 2.986 20 0 BFADLO C[C@H](c1nc([C@H]2CCC[C@H](C)C2)no1)[NH+](C)C ZINC000923861096 641858518 /nfs/dbraw/zinc/85/85/18/641858518.db2.gz HNBXELZCGXDLOV-AXFHLTTASA-N 1 2 237.347 2.986 20 0 BFADLO CC[C@@H](Cn1c[nH+]c(Cc2ccccc2)c1)OC ZINC000919152299 642304302 /nfs/dbraw/zinc/30/43/02/642304302.db2.gz YXFOKSDHUCIDBE-HNNXBMFYSA-N 1 2 244.338 2.899 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)C[C@H](C)OC ZINC000308209193 642498053 /nfs/dbraw/zinc/49/80/53/642498053.db2.gz FJKVXHXIKVPJJL-HXOPTJOXSA-N 1 2 226.147 2.662 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)C[C@H](C)OC ZINC000308209193 642498058 /nfs/dbraw/zinc/49/80/58/642498058.db2.gz FJKVXHXIKVPJJL-HXOPTJOXSA-N 1 2 226.147 2.662 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)C[C@H](C)OC ZINC000308209194 642504510 /nfs/dbraw/zinc/50/45/10/642504510.db2.gz FJKVXHXIKVPJJL-MOIHINDBSA-N 1 2 226.147 2.662 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)C[C@H](C)OC ZINC000308209194 642504517 /nfs/dbraw/zinc/50/45/17/642504517.db2.gz FJKVXHXIKVPJJL-MOIHINDBSA-N 1 2 226.147 2.662 20 0 BFADLO C[C@@H]1CCC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000068313870 642759934 /nfs/dbraw/zinc/75/99/34/642759934.db2.gz PQIJMAOWFLYRPW-SECBINFHSA-N 1 2 247.264 2.591 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000068313870 642759943 /nfs/dbraw/zinc/75/99/43/642759943.db2.gz PQIJMAOWFLYRPW-SECBINFHSA-N 1 2 247.264 2.591 20 0 BFADLO CN(C)c1ccc(C=[NH+]Nc2ccccn2)cc1 ZINC000013152262 642837251 /nfs/dbraw/zinc/83/72/51/642837251.db2.gz AODUIAGAJDMVAK-UHFFFAOYSA-N 1 2 240.310 2.594 20 0 BFADLO CC[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181083690 642837662 /nfs/dbraw/zinc/83/76/62/642837662.db2.gz NSUDIJBGZSVWIM-LLVKDONJSA-N 1 2 244.294 2.828 20 0 BFADLO CC[N@H+](C)[C@@H](C(=O)OC1CCC1)c1ccccc1 ZINC000181168018 642845288 /nfs/dbraw/zinc/84/52/88/642845288.db2.gz KYRQHWCHOABILZ-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](C)[C@@H](C(=O)OC1CCC1)c1ccccc1 ZINC000181168018 642845293 /nfs/dbraw/zinc/84/52/93/642845293.db2.gz KYRQHWCHOABILZ-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181984644 642936581 /nfs/dbraw/zinc/93/65/81/642936581.db2.gz NCFKULROTCCTFR-YPMHNXCESA-N 1 2 235.327 2.631 20 0 BFADLO CC[C@H](C)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181985083 642937667 /nfs/dbraw/zinc/93/76/67/642937667.db2.gz LVPBKSLWXQUQTF-GXTWGEPZSA-N 1 2 249.354 2.879 20 0 BFADLO Cc1cc(C[NH+]2CCSCC2)cc(Cl)n1 ZINC000307569775 643516714 /nfs/dbraw/zinc/51/67/14/643516714.db2.gz WVSNHHMXNMOPRQ-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO C[C@H]1C(=O)CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000932843861 643521598 /nfs/dbraw/zinc/52/15/98/643521598.db2.gz ADLPACLINSVPKT-WDEREUQCSA-N 1 2 245.313 2.865 20 0 BFADLO C[C@H]1C(=O)CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000932843861 643521603 /nfs/dbraw/zinc/52/16/03/643521603.db2.gz ADLPACLINSVPKT-WDEREUQCSA-N 1 2 245.313 2.865 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CSc3ccccc32)on1 ZINC000156267708 643770548 /nfs/dbraw/zinc/77/05/48/643770548.db2.gz AZIFSKLXODDRAM-LBPRGKRZSA-N 1 2 246.335 2.920 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)C(F)F)c(C)c1 ZINC000922339642 643976863 /nfs/dbraw/zinc/97/68/63/643976863.db2.gz UWCYLVWIJMMFSV-SECBINFHSA-N 1 2 229.270 2.747 20 0 BFADLO Nc1[nH+]cccc1COC(=O)C1CCCCCC1 ZINC000922404917 643986992 /nfs/dbraw/zinc/98/69/92/643986992.db2.gz PVPOXUIUYCIFMS-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CCC[C@@H](C)CC(=O)OCc1ccc[nH+]c1N ZINC000922401301 643987702 /nfs/dbraw/zinc/98/77/02/643987702.db2.gz YPVNNUJAOJGTFI-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO CCC(C)(C)CC(=O)OCc1ccc[nH+]c1N ZINC000922502643 644005206 /nfs/dbraw/zinc/00/52/06/644005206.db2.gz XNABRVQIIQZKOD-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO Cc1occc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922577725 644030566 /nfs/dbraw/zinc/03/05/66/644030566.db2.gz UTTVOFMFFZJLBD-ZDUSSCGKSA-N 1 2 243.310 2.619 20 0 BFADLO CC1(C)CC[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922596748 644038988 /nfs/dbraw/zinc/03/89/88/644038988.db2.gz DRERABMUPBZGRB-LLVKDONJSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@@]1(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922770971 644093020 /nfs/dbraw/zinc/09/30/20/644093020.db2.gz UGESBGDYTKMWGI-IINYFYTJSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)(C(=O)OCc1ccc(N)[nH+]c1)C1CCC1 ZINC000922783282 644095135 /nfs/dbraw/zinc/09/51/35/644095135.db2.gz NQCYNNJBBFWDGF-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922810178 644099009 /nfs/dbraw/zinc/09/90/09/644099009.db2.gz IWGWOTIUGQQBAO-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922810181 644099474 /nfs/dbraw/zinc/09/94/74/644099474.db2.gz IWGWOTIUGQQBAO-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CC[C@H](C(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000922846123 644120003 /nfs/dbraw/zinc/12/00/03/644120003.db2.gz VDDHTCHCMVDMPN-UMSPYCQHSA-N 1 2 248.326 2.533 20 0 BFADLO S=c1scnn1C[NH+]1CCCCCCC1 ZINC000073879799 644141977 /nfs/dbraw/zinc/14/19/77/644141977.db2.gz FRJIOEOVWYAHSJ-UHFFFAOYSA-N 1 2 243.401 2.898 20 0 BFADLO CC(C)([NH2+]Cc1cocn1)c1ccc(F)cc1 ZINC000192306387 644144412 /nfs/dbraw/zinc/14/44/12/644144412.db2.gz JGQMSFLMRUKUAR-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccon1 ZINC000192359636 644146470 /nfs/dbraw/zinc/14/64/70/644146470.db2.gz YEOQCUHMNWKGGN-ZDUSSCGKSA-N 1 2 244.294 2.547 20 0 BFADLO Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccon1 ZINC000192359641 644146480 /nfs/dbraw/zinc/14/64/80/644146480.db2.gz YEOQCUHMNWKGGN-CYBMUJFWSA-N 1 2 244.294 2.547 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccnc2)no1 ZINC000074086839 644173269 /nfs/dbraw/zinc/17/32/69/644173269.db2.gz NLUVNPBQFNKJPF-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccnc2)no1 ZINC000074086839 644173271 /nfs/dbraw/zinc/17/32/71/644173271.db2.gz NLUVNPBQFNKJPF-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO c1cc(C[NH2+]Cc2nccc3ccccc32)no1 ZINC000747622078 644584505 /nfs/dbraw/zinc/58/45/05/644584505.db2.gz JEESJZZRWRFJQF-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO Cc1nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c(=S)s1 ZINC000246856589 644608203 /nfs/dbraw/zinc/60/82/03/644608203.db2.gz LVTOGEVGTOBNQP-HTQZYQBOSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c(=S)s1 ZINC000246856589 644608208 /nfs/dbraw/zinc/60/82/08/644608208.db2.gz LVTOGEVGTOBNQP-HTQZYQBOSA-N 1 2 243.401 2.670 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000780016389 644723692 /nfs/dbraw/zinc/72/36/92/644723692.db2.gz KETULLAHLQEGCW-FMIVXFBMSA-N 1 2 232.327 2.805 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2cc[nH]c21 ZINC000786450449 644774942 /nfs/dbraw/zinc/77/49/42/644774942.db2.gz MVJAAPGCXPPDJK-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2cc[nH]c21 ZINC000786450449 644774946 /nfs/dbraw/zinc/77/49/46/644774946.db2.gz MVJAAPGCXPPDJK-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO CC(C)=CCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000808266291 644875602 /nfs/dbraw/zinc/87/56/02/644875602.db2.gz DYANSJYZMUUZRJ-UHFFFAOYSA-N 1 2 236.290 2.833 20 0 BFADLO CCC/C=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817618643 644989356 /nfs/dbraw/zinc/98/93/56/644989356.db2.gz AKIVJUOPYXVBAM-SREVYHEPSA-N 1 2 232.327 2.671 20 0 BFADLO COCc1cc[nH+]c(NC2CC(SC)C2)c1 ZINC000926659184 645342409 /nfs/dbraw/zinc/34/24/09/645342409.db2.gz FQFHYELLSAKKAP-UHFFFAOYSA-N 1 2 238.356 2.534 20 0 BFADLO CC[C@@H]1COC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000926855319 645457914 /nfs/dbraw/zinc/45/79/14/645457914.db2.gz JOKGBHXTHJHTES-YPMHNXCESA-N 1 2 220.316 2.535 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)C1(Br)CC1 ZINC000926865513 645463536 /nfs/dbraw/zinc/46/35/36/645463536.db2.gz LNKLGYGZBMPYBF-NTSWFWBYSA-N 1 2 242.107 2.546 20 0 BFADLO c1ncc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)[nH]1 ZINC000880537446 645836879 /nfs/dbraw/zinc/83/68/79/645836879.db2.gz FFAGRTPPKGQUOG-NHYWBVRUSA-N 1 2 239.322 2.844 20 0 BFADLO c1ncc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)[nH]1 ZINC000880537446 645836881 /nfs/dbraw/zinc/83/68/81/645836881.db2.gz FFAGRTPPKGQUOG-NHYWBVRUSA-N 1 2 239.322 2.844 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CCc2ccccc2C1 ZINC000929127006 645958211 /nfs/dbraw/zinc/95/82/11/645958211.db2.gz YITNRMNJGTWZME-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CCc2ccccc2C1 ZINC000929127006 645958217 /nfs/dbraw/zinc/95/82/17/645958217.db2.gz YITNRMNJGTWZME-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO CC[NH+](CC)Cc1nc(C(C)C)ns1 ZINC000929203275 646002739 /nfs/dbraw/zinc/00/27/39/646002739.db2.gz BDQFTIHQRVNNMN-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ncccn2)cc1 ZINC000929207191 646003088 /nfs/dbraw/zinc/00/30/88/646003088.db2.gz INGCGGGTHKOJHV-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ncccn2)cc1 ZINC000929207191 646003091 /nfs/dbraw/zinc/00/30/91/646003091.db2.gz INGCGGGTHKOJHV-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO C[N@H+](Cc1c(F)cncc1F)CC(C)(C)C ZINC000929482031 646136903 /nfs/dbraw/zinc/13/69/03/646136903.db2.gz KDPPUVJYEPNPCP-UHFFFAOYSA-N 1 2 228.286 2.838 20 0 BFADLO C[N@@H+](Cc1c(F)cncc1F)CC(C)(C)C ZINC000929482031 646136910 /nfs/dbraw/zinc/13/69/10/646136910.db2.gz KDPPUVJYEPNPCP-UHFFFAOYSA-N 1 2 228.286 2.838 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ncco1 ZINC000924967788 646144314 /nfs/dbraw/zinc/14/43/14/646144314.db2.gz OFLLWDOHMGDANP-JOYOIKCWSA-N 1 2 244.294 2.718 20 0 BFADLO CC[C@@H](C)[C@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000929583578 646185765 /nfs/dbraw/zinc/18/57/65/646185765.db2.gz LFZBKOKMNCYLFF-BXUZGUMPSA-N 1 2 247.338 2.590 20 0 BFADLO CCOC(=O)/C=C\C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000929766173 646298493 /nfs/dbraw/zinc/29/84/93/646298493.db2.gz JIEYKUICTQPXBK-PWWFUAJNSA-N 1 2 245.322 2.683 20 0 BFADLO CCOC(=O)/C=C\C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000929766173 646298499 /nfs/dbraw/zinc/29/84/99/646298499.db2.gz JIEYKUICTQPXBK-PWWFUAJNSA-N 1 2 245.322 2.683 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccns1 ZINC000925599140 646351074 /nfs/dbraw/zinc/35/10/74/646351074.db2.gz QGBJPVHBAKDJCA-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CC(C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929998854 646390594 /nfs/dbraw/zinc/39/05/94/646390594.db2.gz KSLAJSNCYKWSFQ-UHFFFAOYSA-N 1 2 245.326 2.729 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCCc1cccnc1 ZINC000930128905 646451932 /nfs/dbraw/zinc/45/19/32/646451932.db2.gz IEGHDWLPXGKCKF-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCCc1cccnc1 ZINC000930128905 646451934 /nfs/dbraw/zinc/45/19/34/646451934.db2.gz IEGHDWLPXGKCKF-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO Cc1cccc([C@@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000930172309 646473583 /nfs/dbraw/zinc/47/35/83/646473583.db2.gz ATPCJTACEFOTRJ-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1cccc([C@@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000930172309 646473590 /nfs/dbraw/zinc/47/35/90/646473590.db2.gz ATPCJTACEFOTRJ-AWEZNQCLSA-N 1 2 235.302 2.588 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C(C)(C)CO ZINC000926025127 646562259 /nfs/dbraw/zinc/56/22/59/646562259.db2.gz DRWNIROVAYJLFG-LLVKDONJSA-N 1 2 236.359 2.572 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)C(C)(C)CO ZINC000926025127 646562261 /nfs/dbraw/zinc/56/22/61/646562261.db2.gz DRWNIROVAYJLFG-LLVKDONJSA-N 1 2 236.359 2.572 20 0 BFADLO C[C@H]([NH2+][C@@H]1CC12CCCC2)C(=O)OC(C)(C)C ZINC000387324796 711787807 /nfs/dbraw/zinc/78/78/07/711787807.db2.gz RKAOPZQTZBWALW-WDEREUQCSA-N 1 2 239.359 2.639 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000704808900 712117856 /nfs/dbraw/zinc/11/78/56/712117856.db2.gz AZVZFMJRKFFEQF-AXFHLTTASA-N 1 2 247.329 2.513 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000704808900 712117858 /nfs/dbraw/zinc/11/78/58/712117858.db2.gz AZVZFMJRKFFEQF-AXFHLTTASA-N 1 2 247.329 2.513 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(CCCO)CC1 ZINC000704817629 712118125 /nfs/dbraw/zinc/11/81/25/712118125.db2.gz YZLLNMQZMFENMO-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cn2ncsc2=S)C1 ZINC000758399848 712408625 /nfs/dbraw/zinc/40/86/25/712408625.db2.gz ZXCMMDBLRMTLRO-JTQLQIEISA-N 1 2 243.401 2.754 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cn2ncsc2=S)C1 ZINC000758399848 712408627 /nfs/dbraw/zinc/40/86/27/712408627.db2.gz ZXCMMDBLRMTLRO-JTQLQIEISA-N 1 2 243.401 2.754 20 0 BFADLO C=C/C=C\CCNc1[nH+]cccc1OC ZINC000713487792 712462127 /nfs/dbraw/zinc/46/21/27/712462127.db2.gz NUHBJKOWUPSZES-PLNGDYQASA-N 1 2 204.273 2.634 20 0 BFADLO CC[C@@H](C)CC(=O)NNc1cc[nH+]cc1Cl ZINC000190297025 712724917 /nfs/dbraw/zinc/72/49/17/712724917.db2.gz BLTRWXRMBCAWDG-MRVPVSSYSA-N 1 2 241.722 2.614 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c(C)o1 ZINC000386106476 711021896 /nfs/dbraw/zinc/02/18/96/711021896.db2.gz SLJJJHUGRZQGJK-ZWNOBZJWSA-N 1 2 245.326 2.889 20 0 BFADLO CC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000399723796 711433505 /nfs/dbraw/zinc/43/35/05/711433505.db2.gz GIOHDFBGMKRWQC-LBPRGKRZSA-N 1 2 233.340 2.779 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cnsn2)s1 ZINC000399675803 711433869 /nfs/dbraw/zinc/43/38/69/711433869.db2.gz NWGRMPBTYDQNRI-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC(C)=CC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000121121663 711484325 /nfs/dbraw/zinc/48/43/25/711484325.db2.gz APJBIDJQSLWLIV-UHFFFAOYSA-N 1 2 218.300 2.912 20 0 BFADLO CC[C@@H](Nc1cccc[nH+]1)[C@H]1CCCOC1 ZINC000723856456 711539551 /nfs/dbraw/zinc/53/95/51/711539551.db2.gz BKYHPJSXHKJUEG-NWDGAFQWSA-N 1 2 220.316 2.699 20 0 BFADLO CC1(C)CC2(CC(Nc3cccc[nH+]3)C2)CO1 ZINC000925719161 711715341 /nfs/dbraw/zinc/71/53/41/711715341.db2.gz PMMHRSUBTHJMPI-UHFFFAOYSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1nc(C[NH2+]Cc2cccc(C)n2)sc1C ZINC000094965852 711756220 /nfs/dbraw/zinc/75/62/20/711756220.db2.gz QWQORQHDNFXAJJ-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO C[C@@H]([NH2+]Cc1ccoc1)c1cn2c(n1)CCCC2 ZINC000924749921 711802582 /nfs/dbraw/zinc/80/25/82/711802582.db2.gz QZAFYOOSCFYYRZ-LLVKDONJSA-N 1 2 245.326 2.663 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160220849 711806251 /nfs/dbraw/zinc/80/62/51/711806251.db2.gz BHNSHYWAOYKMFZ-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO C[C@H]([NH2+]CCC1(F)CCC1)C(=O)OC(C)(C)C ZINC000702435210 712053245 /nfs/dbraw/zinc/05/32/45/712053245.db2.gz NHTMCPFSVMMZOE-JTQLQIEISA-N 1 2 245.338 2.589 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Br)o2)[C@H]1C ZINC000706788726 712155613 /nfs/dbraw/zinc/15/56/13/712155613.db2.gz KVIIJQYFYWXGMW-SFYZADRCSA-N 1 2 244.132 2.882 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Br)o2)[C@H]1C ZINC000706788726 712155614 /nfs/dbraw/zinc/15/56/14/712155614.db2.gz KVIIJQYFYWXGMW-SFYZADRCSA-N 1 2 244.132 2.882 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2nocc2C)c1 ZINC000708333798 712188008 /nfs/dbraw/zinc/18/80/08/712188008.db2.gz DJEVQRUKAQYSFB-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO CC1(C)CC[C@@H](CNc2cccc[nH+]2)OC1 ZINC000710835226 712258022 /nfs/dbraw/zinc/25/80/22/712258022.db2.gz VRKUXEACOVROKL-NSHDSACASA-N 1 2 220.316 2.699 20 0 BFADLO c1ccc(NC[C@H]2CCC3(CCC3)O2)[nH+]c1 ZINC000711435485 712300240 /nfs/dbraw/zinc/30/02/40/712300240.db2.gz BMTSJWWUSKSPGV-LLVKDONJSA-N 1 2 218.300 2.595 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CC[C@H](CF)C1 ZINC000711465352 712302578 /nfs/dbraw/zinc/30/25/78/712302578.db2.gz LURWJJAYHCBYOQ-SNVBAGLBSA-N 1 2 245.301 2.613 20 0 BFADLO C[C@H](COCc1ccccc1)Cn1cc[nH+]c1 ZINC000719160765 712799400 /nfs/dbraw/zinc/79/94/00/712799400.db2.gz TUYUMIFZVIPKBK-ZDUSSCGKSA-N 1 2 230.311 2.736 20 0 BFADLO Cc1nc(CNc2cccc[nH+]2)sc1C ZINC000719580757 712812253 /nfs/dbraw/zinc/81/22/53/712812253.db2.gz BASPURNKXPBHCV-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO COc1ccc[nH+]c1NCc1nc(C)c(C)s1 ZINC000719597897 712813233 /nfs/dbraw/zinc/81/32/33/712813233.db2.gz BSBWHXXOUJOTJP-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO COc1cc[nH+]cc1NC[C@@H]1CCC(F)(F)C1 ZINC001162648273 965089327 /nfs/dbraw/zinc/08/93/27/965089327.db2.gz NDUAMWSXAIOMHY-SECBINFHSA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(N(C)CC(F)(F)F)nc(C(C)C)[nH+]1 ZINC001163710574 965528079 /nfs/dbraw/zinc/52/80/79/965528079.db2.gz LLEINORYZNJTSN-UHFFFAOYSA-N 1 2 247.264 2.907 20 0 BFADLO Cc1coc(C[N@@H+]2CCCC[C@@](C)(F)C2)n1 ZINC001237634267 966676267 /nfs/dbraw/zinc/67/62/67/966676267.db2.gz DPCYVVQGNZPGHO-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1coc(C[N@H+]2CCCC[C@@](C)(F)C2)n1 ZINC001237634267 966676272 /nfs/dbraw/zinc/67/62/72/966676272.db2.gz DPCYVVQGNZPGHO-GFCCVEGCSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1cnc(Nc2cc(C)c[nH+]c2C)o1 ZINC001203654597 966719524 /nfs/dbraw/zinc/71/95/24/966719524.db2.gz LXXQQCXKECJHCP-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001204548145 967047145 /nfs/dbraw/zinc/04/71/45/967047145.db2.gz ZRFSGHPFJUSTBZ-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001204548145 967047156 /nfs/dbraw/zinc/04/71/56/967047156.db2.gz ZRFSGHPFJUSTBZ-MRVPVSSYSA-N 1 2 232.299 2.620 20 0 BFADLO CCn1cnc(Cl)c1C[N@H+](CC)C1CC1 ZINC001204880984 967210234 /nfs/dbraw/zinc/21/02/34/967210234.db2.gz JXPHQCSBLJMBOL-UHFFFAOYSA-N 1 2 227.739 2.541 20 0 BFADLO CCn1cnc(Cl)c1C[N@@H+](CC)C1CC1 ZINC001204880984 967210240 /nfs/dbraw/zinc/21/02/40/967210240.db2.gz JXPHQCSBLJMBOL-UHFFFAOYSA-N 1 2 227.739 2.541 20 0 BFADLO Cc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250315328 967676102 /nfs/dbraw/zinc/67/61/02/967676102.db2.gz JCCZDVGYZCRYIV-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)co1 ZINC001206040294 968000064 /nfs/dbraw/zinc/00/00/64/968000064.db2.gz ALJDULNVAWCZAE-JTQLQIEISA-N 1 2 248.248 2.552 20 0 BFADLO CC1=CC[C@H](CC[N@@H+]2CCC(=O)C2)C1(C)C ZINC001207280205 968711824 /nfs/dbraw/zinc/71/18/24/968711824.db2.gz PZOBGXZINXJDSE-GFCCVEGCSA-N 1 2 221.344 2.644 20 0 BFADLO CC1=CC[C@H](CC[N@H+]2CCC(=O)C2)C1(C)C ZINC001207280205 968711829 /nfs/dbraw/zinc/71/18/29/968711829.db2.gz PZOBGXZINXJDSE-GFCCVEGCSA-N 1 2 221.344 2.644 20 0 BFADLO C[C@@H](CCCC(C)(C)O)CC[NH+]1CC(F)C1 ZINC001207633868 968852861 /nfs/dbraw/zinc/85/28/61/968852861.db2.gz BDNRDSWWDJSTJW-NSHDSACASA-N 1 2 231.355 2.608 20 0 BFADLO F[C@@H]1C[N@H+](C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218407 969541129 /nfs/dbraw/zinc/54/11/29/969541129.db2.gz GGNCQOWRWWGWII-DTORHVGOSA-N 1 2 225.229 2.556 20 0 BFADLO F[C@@H]1C[N@@H+](C2CCC(F)(F)CC2)C[C@@H]1F ZINC001254218407 969541135 /nfs/dbraw/zinc/54/11/35/969541135.db2.gz GGNCQOWRWWGWII-DTORHVGOSA-N 1 2 225.229 2.556 20 0 BFADLO O=C1CCC[N@H+](C2CCC(F)(F)CC2)C[C@H]1F ZINC001254218523 969543445 /nfs/dbraw/zinc/54/34/45/969543445.db2.gz KHXKTRXNTRNMCN-SNVBAGLBSA-N 1 2 249.276 2.567 20 0 BFADLO O=C1CCC[N@@H+](C2CCC(F)(F)CC2)C[C@H]1F ZINC001254218523 969543453 /nfs/dbraw/zinc/54/34/53/969543453.db2.gz KHXKTRXNTRNMCN-SNVBAGLBSA-N 1 2 249.276 2.567 20 0 BFADLO CCSC[C@@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001173301562 975201753 /nfs/dbraw/zinc/20/17/53/975201753.db2.gz WOCQJQPYRFYONL-SECBINFHSA-N 1 2 217.353 2.562 20 0 BFADLO Cc1cccc(OC2C[NH+](C(C)(C)C)C2)c1F ZINC001228218784 975999237 /nfs/dbraw/zinc/99/92/37/975999237.db2.gz FLNIWBMBOQMQPC-UHFFFAOYSA-N 1 2 237.318 2.996 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(Cl)nc1 ZINC001176117086 977947232 /nfs/dbraw/zinc/94/72/32/977947232.db2.gz QLTPLTBZZHNWOG-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO CC[N@H+](Cc1cnsc1)Cc1ccccn1 ZINC001232230057 977965343 /nfs/dbraw/zinc/96/53/43/977965343.db2.gz CYNVQEVKUNVGNK-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cnsc1)Cc1ccccn1 ZINC001232230057 977965349 /nfs/dbraw/zinc/96/53/49/977965349.db2.gz CYNVQEVKUNVGNK-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CCCCOC1C[NH+](Cc2ccc(C)cc2)C1 ZINC001204171637 978017622 /nfs/dbraw/zinc/01/76/22/978017622.db2.gz NEDGTAKTNVDMGW-UHFFFAOYSA-N 1 2 233.355 2.996 20 0 BFADLO FC(F)(F)c1ccc(C[NH+]2CC=CC2)o1 ZINC001232443221 978075939 /nfs/dbraw/zinc/07/59/39/978075939.db2.gz ROHWRVOTIPOFIC-UHFFFAOYSA-N 1 2 217.190 2.670 20 0 BFADLO CC[C@@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232938104 978349870 /nfs/dbraw/zinc/34/98/70/978349870.db2.gz AFLDYJYNUWYHSE-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232938104 978349878 /nfs/dbraw/zinc/34/98/78/978349878.db2.gz AFLDYJYNUWYHSE-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO CC[C@H](C)[N@H+](C)Cc1cc(Cl)ncc1O ZINC001233035839 978395918 /nfs/dbraw/zinc/39/59/18/978395918.db2.gz JLTTZQQKTHLVLQ-QMMMGPOBSA-N 1 2 228.723 2.671 20 0 BFADLO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)ncc1O ZINC001233035839 978395929 /nfs/dbraw/zinc/39/59/29/978395929.db2.gz JLTTZQQKTHLVLQ-QMMMGPOBSA-N 1 2 228.723 2.671 20 0 BFADLO CC[N@@H+](Cc1cc(Cl)ncc1O)C(C)C ZINC001233033876 978421387 /nfs/dbraw/zinc/42/13/87/978421387.db2.gz VVQMEJBELAYUGF-UHFFFAOYSA-N 1 2 228.723 2.671 20 0 BFADLO COc1cc(F)c(C[N@@H+]2CC[C@H]2C)cc1F ZINC001233340851 978565626 /nfs/dbraw/zinc/56/56/26/978565626.db2.gz SMOZJGSQLXXFIJ-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(C[N@H+]2CC[C@H]2C)cc1F ZINC001233340851 978565634 /nfs/dbraw/zinc/56/56/34/978565634.db2.gz SMOZJGSQLXXFIJ-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1ccc(Nc2cnc(Cl)cn2)c(C)[nH+]1 ZINC001203367134 979099828 /nfs/dbraw/zinc/09/98/28/979099828.db2.gz HQSTVLHOZCUXRV-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO COc1c(Cl)ccc(F)c1C[NH+](C)C ZINC001238334617 980235977 /nfs/dbraw/zinc/23/59/77/980235977.db2.gz IGDXSHKCYTYRDK-UHFFFAOYSA-N 1 2 217.671 2.549 20 0 BFADLO Cc1nocc1Nc1cc(C)c[nH+]c1C ZINC001203656469 980488950 /nfs/dbraw/zinc/48/89/50/980488950.db2.gz VCNYENRRTLLNOE-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCOc1cc(Nc2cnoc2)cc(C)[nH+]1 ZINC001203233510 980657816 /nfs/dbraw/zinc/65/78/16/980657816.db2.gz DLFPZQHKZUTKFU-UHFFFAOYSA-N 1 2 219.244 2.520 20 0 BFADLO Cc1ccc(-c2cc(F)cc(F)c2)[nH+]c1N ZINC001239654105 980828037 /nfs/dbraw/zinc/82/80/37/980828037.db2.gz OMCRJEWHXYWDOR-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO CC(C)OCCc1c[nH+]c(N)cc1C(F)(F)F ZINC001250404943 980942810 /nfs/dbraw/zinc/94/28/10/980942810.db2.gz YYRCUTQHJILTRF-UHFFFAOYSA-N 1 2 248.248 2.650 20 0 BFADLO CC(C)CC[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201613303 983372941 /nfs/dbraw/zinc/37/29/41/983372941.db2.gz ASMWCDPLAOZEHG-SNVBAGLBSA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)CC[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201613303 983372954 /nfs/dbraw/zinc/37/29/54/983372954.db2.gz ASMWCDPLAOZEHG-SNVBAGLBSA-N 1 2 223.282 2.959 20 0 BFADLO CC[C@@H]1CCCC[C@H]1OCc1c[nH+]cn1C ZINC001222595009 972591956 /nfs/dbraw/zinc/59/19/56/972591956.db2.gz LPILHPUDJCBDLY-DGCLKSJQSA-N 1 2 222.332 2.906 20 0 BFADLO Cc1cc(O)cc(Nc2[nH+]cc(O)cc2C)c1 ZINC001215507529 970772962 /nfs/dbraw/zinc/77/29/62/970772962.db2.gz ULTRITGGGVAHJY-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO COc1cc[nH+]c(Nc2cncc(OC)c2C)c1 ZINC001215730777 970816638 /nfs/dbraw/zinc/81/66/38/970816638.db2.gz TYIXISOSLDKVPF-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO CC[C@@H](C)C[C@@H](C)Nc1[nH+]ccc(C)c1C(N)=O ZINC001157881775 970876712 /nfs/dbraw/zinc/87/67/12/970876712.db2.gz ONZRDEAVHFDYEF-MWLCHTKSSA-N 1 2 249.358 2.726 20 0 BFADLO C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3F)CCC1=O ZINC001256685962 970919898 /nfs/dbraw/zinc/91/98/98/970919898.db2.gz QFOSYDBIBAQYNP-YGRLFVJLSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3F)CCC1=O ZINC001256685962 970919904 /nfs/dbraw/zinc/91/99/04/970919904.db2.gz QFOSYDBIBAQYNP-YGRLFVJLSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[C@H]1c1nnc([C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256692036 970927275 /nfs/dbraw/zinc/92/72/75/970927275.db2.gz POPGYHMKETWFOZ-BBBLOLIVSA-N 1 2 235.331 2.738 20 0 BFADLO C[C@@H]1C[C@H]1c1nnc([C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256692036 970927283 /nfs/dbraw/zinc/92/72/83/970927283.db2.gz POPGYHMKETWFOZ-BBBLOLIVSA-N 1 2 235.331 2.738 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)c(F)c(O)c1 ZINC001216079515 970931333 /nfs/dbraw/zinc/93/13/33/970931333.db2.gz UXNXLKCRDFFHCC-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1cc(Nc2ccc(C)c[nH+]2)ccc1CO ZINC001216109471 970943913 /nfs/dbraw/zinc/94/39/13/970943913.db2.gz VLYRTZHEVFOOCI-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO Fc1cc2ncc(C3=C[NH2+]CCC3)nc2cc1F ZINC001243948316 971028700 /nfs/dbraw/zinc/02/87/00/971028700.db2.gz AHQCJZPXPDQIIG-UHFFFAOYSA-N 1 2 247.248 2.632 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc(O)c1C ZINC001216317401 971033459 /nfs/dbraw/zinc/03/34/59/971033459.db2.gz YEGPOZBDYDISAM-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO Nc1ccc[nH+]c1Nc1cc(Cl)cc(CO)c1 ZINC001216433923 971089441 /nfs/dbraw/zinc/08/94/41/971089441.db2.gz NTJAXZOYOQVJPL-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO CCOc1cc(Nc2[nH+]cc(C)cc2N)ccn1 ZINC001216622121 971142545 /nfs/dbraw/zinc/14/25/45/971142545.db2.gz HVCRDGQBWWXQRJ-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO C[C@@H]1C[C@H](Nc2cc(N)nc[nH+]2)c2ccccc21 ZINC001158475096 971285306 /nfs/dbraw/zinc/28/53/06/971285306.db2.gz XASBRYPYZMUNSG-SKDRFNHKSA-N 1 2 240.310 2.719 20 0 BFADLO CCCC[C@@H](CC)[NH2+]C1(C(=O)OCC)CC1 ZINC001257410924 971307086 /nfs/dbraw/zinc/30/70/86/971307086.db2.gz OAFXKWRMAVOKJB-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO CCCCCCO[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001217856454 971449614 /nfs/dbraw/zinc/44/96/14/971449614.db2.gz QAAHRNZEFAOFPF-JTQLQIEISA-N 1 2 221.291 2.581 20 0 BFADLO CC(C)[N@@H+]1CC[C@H]1c1nnc(C2CCCC2)o1 ZINC001257552732 971452480 /nfs/dbraw/zinc/45/24/80/971452480.db2.gz IQRHLDMQVUFCEF-NSHDSACASA-N 1 2 235.331 2.882 20 0 BFADLO CC(C)[N@H+]1CC[C@H]1c1nnc(C2CCCC2)o1 ZINC001257552732 971452490 /nfs/dbraw/zinc/45/24/90/971452490.db2.gz IQRHLDMQVUFCEF-NSHDSACASA-N 1 2 235.331 2.882 20 0 BFADLO C[C@@H]1CC[N@@H+]([C@@H]2CCCSC2)CC1(F)F ZINC001257670849 971472530 /nfs/dbraw/zinc/47/25/30/971472530.db2.gz JZECLVQMCKGLMH-NXEZZACHSA-N 1 2 235.343 2.859 20 0 BFADLO C[C@@H]1CC[N@H+]([C@@H]2CCCSC2)CC1(F)F ZINC001257670849 971472533 /nfs/dbraw/zinc/47/25/33/971472533.db2.gz JZECLVQMCKGLMH-NXEZZACHSA-N 1 2 235.343 2.859 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971965 971553797 /nfs/dbraw/zinc/55/37/97/971553797.db2.gz ANPGQFHSOSNDMT-LLVKDONJSA-N 1 2 237.368 2.805 20 0 BFADLO C[C@H](Oc1cccc(S)c1)C1CC[NH2+]CC1 ZINC001218003140 971566197 /nfs/dbraw/zinc/56/61/97/971566197.db2.gz YIXIBSWXUUBCMC-JTQLQIEISA-N 1 2 237.368 2.742 20 0 BFADLO C[C@H](Oc1ccc(S)cc1)C1CC[NH2+]CC1 ZINC001218000652 971566318 /nfs/dbraw/zinc/56/63/18/971566318.db2.gz BJTIVDRZVJAPBJ-JTQLQIEISA-N 1 2 237.368 2.742 20 0 BFADLO CNc1cc(-c2cccc3c2COC3)cc[nH+]1 ZINC001244975660 971577059 /nfs/dbraw/zinc/57/70/59/971577059.db2.gz JPUXHFALEVKNPC-UHFFFAOYSA-N 1 2 226.279 2.821 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(Cl)ccc1O ZINC001245050027 971607185 /nfs/dbraw/zinc/60/71/85/971607185.db2.gz BNCKGQMMRUUSLM-YALUOGEHSA-N 1 2 209.676 2.921 20 0 BFADLO C=Cc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218278951 971668669 /nfs/dbraw/zinc/66/86/69/971668669.db2.gz NKSQLDVDWGGBEP-LBPRGKRZSA-N 1 2 239.265 2.706 20 0 BFADLO Cc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1F ZINC001218273954 971668693 /nfs/dbraw/zinc/66/86/93/971668693.db2.gz URVVZDJARRNEDJ-SNVBAGLBSA-N 1 2 245.244 2.510 20 0 BFADLO Cc1cccc(C)c1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218273520 971669661 /nfs/dbraw/zinc/66/96/61/971669661.db2.gz SAWVCYYJSRBGBG-NSHDSACASA-N 1 2 241.281 2.679 20 0 BFADLO Cc1ccc(C)c(O[C@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218274910 971670004 /nfs/dbraw/zinc/67/00/04/971670004.db2.gz YUDCVGNKGFAQGX-LLVKDONJSA-N 1 2 241.281 2.679 20 0 BFADLO CCc1ccc(O[C@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218272692 971670368 /nfs/dbraw/zinc/67/03/68/971670368.db2.gz FNENANHBNBWYGD-GFCCVEGCSA-N 1 2 241.281 2.625 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@H](Oc2ccc[nH+]c2N)C1 ZINC001218292274 971688611 /nfs/dbraw/zinc/68/86/11/971688611.db2.gz USZJICZYMHDDPG-JFGNBEQYSA-N 1 2 220.316 2.867 20 0 BFADLO CCC[C@@H](Oc1cc(N)cc[nH+]1)C(C)C ZINC001218293631 971691573 /nfs/dbraw/zinc/69/15/73/971691573.db2.gz LDCXXYJYRAMJGD-LLVKDONJSA-N 1 2 208.305 2.867 20 0 BFADLO CC(C)CC[C@@H](C)Oc1cc(N)cc[nH+]1 ZINC001218294304 971693470 /nfs/dbraw/zinc/69/34/70/971693470.db2.gz KKZTUWABIWVUPQ-SNVBAGLBSA-N 1 2 208.305 2.867 20 0 BFADLO Nc1cc[nH+]c(O[C@@H]2CCc3ccccc3C2)c1 ZINC001218319298 971707312 /nfs/dbraw/zinc/70/73/12/971707312.db2.gz HVGTZUZNTFDPFA-CQSZACIVSA-N 1 2 240.306 2.600 20 0 BFADLO C[C@H]1CC[C@@H](Oc2ccc[nH+]c2N)CC1 ZINC001218356568 971727059 /nfs/dbraw/zinc/72/70/59/971727059.db2.gz QSLNDUVAXASIDD-AOOOYVTPSA-N 1 2 206.289 2.621 20 0 BFADLO CCC=CNc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001170766352 971761025 /nfs/dbraw/zinc/76/10/25/971761025.db2.gz HECNUZQKJRCHLF-VMPITWQZSA-N 1 2 243.314 2.615 20 0 BFADLO Cc1cc(-c2cc3[nH]cnc3c(F)c2)c[nH+]c1N ZINC001245540449 971852341 /nfs/dbraw/zinc/85/23/41/971852341.db2.gz RZBQZJDNCQWCJB-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@H]2C)[nH+]c2cc[nH]c21 ZINC001170833103 971946098 /nfs/dbraw/zinc/94/60/98/971946098.db2.gz VFDMXRRXTYBOTA-GHMZBOCLSA-N 1 2 245.326 2.708 20 0 BFADLO COc1ccc(C)[nH+]c1NCOc1ccccc1 ZINC001159702169 972075353 /nfs/dbraw/zinc/07/53/53/972075353.db2.gz HBEBOMBPTZPWQA-UHFFFAOYSA-N 1 2 244.294 2.847 20 0 BFADLO COC1(C)C[NH+](Cc2cc(C)c(F)c(C)c2)C1 ZINC001143374041 957042940 /nfs/dbraw/zinc/04/29/40/957042940.db2.gz JVQLJKPOCQCJQH-UHFFFAOYSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C)c(Nc2cnsc2)c[nH+]1 ZINC001213511098 957072421 /nfs/dbraw/zinc/07/24/21/957072421.db2.gz WESHNRMCGKIINF-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CN(C[C@H]1CC1(C)C)c1ccc(Cl)c(N)[nH+]1 ZINC001167090296 957257830 /nfs/dbraw/zinc/25/78/30/957257830.db2.gz NQOJZEWUZGGSGE-MRVPVSSYSA-N 1 2 239.750 2.800 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001209410575 957420664 /nfs/dbraw/zinc/42/06/64/957420664.db2.gz KZPQRZMCQJMIHK-OPRDCNLKSA-N 1 2 221.266 2.569 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001209410575 957420671 /nfs/dbraw/zinc/42/06/71/957420671.db2.gz KZPQRZMCQJMIHK-OPRDCNLKSA-N 1 2 221.266 2.569 20 0 BFADLO Cc1cccc2c(C[NH+]3CCC(=O)CC3)c[nH]c21 ZINC001209482339 957487158 /nfs/dbraw/zinc/48/71/58/957487158.db2.gz KQIWRWSWYKTJFS-UHFFFAOYSA-N 1 2 242.322 2.641 20 0 BFADLO CC(C)c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)[nH+]c1 ZINC001167218076 957552380 /nfs/dbraw/zinc/55/23/80/957552380.db2.gz WQWZXTUBSLPWFA-KGLIPLIRSA-N 1 2 246.354 2.820 20 0 BFADLO CC(C)c1ccc(N2C[C@H]3[C@H](CF)[C@H]3C2)[nH+]c1 ZINC001167221478 957554065 /nfs/dbraw/zinc/55/40/65/957554065.db2.gz GIGRNOYORYQUOB-XYYAHUGASA-N 1 2 234.318 2.857 20 0 BFADLO c1nc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c[nH]1 ZINC001136870265 972277548 /nfs/dbraw/zinc/27/75/48/972277548.db2.gz WCGMYCAJYDNULX-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO c1nc(C[N@H+]2CCCC[C@H]2c2cccnc2)c[nH]1 ZINC001136870265 972277552 /nfs/dbraw/zinc/27/75/52/972277552.db2.gz WCGMYCAJYDNULX-AWEZNQCLSA-N 1 2 242.326 2.532 20 0 BFADLO COc1cc(Nc2cc(F)ccn2)cc(C)[nH+]1 ZINC001210775551 957874066 /nfs/dbraw/zinc/87/40/66/957874066.db2.gz GOXGHNXWDPQASD-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO C/C=C(\C)n1c(C)[nH+]c2ccc(N)cc21 ZINC001210794109 957891710 /nfs/dbraw/zinc/89/17/10/957891710.db2.gz BWPHBROVWMEYLM-XBXARRHUSA-N 1 2 201.273 2.808 20 0 BFADLO Cc1ccc(Nc2ccc(CO)c(C)c2)[nH+]c1 ZINC001211013450 957989195 /nfs/dbraw/zinc/98/91/95/957989195.db2.gz YMZOURZPRGOHCC-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979510 972308949 /nfs/dbraw/zinc/30/89/49/972308949.db2.gz LFXHYTVMYVENFY-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979510 972308953 /nfs/dbraw/zinc/30/89/53/972308953.db2.gz LFXHYTVMYVENFY-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO COc1ccc(Nc2cccc(C)[nH+]2)c(C)n1 ZINC001211040160 958000906 /nfs/dbraw/zinc/00/09/06/958000906.db2.gz VMIKXEULHZCRCN-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Oc1cc(Nc2cccn3cc[nH+]c23)ccc1F ZINC001211215398 958069399 /nfs/dbraw/zinc/06/93/99/958069399.db2.gz JVIFRXKVBOWJKA-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO COc1cccc(Nc2ccc(C)[nH+]c2C)n1 ZINC001211296895 958142500 /nfs/dbraw/zinc/14/25/00/958142500.db2.gz XEYRDQCYSCBSQS-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCn1ccnc1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001207140481 958173396 /nfs/dbraw/zinc/17/33/96/958173396.db2.gz UNWMJWXYAWLPMO-ZDUSSCGKSA-N 1 2 239.338 2.617 20 0 BFADLO CCn1ccnc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001207140481 958173404 /nfs/dbraw/zinc/17/34/04/958173404.db2.gz UNWMJWXYAWLPMO-ZDUSSCGKSA-N 1 2 239.338 2.617 20 0 BFADLO Cc1c[nH+]cc(Nc2c3c(nn2C)CCC3)c1C ZINC001213522759 958197912 /nfs/dbraw/zinc/19/79/12/958197912.db2.gz GBUZDJZUIJTMDN-UHFFFAOYSA-N 1 2 242.326 2.664 20 0 BFADLO Cc1c[nH+]cc(Nc2cccc(CO)c2)c1C ZINC001213531187 958237224 /nfs/dbraw/zinc/23/72/24/958237224.db2.gz VQRZGWBXVPTOOG-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1cccc([C@H]([NH2+]Cc2nnc[nH]2)C(C)C)c1 ZINC001348248834 958306694 /nfs/dbraw/zinc/30/66/94/958306694.db2.gz ROZRPMJKCSQBHR-CQSZACIVSA-N 1 2 244.342 2.600 20 0 BFADLO CC[C@H]1CCCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222135172 972373395 /nfs/dbraw/zinc/37/33/95/972373395.db2.gz XAVGBINCCQPYSL-STQMWFEESA-N 1 2 222.332 2.869 20 0 BFADLO CC(C)CC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134914 972380000 /nfs/dbraw/zinc/38/00/00/972380000.db2.gz RVMCEKICOKGKPW-GFCCVEGCSA-N 1 2 210.321 2.724 20 0 BFADLO C[C@@H]1CCC[C@@H](OCCn2cc[nH+]c2)[C@H]1C ZINC001222138236 972384689 /nfs/dbraw/zinc/38/46/89/972384689.db2.gz BWZOYLXFEYFGOY-FRRDWIJNSA-N 1 2 222.332 2.724 20 0 BFADLO COc1cccc(F)c1CNc1cccc[nH+]1 ZINC001167604998 959040112 /nfs/dbraw/zinc/04/01/12/959040112.db2.gz AQBLCMTZQDJILL-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO c1c[nH+]c(-c2ccc(Nc3ccncn3)cc2)[nH]1 ZINC001213085635 959097906 /nfs/dbraw/zinc/09/79/06/959097906.db2.gz OYRBAVUOQBAQHH-UHFFFAOYSA-N 1 2 237.266 2.610 20 0 BFADLO Cn1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1 ZINC001213085812 959110963 /nfs/dbraw/zinc/11/09/63/959110963.db2.gz XYYQNSHXYBHEPE-UHFFFAOYSA-N 1 2 239.282 2.554 20 0 BFADLO Cc1nonc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086074 959158892 /nfs/dbraw/zinc/15/88/92/959158892.db2.gz GAULCHWCUNDZCF-UHFFFAOYSA-N 1 2 241.254 2.512 20 0 BFADLO c1c[nH+]c(-c2ccc(Nc3ccnnc3)cc2)[nH]1 ZINC001213086396 959173037 /nfs/dbraw/zinc/17/30/37/959173037.db2.gz PBUWVOXAZFVLCU-UHFFFAOYSA-N 1 2 237.266 2.610 20 0 BFADLO COc1ccc(F)c(C[N@H+](C)C2CC2)c1F ZINC001143969372 972439857 /nfs/dbraw/zinc/43/98/57/972439857.db2.gz APUBFCYAELGPHA-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(F)c(C[N@@H+](C)C2CC2)c1F ZINC001143969372 972439858 /nfs/dbraw/zinc/43/98/58/972439858.db2.gz APUBFCYAELGPHA-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1cccc(Cl)n1 ZINC000092366404 959786488 /nfs/dbraw/zinc/78/64/88/959786488.db2.gz KQZNCPNWOFDNMK-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1cccc(Cl)n1 ZINC000092366404 959786510 /nfs/dbraw/zinc/78/65/10/959786510.db2.gz KQZNCPNWOFDNMK-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc(S)c1 ZINC001217983365 959815822 /nfs/dbraw/zinc/81/58/22/959815822.db2.gz BHDCEICGKZJQHL-ZWNOBZJWSA-N 1 2 237.368 2.742 20 0 BFADLO COC1CCC([NH2+]c2ccc(O)cc2)CC1 ZINC000164243287 959979773 /nfs/dbraw/zinc/97/97/73/959979773.db2.gz OFWLXIFRFAQBEP-UHFFFAOYSA-N 1 2 221.300 2.762 20 0 BFADLO CCOc1ccc(F)c(F)c1C[N@@H+]1CC[C@H]1C ZINC001143487173 960132176 /nfs/dbraw/zinc/13/21/76/960132176.db2.gz JZAYDSFOTHVNPL-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(F)c1C[N@H+]1CC[C@H]1C ZINC001143487173 960132180 /nfs/dbraw/zinc/13/21/80/960132180.db2.gz JZAYDSFOTHVNPL-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO Oc1c(F)cc(C[N@@H+]2CCCC23CC3)cc1F ZINC001140987890 960154573 /nfs/dbraw/zinc/15/45/73/960154573.db2.gz FXHBHPZXRGKVPC-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1c(F)cc(C[N@H+]2CCCC23CC3)cc1F ZINC001140987890 960154578 /nfs/dbraw/zinc/15/45/78/960154578.db2.gz FXHBHPZXRGKVPC-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Cc1ccc2c(c1)CC[N@@H+](Cc1ncco1)C2 ZINC001141012625 960199627 /nfs/dbraw/zinc/19/96/27/960199627.db2.gz SIXYQTNPOWDTSO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)CC[N@H+](Cc1ncco1)C2 ZINC001141012625 960199631 /nfs/dbraw/zinc/19/96/31/960199631.db2.gz SIXYQTNPOWDTSO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c(C)c1 ZINC001140673932 960486991 /nfs/dbraw/zinc/48/69/91/960486991.db2.gz ZIOLYLQJWQUCNC-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)c(C)c1 ZINC001140673932 960487001 /nfs/dbraw/zinc/48/70/01/960487001.db2.gz ZIOLYLQJWQUCNC-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO Cc1cc(F)ccc1C[NH+]1CC(OC(C)C)C1 ZINC001140780850 960560918 /nfs/dbraw/zinc/56/09/18/960560918.db2.gz HXMGKRDVJRPJRA-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO COc1cc(F)c(C[N@@H+]2CC[C@@H]2C)c(F)c1 ZINC001140824538 960615937 /nfs/dbraw/zinc/61/59/37/960615937.db2.gz HLOUEYTZVXNVAG-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(C[N@H+]2CC[C@@H]2C)c(F)c1 ZINC001140824538 960615947 /nfs/dbraw/zinc/61/59/47/960615947.db2.gz HLOUEYTZVXNVAG-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO Nc1cccc(F)c1C[N@@H+]1CCc2occc2C1 ZINC001140877333 960662365 /nfs/dbraw/zinc/66/23/65/960662365.db2.gz KENNUCYPAWLHDL-UHFFFAOYSA-N 1 2 246.285 2.559 20 0 BFADLO Nc1cccc(F)c1C[N@H+]1CCc2occc2C1 ZINC001140877333 960662373 /nfs/dbraw/zinc/66/23/73/960662373.db2.gz KENNUCYPAWLHDL-UHFFFAOYSA-N 1 2 246.285 2.559 20 0 BFADLO Oc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(F)c1F ZINC001140892471 960671909 /nfs/dbraw/zinc/67/19/09/960671909.db2.gz ONVVENJRRWWYKE-SCZZXKLOSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(F)c1F ZINC001140892471 960671918 /nfs/dbraw/zinc/67/19/18/960671918.db2.gz ONVVENJRRWWYKE-SCZZXKLOSA-N 1 2 239.265 2.655 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2ccc(F)cc2)n[nH]1 ZINC001203076998 960689343 /nfs/dbraw/zinc/68/93/43/960689343.db2.gz NICBCDFWBUDUOT-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2ccc(F)cc2)n[nH]1 ZINC001203076998 960689352 /nfs/dbraw/zinc/68/93/52/960689352.db2.gz NICBCDFWBUDUOT-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO CC[N@H+](Cc1cnco1)Cc1ccccc1F ZINC001140932479 960699668 /nfs/dbraw/zinc/69/96/68/960699668.db2.gz PLFBLFZUMGMJMT-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1cnco1)Cc1ccccc1F ZINC001140932479 960699679 /nfs/dbraw/zinc/69/96/79/960699679.db2.gz PLFBLFZUMGMJMT-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO Cc1cc(N[C@@H](CO)CCF)[nH+]c2ccccc12 ZINC001327281981 972528241 /nfs/dbraw/zinc/52/82/41/972528241.db2.gz GNEISOAWPCPODB-LLVKDONJSA-N 1 2 248.301 2.676 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncco2)Cc2ccccc21 ZINC001141005060 960805463 /nfs/dbraw/zinc/80/54/63/960805463.db2.gz RUQIYPSBQMXNBP-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncco2)Cc2ccccc21 ZINC001141005060 960805464 /nfs/dbraw/zinc/80/54/64/960805464.db2.gz RUQIYPSBQMXNBP-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](Cc1cn[nH]c1)CC2 ZINC001203086398 960818815 /nfs/dbraw/zinc/81/88/15/960818815.db2.gz QYFVAKHUTPBSOL-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](Cc1cn[nH]c1)CC2 ZINC001203086398 960818816 /nfs/dbraw/zinc/81/88/16/960818816.db2.gz QYFVAKHUTPBSOL-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1ccsc1C[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000335746803 960821124 /nfs/dbraw/zinc/82/11/24/960821124.db2.gz SFQOVHLLLPYYQV-NSHDSACASA-N 1 2 247.367 2.947 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncnc2)c(F)c1 ZINC001141197875 960952559 /nfs/dbraw/zinc/95/25/59/960952559.db2.gz OXTDULHCRHORKQ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncnc2)c(F)c1 ZINC001141197875 960952619 /nfs/dbraw/zinc/95/26/19/960952619.db2.gz OXTDULHCRHORKQ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO COc1cc[nH+]c(Nc2cc(F)nc(F)c2)c1 ZINC001213077391 961689461 /nfs/dbraw/zinc/68/94/61/961689461.db2.gz VFECRXYXILCKOB-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO CCC[C@@H](CC(=O)OCC)Oc1cc[nH+]cc1 ZINC001225291203 962051788 /nfs/dbraw/zinc/05/17/88/962051788.db2.gz PBTRPKCRLYZJRL-LBPRGKRZSA-N 1 2 237.299 2.582 20 0 BFADLO Clc1nccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204951159 962164716 /nfs/dbraw/zinc/16/47/16/962164716.db2.gz OCHFPRSANYFQST-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1ccnc(F)c1Nc1ccn2cc[nH+]c2c1 ZINC001204959475 962473115 /nfs/dbraw/zinc/47/31/15/962473115.db2.gz OCYQXGJTBFNJHI-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Brc1ccsc1C[NH+]1CC=CC1 ZINC000133478967 962622669 /nfs/dbraw/zinc/62/26/69/962622669.db2.gz SBJWSQRYPFRQPW-UHFFFAOYSA-N 1 2 244.157 2.882 20 0 BFADLO Cc1ccc(O)c(Nc2ccc3c(c2)OCC3)[nH+]1 ZINC001206652784 962718515 /nfs/dbraw/zinc/71/85/15/962718515.db2.gz ORPHOMROYFGFIN-UHFFFAOYSA-N 1 2 242.278 2.774 20 0 BFADLO FC(F)(F)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001161625998 962766695 /nfs/dbraw/zinc/76/66/95/962766695.db2.gz TWICTBGGMSOFLX-UHFFFAOYSA-N 1 2 241.216 2.847 20 0 BFADLO c1ccc(-c2cc[nH+]c(NCC3COC3)c2)cc1 ZINC001154633805 962818835 /nfs/dbraw/zinc/81/88/35/962818835.db2.gz DIGXUCLPFGGHKB-UHFFFAOYSA-N 1 2 240.306 2.807 20 0 BFADLO COc1c[nH+]c(NCc2cnc(C)s2)c(C)c1 ZINC001154795271 962850597 /nfs/dbraw/zinc/85/05/97/962850597.db2.gz VFLIMIZOLNIBIA-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Cc1cc(NC2CC(F)C2)nc(C(C)C)[nH+]1 ZINC001154843981 962866688 /nfs/dbraw/zinc/86/66/88/962866688.db2.gz QWUIBHYKWSZCSI-UHFFFAOYSA-N 1 2 223.295 2.821 20 0 BFADLO COc1cccnc1NC(=[NH2+])C(C)(C)C ZINC001155176143 963002579 /nfs/dbraw/zinc/00/25/79/963002579.db2.gz RCJRDIMZRRKKLN-UHFFFAOYSA-N 1 2 207.277 2.525 20 0 BFADLO CC(C)(O)C=CNc1ccc(-n2cc[nH+]c2)cc1 ZINC001203217315 963150311 /nfs/dbraw/zinc/15/03/11/963150311.db2.gz MNRAUDAQFDAXCE-BQYQJAHWSA-N 1 2 243.310 2.569 20 0 BFADLO Cc1nonc1CNc1cc2ccccc2c[nH+]1 ZINC001156084453 963255264 /nfs/dbraw/zinc/25/52/64/963255264.db2.gz HYYHPNGIHAIEIM-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO Cc1nc(N2C[C@H](C)CC23CC3)c(C)c(C)[nH+]1 ZINC001156425356 963345192 /nfs/dbraw/zinc/34/51/92/963345192.db2.gz MPPCYTKPSKRGFV-SECBINFHSA-N 1 2 231.343 2.781 20 0 BFADLO Cc1cc(Cl)c(C)c(NCc2cncnc2)[nH+]1 ZINC001156572789 963390461 /nfs/dbraw/zinc/39/04/61/963390461.db2.gz WFSYTHOTZSUYCK-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CSCc1cc[nH+]c(NC(C)(C)CCO)c1 ZINC001156912412 963494697 /nfs/dbraw/zinc/49/46/97/963494697.db2.gz SBLXXVNHMOXFNR-UHFFFAOYSA-N 1 2 240.372 2.518 20 0 BFADLO CCC(=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1)CC ZINC001157120342 963536900 /nfs/dbraw/zinc/53/69/00/963536900.db2.gz VIRUAMLNCTWLNJ-UHFFFAOYSA-N 1 2 249.358 2.896 20 0 BFADLO CCC(=CC(=O)NCc1c[nH+]c(C(C)C)[nH]1)CC ZINC001157120342 963536905 /nfs/dbraw/zinc/53/69/05/963536905.db2.gz VIRUAMLNCTWLNJ-UHFFFAOYSA-N 1 2 249.358 2.896 20 0 BFADLO COC1CCC(Nc2[nH+]ccc(F)c2C)CC1 ZINC001157803425 963731172 /nfs/dbraw/zinc/73/11/72/963731172.db2.gz KHCJZYPXTKXQJT-UHFFFAOYSA-N 1 2 238.306 2.899 20 0 BFADLO Cc1[nH]c2ccc(OC3CCC(=O)CC3)cc2[nH+]1 ZINC001228326780 963756849 /nfs/dbraw/zinc/75/68/49/963756849.db2.gz LMJJLERLOLTJBC-UHFFFAOYSA-N 1 2 244.294 2.762 20 0 BFADLO Cc1c[nH+]cc(NCC2(F)CCOCC2)c1C ZINC001168125765 963797819 /nfs/dbraw/zinc/79/78/19/963797819.db2.gz FDNLMOJLYWTEKH-UHFFFAOYSA-N 1 2 238.306 2.629 20 0 BFADLO Cc1cc(NCC2(F)CCOCC2)c[nH+]c1C ZINC001168126026 963797836 /nfs/dbraw/zinc/79/78/36/963797836.db2.gz LMYUXEOLNVXZFK-UHFFFAOYSA-N 1 2 238.306 2.629 20 0 BFADLO CCOc1ccc[nH+]c1NCCc1cncs1 ZINC001158887665 963952126 /nfs/dbraw/zinc/95/21/26/963952126.db2.gz QEJVBXKTKMVUCV-UHFFFAOYSA-N 1 2 249.339 2.591 20 0 BFADLO F[C@H]1C[C@H](CNc2cc3cc[nH]c3c[nH+]2)C1 ZINC001168233612 964019673 /nfs/dbraw/zinc/01/96/73/964019673.db2.gz GIVAOBLFWARWQK-CZMCAQCFSA-N 1 2 219.263 2.723 20 0 BFADLO Cc1nc(NC[C@H]2C[C@H](F)C2)c2c([nH+]1)CCCC2 ZINC001168233271 964021248 /nfs/dbraw/zinc/02/12/48/964021248.db2.gz HWQVPIKXMVBFNV-XYPYZODXSA-N 1 2 249.333 2.824 20 0 BFADLO Cc1cc(F)cc(C)c1Nc1cc(N)nc[nH+]1 ZINC001159225062 964029098 /nfs/dbraw/zinc/02/90/98/964029098.db2.gz VWVGSCRZTLCNHV-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO CCOc1ccc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001159280800 964047996 /nfs/dbraw/zinc/04/79/96/964047996.db2.gz GMRYXSWZLQPRNK-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO CSc1cc[nH+]c(N[C@H]2CCOC[C@@H]2C)c1 ZINC001159716925 964166539 /nfs/dbraw/zinc/16/65/39/964166539.db2.gz SILITZDPILRKEH-ONGXEEELSA-N 1 2 238.356 2.640 20 0 BFADLO CCCNc1cc(NC2CC(F)(F)C2)nc[nH+]1 ZINC000697551034 964307267 /nfs/dbraw/zinc/30/72/67/964307267.db2.gz ULQGNFKWJJBMIQ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CCCNc1cc(NC2CC(F)(F)C2)[nH+]cn1 ZINC000697551034 964307284 /nfs/dbraw/zinc/30/72/84/964307284.db2.gz ULQGNFKWJJBMIQ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CCn1nccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213026422 964413943 /nfs/dbraw/zinc/41/39/43/964413943.db2.gz YYPVLJLRJPZZBG-UHFFFAOYSA-N 1 2 227.271 2.523 20 0 BFADLO CCC1(C[NH2+]c2ccc(N(C)C)c(C)c2)COC1 ZINC001168331188 964464422 /nfs/dbraw/zinc/46/44/22/964464422.db2.gz WYMBOPNKTBPSJJ-UHFFFAOYSA-N 1 2 248.370 2.900 20 0 BFADLO CCC1(CNc2ccc([NH+](C)C)c(C)c2)COC1 ZINC001168331188 964464429 /nfs/dbraw/zinc/46/44/29/964464429.db2.gz WYMBOPNKTBPSJJ-UHFFFAOYSA-N 1 2 248.370 2.900 20 0 BFADLO FC(F)(F)CNc1[nH+]cccc1-n1cccc1 ZINC001161625171 964647338 /nfs/dbraw/zinc/64/73/38/964647338.db2.gz BXSOKADIYQJFGC-UHFFFAOYSA-N 1 2 241.216 2.847 20 0 BFADLO COc1c[nH+]c(NCC(F)(F)F)c2[nH]ccc21 ZINC001161625137 964648074 /nfs/dbraw/zinc/64/80/74/964648074.db2.gz AWSXEBLEGDIPIG-UHFFFAOYSA-N 1 2 245.204 2.546 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1cscn1 ZINC000697892696 964650629 /nfs/dbraw/zinc/65/06/29/964650629.db2.gz OYUJXAGELBLBCN-KOLCDFICSA-N 1 2 245.351 2.876 20 0 BFADLO Cc1cc2cc(NCC(C)C)[nH+]cc2[nH]1 ZINC001161644551 964659703 /nfs/dbraw/zinc/65/97/03/964659703.db2.gz AVZUIGCDUWMEGY-UHFFFAOYSA-N 1 2 203.289 2.939 20 0 BFADLO c1cn(CCCNc2ccc(C3CC3)nc2)c[nH+]1 ZINC001161688450 964687954 /nfs/dbraw/zinc/68/79/54/964687954.db2.gz SCFDXSCEANOFTA-UHFFFAOYSA-N 1 2 242.326 2.658 20 0 BFADLO Cc1ccc(CNc2ccc3c([nH+]2)CCOC3)o1 ZINC001161765549 964742435 /nfs/dbraw/zinc/74/24/35/964742435.db2.gz SSEZQZIGPAHRCR-UHFFFAOYSA-N 1 2 244.294 2.668 20 0 BFADLO FC(F)(F)CCNc1c[nH+]c2c(c1)CCC2 ZINC001161824437 964774643 /nfs/dbraw/zinc/77/46/43/964774643.db2.gz QXGPKBLQOKTTHT-UHFFFAOYSA-N 1 2 230.233 2.935 20 0 BFADLO CCc1cc(NCC(C)C)nc(CC)[nH+]1 ZINC001161970610 964837739 /nfs/dbraw/zinc/83/77/39/964837739.db2.gz KMSXWTRFINOCQN-UHFFFAOYSA-N 1 2 207.321 2.669 20 0 BFADLO CC(C)Oc1cc(NC2CC(F)C2)cc[nH+]1 ZINC001162212251 964874584 /nfs/dbraw/zinc/87/45/84/964874584.db2.gz FKAGKWANCHFQMR-UHFFFAOYSA-N 1 2 224.279 2.781 20 0 BFADLO Cc1oncc1CNc1c[nH+]cc(C)c1C ZINC001162272129 964900073 /nfs/dbraw/zinc/90/00/73/964900073.db2.gz DLKMVQPRKSODEZ-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cccc2ncc(CNc3cccc[nH+]3)n21 ZINC001162344625 964940526 /nfs/dbraw/zinc/94/05/26/964940526.db2.gz OZEYZCMIPKOUNG-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO Cc1cc(N[C@H]2CC[C@](C)(O)CC2)c[nH+]c1C ZINC001162359837 964941868 /nfs/dbraw/zinc/94/18/68/964941868.db2.gz NDDCPNNSZXBQQV-MQMHXKEQSA-N 1 2 234.343 2.804 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CC[C@](C)(O)CC2)c1C ZINC001162360986 964943438 /nfs/dbraw/zinc/94/34/38/964943438.db2.gz QEZDQEBHFVAJPB-MQMHXKEQSA-N 1 2 234.343 2.804 20 0 BFADLO OC[C@@H]1CCC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC001162602702 965076528 /nfs/dbraw/zinc/07/65/28/965076528.db2.gz IBLDBGYAZYXCQJ-KBPBESRZSA-N 1 2 242.322 2.808 20 0 BFADLO Cn1cccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001162704481 965130105 /nfs/dbraw/zinc/13/01/05/965130105.db2.gz BDJQRDOWKMOFGI-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO Cc1cc2cc(NCc3cccn3C)[nH+]cc2[nH]1 ZINC001162706357 965131196 /nfs/dbraw/zinc/13/11/96/965131196.db2.gz OTDFKVVBGNQYNX-UHFFFAOYSA-N 1 2 240.310 2.822 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@@H]1C=CCC1 ZINC000698252080 965141205 /nfs/dbraw/zinc/14/12/05/965141205.db2.gz XOYKVWZWQGFMBC-SNVBAGLBSA-N 1 2 213.284 2.704 20 0 BFADLO CCc1cc(NC[C@]2(C)CCCO2)nc(CC)[nH+]1 ZINC001162743163 965156047 /nfs/dbraw/zinc/15/60/47/965156047.db2.gz QCDDJVNLBDQBFP-AWEZNQCLSA-N 1 2 249.358 2.582 20 0 BFADLO CC[C@H](CO)Nc1cc(-c2ccccc2)cc[nH+]1 ZINC001163043271 965238734 /nfs/dbraw/zinc/23/87/34/965238734.db2.gz RKNMSQXOXKYJFZ-CQSZACIVSA-N 1 2 242.322 2.931 20 0 BFADLO Cc1cc(Nc2cccn3cc[nH+]c23)cnc1F ZINC001212176011 965248424 /nfs/dbraw/zinc/24/84/24/965248424.db2.gz PVJBBBWNDDYHIW-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ncc[nH]1 ZINC000139020965 965397450 /nfs/dbraw/zinc/39/74/50/965397450.db2.gz RXNWPPLTTBIYGG-CMPLNLGQSA-N 1 2 242.326 2.533 20 0 BFADLO CCCN(CC)c1nc(N2CCCC2)c(C)c[nH+]1 ZINC001163600944 965476711 /nfs/dbraw/zinc/47/67/11/965476711.db2.gz UIVAKJBNXQOQGW-UHFFFAOYSA-N 1 2 248.374 2.622 20 0 BFADLO COc1cc2cc[nH+]c(N3CC=CC3)c2cc1F ZINC001163921899 965631541 /nfs/dbraw/zinc/63/15/41/965631541.db2.gz OQJKKPFDSGXDKI-UHFFFAOYSA-N 1 2 244.269 2.759 20 0 BFADLO Cc1[nH+]ccn1CCNc1cccc(C(C)C)[nH+]1 ZINC001163920250 965634389 /nfs/dbraw/zinc/63/43/89/965634389.db2.gz SYWSPOSMVDLUSF-UHFFFAOYSA-N 1 2 244.342 2.822 20 0 BFADLO Cc1nc(N2CC(F)(C3CC3)C2)cc(C(C)C)[nH+]1 ZINC001163967866 965665735 /nfs/dbraw/zinc/66/57/35/965665735.db2.gz IAOHALXVOIHBAV-UHFFFAOYSA-N 1 2 249.333 2.847 20 0 BFADLO COc1c[nH+]c(NC2(C)CCC2)c2[nH]ccc21 ZINC001164025451 965697071 /nfs/dbraw/zinc/69/70/71/965697071.db2.gz RNBROSILEPHHBL-UHFFFAOYSA-N 1 2 231.299 2.926 20 0 BFADLO CC1(Nc2ccn3cc[nH+]c3c2)CCC1 ZINC001164032204 965707305 /nfs/dbraw/zinc/70/73/05/965707305.db2.gz HKRFRFSNHRQHEJ-UHFFFAOYSA-N 1 2 201.273 2.689 20 0 BFADLO Cc1c[nH+]cc(NC[C@H]2CC(C)(C)O2)c1C ZINC001168457234 965762651 /nfs/dbraw/zinc/76/26/51/965762651.db2.gz VYRKPFUOTXLHBA-LLVKDONJSA-N 1 2 220.316 2.678 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)o1 ZINC001204392250 965946381 /nfs/dbraw/zinc/94/63/81/965946381.db2.gz CJGSKFSDXDKGLI-UHFFFAOYSA-N 1 2 235.327 2.643 20 0 BFADLO CCc1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)o1 ZINC001204392250 965946394 /nfs/dbraw/zinc/94/63/94/965946394.db2.gz CJGSKFSDXDKGLI-UHFFFAOYSA-N 1 2 235.327 2.643 20 0 BFADLO CNc1ccc(Nc2cccc(O)c2)c[nH+]1 ZINC001203454382 966182622 /nfs/dbraw/zinc/18/26/22/966182622.db2.gz CHGVWYUJMYURJU-UHFFFAOYSA-N 1 2 215.256 2.573 20 0 BFADLO CNc1ccc(Nc2cccc([C@@H](C)O)c2)c[nH+]1 ZINC001203454419 966221695 /nfs/dbraw/zinc/22/16/95/966221695.db2.gz DLZNFLLZBHAWRN-SNVBAGLBSA-N 1 2 243.310 2.920 20 0 BFADLO COCC(C)(C)Nc1ccc(-n2cccc2)c[nH+]1 ZINC001165983531 966228268 /nfs/dbraw/zinc/22/82/68/966228268.db2.gz GDVLXCLJBZHCGC-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CN(c1ccc(Cl)c(N)[nH+]1)C(C)(C)C ZINC001166528710 966286051 /nfs/dbraw/zinc/28/60/51/966286051.db2.gz VWFPUXUVKNZECC-UHFFFAOYSA-N 1 2 213.712 2.552 20 0 BFADLO Cc1nc(N(CC2CC2)C(C)C)c2c([nH+]1)CCC2 ZINC001166619967 966338318 /nfs/dbraw/zinc/33/83/18/966338318.db2.gz UWWJCKGTOVKDQW-UHFFFAOYSA-N 1 2 245.370 2.899 20 0 BFADLO CC(C)c1ccc(N2CCC[C@H](CCO)C2)[nH+]c1 ZINC001166847405 966429995 /nfs/dbraw/zinc/42/99/95/966429995.db2.gz HMXCOJRTRLKGAI-CYBMUJFWSA-N 1 2 248.370 2.804 20 0 BFADLO CCN(c1[nH+]ccc2c(C)cccc21)C1COC1 ZINC001166941989 966461940 /nfs/dbraw/zinc/46/19/40/966461940.db2.gz FZIGAFOQACGKHS-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO CO[C@@H]1CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001166953754 966479980 /nfs/dbraw/zinc/47/99/80/966479980.db2.gz ZMNALJGSKSVBJT-GFCCVEGCSA-N 1 2 232.327 2.574 20 0 BFADLO C[C@@H]1C[C@H](O)CCN1c1cc2ccccc2c[nH+]1 ZINC001166962395 966490283 /nfs/dbraw/zinc/49/02/83/966490283.db2.gz KPJMKFYTKRQTBH-BXUZGUMPSA-N 1 2 242.322 2.584 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)c(N)c1 ZINC001212330981 966491293 /nfs/dbraw/zinc/49/12/93/966491293.db2.gz ZPMAZIPAEROQQK-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(F)c(N)c1 ZINC001212332651 966494076 /nfs/dbraw/zinc/49/40/76/966494076.db2.gz YKHOVJXFGRNTDG-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Cc1ccc(Nc2nonc2C2CC2)c(C)[nH+]1 ZINC001203369631 966610330 /nfs/dbraw/zinc/61/03/30/966610330.db2.gz RFKLGOUWNARXLK-UHFFFAOYSA-N 1 2 230.271 2.702 20 0 BFADLO Cc1nccc(Nc2ccc(C)[nH+]c2C)n1 ZINC001203362720 966612462 /nfs/dbraw/zinc/61/24/62/966612462.db2.gz FXDODKUURHOSHB-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1ccc(Nc2c(F)cncc2F)c(C)[nH+]1 ZINC001203363189 966612896 /nfs/dbraw/zinc/61/28/96/966612896.db2.gz NHGBOAICKPSJRJ-UHFFFAOYSA-N 1 2 235.237 2.537 20 0 BFADLO CCn1ncc(Nc2ccc(C)[nH+]c2C)c1C ZINC001203366844 966619299 /nfs/dbraw/zinc/61/92/99/966619299.db2.gz FWCKYQHXXATCAA-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO Cc1cc(Nc2ccc(C)[nH+]c2C)n(CCF)n1 ZINC001203369314 966619358 /nfs/dbraw/zinc/61/93/58/966619358.db2.gz OXJDYTJILWVYKK-UHFFFAOYSA-N 1 2 248.305 2.916 20 0 BFADLO CNc1ccc(Nc2ccc(Cl)cn2)c[nH+]1 ZINC001203446956 966647230 /nfs/dbraw/zinc/64/72/30/966647230.db2.gz HXOQHNYOGHANKR-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2cccnc2C)c[nH+]1 ZINC001203447683 966649760 /nfs/dbraw/zinc/64/97/60/966649760.db2.gz NMVXFDDODLCZIY-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001203452921 966656476 /nfs/dbraw/zinc/65/64/76/966656476.db2.gz SUKFSNDRMHJTCA-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2ccc(O)c(F)c2)c[nH+]1 ZINC001203456496 966656823 /nfs/dbraw/zinc/65/68/23/966656823.db2.gz GMLKAYQAJHLKST-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CNc1ccc(Nc2ccc(O)cc2C)c[nH+]1 ZINC001203456832 966658822 /nfs/dbraw/zinc/65/88/22/966658822.db2.gz ZTBFKMNZGZVDJV-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO Cc1cc(C)c(Nc2ccc(N)nc2F)c[nH+]1 ZINC001203611886 966706663 /nfs/dbraw/zinc/70/66/63/966706663.db2.gz XYTCSYDTLBMISS-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncc(N(C)C)c2)c1 ZINC001203657155 966722618 /nfs/dbraw/zinc/72/26/18/966722618.db2.gz JWSQYRNSUGHXJM-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnsc2)c1 ZINC001203657447 966723453 /nfs/dbraw/zinc/72/34/53/966723453.db2.gz MSLMMURNSNJDMQ-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(C)nc2)c1 ZINC001203656405 966724001 /nfs/dbraw/zinc/72/40/01/966724001.db2.gz QSTBPBUVMVIKJR-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO C[C@@H]1C[NH+](Cc2cncc(C3CC3)c2)C[C@@H](C)O1 ZINC001238188315 966733388 /nfs/dbraw/zinc/73/33/88/966733388.db2.gz USZZHBWBDNLLOY-VXGBXAGGSA-N 1 2 246.354 2.568 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3nccc3C2)c(C)c1 ZINC001203744832 966766486 /nfs/dbraw/zinc/76/64/86/966766486.db2.gz KJWCHMJKGZMKTL-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3nccc3C2)c(C)c1 ZINC001203744832 966766494 /nfs/dbraw/zinc/76/64/94/966766494.db2.gz KJWCHMJKGZMKTL-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO COc1ccc(C[N@@H+]2CCC(=O)C[C@@H]2C)cc1C ZINC001203895042 966814400 /nfs/dbraw/zinc/81/44/00/966814400.db2.gz NXDPZQGBNAQFPI-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C[N@H+]2CCC(=O)C[C@@H]2C)cc1C ZINC001203895042 966814403 /nfs/dbraw/zinc/81/44/03/966814403.db2.gz NXDPZQGBNAQFPI-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO CNc1ccc(Nc2cc(F)c(C)cc2N)c[nH+]1 ZINC001203456340 966823757 /nfs/dbraw/zinc/82/37/57/966823757.db2.gz CSJDTWLMPJRDMP-UHFFFAOYSA-N 1 2 246.289 2.897 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC001204009596 966849431 /nfs/dbraw/zinc/84/94/31/966849431.db2.gz ZXUIJFTXPDBRLV-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001204009596 966849432 /nfs/dbraw/zinc/84/94/32/966849432.db2.gz ZXUIJFTXPDBRLV-NSHDSACASA-N 1 2 233.340 2.808 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc[nH]1)C2 ZINC001204009795 966849523 /nfs/dbraw/zinc/84/95/23/966849523.db2.gz GWUBUZWAESCBDL-UHFFFAOYSA-N 1 2 228.295 2.539 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ccc[nH]1)C2 ZINC001204009795 966849527 /nfs/dbraw/zinc/84/95/27/966849527.db2.gz GWUBUZWAESCBDL-UHFFFAOYSA-N 1 2 228.295 2.539 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(C)s2)C1 ZINC001204033413 966861595 /nfs/dbraw/zinc/86/15/95/966861595.db2.gz XWEPVNBJKFMNBM-UHFFFAOYSA-N 1 2 225.357 2.667 20 0 BFADLO F[C@H]1C[N@H+](Cc2cccnc2)CCCC1(F)F ZINC001204072584 966880039 /nfs/dbraw/zinc/88/00/39/966880039.db2.gz NOQNKGSZZHDGDT-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO F[C@H]1C[N@@H+](Cc2cccnc2)CCCC1(F)F ZINC001204072584 966880045 /nfs/dbraw/zinc/88/00/45/966880045.db2.gz NOQNKGSZZHDGDT-NSHDSACASA-N 1 2 244.260 2.651 20 0 BFADLO CNc1ccc(Nc2cccc(N(C)C)c2)c[nH+]1 ZINC001203459102 966886940 /nfs/dbraw/zinc/88/69/40/966886940.db2.gz FCWMKMRQKAPGPC-UHFFFAOYSA-N 1 2 242.326 2.933 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001204223339 966926498 /nfs/dbraw/zinc/92/64/98/966926498.db2.gz CBYAGXHNEJJLSO-SCZZXKLOSA-N 1 2 229.245 2.897 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC001204223339 966926508 /nfs/dbraw/zinc/92/65/08/966926508.db2.gz CBYAGXHNEJJLSO-SCZZXKLOSA-N 1 2 229.245 2.897 20 0 BFADLO CC(C)(C)c1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001204397659 966994169 /nfs/dbraw/zinc/99/41/69/966994169.db2.gz BCZVGHHBVHHYDD-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO COc1cc(C[N@@H+]2C[C@H](F)C[C@H]2C)ccc1F ZINC001204555821 967050942 /nfs/dbraw/zinc/05/09/42/967050942.db2.gz SOEPNLICLOBKMF-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(C[N@H+]2C[C@H](F)C[C@H]2C)ccc1F ZINC001204555821 967050956 /nfs/dbraw/zinc/05/09/56/967050956.db2.gz SOEPNLICLOBKMF-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO CNc1ccc(Nc2c(C)cccc2CO)c[nH+]1 ZINC001203462450 967102806 /nfs/dbraw/zinc/10/28/06/967102806.db2.gz RUGDANMPEHTCCU-UHFFFAOYSA-N 1 2 243.310 2.668 20 0 BFADLO COc1ccc(-c2cn3cc[nH+]c3cc2C)cn1 ZINC001239725817 967113821 /nfs/dbraw/zinc/11/38/21/967113821.db2.gz UVTBRPDFMUSWDJ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO O=C(Cc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC001249884998 967129836 /nfs/dbraw/zinc/12/98/36/967129836.db2.gz MSIVKPFFXHOCPQ-UHFFFAOYSA-N 1 2 236.274 2.760 20 0 BFADLO CNc1cc(CC(=O)c2ccc(C)cc2)cc[nH+]1 ZINC001249911824 967149970 /nfs/dbraw/zinc/14/99/70/967149970.db2.gz CJDICWYJKUXLJL-UHFFFAOYSA-N 1 2 240.306 2.857 20 0 BFADLO Cc1cccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204943795 967243468 /nfs/dbraw/zinc/24/34/68/967243468.db2.gz PKAAQAULVWHFTR-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Cc1csc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204942826 967244231 /nfs/dbraw/zinc/24/42/31/967244231.db2.gz BDIXBCUFAXYMSO-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Cc1ccnc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204943797 967247157 /nfs/dbraw/zinc/24/71/57/967247157.db2.gz PQZNWRFHTHEGKV-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Fc1cccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204950934 967253087 /nfs/dbraw/zinc/25/30/87/967253087.db2.gz IFVYJAKWONEBIT-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO CNc1cc(-c2cccc(COC)c2)cc[nH+]1 ZINC001239937728 967265501 /nfs/dbraw/zinc/26/55/01/967265501.db2.gz OONKSKTYSLWNJT-UHFFFAOYSA-N 1 2 228.295 2.937 20 0 BFADLO Cc1cc(F)nc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204970979 967270279 /nfs/dbraw/zinc/27/02/79/967270279.db2.gz DTNHCVQQTNJMDC-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CN(c1ccn2cc[nH+]c2c1)c1ccccc1N ZINC001204982624 967274611 /nfs/dbraw/zinc/27/46/11/967274611.db2.gz AQAAXVGWQAPEII-UHFFFAOYSA-N 1 2 238.294 2.684 20 0 BFADLO Oc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204983081 967274791 /nfs/dbraw/zinc/27/47/91/967274791.db2.gz OXWDVOSDZPWARE-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1C[C@H]1CCCO1 ZINC001250104471 967378343 /nfs/dbraw/zinc/37/83/43/967378343.db2.gz JJQBWJSHUWPPPW-CQSZACIVSA-N 1 2 217.312 2.989 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)ccc1F ZINC001205187260 967418100 /nfs/dbraw/zinc/41/81/00/967418100.db2.gz VZXJLIDWEXGGIH-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3C2)ccc1F ZINC001205187260 967418107 /nfs/dbraw/zinc/41/81/07/967418107.db2.gz VZXJLIDWEXGGIH-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Fc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240215857 967424366 /nfs/dbraw/zinc/42/43/66/967424366.db2.gz XRKWQLKKWMEOGZ-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCCC23COC3)cc1F ZINC001205236799 967434686 /nfs/dbraw/zinc/43/46/86/967434686.db2.gz UPITZGIVWTWKLU-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@H+]2CCCCC23COC3)cc1F ZINC001205236799 967434698 /nfs/dbraw/zinc/43/46/98/967434698.db2.gz UPITZGIVWTWKLU-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+](C)CCF ZINC001250188208 967501761 /nfs/dbraw/zinc/50/17/61/967501761.db2.gz VDEKUCVJBWZWBR-UHFFFAOYSA-N 1 2 225.307 2.795 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+](C)CCF ZINC001250188208 967501782 /nfs/dbraw/zinc/50/17/82/967501782.db2.gz VDEKUCVJBWZWBR-UHFFFAOYSA-N 1 2 225.307 2.795 20 0 BFADLO CNc1cc(CC(=O)c2cccc(F)c2)cc[nH+]1 ZINC001250236576 967547091 /nfs/dbraw/zinc/54/70/91/967547091.db2.gz BURPXNNGWWSINE-UHFFFAOYSA-N 1 2 244.269 2.688 20 0 BFADLO Cc1cc(CC(=O)Oc2ccccc2)cc(C)[nH+]1 ZINC001250256480 967567316 /nfs/dbraw/zinc/56/73/16/967567316.db2.gz SXYFWTFZEULQNW-UHFFFAOYSA-N 1 2 241.290 2.847 20 0 BFADLO COCCCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250302625 967644482 /nfs/dbraw/zinc/64/44/82/967644482.db2.gz HGZBWDBTVAIVNH-UHFFFAOYSA-N 1 2 216.284 2.656 20 0 BFADLO CNc1cc(CC(=O)c2cccs2)cc[nH+]1 ZINC001250307700 967655396 /nfs/dbraw/zinc/65/53/96/967655396.db2.gz CVNVZPCFUXTATP-UHFFFAOYSA-N 1 2 232.308 2.610 20 0 BFADLO c1cn(CCc2coc3ccccc23)c[nH+]1 ZINC001250316599 967684177 /nfs/dbraw/zinc/68/41/77/967684177.db2.gz OAIZDVIJKGVZAJ-UHFFFAOYSA-N 1 2 212.252 2.872 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250316682 967689635 /nfs/dbraw/zinc/68/96/35/967689635.db2.gz SKBQUIJYVJEZLQ-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO Cn1c(CCn2cc[nH+]c2)cc2ccccc21 ZINC001250318347 967690470 /nfs/dbraw/zinc/69/04/70/967690470.db2.gz DCUJSKGTJRZXNL-UHFFFAOYSA-N 1 2 225.295 2.618 20 0 BFADLO Fc1cc(F)c(CCn2cc[nH+]c2)c(F)c1 ZINC001250316744 967690792 /nfs/dbraw/zinc/69/07/92/967690792.db2.gz VPPHUTVVIZVBQD-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO FC(F)(F)c1ccncc1CCn1cc[nH+]c1 ZINC001250318522 967691419 /nfs/dbraw/zinc/69/14/19/967691419.db2.gz GMCOUQLFEFJSHW-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)c(OC)c1 ZINC001250318638 967692075 /nfs/dbraw/zinc/69/20/75/967692075.db2.gz HWTZZDXXAAWINU-UHFFFAOYSA-N 1 2 246.310 2.533 20 0 BFADLO Cc1nc(OC(C)C)ccc1CCn1cc[nH+]c1 ZINC001250319203 967695309 /nfs/dbraw/zinc/69/53/09/967695309.db2.gz AVENKWWAUXRREZ-UHFFFAOYSA-N 1 2 245.326 2.616 20 0 BFADLO CCn1cc(C[N@H+](Cc2ccco2)C2CC2)cn1 ZINC001205552530 967695353 /nfs/dbraw/zinc/69/53/53/967695353.db2.gz JTLCTIDDZZYEKP-UHFFFAOYSA-N 1 2 245.326 2.661 20 0 BFADLO CCn1cc(C[N@@H+](Cc2ccco2)C2CC2)cn1 ZINC001205552530 967695355 /nfs/dbraw/zinc/69/53/55/967695355.db2.gz JTLCTIDDZZYEKP-UHFFFAOYSA-N 1 2 245.326 2.661 20 0 BFADLO COc1c(F)c(C)ccc1CCn1cc[nH+]c1 ZINC001250320489 967697169 /nfs/dbraw/zinc/69/71/69/967697169.db2.gz MQLUXSBABSDYTJ-UHFFFAOYSA-N 1 2 234.274 2.582 20 0 BFADLO CNc1ccc(Nc2cncc(Cl)c2)c[nH+]1 ZINC001203448612 967713367 /nfs/dbraw/zinc/71/33/67/967713367.db2.gz BUNPMQRDCYXDDZ-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2ccsc2)c[nH+]1 ZINC001203448586 967713499 /nfs/dbraw/zinc/71/34/99/967713499.db2.gz BHGNHUNRRUMVJJ-UHFFFAOYSA-N 1 2 205.286 2.928 20 0 BFADLO Cc1cc(Cc2cc(C)c[nH+]c2C)on1 ZINC001250364484 967775126 /nfs/dbraw/zinc/77/51/26/967775126.db2.gz MINNTFKYCJTRFZ-UHFFFAOYSA-N 1 2 202.257 2.586 20 0 BFADLO COCOc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC001250416321 967821650 /nfs/dbraw/zinc/82/16/50/967821650.db2.gz OOCDKMKBDUSMFI-UHFFFAOYSA-N 1 2 234.299 2.843 20 0 BFADLO CC(C)Cc1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250425705 967839180 /nfs/dbraw/zinc/83/91/80/967839180.db2.gz NJQVPDASGDYDHU-UHFFFAOYSA-N 1 2 216.284 2.696 20 0 BFADLO CCCCc1[nH+]c2cc(OC)ccc2n1C ZINC001250426148 967839549 /nfs/dbraw/zinc/83/95/49/967839549.db2.gz FQPRRXUHNOLHEQ-UHFFFAOYSA-N 1 2 218.300 2.925 20 0 BFADLO COc1cc2[nH+]c(C3CC3)[nH]c2cc1C ZINC001250427152 967842989 /nfs/dbraw/zinc/84/29/89/967842989.db2.gz WCMGVUBNMGBPQO-UHFFFAOYSA-N 1 2 202.257 2.757 20 0 BFADLO c1c2[nH]c(C3CCCC3)[nH+]c2cc2c1OCO2 ZINC001250427668 967843547 /nfs/dbraw/zinc/84/35/47/967843547.db2.gz DNVZJYVGJVDTQG-UHFFFAOYSA-N 1 2 230.267 2.949 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)[C@H]1C ZINC001206013807 967942928 /nfs/dbraw/zinc/94/29/28/967942928.db2.gz AVMLKFMSQZSKEN-SFYZADRCSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]1C ZINC001206013807 967942940 /nfs/dbraw/zinc/94/29/40/967942940.db2.gz AVMLKFMSQZSKEN-SFYZADRCSA-N 1 2 227.254 2.511 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)co1 ZINC001206040294 968000051 /nfs/dbraw/zinc/00/00/51/968000051.db2.gz ALJDULNVAWCZAE-JTQLQIEISA-N 1 2 248.248 2.552 20 0 BFADLO COc1ccc2[nH]c(C3(C)CCOCC3)[nH+]c2c1 ZINC001250562426 968070244 /nfs/dbraw/zinc/07/02/44/968070244.db2.gz HSLRKXXQKQSMTR-UHFFFAOYSA-N 1 2 246.310 2.640 20 0 BFADLO COCCCc1[nH]c2ccc(F)c(C)c2[nH+]1 ZINC001250602189 968143834 /nfs/dbraw/zinc/14/38/34/968143834.db2.gz GMRQYUWRDMWJJG-UHFFFAOYSA-N 1 2 222.263 2.589 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc2c(c1)CC(=O)N2 ZINC001206215190 968148402 /nfs/dbraw/zinc/14/84/02/968148402.db2.gz BPPQIDLYKHUNMG-UHFFFAOYSA-N 1 2 238.290 2.860 20 0 BFADLO C[C@H]1C[C@@H]1c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250613960 968162041 /nfs/dbraw/zinc/16/20/41/968162041.db2.gz GBQNTWMLROEMBR-CBAPKCEASA-N 1 2 214.268 2.621 20 0 BFADLO COCOc1ccc2[nH]c([C@@H]3C[C@H]3C)[nH+]c2c1 ZINC001250615699 968163209 /nfs/dbraw/zinc/16/32/09/968163209.db2.gz QRVKGBQMVIZAER-PSASIEDQSA-N 1 2 232.283 2.669 20 0 BFADLO c1cc2cc(NC[C@H]3CCCCO3)[nH+]cc2[nH]1 ZINC001164657350 968256117 /nfs/dbraw/zinc/25/61/17/968256117.db2.gz YPIPDOWZWFUCEP-LLVKDONJSA-N 1 2 231.299 2.544 20 0 BFADLO C[N@H+](C/C=C/c1cccc(F)c1)Cc1cnc[nH]1 ZINC001206628726 968422464 /nfs/dbraw/zinc/42/24/64/968422464.db2.gz KLEVDILLNSDQPG-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C/c1cccc(F)c1)Cc1cnc[nH]1 ZINC001206628726 968422469 /nfs/dbraw/zinc/42/24/69/968422469.db2.gz KLEVDILLNSDQPG-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@H+](C/C=C/c1cccc(F)c1)Cc1c[nH]cn1 ZINC001206628726 968422481 /nfs/dbraw/zinc/42/24/81/968422481.db2.gz KLEVDILLNSDQPG-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C/c1cccc(F)c1)Cc1c[nH]cn1 ZINC001206628726 968422485 /nfs/dbraw/zinc/42/24/85/968422485.db2.gz KLEVDILLNSDQPG-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO Oc1cc(F)cc(Nc2cccc3[nH+]ccn32)c1 ZINC001206754083 968454419 /nfs/dbraw/zinc/45/44/19/968454419.db2.gz AFYLTVKRRGOBDP-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO COc1cc(C)ccc1C[N@@H+]1CCCC(=O)CC1 ZINC001206749675 968455014 /nfs/dbraw/zinc/45/50/14/968455014.db2.gz TYCKCAJWXSENFR-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO COc1cc(C)ccc1C[N@H+]1CCCC(=O)CC1 ZINC001206749675 968455019 /nfs/dbraw/zinc/45/50/19/968455019.db2.gz TYCKCAJWXSENFR-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO C[C@@]1(F)CCCC[N@H+](Cc2ccncc2F)C1 ZINC001206783868 968469479 /nfs/dbraw/zinc/46/94/79/968469479.db2.gz UKXQXSWPUZKFSG-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@@]1(F)CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001206783868 968469485 /nfs/dbraw/zinc/46/94/85/968469485.db2.gz UKXQXSWPUZKFSG-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO Fc1cncc(F)c1C[N@H+]1CCC[C@H](F)CC1 ZINC001206855011 968502854 /nfs/dbraw/zinc/50/28/54/968502854.db2.gz MCPGKSVUPIJALB-VIFPVBQESA-N 1 2 244.260 2.684 20 0 BFADLO Fc1cncc(F)c1C[N@@H+]1CCC[C@H](F)CC1 ZINC001206855011 968502859 /nfs/dbraw/zinc/50/28/59/968502859.db2.gz MCPGKSVUPIJALB-VIFPVBQESA-N 1 2 244.260 2.684 20 0 BFADLO CC(C)=Cc1ccc(Cn2cc[nH+]c2)cn1 ZINC001240632832 968581103 /nfs/dbraw/zinc/58/11/03/968581103.db2.gz DIVYRTHRJJZLBA-UHFFFAOYSA-N 1 2 213.284 2.750 20 0 BFADLO Cc1cnc(C[N@H+](Cc2ccco2)C2CC2)cn1 ZINC001207081343 968615168 /nfs/dbraw/zinc/61/51/68/968615168.db2.gz MEQDXLDVTKRZAB-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cnc(C[N@@H+](Cc2ccco2)C2CC2)cn1 ZINC001207081343 968615174 /nfs/dbraw/zinc/61/51/74/968615174.db2.gz MEQDXLDVTKRZAB-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO FC[C@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207096990 968627233 /nfs/dbraw/zinc/62/72/33/968627233.db2.gz KUFWMPBLKGWLSA-SECBINFHSA-N 1 2 244.260 2.541 20 0 BFADLO FC[C@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207096990 968627237 /nfs/dbraw/zinc/62/72/37/968627237.db2.gz KUFWMPBLKGWLSA-SECBINFHSA-N 1 2 244.260 2.541 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2ccc[nH]c2=O)c1 ZINC001241119549 968936372 /nfs/dbraw/zinc/93/63/72/968936372.db2.gz PWIBEPNEAUBILG-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO Oc1cc(F)c(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001241122554 968937058 /nfs/dbraw/zinc/93/70/58/968937058.db2.gz SMXDVFVFNGCWLX-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Nc1cc(-c2ccc3cnsc3c2)cc[nH+]1 ZINC001241170889 968942287 /nfs/dbraw/zinc/94/22/87/968942287.db2.gz WPTRQBGFTBFXLE-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N)c2)c2[nH]ccc21 ZINC001241162149 968944394 /nfs/dbraw/zinc/94/43/94/968944394.db2.gz GCBBYJKGKDIVOS-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ncnc(C)c1C ZINC001241229094 968958798 /nfs/dbraw/zinc/95/87/98/968958798.db2.gz WZCRXYQFNOXVIW-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO C[N@@H+]1CCC=C(c2c(F)ccc(F)c2F)C1 ZINC001241571051 969068329 /nfs/dbraw/zinc/06/83/29/969068329.db2.gz UPOQRGKZROOGEA-UHFFFAOYSA-N 1 2 227.229 2.823 20 0 BFADLO C[N@H+]1CCC=C(c2c(F)ccc(F)c2F)C1 ZINC001241571051 969068339 /nfs/dbraw/zinc/06/83/39/969068339.db2.gz UPOQRGKZROOGEA-UHFFFAOYSA-N 1 2 227.229 2.823 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208161779 969090122 /nfs/dbraw/zinc/09/01/22/969090122.db2.gz ODAGKLBGJQGKCL-AAEUAGOBSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCC(C)=C[C@@H]2C)no1 ZINC001208161779 969090138 /nfs/dbraw/zinc/09/01/38/969090138.db2.gz ODAGKLBGJQGKCL-AAEUAGOBSA-N 1 2 249.358 2.802 20 0 BFADLO c1cc(C2=CCCCC2)cc(N2CCOCC2)[nH+]1 ZINC001241717667 969099928 /nfs/dbraw/zinc/09/99/28/969099928.db2.gz WNLWNPRXEVEGNS-UHFFFAOYSA-N 1 2 244.338 2.876 20 0 BFADLO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001208183018 969111602 /nfs/dbraw/zinc/11/16/02/969111602.db2.gz WMXRUDUNOCYBDA-AVGNSLFASA-N 1 2 239.334 2.592 20 0 BFADLO CC1=C[C@H](C)[C@H](C[N@H+]2CCC(=O)[C@@H](F)C2)CC1 ZINC001208183018 969111606 /nfs/dbraw/zinc/11/16/06/969111606.db2.gz WMXRUDUNOCYBDA-AVGNSLFASA-N 1 2 239.334 2.592 20 0 BFADLO OCc1cc(-c2cccc3[nH+]ccn32)ccc1F ZINC001241789792 969117810 /nfs/dbraw/zinc/11/78/10/969117810.db2.gz NCKSMFIMUZHMJA-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO c1cn2cc(-c3cnn(C4CC4)c3)ccc2[nH+]1 ZINC001241905891 969137524 /nfs/dbraw/zinc/13/75/24/969137524.db2.gz ACJFJFFSVJWDJR-UHFFFAOYSA-N 1 2 224.267 2.533 20 0 BFADLO COc1cc(Cl)ccc1-c1cc[nH+]c(N)c1 ZINC001241897944 969137855 /nfs/dbraw/zinc/13/78/55/969137855.db2.gz YNDKORWXCKCQCC-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccc(=O)[nH]c2)cc1 ZINC001242065363 969192932 /nfs/dbraw/zinc/19/29/32/969192932.db2.gz LNAKEQKBXTUAPQ-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO c1cn(-c2ccc(C3=CCOCC3)cc2)c[nH+]1 ZINC001242076393 969199692 /nfs/dbraw/zinc/19/96/92/969199692.db2.gz NJKQSZAKLKMJQI-UHFFFAOYSA-N 1 2 226.279 2.676 20 0 BFADLO Cc1noc(C)c1-c1ccc2[nH+]ccn2c1 ZINC001242106090 969204322 /nfs/dbraw/zinc/20/43/22/969204322.db2.gz LZQUSPUVJWPBFC-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO c1cn2ccc(NCCC3CCC3)cc2[nH+]1 ZINC001168888664 969246515 /nfs/dbraw/zinc/24/65/15/969246515.db2.gz LXQJNKPVRWKDDI-UHFFFAOYSA-N 1 2 215.300 2.936 20 0 BFADLO FC1(F)CCCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC001208874642 969260456 /nfs/dbraw/zinc/26/04/56/969260456.db2.gz XWWJOHZUTGJRAQ-NSHDSACASA-N 1 2 231.286 2.800 20 0 BFADLO FC1(F)CCCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001208874642 969260466 /nfs/dbraw/zinc/26/04/66/969260466.db2.gz XWWJOHZUTGJRAQ-NSHDSACASA-N 1 2 231.286 2.800 20 0 BFADLO Cc1ccsc1C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001204018676 969262301 /nfs/dbraw/zinc/26/23/01/969262301.db2.gz AMLOPFUDTBTCFF-UWVGGRQHSA-N 1 2 231.311 2.938 20 0 BFADLO Cc1ccsc1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001204018676 969262310 /nfs/dbraw/zinc/26/23/10/969262310.db2.gz AMLOPFUDTBTCFF-UWVGGRQHSA-N 1 2 231.311 2.938 20 0 BFADLO CC1(C[N@@H+]2CCn3ccnc3C2)CCCCC1 ZINC001208897180 969286084 /nfs/dbraw/zinc/28/60/84/969286084.db2.gz VGZMFXXJJFGRHH-UHFFFAOYSA-N 1 2 233.359 2.669 20 0 BFADLO CC1(C[N@H+]2CCn3ccnc3C2)CCCCC1 ZINC001208897180 969286094 /nfs/dbraw/zinc/28/60/94/969286094.db2.gz VGZMFXXJJFGRHH-UHFFFAOYSA-N 1 2 233.359 2.669 20 0 BFADLO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@@H]1CF ZINC001209638944 969571322 /nfs/dbraw/zinc/57/13/22/969571322.db2.gz ZNMBFCWELPUJNH-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@@H]1CF ZINC001209638944 969571325 /nfs/dbraw/zinc/57/13/25/969571325.db2.gz ZNMBFCWELPUJNH-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO CCOC1C[NH+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209690401 969577412 /nfs/dbraw/zinc/57/74/12/969577412.db2.gz SROLPGGFPJLOPY-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1CC[N@@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754100 969601327 /nfs/dbraw/zinc/60/13/27/969601327.db2.gz WPIXYJDLRCBLOB-QMMMGPOBSA-N 1 2 235.718 2.811 20 0 BFADLO C[C@H]1CC[N@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754100 969601334 /nfs/dbraw/zinc/60/13/34/969601334.db2.gz WPIXYJDLRCBLOB-QMMMGPOBSA-N 1 2 235.718 2.811 20 0 BFADLO CCN(C)c1ccc(Nc2ncccc2F)c[nH+]1 ZINC001209810429 969633915 /nfs/dbraw/zinc/63/39/15/969633915.db2.gz RGJNDFNIFFCMKT-UHFFFAOYSA-N 1 2 246.289 2.815 20 0 BFADLO Cc1cnc(C)c(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209841018 969649801 /nfs/dbraw/zinc/64/98/01/969649801.db2.gz AXJFOEFPKBEQNK-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO c1[nH]c2ccc(Nc3cn4ccccc4n3)cc2[nH+]1 ZINC001209847930 969660000 /nfs/dbraw/zinc/66/00/00/969660000.db2.gz JOYHCRYFGXCWDZ-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(O)c(C)c2)[nH+]1 ZINC001209975278 969745572 /nfs/dbraw/zinc/74/55/72/969745572.db2.gz RBHBVLGJQUSVOE-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO c1nnsc1Nc1ccc2c[nH+]ccc2c1 ZINC001210044617 969772920 /nfs/dbraw/zinc/77/29/20/969772920.db2.gz CIPZRJUKVOGBHN-UHFFFAOYSA-N 1 2 228.280 2.830 20 0 BFADLO Cn1cnc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001210043873 969773884 /nfs/dbraw/zinc/77/38/84/969773884.db2.gz LCUMMUGSDUCPFV-UHFFFAOYSA-N 1 2 224.267 2.712 20 0 BFADLO Cc1cc(N[C@H]2CCCOC2)ccc1[NH+](C)C ZINC001169667084 969806540 /nfs/dbraw/zinc/80/65/40/969806540.db2.gz AAYNCJJSHQHZDI-ZDUSSCGKSA-N 1 2 234.343 2.652 20 0 BFADLO O=c1cc[nH]cc1Nc1cccc2cc[nH+]cc21 ZINC001210225045 969837163 /nfs/dbraw/zinc/83/71/63/969837163.db2.gz BIUCIMDBGIYEAF-UHFFFAOYSA-N 1 2 237.262 2.667 20 0 BFADLO c1cc(Nc2cccc3cc[nH+]cc32)no1 ZINC001210222709 969838308 /nfs/dbraw/zinc/83/83/08/969838308.db2.gz UXWOZIFPIOUJKZ-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(O)cc2C)cc1CO ZINC001210244808 969840546 /nfs/dbraw/zinc/84/05/46/969840546.db2.gz IRGOKBLZJQRBHT-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO CO[C@@H](C)CNc1cc2ccc(C)cc2c[nH+]1 ZINC001169771978 969845081 /nfs/dbraw/zinc/84/50/81/969845081.db2.gz BISWVGGTHHCIMR-NSHDSACASA-N 1 2 230.311 2.990 20 0 BFADLO Cc1[nH+]cc(Nc2ccsc2)cc1N ZINC001210285695 969852653 /nfs/dbraw/zinc/85/26/53/969852653.db2.gz PGDUPRRUWOFEMV-UHFFFAOYSA-N 1 2 205.286 2.777 20 0 BFADLO COc1c(F)cccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210287873 969856356 /nfs/dbraw/zinc/85/63/56/969856356.db2.gz DYTIAHPCBYGYDE-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3cnoc3c2)cc1N ZINC001210289455 969856545 /nfs/dbraw/zinc/85/65/45/969856545.db2.gz MGJVDKGJABFKQL-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(F)cc2)cc1N ZINC001210287865 969856930 /nfs/dbraw/zinc/85/69/30/969856930.db2.gz DSSRHBIDBCVSBQ-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO COCc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1 ZINC001210289472 969857481 /nfs/dbraw/zinc/85/74/81/969857481.db2.gz NEZLXDPTNCJEST-UHFFFAOYSA-N 1 2 243.310 2.862 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3oncc3c2)cc1N ZINC001210290868 969860493 /nfs/dbraw/zinc/86/04/93/969860493.db2.gz SETJSFQNGRTKEV-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO CC(C)n1nccc1Nc1cccc2[nH+]ccn21 ZINC001210511985 969919942 /nfs/dbraw/zinc/91/99/42/969919942.db2.gz MLQYDHDZDIIXCJ-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO CC(C)n1nccc1Nc1cccn2cc[nH+]c12 ZINC001210517468 969922119 /nfs/dbraw/zinc/92/21/19/969922119.db2.gz ZABBKELEMRDKHH-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO Cc1oncc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001210579926 969956720 /nfs/dbraw/zinc/95/67/20/969956720.db2.gz ZMKWHNIWMZCWQY-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO Cc1ccc(Nc2c[nH]c(=O)c(F)c2)c(C)[nH+]1 ZINC001210597047 969971371 /nfs/dbraw/zinc/97/13/71/969971371.db2.gz PEIVQIJHKNZVKE-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO CC(C)(CCO)Nc1cc2ccccc2c[nH+]1 ZINC001156905703 970031629 /nfs/dbraw/zinc/03/16/29/970031629.db2.gz RKYQUEWNORZNQK-UHFFFAOYSA-N 1 2 230.311 2.808 20 0 BFADLO Cc1ccc[nH+]c1Nc1cc(F)c(N)c(F)c1 ZINC001210904126 970063763 /nfs/dbraw/zinc/06/37/63/970063763.db2.gz MUQFJYHVTILPGD-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CC1(C)CCC([N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001255306356 970073955 /nfs/dbraw/zinc/07/39/55/970073955.db2.gz IBGFHEIEGKPIDB-LLVKDONJSA-N 1 2 247.329 2.657 20 0 BFADLO CC1(C)CCC([N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC001255306356 970073963 /nfs/dbraw/zinc/07/39/63/970073963.db2.gz IBGFHEIEGKPIDB-LLVKDONJSA-N 1 2 247.329 2.657 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2ccncn2)cc1 ZINC001211031770 970126549 /nfs/dbraw/zinc/12/65/49/970126549.db2.gz GVRQPBRKUGZSIQ-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2ccncn2)cc1 ZINC001211031770 970126561 /nfs/dbraw/zinc/12/65/61/970126561.db2.gz GVRQPBRKUGZSIQ-UHFFFAOYSA-N 1 2 228.299 2.676 20 0 BFADLO CC[C@@H](C)Nc1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001157236568 970163732 /nfs/dbraw/zinc/16/37/32/970163732.db2.gz DVABNJGJNYTHGT-XUIVZRPNSA-N 1 2 248.326 2.787 20 0 BFADLO Cc1cn2c(cccc2-c2cnn3ccccc23)[nH+]1 ZINC001242963876 970178451 /nfs/dbraw/zinc/17/84/51/970178451.db2.gz ABXRXQQQVKJRIQ-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO C[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)F)C1 ZINC001170097690 970265482 /nfs/dbraw/zinc/26/54/82/970265482.db2.gz ADRBSANGHHRAEI-BQBZGAKWSA-N 1 2 231.208 2.962 20 0 BFADLO CCOC(=O)c1ccc(-c2c[nH+]cn2C)c(C)c1 ZINC001243066377 970255798 /nfs/dbraw/zinc/25/57/98/970255798.db2.gz DFWCXXHSXSKBPE-UHFFFAOYSA-N 1 2 244.294 2.572 20 0 BFADLO COc1cnc2cc(-c3c[nH+]cn3C)ccc2c1 ZINC001243069211 970260621 /nfs/dbraw/zinc/26/06/21/970260621.db2.gz CKJGBUHTSWAJFJ-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO c1c[nH+]c(-c2ccc(Nc3cnoc3)cc2)[nH]1 ZINC001213086627 970275196 /nfs/dbraw/zinc/27/51/96/970275196.db2.gz UOJOARPNHFLZKP-UHFFFAOYSA-N 1 2 226.239 2.808 20 0 BFADLO Cc1cc(OCC(C)C)ncc1-c1c[nH+]cn1C ZINC001243071861 970281429 /nfs/dbraw/zinc/28/14/29/970281429.db2.gz HNLRQCYEWLGUKQ-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO Cc1cccc2c(-c3c[nH+]cn3C)ccnc12 ZINC001243071624 970285582 /nfs/dbraw/zinc/28/55/82/970285582.db2.gz WRNOUSMPMGBBSY-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1c[nH+]cc(Nc2cnncc2Cl)c1C ZINC001213525275 970324919 /nfs/dbraw/zinc/32/49/19/970324919.db2.gz QATONBJIBVETDS-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccncn1 ZINC001213489954 970325753 /nfs/dbraw/zinc/32/57/53/970325753.db2.gz XRMXKNGXHWPODW-UHFFFAOYSA-N 1 2 226.283 2.801 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cncnc1 ZINC001213489263 970326766 /nfs/dbraw/zinc/32/67/66/970326766.db2.gz NAHBOZCRLZEJKK-UHFFFAOYSA-N 1 2 226.283 2.801 20 0 BFADLO CCc1nnc(Nc2c[nH+]c(C)cc2C)s1 ZINC001213503356 970331510 /nfs/dbraw/zinc/33/15/10/970331510.db2.gz AWIMLJABDSYNMU-UHFFFAOYSA-N 1 2 234.328 2.856 20 0 BFADLO COc1nc(C)ncc1Nc1c[nH+]c(C)cc1C ZINC001213508672 970332713 /nfs/dbraw/zinc/33/27/13/970332713.db2.gz YVTDVRRASSLEEL-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1nc(C)cnc1Nc1c[nH+]c(C)cc1C ZINC001213508408 970334380 /nfs/dbraw/zinc/33/43/80/970334380.db2.gz RYRSMELZCKPJBK-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1cnc(Nc2c[nH+]c(C)cc2C)c(C)n1 ZINC001213505497 970334569 /nfs/dbraw/zinc/33/45/69/970334569.db2.gz HQNLNKPZABOBSH-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(C)c(Nc2cc([C@H](C)O)ccn2)c[nH+]1 ZINC001213513453 970341103 /nfs/dbraw/zinc/34/11/03/970341103.db2.gz LCXQALKOBNPDAJ-NSHDSACASA-N 1 2 243.310 2.890 20 0 BFADLO Cc1c[nH+]cc(-n2ccc(N)c3ccnc2-3)c1C ZINC001213522799 970341764 /nfs/dbraw/zinc/34/17/64/970341764.db2.gz GVYMVILPLYGONA-UHFFFAOYSA-N 1 2 238.294 2.571 20 0 BFADLO COc1nccc(Nc2c[nH+]cc(C)c2C)c1F ZINC001213528911 970353986 /nfs/dbraw/zinc/35/39/86/970353986.db2.gz RDMPQPMMURZGIJ-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1c[nH+]cc(-n2cnc3ccc(N)cc32)c1C ZINC001213530834 970354382 /nfs/dbraw/zinc/35/43/82/970354382.db2.gz NNKOLJRJMZXPTB-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO CCc1coc(C[NH2+][C@H](C)CC(F)(F)F)n1 ZINC001255632675 970405893 /nfs/dbraw/zinc/40/58/93/970405893.db2.gz KSFZXYZHVNORID-SSDOTTSWSA-N 1 2 236.237 2.668 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cc(F)ccc1N ZINC001214197814 970461393 /nfs/dbraw/zinc/46/13/93/970461393.db2.gz BBZGBXXMLIQRHF-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001255841040 970510005 /nfs/dbraw/zinc/51/00/05/970510005.db2.gz BDVLYHYNZHGMFZ-NEPJUHHUSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC(=O)[C@H](C)C1 ZINC001255841040 970510011 /nfs/dbraw/zinc/51/00/11/970510011.db2.gz BDVLYHYNZHGMFZ-NEPJUHHUSA-N 1 2 249.329 2.668 20 0 BFADLO CC(=O)c1cc(Nc2[nH+]cc(C)cc2N)cs1 ZINC001214773568 970534878 /nfs/dbraw/zinc/53/48/78/970534878.db2.gz HDOOCWZLCXALBM-UHFFFAOYSA-N 1 2 247.323 2.980 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001222595038 972590851 /nfs/dbraw/zinc/59/08/51/972590851.db2.gz MFVNFMLDFODXKV-JTQLQIEISA-N 1 2 234.274 2.837 20 0 BFADLO Cn1c[nH+]cc1CO[C@H]1CC2CCC1CC2 ZINC001222594567 972593186 /nfs/dbraw/zinc/59/31/86/972593186.db2.gz GQYGAWMDGFXCIX-XIVSLSHWSA-N 1 2 220.316 2.515 20 0 BFADLO Cn1c[nH+]cc1CO[C@H]1CCCC(C)(C)C1 ZINC001222600387 972597035 /nfs/dbraw/zinc/59/70/35/972597035.db2.gz NTMDMAZMGGQOKL-LBPRGKRZSA-N 1 2 222.332 2.906 20 0 BFADLO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1nnc[nH]1 ZINC001327556046 972633446 /nfs/dbraw/zinc/63/34/46/972633446.db2.gz VZDCMMMXVNMPQW-LBPRGKRZSA-N 1 2 236.363 2.595 20 0 BFADLO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1nnc[nH]1 ZINC001327556046 972633457 /nfs/dbraw/zinc/63/34/57/972633457.db2.gz VZDCMMMXVNMPQW-LBPRGKRZSA-N 1 2 236.363 2.595 20 0 BFADLO CC1CC([N@H+](C)Cc2c(F)cc(O)cc2F)C1 ZINC001144541750 972862112 /nfs/dbraw/zinc/86/21/12/972862112.db2.gz KQJIKACEKHSTGM-UHFFFAOYSA-N 1 2 241.281 2.901 20 0 BFADLO CC1CC([N@@H+](C)Cc2c(F)cc(O)cc2F)C1 ZINC001144541750 972862116 /nfs/dbraw/zinc/86/21/16/972862116.db2.gz KQJIKACEKHSTGM-UHFFFAOYSA-N 1 2 241.281 2.901 20 0 BFADLO C[N@@H+](Cc1c(F)cc(O)cc1F)CC1CC1 ZINC001144542187 972862451 /nfs/dbraw/zinc/86/24/51/972862451.db2.gz RSAKITPXYJMVCQ-UHFFFAOYSA-N 1 2 227.254 2.512 20 0 BFADLO C[N@H+](Cc1c(F)cc(O)cc1F)CC1CC1 ZINC001144542187 972862457 /nfs/dbraw/zinc/86/24/57/972862457.db2.gz RSAKITPXYJMVCQ-UHFFFAOYSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647035 972903546 /nfs/dbraw/zinc/90/35/46/972903546.db2.gz WEVZMHQXYISLHY-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647035 972903552 /nfs/dbraw/zinc/90/35/52/972903552.db2.gz WEVZMHQXYISLHY-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1cc(F)c(O)cc1F ZINC001144646834 972910948 /nfs/dbraw/zinc/91/09/48/972910948.db2.gz MLJNIMRSYRMXJX-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1cc(F)c(O)cc1F ZINC001144646834 972910973 /nfs/dbraw/zinc/91/09/73/972910973.db2.gz MLJNIMRSYRMXJX-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO Cc1cc(CO[C@H](C)c2ncccn2)cc(C)[nH+]1 ZINC001223421755 973054988 /nfs/dbraw/zinc/05/49/88/973054988.db2.gz QQGKUKJLYOQEML-GFCCVEGCSA-N 1 2 243.310 2.766 20 0 BFADLO Cc1cc(CO[C@H]2C=CCC2)cc(C)[nH+]1 ZINC001223424127 973067726 /nfs/dbraw/zinc/06/77/26/973067726.db2.gz HRFXTYFBABGTNB-ZDUSSCGKSA-N 1 2 203.285 2.934 20 0 BFADLO C[C@H](C(=O)N1CCCCCCCC1)n1cc[nH+]c1 ZINC001328618227 973200614 /nfs/dbraw/zinc/20/06/14/973200614.db2.gz DVJUSELBINYHAH-CYBMUJFWSA-N 1 2 249.358 2.627 20 0 BFADLO c1ccc(N[C@@H]2COCc3ccccc32)[nH+]c1 ZINC001171288608 973288235 /nfs/dbraw/zinc/28/82/35/973288235.db2.gz NTYZTIVQYPVKOQ-CYBMUJFWSA-N 1 2 226.279 2.765 20 0 BFADLO CCc1ccc(NC(C)(C)CC(C)=O)[nH+]c1 ZINC001171499227 974081697 /nfs/dbraw/zinc/08/16/97/974081697.db2.gz KTGJKFFTIPENKI-UHFFFAOYSA-N 1 2 220.316 2.814 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@H]1CCO[C@@H](C)C1 ZINC001224964643 974107158 /nfs/dbraw/zinc/10/71/58/974107158.db2.gz BCVNKAOADZYUEW-RYUDHWBXSA-N 1 2 243.347 2.755 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@H]1CCO[C@H](C)C1 ZINC001224964639 974107361 /nfs/dbraw/zinc/10/73/61/974107361.db2.gz BCVNKAOADZYUEW-NEPJUHHUSA-N 1 2 243.347 2.755 20 0 BFADLO CC(C)Oc1ccccc1OC1C[NH+](C(C)C)C1 ZINC001225208929 974231425 /nfs/dbraw/zinc/23/14/25/974231425.db2.gz FOZZCHNGGUDXOO-UHFFFAOYSA-N 1 2 249.354 2.945 20 0 BFADLO c1cnc2c(c1)CC[C@@H]2Oc1cc[nH+]cc1 ZINC001225290739 974359466 /nfs/dbraw/zinc/35/94/66/974359466.db2.gz HOUXQEVNZFMSBW-LBPRGKRZSA-N 1 2 212.252 2.543 20 0 BFADLO c1cnc2c(c1)CC[C@H]2Oc1cc[nH+]cc1 ZINC001225290738 974362101 /nfs/dbraw/zinc/36/21/01/974362101.db2.gz HOUXQEVNZFMSBW-GFCCVEGCSA-N 1 2 212.252 2.543 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1ccncc1F ZINC001225293920 974369238 /nfs/dbraw/zinc/36/92/38/974369238.db2.gz BZRYWYPVHSUFGR-SECBINFHSA-N 1 2 218.231 2.756 20 0 BFADLO CC(C)Oc1cc(COc2cc[nH+]cc2)ccn1 ZINC001225294113 974371280 /nfs/dbraw/zinc/37/12/80/974371280.db2.gz FOUHGBSQDLZPTR-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO FC(F)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172189602 974400708 /nfs/dbraw/zinc/40/07/08/974400708.db2.gz DPOGSZPMJBFBIM-VIFPVBQESA-N 1 2 229.295 2.558 20 0 BFADLO Cc1cc([C@@H](C)Nc2cc(CO)cc[nH+]2)c(C)o1 ZINC001330805940 974482673 /nfs/dbraw/zinc/48/26/73/974482673.db2.gz MWAFYJNNFDFRIL-SNVBAGLBSA-N 1 2 246.310 2.957 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C[C@@H]1C ZINC001172375112 974576783 /nfs/dbraw/zinc/57/67/83/974576783.db2.gz BYMKTZDCOKYYOR-NOOOWODRSA-N 1 2 247.329 2.513 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C[C@@H]1C ZINC001172375112 974576793 /nfs/dbraw/zinc/57/67/93/974576793.db2.gz BYMKTZDCOKYYOR-NOOOWODRSA-N 1 2 247.329 2.513 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@H+](C)CC(F)F ZINC001172362463 974633843 /nfs/dbraw/zinc/63/38/43/974633843.db2.gz SYTCGKNOKWYNIK-ZJUUUORDSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)CC(F)F ZINC001172362463 974633847 /nfs/dbraw/zinc/63/38/47/974633847.db2.gz SYTCGKNOKWYNIK-ZJUUUORDSA-N 1 2 223.307 2.777 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C[C@H]1C ZINC001172364235 974640285 /nfs/dbraw/zinc/64/02/85/974640285.db2.gz AONJTOTZZVVIQR-UTUOFQBUSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CCOCC(F)(F)C2)C[C@H]1C ZINC001172364235 974640289 /nfs/dbraw/zinc/64/02/89/974640289.db2.gz AONJTOTZZVVIQR-UTUOFQBUSA-N 1 2 247.329 2.779 20 0 BFADLO CCOCC[C@@H](C)[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172416163 974685422 /nfs/dbraw/zinc/68/54/22/974685422.db2.gz DSLIODSPFCFYGP-GHMZBOCLSA-N 1 2 235.318 2.779 20 0 BFADLO CCOCC[C@@H](C)[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001172416163 974685424 /nfs/dbraw/zinc/68/54/24/974685424.db2.gz DSLIODSPFCFYGP-GHMZBOCLSA-N 1 2 235.318 2.779 20 0 BFADLO CCC[C@H](c1nnc(C[NH+](C)C)o1)C(C)C ZINC001331892073 974852706 /nfs/dbraw/zinc/85/27/06/974852706.db2.gz XPIGEPRYISRWAE-JTQLQIEISA-N 1 2 225.336 2.671 20 0 BFADLO Cc1ccc2c(c1)C[C@H]([NH+]1CC(C)(F)C1)CC2 ZINC001172827864 974949137 /nfs/dbraw/zinc/94/91/37/974949137.db2.gz OHWCEUIPNZAEEH-CQSZACIVSA-N 1 2 233.330 2.896 20 0 BFADLO C[NH+]1CC(Oc2cc(Cl)nc3ccccc32)C1 ZINC001226887583 975136577 /nfs/dbraw/zinc/13/65/77/975136577.db2.gz QDCGBCKFOHKQGK-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCOc1cc(Nc2conc2C)cc(C)[nH+]1 ZINC001212719253 975172048 /nfs/dbraw/zinc/17/20/48/975172048.db2.gz CPYFGMOUYKGWBP-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO CC[NH+]1CC(Oc2cc(O)ccc2C(C)C)C1 ZINC001227018745 975221349 /nfs/dbraw/zinc/22/13/49/975221349.db2.gz JAJSNKSHLGCRJO-UHFFFAOYSA-N 1 2 235.327 2.599 20 0 BFADLO Cc1cc[nH+]c(C)c1OC[C@@H]1CCC=CO1 ZINC001227260680 975333866 /nfs/dbraw/zinc/33/38/66/975333866.db2.gz TUDZSGIBQDFMIU-LBPRGKRZSA-N 1 2 219.284 2.770 20 0 BFADLO Cc1c([C@H](C)Oc2c(C)cc[nH+]c2C)cnn1C ZINC001227261023 975334955 /nfs/dbraw/zinc/33/49/55/975334955.db2.gz WQLXFXLQNSIAOW-LBPRGKRZSA-N 1 2 245.326 2.880 20 0 BFADLO CC[C@@H]1OC(=O)C(Oc2c(C)cc[nH+]c2C)=C1C ZINC001227264108 975339912 /nfs/dbraw/zinc/33/99/12/975339912.db2.gz IUWIUGPDIUWMOC-NSHDSACASA-N 1 2 247.294 2.687 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1CCCCC1=O ZINC001227262594 975340632 /nfs/dbraw/zinc/34/06/32/975340632.db2.gz TWTQPFXZAYAVBU-LBPRGKRZSA-N 1 2 219.284 2.589 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1CCOC[C@H]1C ZINC001227261542 975341330 /nfs/dbraw/zinc/34/13/30/975341330.db2.gz BUYAEYPNFAAFOH-PWSUYJOCSA-N 1 2 221.300 2.502 20 0 BFADLO CCN(C)c1ccc(Nc2ccccc2O)c[nH+]1 ZINC001206207715 975423934 /nfs/dbraw/zinc/42/39/34/975423934.db2.gz KFPPQPBNFWUWAI-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)co1 ZINC001333156433 975507729 /nfs/dbraw/zinc/50/77/29/975507729.db2.gz JEVUIJFYTMJHQS-KOLCDFICSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)co1 ZINC001333156433 975507747 /nfs/dbraw/zinc/50/77/47/975507747.db2.gz JEVUIJFYTMJHQS-KOLCDFICSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H]3C[C@H]32)co1 ZINC001333156432 975511957 /nfs/dbraw/zinc/51/19/57/975511957.db2.gz JEVUIJFYTMJHQS-GXSJLCMTSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H]3C[C@H]32)co1 ZINC001333156432 975511966 /nfs/dbraw/zinc/51/19/66/975511966.db2.gz JEVUIJFYTMJHQS-GXSJLCMTSA-N 1 2 220.316 2.566 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1 ZINC001173792300 975616312 /nfs/dbraw/zinc/61/63/12/975616312.db2.gz MJKUFOOGRNYJEG-UHFFFAOYSA-N 1 2 200.241 2.834 20 0 BFADLO C[C@@H]([NH2+]Cc1coc(C(C)(C)C)n1)c1cn[nH]c1 ZINC001333325900 975662031 /nfs/dbraw/zinc/66/20/31/975662031.db2.gz DSTHUWGLNWFRAF-SECBINFHSA-N 1 2 248.330 2.546 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2CF)o1 ZINC001333325425 975665965 /nfs/dbraw/zinc/66/59/65/975665965.db2.gz AGZSVXZQTDUOGP-SECBINFHSA-N 1 2 249.289 2.698 20 0 BFADLO Cc1ccc(C(C)C)c(OC2C[NH+](C)C2)c1 ZINC001227943680 975804423 /nfs/dbraw/zinc/80/44/23/975804423.db2.gz LQORRSYLPLEVKK-UHFFFAOYSA-N 1 2 219.328 2.811 20 0 BFADLO Cc1ncc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC001333490695 975813765 /nfs/dbraw/zinc/81/37/65/975813765.db2.gz YWCIRCSDEKBKOG-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nnc[nH]1 ZINC001333581557 975862851 /nfs/dbraw/zinc/86/28/51/975862851.db2.gz GTXJPETWQRBUPG-AWEZNQCLSA-N 1 2 244.342 2.634 20 0 BFADLO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc[nH]1 ZINC001333581557 975862856 /nfs/dbraw/zinc/86/28/56/975862856.db2.gz GTXJPETWQRBUPG-AWEZNQCLSA-N 1 2 244.342 2.634 20 0 BFADLO COc1cc2c(cc1OC1CC=CC1)C=[NH+]CC2 ZINC001228091497 975900521 /nfs/dbraw/zinc/90/05/21/975900521.db2.gz XRXRCRKMBCXYKH-UHFFFAOYSA-N 1 2 243.306 2.768 20 0 BFADLO CCCOc1ccccc1OC1C[NH+](CC)C1 ZINC001228183772 975986974 /nfs/dbraw/zinc/98/69/74/975986974.db2.gz XSGFOZIQYJDWEQ-UHFFFAOYSA-N 1 2 235.327 2.558 20 0 BFADLO COc1ccc(Nc2[nH+]cc(C)cc2C)cn1 ZINC001173958554 976002197 /nfs/dbraw/zinc/00/21/97/976002197.db2.gz KIULTYABLIFUJS-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cc(F)ccc1Nc1[nH+]cccc1CCO ZINC001173968947 976026596 /nfs/dbraw/zinc/02/65/96/976026596.db2.gz ZOTZVGHYIVBANO-UHFFFAOYSA-N 1 2 246.285 2.808 20 0 BFADLO Cc1[nH]c2ccc(OC[C@@H]3CCO[C@@H]3C)cc2[nH+]1 ZINC001228327174 976118336 /nfs/dbraw/zinc/11/83/36/976118336.db2.gz OSZLKZRBEPRUNK-KOLCDFICSA-N 1 2 246.310 2.675 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2CCO)c(C)c1 ZINC001174012974 976180995 /nfs/dbraw/zinc/18/09/95/976180995.db2.gz OFBAEUXQSCKOHX-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccnc1OC ZINC001174041696 976252273 /nfs/dbraw/zinc/25/22/73/976252273.db2.gz WNHHMNFERURWDF-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc[nH+]c(Nc2cnccc2C)c1 ZINC001174116306 976331500 /nfs/dbraw/zinc/33/15/00/976331500.db2.gz YKGHCWPGEUPUBI-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc[nH+]c(Nc2ccc(OC)cc2F)c1 ZINC001174142494 976374822 /nfs/dbraw/zinc/37/48/22/976374822.db2.gz CFCJJORLAVWXMH-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C)nc1 ZINC001174283112 976446827 /nfs/dbraw/zinc/44/68/27/976446827.db2.gz DIMAGQZCEDQLAT-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Fc1cncc(Nc2cccn3cc[nH+]c23)c1 ZINC001174289279 976453505 /nfs/dbraw/zinc/45/35/05/976453505.db2.gz HDPAXMGFZMNNDD-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cn(C)nc1C ZINC001174334365 976550148 /nfs/dbraw/zinc/55/01/48/976550148.db2.gz AYMQMWMPPLDMAQ-UHFFFAOYSA-N 1 2 230.315 2.738 20 0 BFADLO COc1cc[nH+]c(Nc2cccc3n[nH]cc32)c1 ZINC001174342074 976566528 /nfs/dbraw/zinc/56/65/28/976566528.db2.gz DGWUYINMVNLWST-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1cc[nH+]c(Nc2ccnc3[nH]ccc32)c1 ZINC001174408953 976695785 /nfs/dbraw/zinc/69/57/85/976695785.db2.gz BUOSCSPSQVEOFC-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO OCc1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174411742 976701681 /nfs/dbraw/zinc/70/16/81/976701681.db2.gz HFCPQGSMEPNBGC-UHFFFAOYSA-N 1 2 239.278 2.750 20 0 BFADLO CCOc1ncccc1Nc1c[nH+]ccc1OC ZINC001174455207 976728036 /nfs/dbraw/zinc/72/80/36/976728036.db2.gz IWJHPRZPIGIVPD-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc(Nc2ccc(N)cc2F)cc(C)[nH+]1 ZINC001174479825 976799983 /nfs/dbraw/zinc/79/99/83/976799983.db2.gz IEPHNOBLZHCJRQ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1ccc(O)c(F)c1 ZINC001174732402 976974044 /nfs/dbraw/zinc/97/40/44/976974044.db2.gz GVJHRQBYBIGCJN-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO COc1cc(Nc2ccc(O)c(F)c2)cc(C)[nH+]1 ZINC001174732231 976974639 /nfs/dbraw/zinc/97/46/39/976974639.db2.gz XHQGRMNNKASQKI-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Oc1ccc(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001174734897 976978853 /nfs/dbraw/zinc/97/88/53/976978853.db2.gz KZRGDBWJXUHIMC-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO C=CNc1cc[nH+]c2ccc(Br)cc12 ZINC001174779680 976993191 /nfs/dbraw/zinc/99/31/91/976993191.db2.gz GBBJXZOYQHJPGP-UHFFFAOYSA-N 1 2 249.111 2.975 20 0 BFADLO CC(C)OCCOc1ccc(-n2cc[nH+]c2)cc1 ZINC001229951034 977034681 /nfs/dbraw/zinc/03/46/81/977034681.db2.gz OUZOVEKQLXBAJQ-UHFFFAOYSA-N 1 2 246.310 2.676 20 0 BFADLO c1cn(-c2ccc(O[C@H]3C=CCC3)cc2)c[nH+]1 ZINC001229954658 977038538 /nfs/dbraw/zinc/03/85/38/977038538.db2.gz SVXPDXPSMPLOJV-ZDUSSCGKSA-N 1 2 226.279 2.970 20 0 BFADLO c1cn(-c2ccc(O[C@@H]3C=CCC3)cc2)c[nH+]1 ZINC001229954657 977040017 /nfs/dbraw/zinc/04/00/17/977040017.db2.gz SVXPDXPSMPLOJV-CYBMUJFWSA-N 1 2 226.279 2.970 20 0 BFADLO C[NH+]1CC(Oc2ccc3nccc(Cl)c3c2)C1 ZINC001230005833 977059975 /nfs/dbraw/zinc/05/99/75/977059975.db2.gz BELWNCPLLXSHAI-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCOc1cc(Nc2cc(C)nn2C)cc(C)[nH+]1 ZINC001174822303 977078563 /nfs/dbraw/zinc/07/85/63/977078563.db2.gz PTEHWPPXDAJTLS-UHFFFAOYSA-N 1 2 246.314 2.574 20 0 BFADLO Cc1ccc(Nc2cccc(O)c2)[nH+]c1 ZINC001174886726 977114373 /nfs/dbraw/zinc/11/43/73/977114373.db2.gz BFTGNGPOBTZSLO-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc(O)c1 ZINC001174887474 977119808 /nfs/dbraw/zinc/11/98/08/977119808.db2.gz TVAKLAQQJGRQFJ-UHFFFAOYSA-N 1 2 216.240 2.545 20 0 BFADLO Oc1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001174888631 977121676 /nfs/dbraw/zinc/12/16/76/977121676.db2.gz VDWDCKVTQMHABW-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO C[NH+]1CC(Oc2cccc3sccc32)C1 ZINC001230207124 977123482 /nfs/dbraw/zinc/12/34/82/977123482.db2.gz DFBIQLDUSQTQEV-UHFFFAOYSA-N 1 2 219.309 2.594 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(N(C)C)cc1 ZINC001174876979 977141923 /nfs/dbraw/zinc/14/19/23/977141923.db2.gz BCVJEIHIODWVOQ-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(O)cc2C)cc1N ZINC001174929071 977145410 /nfs/dbraw/zinc/14/54/10/977145410.db2.gz CWDKGDMXKNASKB-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1ccc(Nc2cccn3cc[nH+]c23)cc1N ZINC001174932851 977169937 /nfs/dbraw/zinc/16/99/37/977169937.db2.gz HDLCGYQVBCOZAP-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(O)cc1 ZINC001175039795 977229323 /nfs/dbraw/zinc/22/93/23/977229323.db2.gz VPOGDNPNBRJDOE-UHFFFAOYSA-N 1 2 216.240 2.545 20 0 BFADLO CCN(C)c1ccc(Nc2ccc(O)cc2)c[nH+]1 ZINC001175043363 977237038 /nfs/dbraw/zinc/23/70/38/977237038.db2.gz MPILHZWEZUSLPF-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1ccncc1F ZINC001175198564 977303024 /nfs/dbraw/zinc/30/30/24/977303024.db2.gz MXCNEYVIKHAFDJ-UHFFFAOYSA-N 1 2 231.274 2.652 20 0 BFADLO CC(=O)c1ccccc1Nc1[nH+]cc(C)cc1N ZINC001175175513 977325242 /nfs/dbraw/zinc/32/52/42/977325242.db2.gz XTYCFDIJNVECOX-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO CN(C)c1ccc(Nc2cccc(F)c2O)c[nH+]1 ZINC001175344081 977364522 /nfs/dbraw/zinc/36/45/22/977364522.db2.gz SKFVJDZRKKBOTG-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Cc1cccc(Nc2ccc(N(C)C)[nH+]c2)c1O ZINC001175342516 977367137 /nfs/dbraw/zinc/36/71/37/977367137.db2.gz RROXQGCDFWBNDN-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1cccc(Nc2ccc(N(C)C)nc2)[nH+]1 ZINC001175337274 977382846 /nfs/dbraw/zinc/38/28/46/977382846.db2.gz AGBRBPUMTUQVGF-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO C[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C1CCC1 ZINC001230920485 977384343 /nfs/dbraw/zinc/38/43/43/977384343.db2.gz NXATXKPRUWYEJD-JTQLQIEISA-N 1 2 245.322 2.935 20 0 BFADLO Oc1cc2c(cc1O[C@@H]1C[C@H]3C[C@H]3C1)CC[NH+]=C2 ZINC001230920796 977385117 /nfs/dbraw/zinc/38/51/17/977385117.db2.gz UMMMNZONDMIZRY-PTEHBNRSSA-N 1 2 243.306 2.545 20 0 BFADLO Cc1cc(C)c(Nc2ccc(N(C)C)nc2)c[nH+]1 ZINC001175341133 977385808 /nfs/dbraw/zinc/38/58/08/977385808.db2.gz PLOHTLJEOCIEGN-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CN(C)c1ccc(Nc2cncc(Cl)c2)c[nH+]1 ZINC001175339123 977388120 /nfs/dbraw/zinc/38/81/20/977388120.db2.gz XBOCWSJJGOAKIU-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO Cc1c2c[nH]nc2ccc1Nc1[nH+]cccc1N ZINC001175465850 977435258 /nfs/dbraw/zinc/43/52/58/977435258.db2.gz GILPEGBXICSYGZ-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO CCO[C@H](C)COc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081899 977467838 /nfs/dbraw/zinc/46/78/38/977467838.db2.gz PJLDHRGATYZGIZ-LLVKDONJSA-N 1 2 246.310 2.881 20 0 BFADLO CCc1ccc[nH+]c1Nc1cccc(CO)c1 ZINC001175510570 977489919 /nfs/dbraw/zinc/48/99/19/977489919.db2.gz RCVMRWISHYBPTK-UHFFFAOYSA-N 1 2 228.295 2.880 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)cc2c[nH]nc21 ZINC001175515805 977497135 /nfs/dbraw/zinc/49/71/35/977497135.db2.gz CQHGXEQPVTXZSD-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO CCCn1nc(C)cc1Nc1[nH+]cc(C)cc1N ZINC001175798703 977693765 /nfs/dbraw/zinc/69/37/65/977693765.db2.gz QKBDOPATPGCPKZ-UHFFFAOYSA-N 1 2 245.330 2.631 20 0 BFADLO CC[C@H]1CN(c2cc(F)cc(C)[nH+]2)C[C@@H](C)O1 ZINC001336515988 977741857 /nfs/dbraw/zinc/74/18/57/977741857.db2.gz HPVWDTYZCAVBPL-PWSUYJOCSA-N 1 2 238.306 2.533 20 0 BFADLO COC1C[NH+](Cc2ccc(OC(C)(C)C)cc2)C1 ZINC001231803834 977758230 /nfs/dbraw/zinc/75/82/30/977758230.db2.gz JPXBBPAIFQRUDD-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO Fc1ccc(Nc2cccc3[nH+]ccn32)nc1 ZINC001175846722 977763897 /nfs/dbraw/zinc/76/38/97/977763897.db2.gz OKELJODXXAZRGS-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnc(C(F)F)c1 ZINC001231886810 977787687 /nfs/dbraw/zinc/78/76/87/977787687.db2.gz HWNVXYBLPHQWHN-SCZZXKLOSA-N 1 2 244.260 2.952 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnc(C(F)F)c1 ZINC001231886810 977787697 /nfs/dbraw/zinc/78/76/97/977787697.db2.gz HWNVXYBLPHQWHN-SCZZXKLOSA-N 1 2 244.260 2.952 20 0 BFADLO COc1cc(Nc2ccc(F)cn2)cc(C)[nH+]1 ZINC001175852105 977789051 /nfs/dbraw/zinc/78/90/51/977789051.db2.gz VOFNNQHRYLRTEB-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO c1cn2cccc(Nc3cnn(C4CC4)c3)c2[nH+]1 ZINC001175956434 977819299 /nfs/dbraw/zinc/81/92/99/977819299.db2.gz CGSIZMCPBSNSTC-UHFFFAOYSA-N 1 2 239.282 2.609 20 0 BFADLO Cc1ccc(C)c(Nc2ccc3[nH]nnc3c2)[nH+]1 ZINC001175998266 977853853 /nfs/dbraw/zinc/85/38/53/977853853.db2.gz HDYXOEOZCKIDFZ-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO COc1cc[nH+]cc1Nc1cccs1 ZINC001176116397 977945157 /nfs/dbraw/zinc/94/51/57/977945157.db2.gz BLYAFRRJQXIRDG-UHFFFAOYSA-N 1 2 206.270 2.895 20 0 BFADLO COc1cc[nH+]cc1Nc1cnn(C(C)(C)C)c1 ZINC001176116426 977945745 /nfs/dbraw/zinc/94/57/45/977945745.db2.gz CTVUPEQJNWUSBQ-UHFFFAOYSA-N 1 2 246.314 2.785 20 0 BFADLO COc1cc[nH+]cc1Nc1ncccc1Cl ZINC001176117872 977947567 /nfs/dbraw/zinc/94/75/67/977947567.db2.gz AXZNEHPAJGNHFK-UHFFFAOYSA-N 1 2 235.674 2.882 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(C)ccc1C ZINC001176118621 977948882 /nfs/dbraw/zinc/94/88/82/977948882.db2.gz OEWVZMXWTRLTQD-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCN(c1ccccc1N)c1c[nH+]ccc1OC ZINC001176121162 977949583 /nfs/dbraw/zinc/94/95/83/977949583.db2.gz QYHLXFKPUDXNDV-UHFFFAOYSA-N 1 2 243.310 2.830 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2c1COC2 ZINC001176124171 977956433 /nfs/dbraw/zinc/95/64/33/977956433.db2.gz KCTSATSYLRJLES-UHFFFAOYSA-N 1 2 242.278 2.864 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(CO)c1C ZINC001176123424 977957549 /nfs/dbraw/zinc/95/75/49/977957549.db2.gz SWNOYYIVMJQEIT-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2c1CCO2 ZINC001176123121 977957651 /nfs/dbraw/zinc/95/76/51/977957651.db2.gz NLDMBGBYRRRWNU-UHFFFAOYSA-N 1 2 242.278 2.769 20 0 BFADLO CCOc1cc(Nc2ccc(=O)[nH]c2)cc(C)[nH+]1 ZINC001176126672 977961127 /nfs/dbraw/zinc/96/11/27/977961127.db2.gz LOPOJRSSDLEHSM-UHFFFAOYSA-N 1 2 245.282 2.633 20 0 BFADLO Cc1noc(C)c1-n1c(C)[nH+]c2ccc(N)cc21 ZINC001176179777 977985582 /nfs/dbraw/zinc/98/55/82/977985582.db2.gz PKZALHHYPPFHLQ-UHFFFAOYSA-N 1 2 242.282 2.521 20 0 BFADLO CC(C)(C)[C@H]1CCN(c2cccc[nH+]2)CCO1 ZINC001336829023 977990976 /nfs/dbraw/zinc/99/09/76/977990976.db2.gz IZRQOJDYVBVEAT-GFCCVEGCSA-N 1 2 234.343 2.723 20 0 BFADLO Cc1nc(N[C@H]2CCOCC23CCCC3)cc[nH+]1 ZINC001336868726 978011376 /nfs/dbraw/zinc/01/13/76/978011376.db2.gz QKUUSYGCORNEHU-LBPRGKRZSA-N 1 2 247.342 2.546 20 0 BFADLO Cc1nc(NCC(C)(C)C2=CCOCC2)cc[nH+]1 ZINC001336884803 978026112 /nfs/dbraw/zinc/02/61/12/978026112.db2.gz CTLSYOOOWXEHCS-UHFFFAOYSA-N 1 2 247.342 2.570 20 0 BFADLO Cc1cccc(C[NH+]2CCOCC2)c1OC(C)C ZINC001232390413 978052139 /nfs/dbraw/zinc/05/21/39/978052139.db2.gz UVQCZGOULAFYEQ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccc(C)o2)C2CC2)[nH]n1 ZINC001336942559 978075213 /nfs/dbraw/zinc/07/52/13/978075213.db2.gz DUVINHIKADNFOZ-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccc(C)o2)C2CC2)[nH]n1 ZINC001336942559 978075222 /nfs/dbraw/zinc/07/52/22/978075222.db2.gz DUVINHIKADNFOZ-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3[C@H]2C)c[nH]1 ZINC001232458959 978083091 /nfs/dbraw/zinc/08/30/91/978083091.db2.gz XVWFEVCLXPAAGX-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3[C@H]2C)c[nH]1 ZINC001232458959 978083108 /nfs/dbraw/zinc/08/31/08/978083108.db2.gz XVWFEVCLXPAAGX-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO CCc1csc(C[N@H+](C)C2CC(F)(F)C2)n1 ZINC001232468661 978120631 /nfs/dbraw/zinc/12/06/31/978120631.db2.gz CVAZFGIMKLMFRR-UHFFFAOYSA-N 1 2 246.326 2.935 20 0 BFADLO CCc1csc(C[N@@H+](C)C2CC(F)(F)C2)n1 ZINC001232468661 978120634 /nfs/dbraw/zinc/12/06/34/978120634.db2.gz CVAZFGIMKLMFRR-UHFFFAOYSA-N 1 2 246.326 2.935 20 0 BFADLO Cc1cccc(F)c1C[N@H+](C)Cc1ccno1 ZINC001232484341 978135996 /nfs/dbraw/zinc/13/59/96/978135996.db2.gz BBLLHRQFGCLARB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cccc(F)c1C[N@@H+](C)Cc1ccno1 ZINC001232484341 978136001 /nfs/dbraw/zinc/13/60/01/978136001.db2.gz BBLLHRQFGCLARB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Fc1ccnc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001232489565 978138887 /nfs/dbraw/zinc/13/88/87/978138887.db2.gz AFDCBBYPIOAFHY-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccnc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001232489565 978138892 /nfs/dbraw/zinc/13/88/92/978138892.db2.gz AFDCBBYPIOAFHY-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccnc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC001232489752 978140538 /nfs/dbraw/zinc/14/05/38/978140538.db2.gz FLSUEQVERJETAT-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccnc(C[N@H+]2CCc3ccccc3C2)c1 ZINC001232489752 978140540 /nfs/dbraw/zinc/14/05/40/978140540.db2.gz FLSUEQVERJETAT-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO C[C@@]1(F)CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001232491064 978144697 /nfs/dbraw/zinc/14/46/97/978144697.db2.gz RYPYFWSPKPWRJV-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@@]1(F)CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001232491064 978144706 /nfs/dbraw/zinc/14/47/06/978144706.db2.gz RYPYFWSPKPWRJV-CYBMUJFWSA-N 1 2 240.297 2.935 20 0 BFADLO CC[N@H+](Cc1ccccn1)Cc1cc(F)ccn1 ZINC001232493740 978148397 /nfs/dbraw/zinc/14/83/97/978148397.db2.gz BNKHGUIFYVLPLC-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccccn1)Cc1cc(F)ccn1 ZINC001232493740 978148403 /nfs/dbraw/zinc/14/84/03/978148403.db2.gz BNKHGUIFYVLPLC-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Cc1ncccc1C[N@H+](C)Cc1cc(F)ccn1 ZINC001232500203 978151348 /nfs/dbraw/zinc/15/13/48/978151348.db2.gz ZFAVWUYOLVXCJK-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncccc1C[N@@H+](C)Cc1cc(F)ccn1 ZINC001232500203 978151357 /nfs/dbraw/zinc/15/13/57/978151357.db2.gz ZFAVWUYOLVXCJK-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO COc1cc(Cl)ccc1C[N@H+](C)CCF ZINC001232500078 978154901 /nfs/dbraw/zinc/15/49/01/978154901.db2.gz FCASKOAJQBQUET-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO COc1cc(Cl)ccc1C[N@@H+](C)CCF ZINC001232500078 978154904 /nfs/dbraw/zinc/15/49/04/978154904.db2.gz FCASKOAJQBQUET-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO Cc1conc1Nc1ccc[nH+]c1N1CCCC1 ZINC001176743808 978169820 /nfs/dbraw/zinc/16/98/20/978169820.db2.gz NINWXZYUCZEUHD-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO F[C@@H]1C[N@H+](Cc2cc3ccoc3cn2)C[C@@H]2C[C@@H]21 ZINC001232551135 978175535 /nfs/dbraw/zinc/17/55/35/978175535.db2.gz FWXMOYKSCCBLEF-WCFLWFBJSA-N 1 2 246.285 2.618 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2cc3ccoc3cn2)C[C@@H]2C[C@@H]21 ZINC001232551135 978175541 /nfs/dbraw/zinc/17/55/41/978175541.db2.gz FWXMOYKSCCBLEF-WCFLWFBJSA-N 1 2 246.285 2.618 20 0 BFADLO CCN(CCSC)c1cc(F)cc(C)[nH+]1 ZINC001337203425 978213063 /nfs/dbraw/zinc/21/30/63/978213063.db2.gz SHAYXDBFGJHSRX-UHFFFAOYSA-N 1 2 228.336 2.718 20 0 BFADLO CNc1ccccc1C[N@@H+]1Cc2cccnc2C1 ZINC001232667473 978223527 /nfs/dbraw/zinc/22/35/27/978223527.db2.gz XWYXRECQZOZCMG-UHFFFAOYSA-N 1 2 239.322 2.639 20 0 BFADLO CNc1ccccc1C[N@H+]1Cc2cccnc2C1 ZINC001232667473 978223533 /nfs/dbraw/zinc/22/35/33/978223533.db2.gz XWYXRECQZOZCMG-UHFFFAOYSA-N 1 2 239.322 2.639 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968207 978365746 /nfs/dbraw/zinc/36/57/46/978365746.db2.gz FQZWWIUFWRDRQR-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968207 978365755 /nfs/dbraw/zinc/36/57/55/978365755.db2.gz FQZWWIUFWRDRQR-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CC12CCCC2 ZINC001337508342 978380535 /nfs/dbraw/zinc/38/05/35/978380535.db2.gz BAQBXBPFQGTDSF-GFCCVEGCSA-N 1 2 244.338 2.639 20 0 BFADLO CC[N@H+](Cc1cc(Cl)ncc1O)C(C)C ZINC001233033876 978421384 /nfs/dbraw/zinc/42/13/84/978421384.db2.gz VVQMEJBELAYUGF-UHFFFAOYSA-N 1 2 228.723 2.671 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001337639377 978439452 /nfs/dbraw/zinc/43/94/52/978439452.db2.gz JBVYNRKKISSNQV-MJHDQNEOSA-N 1 2 246.354 2.885 20 0 BFADLO C[NH+](C)Cc1ccnc(Cl)c1Br ZINC001233177781 978485287 /nfs/dbraw/zinc/48/52/87/978485287.db2.gz MTHBOFUIBVLLGZ-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@@H](F)C2)[nH+]1 ZINC001337818707 978511201 /nfs/dbraw/zinc/51/12/01/978511201.db2.gz DMDSDGBIFDDDLJ-KCJUWKMLSA-N 1 2 226.270 2.713 20 0 BFADLO CCc1ccc(N2CCOCC3(CCC3)C2)[nH+]c1 ZINC001337831944 978517831 /nfs/dbraw/zinc/51/78/31/978517831.db2.gz NNCZEFFUUWBEBQ-UHFFFAOYSA-N 1 2 246.354 2.651 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@H]1C1CC1 ZINC001337836877 978519452 /nfs/dbraw/zinc/51/94/52/978519452.db2.gz KRTSAKXBZHNQCK-LLVKDONJSA-N 1 2 206.264 2.600 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3cccc(C)c3C2)o1 ZINC001233364925 978571778 /nfs/dbraw/zinc/57/17/78/978571778.db2.gz LZAACZVAFTVSKE-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3cccc(C)c3C2)o1 ZINC001233364925 978571783 /nfs/dbraw/zinc/57/17/83/978571783.db2.gz LZAACZVAFTVSKE-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233356519 978572119 /nfs/dbraw/zinc/57/21/19/978572119.db2.gz ONCZQRHAZYWUHA-SECBINFHSA-N 1 2 235.718 2.582 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cnc2cccc(Cl)n12 ZINC001233356519 978572121 /nfs/dbraw/zinc/57/21/21/978572121.db2.gz ONCZQRHAZYWUHA-SECBINFHSA-N 1 2 235.718 2.582 20 0 BFADLO C/C=C(C)/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001178507618 978575645 /nfs/dbraw/zinc/57/56/45/978575645.db2.gz MUXKMLDBLDJACN-SOZMTEBASA-N 1 2 241.294 2.795 20 0 BFADLO Nc1cc(F)c(F)cc1C[NH+]1CC2(CCC2)C1 ZINC001233378786 978591548 /nfs/dbraw/zinc/59/15/48/978591548.db2.gz GKVJRSLOIQNJLM-UHFFFAOYSA-N 1 2 238.281 2.533 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1F ZINC001233396860 978599596 /nfs/dbraw/zinc/59/95/96/978599596.db2.gz ZWMYVEOBDOWZIW-GZMMTYOYSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1F ZINC001233396860 978599602 /nfs/dbraw/zinc/59/96/02/978599602.db2.gz ZWMYVEOBDOWZIW-GZMMTYOYSA-N 1 2 239.265 2.655 20 0 BFADLO C[NH+](C)Cc1cc(Br)ncc1Cl ZINC001233425468 978600580 /nfs/dbraw/zinc/60/05/80/978600580.db2.gz ZRGCVALWDLTXQI-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)cc(C)n1 ZINC001178860356 978639288 /nfs/dbraw/zinc/63/92/88/978639288.db2.gz ZQBINKHFZASDOC-GFCCVEGCSA-N 1 2 240.297 2.976 20 0 BFADLO CCC(C)=C(C)C(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001179091699 978667968 /nfs/dbraw/zinc/66/79/68/978667968.db2.gz AKEHYVIYNWTJNW-KHPPLWFESA-N 1 2 249.358 2.896 20 0 BFADLO CC/C(C)=C(/C)C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001179091699 978667972 /nfs/dbraw/zinc/66/79/72/978667972.db2.gz AKEHYVIYNWTJNW-KHPPLWFESA-N 1 2 249.358 2.896 20 0 BFADLO Cc1ccc(CC(=O)C(C)(C)C)c(C)[nH+]1 ZINC001249918847 978669828 /nfs/dbraw/zinc/66/98/28/978669828.db2.gz JXEIVLPXHQZWHA-UHFFFAOYSA-N 1 2 205.301 2.856 20 0 BFADLO Cc1cc(F)cc(N(C)C[C@H]2CCCCO2)[nH+]1 ZINC001339544358 978867749 /nfs/dbraw/zinc/86/77/49/978867749.db2.gz KYSHXOVDPHMTSZ-GFCCVEGCSA-N 1 2 238.306 2.534 20 0 BFADLO Nc1cc(N2CCCC3(CCCCC3)C2)[nH+]cn1 ZINC001339578849 978874308 /nfs/dbraw/zinc/87/43/08/978874308.db2.gz NCOXCFAPORCJLD-UHFFFAOYSA-N 1 2 246.358 2.610 20 0 BFADLO CCOC(=O)CCCc1ccc(C)[nH+]c1C ZINC001249973796 978888459 /nfs/dbraw/zinc/88/84/59/978888459.db2.gz AWRPYQOLZCLHMC-UHFFFAOYSA-N 1 2 221.300 2.584 20 0 BFADLO Cc1cnc(F)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001235328749 979025889 /nfs/dbraw/zinc/02/58/89/979025889.db2.gz NSOVOOHXKGOYIG-UHFFFAOYSA-N 1 2 220.291 2.515 20 0 BFADLO COc1cc(C[NH+]2CC(C)(C)C2)cc(F)c1F ZINC001235431597 979046799 /nfs/dbraw/zinc/04/67/99/979046799.db2.gz FYTHZCRXRWCKRG-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCc1cnc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001203368042 979282424 /nfs/dbraw/zinc/28/24/24/979282424.db2.gz TTZJTWASOUWXGY-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1ccc(Nc2cnncc2Cl)c(C)[nH+]1 ZINC001203370652 979474195 /nfs/dbraw/zinc/47/41/95/979474195.db2.gz RKUSKYXGOARBLE-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Nc1ccc(-c2ccc(-c3ccno3)cc2)c[nH+]1 ZINC001236313034 979521020 /nfs/dbraw/zinc/52/10/20/979521020.db2.gz FZAIGANKSXCQSK-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Cc1c(F)cc(-c2ccc(N)[nH+]c2)cc1F ZINC001236312995 979521911 /nfs/dbraw/zinc/52/19/11/979521911.db2.gz FRRKXLAJXOXNBS-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO COc1ccc(C)c(-c2ccc(N)[nH+]c2)c1 ZINC001236312998 979522212 /nfs/dbraw/zinc/52/22/12/979522212.db2.gz GAZPBLVYQGABLG-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CCOc1ccc(-c2ccc(N)[nH+]c2)cc1OC ZINC001236315765 979528776 /nfs/dbraw/zinc/52/87/76/979528776.db2.gz HLCGWOWMZXLBHF-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO COCc1ccc(-c2ccc(N)[nH+]c2)c(C)c1 ZINC001236315625 979529004 /nfs/dbraw/zinc/52/90/04/979529004.db2.gz BLAQQTPYWREIFU-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Fc1cnccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001182624909 979568019 /nfs/dbraw/zinc/56/80/19/979568019.db2.gz IWFCLHMUDIXDMF-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO CC[C@@H](CO)Nc1cc(C)c2ccccc2[nH+]1 ZINC000072112151 979594761 /nfs/dbraw/zinc/59/47/61/979594761.db2.gz GSVYIAKQFDFCBO-NSHDSACASA-N 1 2 230.311 2.726 20 0 BFADLO Cc1ccc(-c2ccc(C)c(N)[nH+]2)c2c[nH]nc21 ZINC001236485596 979609414 /nfs/dbraw/zinc/60/94/14/979609414.db2.gz QSYSHFGXLVMCFI-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccnc(OC(C)C)c1 ZINC001236564131 979635773 /nfs/dbraw/zinc/63/57/73/979635773.db2.gz LSRXARIJSKDJMT-CNAFAHAUSA-N 1 2 218.300 2.745 20 0 BFADLO CCOC1C[NH+](Cc2c(C)cc(F)cc2C)C1 ZINC001237316623 979863160 /nfs/dbraw/zinc/86/31/60/979863160.db2.gz FYTJUSYAOKLOQO-UHFFFAOYSA-N 1 2 237.318 2.663 20 0 BFADLO COc1ccc(C)cc1C[N@H+](C)Cc1ccno1 ZINC000072803634 979864899 /nfs/dbraw/zinc/86/48/99/979864899.db2.gz HCZZBFWLOGEAQB-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C)cc1C[N@@H+](C)Cc1ccno1 ZINC000072803634 979864904 /nfs/dbraw/zinc/86/49/04/979864904.db2.gz HCZZBFWLOGEAQB-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC001237635648 979980390 /nfs/dbraw/zinc/98/03/90/979980390.db2.gz QQQBLTQJUVLCJP-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC001237635648 979980402 /nfs/dbraw/zinc/98/04/02/979980402.db2.gz QQQBLTQJUVLCJP-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1coc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)n1 ZINC001237636263 979988159 /nfs/dbraw/zinc/98/81/59/979988159.db2.gz WUDQCUBOQIGBTA-SECBINFHSA-N 1 2 248.248 2.552 20 0 BFADLO Cc1coc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)n1 ZINC001237636263 979988163 /nfs/dbraw/zinc/98/81/63/979988163.db2.gz WUDQCUBOQIGBTA-SECBINFHSA-N 1 2 248.248 2.552 20 0 BFADLO COC1(C)C[NH+](Cc2cccc(Cl)c2C)C1 ZINC001237728288 980039791 /nfs/dbraw/zinc/03/97/91/980039791.db2.gz IAMJUGZFUAXNPF-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CCc1ncc(C[N@@H+]2CCc3occc3C2)s1 ZINC001237827975 980072625 /nfs/dbraw/zinc/07/26/25/980072625.db2.gz GKPAFUDWEUIWHD-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1ncc(C[N@H+]2CCc3occc3C2)s1 ZINC001237827975 980072636 /nfs/dbraw/zinc/07/26/36/980072636.db2.gz GKPAFUDWEUIWHD-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO C=C(C)CN(CC)c1cc(N)cc(Cl)[nH+]1 ZINC000153603167 980096328 /nfs/dbraw/zinc/09/63/28/980096328.db2.gz LKNWELOXWOXVLW-UHFFFAOYSA-N 1 2 225.723 2.720 20 0 BFADLO CCCCNc1cc(CC)[nH+]c(CC)n1 ZINC001184616827 980113351 /nfs/dbraw/zinc/11/33/51/980113351.db2.gz AFCJMTVLIVZGHR-UHFFFAOYSA-N 1 2 207.321 2.813 20 0 BFADLO COc1c(C)c[nH+]c(CN2CCC[C@H]3C[C@H]32)c1C ZINC001238175812 980206272 /nfs/dbraw/zinc/20/62/72/980206272.db2.gz BBJLGCVROJESPF-GXTWGEPZSA-N 1 2 246.354 2.691 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1cncc(C2CC2)c1 ZINC001238190582 980217566 /nfs/dbraw/zinc/21/75/66/980217566.db2.gz SHNWAAQOJNHVSA-UHFFFAOYSA-N 1 2 246.354 2.570 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1cncc(C2CC2)c1 ZINC001238190582 980217573 /nfs/dbraw/zinc/21/75/73/980217573.db2.gz SHNWAAQOJNHVSA-UHFFFAOYSA-N 1 2 246.354 2.570 20 0 BFADLO CCc1cc(N2CC[C@@H](C)[C@H]2C)nc(CC)[nH+]1 ZINC001185659401 980265072 /nfs/dbraw/zinc/26/50/72/980265072.db2.gz WYTZYAAQGUMQKQ-GHMZBOCLSA-N 1 2 233.359 2.836 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001238759768 980316255 /nfs/dbraw/zinc/31/62/55/980316255.db2.gz NUGWJCPDUQRDNE-ZDUSSCGKSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC001238759768 980316261 /nfs/dbraw/zinc/31/62/61/980316261.db2.gz NUGWJCPDUQRDNE-ZDUSSCGKSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+](C)CCF ZINC001238774997 980323421 /nfs/dbraw/zinc/32/34/21/980323421.db2.gz XBINSOKHUWJXEE-UHFFFAOYSA-N 1 2 225.307 2.713 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+](C)CCF ZINC001238774997 980323430 /nfs/dbraw/zinc/32/34/30/980323430.db2.gz XBINSOKHUWJXEE-UHFFFAOYSA-N 1 2 225.307 2.713 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(C2CC2)nc1 ZINC001238854024 980345267 /nfs/dbraw/zinc/34/52/67/980345267.db2.gz TYXRGWSJFJCFBI-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO CC(C)(COC(=O)[C@]1(C)C=CCC1)n1cc[nH+]c1 ZINC001344109399 980348022 /nfs/dbraw/zinc/34/80/22/980348022.db2.gz KAGMVRDQBRKIMB-CQSZACIVSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1c(-c2cnn(C(F)F)c2)ccc2[nH+]ccn21 ZINC001238868761 980355216 /nfs/dbraw/zinc/35/52/16/980355216.db2.gz FWIWJGKHBYWVGW-UHFFFAOYSA-N 1 2 248.236 2.901 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(OC(C)C)cnc1F ZINC001238893695 980361978 /nfs/dbraw/zinc/36/19/78/980361978.db2.gz WEGJHPWSVPQIIS-GQYICFGZSA-N 1 2 236.290 2.884 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(=O)[nH]c2)c1 ZINC001203654046 980475952 /nfs/dbraw/zinc/47/59/52/980475952.db2.gz BOYCYDCZPOKZPY-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCn1cc(Nc2cc(C)c[nH+]c2C)cn1 ZINC001203655172 980486497 /nfs/dbraw/zinc/48/64/97/980486497.db2.gz XJSFOASNDUDWJG-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCc1cc(NC/C=C\Cl)nc(CC)[nH+]1 ZINC001187824596 980553838 /nfs/dbraw/zinc/55/38/38/980553838.db2.gz UTLJPBHBJFORMU-WAYWQWQTSA-N 1 2 225.723 2.766 20 0 BFADLO Fc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1 ZINC001239477813 980617533 /nfs/dbraw/zinc/61/75/33/980617533.db2.gz KZLYFGUAVQLQJD-UHFFFAOYSA-N 1 2 228.270 2.889 20 0 BFADLO COc1ccc(-c2nc3c(ccn3C)c[nH+]2)cc1 ZINC001239482918 980631158 /nfs/dbraw/zinc/63/11/58/980631158.db2.gz SIVQCIBRQBVIML-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO COc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1 ZINC001239484866 980632819 /nfs/dbraw/zinc/63/28/19/980632819.db2.gz XPPLWFDMVVTMHE-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001345610142 980646784 /nfs/dbraw/zinc/64/67/84/980646784.db2.gz RAKQXLMOWWVELB-FZMZJTMJSA-N 1 2 248.326 2.527 20 0 BFADLO Cc1ccccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001239502386 980666175 /nfs/dbraw/zinc/66/61/75/980666175.db2.gz NIEQWQPACLSDPA-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO COC(=O)[C@H]([NH3+])c1ccc(-c2ccsc2)cc1 ZINC001239510903 980681573 /nfs/dbraw/zinc/68/15/73/980681573.db2.gz DQKKPGUJLRKQIM-GFCCVEGCSA-N 1 2 247.319 2.588 20 0 BFADLO Oc1ccc([NH2+]CCCc2ccncc2)cc1 ZINC000076276798 980699155 /nfs/dbraw/zinc/69/91/55/980699155.db2.gz JZBJOVWPBPFEPS-UHFFFAOYSA-N 1 2 228.295 2.832 20 0 BFADLO Fc1cccc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001239537094 980714294 /nfs/dbraw/zinc/71/42/94/980714294.db2.gz LJAPVGFBOMCYFX-UHFFFAOYSA-N 1 2 228.270 2.889 20 0 BFADLO Cc1ccc2c(CCn3cc[nH+]c3)cccc2n1 ZINC001250318688 980758884 /nfs/dbraw/zinc/75/88/84/980758884.db2.gz KTWYLSMYTOMGCQ-UHFFFAOYSA-N 1 2 237.306 2.982 20 0 BFADLO Cc1ccc2[nH]c(CCn3cc[nH+]c3)cc2c1 ZINC001250319498 980764679 /nfs/dbraw/zinc/76/46/79/980764679.db2.gz FVVSWHBAKIAODI-UHFFFAOYSA-N 1 2 225.295 2.916 20 0 BFADLO c1cn(CCc2ccc3cccnc3c2)c[nH+]1 ZINC001250319380 980764688 /nfs/dbraw/zinc/76/46/88/980764688.db2.gz QESLQNXSXNLEFP-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO COc1ccc(-c2ccc(C)c(N)[nH+]2)cc1OC ZINC001239614024 980811641 /nfs/dbraw/zinc/81/16/41/980811641.db2.gz BUGFHGHKJLKWJF-UHFFFAOYSA-N 1 2 244.294 2.656 20 0 BFADLO C/C=C(/C)COC(=O)C[N@H+](C)Cc1ccccc1 ZINC001346337392 980813079 /nfs/dbraw/zinc/81/30/79/980813079.db2.gz CRGBOWUHSASSFO-PQMHYQBVSA-N 1 2 247.338 2.628 20 0 BFADLO C/C=C(/C)COC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001346337392 980813083 /nfs/dbraw/zinc/81/30/83/980813083.db2.gz CRGBOWUHSASSFO-PQMHYQBVSA-N 1 2 247.338 2.628 20 0 BFADLO CC(=O)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001239635763 980823689 /nfs/dbraw/zinc/82/36/89/980823689.db2.gz VZPNCHUMNWUULL-UHFFFAOYSA-N 1 2 212.252 2.533 20 0 BFADLO CCc1cn(Cc2cccc(OC)c2C)c[nH+]1 ZINC001190105029 980848010 /nfs/dbraw/zinc/84/80/10/980848010.db2.gz YKGPVNAZXKYJNQ-UHFFFAOYSA-N 1 2 230.311 2.811 20 0 BFADLO CC/C(C)=C/C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001346607661 980868837 /nfs/dbraw/zinc/86/88/37/980868837.db2.gz BFGWTUHLKQTSAZ-DHZHZOJOSA-N 1 2 236.315 2.518 20 0 BFADLO COc1ccc(-c2cc(C)cn3cc[nH+]c23)cn1 ZINC001239725846 980879259 /nfs/dbraw/zinc/87/92/59/980879259.db2.gz VPTZJWSRXCLEGI-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1ncccc1-c1ccc2[nH+]c(C)cn2c1 ZINC001239856196 980996238 /nfs/dbraw/zinc/99/62/38/980996238.db2.gz SYHNLGZEEOHXII-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1ccc(OC)c(/C(C)=C/C=C/[NH3+])c1OC ZINC001239878983 981014977 /nfs/dbraw/zinc/01/49/77/981014977.db2.gz ZGUSYQHCYUGSMN-NXZHAISVSA-N 1 2 249.310 2.588 20 0 BFADLO Cc1cnc(C)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001239907914 981031337 /nfs/dbraw/zinc/03/13/37/981031337.db2.gz UGJJBXWCDBFCND-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO COc1cncc(-c2cc(C)c3[nH+]ccn3c2)c1 ZINC001239929609 981041266 /nfs/dbraw/zinc/04/12/66/981041266.db2.gz NPHGTAUGMYLTCX-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1ccc(F)c(/C(C)=C/C=C/[NH3+])c1 ZINC001240117569 981114303 /nfs/dbraw/zinc/11/43/03/981114303.db2.gz XZMHTNHRVFCTPQ-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO c1cn2cc(-c3cccc4c3OCO4)ccc2[nH+]1 ZINC001240217704 981166887 /nfs/dbraw/zinc/16/68/87/981166887.db2.gz MPTJOSVJVPZMMU-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO c1cn2cc(-c3ccc4[nH+]ccn4c3)ccc2n1 ZINC001240218064 981167770 /nfs/dbraw/zinc/16/77/70/981167770.db2.gz YWSZGFNDXSJBNN-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO c1cn2cc(-c3cnc4ncoc4c3)ccc2[nH+]1 ZINC001240219763 981169680 /nfs/dbraw/zinc/16/96/80/981169680.db2.gz UUHSMTOBFPZWGA-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO CCc1ccc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240219720 981171227 /nfs/dbraw/zinc/17/12/27/981171227.db2.gz SPEGZIQQLRSZML-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO c1cn2cc(-c3cnc4ocnc4c3)ccc2[nH+]1 ZINC001240219131 981171784 /nfs/dbraw/zinc/17/17/84/981171784.db2.gz BAOZRDZLMRBJQQ-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO Cc1c(-c2ccc3nccn3c2)ccc2[nH+]ccn21 ZINC001240220589 981173341 /nfs/dbraw/zinc/17/33/41/981173341.db2.gz IUMVMYPFBVVGST-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)nc1C ZINC001240222070 981175614 /nfs/dbraw/zinc/17/56/14/981175614.db2.gz WMALHRSGVWRGAA-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cc(-c2cccc3[nH+]c(C)cn32)ccn1 ZINC001240256951 981230747 /nfs/dbraw/zinc/23/07/47/981230747.db2.gz XWTHIBZAHGOKCH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(-c2ccnc3ccncc32)c[nH+]c1N ZINC001250504286 981271238 /nfs/dbraw/zinc/27/12/38/981271238.db2.gz JFIAUDPWILZTCG-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1ccc(-c2ccc3cnn(C)c3c2)[nH+]c1N ZINC001240307515 981276889 /nfs/dbraw/zinc/27/68/89/981276889.db2.gz QQWUVPVPDNGCHP-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CCCCCNC(=O)Nc1cccc2[nH+]ccn21 ZINC001193283132 981282794 /nfs/dbraw/zinc/28/27/94/981282794.db2.gz WAEFUAOIKQCTGX-UHFFFAOYSA-N 1 2 246.314 2.646 20 0 BFADLO CCc1ccc(N2CC[C@H](C)[C@H](OC)C2)[nH+]c1 ZINC001348115093 981288031 /nfs/dbraw/zinc/28/80/31/981288031.db2.gz ATPXKUMNCRLULF-WCQYABFASA-N 1 2 234.343 2.505 20 0 BFADLO Nc1ccc(-c2ccc3ncsc3c2)c[nH+]1 ZINC001240344582 981306491 /nfs/dbraw/zinc/30/64/91/981306491.db2.gz KYGKKJIDWAGXAP-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Cc1cn2c(cccc2NC(=O)OC(C)C)[nH+]1 ZINC001193446034 981318094 /nfs/dbraw/zinc/31/80/94/981318094.db2.gz HBALWEXTMDTGKL-UHFFFAOYSA-N 1 2 233.271 2.600 20 0 BFADLO c1cc2cc(-c3ccn4cc[nH+]c4c3)cnc2[nH]1 ZINC001240393197 981352988 /nfs/dbraw/zinc/35/29/88/981352988.db2.gz YRMHWMJXODGSRL-UHFFFAOYSA-N 1 2 234.262 2.829 20 0 BFADLO CNc1cc(-c2ccnc3[nH]ccc32)cc[nH+]1 ZINC001240414937 981365708 /nfs/dbraw/zinc/36/57/08/981365708.db2.gz JBOQGGZQBASFJX-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)nc1F ZINC001240495882 981415015 /nfs/dbraw/zinc/41/50/15/981415015.db2.gz BECBWSSDQKBABT-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240496722 981417901 /nfs/dbraw/zinc/41/79/01/981417901.db2.gz GNWRHGCDMWYFCW-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO CC(C)c1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240496407 981418103 /nfs/dbraw/zinc/41/81/03/981418103.db2.gz NRBCUKVIORCIPM-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO c1cn2ccc(-c3ncc(C4CC4)cn3)cc2[nH+]1 ZINC001240497135 981418556 /nfs/dbraw/zinc/41/85/56/981418556.db2.gz ZDKQYLHZVMRGNI-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO Cc1nnc(-c2ccn3cc[nH+]c3c2)c(C)c1C ZINC001240503693 981430519 /nfs/dbraw/zinc/43/05/19/981430519.db2.gz SSUYLDMVBUVBOD-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO CCOc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001240504039 981430707 /nfs/dbraw/zinc/43/07/07/981430707.db2.gz VSUBAYLCELINGW-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO c1cn2ccc(-c3ccc4c(c3)CCN4)cc2[nH+]1 ZINC001240503318 981430752 /nfs/dbraw/zinc/43/07/52/981430752.db2.gz KQKBYNGPKHCWRA-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO FC(F)c1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240503665 981431421 /nfs/dbraw/zinc/43/14/21/981431421.db2.gz RFLTVRPZGYMRTR-UHFFFAOYSA-N 1 2 246.220 2.729 20 0 BFADLO Cc1cc(F)ncc1-c1ccn2cc[nH+]c2c1 ZINC001240504107 981432058 /nfs/dbraw/zinc/43/20/58/981432058.db2.gz YZYCRWYJUGTRJW-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(F)nc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240508661 981433324 /nfs/dbraw/zinc/43/33/24/981433324.db2.gz HMJPQDLUMDILPZ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cncc(-c2ccn3cc[nH+]c3c2)c1C ZINC001240510349 981433612 /nfs/dbraw/zinc/43/36/12/981433612.db2.gz IMACNWAFBIVIJC-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Fc1cc(-c2ccn3cc[nH+]c3c2)cc(F)n1 ZINC001240510294 981434887 /nfs/dbraw/zinc/43/48/87/981434887.db2.gz HAKIGWREZHNIAF-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO COc1nccc(C)c1-c1ccn2cc[nH+]c2c1 ZINC001240510555 981436145 /nfs/dbraw/zinc/43/61/45/981436145.db2.gz NSFIXDDNCDBCCG-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2ccc(-c3ccc4ccnnc4c3)cc2[nH+]1 ZINC001240511261 981436360 /nfs/dbraw/zinc/43/63/60/981436360.db2.gz CAQDSCRIYSAKSZ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)cc(C)n1 ZINC001240513178 981439631 /nfs/dbraw/zinc/43/96/31/981439631.db2.gz KKPRKASEMSLETM-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cn2cc(NC(=O)OCC(C)C)ccc2[nH+]1 ZINC001193807984 981454950 /nfs/dbraw/zinc/45/49/50/981454950.db2.gz OTVAPCQSZWIJEP-UHFFFAOYSA-N 1 2 247.298 2.847 20 0 BFADLO CC(=CC=C[NH3+])c1cccc(-c2cc[nH]n2)c1 ZINC001240561930 981480814 /nfs/dbraw/zinc/48/08/14/981480814.db2.gz GDJRAPKTNJGDMA-BZKLWIKRSA-N 1 2 225.295 2.952 20 0 BFADLO CNc1ncc2cc(/C(C)=C/C=C/[NH3+])ccc2n1 ZINC001240598969 981494783 /nfs/dbraw/zinc/49/47/83/981494783.db2.gz YHZLIVGAYQSIIM-DROBUMMNSA-N 1 2 240.310 2.547 20 0 BFADLO Cc1cnccc1-c1cccc2[nH+]ccn21 ZINC001240610165 981506199 /nfs/dbraw/zinc/50/61/99/981506199.db2.gz DQTOBJGDCISVDH-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CCCOC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001194086367 981546451 /nfs/dbraw/zinc/54/64/51/981546451.db2.gz FFIUWVCGADCJQP-UHFFFAOYSA-N 1 2 245.282 2.831 20 0 BFADLO CCn1cc(-c2cc(C)c3[nH+]ccn3c2)cn1 ZINC001240651188 981559879 /nfs/dbraw/zinc/55/98/79/981559879.db2.gz YDUUIWWZAXZILH-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1cc(C[N@H+](C)CCC(F)(F)F)sn1 ZINC001349596397 981589169 /nfs/dbraw/zinc/58/91/69/981589169.db2.gz HMGKTTUNUJUTKI-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO Cc1cc(C[N@@H+](C)CCC(F)(F)F)sn1 ZINC001349596397 981589182 /nfs/dbraw/zinc/58/91/82/981589182.db2.gz HMGKTTUNUJUTKI-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO CCn1nccc1-c1cn2cc[nH+]c2cc1C ZINC001240702885 981650359 /nfs/dbraw/zinc/65/03/59/981650359.db2.gz LSBDXRSCKYRCDN-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C(F)=C1CCCC1 ZINC001349791762 981746263 /nfs/dbraw/zinc/74/62/63/981746263.db2.gz OJAVTTBQGFVINM-UHFFFAOYSA-N 1 2 248.301 2.856 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccnc(C)c1 ZINC001240719764 981747839 /nfs/dbraw/zinc/74/78/39/981747839.db2.gz XSVAJSXKVRGUFZ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1ccc(N[C@@H]2CCCn3ccnc32)c(C)[nH+]1 ZINC001349840139 981787800 /nfs/dbraw/zinc/78/78/00/981787800.db2.gz OJJUVZKLOGBDAT-CYBMUJFWSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H](C)C2(C)CC2)c(C)[nH+]1 ZINC001349853407 981794688 /nfs/dbraw/zinc/79/46/88/981794688.db2.gz ZHVAAFDTGGEQBE-LBPRGKRZSA-N 1 2 246.354 2.925 20 0 BFADLO CCCC[N@H+](CC)Cn1nc(CC)oc1=S ZINC001349916619 981811777 /nfs/dbraw/zinc/81/17/77/981811777.db2.gz LLESKNALQDSFDK-UHFFFAOYSA-N 1 2 243.376 2.847 20 0 BFADLO CCCC[N@@H+](CC)Cn1nc(CC)oc1=S ZINC001349916619 981811782 /nfs/dbraw/zinc/81/17/82/981811782.db2.gz LLESKNALQDSFDK-UHFFFAOYSA-N 1 2 243.376 2.847 20 0 BFADLO Cc1cc(-c2ccc(OC(C)C)nc2)c[nH+]c1N ZINC001240809630 981863661 /nfs/dbraw/zinc/86/36/61/981863661.db2.gz KHMLUGUMKDLFCW-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Clc1cccc(C[N@@H+]2CCCC23COC3)c1 ZINC001203800623 981863833 /nfs/dbraw/zinc/86/38/33/981863833.db2.gz YWHVNLPJFFUKFB-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1cccc(C[N@H+]2CCCC23COC3)c1 ZINC001203800623 981863837 /nfs/dbraw/zinc/86/38/37/981863837.db2.gz YWHVNLPJFFUKFB-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CNc1cc(-c2cnc3c(ccn3C)c2)cc[nH+]1 ZINC001240844685 981884577 /nfs/dbraw/zinc/88/45/77/981884577.db2.gz IAXPOXPJJFBUAM-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1N ZINC001240962875 982041404 /nfs/dbraw/zinc/04/14/04/982041404.db2.gz WQXPTWGWJODPGH-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Cc1ccc(-c2cccc(N(C)C)c2)[nH+]c1N ZINC001240983764 982062324 /nfs/dbraw/zinc/06/23/24/982062324.db2.gz NKXDEXOSKWROQC-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO CNc1cc(-c2cc(F)cc(OC)c2)cc[nH+]1 ZINC001241030133 982127182 /nfs/dbraw/zinc/12/71/82/982127182.db2.gz FZXSPKTXWBDBTF-UHFFFAOYSA-N 1 2 232.258 2.938 20 0 BFADLO COc1cc(-c2c[nH+]c(N)c(C)c2)ccc1C ZINC001241035294 982134879 /nfs/dbraw/zinc/13/48/79/982134879.db2.gz NRUSGPGPWNPATQ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)c(O)c1 ZINC001241038570 982140626 /nfs/dbraw/zinc/14/06/26/982140626.db2.gz TXCLERKUPJJRCQ-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(F)c1F ZINC001241042184 982141486 /nfs/dbraw/zinc/14/14/86/982141486.db2.gz VPMSSEFQIWKIFJ-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO CCOc1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001241113728 982227296 /nfs/dbraw/zinc/22/72/96/982227296.db2.gz OYKUABRBHHMDMK-UHFFFAOYSA-N 1 2 239.278 2.975 20 0 BFADLO Nc1cc(-c2cccc(-c3ncco3)c2)cc[nH+]1 ZINC001241162420 982304886 /nfs/dbraw/zinc/30/48/86/982304886.db2.gz IKFSJFOFMWVMPX-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CCc1cc2cc(-c3cc[nH+]c(N)c3)cnc2[nH]1 ZINC001241163690 982308511 /nfs/dbraw/zinc/30/85/11/982308511.db2.gz YHAQMABNQGEPMZ-UHFFFAOYSA-N 1 2 238.294 2.770 20 0 BFADLO CC(C)Oc1cc(-c2cc[nH+]c(N)c2)cnc1F ZINC001241171186 982322247 /nfs/dbraw/zinc/32/22/47/982322247.db2.gz XFNLLQIHNNUMAZ-UHFFFAOYSA-N 1 2 247.273 2.652 20 0 BFADLO Nc1cc(-c2ccc3c(c2)NC(=S)C3)cc[nH+]1 ZINC001241175468 982325170 /nfs/dbraw/zinc/32/51/70/982325170.db2.gz CNFYQSFLGSUFKX-UHFFFAOYSA-N 1 2 241.319 2.626 20 0 BFADLO CC(=O)c1ccccc1-c1c[nH+]c(N)c(C)c1 ZINC001241206051 982354150 /nfs/dbraw/zinc/35/41/50/982354150.db2.gz LJMTYCMHMVRJMZ-UHFFFAOYSA-N 1 2 226.279 2.842 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1nccs1 ZINC001241243808 982385006 /nfs/dbraw/zinc/38/50/06/982385006.db2.gz MJWKEZQYLUXACF-UHFFFAOYSA-N 1 2 219.313 2.580 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ncc(F)cc1F ZINC001241243837 982385698 /nfs/dbraw/zinc/38/56/98/982385698.db2.gz NZSUJLRBLJUXNP-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)c(F)cn1 ZINC001241248557 982389172 /nfs/dbraw/zinc/38/91/72/982389172.db2.gz QDPSYIGTWZQZJQ-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1ccc(-c2nc3c(cccc3F)[nH]2)c(N)[nH+]1 ZINC001250982202 982415384 /nfs/dbraw/zinc/41/53/84/982415384.db2.gz RIHICXYHZCSXIX-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO COc1ncc(-c2cn3cc[nH+]c3cc2C)s1 ZINC001241413715 982560768 /nfs/dbraw/zinc/56/07/68/982560768.db2.gz DQHWPVMLECBMRW-UHFFFAOYSA-N 1 2 245.307 2.775 20 0 BFADLO COc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1F ZINC001241416187 982566268 /nfs/dbraw/zinc/56/62/68/982566268.db2.gz WAZAVUAYLZUOOZ-UHFFFAOYSA-N 1 2 243.241 2.724 20 0 BFADLO COc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1F ZINC001241419089 982567649 /nfs/dbraw/zinc/56/76/49/982567649.db2.gz UVZFNXIRYITTIN-UHFFFAOYSA-N 1 2 246.285 2.962 20 0 BFADLO Cc1cn2cc(-c3cnc4n[nH]cc4c3)ccc2[nH+]1 ZINC001241425431 982577499 /nfs/dbraw/zinc/57/74/99/982577499.db2.gz SROBECZKYXHCJG-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cccc(CO)c1 ZINC001241509296 982665126 /nfs/dbraw/zinc/66/51/26/982665126.db2.gz GFKPYGFDLQXQSF-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1ccc2n[nH]cc2c1-c1c[nH+]c(N)c(C)c1 ZINC001241521383 982685440 /nfs/dbraw/zinc/68/54/40/982685440.db2.gz FGAMOKHAMJRHCU-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1c(-c2ccc(N)cc2)ccc2[nH+]ccn21 ZINC001241545858 982751398 /nfs/dbraw/zinc/75/13/98/982751398.db2.gz YAIRHVYQFIJQBN-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cn1cc2c(cccc2-c2cccc3[nH+]ccn32)n1 ZINC001241581853 982830361 /nfs/dbraw/zinc/83/03/61/982830361.db2.gz BNRSDZVIBXDWNB-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Nc1cc(-c2ccc3ccncc3c2)cc[nH+]1 ZINC001241675267 982920029 /nfs/dbraw/zinc/92/00/29/982920029.db2.gz FWLORLOSUAKJHC-UHFFFAOYSA-N 1 2 221.263 2.879 20 0 BFADLO Cc1cc(-c2ccc3[nH]cnc3c2)c[nH+]c1N ZINC001241698116 982959936 /nfs/dbraw/zinc/95/99/36/982959936.db2.gz UNTDCCXBXNMQOB-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCOc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001241704062 982964197 /nfs/dbraw/zinc/96/41/97/982964197.db2.gz ORNGDAKIKWVHDH-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO c1cn2ccc(-c3cnn(C4CCC4)c3)cc2[nH+]1 ZINC001241722488 983007158 /nfs/dbraw/zinc/00/71/58/983007158.db2.gz OJTNKYVIJLVUGT-UHFFFAOYSA-N 1 2 238.294 2.923 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnn(-c2ccccc2)c1 ZINC001241752429 983032538 /nfs/dbraw/zinc/03/25/38/983032538.db2.gz MSWJFYPIXLJXEL-BGNLXQKFSA-N 1 2 225.295 2.748 20 0 BFADLO Cc1cc(-c2ccc(F)c(CO)c2)cc(C)[nH+]1 ZINC001241786956 983047691 /nfs/dbraw/zinc/04/76/91/983047691.db2.gz IPIJMUJMKFLIDF-UHFFFAOYSA-N 1 2 231.270 2.997 20 0 BFADLO Cc1cn2c(cccc2-c2ccc(F)cn2)[nH+]1 ZINC001241808533 983066566 /nfs/dbraw/zinc/06/65/66/983066566.db2.gz VFZSCUUPEYOXSK-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1c(-c2ccc(F)cn2)ccc2[nH+]ccn21 ZINC001241810421 983070389 /nfs/dbraw/zinc/07/03/89/983070389.db2.gz NJOSJHDSZWROTE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)CCCN2 ZINC001241836539 983083680 /nfs/dbraw/zinc/08/36/80/983083680.db2.gz VCCKVKOJLBEDFJ-QCNCOMHOSA-N 1 2 214.312 2.920 20 0 BFADLO Cc1cn2c(cccc2-c2cscn2)[nH+]1 ZINC001241889832 983106045 /nfs/dbraw/zinc/10/60/45/983106045.db2.gz SNTSRJFVUVRVCA-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO CCCc1ccnc(Nc2ccc(N)[nH+]c2)c1 ZINC001201279495 983156170 /nfs/dbraw/zinc/15/61/70/983156170.db2.gz PZUACSFRTZJLPW-UHFFFAOYSA-N 1 2 228.299 2.755 20 0 BFADLO COc1ccc(Nc2ccc(N)[nH+]c2)c(F)c1 ZINC001201283873 983159136 /nfs/dbraw/zinc/15/91/36/983159136.db2.gz HYJGDEMUZDGUNE-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO Nc1ccc(Nc2ccc(Cl)cc2O)c[nH+]1 ZINC001201285508 983161705 /nfs/dbraw/zinc/16/17/05/983161705.db2.gz JQJSKQFKMNBJMT-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO Nc1ccc(Nc2ccc3c(c2)CCC3=O)c[nH+]1 ZINC001201285855 983161740 /nfs/dbraw/zinc/16/17/40/983161740.db2.gz RAHRSPNOXQNGKE-UHFFFAOYSA-N 1 2 239.278 2.536 20 0 BFADLO CC(C)(C)c1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201275469 983175292 /nfs/dbraw/zinc/17/52/92/983175292.db2.gz FZHYLVOTYNCGNS-UHFFFAOYSA-N 1 2 232.287 2.693 20 0 BFADLO Cc1cc(-c2cccc3c2CNC3=O)cc(C)[nH+]1 ZINC001241992697 983187842 /nfs/dbraw/zinc/18/78/42/983187842.db2.gz WUNPFGXIBXVBAE-UHFFFAOYSA-N 1 2 238.290 2.609 20 0 BFADLO Cc1cc(-c2ccc(C(N)=O)cc2C)cc(C)[nH+]1 ZINC001241995833 983190452 /nfs/dbraw/zinc/19/04/52/983190452.db2.gz STVFUTDJKDSHNR-UHFFFAOYSA-N 1 2 240.306 2.773 20 0 BFADLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)cc(C)n1 ZINC001241996727 983190877 /nfs/dbraw/zinc/19/08/77/983190877.db2.gz ZWCBTQKYLGDXOR-UHFFFAOYSA-N 1 2 239.322 2.761 20 0 BFADLO CCN(C)c1ccc(NC2=CCSCC2)c[nH+]1 ZINC001201333411 983191140 /nfs/dbraw/zinc/19/11/40/983191140.db2.gz CMUSOFKBHBTWAV-UHFFFAOYSA-N 1 2 249.383 2.970 20 0 BFADLO CCc1ccc(N2CC[C@@]3(CC3(F)F)C2)[nH+]c1 ZINC001354227627 983208489 /nfs/dbraw/zinc/20/84/89/983208489.db2.gz RJZHHCUWRPBFDS-GFCCVEGCSA-N 1 2 238.281 2.880 20 0 BFADLO C[Si](C)(C)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC001242018235 983221561 /nfs/dbraw/zinc/22/15/61/983221561.db2.gz BASYXRYBOOGXDQ-UHFFFAOYSA-N 1 2 216.360 2.622 20 0 BFADLO CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)c(C)c1C ZINC001242019428 983226883 /nfs/dbraw/zinc/22/68/83/983226883.db2.gz WSGCRBOPNOESOJ-UHFFFAOYSA-N 1 2 229.283 2.652 20 0 BFADLO Sc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242021686 983230670 /nfs/dbraw/zinc/23/06/70/983230670.db2.gz VAPSJGXTWMIXMC-NEPJUHHUSA-N 1 2 217.337 2.883 20 0 BFADLO COc1ccncc1-c1c[nH+]c(N(C)C)cc1C ZINC001242056977 983265860 /nfs/dbraw/zinc/26/58/60/983265860.db2.gz HKFZMUNEDKCXOZ-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO CC(C)C[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001201482794 983286832 /nfs/dbraw/zinc/28/68/32/983286832.db2.gz NXNXFZCDUQRHAV-UHFFFAOYSA-N 1 2 210.708 2.707 20 0 BFADLO CC(C)C[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001201482794 983286837 /nfs/dbraw/zinc/28/68/37/983286837.db2.gz NXNXFZCDUQRHAV-UHFFFAOYSA-N 1 2 210.708 2.707 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncc2sccc2n1 ZINC001242070689 983303825 /nfs/dbraw/zinc/30/38/25/983303825.db2.gz JOLBCGYISGWHMH-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO CC[C@H](C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201521799 983319740 /nfs/dbraw/zinc/31/97/40/983319740.db2.gz YSEFKGVSHRWXOI-NSHDSACASA-N 1 2 242.363 2.543 20 0 BFADLO CC[C@H](C)C[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201521799 983319747 /nfs/dbraw/zinc/31/97/47/983319747.db2.gz YSEFKGVSHRWXOI-NSHDSACASA-N 1 2 242.363 2.543 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1cc2nc[nH]c2cc1F ZINC001242095874 983337658 /nfs/dbraw/zinc/33/76/58/983337658.db2.gz PZOZKVJKIWBGTD-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO CSCCC[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001201681965 983393151 /nfs/dbraw/zinc/39/31/51/983393151.db2.gz JWVSBVBUAGKQCB-SECBINFHSA-N 1 2 241.322 2.809 20 0 BFADLO CSCCC[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001201681965 983393152 /nfs/dbraw/zinc/39/31/52/983393152.db2.gz JWVSBVBUAGKQCB-SECBINFHSA-N 1 2 241.322 2.809 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccccc1N(C)C ZINC001242185841 983399657 /nfs/dbraw/zinc/39/96/57/983399657.db2.gz VKDXPOBFRCCGQU-JMQWPVDRSA-N 1 2 202.301 2.628 20 0 BFADLO CNc1cc(-c2ccccc2N(C)C)cc[nH+]1 ZINC001242193344 983402689 /nfs/dbraw/zinc/40/26/89/983402689.db2.gz QKXWIAJOBVAHPZ-UHFFFAOYSA-N 1 2 227.311 2.856 20 0 BFADLO Nc1cc(-c2cncc(C3CC3)c2)cc[nH+]1 ZINC001242197348 983406189 /nfs/dbraw/zinc/40/61/89/983406189.db2.gz MRQCROKWHWXZLO-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO CCCC[N@@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001201700284 983412453 /nfs/dbraw/zinc/41/24/53/983412453.db2.gz ICJQNHVLIITJPT-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO CCCC[N@H+]1CCC[C@@H](F)C(F)(F)C1 ZINC001201700284 983412461 /nfs/dbraw/zinc/41/24/61/983412461.db2.gz ICJQNHVLIITJPT-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cnccc2c1 ZINC001242243363 983454774 /nfs/dbraw/zinc/45/47/74/983454774.db2.gz JEFMTHJBERMRFY-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO [NH3+]Cc1ccnc(-c2cccc(Cl)c2O)c1 ZINC001242362157 983651427 /nfs/dbraw/zinc/65/14/27/983651427.db2.gz BBGMRSRTFZEUJO-UHFFFAOYSA-N 1 2 234.686 2.566 20 0 BFADLO CCCCOC1C[NH+](CCCC(F)(F)F)C1 ZINC001202424984 983655125 /nfs/dbraw/zinc/65/51/25/983655125.db2.gz RCBUZHHZQNUSRW-UHFFFAOYSA-N 1 2 239.281 2.830 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(OC(F)F)cc1 ZINC001242439996 983744981 /nfs/dbraw/zinc/74/49/81/983744981.db2.gz WKERLGBTRZWSPQ-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccn(C(C)C)n1 ZINC001242455320 983755209 /nfs/dbraw/zinc/75/52/09/983755209.db2.gz VGSPPIYUOBKURX-UHFFFAOYSA-N 1 2 231.299 2.843 20 0 BFADLO COc1c(F)cccc1-c1c[nH+]c(N)c(C)c1 ZINC001242484681 983813123 /nfs/dbraw/zinc/81/31/23/983813123.db2.gz VSCQTWJKDONJJV-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1sccc1C(=O)Nc1cc(C)[nH+]cc1C ZINC001358139823 983831874 /nfs/dbraw/zinc/83/18/74/983831874.db2.gz ARDXENZOVYWYDM-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO c1cn2cccc(-c3ccc4ncncc4c3)c2[nH+]1 ZINC001242512842 983835281 /nfs/dbraw/zinc/83/52/81/983835281.db2.gz YLTQTPSIZOOVPF-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COCOc1ccc(-c2ccc[nH+]c2N)c(C)c1 ZINC001242538593 983857279 /nfs/dbraw/zinc/85/72/79/983857279.db2.gz VLCNUZYXFSEYMS-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc([C@@H](C)O)c1 ZINC001242551882 983870945 /nfs/dbraw/zinc/87/09/45/983870945.db2.gz UXPOSQKFJLDLKB-VENQCUESSA-N 1 2 203.285 2.616 20 0 BFADLO COc1nscc1C[N@H+](C)CC=C(C)C ZINC001473828378 983895703 /nfs/dbraw/zinc/89/57/03/983895703.db2.gz NNZNQLBTMJPKAL-UHFFFAOYSA-N 1 2 226.345 2.550 20 0 BFADLO COc1nscc1C[N@@H+](C)CC=C(C)C ZINC001473828378 983895704 /nfs/dbraw/zinc/89/57/04/983895704.db2.gz NNZNQLBTMJPKAL-UHFFFAOYSA-N 1 2 226.345 2.550 20 0 BFADLO Cc1cc(-c2ccc3ocnc3c2)c[nH+]c1N ZINC001242598514 983935462 /nfs/dbraw/zinc/93/54/62/983935462.db2.gz WPEKLVRUZCQSOZ-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO C[NH+]1CC(Oc2ccc(Cl)c(Cl)c2)C1 ZINC000200209948 983944417 /nfs/dbraw/zinc/94/44/17/983944417.db2.gz CNHFALIECNOGQZ-UHFFFAOYSA-N 1 2 232.110 2.686 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(NC(=O)N(C)C)cc1 ZINC001242636266 984008685 /nfs/dbraw/zinc/00/86/85/984008685.db2.gz JPZOTLNUZYEGEC-ZVSIBQGLSA-N 1 2 245.326 2.656 20 0 BFADLO Cc1ccc(-c2ccc([C@H](C)O)cc2)[nH+]c1N ZINC001242645188 984016330 /nfs/dbraw/zinc/01/63/30/984016330.db2.gz VMYQBMPTVJXBEX-JTQLQIEISA-N 1 2 228.295 2.693 20 0 BFADLO Cc1ccc(C)c(Nc2cccc(=O)[nH]2)[nH+]1 ZINC001212787550 984019534 /nfs/dbraw/zinc/01/95/34/984019534.db2.gz GJGWWBTXBRCDDO-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1cc(-c2ccc([C@H](C)O)cc2)c[nH+]c1N ZINC001242648708 984022362 /nfs/dbraw/zinc/02/23/62/984022362.db2.gz SQVFYBVBOOOUCN-JTQLQIEISA-N 1 2 228.295 2.693 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccccc1-n1cccn1 ZINC001242710898 984057184 /nfs/dbraw/zinc/05/71/84/984057184.db2.gz VYJRKWJVFSWPQQ-SWZJNJIDSA-N 1 2 225.295 2.748 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc[nH]2)no1 ZINC001204006088 984138454 /nfs/dbraw/zinc/13/84/54/984138454.db2.gz HKCMUBMPZOTOMI-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc[nH]2)no1 ZINC001204006088 984138477 /nfs/dbraw/zinc/13/84/77/984138477.db2.gz HKCMUBMPZOTOMI-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO COc1c(F)cc(F)cc1/C(C)=C/C=C/[NH3+] ZINC001242809895 984177701 /nfs/dbraw/zinc/17/77/01/984177701.db2.gz UJCRICMCXXMHGW-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO CN(C)c1cc(-c2cc(F)c(N)c(F)c2)cc[nH+]1 ZINC001242839361 984187566 /nfs/dbraw/zinc/18/75/66/984187566.db2.gz RDWRJLCCRFQEIR-UHFFFAOYSA-N 1 2 249.264 2.675 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)C(=O)CCC2 ZINC001242857629 984196223 /nfs/dbraw/zinc/19/62/23/984196223.db2.gz VQJLECJOGCTVRU-UHFFFAOYSA-N 1 2 226.279 2.606 20 0 BFADLO Cc1c[nH+]c(Nc2cc(F)ncc2C)c(N)c1 ZINC001212847310 984283392 /nfs/dbraw/zinc/28/33/92/984283392.db2.gz GSTOJWPOVJGWSP-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO c1cn2ccc(-c3ccc(C4CC4)nn3)cc2[nH+]1 ZINC001240497504 984305997 /nfs/dbraw/zinc/30/59/97/984305997.db2.gz QQNGQJSJTMMOAF-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc(F)c1F ZINC001243067374 984482075 /nfs/dbraw/zinc/48/20/75/984482075.db2.gz KUMFVRRKCMCLKD-UHFFFAOYSA-N 1 2 208.211 2.674 20 0 BFADLO CC(=O)n1ccc2cc(-c3c[nH+]cn3C)ccc21 ZINC001243068851 984486644 /nfs/dbraw/zinc/48/66/44/984486644.db2.gz ITZFSWVTZOHJAU-UHFFFAOYSA-N 1 2 239.278 2.702 20 0 BFADLO CC[S@@](=N)(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243070488 984492891 /nfs/dbraw/zinc/49/28/91/984492891.db2.gz FVUGYQKIPBSBAW-QGZVFWFLSA-N 1 2 249.339 2.513 20 0 BFADLO COc1cccc2c(-c3c[nH+]cn3C)ccnc12 ZINC001243070639 984493464 /nfs/dbraw/zinc/49/34/64/984493464.db2.gz INDQVURUINSTER-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CC(C)COc1cc(-c2c[nH+]cn2C)ccn1 ZINC001243070305 984495141 /nfs/dbraw/zinc/49/51/41/984495141.db2.gz RBBFUKQCZSBPJR-UHFFFAOYSA-N 1 2 231.299 2.517 20 0 BFADLO COc1cnccc1-c1cn2cc[nH+]c2cc1C ZINC001243073648 984509555 /nfs/dbraw/zinc/50/95/55/984509555.db2.gz SOTFNADPFKDVKY-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cccc(-c2cccc3[nH+]c(C)cn32)n1 ZINC001243095677 984520809 /nfs/dbraw/zinc/52/08/09/984520809.db2.gz BDJQQFSMQBKBQV-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cccc(-c2cc(C)c3[nH+]ccn3c2)n1 ZINC001243096113 984527619 /nfs/dbraw/zinc/52/76/19/984527619.db2.gz UGRCCGMCGOIEGK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cccc(-c2[nH+]ccc3[nH]ccc32)n1 ZINC001243097397 984530865 /nfs/dbraw/zinc/53/08/65/984530865.db2.gz QULNVSZDTDJKLX-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO OCc1cccc(-c2[nH+]ccc3[nH]ccc32)c1F ZINC001243138576 984596135 /nfs/dbraw/zinc/59/61/35/984596135.db2.gz WPPVVRYKOAYBBN-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO CNc1cc(-c2ccc(CO)c(C)c2)cc[nH+]1 ZINC001243192175 984663257 /nfs/dbraw/zinc/66/32/57/984663257.db2.gz YFRYYPHGCQNQGG-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO CC(C)c1cc(-c2c[nH+]cn2C)ccc1O ZINC001243246143 984796743 /nfs/dbraw/zinc/79/67/43/984796743.db2.gz WTBXOANHDOLKBG-UHFFFAOYSA-N 1 2 216.284 2.916 20 0 BFADLO COc1ccc(-c2cc(C)[nH+]c(C)c2)c(CO)c1 ZINC001243248111 984802437 /nfs/dbraw/zinc/80/24/37/984802437.db2.gz FLZSIJPRKCUTJQ-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(O)c(F)c1F ZINC001243342641 984831843 /nfs/dbraw/zinc/83/18/43/984831843.db2.gz MQSSIOSWHNIQQD-YPCIICBESA-N 1 2 211.211 2.546 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cnc(C)s1 ZINC001243380302 984864569 /nfs/dbraw/zinc/86/45/69/984864569.db2.gz NIDNRPWFFFNUCE-UHFFFAOYSA-N 1 2 220.297 2.831 20 0 BFADLO CNc1cc(-c2ccc(F)c(N)c2)cc[nH+]1 ZINC001243454851 984946840 /nfs/dbraw/zinc/94/68/40/984946840.db2.gz AFWACXBBXGGXOS-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO CCCC[C@@H](CC)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257424597 984985078 /nfs/dbraw/zinc/98/50/78/984985078.db2.gz GKAVBNBAOXKILQ-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO CCCC[C@@H](CC)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257424597 984985093 /nfs/dbraw/zinc/98/50/93/984985093.db2.gz GKAVBNBAOXKILQ-MNOVXSKESA-N 1 2 235.318 2.657 20 0 BFADLO Nc1nc2ccc(-c3ccc[nH+]c3N)cc2s1 ZINC001243473220 985017957 /nfs/dbraw/zinc/01/79/57/985017957.db2.gz IHJRJQPENWAWDJ-UHFFFAOYSA-N 1 2 242.307 2.523 20 0 BFADLO COc1cc(C)c(-c2ccc[nH+]c2N)c(C)c1 ZINC001243473357 985021484 /nfs/dbraw/zinc/02/14/84/985021484.db2.gz ADESBVLQHMWKKT-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1nc(OC(C)C)ccc1-c1ccc[nH+]c1N ZINC001243473304 985025917 /nfs/dbraw/zinc/02/59/17/985025917.db2.gz KGTANPWWQXMSHT-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1-c1cnco1 ZINC001243474948 985028025 /nfs/dbraw/zinc/02/80/25/985028025.db2.gz UPTLAHRSHCQTOX-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CC(=O)Nc1ccc(-c2ccc[nH+]c2N)c(C)c1 ZINC001243475958 985029143 /nfs/dbraw/zinc/02/91/43/985029143.db2.gz NGSKLMYZMSSIRT-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO CCOC(=O)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243474934 985031374 /nfs/dbraw/zinc/03/13/74/985031374.db2.gz UIAQJUABWHHIBO-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(OC2CCC2)c1 ZINC001243476546 985034587 /nfs/dbraw/zinc/03/45/87/985034587.db2.gz CBWJOMMGZXJUPX-UHFFFAOYSA-N 1 2 241.294 2.657 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(-c2ncc[nH]2)c1 ZINC001243477063 985038662 /nfs/dbraw/zinc/03/86/62/985038662.db2.gz YTMWOPOGBPAHSE-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO CC[C@@H](C)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001257447789 985040942 /nfs/dbraw/zinc/04/09/42/985040942.db2.gz KXMUNYBRZNJXID-MRVPVSSYSA-N 1 2 210.708 2.849 20 0 BFADLO CC[C@@H](C)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001257447789 985040958 /nfs/dbraw/zinc/04/09/58/985040958.db2.gz KXMUNYBRZNJXID-MRVPVSSYSA-N 1 2 210.708 2.849 20 0 BFADLO CCOc1ccc(-c2ccc[nH+]c2N)cc1OC ZINC001243478033 985042097 /nfs/dbraw/zinc/04/20/97/985042097.db2.gz XNUYUPXHDGPBKZ-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO Cc1cc(-c2cccnc2C2CC2)c[nH+]c1N ZINC001243689735 985216094 /nfs/dbraw/zinc/21/60/94/985216094.db2.gz WOPQKFPSHGBVBK-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO CCc1cc(N2CC[C@@H]2C(C)C)nc(CC)[nH+]1 ZINC001458378909 985301632 /nfs/dbraw/zinc/30/16/32/985301632.db2.gz LCWOHSLSHPLJFK-GFCCVEGCSA-N 1 2 233.359 2.836 20 0 BFADLO CCc1cc(NCC[C@H](C)F)nc(CC)[nH+]1 ZINC001458406251 985305985 /nfs/dbraw/zinc/30/59/85/985305985.db2.gz JALWOENSGBREHA-VIFPVBQESA-N 1 2 225.311 2.761 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]3C[C@H]3C2)nc(CC)[nH+]1 ZINC001458447748 985314583 /nfs/dbraw/zinc/31/45/83/985314583.db2.gz WPIMSGFGDAMHSH-PEGIJTEDSA-N 1 2 231.343 2.812 20 0 BFADLO CCc1cc(NCc2cnoc2C)nc(CC)[nH+]1 ZINC001458633210 985334261 /nfs/dbraw/zinc/33/42/61/985334261.db2.gz AUBMFJNVEPCLIW-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001258087027 985386045 /nfs/dbraw/zinc/38/60/45/985386045.db2.gz XNWAFYMAARSDCX-LBPRGKRZSA-N 1 2 231.343 2.927 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+]1Cc2cncnc2C1 ZINC001258087027 985386061 /nfs/dbraw/zinc/38/60/61/985386061.db2.gz XNWAFYMAARSDCX-LBPRGKRZSA-N 1 2 231.343 2.927 20 0 BFADLO CO[C@@H]1CC=C(c2cc[nH+]c(N(C)C)c2)CC1 ZINC001243817720 985423489 /nfs/dbraw/zinc/42/34/89/985423489.db2.gz ZPYWOWFZSNPLSO-CYBMUJFWSA-N 1 2 232.327 2.730 20 0 BFADLO CCc1cn(C[C@@H](CC(C)C)OC)c[nH+]1 ZINC001459264440 985429604 /nfs/dbraw/zinc/42/96/04/985429604.db2.gz VRPKHUPWVZHYKF-GFCCVEGCSA-N 1 2 210.321 2.507 20 0 BFADLO C[C@H]1COC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000687999769 985457788 /nfs/dbraw/zinc/45/77/88/985457788.db2.gz UTNSRFMOSGRSPY-WFASDCNBSA-N 1 2 246.354 2.734 20 0 BFADLO C[C@@H]1COC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000687999761 985463779 /nfs/dbraw/zinc/46/37/79/985463779.db2.gz UTNSRFMOSGRSPY-IUODEOHRSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1cc(-c2cccc3c2CCN3)c[nH+]c1N ZINC001243856615 985503319 /nfs/dbraw/zinc/50/33/19/985503319.db2.gz YGOFMLLTOHQYAH-UHFFFAOYSA-N 1 2 225.295 2.607 20 0 BFADLO Sc1cccc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243891853 985557599 /nfs/dbraw/zinc/55/75/99/985557599.db2.gz CUXUEOIRDZOOMI-SNAWJCMRSA-N 1 2 219.353 2.988 20 0 BFADLO Cc1csc2ncnc(C3=C[NH2+]CCC3)c12 ZINC001243947852 985628894 /nfs/dbraw/zinc/62/88/94/985628894.db2.gz QJPQTYNFCCHRNV-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO c1csc(-c2cc(C3=C[NH2+]CCC3)ncn2)c1 ZINC001243948637 985629974 /nfs/dbraw/zinc/62/99/74/985629974.db2.gz JJXDRXKUSNAIHB-UHFFFAOYSA-N 1 2 243.335 2.929 20 0 BFADLO CCc1nc2sccc2c(C2=C[NH2+]CCC2)n1 ZINC001243948999 985636428 /nfs/dbraw/zinc/63/64/28/985636428.db2.gz GXSKTYTUJCSYCT-UHFFFAOYSA-N 1 2 245.351 2.978 20 0 BFADLO COc1cc(F)c(C2=C[NH2+]CCC2)c(F)c1 ZINC001243950506 985647211 /nfs/dbraw/zinc/64/72/11/985647211.db2.gz WUWTXKCOEMOGAI-UHFFFAOYSA-N 1 2 225.238 2.698 20 0 BFADLO CCOC(=O)C1([NH2+]C2CCCCCCC2)CC1 ZINC001258233232 985690722 /nfs/dbraw/zinc/69/07/22/985690722.db2.gz OZQUZBSBBJNSDX-UHFFFAOYSA-N 1 2 239.359 2.785 20 0 BFADLO Cc1cn2cc(-c3cc(F)nc(F)c3)ccc2[nH+]1 ZINC001243971413 985697030 /nfs/dbraw/zinc/69/70/30/985697030.db2.gz QNWNDBMJWUUOGH-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO COc1cc[nH+]cc1NC1=CC[C@@H](OC)CC1 ZINC001212873505 985824166 /nfs/dbraw/zinc/82/41/66/985824166.db2.gz MZWCOLBRYHHVIX-LLVKDONJSA-N 1 2 234.299 2.585 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)c(F)c(F)c1N ZINC001244169244 985876465 /nfs/dbraw/zinc/87/64/65/985876465.db2.gz MJBXDYHVUFHQSQ-PIXFVPMGSA-N 1 2 228.217 2.562 20 0 BFADLO CSc1ncc(-c2c[nH+]cn2C)cc1Cl ZINC001244250643 985904993 /nfs/dbraw/zinc/90/49/93/985904993.db2.gz IOOOFNIZTNMQIU-UHFFFAOYSA-N 1 2 239.731 2.857 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001460929751 985943658 /nfs/dbraw/zinc/94/36/58/985943658.db2.gz CRLGKAWOPIPLDY-VXGBXAGGSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CC(F)(F)CC[C@H]1C ZINC001460929751 985943668 /nfs/dbraw/zinc/94/36/68/985943668.db2.gz CRLGKAWOPIPLDY-VXGBXAGGSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001460929735 985950547 /nfs/dbraw/zinc/95/05/47/985950547.db2.gz CRLGKAWOPIPLDY-NEPJUHHUSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CC(F)(F)CC[C@H]1C ZINC001460929735 985950556 /nfs/dbraw/zinc/95/05/56/985950556.db2.gz CRLGKAWOPIPLDY-NEPJUHHUSA-N 1 2 249.345 2.903 20 0 BFADLO CNc1cc(-c2ccc(C)cc2N)cc[nH+]1 ZINC001244394959 986041292 /nfs/dbraw/zinc/04/12/92/986041292.db2.gz NHRLHFUHHVUJLP-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccn[nH]1 ZINC001461390749 986047484 /nfs/dbraw/zinc/04/74/84/986047484.db2.gz QMKZHTVWPMZAAB-ABAIWWIYSA-N 1 2 241.338 2.823 20 0 BFADLO COc1cc[nH+]cc1NCc1cc(C)nc(C)c1 ZINC001461367651 986050436 /nfs/dbraw/zinc/05/04/36/986050436.db2.gz AHLZPUJEAXSTNQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ccc2[nH+]c(NCc3cnsc3)[nH]c2c1 ZINC001461710711 986114197 /nfs/dbraw/zinc/11/41/97/986114197.db2.gz RIAOBOXPDFGKRU-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO Cc1cc(-c2ccc(Cl)cc2O)c[nH+]c1N ZINC001244471840 986157877 /nfs/dbraw/zinc/15/78/77/986157877.db2.gz KKQGCQMKZNVJSN-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Cc1cc(-c2cc(C)c(F)c(O)c2)c[nH+]c1N ZINC001244520067 986229408 /nfs/dbraw/zinc/22/94/08/986229408.db2.gz JBGJJMHGZKXTGL-UHFFFAOYSA-N 1 2 232.258 2.792 20 0 BFADLO CNc1cc(-c2cccc(Cl)c2CO)cc[nH+]1 ZINC001244575673 986257976 /nfs/dbraw/zinc/25/79/76/986257976.db2.gz BVCTYXJFTPVSTM-UHFFFAOYSA-N 1 2 248.713 2.936 20 0 BFADLO Cc1cc(-c2cccc(Cl)c2CO)c[nH+]c1N ZINC001244577539 986260193 /nfs/dbraw/zinc/26/01/93/986260193.db2.gz LIIJQABJQKJWCE-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO Cc1cc(CO)ccc1-c1ccc2[nH+]ccn2c1 ZINC001244582497 986266001 /nfs/dbraw/zinc/26/60/01/986266001.db2.gz XRRDQNRYONDPOU-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CCCn1cncc1C[N@H+](C)Cc1ccc(C)o1 ZINC001462040188 986273005 /nfs/dbraw/zinc/27/30/05/986273005.db2.gz MYNWGYKOFRTAGH-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1cncc1C[N@@H+](C)Cc1ccc(C)o1 ZINC001462040188 986273018 /nfs/dbraw/zinc/27/30/18/986273018.db2.gz MYNWGYKOFRTAGH-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO C[C@@H]1CCC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258819117 986281220 /nfs/dbraw/zinc/28/12/20/986281220.db2.gz OKROVKFTKAOWTG-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CCC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258819117 986281230 /nfs/dbraw/zinc/28/12/30/986281230.db2.gz OKROVKFTKAOWTG-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO CC(=O)c1cc(-c2c[nH+]c(N)c(C)c2)cs1 ZINC001244628436 986290251 /nfs/dbraw/zinc/29/02/51/986290251.db2.gz PXDQSDAYKOTHNL-UHFFFAOYSA-N 1 2 232.308 2.903 20 0 BFADLO CCn1cnc(Cl)c1C[NH+]1CC(C)(CC)C1 ZINC001462325209 986351282 /nfs/dbraw/zinc/35/12/82/986351282.db2.gz BPHYGXXAUDGFKJ-UHFFFAOYSA-N 1 2 241.766 2.788 20 0 BFADLO CCCn1cc(C[N@@H+]2CCC[C@H](F)C2)c(C)n1 ZINC001462410478 986377187 /nfs/dbraw/zinc/37/71/87/986377187.db2.gz YOMCKGOWBWJSFQ-ZDUSSCGKSA-N 1 2 239.338 2.535 20 0 BFADLO CCCn1cc(C[N@H+]2CCC[C@H](F)C2)c(C)n1 ZINC001462410478 986377197 /nfs/dbraw/zinc/37/71/97/986377197.db2.gz YOMCKGOWBWJSFQ-ZDUSSCGKSA-N 1 2 239.338 2.535 20 0 BFADLO Cc1cc(Cl)ncc1-c1cc[nH+]c(N)c1 ZINC001244916157 986462095 /nfs/dbraw/zinc/46/20/95/986462095.db2.gz PBRJPNZLEJUTOD-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO Cc1cc(-c2cccc(O)c2C)c[nH+]c1N ZINC001244959420 986526572 /nfs/dbraw/zinc/52/65/72/986526572.db2.gz LZJIZZTUKGYBLR-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1c(Cl)c(-c2ccc[nH+]c2N)ccc1CO ZINC001244965062 986543998 /nfs/dbraw/zinc/54/39/98/986543998.db2.gz OFEHVAQRSUHIBY-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO CNc1cc(-c2ccc3[nH+]ccn3c2C)ccn1 ZINC001244977037 986564217 /nfs/dbraw/zinc/56/42/17/986564217.db2.gz PCZKCBOSXXTXBD-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO COc1c(O)cccc1-c1cccc2[nH+]ccn21 ZINC001244987395 986582594 /nfs/dbraw/zinc/58/25/94/986582594.db2.gz FKPICKKWTLLJLT-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO COc1cc(-c2cccc3[nH+]ccn32)cnc1F ZINC001245076908 986641461 /nfs/dbraw/zinc/64/14/61/986641461.db2.gz UFUBZZHSTULSPS-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CC(C)(O)c1cc(F)cc(-c2cc[nH+]c(N)c2)c1 ZINC001245140828 986671630 /nfs/dbraw/zinc/67/16/30/986671630.db2.gz AVHGIDKSXZPTEO-UHFFFAOYSA-N 1 2 246.285 2.697 20 0 BFADLO CC(=O)c1cccc(-c2c[nH+]c(N)c(C)c2)c1F ZINC001245156366 986680232 /nfs/dbraw/zinc/68/02/32/986680232.db2.gz WJSZPUSBWNOEHS-UHFFFAOYSA-N 1 2 244.269 2.981 20 0 BFADLO Cc1csc(C[NH+]2CC(C)(CO)C2)c1Cl ZINC001137287764 986723898 /nfs/dbraw/zinc/72/38/98/986723898.db2.gz XESYSQYFKBMTQH-UHFFFAOYSA-N 1 2 245.775 2.524 20 0 BFADLO c1c2ccccc2[nH]c1C[N@@H+]1CCOC2(CC2)C1 ZINC001137320614 986762082 /nfs/dbraw/zinc/76/20/82/986762082.db2.gz BWUZVJNOGGMISJ-UHFFFAOYSA-N 1 2 242.322 2.533 20 0 BFADLO c1c2ccccc2[nH]c1C[N@H+]1CCOC2(CC2)C1 ZINC001137320614 986762090 /nfs/dbraw/zinc/76/20/90/986762090.db2.gz BWUZVJNOGGMISJ-UHFFFAOYSA-N 1 2 242.322 2.533 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)[nH]2)CCO1 ZINC001137371930 986836123 /nfs/dbraw/zinc/83/61/23/986836123.db2.gz CQFOJTMSCYRSFA-NSHDSACASA-N 1 2 236.359 2.533 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCO1 ZINC001137371930 986836124 /nfs/dbraw/zinc/83/61/24/986836124.db2.gz CQFOJTMSCYRSFA-NSHDSACASA-N 1 2 236.359 2.533 20 0 BFADLO c1cn2c(cccc2-c2c[nH]c3cnccc32)[nH+]1 ZINC001245396194 986836192 /nfs/dbraw/zinc/83/61/92/986836192.db2.gz WRKKNPHJCNGKOT-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cc2cccnc2[nH]1 ZINC001245402990 986843860 /nfs/dbraw/zinc/84/38/60/986843860.db2.gz IECOGRRMISIVKR-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO CNc1cc(-c2cc3cccnc3[nH]2)cc[nH+]1 ZINC001245405106 986847362 /nfs/dbraw/zinc/84/73/62/986847362.db2.gz QKXVDEFKWXQYSK-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO Nc1cc(F)cc(-c2ccc[nH+]c2N)c1Cl ZINC001245467140 986860635 /nfs/dbraw/zinc/86/06/35/986860635.db2.gz POJRZHDEZUTJBW-UHFFFAOYSA-N 1 2 237.665 2.706 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)[nH]1 ZINC001137380421 986867361 /nfs/dbraw/zinc/86/73/61/986867361.db2.gz KZCJVIKUJNTIKR-ZDUSSCGKSA-N 1 2 248.370 2.866 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C)[nH]1 ZINC001137380421 986867364 /nfs/dbraw/zinc/86/73/64/986867364.db2.gz KZCJVIKUJNTIKR-ZDUSSCGKSA-N 1 2 248.370 2.866 20 0 BFADLO C[N@H+](Cc1cccnc1Cl)C1CC(F)(F)C1 ZINC001137419570 986888526 /nfs/dbraw/zinc/88/85/26/986888526.db2.gz BRRISTJGBFMAKH-UHFFFAOYSA-N 1 2 246.688 2.965 20 0 BFADLO C[N@@H+](Cc1cccnc1Cl)C1CC(F)(F)C1 ZINC001137419570 986888527 /nfs/dbraw/zinc/88/85/27/986888527.db2.gz BRRISTJGBFMAKH-UHFFFAOYSA-N 1 2 246.688 2.965 20 0 BFADLO Cc1cc(-c2ncncc2C(C)C)c[nH+]c1N ZINC001245535391 986908141 /nfs/dbraw/zinc/90/81/41/986908141.db2.gz KIQPMXDYLZGFOL-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO CSc1cccnc1-c1c[nH+]c(N)c(C)c1 ZINC001245536781 986915750 /nfs/dbraw/zinc/91/57/50/986915750.db2.gz ZLFAVOLXBICBNG-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1cc(-c2cncc(C(F)F)c2)c[nH+]c1N ZINC001245537286 986918366 /nfs/dbraw/zinc/91/83/66/986918366.db2.gz APTBVTWCEJTNNA-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)nc1C ZINC001245537158 986920047 /nfs/dbraw/zinc/92/00/47/986920047.db2.gz ZBNVQYOKGVBIIR-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Fc1nc(Cl)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001137471958 986922937 /nfs/dbraw/zinc/92/29/37/986922937.db2.gz HEVHTBCVRCVMAU-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1nc(Cl)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001137471958 986922948 /nfs/dbraw/zinc/92/29/48/986922948.db2.gz HEVHTBCVRCVMAU-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Cc1cc(-c2cncnc2C(C)(C)C)c[nH+]c1N ZINC001245539020 986923574 /nfs/dbraw/zinc/92/35/74/986923574.db2.gz DDMFDCFCRKAYKO-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO Cc1cc(-c2ccnc(C)c2C)c[nH+]c1N ZINC001245539734 986926176 /nfs/dbraw/zinc/92/61/76/986926176.db2.gz XXSKQJJBRYRENW-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2ccc3nnccc3c2)c[nH+]c1N ZINC001245539163 986926773 /nfs/dbraw/zinc/92/67/73/986926773.db2.gz SDHAJXMOIIMNME-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CSCc1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245539238 986927545 /nfs/dbraw/zinc/92/75/45/986927545.db2.gz VJOGIJOTEQJLTB-UHFFFAOYSA-N 1 2 245.351 2.897 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1c(O)cccc1F ZINC001245652543 987016917 /nfs/dbraw/zinc/01/69/17/987016917.db2.gz DMQIRQKXJJCKRM-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Cc1c(F)ccc(-c2cc[nH+]c3c2CCN3)c1F ZINC001245692302 987061357 /nfs/dbraw/zinc/06/13/57/987061357.db2.gz HKMGETFYOPFGDN-UHFFFAOYSA-N 1 2 246.260 2.946 20 0 BFADLO CCc1cc(N(CC)C(C)C)nc(CC)[nH+]1 ZINC001472664240 987261710 /nfs/dbraw/zinc/26/17/10/987261710.db2.gz OFXSVSDQSFUUGO-UHFFFAOYSA-N 1 2 221.348 2.836 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cncc2ccccc21 ZINC000697582536 987356156 /nfs/dbraw/zinc/35/61/56/987356156.db2.gz ISVKHQHKIPHTNG-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO CO[C@@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001116217464 987486043 /nfs/dbraw/zinc/48/60/43/987486043.db2.gz ANPFSQGWSRYGFW-GFCCVEGCSA-N 1 2 242.322 2.768 20 0 BFADLO C1=CC2(CCCCC2)[N@H+](Cc2cnsn2)C1 ZINC001473899739 987612017 /nfs/dbraw/zinc/61/20/17/987612017.db2.gz OHQGIEZBWRYQQR-UHFFFAOYSA-N 1 2 235.356 2.613 20 0 BFADLO C1=CC2(CCCCC2)[N@@H+](Cc2cnsn2)C1 ZINC001473899739 987612020 /nfs/dbraw/zinc/61/20/20/987612020.db2.gz OHQGIEZBWRYQQR-UHFFFAOYSA-N 1 2 235.356 2.613 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246218206 987616806 /nfs/dbraw/zinc/61/68/06/987616806.db2.gz PGLXRPSKDMLOJS-RQJABVFESA-N 1 2 244.398 2.881 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246218206 987616811 /nfs/dbraw/zinc/61/68/11/987616811.db2.gz PGLXRPSKDMLOJS-RQJABVFESA-N 1 2 244.398 2.881 20 0 BFADLO CCCC1CCC(N[C@H]2C[NH2+]CC[C@H]2F)CC1 ZINC001246218464 987617106 /nfs/dbraw/zinc/61/71/06/987617106.db2.gz UDYDOCJTBASQDX-PQAZSJQKSA-N 1 2 242.382 2.635 20 0 BFADLO CCCC1CCC([NH2+][C@H]2CNCC[C@H]2F)CC1 ZINC001246218464 987617111 /nfs/dbraw/zinc/61/71/11/987617111.db2.gz UDYDOCJTBASQDX-PQAZSJQKSA-N 1 2 242.382 2.635 20 0 BFADLO CCn1cc(NCc2cc(C)[nH+]c(C)c2)cn1 ZINC001474071501 987635680 /nfs/dbraw/zinc/63/56/80/987635680.db2.gz RDSYFPPLWLPNHS-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CCc1cnc(CNc2c[nH+]ccc2OC)s1 ZINC001474080378 987640247 /nfs/dbraw/zinc/64/02/47/987640247.db2.gz YVEYSBDAPBKBPB-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO Cc1ccncc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001474193325 987658378 /nfs/dbraw/zinc/65/83/78/987658378.db2.gz HASDZKXYXAHMMG-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CC(C)COC1C[NH+](CCCC(F)(F)F)C1 ZINC001474394743 987711811 /nfs/dbraw/zinc/71/18/11/987711811.db2.gz PIGASBZNRUFBJR-UHFFFAOYSA-N 1 2 239.281 2.686 20 0 BFADLO COc1ccc(SCC[NH2+]CC(F)F)cc1 ZINC001474508531 987740821 /nfs/dbraw/zinc/74/08/21/987740821.db2.gz KJCYPBFXBLXQLN-UHFFFAOYSA-N 1 2 247.310 2.642 20 0 BFADLO Fc1nccc(Cl)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC001474536245 987751625 /nfs/dbraw/zinc/75/16/25/987751625.db2.gz GCTKLUQVIIUEHN-LLVKDONJSA-N 1 2 240.709 2.858 20 0 BFADLO Fc1nccc(Cl)c1C[N@H+]1CC[C@@H]1C1CC1 ZINC001474536245 987751627 /nfs/dbraw/zinc/75/16/27/987751627.db2.gz GCTKLUQVIIUEHN-LLVKDONJSA-N 1 2 240.709 2.858 20 0 BFADLO COc1nsc(C[N@@H+]2C[C@H](C)[C@@H]2C)c1Cl ZINC001474551120 987755629 /nfs/dbraw/zinc/75/56/29/987755629.db2.gz VPSGRIPYFRMEOV-BQBZGAKWSA-N 1 2 246.763 2.645 20 0 BFADLO COc1nsc(C[N@H+]2C[C@H](C)[C@@H]2C)c1Cl ZINC001474551120 987755634 /nfs/dbraw/zinc/75/56/34/987755634.db2.gz VPSGRIPYFRMEOV-BQBZGAKWSA-N 1 2 246.763 2.645 20 0 BFADLO CC(C)CCCCCc1nnc(C[NH+](C)C)o1 ZINC001117260221 987813217 /nfs/dbraw/zinc/81/32/17/987813217.db2.gz GHURXEDNCSPGEN-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CCCCC[C@H](CCC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246458630 987817000 /nfs/dbraw/zinc/81/70/00/987817000.db2.gz HMXTVAWMMLMXQY-NWDGAFQWSA-N 1 2 248.361 2.932 20 0 BFADLO CCC1(NC(=O)[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001117800672 987927153 /nfs/dbraw/zinc/92/71/53/987927153.db2.gz WDUPYWSSFHKIJE-LBPRGKRZSA-N 1 2 249.358 2.673 20 0 BFADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2C)n(C)n1 ZINC001321709976 987976338 /nfs/dbraw/zinc/97/63/38/987976338.db2.gz PEESUOVDYZMPMB-GFCCVEGCSA-N 1 2 244.342 2.913 20 0 BFADLO c1[nH]cc(CCc2nc(C3CCCCC3)no2)[nH+]1 ZINC001322050546 988090023 /nfs/dbraw/zinc/09/00/23/988090023.db2.gz HGUNUGCRKQRQBT-UHFFFAOYSA-N 1 2 246.314 2.626 20 0 BFADLO C[C@@H](CC1CCCC1)c1nnc(C[NH+](C)C)o1 ZINC001322400572 988252149 /nfs/dbraw/zinc/25/21/49/988252149.db2.gz UGYOTUCSHQLUNO-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO CCCCC[C@H]([NH2+]Cc1ncn[nH]1)C(C)(C)C ZINC001118556917 988429678 /nfs/dbraw/zinc/42/96/78/988429678.db2.gz CFAVUFWCJHPAQP-NSHDSACASA-N 1 2 238.379 2.889 20 0 BFADLO C[C@H](SCCn1cc[nH+]c1)c1cccnc1 ZINC001323367225 988508860 /nfs/dbraw/zinc/50/88/60/988508860.db2.gz BVDPTKHWAXVOEN-NSHDSACASA-N 1 2 233.340 2.773 20 0 BFADLO CC1(C)CCC[C@@H]([N@@H+]2CC[C@H](N)C(F)(F)C2)C1 ZINC001246837059 988540378 /nfs/dbraw/zinc/54/03/78/988540378.db2.gz PHRNPFVATBFKTJ-MNOVXSKESA-N 1 2 246.345 2.624 20 0 BFADLO CC1(C)CCC[C@@H]([N@H+]2CC[C@H](N)C(F)(F)C2)C1 ZINC001246837059 988540387 /nfs/dbraw/zinc/54/03/87/988540387.db2.gz PHRNPFVATBFKTJ-MNOVXSKESA-N 1 2 246.345 2.624 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC(C)(C)C2(C)C)o1 ZINC001323580242 988555318 /nfs/dbraw/zinc/55/53/18/988555318.db2.gz RWJCLHWQKWSFKS-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC(C)(C)C2(C)C)o1 ZINC001323580242 988555328 /nfs/dbraw/zinc/55/53/28/988555328.db2.gz RWJCLHWQKWSFKS-UHFFFAOYSA-N 1 2 237.347 2.813 20 0 BFADLO CCc1ccc(N2CCS[C@H](C)CC2)[nH+]c1 ZINC001515704046 989102859 /nfs/dbraw/zinc/10/28/59/989102859.db2.gz WPXAEIVOSBFZBM-LLVKDONJSA-N 1 2 236.384 2.976 20 0 BFADLO C[N@H+](Cc1c2ccoc2ccc1F)C1(C)COC1 ZINC001248541465 989116646 /nfs/dbraw/zinc/11/66/46/989116646.db2.gz BSOKWWQUFQIUTH-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO C[N@@H+](Cc1c2ccoc2ccc1F)C1(C)COC1 ZINC001248541465 989116653 /nfs/dbraw/zinc/11/66/53/989116653.db2.gz BSOKWWQUFQIUTH-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO CC(C)(COC(=O)C=C1CCCC1)n1cc[nH+]c1 ZINC001515916552 989130702 /nfs/dbraw/zinc/13/07/02/989130702.db2.gz VALKDMAKOGVBSU-UHFFFAOYSA-N 1 2 248.326 2.662 20 0 BFADLO Fc1cc(C(F)(F)F)cnc1C[NH+]1CC=CC1 ZINC001248787102 989146924 /nfs/dbraw/zinc/14/69/24/989146924.db2.gz PNSBNKDFBQBIKS-UHFFFAOYSA-N 1 2 246.207 2.611 20 0 BFADLO CC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001325414416 989181402 /nfs/dbraw/zinc/18/14/02/989181402.db2.gz BLSNENUVIYQJIO-WCQYABFASA-N 1 2 249.358 2.529 20 0 BFADLO CC[C@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001325414417 989183220 /nfs/dbraw/zinc/18/32/20/989183220.db2.gz BLSNENUVIYQJIO-YPMHNXCESA-N 1 2 249.358 2.529 20 0 BFADLO Cn1c[nH+]cc1COC(=O)[C@H]1CCC=CCCC1 ZINC001517024510 989193831 /nfs/dbraw/zinc/19/38/31/989193831.db2.gz ZRJVDWIHEVMBOL-LBPRGKRZSA-N 1 2 248.326 2.600 20 0 BFADLO Cc1nc(C[NH+]2CC(C)(C)C2)ccc1Cl ZINC001248869473 989208006 /nfs/dbraw/zinc/20/80/06/989208006.db2.gz VERVYMUUEFPZLD-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO Cc1cc(C)nc(C[NH+]2CC3(C2)CCCCC3)n1 ZINC001248977347 989238565 /nfs/dbraw/zinc/23/85/65/989238565.db2.gz FCXAEFXGKUPRBR-UHFFFAOYSA-N 1 2 245.370 2.860 20 0 BFADLO CCSc1ccccc1C[N@H+](C)C1COC1 ZINC001249440033 989280831 /nfs/dbraw/zinc/28/08/31/989280831.db2.gz SMEVFIBWEJBTDV-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO CCSc1ccccc1C[N@@H+](C)C1COC1 ZINC001249440033 989280854 /nfs/dbraw/zinc/28/08/54/989280854.db2.gz SMEVFIBWEJBTDV-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO CC[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C1COC1 ZINC001249479219 989291494 /nfs/dbraw/zinc/29/14/94/989291494.db2.gz SZCMEVXUWLRHBY-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO CC[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C1COC1 ZINC001249479219 989291506 /nfs/dbraw/zinc/29/15/06/989291506.db2.gz SZCMEVXUWLRHBY-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO Cc1cc(C(F)(F)F)c(C[NH+]2CCC2)cn1 ZINC001249511727 989295224 /nfs/dbraw/zinc/29/52/24/989295224.db2.gz NCYAFWCRXOODSJ-UHFFFAOYSA-N 1 2 230.233 2.615 20 0 BFADLO C[NH+](C)Cc1nnc(C2(C)CCCCCC2)o1 ZINC001326084794 989371265 /nfs/dbraw/zinc/37/12/65/989371265.db2.gz SHUQUECELGSPPV-UHFFFAOYSA-N 1 2 237.347 2.743 20 0 BFADLO C/C(=C/c1nnc(C[NH+](C)C)o1)C(C)(C)C ZINC001326293303 989471483 /nfs/dbraw/zinc/47/14/83/989471483.db2.gz XVSYTWQPPWTYFF-CLFYSBASSA-N 1 2 223.320 2.581 20 0 BFADLO CC[C@H]1CC[C@H](c2nnc(C[NH+](C)C)o2)CC1 ZINC001326378146 989534039 /nfs/dbraw/zinc/53/40/39/989534039.db2.gz RZPFJZGCQWHZDE-XYPYZODXSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)[C@@H](Nc1cc(N)nc[nH+]1)c1ccccc1 ZINC001120778988 989875536 /nfs/dbraw/zinc/87/55/36/989875536.db2.gz VZSDOOSPPUSHEZ-CQSZACIVSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@@H](C)C2)[nH+]1 ZINC001120792481 989885741 /nfs/dbraw/zinc/88/57/41/989885741.db2.gz YGJVPXBJYZZSLF-SECBINFHSA-N 1 2 208.280 2.765 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@H](CF)C2)[nH+]1 ZINC001120958614 989990680 /nfs/dbraw/zinc/99/06/80/989990680.db2.gz YPCILQJWAQYBCF-SNVBAGLBSA-N 1 2 226.270 2.715 20 0 BFADLO CCNc1ccc(Nc2cc(C)nc(C)n2)c[nH+]1 ZINC001121039153 990004557 /nfs/dbraw/zinc/00/45/57/990004557.db2.gz MMYVPGLDVGQRSW-UHFFFAOYSA-N 1 2 243.314 2.664 20 0 BFADLO CC[C@H](F)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001525657715 990063966 /nfs/dbraw/zinc/06/39/66/990063966.db2.gz OXRUXJYFDPIGSW-LBPRGKRZSA-N 1 2 247.273 2.559 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1(C)CCCC1 ZINC001527007259 990198886 /nfs/dbraw/zinc/19/88/86/990198886.db2.gz IPIBUNSRRIRLNR-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO CC[C@@H](C)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123154786 990518649 /nfs/dbraw/zinc/51/86/49/990518649.db2.gz REIOSUUDBKSMKB-LLVKDONJSA-N 1 2 238.331 2.598 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001138370283 990924431 /nfs/dbraw/zinc/92/44/31/990924431.db2.gz BEIXGSWBZBCMHG-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001138370283 990924435 /nfs/dbraw/zinc/92/44/35/990924435.db2.gz BEIXGSWBZBCMHG-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138410017 990939571 /nfs/dbraw/zinc/93/95/71/990939571.db2.gz PJUGGKLUQCMBQP-UHFFFAOYSA-N 1 2 248.301 2.636 20 0 BFADLO CC(=O)C[N@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC001138410017 990939578 /nfs/dbraw/zinc/93/95/78/990939578.db2.gz PJUGGKLUQCMBQP-UHFFFAOYSA-N 1 2 248.301 2.636 20 0 BFADLO Cc1ccc2[nH]c(C[N@@H+]3CCO[C@H](C)C3)cc2c1 ZINC001138418257 990943489 /nfs/dbraw/zinc/94/34/89/990943489.db2.gz DSCLYQIEXCJEBG-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2[nH]c(C[N@H+]3CCO[C@H](C)C3)cc2c1 ZINC001138418257 990943492 /nfs/dbraw/zinc/94/34/92/990943492.db2.gz DSCLYQIEXCJEBG-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO CCCc1ccc(C[NH+]2CCC(=O)CC2)s1 ZINC001138523912 990968468 /nfs/dbraw/zinc/96/84/68/990968468.db2.gz RNFLPRVQOPOQPT-UHFFFAOYSA-N 1 2 237.368 2.866 20 0 BFADLO CCCCc1ccc(C[NH+]2CCOCC2)s1 ZINC001138755414 991023370 /nfs/dbraw/zinc/02/33/70/991023370.db2.gz UZDJYRGINFHKLF-UHFFFAOYSA-N 1 2 239.384 2.923 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc3occc3c2)CCC1=O ZINC001138822579 991073262 /nfs/dbraw/zinc/07/32/62/991073262.db2.gz KBICQMWDYWCVNT-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCC1=O ZINC001138822579 991073270 /nfs/dbraw/zinc/07/32/70/991073270.db2.gz KBICQMWDYWCVNT-NSHDSACASA-N 1 2 243.306 2.844 20 0 BFADLO CCCOc1ccccc1C[N@H+](CC)C1COC1 ZINC001139002361 991124778 /nfs/dbraw/zinc/12/47/78/991124778.db2.gz ZNRNBVKZOJGKPT-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@@H+](CC)C1COC1 ZINC001139002361 991124784 /nfs/dbraw/zinc/12/47/84/991124784.db2.gz ZNRNBVKZOJGKPT-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Clc1ccnc(Cl)c1C[NH+]1CCCC1 ZINC001139476948 991258975 /nfs/dbraw/zinc/25/89/75/991258975.db2.gz SNHWCCPVWTUKFD-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2CF)cnc1Cl ZINC001139545847 991266527 /nfs/dbraw/zinc/26/65/27/991266527.db2.gz LJXFXLQTTDWXRX-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2CF)cnc1Cl ZINC001139545847 991266543 /nfs/dbraw/zinc/26/65/43/991266543.db2.gz LJXFXLQTTDWXRX-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO FC1(F)COCC[N@H+](CC23CCC(CC2)C3)C1 ZINC001559887829 991307355 /nfs/dbraw/zinc/30/73/55/991307355.db2.gz YHFKDLMWXPUDQR-UHFFFAOYSA-N 1 2 245.313 2.534 20 0 BFADLO FC1(F)COCC[N@@H+](CC23CCC(CC2)C3)C1 ZINC001559887829 991307369 /nfs/dbraw/zinc/30/73/69/991307369.db2.gz YHFKDLMWXPUDQR-UHFFFAOYSA-N 1 2 245.313 2.534 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccccc1C(F)F ZINC001139795284 991371165 /nfs/dbraw/zinc/37/11/65/991371165.db2.gz DDBLAQOZDDZIIN-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccccc1C(F)F ZINC001139795284 991371175 /nfs/dbraw/zinc/37/11/75/991371175.db2.gz DDBLAQOZDDZIIN-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO CCCCC[C@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258446199 991388197 /nfs/dbraw/zinc/38/81/97/991388197.db2.gz ORDDXAKRSKZBTG-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258446199 991388205 /nfs/dbraw/zinc/38/82/05/991388205.db2.gz ORDDXAKRSKZBTG-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)nc1 ZINC001139839607 991394804 /nfs/dbraw/zinc/39/48/04/991394804.db2.gz KELFFEWKSRVLLS-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)nc1 ZINC001139839607 991394809 /nfs/dbraw/zinc/39/48/09/991394809.db2.gz KELFFEWKSRVLLS-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001139929074 991422458 /nfs/dbraw/zinc/42/24/58/991422458.db2.gz MDWSTHPMOGAHAL-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)cn1 ZINC001139929074 991422462 /nfs/dbraw/zinc/42/24/62/991422462.db2.gz MDWSTHPMOGAHAL-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)cn1 ZINC001139929073 991422803 /nfs/dbraw/zinc/42/28/03/991422803.db2.gz MDWSTHPMOGAHAL-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)cn1 ZINC001139929073 991422810 /nfs/dbraw/zinc/42/28/10/991422810.db2.gz MDWSTHPMOGAHAL-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ncccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001202987293 991423298 /nfs/dbraw/zinc/42/32/98/991423298.db2.gz WQCVKFSCCNJYOL-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1nc2c(s1)C[N@@H+]([C@@H](C)CC1CC1)C2 ZINC001258469592 991436609 /nfs/dbraw/zinc/43/66/09/991436609.db2.gz FSPJZAOWFMMETM-QMMMGPOBSA-N 1 2 222.357 2.956 20 0 BFADLO Cc1nc2c(s1)C[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258469592 991436615 /nfs/dbraw/zinc/43/66/15/991436615.db2.gz FSPJZAOWFMMETM-QMMMGPOBSA-N 1 2 222.357 2.956 20 0 BFADLO CC1(C)CC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258602506 991508446 /nfs/dbraw/zinc/50/84/46/991508446.db2.gz LWMRPNKCIRSYIR-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO CC1(C)CC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258602506 991508460 /nfs/dbraw/zinc/50/84/60/991508460.db2.gz LWMRPNKCIRSYIR-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO Clc1ccc2[nH]c(NCc3cc[nH]n3)[nH+]c2c1 ZINC001560578736 991508992 /nfs/dbraw/zinc/50/89/92/991508992.db2.gz GDZVHWJDYXOHJQ-UHFFFAOYSA-N 1 2 247.689 2.552 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(O)cc2Cl)C[C@@H]1F ZINC001140081029 991515557 /nfs/dbraw/zinc/51/55/57/991515557.db2.gz BAPCRVWOIYSPLT-PELKAZGASA-N 1 2 243.709 2.835 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2Cl)C[C@@H]1F ZINC001140081029 991515570 /nfs/dbraw/zinc/51/55/70/991515570.db2.gz BAPCRVWOIYSPLT-PELKAZGASA-N 1 2 243.709 2.835 20 0 BFADLO CCCn1c[nH+]cc1CN1Cc2ccccc2C1 ZINC001560654211 991542833 /nfs/dbraw/zinc/54/28/33/991542833.db2.gz GOGYILNFTQEIPR-UHFFFAOYSA-N 1 2 241.338 2.809 20 0 BFADLO Cc1ccc2[nH]nc(C[N@H+]3C[C@@H](F)C[C@H]3C)c2c1 ZINC001140328877 991604073 /nfs/dbraw/zinc/60/40/73/991604073.db2.gz NHLJKMSDRHNVCZ-MNOVXSKESA-N 1 2 247.317 2.804 20 0 BFADLO Cc1ccc2[nH]nc(C[N@@H+]3C[C@@H](F)C[C@H]3C)c2c1 ZINC001140328877 991604080 /nfs/dbraw/zinc/60/40/80/991604080.db2.gz NHLJKMSDRHNVCZ-MNOVXSKESA-N 1 2 247.317 2.804 20 0 BFADLO Cc1ccc2[nH]nc(C[N@H+]3C[C@@H](C)[C@@H](F)C3)c2c1 ZINC001140328479 991606844 /nfs/dbraw/zinc/60/68/44/991606844.db2.gz DZSWAEDFARLLHK-PWSUYJOCSA-N 1 2 247.317 2.661 20 0 BFADLO Cc1ccc2[nH]nc(C[N@@H+]3C[C@@H](C)[C@@H](F)C3)c2c1 ZINC001140328479 991606850 /nfs/dbraw/zinc/60/68/50/991606850.db2.gz DZSWAEDFARLLHK-PWSUYJOCSA-N 1 2 247.317 2.661 20 0 BFADLO Cc1ccc2[nH]nc(C[N@@H+]3CCC[C@@H]3CF)c2c1 ZINC001140332331 991611695 /nfs/dbraw/zinc/61/16/95/991611695.db2.gz UOSYIYSTVLXGGT-LLVKDONJSA-N 1 2 247.317 2.805 20 0 BFADLO Cc1ccc2[nH]nc(C[N@H+]3CCC[C@@H]3CF)c2c1 ZINC001140332331 991611697 /nfs/dbraw/zinc/61/16/97/991611697.db2.gz UOSYIYSTVLXGGT-LLVKDONJSA-N 1 2 247.317 2.805 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC001560830847 991616202 /nfs/dbraw/zinc/61/62/02/991616202.db2.gz AHMBVILFOSAKBY-VXGBXAGGSA-N 1 2 244.342 2.710 20 0 BFADLO Cc1ccc(Cl)nc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001140440583 991637638 /nfs/dbraw/zinc/63/76/38/991637638.db2.gz AKZLGXKDPGCIBC-NXEZZACHSA-N 1 2 242.725 2.976 20 0 BFADLO Cc1ccc(Cl)nc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001140440583 991637649 /nfs/dbraw/zinc/63/76/49/991637649.db2.gz AKZLGXKDPGCIBC-NXEZZACHSA-N 1 2 242.725 2.976 20 0 BFADLO C[C@@H](C(=O)NC1CCC(C)(C)CC1)n1cc[nH+]c1 ZINC001318688101 991699999 /nfs/dbraw/zinc/69/99/99/991699999.db2.gz DUMKGRCLOVRAIR-NSHDSACASA-N 1 2 249.358 2.529 20 0 BFADLO CCCC[C@@H](CCC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258767852 991732875 /nfs/dbraw/zinc/73/28/75/991732875.db2.gz YFKRLZILHPSTFP-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO CCCC[C@@H](CCC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258767852 991732878 /nfs/dbraw/zinc/73/28/78/991732878.db2.gz YFKRLZILHPSTFP-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO CO[C@H]1CCN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001319044019 991773121 /nfs/dbraw/zinc/77/31/21/991773121.db2.gz ANPFSQGWSRYGFW-LBPRGKRZSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1cc(F)cc(NC(=O)[C@H](C)n2cc[nH+]c2)c1 ZINC001319292622 991834110 /nfs/dbraw/zinc/83/41/10/991834110.db2.gz QKIVVWWUIHIRTI-JTQLQIEISA-N 1 2 247.273 2.530 20 0 BFADLO Cc1ccnc(CSCCn2cc[nH+]c2)c1 ZINC001320814691 992371701 /nfs/dbraw/zinc/37/17/01/992371701.db2.gz CWICJKMDSGTZAZ-UHFFFAOYSA-N 1 2 233.340 2.520 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cnc(C2CC2)o1 ZINC001261828187 992527990 /nfs/dbraw/zinc/52/79/90/992527990.db2.gz BIWYURYBLQSFAA-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cnc(C2CC2)o1 ZINC001261828187 992528000 /nfs/dbraw/zinc/52/80/00/992528000.db2.gz BIWYURYBLQSFAA-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO C[NH+](C)Cc1nnc([C@H]2[C@@H]3CCCCCC[C@@H]32)o1 ZINC001261835847 992532486 /nfs/dbraw/zinc/53/24/86/992532486.db2.gz HYXQFHNCPBSTMI-PJXYFTJBSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(Cn2c[nH+]c(C(C)(C)C)c2)on1 ZINC001261850323 992543873 /nfs/dbraw/zinc/54/38/73/992543873.db2.gz HRXPJDOWCKVHEF-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO COC(C)(C)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001262359535 992858581 /nfs/dbraw/zinc/85/85/81/992858581.db2.gz BUEBDNVHULTIBX-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(F)ncc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC001262364650 992861305 /nfs/dbraw/zinc/86/13/05/992861305.db2.gz DPQQHHRKVZWSDG-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cc(F)ncc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC001262364650 992861308 /nfs/dbraw/zinc/86/13/08/992861308.db2.gz DPQQHHRKVZWSDG-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO CCc1ccc(N2CCO[C@@](C)(CC)C2)[nH+]c1 ZINC001262693294 993033007 /nfs/dbraw/zinc/03/30/07/993033007.db2.gz KGAPXVOIDSLYLK-AWEZNQCLSA-N 1 2 234.343 2.649 20 0 BFADLO CCc1ccc(N2CCC(C(C)(C)O)CC2)[nH+]c1 ZINC001262703893 993046088 /nfs/dbraw/zinc/04/60/88/993046088.db2.gz AJMYKGSGPCRZMT-UHFFFAOYSA-N 1 2 248.370 2.631 20 0 BFADLO CCC[C@@H]([NH2+][C@H](CC)c1cn[nH]n1)C1CCC1 ZINC001576361365 993276323 /nfs/dbraw/zinc/27/63/23/993276323.db2.gz DFEVYCWHSNUIGZ-VXGBXAGGSA-N 1 2 236.363 2.814 20 0 BFADLO CCC[C@@H]([NH2+][C@H](CC)c1c[nH]nn1)C1CCC1 ZINC001576361365 993276333 /nfs/dbraw/zinc/27/63/33/993276333.db2.gz DFEVYCWHSNUIGZ-VXGBXAGGSA-N 1 2 236.363 2.814 20 0 BFADLO Cc1cc(NC2(CO)CCC2)[nH+]c2ccccc12 ZINC000385211534 993654295 /nfs/dbraw/zinc/65/42/95/993654295.db2.gz JUOUENBHKNASKX-UHFFFAOYSA-N 1 2 242.322 2.870 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H](F)C(C)C)c(C)[nH+]1 ZINC001264804774 993763940 /nfs/dbraw/zinc/76/39/40/993763940.db2.gz UNHVOFDSOJRULU-NSHDSACASA-N 1 2 238.306 2.939 20 0 BFADLO CCc1cc(N[C@@H]2CCCOCC2)nc(CC)[nH+]1 ZINC001333738165 994508206 /nfs/dbraw/zinc/50/82/06/994508206.db2.gz ZPOLYHZVJJAROQ-GFCCVEGCSA-N 1 2 249.358 2.582 20 0 BFADLO Cc1cc(NC[C@@H]2CCOC2)nc(C2CCC2)[nH+]1 ZINC001335415718 994767660 /nfs/dbraw/zinc/76/76/60/994767660.db2.gz DGCGBHDXHGYRQH-NSHDSACASA-N 1 2 247.342 2.501 20 0 BFADLO CCc1ccc(N2CC3(CCC3)OC[C@@H]2C)[nH+]c1 ZINC001336693759 995081362 /nfs/dbraw/zinc/08/13/62/995081362.db2.gz UDBFOLYKHVJZFG-LBPRGKRZSA-N 1 2 246.354 2.792 20 0 BFADLO Cc1cc(N2CC[C@H](CF)C2)nc(C2CCC2)[nH+]1 ZINC001336825357 995108526 /nfs/dbraw/zinc/10/85/26/995108526.db2.gz GOZHMIWZNOAFBT-LLVKDONJSA-N 1 2 249.333 2.848 20 0 BFADLO CCc1cn(C[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC001307397739 995342867 /nfs/dbraw/zinc/34/28/67/995342867.db2.gz TZIHFZZQLQEACP-SECBINFHSA-N 1 2 214.259 2.881 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)CC1=NOCC1 ZINC001307417364 995351926 /nfs/dbraw/zinc/35/19/26/995351926.db2.gz AZQRSRRDLDMXQG-SNVBAGLBSA-N 1 2 236.290 2.595 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)CC1=NOCC1 ZINC001307417364 995351931 /nfs/dbraw/zinc/35/19/31/995351931.db2.gz AZQRSRRDLDMXQG-SNVBAGLBSA-N 1 2 236.290 2.595 20 0 BFADLO CC1(C)OCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000296428758 398138297 /nfs/dbraw/zinc/13/82/97/398138297.db2.gz YEMMHWLTNFWDAX-CYBMUJFWSA-N 1 2 243.310 2.609 20 0 BFADLO FC(F)O[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000336910180 398138666 /nfs/dbraw/zinc/13/86/66/398138666.db2.gz IDHUMIYTVLLLJO-IUCAKERBSA-N 1 2 228.242 2.654 20 0 BFADLO Clc1ccccc1CCn1cc[nH+]c1 ZINC000058906901 136210419 /nfs/dbraw/zinc/21/04/19/136210419.db2.gz AQVGFTICQFAYPJ-UHFFFAOYSA-N 1 2 206.676 2.779 20 0 BFADLO CCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389949063 398150866 /nfs/dbraw/zinc/15/08/66/398150866.db2.gz VWYBOCWVTNVZIV-VIFPVBQESA-N 1 2 229.270 2.829 20 0 BFADLO C[C@@H]([NH2+]C/C=C/c1ccccc1)C(F)F ZINC000389932538 398151010 /nfs/dbraw/zinc/15/10/10/398151010.db2.gz JPWIKTARRDLKCD-VHODGJRUSA-N 1 2 211.255 2.943 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3ccsc3C2)no1 ZINC000132530597 178003916 /nfs/dbraw/zinc/00/39/16/178003916.db2.gz QIHKLALREBUPFX-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cc(C[N@H+]2CCc3ccsc3C2)no1 ZINC000132530597 178003918 /nfs/dbraw/zinc/00/39/18/178003918.db2.gz QIHKLALREBUPFX-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccccc2Cl)no1 ZINC000006590296 178025958 /nfs/dbraw/zinc/02/59/58/178025958.db2.gz ITZMJOHDURIIEG-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccccc2Cl)on1 ZINC000044300930 178026406 /nfs/dbraw/zinc/02/64/06/178026406.db2.gz POARVEGCGSFIFP-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cc(COCc2[nH]cc[nH+]2)c(C)s1 ZINC000180056532 178049710 /nfs/dbraw/zinc/04/97/10/178049710.db2.gz TWBHHYBABGYDKL-UHFFFAOYSA-N 1 2 222.313 2.805 20 0 BFADLO Cc1cc(Cl)ccc1NCc1[nH+]ccn1C ZINC000049750706 178069255 /nfs/dbraw/zinc/06/92/55/178069255.db2.gz ZASPEYCFCRQWJA-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cnc(C2CC2)o1 ZINC000628120555 398166564 /nfs/dbraw/zinc/16/65/64/398166564.db2.gz SFGDBLGHIRZUEZ-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cnc(C2CC2)o1 ZINC000628120555 398166569 /nfs/dbraw/zinc/16/65/69/398166569.db2.gz SFGDBLGHIRZUEZ-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO Cc1cc(N2CCC[C@@H]2CF)nc(C2CC2)[nH+]1 ZINC000294006693 178114714 /nfs/dbraw/zinc/11/47/14/178114714.db2.gz JWPUXKOXOKOLCO-LLVKDONJSA-N 1 2 235.306 2.601 20 0 BFADLO CC[C@H]1C[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000342054300 398188303 /nfs/dbraw/zinc/18/83/03/398188303.db2.gz ZDZIWNKELZECII-JQWIXIFHSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc(F)ccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294202447 178091059 /nfs/dbraw/zinc/09/10/59/178091059.db2.gz SYZZIUZOUSQYMS-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc(N(C)C2CCCCCC2)nc[nH+]1 ZINC000301241324 178097633 /nfs/dbraw/zinc/09/76/33/178097633.db2.gz GHLVGXMEZHICGQ-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000360051690 178100301 /nfs/dbraw/zinc/10/03/01/178100301.db2.gz FUOBHBIMLSNDEJ-LLVKDONJSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N(CC2CC2)CC2CCC2)nc[nH+]1 ZINC000360250576 178101687 /nfs/dbraw/zinc/10/16/87/178101687.db2.gz PNISRIZNSYOWAK-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N(CCC(C)C)C2CC2)nc[nH+]1 ZINC000301266068 178102042 /nfs/dbraw/zinc/10/20/42/178102042.db2.gz MHBWBZICLRVLEY-UHFFFAOYSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N)nc(S[C@@H](C)C(C)C)[nH+]1 ZINC000307263595 178110096 /nfs/dbraw/zinc/11/00/96/178110096.db2.gz VTLGZUATBCQPEK-QMMMGPOBSA-N 1 2 211.334 2.504 20 0 BFADLO Cc1cc(N2CCCc3ccccc3C2)nc[nH+]1 ZINC000301285733 178116879 /nfs/dbraw/zinc/11/68/79/178116879.db2.gz VGLXEZBCYCXDIV-UHFFFAOYSA-N 1 2 239.322 2.738 20 0 BFADLO Cc1cc(N2CC[C@@]3(CC[C@H](C)C3)C2)nc[nH+]1 ZINC000302048098 178118093 /nfs/dbraw/zinc/11/80/93/178118093.db2.gz MBJQKVRZQNSRNW-SMDDNHRTSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2C[C@@H](C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000354352587 178120643 /nfs/dbraw/zinc/12/06/43/178120643.db2.gz ILLOYQAKTSOEGX-ONGXEEELSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(=O)C[C@@H]2C=CCC2)cc[nH+]1 ZINC000070888898 178132733 /nfs/dbraw/zinc/13/27/33/178132733.db2.gz LFYZRKNAVMPHSB-LLVKDONJSA-N 1 2 216.284 2.685 20 0 BFADLO Cc1cc(NC(=O)N(C)CC(C)(C)C)cc[nH+]1 ZINC000119618487 178136302 /nfs/dbraw/zinc/13/63/02/178136302.db2.gz NJLYDTGDPJOIQP-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO Cc1cc(NC(=O)N2C[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC000271179896 178137159 /nfs/dbraw/zinc/13/71/59/178137159.db2.gz ZUBRHAHPGDCYSL-AOOOYVTPSA-N 1 2 233.315 2.510 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C)Cc2ccno2)c1 ZINC000576338845 365569095 /nfs/dbraw/zinc/56/90/95/365569095.db2.gz ZJEBJXQDCPVHRU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccno2)c1 ZINC000576338845 365569097 /nfs/dbraw/zinc/56/90/97/365569097.db2.gz ZJEBJXQDCPVHRU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(NC[C@@H](C)CO)c2cccc(F)c2[nH+]1 ZINC000121986789 178164845 /nfs/dbraw/zinc/16/48/45/178164845.db2.gz HQKGJFCBOXAXMY-SECBINFHSA-N 1 2 248.301 2.723 20 0 BFADLO Cc1nsc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293679347 178149048 /nfs/dbraw/zinc/14/90/48/178149048.db2.gz KFMSQGRVRBYETP-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cc(NC/C=C/c2ccccc2)nc[nH+]1 ZINC000301245461 178152669 /nfs/dbraw/zinc/15/26/69/178152669.db2.gz PWVLOIDXOZMBCJ-VMPITWQZSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1nc(C)c(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000073069096 178152718 /nfs/dbraw/zinc/15/27/18/178152718.db2.gz FYLHYGXPBKFUKU-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cc(NC2CCC2)nc(C2CC2)[nH+]1 ZINC000265381652 178154410 /nfs/dbraw/zinc/15/44/10/178154410.db2.gz RBGMRCWSLSOTJJ-UHFFFAOYSA-N 1 2 203.289 2.627 20 0 BFADLO Cc1cc(NCCO[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000110212985 178161478 /nfs/dbraw/zinc/16/14/78/178161478.db2.gz QNWPVKGSPLLXFD-YPMHNXCESA-N 1 2 249.358 2.792 20 0 BFADLO Cc1cc(NCCOC(C)C)nc(C(C)C)[nH+]1 ZINC000168650234 178161826 /nfs/dbraw/zinc/16/18/26/178161826.db2.gz JOKIWPHIFVZRDO-UHFFFAOYSA-N 1 2 237.347 2.745 20 0 BFADLO Cc1cc(NC[C@@H]2CCCCO2)nc(C(C)C)[nH+]1 ZINC000042822446 178165137 /nfs/dbraw/zinc/16/51/37/178165137.db2.gz HKPMDCUNNQZHKB-LBPRGKRZSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(NCCn2cccc2)nc(C2CC2)[nH+]1 ZINC000267291225 178162738 /nfs/dbraw/zinc/16/27/38/178162738.db2.gz RJWXSOUHHUTHOG-UHFFFAOYSA-N 1 2 242.326 2.576 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000566064662 398212396 /nfs/dbraw/zinc/21/23/96/398212396.db2.gz VIWCAOWVGCSLQT-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000566064662 398212397 /nfs/dbraw/zinc/21/23/97/398212397.db2.gz VIWCAOWVGCSLQT-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1cc(NCCc2ccc(F)c(F)c2)nc[nH+]1 ZINC000302756485 178163792 /nfs/dbraw/zinc/16/37/92/178163792.db2.gz IUHOQKYIHSEKGU-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccco2)o1 ZINC000075674405 398225821 /nfs/dbraw/zinc/22/58/21/398225821.db2.gz AJIGUMYTUPQNNX-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccco2)o1 ZINC000075674405 398225827 /nfs/dbraw/zinc/22/58/27/398225827.db2.gz AJIGUMYTUPQNNX-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(NCc2ccc(C)c(F)c2)nc[nH+]1 ZINC000301257346 178171520 /nfs/dbraw/zinc/17/15/20/178171520.db2.gz RHUQZKJKZVOFEE-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO Cc1nocc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000293263415 178175913 /nfs/dbraw/zinc/17/59/13/178175913.db2.gz NACSKMRWDYGMTJ-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1cc(N[C@@H](C)CCc2ccco2)nc[nH+]1 ZINC000049568946 178178638 /nfs/dbraw/zinc/17/86/38/178178638.db2.gz DVXABXURQOTLQC-JTQLQIEISA-N 1 2 231.299 2.811 20 0 BFADLO Cc1cc(N[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000040431427 178178781 /nfs/dbraw/zinc/17/87/81/178178781.db2.gz QPUCXDNXDXOBOZ-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO Cc1cc(N[C@@H](C)c2cn[nH]c2)nc(C2CC2)[nH+]1 ZINC000270245033 178179750 /nfs/dbraw/zinc/17/97/50/178179750.db2.gz QZBCCAHMFPUKGI-VIFPVBQESA-N 1 2 243.314 2.559 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@H](CC(C)C)C2)nc[nH+]1 ZINC000346206057 178182027 /nfs/dbraw/zinc/18/20/27/178182027.db2.gz IGTPUTYVZFFRNN-CHWSQXEVSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H](O)C2)c2cccc(F)c2[nH+]1 ZINC000295136038 178184223 /nfs/dbraw/zinc/18/42/23/178184223.db2.gz DBDBPPPXWPSYRG-AOOOYVTPSA-N 1 2 246.285 2.618 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000052291361 178184635 /nfs/dbraw/zinc/18/46/35/178184635.db2.gz FSXMRGDGMHDKPO-WCBMZHEXSA-N 1 2 205.305 2.729 20 0 BFADLO Cc1cc(N[C@H](C)CCc2cccn2C)nc[nH+]1 ZINC000301437757 178185651 /nfs/dbraw/zinc/18/56/51/178185651.db2.gz HWNATVOSLCRVQU-LLVKDONJSA-N 1 2 244.342 2.557 20 0 BFADLO Cc1cc(N[C@H]2CCCC(F)(F)C2)nc[nH+]1 ZINC000309841616 178188257 /nfs/dbraw/zinc/18/82/57/178188257.db2.gz DNNIAFKOJRSUNE-VIFPVBQESA-N 1 2 227.258 2.775 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@H]2C)ccc1[NH+](C)C ZINC000195083317 178189809 /nfs/dbraw/zinc/18/98/09/178189809.db2.gz AXFOMDXKOUDZTL-OCCSQVGLSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc([NH2+][C@H]2CCOC[C@H]2C)ccc1N(C)C ZINC000195083317 178189810 /nfs/dbraw/zinc/18/98/10/178189810.db2.gz AXFOMDXKOUDZTL-OCCSQVGLSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(Nc2cnn(CC(C)C)c2)nc(C)[nH+]1 ZINC000132980001 178193316 /nfs/dbraw/zinc/19/33/16/178193316.db2.gz XKQZPTMZPLXYCU-UHFFFAOYSA-N 1 2 245.330 2.690 20 0 BFADLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000334195628 136224041 /nfs/dbraw/zinc/22/40/41/136224041.db2.gz KQXKNVZBKPIBQZ-SECBINFHSA-N 1 2 242.706 2.823 20 0 BFADLO NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)o1 ZINC000334195628 136224042 /nfs/dbraw/zinc/22/40/42/136224042.db2.gz KQXKNVZBKPIBQZ-SECBINFHSA-N 1 2 242.706 2.823 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000342838544 136224758 /nfs/dbraw/zinc/22/47/58/136224758.db2.gz PCTFXIMHSXMLDY-UHFFFAOYSA-N 1 2 247.264 2.574 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2csnn2)c(C)o1 ZINC000044729745 178228989 /nfs/dbraw/zinc/22/89/89/178228989.db2.gz BFWRXEBYRQMHAM-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CC1(C)Cc2cc(-c3[nH]cc[nH+]3)ccc2O1 ZINC000649429186 398230945 /nfs/dbraw/zinc/23/09/45/398230945.db2.gz QMZUWKUXIDNSPB-UHFFFAOYSA-N 1 2 214.268 2.790 20 0 BFADLO CC1(C)Cc2cc(-c3c[nH]c[nH+]3)ccc2O1 ZINC000649429075 398230982 /nfs/dbraw/zinc/23/09/82/398230982.db2.gz MPYUGBFFHOBXRM-UHFFFAOYSA-N 1 2 214.268 2.790 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)nn1C ZINC000337405574 178231929 /nfs/dbraw/zinc/23/19/29/178231929.db2.gz SGUDZEBZGLJDJF-NWDGAFQWSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000279095047 538935412 /nfs/dbraw/zinc/93/54/12/538935412.db2.gz URIUXXGJLWJNLI-SNVBAGLBSA-N 1 2 201.273 2.891 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nnc(C)o2)c(C)o1 ZINC000183794414 178253978 /nfs/dbraw/zinc/25/39/78/178253978.db2.gz DKEULDAVHOJSGE-IUCAKERBSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncccn2)ccc1F ZINC000361862514 178251608 /nfs/dbraw/zinc/25/16/08/178251608.db2.gz OFFGSQYUMOEEFM-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cccc(F)c2)no1 ZINC000282674655 178251761 /nfs/dbraw/zinc/25/17/61/178251761.db2.gz MZSLPPBTQBXGBW-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccsc2)no1 ZINC000279693924 178251803 /nfs/dbraw/zinc/25/18/03/178251803.db2.gz UVWPWTXYBMJEGX-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccccc2F)no1 ZINC000282709085 178251944 /nfs/dbraw/zinc/25/19/44/178251944.db2.gz PKSPTWDGVSWLHG-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncc(C)n2C)c(C)o1 ZINC000341052591 178252353 /nfs/dbraw/zinc/25/23/53/178252353.db2.gz TVEVTDPBHVJEAP-NSHDSACASA-N 1 2 247.342 2.789 20 0 BFADLO Cc1cc([C@H](C)NCc2[nH+]cc(C)n2C)c(C)o1 ZINC000341052591 178252355 /nfs/dbraw/zinc/25/23/55/178252355.db2.gz TVEVTDPBHVJEAP-NSHDSACASA-N 1 2 247.342 2.789 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccncc2F)no1 ZINC000340384417 178254184 /nfs/dbraw/zinc/25/41/84/178254184.db2.gz OHYVTXUGNZIUCJ-UWVGGRQHSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccnc2)no1 ZINC000283675663 178257965 /nfs/dbraw/zinc/25/79/65/178257965.db2.gz YQIBOQRNDCFYLG-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc(NCC2CCOCC2)nc(C2CC2)[nH+]1 ZINC000172014832 398238209 /nfs/dbraw/zinc/23/82/09/398238209.db2.gz GJYOEDWPMPLCQZ-UHFFFAOYSA-N 1 2 247.342 2.501 20 0 BFADLO Cn1ncc2c1nc[nH+]c2S[C@@H]1C=CCCC1 ZINC000076610255 398243480 /nfs/dbraw/zinc/24/34/80/398243480.db2.gz XYJUITTXINAYAA-SECBINFHSA-N 1 2 246.339 2.564 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@H](C)CCO ZINC000097442850 178298251 /nfs/dbraw/zinc/29/82/51/178298251.db2.gz UUEKAGNVUSKIRO-LLVKDONJSA-N 1 2 244.338 2.974 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)[C@@H](C)CO ZINC000122165290 178298630 /nfs/dbraw/zinc/29/86/30/178298630.db2.gz UZXJUSSBUUBAHW-NWDGAFQWSA-N 1 2 244.338 2.972 20 0 BFADLO CCc1cc(N)nc(S[C@@H]2C=CCCC2)[nH+]1 ZINC000309302960 259312115 /nfs/dbraw/zinc/31/21/15/259312115.db2.gz URIOBJSFKLCFCP-SNVBAGLBSA-N 1 2 235.356 2.822 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CCCc2occc21 ZINC000378739657 346819552 /nfs/dbraw/zinc/81/95/52/346819552.db2.gz IIRBUYOCJUCEAM-VIFPVBQESA-N 1 2 215.243 2.902 20 0 BFADLO Cc1nc(C(=O)Nc2cc[nH+]cc2C)c(C)s1 ZINC000178549762 538953604 /nfs/dbraw/zinc/95/36/04/538953604.db2.gz JHTVDQRPSFJNNL-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1=CCCCC1 ZINC000649468993 398268010 /nfs/dbraw/zinc/26/80/10/398268010.db2.gz SMLXOXQASGVODX-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1=CCCCC1 ZINC000649468993 398268015 /nfs/dbraw/zinc/26/80/15/398268015.db2.gz SMLXOXQASGVODX-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO CC(C)[N@H+](CCc1nccs1)CC(F)F ZINC000179051967 538954564 /nfs/dbraw/zinc/95/45/64/538954564.db2.gz FOAUIKMHNHYXMQ-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO CC(C)[N@@H+](CCc1nccs1)CC(F)F ZINC000179051967 538954566 /nfs/dbraw/zinc/95/45/66/538954566.db2.gz FOAUIKMHNHYXMQ-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO O[C@H]1C[N@H+](CCC2=CCCCC2)CC(F)(F)C1 ZINC000649473789 398272759 /nfs/dbraw/zinc/27/27/59/398272759.db2.gz IJTFFRDFYCUNHK-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO O[C@H]1C[N@@H+](CCC2=CCCCC2)CC(F)(F)C1 ZINC000649473789 398272761 /nfs/dbraw/zinc/27/27/61/398272761.db2.gz IJTFFRDFYCUNHK-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO CC(C)[C@@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000334666254 398272957 /nfs/dbraw/zinc/27/29/57/398272957.db2.gz INAOSKQPKHPIDZ-NSHDSACASA-N 1 2 217.316 2.589 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000176197762 365686734 /nfs/dbraw/zinc/68/67/34/365686734.db2.gz DTUHSYHUTRHLST-VXGBXAGGSA-N 1 2 230.311 2.683 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1c(C)cccc1C)C(C)C ZINC000083381186 398278376 /nfs/dbraw/zinc/27/83/76/398278376.db2.gz LTOAQSBDVAFNJG-AWEZNQCLSA-N 1 2 249.354 2.591 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2CCC2(C)C)cc(C)[nH+]1 ZINC000616363546 342721578 /nfs/dbraw/zinc/72/15/78/342721578.db2.gz XZQUQKZYTQBGEQ-ZDUSSCGKSA-N 1 2 246.354 2.751 20 0 BFADLO Clc1ccccc1NCc1c[nH+]c[nH]1 ZINC000054763278 398283107 /nfs/dbraw/zinc/28/31/07/398283107.db2.gz NBQGPWZLYVICOU-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO Clc1ccccc1NCc1c[nH]c[nH+]1 ZINC000054763278 398283110 /nfs/dbraw/zinc/28/31/10/398283110.db2.gz NBQGPWZLYVICOU-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000335291985 398284655 /nfs/dbraw/zinc/28/46/55/398284655.db2.gz MQSWWKLYDZLHAY-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000335291985 398284656 /nfs/dbraw/zinc/28/46/56/398284656.db2.gz MQSWWKLYDZLHAY-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1csc(C)n1 ZINC000126690778 398284749 /nfs/dbraw/zinc/28/47/49/398284749.db2.gz FDBKMKZDZXXSCW-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccnc1C ZINC000623679815 398290223 /nfs/dbraw/zinc/29/02/23/398290223.db2.gz KWKBMDZRJBFDIB-UHFFFAOYSA-N 1 2 214.259 2.525 20 0 BFADLO c1cc(NC[C@@H]2CCCC23CC3)nc(C2CC2)[nH+]1 ZINC000624756737 342825360 /nfs/dbraw/zinc/82/53/60/342825360.db2.gz GVVSCZMAMMCOAJ-LBPRGKRZSA-N 1 2 243.354 2.768 20 0 BFADLO Cc1cncc(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630052638 361920813 /nfs/dbraw/zinc/92/08/13/361920813.db2.gz IABHIVKNZATGJN-UHFFFAOYSA-N 1 2 215.300 2.914 20 0 BFADLO CO[C@H]1C[C@H](Nc2[nH+]ccc3ccc(F)cc32)C1 ZINC000624730519 342823435 /nfs/dbraw/zinc/82/34/35/342823435.db2.gz IFMLPZUBPOSXCD-HAQNSBGRSA-N 1 2 246.285 2.963 20 0 BFADLO Cc1nc(N2CC(Cc3cccs3)C2)cc[nH+]1 ZINC000624719534 342823599 /nfs/dbraw/zinc/82/35/99/342823599.db2.gz YTXJLUMYUXUGJI-UHFFFAOYSA-N 1 2 245.351 2.525 20 0 BFADLO CC1(CNc2cc3cc[nH]c3c[nH+]2)CC1 ZINC000379997417 538983283 /nfs/dbraw/zinc/98/32/83/538983283.db2.gz IVPSKYOLWFHEDB-UHFFFAOYSA-N 1 2 201.273 2.775 20 0 BFADLO FC(F)C1([NH2+]Cc2ccccn2)CCCC1 ZINC000381478407 539001581 /nfs/dbraw/zinc/00/15/81/539001581.db2.gz BGHHOGKUWUPKLJ-UHFFFAOYSA-N 1 2 226.270 2.749 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000381485043 539002378 /nfs/dbraw/zinc/00/23/78/539002378.db2.gz UWGBTTBRALUCJB-GMSGAONNSA-N 1 2 229.274 2.557 20 0 BFADLO Cc1c(C(=O)Nc2ccc(C)[nH+]c2C)ccn1C ZINC000195306325 539010549 /nfs/dbraw/zinc/01/05/49/539010549.db2.gz WHGHHHPVLPDPER-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Oc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000381298801 538997691 /nfs/dbraw/zinc/99/76/91/538997691.db2.gz BVMYOTWSFBFGFR-LLVKDONJSA-N 1 2 227.254 2.670 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000381330132 538998089 /nfs/dbraw/zinc/99/80/89/538998089.db2.gz STPMZQVJYIIYBC-IONNQARKSA-N 1 2 229.274 2.557 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000381330131 538998355 /nfs/dbraw/zinc/99/83/55/538998355.db2.gz STPMZQVJYIIYBC-CBAPKCEASA-N 1 2 229.274 2.557 20 0 BFADLO COc1ccc(N[C@@H](C(C)C)C2CC2)[nH+]c1 ZINC000381369124 538999308 /nfs/dbraw/zinc/99/93/08/538999308.db2.gz HRUMBGKTWVMWBR-ZDUSSCGKSA-N 1 2 220.316 2.937 20 0 BFADLO CCc1cc(NCC2(CC(C)C)CC2)nc[nH+]1 ZINC000391917320 539027976 /nfs/dbraw/zinc/02/79/76/539027976.db2.gz OINSPFKKZPITMI-UHFFFAOYSA-N 1 2 233.359 2.699 20 0 BFADLO CC[C@H](NC(=O)Nc1cc[nH+]cc1C)C(C)(C)C ZINC000348849605 136242026 /nfs/dbraw/zinc/24/20/26/136242026.db2.gz UFKSTRYAJVSVED-LBPRGKRZSA-N 1 2 249.358 2.758 20 0 BFADLO CC(C)[C@@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625062341 342847680 /nfs/dbraw/zinc/84/76/80/342847680.db2.gz YGKSRLWFGSGUNY-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)[C@@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625062341 342847681 /nfs/dbraw/zinc/84/76/81/342847681.db2.gz YGKSRLWFGSGUNY-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625075557 342848222 /nfs/dbraw/zinc/84/82/22/342848222.db2.gz AHKIQFSJGGTANM-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625075557 342848224 /nfs/dbraw/zinc/84/82/24/342848224.db2.gz AHKIQFSJGGTANM-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625075560 342848234 /nfs/dbraw/zinc/84/82/34/342848234.db2.gz AHKIQFSJGGTANM-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625075560 342848236 /nfs/dbraw/zinc/84/82/36/342848236.db2.gz AHKIQFSJGGTANM-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO Oc1ccc(Cl)c(C[NH+]2CCSCC2)c1 ZINC000625082617 342848895 /nfs/dbraw/zinc/84/88/95/342848895.db2.gz MCZOENCLSDFTQM-UHFFFAOYSA-N 1 2 243.759 2.594 20 0 BFADLO CCC(C)(C)OCCNc1[nH+]cccc1OC ZINC000308511770 342853029 /nfs/dbraw/zinc/85/30/29/342853029.db2.gz IVNIOGGXPTVQHL-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO Fc1ccc(-c2cn3c([nH+]2)CCC3)c(F)c1 ZINC000059705756 342856643 /nfs/dbraw/zinc/85/66/43/342856643.db2.gz CBQAAOVVQBKISR-UHFFFAOYSA-N 1 2 220.222 2.775 20 0 BFADLO O=C(CC1CC1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000134825667 342895577 /nfs/dbraw/zinc/89/55/77/342895577.db2.gz QZFZZSHGXPWLLU-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2nnc(C)o2)cs1 ZINC000584002170 342899622 /nfs/dbraw/zinc/89/96/22/342899622.db2.gz OHJGCDRGGYTKNP-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CC(C)N(C)c1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631052688 398312993 /nfs/dbraw/zinc/31/29/93/398312993.db2.gz DWTOOWRUCOYCGQ-UHFFFAOYSA-N 1 2 230.315 2.680 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203291 342909438 /nfs/dbraw/zinc/90/94/38/342909438.db2.gz HTRDLEBVVWQVGJ-MNOVXSKESA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625203291 342909439 /nfs/dbraw/zinc/90/94/39/342909439.db2.gz HTRDLEBVVWQVGJ-MNOVXSKESA-N 1 2 249.358 2.958 20 0 BFADLO C(c1noc(C2CCC2)n1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000625228626 342923198 /nfs/dbraw/zinc/92/31/98/342923198.db2.gz YRYMXJXJZOEJKW-RYUDHWBXSA-N 1 2 247.342 2.569 20 0 BFADLO C[C@H]([N@H+](C)Cc1noc(C2CCC2)n1)C1(C)CC1 ZINC000625217164 342917938 /nfs/dbraw/zinc/91/79/38/342917938.db2.gz MDXXLHVDOSGRDC-JTQLQIEISA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]([N@@H+](C)Cc1noc(C2CCC2)n1)C1(C)CC1 ZINC000625217164 342917939 /nfs/dbraw/zinc/91/79/39/342917939.db2.gz MDXXLHVDOSGRDC-JTQLQIEISA-N 1 2 249.358 2.958 20 0 BFADLO CCN(CC(F)F)c1cc(C)[nH+]c(C(C)C)n1 ZINC000302129018 398325266 /nfs/dbraw/zinc/32/52/66/398325266.db2.gz JLASSWYCGSWJDM-UHFFFAOYSA-N 1 2 243.301 3.000 20 0 BFADLO C[C@H]1C[C@@H]1C[N@H+](CCCO)c1ccccc1 ZINC000625224674 342921282 /nfs/dbraw/zinc/92/12/82/342921282.db2.gz MVWNRRPLUPTLTP-QWHCGFSZSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@H]1C[C@@H]1C[N@@H+](CCCO)c1ccccc1 ZINC000625224674 342921284 /nfs/dbraw/zinc/92/12/84/342921284.db2.gz MVWNRRPLUPTLTP-QWHCGFSZSA-N 1 2 219.328 2.531 20 0 BFADLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000505604226 529416430 /nfs/dbraw/zinc/41/64/30/529416430.db2.gz DWDATJWVYMXFCJ-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000505604226 529416432 /nfs/dbraw/zinc/41/64/32/529416432.db2.gz DWDATJWVYMXFCJ-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO CCc1ccc(CNc2c[nH+]cc(C)c2)cn1 ZINC000351621444 136248385 /nfs/dbraw/zinc/24/83/85/136248385.db2.gz YGZORKDQHYGJLF-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO C[N@H+](CCCCOC(C)(C)C)CC(F)F ZINC000354878480 398330922 /nfs/dbraw/zinc/33/09/22/398330922.db2.gz LBXDZEKKVAXVMQ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO C[N@@H+](CCCCOC(C)(C)C)CC(F)F ZINC000354878480 398330924 /nfs/dbraw/zinc/33/09/24/398330924.db2.gz LBXDZEKKVAXVMQ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CC1(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000576805035 365689927 /nfs/dbraw/zinc/68/99/27/365689927.db2.gz OEDORNIXNVASMC-AWEZNQCLSA-N 1 2 249.329 2.999 20 0 BFADLO CC1(C[N@H+]2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000576805035 365689933 /nfs/dbraw/zinc/68/99/33/365689933.db2.gz OEDORNIXNVASMC-AWEZNQCLSA-N 1 2 249.329 2.999 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)o1 ZINC000336143592 398344944 /nfs/dbraw/zinc/34/49/44/398344944.db2.gz ZBDABBGSBGSOHT-SKDRFNHKSA-N 1 2 231.299 2.580 20 0 BFADLO c1nc(C[NH2+]Cc2ccc3ccccc3n2)co1 ZINC000344478506 365690860 /nfs/dbraw/zinc/69/08/60/365690860.db2.gz AAQIVSWOIUVXAL-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCCSC ZINC000602829765 349766805 /nfs/dbraw/zinc/76/68/05/349766805.db2.gz VMBRJCOWCHYYAZ-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCCSC ZINC000602829765 349766806 /nfs/dbraw/zinc/76/68/06/349766806.db2.gz VMBRJCOWCHYYAZ-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO Cc1nc(C[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)co1 ZINC000625654144 344026990 /nfs/dbraw/zinc/02/69/90/344026990.db2.gz XOUZXFGCIAOHOL-IUCAKERBSA-N 1 2 244.285 2.706 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccccn2)s1 ZINC000067401800 362022190 /nfs/dbraw/zinc/02/21/90/362022190.db2.gz OGWISAIODTVLTR-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccccn2)s1 ZINC000067401800 362022192 /nfs/dbraw/zinc/02/21/92/362022192.db2.gz OGWISAIODTVLTR-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO c1cc(C[NH2+]Cc2cccc(C3CC3)c2)[nH]n1 ZINC000094519348 343156048 /nfs/dbraw/zinc/15/60/48/343156048.db2.gz KMXNLWNWLOEEOI-UHFFFAOYSA-N 1 2 227.311 2.577 20 0 BFADLO Cc1ccncc1C[NH2+][C@H](C)c1cscn1 ZINC000167240466 343209059 /nfs/dbraw/zinc/20/90/59/343209059.db2.gz UHTCBAMZZDTJJD-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1F ZINC000625332452 343237394 /nfs/dbraw/zinc/23/73/94/343237394.db2.gz GMECHPNJNGDTDK-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1F ZINC000625332452 343237396 /nfs/dbraw/zinc/23/73/96/343237396.db2.gz GMECHPNJNGDTDK-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000037085260 343333561 /nfs/dbraw/zinc/33/35/61/343333561.db2.gz KLIZIBGHFWBGLS-UHFFFAOYSA-N 1 2 249.354 2.653 20 0 BFADLO CC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982195 343329020 /nfs/dbraw/zinc/32/90/20/343329020.db2.gz PXIBOQUYYIWHDV-LLVKDONJSA-N 1 2 219.332 2.892 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2CCSC2)cc1 ZINC000036335238 343315972 /nfs/dbraw/zinc/31/59/72/343315972.db2.gz STRVJCWDCGBDBM-LLVKDONJSA-N 1 2 222.357 2.670 20 0 BFADLO CN(C)c1ccc([NH2+][C@@H]2CCSC2)cc1 ZINC000036335238 343315974 /nfs/dbraw/zinc/31/59/74/343315974.db2.gz STRVJCWDCGBDBM-LLVKDONJSA-N 1 2 222.357 2.670 20 0 BFADLO CC1=C(C)C[N@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625387036 343369035 /nfs/dbraw/zinc/36/90/35/343369035.db2.gz JRKPQDQSZLUOLF-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2noc(C3CCC3)n2)CC1 ZINC000625387036 343369036 /nfs/dbraw/zinc/36/90/36/343369036.db2.gz JRKPQDQSZLUOLF-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CCO[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000625394268 343377065 /nfs/dbraw/zinc/37/70/65/343377065.db2.gz QYBGWJDDPXZWHG-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000625394268 343377066 /nfs/dbraw/zinc/37/70/66/343377066.db2.gz QYBGWJDDPXZWHG-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000335665161 136316216 /nfs/dbraw/zinc/31/62/16/136316216.db2.gz CVRSPZBHWJAJGK-MRVPVSSYSA-N 1 2 217.671 2.867 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000335665161 136316217 /nfs/dbraw/zinc/31/62/17/136316217.db2.gz CVRSPZBHWJAJGK-MRVPVSSYSA-N 1 2 217.671 2.867 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000040465814 343404672 /nfs/dbraw/zinc/40/46/72/343404672.db2.gz ARQLHYUDNMREHZ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)no1 ZINC000040465814 343404675 /nfs/dbraw/zinc/40/46/75/343404675.db2.gz ARQLHYUDNMREHZ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO COC(=O)c1ccc2c(c1)C[N@@H+](CC=C(C)C)C2 ZINC000609312715 343406856 /nfs/dbraw/zinc/40/68/56/343406856.db2.gz LMYDQQWOLDOHCF-UHFFFAOYSA-N 1 2 245.322 2.755 20 0 BFADLO COC(=O)c1ccc2c(c1)C[N@H+](CC=C(C)C)C2 ZINC000609312715 343406858 /nfs/dbraw/zinc/40/68/58/343406858.db2.gz LMYDQQWOLDOHCF-UHFFFAOYSA-N 1 2 245.322 2.755 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)C(F)(F)F)c(C)[nH+]1 ZINC000335685898 136330249 /nfs/dbraw/zinc/33/02/49/136330249.db2.gz IATHTQYVQSIDAR-ZETCQYMHSA-N 1 2 246.232 2.835 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ccon1 ZINC000349249477 136333210 /nfs/dbraw/zinc/33/32/10/136333210.db2.gz XPMFUPSJJHXCFA-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO CCC1CN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631297601 343441780 /nfs/dbraw/zinc/44/17/80/343441780.db2.gz HNSCQINOGRXQOX-UHFFFAOYSA-N 1 2 242.326 2.682 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)CCOC)cc1 ZINC000045017375 343521210 /nfs/dbraw/zinc/52/12/10/343521210.db2.gz AQWRSQWZVBBYOF-LLVKDONJSA-N 1 2 223.316 2.922 20 0 BFADLO Cc1nc(N(C)Cc2ccco2)c(C)c(C)[nH+]1 ZINC000174420014 343710556 /nfs/dbraw/zinc/71/05/56/343710556.db2.gz GQRSQSCBAIYLAZ-UHFFFAOYSA-N 1 2 231.299 2.631 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574178 192364596 /nfs/dbraw/zinc/36/45/96/192364596.db2.gz DTQGNAITOWLIQR-MFKMUULPSA-N 1 2 248.370 2.997 20 0 BFADLO COc1ccc[nH+]c1NCc1ccoc1C ZINC000584219284 343773216 /nfs/dbraw/zinc/77/32/16/343773216.db2.gz ZYTPAOOIODXEPZ-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO COc1ccc[nH+]c1NCCCOC(C)(C)C ZINC000624396873 343752840 /nfs/dbraw/zinc/75/28/40/343752840.db2.gz HNCHSUBTPXNBLB-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000624398372 343752902 /nfs/dbraw/zinc/75/29/02/343752902.db2.gz DYOHHAOOKDXPIK-SDDRHHMPSA-N 1 2 232.327 2.938 20 0 BFADLO Oc1ccc(Cl)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000625458029 343860302 /nfs/dbraw/zinc/86/03/02/343860302.db2.gz RVOKOKLFUAULSI-VIFPVBQESA-N 1 2 229.682 2.589 20 0 BFADLO Oc1ccc(Cl)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000625458029 343860303 /nfs/dbraw/zinc/86/03/03/343860303.db2.gz RVOKOKLFUAULSI-VIFPVBQESA-N 1 2 229.682 2.589 20 0 BFADLO Cc1ccc(N[C@H]2CC[C@@H]2C2CC2)c[nH+]1 ZINC000336732182 537833138 /nfs/dbraw/zinc/83/31/38/537833138.db2.gz LJBRCDSWUWIZLI-OLZOCXBDSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000336729981 537833172 /nfs/dbraw/zinc/83/31/72/537833172.db2.gz JMYXHYUNRNKQPZ-CHWSQXEVSA-N 1 2 202.301 2.991 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccno1 ZINC000624491874 343910108 /nfs/dbraw/zinc/91/01/08/343910108.db2.gz KOGYDYBLTWGCCF-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccno1 ZINC000624491874 343910110 /nfs/dbraw/zinc/91/01/10/343910110.db2.gz KOGYDYBLTWGCCF-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO Cc1cc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)on1 ZINC000631141382 343939811 /nfs/dbraw/zinc/93/98/11/343939811.db2.gz GXGDASIVYWVZRT-IINYFYTJSA-N 1 2 244.294 2.595 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C)no2)o1 ZINC000631141312 343939838 /nfs/dbraw/zinc/93/98/38/343939838.db2.gz CQIQWJZQGRDHOE-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nc(C)c[nH]2)cc1 ZINC000628119524 343971416 /nfs/dbraw/zinc/97/14/16/343971416.db2.gz XWGIARAFFNTVSN-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nc(C)c[nH]2)cc1 ZINC000628119524 343971417 /nfs/dbraw/zinc/97/14/17/343971417.db2.gz XWGIARAFFNTVSN-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO c1cn(CCOC2CCCCCC2)c[nH+]1 ZINC000157383771 344043440 /nfs/dbraw/zinc/04/34/40/344043440.db2.gz CQPJLXIAJACYFO-UHFFFAOYSA-N 1 2 208.305 2.623 20 0 BFADLO Cc1c[nH]c(CN2CCCc3ccccc32)[nH+]1 ZINC000628118110 343967503 /nfs/dbraw/zinc/96/75/03/343967503.db2.gz HQNUQASGTRINMR-UHFFFAOYSA-N 1 2 227.311 2.671 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccccc2)[nH+]c1C ZINC000628116882 343967545 /nfs/dbraw/zinc/96/75/45/343967545.db2.gz ICWDHSDNTVDLGN-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)[nH]c1C ZINC000628116882 343967546 /nfs/dbraw/zinc/96/75/46/343967546.db2.gz ICWDHSDNTVDLGN-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2)[nH]c1C ZINC000628116882 343967548 /nfs/dbraw/zinc/96/75/48/343967548.db2.gz ICWDHSDNTVDLGN-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Oc1ccc2c(c1)C[N@@H+](CCC(F)(F)F)C2 ZINC000625727246 344058387 /nfs/dbraw/zinc/05/83/87/344058387.db2.gz SVMTUYQUCATJOE-UHFFFAOYSA-N 1 2 231.217 2.660 20 0 BFADLO Oc1ccc2c(c1)C[N@H+](CCC(F)(F)F)C2 ZINC000625727246 344058390 /nfs/dbraw/zinc/05/83/90/344058390.db2.gz SVMTUYQUCATJOE-UHFFFAOYSA-N 1 2 231.217 2.660 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2Cc3ccc(O)cc3C2)o1 ZINC000625728058 344059181 /nfs/dbraw/zinc/05/91/81/344059181.db2.gz UEKVOFRNCRRHIY-UHFFFAOYSA-N 1 2 244.294 2.513 20 0 BFADLO Cc1nc(C)c(C[N@H+]2Cc3ccc(O)cc3C2)o1 ZINC000625728058 344059183 /nfs/dbraw/zinc/05/91/83/344059183.db2.gz UEKVOFRNCRRHIY-UHFFFAOYSA-N 1 2 244.294 2.513 20 0 BFADLO COC[C@@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000130013450 344103984 /nfs/dbraw/zinc/10/39/84/344103984.db2.gz HXWBKXLXNHUDHK-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO Cc1noc(C[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000052684790 344116749 /nfs/dbraw/zinc/11/67/49/344116749.db2.gz RMOGMRGSDFUDBW-GFCCVEGCSA-N 1 2 249.339 2.680 20 0 BFADLO Cc1ccc(CNc2cc(CO)cc[nH+]2)s1 ZINC000641297030 362350064 /nfs/dbraw/zinc/35/00/64/362350064.db2.gz HOVIOMQYKBXODY-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)o1 ZINC000353036947 178631236 /nfs/dbraw/zinc/63/12/36/178631236.db2.gz ICVDYAZVRKKKBY-ZDUSSCGKSA-N 1 2 245.326 2.562 20 0 BFADLO C[C@@H](Cc1ccsc1)Nc1cc[nH+]cc1F ZINC000641304277 362353747 /nfs/dbraw/zinc/35/37/47/362353747.db2.gz OXIVJZOEKVTEPH-VIFPVBQESA-N 1 2 236.315 2.747 20 0 BFADLO CCCCC[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000080208948 344125904 /nfs/dbraw/zinc/12/59/04/344125904.db2.gz ZKEUXSUXNMSXDB-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@H]1c1ccccn1 ZINC000641306269 362355267 /nfs/dbraw/zinc/35/52/67/362355267.db2.gz GZOWUVFVPIRVOD-CQSZACIVSA-N 1 2 243.285 2.957 20 0 BFADLO CCC1(C[NH+]=c2[nH]c3cccc(F)c3n2C)CC1 ZINC000337031559 168468389 /nfs/dbraw/zinc/46/83/89/168468389.db2.gz YWTPESRDHARBGO-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@@H]2c2ccco2)nc[nH+]1 ZINC000631420929 344220153 /nfs/dbraw/zinc/22/01/53/344220153.db2.gz JHBXAVFHGAEMQW-ZDUSSCGKSA-N 1 2 243.310 2.966 20 0 BFADLO Cc1csc([C@@H](C)Nc2cc[nH+]cc2F)n1 ZINC000641336108 362367704 /nfs/dbraw/zinc/36/77/04/362367704.db2.gz BGXSDSVNSNCLBX-MRVPVSSYSA-N 1 2 237.303 2.581 20 0 BFADLO COc1ccc([C@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000171991689 344273301 /nfs/dbraw/zinc/27/33/01/344273301.db2.gz XENCAFYWECIGNS-NSHDSACASA-N 1 2 241.281 2.750 20 0 BFADLO COc1ccc([C@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000171991689 344273304 /nfs/dbraw/zinc/27/33/04/344273304.db2.gz XENCAFYWECIGNS-NSHDSACASA-N 1 2 241.281 2.750 20 0 BFADLO CC1(C)C[C@H](SCCCn2cc[nH+]c2)CO1 ZINC000600570547 344285235 /nfs/dbraw/zinc/28/52/35/344285235.db2.gz PMCPZVDBBFYYSA-NSHDSACASA-N 1 2 240.372 2.574 20 0 BFADLO CC[N@H+](Cc1cnc[nH]1)[C@@H](C)c1cccc(O)c1 ZINC000091975048 344287023 /nfs/dbraw/zinc/28/70/23/344287023.db2.gz OEZYRXBZGLACSG-NSHDSACASA-N 1 2 245.326 2.698 20 0 BFADLO CC[N@@H+](Cc1cnc[nH]1)[C@@H](C)c1cccc(O)c1 ZINC000091975048 344287026 /nfs/dbraw/zinc/28/70/26/344287026.db2.gz OEZYRXBZGLACSG-NSHDSACASA-N 1 2 245.326 2.698 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccon1 ZINC000091993018 344287511 /nfs/dbraw/zinc/28/75/11/344287511.db2.gz CHQODVUUXRSHJD-ZDUSSCGKSA-N 1 2 231.299 2.653 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccon1 ZINC000091993018 344287513 /nfs/dbraw/zinc/28/75/13/344287513.db2.gz CHQODVUUXRSHJD-ZDUSSCGKSA-N 1 2 231.299 2.653 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000600630389 344345435 /nfs/dbraw/zinc/34/54/35/344345435.db2.gz QAPDGHZGKSBDLN-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600630389 344345437 /nfs/dbraw/zinc/34/54/37/344345437.db2.gz QAPDGHZGKSBDLN-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)N(C)Cc1[nH]cc[nH+]1 ZINC000600630389 344345439 /nfs/dbraw/zinc/34/54/39/344345439.db2.gz QAPDGHZGKSBDLN-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)CCC2CCC2)[nH+]1 ZINC000584296761 344436307 /nfs/dbraw/zinc/43/63/07/344436307.db2.gz HQLKYZQMQAMTRZ-UHFFFAOYSA-N 1 2 249.358 2.650 20 0 BFADLO CC[C@H](C)C[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641401200 362394579 /nfs/dbraw/zinc/39/45/79/362394579.db2.gz IMJJGWXELFKLHO-WDEREUQCSA-N 1 2 222.332 2.811 20 0 BFADLO CCN(CC1CC1)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152217322 344493925 /nfs/dbraw/zinc/49/39/25/344493925.db2.gz WPTPKANOIMWRNB-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CC[C@H]3CCC[C@H]3C2)c1 ZINC000641401137 362395326 /nfs/dbraw/zinc/39/53/26/362395326.db2.gz XISNRJRVYFYRIM-HZSPNIEDSA-N 1 2 246.354 2.955 20 0 BFADLO C[C@H](CC(=O)N1CCCCC[C@@H]1C)n1cc[nH+]c1 ZINC000577518729 344534445 /nfs/dbraw/zinc/53/44/45/344534445.db2.gz JZRBVIKBTLGUKC-QWHCGFSZSA-N 1 2 249.358 2.625 20 0 BFADLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000259061070 344537773 /nfs/dbraw/zinc/53/77/73/344537773.db2.gz CQKZFKAOKAVHMR-NSHDSACASA-N 1 2 241.718 2.506 20 0 BFADLO Cc1ccc(F)c(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294067139 178678340 /nfs/dbraw/zinc/67/83/40/178678340.db2.gz KOBOYGLMGUDFNK-NSHDSACASA-N 1 2 231.274 2.888 20 0 BFADLO Fc1c[nH+]ccc1N1CCC(C(F)(F)F)CC1 ZINC000641405313 362397210 /nfs/dbraw/zinc/39/72/10/362397210.db2.gz VWSKLEIZZIGZKW-UHFFFAOYSA-N 1 2 248.223 2.999 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1 ZINC000641405118 362397601 /nfs/dbraw/zinc/39/76/01/362397601.db2.gz ZOGTWNUVXDSMND-DTORHVGOSA-N 1 2 226.320 2.551 20 0 BFADLO COC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045008373 344554681 /nfs/dbraw/zinc/55/46/81/344554681.db2.gz NDTKADGQDOJYHY-SECBINFHSA-N 1 2 241.718 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000045008373 344554682 /nfs/dbraw/zinc/55/46/82/344554682.db2.gz NDTKADGQDOJYHY-SECBINFHSA-N 1 2 241.718 2.506 20 0 BFADLO CC[C@H](Nc1cc[nH+]cc1F)c1c(C)noc1C ZINC000641464720 362435567 /nfs/dbraw/zinc/43/55/67/362435567.db2.gz WVSLQMAZCIWNGG-NSHDSACASA-N 1 2 249.289 2.811 20 0 BFADLO C[C@H]1CN(c2cc[nH+]cc2F)CC[C@@H]1C ZINC000641470084 362437430 /nfs/dbraw/zinc/43/74/30/362437430.db2.gz AAYYRLQYLAZVIW-UWVGGRQHSA-N 1 2 208.280 2.703 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]cc2F)C[C@H]1C ZINC000641470083 362437563 /nfs/dbraw/zinc/43/75/63/362437563.db2.gz AAYYRLQYLAZVIW-NXEZZACHSA-N 1 2 208.280 2.703 20 0 BFADLO [NH3+][C@H](c1nc(C2CCCC2)no1)c1ccccc1 ZINC000037756523 344579457 /nfs/dbraw/zinc/57/94/57/344579457.db2.gz NLMOXKAGJNXMPT-LBPRGKRZSA-N 1 2 243.310 2.775 20 0 BFADLO C[C@H](N(C)c1cc[nH+]cc1F)C1(C)CC1 ZINC000641425625 362407412 /nfs/dbraw/zinc/40/74/12/362407412.db2.gz KZQSDDPMJRQJAZ-VIFPVBQESA-N 1 2 208.280 2.846 20 0 BFADLO C[C@H]1CC[C@]2(CCN(c3cc(CO)cc[nH+]3)C2)C1 ZINC000641486474 362453761 /nfs/dbraw/zinc/45/37/61/362453761.db2.gz VNGAYUYNXOBZAI-WFASDCNBSA-N 1 2 246.354 2.590 20 0 BFADLO OCc1cc[nH+]c(NC2CCC3(CC3)CC2)c1 ZINC000641539054 362489217 /nfs/dbraw/zinc/48/92/17/362489217.db2.gz ZKCMJKVRODQLLH-UHFFFAOYSA-N 1 2 232.327 2.709 20 0 BFADLO Cc1cscc1CNc1cc(CO)cc[nH+]1 ZINC000641542447 362490028 /nfs/dbraw/zinc/49/00/28/362490028.db2.gz RWUATNQJVOIMMG-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO CCN(Cc1ccccn1)c1cccc[nH+]1 ZINC000113353317 344659208 /nfs/dbraw/zinc/65/92/08/344659208.db2.gz DYNULEWHKQGJAT-UHFFFAOYSA-N 1 2 213.284 2.503 20 0 BFADLO FCC[C@H]1C[N@H+](C/C=C/c2ccccc2)CCO1 ZINC000626000677 344661749 /nfs/dbraw/zinc/66/17/49/344661749.db2.gz WDNQEUWBVQKWBS-SZTZYQKNSA-N 1 2 249.329 2.760 20 0 BFADLO FCC[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCO1 ZINC000626000677 344661750 /nfs/dbraw/zinc/66/17/50/344661750.db2.gz WDNQEUWBVQKWBS-SZTZYQKNSA-N 1 2 249.329 2.760 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626017199 344673891 /nfs/dbraw/zinc/67/38/91/344673891.db2.gz BFHIHIBUPOUYQS-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000626017199 344673893 /nfs/dbraw/zinc/67/38/93/344673893.db2.gz BFHIHIBUPOUYQS-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1[C@H]1C=CCCC1 ZINC000626017299 344673913 /nfs/dbraw/zinc/67/39/13/344673913.db2.gz GWPSAWUJTAQRFB-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1[C@H]1C=CCCC1 ZINC000626017299 344673915 /nfs/dbraw/zinc/67/39/15/344673915.db2.gz GWPSAWUJTAQRFB-OUAUKWLOSA-N 1 2 249.276 2.747 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)[nH]1 ZINC000626103498 344740823 /nfs/dbraw/zinc/74/08/23/344740823.db2.gz CGNAPEBTEIOGGR-FZMZJTMJSA-N 1 2 248.374 2.693 20 0 BFADLO CC(C)c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)[nH]1 ZINC000626103498 344740826 /nfs/dbraw/zinc/74/08/26/344740826.db2.gz CGNAPEBTEIOGGR-FZMZJTMJSA-N 1 2 248.374 2.693 20 0 BFADLO CCCC[C@@H](CC)CC(=O)NCc1[nH]cc[nH+]1 ZINC000117258120 344743072 /nfs/dbraw/zinc/74/30/72/344743072.db2.gz OOUJIVKXAYMOEX-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCSCC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000603301159 349915844 /nfs/dbraw/zinc/91/58/44/349915844.db2.gz SZMQBLNKUXIXNF-SNVBAGLBSA-N 1 2 240.372 2.518 20 0 BFADLO Cc1c[nH+]cc(CCc2nc([C@@H]3C[C@@H]3C)no2)c1 ZINC000350538768 344710230 /nfs/dbraw/zinc/71/02/30/344710230.db2.gz WVWMRHVFYWVZCM-CMPLNLGQSA-N 1 2 243.310 2.682 20 0 BFADLO CO[C@@]1(C)C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000075064782 344764374 /nfs/dbraw/zinc/76/43/74/344764374.db2.gz FVZGNKPXDAKEJH-GWCFXTLKSA-N 1 2 220.316 2.697 20 0 BFADLO CO[C@]1(C)C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000075064779 344764565 /nfs/dbraw/zinc/76/45/65/344764565.db2.gz FVZGNKPXDAKEJH-ZWNOBZJWSA-N 1 2 220.316 2.697 20 0 BFADLO Cc1[nH]c(C(=O)NCCCCC2CCCC2)c[nH+]1 ZINC000075238535 344769385 /nfs/dbraw/zinc/76/93/85/344769385.db2.gz LEWKRZSUTKLFEL-UHFFFAOYSA-N 1 2 249.358 2.808 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2[nH]ccc21 ZINC000494100043 530025844 /nfs/dbraw/zinc/02/58/44/530025844.db2.gz VEPJRFODCIOQEU-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2[nH]ccc21 ZINC000494100043 530025845 /nfs/dbraw/zinc/02/58/45/530025845.db2.gz VEPJRFODCIOQEU-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO Cl/C=C/C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119248 344797401 /nfs/dbraw/zinc/79/74/01/344797401.db2.gz NPPZWZWIRSNRCZ-WXJAXGNASA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C/C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000076119248 344797403 /nfs/dbraw/zinc/79/74/03/344797403.db2.gz NPPZWZWIRSNRCZ-WXJAXGNASA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C/C[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119247 344797408 /nfs/dbraw/zinc/79/74/08/344797408.db2.gz NPPZWZWIRSNRCZ-LVDDQXARSA-N 1 2 237.730 2.812 20 0 BFADLO Cl/C=C/C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000076119247 344797411 /nfs/dbraw/zinc/79/74/11/344797411.db2.gz NPPZWZWIRSNRCZ-LVDDQXARSA-N 1 2 237.730 2.812 20 0 BFADLO CCCCN(Cc1[nH]cc(C)[nH+]1)CC(F)(F)F ZINC000628145854 344821352 /nfs/dbraw/zinc/82/13/52/344821352.db2.gz XHLVDLJNTMYFHL-UHFFFAOYSA-N 1 2 249.280 2.883 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cnc(C)o1 ZINC000628292128 347084161 /nfs/dbraw/zinc/08/41/61/347084161.db2.gz MEDANGRILKNFHQ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cnc(C)o1 ZINC000628292128 347084162 /nfs/dbraw/zinc/08/41/62/347084162.db2.gz MEDANGRILKNFHQ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1c[nH]c(C[N@H+](Cc2ccccn2)C(C)C)n1 ZINC000628149634 344836632 /nfs/dbraw/zinc/83/66/32/344836632.db2.gz HQIRDDISLFCGAD-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1c[nH]c(C[N@@H+](Cc2ccccn2)C(C)C)n1 ZINC000628149634 344836633 /nfs/dbraw/zinc/83/66/33/344836633.db2.gz HQIRDDISLFCGAD-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO CSCCCCCNc1cc[nH+]cc1F ZINC000603343684 349920264 /nfs/dbraw/zinc/92/02/64/349920264.db2.gz KCLATUYTNUVPDX-UHFFFAOYSA-N 1 2 228.336 2.588 20 0 BFADLO Cc1nc(N2CCC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000078413312 344864033 /nfs/dbraw/zinc/86/40/33/344864033.db2.gz HUFINYMALOGULZ-RYUDHWBXSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1[nH]c(CN2Cc3ccccc3C2)[nH+]c1C ZINC000628164347 344872342 /nfs/dbraw/zinc/87/23/42/344872342.db2.gz NEASKGIBDKOZKX-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO CC1(C)C[C@@H]1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120239488 344882720 /nfs/dbraw/zinc/88/27/20/344882720.db2.gz XIJHZSPXVKFHLJ-GHMZBOCLSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3cccc(F)c3C2)o1 ZINC000628177320 344905344 /nfs/dbraw/zinc/90/53/44/344905344.db2.gz UJGPSXJLICYBBS-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3cccc(F)c3C2)o1 ZINC000628177320 344905345 /nfs/dbraw/zinc/90/53/45/344905345.db2.gz UJGPSXJLICYBBS-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(F)ccc1COCc1[nH]cc[nH+]1 ZINC000182105235 347085205 /nfs/dbraw/zinc/08/52/05/347085205.db2.gz ZHIIGWIWWRRSOQ-UHFFFAOYSA-N 1 2 220.247 2.574 20 0 BFADLO Cc1c[nH]c(CN2CC[C@@H]2c2cccc(F)c2)[nH+]1 ZINC000628185688 344935498 /nfs/dbraw/zinc/93/54/98/344935498.db2.gz HYVUGUTXQLRMJG-CYBMUJFWSA-N 1 2 245.301 2.804 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N1CC[C@H](C)C1 ZINC000582033747 347085334 /nfs/dbraw/zinc/08/53/34/347085334.db2.gz SEGBQRUNOZSOKK-VIFPVBQESA-N 1 2 247.342 2.517 20 0 BFADLO Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)cn1 ZINC000294259321 178779772 /nfs/dbraw/zinc/77/97/72/178779772.db2.gz XEJSQKQOJFQARH-PWSUYJOCSA-N 1 2 228.299 2.704 20 0 BFADLO CC[C@H](C)CC[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000394407537 344976487 /nfs/dbraw/zinc/97/64/87/344976487.db2.gz MJDHHGXVAUMIIB-GXTWGEPZSA-N 1 2 249.354 2.927 20 0 BFADLO Cc1nc(C[NH2+]Cc2cnc(C3CC3)o2)cs1 ZINC000628201180 344974727 /nfs/dbraw/zinc/97/47/27/344974727.db2.gz VIMCVNDWBICSLI-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1F ZINC000448990353 201782743 /nfs/dbraw/zinc/78/27/43/201782743.db2.gz GWPDVBFGUBPHTJ-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cc(NCCC[C@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000154458896 345035429 /nfs/dbraw/zinc/03/54/29/345035429.db2.gz ZDHDDUQPMDAOFV-OLZOCXBDSA-N 1 2 249.358 2.528 20 0 BFADLO CCc1nnc(SCCc2cc[nH+]cc2C)o1 ZINC000641559918 362505330 /nfs/dbraw/zinc/50/53/30/362505330.db2.gz GFRDBASGWIRMSF-UHFFFAOYSA-N 1 2 249.339 2.670 20 0 BFADLO C[C@@]12CN(c3cc[nH+]cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000641617078 362550078 /nfs/dbraw/zinc/55/00/78/362550078.db2.gz ZJPOYOCXMBVCPH-ZAZJYDDPSA-N 1 2 244.313 2.869 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000641643975 362570970 /nfs/dbraw/zinc/57/09/70/362570970.db2.gz VLTUGTXBLZCMBS-UONOGXRCSA-N 1 2 246.354 2.955 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CSc3ccccc32)no1 ZINC000155883185 345109950 /nfs/dbraw/zinc/10/99/50/345109950.db2.gz NSCAQEMENXAKOZ-GFCCVEGCSA-N 1 2 246.335 2.920 20 0 BFADLO OCc1cc[nH+]c(N[C@@H](C2CC2)C2CCC2)c1 ZINC000641627490 362560801 /nfs/dbraw/zinc/56/08/01/362560801.db2.gz XIWWOUARLAICDR-CQSZACIVSA-N 1 2 232.327 2.565 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C(F)(F)F)cc[nH+]1 ZINC000080220862 345122934 /nfs/dbraw/zinc/12/29/34/345122934.db2.gz ORAZVWYEJCCDKY-ZETCQYMHSA-N 1 2 232.205 2.527 20 0 BFADLO CCN(Cc1occc1C)c1cc(CO)cc[nH+]1 ZINC000641635312 362565016 /nfs/dbraw/zinc/56/50/16/362565016.db2.gz BWRCOHIOLRGFPG-UHFFFAOYSA-N 1 2 246.310 2.502 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000156180849 345132477 /nfs/dbraw/zinc/13/24/77/345132477.db2.gz CBXAAGMDDLHAIG-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2ccc(Cl)cc2)[C@H]1C ZINC000156180849 345132480 /nfs/dbraw/zinc/13/24/80/345132480.db2.gz CBXAAGMDDLHAIG-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000156180732 345132562 /nfs/dbraw/zinc/13/25/62/345132562.db2.gz CBXAAGMDDLHAIG-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000156180732 345132563 /nfs/dbraw/zinc/13/25/63/345132563.db2.gz CBXAAGMDDLHAIG-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1ccon1 ZINC000634960032 345134127 /nfs/dbraw/zinc/13/41/27/345134127.db2.gz IIGGAVLCODDOSF-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO CCc1nc(C[N@H+](C)Cc2ccncc2)cs1 ZINC000130279911 345271837 /nfs/dbraw/zinc/27/18/37/345271837.db2.gz YGIKPYLWIDCXNF-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1nc(C[N@@H+](C)Cc2ccncc2)cs1 ZINC000130279911 345271839 /nfs/dbraw/zinc/27/18/39/345271839.db2.gz YGIKPYLWIDCXNF-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO Cc1nc(N[C@@H]2CC23CC3)c2c([nH+]1)CCCC2 ZINC000425277099 192086948 /nfs/dbraw/zinc/08/69/48/192086948.db2.gz XBRHVYZNYWIQOB-GFCCVEGCSA-N 1 2 229.327 2.628 20 0 BFADLO Cc1nc2[nH]ccc2c(NC(C2CC2)C2CC2)[nH+]1 ZINC000080945791 345453883 /nfs/dbraw/zinc/45/38/83/345453883.db2.gz OOBDHOGLMTZSJQ-UHFFFAOYSA-N 1 2 242.326 2.867 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC[C@@H]2C)[nH+]1 ZINC000080944785 345454286 /nfs/dbraw/zinc/45/42/86/345454286.db2.gz MNLAUTNMJMYWJC-VIFPVBQESA-N 1 2 230.315 2.645 20 0 BFADLO c1ccc(COCCNc2cccc[nH+]2)cc1 ZINC000080692784 345437162 /nfs/dbraw/zinc/43/71/62/345437162.db2.gz MPSQKUULNBMFOI-UHFFFAOYSA-N 1 2 228.295 2.710 20 0 BFADLO CCCCOCC[N@H+](CC(F)F)C(C)C ZINC000135415819 345440813 /nfs/dbraw/zinc/44/08/13/345440813.db2.gz YFATZUKIZKRIAJ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CCCCOCC[N@@H+](CC(F)F)C(C)C ZINC000135415819 345440816 /nfs/dbraw/zinc/44/08/16/345440816.db2.gz YFATZUKIZKRIAJ-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000080761996 345449427 /nfs/dbraw/zinc/44/94/27/345449427.db2.gz SHUIXCGZNPMNRG-NXEZZACHSA-N 1 2 244.342 2.749 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCCC2CC2)[nH+]1 ZINC000081000883 345458025 /nfs/dbraw/zinc/45/80/25/345458025.db2.gz GMYTWKCJILHYRN-UHFFFAOYSA-N 1 2 230.315 2.868 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCC(F)(F)F)[nH+]1 ZINC000081006369 345460679 /nfs/dbraw/zinc/46/06/79/345460679.db2.gz KSCKFKOAMFZWOP-UHFFFAOYSA-N 1 2 244.220 2.631 20 0 BFADLO CC(C)c1cc(N[C@@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000090139322 345571104 /nfs/dbraw/zinc/57/11/04/345571104.db2.gz AORGKHMHBNCSAD-LLVKDONJSA-N 1 2 249.358 2.924 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2F)o1 ZINC000090720362 345574509 /nfs/dbraw/zinc/57/45/09/345574509.db2.gz UYJZWWPTCKFYKJ-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(F)cn1 ZINC000090721461 345575645 /nfs/dbraw/zinc/57/56/45/345575645.db2.gz GSYZUSGKDCPPRR-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO COc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1F ZINC000159907391 345638775 /nfs/dbraw/zinc/63/87/75/345638775.db2.gz OQRICIJRUPUEHQ-VIFPVBQESA-N 1 2 249.289 2.741 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841702 345666191 /nfs/dbraw/zinc/66/61/91/345666191.db2.gz VPBKTTKXDNALOP-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1ccoc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000093841702 345666192 /nfs/dbraw/zinc/66/61/92/345666192.db2.gz VPBKTTKXDNALOP-AWEZNQCLSA-N 1 2 247.294 2.755 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cc(C)on2)o1 ZINC000641709496 362618365 /nfs/dbraw/zinc/61/83/65/362618365.db2.gz DLJFBAMJQUVBJF-UHFFFAOYSA-N 1 2 238.312 2.588 20 0 BFADLO C/C=C/C[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641679636 362600970 /nfs/dbraw/zinc/60/09/70/362600970.db2.gz ANITWBOOVIONRC-IBUXWKBASA-N 1 2 246.354 2.757 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COc1cnn(C)c1 ZINC000418937717 192089923 /nfs/dbraw/zinc/08/99/23/192089923.db2.gz PBGSCLYODOUVNQ-UHFFFAOYSA-N 1 2 245.326 2.826 20 0 BFADLO CC(C)=CCC[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000400838809 345815703 /nfs/dbraw/zinc/81/57/03/345815703.db2.gz HSIQNQHJWBDBBT-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO Cc1cc(NC[C@@H]2CC23CC3)nc(C(C)C)[nH+]1 ZINC000418982474 192090978 /nfs/dbraw/zinc/09/09/78/192090978.db2.gz AYPKRZLDWVZXME-NSHDSACASA-N 1 2 231.343 2.542 20 0 BFADLO COc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000258183534 345780998 /nfs/dbraw/zinc/78/09/98/345780998.db2.gz FEXFBFOWPXHOJG-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO Fc1ccc2[nH+]c(NCc3nccs3)[nH]c2c1 ZINC000236192077 537912318 /nfs/dbraw/zinc/91/23/18/537912318.db2.gz CRQNNEBFPUQPPL-UHFFFAOYSA-N 1 2 248.286 2.771 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(CC)[nH+]cn1 ZINC000603383111 349940825 /nfs/dbraw/zinc/94/08/25/349940825.db2.gz YCOFCGLHWKVIOB-SNVBAGLBSA-N 1 2 207.321 2.664 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000419016052 192094455 /nfs/dbraw/zinc/09/44/55/192094455.db2.gz LXWGHBMGRHNNNL-OUAUKWLOSA-N 1 2 246.358 2.532 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000419016052 192094457 /nfs/dbraw/zinc/09/44/57/192094457.db2.gz LXWGHBMGRHNNNL-OUAUKWLOSA-N 1 2 246.358 2.532 20 0 BFADLO CC[C@H](NC(=O)C1CCC=CCC1)c1[nH]cc[nH+]1 ZINC000635808465 346073659 /nfs/dbraw/zinc/07/36/59/346073659.db2.gz UYXOMWHVFCHCBH-LBPRGKRZSA-N 1 2 247.342 2.723 20 0 BFADLO COc1ccc(N[C@@H](C)C2CC(F)(F)C2)[nH+]c1 ZINC000628229558 346178580 /nfs/dbraw/zinc/17/85/80/346178580.db2.gz ZBXBOTDHADYQMV-QMMMGPOBSA-N 1 2 242.269 2.936 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)[C@@H](C)[C@@H]2C)[nH+]1 ZINC000419005249 192097631 /nfs/dbraw/zinc/09/76/31/192097631.db2.gz GBFDGIIXTTYIJV-AEJSXWLSSA-N 1 2 244.342 2.747 20 0 BFADLO Cc1c[nH]c(CN2C[C@H](C)Oc3ccccc32)[nH+]1 ZINC000628239283 346199941 /nfs/dbraw/zinc/19/99/41/346199941.db2.gz KIFFZWBKJMQUDS-NSHDSACASA-N 1 2 243.310 2.506 20 0 BFADLO C[C@]1(C[N@@H+]2CCC(F)(F)C2)CCCS1 ZINC000628231883 346184632 /nfs/dbraw/zinc/18/46/32/346184632.db2.gz FAOSMGWBFXSBQO-SECBINFHSA-N 1 2 221.316 2.613 20 0 BFADLO C[C@]1(C[N@H+]2CCC(F)(F)C2)CCCS1 ZINC000628231883 346184634 /nfs/dbraw/zinc/18/46/34/346184634.db2.gz FAOSMGWBFXSBQO-SECBINFHSA-N 1 2 221.316 2.613 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C[C@@H]1F ZINC000628234754 346188599 /nfs/dbraw/zinc/18/85/99/346188599.db2.gz LSOXFTLWTYLCEI-SKDRFNHKSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)o2)C[C@@H]1F ZINC000628234754 346188601 /nfs/dbraw/zinc/18/86/01/346188601.db2.gz LSOXFTLWTYLCEI-SKDRFNHKSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1c[nH]c(CN2CCc3cccc(C)c32)[nH+]1 ZINC000628235937 346189667 /nfs/dbraw/zinc/18/96/67/346189667.db2.gz JMHHHHTWQVFSIV-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO Cc1c[nH]c(CN2C[C@H](C)c3ccccc32)[nH+]1 ZINC000628235787 346189684 /nfs/dbraw/zinc/18/96/84/346189684.db2.gz BYTDSJDJAIVGHL-JTQLQIEISA-N 1 2 227.311 2.842 20 0 BFADLO Cc1ncc(CNc2c[nH+]c3c(c2)CCCC3)o1 ZINC000628236420 346191730 /nfs/dbraw/zinc/19/17/30/346191730.db2.gz AHVJLIVIRJTSRW-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C[N@H+](CCO)CC(F)F ZINC000628256279 346253973 /nfs/dbraw/zinc/25/39/73/346253973.db2.gz PZXPQDNWIGTFNM-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000628256279 346253976 /nfs/dbraw/zinc/25/39/76/346253976.db2.gz PZXPQDNWIGTFNM-VXGBXAGGSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1[nH]c(CN2CCc3cc(F)ccc32)[nH+]c1C ZINC000628264344 346263645 /nfs/dbraw/zinc/26/36/45/346263645.db2.gz KAXSFSUCEABYTN-UHFFFAOYSA-N 1 2 245.301 2.728 20 0 BFADLO C/C=C\C[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000626163834 346276057 /nfs/dbraw/zinc/27/60/57/346276057.db2.gz RGFVBPTXYMLEGJ-QUCGXOGASA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000626163834 346276060 /nfs/dbraw/zinc/27/60/60/346276060.db2.gz RGFVBPTXYMLEGJ-QUCGXOGASA-N 1 2 237.372 2.716 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628280842 346292336 /nfs/dbraw/zinc/29/23/36/346292336.db2.gz LJFYFGSHWQMPEV-CYBMUJFWSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628280842 346292338 /nfs/dbraw/zinc/29/23/38/346292338.db2.gz LJFYFGSHWQMPEV-CYBMUJFWSA-N 1 2 244.342 2.696 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)o1 ZINC000628283293 346295162 /nfs/dbraw/zinc/29/51/62/346295162.db2.gz NVCOJRUUXMMTMF-YMTOWFKASA-N 1 2 244.294 2.595 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2c3ccccc3O[C@@H]2C)o1 ZINC000628283291 346295273 /nfs/dbraw/zinc/29/52/73/346295273.db2.gz NVCOJRUUXMMTMF-OTYXRUKQSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1[nH]c(CN2CCC(F)(F)[C@@H](C)C2)[nH+]c1C ZINC000628285568 346296666 /nfs/dbraw/zinc/29/66/66/346296666.db2.gz YWQKESSCWHCHKW-QMMMGPOBSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)[nH]c1C ZINC000628285568 346296668 /nfs/dbraw/zinc/29/66/68/346296668.db2.gz YWQKESSCWHCHKW-QMMMGPOBSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)[nH]c1C ZINC000628285568 346296671 /nfs/dbraw/zinc/29/66/71/346296671.db2.gz YWQKESSCWHCHKW-QMMMGPOBSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1[nH]c(CN2CC(C)(C)[C@@H]2C2CC2)[nH+]c1C ZINC000628285714 346296949 /nfs/dbraw/zinc/29/69/49/346296949.db2.gz DIIYYKASKZKJSS-ZDUSSCGKSA-N 1 2 233.359 2.647 20 0 BFADLO Cc1cc(CNc2cc(CO)cc[nH+]2)cs1 ZINC000641762685 362694643 /nfs/dbraw/zinc/69/46/43/362694643.db2.gz RADHILWMERDVJR-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1cccc(CC(=O)Nc2cc[nH+]cc2C)c1 ZINC000107286293 179053139 /nfs/dbraw/zinc/05/31/39/179053139.db2.gz WMJXCIGUYNUCBF-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CC[C@H](C)[C@H](F)C1 ZINC000679220120 488317443 /nfs/dbraw/zinc/31/74/43/488317443.db2.gz COMNRKORPKLOCY-NWDGAFQWSA-N 1 2 239.338 2.644 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000641792659 362728932 /nfs/dbraw/zinc/72/89/32/362728932.db2.gz XYKCYTRJMGNMSB-RKDXNWHRSA-N 1 2 214.259 2.694 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)C(F)F ZINC000641795306 362736759 /nfs/dbraw/zinc/73/67/59/362736759.db2.gz WSTPAFLSLPEEBK-LURJTMIESA-N 1 2 236.212 2.762 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000641791878 362733235 /nfs/dbraw/zinc/73/32/35/362733235.db2.gz ONMKVYZMIIQVEK-BDAKNGLRSA-N 1 2 214.259 2.694 20 0 BFADLO C[C@@H]([NH2+]Cc1scnc1C1CC1)C(F)F ZINC000641793337 362735453 /nfs/dbraw/zinc/73/54/53/362735453.db2.gz IZQUHRIRPBDHOH-ZCFIWIBFSA-N 1 2 232.299 2.764 20 0 BFADLO Cc1cccc(C[NH2+]CC(F)(F)C(F)F)c1 ZINC000191768141 179089466 /nfs/dbraw/zinc/08/94/66/179089466.db2.gz GIFMKHABRDIAGM-UHFFFAOYSA-N 1 2 235.224 2.985 20 0 BFADLO CCn1c[nH+]cc1[C@@H]1CCCCN1CC(F)F ZINC000603413861 349963133 /nfs/dbraw/zinc/96/31/33/349963133.db2.gz GBQPQTVDDDWHAM-JTQLQIEISA-N 1 2 243.301 2.695 20 0 BFADLO Cc1cccc([N@@H+](C)CCC[C@@H](C)O)c1C ZINC000354870352 179115303 /nfs/dbraw/zinc/11/53/03/179115303.db2.gz ZAKHDDBZUPPVDC-GFCCVEGCSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cccc([N@H+](C)CCC[C@@H](C)O)c1C ZINC000354870352 179115305 /nfs/dbraw/zinc/11/53/05/179115305.db2.gz ZAKHDDBZUPPVDC-GFCCVEGCSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1cccc([N@H+](C)CC[C@H]2CCOC2=O)c1C ZINC000177657401 179115482 /nfs/dbraw/zinc/11/54/82/179115482.db2.gz MBGLIZYSESBKNI-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1cccc([N@@H+](C)CC[C@H]2CCOC2=O)c1C ZINC000177657401 179115484 /nfs/dbraw/zinc/11/54/84/179115484.db2.gz MBGLIZYSESBKNI-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc(C[S@@](=O)C2CCCC2)c(C)[nH+]1 ZINC000187060505 346551293 /nfs/dbraw/zinc/55/12/93/346551293.db2.gz JFWVQOPPBVUFJF-MRXNPFEDSA-N 1 2 237.368 2.890 20 0 BFADLO Cc1ccc(N[C@@H]2CS[C@H](C)C2)c[nH+]1 ZINC000164750795 346622986 /nfs/dbraw/zinc/62/29/86/346622986.db2.gz PQVJTKQDCDGVLQ-KOLCDFICSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1cccc(NC(=O)CCc2c[nH+]c[nH]2)c1C ZINC000074727083 179128376 /nfs/dbraw/zinc/12/83/76/179128376.db2.gz VNDBMYLLGLNTGS-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cccc(NC(=O)CCc2c[nH]c[nH+]2)c1C ZINC000074727083 179128379 /nfs/dbraw/zinc/12/83/79/179128379.db2.gz VNDBMYLLGLNTGS-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO C[N@H+](Cc1ccccc1F)CC1(F)CC1 ZINC000577158443 365845917 /nfs/dbraw/zinc/84/59/17/365845917.db2.gz HUNLCIWSUNQHIG-UHFFFAOYSA-N 1 2 211.255 2.760 20 0 BFADLO C[N@@H+](Cc1ccccc1F)CC1(F)CC1 ZINC000577158443 365845921 /nfs/dbraw/zinc/84/59/21/365845921.db2.gz HUNLCIWSUNQHIG-UHFFFAOYSA-N 1 2 211.255 2.760 20 0 BFADLO Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294140608 179154501 /nfs/dbraw/zinc/15/45/01/179154501.db2.gz PGTKNQOKPNKUFA-GFCCVEGCSA-N 1 2 213.284 2.748 20 0 BFADLO Cc1nnc(C[NH2+]Cc2ccsc2C)s1 ZINC000378679727 346804858 /nfs/dbraw/zinc/80/48/58/346804858.db2.gz UNRKWRUGPFFBEV-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000183202267 347121966 /nfs/dbraw/zinc/12/19/66/347121966.db2.gz WTPDCCDEOBRTGN-OAHLLOKOSA-N 1 2 249.354 2.845 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1cnn(C)c1 ZINC000624148262 347266513 /nfs/dbraw/zinc/26/65/13/347266513.db2.gz ZKSQUBQKLMMEEX-SNVBAGLBSA-N 1 2 231.290 2.506 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)CCCC(C)(C)C ZINC000616924365 347454524 /nfs/dbraw/zinc/45/45/24/347454524.db2.gz GCYIKUFDJSIDCG-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)CCCC(C)(C)C ZINC000616924365 347454528 /nfs/dbraw/zinc/45/45/28/347454528.db2.gz GCYIKUFDJSIDCG-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)CC1(C)CCCCC1 ZINC000616926686 347458605 /nfs/dbraw/zinc/45/86/05/347458605.db2.gz LTMYKUXEYMXBSW-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)CC1(C)CCCCC1 ZINC000616926686 347458607 /nfs/dbraw/zinc/45/86/07/347458607.db2.gz LTMYKUXEYMXBSW-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929319 347497537 /nfs/dbraw/zinc/49/75/37/347497537.db2.gz YFKRGLPZTZHDDW-AAEUAGOBSA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929319 347497538 /nfs/dbraw/zinc/49/75/38/347497538.db2.gz YFKRGLPZTZHDDW-AAEUAGOBSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000616926618 347458890 /nfs/dbraw/zinc/45/88/90/347458890.db2.gz JKHMXVCAIPLWOA-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000616926618 347458891 /nfs/dbraw/zinc/45/88/91/347458891.db2.gz JKHMXVCAIPLWOA-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616927130 347459701 /nfs/dbraw/zinc/45/97/01/347459701.db2.gz AVLATHNPADJYHF-HAQNSBGRSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616927130 347459703 /nfs/dbraw/zinc/45/97/03/347459703.db2.gz AVLATHNPADJYHF-HAQNSBGRSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1ccc(NC(=O)NCc2ccco2)c(C)[nH+]1 ZINC000176712100 365889406 /nfs/dbraw/zinc/88/94/06/365889406.db2.gz YLLHBMQSQVGRQG-UHFFFAOYSA-N 1 2 245.282 2.613 20 0 BFADLO Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000366663319 179273943 /nfs/dbraw/zinc/27/39/43/179273943.db2.gz NDLBQGBAIYIAEI-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000366663319 179273945 /nfs/dbraw/zinc/27/39/45/179273945.db2.gz NDLBQGBAIYIAEI-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275641976 179339529 /nfs/dbraw/zinc/33/95/29/179339529.db2.gz NECNUXRYLWELHF-NWDGAFQWSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cccnc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000180418571 179376534 /nfs/dbraw/zinc/37/65/34/179376534.db2.gz VRRVYKHUZXXZCR-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cccnc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000180418571 179376536 /nfs/dbraw/zinc/37/65/36/179376536.db2.gz VRRVYKHUZXXZCR-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cccnc1SCCCn1cc[nH+]c1 ZINC000286452617 179395106 /nfs/dbraw/zinc/39/51/06/179395106.db2.gz ISIODHHXMIUDRD-UHFFFAOYSA-N 1 2 233.340 2.769 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@H](C)[C@H]1C ZINC000308967705 323182719 /nfs/dbraw/zinc/18/27/19/323182719.db2.gz WZRABNRBLZKMGF-IVZWLZJFSA-N 1 2 206.289 2.547 20 0 BFADLO C[C@H]1CC[N@H+](CCOCC2CCC2)CC1(F)F ZINC000419319442 192121496 /nfs/dbraw/zinc/12/14/96/192121496.db2.gz ZIGWPQRXFYEZRD-NSHDSACASA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CC[N@@H+](CCOCC2CCC2)CC1(F)F ZINC000419319442 192121498 /nfs/dbraw/zinc/12/14/98/192121498.db2.gz ZIGWPQRXFYEZRD-NSHDSACASA-N 1 2 247.329 2.780 20 0 BFADLO CC[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)OC ZINC000419285135 192123521 /nfs/dbraw/zinc/12/35/21/192123521.db2.gz DEQHZDYJJDBHFW-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)OC ZINC000419285135 192123523 /nfs/dbraw/zinc/12/35/23/192123523.db2.gz DEQHZDYJJDBHFW-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)CC1([NH2+][C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000595831681 348365553 /nfs/dbraw/zinc/36/55/53/348365553.db2.gz PGCURYUZKBGHSL-LLVKDONJSA-N 1 2 241.375 2.885 20 0 BFADLO CC(C)CC1([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000595831682 348365849 /nfs/dbraw/zinc/36/58/49/348365849.db2.gz PGCURYUZKBGHSL-NSHDSACASA-N 1 2 241.375 2.885 20 0 BFADLO Cc1cccc(CCSCC2(C)COC2)[nH+]1 ZINC000596415717 348539694 /nfs/dbraw/zinc/53/96/94/348539694.db2.gz VCINCECQZBOFEH-UHFFFAOYSA-N 1 2 237.368 2.702 20 0 BFADLO Cc1ccc(CSCC2(C)COC2)c(C)[nH+]1 ZINC000596366577 348511837 /nfs/dbraw/zinc/51/18/37/348511837.db2.gz QGNKMRAWJUEYBL-UHFFFAOYSA-N 1 2 237.368 2.968 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1cocn1 ZINC000361011705 179540786 /nfs/dbraw/zinc/54/07/86/179540786.db2.gz UTFRIKJIGLPSCJ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1cocn1 ZINC000361011705 179540788 /nfs/dbraw/zinc/54/07/88/179540788.db2.gz UTFRIKJIGLPSCJ-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO C[C@H](CCc1ccsc1)Nc1c[nH]c[nH+]1 ZINC000308842341 348772794 /nfs/dbraw/zinc/77/27/94/348772794.db2.gz KPZLFQSFIVPMKW-SECBINFHSA-N 1 2 221.329 2.904 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)Cc1ccco1 ZINC000121154837 179706619 /nfs/dbraw/zinc/70/66/19/179706619.db2.gz VDKXLSGPUIWVOT-UHFFFAOYSA-N 1 2 245.282 2.647 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(Cl)c[nH]1 ZINC000107291923 179711354 /nfs/dbraw/zinc/71/13/54/179711354.db2.gz LNUYCHAKFMEQIQ-UHFFFAOYSA-N 1 2 235.674 2.624 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000075749074 348988517 /nfs/dbraw/zinc/98/85/17/348988517.db2.gz ITHBTAGOYPBLNC-UWVGGRQHSA-N 1 2 240.372 2.563 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)o1 ZINC000075749074 348988520 /nfs/dbraw/zinc/98/85/20/348988520.db2.gz ITHBTAGOYPBLNC-UWVGGRQHSA-N 1 2 240.372 2.563 20 0 BFADLO Cc1c[nH+]ccc1CCSc1nncs1 ZINC000421840545 192391888 /nfs/dbraw/zinc/39/18/88/192391888.db2.gz ZSJNVMNGPOHRIK-UHFFFAOYSA-N 1 2 237.353 2.576 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000599627759 349231334 /nfs/dbraw/zinc/23/13/34/349231334.db2.gz NRUMODLTICACOP-TZMCWYRMSA-N 1 2 249.354 2.843 20 0 BFADLO CSCc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000602017781 349418001 /nfs/dbraw/zinc/41/80/01/349418001.db2.gz VNXQAGVETRVLLP-UHFFFAOYSA-N 1 2 248.351 2.827 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000409444820 191011489 /nfs/dbraw/zinc/01/14/89/191011489.db2.gz HKHYJXJLVODSTF-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@@H](C)C[C@@H]2C)no1 ZINC000409444820 191011492 /nfs/dbraw/zinc/01/14/92/191011492.db2.gz HKHYJXJLVODSTF-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H]2C(C)C)[nH+]1 ZINC000334666274 180004305 /nfs/dbraw/zinc/00/43/05/180004305.db2.gz IREBCUJMYJANMA-LLVKDONJSA-N 1 2 230.315 2.501 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CS[C@@H](C)C2)[nH+]1 ZINC000334112070 180023379 /nfs/dbraw/zinc/02/33/79/180023379.db2.gz CTCOBKSTDKVVPP-CBAPKCEASA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CSC2(C)C)[nH+]1 ZINC000328714974 180024506 /nfs/dbraw/zinc/02/45/06/180024506.db2.gz CQFHMNPGDFDAFZ-SECBINFHSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2C=CCCC2)[nH+]1 ZINC000342240250 180025528 /nfs/dbraw/zinc/02/55/28/180025528.db2.gz XJSNRZVTFMWUOL-JTQLQIEISA-N 1 2 228.299 2.787 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC3(CCC3)CC2)no1 ZINC000368055005 180033837 /nfs/dbraw/zinc/03/38/37/180033837.db2.gz GLAIUJLXLGLMBQ-SNVBAGLBSA-N 1 2 235.331 2.705 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(C)oc2C)[nH]1 ZINC000331338980 180036994 /nfs/dbraw/zinc/03/69/94/180036994.db2.gz WIQJCOSJPSYXJP-RKDXNWHRSA-N 1 2 248.330 2.735 20 0 BFADLO Cc1nc(NC2CC=CC2)c2c([nH+]1)CCCC2 ZINC000302117182 180067178 /nfs/dbraw/zinc/06/71/78/180067178.db2.gz WMXZXNPGPSQNCZ-UHFFFAOYSA-N 1 2 229.327 2.794 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000360114669 180060559 /nfs/dbraw/zinc/06/05/59/180060559.db2.gz IEHUOQQZXOQAIG-MWLCHTKSSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@H]3CC3(C)C)cc2[nH+]1 ZINC000337486448 180094620 /nfs/dbraw/zinc/09/46/20/180094620.db2.gz ILRHVWDRNBNLDK-SNVBAGLBSA-N 1 2 243.310 2.856 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)C3CC3)cc2[nH+]1 ZINC000357201561 180095552 /nfs/dbraw/zinc/09/55/52/180095552.db2.gz DGQQWKURQKNKGW-QMMMGPOBSA-N 1 2 243.310 2.856 20 0 BFADLO CC1(C)C[C@H]1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120239639 191072017 /nfs/dbraw/zinc/07/20/17/191072017.db2.gz XIJHZSPXVKFHLJ-WDEREUQCSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1nc(N2CCC[C@@H]2C2CCC2)cc[nH+]1 ZINC000266372990 180193627 /nfs/dbraw/zinc/19/36/27/180193627.db2.gz LYAROUMZEXETCX-GFCCVEGCSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1nc(N2CC[C@@]3(CC[C@H](C)C3)C2)cc[nH+]1 ZINC000359071470 180194334 /nfs/dbraw/zinc/19/43/34/180194334.db2.gz VZMIXYXEBQFXOW-SMDDNHRTSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000266226021 180195175 /nfs/dbraw/zinc/19/51/75/180195175.db2.gz RQWLTMZPNBFNJF-NHYWBVRUSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1nc(NCC2(C)CCCC2)cc[nH+]1 ZINC000082625604 180198624 /nfs/dbraw/zinc/19/86/24/180198624.db2.gz DHAYQRIKVGEOIW-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1nc(NCCC[C@H]2CCCCO2)cc[nH+]1 ZINC000186078894 180199351 /nfs/dbraw/zinc/19/93/51/180199351.db2.gz BVVHOUSOASJDQX-GFCCVEGCSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1nc(NCCc2cccs2)cc[nH+]1 ZINC000054935734 180200519 /nfs/dbraw/zinc/20/05/19/180200519.db2.gz BQPJHYUGKYNAKP-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO Cc1nc(N[C@@H]2CCO[C@@H](CC(C)C)C2)cc[nH+]1 ZINC000272009792 180202807 /nfs/dbraw/zinc/20/28/07/180202807.db2.gz MQCKHCGDTYGVKI-OLZOCXBDSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@H](C)Cc2ccsc2)cc[nH+]1 ZINC000054936205 180204737 /nfs/dbraw/zinc/20/47/37/180204737.db2.gz HYEYXKAGQPJERJ-SECBINFHSA-N 1 2 233.340 2.890 20 0 BFADLO Cc1nc(N[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000122372530 180205883 /nfs/dbraw/zinc/20/58/83/180205883.db2.gz LMEUFSLOMUTKGI-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(NCc2cccc(C(C)C)c2)cc[nH+]1 ZINC000355784360 180181856 /nfs/dbraw/zinc/18/18/56/180181856.db2.gz ORBCTSZGYDJPTJ-UHFFFAOYSA-N 1 2 241.338 2.942 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@@H](C)C2CC2)no1 ZINC000290203770 180223358 /nfs/dbraw/zinc/22/33/58/180223358.db2.gz XRKCSMNBTUQGIV-VIFPVBQESA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@@H]1CCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000309250482 350234724 /nfs/dbraw/zinc/23/47/24/350234724.db2.gz DRKWUJJDZPCUDJ-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@@H]1CCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000309250482 350234729 /nfs/dbraw/zinc/23/47/29/350234729.db2.gz DRKWUJJDZPCUDJ-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@H]([NH2+]Cc1nc(C)no1)c1ccc(C)cc1 ZINC000037980801 350294454 /nfs/dbraw/zinc/29/44/54/350294454.db2.gz JTEMLULVPUORGX-ZDUSSCGKSA-N 1 2 245.326 2.927 20 0 BFADLO Cc1ncsc1C[N@H+](C)C/C=C/Cl ZINC000066666720 180312420 /nfs/dbraw/zinc/31/24/20/180312420.db2.gz QYLFRQAGTDMZHE-ONEGZZNKSA-N 1 2 216.737 2.636 20 0 BFADLO Cc1ncsc1C[N@@H+](C)C/C=C/Cl ZINC000066666720 180312422 /nfs/dbraw/zinc/31/24/22/180312422.db2.gz QYLFRQAGTDMZHE-ONEGZZNKSA-N 1 2 216.737 2.636 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@@H]1F ZINC000621275049 350355778 /nfs/dbraw/zinc/35/57/78/350355778.db2.gz IBAMTENHOUGKBR-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1F ZINC000621275049 350355781 /nfs/dbraw/zinc/35/57/81/350355781.db2.gz IBAMTENHOUGKBR-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@H]1F ZINC000621275048 350355969 /nfs/dbraw/zinc/35/59/69/350355969.db2.gz IBAMTENHOUGKBR-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@H]1F ZINC000621275048 350355973 /nfs/dbraw/zinc/35/59/73/350355973.db2.gz IBAMTENHOUGKBR-JOYOIKCWSA-N 1 2 242.725 2.915 20 0 BFADLO C/C=C(/C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000130719962 191096215 /nfs/dbraw/zinc/09/62/15/191096215.db2.gz FTHWJEFWNDVWIG-YVMONPNESA-N 1 2 204.273 2.603 20 0 BFADLO CCCCN(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606583256 350372988 /nfs/dbraw/zinc/37/29/88/350372988.db2.gz VABWALPQEASRQU-UHFFFAOYSA-N 1 2 246.314 2.598 20 0 BFADLO CCc1cc(NCCCC(C)C)nc[nH+]1 ZINC000040765219 350395404 /nfs/dbraw/zinc/39/54/04/350395404.db2.gz CPUAAKDNFJIXDT-UHFFFAOYSA-N 1 2 207.321 2.887 20 0 BFADLO Cc1nc(NCCC[C@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000154474189 538092521 /nfs/dbraw/zinc/09/25/21/538092521.db2.gz XMDQRZIQTKNEIM-OLZOCXBDSA-N 1 2 249.358 2.528 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1ccncc1Cl)C2 ZINC000628307019 350442512 /nfs/dbraw/zinc/44/25/12/350442512.db2.gz JFZLTQUBPYZSKQ-UHFFFAOYSA-N 1 2 240.709 2.669 20 0 BFADLO Cc1nc(N2CCC[C@H](C(C)C)C2)cc[nH+]1 ZINC000443988287 191110965 /nfs/dbraw/zinc/11/09/65/191110965.db2.gz MBVKIBJZAUXUDQ-LBPRGKRZSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1noc(OCc2ccc(C(C)C)[nH+]c2C)n1 ZINC000292603439 180495484 /nfs/dbraw/zinc/49/54/84/180495484.db2.gz HZQKVZXKDHBTRK-UHFFFAOYSA-N 1 2 247.298 2.784 20 0 BFADLO Cc1cc(NCCCC(F)(F)F)nc[nH+]1 ZINC000097987337 350726927 /nfs/dbraw/zinc/72/69/27/350726927.db2.gz GDIKPARILHTNBS-UHFFFAOYSA-N 1 2 219.210 2.539 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cccc(C)c2C)n1 ZINC000356898929 180499258 /nfs/dbraw/zinc/49/92/58/180499258.db2.gz VWDVICCGXIVPBQ-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)c(F)c1 ZINC000389447452 350882958 /nfs/dbraw/zinc/88/29/58/350882958.db2.gz OZJHXTLCIYSSCI-QMMMGPOBSA-N 1 2 247.260 2.968 20 0 BFADLO CC[N@H+](CCCc1cnn(C)c1)c1ccccc1 ZINC000129255312 351016874 /nfs/dbraw/zinc/01/68/74/351016874.db2.gz QIZVQXSNKOCWJD-UHFFFAOYSA-N 1 2 243.354 2.879 20 0 BFADLO CC[N@@H+](CCCc1cnn(C)c1)c1ccccc1 ZINC000129255312 351016878 /nfs/dbraw/zinc/01/68/78/351016878.db2.gz QIZVQXSNKOCWJD-UHFFFAOYSA-N 1 2 243.354 2.879 20 0 BFADLO C1=C([C@H]2C[C@@H]3CC[C@H]2C3)N2CC[NH+]=C2S1 ZINC000188630100 191128952 /nfs/dbraw/zinc/12/89/52/191128952.db2.gz LGESVGUWZQQROA-UTLUCORTSA-N 1 2 220.341 2.682 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)o1 ZINC000628318715 351093653 /nfs/dbraw/zinc/09/36/53/351093653.db2.gz PYMVZZBTZQABDQ-KBPBESRZSA-N 1 2 246.285 2.710 20 0 BFADLO c1cn(CCCCc2ccccc2)c[nH+]1 ZINC000122411683 191132301 /nfs/dbraw/zinc/13/23/01/191132301.db2.gz VLQXHSPYBGQSGF-UHFFFAOYSA-N 1 2 200.285 2.906 20 0 BFADLO CCCCc1cc(N[C@@H](CC)COC)nc[nH+]1 ZINC000631124921 351235913 /nfs/dbraw/zinc/23/59/13/351235913.db2.gz UVEYXWFYQCVIMM-NSHDSACASA-N 1 2 237.347 2.656 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)CSC ZINC000265171756 351264282 /nfs/dbraw/zinc/26/42/82/351264282.db2.gz DVRGOAVSBLPYMO-SECBINFHSA-N 1 2 238.356 2.582 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000628326604 351260334 /nfs/dbraw/zinc/26/03/34/351260334.db2.gz NTPPIQWBSVSDBM-LLVKDONJSA-N 1 2 245.301 2.564 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000628326604 351260337 /nfs/dbraw/zinc/26/03/37/351260337.db2.gz NTPPIQWBSVSDBM-LLVKDONJSA-N 1 2 245.301 2.564 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000628326605 351260750 /nfs/dbraw/zinc/26/07/50/351260750.db2.gz NTPPIQWBSVSDBM-NSHDSACASA-N 1 2 245.301 2.564 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000628326605 351260751 /nfs/dbraw/zinc/26/07/51/351260751.db2.gz NTPPIQWBSVSDBM-NSHDSACASA-N 1 2 245.301 2.564 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1CCCC1 ZINC000265030665 351261721 /nfs/dbraw/zinc/26/17/21/351261721.db2.gz SZPFDKUXCIWRDM-UHFFFAOYSA-N 1 2 218.300 2.773 20 0 BFADLO CCN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000266127289 351280893 /nfs/dbraw/zinc/28/08/93/351280893.db2.gz CAVLHVYUHWCEEF-UHFFFAOYSA-N 1 2 227.311 2.812 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CCC(F)(F)F ZINC000266275405 351288853 /nfs/dbraw/zinc/28/88/53/351288853.db2.gz CEOMZOWWMGACSD-UHFFFAOYSA-N 1 2 246.232 2.925 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1cccc(C)c1 ZINC000267562748 351315267 /nfs/dbraw/zinc/31/52/67/351315267.db2.gz BHBQXXIHYLDTOG-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO CC[N@H+](Cc1csc(C)n1)Cc1ccncc1 ZINC000267924780 351325588 /nfs/dbraw/zinc/32/55/88/351325588.db2.gz RBGWGSVDNRCHKC-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1csc(C)n1)Cc1ccncc1 ZINC000267924780 351325592 /nfs/dbraw/zinc/32/55/92/351325592.db2.gz RBGWGSVDNRCHKC-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC1(C)C ZINC000269875462 351369099 /nfs/dbraw/zinc/36/90/99/351369099.db2.gz NQKOVTXXJAAFFA-JTQLQIEISA-N 1 2 218.300 2.629 20 0 BFADLO CC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000034989717 351376512 /nfs/dbraw/zinc/37/65/12/351376512.db2.gz DYUJNBKJWIXRBZ-UHFFFAOYSA-N 1 2 235.302 2.740 20 0 BFADLO CC(C)C[C@H](C)CN1CC[NH+](C2CCC2)CC1 ZINC000337196530 191137237 /nfs/dbraw/zinc/13/72/37/191137237.db2.gz WJWZEQKSFYSAQC-AWEZNQCLSA-N 1 2 238.419 2.839 20 0 BFADLO CC(C)C[C@H](C)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000300913642 187486340 /nfs/dbraw/zinc/48/63/40/187486340.db2.gz MCUFODIVKRIFSN-QWHCGFSZSA-N 1 2 227.392 2.761 20 0 BFADLO c1cc(C[NH2+][C@H]2CCCc3scnc32)co1 ZINC000623871282 351603645 /nfs/dbraw/zinc/60/36/45/351603645.db2.gz ZXLPHLLRTGTDBG-JTQLQIEISA-N 1 2 234.324 2.903 20 0 BFADLO COCCCSCCc1cccc(C)[nH+]1 ZINC000577634291 366028000 /nfs/dbraw/zinc/02/80/00/366028000.db2.gz IJHCMSNCCHLHAF-UHFFFAOYSA-N 1 2 225.357 2.702 20 0 BFADLO CCCC[C@@H](CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276663406 351642254 /nfs/dbraw/zinc/64/22/54/351642254.db2.gz MUTLGDXXMATXCZ-ABZNLYFFSA-N 1 2 249.358 2.756 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1c(C)cccc1C)C(=O)OC ZINC000577685816 366034967 /nfs/dbraw/zinc/03/49/67/366034967.db2.gz ISKHMBHVNLXBSB-OLZOCXBDSA-N 1 2 249.354 2.906 20 0 BFADLO CCC(CC)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000177659151 363083390 /nfs/dbraw/zinc/08/33/90/363083390.db2.gz QKXAUDREMWAUJO-UHFFFAOYSA-N 1 2 249.358 2.912 20 0 BFADLO CC1(C)C[N@H+](Cc2cocn2)Cc2ccccc21 ZINC000278240311 351752380 /nfs/dbraw/zinc/75/23/80/351752380.db2.gz UBAXIEKWKJHULX-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO CC1(C)C[N@@H+](Cc2cocn2)Cc2ccccc21 ZINC000278240311 351752383 /nfs/dbraw/zinc/75/23/83/351752383.db2.gz UBAXIEKWKJHULX-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000279729515 351822539 /nfs/dbraw/zinc/82/25/39/351822539.db2.gz CLOIIYMNWYLBCV-NEPJUHHUSA-N 1 2 249.358 2.551 20 0 BFADLO c1cc2c(cc1NCC[C@H]1CCOC1)CCC[NH2+]2 ZINC000414846419 351848009 /nfs/dbraw/zinc/84/80/09/351848009.db2.gz HFRHJGSJLNIUAG-LBPRGKRZSA-N 1 2 246.354 2.883 20 0 BFADLO c1cc2c(cc1NCC[C@@H]1CCOC1)CCC[NH2+]2 ZINC000414846418 351848079 /nfs/dbraw/zinc/84/80/79/351848079.db2.gz HFRHJGSJLNIUAG-GFCCVEGCSA-N 1 2 246.354 2.883 20 0 BFADLO CC1(C)C[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000340018857 187504753 /nfs/dbraw/zinc/50/47/53/187504753.db2.gz ZXSSCFHQJXKJEA-SNVBAGLBSA-N 1 2 232.331 2.509 20 0 BFADLO CC1(C)C[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000340018857 187504755 /nfs/dbraw/zinc/50/47/55/187504755.db2.gz ZXSSCFHQJXKJEA-SNVBAGLBSA-N 1 2 232.331 2.509 20 0 BFADLO CC(C)[C@@H]1OCCC[C@@H]1CNc1cccc[nH+]1 ZINC000267691970 187508485 /nfs/dbraw/zinc/50/84/85/187508485.db2.gz QQGRYYQHNFIXIU-OCCSQVGLSA-N 1 2 234.343 2.945 20 0 BFADLO CC[C@](C)(C[N@H+](CC(F)F)C1CC1)OC ZINC000638057421 351933118 /nfs/dbraw/zinc/93/31/18/351933118.db2.gz VQRVKZYJPMIZFU-LLVKDONJSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@](C)(C[N@@H+](CC(F)F)C1CC1)OC ZINC000638057421 351933121 /nfs/dbraw/zinc/93/31/21/351933121.db2.gz VQRVKZYJPMIZFU-LLVKDONJSA-N 1 2 221.291 2.531 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccn1 ZINC000638427772 352235432 /nfs/dbraw/zinc/23/54/32/352235432.db2.gz YMQPWXAQVJTWAD-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cn[nH]c1C ZINC000290440767 352225219 /nfs/dbraw/zinc/22/52/19/352225219.db2.gz LVBMUQUJCRRYJE-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cn[nH]c1C ZINC000290440767 352225223 /nfs/dbraw/zinc/22/52/23/352225223.db2.gz LVBMUQUJCRRYJE-AWEZNQCLSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@](C)([NH2+]C/C=C\c1ccccc1)C(=O)OC ZINC000411449847 191187950 /nfs/dbraw/zinc/18/79/50/191187950.db2.gz XYTMFXLXXKDPBH-QIENPNARSA-N 1 2 247.338 2.631 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1OC ZINC000294695007 352383158 /nfs/dbraw/zinc/38/31/58/352383158.db2.gz XRMMPHQBTNEVCO-GHMZBOCLSA-N 1 2 248.326 2.855 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1cccc(C)c1 ZINC000299620068 352542565 /nfs/dbraw/zinc/54/25/65/352542565.db2.gz PYWVTIKXXFBOFR-UHFFFAOYSA-N 1 2 229.327 2.755 20 0 BFADLO Cn1cc(CNc2ccc3ccccc3[nH+]2)cn1 ZINC000041160094 352608475 /nfs/dbraw/zinc/60/84/75/352608475.db2.gz OXDHSOFHHFJDJE-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO C[C@@H]1C[C@H]1N(Cc1c[nH+]cn1C)c1ccccc1 ZINC000411930003 191229214 /nfs/dbraw/zinc/22/92/14/191229214.db2.gz YMAXCPCRZHJKTK-IUODEOHRSA-N 1 2 241.338 2.835 20 0 BFADLO Cc1ccc(NCc2cc(C3CC3)no2)c[nH+]1 ZINC000638761641 352698531 /nfs/dbraw/zinc/69/85/31/352698531.db2.gz GXEUFIKVIKATPM-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO Cc1ncccc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638785943 352740714 /nfs/dbraw/zinc/74/07/14/352740714.db2.gz HTQRGPZAVSLIBW-CYBMUJFWSA-N 1 2 242.326 2.687 20 0 BFADLO CC[C@H](C)[C@@H](CNc1ccc[nH+]c1C)OC ZINC000638785857 352740731 /nfs/dbraw/zinc/74/07/31/352740731.db2.gz GTXWINZMJZFDGP-GXFFZTMASA-N 1 2 222.332 2.863 20 0 BFADLO CC1(C)CC(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000334186607 352775628 /nfs/dbraw/zinc/77/56/28/352775628.db2.gz GSTUOVVWWFPETB-NSHDSACASA-N 1 2 247.342 2.509 20 0 BFADLO Cc1ccncc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638793361 352756499 /nfs/dbraw/zinc/75/64/99/352756499.db2.gz UUAYMPTXKCLZMF-CYBMUJFWSA-N 1 2 242.326 2.687 20 0 BFADLO Cn1cc[nH+]c1CSc1ccccc1F ZINC000334178666 352765444 /nfs/dbraw/zinc/76/54/44/352765444.db2.gz DENQKCVWODIAFP-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO CCc1nc(N2C[C@@H](C)CC2(C)C)cc(C)[nH+]1 ZINC000342826740 352825902 /nfs/dbraw/zinc/82/59/02/352825902.db2.gz VGRWPKMECQWVNS-JTQLQIEISA-N 1 2 233.359 2.972 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000288517396 187857671 /nfs/dbraw/zinc/85/76/71/187857671.db2.gz RCJGXLFGBLHNQC-LBPRGKRZSA-N 1 2 248.374 2.558 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000288517396 187857674 /nfs/dbraw/zinc/85/76/74/187857674.db2.gz RCJGXLFGBLHNQC-LBPRGKRZSA-N 1 2 248.374 2.558 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334246827 352838320 /nfs/dbraw/zinc/83/83/20/352838320.db2.gz IYRAOXLKHFGUNF-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000334246827 352838323 /nfs/dbraw/zinc/83/83/23/352838323.db2.gz IYRAOXLKHFGUNF-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000334246827 352838327 /nfs/dbraw/zinc/83/83/27/352838327.db2.gz IYRAOXLKHFGUNF-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO Cc1cc(N2CCC=C(c3ccco3)C2)nc[nH+]1 ZINC000334249120 352841843 /nfs/dbraw/zinc/84/18/43/352841843.db2.gz YOGKQVJCNUJBSP-UHFFFAOYSA-N 1 2 241.294 2.672 20 0 BFADLO Cc1cn2c([nH+]1)[C@@H](CNc1ccccn1)CCC2 ZINC000334249942 352843712 /nfs/dbraw/zinc/84/37/12/352843712.db2.gz YEXVGPHMJZYXBM-GFCCVEGCSA-N 1 2 242.326 2.576 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1C ZINC000334275062 352911375 /nfs/dbraw/zinc/91/13/75/352911375.db2.gz BRYAEBKKEDQBJT-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)[C@@H]1C ZINC000334275062 352911377 /nfs/dbraw/zinc/91/13/77/352911377.db2.gz BRYAEBKKEDQBJT-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+]Cc2cscn2)c1 ZINC000184330989 229668109 /nfs/dbraw/zinc/66/81/09/229668109.db2.gz YHKXPVDOYKBMQH-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000334327068 352962873 /nfs/dbraw/zinc/96/28/73/352962873.db2.gz LTPZUDLNQSLWDC-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000334327068 352962876 /nfs/dbraw/zinc/96/28/76/352962876.db2.gz LTPZUDLNQSLWDC-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO CCC[N@@H+](Cc1nnsc1Cl)CC1CC1 ZINC000042223105 538106229 /nfs/dbraw/zinc/10/62/29/538106229.db2.gz NPUNUUFSNOSAEQ-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO CCC[N@H+](Cc1nnsc1Cl)CC1CC1 ZINC000042223105 538106231 /nfs/dbraw/zinc/10/62/31/538106231.db2.gz NPUNUUFSNOSAEQ-UHFFFAOYSA-N 1 2 245.779 2.814 20 0 BFADLO CC[C@H](Nc1nc(C2CC2)ns1)c1[nH]cc[nH+]1 ZINC000139801278 538106520 /nfs/dbraw/zinc/10/65/20/538106520.db2.gz QFKYFQILKXYZBH-QMMMGPOBSA-N 1 2 249.343 2.702 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)o1 ZINC000231787917 538107500 /nfs/dbraw/zinc/10/75/00/538107500.db2.gz CODWPKBQSVQCRD-SKDRFNHKSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)o1 ZINC000231787913 538107457 /nfs/dbraw/zinc/10/74/57/538107457.db2.gz CODWPKBQSVQCRD-BXKDBHETSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cc(N2C3CCCC2CCC3)nc[nH+]1 ZINC000608090880 353113208 /nfs/dbraw/zinc/11/32/08/353113208.db2.gz ONWXWFSMCKGKFG-UHFFFAOYSA-N 1 2 217.316 2.696 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccns1 ZINC000638922488 353079216 /nfs/dbraw/zinc/07/92/16/353079216.db2.gz HFLCFZUKSMILLB-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccns1 ZINC000638922488 353079218 /nfs/dbraw/zinc/07/92/18/353079218.db2.gz HFLCFZUKSMILLB-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccns1 ZINC000638922489 353079541 /nfs/dbraw/zinc/07/95/41/353079541.db2.gz HFLCFZUKSMILLB-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccns1 ZINC000638922489 353079543 /nfs/dbraw/zinc/07/95/43/353079543.db2.gz HFLCFZUKSMILLB-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO Cc1nc(N2CC[C@@H]2c2cccc(F)c2)cc[nH+]1 ZINC000608093986 353123651 /nfs/dbraw/zinc/12/36/51/353123651.db2.gz PSLJSGIZQNHWDU-CYBMUJFWSA-N 1 2 243.285 2.876 20 0 BFADLO C/C=C/c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000360629373 188069142 /nfs/dbraw/zinc/06/91/42/188069142.db2.gz RTBNSWANGBZTCM-NSCUHMNNSA-N 1 2 241.294 2.555 20 0 BFADLO CC(C)C[C@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360943813 188070125 /nfs/dbraw/zinc/07/01/25/188070125.db2.gz JTALQQNWLYVSFY-RYUDHWBXSA-N 1 2 249.358 2.755 20 0 BFADLO CCCN(C[C@@H]1CCCCO1)c1cc[nH+]c(C)n1 ZINC000361017005 188070441 /nfs/dbraw/zinc/07/04/41/188070441.db2.gz KHZYJRULMLNKKJ-ZDUSSCGKSA-N 1 2 249.358 2.571 20 0 BFADLO C(=C/c1ccccc1)\COCc1[nH]cc[nH+]1 ZINC000123732306 188084079 /nfs/dbraw/zinc/08/40/79/188084079.db2.gz SXLRKHZFDOXBQP-QPJJXVBHSA-N 1 2 214.268 2.640 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2ccon2)CC1 ZINC000341994344 180879095 /nfs/dbraw/zinc/87/90/95/180879095.db2.gz SJJNBSDKBPCZMT-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO CC(C)N(C(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000112595224 188153628 /nfs/dbraw/zinc/15/36/28/188153628.db2.gz AGRAZJPYTHHNHL-UHFFFAOYSA-N 1 2 245.326 2.593 20 0 BFADLO CSc1ccc(NC[C@@H]2C[C@@H]2C)[nH+]c1 ZINC000306436005 188155102 /nfs/dbraw/zinc/15/51/02/188155102.db2.gz GBLRQRFTWIRZRV-IUCAKERBSA-N 1 2 208.330 2.871 20 0 BFADLO CC(=O)[C@@H](C)SCc1cn2cccc(C)c2[nH+]1 ZINC000175190249 188164545 /nfs/dbraw/zinc/16/45/45/188164545.db2.gz XDTCANPAOZVYAM-LLVKDONJSA-N 1 2 248.351 2.853 20 0 BFADLO CC(C)c1nc(N(C)Cc2ccco2)cc[nH+]1 ZINC000106462464 188167317 /nfs/dbraw/zinc/16/73/17/188167317.db2.gz NSRLFTXFBJDIOM-UHFFFAOYSA-N 1 2 231.299 2.829 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NCC2CC2)c1 ZINC000085486122 180896866 /nfs/dbraw/zinc/89/68/66/180896866.db2.gz AGANFBFBIWQSKC-UHFFFAOYSA-N 1 2 216.206 2.922 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC000078612441 180897186 /nfs/dbraw/zinc/89/71/86/180897186.db2.gz RSISHAXTZVGKDI-VIFPVBQESA-N 1 2 246.232 2.691 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cncc(OC)c1C ZINC000631184732 358476570 /nfs/dbraw/zinc/47/65/70/358476570.db2.gz XSVPZRRQJORVJY-UHFFFAOYSA-N 1 2 244.285 2.534 20 0 BFADLO FC(F)C[N@@H+](Cc1ccncc1)CC1CCC1 ZINC000341759298 180900391 /nfs/dbraw/zinc/90/03/91/180900391.db2.gz FCZDUQXXIVXBEJ-UHFFFAOYSA-N 1 2 240.297 2.949 20 0 BFADLO FC(F)C[N@H+](Cc1ccncc1)CC1CCC1 ZINC000341759298 180900393 /nfs/dbraw/zinc/90/03/93/180900393.db2.gz FCZDUQXXIVXBEJ-UHFFFAOYSA-N 1 2 240.297 2.949 20 0 BFADLO CC(C)[C@H](NC(=O)c1ccsc1)c1[nH]cc[nH+]1 ZINC000276570225 188201993 /nfs/dbraw/zinc/20/19/93/188201993.db2.gz IIFUPGXHXCZDIK-JTQLQIEISA-N 1 2 249.339 2.598 20 0 BFADLO Cc1ccsc1C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000134552110 538113094 /nfs/dbraw/zinc/11/30/94/538113094.db2.gz QOCKJDXBDRGHTF-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO CC1(C)SC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000282802098 188207070 /nfs/dbraw/zinc/20/70/70/188207070.db2.gz IKQWAIUTMMZAPS-GFCCVEGCSA-N 1 2 245.351 2.936 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C1CC1 ZINC000287579376 188209399 /nfs/dbraw/zinc/20/93/99/188209399.db2.gz QSEOFMFPOPNEDC-VIFPVBQESA-N 1 2 233.315 2.618 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H]1C ZINC000287512593 188209790 /nfs/dbraw/zinc/20/97/90/188209790.db2.gz MFYGSSYJUQLIGW-SNVBAGLBSA-N 1 2 233.315 2.715 20 0 BFADLO c1cc(N2CC[C@@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000336634324 188232070 /nfs/dbraw/zinc/23/20/70/188232070.db2.gz LZIICUKPXCMUHJ-CMPLNLGQSA-N 1 2 229.327 2.733 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835785 538114298 /nfs/dbraw/zinc/11/42/98/538114298.db2.gz FFLIKYSRAQULQR-ZJUUUORDSA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(NC2CCCCC2)[nH+]c1 ZINC000225893888 538114525 /nfs/dbraw/zinc/11/45/25/538114525.db2.gz PMMCEXHXVDCGKK-UHFFFAOYSA-N 1 2 206.289 2.835 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000336257067 188228638 /nfs/dbraw/zinc/22/86/38/188228638.db2.gz XOSKRORPABBCOW-QPUJVOFHSA-N 1 2 232.327 2.991 20 0 BFADLO COc1ccc(N[C@H]2CCC[C@@H]2C)[nH+]c1 ZINC000225894282 538114616 /nfs/dbraw/zinc/11/46/16/538114616.db2.gz JGSOKNXQWZDTGZ-ONGXEEELSA-N 1 2 206.289 2.691 20 0 BFADLO C[C@H](c1ccncc1)[N@H+](C)Cc1ccns1 ZINC000639040924 353318395 /nfs/dbraw/zinc/31/83/95/353318395.db2.gz PRQCVXVUASZDJA-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccns1 ZINC000639040924 353318396 /nfs/dbraw/zinc/31/83/96/353318396.db2.gz PRQCVXVUASZDJA-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO CC1(C)CCC[C@@H](CC(=O)NCc2[nH]cc[nH+]2)C1 ZINC000133592362 353421932 /nfs/dbraw/zinc/42/19/32/353421932.db2.gz GLCJHYSRNBRPBH-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO COc1ccc(N[C@@H](C)CC2CC2)[nH+]c1 ZINC000225833696 491051137 /nfs/dbraw/zinc/05/11/37/491051137.db2.gz DSKPCCJAQKLFAX-VIFPVBQESA-N 1 2 206.289 2.691 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)cn2)sn1 ZINC000639096686 353490326 /nfs/dbraw/zinc/49/03/26/353490326.db2.gz HVMDLRSYAGDGRI-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(C)cn2)sn1 ZINC000639096686 353490327 /nfs/dbraw/zinc/49/03/27/353490327.db2.gz HVMDLRSYAGDGRI-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO COc1ccc(N[C@H]2CCC2(C)C)[nH+]c1 ZINC000309036208 491051941 /nfs/dbraw/zinc/05/19/41/491051941.db2.gz GDKLDVFKYQKUQC-JTQLQIEISA-N 1 2 206.289 2.691 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncccn2)[C@@H]1c1ccccc1 ZINC000192057024 353534807 /nfs/dbraw/zinc/53/48/07/353534807.db2.gz FORYSVHFKDQHII-WFASDCNBSA-N 1 2 239.322 2.670 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncccn2)[C@@H]1c1ccccc1 ZINC000192057024 353534809 /nfs/dbraw/zinc/53/48/09/353534809.db2.gz FORYSVHFKDQHII-WFASDCNBSA-N 1 2 239.322 2.670 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)o1 ZINC000231525464 353619128 /nfs/dbraw/zinc/61/91/28/353619128.db2.gz OWACBEDZNLSYSP-JTQLQIEISA-N 1 2 220.272 2.735 20 0 BFADLO Fc1cccc(F)c1C[NH2+]Cc1nccs1 ZINC000040443950 181000433 /nfs/dbraw/zinc/00/04/33/181000433.db2.gz KEZFXHKJVZKSCC-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1cscn1 ZINC000040420556 181012422 /nfs/dbraw/zinc/01/24/22/181012422.db2.gz TYAXHCUQUIJNRS-UHFFFAOYSA-N 1 2 222.288 2.572 20 0 BFADLO Fc1cccc2c1OCC[N@H+](Cc1ccco1)C2 ZINC000369407278 181007341 /nfs/dbraw/zinc/00/73/41/181007341.db2.gz GCMOZPLDSHLFJQ-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1cccc2c1OCC[N@@H+](Cc1ccco1)C2 ZINC000369407278 181007343 /nfs/dbraw/zinc/00/73/43/181007343.db2.gz GCMOZPLDSHLFJQ-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1cncc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000275153976 181019715 /nfs/dbraw/zinc/01/97/15/181019715.db2.gz UHDVVUQGTWYKKE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cncc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000275153976 181019716 /nfs/dbraw/zinc/01/97/16/181019716.db2.gz UHDVVUQGTWYKKE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1c[nH+]ccc1NCc1ncc(Cl)s1 ZINC000308871802 181021009 /nfs/dbraw/zinc/02/10/09/181021009.db2.gz KJZYBKUHYBKSMB-UHFFFAOYSA-N 1 2 243.694 2.943 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C2CC(C)C2)n1 ZINC000577943741 366120401 /nfs/dbraw/zinc/12/04/01/366120401.db2.gz VWGLBRODEUNMTP-UHFFFAOYSA-N 1 2 243.310 2.877 20 0 BFADLO CCSCCCNc1cc(CC)[nH+]cn1 ZINC000300992381 363268540 /nfs/dbraw/zinc/26/85/40/363268540.db2.gz WFPXCSMYWSVOFT-UHFFFAOYSA-N 1 2 225.361 2.594 20 0 BFADLO CCC[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)OC ZINC000639137776 353854755 /nfs/dbraw/zinc/85/47/55/353854755.db2.gz IGWSUTVABOQFPM-QWRGUYRKSA-N 1 2 235.318 2.921 20 0 BFADLO CCC[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)OC ZINC000639137776 353854757 /nfs/dbraw/zinc/85/47/57/353854757.db2.gz IGWSUTVABOQFPM-QWRGUYRKSA-N 1 2 235.318 2.921 20 0 BFADLO Cc1cc(N[C@]2(C)CCO[C@H]2C)nc(C2CC2)[nH+]1 ZINC000343497388 353912714 /nfs/dbraw/zinc/91/27/14/353912714.db2.gz DMWAZEFBRPGVOX-IINYFYTJSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1nc(N[C@H]2CC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000343778530 353987939 /nfs/dbraw/zinc/98/79/39/353987939.db2.gz KVCCGPNCZODGCF-SKDRFNHKSA-N 1 2 231.343 2.874 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2CC2(F)F)c(C)[nH+]1 ZINC000334552446 353993455 /nfs/dbraw/zinc/99/34/55/353993455.db2.gz AQTYTUNVJWQMOD-VIFPVBQESA-N 1 2 240.253 2.601 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2CC2(F)F)c(C)[nH+]1 ZINC000334552445 353993553 /nfs/dbraw/zinc/99/35/53/353993553.db2.gz AQTYTUNVJWQMOD-SECBINFHSA-N 1 2 240.253 2.601 20 0 BFADLO Cc1cc(N2CC[C@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343794411 353999541 /nfs/dbraw/zinc/99/95/41/353999541.db2.gz HQOLLQWYFUPGAU-NSHDSACASA-N 1 2 219.332 2.657 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000334559973 354009557 /nfs/dbraw/zinc/00/95/57/354009557.db2.gz PLSNHJDKWGQLRG-JTQLQIEISA-N 1 2 248.374 2.852 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000334559973 354009558 /nfs/dbraw/zinc/00/95/58/354009558.db2.gz PLSNHJDKWGQLRG-JTQLQIEISA-N 1 2 248.374 2.852 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@H+](C)CC=C(C)C ZINC000343809884 354010876 /nfs/dbraw/zinc/01/08/76/354010876.db2.gz JHGJPLRAXGWSAQ-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC=C(C)C ZINC000343809884 354010877 /nfs/dbraw/zinc/01/08/77/354010877.db2.gz JHGJPLRAXGWSAQ-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C[C@H]2CC=CCC2)no1 ZINC000344070403 354131869 /nfs/dbraw/zinc/13/18/69/354131869.db2.gz RLKMZLKPJJKRTM-LBPRGKRZSA-N 1 2 249.358 2.981 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2CC=CCC2)no1 ZINC000344070403 354131874 /nfs/dbraw/zinc/13/18/74/354131874.db2.gz RLKMZLKPJJKRTM-LBPRGKRZSA-N 1 2 249.358 2.981 20 0 BFADLO FC1(F)COCC[N@H+](CC2CCCCC2)C1 ZINC000344128483 354146201 /nfs/dbraw/zinc/14/62/01/354146201.db2.gz TVPPMDUMWBMUMK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)COCC[N@@H+](CC2CCCCC2)C1 ZINC000344128483 354146203 /nfs/dbraw/zinc/14/62/03/354146203.db2.gz TVPPMDUMWBMUMK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO CC(C)C[C@H](C)C[N@@H+]1CCOCC(F)(F)C1 ZINC000344103553 354158876 /nfs/dbraw/zinc/15/88/76/354158876.db2.gz FHYFEGOFYRBVKE-NSHDSACASA-N 1 2 235.318 2.636 20 0 BFADLO CC(C)C[C@H](C)C[N@H+]1CCOCC(F)(F)C1 ZINC000344103553 354158880 /nfs/dbraw/zinc/15/88/80/354158880.db2.gz FHYFEGOFYRBVKE-NSHDSACASA-N 1 2 235.318 2.636 20 0 BFADLO Cc1cc(N2Cc3cccc(Cl)c3C2)nc[nH+]1 ZINC000334584299 354206165 /nfs/dbraw/zinc/20/61/65/354206165.db2.gz YTBAJYMNEUZEDB-UHFFFAOYSA-N 1 2 245.713 2.959 20 0 BFADLO Cc1nc(N[C@H](C)CC(F)(F)F)cc[nH+]1 ZINC000231749845 363351278 /nfs/dbraw/zinc/35/12/78/363351278.db2.gz AXLTTZIQTZFSHL-ZCFIWIBFSA-N 1 2 219.210 2.538 20 0 BFADLO Cc1cc(N[C@@H](C)CC(F)(F)F)nc[nH+]1 ZINC000231749766 363351411 /nfs/dbraw/zinc/35/14/11/363351411.db2.gz SFXOMLHCHULJSL-ZETCQYMHSA-N 1 2 219.210 2.538 20 0 BFADLO Clc1ccccc1C[NH2+]Cc1ccon1 ZINC000086452663 491061763 /nfs/dbraw/zinc/06/17/63/491061763.db2.gz CBNMYCRVUFAHAV-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO FC[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCO1 ZINC000334644544 354402960 /nfs/dbraw/zinc/40/29/60/354402960.db2.gz NFTIPIIRZGTRJI-LBPRGKRZSA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCO1 ZINC000334644544 354402961 /nfs/dbraw/zinc/40/29/61/354402961.db2.gz NFTIPIIRZGTRJI-LBPRGKRZSA-N 1 2 243.709 2.510 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ncccn1 ZINC000334662800 354462651 /nfs/dbraw/zinc/46/26/51/354462651.db2.gz RLHGDLLFWBPNGQ-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ncccn1 ZINC000334662800 354462655 /nfs/dbraw/zinc/46/26/55/354462655.db2.gz RLHGDLLFWBPNGQ-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000334649276 354440854 /nfs/dbraw/zinc/44/08/54/354440854.db2.gz JIOUCFWBHYAMBF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000334649276 354440856 /nfs/dbraw/zinc/44/08/56/354440856.db2.gz JIOUCFWBHYAMBF-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CC(C)(C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334698187 354489795 /nfs/dbraw/zinc/48/97/95/354489795.db2.gz XFQFZTHVAXLXGP-UHFFFAOYSA-N 1 2 235.331 2.594 20 0 BFADLO Cc1scc(CN2CCn3c[nH+]cc3C2)c1C ZINC000639192185 354546589 /nfs/dbraw/zinc/54/65/89/354546589.db2.gz QTAGVJNLSDFDCR-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1scc(C[N@@H+]2CCn3cncc3C2)c1C ZINC000639192185 354546591 /nfs/dbraw/zinc/54/65/91/354546591.db2.gz QTAGVJNLSDFDCR-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO Cc1scc(C[N@H+]2CCn3cncc3C2)c1C ZINC000639192185 354546593 /nfs/dbraw/zinc/54/65/93/354546593.db2.gz QTAGVJNLSDFDCR-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO C[C@H]1C[C@H](NC(=O)C2=CCCCC2)c2[nH+]ccn21 ZINC000334715174 354513545 /nfs/dbraw/zinc/51/35/45/354513545.db2.gz RCDURCUXOFNQLM-JQWIXIFHSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334802281 354558087 /nfs/dbraw/zinc/55/80/87/354558087.db2.gz ZYGZCLVZDPXAAM-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334802281 354558089 /nfs/dbraw/zinc/55/80/89/354558089.db2.gz ZYGZCLVZDPXAAM-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Fc1ccc2oc(C[N@H+]3CC[C@H](F)C3)nc2c1 ZINC000334808514 354564985 /nfs/dbraw/zinc/56/49/85/354564985.db2.gz GBYLDMZVYCBSEB-VIFPVBQESA-N 1 2 238.237 2.511 20 0 BFADLO Fc1ccc2oc(C[N@@H+]3CC[C@H](F)C3)nc2c1 ZINC000334808514 354564987 /nfs/dbraw/zinc/56/49/87/354564987.db2.gz GBYLDMZVYCBSEB-VIFPVBQESA-N 1 2 238.237 2.511 20 0 BFADLO CC[C@H]1CC[N@@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202461 354608271 /nfs/dbraw/zinc/60/82/71/354608271.db2.gz BVSFFKWDGFDLRM-STQMWFEESA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@H]1CC[N@H+]1[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202461 354608273 /nfs/dbraw/zinc/60/82/73/354608273.db2.gz BVSFFKWDGFDLRM-STQMWFEESA-N 1 2 248.374 2.910 20 0 BFADLO FC1(F)CC[N@H+](CCC2CCCC2)C1 ZINC000345921548 354827108 /nfs/dbraw/zinc/82/71/08/354827108.db2.gz KNLLKMIAYBLRFE-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO FC1(F)CC[N@@H+](CCC2CCCC2)C1 ZINC000345921548 354827111 /nfs/dbraw/zinc/82/71/11/354827111.db2.gz KNLLKMIAYBLRFE-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC[C@@H](C)C2)no1 ZINC000053602284 363417216 /nfs/dbraw/zinc/41/72/16/363417216.db2.gz YQWXERPQALAPJY-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC[C@@H](C)C2)no1 ZINC000053602284 363417221 /nfs/dbraw/zinc/41/72/21/363417221.db2.gz YQWXERPQALAPJY-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CC(C)c1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000053602357 363418832 /nfs/dbraw/zinc/41/88/32/363418832.db2.gz AILVCPXNCDWNRE-GHMZBOCLSA-N 1 2 237.347 2.671 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000053608655 363419994 /nfs/dbraw/zinc/41/99/94/363419994.db2.gz RCKZRXBGJNGLIN-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000053608655 363420002 /nfs/dbraw/zinc/42/00/02/363420002.db2.gz RCKZRXBGJNGLIN-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO CCCC[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000053607466 363420957 /nfs/dbraw/zinc/42/09/57/363420957.db2.gz CTPZKVNQXAULPW-UHFFFAOYSA-N 1 2 225.336 2.815 20 0 BFADLO CCCC[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000053607466 363420958 /nfs/dbraw/zinc/42/09/58/363420958.db2.gz CTPZKVNQXAULPW-UHFFFAOYSA-N 1 2 225.336 2.815 20 0 BFADLO CC(C)C[C@@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000053607390 363421308 /nfs/dbraw/zinc/42/13/08/363421308.db2.gz FBKAAKUDQLENBW-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)C[C@@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000053607390 363421310 /nfs/dbraw/zinc/42/13/10/363421310.db2.gz FBKAAKUDQLENBW-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cnccn1 ZINC000335140885 354845114 /nfs/dbraw/zinc/84/51/14/354845114.db2.gz ZEXDXAPHJHMRTH-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cnccn1 ZINC000335140885 354845118 /nfs/dbraw/zinc/84/51/18/354845118.db2.gz ZEXDXAPHJHMRTH-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ncccc2OC)o1 ZINC000449748221 202020445 /nfs/dbraw/zinc/02/04/45/202020445.db2.gz KVPBPSXHWPXHGZ-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO Cc1[nH+]cccc1Cc1nc(CC(C)(C)C)no1 ZINC000346395259 354909769 /nfs/dbraw/zinc/90/97/69/354909769.db2.gz VKGHCQLATOISQJ-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@H+]2CC[C@H](C)F)o1 ZINC000352001922 134025354 /nfs/dbraw/zinc/02/53/54/134025354.db2.gz DJSVGKAAUSBVLS-JQWIXIFHSA-N 1 2 241.306 2.709 20 0 BFADLO Cc1ccc([C@@H]2COCC[N@@H+]2CC[C@H](C)F)o1 ZINC000352001922 134025355 /nfs/dbraw/zinc/02/53/55/134025355.db2.gz DJSVGKAAUSBVLS-JQWIXIFHSA-N 1 2 241.306 2.709 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2cccnc2)cc[nH+]1 ZINC000346606451 354991839 /nfs/dbraw/zinc/99/18/39/354991839.db2.gz IVDIETQCKQXBOF-LLVKDONJSA-N 1 2 242.326 2.590 20 0 BFADLO Cc1ccc(-c2nc(Cn3cc[nH+]c3)cs2)o1 ZINC000346616595 354994038 /nfs/dbraw/zinc/99/40/38/354994038.db2.gz AEVADNKSGROHLX-UHFFFAOYSA-N 1 2 245.307 2.956 20 0 BFADLO COC[C@H](C)SCc1cc(OC)cc(C)[nH+]1 ZINC000346577016 354999025 /nfs/dbraw/zinc/99/90/25/354999025.db2.gz LADAKZJCUNVOAX-JTQLQIEISA-N 1 2 241.356 2.667 20 0 BFADLO COC[C@@H](C)SCc1cc(OC)cc(C)[nH+]1 ZINC000346577018 354999450 /nfs/dbraw/zinc/99/94/50/354999450.db2.gz LADAKZJCUNVOAX-SNVBAGLBSA-N 1 2 241.356 2.667 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000335194842 355027966 /nfs/dbraw/zinc/02/79/66/355027966.db2.gz OUVJZKVELPMJNC-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000335194842 355027969 /nfs/dbraw/zinc/02/79/69/355027969.db2.gz OUVJZKVELPMJNC-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1nc(N2CC[C@H](C(F)(F)F)[C@H]2C)cc[nH+]1 ZINC000335215086 355053471 /nfs/dbraw/zinc/05/34/71/355053471.db2.gz BMXQLFQFEKZOMZ-APPZFPTMSA-N 1 2 245.248 2.562 20 0 BFADLO Cc1cc(N2CC[C@@](C)(F)C2)nc(C(C)C)[nH+]1 ZINC000346696664 355059747 /nfs/dbraw/zinc/05/97/47/355059747.db2.gz SXDNIFCFCKZETI-CYBMUJFWSA-N 1 2 237.322 2.847 20 0 BFADLO Cc1csc(C[NH2+]Cc2ncc(C)o2)c1 ZINC000639226421 355084776 /nfs/dbraw/zinc/08/47/76/355084776.db2.gz GBHFAYVWUDNRCT-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1cc(NC(=O)C[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346817905 355123830 /nfs/dbraw/zinc/12/38/30/355123830.db2.gz PNLINLPRNSXCHC-YPMHNXCESA-N 1 2 246.354 2.967 20 0 BFADLO Clc1ccc(C2C[NH+](Cc3ccon3)C2)cc1 ZINC000639233707 355216623 /nfs/dbraw/zinc/21/66/23/355216623.db2.gz PPEQFYMOMQATTJ-UHFFFAOYSA-N 1 2 248.713 2.927 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000346937587 355183467 /nfs/dbraw/zinc/18/34/67/355183467.db2.gz MFKKXMOFSMCMMH-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000346937587 355183469 /nfs/dbraw/zinc/18/34/69/355183469.db2.gz MFKKXMOFSMCMMH-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CN(CC(C)(C)C)c1cc(NC2CC2)[nH+]cn1 ZINC000413118208 191356410 /nfs/dbraw/zinc/35/64/10/191356410.db2.gz UEWQLNBQPHRUNP-UHFFFAOYSA-N 1 2 234.347 2.533 20 0 BFADLO CN(CC(C)(C)C)c1cc(NC2CC2)nc[nH+]1 ZINC000413118208 191356413 /nfs/dbraw/zinc/35/64/13/191356413.db2.gz UEWQLNBQPHRUNP-UHFFFAOYSA-N 1 2 234.347 2.533 20 0 BFADLO c1nc(NC(C2CC2)C2CC2)cc(NC2CC2)[nH+]1 ZINC000413046180 191349975 /nfs/dbraw/zinc/34/99/75/191349975.db2.gz ROZWRBPQYPZVNM-UHFFFAOYSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(NC2CC2)cc(NC(C2CC2)C2CC2)[nH+]1 ZINC000413046180 191349978 /nfs/dbraw/zinc/34/99/78/191349978.db2.gz ROZWRBPQYPZVNM-UHFFFAOYSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc(NC2CC2)[nH+]1 ZINC000413466653 191383567 /nfs/dbraw/zinc/38/35/67/191383567.db2.gz YJDYTIIBACUYCK-ADEWGFFLSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(NC2CC2)cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000413466653 191383570 /nfs/dbraw/zinc/38/35/70/191383570.db2.gz YJDYTIIBACUYCK-ADEWGFFLSA-N 1 2 244.342 2.651 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000413455169 191385259 /nfs/dbraw/zinc/38/52/59/191385259.db2.gz JPSNIHMNSFCTJN-FRRDWIJNSA-N 1 2 243.354 2.685 20 0 BFADLO C[C@H]1CC(C)(C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000413555167 191396490 /nfs/dbraw/zinc/39/64/90/191396490.db2.gz CQBXNTCMXVLEJI-JTQLQIEISA-N 1 2 231.343 2.979 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C[C@@H]1C ZINC000413223585 191365538 /nfs/dbraw/zinc/36/55/38/191365538.db2.gz XCQVUQXYUPUHDZ-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C[C@@H]1C ZINC000413223585 191365539 /nfs/dbraw/zinc/36/55/39/191365539.db2.gz XCQVUQXYUPUHDZ-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO CC1(CCNc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413269702 191367918 /nfs/dbraw/zinc/36/79/18/191367918.db2.gz PTFUDOWSFANFQM-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CC1(CCNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413269702 191367921 /nfs/dbraw/zinc/36/79/21/191367921.db2.gz PTFUDOWSFANFQM-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(NC2CC2)[nH+]cn1 ZINC000413290990 191369352 /nfs/dbraw/zinc/36/93/52/191369352.db2.gz JIAABLAVUMIQFA-SNVBAGLBSA-N 1 2 232.331 2.651 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(NC2CC2)nc[nH+]1 ZINC000413290990 191369354 /nfs/dbraw/zinc/36/93/54/191369354.db2.gz JIAABLAVUMIQFA-SNVBAGLBSA-N 1 2 232.331 2.651 20 0 BFADLO Cc1nc(NCC2(C3CCC3)CCC2)cc[nH+]1 ZINC000413336966 191376187 /nfs/dbraw/zinc/37/61/87/191376187.db2.gz KKGUNDXSJGUDLN-UHFFFAOYSA-N 1 2 231.343 2.589 20 0 BFADLO C[C@@H](CC(=O)N1[C@H](C)CCC1(C)C)n1cc[nH+]c1 ZINC000583503030 355334904 /nfs/dbraw/zinc/33/49/04/355334904.db2.gz NOTXBSJZJZINKJ-NEPJUHHUSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@H](CC(=O)N1[C@H](C)CCC[C@@H]1C)n1cc[nH+]c1 ZINC000583503362 355335136 /nfs/dbraw/zinc/33/51/36/355335136.db2.gz ZCYHELJBCPPONV-FRRDWIJNSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1scc(C[NH+]2CC(OC(F)F)C2)c1C ZINC000639265789 355325999 /nfs/dbraw/zinc/32/59/99/355325999.db2.gz LCEGIGAMUBWPDY-UHFFFAOYSA-N 1 2 247.310 2.788 20 0 BFADLO Cc1occc1C[NH2+]Cc1cn2ccsc2n1 ZINC000414295589 191483978 /nfs/dbraw/zinc/48/39/78/191483978.db2.gz DBZXUXSFJCKJIZ-UHFFFAOYSA-N 1 2 247.323 2.587 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000583505225 355338366 /nfs/dbraw/zinc/33/83/66/355338366.db2.gz XFYQQBWBPNLYBC-LBPRGKRZSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000583505225 355338370 /nfs/dbraw/zinc/33/83/70/355338370.db2.gz XFYQQBWBPNLYBC-LBPRGKRZSA-N 1 2 239.338 2.572 20 0 BFADLO Cc1ccc(CSc2ncccn2)c(C)[nH+]1 ZINC000335790940 355443043 /nfs/dbraw/zinc/44/30/43/355443043.db2.gz ZFCRZKRVZRSAHS-UHFFFAOYSA-N 1 2 231.324 2.781 20 0 BFADLO CC(C)(CF)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000349814074 355467895 /nfs/dbraw/zinc/46/78/95/355467895.db2.gz RBVOCFKDLPSILU-UHFFFAOYSA-N 1 2 247.317 2.710 20 0 BFADLO Cc1ccccc1C[N@@H+](Cc1cnc[nH]1)C1CC1 ZINC000349950560 355534379 /nfs/dbraw/zinc/53/43/79/355534379.db2.gz YITIMLWEVMAGLG-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO CC[N@H+](CCOC)Cc1csc(C(C)C)n1 ZINC000349860476 355508090 /nfs/dbraw/zinc/50/80/90/355508090.db2.gz HAFHRMGYQGHQND-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO CC[N@@H+](CCOC)Cc1csc(C(C)C)n1 ZINC000349860476 355508095 /nfs/dbraw/zinc/50/80/95/355508095.db2.gz HAFHRMGYQGHQND-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO C[C@H](CC1CCOCC1)C[N@H+](C)CC(F)F ZINC000350022416 355576793 /nfs/dbraw/zinc/57/67/93/355576793.db2.gz XQPRIKZANQBEJF-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO C[C@H](CC1CCOCC1)C[N@@H+](C)CC(F)F ZINC000350022416 355576798 /nfs/dbraw/zinc/57/67/98/355576798.db2.gz XQPRIKZANQBEJF-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO Cc1oncc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000335874739 355642889 /nfs/dbraw/zinc/64/28/89/355642889.db2.gz OYPWSDIRKBVQSQ-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1oncc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000335874739 355642893 /nfs/dbraw/zinc/64/28/93/355642893.db2.gz OYPWSDIRKBVQSQ-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000639302402 355647643 /nfs/dbraw/zinc/64/76/43/355647643.db2.gz FFXYJWIXYBEAPJ-GHMZBOCLSA-N 1 2 234.343 2.796 20 0 BFADLO CO[C@@H](CNc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000639302460 355647832 /nfs/dbraw/zinc/64/78/32/355647832.db2.gz FVGKUQWDRJCVFO-HNNXBMFYSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@@H](Nc1c[nH+]cc2c1CCCC2)[C@H]1CCCO1 ZINC000639303498 355653515 /nfs/dbraw/zinc/65/35/15/355653515.db2.gz RPQXEPOTAHGZFQ-IAQYHMDHSA-N 1 2 246.354 2.940 20 0 BFADLO Cc1ccc2c(c1)C[N@H+]([C@H](C)c1cnccn1)C2 ZINC000335863092 355627010 /nfs/dbraw/zinc/62/70/10/355627010.db2.gz QDHCVXYVFMQTLM-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+]([C@H](C)c1cnccn1)C2 ZINC000335863092 355627013 /nfs/dbraw/zinc/62/70/13/355627013.db2.gz QDHCVXYVFMQTLM-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CS[C@@H](C)C2)c1 ZINC000639313174 355684427 /nfs/dbraw/zinc/68/44/27/355684427.db2.gz PCLDCSQWEQAFDF-GXSJLCMTSA-N 1 2 238.356 2.534 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CS[C@H](C)C2)c1 ZINC000639313276 355685199 /nfs/dbraw/zinc/68/51/99/355685199.db2.gz PCLDCSQWEQAFDF-MWLCHTKSSA-N 1 2 238.356 2.534 20 0 BFADLO CC(C)n1c[nH+]cc1CN(CC(F)F)C1CC1 ZINC000425339631 191810960 /nfs/dbraw/zinc/81/09/60/191810960.db2.gz SQNYVRBIMFDKBD-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccsc2)o1 ZINC000608491994 355814949 /nfs/dbraw/zinc/81/49/49/355814949.db2.gz OOCIKQBUFOWHPF-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccsc2)o1 ZINC000608491994 355814951 /nfs/dbraw/zinc/81/49/51/355814951.db2.gz OOCIKQBUFOWHPF-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CC1(F)F ZINC000639365705 355839605 /nfs/dbraw/zinc/83/96/05/355839605.db2.gz ROENVZXUQOKLPI-KWQFWETISA-N 1 2 241.285 2.603 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@@H](CC)C2)o1 ZINC000608510578 355832527 /nfs/dbraw/zinc/83/25/27/355832527.db2.gz HRCJWHWZSJTEET-NSHDSACASA-N 1 2 240.372 2.564 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@@H](CC)C2)o1 ZINC000608510578 355832530 /nfs/dbraw/zinc/83/25/30/355832530.db2.gz HRCJWHWZSJTEET-NSHDSACASA-N 1 2 240.372 2.564 20 0 BFADLO CCc1cc(NCCCOCC(C)C)nc[nH+]1 ZINC000223444357 355900738 /nfs/dbraw/zinc/90/07/38/355900738.db2.gz ALEFIVQVVZSPCF-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO CCCC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583634581 355942449 /nfs/dbraw/zinc/94/24/49/355942449.db2.gz ZHDIQAAPUZVBRD-NSHDSACASA-N 1 2 237.347 2.529 20 0 BFADLO CC(C)=CC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608751285 355964030 /nfs/dbraw/zinc/96/40/30/355964030.db2.gz SRQLYENYZZARCK-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000608751285 355964033 /nfs/dbraw/zinc/96/40/33/355964033.db2.gz SRQLYENYZZARCK-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO CC1(C)C[NH+](Cc2ncccc2C(F)(F)F)C1 ZINC000639393322 356070182 /nfs/dbraw/zinc/07/01/82/356070182.db2.gz JGFJZMYYBZWRDS-UHFFFAOYSA-N 1 2 244.260 2.942 20 0 BFADLO C[C@@]1(F)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335915940 356155806 /nfs/dbraw/zinc/15/58/06/356155806.db2.gz WCANPLWSHSNDEN-GFCCVEGCSA-N 1 2 219.263 2.501 20 0 BFADLO CCN1C(=O)C(C)(C)[NH2+]C12CCC(C)(C)CC2 ZINC000639425992 356206612 /nfs/dbraw/zinc/20/66/12/356206612.db2.gz DGTWVFMXHATYGT-UHFFFAOYSA-N 1 2 238.375 2.513 20 0 BFADLO COC[C@@H](Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000087481815 491089060 /nfs/dbraw/zinc/08/90/60/491089060.db2.gz JEQZEJJTLBUKLC-CYBMUJFWSA-N 1 2 220.316 2.535 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000352397150 356336608 /nfs/dbraw/zinc/33/66/08/356336608.db2.gz HSXPPLKVEMNCJF-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000352397150 356336611 /nfs/dbraw/zinc/33/66/11/356336611.db2.gz HSXPPLKVEMNCJF-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CC(=O)C[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000639514950 356355815 /nfs/dbraw/zinc/35/58/15/356355815.db2.gz HIXNTTGPZHQQDS-UHFFFAOYSA-N 1 2 247.313 2.894 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C)c[nH+]1 ZINC000547540609 356366146 /nfs/dbraw/zinc/36/61/46/356366146.db2.gz AGUDOUBLWDGPDI-IUODEOHRSA-N 1 2 246.354 2.741 20 0 BFADLO CC1(NC(=O)CCCn2cc[nH+]c2)CCCCC1 ZINC000623275524 356411746 /nfs/dbraw/zinc/41/17/46/356411746.db2.gz DFFBJSDDTOQOBO-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO Cc1cc(N2CC[C@H](C3CCCC3)C2)nc[nH+]1 ZINC000420617075 192249212 /nfs/dbraw/zinc/24/92/12/192249212.db2.gz JHWYCXNEONECGZ-ZDUSSCGKSA-N 1 2 231.343 2.802 20 0 BFADLO CC[C@@H](O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000420622947 192250444 /nfs/dbraw/zinc/25/04/44/192250444.db2.gz GRXQARJTSPQOOF-SNVBAGLBSA-N 1 2 248.301 2.865 20 0 BFADLO CCc1cc(NCc2ccc(F)c(F)c2)nc[nH+]1 ZINC000049577886 356489260 /nfs/dbraw/zinc/48/92/60/356489260.db2.gz NGXDHKTXUJWKDF-UHFFFAOYSA-N 1 2 249.264 2.929 20 0 BFADLO CC[C@H](C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000420647612 192255297 /nfs/dbraw/zinc/25/52/97/192255297.db2.gz CDOZZBXWTIXXNY-VIFPVBQESA-N 1 2 220.320 2.509 20 0 BFADLO CC[C@H](C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000420647612 192255298 /nfs/dbraw/zinc/25/52/98/192255298.db2.gz CDOZZBXWTIXXNY-VIFPVBQESA-N 1 2 220.320 2.509 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCC2(CC2)C1 ZINC000639590228 356512481 /nfs/dbraw/zinc/51/24/81/356512481.db2.gz UDSMXONIPGQGDJ-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCC2(CC2)C1 ZINC000639590228 356512488 /nfs/dbraw/zinc/51/24/88/356512488.db2.gz UDSMXONIPGQGDJ-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CC(=O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000639581708 356502176 /nfs/dbraw/zinc/50/21/76/356502176.db2.gz XYDWLZBICGSHLH-LLVKDONJSA-N 1 2 244.294 2.581 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cscn2)C[C@H](CC)O1 ZINC000420944999 192276057 /nfs/dbraw/zinc/27/60/57/192276057.db2.gz JYEKSBHCPRYEKD-TXEJJXNPSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cscn2)C[C@H](CC)O1 ZINC000420944999 192276060 /nfs/dbraw/zinc/27/60/60/192276060.db2.gz JYEKSBHCPRYEKD-TXEJJXNPSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2nccs2)C[C@H](CC)O1 ZINC000420955455 192279770 /nfs/dbraw/zinc/27/97/70/192279770.db2.gz LQZRINQGXHINOR-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2nccs2)C[C@H](CC)O1 ZINC000420955455 192279772 /nfs/dbraw/zinc/27/97/72/192279772.db2.gz LQZRINQGXHINOR-PHIMTYICSA-N 1 2 240.372 2.533 20 0 BFADLO FC1(F)COCC[N@H+](CCCC2CCC2)C1 ZINC000660560972 491094226 /nfs/dbraw/zinc/09/42/26/491094226.db2.gz PMUBBPPLVHYMJI-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)COCC[N@@H+](CCCC2CCC2)C1 ZINC000660560972 491094227 /nfs/dbraw/zinc/09/42/27/491094227.db2.gz PMUBBPPLVHYMJI-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO CC1=C[C@H](C)C[N@H+](CC(=O)c2ccccc2F)C1 ZINC000639624410 356537604 /nfs/dbraw/zinc/53/76/04/356537604.db2.gz QMDSWYOBPVGXCE-NSHDSACASA-N 1 2 247.313 2.906 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000639624410 356537611 /nfs/dbraw/zinc/53/76/11/356537611.db2.gz QMDSWYOBPVGXCE-NSHDSACASA-N 1 2 247.313 2.906 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(F)F ZINC000228483807 491095295 /nfs/dbraw/zinc/09/52/95/491095295.db2.gz HJJOAFIVTKLXBV-GZMMTYOYSA-N 1 2 211.255 2.917 20 0 BFADLO CC[C@@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000421207261 192313278 /nfs/dbraw/zinc/31/32/78/192313278.db2.gz VVCYHYUZPVHQJW-RISCZKNCSA-N 1 2 249.354 2.845 20 0 BFADLO CCOC1CC2(C1)CC[N@H+](CC(F)(F)CC)C2 ZINC000639643418 356556398 /nfs/dbraw/zinc/55/63/98/356556398.db2.gz HPCKYMUBLQHSBS-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CCOC1CC2(C1)CC[N@@H+](CC(F)(F)CC)C2 ZINC000639643418 356556400 /nfs/dbraw/zinc/55/64/00/356556400.db2.gz HPCKYMUBLQHSBS-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CC(=O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000639648809 356560915 /nfs/dbraw/zinc/56/09/15/356560915.db2.gz PYVNKSXWCOOSNL-LLVKDONJSA-N 1 2 223.341 2.720 20 0 BFADLO CC(=O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000639648809 356560918 /nfs/dbraw/zinc/56/09/18/356560918.db2.gz PYVNKSXWCOOSNL-LLVKDONJSA-N 1 2 223.341 2.720 20 0 BFADLO CCOC1(C)CC[NH+](CC(F)(F)CC)CC1 ZINC000639652362 356564078 /nfs/dbraw/zinc/56/40/78/356564078.db2.gz PUWBZSUNIJQBCA-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CCOC[C@H]1CCCC[N@@H+]1CC(F)(F)CC ZINC000639671426 356587921 /nfs/dbraw/zinc/58/79/21/356587921.db2.gz WPQJKQLRWTWDJO-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CCOC[C@H]1CCCC[N@H+]1CC(F)(F)CC ZINC000639671426 356587924 /nfs/dbraw/zinc/58/79/24/356587924.db2.gz WPQJKQLRWTWDJO-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CCO[C@@H]1CC[N@H+](CC(F)(F)CC)C[C@H]1C ZINC000639665337 356579788 /nfs/dbraw/zinc/57/97/88/356579788.db2.gz XRZGUHSCZSHZHO-GHMZBOCLSA-N 1 2 235.318 2.779 20 0 BFADLO CCO[C@@H]1CC[N@@H+](CC(F)(F)CC)C[C@H]1C ZINC000639665337 356579793 /nfs/dbraw/zinc/57/97/93/356579793.db2.gz XRZGUHSCZSHZHO-GHMZBOCLSA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000639666496 356581025 /nfs/dbraw/zinc/58/10/25/356581025.db2.gz STVSQCBSBSBLLB-SNVBAGLBSA-N 1 2 235.343 2.859 20 0 BFADLO CCC(F)(F)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000639666496 356581029 /nfs/dbraw/zinc/58/10/29/356581029.db2.gz STVSQCBSBSBLLB-SNVBAGLBSA-N 1 2 235.343 2.859 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCC[C@H]1COC ZINC000639668977 356583198 /nfs/dbraw/zinc/58/31/98/356583198.db2.gz WKCMCQWKSCZJLB-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCC[C@H]1COC ZINC000639668977 356583203 /nfs/dbraw/zinc/58/32/03/356583203.db2.gz WKCMCQWKSCZJLB-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCOC[C@@H]1CCCC[N@@H+]1CC(F)(F)CC ZINC000639671427 356587350 /nfs/dbraw/zinc/58/73/50/356587350.db2.gz WPQJKQLRWTWDJO-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO CCOC[C@@H]1CCCC[N@H+]1CC(F)(F)CC ZINC000639671427 356587351 /nfs/dbraw/zinc/58/73/51/356587351.db2.gz WPQJKQLRWTWDJO-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000639749765 356644084 /nfs/dbraw/zinc/64/40/84/356644084.db2.gz KDPWVZFLPAJPPF-RYUDHWBXSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1nc(C2CCC2)no1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000639749765 356644088 /nfs/dbraw/zinc/64/40/88/356644088.db2.gz KDPWVZFLPAJPPF-RYUDHWBXSA-N 1 2 247.342 2.712 20 0 BFADLO Cc1cccc(Cl)c1C[N@H+]1CCOC[C@H]1C ZINC000450256365 202111797 /nfs/dbraw/zinc/11/17/97/202111797.db2.gz PQMSVUZUAVPSQW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1C ZINC000450256365 202111799 /nfs/dbraw/zinc/11/17/99/202111799.db2.gz PQMSVUZUAVPSQW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc([C@@H](C)c2noc(C[NH+](C)C)n2)cc1 ZINC000350645411 366314123 /nfs/dbraw/zinc/31/41/23/366314123.db2.gz LHDFKCIFHJKRLW-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO Cc1ncccc1C[NH2+][C@@H](C)c1cscn1 ZINC000578143912 366323773 /nfs/dbraw/zinc/32/37/73/366323773.db2.gz BSHWZBMJPOTRSW-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1CCC(F)(F)C1 ZINC000450354069 202140741 /nfs/dbraw/zinc/14/07/41/202140741.db2.gz JCSMCMKVSSRXHU-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1CCC(F)(F)C1 ZINC000450354069 202140744 /nfs/dbraw/zinc/14/07/44/202140744.db2.gz JCSMCMKVSSRXHU-ZETCQYMHSA-N 1 2 213.218 2.619 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1)C(C)(F)F ZINC000389456392 356677604 /nfs/dbraw/zinc/67/76/04/356677604.db2.gz AJGMMFGBVNTJBN-MRVPVSSYSA-N 1 2 217.234 2.959 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(O)c1)C(C)(F)F ZINC000389457492 356678720 /nfs/dbraw/zinc/67/87/20/356678720.db2.gz BNTWEHWEFHJPNS-MRVPVSSYSA-N 1 2 215.243 2.526 20 0 BFADLO C[C@H]([NH2+]Cc1ccsc1)C(C)(F)F ZINC000389482144 356688899 /nfs/dbraw/zinc/68/88/99/356688899.db2.gz WQKRCXNDSDIEHL-ZETCQYMHSA-N 1 2 205.273 2.881 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000179911538 366334122 /nfs/dbraw/zinc/33/41/22/366334122.db2.gz KCNYKUFAMLHUNM-NSHDSACASA-N 1 2 241.338 2.665 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000179911538 366334126 /nfs/dbraw/zinc/33/41/26/366334126.db2.gz KCNYKUFAMLHUNM-NSHDSACASA-N 1 2 241.338 2.665 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389467536 356681954 /nfs/dbraw/zinc/68/19/54/356681954.db2.gz KUZZLEMWLBQAQD-SSDOTTSWSA-N 1 2 234.315 2.839 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389467537 356682145 /nfs/dbraw/zinc/68/21/45/356682145.db2.gz KUZZLEMWLBQAQD-ZETCQYMHSA-N 1 2 234.315 2.839 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1F)C(C)(F)F ZINC000389466484 356682186 /nfs/dbraw/zinc/68/21/86/356682186.db2.gz LCJCFRNAPQGYQS-QMMMGPOBSA-N 1 2 217.234 2.959 20 0 BFADLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC000035044803 356703472 /nfs/dbraw/zinc/70/34/72/356703472.db2.gz HFZRBDDJDBYYQV-AWEZNQCLSA-N 1 2 249.354 2.672 20 0 BFADLO Fc1cccc(CCNc2cccc[nH+]2)c1 ZINC000035137413 356703855 /nfs/dbraw/zinc/70/38/55/356703855.db2.gz AHURJWOGPCDNGM-UHFFFAOYSA-N 1 2 216.259 2.875 20 0 BFADLO CCC[C@](C)([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450419800 202160933 /nfs/dbraw/zinc/16/09/33/202160933.db2.gz OYVADMCWNZZJMW-AWEZNQCLSA-N 1 2 239.359 2.808 20 0 BFADLO CCc1cc(N2CCCC23CCC3)nc(C)[nH+]1 ZINC000443955969 538572813 /nfs/dbraw/zinc/57/28/13/538572813.db2.gz HPHXRRKYOFRAJK-UHFFFAOYSA-N 1 2 231.343 2.870 20 0 BFADLO CC[N@H+](CC[C@@H](C)O)c1cccc(C)c1C ZINC000450522393 202188872 /nfs/dbraw/zinc/18/88/72/202188872.db2.gz XKHPEJHMIKWZHZ-GFCCVEGCSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@@H](C)O)c1cccc(C)c1C ZINC000450522393 202188875 /nfs/dbraw/zinc/18/88/75/202188875.db2.gz XKHPEJHMIKWZHZ-GFCCVEGCSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccccc1[N@H+](CC[C@@H](C)O)C(C)C ZINC000450556997 202196548 /nfs/dbraw/zinc/19/65/48/202196548.db2.gz NGWSCHPLXSKUTD-CYBMUJFWSA-N 1 2 221.344 2.981 20 0 BFADLO Cc1ccccc1[N@@H+](CC[C@@H](C)O)C(C)C ZINC000450556997 202196550 /nfs/dbraw/zinc/19/65/50/202196550.db2.gz NGWSCHPLXSKUTD-CYBMUJFWSA-N 1 2 221.344 2.981 20 0 BFADLO COCC[N@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000054361501 363570080 /nfs/dbraw/zinc/57/00/80/363570080.db2.gz GAWFKCACZIGBPU-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO COCC[N@@H+](C)Cc1csc(C(C)(C)C)n1 ZINC000054361501 363570087 /nfs/dbraw/zinc/57/00/87/363570087.db2.gz GAWFKCACZIGBPU-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO Cc1ccccc1CCN(C)c1cc[nH+]c(C)n1 ZINC000450581559 202203667 /nfs/dbraw/zinc/20/36/67/202203667.db2.gz AGLWRIPGGSOGJI-UHFFFAOYSA-N 1 2 241.338 2.772 20 0 BFADLO CCOc1cc(CNc2cccc[nH+]2)ccc1O ZINC000019777113 356987981 /nfs/dbraw/zinc/98/79/81/356987981.db2.gz MCGPWJIWQOSNFQ-UHFFFAOYSA-N 1 2 244.294 2.798 20 0 BFADLO COc1cccc2c(N3CC[C@H](F)C3)cc[nH+]c12 ZINC000450601177 202207959 /nfs/dbraw/zinc/20/79/59/202207959.db2.gz AQPBXIQYGJCXQZ-JTQLQIEISA-N 1 2 246.285 2.792 20 0 BFADLO CC1=C[C@H](C)C[C@@H](CNc2c[nH]c[nH+]2)C1 ZINC000389711163 357017808 /nfs/dbraw/zinc/01/78/08/357017808.db2.gz MJIJCKJCAKJEHW-GXSJLCMTSA-N 1 2 205.305 2.814 20 0 BFADLO FC1(F)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000585380178 538801250 /nfs/dbraw/zinc/80/12/50/538801250.db2.gz JAOXSXKAJBVRHA-UHFFFAOYSA-N 1 2 239.269 2.590 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1ccc(CC)cc1 ZINC000050051321 357281917 /nfs/dbraw/zinc/28/19/17/357281917.db2.gz QXTDRQRZYGMZEF-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(CC)cc1 ZINC000050051321 357281919 /nfs/dbraw/zinc/28/19/19/357281919.db2.gz QXTDRQRZYGMZEF-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC1CCC1 ZINC000639900688 357285289 /nfs/dbraw/zinc/28/52/89/357285289.db2.gz VSHWGXBQTCHAPT-LLVKDONJSA-N 1 2 247.342 2.512 20 0 BFADLO Cc1ccc(CNc2c[nH]c[nH+]2)cc1C ZINC000393604219 357288938 /nfs/dbraw/zinc/28/89/38/357288938.db2.gz BKXOGHVEIGOQFE-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO c1cc(C[NH+]2CC3(C2)CCCO3)cc(C2CC2)c1 ZINC000628427534 357256995 /nfs/dbraw/zinc/25/69/95/357256995.db2.gz IFRXYEMBRUOMJM-UHFFFAOYSA-N 1 2 243.350 2.929 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628426963 357257691 /nfs/dbraw/zinc/25/76/91/357257691.db2.gz XJDTXKWSIZDDCV-DGCLKSJQSA-N 1 2 247.338 2.768 20 0 BFADLO CCC(O)(CC)C[N@@H+](C)CC(F)(F)CC ZINC000639898056 357271018 /nfs/dbraw/zinc/27/10/18/357271018.db2.gz WRKCILAIGJVLIV-UHFFFAOYSA-N 1 2 223.307 2.515 20 0 BFADLO CCC(O)(CC)C[N@H+](C)CC(F)(F)CC ZINC000639898056 357271021 /nfs/dbraw/zinc/27/10/21/357271021.db2.gz WRKCILAIGJVLIV-UHFFFAOYSA-N 1 2 223.307 2.515 20 0 BFADLO Cc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000393205181 357279788 /nfs/dbraw/zinc/27/97/88/357279788.db2.gz FMWXNBSORLXPPY-UHTWSYAYSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1nsc(C)c1C[N@@H+]1CCC=C(F)C1 ZINC000582584518 357345317 /nfs/dbraw/zinc/34/53/17/357345317.db2.gz QTGNMWCHZBDPPL-UHFFFAOYSA-N 1 2 226.320 2.819 20 0 BFADLO Cc1nsc(C)c1C[N@H+]1CCC=C(F)C1 ZINC000582584518 357345319 /nfs/dbraw/zinc/34/53/19/357345319.db2.gz QTGNMWCHZBDPPL-UHFFFAOYSA-N 1 2 226.320 2.819 20 0 BFADLO Cc1ccc(CNc2ccc[nH+]c2C)cn1 ZINC000157623073 538833253 /nfs/dbraw/zinc/83/32/53/538833253.db2.gz DAYHBEPSHVPVQW-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CCCN(C)c1nc(C2CC2)[nH+]c(C)c1OC ZINC000583153354 357496675 /nfs/dbraw/zinc/49/66/75/357496675.db2.gz LMMWMTZVSIQSRB-UHFFFAOYSA-N 1 2 235.331 2.517 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)o1 ZINC000584368310 357446874 /nfs/dbraw/zinc/44/68/74/357446874.db2.gz IJTGEZRJDZNDMM-UHFFFAOYSA-N 1 2 247.342 2.909 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CC(C)(C)OC1(C)C ZINC000583035959 357465424 /nfs/dbraw/zinc/46/54/24/357465424.db2.gz ZIWWBMGHIXPQPK-NSHDSACASA-N 1 2 249.358 2.851 20 0 BFADLO CCCC[N@H+](Cc1noc(CCC)n1)C1CC1 ZINC000054989161 363583378 /nfs/dbraw/zinc/58/33/78/363583378.db2.gz FIANBWVMQNDDON-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCC[N@@H+](Cc1noc(CCC)n1)C1CC1 ZINC000054989161 363583383 /nfs/dbraw/zinc/58/33/83/363583383.db2.gz FIANBWVMQNDDON-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO Cc1[nH]c(CNc2cc(F)cc(F)c2)[nH+]c1C ZINC000583095777 357479127 /nfs/dbraw/zinc/47/91/27/357479127.db2.gz UWSMQPZOJQLZRG-UHFFFAOYSA-N 1 2 237.253 2.917 20 0 BFADLO CCCCc1nc(Cn2cc[nH+]c2)cs1 ZINC000063483796 357659864 /nfs/dbraw/zinc/65/98/64/357659864.db2.gz BGJNDAGKSRRAHQ-UHFFFAOYSA-N 1 2 221.329 2.731 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1F ZINC000192147340 357824542 /nfs/dbraw/zinc/82/45/42/357824542.db2.gz DQMCDMKEJRUPTI-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(F)c(F)c1 ZINC000192147483 357824547 /nfs/dbraw/zinc/82/45/47/357824547.db2.gz LRMQIEPJHRPSOZ-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO COc1cccc(CSCc2[nH+]ccn2C)c1 ZINC000064369391 357819755 /nfs/dbraw/zinc/81/97/55/357819755.db2.gz IUCCPQUCOAYEBR-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@H]1c1ccco1 ZINC000639926403 357850705 /nfs/dbraw/zinc/85/07/05/357850705.db2.gz XELGLSZWOIFFEB-LBPRGKRZSA-N 1 2 232.283 2.851 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@H]1c1ccco1 ZINC000639926403 357850710 /nfs/dbraw/zinc/85/07/10/357850710.db2.gz XELGLSZWOIFFEB-LBPRGKRZSA-N 1 2 232.283 2.851 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2cn[nH]c2C)c1 ZINC000639971806 358031256 /nfs/dbraw/zinc/03/12/56/358031256.db2.gz XEESHCPYKHYJBH-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2cn[nH]c2C)c1 ZINC000639971806 358031261 /nfs/dbraw/zinc/03/12/61/358031261.db2.gz XEESHCPYKHYJBH-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CC/C=C\CC[N@H+](C)Cc1cn[nH]c1C ZINC000639971900 358031472 /nfs/dbraw/zinc/03/14/72/358031472.db2.gz ZRELRBBARRVJBH-WAYWQWQTSA-N 1 2 207.321 2.506 20 0 BFADLO CC/C=C\CC[N@@H+](C)Cc1cn[nH]c1C ZINC000639971900 358031477 /nfs/dbraw/zinc/03/14/77/358031477.db2.gz ZRELRBBARRVJBH-WAYWQWQTSA-N 1 2 207.321 2.506 20 0 BFADLO CC(C)c1ccoc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000584557669 358056346 /nfs/dbraw/zinc/05/63/46/358056346.db2.gz IAPNAFJRHFJZSG-SECBINFHSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(F)ccc1F ZINC000036922029 358056561 /nfs/dbraw/zinc/05/65/61/358056561.db2.gz ORFUCFMSVKMHNJ-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1c[nH+]cc(CCc2nc(C(C)C)no2)c1 ZINC000350539919 358090066 /nfs/dbraw/zinc/09/00/66/358090066.db2.gz ZCMSXQTVSRPCNT-UHFFFAOYSA-N 1 2 231.299 2.682 20 0 BFADLO CCN(CCCn1cc[nH+]c1)[C@@H](C)C(F)(F)F ZINC000640053298 358141258 /nfs/dbraw/zinc/14/12/58/358141258.db2.gz MVRWMBVEMBKUSO-JTQLQIEISA-N 1 2 249.280 2.546 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C(C)(C)F)n1 ZINC000351126132 358158179 /nfs/dbraw/zinc/15/81/79/358158179.db2.gz CWNPQCSNGRXOLK-UHFFFAOYSA-N 1 2 249.289 2.763 20 0 BFADLO C[C@H]1C[C@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966367 358156057 /nfs/dbraw/zinc/15/60/57/358156057.db2.gz HAJXLHAPEWOXHZ-JOYOIKCWSA-N 1 2 241.294 2.671 20 0 BFADLO Cc1ccc2[nH+]c(CN3CCCCCO3)cn2c1 ZINC000640123494 358203180 /nfs/dbraw/zinc/20/31/80/358203180.db2.gz QJQBBKLHWZHAIO-UHFFFAOYSA-N 1 2 245.326 2.560 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC(C)(C)F ZINC000640128892 358206870 /nfs/dbraw/zinc/20/68/70/358206870.db2.gz QIUCKVJQMDHFCL-UHFFFAOYSA-N 1 2 239.294 2.568 20 0 BFADLO Cc1ccc2[nH+]c(NCC(C)C)[nH]c2c1 ZINC000041601192 358225150 /nfs/dbraw/zinc/22/51/50/358225150.db2.gz GODLAUCRHSVUTC-UHFFFAOYSA-N 1 2 203.289 2.939 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1CC)c1[nH]cc[nH+]1 ZINC000450672763 202232803 /nfs/dbraw/zinc/23/28/03/202232803.db2.gz LOGNCROCQPELMX-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO O[C@@H]1CCC[C@H]1[C@H]1CCCCN1c1cccc[nH+]1 ZINC000450685613 202234551 /nfs/dbraw/zinc/23/45/51/202234551.db2.gz STWKKGXHWGLVPA-BFHYXJOUSA-N 1 2 246.354 2.602 20 0 BFADLO O[C@@H]1CCC[C@H]1[C@@H]1CCCCN1c1cccc[nH+]1 ZINC000450685615 202234892 /nfs/dbraw/zinc/23/48/92/202234892.db2.gz STWKKGXHWGLVPA-MELADBBJSA-N 1 2 246.354 2.602 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000041014196 358240159 /nfs/dbraw/zinc/24/01/59/358240159.db2.gz NVCRSZNCHGBSBW-CYBMUJFWSA-N 1 2 233.290 2.790 20 0 BFADLO CCCCc1nc(CCc2[nH+]cccc2C)no1 ZINC000351125278 366417195 /nfs/dbraw/zinc/41/71/95/366417195.db2.gz ACWFLFNNLUOHKR-UHFFFAOYSA-N 1 2 245.326 2.901 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(CC2CC2)n1 ZINC000351131376 366419938 /nfs/dbraw/zinc/41/99/38/366419938.db2.gz PEEOGHFYGXUOGV-UHFFFAOYSA-N 1 2 243.310 2.511 20 0 BFADLO CCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029951591 358446293 /nfs/dbraw/zinc/44/62/93/358446293.db2.gz RMNWTDFJLHJVDC-UHFFFAOYSA-N 1 2 229.283 2.611 20 0 BFADLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000035019266 358450768 /nfs/dbraw/zinc/45/07/68/358450768.db2.gz MZPXMEYCFHUUGJ-OCCSQVGLSA-N 1 2 249.354 2.925 20 0 BFADLO C[C@@H](O)C[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000130355811 358620517 /nfs/dbraw/zinc/62/05/17/358620517.db2.gz VFUBZCBCPCCISD-GHMZBOCLSA-N 1 2 230.311 2.806 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000134979231 358813922 /nfs/dbraw/zinc/81/39/22/358813922.db2.gz PAKMUVORUCFNHD-AAEUAGOBSA-N 1 2 235.327 2.597 20 0 BFADLO COC[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000053173429 358814903 /nfs/dbraw/zinc/81/49/03/358814903.db2.gz RMGCOBWKRWYWOJ-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO CSc1cccc(N(C)Cc2c[nH+]cn2C)c1 ZINC000177038605 134294079 /nfs/dbraw/zinc/29/40/79/134294079.db2.gz SSMADFBOMZMPCN-UHFFFAOYSA-N 1 2 247.367 2.778 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000053608954 358830509 /nfs/dbraw/zinc/83/05/09/358830509.db2.gz PMPKXFCRIZEGLT-JTQLQIEISA-N 1 2 225.336 2.813 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000053608954 358830512 /nfs/dbraw/zinc/83/05/12/358830512.db2.gz PMPKXFCRIZEGLT-JTQLQIEISA-N 1 2 225.336 2.813 20 0 BFADLO CCCC[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000053607462 358835828 /nfs/dbraw/zinc/83/58/28/358835828.db2.gz NVYPOGOWVFZDKV-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CCCC[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000053607462 358835832 /nfs/dbraw/zinc/83/58/32/358835832.db2.gz NVYPOGOWVFZDKV-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CC[C@H]1CCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000053602210 358835864 /nfs/dbraw/zinc/83/58/64/358835864.db2.gz MIJZIZMLBAQKQY-NSHDSACASA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@H]1CCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000053602210 358835866 /nfs/dbraw/zinc/83/58/66/358835866.db2.gz MIJZIZMLBAQKQY-NSHDSACASA-N 1 2 235.331 2.712 20 0 BFADLO Cc1ncsc1C[NH2+]C(C)(C)C(F)F ZINC000308727378 491137921 /nfs/dbraw/zinc/13/79/21/491137921.db2.gz HHSGRYRZMMRELZ-UHFFFAOYSA-N 1 2 220.288 2.585 20 0 BFADLO Cc1nc(NCCc2cccc(F)c2)cc[nH+]1 ZINC000054935874 358878568 /nfs/dbraw/zinc/87/85/68/358878568.db2.gz ZCIORTGEWFXECP-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1nc(NCCc2cc(F)cc(F)c2)cc[nH+]1 ZINC000054936600 358879512 /nfs/dbraw/zinc/87/95/12/358879512.db2.gz SRFFGLAXMIJBHC-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO CC[C@@H](NC(=O)c1ccccc1C)c1[nH]cc[nH+]1 ZINC000140702456 358925195 /nfs/dbraw/zinc/92/51/95/358925195.db2.gz ZILSSNMUEBAEJY-GFCCVEGCSA-N 1 2 243.310 2.599 20 0 BFADLO C[C@@H](NC(=O)C[C@@H]1CCC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000578347339 366530585 /nfs/dbraw/zinc/53/05/85/366530585.db2.gz ZWEIGJOBDVRYIK-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061328540 358933085 /nfs/dbraw/zinc/93/30/85/358933085.db2.gz OTKLVMKSWSJTLO-GFCCVEGCSA-N 1 2 247.367 2.947 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1OC2CCC1CC2 ZINC000640227950 358938858 /nfs/dbraw/zinc/93/88/58/358938858.db2.gz AGSBQBOVMOHSIQ-UHFFFAOYSA-N 1 2 227.348 2.750 20 0 BFADLO CC(C)(C)OCCC[N@H+]1OC2CCC1CC2 ZINC000640227950 358938860 /nfs/dbraw/zinc/93/88/60/358938860.db2.gz AGSBQBOVMOHSIQ-UHFFFAOYSA-N 1 2 227.348 2.750 20 0 BFADLO Fc1c[nH+]ccc1NCCc1cccs1 ZINC000308870868 491139255 /nfs/dbraw/zinc/13/92/55/491139255.db2.gz JNBYYLUYEYNQLJ-UHFFFAOYSA-N 1 2 222.288 2.937 20 0 BFADLO Cc1nc(N2CCC[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000247400963 359219365 /nfs/dbraw/zinc/21/93/65/359219365.db2.gz XFWLOKKWBPPOLK-QWHCGFSZSA-N 1 2 231.343 2.944 20 0 BFADLO C[C@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)[C@H]1C ZINC000248340113 359266095 /nfs/dbraw/zinc/26/60/95/359266095.db2.gz ILVGKBMZUKXGSL-UWVGGRQHSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)[C@H]1C ZINC000248340113 359266102 /nfs/dbraw/zinc/26/61/02/359266102.db2.gz ILVGKBMZUKXGSL-UWVGGRQHSA-N 1 2 237.347 2.597 20 0 BFADLO Cc1cc(N2CC[C@H]2C(C)C)nc(C2CC2)[nH+]1 ZINC000450808142 202272767 /nfs/dbraw/zinc/27/27/67/202272767.db2.gz HXGVUGPRPHSMDK-LBPRGKRZSA-N 1 2 231.343 2.897 20 0 BFADLO CCOc1ccc(C[NH2+]CC(C)(F)F)cc1F ZINC000549862948 325517580 /nfs/dbraw/zinc/51/75/80/325517580.db2.gz IOCBFDMSBOXIPF-UHFFFAOYSA-N 1 2 247.260 2.969 20 0 BFADLO Clc1ccc(CCOCc2[nH]cc[nH+]2)cc1 ZINC000450896614 202303459 /nfs/dbraw/zinc/30/34/59/202303459.db2.gz NPLCLWKNZDSWDW-UHFFFAOYSA-N 1 2 236.702 2.822 20 0 BFADLO Cc1ccc(F)c(COCc2[nH]cc[nH+]2)c1 ZINC000450897157 202304260 /nfs/dbraw/zinc/30/42/60/202304260.db2.gz PGODXZAIRZOWGK-UHFFFAOYSA-N 1 2 220.247 2.574 20 0 BFADLO COC(=O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000180799708 366549558 /nfs/dbraw/zinc/54/95/58/366549558.db2.gz FRRPYTPYKKKVRX-CQSZACIVSA-N 1 2 249.354 2.845 20 0 BFADLO FC1(F)COCC[N@H+](CCC2=CCCCC2)C1 ZINC000451036311 202334527 /nfs/dbraw/zinc/33/45/27/202334527.db2.gz FGKRCTKBGLMDRT-UHFFFAOYSA-N 1 2 245.313 2.844 20 0 BFADLO FC1(F)COCC[N@@H+](CCC2=CCCCC2)C1 ZINC000451036311 202334531 /nfs/dbraw/zinc/33/45/31/202334531.db2.gz FGKRCTKBGLMDRT-UHFFFAOYSA-N 1 2 245.313 2.844 20 0 BFADLO C[C@@H](O)CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000451059337 202341882 /nfs/dbraw/zinc/34/18/82/202341882.db2.gz COABNPJDJVASDN-ZYHUDNBSSA-N 1 2 243.297 2.743 20 0 BFADLO CSc1ccccc1C[N@H+](C1CC1)C1COC1 ZINC000451126360 202359077 /nfs/dbraw/zinc/35/90/77/202359077.db2.gz QQKNSWCAAJMWQY-UHFFFAOYSA-N 1 2 249.379 2.772 20 0 BFADLO CSc1ccccc1C[N@@H+](C1CC1)C1COC1 ZINC000451126360 202359080 /nfs/dbraw/zinc/35/90/80/202359080.db2.gz QQKNSWCAAJMWQY-UHFFFAOYSA-N 1 2 249.379 2.772 20 0 BFADLO Cc1cc(NCC2(O)CCCC2)nc(C(C)C)[nH+]1 ZINC000087029960 359895206 /nfs/dbraw/zinc/89/52/06/359895206.db2.gz FMHLQGKVSYBIPR-UHFFFAOYSA-N 1 2 249.358 2.625 20 0 BFADLO CC[N@H+](Cc1ccc(C)cc1Cl)C1COC1 ZINC000451288557 202396297 /nfs/dbraw/zinc/39/62/97/202396297.db2.gz SUIZEUZMSGTGLE-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CC[N@@H+](Cc1ccc(C)cc1Cl)C1COC1 ZINC000451288557 202396301 /nfs/dbraw/zinc/39/63/01/202396301.db2.gz SUIZEUZMSGTGLE-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccon2)o1 ZINC000578593797 366603320 /nfs/dbraw/zinc/60/33/20/366603320.db2.gz SRTGFSWORFRBBL-VIFPVBQESA-N 1 2 249.314 2.774 20 0 BFADLO Cc1cc([NH2+]C[C@@H](O)C(C)(C)C)ccc1O ZINC000578741887 366634358 /nfs/dbraw/zinc/63/43/58/366634358.db2.gz LAQXJOYXGBRUPQ-GFCCVEGCSA-N 1 2 223.316 2.520 20 0 BFADLO CCc1cccc(CNc2cccc(CO)[nH+]2)c1 ZINC000578775601 366646696 /nfs/dbraw/zinc/64/66/96/366646696.db2.gz DDNZYYRQCFVZTM-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO O=C(CCCC1CCCCC1)NCc1c[nH+]c[nH]1 ZINC000088753805 359975618 /nfs/dbraw/zinc/97/56/18/359975618.db2.gz HINFYDYQTACRCI-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO O=C(CCCC1CCCCC1)NCc1c[nH]c[nH+]1 ZINC000088753805 359975619 /nfs/dbraw/zinc/97/56/19/359975619.db2.gz HINFYDYQTACRCI-UHFFFAOYSA-N 1 2 249.358 2.777 20 0 BFADLO CCN(CC)c1ccc(NCc2cc[nH]c2)c[nH+]1 ZINC000090994462 360098203 /nfs/dbraw/zinc/09/82/03/360098203.db2.gz MMPVGAWNWBMUOP-UHFFFAOYSA-N 1 2 244.342 2.868 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1cccc(CO)c1 ZINC000090208088 360065132 /nfs/dbraw/zinc/06/51/32/360065132.db2.gz LVBUPSQXCNIOLX-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC000091981988 360139476 /nfs/dbraw/zinc/13/94/76/360139476.db2.gz ADSJBBXKDWNOGF-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(C)c(F)c1 ZINC000091981988 360139481 /nfs/dbraw/zinc/13/94/81/360139481.db2.gz ADSJBBXKDWNOGF-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cc2cc(F)ccc2o1 ZINC000091800633 360131677 /nfs/dbraw/zinc/13/16/77/360131677.db2.gz IQTXHHRPDMZBHS-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cc2cc(F)ccc2o1 ZINC000091800633 360131680 /nfs/dbraw/zinc/13/16/80/360131680.db2.gz IQTXHHRPDMZBHS-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO CCOCC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000093312599 360228120 /nfs/dbraw/zinc/22/81/20/360228120.db2.gz SZWYVSAXBBGCMM-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO CCOCC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000093312599 360228121 /nfs/dbraw/zinc/22/81/21/360228121.db2.gz SZWYVSAXBBGCMM-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc[nH]n2)[C@H](c2ccco2)C1 ZINC000093811991 360279827 /nfs/dbraw/zinc/27/98/27/360279827.db2.gz SVIRIGYKORXGLH-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc[nH]n2)[C@H](c2ccco2)C1 ZINC000093811991 360279830 /nfs/dbraw/zinc/27/98/30/360279830.db2.gz SVIRIGYKORXGLH-YPMHNXCESA-N 1 2 245.326 2.976 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079054 360360666 /nfs/dbraw/zinc/36/06/66/360360666.db2.gz LDMJRIIHKSPQPT-ZYHUDNBSSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000097079054 360360672 /nfs/dbraw/zinc/36/06/72/360360672.db2.gz LDMJRIIHKSPQPT-ZYHUDNBSSA-N 1 2 249.358 2.958 20 0 BFADLO COc1cncc(CNc2c[nH+]cc(C)c2)c1C ZINC000631099543 360404466 /nfs/dbraw/zinc/40/44/66/360404466.db2.gz XJJXRBMEIWMCLQ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO c1ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)[nH+]c1 ZINC000631523700 360561035 /nfs/dbraw/zinc/56/10/35/360561035.db2.gz OBXZHNQOCHAWDN-JSGCOSHPSA-N 1 2 232.327 2.841 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccccn1 ZINC000309528371 491150045 /nfs/dbraw/zinc/15/00/45/491150045.db2.gz CXMRWZRGMVHCBH-GXSJLCMTSA-N 1 2 226.270 2.920 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cccnc1 ZINC000309580851 491152086 /nfs/dbraw/zinc/15/20/86/491152086.db2.gz QIASQVQNASYXOO-KOLCDFICSA-N 1 2 226.270 2.920 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cccnc1 ZINC000309580853 491152107 /nfs/dbraw/zinc/15/21/07/491152107.db2.gz QIASQVQNASYXOO-ONGXEEELSA-N 1 2 226.270 2.920 20 0 BFADLO C[C@H]1C[C@H]1Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000629121492 360885296 /nfs/dbraw/zinc/88/52/96/360885296.db2.gz ZGIUEHHNMYLGEW-YUMQZZPRSA-N 1 2 222.238 2.971 20 0 BFADLO CCc1cc(NCC2CC(C)(C)C2)nc[nH+]1 ZINC000309638962 491153330 /nfs/dbraw/zinc/15/33/30/491153330.db2.gz KIUYLNFVAGHTQZ-UHFFFAOYSA-N 1 2 219.332 2.887 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)nc1 ZINC000309724301 491155065 /nfs/dbraw/zinc/15/50/65/491155065.db2.gz XHIOMAIVWTUWSW-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCc1nocc1C[NH2+][C@@H](C)c1cscn1 ZINC000575003459 361294290 /nfs/dbraw/zinc/29/42/90/361294290.db2.gz NUXDATDNTLDNQU-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO C[C@@H]1CC[C@@H]1[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000579069101 366703002 /nfs/dbraw/zinc/70/30/02/366703002.db2.gz CTTKXYPZUHUVMR-KGYLQXTDSA-N 1 2 248.374 2.814 20 0 BFADLO CCc1cccc(C[NH2+][C@](C)(CC)C(=O)OC)c1 ZINC000428303679 201008224 /nfs/dbraw/zinc/00/82/24/201008224.db2.gz QOPAIAKVOSNVCW-OAHLLOKOSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@@H](F)C1 ZINC000579127699 366718932 /nfs/dbraw/zinc/71/89/32/366718932.db2.gz JCJVJZRQSUFTCZ-MNOVXSKESA-N 1 2 223.295 2.786 20 0 BFADLO C[C@H]1CC[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000428660726 201033237 /nfs/dbraw/zinc/03/32/37/201033237.db2.gz OBQUFGTULQUHGZ-CMPLNLGQSA-N 1 2 231.343 2.979 20 0 BFADLO CC1(C)CC[C@@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614274445 363767568 /nfs/dbraw/zinc/76/75/68/363767568.db2.gz AFKPVZMZWSYICB-LLVKDONJSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H](CC(=O)NCC1CCCCC1)n1cc[nH+]c1 ZINC000614216756 363761956 /nfs/dbraw/zinc/76/19/56/363761956.db2.gz WTKFTFZKXGQVNW-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@@H](C)C(F)F ZINC000309860213 491157510 /nfs/dbraw/zinc/15/75/10/491157510.db2.gz MCUBLOUAIXHMHM-VIFPVBQESA-N 1 2 229.270 2.747 20 0 BFADLO COc1ccc(N[C@@H](C)c2cscn2)[nH+]c1 ZINC000309876434 491157761 /nfs/dbraw/zinc/15/77/61/491157761.db2.gz SUVFRAVTKQYXAI-QMMMGPOBSA-N 1 2 235.312 2.720 20 0 BFADLO CO[C@H](C)CSCc1cn2ccccc2[nH+]1 ZINC000181111444 366784977 /nfs/dbraw/zinc/78/49/77/366784977.db2.gz NKHBGNKCEMBFFW-SNVBAGLBSA-N 1 2 236.340 2.602 20 0 BFADLO CO[C@@H](C)CSCc1cn2ccccc2[nH+]1 ZINC000181111422 366785325 /nfs/dbraw/zinc/78/53/25/366785325.db2.gz NKHBGNKCEMBFFW-JTQLQIEISA-N 1 2 236.340 2.602 20 0 BFADLO Cn1c[nH+]cc1CNc1nc2ccccc2s1 ZINC000181469494 366812894 /nfs/dbraw/zinc/81/28/94/366812894.db2.gz FIBJOHIYTWZLAX-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO CCCC[N@H+](CC)[C@H](C)c1noc(C)n1 ZINC000429719703 201129495 /nfs/dbraw/zinc/12/94/95/201129495.db2.gz PIGLJDPWQNAYCM-SECBINFHSA-N 1 2 211.309 2.561 20 0 BFADLO CCCC[N@@H+](CC)[C@H](C)c1noc(C)n1 ZINC000429719703 201129499 /nfs/dbraw/zinc/12/94/99/201129499.db2.gz PIGLJDPWQNAYCM-SECBINFHSA-N 1 2 211.309 2.561 20 0 BFADLO CNc1ccc([NH2+]CC(C)(C)COC)cc1 ZINC000629657200 361561448 /nfs/dbraw/zinc/56/14/48/361561448.db2.gz USJCKPNUBFAKDQ-UHFFFAOYSA-N 1 2 222.332 2.813 20 0 BFADLO C[NH2+]c1ccc(NCC(C)(C)COC)cc1 ZINC000629657200 361561451 /nfs/dbraw/zinc/56/14/51/361561451.db2.gz USJCKPNUBFAKDQ-UHFFFAOYSA-N 1 2 222.332 2.813 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)CC[C@H]2C)[nH+]1 ZINC000433765657 201192054 /nfs/dbraw/zinc/19/20/54/201192054.db2.gz LNFZSGKBIZYOFX-VHSXEESVSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)C2CCCC2)[nH+]1 ZINC000433772588 201193219 /nfs/dbraw/zinc/19/32/19/201193219.db2.gz ZJJKSXSDYWHJLB-UHFFFAOYSA-N 1 2 230.315 2.645 20 0 BFADLO C/C=C\C[C@@H]([NH2+]C1CC(C)(C)C1)C(=O)OCC ZINC000434987843 201246650 /nfs/dbraw/zinc/24/66/50/201246650.db2.gz PGMSNHUDSIIMFB-SMYYYNMVSA-N 1 2 239.359 2.663 20 0 BFADLO COCCc1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000629700388 361630633 /nfs/dbraw/zinc/63/06/33/361630633.db2.gz JNWLPCHQFXNMRV-UHFFFAOYSA-N 1 2 216.284 2.574 20 0 BFADLO Cc1[nH]cc(-c2ccc(O[C@@H]3CCOC3)cc2)[nH+]1 ZINC000629698462 361634186 /nfs/dbraw/zinc/63/41/86/361634186.db2.gz WQOVQLSFGJYWMQ-CYBMUJFWSA-N 1 2 244.294 2.553 20 0 BFADLO c1coc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000629691830 361619652 /nfs/dbraw/zinc/61/96/52/361619652.db2.gz AYKDRHRTJXDPMY-UHFFFAOYSA-N 1 2 243.306 2.779 20 0 BFADLO CCNc1ccc(-c2ccc(OC)cc2C)c[nH+]1 ZINC000629731516 361671246 /nfs/dbraw/zinc/67/12/46/361671246.db2.gz BAEKPYAEYUKWOX-UHFFFAOYSA-N 1 2 242.322 2.919 20 0 BFADLO CSc1cc(C)c(-c2c[nH]c(C)[nH+]2)cn1 ZINC000629736398 361675527 /nfs/dbraw/zinc/67/55/27/361675527.db2.gz FZQAPHBWNWWELB-UHFFFAOYSA-N 1 2 219.313 2.810 20 0 BFADLO CCNc1ccc(-c2ccc(C)s2)c[nH+]1 ZINC000629758592 361687055 /nfs/dbraw/zinc/68/70/55/361687055.db2.gz USQNWHMFMGCNNZ-UHFFFAOYSA-N 1 2 218.325 2.972 20 0 BFADLO Cc1ccc(F)c(CN(C)c2cc[nH+]c(C)n2)c1 ZINC000436425989 201326524 /nfs/dbraw/zinc/32/65/24/201326524.db2.gz UWZKHOSEJDUNOY-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1cc(N2CCC[C@H](C(C)C)C2)nc[nH+]1 ZINC000436462904 201327201 /nfs/dbraw/zinc/32/72/01/201327201.db2.gz GXYVOWMVZWENOK-LBPRGKRZSA-N 1 2 219.332 2.657 20 0 BFADLO CC[C@@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC000618954553 363939751 /nfs/dbraw/zinc/93/97/51/363939751.db2.gz VZVXJSJOCAJPDJ-SMDDNHRTSA-N 1 2 249.358 2.529 20 0 BFADLO CCc1cc(N[C@@H]2CC=CCC2)nc[nH+]1 ZINC000080120122 370728095 /nfs/dbraw/zinc/72/80/95/370728095.db2.gz WXTMARIPNUVMNE-LLVKDONJSA-N 1 2 203.289 2.560 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)o1 ZINC000631730470 364489823 /nfs/dbraw/zinc/48/98/23/364489823.db2.gz VFIGBJXNWRFUTD-NSHDSACASA-N 1 2 245.326 2.582 20 0 BFADLO CC[C@@H](O)CCCNc1ccc2ccccc2[nH+]1 ZINC000357489733 366858940 /nfs/dbraw/zinc/85/89/40/366858940.db2.gz RLQHJAWPFAXJFW-CYBMUJFWSA-N 1 2 244.338 2.620 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)C[C@H](C)C1 ZINC000573338282 364803749 /nfs/dbraw/zinc/80/37/49/364803749.db2.gz IYFDYBYYNZBAKW-MNOVXSKESA-N 1 2 233.359 2.966 20 0 BFADLO CCCCc1noc([C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)n1 ZINC000573774206 364913422 /nfs/dbraw/zinc/91/34/22/364913422.db2.gz QYKBNYZGCBAOCH-DCAQKATOSA-N 1 2 237.347 2.956 20 0 BFADLO CC1(O)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000168750097 364995352 /nfs/dbraw/zinc/99/53/52/364995352.db2.gz CRFKXWQEOSTWGD-UHFFFAOYSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1nc(NCCC[C@@H]2CCCC[C@@H]2O)cc[nH+]1 ZINC000154474094 541448201 /nfs/dbraw/zinc/44/82/01/541448201.db2.gz XMDQRZIQTKNEIM-STQMWFEESA-N 1 2 249.358 2.528 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000574406425 365055525 /nfs/dbraw/zinc/05/55/25/365055525.db2.gz OUZCDWXLVRDONT-GFCCVEGCSA-N 1 2 222.307 2.578 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000574406425 365055531 /nfs/dbraw/zinc/05/55/31/365055531.db2.gz OUZCDWXLVRDONT-GFCCVEGCSA-N 1 2 222.307 2.578 20 0 BFADLO Cc1cc(CNc2cccc(CO)[nH+]2)c(C)s1 ZINC000574627991 365103981 /nfs/dbraw/zinc/10/39/81/365103981.db2.gz OSDYZZBIXFKRAJ-UHFFFAOYSA-N 1 2 248.351 2.864 20 0 BFADLO COc1ccccc1C=CCNc1c[nH]c[nH+]1 ZINC000574657480 365117111 /nfs/dbraw/zinc/11/71/11/365117111.db2.gz POURQEWARKNNOA-GQCTYLIASA-N 1 2 229.283 2.544 20 0 BFADLO COc1ccccc1C=CCNc1c[nH]c[nH+]1 ZINC000574657481 365117231 /nfs/dbraw/zinc/11/72/31/365117231.db2.gz POURQEWARKNNOA-XQRVVYSFSA-N 1 2 229.283 2.544 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575065212 365183731 /nfs/dbraw/zinc/18/37/31/365183731.db2.gz AJZXJQDTDAXASE-WDEREUQCSA-N 1 2 249.358 2.587 20 0 BFADLO CC1(C)C[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000444086511 193034711 /nfs/dbraw/zinc/03/47/11/193034711.db2.gz PBAXYMDTUDQIQO-SNVBAGLBSA-N 1 2 227.311 2.510 20 0 BFADLO c1cc2[nH+]ccc(NCC3CCCC3)c2cn1 ZINC000444108500 193034780 /nfs/dbraw/zinc/03/47/80/193034780.db2.gz XMNWFNBXIMYLSI-UHFFFAOYSA-N 1 2 227.311 2.654 20 0 BFADLO CC(C)[C@H](C)[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000443415022 193019038 /nfs/dbraw/zinc/01/90/38/193019038.db2.gz PVSBDSXJOWYZNH-VIFPVBQESA-N 1 2 235.306 2.591 20 0 BFADLO Cn1c2c(cccc2F)[nH]c1=[NH+]CC(C)(C)C ZINC000443522484 193023487 /nfs/dbraw/zinc/02/34/87/193023487.db2.gz YYGVGEPACIYUJV-UHFFFAOYSA-N 1 2 235.306 2.592 20 0 BFADLO Cc1cnc(C[N@H+]2Cc3ccccc3C[C@@H]2C)o1 ZINC000173801321 365446695 /nfs/dbraw/zinc/44/66/95/365446695.db2.gz IMJAFINOOUCSOL-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO Cc1cnc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)o1 ZINC000173801321 365446699 /nfs/dbraw/zinc/44/66/99/365446699.db2.gz IMJAFINOOUCSOL-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO C[C@@H]1CN(CCCn2cc[nH+]c2)c2ccccc21 ZINC000183160954 366981549 /nfs/dbraw/zinc/98/15/49/366981549.db2.gz DVBZGULYNQDFLT-CYBMUJFWSA-N 1 2 241.338 2.897 20 0 BFADLO C[C@@H](Nc1cnn(C(C)(C)C)c1)c1[nH+]ccn1C ZINC000183393101 367019992 /nfs/dbraw/zinc/01/99/92/367019992.db2.gz UAWKPSNMIHNKDC-SNVBAGLBSA-N 1 2 247.346 2.545 20 0 BFADLO CC(C)=CC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000185180013 367123505 /nfs/dbraw/zinc/12/35/05/367123505.db2.gz UYQPFVYINCWXMA-SNVBAGLBSA-N 1 2 237.347 2.984 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](CC2CC2)C1 ZINC000581143160 367277580 /nfs/dbraw/zinc/27/75/80/367277580.db2.gz TZCMYXZKBBNVMI-ZDUSSCGKSA-N 1 2 231.343 2.720 20 0 BFADLO COC(=O)C[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000194545573 367303272 /nfs/dbraw/zinc/30/32/72/367303272.db2.gz LQNNVVSUOVAZAS-LBPRGKRZSA-N 1 2 249.354 2.976 20 0 BFADLO COC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000194545573 367303279 /nfs/dbraw/zinc/30/32/79/367303279.db2.gz LQNNVVSUOVAZAS-LBPRGKRZSA-N 1 2 249.354 2.976 20 0 BFADLO Cc1cc([NH2+]CC2(O)CCCC2)cc(C)c1O ZINC000581247431 367308190 /nfs/dbraw/zinc/30/81/90/367308190.db2.gz ZLPBZSZULIWFKU-UHFFFAOYSA-N 1 2 235.327 2.726 20 0 BFADLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1noc(C)n1 ZINC000194972402 367326398 /nfs/dbraw/zinc/32/63/98/367326398.db2.gz DGTMBVPPBXIHAU-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1noc(C)n1 ZINC000194972402 367326403 /nfs/dbraw/zinc/32/64/03/367326403.db2.gz DGTMBVPPBXIHAU-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccoc2)s1 ZINC000381330948 367382471 /nfs/dbraw/zinc/38/24/71/367382471.db2.gz TWYSTITYXHWRSP-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CCN(Cc1[nH+]ccn1CC)c1ccccc1 ZINC000195514821 367366740 /nfs/dbraw/zinc/36/67/40/367366740.db2.gz CHEYCXKZGZYWMU-UHFFFAOYSA-N 1 2 229.327 2.930 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000581737204 367799775 /nfs/dbraw/zinc/79/97/75/367799775.db2.gz ZXJNYXRUFPQCPQ-DCAQKATOSA-N 1 2 219.332 2.574 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000045809856 368431909 /nfs/dbraw/zinc/43/19/09/368431909.db2.gz RDEHRINXQXCPJG-SNVBAGLBSA-N 1 2 237.347 2.599 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000045809856 368431916 /nfs/dbraw/zinc/43/19/16/368431916.db2.gz RDEHRINXQXCPJG-SNVBAGLBSA-N 1 2 237.347 2.599 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1 ZINC000061760782 368568668 /nfs/dbraw/zinc/56/86/68/368568668.db2.gz IOZYBKLRGCVRAL-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1 ZINC000061760782 368568677 /nfs/dbraw/zinc/56/86/77/368568677.db2.gz IOZYBKLRGCVRAL-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1nc(C[N@H+](C)CCC(F)(F)F)oc1C ZINC000064634857 368610506 /nfs/dbraw/zinc/61/05/06/368610506.db2.gz BTLMVCSDJLMCIQ-UHFFFAOYSA-N 1 2 236.237 2.676 20 0 BFADLO Cc1nc(C[N@@H+](C)CCC(F)(F)F)oc1C ZINC000064634857 368610512 /nfs/dbraw/zinc/61/05/12/368610512.db2.gz BTLMVCSDJLMCIQ-UHFFFAOYSA-N 1 2 236.237 2.676 20 0 BFADLO C[N@H+](Cc1ccno1)Cc1ccccc1Cl ZINC000066562956 368653762 /nfs/dbraw/zinc/65/37/62/368653762.db2.gz PUCGXCLVFWFMEM-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccno1)Cc1ccccc1Cl ZINC000066562956 368653763 /nfs/dbraw/zinc/65/37/63/368653763.db2.gz PUCGXCLVFWFMEM-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1cccc2nc(CNc3cccc[nH+]3)cn21 ZINC000068772308 368735399 /nfs/dbraw/zinc/73/53/99/368735399.db2.gz VNPUFVCZCNJJFG-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)n1 ZINC000074072269 368828669 /nfs/dbraw/zinc/82/86/69/368828669.db2.gz OPNJKHLLASTJBT-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC[C@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000074389199 368841398 /nfs/dbraw/zinc/84/13/98/368841398.db2.gz ITZAIGXKUTYENT-LLVKDONJSA-N 1 2 234.274 2.557 20 0 BFADLO FC(F)(F)[C@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000309561225 326160708 /nfs/dbraw/zinc/16/07/08/326160708.db2.gz JIQLLBQYAAOHKT-JGVFFNPUSA-N 1 2 233.237 2.943 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(OC)c1C ZINC000623645571 368966078 /nfs/dbraw/zinc/96/60/78/368966078.db2.gz DYSJGFXGSXVPSZ-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CCCCC(C)C ZINC000457609900 203081035 /nfs/dbraw/zinc/08/10/35/203081035.db2.gz KIBIBGKMJVFRRO-UHFFFAOYSA-N 1 2 237.347 2.551 20 0 BFADLO Cc1cc(Cl)cc(C)c1C[NH+]1CCOCC1 ZINC000156380478 326230438 /nfs/dbraw/zinc/23/04/38/326230438.db2.gz MDDQAUKOVJAWKT-UHFFFAOYSA-N 1 2 239.746 2.789 20 0 BFADLO Cc1sccc1C[NH+]1CC(OCC(F)F)C1 ZINC000459586738 203307735 /nfs/dbraw/zinc/30/77/35/203307735.db2.gz DJUNOYRSNBTGIU-UHFFFAOYSA-N 1 2 247.310 2.522 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc(O)c1 ZINC000623680241 369388285 /nfs/dbraw/zinc/38/82/85/369388285.db2.gz CEETUVATLWPGQW-UHFFFAOYSA-N 1 2 215.243 2.527 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000623680773 369391683 /nfs/dbraw/zinc/39/16/83/369391683.db2.gz YXTKPKUTATWEJH-UHFFFAOYSA-N 1 2 245.269 2.536 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccn(C)n1 ZINC000459737320 203347672 /nfs/dbraw/zinc/34/76/72/203347672.db2.gz CAWMSNKZVPYWGN-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO Fc1cccc2c1C[N@H+](CCOC1CCC1)C2 ZINC000459762914 203361737 /nfs/dbraw/zinc/36/17/37/203361737.db2.gz VZEGBSXCBAMUCD-UHFFFAOYSA-N 1 2 235.302 2.710 20 0 BFADLO Fc1cccc2c1C[N@@H+](CCOC1CCC1)C2 ZINC000459762914 203361741 /nfs/dbraw/zinc/36/17/41/203361741.db2.gz VZEGBSXCBAMUCD-UHFFFAOYSA-N 1 2 235.302 2.710 20 0 BFADLO CCC1(c2ccccc2)C[NH+](Cc2cc[nH]n2)C1 ZINC000459774266 203364685 /nfs/dbraw/zinc/36/46/85/203364685.db2.gz UYHXUWBMRLGXGG-UHFFFAOYSA-N 1 2 241.338 2.573 20 0 BFADLO CC(C)COCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459750151 203353455 /nfs/dbraw/zinc/35/34/55/203353455.db2.gz NFIOJOFCTCOVLL-UHFFFAOYSA-N 1 2 237.318 2.814 20 0 BFADLO CC(C)COCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459750151 203353459 /nfs/dbraw/zinc/35/34/59/203353459.db2.gz NFIOJOFCTCOVLL-UHFFFAOYSA-N 1 2 237.318 2.814 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1ccccc1C)C(=O)OC ZINC000109803150 369538860 /nfs/dbraw/zinc/53/88/60/369538860.db2.gz WLQNLLSXRZMUCJ-OAHLLOKOSA-N 1 2 249.354 2.816 20 0 BFADLO C[C@@H](NC(=O)C1(C)CCCCC1)c1[nH+]ccn1C ZINC000620605448 369954114 /nfs/dbraw/zinc/95/41/14/369954114.db2.gz DFWRUAAUDYJIKA-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO CCCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620649059 369972854 /nfs/dbraw/zinc/97/28/54/369972854.db2.gz RHAQPJXWZCPRKP-UHFFFAOYSA-N 1 2 231.299 2.771 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)C3CCC3)ccc2n1C ZINC000074985690 370066117 /nfs/dbraw/zinc/06/61/17/370066117.db2.gz BYBLZBYICVBJKI-UHFFFAOYSA-N 1 2 243.310 2.620 20 0 BFADLO CSc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000111193158 370105213 /nfs/dbraw/zinc/10/52/13/370105213.db2.gz XWCVDBVSDLFLHK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000111193158 370105217 /nfs/dbraw/zinc/10/52/17/370105217.db2.gz XWCVDBVSDLFLHK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1 ZINC000111193158 370105222 /nfs/dbraw/zinc/10/52/22/370105222.db2.gz XWCVDBVSDLFLHK-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CCc1nnc([C@H](C)[N@H+](CC)Cc2ccoc2)o1 ZINC000111686663 370171737 /nfs/dbraw/zinc/17/17/37/370171737.db2.gz UAYMADNVIYELMY-JTQLQIEISA-N 1 2 249.314 2.808 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+](CC)Cc2ccoc2)o1 ZINC000111686663 370171742 /nfs/dbraw/zinc/17/17/42/370171742.db2.gz UAYMADNVIYELMY-JTQLQIEISA-N 1 2 249.314 2.808 20 0 BFADLO COc1ccccc1C[C@H](C)[N@H+](C)CC(F)F ZINC000075896790 370180594 /nfs/dbraw/zinc/18/05/94/370180594.db2.gz HEZGUSBRVCVESW-JTQLQIEISA-N 1 2 243.297 2.823 20 0 BFADLO COc1ccccc1C[C@H](C)[N@@H+](C)CC(F)F ZINC000075896790 370180598 /nfs/dbraw/zinc/18/05/98/370180598.db2.gz HEZGUSBRVCVESW-JTQLQIEISA-N 1 2 243.297 2.823 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H]1C1CC1 ZINC000309844537 370268126 /nfs/dbraw/zinc/26/81/26/370268126.db2.gz FYANTUSKSDGOLY-MNOVXSKESA-N 1 2 218.300 2.691 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@H]1C1CC1 ZINC000309844538 370268599 /nfs/dbraw/zinc/26/85/99/370268599.db2.gz FYANTUSKSDGOLY-QWRGUYRKSA-N 1 2 218.300 2.691 20 0 BFADLO CCCc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC000621728989 370481667 /nfs/dbraw/zinc/48/16/67/370481667.db2.gz FHDGSZHSXKBQJU-QWHCGFSZSA-N 1 2 237.368 2.674 20 0 BFADLO CCCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)s1 ZINC000621728989 370481669 /nfs/dbraw/zinc/48/16/69/370481669.db2.gz FHDGSZHSXKBQJU-QWHCGFSZSA-N 1 2 237.368 2.674 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2ccco2)on1 ZINC000114509833 370570983 /nfs/dbraw/zinc/57/09/83/370570983.db2.gz UJSSBMDMDFLCBD-UHFFFAOYSA-N 1 2 220.272 2.681 20 0 BFADLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nccs1 ZINC000078679657 370588704 /nfs/dbraw/zinc/58/87/04/370588704.db2.gz DOZMMMDNRNUVKS-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO CCc1cc(NCCC(C)(C)C)nc[nH+]1 ZINC000123461207 371071208 /nfs/dbraw/zinc/07/12/08/371071208.db2.gz KZTHBUIUYXWAMI-UHFFFAOYSA-N 1 2 207.321 2.887 20 0 BFADLO COc1ccc[nH+]c1N(C)Cc1ccsc1 ZINC000623810328 371105082 /nfs/dbraw/zinc/10/50/82/371105082.db2.gz TVHAYIHFDVBJPW-UHFFFAOYSA-N 1 2 234.324 2.788 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000624148013 371341817 /nfs/dbraw/zinc/34/18/17/371341817.db2.gz SGSSEAZWOVFSJJ-QMMMGPOBSA-N 1 2 243.301 2.789 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccoc1 ZINC000624147588 371342091 /nfs/dbraw/zinc/34/20/91/371342091.db2.gz FPWUVXWWLWPXEN-QMMMGPOBSA-N 1 2 203.232 2.976 20 0 BFADLO CCCC(C)(C)CC(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371595 371590135 /nfs/dbraw/zinc/59/01/35/371590135.db2.gz LCNDDQOIDQYQEQ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CCCC(C)(C)CC(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371595 371590140 /nfs/dbraw/zinc/59/01/40/371590140.db2.gz LCNDDQOIDQYQEQ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)C1CC1 ZINC000133315080 372022414 /nfs/dbraw/zinc/02/24/14/372022414.db2.gz RTRLNWWXAPVHMZ-SECBINFHSA-N 1 2 206.289 2.548 20 0 BFADLO CCc1csc([C@H](C)Nc2cc(C)[nH+]cn2)n1 ZINC000631320009 372291897 /nfs/dbraw/zinc/29/18/97/372291897.db2.gz QNBNOUQIRNBUPM-VIFPVBQESA-N 1 2 248.355 2.977 20 0 BFADLO CCc1cc(N[C@]23C[C@H]2CCCC3)nc[nH+]1 ZINC000631474829 372384181 /nfs/dbraw/zinc/38/41/81/372384181.db2.gz GRKKBPYWTPDVNE-ZWNOBZJWSA-N 1 2 217.316 2.784 20 0 BFADLO Cc1nc(N[C@@]23C[C@@H]2CCCC3)cc[nH+]1 ZINC000631476016 372384805 /nfs/dbraw/zinc/38/48/05/372384805.db2.gz ONVPIVXILAHXJE-JQWIXIFHSA-N 1 2 203.289 2.530 20 0 BFADLO CC1(F)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000631517022 372403830 /nfs/dbraw/zinc/40/38/30/372403830.db2.gz SVOQMSOSNUXUKD-UHFFFAOYSA-N 1 2 245.301 2.958 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000631609195 372457740 /nfs/dbraw/zinc/45/77/40/372457740.db2.gz YMGXHVPSCOITPO-IHRRRGAJSA-N 1 2 244.338 2.760 20 0 BFADLO CC(C)(F)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000631659573 372485410 /nfs/dbraw/zinc/48/54/10/372485410.db2.gz RXZWBTXPMDJIMG-GFCCVEGCSA-N 1 2 247.317 2.837 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C)o1)c1nccn1C ZINC000631728505 372525416 /nfs/dbraw/zinc/52/54/16/372525416.db2.gz QWUJKSXCUZJLMN-LBPRGKRZSA-N 1 2 233.315 2.562 20 0 BFADLO C[N@H+](CC(F)F)[C@H]1CCc2ccccc21 ZINC000171668936 372726529 /nfs/dbraw/zinc/72/65/29/372726529.db2.gz JDMKHBNIHHJPDN-NSHDSACASA-N 1 2 211.255 2.871 20 0 BFADLO C[N@@H+](CC(F)F)[C@H]1CCc2ccccc21 ZINC000171668936 372726535 /nfs/dbraw/zinc/72/65/35/372726535.db2.gz JDMKHBNIHHJPDN-NSHDSACASA-N 1 2 211.255 2.871 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C(C)C)n2)on1 ZINC000171675901 372730556 /nfs/dbraw/zinc/73/05/56/372730556.db2.gz VCFIAZXURMJMIL-UHFFFAOYSA-N 1 2 232.287 2.509 20 0 BFADLO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(F)F)C1 ZINC000174349758 374184012 /nfs/dbraw/zinc/18/40/12/374184012.db2.gz RPXLKCXYHDMJGJ-RKDXNWHRSA-N 1 2 223.332 2.858 20 0 BFADLO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(F)F)C1 ZINC000174349758 374184019 /nfs/dbraw/zinc/18/40/19/374184019.db2.gz RPXLKCXYHDMJGJ-RKDXNWHRSA-N 1 2 223.332 2.858 20 0 BFADLO C[C@H](CC(=O)N[C@@H](C)CC1CCC1)n1cc[nH+]c1 ZINC000634372416 374222897 /nfs/dbraw/zinc/22/28/97/374222897.db2.gz PUOYRFXHOIGSIU-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)[C@@H](C)[C@H](C)O1 ZINC000445673137 206085503 /nfs/dbraw/zinc/08/55/03/206085503.db2.gz CZSOZGKVGZEIGC-VWYCJHECSA-N 1 2 245.326 2.565 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000194747506 206108491 /nfs/dbraw/zinc/10/84/91/206108491.db2.gz HTDWHLFPJJVMOC-TZMCWYRMSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC(C)(C)C ZINC000455039807 206114603 /nfs/dbraw/zinc/11/46/03/206114603.db2.gz VVYHWVUPOIAXMA-NSHDSACASA-N 1 2 249.358 2.758 20 0 BFADLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000029951549 182351463 /nfs/dbraw/zinc/35/14/63/182351463.db2.gz JTIRDZABWKNBSO-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO CCCc1cccc(C[NH2+]CC(F)F)c1 ZINC000459546655 206133265 /nfs/dbraw/zinc/13/32/65/206133265.db2.gz NLLNKNJHPLEJJK-UHFFFAOYSA-N 1 2 213.271 2.994 20 0 BFADLO Fc1ccc2cc(C[NH2+]CC(F)F)[nH]c2c1 ZINC000459544944 206133314 /nfs/dbraw/zinc/13/33/14/206133314.db2.gz KRBGOXDMPDPFLW-UHFFFAOYSA-N 1 2 228.217 2.662 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(OC(C)C)cc2)C1 ZINC000459579915 206136279 /nfs/dbraw/zinc/13/62/79/206136279.db2.gz JGPWBMZGWWHROH-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)[C@H]1CC=CCC1 ZINC000266137790 182374760 /nfs/dbraw/zinc/37/47/60/182374760.db2.gz FKQIKIXAVCGCNW-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO O=C(Nc1ccccc1-n1cc[nH+]c1)C1CCC1 ZINC000045859938 182377707 /nfs/dbraw/zinc/37/77/07/182377707.db2.gz ZRZUMZHKLXYORL-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO OCCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000286935520 183060185 /nfs/dbraw/zinc/06/01/85/183060185.db2.gz LTKBUSUDWGEWMT-UHFFFAOYSA-N 1 2 236.702 2.683 20 0 BFADLO O[C@@H](Cn1cc[nH+]c1)c1cccc2ccccc21 ZINC000027763450 183184305 /nfs/dbraw/zinc/18/43/05/183184305.db2.gz PGOHMHDRFAPIIL-HNNXBMFYSA-N 1 2 238.290 2.770 20 0 BFADLO CCCN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287627484 169056309 /nfs/dbraw/zinc/05/63/09/169056309.db2.gz URCUJXMRQOJVMI-UHFFFAOYSA-N 1 2 221.304 2.572 20 0 BFADLO O[C@@H]1CCCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000052007105 183189038 /nfs/dbraw/zinc/18/90/38/183189038.db2.gz SQWGGWGHOMVZFQ-UONOGXRCSA-N 1 2 242.322 2.950 20 0 BFADLO O[C@H](CNc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000074055716 183226142 /nfs/dbraw/zinc/22/61/42/183226142.db2.gz IAMAYFLANXQEBE-GFCCVEGCSA-N 1 2 248.713 2.881 20 0 BFADLO CCCN(CC)c1cc(NCC2CC2)[nH+]cn1 ZINC000357534086 169131400 /nfs/dbraw/zinc/13/14/00/169131400.db2.gz QGWIRDKWPMFMJK-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CCCN(CC)c1cc(NCC2CC2)nc[nH+]1 ZINC000357534086 169131406 /nfs/dbraw/zinc/13/14/06/169131406.db2.gz QGWIRDKWPMFMJK-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO Oc1ccc(F)c(C[NH2+]C2CC(F)(F)C2)c1F ZINC000294660907 183273212 /nfs/dbraw/zinc/27/32/12/183273212.db2.gz LMSUHFOEXOBFMV-UHFFFAOYSA-N 1 2 249.207 2.558 20 0 BFADLO CCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187027422 169205215 /nfs/dbraw/zinc/20/52/15/169205215.db2.gz KKOUMSWVNOGKRB-SECBINFHSA-N 1 2 228.386 2.643 20 0 BFADLO CCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187027422 169205216 /nfs/dbraw/zinc/20/52/16/169205216.db2.gz KKOUMSWVNOGKRB-SECBINFHSA-N 1 2 228.386 2.643 20 0 BFADLO c1c[nH]c(CNc2ccc(C3CCC3)c[nH+]2)n1 ZINC000292884381 183324908 /nfs/dbraw/zinc/32/49/08/183324908.db2.gz CHIDCJGLCYRMLS-UHFFFAOYSA-N 1 2 228.299 2.684 20 0 BFADLO c1c[nH+]c(COCC2CCCCCC2)[nH]1 ZINC000183897674 183327787 /nfs/dbraw/zinc/32/77/87/183327787.db2.gz VKQVDGSOVWUCRO-UHFFFAOYSA-N 1 2 208.305 2.897 20 0 BFADLO c1c[nH+]c(CNc2ccc3ccoc3c2)[nH]1 ZINC000309645255 183327848 /nfs/dbraw/zinc/32/78/48/183327848.db2.gz VUSBGOBXTRQIAC-UHFFFAOYSA-N 1 2 213.240 2.768 20 0 BFADLO c1cc([C@@H]2CCCC[N@@H+]2Cc2cncs2)n[nH]1 ZINC000289337306 183359688 /nfs/dbraw/zinc/35/96/88/183359688.db2.gz HJIOBPRBZMYDKK-LBPRGKRZSA-N 1 2 248.355 2.593 20 0 BFADLO c1cn(-c2cccc(NCC3CC3)c2)c[nH+]1 ZINC000036940131 183356596 /nfs/dbraw/zinc/35/65/96/183356596.db2.gz ORWDRPAVZQNGAA-UHFFFAOYSA-N 1 2 213.284 2.694 20 0 BFADLO c1cc(NCCC2CC2)nc(C2CC2)[nH+]1 ZINC000266200730 183357567 /nfs/dbraw/zinc/35/75/67/183357567.db2.gz DJMXKBHSNRAGIN-UHFFFAOYSA-N 1 2 203.289 2.566 20 0 BFADLO c1cc([C@@H]2CCCC[N@H+]2Cc2cncs2)n[nH]1 ZINC000289337306 183359684 /nfs/dbraw/zinc/35/96/84/183359684.db2.gz HJIOBPRBZMYDKK-LBPRGKRZSA-N 1 2 248.355 2.593 20 0 BFADLO c1cn(Cc2cc(-c3ccccc3)on2)c[nH+]1 ZINC000340544934 183379847 /nfs/dbraw/zinc/37/98/47/183379847.db2.gz RCBMVFYSDDWVDY-UHFFFAOYSA-N 1 2 225.251 2.586 20 0 BFADLO c1coc(-c2ccccc2-c2[nH]cc[nH+]2)n1 ZINC000034455555 183383825 /nfs/dbraw/zinc/38/38/25/183383825.db2.gz BGUJZXZKHZVHHA-UHFFFAOYSA-N 1 2 211.224 2.732 20 0 BFADLO c1nc(COc2cc[nH+]cc2)oc1C1CC1 ZINC000292491630 183359882 /nfs/dbraw/zinc/35/98/82/183359882.db2.gz ROOBIYOIMKZQAX-UHFFFAOYSA-N 1 2 216.240 2.526 20 0 BFADLO CCCOc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000267767008 169320584 /nfs/dbraw/zinc/32/05/84/169320584.db2.gz KIDODNWDHOBYNK-UHFFFAOYSA-N 1 2 246.310 2.788 20 0 BFADLO c1c[nH+]c(COCc2cnc3ccccc3c2)[nH]1 ZINC000338555573 183460077 /nfs/dbraw/zinc/46/00/77/183460077.db2.gz BANDNFRNMRDYJM-UHFFFAOYSA-N 1 2 239.278 2.675 20 0 BFADLO CCCOc1ccccc1NCc1c[nH+]cn1C ZINC000078780073 169327563 /nfs/dbraw/zinc/32/75/63/169327563.db2.gz BBWQKRUOYNPCKL-UHFFFAOYSA-N 1 2 245.326 2.821 20 0 BFADLO CCC[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000276665852 169352175 /nfs/dbraw/zinc/35/21/75/169352175.db2.gz UGNKMOTUECKEHO-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO CCC[C@@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357116093 169355058 /nfs/dbraw/zinc/35/50/58/169355058.db2.gz HLCCBBCEJLVNKQ-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO CCC[C@@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000050506685 169361121 /nfs/dbraw/zinc/36/11/21/169361121.db2.gz FPSGWCPWUXLJKC-OCCSQVGLSA-N 1 2 249.354 2.927 20 0 BFADLO CCC[C@@H]([NH2+]C/C=C/c1ccccc1)C(=O)OC ZINC000083377426 169399582 /nfs/dbraw/zinc/39/95/82/169399582.db2.gz SXGMJXJGWMTEHA-DPQIITEBSA-N 1 2 247.338 2.631 20 0 BFADLO CCOCCSCc1ccc(C)[nH+]c1C ZINC000184807522 134368815 /nfs/dbraw/zinc/36/88/15/134368815.db2.gz MPBGOBXJIMBVRE-UHFFFAOYSA-N 1 2 225.357 2.968 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@@H]1CCCOC1 ZINC000111320167 383854493 /nfs/dbraw/zinc/85/44/93/383854493.db2.gz ZWZINVWLWIAHAF-LBPRGKRZSA-N 1 2 235.327 2.842 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000336428481 383868022 /nfs/dbraw/zinc/86/80/22/383868022.db2.gz APHSUETVAGGHIL-GXSJLCMTSA-N 1 2 247.342 2.961 20 0 BFADLO CC(C)[N@@H+](Cc1cccc(N)c1)CC(F)F ZINC000037756124 383829031 /nfs/dbraw/zinc/82/90/31/383829031.db2.gz LTNRRQRVCUHZHE-UHFFFAOYSA-N 1 2 228.286 2.744 20 0 BFADLO CC(C)[N@H+](Cc1cccc(N)c1)CC(F)F ZINC000037756124 383829038 /nfs/dbraw/zinc/82/90/38/383829038.db2.gz LTNRRQRVCUHZHE-UHFFFAOYSA-N 1 2 228.286 2.744 20 0 BFADLO CCc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000036804557 383910513 /nfs/dbraw/zinc/91/05/13/383910513.db2.gz BCEYDXCRGBZDLT-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(Cl)cc1 ZINC000036900121 383916950 /nfs/dbraw/zinc/91/69/50/383916950.db2.gz PGXSWSGCYKIVTJ-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2csnn2)cc1 ZINC000036958554 383920876 /nfs/dbraw/zinc/92/08/76/383920876.db2.gz LNWMKTUNJVYBMO-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2csnn2)c1 ZINC000088162175 383883430 /nfs/dbraw/zinc/88/34/30/383883430.db2.gz QTLJQWJNXVNZLF-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H](CCCO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000088503652 383906145 /nfs/dbraw/zinc/90/61/45/383906145.db2.gz IBTCWLOIFRJWAR-QMMMGPOBSA-N 1 2 248.248 2.673 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(F)c1)C(F)F ZINC000449362547 383990713 /nfs/dbraw/zinc/99/07/13/383990713.db2.gz NFJWZEYBCUYWPR-JTQLQIEISA-N 1 2 217.234 2.959 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)o1 ZINC000293880564 383999069 /nfs/dbraw/zinc/99/90/69/383999069.db2.gz FRZULSZVUMDETL-GHMZBOCLSA-N 1 2 231.299 2.580 20 0 BFADLO Cc1nc(CNc2c[nH+]ccc2C)cs1 ZINC000070958312 383970644 /nfs/dbraw/zinc/97/06/44/383970644.db2.gz JHBSWIYRLJARAN-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO COC[C@H]([NH2+]Cc1nccs1)c1ccccc1 ZINC000113355436 383976455 /nfs/dbraw/zinc/97/64/55/383976455.db2.gz COQYLLAIDMSPQR-LBPRGKRZSA-N 1 2 248.351 2.620 20 0 BFADLO COc1cc(Cn2cc[nH+]c2)ccc1SC ZINC000068802791 384016484 /nfs/dbraw/zinc/01/64/84/384016484.db2.gz QIMUPTWEHWMWGI-UHFFFAOYSA-N 1 2 234.324 2.662 20 0 BFADLO Cc1cc(NC(=O)/C=C\C(C)(C)C)cc[nH+]1 ZINC000255062219 384024447 /nfs/dbraw/zinc/02/44/47/384024447.db2.gz GUVAWNMRXUVQED-ALCCZGGFSA-N 1 2 218.300 2.931 20 0 BFADLO CC(C)C(CNc1ccc(CO)c[nH+]1)C(C)C ZINC000229712594 259642847 /nfs/dbraw/zinc/64/28/47/259642847.db2.gz IWUWLVFCDDRKOQ-UHFFFAOYSA-N 1 2 236.359 2.914 20 0 BFADLO C[C@@H](CC1CCCCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000114339203 384031562 /nfs/dbraw/zinc/03/15/62/384031562.db2.gz MOJYHZHNCZJSTA-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO CCc1cccc(C)c1NCc1c[nH+]cn1C ZINC000090166720 384032177 /nfs/dbraw/zinc/03/21/77/384032177.db2.gz OBTFWJJFWNJJKC-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO CCSCc1cc[nH+]c(NCc2ncc[nH]2)c1 ZINC000090228639 384034177 /nfs/dbraw/zinc/03/41/77/384034177.db2.gz GRYWLOQJJWAYFG-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2cccnc21 ZINC000449374208 384054884 /nfs/dbraw/zinc/05/48/84/384054884.db2.gz YBIISHLUPWOBQI-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1nc(C)c(C[NH2+]Cc2cscn2)s1 ZINC000076868080 384060610 /nfs/dbraw/zinc/06/06/10/384060610.db2.gz GZRIDUSZUGFGQI-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000560338774 384078621 /nfs/dbraw/zinc/07/86/21/384078621.db2.gz JVHPDPCOAPBIND-JHJVBQTASA-N 1 2 249.358 2.529 20 0 BFADLO FCC(CF)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000449377850 384079993 /nfs/dbraw/zinc/07/99/93/384079993.db2.gz BRCYOADJQNDDCQ-UPHRSURJSA-N 1 2 247.235 2.875 20 0 BFADLO C/C(=C/c1ccccc1)C[NH2+]C(CF)CF ZINC000449382304 384109087 /nfs/dbraw/zinc/10/90/87/384109087.db2.gz WFNCNJLGIYTXHZ-XFFZJAGNSA-N 1 2 225.282 2.987 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449390089 384150563 /nfs/dbraw/zinc/15/05/63/384150563.db2.gz VGFTUYJBPHKFHN-SSDOTTSWSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449390089 384150568 /nfs/dbraw/zinc/15/05/68/384150568.db2.gz VGFTUYJBPHKFHN-SSDOTTSWSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000449391260 384153596 /nfs/dbraw/zinc/15/35/96/384153596.db2.gz XULXWPFQXPDSGJ-JTQLQIEISA-N 1 2 213.683 2.884 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000449391260 384153599 /nfs/dbraw/zinc/15/35/99/384153599.db2.gz XULXWPFQXPDSGJ-JTQLQIEISA-N 1 2 213.683 2.884 20 0 BFADLO CC[C@@H](NC(=O)C1CCCCC1)c1[nH]cc[nH+]1 ZINC000140595452 384155240 /nfs/dbraw/zinc/15/52/40/384155240.db2.gz PSNANAHDVUJDLO-LLVKDONJSA-N 1 2 235.331 2.557 20 0 BFADLO Cc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000070957775 384143615 /nfs/dbraw/zinc/14/36/15/384143615.db2.gz PFUPWZIVNHSXFF-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1cc(C)c(C[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000041013847 384172632 /nfs/dbraw/zinc/17/26/32/384172632.db2.gz JBNNOTUORRNBDS-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO Cc1ccc([C@@H]([NH2+]Cc2ccn[nH]2)C2CC2)cc1 ZINC000041015362 384173118 /nfs/dbraw/zinc/17/31/18/384173118.db2.gz QKHWMJRHKBHTGR-OAHLLOKOSA-N 1 2 241.338 2.959 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccc2c(c1)CCO2 ZINC000071413859 384165196 /nfs/dbraw/zinc/16/51/96/384165196.db2.gz HVBOERNSZYDSPX-UHFFFAOYSA-N 1 2 240.306 2.937 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000530963124 384192924 /nfs/dbraw/zinc/19/29/24/384192924.db2.gz OLMNMOBLOBUUEE-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000530963124 384192928 /nfs/dbraw/zinc/19/29/28/384192928.db2.gz OLMNMOBLOBUUEE-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(F)cc1F ZINC000093326681 384229897 /nfs/dbraw/zinc/22/98/97/384229897.db2.gz SOFUFOLDHYMIIQ-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1ccc(NC(=O)C2CC=CC2)c(C)[nH+]1 ZINC000119081931 384233485 /nfs/dbraw/zinc/23/34/85/384233485.db2.gz AZTODDNCMNCERM-UHFFFAOYSA-N 1 2 216.284 2.603 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCC[C@@H](C)C2)no1 ZINC000359532768 384238644 /nfs/dbraw/zinc/23/86/44/384238644.db2.gz UQNWZKKOOPAQJX-ZYHUDNBSSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCC[C@@H](C)C2)no1 ZINC000359532768 384238647 /nfs/dbraw/zinc/23/86/47/384238647.db2.gz UQNWZKKOOPAQJX-ZYHUDNBSSA-N 1 2 237.347 2.636 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000153183977 384208718 /nfs/dbraw/zinc/20/87/18/384208718.db2.gz ACTFTHAMOCMEHV-NWDGAFQWSA-N 1 2 247.342 2.724 20 0 BFADLO Clc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118854141 384215002 /nfs/dbraw/zinc/21/50/02/384215002.db2.gz NCJTVEOPOAYBAE-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000118854141 384215007 /nfs/dbraw/zinc/21/50/07/384215007.db2.gz NCJTVEOPOAYBAE-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000093149732 384216117 /nfs/dbraw/zinc/21/61/17/384216117.db2.gz QVKUHHFEEBZUSC-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2ccccc2[C@H]1C ZINC000093149732 384216123 /nfs/dbraw/zinc/21/61/23/384216123.db2.gz QVKUHHFEEBZUSC-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccsc3C2)oc1C ZINC000132781538 384252136 /nfs/dbraw/zinc/25/21/36/384252136.db2.gz OAXDSQSKWLMVES-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccsc3C2)oc1C ZINC000132781538 384252139 /nfs/dbraw/zinc/25/21/39/384252139.db2.gz OAXDSQSKWLMVES-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2CCCS2)c(C)[nH+]1 ZINC000119307249 384257158 /nfs/dbraw/zinc/25/71/58/384257158.db2.gz SIGLWMDQXMRQDB-NSHDSACASA-N 1 2 236.340 2.533 20 0 BFADLO CCC[C@H]1C[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119486476 384276075 /nfs/dbraw/zinc/27/60/75/384276075.db2.gz MTMRQDBUWSACPV-JQWIXIFHSA-N 1 2 233.315 2.700 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1ccc(F)cn1 ZINC000133962781 384322958 /nfs/dbraw/zinc/32/29/58/384322958.db2.gz XDRFDKXAKLZDSD-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CSC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000133277224 384282305 /nfs/dbraw/zinc/28/23/05/384282305.db2.gz WZOUZNJIXSDALK-NSHDSACASA-N 1 2 249.383 2.686 20 0 BFADLO Cc1c[nH+]cc(NCc2ccc3c(c2)CCO3)c1 ZINC000119587603 384288458 /nfs/dbraw/zinc/28/84/58/384288458.db2.gz MEWPDAHQJUFDIS-UHFFFAOYSA-N 1 2 240.306 2.937 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(C)(F)F ZINC000449413403 384298453 /nfs/dbraw/zinc/29/84/53/384298453.db2.gz ILYXWUBTIKXSGQ-QMMMGPOBSA-N 1 2 239.269 2.696 20 0 BFADLO Cc1ccc([N@H+](C)CC[C@@H]2CCOC2=O)c(C)c1 ZINC000120211399 384337634 /nfs/dbraw/zinc/33/76/34/384337634.db2.gz ULKQHGHNZDVYGU-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc([N@@H+](C)CC[C@@H]2CCOC2=O)c(C)c1 ZINC000120211399 384337638 /nfs/dbraw/zinc/33/76/38/384337638.db2.gz ULKQHGHNZDVYGU-CYBMUJFWSA-N 1 2 247.338 2.693 20 0 BFADLO COCC[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000045019921 384369258 /nfs/dbraw/zinc/36/92/58/384369258.db2.gz YLQFCZJLDXYOMZ-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000045019921 384369262 /nfs/dbraw/zinc/36/92/62/384369262.db2.gz YLQFCZJLDXYOMZ-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO CC[C@@H](C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120126936 384329448 /nfs/dbraw/zinc/32/94/48/384329448.db2.gz BZVXARUYWHQIIT-MNOVXSKESA-N 1 2 235.331 2.509 20 0 BFADLO CC(C)CCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120177834 384333678 /nfs/dbraw/zinc/33/36/78/384333678.db2.gz XGDIDJOBCHGDSI-GFCCVEGCSA-N 1 2 249.358 2.900 20 0 BFADLO CCCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000121350581 384413576 /nfs/dbraw/zinc/41/35/76/384413576.db2.gz UVYDJAAUCRUXJA-UHFFFAOYSA-N 1 2 221.304 2.654 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCC1(C2CC2)CC1 ZINC000120785271 384379854 /nfs/dbraw/zinc/37/98/54/384379854.db2.gz COUNUVBWPSPJMN-UHFFFAOYSA-N 1 2 245.326 2.702 20 0 BFADLO CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1COC1 ZINC000449428215 384379941 /nfs/dbraw/zinc/37/99/41/384379941.db2.gz UTWYCSPCKJDXBH-ZWNOBZJWSA-N 1 2 235.327 2.624 20 0 BFADLO CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1COC1 ZINC000449428215 384379946 /nfs/dbraw/zinc/37/99/46/384379946.db2.gz UTWYCSPCKJDXBH-ZWNOBZJWSA-N 1 2 235.327 2.624 20 0 BFADLO CCS[C@H]1CCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000175057327 384388062 /nfs/dbraw/zinc/38/80/62/384388062.db2.gz ISUYMPWAIKZOLP-MNOVXSKESA-N 1 2 237.372 2.871 20 0 BFADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cccc(F)c1F ZINC000121898320 384445382 /nfs/dbraw/zinc/44/53/82/384445382.db2.gz ZJWFOUSZXOEGOC-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@H](NCc1[nH]cc[nH+]1)c1cccc(F)c1F ZINC000121898320 384445387 /nfs/dbraw/zinc/44/53/87/384445387.db2.gz ZJWFOUSZXOEGOC-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000122107843 384455999 /nfs/dbraw/zinc/45/59/99/384455999.db2.gz WNTVZJFAMVMJNB-RYUDHWBXSA-N 1 2 245.326 2.654 20 0 BFADLO CSCCCCC(=O)Nc1cc[nH+]cc1C ZINC000121675773 384432073 /nfs/dbraw/zinc/43/20/73/384432073.db2.gz TZMUSQOPWTVHFN-UHFFFAOYSA-N 1 2 238.356 2.862 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCC1(C)CCC1 ZINC000121715765 384435763 /nfs/dbraw/zinc/43/57/63/384435763.db2.gz ZPSPVNSHIXTXCV-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000121723215 384436904 /nfs/dbraw/zinc/43/69/04/384436904.db2.gz NYBFRGMATXLAMS-SNVBAGLBSA-N 1 2 218.300 2.683 20 0 BFADLO CCc1cccc2c1N(Cc1c[nH+]cn1C)CC2 ZINC000533522939 384463189 /nfs/dbraw/zinc/46/31/89/384463189.db2.gz BXBULJOCYGRYPL-UHFFFAOYSA-N 1 2 241.338 2.545 20 0 BFADLO CCc1cccc(NCc2c[nH+]cn2C)c1 ZINC000078779934 384465445 /nfs/dbraw/zinc/46/54/45/384465445.db2.gz GJNPPFZZDBCSJV-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1cscn1 ZINC000161134622 384466393 /nfs/dbraw/zinc/46/63/93/384466393.db2.gz PEWNDYUPVWAHTE-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cscn1 ZINC000161134828 384467538 /nfs/dbraw/zinc/46/75/38/384467538.db2.gz PEWNDYUPVWAHTE-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]1C[C@@H](Sc2[nH+]cc3ccccn32)CCO1 ZINC000335009294 384482660 /nfs/dbraw/zinc/48/26/60/384482660.db2.gz VRLYCGIWJJMCKN-PWSUYJOCSA-N 1 2 248.351 2.994 20 0 BFADLO CC[C@H](COC)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000079709393 384511884 /nfs/dbraw/zinc/51/18/84/384511884.db2.gz ZSQGSKZDYORPLU-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO c1[nH]cc(N[C@H]2CCCC23CCCC3)[nH+]1 ZINC000556853734 384529491 /nfs/dbraw/zinc/52/94/91/384529491.db2.gz KHFPGAYKTNKLOG-JTQLQIEISA-N 1 2 205.305 2.935 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2nccn2C)c1 ZINC000161979654 384552163 /nfs/dbraw/zinc/55/21/63/384552163.db2.gz OIFQBYVIHWLHRV-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2nccn2C)c1 ZINC000161979654 384552168 /nfs/dbraw/zinc/55/21/68/384552168.db2.gz OIFQBYVIHWLHRV-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO C[C@H](NCc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC000049715516 384561375 /nfs/dbraw/zinc/56/13/75/384561375.db2.gz LZHSWJJVPZUQQL-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO CCc1nc(C[N@@H+](C(CC)CC)C2CC2)no1 ZINC000517901881 384562140 /nfs/dbraw/zinc/56/21/40/384562140.db2.gz WNROIIDMBIVJJM-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO CCc1nc(C[N@H+](C(CC)CC)C2CC2)no1 ZINC000517901881 384562143 /nfs/dbraw/zinc/56/21/43/384562143.db2.gz WNROIIDMBIVJJM-UHFFFAOYSA-N 1 2 237.347 2.785 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1Cl ZINC000049714647 384562467 /nfs/dbraw/zinc/56/24/67/384562467.db2.gz FMXUFHNFLWFGMT-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000331044985 384582557 /nfs/dbraw/zinc/58/25/57/384582557.db2.gz TVECIMUDQOLGGA-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000331044986 384583860 /nfs/dbraw/zinc/58/38/60/384583860.db2.gz TVECIMUDQOLGGA-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO Oc1ccccc1SCCCn1cc[nH+]c1 ZINC000050047077 384586052 /nfs/dbraw/zinc/58/60/52/384586052.db2.gz APCULOUSVHIZNS-UHFFFAOYSA-N 1 2 234.324 2.771 20 0 BFADLO CCCCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000162316626 384602896 /nfs/dbraw/zinc/60/28/96/384602896.db2.gz LYRHTCXLPUJXQA-UHFFFAOYSA-N 1 2 221.304 2.573 20 0 BFADLO Cc1ccnc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000309796149 384616178 /nfs/dbraw/zinc/61/61/78/384616178.db2.gz QFUUJJPNESKFIU-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1ccco1 ZINC000041011760 384633340 /nfs/dbraw/zinc/63/33/40/384633340.db2.gz OFQQAYCVYURGDH-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000050507471 384629165 /nfs/dbraw/zinc/62/91/65/384629165.db2.gz BASPHJTZRWTUIZ-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CCCC2)c(C)[nH+]1 ZINC000336145165 384630726 /nfs/dbraw/zinc/63/07/26/384630726.db2.gz SVLZFBXIAPKDKL-UHFFFAOYSA-N 1 2 233.315 2.635 20 0 BFADLO Cc1ccc(N[C@@H](C)c2ccccn2)c[nH+]1 ZINC000154249536 384597571 /nfs/dbraw/zinc/59/75/71/384597571.db2.gz QINRFYVVGNWEKC-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1cc2n(n1)CCCC2 ZINC000647280354 384664331 /nfs/dbraw/zinc/66/43/31/384664331.db2.gz ICDGHLSUEZXVMB-LLVKDONJSA-N 1 2 245.326 2.663 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1C ZINC000162698276 384668910 /nfs/dbraw/zinc/66/89/10/384668910.db2.gz KABXDQYWUZCSSP-MNOVXSKESA-N 1 2 231.343 2.836 20 0 BFADLO CCc1cc(NCc2[nH]cc[nH+]2)ccc1F ZINC000309629338 384669262 /nfs/dbraw/zinc/66/92/62/384669262.db2.gz HGZVAQLKSNARGO-UHFFFAOYSA-N 1 2 219.263 2.723 20 0 BFADLO COC(=O)[C@H]([NH2+]CC1CCC1)c1ccccc1C ZINC000184990224 384670825 /nfs/dbraw/zinc/67/08/25/384670825.db2.gz LPXOUSIHSVCWLE-CQSZACIVSA-N 1 2 247.338 2.599 20 0 BFADLO Cc1cc(C)cc([C@H](C)[NH2+]CC(F)(F)CO)c1 ZINC000184694909 384635416 /nfs/dbraw/zinc/63/54/16/384635416.db2.gz XHEMLTRZVVXPKX-NSHDSACASA-N 1 2 243.297 2.582 20 0 BFADLO CCC[NH2+][C@@H](C(=O)OCC)c1cccc(C)c1C ZINC000043315447 384645903 /nfs/dbraw/zinc/64/59/03/384645903.db2.gz QXLMCOVCRAHDFZ-CQSZACIVSA-N 1 2 249.354 2.907 20 0 BFADLO c1cn(Cc2ccc(NC3CCCC3)nc2)c[nH+]1 ZINC000353120172 384648716 /nfs/dbraw/zinc/64/87/16/384648716.db2.gz AKDKMUSCVWQTNP-UHFFFAOYSA-N 1 2 242.326 2.681 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)CCCOC)C(F)(F)F ZINC000336748116 384651126 /nfs/dbraw/zinc/65/11/26/384651126.db2.gz CJLCNVAGEGOJMM-IUCAKERBSA-N 1 2 227.270 2.732 20 0 BFADLO CC[N@H+](CCCCCO)c1cccc(C)c1 ZINC000051019881 384653805 /nfs/dbraw/zinc/65/38/05/384653805.db2.gz NGIKYRZAKKAXTL-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO CC[N@@H+](CCCCCO)c1cccc(C)c1 ZINC000051019881 384653810 /nfs/dbraw/zinc/65/38/10/384653810.db2.gz NGIKYRZAKKAXTL-UHFFFAOYSA-N 1 2 221.344 2.984 20 0 BFADLO Cc1cc(C)cc([N@H+](C)CCCCCO)c1 ZINC000051020089 384656353 /nfs/dbraw/zinc/65/63/53/384656353.db2.gz LYKNIWYKCXLUNH-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1cc(C)cc([N@@H+](C)CCCCCO)c1 ZINC000051020089 384656359 /nfs/dbraw/zinc/65/63/59/384656359.db2.gz LYKNIWYKCXLUNH-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO O=C(C1CCCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000082278158 384660596 /nfs/dbraw/zinc/66/05/96/384660596.db2.gz UVEZCQWGMKCEJJ-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030757 384723657 /nfs/dbraw/zinc/72/36/57/384723657.db2.gz JMELGJUOCXUJFG-MNOVXSKESA-N 1 2 222.332 2.588 20 0 BFADLO CCc1ccccc1C[NH2+]Cc1cn[nH]c1C ZINC000052202927 384724920 /nfs/dbraw/zinc/72/49/20/384724920.db2.gz GIZODPKURDJZER-UHFFFAOYSA-N 1 2 229.327 2.570 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000171947727 384680237 /nfs/dbraw/zinc/68/02/37/384680237.db2.gz POZCHKNIYDRDDX-JTQLQIEISA-N 1 2 239.363 2.845 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000171947727 384680246 /nfs/dbraw/zinc/68/02/46/384680246.db2.gz POZCHKNIYDRDDX-JTQLQIEISA-N 1 2 239.363 2.845 20 0 BFADLO CSc1ccc(NCC[C@@H]2CCOC2)[nH+]c1 ZINC000309872628 384680273 /nfs/dbraw/zinc/68/02/73/384680273.db2.gz RGXAXZORZNPSEK-SNVBAGLBSA-N 1 2 238.356 2.642 20 0 BFADLO COc1c(C)ccc(NCc2[nH+]ccn2C)c1C ZINC000051923087 384705431 /nfs/dbraw/zinc/70/54/31/384705431.db2.gz RCXVMEBSIXYDDY-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1ccc(NCc2cc[nH]c2)c(C)[nH+]1 ZINC000087151543 384742838 /nfs/dbraw/zinc/74/28/38/384742838.db2.gz LWHSHVMXVMIDBQ-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO CC[C@](C)(CNc1ccc[nH+]c1C)OC ZINC000319959453 384753444 /nfs/dbraw/zinc/75/34/44/384753444.db2.gz VXCQXDFTURIJOC-GFCCVEGCSA-N 1 2 208.305 2.617 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000174102881 384756453 /nfs/dbraw/zinc/75/64/53/384756453.db2.gz HUBDENNWZNJGGB-NWDGAFQWSA-N 1 2 235.327 2.516 20 0 BFADLO C[C@@H](NC(=O)C(C)(C)C1CCCC1)c1[nH]cc[nH+]1 ZINC000557047291 384768777 /nfs/dbraw/zinc/76/87/77/384768777.db2.gz IEUSCISOOREALN-SNVBAGLBSA-N 1 2 249.358 2.803 20 0 BFADLO CCc1ccc(C[NH2+]Cc2nccs2)o1 ZINC000051724754 384783335 /nfs/dbraw/zinc/78/33/35/384783335.db2.gz ADGDOJOCLIAJBB-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO CC(C)C[C@H]([NH2+]Cc1ccn[nH]1)c1ccncc1 ZINC000647288576 384803980 /nfs/dbraw/zinc/80/39/80/384803980.db2.gz HQIMBSOUQOWTRO-AWEZNQCLSA-N 1 2 244.342 2.682 20 0 BFADLO Cc1ccc(N[C@H](C)[C@]2(C)CCCO2)c[nH+]1 ZINC000309762182 384810941 /nfs/dbraw/zinc/81/09/41/384810941.db2.gz IYJGMBWVKGTEME-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO CCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301454100 384876148 /nfs/dbraw/zinc/87/61/48/384876148.db2.gz VQCBYLQRDRRRKP-UHFFFAOYSA-N 1 2 207.321 2.986 20 0 BFADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CC1 ZINC000308642686 384887090 /nfs/dbraw/zinc/88/70/90/384887090.db2.gz FPMIAALUJQYTFY-IMTBSYHQSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccco1 ZINC000186531668 384851351 /nfs/dbraw/zinc/85/13/51/384851351.db2.gz SQFQDZZEQZGVCV-WDEREUQCSA-N 1 2 235.283 2.647 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+][C@@H](C)C2CC2)cc1 ZINC000647237549 384857522 /nfs/dbraw/zinc/85/75/22/384857522.db2.gz DILKCTAMILMKMW-NSHDSACASA-N 1 2 242.326 2.786 20 0 BFADLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000175119189 384868237 /nfs/dbraw/zinc/86/82/37/384868237.db2.gz FKPRTJNCRCNJFJ-AWEZNQCLSA-N 1 2 245.326 2.740 20 0 BFADLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccon1 ZINC000175119189 384868244 /nfs/dbraw/zinc/86/82/44/384868244.db2.gz FKPRTJNCRCNJFJ-AWEZNQCLSA-N 1 2 245.326 2.740 20 0 BFADLO CSC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301517671 384889405 /nfs/dbraw/zinc/88/94/05/384889405.db2.gz GTRZBWKEHUIUET-VIFPVBQESA-N 1 2 239.388 2.938 20 0 BFADLO FC(F)c1ccc(C[NH2+]Cc2ccn[nH]2)cc1 ZINC000150117235 384960778 /nfs/dbraw/zinc/96/07/78/384960778.db2.gz PZYQLXQBOXJIKK-UHFFFAOYSA-N 1 2 237.253 2.637 20 0 BFADLO COCc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000119008954 384956995 /nfs/dbraw/zinc/95/69/95/384956995.db2.gz AEKYFXURRUBGRF-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000148604902 384896207 /nfs/dbraw/zinc/89/62/07/384896207.db2.gz FKERPSSHVSKCRK-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO CC(C)=CCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000564837099 384904892 /nfs/dbraw/zinc/90/48/92/384904892.db2.gz AUHOHKALASQOKF-UHFFFAOYSA-N 1 2 247.342 2.598 20 0 BFADLO Cc1cc[nH+]c(NC[C@H]2CC[C@@H](O)C2)c1Cl ZINC000336495862 384910847 /nfs/dbraw/zinc/91/08/47/384910847.db2.gz JDYVWADMBAZNPY-VHSXEESVSA-N 1 2 240.734 2.616 20 0 BFADLO Cc1cc[nH+]c(NC[C@H]2CCCOC2)c1Cl ZINC000336495868 384911333 /nfs/dbraw/zinc/91/13/33/384911333.db2.gz NZRNDXQJWDNNTH-SNVBAGLBSA-N 1 2 240.734 2.882 20 0 BFADLO Cc1csc(CNc2ccc(C)[nH+]c2)n1 ZINC000128034176 384926063 /nfs/dbraw/zinc/92/60/63/384926063.db2.gz GTGARILVUROHIY-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1ccc(NCc2cnn(C(C)(C)C)c2)c[nH+]1 ZINC000128003960 384977894 /nfs/dbraw/zinc/97/78/94/384977894.db2.gz IKSKJJOFRROFTQ-UHFFFAOYSA-N 1 2 244.342 2.954 20 0 BFADLO COC(=O)[C@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1 ZINC000310761295 384994676 /nfs/dbraw/zinc/99/46/76/384994676.db2.gz AXKCFBWHIXELLF-GXTWGEPZSA-N 1 2 249.354 2.782 20 0 BFADLO COc1cc(C)cc(CNc2cc[nH+]c(C)n2)c1 ZINC000128113283 384995510 /nfs/dbraw/zinc/99/55/10/384995510.db2.gz LXESNAOEKRVHHK-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO COC(=O)[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccccc1 ZINC000310761300 384996489 /nfs/dbraw/zinc/99/64/89/384996489.db2.gz AXKCFBWHIXELLF-TZMCWYRMSA-N 1 2 249.354 2.782 20 0 BFADLO CCCc1noc(C[NH2+][C@H](C)c2ccccc2)n1 ZINC000128147476 385003183 /nfs/dbraw/zinc/00/31/83/385003183.db2.gz FBBZXNXDKDIHQE-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO CCCCCC(=O)Nc1cc[nH+]cc1C ZINC000107290622 384961586 /nfs/dbraw/zinc/96/15/86/384961586.db2.gz PMIZDCXOBHCNMU-UHFFFAOYSA-N 1 2 206.289 2.909 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@@H]1C ZINC000287512590 385109464 /nfs/dbraw/zinc/10/94/64/385109464.db2.gz MFYGSSYJUQLIGW-JTQLQIEISA-N 1 2 233.315 2.715 20 0 BFADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2)no1 ZINC000279557474 385141543 /nfs/dbraw/zinc/14/15/43/385141543.db2.gz KAHIIFOJYKMZJW-JTQLQIEISA-N 1 2 217.272 2.860 20 0 BFADLO O=[S@@](Cc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000176636536 385124233 /nfs/dbraw/zinc/12/42/33/385124233.db2.gz KMDFNPACKKIEJR-KRWDZBQOSA-N 1 2 248.351 2.526 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716747 385133833 /nfs/dbraw/zinc/13/38/33/385133833.db2.gz RSTRYRJEIXMOHG-JKSUJKDBSA-N 1 2 245.366 2.858 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716747 385133840 /nfs/dbraw/zinc/13/38/40/385133840.db2.gz RSTRYRJEIXMOHG-JKSUJKDBSA-N 1 2 245.366 2.858 20 0 BFADLO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1nccs1 ZINC000643800691 385099771 /nfs/dbraw/zinc/09/97/71/385099771.db2.gz USBINWMHCBPPDY-YPMHNXCESA-N 1 2 248.326 2.870 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC(C)(C)CF ZINC000334154376 385100779 /nfs/dbraw/zinc/10/07/79/385100779.db2.gz REHLGNAEDIUMCO-UHFFFAOYSA-N 1 2 239.294 2.568 20 0 BFADLO CC(C)c1nc(N[C@H]2CCSC2)cc[nH+]1 ZINC000308822170 385192799 /nfs/dbraw/zinc/19/27/99/385192799.db2.gz CJEKXQVCCSVDQK-VIFPVBQESA-N 1 2 223.345 2.517 20 0 BFADLO c1[nH+]c2ccccn2c1CN1CCc2ccccc21 ZINC000157337179 385150147 /nfs/dbraw/zinc/15/01/47/385150147.db2.gz JTWXMFMIWUJKLH-UHFFFAOYSA-N 1 2 249.317 2.897 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccccn1 ZINC000294148993 385166441 /nfs/dbraw/zinc/16/64/41/385166441.db2.gz PWUARTKWOWCURF-MDZLAQPJSA-N 1 2 242.326 2.635 20 0 BFADLO CCc1cnc(CNc2cccc[nH+]2)s1 ZINC000230054098 385175421 /nfs/dbraw/zinc/17/54/21/385175421.db2.gz IYORZXNJZAAMDD-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO CC(C)[C@H]([NH2+]C[C@@H]1CCSC1)C(F)(F)F ZINC000308842257 385212313 /nfs/dbraw/zinc/21/23/13/385212313.db2.gz KNVDMBHDNPERQU-IUCAKERBSA-N 1 2 241.322 2.916 20 0 BFADLO Cc1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000227841290 385257205 /nfs/dbraw/zinc/25/72/05/385257205.db2.gz URKAETOEGYARNM-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000227841290 385257210 /nfs/dbraw/zinc/25/72/10/385257210.db2.gz URKAETOEGYARNM-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CCCC[N@H+](Cc1nnc(C)s1)C1CC1 ZINC000358493122 385242821 /nfs/dbraw/zinc/24/28/21/385242821.db2.gz AANFJVDYBUGVEW-UHFFFAOYSA-N 1 2 225.361 2.611 20 0 BFADLO CCCC[N@@H+](Cc1nnc(C)s1)C1CC1 ZINC000358493122 385242826 /nfs/dbraw/zinc/24/28/26/385242826.db2.gz AANFJVDYBUGVEW-UHFFFAOYSA-N 1 2 225.361 2.611 20 0 BFADLO Fc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000308888934 385245555 /nfs/dbraw/zinc/24/55/55/385245555.db2.gz VNRTXEGBUAETOB-UHFFFAOYSA-N 1 2 215.218 2.713 20 0 BFADLO C[C@@H](O)CCCNc1ccc2ccccc2[nH+]1 ZINC000227994566 385306718 /nfs/dbraw/zinc/30/67/18/385306718.db2.gz GKCTZHBYORVWQH-LLVKDONJSA-N 1 2 230.311 2.808 20 0 BFADLO Clc1ccc2c(c1)CCN(Cc1[nH]cc[nH+]1)C2 ZINC000191612115 385310987 /nfs/dbraw/zinc/31/09/87/385310987.db2.gz NNHMLHCRHBETFK-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1cc(N[C@@H]2COCC2(C)C)nc(C(C)C)[nH+]1 ZINC000313064060 385316667 /nfs/dbraw/zinc/31/66/67/385316667.db2.gz QVKBENMCRHZEJH-LLVKDONJSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1nnc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000177824938 385290668 /nfs/dbraw/zinc/29/06/68/385290668.db2.gz FNIHCSFVHFZDRJ-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000177824938 385290674 /nfs/dbraw/zinc/29/06/74/385290674.db2.gz FNIHCSFVHFZDRJ-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nc(N2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000178230275 385346575 /nfs/dbraw/zinc/34/65/75/385346575.db2.gz XFWLOKKWBPPOLK-OLZOCXBDSA-N 1 2 231.343 2.944 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccnn1C ZINC000192247572 385350399 /nfs/dbraw/zinc/35/03/99/385350399.db2.gz KKVNEABSMBNTPK-LLVKDONJSA-N 1 2 244.342 2.659 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000179153493 385371089 /nfs/dbraw/zinc/37/10/89/385371089.db2.gz MCWSNEUNNKALKB-SMDDNHRTSA-N 1 2 247.338 2.679 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000179153469 385371239 /nfs/dbraw/zinc/37/12/39/385371239.db2.gz MCWSNEUNNKALKB-FZMZJTMJSA-N 1 2 247.338 2.679 20 0 BFADLO CC(C)c1nc(NCC2(C)CC2)cc[nH+]1 ZINC000309017809 385373326 /nfs/dbraw/zinc/37/33/26/385373326.db2.gz VHPLXHJYMIFVGY-UHFFFAOYSA-N 1 2 205.305 2.812 20 0 BFADLO FCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000280836824 385374635 /nfs/dbraw/zinc/37/46/35/385374635.db2.gz XTVXSAOQGFWBIH-UHFFFAOYSA-N 1 2 242.344 2.931 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000178591196 385396324 /nfs/dbraw/zinc/39/63/24/385396324.db2.gz CNVBHGGHOAGPAV-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2cc(F)ccc2F)[C@H]1C ZINC000178591196 385396325 /nfs/dbraw/zinc/39/63/25/385396325.db2.gz CNVBHGGHOAGPAV-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cccnc1Cl ZINC000052709276 385447596 /nfs/dbraw/zinc/44/75/96/385447596.db2.gz ZHLDAGRZFQIZQI-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cccnc1Cl ZINC000052709276 385447598 /nfs/dbraw/zinc/44/75/98/385447598.db2.gz ZHLDAGRZFQIZQI-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1nc(C[NH2+]C2(c3ccccc3)CCC2)no1 ZINC000170907371 385454826 /nfs/dbraw/zinc/45/48/26/385454826.db2.gz MHKSUUHHAYMYCH-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(F)cc1F ZINC000182074638 385428779 /nfs/dbraw/zinc/42/87/79/385428779.db2.gz SEMVQJDDKDWWQU-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CCC(CC)(CC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000644084512 385434795 /nfs/dbraw/zinc/43/47/95/385434795.db2.gz VXUXBVSAPRQTLM-UHFFFAOYSA-N 1 2 235.331 2.649 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)o1 ZINC000179564978 385473687 /nfs/dbraw/zinc/47/36/87/385473687.db2.gz DYJMSIUCDUUWGU-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)o1 ZINC000179564978 385473693 /nfs/dbraw/zinc/47/36/93/385473693.db2.gz DYJMSIUCDUUWGU-GFCCVEGCSA-N 1 2 230.311 2.966 20 0 BFADLO Clc1cccc2c1CCN(Cc1c[nH+]c[nH]1)C2 ZINC000179562295 385474690 /nfs/dbraw/zinc/47/46/90/385474690.db2.gz VJKJVFLPAKUAFO-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO CCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCCC1 ZINC000616927869 385488526 /nfs/dbraw/zinc/48/85/26/385488526.db2.gz RUUQQMMTELZLMW-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO CCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCCC1 ZINC000616927869 385488530 /nfs/dbraw/zinc/48/85/30/385488530.db2.gz RUUQQMMTELZLMW-UHFFFAOYSA-N 1 2 249.358 2.729 20 0 BFADLO COc1ccc2[nH+]c(NCCCCF)ccc2c1 ZINC000643165790 385480494 /nfs/dbraw/zinc/48/04/94/385480494.db2.gz IVKZMHMOPSTIKA-UHFFFAOYSA-N 1 2 248.301 2.827 20 0 BFADLO CC/C=C(\C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000171481956 385488867 /nfs/dbraw/zinc/48/88/67/385488867.db2.gz HOYPWZJEBGGGIM-BCMYLCSRSA-N 1 2 247.342 2.820 20 0 BFADLO C[C@H](C[C@H]1CCCO1)Nc1cc[nH+]c(C2CC2)n1 ZINC000110484470 385492951 /nfs/dbraw/zinc/49/29/51/385492951.db2.gz VTKNNVUHXCZHST-ZYHUDNBSSA-N 1 2 247.342 2.724 20 0 BFADLO C[N@H+](Cc1csnn1)[C@@H]1CCc2ccccc21 ZINC000179908358 385500268 /nfs/dbraw/zinc/50/02/68/385500268.db2.gz ZJBSYQOCDPWQKT-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1csnn1)[C@@H]1CCc2ccccc21 ZINC000179908358 385500269 /nfs/dbraw/zinc/50/02/69/385500269.db2.gz ZJBSYQOCDPWQKT-CYBMUJFWSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@H+](Cc1cscn1)[C@@H]1C=CCCC1 ZINC000171734770 385513805 /nfs/dbraw/zinc/51/38/05/385513805.db2.gz ZNXGDYVMFZBTKR-LLVKDONJSA-N 1 2 208.330 2.684 20 0 BFADLO C[N@@H+](Cc1cscn1)[C@@H]1C=CCCC1 ZINC000171734770 385513809 /nfs/dbraw/zinc/51/38/09/385513809.db2.gz ZNXGDYVMFZBTKR-LLVKDONJSA-N 1 2 208.330 2.684 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000157868915 385530432 /nfs/dbraw/zinc/53/04/32/385530432.db2.gz DVGKBPXOZDJPFT-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000157868915 385530437 /nfs/dbraw/zinc/53/04/37/385530437.db2.gz DVGKBPXOZDJPFT-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO Cc1csc(CNc2ccc(N(C)C)[nH+]c2)n1 ZINC000158119922 385549345 /nfs/dbraw/zinc/54/93/45/385549345.db2.gz ZBKGZLZRSHYYKY-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1ccc(N[C@H](C)COC(C)C)c(C)[nH+]1 ZINC000309303359 385526120 /nfs/dbraw/zinc/52/61/20/385526120.db2.gz ACNKDTIIXYBWOD-LLVKDONJSA-N 1 2 222.332 2.924 20 0 BFADLO CCC[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000493203714 385554981 /nfs/dbraw/zinc/55/49/81/385554981.db2.gz IMBWRBCQYXAGNL-WSKFYRRCSA-N 1 2 249.358 2.754 20 0 BFADLO c1cn(CCSCC2=CCCC2)c[nH+]1 ZINC000592459362 385572309 /nfs/dbraw/zinc/57/23/09/385572309.db2.gz BSKODYOLFXKYBS-UHFFFAOYSA-N 1 2 208.330 2.727 20 0 BFADLO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)o1 ZINC000353331160 385602228 /nfs/dbraw/zinc/60/22/28/385602228.db2.gz SUMIJXQHVJXSQN-CYBMUJFWSA-N 1 2 248.370 2.511 20 0 BFADLO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)o1 ZINC000353331160 385602230 /nfs/dbraw/zinc/60/22/30/385602230.db2.gz SUMIJXQHVJXSQN-CYBMUJFWSA-N 1 2 248.370 2.511 20 0 BFADLO Cc1cncc([C@H](C)[NH2+]Cc2cscn2)c1 ZINC000184331004 385616101 /nfs/dbraw/zinc/61/61/01/385616101.db2.gz YHKXPVDOYKBMQH-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCC[C@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000337355012 385616563 /nfs/dbraw/zinc/61/65/63/385616563.db2.gz BSTHPHWEKLBWHH-WCQYABFASA-N 1 2 244.342 2.672 20 0 BFADLO Cc1ccncc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000269654373 385617984 /nfs/dbraw/zinc/61/79/84/385617984.db2.gz HFQLWZREHNAQLN-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccncc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000269654373 385617988 /nfs/dbraw/zinc/61/79/88/385617988.db2.gz HFQLWZREHNAQLN-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO CC(C)c1ccc(C[NH2+]Cc2ncccn2)cc1 ZINC000054459678 385628734 /nfs/dbraw/zinc/62/87/34/385628734.db2.gz SGDSUAMBFYKWPD-UHFFFAOYSA-N 1 2 241.338 2.890 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC000270061438 385665345 /nfs/dbraw/zinc/66/53/45/385665345.db2.gz FOXQONJEFDQWHV-NSHDSACASA-N 1 2 249.358 2.551 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000337433139 385658274 /nfs/dbraw/zinc/65/82/74/385658274.db2.gz ZYIZZLYUAUETEF-GFCCVEGCSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000337433139 385658276 /nfs/dbraw/zinc/65/82/76/385658276.db2.gz ZYIZZLYUAUETEF-GFCCVEGCSA-N 1 2 240.297 2.744 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000182336865 385659926 /nfs/dbraw/zinc/65/99/26/385659926.db2.gz VXPMZSPTSABHFL-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO COC(=O)C[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000309522801 385661570 /nfs/dbraw/zinc/66/15/70/385661570.db2.gz ATIQPJXRWKWBSC-JTQLQIEISA-N 1 2 241.356 2.598 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000309536041 385676477 /nfs/dbraw/zinc/67/64/77/385676477.db2.gz FAJTVPREBINEAV-WDEREUQCSA-N 1 2 217.316 2.810 20 0 BFADLO Cc1cn2cc(NC(=O)[C@@H]3CC3(C)C)ccc2[nH+]1 ZINC000337470322 385677579 /nfs/dbraw/zinc/67/75/79/385677579.db2.gz VDQMTMKIEDSKKM-NSHDSACASA-N 1 2 243.310 2.627 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cc(C)ccn1 ZINC000645227049 385692197 /nfs/dbraw/zinc/69/21/97/385692197.db2.gz AOHVTUNIRNVPRW-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cc(C)ccn1 ZINC000645227049 385692202 /nfs/dbraw/zinc/69/22/02/385692202.db2.gz AOHVTUNIRNVPRW-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000307510590 385695981 /nfs/dbraw/zinc/69/59/81/385695981.db2.gz KPQMJAGNBKIDPV-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1ncc(Cl)s1 ZINC000307510590 385695986 /nfs/dbraw/zinc/69/59/86/385695986.db2.gz KPQMJAGNBKIDPV-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO CC[C@@H](CC(F)(F)F)Nc1cc[nH+]c(C)n1 ZINC000309575684 385709048 /nfs/dbraw/zinc/70/90/48/385709048.db2.gz OVJIDQYYGUYBLZ-QMMMGPOBSA-N 1 2 233.237 2.928 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)no1 ZINC000182893054 385718553 /nfs/dbraw/zinc/71/85/53/385718553.db2.gz OAHQENTUZJAKFL-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)no1 ZINC000182893033 385718665 /nfs/dbraw/zinc/71/86/65/385718665.db2.gz OAHQENTUZJAKFL-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1occc1C ZINC000414544598 385715047 /nfs/dbraw/zinc/71/50/47/385715047.db2.gz DCTCRXODPQAVAB-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1occc1C ZINC000414544598 385715053 /nfs/dbraw/zinc/71/50/53/385715053.db2.gz DCTCRXODPQAVAB-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000282185940 385738913 /nfs/dbraw/zinc/73/89/13/385738913.db2.gz WFGLLJOHDYDQRA-SNVBAGLBSA-N 1 2 247.367 2.982 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355825694 385745709 /nfs/dbraw/zinc/74/57/09/385745709.db2.gz IXDRJECZHZQOHM-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO Cn1c(Cl)cnc1C[N@H+](C)[C@H]1C=CCCC1 ZINC000183247806 385746023 /nfs/dbraw/zinc/74/60/23/385746023.db2.gz DLYZYXMJFWQDND-JTQLQIEISA-N 1 2 239.750 2.614 20 0 BFADLO Cn1c(Cl)cnc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC000183247806 385746029 /nfs/dbraw/zinc/74/60/29/385746029.db2.gz DLYZYXMJFWQDND-JTQLQIEISA-N 1 2 239.750 2.614 20 0 BFADLO CN(c1[nH]c2ccccc2[nH+]1)C1CCC1 ZINC000258825135 385778815 /nfs/dbraw/zinc/77/88/15/385778815.db2.gz NXZQOWKIESGSLP-UHFFFAOYSA-N 1 2 201.273 2.552 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(F)(F)F ZINC000309666571 385781406 /nfs/dbraw/zinc/78/14/06/385781406.db2.gz UKMPAMBGTQWFAV-UTLUCORTSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H](Nc1ccc(C)nc1)c1[nH+]ccn1C ZINC000182910224 385721018 /nfs/dbraw/zinc/72/10/18/385721018.db2.gz PAVSDRBHIYOSBP-LBPRGKRZSA-N 1 2 230.315 2.687 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]CCCCCO ZINC000270592417 385723001 /nfs/dbraw/zinc/72/30/01/385723001.db2.gz SXXCPOJQYZMTBX-UHFFFAOYSA-N 1 2 237.343 2.968 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccon2)cc1C ZINC000271201671 385804666 /nfs/dbraw/zinc/80/46/66/385804666.db2.gz PWVXYCLOVINERP-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1C ZINC000271201671 385804672 /nfs/dbraw/zinc/80/46/72/385804672.db2.gz PWVXYCLOVINERP-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC(C)(CCCO)CNc1cc[nH+]c(C2CC2)n1 ZINC000271292113 385815534 /nfs/dbraw/zinc/81/55/34/385815534.db2.gz AGUOMQAIMVHZFR-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cscn1 ZINC000271446128 385828635 /nfs/dbraw/zinc/82/86/35/385828635.db2.gz CZEGXCLJBLKSOL-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cscn1 ZINC000271446128 385828638 /nfs/dbraw/zinc/82/86/38/385828638.db2.gz CZEGXCLJBLKSOL-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccccn1 ZINC000271455897 385830948 /nfs/dbraw/zinc/83/09/48/385830948.db2.gz FMJREJKVDBLYDW-GXFFZTMASA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccn1 ZINC000271455897 385830952 /nfs/dbraw/zinc/83/09/52/385830952.db2.gz FMJREJKVDBLYDW-GXFFZTMASA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]1CCCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413222305 385832586 /nfs/dbraw/zinc/83/25/86/385832586.db2.gz BLUGSTXXYQMQDX-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413222305 385832591 /nfs/dbraw/zinc/83/25/91/385832591.db2.gz BLUGSTXXYQMQDX-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@H]1CC[C@H](C)N1c1cc[nH+]c(C)n1 ZINC000271496598 385833820 /nfs/dbraw/zinc/83/38/20/385833820.db2.gz WORXLORTPZMMRS-ONGXEEELSA-N 1 2 205.305 2.552 20 0 BFADLO CC[N@H+](CC1CCOCC1)c1ccccc1 ZINC000112697057 385842570 /nfs/dbraw/zinc/84/25/70/385842570.db2.gz OSKHACBWDHMONF-UHFFFAOYSA-N 1 2 219.328 2.940 20 0 BFADLO CC[N@@H+](CC1CCOCC1)c1ccccc1 ZINC000112697057 385842573 /nfs/dbraw/zinc/84/25/73/385842573.db2.gz OSKHACBWDHMONF-UHFFFAOYSA-N 1 2 219.328 2.940 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000638116617 385849216 /nfs/dbraw/zinc/84/92/16/385849216.db2.gz KRVYTRBJFLBRHX-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)c(F)c1 ZINC000638116617 385849220 /nfs/dbraw/zinc/84/92/20/385849220.db2.gz KRVYTRBJFLBRHX-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO CSCCCNc1cc[nH+]c(C(C)C)n1 ZINC000123053305 385851781 /nfs/dbraw/zinc/85/17/81/385851781.db2.gz FDUYOXHTBCKZNB-UHFFFAOYSA-N 1 2 225.361 2.765 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)c(F)c1 ZINC000638115650 385851936 /nfs/dbraw/zinc/85/19/36/385851936.db2.gz UFJMSPCWZDBQGO-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)c(F)c1 ZINC000638115650 385851938 /nfs/dbraw/zinc/85/19/38/385851938.db2.gz UFJMSPCWZDBQGO-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO CSCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000123092510 385854892 /nfs/dbraw/zinc/85/48/92/385854892.db2.gz JGEZKESCGBPKPW-UHFFFAOYSA-N 1 2 237.372 2.909 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2ccccc2F)n1 ZINC000284182848 385855715 /nfs/dbraw/zinc/85/57/15/385855715.db2.gz XTAKGEWUZCIOKI-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccc(C)c2C)no1 ZINC000183714593 385789114 /nfs/dbraw/zinc/78/91/14/385789114.db2.gz CQVOZBSTVIKEHE-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc([C@H](C)Nc2ccc(C)[nH+]c2)nn1C ZINC000282858992 385792294 /nfs/dbraw/zinc/79/22/94/385792294.db2.gz UNXAURIWWSVTHU-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO COCC[C@H](Nc1cc[nH+]c(C)n1)c1ccco1 ZINC000272430840 385901279 /nfs/dbraw/zinc/90/12/79/385901279.db2.gz GQHNCZGNWCGYMX-NSHDSACASA-N 1 2 247.298 2.568 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000272495327 385907625 /nfs/dbraw/zinc/90/76/25/385907625.db2.gz NHOWPDSIUQNULN-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000272495327 385907626 /nfs/dbraw/zinc/90/76/26/385907626.db2.gz NHOWPDSIUQNULN-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO CC[C@@H](C)[C@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294909167 385914556 /nfs/dbraw/zinc/91/45/56/385914556.db2.gz IDUKJSMTKHGGLC-PWSUYJOCSA-N 1 2 249.358 2.827 20 0 BFADLO C[C@H]1CSC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000294951164 385924003 /nfs/dbraw/zinc/92/40/03/385924003.db2.gz VNPDERBJAYAOIE-GXFFZTMASA-N 1 2 236.384 2.916 20 0 BFADLO C[C@H]1CSC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000294951164 385924010 /nfs/dbraw/zinc/92/40/10/385924010.db2.gz VNPDERBJAYAOIE-GXFFZTMASA-N 1 2 236.384 2.916 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)cc2C)n1 ZINC000340471794 385859658 /nfs/dbraw/zinc/85/96/58/385859658.db2.gz JVOWZCORFTXEET-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)c1ccccn1 ZINC000294965693 385928256 /nfs/dbraw/zinc/92/82/56/385928256.db2.gz NNOBWPXPGFZTLI-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO C1=C(CCNc2cc[nH+]c3ccncc23)CCC1 ZINC000338044499 385880948 /nfs/dbraw/zinc/88/09/48/385880948.db2.gz OIRBENYWMSQACD-UHFFFAOYSA-N 1 2 239.322 2.964 20 0 BFADLO Fc1ccc(C2CC2)cc1C[NH2+]Cc1ncc[nH]1 ZINC000295141990 385977386 /nfs/dbraw/zinc/97/73/86/385977386.db2.gz PYVHCMLNJXAXKO-UHFFFAOYSA-N 1 2 245.301 2.716 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccn2C)co1 ZINC000647967080 385980701 /nfs/dbraw/zinc/98/07/01/385980701.db2.gz PPBYQYPKSMXSAK-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccn2C)co1 ZINC000647967080 385980708 /nfs/dbraw/zinc/98/07/08/385980708.db2.gz PPBYQYPKSMXSAK-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2cccn2C)co1 ZINC000647967079 385980924 /nfs/dbraw/zinc/98/09/24/385980924.db2.gz PPBYQYPKSMXSAK-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2cccn2C)co1 ZINC000647967079 385980928 /nfs/dbraw/zinc/98/09/28/385980928.db2.gz PPBYQYPKSMXSAK-AWEZNQCLSA-N 1 2 245.326 2.659 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]2C2CCC2)nc[nH+]1 ZINC000644879623 385988417 /nfs/dbraw/zinc/98/84/17/385988417.db2.gz AQFKZPYHGPRRLH-NWDGAFQWSA-N 1 2 217.316 2.640 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000335040072 385930561 /nfs/dbraw/zinc/93/05/61/385930561.db2.gz BKKXBVQACAQRLW-WDEREUQCSA-N 1 2 248.326 2.855 20 0 BFADLO Cn1cc[nH+]c1CN1CCc2cc(Cl)ccc21 ZINC000285482834 385931049 /nfs/dbraw/zinc/93/10/49/385931049.db2.gz OSPDYHAJHSFPLC-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO Cc1nsc(NCCCc2[nH+]cccc2C)n1 ZINC000295030358 385947775 /nfs/dbraw/zinc/94/77/75/385947775.db2.gz RRWDJSPRUJMNDA-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2conc2C)o1 ZINC000295026689 385948215 /nfs/dbraw/zinc/94/82/15/385948215.db2.gz XCDUPYGIRMQTDU-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2conc2C)o1 ZINC000295026689 385948223 /nfs/dbraw/zinc/94/82/23/385948223.db2.gz XCDUPYGIRMQTDU-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CO[C@@H]1CCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000273083306 385965577 /nfs/dbraw/zinc/96/55/77/385965577.db2.gz HDEJBVCGLABMMO-NEPJUHHUSA-N 1 2 248.351 2.994 20 0 BFADLO Cc1cnc(C[NH2+]C(C)(C)c2c(C)noc2C)o1 ZINC000285842002 385968869 /nfs/dbraw/zinc/96/88/69/385968869.db2.gz XJUAGAZXGYYGIG-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)ccn2)on1 ZINC000286246494 386015567 /nfs/dbraw/zinc/01/55/67/386015567.db2.gz UGFPHPWARVXWJS-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO C[N@H+](Cc1c(F)ccc(O)c1F)C1CCC1 ZINC000295372360 386019356 /nfs/dbraw/zinc/01/93/56/386019356.db2.gz OLGHYLWGJIJVNJ-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO C[N@@H+](Cc1c(F)ccc(O)c1F)C1CCC1 ZINC000295372360 386019365 /nfs/dbraw/zinc/01/93/65/386019365.db2.gz OLGHYLWGJIJVNJ-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCC[C@@H](CC)C2 ZINC000414178002 386020637 /nfs/dbraw/zinc/02/06/37/386020637.db2.gz JPHLLKHKUHRAQW-OCCSQVGLSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@@]12CCC[C@@H](CC)C2 ZINC000414178002 386020641 /nfs/dbraw/zinc/02/06/41/386020641.db2.gz JPHLLKHKUHRAQW-OCCSQVGLSA-N 1 2 238.375 2.515 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295590267 386057831 /nfs/dbraw/zinc/05/78/31/386057831.db2.gz BYIRSSCLCHQDLU-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO CC1=C(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC1 ZINC000335071364 386022338 /nfs/dbraw/zinc/02/23/38/386022338.db2.gz CNCKVZPNAWKZGZ-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000295590267 386057837 /nfs/dbraw/zinc/05/78/37/386057837.db2.gz BYIRSSCLCHQDLU-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2CC=CCC2)c[nH+]1 ZINC000335060766 386027023 /nfs/dbraw/zinc/02/70/23/386027023.db2.gz YYMIMFDKFNKWAC-CYBMUJFWSA-N 1 2 244.338 2.671 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC000335060768 386027743 /nfs/dbraw/zinc/02/77/43/386027743.db2.gz YYMIMFDKFNKWAC-ZDUSSCGKSA-N 1 2 244.338 2.671 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)CCC(C)C)nn1C ZINC000643284577 386045045 /nfs/dbraw/zinc/04/50/45/386045045.db2.gz WKBWZMJOHKOJIZ-UHFFFAOYSA-N 1 2 243.782 2.860 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)CCC(C)C)nn1C ZINC000643284577 386045051 /nfs/dbraw/zinc/04/50/51/386045051.db2.gz WKBWZMJOHKOJIZ-UHFFFAOYSA-N 1 2 243.782 2.860 20 0 BFADLO Fc1cccc(COCc2[nH]cc[nH+]2)c1Cl ZINC000338558078 386050914 /nfs/dbraw/zinc/05/09/14/386050914.db2.gz UDAHGQVEAMMUJM-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO CSc1ccc(N[C@@H](C)Cn2cccn2)[nH+]c1 ZINC000345187072 386053876 /nfs/dbraw/zinc/05/38/76/386053876.db2.gz NVLAGLWGHDYNDR-JTQLQIEISA-N 1 2 248.355 2.501 20 0 BFADLO c1cn(CCCNc2nc3ccccc3o2)c[nH+]1 ZINC000037981188 386107890 /nfs/dbraw/zinc/10/78/90/386107890.db2.gz NFXDWGPHDYKLAA-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2nc(C)no2)cc1 ZINC000037980689 386108408 /nfs/dbraw/zinc/10/84/08/386108408.db2.gz MIECBLMJPJWQFL-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CC(C(F)F)C1 ZINC000647930030 386123718 /nfs/dbraw/zinc/12/37/18/386123718.db2.gz MGYSCGUZHWRPLR-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000295946865 386110447 /nfs/dbraw/zinc/11/04/47/386110447.db2.gz GUDWKLJYUSWSFA-AWEZNQCLSA-N 1 2 247.317 2.658 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000295946865 386110450 /nfs/dbraw/zinc/11/04/50/386110450.db2.gz GUDWKLJYUSWSFA-AWEZNQCLSA-N 1 2 247.317 2.658 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2C)s1 ZINC000038011100 386111858 /nfs/dbraw/zinc/11/18/58/386111858.db2.gz ZBQOOCRPLZQGES-JTQLQIEISA-N 1 2 235.356 2.939 20 0 BFADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1cccs1 ZINC000286623112 386060752 /nfs/dbraw/zinc/06/07/52/386060752.db2.gz XTEBJMRQMQVUPN-SECBINFHSA-N 1 2 247.310 2.604 20 0 BFADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1cccs1 ZINC000286623112 386060758 /nfs/dbraw/zinc/06/07/58/386060758.db2.gz XTEBJMRQMQVUPN-SECBINFHSA-N 1 2 247.310 2.604 20 0 BFADLO CCn1ccc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)n1 ZINC000414211736 386066162 /nfs/dbraw/zinc/06/61/62/386066162.db2.gz QLDBPNDBMINEBA-NSHDSACASA-N 1 2 247.342 2.964 20 0 BFADLO CC(C)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000274136038 386074782 /nfs/dbraw/zinc/07/47/82/386074782.db2.gz FZLRVZZWXRCEFD-GFCCVEGCSA-N 1 2 238.400 2.835 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)c1cccc(C)c1)C1CC1 ZINC000234531941 386077335 /nfs/dbraw/zinc/07/73/35/386077335.db2.gz AVRJBDYCADILTB-RISCZKNCSA-N 1 2 247.338 2.597 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000345247879 386080350 /nfs/dbraw/zinc/08/03/50/386080350.db2.gz JJNRERHJFZTNBQ-MNOVXSKESA-N 1 2 243.310 2.709 20 0 BFADLO COC[C@@H](C)[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287441644 386123094 /nfs/dbraw/zinc/12/30/94/386123094.db2.gz QCCYMIUWIBLXOQ-SECBINFHSA-N 1 2 225.719 2.691 20 0 BFADLO COC[C@@H](C)[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287441644 386123098 /nfs/dbraw/zinc/12/30/98/386123098.db2.gz QCCYMIUWIBLXOQ-SECBINFHSA-N 1 2 225.719 2.691 20 0 BFADLO CSc1ccccc1Cn1cc[nH+]c1 ZINC000335979636 386096491 /nfs/dbraw/zinc/09/64/91/386096491.db2.gz VOXSJHSGVHGHJE-UHFFFAOYSA-N 1 2 204.298 2.653 20 0 BFADLO Cc1occc1SCc1c[nH+]cn1C ZINC000274775892 386149239 /nfs/dbraw/zinc/14/92/39/386149239.db2.gz WDAOBWXELJGWPB-UHFFFAOYSA-N 1 2 208.286 2.614 20 0 BFADLO CCC[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000287874827 386154655 /nfs/dbraw/zinc/15/46/55/386154655.db2.gz PMGIGWRNHJCEBC-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO C[C@H](CCCCO)Nc1cc[nH+]c2ccncc12 ZINC000296376326 386168952 /nfs/dbraw/zinc/16/89/52/386168952.db2.gz TTYRAKDYTXVGIW-LLVKDONJSA-N 1 2 245.326 2.593 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cncc(F)c1 ZINC000275148414 386184462 /nfs/dbraw/zinc/18/44/62/386184462.db2.gz RJCODXHNUNNHPG-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cncc(F)c1 ZINC000275148414 386184466 /nfs/dbraw/zinc/18/44/66/386184466.db2.gz RJCODXHNUNNHPG-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO Clc1cccc2c1C[N@H+](C[C@@H]1CCCO1)C2 ZINC000287481558 386126379 /nfs/dbraw/zinc/12/63/79/386126379.db2.gz SHEARANAOPLZIL-NSHDSACASA-N 1 2 237.730 2.835 20 0 BFADLO Clc1cccc2c1C[N@@H+](C[C@@H]1CCCO1)C2 ZINC000287481558 386126387 /nfs/dbraw/zinc/12/63/87/386126387.db2.gz SHEARANAOPLZIL-NSHDSACASA-N 1 2 237.730 2.835 20 0 BFADLO CN(C)c1ccc([NH2+]C[C@H]2CCSC2)cc1 ZINC000224319572 386133669 /nfs/dbraw/zinc/13/36/69/386133669.db2.gz ABEYBMGPMLSTBP-LLVKDONJSA-N 1 2 236.384 2.918 20 0 BFADLO C[NH+](C)c1ccc(NC[C@H]2CCSC2)cc1 ZINC000224319572 386133671 /nfs/dbraw/zinc/13/36/71/386133671.db2.gz ABEYBMGPMLSTBP-LLVKDONJSA-N 1 2 236.384 2.918 20 0 BFADLO CC(C)CCSc1[nH+]cnc2c1cnn2C ZINC000296093134 386135161 /nfs/dbraw/zinc/13/51/61/386135161.db2.gz UEKXUXOKNDEYQG-UHFFFAOYSA-N 1 2 236.344 2.502 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000296837682 386205775 /nfs/dbraw/zinc/20/57/75/386205775.db2.gz HTEDMVDHATXSLB-ABZNLYFFSA-N 1 2 247.342 2.674 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1noc2c1CCCC2 ZINC000288505159 386209522 /nfs/dbraw/zinc/20/95/22/386209522.db2.gz SIWIGZSANQUFKG-UHFFFAOYSA-N 1 2 246.310 2.745 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2CC23CCC3)cc(C)[nH+]1 ZINC000643318869 386217947 /nfs/dbraw/zinc/21/79/47/386217947.db2.gz ONOVMTVUEVBNAT-CYBMUJFWSA-N 1 2 244.338 2.505 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccco2)s1 ZINC000125180068 386224019 /nfs/dbraw/zinc/22/40/19/386224019.db2.gz NAQAUEATYAAQJZ-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Cn1c[nH+]cc1COc1ccc2c(c1)CCCC2 ZINC000339068685 386231407 /nfs/dbraw/zinc/23/14/07/386231407.db2.gz MDHNTTNJXXWVLW-UHFFFAOYSA-N 1 2 242.322 2.878 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2cncs2)s1 ZINC000125282401 386240698 /nfs/dbraw/zinc/24/06/98/386240698.db2.gz QKENORYJKPLMNC-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1ccc(Cc2noc([C@@H]3CC34CC4)n2)c[nH+]1 ZINC000351306663 386243361 /nfs/dbraw/zinc/24/33/61/386243361.db2.gz VWXHSPUBIXPVSD-NSHDSACASA-N 1 2 241.294 2.631 20 0 BFADLO CCC1(C)C[NH+](Cc2cc(F)ncc2F)C1 ZINC000297397874 386252170 /nfs/dbraw/zinc/25/21/70/386252170.db2.gz LEAOTKFMAKWIMI-UHFFFAOYSA-N 1 2 226.270 2.592 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cnns1 ZINC000297421261 386253110 /nfs/dbraw/zinc/25/31/10/386253110.db2.gz HEPMRSTZEBNMKC-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnns1 ZINC000297421261 386253114 /nfs/dbraw/zinc/25/31/14/386253114.db2.gz HEPMRSTZEBNMKC-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO CCC[C@@H](C)[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000644859082 386290597 /nfs/dbraw/zinc/29/05/97/386290597.db2.gz JABRKOVNHRUKHV-SECBINFHSA-N 1 2 235.306 2.735 20 0 BFADLO COCC[C@H](C)SCc1c[nH+]ccc1OC ZINC000289382161 386292084 /nfs/dbraw/zinc/29/20/84/386292084.db2.gz KPNLGQDEPYVMQF-JTQLQIEISA-N 1 2 241.356 2.748 20 0 BFADLO Cc1ccc2[nH+]c(/C=C\c3ccncn3)cn2c1 ZINC000340590160 386294792 /nfs/dbraw/zinc/29/47/92/386294792.db2.gz AQINKNDWZLISHH-ARJAWSKDSA-N 1 2 236.278 2.603 20 0 BFADLO CSCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000336660541 386301219 /nfs/dbraw/zinc/30/12/19/386301219.db2.gz ARPCFCZHDOKVGP-UHFFFAOYSA-N 1 2 242.388 2.767 20 0 BFADLO CSCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC000336660541 386301225 /nfs/dbraw/zinc/30/12/25/386301225.db2.gz ARPCFCZHDOKVGP-UHFFFAOYSA-N 1 2 242.388 2.767 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ncc(C2CC2)o1 ZINC000335265354 386301206 /nfs/dbraw/zinc/30/12/06/386301206.db2.gz WOFHPOOZWDGKDI-RKDXNWHRSA-N 1 2 206.289 2.535 20 0 BFADLO Cc1nonc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000265076756 386302804 /nfs/dbraw/zinc/30/28/04/386302804.db2.gz YQFLGVJQFNLROO-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1nonc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000265076756 386302807 /nfs/dbraw/zinc/30/28/07/386302807.db2.gz YQFLGVJQFNLROO-GFCCVEGCSA-N 1 2 249.339 2.777 20 0 BFADLO CC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)c1cccs1 ZINC000339231403 386307584 /nfs/dbraw/zinc/30/75/84/386307584.db2.gz VJTWGZZCAAFCBR-VIFPVBQESA-N 1 2 249.339 2.661 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)C(F)(F)F)[C@@H]1CCOC1 ZINC000309711466 386311778 /nfs/dbraw/zinc/31/17/78/386311778.db2.gz QUMZIVTWJRXKCK-BBBLOLIVSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1cnns1 ZINC000336678805 386318864 /nfs/dbraw/zinc/31/88/64/386318864.db2.gz IJSLCLGWJWBGIK-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1cnns1 ZINC000336678805 386318867 /nfs/dbraw/zinc/31/88/67/386318867.db2.gz IJSLCLGWJWBGIK-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO CCC(=O)N1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000425521502 386323785 /nfs/dbraw/zinc/32/37/85/386323785.db2.gz SSZFPTFDNDFAOL-ZDUSSCGKSA-N 1 2 246.354 2.568 20 0 BFADLO CCC(=O)N1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000425521502 386323795 /nfs/dbraw/zinc/32/37/95/386323795.db2.gz SSZFPTFDNDFAOL-ZDUSSCGKSA-N 1 2 246.354 2.568 20 0 BFADLO FC(F)C[C@@H]1COCC[N@@H+]1Cc1ccsc1 ZINC000289254367 386277618 /nfs/dbraw/zinc/27/76/18/386277618.db2.gz FHXRDEVQGRWGGZ-SNVBAGLBSA-N 1 2 247.310 2.604 20 0 BFADLO FC(F)C[C@@H]1COCC[N@H+]1Cc1ccsc1 ZINC000289254367 386277623 /nfs/dbraw/zinc/27/76/23/386277623.db2.gz FHXRDEVQGRWGGZ-SNVBAGLBSA-N 1 2 247.310 2.604 20 0 BFADLO C[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)C(C)(C)C ZINC000297770734 386279538 /nfs/dbraw/zinc/27/95/38/386279538.db2.gz MVCXIXKZAKNAKE-SNVBAGLBSA-N 1 2 245.326 2.955 20 0 BFADLO CCN(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000265719706 386362404 /nfs/dbraw/zinc/36/24/04/386362404.db2.gz OELLDBLKOVULOZ-UHFFFAOYSA-N 1 2 246.314 2.516 20 0 BFADLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000289847330 386362625 /nfs/dbraw/zinc/36/26/25/386362625.db2.gz PUQMEYBQRFRPJQ-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000289847330 386362629 /nfs/dbraw/zinc/36/26/29/386362629.db2.gz PUQMEYBQRFRPJQ-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000289847334 386362885 /nfs/dbraw/zinc/36/28/85/386362885.db2.gz PUQMEYBQRFRPJQ-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000289847334 386362893 /nfs/dbraw/zinc/36/28/93/386362893.db2.gz PUQMEYBQRFRPJQ-NSHDSACASA-N 1 2 249.339 2.777 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)COC(C)C)c1 ZINC000336774698 386362843 /nfs/dbraw/zinc/36/28/43/386362843.db2.gz ZNXQZWQKSPRMQH-NSHDSACASA-N 1 2 208.305 2.615 20 0 BFADLO Cc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)no1 ZINC000347363759 386366361 /nfs/dbraw/zinc/36/63/61/386366361.db2.gz PXYRMLGWCRVPED-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO Clc1cccc2c1CC[N@H+](Cc1ccno1)C2 ZINC000265837709 386376545 /nfs/dbraw/zinc/37/65/45/386376545.db2.gz VYPZKEISJCALRW-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO Clc1cccc2c1CC[N@@H+](Cc1ccno1)C2 ZINC000265837709 386376550 /nfs/dbraw/zinc/37/65/50/386376550.db2.gz VYPZKEISJCALRW-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO Cc1csc(C[NH2+]Cc2ncc(C)s2)n1 ZINC000164841125 386331449 /nfs/dbraw/zinc/33/14/49/386331449.db2.gz XTQJKASNHPWVQX-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2cccc(C)c2C)o1 ZINC000298383242 386336468 /nfs/dbraw/zinc/33/64/68/386336468.db2.gz VPOMCEFMDJWYQC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2cccc(C)c2C)o1 ZINC000298383242 386336478 /nfs/dbraw/zinc/33/64/78/386336478.db2.gz VPOMCEFMDJWYQC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccnc(C[N@@H+](Cc2ccco2)C(C)C)n1 ZINC000336717619 386438913 /nfs/dbraw/zinc/43/89/13/386438913.db2.gz UDINQBMGATYCAO-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1ccnc(C[N@H+](Cc2ccco2)C(C)C)n1 ZINC000336717619 386438921 /nfs/dbraw/zinc/43/89/21/386438921.db2.gz UDINQBMGATYCAO-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000336720988 386452913 /nfs/dbraw/zinc/45/29/13/386452913.db2.gz YURKITDULGSKSG-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000336720988 386452920 /nfs/dbraw/zinc/45/29/20/386452920.db2.gz YURKITDULGSKSG-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO BrC1=CCC[N@H+](Cc2ccco2)C1 ZINC000282302129 386399681 /nfs/dbraw/zinc/39/96/81/386399681.db2.gz MKFPKYZSNLEZAQ-UHFFFAOYSA-N 1 2 242.116 2.764 20 0 BFADLO BrC1=CCC[N@@H+](Cc2ccco2)C1 ZINC000282302129 386399686 /nfs/dbraw/zinc/39/96/86/386399686.db2.gz MKFPKYZSNLEZAQ-UHFFFAOYSA-N 1 2 242.116 2.764 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2C)o1 ZINC000298987724 386401941 /nfs/dbraw/zinc/40/19/41/386401941.db2.gz KBFDZRWNMOSUEA-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2C)o1 ZINC000298987724 386401945 /nfs/dbraw/zinc/40/19/45/386401945.db2.gz KBFDZRWNMOSUEA-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CCCc1nc(C[N@H+](CC)CC(C)(C)C)no1 ZINC000336719681 386451610 /nfs/dbraw/zinc/45/16/10/386451610.db2.gz RQSFSBQVCGZYPP-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000645400038 386408488 /nfs/dbraw/zinc/40/84/88/386408488.db2.gz GJJWEQAMBSYENF-JHJVBQTASA-N 1 2 243.354 2.685 20 0 BFADLO CCCc1nc(C[N@@H+](CC)CC(C)(C)C)no1 ZINC000336719681 386451614 /nfs/dbraw/zinc/45/16/14/386451614.db2.gz RQSFSBQVCGZYPP-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CC[C@@H](CSc1[nH+]cc2ccccn21)OC ZINC000416896581 386410817 /nfs/dbraw/zinc/41/08/17/386410817.db2.gz WBSZQYJQCRIAJJ-NSHDSACASA-N 1 2 236.340 2.851 20 0 BFADLO CO[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000266249146 386416167 /nfs/dbraw/zinc/41/61/67/386416167.db2.gz MRDKDYJTWLRGCJ-NEPJUHHUSA-N 1 2 247.342 2.724 20 0 BFADLO FC1(F)CC(Nc2cc[nH+]c3ccncc23)C1 ZINC000277188232 386416531 /nfs/dbraw/zinc/41/65/31/386416531.db2.gz OJVRJFGLJRBAIP-UHFFFAOYSA-N 1 2 235.237 2.839 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000336708607 386417016 /nfs/dbraw/zinc/41/70/16/386417016.db2.gz VPSYCWMURYXBSX-JTQLQIEISA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000336708607 386417022 /nfs/dbraw/zinc/41/70/22/386417022.db2.gz VPSYCWMURYXBSX-JTQLQIEISA-N 1 2 223.320 2.567 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)CCCC(C)(C)C ZINC000347493723 386422826 /nfs/dbraw/zinc/42/28/26/386422826.db2.gz IDWLXSBQNFPHDQ-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO C[N@H+](Cc1noc(C(C)(C)C)n1)CC(C)(C)C ZINC000336713808 386428682 /nfs/dbraw/zinc/42/86/82/386428682.db2.gz QJOLUEYLUFVVOO-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)CC(C)(C)C ZINC000336713808 386428688 /nfs/dbraw/zinc/42/86/88/386428688.db2.gz QJOLUEYLUFVVOO-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000290426305 386433434 /nfs/dbraw/zinc/43/34/34/386433434.db2.gz MPZNNALHXCQLSW-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000290426305 386433442 /nfs/dbraw/zinc/43/34/42/386433442.db2.gz MPZNNALHXCQLSW-JTQLQIEISA-N 1 2 235.356 2.973 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000290426308 386433935 /nfs/dbraw/zinc/43/39/35/386433935.db2.gz MPZNNALHXCQLSW-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)c1cccs1 ZINC000290426308 386433941 /nfs/dbraw/zinc/43/39/41/386433941.db2.gz MPZNNALHXCQLSW-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO CCCO[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266405633 386434650 /nfs/dbraw/zinc/43/46/50/386434650.db2.gz PWUQZGXQHGEYET-ZDUSSCGKSA-N 1 2 249.358 2.571 20 0 BFADLO CN(CC(C)(C)C)c1cc(N2CCCC2)nc[nH+]1 ZINC000277449928 386436246 /nfs/dbraw/zinc/43/62/46/386436246.db2.gz NGAMCBKYDFZDRO-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CN(CC(C)(C)C)c1cc(N2CCCC2)[nH+]cn1 ZINC000277449928 386436254 /nfs/dbraw/zinc/43/62/54/386436254.db2.gz NGAMCBKYDFZDRO-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CC(C)[C@@H](NC(=O)CCC1CCC1)c1[nH]cc[nH+]1 ZINC000277794423 386468610 /nfs/dbraw/zinc/46/86/10/386468610.db2.gz XJCLZPHUYHBDEN-CYBMUJFWSA-N 1 2 249.358 2.803 20 0 BFADLO CC(C)[C@@H]([NH2+][C@@H]1CCCOCC1)C(F)(F)F ZINC000336731945 386469900 /nfs/dbraw/zinc/46/99/00/386469900.db2.gz FNCXJKLGVADTNI-NXEZZACHSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1noc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000266876610 386476140 /nfs/dbraw/zinc/47/61/40/386476140.db2.gz UCYUFSLPLSLNJL-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1noc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000266876610 386476149 /nfs/dbraw/zinc/47/61/49/386476149.db2.gz UCYUFSLPLSLNJL-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1noc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000266876606 386476967 /nfs/dbraw/zinc/47/69/67/386476967.db2.gz UCYUFSLPLSLNJL-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1noc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000266876606 386476970 /nfs/dbraw/zinc/47/69/70/386476970.db2.gz UCYUFSLPLSLNJL-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO COc1cc(C)[nH+]c(CSc2ncco2)c1 ZINC000277950958 386480715 /nfs/dbraw/zinc/48/07/15/386480715.db2.gz JPGIXXSUBQSEMJ-UHFFFAOYSA-N 1 2 236.296 2.679 20 0 BFADLO CCN(CCc1cccs1)c1cc[nH+]c(C)n1 ZINC000267055057 386488283 /nfs/dbraw/zinc/48/82/83/386488283.db2.gz FVYCODYZEIZSNV-UHFFFAOYSA-N 1 2 247.367 2.916 20 0 BFADLO Cc1cn2cc(NC(=O)[C@H](C)C3CC3)ccc2[nH+]1 ZINC000267055832 386492242 /nfs/dbraw/zinc/49/22/42/386492242.db2.gz KWYIHICGIPLDKO-SNVBAGLBSA-N 1 2 243.310 2.627 20 0 BFADLO CSCCCN(C)c1cc[nH+]c2ccncc21 ZINC000290982452 386494769 /nfs/dbraw/zinc/49/47/69/386494769.db2.gz RUPYDBHHKJZODL-UHFFFAOYSA-N 1 2 247.367 2.819 20 0 BFADLO CSCCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000290997644 386497252 /nfs/dbraw/zinc/49/72/52/386497252.db2.gz USOQJHFTCQKQKV-UHFFFAOYSA-N 1 2 235.356 2.752 20 0 BFADLO COCC[C@H](C)[NH2+][C@H](C(C)C)C(F)(F)F ZINC000336772119 386498180 /nfs/dbraw/zinc/49/81/80/386498180.db2.gz XJFLZVBTDYFPNX-DTWKUNHWSA-N 1 2 227.270 2.588 20 0 BFADLO COC[C@@H](C)CNc1c[nH+]c2c(c1)CCCC2 ZINC000525864416 386508135 /nfs/dbraw/zinc/50/81/35/386508135.db2.gz WRAYRNGVCGOEJW-NSHDSACASA-N 1 2 234.343 2.655 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCCC2(C)C)cc[nH+]1 ZINC000519623113 386509871 /nfs/dbraw/zinc/50/98/71/386509871.db2.gz DFFBCEHKPBXBBZ-ZDUSSCGKSA-N 1 2 246.354 2.967 20 0 BFADLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000278355131 386513686 /nfs/dbraw/zinc/51/36/86/386513686.db2.gz ZUSIVFDLVOOTIH-VIFPVBQESA-N 1 2 249.266 2.510 20 0 BFADLO C[NH2+]Cc1noc(C2(CC(C)C)CCCC2)n1 ZINC000094908508 386463836 /nfs/dbraw/zinc/46/38/36/386463836.db2.gz PMTKBQLKMCFUCQ-UHFFFAOYSA-N 1 2 237.347 2.647 20 0 BFADLO C/C=C(/CC)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000290663512 386465307 /nfs/dbraw/zinc/46/53/07/386465307.db2.gz GHOFAXDKHKRMLA-VQNWOSHQSA-N 1 2 235.331 2.579 20 0 BFADLO CC=C(CC)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000290663512 386465313 /nfs/dbraw/zinc/46/53/13/386465313.db2.gz GHOFAXDKHKRMLA-VQNWOSHQSA-N 1 2 235.331 2.579 20 0 BFADLO C/C=C(/CC)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000290663499 386465580 /nfs/dbraw/zinc/46/55/80/386465580.db2.gz GHOFAXDKHKRMLA-GULOHRGCSA-N 1 2 235.331 2.579 20 0 BFADLO CC=C(CC)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000290663499 386465586 /nfs/dbraw/zinc/46/55/86/386465586.db2.gz GHOFAXDKHKRMLA-GULOHRGCSA-N 1 2 235.331 2.579 20 0 BFADLO Cn1ccc(C[NH2+]C(C)(C)c2ccccc2F)n1 ZINC000291758244 386579871 /nfs/dbraw/zinc/57/98/71/386579871.db2.gz RAJZWMNNXUMCBB-UHFFFAOYSA-N 1 2 247.317 2.584 20 0 BFADLO CO[C@H](C)c1nc(CNc2cccc[nH+]2)cs1 ZINC000267803209 386587253 /nfs/dbraw/zinc/58/72/53/386587253.db2.gz QRLCBYQQWURJAD-SECBINFHSA-N 1 2 249.339 2.858 20 0 BFADLO CO[C@@H](C)c1nc(CNc2cccc[nH+]2)cs1 ZINC000267803210 386588050 /nfs/dbraw/zinc/58/80/50/386588050.db2.gz QRLCBYQQWURJAD-VIFPVBQESA-N 1 2 249.339 2.858 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)n(C)n1 ZINC000417716416 386591673 /nfs/dbraw/zinc/59/16/73/386591673.db2.gz UBXSPCWBIQHIMI-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)n(C)n1 ZINC000417716416 386591677 /nfs/dbraw/zinc/59/16/77/386591677.db2.gz UBXSPCWBIQHIMI-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cc(N[C@@H](c2cccnc2)C2CC2)nc[nH+]1 ZINC000519717464 386533853 /nfs/dbraw/zinc/53/38/53/386533853.db2.gz VGSLADHWKRSGMP-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO C[N@H+](Cc1ccon1)[C@@H]1CCc2ccc(F)cc21 ZINC000267395504 386536205 /nfs/dbraw/zinc/53/62/05/386536205.db2.gz YAEDZGWPSSFNSU-CQSZACIVSA-N 1 2 246.285 2.933 20 0 BFADLO C[N@@H+](Cc1ccon1)[C@@H]1CCc2ccc(F)cc21 ZINC000267395504 386536213 /nfs/dbraw/zinc/53/62/13/386536213.db2.gz YAEDZGWPSSFNSU-CQSZACIVSA-N 1 2 246.285 2.933 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1(C)CCC1 ZINC000267407655 386540666 /nfs/dbraw/zinc/54/06/66/386540666.db2.gz PQQGTIARHLZHCM-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO CC[C@H](C)[C@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336733419 386541223 /nfs/dbraw/zinc/54/12/23/386541223.db2.gz KANWRNGOYCFVJE-WCBMZHEXSA-N 1 2 242.750 2.862 20 0 BFADLO CC(C)(C)c1cc(C[NH+]2CCSCC2)no1 ZINC000278549156 386546283 /nfs/dbraw/zinc/54/62/83/386546283.db2.gz HEZNOVDRBXDQBZ-UHFFFAOYSA-N 1 2 240.372 2.521 20 0 BFADLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](F)C1 ZINC000335467319 386556354 /nfs/dbraw/zinc/55/63/54/386556354.db2.gz IVXXTMXGBXWPNP-SNVBAGLBSA-N 1 2 226.295 2.650 20 0 BFADLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](F)C1 ZINC000335467319 386556357 /nfs/dbraw/zinc/55/63/57/386556357.db2.gz IVXXTMXGBXWPNP-SNVBAGLBSA-N 1 2 226.295 2.650 20 0 BFADLO Cc1nc(C[N@H+](C2CC2)C2CCCCC2)no1 ZINC000051880811 386571461 /nfs/dbraw/zinc/57/14/61/386571461.db2.gz GVHCHPZRMLQWAF-UHFFFAOYSA-N 1 2 235.331 2.675 20 0 BFADLO Cc1nc(C[N@@H+](C2CC2)C2CCCCC2)no1 ZINC000051880811 386571466 /nfs/dbraw/zinc/57/14/66/386571466.db2.gz GVHCHPZRMLQWAF-UHFFFAOYSA-N 1 2 235.331 2.675 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccccc1C)C(=O)OCC ZINC000097988072 386573352 /nfs/dbraw/zinc/57/33/52/386573352.db2.gz WZQUAIZZKZJABN-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO C[C@@H]1CC[C@H](C)N1c1[nH+]c2ccccc2n1C ZINC000179219998 386619989 /nfs/dbraw/zinc/61/99/89/386619989.db2.gz NCRBKTXAPXMMET-PHIMTYICSA-N 1 2 229.327 2.951 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C1(CC(C)C)CCC1 ZINC000268163824 386625730 /nfs/dbraw/zinc/62/57/30/386625730.db2.gz YTMWHXMXHXKKGX-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1ccc(NC(=O)CCc2[nH]cc[nH+]2)c(C)c1 ZINC000279126155 386637647 /nfs/dbraw/zinc/63/76/47/386637647.db2.gz DKIBRPRHZGSJKD-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCS1 ZINC000335526530 386671605 /nfs/dbraw/zinc/67/16/05/386671605.db2.gz BQKMKSLIOQYYGG-SNVBAGLBSA-N 1 2 236.340 2.533 20 0 BFADLO Cc1oc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366517176 386672128 /nfs/dbraw/zinc/67/21/28/386672128.db2.gz GTPITUKLGINHEZ-DZGCQCFKSA-N 1 2 243.306 2.714 20 0 BFADLO Cc1oc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000366517176 386672133 /nfs/dbraw/zinc/67/21/33/386672133.db2.gz GTPITUKLGINHEZ-DZGCQCFKSA-N 1 2 243.306 2.714 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC=CC1 ZINC000335527594 386674026 /nfs/dbraw/zinc/67/40/26/386674026.db2.gz IXDIPSHHNNGZRB-UHFFFAOYSA-N 1 2 216.284 2.603 20 0 BFADLO CCC[C@H](C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000050506690 386674594 /nfs/dbraw/zinc/67/45/94/386674594.db2.gz FPSGWCPWUXLJKC-GXTWGEPZSA-N 1 2 249.354 2.927 20 0 BFADLO CC[C@@H]([NH2+]C[C@@H](C)c1cccc(C)c1)C(=O)OC ZINC000192851545 386680359 /nfs/dbraw/zinc/68/03/59/386680359.db2.gz KMUHXMBHUIYKTL-TZMCWYRMSA-N 1 2 249.354 2.640 20 0 BFADLO CS[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000294495225 386680439 /nfs/dbraw/zinc/68/04/39/386680439.db2.gz YXDMUQGDORIVLC-QMMMGPOBSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294495225 386680447 /nfs/dbraw/zinc/68/04/47/386680447.db2.gz YXDMUQGDORIVLC-QMMMGPOBSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cn[nH]n2)CC12CCCCC2 ZINC000450763703 386680880 /nfs/dbraw/zinc/68/08/80/386680880.db2.gz BTHCDROSEQWZDU-GFCCVEGCSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cn[nH]n2)CC12CCCCC2 ZINC000450763703 386680885 /nfs/dbraw/zinc/68/08/85/386680885.db2.gz BTHCDROSEQWZDU-GFCCVEGCSA-N 1 2 248.374 2.597 20 0 BFADLO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000066990506 386711494 /nfs/dbraw/zinc/71/14/94/386711494.db2.gz ALBPDTHBOYKBLK-ZDUSSCGKSA-N 1 2 247.729 2.840 20 0 BFADLO CCc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000268835414 386702454 /nfs/dbraw/zinc/70/24/54/386702454.db2.gz LOXPJVXDWAJYES-ZDUSSCGKSA-N 1 2 245.326 2.732 20 0 BFADLO CCc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000268835414 386702462 /nfs/dbraw/zinc/70/24/62/386702462.db2.gz LOXPJVXDWAJYES-ZDUSSCGKSA-N 1 2 245.326 2.732 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccco2)co1 ZINC000647960703 386730492 /nfs/dbraw/zinc/73/04/92/386730492.db2.gz DHYYNZUSGQBFON-SECBINFHSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccco2)co1 ZINC000647960703 386730496 /nfs/dbraw/zinc/73/04/96/386730496.db2.gz DHYYNZUSGQBFON-SECBINFHSA-N 1 2 220.272 2.769 20 0 BFADLO CCC[C@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357116097 386720614 /nfs/dbraw/zinc/72/06/14/386720614.db2.gz HLCCBBCEJLVNKQ-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1ncc(C2CC2)o1 ZINC000340695083 386726536 /nfs/dbraw/zinc/72/65/36/386726536.db2.gz IWLCCCCMZVDSIZ-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1ncc(C2CC2)o1 ZINC000340695083 386726545 /nfs/dbraw/zinc/72/65/45/386726545.db2.gz IWLCCCCMZVDSIZ-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000335539582 386748436 /nfs/dbraw/zinc/74/84/36/386748436.db2.gz QGSSOQLRCXQOMI-LBPRGKRZSA-N 1 2 247.342 2.505 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@H]2CF)cs1 ZINC000292908435 386749464 /nfs/dbraw/zinc/74/94/64/386749464.db2.gz AYFJYLXFANVZPL-SNVBAGLBSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@H]2CF)cs1 ZINC000292908435 386749469 /nfs/dbraw/zinc/74/94/69/386749469.db2.gz AYFJYLXFANVZPL-SNVBAGLBSA-N 1 2 228.336 2.639 20 0 BFADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348527056 386751631 /nfs/dbraw/zinc/75/16/31/386751631.db2.gz ZFSHFSZBWGGOKZ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000348527056 386751638 /nfs/dbraw/zinc/75/16/38/386751638.db2.gz ZFSHFSZBWGGOKZ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000293020817 386764542 /nfs/dbraw/zinc/76/45/42/386764542.db2.gz KMSQOCXUOGOZHP-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000293020817 386764548 /nfs/dbraw/zinc/76/45/48/386764548.db2.gz KMSQOCXUOGOZHP-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO CN(CCN(C)c1cccc[nH+]1)c1ccccc1 ZINC000301163183 386822446 /nfs/dbraw/zinc/82/24/46/386822446.db2.gz BBMVAGHSJNCLPV-UHFFFAOYSA-N 1 2 241.338 2.654 20 0 BFADLO CC(C)[C@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000357537140 386799827 /nfs/dbraw/zinc/79/98/27/386799827.db2.gz VAOOQIYBODEPED-CYBMUJFWSA-N 1 2 248.301 2.803 20 0 BFADLO C[C@@H](c1ccccc1F)N1CCn2c[nH+]cc2C1 ZINC000647939103 386804573 /nfs/dbraw/zinc/80/45/73/386804573.db2.gz AZOKXZUWQYJCPB-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO Cc1cc(NCCC2(F)CCC2)nc(C2CC2)[nH+]1 ZINC000340906602 386808554 /nfs/dbraw/zinc/80/85/54/386808554.db2.gz FHGXJLIQAYLRMS-UHFFFAOYSA-N 1 2 249.333 2.779 20 0 BFADLO CC[C@@H](C)CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000301238338 386825519 /nfs/dbraw/zinc/82/55/19/386825519.db2.gz IPNADONVQGKMDK-SNVBAGLBSA-N 1 2 219.332 2.836 20 0 BFADLO CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000293522545 386828996 /nfs/dbraw/zinc/82/89/96/386828996.db2.gz WHTPUPJRWTVSMG-DGCLKSJQSA-N 1 2 248.326 2.534 20 0 BFADLO CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000293522549 386830288 /nfs/dbraw/zinc/83/02/88/386830288.db2.gz WHTPUPJRWTVSMG-WCQYABFASA-N 1 2 248.326 2.534 20 0 BFADLO c1ccc(N(CC2CC2)CC2CC2)[nH+]c1 ZINC000301386522 386839251 /nfs/dbraw/zinc/83/92/51/386839251.db2.gz CSLMBCJCEGEZCW-UHFFFAOYSA-N 1 2 202.301 2.708 20 0 BFADLO c1n[nH]c([C@H]([NH2+]C2CCCC2)C2CCCCC2)n1 ZINC000330271011 386843637 /nfs/dbraw/zinc/84/36/37/386843637.db2.gz VFXBFVJXZFIXBU-CYBMUJFWSA-N 1 2 248.374 2.958 20 0 BFADLO CCO[C@H](CCNc1cc(C)[nH+]cn1)C(C)C ZINC000301430774 386843700 /nfs/dbraw/zinc/84/37/00/386843700.db2.gz JOCBPTNXSNPGCU-GFCCVEGCSA-N 1 2 237.347 2.648 20 0 BFADLO COC[C@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301404392 386843955 /nfs/dbraw/zinc/84/39/55/386843955.db2.gz FLCRWTCRSUMCDU-ZDUSSCGKSA-N 1 2 243.310 2.585 20 0 BFADLO CC[C@@H](C)CN(CC)c1cc(C)[nH+]cn1 ZINC000301503365 386850617 /nfs/dbraw/zinc/85/06/17/386850617.db2.gz YIIDGZCGIBQJSN-SNVBAGLBSA-N 1 2 207.321 2.657 20 0 BFADLO Cc1c[nH+]c(CNc2ccc3c(c2)CCC3)n1C ZINC000341129494 386852504 /nfs/dbraw/zinc/85/25/04/386852504.db2.gz YMCHYZUPRWGCSO-UHFFFAOYSA-N 1 2 241.338 2.829 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000341305172 386891403 /nfs/dbraw/zinc/89/14/03/386891403.db2.gz FWFBZKNVPABIEI-IINYFYTJSA-N 1 2 243.310 2.709 20 0 BFADLO CCC1(C)CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414938725 386854934 /nfs/dbraw/zinc/85/49/34/386854934.db2.gz XWDHXMDSMOKHKO-UHFFFAOYSA-N 1 2 234.334 2.529 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000293663508 386855750 /nfs/dbraw/zinc/85/57/50/386855750.db2.gz YVHMCXQRINRMDA-LBPRGKRZSA-N 1 2 248.370 2.734 20 0 BFADLO Cc1nc(C(C)C)ccc1C[N@H+]1CCOC[C@@H]1C ZINC000293663508 386855754 /nfs/dbraw/zinc/85/57/54/386855754.db2.gz YVHMCXQRINRMDA-LBPRGKRZSA-N 1 2 248.370 2.734 20 0 BFADLO COC(C)(C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301596473 386858146 /nfs/dbraw/zinc/85/81/46/386858146.db2.gz SHVGXTIVEMTFAM-UHFFFAOYSA-N 1 2 237.347 2.611 20 0 BFADLO CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293675778 386858364 /nfs/dbraw/zinc/85/83/64/386858364.db2.gz KATZSGOHKZPLJH-QWHCGFSZSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cccn2c(CN3CCC=C(F)C3)c[nH+]c12 ZINC000335742267 386858784 /nfs/dbraw/zinc/85/87/84/386858784.db2.gz LXFJKAJLOQRWOJ-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO CC(C)=CCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000357868838 386858917 /nfs/dbraw/zinc/85/89/17/386858917.db2.gz WMHVSCUZVZQJRT-UHFFFAOYSA-N 1 2 230.315 2.986 20 0 BFADLO Cc1c[nH+]c(CNc2cc(C)ccc2C)n1C ZINC000341293615 386864057 /nfs/dbraw/zinc/86/40/57/386864057.db2.gz WQHUEJBZPKWPDN-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO Cc1cc(N[C@@H]2CCCC[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000052006725 386873099 /nfs/dbraw/zinc/87/30/99/386873099.db2.gz VYWKTZAMPGOYJW-NEPJUHHUSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@](O)(CNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000301837187 386881450 /nfs/dbraw/zinc/88/14/50/386881450.db2.gz MLTNGJMRLPAXDZ-AWEZNQCLSA-N 1 2 246.285 2.540 20 0 BFADLO C[C@@H](CC1CCCC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000358042211 386884310 /nfs/dbraw/zinc/88/43/10/386884310.db2.gz YQXQIYRHQFIPKH-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO CCCCN(CC)c1nc(N)c2ccccc2[nH+]1 ZINC000301858871 386886172 /nfs/dbraw/zinc/88/61/72/386886172.db2.gz DWSXRFFZVJKCGP-UHFFFAOYSA-N 1 2 244.342 2.838 20 0 BFADLO C/C(=C/c1ccccc1)C[NH2+]Cc1cn[nH]c1C ZINC000340443724 386890579 /nfs/dbraw/zinc/89/05/79/386890579.db2.gz XRQMOOHOQJWFSU-WQLSENKSSA-N 1 2 241.338 2.911 20 0 BFADLO CC[C@@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302081656 386901503 /nfs/dbraw/zinc/90/15/03/386901503.db2.gz JINXZJIKHUYWBR-SNVBAGLBSA-N 1 2 233.359 2.899 20 0 BFADLO C[C@H]([NH2+]CCF)c1nc(C2CCCCC2)no1 ZINC000330882438 386908954 /nfs/dbraw/zinc/90/89/54/386908954.db2.gz ZWMBHTQMZOVLBF-VIFPVBQESA-N 1 2 241.310 2.737 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)CCC2CCC2)c2[nH+]ccn21 ZINC000456399363 386911661 /nfs/dbraw/zinc/91/16/61/386911661.db2.gz CUOGLGSKZQYIBW-PWSUYJOCSA-N 1 2 247.342 2.585 20 0 BFADLO c1cc2cc(C[N@@H+]3CCOCC34CC4)ccc2o1 ZINC000335769735 386913281 /nfs/dbraw/zinc/91/32/81/386913281.db2.gz MIVPLDJJOKIYAF-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO c1cc2cc(C[N@H+]3CCOCC34CC4)ccc2o1 ZINC000335769735 386913283 /nfs/dbraw/zinc/91/32/83/386913283.db2.gz MIVPLDJJOKIYAF-UHFFFAOYSA-N 1 2 243.306 2.798 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2cnccc2C)n1 ZINC000353661478 386913490 /nfs/dbraw/zinc/91/34/90/386913490.db2.gz OYFVVFFRINIBKF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2cnccc2C)n1 ZINC000353661478 386913496 /nfs/dbraw/zinc/91/34/96/386913496.db2.gz OYFVVFFRINIBKF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CC(C)c1nc(N[C@H]2CCC[C@@H]2CCO)cc[nH+]1 ZINC000302448931 386922278 /nfs/dbraw/zinc/92/22/78/386922278.db2.gz OSKVYNJRRAVZGI-NEPJUHHUSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1nc(N2C[C@H]3CCCC[C@H]32)c(C)c(C)[nH+]1 ZINC000368184773 386947759 /nfs/dbraw/zinc/94/77/59/386947759.db2.gz NUQQXTYTTGCDNC-CHWSQXEVSA-N 1 2 231.343 2.781 20 0 BFADLO CC(C)c1nc(N(C)[C@H]2CC2(C)C)cc[nH+]1 ZINC000302845804 386938142 /nfs/dbraw/zinc/93/81/42/386938142.db2.gz GIRKUQRMLPTMBV-JTQLQIEISA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)[C@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302879541 386943567 /nfs/dbraw/zinc/94/35/67/386943567.db2.gz HAAWKTRXRSERET-GFCCVEGCSA-N 1 2 248.374 2.781 20 0 BFADLO CC(C)[C@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302879541 386943572 /nfs/dbraw/zinc/94/35/72/386943572.db2.gz HAAWKTRXRSERET-GFCCVEGCSA-N 1 2 248.374 2.781 20 0 BFADLO CCC(CC)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000341697281 386953536 /nfs/dbraw/zinc/95/35/36/386953536.db2.gz HJTIUDUQMVXQGH-NSHDSACASA-N 1 2 234.343 2.823 20 0 BFADLO FC(F)C[N@H+](CCOCC1CC1)CC1CCC1 ZINC000341765410 386963132 /nfs/dbraw/zinc/96/31/32/386963132.db2.gz VGCGDNMZZMKPDR-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO FC(F)C[N@@H+](CCOCC1CC1)CC1CCC1 ZINC000341765410 386963136 /nfs/dbraw/zinc/96/31/36/386963136.db2.gz VGCGDNMZZMKPDR-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000334891884 386965168 /nfs/dbraw/zinc/96/51/68/386965168.db2.gz ZMQAUSNRVSEQBD-DGCLKSJQSA-N 1 2 234.343 2.925 20 0 BFADLO CC[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000331290356 387007889 /nfs/dbraw/zinc/00/78/89/387007889.db2.gz WEARWHVPIQPECA-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO COC1(CC(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000332482641 386984624 /nfs/dbraw/zinc/98/46/24/386984624.db2.gz QMDGVXFBOIESKT-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO CC(C)c1nc(C[NH+]2CCC3(CCC3)CC2)no1 ZINC000368612321 386994187 /nfs/dbraw/zinc/99/41/87/386994187.db2.gz GOIOROVOYRBGLE-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)COC1CCCC1 ZINC000331246356 386999133 /nfs/dbraw/zinc/99/91/33/386999133.db2.gz UIFNNGACUDVAAQ-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO CO[C@@H]1CCC[C@H](Nc2c[nH+]cc(N(C)C)c2)C1 ZINC000639363663 387043916 /nfs/dbraw/zinc/04/39/16/387043916.db2.gz DLNATZMQOIELGX-SMDDNHRTSA-N 1 2 249.358 2.517 20 0 BFADLO CC[N@H+](Cc1cnns1)Cc1ccc(C)cc1 ZINC000519310579 387054724 /nfs/dbraw/zinc/05/47/24/387054724.db2.gz YZOZMABJIDMPNW-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cnns1)Cc1ccc(C)cc1 ZINC000519310579 387054726 /nfs/dbraw/zinc/05/47/26/387054726.db2.gz YZOZMABJIDMPNW-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1cc[nH+]cc1Cn1ccc(C(F)(F)F)n1 ZINC000334970100 387054751 /nfs/dbraw/zinc/05/47/51/387054751.db2.gz SOXKLVGTCDYNNG-UHFFFAOYSA-N 1 2 241.216 2.654 20 0 BFADLO Cn1c[nH+]cc1COc1cnc2ccccc2c1 ZINC000228036116 387062194 /nfs/dbraw/zinc/06/21/94/387062194.db2.gz OINCWPWDPSDONE-UHFFFAOYSA-N 1 2 239.278 2.547 20 0 BFADLO Fc1cccc(C[N@H+]2CC[C@@H](F)C2)c1F ZINC000336223266 387063491 /nfs/dbraw/zinc/06/34/91/387063491.db2.gz PNFGCLITDITXLV-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO Fc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1F ZINC000336223266 387063494 /nfs/dbraw/zinc/06/34/94/387063494.db2.gz PNFGCLITDITXLV-SECBINFHSA-N 1 2 215.218 2.509 20 0 BFADLO F[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000336223073 387063957 /nfs/dbraw/zinc/06/39/57/387063957.db2.gz AGIQHQSMOXLSED-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000336223073 387063961 /nfs/dbraw/zinc/06/39/61/387063961.db2.gz AGIQHQSMOXLSED-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO Cc1nn(C)c(OCc2ccc(C)[nH+]c2C)c1C ZINC000334934521 387011026 /nfs/dbraw/zinc/01/10/26/387011026.db2.gz QWRTVRNCHCKVFP-UHFFFAOYSA-N 1 2 245.326 2.628 20 0 BFADLO CCn1c[nH+]cc1CN1Cc2cccc(F)c2C1 ZINC000334937452 387014759 /nfs/dbraw/zinc/01/47/59/387014759.db2.gz MBQVMMQGOOPJLE-UHFFFAOYSA-N 1 2 245.301 2.558 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC000334939981 387017636 /nfs/dbraw/zinc/01/76/36/387017636.db2.gz YRCCSNCJFIWNCH-GZMMTYOYSA-N 1 2 233.315 2.618 20 0 BFADLO Cc1occc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000334883070 387025380 /nfs/dbraw/zinc/02/53/80/387025380.db2.gz ORFRCTJTFKUMMK-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1occc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000334883070 387025381 /nfs/dbraw/zinc/02/53/81/387025381.db2.gz ORFRCTJTFKUMMK-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccon2)C1 ZINC000334980645 387068692 /nfs/dbraw/zinc/06/86/92/387068692.db2.gz HLUVVJJZQAAFEX-RISCZKNCSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccon2)C1 ZINC000334980645 387068693 /nfs/dbraw/zinc/06/86/93/387068693.db2.gz HLUVVJJZQAAFEX-RISCZKNCSA-N 1 2 243.310 2.653 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C)C2)nn1C ZINC000334986656 387073801 /nfs/dbraw/zinc/07/38/01/387073801.db2.gz SMCYWMNWNVAVOR-SECBINFHSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C)C2)nn1C ZINC000334986656 387073803 /nfs/dbraw/zinc/07/38/03/387073803.db2.gz SMCYWMNWNVAVOR-SECBINFHSA-N 1 2 241.766 2.614 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cc(O)cc(F)c1 ZINC000186161825 387074265 /nfs/dbraw/zinc/07/42/65/387074265.db2.gz IDQABTDMYSBPEY-UHFFFAOYSA-N 1 2 235.258 2.756 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cc(O)cc(F)c1 ZINC000186161825 387074267 /nfs/dbraw/zinc/07/42/67/387074267.db2.gz IDQABTDMYSBPEY-UHFFFAOYSA-N 1 2 235.258 2.756 20 0 BFADLO F[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000336259597 387089196 /nfs/dbraw/zinc/08/91/96/387089196.db2.gz NIQQNEJHYIZVKS-VIFPVBQESA-N 1 2 236.315 2.840 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000336259597 387089199 /nfs/dbraw/zinc/08/91/99/387089199.db2.gz NIQQNEJHYIZVKS-VIFPVBQESA-N 1 2 236.315 2.840 20 0 BFADLO CCCn1cc(CNc2c[nH+]ccc2C)cn1 ZINC000119030477 387090129 /nfs/dbraw/zinc/09/01/29/387090129.db2.gz MYZNWWPODVYKJG-UHFFFAOYSA-N 1 2 230.315 2.609 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119036016 387093476 /nfs/dbraw/zinc/09/34/76/387093476.db2.gz NUHHWQBWRWMGPF-RISCZKNCSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cncc(F)c2)oc1C ZINC000228578346 387093979 /nfs/dbraw/zinc/09/39/79/387093979.db2.gz ASIAMPAHXBVJNX-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccccn2)o1 ZINC000228577370 387094230 /nfs/dbraw/zinc/09/42/30/387094230.db2.gz BBOIPWQSBCVOTR-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc(OC[C@H]2C[C@@H](O)C2)c2ccccc2[nH+]1 ZINC000335005002 387098658 /nfs/dbraw/zinc/09/86/58/387098658.db2.gz MGGXPJWCGXHHLK-TXEJJXNPSA-N 1 2 243.306 2.693 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)o1 ZINC000228568694 387101488 /nfs/dbraw/zinc/10/14/88/387101488.db2.gz JBXZPVZJODNCAE-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO CN(CCC(F)(F)F)c1cc[nH+]c(C2CC2)n1 ZINC000112965342 387113423 /nfs/dbraw/zinc/11/34/23/387113423.db2.gz UGRFPWYEEJWMBU-UHFFFAOYSA-N 1 2 245.248 2.743 20 0 BFADLO FCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000352370725 387115008 /nfs/dbraw/zinc/11/50/08/387115008.db2.gz CULMBEOHLUXZNO-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO FCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000352370725 387115014 /nfs/dbraw/zinc/11/50/14/387115014.db2.gz CULMBEOHLUXZNO-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO C[C@@H](F)CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000352372759 387117175 /nfs/dbraw/zinc/11/71/75/387117175.db2.gz WUOVHQPBRQDBCU-RKDXNWHRSA-N 1 2 209.255 2.854 20 0 BFADLO C[C@@H](F)CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000352372759 387117184 /nfs/dbraw/zinc/11/71/84/387117184.db2.gz WUOVHQPBRQDBCU-RKDXNWHRSA-N 1 2 209.255 2.854 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cncs1)C2 ZINC000336226944 387068205 /nfs/dbraw/zinc/06/82/05/387068205.db2.gz PCXOSUHZKSIUEV-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cncs1)C2 ZINC000336226944 387068207 /nfs/dbraw/zinc/06/82/07/387068207.db2.gz PCXOSUHZKSIUEV-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000353186069 387146028 /nfs/dbraw/zinc/14/60/28/387146028.db2.gz UZBKCQIIUMCXGY-GFCCVEGCSA-N 1 2 225.282 2.959 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000353186069 387146036 /nfs/dbraw/zinc/14/60/36/387146036.db2.gz UZBKCQIIUMCXGY-GFCCVEGCSA-N 1 2 225.282 2.959 20 0 BFADLO Cc1ccc(C(C)(C)[NH2+]Cc2cscn2)cn1 ZINC000353176030 387149571 /nfs/dbraw/zinc/14/95/71/387149571.db2.gz XJTQKABZWBHPLM-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO Cc1cccc(C[NH2+]Cc2nn(C)cc2Cl)c1 ZINC000393326014 387159916 /nfs/dbraw/zinc/15/99/16/387159916.db2.gz LVOASUIPGGJJPZ-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO F[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000571794150 387171886 /nfs/dbraw/zinc/17/18/86/387171886.db2.gz KMBFDNUTNCIMCH-MNOVXSKESA-N 1 2 245.301 2.744 20 0 BFADLO F[C@H]1CCC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000571794151 387172232 /nfs/dbraw/zinc/17/22/32/387172232.db2.gz KMBFDNUTNCIMCH-QWRGUYRKSA-N 1 2 245.301 2.744 20 0 BFADLO CCCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187222478 387173989 /nfs/dbraw/zinc/17/39/89/387173989.db2.gz GEIGHJSZZYGAFO-HNNXBMFYSA-N 1 2 225.357 2.747 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C(F)(F)F ZINC000648539943 387174399 /nfs/dbraw/zinc/17/43/99/387174399.db2.gz NKUDWBARYXJPNV-UTLUCORTSA-N 1 2 239.281 2.875 20 0 BFADLO CCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187307751 387181495 /nfs/dbraw/zinc/18/14/95/387181495.db2.gz SDKRZFISFJNLHV-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187307751 387181501 /nfs/dbraw/zinc/18/15/01/387181501.db2.gz SDKRZFISFJNLHV-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187307729 387182252 /nfs/dbraw/zinc/18/22/52/387182252.db2.gz SDKRZFISFJNLHV-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187307729 387182256 /nfs/dbraw/zinc/18/22/56/387182256.db2.gz SDKRZFISFJNLHV-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO CC(C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187242214 387185322 /nfs/dbraw/zinc/18/53/22/387185322.db2.gz WIRUXBWCLUXNMW-CYBMUJFWSA-N 1 2 241.281 2.747 20 0 BFADLO CC(C)[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000187242214 387185327 /nfs/dbraw/zinc/18/53/27/387185327.db2.gz WIRUXBWCLUXNMW-CYBMUJFWSA-N 1 2 241.281 2.747 20 0 BFADLO CCc1cc(N)nc(SCCCCCF)[nH+]1 ZINC000284371395 387188008 /nfs/dbraw/zinc/18/80/08/387188008.db2.gz XMTTWEGNQDQYAR-UHFFFAOYSA-N 1 2 243.351 2.853 20 0 BFADLO CCCCc1nc(C[N@H+](C)CCC(C)C)no1 ZINC000053611572 387310091 /nfs/dbraw/zinc/31/00/91/387310091.db2.gz XWXWPIWSCIHDAO-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CCC(C)C)no1 ZINC000053611572 387310098 /nfs/dbraw/zinc/31/00/98/387310098.db2.gz XWXWPIWSCIHDAO-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO Cc1ccnc([C@H](C)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000353685411 387258956 /nfs/dbraw/zinc/25/89/56/387258956.db2.gz VMJDCWDPQCSPQI-IHRRRGAJSA-N 1 2 247.386 2.523 20 0 BFADLO Cc1ccnc([C@H](C)N[C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000353685411 387258959 /nfs/dbraw/zinc/25/89/59/387258959.db2.gz VMJDCWDPQCSPQI-IHRRRGAJSA-N 1 2 247.386 2.523 20 0 BFADLO C[N@H+](Cc1c(F)cccc1F)[C@H]1CCCOC1 ZINC000336440500 387270174 /nfs/dbraw/zinc/27/01/74/387270174.db2.gz GWCRXFAVQJFBFG-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1F)[C@H]1CCCOC1 ZINC000336440500 387270178 /nfs/dbraw/zinc/27/01/78/387270178.db2.gz GWCRXFAVQJFBFG-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[N@H+](Cc1c(F)cccc1F)[C@@H]1CCCOC1 ZINC000336440501 387270213 /nfs/dbraw/zinc/27/02/13/387270213.db2.gz GWCRXFAVQJFBFG-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1F)[C@@H]1CCCOC1 ZINC000336440501 387270218 /nfs/dbraw/zinc/27/02/18/387270218.db2.gz GWCRXFAVQJFBFG-SNVBAGLBSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1C[C@H]1CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000353776042 387272115 /nfs/dbraw/zinc/27/21/15/387272115.db2.gz UYPSPSZPWYFTKT-WOPDTQHZSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccon2)cc1F ZINC000353811742 387279649 /nfs/dbraw/zinc/27/96/49/387279649.db2.gz FTSNKOIILHWKBN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccon2)cc1F ZINC000353811742 387279653 /nfs/dbraw/zinc/27/96/53/387279653.db2.gz FTSNKOIILHWKBN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[N@H+](C/C=C\c1ccc(F)cc1)Cc1ccon1 ZINC000353821360 387280329 /nfs/dbraw/zinc/28/03/29/387280329.db2.gz KPICBXQQTUMJPR-IHWYPQMZSA-N 1 2 246.285 2.959 20 0 BFADLO C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ccon1 ZINC000353821360 387280333 /nfs/dbraw/zinc/28/03/33/387280333.db2.gz KPICBXQQTUMJPR-IHWYPQMZSA-N 1 2 246.285 2.959 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000336462950 387292721 /nfs/dbraw/zinc/29/27/21/387292721.db2.gz UHPRVXVOOUCAID-WPRPVWTQSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc[nH]n1 ZINC000336462950 387292727 /nfs/dbraw/zinc/29/27/27/387292727.db2.gz UHPRVXVOOUCAID-WPRPVWTQSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000353971609 387304753 /nfs/dbraw/zinc/30/47/53/387304753.db2.gz LEJPKTVJZINWTE-OAHLLOKOSA-N 1 2 241.338 2.535 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1 ZINC000514922123 387308886 /nfs/dbraw/zinc/30/88/86/387308886.db2.gz FHTGUSGMCKGNNE-QJPTWQEYSA-N 1 2 249.358 2.863 20 0 BFADLO CO[C@@H](C)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000354329904 387361551 /nfs/dbraw/zinc/36/15/51/387361551.db2.gz UAWUKUQQCXNFMF-JTQLQIEISA-N 1 2 248.301 2.633 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000354354011 387363881 /nfs/dbraw/zinc/36/38/81/387363881.db2.gz RFSYOGQYWIFMGE-QWRGUYRKSA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360943814 387370504 /nfs/dbraw/zinc/37/05/04/387370504.db2.gz JTALQQNWLYVSFY-VXGBXAGGSA-N 1 2 249.358 2.755 20 0 BFADLO Clc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000336514001 387337745 /nfs/dbraw/zinc/33/77/45/387337745.db2.gz OVFKEGWKUCKANW-DTORHVGOSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000336514001 387337750 /nfs/dbraw/zinc/33/77/50/387337750.db2.gz OVFKEGWKUCKANW-DTORHVGOSA-N 1 2 243.759 2.765 20 0 BFADLO CC(C)([NH2+]Cc1cc2cccnc2o1)C(F)F ZINC000648563034 387342202 /nfs/dbraw/zinc/34/22/02/387342202.db2.gz IPGYWLDBUWONNG-UHFFFAOYSA-N 1 2 240.253 2.961 20 0 BFADLO c1c2ccccc2[nH]c1C[N@H+](C1CC1)C1COC1 ZINC000648606661 387383791 /nfs/dbraw/zinc/38/37/91/387383791.db2.gz XQUHDTIIDJYGGE-UHFFFAOYSA-N 1 2 242.322 2.531 20 0 BFADLO c1c2ccccc2[nH]c1C[N@@H+](C1CC1)C1COC1 ZINC000648606661 387383796 /nfs/dbraw/zinc/38/37/96/387383796.db2.gz XQUHDTIIDJYGGE-UHFFFAOYSA-N 1 2 242.322 2.531 20 0 BFADLO CC1(C)[C@H](Nc2cccc[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC000374140728 387427218 /nfs/dbraw/zinc/42/72/18/387427218.db2.gz BZRSXPDZCWBFNB-UHTWSYAYSA-N 1 2 232.327 2.697 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+](CC(F)F)C1CC1 ZINC000361259771 387427723 /nfs/dbraw/zinc/42/77/23/387427723.db2.gz NFFVGBJWDGBTKD-LLVKDONJSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+](CC(F)F)C1CC1 ZINC000361259771 387427727 /nfs/dbraw/zinc/42/77/27/387427727.db2.gz NFFVGBJWDGBTKD-LLVKDONJSA-N 1 2 235.318 2.513 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cnccc2C)s1 ZINC000361427057 387461571 /nfs/dbraw/zinc/46/15/71/387461571.db2.gz UVRRZGSDRAWDHQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cnccc2C)s1 ZINC000361427057 387461575 /nfs/dbraw/zinc/46/15/75/387461575.db2.gz UVRRZGSDRAWDHQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000361332425 387442149 /nfs/dbraw/zinc/44/21/49/387442149.db2.gz SECXDZMSCGZQGI-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000361332425 387442151 /nfs/dbraw/zinc/44/21/51/387442151.db2.gz SECXDZMSCGZQGI-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[C@H](Cc1ccsc1)[NH+]1CC(OC(F)F)C1 ZINC000516006186 387447811 /nfs/dbraw/zinc/44/78/11/387447811.db2.gz IXOURDCQKBVHOK-MRVPVSSYSA-N 1 2 247.310 2.603 20 0 BFADLO Cn1c[nH+]cc1COc1cc(F)ccc1Cl ZINC000304220677 387449963 /nfs/dbraw/zinc/44/99/63/387449963.db2.gz HNIFNRJSPANKRH-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccon1 ZINC000336560477 387386338 /nfs/dbraw/zinc/38/63/38/387386338.db2.gz OHUHPCYESVDJAD-JTQLQIEISA-N 1 2 214.268 2.751 20 0 BFADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccon1 ZINC000336560477 387386342 /nfs/dbraw/zinc/38/63/42/387386342.db2.gz OHUHPCYESVDJAD-JTQLQIEISA-N 1 2 214.268 2.751 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccon1 ZINC000336560478 387387062 /nfs/dbraw/zinc/38/70/62/387387062.db2.gz OHUHPCYESVDJAD-SNVBAGLBSA-N 1 2 214.268 2.751 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccon1 ZINC000336560478 387387064 /nfs/dbraw/zinc/38/70/64/387387064.db2.gz OHUHPCYESVDJAD-SNVBAGLBSA-N 1 2 214.268 2.751 20 0 BFADLO CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361062867 387395441 /nfs/dbraw/zinc/39/54/41/387395441.db2.gz NTSVLHFMOHEWQE-MFKMUULPSA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361062867 387395448 /nfs/dbraw/zinc/39/54/48/387395448.db2.gz NTSVLHFMOHEWQE-MFKMUULPSA-N 1 2 233.311 2.515 20 0 BFADLO Cc1ccc(CCCN2CCC(F)(F)C2)c[nH+]1 ZINC000354566770 387396538 /nfs/dbraw/zinc/39/65/38/387396538.db2.gz IKMLDIWNEBWZEI-UHFFFAOYSA-N 1 2 240.297 2.664 20 0 BFADLO Fc1ccc2cc[nH+]c(NC[C@H]3CCOC3)c2c1 ZINC000354574163 387397846 /nfs/dbraw/zinc/39/78/46/387397846.db2.gz UTIZJRJTMNJSAU-SNVBAGLBSA-N 1 2 246.285 2.822 20 0 BFADLO Cc1nc(N2CCC[C@H]2c2cccnc2)cc[nH+]1 ZINC000361151965 387406603 /nfs/dbraw/zinc/40/66/03/387406603.db2.gz WUHNQJNPKLBBNJ-ZDUSSCGKSA-N 1 2 240.310 2.522 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000361193882 387413863 /nfs/dbraw/zinc/41/38/63/387413863.db2.gz LKFJQQUNZMCEOH-KXXVWKPMSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000361193882 387413870 /nfs/dbraw/zinc/41/38/70/387413870.db2.gz LKFJQQUNZMCEOH-KXXVWKPMSA-N 1 2 247.338 2.583 20 0 BFADLO CCCc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)cc1 ZINC000361195362 387414343 /nfs/dbraw/zinc/41/43/43/387414343.db2.gz ZVSFNAVSFYFQRZ-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)cc1 ZINC000361195362 387414345 /nfs/dbraw/zinc/41/43/45/387414345.db2.gz ZVSFNAVSFYFQRZ-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000192502333 387418290 /nfs/dbraw/zinc/41/82/90/387418290.db2.gz SSBNOWRFLXKEAG-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CC[N@H+](CC(F)F)CC1(OC)CCCCC1 ZINC000361592925 387504908 /nfs/dbraw/zinc/50/49/08/387504908.db2.gz FXWUDOGHWYDNMO-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CC[N@@H+](CC(F)F)CC1(OC)CCCCC1 ZINC000361592925 387504914 /nfs/dbraw/zinc/50/49/14/387504914.db2.gz FXWUDOGHWYDNMO-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cc(F)ccc2C)n1 ZINC000361601167 387506949 /nfs/dbraw/zinc/50/69/49/387506949.db2.gz FFDPTEWEJPKMIZ-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CSCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301524964 387521962 /nfs/dbraw/zinc/52/19/62/387521962.db2.gz MSZVOROXYHRRNX-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO Cn1c[nH+]cc1COc1cccc(C2CC2)c1 ZINC000424101054 387526575 /nfs/dbraw/zinc/52/65/75/387526575.db2.gz MDNSXSBWQAPXLD-UHFFFAOYSA-N 1 2 228.295 2.877 20 0 BFADLO CCc1ccc(NCc2[nH+]ccn2C)cc1F ZINC000355400091 387531461 /nfs/dbraw/zinc/53/14/61/387531461.db2.gz MOYHSUAIEZOWFC-UHFFFAOYSA-N 1 2 233.290 2.734 20 0 BFADLO CC(C)c1nc(N[C@H](C)CC(F)(F)F)cc[nH+]1 ZINC000361755316 387532252 /nfs/dbraw/zinc/53/22/52/387532252.db2.gz HQYDNYWHCUATBS-MRVPVSSYSA-N 1 2 247.264 2.775 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccc2cc[nH]c21 ZINC000361798533 387535414 /nfs/dbraw/zinc/53/54/14/387535414.db2.gz MGUPJTCFOCFQON-UHFFFAOYSA-N 1 2 241.269 2.736 20 0 BFADLO CC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C(=O)OC ZINC000192841775 387540675 /nfs/dbraw/zinc/54/06/75/387540675.db2.gz NKHOUNYGUHIGEU-AWEZNQCLSA-N 1 2 249.354 2.653 20 0 BFADLO CCOc1nnc(C[NH+](C(C)C)C(C)C)s1 ZINC000352770086 387469384 /nfs/dbraw/zinc/46/93/84/387469384.db2.gz QIVVYTSATMVSOB-UHFFFAOYSA-N 1 2 243.376 2.556 20 0 BFADLO CCCCc1nc(C[NH+]2C3CCC2CC3)no1 ZINC000516197419 387477307 /nfs/dbraw/zinc/47/73/07/387477307.db2.gz OTUMLLUBSHBFPW-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO CCCN(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422212452 387580949 /nfs/dbraw/zinc/58/09/49/387580949.db2.gz QXMXGOXURODKPC-UHFFFAOYSA-N 1 2 249.358 2.640 20 0 BFADLO c1cc(C[NH2+][C@@H]2CCCCc3ccccc32)[nH]n1 ZINC000041014056 387589157 /nfs/dbraw/zinc/58/91/57/387589157.db2.gz SJTQVCUZECQUIQ-OAHLLOKOSA-N 1 2 241.338 2.967 20 0 BFADLO CC1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000123612056 387589186 /nfs/dbraw/zinc/58/91/86/387589186.db2.gz LONWMZGAPDDNPW-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO Cc1nc(C[NH2+]CC2(F)CC2)nc2ccccc12 ZINC000527520099 387593159 /nfs/dbraw/zinc/59/31/59/387593159.db2.gz RQLGKNNTIHNWEP-UHFFFAOYSA-N 1 2 245.301 2.530 20 0 BFADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)cc1 ZINC000124097712 387606424 /nfs/dbraw/zinc/60/64/24/387606424.db2.gz VGJRSKRZOXKUQJ-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)cc1 ZINC000124097712 387606429 /nfs/dbraw/zinc/60/64/29/387606429.db2.gz VGJRSKRZOXKUQJ-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO CCCCc1nc(C[N@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000430286860 387608752 /nfs/dbraw/zinc/60/87/52/387608752.db2.gz VOGDJHJONBGALW-NSHDSACASA-N 1 2 249.358 2.810 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC(C)=C[C@H](C)C2)no1 ZINC000430286860 387608756 /nfs/dbraw/zinc/60/87/56/387608756.db2.gz VOGDJHJONBGALW-NSHDSACASA-N 1 2 249.358 2.810 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1C ZINC000361862286 387546150 /nfs/dbraw/zinc/54/61/50/387546150.db2.gz MJGPIWCRDCZMMF-CYBMUJFWSA-N 1 2 241.338 2.944 20 0 BFADLO CCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000426362319 387560110 /nfs/dbraw/zinc/56/01/10/387560110.db2.gz QUBUYZZHLDNHLB-UHFFFAOYSA-N 1 2 231.343 2.686 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(C2CC2)C1 ZINC000643490017 387568675 /nfs/dbraw/zinc/56/86/75/387568675.db2.gz FRLPGANYIXMKHX-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@@]12CCCC(C)(C)C2 ZINC000362883406 387668117 /nfs/dbraw/zinc/66/81/17/387668117.db2.gz RCEIULBHSLCRKC-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@@]12CCCC(C)(C)C2 ZINC000362883406 387668119 /nfs/dbraw/zinc/66/81/19/387668119.db2.gz RCEIULBHSLCRKC-AWEZNQCLSA-N 1 2 238.375 2.515 20 0 BFADLO CN(CC1CC1)c1[nH+]c2ccc(F)cc2n1C ZINC000431035841 387673703 /nfs/dbraw/zinc/67/37/03/387673703.db2.gz GASDHMQOVWAUTF-UHFFFAOYSA-N 1 2 233.290 2.559 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000127012324 387704507 /nfs/dbraw/zinc/70/45/07/387704507.db2.gz XYISCRQHBDZZGC-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000127012324 387704509 /nfs/dbraw/zinc/70/45/09/387704509.db2.gz XYISCRQHBDZZGC-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@H]1CC[C@@H]([NH+]=c2[nH]c3ccc(F)cc3n2C)C1 ZINC000431422976 387707607 /nfs/dbraw/zinc/70/76/07/387707607.db2.gz RTEMKEBCUOUMNR-GXSJLCMTSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccc(F)cc3n2C)[C@H]1C ZINC000431428214 387708672 /nfs/dbraw/zinc/70/86/72/387708672.db2.gz CLKDDXOBKAFKPI-ZJUUUORDSA-N 1 2 247.317 2.947 20 0 BFADLO CCCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000377318712 387709808 /nfs/dbraw/zinc/70/98/08/387709808.db2.gz WQOGSMCUWJDQJO-NSHDSACASA-N 1 2 235.331 2.654 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2nccc(C)n2)c1 ZINC000452088861 387732182 /nfs/dbraw/zinc/73/21/82/387732182.db2.gz PIADQLGRYTVAKX-ZDUSSCGKSA-N 1 2 241.338 2.944 20 0 BFADLO CC[N@H+](CCCOC)c1ccccc1C ZINC000128238328 387742267 /nfs/dbraw/zinc/74/22/67/387742267.db2.gz WQAFOAJNULEZJP-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO CC[N@@H+](CCCOC)c1ccccc1C ZINC000128238328 387742271 /nfs/dbraw/zinc/74/22/71/387742271.db2.gz WQAFOAJNULEZJP-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)C[C@@H]2C)[nH+]1 ZINC000081003997 387765427 /nfs/dbraw/zinc/76/54/27/387765427.db2.gz OJTOHKKGHKGEAY-BDAKNGLRSA-N 1 2 230.315 2.501 20 0 BFADLO CC(C)[C@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334550 387804407 /nfs/dbraw/zinc/80/44/07/387804407.db2.gz NJPRNNYNSMWLKZ-LLVKDONJSA-N 1 2 249.358 2.840 20 0 BFADLO CC[C@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334429 387805297 /nfs/dbraw/zinc/80/52/97/387805297.db2.gz MTKFELODQWGFSS-JTQLQIEISA-N 1 2 235.331 2.594 20 0 BFADLO COc1ccc[nH+]c1N1CCC(C)=C(C)C1 ZINC000527998427 387806077 /nfs/dbraw/zinc/80/60/77/387806077.db2.gz ZPDBUCVNGWDIBH-UHFFFAOYSA-N 1 2 218.300 2.637 20 0 BFADLO Cc1ccc(CNc2cccc(CO)[nH+]2)cc1C ZINC000432734559 387811322 /nfs/dbraw/zinc/81/13/22/387811322.db2.gz UZOIMNRBQNKNPV-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO COc1ccc[nH+]c1N(C)Cc1ccoc1C ZINC000527857264 387758563 /nfs/dbraw/zinc/75/85/63/387758563.db2.gz CXWMLSXKLLAHKK-UHFFFAOYSA-N 1 2 232.283 2.628 20 0 BFADLO COc1ccc[nH+]c1N1CCCc2occc2C1 ZINC000528021714 387825992 /nfs/dbraw/zinc/82/59/92/387825992.db2.gz DRLPVQBBUJFGCI-UHFFFAOYSA-N 1 2 244.294 2.636 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](CC2CC2)C1 ZINC000528025108 387830327 /nfs/dbraw/zinc/83/03/27/387830327.db2.gz JYNGVQRFCVRGHG-GFCCVEGCSA-N 1 2 232.327 2.717 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](CC2CC2)C1 ZINC000528025110 387830730 /nfs/dbraw/zinc/83/07/30/387830730.db2.gz JYNGVQRFCVRGHG-LBPRGKRZSA-N 1 2 232.327 2.717 20 0 BFADLO Cc1cc(F)ccc1C[N@H+](C)Cc1cocn1 ZINC000432927001 387843010 /nfs/dbraw/zinc/84/30/10/387843010.db2.gz JDBXPIPLUBEDBX-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cocn1 ZINC000432927001 387843017 /nfs/dbraw/zinc/84/30/17/387843017.db2.gz JDBXPIPLUBEDBX-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1C[C@@]1(C)C(C)C)c1[nH]cc[nH+]1 ZINC000442821574 387845938 /nfs/dbraw/zinc/84/59/38/387845938.db2.gz MZYHVDMKPCSWKS-MJVIPROJSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)(C)OCCCSCCn1cc[nH+]c1 ZINC000611183226 387854456 /nfs/dbraw/zinc/85/44/56/387854456.db2.gz BWVFQMDDNHMHEY-UHFFFAOYSA-N 1 2 242.388 2.822 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1ccon1 ZINC000442878386 387854886 /nfs/dbraw/zinc/85/48/86/387854886.db2.gz SURJJCQCYCORRZ-NXEZZACHSA-N 1 2 232.283 2.792 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1Cl ZINC000193652944 387859960 /nfs/dbraw/zinc/85/99/60/387859960.db2.gz FQRWRDDSDRJMIL-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1Cl ZINC000193652944 387859963 /nfs/dbraw/zinc/85/99/63/387859963.db2.gz FQRWRDDSDRJMIL-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(C[NH2+]C(C)(C)c2nccs2)n1 ZINC000235889095 387866217 /nfs/dbraw/zinc/86/62/17/387866217.db2.gz LFNROHQSIPXDEB-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](CC(C)C)OC ZINC000528036526 387817045 /nfs/dbraw/zinc/81/70/45/387817045.db2.gz RMOXSHYGCSTMFO-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)no1 ZINC000033893646 177865887 /nfs/dbraw/zinc/86/58/87/177865887.db2.gz MTBTZNRGAVUZMK-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO C[N@H+](CC1=CCCC1)Cc1nccn1C(F)F ZINC000645775784 387899838 /nfs/dbraw/zinc/89/98/38/387899838.db2.gz NPNZALSCZDBMAS-UHFFFAOYSA-N 1 2 241.285 2.820 20 0 BFADLO C[N@@H+](CC1=CCCC1)Cc1nccn1C(F)F ZINC000645775784 387899842 /nfs/dbraw/zinc/89/98/42/387899842.db2.gz NPNZALSCZDBMAS-UHFFFAOYSA-N 1 2 241.285 2.820 20 0 BFADLO COC(=O)C1([NH2+]C/C=C/Cl)CCCCCC1 ZINC000154769232 387902426 /nfs/dbraw/zinc/90/24/26/387902426.db2.gz PBVJXCQVCNXOCI-RMKNXTFCSA-N 1 2 245.750 2.595 20 0 BFADLO CC[C@H]1C[C@H](C[NH2+][C@@H](C)C(F)(F)F)CCO1 ZINC000424187027 387903207 /nfs/dbraw/zinc/90/32/07/387903207.db2.gz ULUXLBSAXIWJPF-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@H](C(C)C)C2)no1 ZINC000444748555 387919651 /nfs/dbraw/zinc/91/96/51/387919651.db2.gz KBLQPJTVLQEULA-NSHDSACASA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@H](C(C)C)C2)no1 ZINC000444748555 387919655 /nfs/dbraw/zinc/91/96/55/387919655.db2.gz KBLQPJTVLQEULA-NSHDSACASA-N 1 2 237.347 2.500 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000438477758 387935690 /nfs/dbraw/zinc/93/56/90/387935690.db2.gz MGARUWWKOOEYBL-SNVBAGLBSA-N 1 2 249.280 2.785 20 0 BFADLO CC(C)[N@H+](Cc1nccs1)Cc1ccccn1 ZINC000533079575 387939888 /nfs/dbraw/zinc/93/98/88/387939888.db2.gz UCCVPSLVPXJQKE-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1nccs1)Cc1ccccn1 ZINC000533079575 387939890 /nfs/dbraw/zinc/93/98/90/387939890.db2.gz UCCVPSLVPXJQKE-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO c1coc([C@@H]2COCC[N@H+]2CC2=CCCC2)c1 ZINC000645804978 387949286 /nfs/dbraw/zinc/94/92/86/387949286.db2.gz HVYOFJBYSHEKRQ-ZDUSSCGKSA-N 1 2 233.311 2.763 20 0 BFADLO c1coc([C@@H]2COCC[N@@H+]2CC2=CCCC2)c1 ZINC000645804978 387949289 /nfs/dbraw/zinc/94/92/89/387949289.db2.gz HVYOFJBYSHEKRQ-ZDUSSCGKSA-N 1 2 233.311 2.763 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000424313695 387965594 /nfs/dbraw/zinc/96/55/94/387965594.db2.gz BJGZDGMOZYBJQW-MAUMQABQSA-N 1 2 209.255 2.961 20 0 BFADLO COCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)C(F)(F)F ZINC000424333985 387979143 /nfs/dbraw/zinc/97/91/43/387979143.db2.gz YGPYCABTXISJJX-IVZWLZJFSA-N 1 2 239.281 2.732 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1CCc2ncsc2C1 ZINC000445847933 387974715 /nfs/dbraw/zinc/97/47/15/387974715.db2.gz UJUKTDKAPSTBAB-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1CCc2ncsc2C1 ZINC000445847933 387974720 /nfs/dbraw/zinc/97/47/20/387974720.db2.gz UJUKTDKAPSTBAB-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO CC[C@@H](C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000453061949 387977283 /nfs/dbraw/zinc/97/72/83/387977283.db2.gz UBMGZEOCSCQPAV-ZYHUDNBSSA-N 1 2 236.363 2.814 20 0 BFADLO c1coc(SCc2c[nH+]c3ccccn23)n1 ZINC000446061567 387985336 /nfs/dbraw/zinc/98/53/36/387985336.db2.gz QRCQIBGVEKMFFJ-UHFFFAOYSA-N 1 2 231.280 2.615 20 0 BFADLO CC[C@H]([NH2+]c1ccc2c(c1)CCN2)[C@H]1CCOC1 ZINC000423220499 388001853 /nfs/dbraw/zinc/00/18/53/388001853.db2.gz VIVLHNGMWDLYNB-JSGCOSHPSA-N 1 2 246.354 2.882 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754619 388009981 /nfs/dbraw/zinc/00/99/81/388009981.db2.gz BBMNJIKCYUMIJC-SCRDCRAPSA-N 1 2 247.338 2.774 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754619 388009986 /nfs/dbraw/zinc/00/99/86/388009986.db2.gz BBMNJIKCYUMIJC-SCRDCRAPSA-N 1 2 247.338 2.774 20 0 BFADLO CCCCOC1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000439712908 388014094 /nfs/dbraw/zinc/01/40/94/388014094.db2.gz GUNIUBASRRXBIT-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)C(F)F ZINC000453254886 388026281 /nfs/dbraw/zinc/02/62/81/388026281.db2.gz YNHYBGZYLGJFIR-WCBMZHEXSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H](N[C@H](C)c1[nH+]ccn1CC)C(F)F ZINC000453227105 388015994 /nfs/dbraw/zinc/01/59/94/388015994.db2.gz ARAWVRHHZCWGNM-BDAKNGLRSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccncc1)C(F)F ZINC000453250013 388023072 /nfs/dbraw/zinc/02/30/72/388023072.db2.gz RCOWDZJJCFXENH-WPRPVWTQSA-N 1 2 214.259 2.776 20 0 BFADLO Fc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000082359151 388032257 /nfs/dbraw/zinc/03/22/57/388032257.db2.gz LATFMBFVNHJLGW-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)C(F)F ZINC000453254887 388026327 /nfs/dbraw/zinc/02/63/27/388026327.db2.gz YNHYBGZYLGJFIR-WPRPVWTQSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)C(F)F ZINC000453254884 388026402 /nfs/dbraw/zinc/02/64/02/388026402.db2.gz YNHYBGZYLGJFIR-PSASIEDQSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@@H]1CO[C@@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000447080728 388052981 /nfs/dbraw/zinc/05/29/81/388052981.db2.gz YSKAUQVUTFAWAL-NWDGAFQWSA-N 1 2 249.358 2.604 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C(C)(C)C1CCC1 ZINC000448838666 388114455 /nfs/dbraw/zinc/11/44/55/388114455.db2.gz YVTUPNBBJYOJKY-UHFFFAOYSA-N 1 2 248.326 2.855 20 0 BFADLO CO[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000440670084 388064480 /nfs/dbraw/zinc/06/44/80/388064480.db2.gz MVCQUDVRLGXRCE-NWDGAFQWSA-N 1 2 249.358 2.604 20 0 BFADLO C[C@H](C[N@H+](CCO)CC(F)F)C1CCCCC1 ZINC000336657592 388071277 /nfs/dbraw/zinc/07/12/77/388071277.db2.gz MTFIXFMRLBERAO-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@H](C[N@@H+](CCO)CC(F)F)C1CCCCC1 ZINC000336657592 388071280 /nfs/dbraw/zinc/07/12/80/388071280.db2.gz MTFIXFMRLBERAO-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(C(C)C)c1)C(=O)OC ZINC000447796567 388092213 /nfs/dbraw/zinc/09/22/13/388092213.db2.gz XHFHLHRFEXNIFC-AWEZNQCLSA-N 1 2 249.354 2.851 20 0 BFADLO CCC1C[NH+](Cc2ncc(CSC)s2)C1 ZINC000453619418 388093901 /nfs/dbraw/zinc/09/39/01/388093901.db2.gz TWEMEHKQJNQIGL-UHFFFAOYSA-N 1 2 242.413 2.848 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)no1 ZINC000195133550 388098077 /nfs/dbraw/zinc/09/80/77/388098077.db2.gz LGGOMOTXBOUTRM-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)no1 ZINC000195133550 388098079 /nfs/dbraw/zinc/09/80/79/388098079.db2.gz LGGOMOTXBOUTRM-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccncc1F ZINC000449227461 388159544 /nfs/dbraw/zinc/15/95/44/388159544.db2.gz PLHZRQNIDJEYJG-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccncc1F ZINC000449227461 388159545 /nfs/dbraw/zinc/15/95/45/388159545.db2.gz PLHZRQNIDJEYJG-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO CCn1cc[nH+]c1CN(C)[C@@H](C)c1ccco1 ZINC000195515383 388165529 /nfs/dbraw/zinc/16/55/29/388165529.db2.gz HTTNLDUAFPAICV-NSHDSACASA-N 1 2 233.315 2.689 20 0 BFADLO Cc1ccsc1C[NH2+]Cc1noc(C2CC2)n1 ZINC000449303010 388169845 /nfs/dbraw/zinc/16/98/45/388169845.db2.gz VYURBORWEVQVMH-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1cc(C[NH2+]C2(C(F)F)CC2)cs1 ZINC000449307954 388170448 /nfs/dbraw/zinc/17/04/48/388170448.db2.gz SRUWKEJZXGSZLD-UHFFFAOYSA-N 1 2 217.284 2.944 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(COC)c1)C(F)F ZINC000449356507 388180676 /nfs/dbraw/zinc/18/06/76/388180676.db2.gz ABNNDXSCGHWOBU-GFCCVEGCSA-N 1 2 243.297 2.966 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc2c1OCO2)C(F)F ZINC000449364223 388183501 /nfs/dbraw/zinc/18/35/01/388183501.db2.gz RNXIEXKKJRUARO-SECBINFHSA-N 1 2 243.253 2.549 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc(Cl)s1 ZINC000449374104 388184938 /nfs/dbraw/zinc/18/49/38/388184938.db2.gz WTJDYTDHUXYBFS-UHFFFAOYSA-N 1 2 225.691 2.799 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(C)c1F ZINC000449014760 388129329 /nfs/dbraw/zinc/12/93/29/388129329.db2.gz IWZSIJNYBKMBIS-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cccc(C)c1F ZINC000449014760 388129331 /nfs/dbraw/zinc/12/93/31/388129331.db2.gz IWZSIJNYBKMBIS-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2CC[C@@](C)(F)C2)c1 ZINC000449041464 388135441 /nfs/dbraw/zinc/13/54/41/388135441.db2.gz MYSRPRPVGRTMAO-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)cc(C[N@H+]2CC[C@@](C)(F)C2)c1 ZINC000449041464 388135443 /nfs/dbraw/zinc/13/54/43/388135443.db2.gz MYSRPRPVGRTMAO-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO CCC1(NC(=O)c2c[nH+]c(C)[nH]2)CCCCC1 ZINC000456220778 388186611 /nfs/dbraw/zinc/18/66/11/388186611.db2.gz RHBIMLWBVGJPCA-UHFFFAOYSA-N 1 2 235.331 2.561 20 0 BFADLO CC[C@H](CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000449159033 388150248 /nfs/dbraw/zinc/15/02/48/388150248.db2.gz WXNBADWWHUDCCQ-GFCCVEGCSA-N 1 2 234.343 2.823 20 0 BFADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000449661874 388250517 /nfs/dbraw/zinc/25/05/17/388250517.db2.gz JYWNERAJOUFSRZ-OLZOCXBDSA-N 1 2 249.354 2.720 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)C2CCC2)s1 ZINC000450438699 388256451 /nfs/dbraw/zinc/25/64/51/388256451.db2.gz KZXRNNIKLFCNNR-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)C2CCC2)s1 ZINC000450438699 388256454 /nfs/dbraw/zinc/25/64/54/388256454.db2.gz KZXRNNIKLFCNNR-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1ncc(C[NH2+]C(CF)CF)s1 ZINC000449380931 388189070 /nfs/dbraw/zinc/18/90/70/388189070.db2.gz PMGDXYXGJDUXHU-UHFFFAOYSA-N 1 2 234.315 2.664 20 0 BFADLO COc1ccccc1/C=C/C[NH2+]C(CF)CF ZINC000449382509 388189827 /nfs/dbraw/zinc/18/98/27/388189827.db2.gz XHYSAEZXMVKRRO-GQCTYLIASA-N 1 2 241.281 2.606 20 0 BFADLO COC(=O)[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccccc1 ZINC000310761298 256532038 /nfs/dbraw/zinc/53/20/38/256532038.db2.gz AXKCFBWHIXELLF-OCCSQVGLSA-N 1 2 249.354 2.782 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC000449393542 388193030 /nfs/dbraw/zinc/19/30/30/388193030.db2.gz MAJMARFWRBFXPV-SSDOTTSWSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000449393542 388193032 /nfs/dbraw/zinc/19/30/32/388193032.db2.gz MAJMARFWRBFXPV-SSDOTTSWSA-N 1 2 219.712 2.945 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[C@]1(C)CC ZINC000456336540 388195553 /nfs/dbraw/zinc/19/55/53/388195553.db2.gz ANKPDBOWDHIVKE-MJVIPROJSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(CC)CCC1 ZINC000456367714 388197322 /nfs/dbraw/zinc/19/73/22/388197322.db2.gz XBQZZARVAURSSY-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(C)CCCC1 ZINC000456377011 388198194 /nfs/dbraw/zinc/19/81/94/388198194.db2.gz HXBDNZWCEVQGQZ-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC[N@H+](Cc1ccc(Cl)cc1F)C1COC1 ZINC000449422774 388200882 /nfs/dbraw/zinc/20/08/82/388200882.db2.gz FJOSIVOCHGSBTL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@@H+](Cc1ccc(Cl)cc1F)C1COC1 ZINC000449422774 388200884 /nfs/dbraw/zinc/20/08/84/388200884.db2.gz FJOSIVOCHGSBTL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@H+](Cc1cc(Cl)cs1)C1COC1 ZINC000449422194 388201035 /nfs/dbraw/zinc/20/10/35/388201035.db2.gz CWBPWUNYVMMLNS-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO CC[N@@H+](Cc1cc(Cl)cs1)C1COC1 ZINC000449422194 388201037 /nfs/dbraw/zinc/20/10/37/388201037.db2.gz CWBPWUNYVMMLNS-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO COCc1nc(C[N@H+](C)[C@@H]2CC2(C)C)cs1 ZINC000489452905 388215380 /nfs/dbraw/zinc/21/53/80/388215380.db2.gz WCSLENLFLIWGJA-SNVBAGLBSA-N 1 2 240.372 2.520 20 0 BFADLO COCc1nc(C[N@@H+](C)[C@@H]2CC2(C)C)cs1 ZINC000489452905 388215382 /nfs/dbraw/zinc/21/53/82/388215382.db2.gz WCSLENLFLIWGJA-SNVBAGLBSA-N 1 2 240.372 2.520 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@H](C)C(C)C)c[nH+]1 ZINC000456836384 388226705 /nfs/dbraw/zinc/22/67/05/388226705.db2.gz KCQBIEHPWYGPPJ-NSHDSACASA-N 1 2 248.370 2.997 20 0 BFADLO CC[C@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456846994 388227331 /nfs/dbraw/zinc/22/73/31/388227331.db2.gz UNJFWBNPVQPMMR-JTQLQIEISA-N 1 2 234.343 2.751 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456842558 388227378 /nfs/dbraw/zinc/22/73/78/388227378.db2.gz PWRZGCFIWYZBSN-MFKMUULPSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@H]2C=CCC2)c[nH+]1 ZINC000456869975 388229526 /nfs/dbraw/zinc/22/95/26/388229526.db2.gz ZCFIRBUZUKPVEX-ZDUSSCGKSA-N 1 2 244.338 2.671 20 0 BFADLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000449562811 388233154 /nfs/dbraw/zinc/23/31/54/388233154.db2.gz OGFROODNVWCTEA-LLVKDONJSA-N 1 2 233.315 2.655 20 0 BFADLO CCc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)o1 ZINC000449570780 388236330 /nfs/dbraw/zinc/23/63/30/388236330.db2.gz KKDDYVLCAJFSHK-MFKMUULPSA-N 1 2 245.326 2.834 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2occc2C)o1 ZINC000449612922 388243780 /nfs/dbraw/zinc/24/37/80/388243780.db2.gz PJHGBYNGKJHNGR-UHFFFAOYSA-N 1 2 234.299 2.818 20 0 BFADLO C/C=C/C=C\C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000491364534 388288904 /nfs/dbraw/zinc/28/89/04/388288904.db2.gz GGKRLVXFGPDEAD-VNVVFCSDSA-N 1 2 245.326 2.596 20 0 BFADLO CCC(C)(C)CC[N@@H+](CC(F)F)C[C@@H](C)O ZINC000451825938 388299129 /nfs/dbraw/zinc/29/91/29/388299129.db2.gz BVCPEGRMWXHHJP-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO CCC(C)(C)CC[N@H+](CC(F)F)C[C@@H](C)O ZINC000451825938 388299130 /nfs/dbraw/zinc/29/91/30/388299130.db2.gz BVCPEGRMWXHHJP-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO C[C@@H](O)C[N@H+](CCC1=CCCCC1)CC(F)F ZINC000451827917 388299377 /nfs/dbraw/zinc/29/93/77/388299377.db2.gz HIBOGSCKVSYLBW-LLVKDONJSA-N 1 2 247.329 2.825 20 0 BFADLO C[C@@H](O)C[N@@H+](CCC1=CCCCC1)CC(F)F ZINC000451827917 388299379 /nfs/dbraw/zinc/29/93/79/388299379.db2.gz HIBOGSCKVSYLBW-LLVKDONJSA-N 1 2 247.329 2.825 20 0 BFADLO Cc1csc(C[NH2+]Cc2ccc(C)c(C)n2)n1 ZINC000314015883 256601154 /nfs/dbraw/zinc/60/11/54/256601154.db2.gz GWMYTALUEVDRBW-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275554514 388345045 /nfs/dbraw/zinc/34/50/45/388345045.db2.gz FCZUTZWYVZYJDY-AAEUAGOBSA-N 1 2 244.342 2.617 20 0 BFADLO O=C1CC[N@@H+](Cc2cccc(F)c2)C2(CCC2)C1 ZINC000572733077 388371988 /nfs/dbraw/zinc/37/19/88/388371988.db2.gz ZEAPZLNGXMDFIQ-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO O=C1CC[N@H+](Cc2cccc(F)c2)C2(CCC2)C1 ZINC000572733077 388371990 /nfs/dbraw/zinc/37/19/90/388371990.db2.gz ZEAPZLNGXMDFIQ-UHFFFAOYSA-N 1 2 247.313 2.913 20 0 BFADLO c1coc([C@H]2[N@H+](Cc3cn[nH]c3)CC23CCC3)c1 ZINC000648801761 388374449 /nfs/dbraw/zinc/37/44/49/388374449.db2.gz ZYIIDOCLGQZDMV-CYBMUJFWSA-N 1 2 243.310 2.730 20 0 BFADLO c1coc([C@H]2[N@@H+](Cc3cn[nH]c3)CC23CCC3)c1 ZINC000648801761 388374451 /nfs/dbraw/zinc/37/44/51/388374451.db2.gz ZYIIDOCLGQZDMV-CYBMUJFWSA-N 1 2 243.310 2.730 20 0 BFADLO CC(C)C[C@H](C)CNc1ccc(CO)c[nH+]1 ZINC000291678889 388376523 /nfs/dbraw/zinc/37/65/23/388376523.db2.gz XAHSTVIBHKGDEO-NSHDSACASA-N 1 2 222.332 2.668 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000237328013 388392596 /nfs/dbraw/zinc/39/25/96/388392596.db2.gz YTAXRRKFTYCDIY-UHFFFAOYSA-N 1 2 234.324 2.686 20 0 BFADLO COCc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294038753 388393617 /nfs/dbraw/zinc/39/36/17/388393617.db2.gz ILFOGODNDRVZQY-ZDUSSCGKSA-N 1 2 243.310 2.586 20 0 BFADLO CCCC[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000002045791 388449683 /nfs/dbraw/zinc/44/96/83/388449683.db2.gz QXLIYDWLMWXTOE-ZDUSSCGKSA-N 1 2 235.327 2.681 20 0 BFADLO CCC[N@H+](CC(=O)OC(C)(C)C)CC1(F)CC1 ZINC000525992200 388452609 /nfs/dbraw/zinc/45/26/09/388452609.db2.gz GVLUXYJDYRLZQJ-UHFFFAOYSA-N 1 2 245.338 2.542 20 0 BFADLO CCC[N@@H+](CC(=O)OC(C)(C)C)CC1(F)CC1 ZINC000525992200 388452612 /nfs/dbraw/zinc/45/26/12/388452612.db2.gz GVLUXYJDYRLZQJ-UHFFFAOYSA-N 1 2 245.338 2.542 20 0 BFADLO CSCc1cnc(C[NH2+]C(C)(C)CF)s1 ZINC000339354340 388480981 /nfs/dbraw/zinc/48/09/81/388480981.db2.gz HJMWFEFZWCMTHU-UHFFFAOYSA-N 1 2 248.392 2.844 20 0 BFADLO CCn1cc[nH+]c1CN[C@@H](C(C)C)C(F)(F)F ZINC000527292635 388464531 /nfs/dbraw/zinc/46/45/31/388464531.db2.gz DOXIKOCSPFMWPV-JTQLQIEISA-N 1 2 249.280 2.580 20 0 BFADLO CC[C@H](COC)Nc1ccc(SC)c[nH+]1 ZINC000134310524 388476063 /nfs/dbraw/zinc/47/60/63/388476063.db2.gz GPMQUFRBXHOEED-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO CCSCC[N@H+](C)Cc1csc(CC)n1 ZINC000525119989 388416590 /nfs/dbraw/zinc/41/65/90/388416590.db2.gz IDKFJCFTYMGZIG-UHFFFAOYSA-N 1 2 244.429 2.890 20 0 BFADLO CCSCC[N@@H+](C)Cc1csc(CC)n1 ZINC000525119989 388416593 /nfs/dbraw/zinc/41/65/93/388416593.db2.gz IDKFJCFTYMGZIG-UHFFFAOYSA-N 1 2 244.429 2.890 20 0 BFADLO Cc1cscc1N[C@H]1CCn2cc[nH+]c21 ZINC000296906646 388426585 /nfs/dbraw/zinc/42/65/85/388426585.db2.gz PDEAKROBBUPISH-VIFPVBQESA-N 1 2 219.313 2.810 20 0 BFADLO CCC(CC)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573213387 388432316 /nfs/dbraw/zinc/43/23/16/388432316.db2.gz BMBRGKBXBGFTCA-UHFFFAOYSA-N 1 2 237.347 2.587 20 0 BFADLO Cc1nc(N2CCS[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000245864120 388433673 /nfs/dbraw/zinc/43/36/73/388433673.db2.gz DFGLHIVUNUXYRB-NEPJUHHUSA-N 1 2 249.383 2.649 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000528502412 388537639 /nfs/dbraw/zinc/53/76/39/388537639.db2.gz HUJHMGJNIHXUPQ-NVDWLVSRSA-N 1 2 241.722 2.658 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000528502412 388537643 /nfs/dbraw/zinc/53/76/43/388537643.db2.gz HUJHMGJNIHXUPQ-NVDWLVSRSA-N 1 2 241.722 2.658 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC(=O)CC12CCC2 ZINC000528521347 388542788 /nfs/dbraw/zinc/54/27/88/388542788.db2.gz HBGRTOCDMAUWAJ-XCVCLJGOSA-N 1 2 227.735 2.717 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC(=O)CC12CCC2 ZINC000528521347 388542790 /nfs/dbraw/zinc/54/27/90/388542790.db2.gz HBGRTOCDMAUWAJ-XCVCLJGOSA-N 1 2 227.735 2.717 20 0 BFADLO Cc1cc(NC(=O)C[C@@H](C)c2ccco2)cc[nH+]1 ZINC000528533296 388543829 /nfs/dbraw/zinc/54/38/29/388543829.db2.gz IHRZSGKWLDBRKQ-SNVBAGLBSA-N 1 2 244.294 2.537 20 0 BFADLO CO[C@H](CNc1ccc2ccccc2[nH+]1)C(C)C ZINC000342458086 388497794 /nfs/dbraw/zinc/49/77/94/388497794.db2.gz MDGLHDPWNKNDQQ-CQSZACIVSA-N 1 2 244.338 2.740 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1nccs1 ZINC000345347561 388511902 /nfs/dbraw/zinc/51/19/02/388511902.db2.gz DSFGBVFPPDPUKW-GUBZILKMSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)c1nccs1 ZINC000345347561 388511903 /nfs/dbraw/zinc/51/19/03/388511903.db2.gz DSFGBVFPPDPUKW-GUBZILKMSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccco1 ZINC000345351970 388512754 /nfs/dbraw/zinc/51/27/54/388512754.db2.gz PEIHYKSMFSMLBF-OUAUKWLOSA-N 1 2 231.299 2.833 20 0 BFADLO C/C(Cl)=C/C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000528450900 388527442 /nfs/dbraw/zinc/52/74/42/388527442.db2.gz QUMBMQATEGTPFF-NGAMADIESA-N 1 2 231.752 2.640 20 0 BFADLO CO[C@]1(C)C[C@@H](Nc2nc(C)[nH+]cc2C)C1(C)C ZINC000517040989 388535721 /nfs/dbraw/zinc/53/57/21/388535721.db2.gz AOYFPNRZSQCNOZ-BXUZGUMPSA-N 1 2 249.358 2.709 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccncc1F ZINC000550700117 388613368 /nfs/dbraw/zinc/61/33/68/388613368.db2.gz BOYUVPSREOJNQD-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000517626340 388555537 /nfs/dbraw/zinc/55/55/37/388555537.db2.gz CPLWRHNCTAPNRM-NEPJUHHUSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000517626340 388555538 /nfs/dbraw/zinc/55/55/38/388555538.db2.gz CPLWRHNCTAPNRM-NEPJUHHUSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000521137602 388563018 /nfs/dbraw/zinc/56/30/18/388563018.db2.gz WOHNCLQBQHJTPR-RYUDHWBXSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cccnc1C[NH2+][C@@H](C)c1ncccc1F ZINC000528822437 388577189 /nfs/dbraw/zinc/57/71/89/388577189.db2.gz FGSJTUDPGKCAFL-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO CC(C)c1nc(N2C3CCC2CC3)cc[nH+]1 ZINC000521919612 388667520 /nfs/dbraw/zinc/66/75/20/388667520.db2.gz RLCIGGNVTQLARP-UHFFFAOYSA-N 1 2 217.316 2.731 20 0 BFADLO C[C@@H](CC(=O)NC1CCCCCC1)n1cc[nH+]c1 ZINC000551757370 388639516 /nfs/dbraw/zinc/63/95/16/388639516.db2.gz CAUGGEZOAAMLES-LBPRGKRZSA-N 1 2 249.358 2.673 20 0 BFADLO COc1cc(C)ccc1[NH2+]CC[C@H]1CCCO1 ZINC000189623332 388639971 /nfs/dbraw/zinc/63/99/71/388639971.db2.gz MOJPFTIQDGOPGO-GFCCVEGCSA-N 1 2 235.327 2.985 20 0 BFADLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000020209491 388758060 /nfs/dbraw/zinc/75/80/60/388758060.db2.gz DUCNQFQAJDIYPE-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Fc1ccc(F)c(C[NH2+]Cc2cscn2)c1 ZINC000065275833 388688953 /nfs/dbraw/zinc/68/89/53/388688953.db2.gz FXTFLIBHRXHKGI-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO CCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000193010007 388691897 /nfs/dbraw/zinc/69/18/97/388691897.db2.gz PFMVDACDHIAQOH-UHFFFAOYSA-N 1 2 217.268 2.951 20 0 BFADLO Cc1cc(C)c(NC(=O)CC(F)(F)F)c(C)[nH+]1 ZINC000193183496 388695664 /nfs/dbraw/zinc/69/56/64/388695664.db2.gz FEQGODQMKWNZTC-UHFFFAOYSA-N 1 2 246.232 2.898 20 0 BFADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000020209491 388758056 /nfs/dbraw/zinc/75/80/56/388758056.db2.gz DUCNQFQAJDIYPE-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1cccc(C)c1C ZINC000092399539 388803940 /nfs/dbraw/zinc/80/39/40/388803940.db2.gz WJXDTLOGTBQJIM-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1cccc(C)c1C ZINC000092399539 388803945 /nfs/dbraw/zinc/80/39/45/388803945.db2.gz WJXDTLOGTBQJIM-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000020209495 388758437 /nfs/dbraw/zinc/75/84/37/388758437.db2.gz DUCNQFQAJDIYPE-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000020209495 388758441 /nfs/dbraw/zinc/75/84/41/388758441.db2.gz DUCNQFQAJDIYPE-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1oncc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000129531398 388852017 /nfs/dbraw/zinc/85/20/17/388852017.db2.gz WATOUIGDFGSSJB-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1oncc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000129531398 388852019 /nfs/dbraw/zinc/85/20/19/388852019.db2.gz WATOUIGDFGSSJB-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)o1 ZINC000541646178 388861046 /nfs/dbraw/zinc/86/10/46/388861046.db2.gz ZASYRKHUYRXOAV-NSHDSACASA-N 1 2 248.330 2.611 20 0 BFADLO Cc1nnsc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000556112957 388867685 /nfs/dbraw/zinc/86/76/85/388867685.db2.gz HVOFECIJBGJVIY-SECBINFHSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnsc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000556112957 388867687 /nfs/dbraw/zinc/86/76/87/388867687.db2.gz HVOFECIJBGJVIY-SECBINFHSA-N 1 2 237.328 2.633 20 0 BFADLO COC1(C)CN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000564892461 388897039 /nfs/dbraw/zinc/89/70/39/388897039.db2.gz XRNYLHNDOTXVFX-UHFFFAOYSA-N 1 2 246.285 2.599 20 0 BFADLO CC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000129954691 388878075 /nfs/dbraw/zinc/87/80/75/388878075.db2.gz ZHMKOBSFOHVKRF-MNOVXSKESA-N 1 2 205.305 2.776 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000565100300 388914976 /nfs/dbraw/zinc/91/49/76/388914976.db2.gz SYIWIIQKXXDMPG-MRVPVSSYSA-N 1 2 217.671 2.867 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000565100300 388914978 /nfs/dbraw/zinc/91/49/78/388914978.db2.gz SYIWIIQKXXDMPG-MRVPVSSYSA-N 1 2 217.671 2.867 20 0 BFADLO C[C@@H](NC(=O)CC1(C)CCCC1)c1[nH]cc[nH+]1 ZINC000565216699 388926531 /nfs/dbraw/zinc/92/65/31/388926531.db2.gz YGYDEVUIWVAFSJ-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO Cc1nc(CSCCc2cccc(C)[nH+]2)no1 ZINC000564981807 388905102 /nfs/dbraw/zinc/90/51/02/388905102.db2.gz JZSMTXKZOMOANE-UHFFFAOYSA-N 1 2 249.339 2.557 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1cscn1 ZINC000293624710 388989823 /nfs/dbraw/zinc/98/98/23/388989823.db2.gz JYNAFBWROCKLJI-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CSC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265467144 388993364 /nfs/dbraw/zinc/99/33/64/388993364.db2.gz BQPAKEKJGRGCOE-VIFPVBQESA-N 1 2 237.372 2.826 20 0 BFADLO CC(C)[N@@H+](Cc1ccc(CO)cc1)CC(F)F ZINC000272346930 389031242 /nfs/dbraw/zinc/03/12/42/389031242.db2.gz PVFYWWYAPBJARG-UHFFFAOYSA-N 1 2 243.297 2.654 20 0 BFADLO CC(C)[N@H+](Cc1ccc(CO)cc1)CC(F)F ZINC000272346930 389031246 /nfs/dbraw/zinc/03/12/46/389031246.db2.gz PVFYWWYAPBJARG-UHFFFAOYSA-N 1 2 243.297 2.654 20 0 BFADLO c1ccc(N[C@@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000268954954 389005403 /nfs/dbraw/zinc/00/54/03/389005403.db2.gz JIUCNOVTVWWGEE-LLVKDONJSA-N 1 2 218.300 2.595 20 0 BFADLO c1ccc(N[C@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000268954957 389005928 /nfs/dbraw/zinc/00/59/28/389005928.db2.gz JIUCNOVTVWWGEE-NSHDSACASA-N 1 2 218.300 2.595 20 0 BFADLO COC(=O)c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000271622956 389023801 /nfs/dbraw/zinc/02/38/01/389023801.db2.gz MJTYVVAGHXKZFZ-UHFFFAOYSA-N 1 2 249.285 2.532 20 0 BFADLO COC(=O)c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271622956 389023798 /nfs/dbraw/zinc/02/37/98/389023798.db2.gz MJTYVVAGHXKZFZ-UHFFFAOYSA-N 1 2 249.285 2.532 20 0 BFADLO CC[C@H](CSC)Nc1cc[nH+]c(C2CC2)n1 ZINC000271685471 389024010 /nfs/dbraw/zinc/02/40/10/389024010.db2.gz KPQGAGMTEVKWSK-SNVBAGLBSA-N 1 2 237.372 2.908 20 0 BFADLO CC[C@H]([NH2+]Cc1ccno1)c1nc(C)cs1 ZINC000273492632 389041773 /nfs/dbraw/zinc/04/17/73/389041773.db2.gz KUCOFZJADXAVSI-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000273602743 389042219 /nfs/dbraw/zinc/04/22/19/389042219.db2.gz LRBPATRXHBTVCL-IUCAKERBSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1cc(NC(=O)NC[C@@H](C)C(C)C)cc[nH+]1 ZINC000179829646 322822147 /nfs/dbraw/zinc/82/21/47/322822147.db2.gz RBDWOZRJNAOKBH-SNVBAGLBSA-N 1 2 235.331 2.804 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000266213620 132185091 /nfs/dbraw/zinc/18/50/91/132185091.db2.gz OCBCBSMZIOCYQD-LLVKDONJSA-N 1 2 249.383 2.686 20 0 BFADLO CC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000266227627 132185189 /nfs/dbraw/zinc/18/51/89/132185189.db2.gz SIPZBQRVQNZQAT-CYBMUJFWSA-N 1 2 219.332 2.802 20 0 BFADLO C[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000266197771 132185328 /nfs/dbraw/zinc/18/53/28/132185328.db2.gz CWDNSJGSWJXGMH-QWRGUYRKSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1nc(N2CCC3(CCCC3)CC2)cc[nH+]1 ZINC000266191045 132185433 /nfs/dbraw/zinc/18/54/33/132185433.db2.gz BKJRXDCFSMINJW-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO OC1CCC2(CC1)CCN(c1cccc[nH+]1)CC2 ZINC000294900965 132219735 /nfs/dbraw/zinc/21/97/35/132219735.db2.gz IEJNVTOJNIUVIG-UHFFFAOYSA-N 1 2 246.354 2.603 20 0 BFADLO Cc1cc(N2CCC[C@]3(CCSC3)C2)nc[nH+]1 ZINC000336254347 132245513 /nfs/dbraw/zinc/24/55/13/132245513.db2.gz ZECHDPVCPXNELN-ZDUSSCGKSA-N 1 2 249.383 2.509 20 0 BFADLO Cc1cc(N2CCC[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301527951 132254369 /nfs/dbraw/zinc/25/43/69/132254369.db2.gz ODIQUJGTMKGUGQ-OLZOCXBDSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc(N2CCC[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301527952 132254588 /nfs/dbraw/zinc/25/45/88/132254588.db2.gz ODIQUJGTMKGUGQ-QWHCGFSZSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1nc(N2CCCC3(CC3)C2)c(C)c(C)[nH+]1 ZINC000302241779 132262333 /nfs/dbraw/zinc/26/23/33/132262333.db2.gz IPIAUQSNOXBFLE-UHFFFAOYSA-N 1 2 231.343 2.782 20 0 BFADLO CC[C@]1(C)CN(c2cc[nH+]c(C(C)C)n2)CCO1 ZINC000302633822 132265090 /nfs/dbraw/zinc/26/50/90/132265090.db2.gz GYWZORCVVBSOJF-CQSZACIVSA-N 1 2 249.358 2.605 20 0 BFADLO CC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110200220 132267802 /nfs/dbraw/zinc/26/78/02/132267802.db2.gz XGELQHAXIAWPSC-NSHDSACASA-N 1 2 231.343 2.980 20 0 BFADLO CO[C@@]1(C)CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000359747943 132277765 /nfs/dbraw/zinc/27/77/65/132277765.db2.gz PSPJLQDYMWBVAN-AWEZNQCLSA-N 1 2 249.358 2.605 20 0 BFADLO c1ccc(N2CCC[C@@H](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000367384304 132280520 /nfs/dbraw/zinc/28/05/20/132280520.db2.gz NDGNOTHOLLWHIK-UONOGXRCSA-N 1 2 246.354 2.725 20 0 BFADLO c1ccc(N2CCC(C3CC3)CC2)[nH+]c1 ZINC000368046961 132283097 /nfs/dbraw/zinc/28/30/97/132283097.db2.gz SAMBMKHUIVHFDK-UHFFFAOYSA-N 1 2 202.301 2.708 20 0 BFADLO Cc1cc(N2CCC[C@H](O)C2)[nH+]c2ccccc12 ZINC000046341224 132355030 /nfs/dbraw/zinc/35/50/30/132355030.db2.gz RSKIIFKFBVERJC-LBPRGKRZSA-N 1 2 242.322 2.504 20 0 BFADLO CCC[NH2+][C@H](C(=O)OCC)c1cccc(C)c1C ZINC000043315446 322839542 /nfs/dbraw/zinc/83/95/42/322839542.db2.gz QXLMCOVCRAHDFZ-AWEZNQCLSA-N 1 2 249.354 2.907 20 0 BFADLO C[C@@H]1CCC[C@@H](CC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000347520568 133837876 /nfs/dbraw/zinc/83/78/76/133837876.db2.gz UFWGCFPCRUDOAW-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349830428 133917476 /nfs/dbraw/zinc/91/74/76/133917476.db2.gz GFJCCOLHMRANQZ-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@H]1CN(Cc2[nH+]ccn2C)c2ccccc21 ZINC000335928351 134009399 /nfs/dbraw/zinc/00/93/99/134009399.db2.gz MBQXCKCEHFEXHF-NSHDSACASA-N 1 2 227.311 2.544 20 0 BFADLO C[C@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CCO1 ZINC000335985945 134038893 /nfs/dbraw/zinc/03/88/93/134038893.db2.gz GHIUTGOUYYODNK-AAEUAGOBSA-N 1 2 246.354 2.940 20 0 BFADLO C[C@H](Nc1cccc2c1CCO2)c1[nH+]ccn1C ZINC000336080645 134075440 /nfs/dbraw/zinc/07/54/40/134075440.db2.gz JYHAVMGPWPLMAI-JTQLQIEISA-N 1 2 243.310 2.528 20 0 BFADLO C[C@@H](Nc1cccc2c1CCO2)c1[nH+]ccn1C ZINC000336080646 134075484 /nfs/dbraw/zinc/07/54/84/134075484.db2.gz JYHAVMGPWPLMAI-SNVBAGLBSA-N 1 2 243.310 2.528 20 0 BFADLO CC[C@H]1CCN1c1cc[nH+]c(C(C)C)n1 ZINC000336094735 134079751 /nfs/dbraw/zinc/07/97/51/134079751.db2.gz LCJZYPKWWQTCNO-JTQLQIEISA-N 1 2 205.305 2.589 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H]2C2CC2)c1F ZINC000336216350 134137298 /nfs/dbraw/zinc/13/72/98/134137298.db2.gz UOVBMVDCCDZXHQ-NSHDSACASA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CC[C@H]2C2CC2)c1F ZINC000336216350 134137299 /nfs/dbraw/zinc/13/72/99/134137299.db2.gz UOVBMVDCCDZXHQ-NSHDSACASA-N 1 2 239.265 2.655 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301870954 134156707 /nfs/dbraw/zinc/15/67/07/134156707.db2.gz IRAZNHVQXRGKFO-GXSJLCMTSA-N 1 2 242.326 2.813 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000177909019 134301812 /nfs/dbraw/zinc/30/18/12/134301812.db2.gz CXCSVNAAXQDUCO-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@H](C)[C@@H]2C)no1 ZINC000177909019 134301813 /nfs/dbraw/zinc/30/18/13/134301813.db2.gz CXCSVNAAXQDUCO-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCN(CC)c1ccc(NC2CC(OC)C2)c[nH+]1 ZINC000221244031 134322341 /nfs/dbraw/zinc/32/23/41/134322341.db2.gz LRWCPQSNYMNHEF-UHFFFAOYSA-N 1 2 249.358 2.517 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CC1(C)CC1)c1ccccc1 ZINC000224402766 134346866 /nfs/dbraw/zinc/34/68/66/134346866.db2.gz UFVVRMYIECLGMC-CYBMUJFWSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1cc(NC(=O)c2ccc(O)c(C)c2)cc[nH+]1 ZINC000227028623 134373717 /nfs/dbraw/zinc/37/37/17/134373717.db2.gz WXJYXUBJLLYDLP-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)C1CC1 ZINC000227768857 134392842 /nfs/dbraw/zinc/39/28/42/134392842.db2.gz OYQGREIWEHERQQ-SMDDNHRTSA-N 1 2 247.338 2.597 20 0 BFADLO CC1=CCCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000336924150 134989878 /nfs/dbraw/zinc/98/98/78/134989878.db2.gz JRQTZWKOJIYCES-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccco1)c1nccs1 ZINC000070633872 135000738 /nfs/dbraw/zinc/00/07/38/135000738.db2.gz FFSKSZUROORGKP-SNVBAGLBSA-N 1 2 222.313 2.977 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000076692655 135047654 /nfs/dbraw/zinc/04/76/54/135047654.db2.gz NKUUKEPSDFGDFI-UHFFFAOYSA-N 1 2 249.354 2.735 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccon2)cc1C ZINC000077281156 135060422 /nfs/dbraw/zinc/06/04/22/135060422.db2.gz CRFZKZKKYUCQGF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccon2)cc1C ZINC000077281156 135060423 /nfs/dbraw/zinc/06/04/23/135060423.db2.gz CRFZKZKKYUCQGF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000077319745 135063205 /nfs/dbraw/zinc/06/32/05/135063205.db2.gz JWKISCQGPBLTLY-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)no1 ZINC000077319745 135063206 /nfs/dbraw/zinc/06/32/06/135063206.db2.gz JWKISCQGPBLTLY-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO FC1(F)CC[N@H+](CCc2ccccc2)C1 ZINC000259160432 135137243 /nfs/dbraw/zinc/13/72/43/135137243.db2.gz CHLFVNOQNLWCQS-UHFFFAOYSA-N 1 2 211.255 2.570 20 0 BFADLO FC1(F)CC[N@@H+](CCc2ccccc2)C1 ZINC000259160432 135137245 /nfs/dbraw/zinc/13/72/45/135137245.db2.gz CHLFVNOQNLWCQS-UHFFFAOYSA-N 1 2 211.255 2.570 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1C ZINC000270942205 135174006 /nfs/dbraw/zinc/17/40/06/135174006.db2.gz KABXDQYWUZCSSP-GHMZBOCLSA-N 1 2 231.343 2.836 20 0 BFADLO CC(C)C[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342802998 135321923 /nfs/dbraw/zinc/32/19/23/135321923.db2.gz SSCWWMPQNYIFSP-GFCCVEGCSA-N 1 2 248.374 2.923 20 0 BFADLO CC(C)C[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342802998 135321925 /nfs/dbraw/zinc/32/19/25/135321925.db2.gz SSCWWMPQNYIFSP-GFCCVEGCSA-N 1 2 248.374 2.923 20 0 BFADLO Cc1c[nH+]c(CN(C)c2cccc(C)c2)n1C ZINC000342769000 135326706 /nfs/dbraw/zinc/32/67/06/135326706.db2.gz PLBHZAJMGJKJOA-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](Cc1ccno1)CC2 ZINC000334348288 135366976 /nfs/dbraw/zinc/36/69/76/135366976.db2.gz SHZNFWHNUMFDFF-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](Cc1ccno1)CC2 ZINC000334348288 135366978 /nfs/dbraw/zinc/36/69/78/135366978.db2.gz SHZNFWHNUMFDFF-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO c1ccc(N2CCC=C(c3ccncc3)C2)[nH+]c1 ZINC000334379857 135379346 /nfs/dbraw/zinc/37/93/46/135379346.db2.gz ZBUIZFRTPUWEQC-UHFFFAOYSA-N 1 2 237.306 2.770 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccnc(C)n1)C2 ZINC000334415490 135394574 /nfs/dbraw/zinc/39/45/74/135394574.db2.gz PQUDTQHKTOSRNZ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1ccnc(C)n1)C2 ZINC000334415490 135394576 /nfs/dbraw/zinc/39/45/76/135394576.db2.gz PQUDTQHKTOSRNZ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO FC(F)[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000334426159 135397770 /nfs/dbraw/zinc/39/77/70/135397770.db2.gz YIHIJSHURYZZPL-SECBINFHSA-N 1 2 239.269 2.588 20 0 BFADLO C[C@@H]([NH2+]Cc1c(F)cccc1F)c1cn[nH]c1 ZINC000230937230 135568102 /nfs/dbraw/zinc/56/81/02/135568102.db2.gz ZCWBEKSMKRDQIN-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO CC[C@@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000343812575 135700160 /nfs/dbraw/zinc/70/01/60/135700160.db2.gz KSOCGOVVSFYZBX-GFCCVEGCSA-N 1 2 219.332 2.802 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ccc(F)cn2)o1 ZINC000344874019 135804715 /nfs/dbraw/zinc/80/47/15/135804715.db2.gz BMSHKIKUTKGBKB-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2CC[C@@H](C)C2)cc(C)[nH+]1 ZINC000335074679 135887918 /nfs/dbraw/zinc/88/79/18/135887918.db2.gz PJQJKRDVAGUTCS-YGRLFVJLSA-N 1 2 246.354 2.751 20 0 BFADLO CC1(C)CCC[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347708901 136002492 /nfs/dbraw/zinc/00/24/92/136002492.db2.gz SUZCAXNKCIIOTJ-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000347708901 136002493 /nfs/dbraw/zinc/00/24/93/136002493.db2.gz SUZCAXNKCIIOTJ-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+]1Cc1ccn(C(F)F)n1 ZINC000347697105 136006615 /nfs/dbraw/zinc/00/66/15/136006615.db2.gz HPTBYFBNNUXJAC-JTQLQIEISA-N 1 2 229.274 2.509 20 0 BFADLO CC(C)[C@@H]1CC[N@H+]1Cc1ccn(C(F)F)n1 ZINC000347697105 136006616 /nfs/dbraw/zinc/00/66/16/136006616.db2.gz HPTBYFBNNUXJAC-JTQLQIEISA-N 1 2 229.274 2.509 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347947093 136019456 /nfs/dbraw/zinc/01/94/56/136019456.db2.gz ZEJJYRBBWUOPOP-MISXGVKJSA-N 1 2 247.342 2.509 20 0 BFADLO Fc1cncc(C[N@@H+]2CCCc3occc3C2)c1 ZINC000335306174 136022462 /nfs/dbraw/zinc/02/24/62/136022462.db2.gz JFWJEKPCNDXUEW-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1cncc(C[N@H+]2CCCc3occc3C2)c1 ZINC000335306174 136022463 /nfs/dbraw/zinc/02/24/63/136022463.db2.gz JFWJEKPCNDXUEW-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@H](C)C1 ZINC000335355502 136070976 /nfs/dbraw/zinc/07/09/76/136070976.db2.gz JFDVHSHPWVLULD-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@H](C)C1 ZINC000335355502 136070977 /nfs/dbraw/zinc/07/09/77/136070977.db2.gz JFDVHSHPWVLULD-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H]([NH2+]CCF)c1ncc(-c2ccccc2)o1 ZINC000348359593 136072709 /nfs/dbraw/zinc/07/27/09/136072709.db2.gz OTZRZSIPWSOWFN-SNVBAGLBSA-N 1 2 234.274 2.962 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000335398333 136093381 /nfs/dbraw/zinc/09/33/81/136093381.db2.gz JTVGQBPNVCWMPH-LLVKDONJSA-N 1 2 237.322 2.542 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000335398333 136093382 /nfs/dbraw/zinc/09/33/82/136093382.db2.gz JTVGQBPNVCWMPH-LLVKDONJSA-N 1 2 237.322 2.542 20 0 BFADLO Cc1cc(C)c(NC(=O)NC[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000335584933 136101608 /nfs/dbraw/zinc/10/16/08/136101608.db2.gz YHUMNEHYDGWSJI-PRHODGIISA-N 1 2 247.342 2.784 20 0 BFADLO Cc1cc(C)c(NC(=O)NC[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000335584929 136101716 /nfs/dbraw/zinc/10/17/16/136101716.db2.gz YHUMNEHYDGWSJI-PELKAZGASA-N 1 2 247.342 2.784 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000335587012 136102202 /nfs/dbraw/zinc/10/22/02/136102202.db2.gz YVCHDDVTINQOOD-LLVKDONJSA-N 1 2 247.342 2.927 20 0 BFADLO CS[C@H]1CC[C@@H]1Nc1c[nH+]cc(C)c1 ZINC000335560820 136105837 /nfs/dbraw/zinc/10/58/37/136105837.db2.gz ODWZNAZIRNXHNC-QWRGUYRKSA-N 1 2 208.330 2.696 20 0 BFADLO CS[C@@H]1CC[C@@H]1Nc1c[nH+]cc(C)c1 ZINC000335560821 136105875 /nfs/dbraw/zinc/10/58/75/136105875.db2.gz ODWZNAZIRNXHNC-WDEREUQCSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1cc(N[C@@H](C)c2cn[nH]c2)nc(C(C)C)[nH+]1 ZINC000229871408 397773904 /nfs/dbraw/zinc/77/39/04/397773904.db2.gz CNIFOLKYFBWBSO-JTQLQIEISA-N 1 2 245.330 2.805 20 0 BFADLO FC(F)C[NH2+]Cc1cccc(Cl)c1 ZINC000053155959 397785100 /nfs/dbraw/zinc/78/51/00/397785100.db2.gz AEDFMEGLCSIOGW-UHFFFAOYSA-N 1 2 205.635 2.695 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cc(C)no1 ZINC000190772419 397886918 /nfs/dbraw/zinc/88/69/18/397886918.db2.gz UYBZVFMHWFLHTN-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cc(C)on1 ZINC000190774480 397887051 /nfs/dbraw/zinc/88/70/51/397887051.db2.gz IEGZVTBEJSPSGF-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO c1sc2ccccc2c1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000367849687 397930862 /nfs/dbraw/zinc/93/08/62/397930862.db2.gz YYOYAPRKCNUPTE-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO c1sc2ccccc2c1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000367849687 397930865 /nfs/dbraw/zinc/93/08/65/397930865.db2.gz YYOYAPRKCNUPTE-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000360055006 397960840 /nfs/dbraw/zinc/96/08/40/397960840.db2.gz NSBZCDWFNCLGJM-LLVKDONJSA-N 1 2 219.332 2.800 20 0 BFADLO CCCCN(CCOC)c1cc[nH+]c(C2CC2)n1 ZINC000110589077 397904537 /nfs/dbraw/zinc/90/45/37/397904537.db2.gz ZLBLHZPQLLCIQV-UHFFFAOYSA-N 1 2 249.358 2.607 20 0 BFADLO FC(F)C[N@@H+]1CCCc2ccccc2CC1 ZINC000650101237 397921692 /nfs/dbraw/zinc/92/16/92/397921692.db2.gz DWICDOVJIVRUOO-UHFFFAOYSA-N 1 2 225.282 2.742 20 0 BFADLO FC(F)C[N@H+]1CCCc2ccccc2CC1 ZINC000650101237 397921697 /nfs/dbraw/zinc/92/16/97/397921697.db2.gz DWICDOVJIVRUOO-UHFFFAOYSA-N 1 2 225.282 2.742 20 0 BFADLO Cc1cc(NCc2cccc(C(C)C)c2)nc[nH+]1 ZINC000355789109 397923571 /nfs/dbraw/zinc/92/35/71/397923571.db2.gz VDYFPWCPGTVEKP-UHFFFAOYSA-N 1 2 241.338 2.942 20 0 BFADLO FC(F)c1noc(C[N@@H+]2CCC23CCCC3)n1 ZINC000649658408 398027907 /nfs/dbraw/zinc/02/79/07/398027907.db2.gz JRAVKMNKARIPOF-UHFFFAOYSA-N 1 2 243.257 2.526 20 0 BFADLO FC(F)c1noc(C[N@H+]2CCC23CCCC3)n1 ZINC000649658408 398027910 /nfs/dbraw/zinc/02/79/10/398027910.db2.gz JRAVKMNKARIPOF-UHFFFAOYSA-N 1 2 243.257 2.526 20 0 BFADLO CCCC(C)(C)C(=O)Nc1c[nH+]ccc1OC ZINC000649666799 398031125 /nfs/dbraw/zinc/03/11/25/398031125.db2.gz FXZRWHKALDBMQY-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO CC(C)OCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649692855 398040695 /nfs/dbraw/zinc/04/06/95/398040695.db2.gz IOODMIWVWIIQBP-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)OCCC[N@H+]1CCCC(F)(F)C1 ZINC000649692855 398040698 /nfs/dbraw/zinc/04/06/98/398040698.db2.gz IOODMIWVWIIQBP-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC1(C[N@@H+]2CCCC(F)(F)C2)CCC1 ZINC000649695047 398042947 /nfs/dbraw/zinc/04/29/47/398042947.db2.gz FNNWTRGKKQXMTO-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CC1(C[N@H+]2CCCC(F)(F)C2)CCC1 ZINC000649695047 398042949 /nfs/dbraw/zinc/04/29/49/398042949.db2.gz FNNWTRGKKQXMTO-UHFFFAOYSA-N 1 2 203.276 2.908 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cscn2)[C@@H](CC)CO1 ZINC000649721824 398064812 /nfs/dbraw/zinc/06/48/12/398064812.db2.gz CZUAJYRKTUWWJL-NWDGAFQWSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cscn2)[C@@H](CC)CO1 ZINC000649721824 398064816 /nfs/dbraw/zinc/06/48/16/398064816.db2.gz CZUAJYRKTUWWJL-NWDGAFQWSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1F ZINC000649738915 398079749 /nfs/dbraw/zinc/07/97/49/398079749.db2.gz YYUHUOJCTLCORP-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cscn1 ZINC000649715116 398056893 /nfs/dbraw/zinc/05/68/93/398056893.db2.gz TUGVIPMCXZLYGF-NSHDSACASA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cscn1 ZINC000649715116 398056896 /nfs/dbraw/zinc/05/68/96/398056896.db2.gz TUGVIPMCXZLYGF-NSHDSACASA-N 1 2 240.372 2.533 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)c1ccc2c(c1)OCO2 ZINC000073350218 398104486 /nfs/dbraw/zinc/10/44/86/398104486.db2.gz NTIDTEIGAXJZMN-SNVBAGLBSA-N 1 2 242.278 2.983 20 0 BFADLO CCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC000649819023 398121546 /nfs/dbraw/zinc/12/15/46/398121546.db2.gz JCGSKIWRNNRIGN-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO Cc1cccc([C@H]([NH2+]Cc2c[nH]nn2)C(C)C)c1 ZINC000528770278 398125915 /nfs/dbraw/zinc/12/59/15/398125915.db2.gz QCTCFHVXDQSMIE-CQSZACIVSA-N 1 2 244.342 2.600 20 0 BFADLO Cc1cccc([C@H]([NH2+]Cc2cn[nH]n2)C(C)C)c1 ZINC000528770278 398125919 /nfs/dbraw/zinc/12/59/19/398125919.db2.gz QCTCFHVXDQSMIE-CQSZACIVSA-N 1 2 244.342 2.600 20 0 BFADLO Cc1cccc([C@@H]([NH2+]Cc2c[nH]nn2)C(C)C)c1 ZINC000528770275 398126160 /nfs/dbraw/zinc/12/61/60/398126160.db2.gz QCTCFHVXDQSMIE-AWEZNQCLSA-N 1 2 244.342 2.600 20 0 BFADLO Cc1cccc([C@@H]([NH2+]Cc2cn[nH]n2)C(C)C)c1 ZINC000528770275 398126164 /nfs/dbraw/zinc/12/61/64/398126164.db2.gz QCTCFHVXDQSMIE-AWEZNQCLSA-N 1 2 244.342 2.600 20 0 BFADLO CS[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000295050368 398132167 /nfs/dbraw/zinc/13/21/67/398132167.db2.gz ULPBQBXJSKULQU-VIFPVBQESA-N 1 2 233.340 2.505 20 0 BFADLO CCCn1cc(C[N@H+](C)Cc2ccco2)cn1 ZINC000162158295 398132732 /nfs/dbraw/zinc/13/27/32/398132732.db2.gz GEGSMDHGNZGIJZ-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCCn1cc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000162158295 398132735 /nfs/dbraw/zinc/13/27/35/398132735.db2.gz GEGSMDHGNZGIJZ-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCC[C@@H]([NH2+]Cc1n[nH]cc1C)c1ccccn1 ZINC000685615200 487564418 /nfs/dbraw/zinc/56/44/18/487564418.db2.gz XMSUAKWNMYUTSR-GFCCVEGCSA-N 1 2 244.342 2.744 20 0 BFADLO Fc1ccc(C[NH+]2CC(C(F)F)C2)cc1F ZINC000680364088 487575399 /nfs/dbraw/zinc/57/53/99/487575399.db2.gz XRTPFADQPSNOMP-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO CC(C)OCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337522415 167213668 /nfs/dbraw/zinc/21/36/68/167213668.db2.gz QCRVKRZDNWICOO-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337522415 167213670 /nfs/dbraw/zinc/21/36/70/167213670.db2.gz QCRVKRZDNWICOO-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO Cc1ccc(C[N@H+](Cc2n[nH]cc2C)C2CC2)o1 ZINC000685833607 487581558 /nfs/dbraw/zinc/58/15/58/487581558.db2.gz YQQMZQWELKJGPT-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1ccc(C[N@@H+](Cc2n[nH]cc2C)C2CC2)o1 ZINC000685833607 487581562 /nfs/dbraw/zinc/58/15/62/487581562.db2.gz YQQMZQWELKJGPT-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1ccc(C[N@H+](Cc2[nH]ncc2C)C2CC2)o1 ZINC000685833607 487581568 /nfs/dbraw/zinc/58/15/68/487581568.db2.gz YQQMZQWELKJGPT-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1ccc(C[N@@H+](Cc2[nH]ncc2C)C2CC2)o1 ZINC000685833607 487581573 /nfs/dbraw/zinc/58/15/73/487581573.db2.gz YQQMZQWELKJGPT-UHFFFAOYSA-N 1 2 245.326 2.784 20 0 BFADLO Cc1cn[nH]c1C[N@H+](Cc1ccccn1)C(C)C ZINC000685834591 487583295 /nfs/dbraw/zinc/58/32/95/487583295.db2.gz FQOGCPVWUUIKKR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](Cc1ccccn1)C(C)C ZINC000685834591 487583300 /nfs/dbraw/zinc/58/33/00/487583300.db2.gz FQOGCPVWUUIKKR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1c[nH]nc1C[N@H+](Cc1ccccn1)C(C)C ZINC000685834591 487583305 /nfs/dbraw/zinc/58/33/05/487583305.db2.gz FQOGCPVWUUIKKR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000685834591 487583309 /nfs/dbraw/zinc/58/33/09/487583309.db2.gz FQOGCPVWUUIKKR-UHFFFAOYSA-N 1 2 244.342 2.524 20 0 BFADLO CCN(Cc1[nH+]ccn1C(C)C)CC(F)F ZINC000680430779 487592845 /nfs/dbraw/zinc/59/28/45/487592845.db2.gz LAPCKVFSPXYZQT-UHFFFAOYSA-N 1 2 231.290 2.551 20 0 BFADLO FC(F)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000685918253 487596460 /nfs/dbraw/zinc/59/64/60/487596460.db2.gz IPUIMIBLPINRQE-SECBINFHSA-N 1 2 249.264 2.721 20 0 BFADLO FC(F)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000685919308 487597559 /nfs/dbraw/zinc/59/75/59/487597559.db2.gz KRSFMYSPTZYMLM-MRVPVSSYSA-N 1 2 237.253 2.654 20 0 BFADLO CCOC[C@@H](C)Nc1[nH+]cccc1SC ZINC000651971381 409943247 /nfs/dbraw/zinc/94/32/47/409943247.db2.gz CBFPIADWQAUHOE-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CSC[C@H]1C ZINC000651971911 409945619 /nfs/dbraw/zinc/94/56/19/409945619.db2.gz ZVQWOLJXSHJUON-RKDXNWHRSA-N 1 2 240.397 2.967 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C(F)F)cc1F ZINC000389901075 410019621 /nfs/dbraw/zinc/01/96/21/410019621.db2.gz BZVZCHWXFBVIEM-MRVPVSSYSA-N 1 2 217.234 2.877 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CCSC1 ZINC000651979560 410114802 /nfs/dbraw/zinc/11/48/02/410114802.db2.gz ZGSFUDYDOFPOAX-JTQLQIEISA-N 1 2 208.330 2.561 20 0 BFADLO CCC(CC)[C@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403530 410208207 /nfs/dbraw/zinc/20/82/07/410208207.db2.gz VYMOJDOQKXOXKU-VHSXEESVSA-N 1 2 237.347 2.659 20 0 BFADLO CC1(C)[C@H](CNc2cccc[nH+]2)C1(F)F ZINC000664526187 410594394 /nfs/dbraw/zinc/59/43/94/410594394.db2.gz DBDQRKOVSLLXJM-QMMMGPOBSA-N 1 2 212.243 2.785 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc[nH]n1 ZINC000679583280 487618917 /nfs/dbraw/zinc/61/89/17/487618917.db2.gz DCPDCBMLPBUUNQ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc[nH]n1 ZINC000679583280 487618919 /nfs/dbraw/zinc/61/89/19/487618919.db2.gz DCPDCBMLPBUUNQ-RKDXNWHRSA-N 1 2 247.264 2.573 20 0 BFADLO CC(C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293054025 167035973 /nfs/dbraw/zinc/03/59/73/167035973.db2.gz HZLPZTDITXTGKE-UHFFFAOYSA-N 1 2 227.311 2.596 20 0 BFADLO CC(C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293054025 167035975 /nfs/dbraw/zinc/03/59/75/167035975.db2.gz HZLPZTDITXTGKE-UHFFFAOYSA-N 1 2 227.311 2.596 20 0 BFADLO CC(C)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000133026074 167147317 /nfs/dbraw/zinc/14/73/17/167147317.db2.gz UNPMXFGHRGKOHG-UHFFFAOYSA-N 1 2 215.300 2.907 20 0 BFADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000093773349 167167726 /nfs/dbraw/zinc/16/77/26/167167726.db2.gz RWJAMSYCMGAAGO-SNVBAGLBSA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000093773349 167167731 /nfs/dbraw/zinc/16/77/31/167167731.db2.gz RWJAMSYCMGAAGO-SNVBAGLBSA-N 1 2 241.356 2.520 20 0 BFADLO COc1ccc([C@H](C)[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000179937524 410910033 /nfs/dbraw/zinc/91/00/33/410910033.db2.gz NLTUICGSZAHFTQ-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO COc1ccc([C@H](C)[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000179937524 410910040 /nfs/dbraw/zinc/91/00/40/410910040.db2.gz NLTUICGSZAHFTQ-NSHDSACASA-N 1 2 245.326 2.611 20 0 BFADLO CC(C)OCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337522414 167212017 /nfs/dbraw/zinc/21/20/17/167212017.db2.gz QCRVKRZDNWICOO-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337522414 167212019 /nfs/dbraw/zinc/21/20/19/167212019.db2.gz QCRVKRZDNWICOO-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000354341932 167213695 /nfs/dbraw/zinc/21/36/95/167213695.db2.gz SXWDDBQYIURJKA-UHFFFAOYSA-N 1 2 249.358 2.605 20 0 BFADLO CC(C)OCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000168655846 167245715 /nfs/dbraw/zinc/24/57/15/167245715.db2.gz DLZHFMJXAOXBAF-UHFFFAOYSA-N 1 2 248.248 2.937 20 0 BFADLO CC(C)Oc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000236720478 167294040 /nfs/dbraw/zinc/29/40/40/167294040.db2.gz LJQAJRAYIGBMII-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO CC(C)Oc1cccc(OCc2c[nH+]cn2C)c1 ZINC000339289598 167308176 /nfs/dbraw/zinc/30/81/76/167308176.db2.gz DZTQWSUSQHEYEG-UHFFFAOYSA-N 1 2 246.310 2.786 20 0 BFADLO CC(C)[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000308502576 167384622 /nfs/dbraw/zinc/38/46/22/167384622.db2.gz HJEBQCLXEPXKQP-APPZFPTMSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC000651373004 410958081 /nfs/dbraw/zinc/95/80/81/410958081.db2.gz CNGJINSMVZZTLD-SNVBAGLBSA-N 1 2 219.332 2.869 20 0 BFADLO C[C@@H]1C[C@H](N[C@H]2CCCC2(F)F)c2[nH+]ccn21 ZINC000398127824 410944723 /nfs/dbraw/zinc/94/47/23/410944723.db2.gz SCBCVSGKBXIFGR-UTLUCORTSA-N 1 2 241.285 2.666 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ccoc2)o1 ZINC000651462435 411045282 /nfs/dbraw/zinc/04/52/82/411045282.db2.gz FMCXLUGHJUBELR-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO CN(CCC(C)(C)C)c1nc[nH+]c(N)c1Cl ZINC000399903681 411071261 /nfs/dbraw/zinc/07/12/61/411071261.db2.gz VDSFYFGXEJCPCY-UHFFFAOYSA-N 1 2 242.754 2.585 20 0 BFADLO CN(CCC(C)(C)C)c1[nH+]cnc(N)c1Cl ZINC000399903681 411071264 /nfs/dbraw/zinc/07/12/64/411071264.db2.gz VDSFYFGXEJCPCY-UHFFFAOYSA-N 1 2 242.754 2.585 20 0 BFADLO CCC(C)(C)OCC[NH2+][C@H](C)c1cn[nH]c1C ZINC000651498979 411073819 /nfs/dbraw/zinc/07/38/19/411073819.db2.gz SYWKSNKIKITQKK-SNVBAGLBSA-N 1 2 239.363 2.574 20 0 BFADLO OCc1cc[nH+]c(N2CCC[C@@H]2C2CCCC2)c1 ZINC000045086275 411144172 /nfs/dbraw/zinc/14/41/72/411144172.db2.gz RFUNCJYOTPLWMT-CQSZACIVSA-N 1 2 246.354 2.733 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc2cnccc2o1)C(F)F ZINC000651817922 411145374 /nfs/dbraw/zinc/14/53/74/411145374.db2.gz DJHBEEKAJJUIEC-SNVBAGLBSA-N 1 2 240.253 2.961 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@H](C)C2)c1 ZINC000652068510 411104678 /nfs/dbraw/zinc/10/46/78/411104678.db2.gz FYQSDYDZJKZHOO-JQWIXIFHSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H]2C)c1 ZINC000652068566 411104680 /nfs/dbraw/zinc/10/46/80/411104680.db2.gz HMFDVENCHUQAGO-CMPLNLGQSA-N 1 2 220.316 2.829 20 0 BFADLO CC[C@H](C)CNc1cc(COC)cc[nH+]1 ZINC000652068019 411104991 /nfs/dbraw/zinc/10/49/91/411104991.db2.gz PHWPNBHIFRJGGZ-JTQLQIEISA-N 1 2 208.305 2.686 20 0 BFADLO COCc1cc[nH+]c(NCc2cnccc2C)c1 ZINC000652067857 411105565 /nfs/dbraw/zinc/10/55/65/411105565.db2.gz JSWBQJUQAYVQFQ-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO Cn1nc(C[N@@H+]2CCC[C@@H](F)C2)c2ccccc21 ZINC000652078024 411109206 /nfs/dbraw/zinc/10/92/06/411109206.db2.gz ZZPZOSHLAGNDOD-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1nc(C[N@H+]2CCC[C@@H](F)C2)c2ccccc21 ZINC000652078024 411109209 /nfs/dbraw/zinc/10/92/09/411109209.db2.gz ZZPZOSHLAGNDOD-LLVKDONJSA-N 1 2 247.317 2.507 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2cc(C)no2)n1 ZINC000184212615 411182203 /nfs/dbraw/zinc/18/22/03/411182203.db2.gz UNYZIHNZCHNMET-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000354551838 411182963 /nfs/dbraw/zinc/18/29/63/411182963.db2.gz YZPYROSXLFTMQQ-CHWSQXEVSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC=CCC1 ZINC000656127669 411183385 /nfs/dbraw/zinc/18/33/85/411183385.db2.gz VCBRCSDHUKBXBH-LLVKDONJSA-N 1 2 203.289 2.614 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)no1)C2 ZINC000653834122 411196676 /nfs/dbraw/zinc/19/66/76/411196676.db2.gz GWSFCNNDWKOBNY-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1cc(C)no1)C2 ZINC000653834122 411196679 /nfs/dbraw/zinc/19/66/79/411196679.db2.gz GWSFCNNDWKOBNY-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)o1 ZINC000658097473 411244843 /nfs/dbraw/zinc/24/48/43/411244843.db2.gz IAMVUTQVTNFZNI-MIMYLULJSA-N 1 2 246.314 2.536 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCSCC1)C(F)(F)F ZINC000658013927 411197614 /nfs/dbraw/zinc/19/76/14/411197614.db2.gz QMRKFMPWQORQSY-HTQZYQBOSA-N 1 2 227.295 2.813 20 0 BFADLO Cc1nc(N[C@H](C2CC2)[C@H]2CCCCO2)cc[nH+]1 ZINC000656209909 411210546 /nfs/dbraw/zinc/21/05/46/411210546.db2.gz YYONFSWIUMYJQJ-TZMCWYRMSA-N 1 2 247.342 2.545 20 0 BFADLO c1ccc(N2CCC[C@H](OC3CCC3)C2)[nH+]c1 ZINC000656218299 411212143 /nfs/dbraw/zinc/21/21/43/411212143.db2.gz XRKSWIFDGRLELK-ZDUSSCGKSA-N 1 2 232.327 2.620 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@H]1CCCCO1 ZINC000656227366 411213234 /nfs/dbraw/zinc/21/32/34/411213234.db2.gz LGLXANBQRGQVCG-NWDGAFQWSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@@H]1CCCCO1 ZINC000656227363 411213249 /nfs/dbraw/zinc/21/32/49/411213249.db2.gz LGLXANBQRGQVCG-NEPJUHHUSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C)n1)[C@H]1CCCCO1 ZINC000656228446 411213892 /nfs/dbraw/zinc/21/38/92/411213892.db2.gz QECZEIVKKWEQAZ-VXGBXAGGSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)[C@H]1CCCCO1 ZINC000656228444 411213926 /nfs/dbraw/zinc/21/39/26/411213926.db2.gz QECZEIVKKWEQAZ-NWDGAFQWSA-N 1 2 235.331 2.545 20 0 BFADLO Cc1nc(NC[C@H]2CCC3(CCCC3)O2)cc[nH+]1 ZINC000656225775 411215272 /nfs/dbraw/zinc/21/52/72/411215272.db2.gz CDWYUVYALYUWNL-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO CC(C)(NC(=O)C1CCCCCC1)c1[nH]cc[nH+]1 ZINC000652410890 411233074 /nfs/dbraw/zinc/23/30/74/411233074.db2.gz HGJZXYPLKFLUDC-UHFFFAOYSA-N 1 2 249.358 2.731 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658152054 411267488 /nfs/dbraw/zinc/26/74/88/411267488.db2.gz OTQBSWGNGPGAPP-PSASIEDQSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1ccc(NCC2CCSCC2)c[nH+]1 ZINC000653464190 411280731 /nfs/dbraw/zinc/28/07/31/411280731.db2.gz OYSAJCIIDNNIGD-UHFFFAOYSA-N 1 2 222.357 2.945 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CCCCO2)c[nH+]1 ZINC000653466119 411284482 /nfs/dbraw/zinc/28/44/82/411284482.db2.gz YTVVWSORRPCHDN-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO Cc1ccc(NCc2cnc(C3CC3)o2)c[nH+]1 ZINC000653466776 411286590 /nfs/dbraw/zinc/28/65/90/411286590.db2.gz VHGTYDBXKHYECC-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO CO[C@H](CNc1ccc(C)[nH+]c1)CC(C)C ZINC000653469122 411289856 /nfs/dbraw/zinc/28/98/56/411289856.db2.gz PGDLYNVKIRSUPM-ZDUSSCGKSA-N 1 2 222.332 2.863 20 0 BFADLO CO[C@@](C)(CNc1ccc(C)[nH+]c1)C1CC1 ZINC000653469054 411290053 /nfs/dbraw/zinc/29/00/53/411290053.db2.gz MUCSEVISSRDCCW-ZDUSSCGKSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000659814632 411301140 /nfs/dbraw/zinc/30/11/40/411301140.db2.gz TXRDAUMJPFODAJ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)co1 ZINC000659814632 411301143 /nfs/dbraw/zinc/30/11/43/411301143.db2.gz TXRDAUMJPFODAJ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO FC(F)C1C[NH+](Cc2cnc(C3CC3)s2)C1 ZINC000656690078 411330821 /nfs/dbraw/zinc/33/08/21/411330821.db2.gz GWSVPPADHQQTHV-UHFFFAOYSA-N 1 2 244.310 2.717 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccnc2)c(C)o1 ZINC000660140859 411256159 /nfs/dbraw/zinc/25/61/59/411256159.db2.gz RDNTVDTXBBHARK-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccnc2)c(C)o1 ZINC000660140859 411256161 /nfs/dbraw/zinc/25/61/61/411256161.db2.gz RDNTVDTXBBHARK-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO CC[N@H+](CC(F)F)C[C@@H](OC)C1CCCC1 ZINC000660277047 411362010 /nfs/dbraw/zinc/36/20/10/411362010.db2.gz UGUAIHJIICEACO-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@@H](OC)C1CCCC1 ZINC000660277047 411362013 /nfs/dbraw/zinc/36/20/13/411362013.db2.gz UGUAIHJIICEACO-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[N@H+](CC(F)F)C[C@H](OC)C1CCCC1 ZINC000660277055 411362365 /nfs/dbraw/zinc/36/23/65/411362365.db2.gz UGUAIHJIICEACO-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@H](OC)C1CCCC1 ZINC000660277055 411362366 /nfs/dbraw/zinc/36/23/66/411362366.db2.gz UGUAIHJIICEACO-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2)co1 ZINC000659849927 411342314 /nfs/dbraw/zinc/34/23/14/411342314.db2.gz ULSCOYZAADQHPR-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2)co1 ZINC000659849927 411342317 /nfs/dbraw/zinc/34/23/17/411342317.db2.gz ULSCOYZAADQHPR-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC1(C)[C@@H]2C[N@@H+](Cc3csc(Cl)n3)C[C@@H]21 ZINC000294913350 168013572 /nfs/dbraw/zinc/01/35/72/168013572.db2.gz HZRXYWOIVGHLAP-DTORHVGOSA-N 1 2 242.775 2.884 20 0 BFADLO CC1(C)[C@@H]2C[N@H+](Cc3csc(Cl)n3)C[C@@H]21 ZINC000294913350 168013573 /nfs/dbraw/zinc/01/35/73/168013573.db2.gz HZRXYWOIVGHLAP-DTORHVGOSA-N 1 2 242.775 2.884 20 0 BFADLO CC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000309780885 168048992 /nfs/dbraw/zinc/04/89/92/168048992.db2.gz MVUDBPUGQDBBCM-UHFFFAOYSA-N 1 2 213.284 2.842 20 0 BFADLO Cc1ccc(NC(=O)N2CCC=C(C)C2)c(C)[nH+]1 ZINC000280603540 168095025 /nfs/dbraw/zinc/09/50/25/168095025.db2.gz FEZRKXIFNNVZLM-UHFFFAOYSA-N 1 2 245.326 2.882 20 0 BFADLO CC1=CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335537664 168099021 /nfs/dbraw/zinc/09/90/21/168099021.db2.gz OGAYOXTVJSGCMF-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335537664 168099022 /nfs/dbraw/zinc/09/90/22/168099022.db2.gz OGAYOXTVJSGCMF-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000280926621 168100891 /nfs/dbraw/zinc/10/08/91/168100891.db2.gz UTFUGSRVXVFFAW-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC1=CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000280926621 168100895 /nfs/dbraw/zinc/10/08/95/168100895.db2.gz UTFUGSRVXVFFAW-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO Cc1nc(C[N@H+]2CC=C(C)CC2)cs1 ZINC000270334096 168116257 /nfs/dbraw/zinc/11/62/57/168116257.db2.gz MJTCXEXODZYNQR-UHFFFAOYSA-N 1 2 208.330 2.604 20 0 BFADLO Cc1nc(C[N@@H+]2CC=C(C)CC2)cs1 ZINC000270334096 168116262 /nfs/dbraw/zinc/11/62/62/168116262.db2.gz MJTCXEXODZYNQR-UHFFFAOYSA-N 1 2 208.330 2.604 20 0 BFADLO CC1=CCN(c2[nH+]c3cccc(F)c3n2C)CC1 ZINC000337012789 168118189 /nfs/dbraw/zinc/11/81/89/168118189.db2.gz IJTXTDFVQGXIFC-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336599608 168128420 /nfs/dbraw/zinc/12/84/20/168128420.db2.gz RWEGZJGYCULPOY-JTQLQIEISA-N 1 2 249.358 2.765 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000336599608 168128421 /nfs/dbraw/zinc/12/84/21/168128421.db2.gz RWEGZJGYCULPOY-JTQLQIEISA-N 1 2 249.358 2.765 20 0 BFADLO CCC(=O)CC[N@H+](C)Cc1ncc(CC)s1 ZINC000190262996 168200919 /nfs/dbraw/zinc/20/09/19/168200919.db2.gz IMUHGLPGBYPAMT-UHFFFAOYSA-N 1 2 240.372 2.507 20 0 BFADLO CCC(=O)CC[N@@H+](C)Cc1ncc(CC)s1 ZINC000190262996 168200921 /nfs/dbraw/zinc/20/09/21/168200921.db2.gz IMUHGLPGBYPAMT-UHFFFAOYSA-N 1 2 240.372 2.507 20 0 BFADLO CCC(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000074985833 168246238 /nfs/dbraw/zinc/24/62/38/168246238.db2.gz SAFZSWYDOZDRJJ-UHFFFAOYSA-N 1 2 243.310 2.799 20 0 BFADLO CCC(C)(C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000336688845 168287504 /nfs/dbraw/zinc/28/75/04/168287504.db2.gz YWLVFKJAOPYYTD-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CCC(C)(C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000336688845 168287506 /nfs/dbraw/zinc/28/75/06/168287506.db2.gz YWLVFKJAOPYYTD-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cc(C2CC2)no1 ZINC000659815125 411461133 /nfs/dbraw/zinc/46/11/33/411461133.db2.gz AVZQECUPTDUFFQ-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cc(C2CC2)no1 ZINC000659815125 411461135 /nfs/dbraw/zinc/46/11/35/411461135.db2.gz AVZQECUPTDUFFQ-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO O[C@H](CC1CCCC1)C[N@@H+]1CCCC(F)(F)C1 ZINC000405114444 411417444 /nfs/dbraw/zinc/41/74/44/411417444.db2.gz QKYZAPVZCQHEEO-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H](CC1CCCC1)C[N@H+]1CCCC(F)(F)C1 ZINC000405114444 411417448 /nfs/dbraw/zinc/41/74/48/411417448.db2.gz QKYZAPVZCQHEEO-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO CCc1nnc(C[N@H+](C)C2CC(C)(C)C2)s1 ZINC000657245099 411425828 /nfs/dbraw/zinc/42/58/28/411425828.db2.gz XUZXVWFXAGLGCT-UHFFFAOYSA-N 1 2 239.388 2.721 20 0 BFADLO CCc1nnc(C[N@@H+](C)C2CC(C)(C)C2)s1 ZINC000657245099 411425832 /nfs/dbraw/zinc/42/58/32/411425832.db2.gz XUZXVWFXAGLGCT-UHFFFAOYSA-N 1 2 239.388 2.721 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccco1 ZINC000271447661 411430516 /nfs/dbraw/zinc/43/05/16/411430516.db2.gz DADASVWLYMIRHN-GXSJLCMTSA-N 1 2 231.299 2.731 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cc(C)nc(C)n1 ZINC000659870753 411483730 /nfs/dbraw/zinc/48/37/30/411483730.db2.gz MCBDLFXTLUXLFU-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cc(C)nc(C)n1 ZINC000659870753 411483732 /nfs/dbraw/zinc/48/37/32/411483732.db2.gz MCBDLFXTLUXLFU-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659878184 411488132 /nfs/dbraw/zinc/48/81/32/411488132.db2.gz JCAXNASKFONNCD-KXUCPTDWSA-N 1 2 203.276 2.620 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659878184 411488134 /nfs/dbraw/zinc/48/81/34/411488134.db2.gz JCAXNASKFONNCD-KXUCPTDWSA-N 1 2 203.276 2.620 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3cccc(C)c3C2)co1 ZINC000660416872 411488791 /nfs/dbraw/zinc/48/87/91/411488791.db2.gz YFMCOKGWEBEURU-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3cccc(C)c3C2)co1 ZINC000660416872 411488795 /nfs/dbraw/zinc/48/87/95/411488795.db2.gz YFMCOKGWEBEURU-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO COCC[N@H+](CCCC1CCC1)CC(F)F ZINC000659879750 411488918 /nfs/dbraw/zinc/48/89/18/411488918.db2.gz WSDXJVDABSCUKH-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COCC[N@@H+](CCCC1CCC1)CC(F)F ZINC000659879750 411488921 /nfs/dbraw/zinc/48/89/21/411488921.db2.gz WSDXJVDABSCUKH-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COc1cc(C[NH+]2Cc3ccccc3C2)sn1 ZINC000659904690 411492564 /nfs/dbraw/zinc/49/25/64/411492564.db2.gz PNNHSLDHENTAKR-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO Cc1c[nH]c(CNc2cccc(OCCF)c2)[nH+]1 ZINC000657411751 411498208 /nfs/dbraw/zinc/49/82/08/411498208.db2.gz OTNPPJMOTMBTBH-UHFFFAOYSA-N 1 2 249.289 2.679 20 0 BFADLO CCCCn1ncc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657426547 411503802 /nfs/dbraw/zinc/50/38/02/411503802.db2.gz HNMOZDSNAOYQLO-UHFFFAOYSA-N 1 2 247.346 2.635 20 0 BFADLO CC[C@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000657432461 411506356 /nfs/dbraw/zinc/50/63/56/411506356.db2.gz ODBNHSJXZZRLCB-KGLIPLIRSA-N 1 2 246.354 2.940 20 0 BFADLO OCCC[N@H+](CC1CC=CC1)c1ccccc1 ZINC000659995031 411522761 /nfs/dbraw/zinc/52/27/61/411522761.db2.gz XAIMCNUJNPKDEV-UHFFFAOYSA-N 1 2 231.339 2.842 20 0 BFADLO OCCC[N@@H+](CC1CC=CC1)c1ccccc1 ZINC000659995031 411522763 /nfs/dbraw/zinc/52/27/63/411522763.db2.gz XAIMCNUJNPKDEV-UHFFFAOYSA-N 1 2 231.339 2.842 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccn2)c(C)o1 ZINC000660139924 411544184 /nfs/dbraw/zinc/54/41/84/411544184.db2.gz HXLYRMNPHXSWJN-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccn2)c(C)o1 ZINC000660139924 411544186 /nfs/dbraw/zinc/54/41/86/411544186.db2.gz HXLYRMNPHXSWJN-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO CC(C)C[NH2+][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655853374 411538285 /nfs/dbraw/zinc/53/82/85/411538285.db2.gz VORBFWLFXJXHQO-UWVGGRQHSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccc(O)c2)c(C)o1 ZINC000660192029 411552648 /nfs/dbraw/zinc/55/26/48/411552648.db2.gz PRCARDYEAZBCDL-SECBINFHSA-N 1 2 246.310 2.848 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2c(C)noc2C)c(C)o1 ZINC000660196140 411553105 /nfs/dbraw/zinc/55/31/05/411553105.db2.gz JWSHQYJXDHHFNS-ZETCQYMHSA-N 1 2 249.314 2.747 20 0 BFADLO FC1=CCC[N@H+](CCOCc2ccccc2)C1 ZINC000660166918 411550352 /nfs/dbraw/zinc/55/03/52/411550352.db2.gz IULQRLRDGWWFDF-UHFFFAOYSA-N 1 2 235.302 2.762 20 0 BFADLO FC1=CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000660166918 411550354 /nfs/dbraw/zinc/55/03/54/411550354.db2.gz IULQRLRDGWWFDF-UHFFFAOYSA-N 1 2 235.302 2.762 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000072582674 170215795 /nfs/dbraw/zinc/21/57/95/170215795.db2.gz BDYJZXYRWYJCNK-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000072582674 170215796 /nfs/dbraw/zinc/21/57/96/170215796.db2.gz BDYJZXYRWYJCNK-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000070378436 170216081 /nfs/dbraw/zinc/21/60/81/170216081.db2.gz CZFCGSHSOCXMTO-GFCCVEGCSA-N 1 2 247.338 2.775 20 0 BFADLO CCOC(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000070378436 170216082 /nfs/dbraw/zinc/21/60/82/170216082.db2.gz CZFCGSHSOCXMTO-GFCCVEGCSA-N 1 2 247.338 2.775 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037394445 170225967 /nfs/dbraw/zinc/22/59/67/170225967.db2.gz DHNICNMMQYCIGG-CQSZACIVSA-N 1 2 235.327 2.536 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181770922 170226393 /nfs/dbraw/zinc/22/63/93/170226393.db2.gz OPBBTYZYJJOBDJ-LBPRGKRZSA-N 1 2 249.354 2.505 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000353611014 170247717 /nfs/dbraw/zinc/24/77/17/170247717.db2.gz ZFYMMPLHQCUQEG-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000353611014 170247718 /nfs/dbraw/zinc/24/77/18/170247718.db2.gz ZFYMMPLHQCUQEG-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cnccc2C)c(C)o1 ZINC000660243740 411558490 /nfs/dbraw/zinc/55/84/90/411558490.db2.gz ZCCCEUKSNRYRQY-SNVBAGLBSA-N 1 2 245.326 2.846 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1)[C@@H](C)CC ZINC000041118405 170255245 /nfs/dbraw/zinc/25/52/45/170255245.db2.gz CYXSYYPOLKPCCC-JSGCOSHPSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000049368216 170268764 /nfs/dbraw/zinc/26/87/64/170268764.db2.gz XSRYHKYHVXJXTA-NEPJUHHUSA-N 1 2 235.327 2.597 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000049368322 170268796 /nfs/dbraw/zinc/26/87/96/170268796.db2.gz DECFHIAPUFKKQC-GXTWGEPZSA-N 1 2 249.354 2.987 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000037975590 170277452 /nfs/dbraw/zinc/27/74/52/170277452.db2.gz UKJIVKPCDDRTGR-WCQYABFASA-N 1 2 235.327 2.679 20 0 BFADLO CSc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000660323899 411569518 /nfs/dbraw/zinc/56/95/18/411569518.db2.gz UXJLXVAVUZCRTK-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO CSc1cccc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000660323899 411569519 /nfs/dbraw/zinc/56/95/19/411569519.db2.gz UXJLXVAVUZCRTK-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO CCOCC[N@H+](CC)Cc1csc(CC)n1 ZINC000107679101 170395623 /nfs/dbraw/zinc/39/56/23/170395623.db2.gz MBZICSREXCBABR-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CCOCC[N@@H+](CC)Cc1csc(CC)n1 ZINC000107679101 170395624 /nfs/dbraw/zinc/39/56/24/170395624.db2.gz MBZICSREXCBABR-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]CC1(F)CC1 ZINC000657793247 411599032 /nfs/dbraw/zinc/59/90/32/411599032.db2.gz IRZQHHFBSKITJQ-UHFFFAOYSA-N 1 2 209.255 2.760 20 0 BFADLO Cn1ccc(C[NH2+]CC(F)(F)C(C)(C)C)c1 ZINC000657794698 411599492 /nfs/dbraw/zinc/59/94/92/411599492.db2.gz ZXHBCTSHJBMUNM-UHFFFAOYSA-N 1 2 230.302 2.796 20 0 BFADLO CCn1cc(C[NH2+]CC(F)(F)C(C)(C)C)cn1 ZINC000657794627 411599619 /nfs/dbraw/zinc/59/96/19/411599619.db2.gz YSXXRPYMSWXIGS-UHFFFAOYSA-N 1 2 245.317 2.674 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3occc3C2)co1 ZINC000660562516 411600876 /nfs/dbraw/zinc/60/08/76/411600876.db2.gz LPBNWRDXZYFPND-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3occc3C2)co1 ZINC000660562516 411600877 /nfs/dbraw/zinc/60/08/77/411600877.db2.gz LPBNWRDXZYFPND-UHFFFAOYSA-N 1 2 232.283 2.524 20 0 BFADLO CCOc1nnc(C[N@H+](CC)[C@H](C)CC)s1 ZINC000661105241 411707445 /nfs/dbraw/zinc/70/74/45/411707445.db2.gz DWRJYRAFRDNRCI-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO CCOc1nnc(C[N@@H+](CC)[C@H](C)CC)s1 ZINC000661105241 411707448 /nfs/dbraw/zinc/70/74/48/411707448.db2.gz DWRJYRAFRDNRCI-SECBINFHSA-N 1 2 243.376 2.557 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000663464734 411664923 /nfs/dbraw/zinc/66/49/23/411664923.db2.gz YHZOZXXQSJJLOI-UWVGGRQHSA-N 1 2 233.302 2.674 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000663464734 411664926 /nfs/dbraw/zinc/66/49/26/411664926.db2.gz YHZOZXXQSJJLOI-UWVGGRQHSA-N 1 2 233.302 2.674 20 0 BFADLO CCCCc1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660925672 411677161 /nfs/dbraw/zinc/67/71/61/411677161.db2.gz FDZVLKJZWNNCFR-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO CCCCc1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660925672 411677167 /nfs/dbraw/zinc/67/71/67/411677167.db2.gz FDZVLKJZWNNCFR-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO CC(C)Cc1noc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660926120 411677393 /nfs/dbraw/zinc/67/73/93/411677393.db2.gz LWBJYAHYQYSBLK-RYUDHWBXSA-N 1 2 249.358 2.643 20 0 BFADLO CC(C)Cc1noc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000660926120 411677396 /nfs/dbraw/zinc/67/73/96/411677396.db2.gz LWBJYAHYQYSBLK-RYUDHWBXSA-N 1 2 249.358 2.643 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660930594 411680953 /nfs/dbraw/zinc/68/09/53/411680953.db2.gz NYCARRKBSZZXKY-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660930594 411680959 /nfs/dbraw/zinc/68/09/59/411680959.db2.gz NYCARRKBSZZXKY-QWRGUYRKSA-N 1 2 235.331 2.567 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933987 411683642 /nfs/dbraw/zinc/68/36/42/411683642.db2.gz IRRQUOVWRHQOSE-QWRGUYRKSA-N 1 2 249.383 2.790 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660933987 411683645 /nfs/dbraw/zinc/68/36/45/411683645.db2.gz IRRQUOVWRHQOSE-QWRGUYRKSA-N 1 2 249.383 2.790 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)CCC2 ZINC000661086401 411696717 /nfs/dbraw/zinc/69/67/17/411696717.db2.gz XPWKDZLVDKCJLJ-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc2c(c1)CCC2 ZINC000661086401 411696721 /nfs/dbraw/zinc/69/67/21/411696721.db2.gz XPWKDZLVDKCJLJ-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3ccc(C)cc3C2)no1 ZINC000661373356 411758140 /nfs/dbraw/zinc/75/81/40/411758140.db2.gz UEZFXLPYUAAJGX-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C[N@H+]2CCc3ccc(C)cc3C2)no1 ZINC000661373356 411758143 /nfs/dbraw/zinc/75/81/43/411758143.db2.gz UEZFXLPYUAAJGX-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO O[C@@H]1CC[N@H+](CC2CCCCCC2)CC1(F)F ZINC000661408187 411770454 /nfs/dbraw/zinc/77/04/54/411770454.db2.gz QBRKESMZLXDNAB-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1CC[N@@H+](CC2CCCCCC2)CC1(F)F ZINC000661408187 411770457 /nfs/dbraw/zinc/77/04/57/411770457.db2.gz QBRKESMZLXDNAB-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661408677 411771222 /nfs/dbraw/zinc/77/12/22/411771222.db2.gz LXBAPUPBIHLVRB-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661408677 411771224 /nfs/dbraw/zinc/77/12/24/411771224.db2.gz LXBAPUPBIHLVRB-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H]2C=CCCCCC2)o1 ZINC000661529442 411796010 /nfs/dbraw/zinc/79/60/10/411796010.db2.gz ZDBDLJZWAFBKHU-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H]2C=CCCCCC2)o1 ZINC000661529442 411796013 /nfs/dbraw/zinc/79/60/13/411796013.db2.gz ZDBDLJZWAFBKHU-LBPRGKRZSA-N 1 2 235.331 2.699 20 0 BFADLO CO[C@H](COCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000664035001 411822171 /nfs/dbraw/zinc/82/21/71/411822171.db2.gz VJWHFMRAGLNOHH-GFCCVEGCSA-N 1 2 238.331 2.522 20 0 BFADLO CCOCCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664053197 411831044 /nfs/dbraw/zinc/83/10/44/411831044.db2.gz KUTGULORIIXJTA-UHFFFAOYSA-N 1 2 248.326 2.687 20 0 BFADLO CCC1(CC)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000661674126 411834856 /nfs/dbraw/zinc/83/48/56/411834856.db2.gz HWKWGCHUQNMSDS-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO CCC1(CC)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000661674126 411834858 /nfs/dbraw/zinc/83/48/58/411834858.db2.gz HWKWGCHUQNMSDS-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO CCC[N@@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661730302 411860329 /nfs/dbraw/zinc/86/03/29/411860329.db2.gz DAAQINUQFOVCIY-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC000661730302 411860331 /nfs/dbraw/zinc/86/03/31/411860331.db2.gz DAAQINUQFOVCIY-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CC(C)(C)OCCCNc1cccc[nH+]1 ZINC000664358381 411929393 /nfs/dbraw/zinc/92/93/93/411929393.db2.gz GMIPJJHMZALVRI-UHFFFAOYSA-N 1 2 208.305 2.699 20 0 BFADLO CC(C)(F)CCNc1cc[nH+]c(C2CC2)n1 ZINC000664371870 411933183 /nfs/dbraw/zinc/93/31/83/411933183.db2.gz UZBHRFVGSMWZCY-UHFFFAOYSA-N 1 2 223.295 2.904 20 0 BFADLO COCc1csc(CNc2cc[nH+]c(C)n2)c1 ZINC000664383832 411936704 /nfs/dbraw/zinc/93/67/04/411936704.db2.gz CMULAULTWUWVLR-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO Cc1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC000664385193 411936846 /nfs/dbraw/zinc/93/68/46/411936846.db2.gz GDDIETCXFTUNPQ-WOPDTQHZSA-N 1 2 217.316 2.633 20 0 BFADLO Cc1cc(N[C@H]2COC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000664144076 411870688 /nfs/dbraw/zinc/87/06/88/411870688.db2.gz GQDZDDDDHGTEFS-LLVKDONJSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1nc(N2CCC(c3ccco3)CC2)cc[nH+]1 ZINC000664177992 411881667 /nfs/dbraw/zinc/88/16/67/411881667.db2.gz XOMIVVGPBSRNTH-UHFFFAOYSA-N 1 2 243.310 2.762 20 0 BFADLO CCc1cc(N[C@]2(C)CC2(C)C)nc[nH+]1 ZINC000664548888 411983393 /nfs/dbraw/zinc/98/33/93/411983393.db2.gz CMKVLJQJRQMWCR-GFCCVEGCSA-N 1 2 205.305 2.640 20 0 BFADLO CO[C@@H](CNc1cccc[nH+]1)C1CCCC1 ZINC000664557626 411986699 /nfs/dbraw/zinc/98/66/99/411986699.db2.gz DRYSCRSALUVVJJ-LBPRGKRZSA-N 1 2 220.316 2.699 20 0 BFADLO CO[C@@H](CNc1cc(C)[nH+]cn1)C1CCCCC1 ZINC000664587406 411992749 /nfs/dbraw/zinc/99/27/49/411992749.db2.gz SMSYSYBHSIPWSE-ZDUSSCGKSA-N 1 2 249.358 2.792 20 0 BFADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C2CC2)n1 ZINC000662131438 411995993 /nfs/dbraw/zinc/99/59/93/411995993.db2.gz OPJVDDAOWLGZRP-CLYYMRHHSA-N 1 2 247.342 2.710 20 0 BFADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C2CC2)n1 ZINC000662131438 411995997 /nfs/dbraw/zinc/99/59/97/411995997.db2.gz OPJVDDAOWLGZRP-CLYYMRHHSA-N 1 2 247.342 2.710 20 0 BFADLO CC1(C)OCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000664603594 411996449 /nfs/dbraw/zinc/99/64/49/411996449.db2.gz KQNYZRNFWPRVGI-NSHDSACASA-N 1 2 247.342 2.581 20 0 BFADLO CC(C)c1cc(N[C@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609118 411997773 /nfs/dbraw/zinc/99/77/73/411997773.db2.gz WCRJFZGZZSRASX-SNVBAGLBSA-N 1 2 245.330 2.507 20 0 BFADLO CN(C[C@@H]1CC1(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000664670937 412008044 /nfs/dbraw/zinc/00/80/44/412008044.db2.gz XQDZHHKFPJDCGJ-NSHDSACASA-N 1 2 231.343 2.836 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000132513164 412017442 /nfs/dbraw/zinc/01/74/42/412017442.db2.gz LDFGOXZWCQJMDS-GHMZBOCLSA-N 1 2 249.358 2.754 20 0 BFADLO FCC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000664411924 411946721 /nfs/dbraw/zinc/94/67/21/411946721.db2.gz RIDVCZXWVOLKLZ-LLVKDONJSA-N 1 2 208.280 2.658 20 0 BFADLO CC[C@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000664435956 411955791 /nfs/dbraw/zinc/95/57/91/411955791.db2.gz CPOPRGGGPGMJLD-LBPRGKRZSA-N 1 2 227.311 2.652 20 0 BFADLO CC[C@H](Nc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000664436564 411955939 /nfs/dbraw/zinc/95/59/39/411955939.db2.gz IXMGWFFQLPOWQJ-LBPRGKRZSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@H](Nc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000664436564 411955943 /nfs/dbraw/zinc/95/59/43/411955943.db2.gz IXMGWFFQLPOWQJ-LBPRGKRZSA-N 1 2 246.358 2.677 20 0 BFADLO c1n[nH]nc1C[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662201881 412025258 /nfs/dbraw/zinc/02/52/58/412025258.db2.gz QBMLECZLQRMGRC-ZDUSSCGKSA-N 1 2 248.374 2.597 20 0 BFADLO c1n[nH]nc1C[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000662201881 412025259 /nfs/dbraw/zinc/02/52/59/412025259.db2.gz QBMLECZLQRMGRC-ZDUSSCGKSA-N 1 2 248.374 2.597 20 0 BFADLO C[C@H]1CCC[C@H](C[N@@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862147 412033698 /nfs/dbraw/zinc/03/36/98/412033698.db2.gz LKGOTPSRFACUBE-STQMWFEESA-N 1 2 247.386 2.984 20 0 BFADLO C[C@H]1CCC[C@H](C[N@H+]2CCCc3[nH]ncc3C2)C1 ZINC000664862147 412033702 /nfs/dbraw/zinc/03/37/02/412033702.db2.gz LKGOTPSRFACUBE-STQMWFEESA-N 1 2 247.386 2.984 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000355981101 170969095 /nfs/dbraw/zinc/96/90/95/170969095.db2.gz DACANIQMBMYLIX-TZMCWYRMSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)CC2=CCSC2)o1 ZINC000662262757 412054814 /nfs/dbraw/zinc/05/48/14/412054814.db2.gz DDKKEWDARPRQMT-SNVBAGLBSA-N 1 2 238.356 2.649 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)CC2=CCSC2)o1 ZINC000662262757 412054817 /nfs/dbraw/zinc/05/48/17/412054817.db2.gz DDKKEWDARPRQMT-SNVBAGLBSA-N 1 2 238.356 2.649 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C2CCC2)n1 ZINC000664980536 412055822 /nfs/dbraw/zinc/05/58/22/412055822.db2.gz QJIIHETZVNDFRL-UHFFFAOYSA-N 1 2 229.283 2.631 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@@H](C)C2CC2)n1 ZINC000664981036 412055875 /nfs/dbraw/zinc/05/58/75/412055875.db2.gz UWAMUHJMFHLEHF-JTQLQIEISA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000152851919 171013357 /nfs/dbraw/zinc/01/33/57/171013357.db2.gz AXGDWUSUQSVTTA-LLVKDONJSA-N 1 2 231.343 2.899 20 0 BFADLO c1cc(C[NH+]2CC3(CC3)C2)n(C2CCCC2)n1 ZINC000335374882 487621604 /nfs/dbraw/zinc/62/16/04/487621604.db2.gz AKYSYOZCNIXYCH-UHFFFAOYSA-N 1 2 231.343 2.594 20 0 BFADLO CC[C@@H]1[C@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000274668367 171160727 /nfs/dbraw/zinc/16/07/27/171160727.db2.gz GVRQZZSQDVKFCH-ZYHUDNBSSA-N 1 2 231.343 2.979 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029907992 171254410 /nfs/dbraw/zinc/25/44/10/171254410.db2.gz FOCDGWSUARFFDV-NSHDSACASA-N 1 2 243.310 2.857 20 0 BFADLO CC[C@H](C)CN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302868567 171275895 /nfs/dbraw/zinc/27/58/95/171275895.db2.gz AGNKLFQWYLYPJO-LBPRGKRZSA-N 1 2 248.374 2.559 20 0 BFADLO CC[C@H](C)CN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302868567 171275897 /nfs/dbraw/zinc/27/58/97/171275897.db2.gz AGNKLFQWYLYPJO-LBPRGKRZSA-N 1 2 248.374 2.559 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000121095769 171302673 /nfs/dbraw/zinc/30/26/73/171302673.db2.gz BHFWESJEBOVKIV-JTQLQIEISA-N 1 2 221.304 2.652 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302913956 171391087 /nfs/dbraw/zinc/39/10/87/171391087.db2.gz UWAFXEIMDDZCGH-RYUDHWBXSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302913956 171391089 /nfs/dbraw/zinc/39/10/89/171391089.db2.gz UWAFXEIMDDZCGH-RYUDHWBXSA-N 1 2 248.374 2.923 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662412655 412156081 /nfs/dbraw/zinc/15/60/81/412156081.db2.gz RRQXVIAVFFVGOI-CMPLNLGQSA-N 1 2 247.342 2.819 20 0 BFADLO CCc1cc(N)nc(SC(CC)CC)[nH+]1 ZINC000330363644 171748032 /nfs/dbraw/zinc/74/80/32/171748032.db2.gz NFHIUBSUQYVDLD-UHFFFAOYSA-N 1 2 225.361 2.732 20 0 BFADLO CC1(C)CCc2sc(Cn3cc[nH+]c3)nc21 ZINC000663220473 412394280 /nfs/dbraw/zinc/39/42/80/412394280.db2.gz RTIUASOYAAKEKN-UHFFFAOYSA-N 1 2 233.340 2.612 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2cc(C)no2)o1 ZINC000125708771 171831341 /nfs/dbraw/zinc/83/13/41/171831341.db2.gz DFGIDIQTPBFQHY-SNVBAGLBSA-N 1 2 234.299 2.989 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2nonc2C)cc1 ZINC000070261707 171831536 /nfs/dbraw/zinc/83/15/36/171831536.db2.gz MAYAKDNFYFFJQP-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000182311443 172054325 /nfs/dbraw/zinc/05/43/25/172054325.db2.gz MFQLAXVKFJJEFE-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCc1noc(CC)c1CNc1cc(C)[nH+]cn1 ZINC000301549251 172083223 /nfs/dbraw/zinc/08/32/23/172083223.db2.gz GIKULALDHJBVOH-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCc1nocc1C[N@H+](C)CCC(F)(F)F ZINC000293475885 172092887 /nfs/dbraw/zinc/09/28/87/172092887.db2.gz RMDGDVNCVLTHEL-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO CCc1nocc1C[N@@H+](C)CCC(F)(F)F ZINC000293475885 172092889 /nfs/dbraw/zinc/09/28/89/172092889.db2.gz RMDGDVNCVLTHEL-UHFFFAOYSA-N 1 2 236.237 2.621 20 0 BFADLO CCc1nocc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000293328876 172095670 /nfs/dbraw/zinc/09/56/70/172095670.db2.gz GLBSNQXPWAMSEB-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000293328876 172095672 /nfs/dbraw/zinc/09/56/72/172095672.db2.gz GLBSNQXPWAMSEB-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCn1cc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000119064282 172176054 /nfs/dbraw/zinc/17/60/54/172176054.db2.gz QFAGNSRLMYDMBW-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336720088 172221365 /nfs/dbraw/zinc/22/13/65/172221365.db2.gz WHXINDAUJXCZGG-CYBMUJFWSA-N 1 2 244.342 2.568 20 0 BFADLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000336720088 172221368 /nfs/dbraw/zinc/22/13/68/172221368.db2.gz WHXINDAUJXCZGG-CYBMUJFWSA-N 1 2 244.342 2.568 20 0 BFADLO CCn1ccnc1C[NH2+][C@@H](C)c1ccccc1F ZINC000051923592 172224123 /nfs/dbraw/zinc/22/41/23/172224123.db2.gz APEBOPDYJFYMBP-NSHDSACASA-N 1 2 247.317 2.893 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(Cl)n1 ZINC000122920504 172226630 /nfs/dbraw/zinc/22/66/30/172226630.db2.gz BPGVPAJAAWTFOC-UHFFFAOYSA-N 1 2 236.706 2.564 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@@H](C)C(F)(F)F ZINC000295174284 172229143 /nfs/dbraw/zinc/22/91/43/172229143.db2.gz GPBJSGPEAZCFIL-YUMQZZPRSA-N 1 2 235.253 2.504 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@H](C)C(F)(F)F ZINC000295174282 172229449 /nfs/dbraw/zinc/22/94/49/172229449.db2.gz GPBJSGPEAZCFIL-JGVFFNPUSA-N 1 2 235.253 2.504 20 0 BFADLO CNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112211836 173293173 /nfs/dbraw/zinc/29/31/73/173293173.db2.gz RFNGQZKNUBEXIH-UHFFFAOYSA-N 1 2 243.266 2.625 20 0 BFADLO COC1(c2ccccc2)C[NH+](Cc2ccco2)C1 ZINC000362308753 174010576 /nfs/dbraw/zinc/01/05/76/174010576.db2.gz LFBTZKUTCGUJLF-UHFFFAOYSA-N 1 2 243.306 2.637 20 0 BFADLO COCC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000291793263 174076090 /nfs/dbraw/zinc/07/60/90/174076090.db2.gz JABFEFUORVJRCS-UHFFFAOYSA-N 1 2 245.326 2.714 20 0 BFADLO COCC1(C[N@H+](CC(F)F)C2CC2)CCC1 ZINC000361301628 174095404 /nfs/dbraw/zinc/09/54/04/174095404.db2.gz XOAJVMXZNLGKNJ-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO COCC1(C[N@@H+](CC(F)F)C2CC2)CCC1 ZINC000361301628 174095406 /nfs/dbraw/zinc/09/54/06/174095406.db2.gz XOAJVMXZNLGKNJ-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO COCCC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000273552040 174143274 /nfs/dbraw/zinc/14/32/74/174143274.db2.gz YYFFUUJRVBNQFI-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO COCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337425335 174190256 /nfs/dbraw/zinc/19/02/56/174190256.db2.gz WNKFVHLVJRTJSQ-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO COCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337425335 174190257 /nfs/dbraw/zinc/19/02/57/174190257.db2.gz WNKFVHLVJRTJSQ-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO COCCC[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000182492467 174261387 /nfs/dbraw/zinc/26/13/87/174261387.db2.gz XSFIDOMRYLDSHY-GFCCVEGCSA-N 1 2 236.359 2.980 20 0 BFADLO COCCC[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000182492467 174261389 /nfs/dbraw/zinc/26/13/89/174261389.db2.gz XSFIDOMRYLDSHY-GFCCVEGCSA-N 1 2 236.359 2.980 20 0 BFADLO COCCC[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309429747 174264697 /nfs/dbraw/zinc/26/46/97/174264697.db2.gz FZRLIJPHDDYWMD-WCBMZHEXSA-N 1 2 239.281 2.732 20 0 BFADLO COCCOc1ccc([NH2+]CC2CC2)cc1 ZINC000037106232 174368653 /nfs/dbraw/zinc/36/86/53/174368653.db2.gz OEGJVZDJWUQYFS-UHFFFAOYSA-N 1 2 221.300 2.534 20 0 BFADLO COCC[C@@H](C)[NH2+][C@H](C(C)C)C(F)(F)F ZINC000336772120 174385423 /nfs/dbraw/zinc/38/54/23/174385423.db2.gz XJFLZVBTDYFPNX-RKDXNWHRSA-N 1 2 227.270 2.588 20 0 BFADLO COCC[C@@H](C)Nc1ccc(C)[nH+]c1C ZINC000087151593 174386673 /nfs/dbraw/zinc/38/66/73/174386673.db2.gz BIOIIVWTRDOUAG-SNVBAGLBSA-N 1 2 208.305 2.535 20 0 BFADLO COCC[C@@H](Nc1cccc[nH+]1)c1ccco1 ZINC000355579495 174395956 /nfs/dbraw/zinc/39/59/56/174395956.db2.gz WYJIXUKBBGBJSR-LLVKDONJSA-N 1 2 232.283 2.864 20 0 BFADLO CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293675765 174741529 /nfs/dbraw/zinc/74/15/29/174741529.db2.gz KATZSGOHKZPLJH-CHWSQXEVSA-N 1 2 248.326 2.534 20 0 BFADLO COc1ccc(C)cc1-c1c[nH+]c(N)c(C)c1 ZINC000082730047 175072190 /nfs/dbraw/zinc/07/21/90/175072190.db2.gz CDHGUAMATGRMCE-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO COc1ccc([NH2+]C2CCOCC2)c(C)c1 ZINC000061566300 175149193 /nfs/dbraw/zinc/14/91/93/175149193.db2.gz MLOSTRTYTDIPAE-UHFFFAOYSA-N 1 2 221.300 2.595 20 0 BFADLO COc1ccc([NH2+]CC[C@H]2CCCO2)cc1 ZINC000082409787 175150809 /nfs/dbraw/zinc/15/08/09/175150809.db2.gz QJUVZZRIKJOZQI-CYBMUJFWSA-N 1 2 221.300 2.676 20 0 BFADLO COc1ccc([NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000069858819 175155276 /nfs/dbraw/zinc/15/52/76/175155276.db2.gz YELWZUSXKLAIMD-PWSUYJOCSA-N 1 2 221.300 2.675 20 0 BFADLO COc1ccc(SCc2[nH+]ccn2C)cc1 ZINC000299054225 175175376 /nfs/dbraw/zinc/17/53/76/175175376.db2.gz RAHGYLXBQDZFMQ-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO COc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000090340478 175190332 /nfs/dbraw/zinc/19/03/32/175190332.db2.gz ZDFZCOYVPPBXIY-JTQLQIEISA-N 1 2 243.310 2.967 20 0 BFADLO COc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000076212643 175227227 /nfs/dbraw/zinc/22/72/27/175227227.db2.gz DHNRWPDELLAYHD-UHFFFAOYSA-N 1 2 204.273 2.869 20 0 BFADLO COc1cccc([C@H](C)[NH2+]Cc2ncc(C)o2)c1 ZINC000223629816 175293031 /nfs/dbraw/zinc/29/30/31/175293031.db2.gz OLSTVSYJRQDTTH-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000138947826 175352515 /nfs/dbraw/zinc/35/25/15/175352515.db2.gz XHWAFYXZTNDQDZ-QWRGUYRKSA-N 1 2 245.326 2.830 20 0 BFADLO COc1cc[nH+]cc1COc1ccccc1C ZINC000336711873 175373353 /nfs/dbraw/zinc/37/33/53/175373353.db2.gz PXZNHGIVGZPEKS-UHFFFAOYSA-N 1 2 229.279 2.978 20 0 BFADLO COc1cc[nH+]cc1CS[C@@H]1CCCOC1 ZINC000286614332 175373443 /nfs/dbraw/zinc/37/34/43/175373443.db2.gz UNTUCMRRCCUVCG-LLVKDONJSA-N 1 2 239.340 2.502 20 0 BFADLO COc1cc[nH+]cc1CSCc1cccnc1 ZINC000342001701 175373513 /nfs/dbraw/zinc/37/35/13/175373513.db2.gz PXXFPLWNPMISDD-UHFFFAOYSA-N 1 2 246.335 2.919 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000184689991 175374325 /nfs/dbraw/zinc/37/43/25/175374325.db2.gz VDJCFKMZIPOVTA-WDEREUQCSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)CC(C)C ZINC000185288266 175374549 /nfs/dbraw/zinc/37/45/49/175374549.db2.gz MQMFKPYWTHTWDI-JTQLQIEISA-N 1 2 236.315 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CC12CCCC2 ZINC000336496872 175374672 /nfs/dbraw/zinc/37/46/72/175374672.db2.gz RCRWNWPMEDNLRA-SNVBAGLBSA-N 1 2 246.310 2.609 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000185778970 175375833 /nfs/dbraw/zinc/37/58/33/175375833.db2.gz LKBPKHBHVBLQBY-YGRLFVJLSA-N 1 2 248.326 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CCC[C@H]1C ZINC000336238165 175375979 /nfs/dbraw/zinc/37/59/79/175375979.db2.gz ZFOUWPPNBQYPAH-QMTHXVAHSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC[C@H]1CC=CCC1 ZINC000125722121 175376030 /nfs/dbraw/zinc/37/60/30/175376030.db2.gz QDHBAOHDWGGERY-NSHDSACASA-N 1 2 218.300 2.858 20 0 BFADLO CSC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000123146179 175525625 /nfs/dbraw/zinc/52/56/25/175525625.db2.gz HTYLRCXQIYKJPS-QMMMGPOBSA-N 1 2 223.345 2.517 20 0 BFADLO C[C@@H](CO)[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000159129489 175749080 /nfs/dbraw/zinc/74/90/80/175749080.db2.gz WGQKZPDLBFOUEK-QMMMGPOBSA-N 1 2 248.153 2.806 20 0 BFADLO C[C@@H](CO)[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000159129489 175749082 /nfs/dbraw/zinc/74/90/82/175749082.db2.gz WGQKZPDLBFOUEK-QMMMGPOBSA-N 1 2 248.153 2.806 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1c(F)cncc1F ZINC000285606957 175902261 /nfs/dbraw/zinc/90/22/61/175902261.db2.gz XARXFPYDLJALQK-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCc2n[nH]cc2C1 ZINC000125776433 176024530 /nfs/dbraw/zinc/02/45/30/176024530.db2.gz VYICGMHVBQMMBP-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCc2n[nH]cc2C1 ZINC000125776433 176024531 /nfs/dbraw/zinc/02/45/31/176024531.db2.gz VYICGMHVBQMMBP-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1nccs1 ZINC000175057819 176035426 /nfs/dbraw/zinc/03/54/26/176035426.db2.gz WVDFLYDVOYYYJZ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1nccs1 ZINC000175057819 176035429 /nfs/dbraw/zinc/03/54/29/176035429.db2.gz WVDFLYDVOYYYJZ-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(F)(F)F ZINC000042862562 176077051 /nfs/dbraw/zinc/07/70/51/176077051.db2.gz BHEMRJSTBQOKJG-RKDXNWHRSA-N 1 2 209.255 2.965 20 0 BFADLO C[C@@H]1CCCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000227841179 176081325 /nfs/dbraw/zinc/08/13/25/176081325.db2.gz GQGIJHUYKVNQGZ-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000227841179 176081327 /nfs/dbraw/zinc/08/13/27/176081327.db2.gz GQGIJHUYKVNQGZ-SFYZADRCSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000270609662 176111990 /nfs/dbraw/zinc/11/19/90/176111990.db2.gz XWWZAOQZULDPQN-SNVBAGLBSA-N 1 2 215.300 2.562 20 0 BFADLO C[C@@H]1CCC[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC000043569564 176145917 /nfs/dbraw/zinc/14/59/17/176145917.db2.gz VKICXTFRKMZXBE-KOLCDFICSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@@H]1CC[C@H](OC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000274336224 176235042 /nfs/dbraw/zinc/23/50/42/176235042.db2.gz MYMLNVKQYFJWLM-PWSUYJOCSA-N 1 2 244.294 2.680 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccnc2Cl)CCS1 ZINC000122510539 176308064 /nfs/dbraw/zinc/30/80/64/176308064.db2.gz NCPOOVUZIJBFKR-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccnc2Cl)CCS1 ZINC000122510539 176308066 /nfs/dbraw/zinc/30/80/66/176308066.db2.gz NCPOOVUZIJBFKR-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC000336468636 176310526 /nfs/dbraw/zinc/31/05/26/176310526.db2.gz ZFBKHOFYHJVNBS-RKDXNWHRSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)[C@@H]1C ZINC000336468636 176310528 /nfs/dbraw/zinc/31/05/28/176310528.db2.gz ZFBKHOFYHJVNBS-RKDXNWHRSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCS1 ZINC000134940881 176321223 /nfs/dbraw/zinc/32/12/23/176321223.db2.gz HHFWDFFGICVDOP-SECBINFHSA-N 1 2 233.340 2.505 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000295088852 176359613 /nfs/dbraw/zinc/35/96/13/176359613.db2.gz SXAFOJDTXHISNF-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000295088852 176359615 /nfs/dbraw/zinc/35/96/15/176359615.db2.gz SXAFOJDTXHISNF-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000310337060 176377280 /nfs/dbraw/zinc/37/72/80/176377280.db2.gz LNVNHMIIYDCJRL-QMTHXVAHSA-N 1 2 227.311 2.748 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)c2nccn21 ZINC000293574994 176377758 /nfs/dbraw/zinc/37/77/58/176377758.db2.gz AFLJSKGAVTXXGO-ZWNOBZJWSA-N 1 2 245.301 2.818 20 0 BFADLO Cc1ccc(NC(=O)NC[C@H](C)C2CC2)c(C)[nH+]1 ZINC000674857017 487635811 /nfs/dbraw/zinc/63/58/11/487635811.db2.gz NDJSNRQNHWJTST-VIFPVBQESA-N 1 2 247.342 2.866 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1ccon1 ZINC000150871118 177039099 /nfs/dbraw/zinc/03/90/99/177039099.db2.gz YFIDYZSKGLCYNL-LLVKDONJSA-N 1 2 216.284 2.868 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccon1 ZINC000150871118 177039101 /nfs/dbraw/zinc/03/91/01/177039101.db2.gz YFIDYZSKGLCYNL-LLVKDONJSA-N 1 2 216.284 2.868 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1cc[nH]n1 ZINC000114461010 177041562 /nfs/dbraw/zinc/04/15/62/177041562.db2.gz ZOTWUAQBWCDISZ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461010 177041563 /nfs/dbraw/zinc/04/15/63/177041563.db2.gz ZOTWUAQBWCDISZ-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H]1CCCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000274789296 177070993 /nfs/dbraw/zinc/07/09/93/177070993.db2.gz YAGVWBGJIYTQQN-NSHDSACASA-N 1 2 231.343 2.980 20 0 BFADLO C[C@H]1CCC[C@@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336941023 177124080 /nfs/dbraw/zinc/12/40/80/177124080.db2.gz YCDIHROJHCHTPI-ONGXEEELSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283284501 177135623 /nfs/dbraw/zinc/13/56/23/177135623.db2.gz WNAQYNFBXRYSNM-BRQSLIGTSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@H]1CC[C@@H](Sc2[nH+]cnc3c2cnn3C)C1 ZINC000272373312 177194581 /nfs/dbraw/zinc/19/45/81/177194581.db2.gz CFXKNGMHCPGNLF-DTWKUNHWSA-N 1 2 248.355 2.644 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302508894 177205270 /nfs/dbraw/zinc/20/52/70/177205270.db2.gz FQTDGPRYWNPPJK-JQWIXIFHSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302508894 177205273 /nfs/dbraw/zinc/20/52/73/177205273.db2.gz FQTDGPRYWNPPJK-JQWIXIFHSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000335709734 177262535 /nfs/dbraw/zinc/26/25/35/177262535.db2.gz NENHBZWAIJUSIZ-DTORHVGOSA-N 1 2 229.707 2.542 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000335709734 177262536 /nfs/dbraw/zinc/26/25/36/177262536.db2.gz NENHBZWAIJUSIZ-DTORHVGOSA-N 1 2 229.707 2.542 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1cccc(Cl)n1 ZINC000085697075 177304701 /nfs/dbraw/zinc/30/47/01/177304701.db2.gz RGWUZXYTMUIKAL-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1cccc(Cl)n1 ZINC000085697075 177304702 /nfs/dbraw/zinc/30/47/02/177304702.db2.gz RGWUZXYTMUIKAL-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1cc(F)ccc1F ZINC000172588801 177305184 /nfs/dbraw/zinc/30/51/84/177305184.db2.gz JDPOBOYSLRTLEU-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1cc(F)ccc1F ZINC000172588801 177305185 /nfs/dbraw/zinc/30/51/85/177305185.db2.gz JDPOBOYSLRTLEU-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000295204871 177355350 /nfs/dbraw/zinc/35/53/50/177355350.db2.gz VWGJLMVGIZEZMM-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000295204871 177355352 /nfs/dbraw/zinc/35/53/52/177355352.db2.gz VWGJLMVGIZEZMM-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000336364421 177359372 /nfs/dbraw/zinc/35/93/72/177359372.db2.gz GRGMMEGPGPIFAU-UWVGGRQHSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)C[C@H](C)O1 ZINC000301974273 177372487 /nfs/dbraw/zinc/37/24/87/177372487.db2.gz VHGMCOFPSKXHCM-PEGIJTEDSA-N 1 2 247.342 2.722 20 0 BFADLO CN(Cc1cccc(F)c1)c1cc[nH+]cc1F ZINC000678787916 487643214 /nfs/dbraw/zinc/64/32/14/487643214.db2.gz AMNMPIFVYASVAV-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO C[C@H]1C[C@@H]1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000488430437 225396244 /nfs/dbraw/zinc/39/62/44/225396244.db2.gz DTYBZRWWLNEDSF-NWDGAFQWSA-N 1 2 231.343 2.750 20 0 BFADLO Cc1ccc(F)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493194351 226152570 /nfs/dbraw/zinc/15/25/70/226152570.db2.gz GQDFKSFLYPBFRC-PLNGDYQASA-N 1 2 245.257 2.509 20 0 BFADLO Cc1cc(F)ccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493621310 226246410 /nfs/dbraw/zinc/24/64/10/226246410.db2.gz XTEUYPXYCVVXOU-HWKANZROSA-N 1 2 245.257 2.509 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000228482448 487656772 /nfs/dbraw/zinc/65/67/72/487656772.db2.gz SEZKGEJOOWILLE-BDAKNGLRSA-N 1 2 229.270 2.999 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)C(F)F ZINC000228486518 487657313 /nfs/dbraw/zinc/65/73/13/487657313.db2.gz PXHMQPBYVQEVAU-VXNVDRBHSA-N 1 2 215.243 2.900 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)OCO2 ZINC000228493041 487662951 /nfs/dbraw/zinc/66/29/51/487662951.db2.gz YDZJHRJUZCHYLF-SFYZADRCSA-N 1 2 243.253 2.720 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(F)F ZINC000228510326 487668832 /nfs/dbraw/zinc/66/88/32/487668832.db2.gz HLWQLQAWQWOOSD-ZCFIWIBFSA-N 1 2 221.197 2.708 20 0 BFADLO CC(C)C[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000680896772 487668696 /nfs/dbraw/zinc/66/86/96/487668696.db2.gz STJDUFWKIPIULQ-NSHDSACASA-N 1 2 245.326 2.955 20 0 BFADLO COc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228516086 487669948 /nfs/dbraw/zinc/66/99/48/487669948.db2.gz FDIUTHOVLXLHMH-DTWKUNHWSA-N 1 2 229.270 2.999 20 0 BFADLO Cc1cc(NC(=O)CCC2CCOCC2)cc[nH+]1 ZINC000173361028 229348039 /nfs/dbraw/zinc/34/80/39/229348039.db2.gz JKCDTQSFOMSRBK-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO CCn1cncc1C[N@H+](CC)Cc1occc1C ZINC000418106190 487682929 /nfs/dbraw/zinc/68/29/29/487682929.db2.gz XDETUAXWRLSBPL-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCn1cncc1C[N@@H+](CC)Cc1occc1C ZINC000418106190 487682935 /nfs/dbraw/zinc/68/29/35/487682935.db2.gz XDETUAXWRLSBPL-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CC[C@@H]1CN(c2[nH+]ccc3ccccc32)CCO1 ZINC000527833567 262888054 /nfs/dbraw/zinc/88/80/54/262888054.db2.gz AXCSXXBKIZWMHY-CYBMUJFWSA-N 1 2 242.322 2.850 20 0 BFADLO CC[C@H](C)CN(C)c1[nH+]cccc1OC ZINC000527890015 262891305 /nfs/dbraw/zinc/89/13/05/262891305.db2.gz LUVKSMVDHNOZLW-JTQLQIEISA-N 1 2 208.305 2.573 20 0 BFADLO COc1ccc[nH+]c1NCC1(C(F)(F)F)CC1 ZINC000528020593 262902026 /nfs/dbraw/zinc/90/20/26/262902026.db2.gz XDQNTKVAIZWZJM-UHFFFAOYSA-N 1 2 246.232 2.845 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1CCC2(CC2)CC1 ZINC000668419559 487721632 /nfs/dbraw/zinc/72/16/32/487721632.db2.gz GOVWWUOZJWEPCL-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO CCc1cc(NCC2(CCOC)CCC2)nc[nH+]1 ZINC000675447691 487732562 /nfs/dbraw/zinc/73/25/62/487732562.db2.gz WQDCDCUGKLPMDC-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO CCC(CC)(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000675456514 487734866 /nfs/dbraw/zinc/73/48/66/487734866.db2.gz VZBMREQSOVEGLI-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO C[C@H]1C[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000740885299 585108034 /nfs/dbraw/zinc/10/80/34/585108034.db2.gz ZOCKLPSJBZHEIX-BQBZGAKWSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@H]1C[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000740885299 585108035 /nfs/dbraw/zinc/10/80/35/585108035.db2.gz ZOCKLPSJBZHEIX-BQBZGAKWSA-N 1 2 213.218 2.617 20 0 BFADLO CC1(C)C[C@H](Nc2c[nH+]cc3c2CCCC3)CO1 ZINC000668442109 487760223 /nfs/dbraw/zinc/76/02/23/487760223.db2.gz YNMIVUFSHAKLFN-LBPRGKRZSA-N 1 2 246.354 2.940 20 0 BFADLO c1cc(N2CC[C@H](C3CCC3)C2)nc(C2CC2)[nH+]1 ZINC000665755567 487765641 /nfs/dbraw/zinc/76/56/41/487765641.db2.gz CIUYELXPDQFNBZ-ZDUSSCGKSA-N 1 2 243.354 2.980 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000666314297 487784579 /nfs/dbraw/zinc/78/45/79/487784579.db2.gz FWPRDYIZJVSOHT-RYUDHWBXSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1F ZINC000679221642 487784589 /nfs/dbraw/zinc/78/45/89/487784589.db2.gz LNEBRLCFWIXQJW-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1F ZINC000679221642 487784593 /nfs/dbraw/zinc/78/45/93/487784593.db2.gz LNEBRLCFWIXQJW-SKDRFNHKSA-N 1 2 242.725 2.915 20 0 BFADLO c1cc(C[NH2+][C@H]2CCCOc3ccccc32)no1 ZINC000675926382 487792302 /nfs/dbraw/zinc/79/23/02/487792302.db2.gz VZAZMVYBVKYLOO-ZDUSSCGKSA-N 1 2 244.294 2.678 20 0 BFADLO Cc1cn2cc(NC(=O)NC(C)(C)C)ccc2[nH+]1 ZINC000074904713 487823934 /nfs/dbraw/zinc/82/39/34/487823934.db2.gz ZJTRJEZJLLEPFY-UHFFFAOYSA-N 1 2 246.314 2.563 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCCC1CC1 ZINC000654000432 487846776 /nfs/dbraw/zinc/84/67/76/487846776.db2.gz SWTUXUBSVFTEBP-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)C1C[NH+](Cc2ncc(Cl)s2)C1 ZINC000684407369 487866598 /nfs/dbraw/zinc/86/65/98/487866598.db2.gz DFJPGDADNGBCPM-UHFFFAOYSA-N 1 2 230.764 2.884 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)o2)[C@@H](C)CO1 ZINC000651931242 487869133 /nfs/dbraw/zinc/86/91/33/487869133.db2.gz OLUQFZVPGGVCNX-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@@H](C)CO1 ZINC000651931242 487869141 /nfs/dbraw/zinc/86/91/41/487869141.db2.gz OLUQFZVPGGVCNX-UWVGGRQHSA-N 1 2 243.734 2.932 20 0 BFADLO Fc1cccc(C[NH+]2CC3(CC(F)C3)C2)c1F ZINC000677132865 487889920 /nfs/dbraw/zinc/88/99/20/487889920.db2.gz WERDGOQPZJBLSE-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO C[C@@H]1CC[C@]2(CC[N@H+](CC(F)F)C2)C1 ZINC000679833377 487897160 /nfs/dbraw/zinc/89/71/60/487897160.db2.gz ACNXMUJUOCBLFN-KOLCDFICSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@@H]1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1 ZINC000679833377 487897166 /nfs/dbraw/zinc/89/71/66/487897166.db2.gz ACNXMUJUOCBLFN-KOLCDFICSA-N 1 2 203.276 2.764 20 0 BFADLO CC(C)CCC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682157378 487918405 /nfs/dbraw/zinc/91/84/05/487918405.db2.gz TYMJEZZTFGSYBJ-SNVBAGLBSA-N 1 2 239.281 2.686 20 0 BFADLO CC(C)CCC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000682157378 487918407 /nfs/dbraw/zinc/91/84/07/487918407.db2.gz TYMJEZZTFGSYBJ-SNVBAGLBSA-N 1 2 239.281 2.686 20 0 BFADLO Cc1cc(N2CCC[C@H]3C[C@H]32)nc(C2CC2)[nH+]1 ZINC000672323921 487920010 /nfs/dbraw/zinc/92/00/10/487920010.db2.gz WMTGCMHVDAPMHQ-NWDGAFQWSA-N 1 2 229.327 2.651 20 0 BFADLO CCCn1cc(CNc2cc(C)c[nH+]c2C)cn1 ZINC000404560509 487927586 /nfs/dbraw/zinc/92/75/86/487927586.db2.gz SEHCDTJOSIQSAK-UHFFFAOYSA-N 1 2 244.342 2.917 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2nccnc2C)o1 ZINC000235187034 487930468 /nfs/dbraw/zinc/93/04/68/487930468.db2.gz HYZKOOSWBHOFEI-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ccc(C)c(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676794356 487931184 /nfs/dbraw/zinc/93/11/84/487931184.db2.gz VUWSVDRDGZUATL-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(C)c(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676794356 487931189 /nfs/dbraw/zinc/93/11/89/487931189.db2.gz VUWSVDRDGZUATL-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676795782 487932366 /nfs/dbraw/zinc/93/23/66/487932366.db2.gz OYPJHNPRYAZTHG-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCc2c[nH]nc2C1 ZINC000676795782 487932368 /nfs/dbraw/zinc/93/23/68/487932368.db2.gz OYPJHNPRYAZTHG-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H]([NH2+]Cc1nc(C2CC2)no1)c1ccsc1 ZINC000669940027 487943981 /nfs/dbraw/zinc/94/39/81/487943981.db2.gz UWBZTPDRPDFGDE-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1cc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000094132269 322977054 /nfs/dbraw/zinc/97/70/54/322977054.db2.gz FWONMOOYBZAUAU-GHMZBOCLSA-N 1 2 248.326 2.532 20 0 BFADLO C/C(Cl)=C/C[N@@H+](C)Cc1cccc(C)n1 ZINC000528418866 323000343 /nfs/dbraw/zinc/00/03/43/323000343.db2.gz SFIOKFGPEBULGJ-YFHOEESVSA-N 1 2 224.735 2.964 20 0 BFADLO C/C(Cl)=C/C[N@H+](C)Cc1cccc(C)n1 ZINC000528418866 323000344 /nfs/dbraw/zinc/00/03/44/323000344.db2.gz SFIOKFGPEBULGJ-YFHOEESVSA-N 1 2 224.735 2.964 20 0 BFADLO Cc1cc(NC(=O)C2CCCCC2)cc[nH+]1 ZINC000072709717 323001011 /nfs/dbraw/zinc/00/10/11/323001011.db2.gz JCQJQIRCXPXORW-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000562690944 323027411 /nfs/dbraw/zinc/02/74/11/323027411.db2.gz FAJBXVCAPCYCFW-CHWSQXEVSA-N 1 2 246.354 2.885 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)c(C)c1 ZINC000562734940 323029465 /nfs/dbraw/zinc/02/94/65/323029465.db2.gz RITBDGPDJGUNPN-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO C[C@@H](C[N@@H+]1Cc2cccnc2C1)C(F)(F)F ZINC000569805275 323041150 /nfs/dbraw/zinc/04/11/50/323041150.db2.gz VRDUSJXBWMBCIF-QMMMGPOBSA-N 1 2 230.233 2.596 20 0 BFADLO C[C@@H](C[N@H+]1Cc2cccnc2C1)C(F)(F)F ZINC000569805275 323041151 /nfs/dbraw/zinc/04/11/51/323041151.db2.gz VRDUSJXBWMBCIF-QMMMGPOBSA-N 1 2 230.233 2.596 20 0 BFADLO O=C1C[N@@H+]([C@H]2C=CCCC2)Cc2ccccc2N1 ZINC000570291708 323055400 /nfs/dbraw/zinc/05/54/00/323055400.db2.gz MTWTUSUQMKNABG-ZDUSSCGKSA-N 1 2 242.322 2.549 20 0 BFADLO O=C1C[N@H+]([C@H]2C=CCCC2)Cc2ccccc2N1 ZINC000570291708 323055401 /nfs/dbraw/zinc/05/54/01/323055401.db2.gz MTWTUSUQMKNABG-ZDUSSCGKSA-N 1 2 242.322 2.549 20 0 BFADLO C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(N)[nH+]c1 ZINC000570563690 323063125 /nfs/dbraw/zinc/06/31/25/323063125.db2.gz TUYJFVIJXAWGOG-GHMZBOCLSA-N 1 2 247.342 2.649 20 0 BFADLO Cc1cccc([C@H](C)[NH2+]Cc2ncccn2)c1 ZINC000160254665 323064445 /nfs/dbraw/zinc/06/44/45/323064445.db2.gz HYFOBQOTNGFJSA-LBPRGKRZSA-N 1 2 227.311 2.636 20 0 BFADLO CCC(C)(C)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000394558902 323080861 /nfs/dbraw/zinc/08/08/61/323080861.db2.gz KWCWXUISFATJGY-CYBMUJFWSA-N 1 2 249.354 2.927 20 0 BFADLO C/C=C(/C=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1)CC ZINC000493418844 323085807 /nfs/dbraw/zinc/08/58/07/323085807.db2.gz LKZJJXJYTSRYGO-VAZWZHNFSA-N 1 2 247.342 2.674 20 0 BFADLO COc1ccc[nH+]c1NCCc1csc(C)n1 ZINC000226427857 323098655 /nfs/dbraw/zinc/09/86/55/323098655.db2.gz ZDFJIXUVVHHSTD-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000047959500 323112691 /nfs/dbraw/zinc/11/26/91/323112691.db2.gz MBNRLYQIUBRYOH-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)o1 ZINC000047959500 323112692 /nfs/dbraw/zinc/11/26/92/323112692.db2.gz MBNRLYQIUBRYOH-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cc(NC(=O)NC[C@@H](C)C(C)C)c(C)c[nH+]1 ZINC000534324738 323116602 /nfs/dbraw/zinc/11/66/02/323116602.db2.gz BZYSREGMZMUOOS-SNVBAGLBSA-N 1 2 249.358 2.534 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@H](C)c2cccnc2)o1 ZINC000534954503 323162446 /nfs/dbraw/zinc/16/24/46/323162446.db2.gz NTJBKRCZPDKITG-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2cccnc2)o1 ZINC000534954503 323162447 /nfs/dbraw/zinc/16/24/47/323162447.db2.gz NTJBKRCZPDKITG-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCC[C@@H](C)N(C)c1nc(N)c2ccccc2[nH+]1 ZINC000535008195 323163183 /nfs/dbraw/zinc/16/31/83/323163183.db2.gz CKEXFCIQXOFRNL-SNVBAGLBSA-N 1 2 244.342 2.667 20 0 BFADLO Cc1cc(NC(=O)N2CCCC[C@H]2C)c(C)c[nH+]1 ZINC000535059922 323164949 /nfs/dbraw/zinc/16/49/49/323164949.db2.gz TVDVSTPNQBIQQP-GFCCVEGCSA-N 1 2 247.342 2.527 20 0 BFADLO Cc1cc(NC(=O)c2ccc(F)cc2)c(C)c[nH+]1 ZINC000535748923 323190410 /nfs/dbraw/zinc/19/04/10/323190410.db2.gz UMJZLOZUTKVPSJ-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535773173 323190825 /nfs/dbraw/zinc/19/08/25/323190825.db2.gz AJOHZKGOMUPDMX-SKDRFNHKSA-N 1 2 249.358 2.676 20 0 BFADLO Cc1cc(NC(=O)NCCCC(C)C)c(C)c[nH+]1 ZINC000535772623 323190917 /nfs/dbraw/zinc/19/09/17/323190917.db2.gz KIAOBNPZBLGWLC-UHFFFAOYSA-N 1 2 249.358 2.678 20 0 BFADLO Cc1cc(NC(=O)C=C2CCCCC2)c(C)c[nH+]1 ZINC000536574988 323198146 /nfs/dbraw/zinc/19/81/46/323198146.db2.gz IPKPXLOZWGLJIY-UHFFFAOYSA-N 1 2 244.338 2.949 20 0 BFADLO CCCC(C)(C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000536619249 323198640 /nfs/dbraw/zinc/19/86/40/323198640.db2.gz QTRSVSXFCNTREM-UHFFFAOYSA-N 1 2 249.358 2.821 20 0 BFADLO CCCCc1nc(C[N@H+](CC)CC(C)C)no1 ZINC000054316709 323204112 /nfs/dbraw/zinc/20/41/12/323204112.db2.gz PQMWBEJUXLBBRH-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CCCCc1nc(C[N@@H+](CC)CC(C)C)no1 ZINC000054316709 323204113 /nfs/dbraw/zinc/20/41/13/323204113.db2.gz PQMWBEJUXLBBRH-UHFFFAOYSA-N 1 2 239.363 2.890 20 0 BFADLO CC=CC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000042060035 323215703 /nfs/dbraw/zinc/21/57/03/323215703.db2.gz PRARPCZUZKFLRX-VNKDHWASSA-N 1 2 241.294 2.942 20 0 BFADLO CC[C@@H]([NH2+]CC(C)(C)c1ccccc1)C(=O)OC ZINC000134970654 323301261 /nfs/dbraw/zinc/30/12/61/323301261.db2.gz SHZUCDNBFMPBFW-CYBMUJFWSA-N 1 2 249.354 2.505 20 0 BFADLO C[C@H]1C[N@H+](CC2(F)CC2)C[C@H](c2ccccc2)O1 ZINC000526969993 323309735 /nfs/dbraw/zinc/30/97/35/323309735.db2.gz IRTQCQVRXWCZFB-GXTWGEPZSA-N 1 2 249.329 2.951 20 0 BFADLO C[C@H]1C[N@@H+](CC2(F)CC2)C[C@H](c2ccccc2)O1 ZINC000526969993 323309736 /nfs/dbraw/zinc/30/97/36/323309736.db2.gz IRTQCQVRXWCZFB-GXTWGEPZSA-N 1 2 249.329 2.951 20 0 BFADLO CC(C)=CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000302695909 323313635 /nfs/dbraw/zinc/31/36/35/323313635.db2.gz GMPYPFZXWSZYNA-UHFFFAOYSA-N 1 2 242.326 2.980 20 0 BFADLO CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC000563969934 323335969 /nfs/dbraw/zinc/33/59/69/323335969.db2.gz GDPOMRPGZLOQMT-UHFFFAOYSA-N 1 2 245.326 2.513 20 0 BFADLO CC[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)OC ZINC000106032268 323826031 /nfs/dbraw/zinc/82/60/31/323826031.db2.gz SMCADNRONDEFKT-KGLIPLIRSA-N 1 2 247.338 2.679 20 0 BFADLO CC[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)OC ZINC000106032265 323826835 /nfs/dbraw/zinc/82/68/35/323826835.db2.gz SMCADNRONDEFKT-KBPBESRZSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC1C[NH+](Cc2ccc(SC)cc2)C1 ZINC000459575927 324148750 /nfs/dbraw/zinc/14/87/50/324148750.db2.gz CWSNTNKNPQEOBS-UHFFFAOYSA-N 1 2 237.368 2.629 20 0 BFADLO CCC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)CCO1 ZINC000130315859 325039018 /nfs/dbraw/zinc/03/90/18/325039018.db2.gz ZKHYLUBFZZXMGL-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccc1F)c1ccn(C)n1 ZINC000543602626 325096759 /nfs/dbraw/zinc/09/67/59/325096759.db2.gz FPILENRROIHKPZ-ZDUSSCGKSA-N 1 2 247.317 2.800 20 0 BFADLO Cc1ccc(O)c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000072710045 325168238 /nfs/dbraw/zinc/16/82/38/325168238.db2.gz ZDQATUDNWUPDGU-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO COC[C@H](C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000131736839 325180018 /nfs/dbraw/zinc/18/00/18/325180018.db2.gz WWNIPPPRZMCISD-GFCCVEGCSA-N 1 2 245.326 2.567 20 0 BFADLO CC(C)C1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000075833438 325316329 /nfs/dbraw/zinc/31/63/29/325316329.db2.gz NUAMYEWSHIKPSW-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO COc1cc[nH+]cc1NC(=O)Nc1ccccc1 ZINC000133851233 325324167 /nfs/dbraw/zinc/32/41/67/325324167.db2.gz KFQJCEHAFDTTTG-UHFFFAOYSA-N 1 2 243.266 2.734 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCCCCO ZINC000134649865 325370135 /nfs/dbraw/zinc/37/01/35/325370135.db2.gz REZKYZYLGTWWHD-UHFFFAOYSA-N 1 2 223.316 2.578 20 0 BFADLO COc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)ccn1 ZINC000547728353 325389330 /nfs/dbraw/zinc/38/93/30/325389330.db2.gz BHTCOSACWDHPJK-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CC12CCCC2)c1[nH]cc[nH+]1 ZINC000547750142 325391670 /nfs/dbraw/zinc/39/16/70/325391670.db2.gz WNLKMXBSWAHYFR-QWRGUYRKSA-N 1 2 247.342 2.557 20 0 BFADLO CCCC[C@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000135132032 325396572 /nfs/dbraw/zinc/39/65/72/325396572.db2.gz XBHZKARGLMOFHP-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO CCCC[C@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000135151754 325397474 /nfs/dbraw/zinc/39/74/74/325397474.db2.gz JGCXARXAQCMTAH-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CC=CCC2)c(C)[nH+]1 ZINC000653184716 487967799 /nfs/dbraw/zinc/96/77/99/487967799.db2.gz XZQRFXJPIXLCFG-UHFFFAOYSA-N 1 2 245.326 2.801 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC2CC(C)(C)C2)[nH+]1 ZINC000548693401 325473477 /nfs/dbraw/zinc/47/34/77/325473477.db2.gz VTTXOFNHLDVVKQ-UHFFFAOYSA-N 1 2 244.342 2.536 20 0 BFADLO CC[C@H](NC(=O)c1cc(C)c(C)o1)c1[nH]cc[nH+]1 ZINC000548734170 325476698 /nfs/dbraw/zinc/47/66/98/325476698.db2.gz IMHYRBGDLGNXTB-JTQLQIEISA-N 1 2 247.298 2.501 20 0 BFADLO CSCc1cnc(C[NH+]2[C@H](C)C[C@H]2C)s1 ZINC000552214891 325610216 /nfs/dbraw/zinc/61/02/16/325610216.db2.gz SQHVJIGJZZXTMP-RKDXNWHRSA-N 1 2 242.413 2.989 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2nccs2)s1 ZINC000091729486 325688966 /nfs/dbraw/zinc/68/89/66/325688966.db2.gz OJBKTXISTBBUSW-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccc1)C(=O)OC(C)(C)C ZINC000554022299 325702582 /nfs/dbraw/zinc/70/25/82/325702582.db2.gz XZAUHIROYPNCEQ-CYBMUJFWSA-N 1 2 249.354 2.897 20 0 BFADLO CC[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000565578929 325930063 /nfs/dbraw/zinc/93/00/63/325930063.db2.gz GMUDCCPHUAUDDU-JLIMGVALSA-N 1 2 239.281 2.873 20 0 BFADLO Cc1cnccc1CC[N@H+](CC(F)F)C(C)C ZINC000566155896 326003914 /nfs/dbraw/zinc/00/39/14/326003914.db2.gz MGIMXZBQHTWOGM-UHFFFAOYSA-N 1 2 242.313 2.908 20 0 BFADLO Cc1cnccc1CC[N@@H+](CC(F)F)C(C)C ZINC000566155896 326003915 /nfs/dbraw/zinc/00/39/15/326003915.db2.gz MGIMXZBQHTWOGM-UHFFFAOYSA-N 1 2 242.313 2.908 20 0 BFADLO CC(C)Oc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000572574859 326008693 /nfs/dbraw/zinc/00/86/93/326008693.db2.gz JBPGSQMAAFVKHD-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@H]2CF)c(F)c1 ZINC000566337585 326035175 /nfs/dbraw/zinc/03/51/75/326035175.db2.gz GFUWZYSJLWQVLH-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@H]2CF)c(F)c1 ZINC000566337585 326035177 /nfs/dbraw/zinc/03/51/77/326035177.db2.gz GFUWZYSJLWQVLH-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CCC[C@H](F)C3)n2c1 ZINC000566352923 326036044 /nfs/dbraw/zinc/03/60/44/326036044.db2.gz BMNZIKRXBUYEHU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](F)C3)n2c1 ZINC000566352923 326036045 /nfs/dbraw/zinc/03/60/45/326036045.db2.gz BMNZIKRXBUYEHU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3CCC[C@H](F)C3)n2c1 ZINC000566352923 326036049 /nfs/dbraw/zinc/03/60/49/326036049.db2.gz BMNZIKRXBUYEHU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCOC2(CCC2)C1 ZINC000566571543 326065170 /nfs/dbraw/zinc/06/51/70/326065170.db2.gz FCGLSPFURXESSS-LBPRGKRZSA-N 1 2 247.342 2.607 20 0 BFADLO C[C@@H](CC(=O)Nc1ccsc1)n1cc[nH+]c1 ZINC000566680868 326074017 /nfs/dbraw/zinc/07/40/17/326074017.db2.gz BZLDMXPNQWZJSO-VIFPVBQESA-N 1 2 235.312 2.534 20 0 BFADLO CC[C@@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000566826143 326085951 /nfs/dbraw/zinc/08/59/51/326085951.db2.gz IICHTNSWQVNOGQ-GFCCVEGCSA-N 1 2 219.332 2.720 20 0 BFADLO CC[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000566826150 326085990 /nfs/dbraw/zinc/08/59/90/326085990.db2.gz IICHTNSWQVNOGQ-LBPRGKRZSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1cccc2[nH]c(C[NH2+]Cc3ccco3)nc21 ZINC000153590125 326103034 /nfs/dbraw/zinc/10/30/34/326103034.db2.gz KIFRFOLRDZGZHQ-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1cccc2nc(C[NH2+]Cc3ccco3)[nH]c21 ZINC000153590125 326103036 /nfs/dbraw/zinc/10/30/36/326103036.db2.gz KIFRFOLRDZGZHQ-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1ccc(CNc2ccc(C)[nH+]c2)cn1 ZINC000154803130 326165347 /nfs/dbraw/zinc/16/53/47/326165347.db2.gz AIUSWGLRUZXSOV-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC1(C)C ZINC000309888439 326173523 /nfs/dbraw/zinc/17/35/23/326173523.db2.gz ZGUUWVUDSZELHC-UWVGGRQHSA-N 1 2 220.316 2.937 20 0 BFADLO CCC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567367011 326175404 /nfs/dbraw/zinc/17/54/04/326175404.db2.gz QQLWDQYLZSHYBP-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@H](C)c1ccccc1 ZINC000567520874 326209519 /nfs/dbraw/zinc/20/95/19/326209519.db2.gz IBODPCCSGPELKQ-NSHDSACASA-N 1 2 241.338 2.731 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1cc(C)c(C)o1 ZINC000157660443 326289307 /nfs/dbraw/zinc/28/93/07/326289307.db2.gz LAMFDZAOTMVELT-UHFFFAOYSA-N 1 2 246.266 2.552 20 0 BFADLO CCC[C@H]([NH2+]Cc1cccc(CC)c1)C(=O)OC ZINC000568034576 326298716 /nfs/dbraw/zinc/29/87/16/326298716.db2.gz YAXWCRUROJKBNM-AWEZNQCLSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1cccc2ncc(C[N@@H+]3CCC[C@@H](F)C3)n21 ZINC000568054190 326300957 /nfs/dbraw/zinc/30/09/57/326300957.db2.gz OQJVMOOERCKIAA-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2ncc(C[N@H+]3CCC[C@@H](F)C3)n21 ZINC000568054190 326300959 /nfs/dbraw/zinc/30/09/59/326300959.db2.gz OQJVMOOERCKIAA-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO CCCN(CCC)C(=O)/C=C/c1[nH+]ccn1CC ZINC000158696336 326338085 /nfs/dbraw/zinc/33/80/85/326338085.db2.gz HGTARWBWGUPWSM-BQYQJAHWSA-N 1 2 249.358 2.565 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cccc(C)n2)no1 ZINC000568946509 326383048 /nfs/dbraw/zinc/38/30/48/326383048.db2.gz IFXFWAZGDYRLID-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nocc1Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000569002134 326386110 /nfs/dbraw/zinc/38/61/10/326386110.db2.gz YIHRWRKJLAXSMT-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO Cn1c[nH+]cc1CSc1ccc2c(c1)CCO2 ZINC000665687316 487985882 /nfs/dbraw/zinc/98/58/82/487985882.db2.gz KDRMTWVWCNJBAA-UHFFFAOYSA-N 1 2 246.335 2.647 20 0 BFADLO Cc1ncc([C@H](C)[N@@H+]2CCC=C(F)C2)c(C)n1 ZINC000682077640 487992622 /nfs/dbraw/zinc/99/26/22/487992622.db2.gz QHUOPUJLGOCLHG-JTQLQIEISA-N 1 2 235.306 2.714 20 0 BFADLO Cc1ncc([C@H](C)[N@H+]2CCC=C(F)C2)c(C)n1 ZINC000682077640 487992625 /nfs/dbraw/zinc/99/26/25/487992625.db2.gz QHUOPUJLGOCLHG-JTQLQIEISA-N 1 2 235.306 2.714 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCC1(O)CCC1 ZINC000396745948 488002920 /nfs/dbraw/zinc/00/29/20/488002920.db2.gz ACXPLXKLUPHULG-UHFFFAOYSA-N 1 2 235.327 2.636 20 0 BFADLO CC[C@@H](C)[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000661104599 488012609 /nfs/dbraw/zinc/01/26/09/488012609.db2.gz ACELHNSBJXMULN-SNVBAGLBSA-N 1 2 225.336 2.813 20 0 BFADLO CC[C@@H](C)[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000661104599 488012611 /nfs/dbraw/zinc/01/26/11/488012611.db2.gz ACELHNSBJXMULN-SNVBAGLBSA-N 1 2 225.336 2.813 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1cn[nH]c1 ZINC000677420309 488032398 /nfs/dbraw/zinc/03/23/98/488032398.db2.gz DCDCGLICGRAZIN-SECBINFHSA-N 1 2 245.330 2.670 20 0 BFADLO Fc1cc(F)c(C[NH2+]Cc2ccco2)c(F)c1 ZINC000083368970 488055163 /nfs/dbraw/zinc/05/51/63/488055163.db2.gz JWEKXODGPXMLSH-UHFFFAOYSA-N 1 2 241.212 2.987 20 0 BFADLO Cn1ccc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)n1 ZINC000678284132 488067489 /nfs/dbraw/zinc/06/74/89/488067489.db2.gz VVERNHVZWWHNBX-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)n1 ZINC000678284132 488067492 /nfs/dbraw/zinc/06/74/92/488067492.db2.gz VVERNHVZWWHNBX-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO CCCC[C@@H](CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140762887 488072234 /nfs/dbraw/zinc/07/22/34/488072234.db2.gz VOBVRDRUWNEQAT-GHMZBOCLSA-N 1 2 237.347 2.803 20 0 BFADLO CC1(c2ccccc2)CC(Nc2c[nH]c[nH+]2)C1 ZINC000515373251 488074802 /nfs/dbraw/zinc/07/48/02/488074802.db2.gz WJLPNANIJRYWED-UHFFFAOYSA-N 1 2 227.311 2.942 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2cc(C)ccn2)s1 ZINC000683005692 488086086 /nfs/dbraw/zinc/08/60/86/488086086.db2.gz ZDRKCTHGNGUDRW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2cc(C)ccn2)s1 ZINC000683005692 488086092 /nfs/dbraw/zinc/08/60/92/488086092.db2.gz ZDRKCTHGNGUDRW-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)CCCF)cc2[nH+]1 ZINC000665795950 488091980 /nfs/dbraw/zinc/09/19/80/488091980.db2.gz HSAPDGJQXJZIHN-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO C[C@H](Nc1c[nH+]c2c(c1)CCCC2)[C@H]1CCCO1 ZINC000680348801 488100445 /nfs/dbraw/zinc/10/04/45/488100445.db2.gz DMWGGTGUPXQBMB-XHDPSFHLSA-N 1 2 246.354 2.940 20 0 BFADLO CC1CCC(C[N@@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000682547624 488116861 /nfs/dbraw/zinc/11/68/61/488116861.db2.gz SDYKYHHQKMBFTD-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2C[C@@H](O)CC(F)(F)C2)CC1 ZINC000682547624 488116866 /nfs/dbraw/zinc/11/68/66/488116866.db2.gz SDYKYHHQKMBFTD-MCIGGMRASA-N 1 2 247.329 2.515 20 0 BFADLO Fc1ccc(C2([NH2+]Cc3cocn3)CCC2)cc1 ZINC000683201428 488129289 /nfs/dbraw/zinc/12/92/89/488129289.db2.gz QOWGDJSXFUBSLM-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)[nH]1 ZINC000392416022 487538671 /nfs/dbraw/zinc/53/86/71/487538671.db2.gz JHISETXSEVKOMI-JGVFFNPUSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccsc2)[nH]1 ZINC000392416024 487538828 /nfs/dbraw/zinc/53/88/28/487538828.db2.gz JHISETXSEVKOMI-YUMQZZPRSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000685561759 487543968 /nfs/dbraw/zinc/54/39/68/487543968.db2.gz DUSIYJQEEUIZKG-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2ccoc2C)o1 ZINC000685561759 487543974 /nfs/dbraw/zinc/54/39/74/487543974.db2.gz DUSIYJQEEUIZKG-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO CC[C@@H](C)CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000680196042 487546356 /nfs/dbraw/zinc/54/63/56/487546356.db2.gz KLHHSSBCGPYJNZ-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2cccc(C)n2)o1 ZINC000685568443 487549885 /nfs/dbraw/zinc/54/98/85/487549885.db2.gz FISVFKACVJZFRM-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2cccc(C)n2)o1 ZINC000685568443 487549887 /nfs/dbraw/zinc/54/98/87/487549887.db2.gz FISVFKACVJZFRM-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1nccs1 ZINC000673950304 487553134 /nfs/dbraw/zinc/55/31/34/487553134.db2.gz GVAJKYDYUMFPSM-ZANVPECISA-N 1 2 246.335 2.755 20 0 BFADLO Cc1cc(N[C@@H](C(C)C)C2CC2)nc[nH+]1 ZINC000324193628 487553908 /nfs/dbraw/zinc/55/39/08/487553908.db2.gz ZQDFHTQYGFQEFL-LBPRGKRZSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1cc(N(C)C[C@H]2CC=CCC2)nc[nH+]1 ZINC000680068164 487530812 /nfs/dbraw/zinc/53/08/12/487530812.db2.gz RYLXQNIKVMXICJ-LBPRGKRZSA-N 1 2 231.343 2.832 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cc[nH]n1 ZINC000093592897 487479100 /nfs/dbraw/zinc/47/91/00/487479100.db2.gz PQIZULALQUPMBV-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000093592897 487479108 /nfs/dbraw/zinc/47/91/08/487479108.db2.gz PQIZULALQUPMBV-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000678463345 487486731 /nfs/dbraw/zinc/48/67/31/487486731.db2.gz AWPRDNKUKWYKFM-DTWKUNHWSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000678463345 487486732 /nfs/dbraw/zinc/48/67/32/487486732.db2.gz AWPRDNKUKWYKFM-DTWKUNHWSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cnccc2C)oc1C ZINC000679939998 487498530 /nfs/dbraw/zinc/49/85/30/487498530.db2.gz IUFFTUCRNIOICK-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CCc1cnc(C[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000679940147 487498699 /nfs/dbraw/zinc/49/86/99/487498699.db2.gz LDOLXOCRKPXMRF-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccno2)c1 ZINC000674009894 487495697 /nfs/dbraw/zinc/49/56/97/487495697.db2.gz MZNWSOHHUVBDKD-ZDUSSCGKSA-N 1 2 232.258 2.761 20 0 BFADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2ccno2)c1 ZINC000674009894 487495699 /nfs/dbraw/zinc/49/56/99/487495699.db2.gz MZNWSOHHUVBDKD-ZDUSSCGKSA-N 1 2 232.258 2.761 20 0 BFADLO CCOC1C[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000668231121 487496259 /nfs/dbraw/zinc/49/62/59/487496259.db2.gz MVGXRJPAZWEMRW-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cnccc2C)o1 ZINC000679943220 487500075 /nfs/dbraw/zinc/50/00/75/487500075.db2.gz UGEVEEXHNGZYSH-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccsc2)n1 ZINC000381337973 487504640 /nfs/dbraw/zinc/50/46/40/487504640.db2.gz WMWXVPSAUYKTOM-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000295693735 487513564 /nfs/dbraw/zinc/51/35/64/487513564.db2.gz UXAMWSRHANZEQD-LBPRGKRZSA-N 1 2 249.358 2.593 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000295693735 487513567 /nfs/dbraw/zinc/51/35/67/487513567.db2.gz UXAMWSRHANZEQD-LBPRGKRZSA-N 1 2 249.358 2.593 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674090638 487517031 /nfs/dbraw/zinc/51/70/31/487517031.db2.gz OVACFODANHMYKO-NSHDSACASA-N 1 2 232.327 2.577 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)Cc1sccc1Cl ZINC000685412066 487517274 /nfs/dbraw/zinc/51/72/74/487517274.db2.gz LZGFVESQIKVUDJ-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CC(C)[C@@H](Nc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000324091660 487518339 /nfs/dbraw/zinc/51/83/39/487518339.db2.gz HZBULOVTGYTUKW-SECBINFHSA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@@H](Nc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000324091660 487518340 /nfs/dbraw/zinc/51/83/40/487518340.db2.gz HZBULOVTGYTUKW-SECBINFHSA-N 1 2 240.738 2.559 20 0 BFADLO C=Cn1cc(C[NH2+]C2(C(F)F)CCCC2)cn1 ZINC000674132013 487524533 /nfs/dbraw/zinc/52/45/33/487524533.db2.gz FPBQFDMDRFDPFR-UHFFFAOYSA-N 1 2 241.285 2.651 20 0 BFADLO C[C@H]1CC[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)O1 ZINC000665728956 487527169 /nfs/dbraw/zinc/52/71/69/487527169.db2.gz AFSCFEPRJVPIHK-WDEREUQCSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1ccc(Cc2nc(C3CCC3)no2)c[nH+]1 ZINC000680692523 487634185 /nfs/dbraw/zinc/63/41/85/487634185.db2.gz VQTWIHPYLYZKPS-UHFFFAOYSA-N 1 2 229.283 2.631 20 0 BFADLO Cc1cc[nH+]c(N[C@@H]2CCOC[C@H]2C)c1Cl ZINC000309733390 487723255 /nfs/dbraw/zinc/72/32/55/487723255.db2.gz BRASKKPKXMFEDX-NXEZZACHSA-N 1 2 240.734 2.880 20 0 BFADLO c1c2ccccc2[nH]c1C[N@@H+]1CCOCC12CC2 ZINC000670273146 487895624 /nfs/dbraw/zinc/89/56/24/487895624.db2.gz QJPWEPCYBGXSIA-UHFFFAOYSA-N 1 2 242.322 2.533 20 0 BFADLO c1c2ccccc2[nH]c1C[N@H+]1CCOCC12CC2 ZINC000670273146 487895629 /nfs/dbraw/zinc/89/56/29/487895629.db2.gz QJPWEPCYBGXSIA-UHFFFAOYSA-N 1 2 242.322 2.533 20 0 BFADLO Nc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000049829814 487942971 /nfs/dbraw/zinc/94/29/71/487942971.db2.gz PQCWGMVIIZZANA-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2ncc[nH]2)c1 ZINC000677802309 488125791 /nfs/dbraw/zinc/12/57/91/488125791.db2.gz PZCUJMWCZVAFDN-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000677802309 488125792 /nfs/dbraw/zinc/12/57/92/488125792.db2.gz PZCUJMWCZVAFDN-GFCCVEGCSA-N 1 2 229.327 2.911 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667948027 488165921 /nfs/dbraw/zinc/16/59/21/488165921.db2.gz KZKCCVBIQYJJCP-SNVBAGLBSA-N 1 2 246.314 2.563 20 0 BFADLO Cn1cnc(C[N@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000683899687 488241734 /nfs/dbraw/zinc/24/17/34/488241734.db2.gz YFDCSEQNVRZWJJ-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cnc(C[N@@H+](C)Cc2ccc(Cl)cc2)c1 ZINC000683899687 488241737 /nfs/dbraw/zinc/24/17/37/488241737.db2.gz YFDCSEQNVRZWJJ-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2c(C)noc2C)o1 ZINC000678354412 488246175 /nfs/dbraw/zinc/24/61/75/488246175.db2.gz IFYKCKNSUGTFFB-PSASIEDQSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)o1 ZINC000678354425 488246275 /nfs/dbraw/zinc/24/62/75/488246275.db2.gz IFYKCKNSUGTFFB-WPRPVWTQSA-N 1 2 249.314 3.000 20 0 BFADLO CC[C@]1(Nc2cc[nH+]c(C(C)(C)C)n2)CCOC1 ZINC000672276139 488250019 /nfs/dbraw/zinc/25/00/19/488250019.db2.gz WJSWLUWAFONAJQ-AWEZNQCLSA-N 1 2 249.358 2.755 20 0 BFADLO CCc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)nc[nH+]1 ZINC000678485369 488260812 /nfs/dbraw/zinc/26/08/12/488260812.db2.gz YWBUATTXAYLEJA-QWHCGFSZSA-N 1 2 249.358 2.655 20 0 BFADLO CN(c1cc[nH+]cc1F)C1CCCCC1 ZINC000678786343 488282981 /nfs/dbraw/zinc/28/29/81/488282981.db2.gz IEGAXSPFABUZPP-UHFFFAOYSA-N 1 2 208.280 2.990 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1nc2c(s1)CCC2 ZINC000678840052 488290018 /nfs/dbraw/zinc/29/00/18/488290018.db2.gz LCSHPYWHYSUZQJ-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1nc2c(s1)CCC2 ZINC000678840052 488290022 /nfs/dbraw/zinc/29/00/22/488290022.db2.gz LCSHPYWHYSUZQJ-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000679004672 488302448 /nfs/dbraw/zinc/30/24/48/488302448.db2.gz DNHXBKXIEVVZNB-NWDGAFQWSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1oncc1NCCCc1ccc(C)[nH+]c1 ZINC000684392976 488305003 /nfs/dbraw/zinc/30/50/03/488305003.db2.gz CIVSLZPWZLNHKI-UHFFFAOYSA-N 1 2 231.299 2.731 20 0 BFADLO COC[C@H](CC(C)C)Nc1ccc(OC)c[nH+]1 ZINC000679068630 488305387 /nfs/dbraw/zinc/30/53/87/488305387.db2.gz KPSWLYFQRGHJQM-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)c2cnc(C)nc2C)c1 ZINC000679077111 488306765 /nfs/dbraw/zinc/30/67/65/488306765.db2.gz CPCQRIFKKUVDKE-LLVKDONJSA-N 1 2 242.326 2.970 20 0 BFADLO COc1cc(C)[nH+]c(CNC(C)(C)C(F)F)c1 ZINC000684413301 488308836 /nfs/dbraw/zinc/30/88/36/488308836.db2.gz DUSOKIIQKNKLSR-UHFFFAOYSA-N 1 2 244.285 2.532 20 0 BFADLO COCc1ccc(SCc2[nH+]ccn2C)cc1 ZINC000673893291 488311844 /nfs/dbraw/zinc/31/18/44/488311844.db2.gz FWDJJHPRGDSIGX-UHFFFAOYSA-N 1 2 248.351 2.859 20 0 BFADLO Cc1ccc(NC(=O)CCC(F)F)c(C)[nH+]1 ZINC000684457344 488315333 /nfs/dbraw/zinc/31/53/33/488315333.db2.gz IPQZLXYZTTUQAI-UHFFFAOYSA-N 1 2 228.242 2.682 20 0 BFADLO CC(C)n1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679220211 488318590 /nfs/dbraw/zinc/31/85/90/488318590.db2.gz DAAAWTHQSSVQJA-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)n1 ZINC000679220211 488318592 /nfs/dbraw/zinc/31/85/92/488318592.db2.gz DAAAWTHQSSVQJA-YPMHNXCESA-N 1 2 239.338 2.644 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cs1 ZINC000679227167 488322203 /nfs/dbraw/zinc/32/22/03/488322203.db2.gz WZJHUIHMOQUEBE-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cs1 ZINC000679227167 488322205 /nfs/dbraw/zinc/32/22/05/488322205.db2.gz WZJHUIHMOQUEBE-KCJUWKMLSA-N 1 2 228.336 2.631 20 0 BFADLO FC1(F)CN(Cc2c[nH+]c[nH]2)Cc2ccccc21 ZINC000684619120 488332977 /nfs/dbraw/zinc/33/29/77/488332977.db2.gz AHKNPPUGYWGKLY-UHFFFAOYSA-N 1 2 249.264 2.517 20 0 BFADLO FC1(F)CN(Cc2c[nH]c[nH+]2)Cc2ccccc21 ZINC000684619120 488332979 /nfs/dbraw/zinc/33/29/79/488332979.db2.gz AHKNPPUGYWGKLY-UHFFFAOYSA-N 1 2 249.264 2.517 20 0 BFADLO Cc1ccc(C)c(NC(=O)C[N@H+]2CC=CCC2)c1 ZINC000679324058 488337831 /nfs/dbraw/zinc/33/78/31/488337831.db2.gz NEDAQQATZMLDPY-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO Cc1ccc(C)c(NC(=O)C[N@@H+]2CC=CCC2)c1 ZINC000679324058 488337832 /nfs/dbraw/zinc/33/78/32/488337832.db2.gz NEDAQQATZMLDPY-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000679358497 488345332 /nfs/dbraw/zinc/34/53/32/488345332.db2.gz JXJPJILCOUIVHV-ZYHUDNBSSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C[C@H]1F ZINC000679358497 488345335 /nfs/dbraw/zinc/34/53/35/488345335.db2.gz JXJPJILCOUIVHV-ZYHUDNBSSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C[C@H]1F ZINC000679358497 488345337 /nfs/dbraw/zinc/34/53/37/488345337.db2.gz JXJPJILCOUIVHV-ZYHUDNBSSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C[C@H]1F ZINC000679358497 488345339 /nfs/dbraw/zinc/34/53/39/488345339.db2.gz JXJPJILCOUIVHV-ZYHUDNBSSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccon1 ZINC000679546514 488357953 /nfs/dbraw/zinc/35/79/53/488357953.db2.gz PQPACGFXOREMQK-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccon1 ZINC000679546514 488357954 /nfs/dbraw/zinc/35/79/54/488357954.db2.gz PQPACGFXOREMQK-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO Cc1nc(N2CC(C(C)C)C2)c2c([nH+]1)CCCC2 ZINC000679838979 488367914 /nfs/dbraw/zinc/36/79/14/488367914.db2.gz GNVKSYZMCCVBEK-UHFFFAOYSA-N 1 2 245.370 2.756 20 0 BFADLO CC(C)c1nc(NCc2ccccn2)cc[nH+]1 ZINC000110111094 490104144 /nfs/dbraw/zinc/10/41/44/490104144.db2.gz NNFWBONWNKPJPS-UHFFFAOYSA-N 1 2 228.299 2.607 20 0 BFADLO CC(C)c1nc(NCCc2nccs2)cc[nH+]1 ZINC000110392676 490105192 /nfs/dbraw/zinc/10/51/92/490105192.db2.gz XZCAQVLKTTXNGK-UHFFFAOYSA-N 1 2 248.355 2.711 20 0 BFADLO COc1ccc(NCCCC(C)C)[nH+]c1 ZINC000220798722 490143965 /nfs/dbraw/zinc/14/39/65/490143965.db2.gz LWZMBVXVAMVUAY-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO Cc1nc(NC2CCC(OC(C)C)CC2)cc[nH+]1 ZINC000130127027 490234070 /nfs/dbraw/zinc/23/40/70/490234070.db2.gz PQNZFOGKBVJSCX-UHFFFAOYSA-N 1 2 249.358 2.933 20 0 BFADLO CC[C@H]1CC[C@H](C)N1c1cc(NC2CC2)nc[nH+]1 ZINC000413218095 490274319 /nfs/dbraw/zinc/27/43/19/490274319.db2.gz GWVGMMRNVIIDBL-JQWIXIFHSA-N 1 2 246.358 2.818 20 0 BFADLO CC[C@H]1CC[C@H](C)N1c1cc(NC2CC2)[nH+]cn1 ZINC000413218095 490274313 /nfs/dbraw/zinc/27/43/13/490274313.db2.gz GWVGMMRNVIIDBL-JQWIXIFHSA-N 1 2 246.358 2.818 20 0 BFADLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)sc1C ZINC000074721316 490502202 /nfs/dbraw/zinc/50/22/02/490502202.db2.gz VZXLCBGTMQTIPN-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO COc1ccc[nH+]c1NCCc1ccccc1 ZINC000127742923 490555632 /nfs/dbraw/zinc/55/56/32/490555632.db2.gz ATXVXRUJKHNVMD-UHFFFAOYSA-N 1 2 228.295 2.745 20 0 BFADLO CCOCn1c[nH+]c2cc(C)c(C)cc21 ZINC000128348953 490577087 /nfs/dbraw/zinc/57/70/87/490577087.db2.gz KGLSORKJTHNKPX-UHFFFAOYSA-N 1 2 204.273 2.647 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(Cl)s2)o1 ZINC000227083845 491055015 /nfs/dbraw/zinc/05/50/15/491055015.db2.gz ZFXDTOLGLBMPBK-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(O)cc2)o1 ZINC000227541563 491062917 /nfs/dbraw/zinc/06/29/17/491062917.db2.gz AARCTJNBLYDZNL-JTQLQIEISA-N 1 2 232.283 2.539 20 0 BFADLO CCC[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000080955746 491096895 /nfs/dbraw/zinc/09/68/95/491096895.db2.gz WNOHFMJCBQUXAT-MRVPVSSYSA-N 1 2 218.304 2.867 20 0 BFADLO COc1ccc(N[C@@H](C)c2ccncc2)[nH+]c1 ZINC000225836331 491096954 /nfs/dbraw/zinc/09/69/54/491096954.db2.gz ILSDVHJPRWEASM-JTQLQIEISA-N 1 2 229.283 2.658 20 0 BFADLO CCc1cc(NC[C@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000230692990 491130662 /nfs/dbraw/zinc/13/06/62/491130662.db2.gz KXJOPJPDHGAUOX-WDEREUQCSA-N 1 2 219.332 2.887 20 0 BFADLO C[C@@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132047480 491133957 /nfs/dbraw/zinc/13/39/57/491133957.db2.gz DGIJDIJZFWAFOJ-NXEZZACHSA-N 1 2 248.326 2.853 20 0 BFADLO C[C@@H]1C[C@@H]1C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000132047057 491134015 /nfs/dbraw/zinc/13/40/15/491134015.db2.gz DGIJDIJZFWAFOJ-ZJUUUORDSA-N 1 2 248.326 2.853 20 0 BFADLO Cc1csc([C@H](C)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000309393033 491147921 /nfs/dbraw/zinc/14/79/21/491147921.db2.gz GEPZPJHJZHGLJH-BDAKNGLRSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)n1 ZINC000309393033 491147922 /nfs/dbraw/zinc/14/79/22/491147922.db2.gz GEPZPJHJZHGLJH-BDAKNGLRSA-N 1 2 236.344 2.586 20 0 BFADLO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1Cl ZINC000310268675 491160908 /nfs/dbraw/zinc/16/09/08/491160908.db2.gz SBUAVHPVZBFFAC-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO CCC[C@@]1(C)CCC[N@H+](Cc2noc(C)n2)C1 ZINC000076145518 535553160 /nfs/dbraw/zinc/55/31/60/535553160.db2.gz DFKPSRDFGIRCJK-ZDUSSCGKSA-N 1 2 237.347 2.780 20 0 BFADLO CCC[C@@]1(C)CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000076145518 535553164 /nfs/dbraw/zinc/55/31/64/535553164.db2.gz DFKPSRDFGIRCJK-ZDUSSCGKSA-N 1 2 237.347 2.780 20 0 BFADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493453757 534166424 /nfs/dbraw/zinc/16/64/24/534166424.db2.gz NUAVOFFSAUAORI-OZQHNXSNSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cc(NC[C@@H](C)c2ccc(F)cc2)nc[nH+]1 ZINC000346948028 518186292 /nfs/dbraw/zinc/18/62/92/518186292.db2.gz WLAVLJYIYHXHOE-SNVBAGLBSA-N 1 2 245.301 2.562 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C\C1CC1 ZINC000493151985 534387016 /nfs/dbraw/zinc/38/70/16/534387016.db2.gz KRMPYSLXBJJXDP-WAYWQWQTSA-N 1 2 216.284 2.603 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC[C@H](O)C2)cc[nH+]1 ZINC000172763661 534912429 /nfs/dbraw/zinc/91/24/29/534912429.db2.gz AIGJQKHOTXIOBE-NEPJUHHUSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)CCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492914368 527705800 /nfs/dbraw/zinc/70/58/00/527705800.db2.gz SPNZPBHYWKPXDO-KRZKBDHCSA-N 1 2 249.358 2.754 20 0 BFADLO CCCN(C(=O)/C=C\c1[nH+]ccn1CC)C(C)C ZINC000493517768 527720132 /nfs/dbraw/zinc/72/01/32/527720132.db2.gz NYTQQMUAFQZUGE-FPLPWBNLSA-N 1 2 249.358 2.563 20 0 BFADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493213335 527933377 /nfs/dbraw/zinc/93/33/77/527933377.db2.gz DJMUYKWABXHUML-AATRIKPKSA-N 1 2 247.342 2.510 20 0 BFADLO CCCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCC1 ZINC000492758603 528037459 /nfs/dbraw/zinc/03/74/59/528037459.db2.gz AUCRWZQHQBQKCV-PLNGDYQASA-N 1 2 247.342 2.510 20 0 BFADLO CC1=C[C@@H](C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000485415479 528131809 /nfs/dbraw/zinc/13/18/09/528131809.db2.gz FNLXOEMFCFRCQN-SNVBAGLBSA-N 1 2 227.311 2.965 20 0 BFADLO CC1=C[C@@H](C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000485427520 528131953 /nfs/dbraw/zinc/13/19/53/528131953.db2.gz WMPRGEQMXXMJBI-LLVKDONJSA-N 1 2 241.338 2.976 20 0 BFADLO CCCCCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493258067 528148304 /nfs/dbraw/zinc/14/83/04/528148304.db2.gz QEOXJGVIHDWKJY-IDVQTMNDSA-N 1 2 249.358 2.898 20 0 BFADLO CCC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C ZINC000493203711 528166865 /nfs/dbraw/zinc/16/68/65/528166865.db2.gz IMBWRBCQYXAGNL-AEZGRPFRSA-N 1 2 249.358 2.754 20 0 BFADLO CC1CCC(C)(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493361022 528171579 /nfs/dbraw/zinc/17/15/79/528171579.db2.gz XXNVYQYAUNIRNG-ARJAWSKDSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)c1nc(N(C)Cc2nccs2)cc[nH+]1 ZINC000173921769 528363745 /nfs/dbraw/zinc/36/37/45/528363745.db2.gz BPRZJUDLLRJOIK-UHFFFAOYSA-N 1 2 248.355 2.693 20 0 BFADLO CCC(C)(C)OCCNc1cccc[nH+]1 ZINC000308512923 528593778 /nfs/dbraw/zinc/59/37/78/528593778.db2.gz ODKOMWQRMJZHEY-UHFFFAOYSA-N 1 2 208.305 2.699 20 0 BFADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000492858973 528766245 /nfs/dbraw/zinc/76/62/45/528766245.db2.gz LWHZJQGVYXAUHC-FPLPWBNLSA-N 1 2 247.342 2.603 20 0 BFADLO CCC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C1CCC1 ZINC000493634090 528967065 /nfs/dbraw/zinc/96/70/65/528967065.db2.gz YIANBGCWASKTRQ-QDZRJHCZSA-N 1 2 247.342 2.508 20 0 BFADLO CCSCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494207771 529179844 /nfs/dbraw/zinc/17/98/44/529179844.db2.gz GMHOSFCNWALYRS-VIFPVBQESA-N 1 2 223.332 2.717 20 0 BFADLO CCSCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494207771 529179846 /nfs/dbraw/zinc/17/98/46/529179846.db2.gz GMHOSFCNWALYRS-VIFPVBQESA-N 1 2 223.332 2.717 20 0 BFADLO CC[C@H]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493418682 529253971 /nfs/dbraw/zinc/25/39/71/529253971.db2.gz IEHAJZRRDGBZSW-QUXAFYNFSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493143665 529280754 /nfs/dbraw/zinc/28/07/54/529280754.db2.gz CDPMLXLVUBZRMK-LASXONHFSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493143664 529288379 /nfs/dbraw/zinc/28/83/79/529288379.db2.gz CDPMLXLVUBZRMK-IDDPWSFUSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H](CNc1cc(C)[nH+]cn1)CC(F)(F)F ZINC000402661397 529336991 /nfs/dbraw/zinc/33/69/91/529336991.db2.gz KYZAGEJMDRTUOE-VIFPVBQESA-N 1 2 247.264 2.597 20 0 BFADLO CC(C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000078387024 534920944 /nfs/dbraw/zinc/92/09/44/534920944.db2.gz FRZZMYCZHPZZBW-UHFFFAOYSA-N 1 2 210.227 2.971 20 0 BFADLO CCOCC[N@H+](CC)Cc1ncc(Cl)s1 ZINC000352012308 535585096 /nfs/dbraw/zinc/58/50/96/535585096.db2.gz YXVANFXYCJFMLP-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCOCC[N@@H+](CC)Cc1ncc(Cl)s1 ZINC000352012308 535585098 /nfs/dbraw/zinc/58/50/98/535585098.db2.gz YXVANFXYCJFMLP-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CC[C@H]([NH2+]Cc1nccs1)c1nccs1 ZINC000070717496 535921740 /nfs/dbraw/zinc/92/17/40/535921740.db2.gz XOHWLYBOFFXYHE-QMMMGPOBSA-N 1 2 239.369 2.841 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347947094 535928774 /nfs/dbraw/zinc/92/87/74/535928774.db2.gz ZEJJYRBBWUOPOP-UHIISALHSA-N 1 2 247.342 2.509 20 0 BFADLO CCc1nc(N2[C@@H](C)CC[C@@H]2C)cc(C)[nH+]1 ZINC000342541693 536126363 /nfs/dbraw/zinc/12/63/63/536126363.db2.gz FBQUZKRTFUIJRD-QWRGUYRKSA-N 1 2 219.332 2.725 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@](C)(F)C2)cs1 ZINC000335740918 536137262 /nfs/dbraw/zinc/13/72/62/536137262.db2.gz ANEOEMWCQIIWMA-NSHDSACASA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@](C)(F)C2)cs1 ZINC000335740918 536137265 /nfs/dbraw/zinc/13/72/65/536137265.db2.gz ANEOEMWCQIIWMA-NSHDSACASA-N 1 2 228.336 2.639 20 0 BFADLO C[C@@H](O)c1cccc(NCCCC2CC2)[nH+]1 ZINC000892602603 582925861 /nfs/dbraw/zinc/92/58/61/582925861.db2.gz CGQXDINOGQMDNX-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO COc1ccc2[nH+]c(C)nc(NC3CCC3)c2c1 ZINC000351478104 537048227 /nfs/dbraw/zinc/04/82/27/537048227.db2.gz CCCAJUDWKQKDAI-UHFFFAOYSA-N 1 2 243.310 2.911 20 0 BFADLO Cc1ccncc1C[NH2+]C(C)(C)C(F)F ZINC000389982520 566380587 /nfs/dbraw/zinc/38/05/87/566380587.db2.gz JYHBDLWVXVULNZ-UHFFFAOYSA-N 1 2 214.259 2.523 20 0 BFADLO CCC[N@H+](CC)Cn1nc(CC)sc1=S ZINC000853493970 588745917 /nfs/dbraw/zinc/74/59/17/588745917.db2.gz WHJSBZLWAIVGFX-UHFFFAOYSA-N 1 2 245.417 2.926 20 0 BFADLO CCC[N@@H+](CC)Cn1nc(CC)sc1=S ZINC000853493970 588745918 /nfs/dbraw/zinc/74/59/18/588745918.db2.gz WHJSBZLWAIVGFX-UHFFFAOYSA-N 1 2 245.417 2.926 20 0 BFADLO Clc1cnn(C[N@H+]2CC=CCC2)c1C1CC1 ZINC000853505975 588746648 /nfs/dbraw/zinc/74/66/48/588746648.db2.gz FHSQEISOJJABAW-UHFFFAOYSA-N 1 2 237.734 2.633 20 0 BFADLO Clc1cnn(C[N@@H+]2CC=CCC2)c1C1CC1 ZINC000853505975 588746649 /nfs/dbraw/zinc/74/66/49/588746649.db2.gz FHSQEISOJJABAW-UHFFFAOYSA-N 1 2 237.734 2.633 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000853513944 588746891 /nfs/dbraw/zinc/74/68/91/588746891.db2.gz LHYNWUFPRVWFGC-SNVBAGLBSA-N 1 2 239.750 2.856 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cn1ncc(Cl)c1C1CC1 ZINC000853513944 588746892 /nfs/dbraw/zinc/74/68/92/588746892.db2.gz LHYNWUFPRVWFGC-SNVBAGLBSA-N 1 2 239.750 2.856 20 0 BFADLO CC1(CO[NH+]=C(N)c2ccccc2)CCC1 ZINC000853636538 588751315 /nfs/dbraw/zinc/75/13/15/588751315.db2.gz DYJUPDJVMFHEPF-UHFFFAOYSA-N 1 2 218.300 2.723 20 0 BFADLO CC1(CO[NH+]=C(N)COc2ccccc2)CCC1 ZINC000853645876 588752032 /nfs/dbraw/zinc/75/20/32/588752032.db2.gz LRQPODATLCWSIK-UHFFFAOYSA-N 1 2 248.326 2.754 20 0 BFADLO NC(Cc1ccccc1)=[NH+]OCC1CC=CC1 ZINC000853656083 588752691 /nfs/dbraw/zinc/75/26/91/588752691.db2.gz SWGYTTARKTWCIS-UHFFFAOYSA-N 1 2 230.311 2.694 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]O[C@@H](C)C(C)C ZINC000853674790 588754866 /nfs/dbraw/zinc/75/48/66/588754866.db2.gz IONJVBQAPFWJFU-QWRGUYRKSA-N 1 2 230.352 2.590 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OCC1CC=CC1 ZINC000853695092 588757201 /nfs/dbraw/zinc/75/72/01/588757201.db2.gz QSEPJWYCXPXNPE-UHFFFAOYSA-N 1 2 248.301 2.833 20 0 BFADLO COC1CC(CCNc2cc[nH+]c(C(C)C)n2)C1 ZINC000853749029 588761119 /nfs/dbraw/zinc/76/11/19/588761119.db2.gz KRSAAFIALJXTDU-UHFFFAOYSA-N 1 2 249.358 2.827 20 0 BFADLO CC(C)c1nc(NCCc2ccoc2)cc[nH+]1 ZINC000853842390 588765627 /nfs/dbraw/zinc/76/56/27/588765627.db2.gz ARRWKZOFEAZKGI-UHFFFAOYSA-N 1 2 231.299 2.848 20 0 BFADLO CC(C)c1nn(C)cc1-c1ccc2[nH+]ccn2c1 ZINC000854173949 588777902 /nfs/dbraw/zinc/77/79/02/588777902.db2.gz VQCUCMIMTUUCJX-UHFFFAOYSA-N 1 2 240.310 2.858 20 0 BFADLO CCCC[C@](C)(F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594251 588796253 /nfs/dbraw/zinc/79/62/53/588796253.db2.gz HVLAYJNGXYDAMO-SKDRFNHKSA-N 1 2 241.310 2.505 20 0 BFADLO CC(C)n1nccc1C[NH2+][C@H]1CCCC1(F)F ZINC000398065654 582536143 /nfs/dbraw/zinc/53/61/43/582536143.db2.gz CAVICFMYPVWRKC-NSHDSACASA-N 1 2 243.301 2.741 20 0 BFADLO CC[C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000855387736 588830406 /nfs/dbraw/zinc/83/04/06/588830406.db2.gz IWEPOIDRDMAPAQ-LLVKDONJSA-N 1 2 245.326 2.500 20 0 BFADLO C[C@@H](O)c1cccc(NCCc2cccs2)[nH+]1 ZINC000891516280 582694642 /nfs/dbraw/zinc/69/46/42/582694642.db2.gz HVXIAPHQOPPEDG-SNVBAGLBSA-N 1 2 248.351 2.851 20 0 BFADLO C[C@@H](O)c1cccc(NCCC(C)(C)C)[nH+]1 ZINC000891785592 582721227 /nfs/dbraw/zinc/72/12/27/582721227.db2.gz BIANEFSWFCPPRO-SNVBAGLBSA-N 1 2 222.332 2.983 20 0 BFADLO C[C@H](O)c1cccc(NCCC(C)(C)C)[nH+]1 ZINC000891785591 582721361 /nfs/dbraw/zinc/72/13/61/582721361.db2.gz BIANEFSWFCPPRO-JTQLQIEISA-N 1 2 222.332 2.983 20 0 BFADLO Cc1ccc(CCNc2cccc([C@@H](C)O)[nH+]2)o1 ZINC000891813166 582725077 /nfs/dbraw/zinc/72/50/77/582725077.db2.gz UAXDERKNNSOISL-LLVKDONJSA-N 1 2 246.310 2.691 20 0 BFADLO Cc1cccn2c(NC(=O)/C=C/C3CC3)c[nH+]c12 ZINC000855901907 588853187 /nfs/dbraw/zinc/85/31/87/588853187.db2.gz ARWCEQLTXCOIIM-VOTSOKGWSA-N 1 2 241.294 2.547 20 0 BFADLO Cc1cccn2c(NC(=O)[C@@H]3CC3(C)C)c[nH+]c12 ZINC000855903249 588853351 /nfs/dbraw/zinc/85/33/51/588853351.db2.gz VFDAOIYIIRQCTD-JTQLQIEISA-N 1 2 243.310 2.627 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000892342029 582861675 /nfs/dbraw/zinc/86/16/75/582861675.db2.gz IXHPBWRROWEVLA-DCAQKATOSA-N 1 2 220.316 2.735 20 0 BFADLO CCc1cc(N[C@H](C)CSC)nc(CC)[nH+]1 ZINC000892603745 582926606 /nfs/dbraw/zinc/92/66/06/582926606.db2.gz SOYZPOXHMAGUBH-SECBINFHSA-N 1 2 239.388 2.765 20 0 BFADLO Cc1[nH+]cccc1Cn1ccc(C(F)(F)F)n1 ZINC000393888073 582931919 /nfs/dbraw/zinc/93/19/19/582931919.db2.gz VZDBOFMIVGRRSF-UHFFFAOYSA-N 1 2 241.216 2.654 20 0 BFADLO C[C@H](O)c1cccc(NCCCC(F)(F)F)[nH+]1 ZINC000892739964 582974160 /nfs/dbraw/zinc/97/41/60/582974160.db2.gz HEMWOAQKDZHSEO-QMMMGPOBSA-N 1 2 248.248 2.889 20 0 BFADLO FC(F)CNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000892751372 582976207 /nfs/dbraw/zinc/97/62/07/582976207.db2.gz VBVUERQSHNJUMU-UHFFFAOYSA-N 1 2 239.269 2.908 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287145 588867332 /nfs/dbraw/zinc/86/73/32/588867332.db2.gz NVWNZAKQLDMPHG-NYYWCZLTSA-N 1 2 243.310 2.938 20 0 BFADLO CC(C)C1(CNc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000892871390 583000500 /nfs/dbraw/zinc/00/05/00/583000500.db2.gz WWVLNXOSYOCJDR-LLVKDONJSA-N 1 2 234.343 2.983 20 0 BFADLO CSCC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000123170202 583016395 /nfs/dbraw/zinc/01/63/95/583016395.db2.gz ORGUGXCSKNAKHU-VIFPVBQESA-N 1 2 237.372 2.908 20 0 BFADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1ccc[nH]1 ZINC000893022727 583032088 /nfs/dbraw/zinc/03/20/88/583032088.db2.gz MYGCAATUZKXNFS-ZJUUUORDSA-N 1 2 231.299 2.636 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)c2ccc[nH]2)[nH+]1 ZINC000893022726 583032117 /nfs/dbraw/zinc/03/21/17/583032117.db2.gz MYGCAATUZKXNFS-VHSXEESVSA-N 1 2 231.299 2.636 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)CCF ZINC000893084137 583045756 /nfs/dbraw/zinc/04/57/56/583045756.db2.gz IRGMQICMJLABDH-UHFFFAOYSA-N 1 2 239.290 2.916 20 0 BFADLO CCOc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1 ZINC000395162975 583047231 /nfs/dbraw/zinc/04/72/31/583047231.db2.gz RYOLTLIVXNRGRW-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO Cc1nc(NCC[C@@H]2CC2(Cl)Cl)cc[nH+]1 ZINC000856786107 588877771 /nfs/dbraw/zinc/87/77/71/588877771.db2.gz WJIRYQOQFIETTJ-MRVPVSSYSA-N 1 2 246.141 2.781 20 0 BFADLO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000398196991 583123902 /nfs/dbraw/zinc/12/39/02/583123902.db2.gz LTAVQJNDBDJEQE-KCJUWKMLSA-N 1 2 243.301 2.567 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)c1cccs1 ZINC000893518314 583156047 /nfs/dbraw/zinc/15/60/47/583156047.db2.gz WJBKTGWUSAZDNR-SECBINFHSA-N 1 2 248.307 2.555 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1CC[C@@H](C)C1 ZINC000893524936 583157234 /nfs/dbraw/zinc/15/72/34/583157234.db2.gz VWMGHNIDOHZJLQ-USWWRNFRSA-N 1 2 248.326 2.616 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1CC[C@H](C)C1 ZINC000893524937 583157412 /nfs/dbraw/zinc/15/74/12/583157412.db2.gz VWMGHNIDOHZJLQ-WCQGTBRESA-N 1 2 248.326 2.616 20 0 BFADLO CC[C@H](C)CC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893527767 583157937 /nfs/dbraw/zinc/15/79/37/583157937.db2.gz GSVDVXPSRRGKSJ-ONGXEEELSA-N 1 2 236.315 2.616 20 0 BFADLO CCc1cc(N2[C@@H](C)C[C@@H]2C)nc(CC)[nH+]1 ZINC000893589565 583168167 /nfs/dbraw/zinc/16/81/67/583168167.db2.gz IBDVULYGGXCBKL-UWVGGRQHSA-N 1 2 219.332 2.589 20 0 BFADLO Cc1cccc(CCSCc2ncccn2)[nH+]1 ZINC000843302707 583176912 /nfs/dbraw/zinc/17/69/12/583176912.db2.gz TUOCAUUVUOMYTC-UHFFFAOYSA-N 1 2 245.351 2.656 20 0 BFADLO C[C@H](O)c1cccc(NC[C@H]2CCC[C@H]2C)[nH+]1 ZINC000893676247 583195473 /nfs/dbraw/zinc/19/54/73/583195473.db2.gz RCJOEIXBQPYTQK-GRYCIOLGSA-N 1 2 234.343 2.983 20 0 BFADLO Cc1cc(N2CC[C@@H]3C[C@@H]32)nc(C2CCC2)[nH+]1 ZINC000893680493 583197640 /nfs/dbraw/zinc/19/76/40/583197640.db2.gz URPFBSMHQORCSH-NEPJUHHUSA-N 1 2 229.327 2.651 20 0 BFADLO COCC1(Nc2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000893680535 583198082 /nfs/dbraw/zinc/19/80/82/583198082.db2.gz WLLUOPIWRKYZRP-UHFFFAOYSA-N 1 2 247.342 2.643 20 0 BFADLO c1c(C2CC2)[nH+]c(C2CC2)nc1N1CC[C@H]2C[C@H]21 ZINC000893680068 583198187 /nfs/dbraw/zinc/19/81/87/583198187.db2.gz DVZVUYCLXYCGJA-WCQYABFASA-N 1 2 241.338 2.830 20 0 BFADLO Clc1ccc(NCc2[nH+]ccn2C2CC2)nc1 ZINC000893881573 583241179 /nfs/dbraw/zinc/24/11/79/583241179.db2.gz DKHRMGQYTOVJAX-UHFFFAOYSA-N 1 2 248.717 2.879 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000893961281 583256494 /nfs/dbraw/zinc/25/64/94/583256494.db2.gz DOXVYULSNVKFQW-LBPRGKRZSA-N 1 2 221.348 2.649 20 0 BFADLO C[C@H]1COCC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC000893962978 583257833 /nfs/dbraw/zinc/25/78/33/583257833.db2.gz VNJZJJVRNMMJBX-FHMRSRPSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1COCC[N@H+]1C/C=C\c1cccc(F)c1 ZINC000893962978 583257835 /nfs/dbraw/zinc/25/78/35/583257835.db2.gz VNJZJJVRNMMJBX-FHMRSRPSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1COCC[N@@H+]1C/C=C\c1cccc(F)c1 ZINC000893962979 583258173 /nfs/dbraw/zinc/25/81/73/583258173.db2.gz VNJZJJVRNMMJBX-KTLBGCOUSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1COCC[N@H+]1C/C=C\c1cccc(F)c1 ZINC000893962979 583258175 /nfs/dbraw/zinc/25/81/75/583258175.db2.gz VNJZJJVRNMMJBX-KTLBGCOUSA-N 1 2 235.302 2.560 20 0 BFADLO Cc1cc(N[C@@H]2COCC2(C)C)ccc1[NH+](C)C ZINC000894121279 583311431 /nfs/dbraw/zinc/31/14/31/583311431.db2.gz WYJNUDVIJBJWEZ-CQSZACIVSA-N 1 2 248.370 2.898 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(C(C)(C)C)co1 ZINC000894139350 583316039 /nfs/dbraw/zinc/31/60/39/583316039.db2.gz MIDJUQZBAUVMHN-UWVGGRQHSA-N 1 2 222.332 2.955 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000894168211 583324390 /nfs/dbraw/zinc/32/43/90/583324390.db2.gz QULRCHDGKPQXKR-HNCHTBHHSA-N 1 2 232.327 2.735 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000894192860 583333604 /nfs/dbraw/zinc/33/36/04/583333604.db2.gz IFXFOBQXZWGBSG-BXKDBHETSA-N 1 2 246.310 2.989 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@H]2c2ccco2)[nH+]1 ZINC000894222739 583382989 /nfs/dbraw/zinc/38/29/89/583382989.db2.gz KVLFNQBAPLTBJK-CKYFFXLPSA-N 1 2 244.294 2.696 20 0 BFADLO CC[N@H+](CC(F)(F)C(F)F)C1CCC1 ZINC000738315058 583386680 /nfs/dbraw/zinc/38/66/80/583386680.db2.gz SQSFNAKKLJMDFK-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO CC[N@@H+](CC(F)(F)C(F)F)C1CCC1 ZINC000738315058 583386683 /nfs/dbraw/zinc/38/66/83/583386683.db2.gz SQSFNAKKLJMDFK-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO C[C@H]1CCC[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000791943212 583453217 /nfs/dbraw/zinc/45/32/17/583453217.db2.gz FKGCSWMYTNTZSK-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cccc2c1CCCN2Cc1c[nH+]c[nH]1 ZINC000894429270 583456337 /nfs/dbraw/zinc/45/63/37/583456337.db2.gz BGBHNOUJKUFSPK-UHFFFAOYSA-N 1 2 227.311 2.671 20 0 BFADLO Cc1cccc2c1CCCN2Cc1c[nH]c[nH+]1 ZINC000894429270 583456338 /nfs/dbraw/zinc/45/63/38/583456338.db2.gz BGBHNOUJKUFSPK-UHFFFAOYSA-N 1 2 227.311 2.671 20 0 BFADLO CCN(Cc1[nH]cc(C(C)C)[nH+]1)CC(F)F ZINC000894456506 583464510 /nfs/dbraw/zinc/46/45/10/583464510.db2.gz RTDDMBGNWORMNE-UHFFFAOYSA-N 1 2 231.290 2.620 20 0 BFADLO C[C@]1(F)CCCN(Cc2[nH+]ccn2C2CC2)C1 ZINC000894658425 583498964 /nfs/dbraw/zinc/49/89/64/583498964.db2.gz HEXPXBORLZFHDG-ZDUSSCGKSA-N 1 2 237.322 2.542 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000894658425 583498965 /nfs/dbraw/zinc/49/89/65/583498965.db2.gz HEXPXBORLZFHDG-ZDUSSCGKSA-N 1 2 237.322 2.542 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000894658425 583498968 /nfs/dbraw/zinc/49/89/68/583498968.db2.gz HEXPXBORLZFHDG-ZDUSSCGKSA-N 1 2 237.322 2.542 20 0 BFADLO Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000894673390 583504615 /nfs/dbraw/zinc/50/46/15/583504615.db2.gz ZHMZHKGCALKLOQ-SNVBAGLBSA-N 1 2 228.698 2.587 20 0 BFADLO Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000894673390 583504617 /nfs/dbraw/zinc/50/46/17/583504617.db2.gz ZHMZHKGCALKLOQ-SNVBAGLBSA-N 1 2 228.698 2.587 20 0 BFADLO Cc1nnc(C[N@@H+]2CCc3ccsc3[C@@H]2C)o1 ZINC000880376895 583531054 /nfs/dbraw/zinc/53/10/54/583531054.db2.gz LCWXVWFGDRFPHL-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc(C[N@H+]2CCc3ccsc3[C@@H]2C)o1 ZINC000880376895 583531056 /nfs/dbraw/zinc/53/10/56/583531056.db2.gz LCWXVWFGDRFPHL-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO c1[nH]c(CNc2ccc([C@H]3CCOC3)cc2)c[nH+]1 ZINC000894862879 583536808 /nfs/dbraw/zinc/53/68/08/583536808.db2.gz KPGAWKCYRLOWPW-LBPRGKRZSA-N 1 2 243.310 2.526 20 0 BFADLO c1[nH]cc(CNc2ccc([C@H]3CCOC3)cc2)[nH+]1 ZINC000894862879 583536811 /nfs/dbraw/zinc/53/68/11/583536811.db2.gz KPGAWKCYRLOWPW-LBPRGKRZSA-N 1 2 243.310 2.526 20 0 BFADLO CCNc1cc(CNc2nccs2)cc[nH+]1 ZINC000894872376 583540501 /nfs/dbraw/zinc/54/05/01/583540501.db2.gz IQGFEMXKJLYRDG-UHFFFAOYSA-N 1 2 234.328 2.582 20 0 BFADLO CCc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc(CC)[nH+]1 ZINC000894921658 583555961 /nfs/dbraw/zinc/55/59/61/583555961.db2.gz KSRZQEXSVYAUOW-JFGNBEQYSA-N 1 2 249.358 2.579 20 0 BFADLO CCc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)nc(CC)[nH+]1 ZINC000894921653 583556037 /nfs/dbraw/zinc/55/60/37/583556037.db2.gz KSRZQEXSVYAUOW-CKYFFXLPSA-N 1 2 249.358 2.579 20 0 BFADLO Cc1ncoc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000895053829 583574809 /nfs/dbraw/zinc/57/48/09/583574809.db2.gz XBJDTIKLQLLBMS-UONOGXRCSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1C ZINC000895057505 583575363 /nfs/dbraw/zinc/57/53/63/583575363.db2.gz JDHBIERVVXGBJQ-NXEZZACHSA-N 1 2 221.348 2.647 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1C ZINC000895057505 583575365 /nfs/dbraw/zinc/57/53/65/583575365.db2.gz JDHBIERVVXGBJQ-NXEZZACHSA-N 1 2 221.348 2.647 20 0 BFADLO Cn1c(Cl)cnc1C[NH+]1CCC(C)(C)CC1 ZINC000726969978 583577917 /nfs/dbraw/zinc/57/79/17/583577917.db2.gz GHWHRKYDQBEVSP-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CCc1cnccc1CNc1nc[nH+]c(C)c1C ZINC000882168058 583597479 /nfs/dbraw/zinc/59/74/79/583597479.db2.gz TUFKBIKNUUYQNA-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC23CCCC3)c1C ZINC000895133468 583601571 /nfs/dbraw/zinc/60/15/71/583601571.db2.gz JYADAGKIWQRGCR-UHFFFAOYSA-N 1 2 219.332 2.545 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC23CCCC3)c1C ZINC000895133468 583601573 /nfs/dbraw/zinc/60/15/73/583601573.db2.gz JYADAGKIWQRGCR-UHFFFAOYSA-N 1 2 219.332 2.545 20 0 BFADLO CSc1ccc[nH+]c1NCc1ocnc1C ZINC000895139737 583602862 /nfs/dbraw/zinc/60/28/62/583602862.db2.gz JEOCTEYENJCCJH-UHFFFAOYSA-N 1 2 235.312 2.712 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](CCF)C2)c1C ZINC000895274751 583635062 /nfs/dbraw/zinc/63/50/62/583635062.db2.gz JXDHAQLHNAXKLP-GFCCVEGCSA-N 1 2 239.338 2.598 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](CCF)C2)c1C ZINC000895274751 583635063 /nfs/dbraw/zinc/63/50/63/583635063.db2.gz JXDHAQLHNAXKLP-GFCCVEGCSA-N 1 2 239.338 2.598 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCCC(F)(F)CC2)c1C ZINC000895392033 583663861 /nfs/dbraw/zinc/66/38/61/583663861.db2.gz JXOITKFAEYTBPI-UHFFFAOYSA-N 1 2 243.301 2.648 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCCC(F)(F)CC2)c1C ZINC000895392033 583663863 /nfs/dbraw/zinc/66/38/63/583663863.db2.gz JXOITKFAEYTBPI-UHFFFAOYSA-N 1 2 243.301 2.648 20 0 BFADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCCC(C)C ZINC000895397596 583665156 /nfs/dbraw/zinc/66/51/56/583665156.db2.gz QLHQJWWGYOZYAJ-CYBMUJFWSA-N 1 2 247.354 2.694 20 0 BFADLO OCc1cc[nH+]c(NC[C@@]23C[C@@H]2CCCC3)c1 ZINC000895429000 583668426 /nfs/dbraw/zinc/66/84/26/583668426.db2.gz XEJJHEPGFUWPPG-GXTWGEPZSA-N 1 2 232.327 2.566 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC000895430142 583669452 /nfs/dbraw/zinc/66/94/52/583669452.db2.gz CEWITUGLWXAKTC-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1CCCC1CCOCC1 ZINC000895430142 583669454 /nfs/dbraw/zinc/66/94/54/583669454.db2.gz CEWITUGLWXAKTC-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H]2C(F)F)CCO1 ZINC000895431427 583670301 /nfs/dbraw/zinc/67/03/01/583670301.db2.gz MWEXLYGIFLJLGC-MXWKQRLJSA-N 1 2 233.302 2.531 20 0 BFADLO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H]2C(F)F)CCO1 ZINC000895431427 583670302 /nfs/dbraw/zinc/67/03/02/583670302.db2.gz MWEXLYGIFLJLGC-MXWKQRLJSA-N 1 2 233.302 2.531 20 0 BFADLO COC1(C[N@@H+]2CC[C@@H]2C(F)F)CCCCC1 ZINC000895432810 583671575 /nfs/dbraw/zinc/67/15/75/583671575.db2.gz QDSTVXZOUJSGBA-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO COC1(C[N@H+]2CC[C@@H]2C(F)F)CCCCC1 ZINC000895432810 583671578 /nfs/dbraw/zinc/67/15/78/583671578.db2.gz QDSTVXZOUJSGBA-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)c1c[nH]c(C[NH+]2CCC(C)(F)CC2)n1 ZINC000895447056 583675617 /nfs/dbraw/zinc/67/56/17/583675617.db2.gz IPCODZZBPBRMOL-UHFFFAOYSA-N 1 2 239.338 2.857 20 0 BFADLO CC[C@@H](C)Oc1cccc(NCc2c[nH+]c[nH]2)n1 ZINC000895467011 583678780 /nfs/dbraw/zinc/67/87/80/583678780.db2.gz JJGUAGGOTWTWTI-SNVBAGLBSA-N 1 2 246.314 2.594 20 0 BFADLO CC[C@@H](C)Oc1cccc(NCc2c[nH]c[nH+]2)n1 ZINC000895467011 583678782 /nfs/dbraw/zinc/67/87/82/583678782.db2.gz JJGUAGGOTWTWTI-SNVBAGLBSA-N 1 2 246.314 2.594 20 0 BFADLO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000895540893 583688074 /nfs/dbraw/zinc/68/80/74/583688074.db2.gz GMULYWVXULABDV-KXGXSXBTSA-N 1 2 229.327 2.810 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000895783581 583727090 /nfs/dbraw/zinc/72/70/90/583727090.db2.gz RRFJJOCTIZSUCZ-SECBINFHSA-N 1 2 235.331 2.579 20 0 BFADLO Fc1c[nH+]ccc1N[C@@H](c1ccccn1)C1CC1 ZINC000895795329 583730382 /nfs/dbraw/zinc/73/03/82/583730382.db2.gz CZYDSFUXLNBAKA-CQSZACIVSA-N 1 2 243.285 2.601 20 0 BFADLO Cc1cc(NC(C)(C)/C=C\Cl)nc[nH+]1 ZINC000895914370 583746085 /nfs/dbraw/zinc/74/60/85/583746085.db2.gz JGHUWWRUHBWNRO-PLNGDYQASA-N 1 2 211.696 2.728 20 0 BFADLO Cc1ccc(C[NH+]2CC(OC(C)C)C2)s1 ZINC000895952507 583751334 /nfs/dbraw/zinc/75/13/34/583751334.db2.gz OXCJHDWFQPQISM-UHFFFAOYSA-N 1 2 225.357 2.666 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857979985 588927163 /nfs/dbraw/zinc/92/71/63/588927163.db2.gz HQWLBGYOWYUTHN-PWSUYJOCSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1nnc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000896021820 583763874 /nfs/dbraw/zinc/76/38/74/583763874.db2.gz OUTBGICHITZQBQ-UHFFFAOYSA-N 1 2 248.355 2.724 20 0 BFADLO C[C@@H]1CCC[C@@H](c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896048018 583765762 /nfs/dbraw/zinc/76/57/62/583765762.db2.gz FFIXKFGPNHSOKS-GHMZBOCLSA-N 1 2 249.358 2.914 20 0 BFADLO C[C@H](c1noc(C2([NH+](C)C)CC2)n1)C(C)(C)C ZINC000896101878 583770545 /nfs/dbraw/zinc/77/05/45/583770545.db2.gz FGROTWJKAYNQJK-SECBINFHSA-N 1 2 237.347 2.770 20 0 BFADLO CCCC[C@@H](CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857988790 588929405 /nfs/dbraw/zinc/92/94/05/588929405.db2.gz MGIOQQUGGCLDBB-NEPJUHHUSA-N 1 2 249.358 2.661 20 0 BFADLO C/C=C(\CC)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998858 588930360 /nfs/dbraw/zinc/93/03/60/588930360.db2.gz KDRLJLJHIPMKDD-NYYWCZLTSA-N 1 2 245.326 2.505 20 0 BFADLO c1ccc(N[C@@H]2CCCc3cccnc32)[nH+]c1 ZINC000896415952 583801284 /nfs/dbraw/zinc/80/12/84/583801284.db2.gz RZOWBBFPCZPCLU-GFCCVEGCSA-N 1 2 225.295 2.966 20 0 BFADLO c1ccc(N[C@H]2CCCc3cccnc32)[nH+]c1 ZINC000896418901 583801940 /nfs/dbraw/zinc/80/19/40/583801940.db2.gz RZOWBBFPCZPCLU-LBPRGKRZSA-N 1 2 225.295 2.966 20 0 BFADLO CC[C@H](C)CC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857999149 588930650 /nfs/dbraw/zinc/93/06/50/588930650.db2.gz QLIZTRZJUVTSTQ-JTQLQIEISA-N 1 2 247.342 2.585 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000795712107 583834629 /nfs/dbraw/zinc/83/46/29/583834629.db2.gz ZERPPTJUBQZQEJ-CYBMUJFWSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1 ZINC000795712107 583834631 /nfs/dbraw/zinc/83/46/31/583834631.db2.gz ZERPPTJUBQZQEJ-CYBMUJFWSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1[nH]c(CNC(=O)CCC2CCCC2)[nH+]c1C ZINC000896930435 583860868 /nfs/dbraw/zinc/86/08/68/583860868.db2.gz YYIJHQIGIVLUEZ-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO CCc1nc(NC2C[C@H]3CC[C@@H](C2)S3)cc[nH+]1 ZINC000896998101 583868470 /nfs/dbraw/zinc/86/84/70/583868470.db2.gz KJYGHXKCPSLGTJ-FGWVZKOKSA-N 1 2 249.383 2.878 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]3CCC[C@H]32)c1C ZINC000897177715 583890625 /nfs/dbraw/zinc/89/06/25/583890625.db2.gz UPZBPOSCZLIITN-IJLUTSLNSA-N 1 2 217.316 2.694 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897177405 583890643 /nfs/dbraw/zinc/89/06/43/583890643.db2.gz OYAJWPGFNDRMON-HBNTYKKESA-N 1 2 218.300 2.691 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000897177404 583890649 /nfs/dbraw/zinc/89/06/49/583890649.db2.gz OYAJWPGFNDRMON-GMTAPVOTSA-N 1 2 218.300 2.691 20 0 BFADLO Cc1cc(N[C@H](c2ccncc2)C2CC2)nc[nH+]1 ZINC000897423882 583964930 /nfs/dbraw/zinc/96/49/30/583964930.db2.gz RWEKVAZMHQUZRL-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCCF ZINC000888130737 583968141 /nfs/dbraw/zinc/96/81/41/583968141.db2.gz CGLDZRLXICYOLC-UHFFFAOYSA-N 1 2 239.294 2.522 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)[C@@H]1C ZINC000888131480 583968433 /nfs/dbraw/zinc/96/84/33/583968433.db2.gz ONKUWYWSETXASK-ONGXEEELSA-N 1 2 233.315 2.571 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccon1)c1ccccc1OC ZINC000148617538 584019087 /nfs/dbraw/zinc/01/90/87/584019087.db2.gz VBOHLXYTQMVWTQ-CYBMUJFWSA-N 1 2 246.310 2.924 20 0 BFADLO c1ccc(N2CCCC[C@@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC000897569411 584019646 /nfs/dbraw/zinc/01/96/46/584019646.db2.gz QCHYBULZJBUGCK-KGLIPLIRSA-N 1 2 246.354 2.725 20 0 BFADLO CC(C)c1cncc(NCc2[nH]cc[nH+]2)c1 ZINC000897707212 584041440 /nfs/dbraw/zinc/04/14/40/584041440.db2.gz IUTAMJUJHMWZJX-UHFFFAOYSA-N 1 2 216.288 2.540 20 0 BFADLO CC(C)c1c[nH+]cc(NC2CSC2)c1 ZINC000897707589 584042121 /nfs/dbraw/zinc/04/21/21/584042121.db2.gz UGBOZCOHIBKJFT-UHFFFAOYSA-N 1 2 208.330 2.732 20 0 BFADLO CCn1ccnc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897711285 584042205 /nfs/dbraw/zinc/04/22/05/584042205.db2.gz BIZXKVQBIQYTIM-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO Cc1[nH]nc(CNc2ccc(C3CC3)c[nH+]2)c1C ZINC000897714958 584043209 /nfs/dbraw/zinc/04/32/09/584043209.db2.gz FEWHVZUFHZBUML-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2F)no1 ZINC000866451672 584119342 /nfs/dbraw/zinc/11/93/42/584119342.db2.gz OKKNVJAEOVMPGV-OUAUKWLOSA-N 1 2 226.295 2.914 20 0 BFADLO Cl/C=C\C[NH2+]Cc1nc(Cl)cs1 ZINC000898430149 584134603 /nfs/dbraw/zinc/13/46/03/584134603.db2.gz VQMLRTCQZFSEFK-UPHRSURJSA-N 1 2 223.128 2.639 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001628 584373850 /nfs/dbraw/zinc/37/38/50/584373850.db2.gz ZNVNKXUTFHFFFV-VQHVLOKHSA-N 1 2 249.358 2.635 20 0 BFADLO CC(=CC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001628 584373851 /nfs/dbraw/zinc/37/38/51/584373851.db2.gz ZNVNKXUTFHFFFV-VQHVLOKHSA-N 1 2 249.358 2.635 20 0 BFADLO C[C@H]1C[C@H]1C(=O)CSc1[nH+]cc2ccccn21 ZINC000901411165 584440896 /nfs/dbraw/zinc/44/08/96/584440896.db2.gz GPOUYDJDLDIDKY-GXSJLCMTSA-N 1 2 246.335 2.652 20 0 BFADLO C[C@@H]1C[C@@H]1C(=O)CSc1[nH+]cc2ccccn21 ZINC000901411167 584440961 /nfs/dbraw/zinc/44/09/61/584440961.db2.gz GPOUYDJDLDIDKY-KOLCDFICSA-N 1 2 246.335 2.652 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CC[C@@H]3CCCO3)ccc2O1 ZINC000901449057 584447928 /nfs/dbraw/zinc/44/79/28/584447928.db2.gz XWNZPLNUXMRRJH-FZMZJTMJSA-N 1 2 247.338 2.991 20 0 BFADLO C/C(=C/c1c[nH+]cn1C(C)C)c1cnccn1 ZINC000901487920 584452680 /nfs/dbraw/zinc/45/26/80/584452680.db2.gz CCNDPMWPDPLSKG-WDZFZDKYSA-N 1 2 228.299 2.815 20 0 BFADLO CCOc1ccc([NH2+]C[C@H]2C[C@]23CCOC3)cc1 ZINC000901947699 584507216 /nfs/dbraw/zinc/50/72/16/584507216.db2.gz POJUVBDYAMWJBQ-DOMZBBRYSA-N 1 2 247.338 2.924 20 0 BFADLO COc1cc(C)ccc1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000901972862 584508767 /nfs/dbraw/zinc/50/87/67/584508767.db2.gz UFBFGIPKBZLGSQ-WFASDCNBSA-N 1 2 247.338 2.842 20 0 BFADLO Cc1[nH]c(CNc2cc(C(C)C)on2)[nH+]c1C ZINC000902048544 584516847 /nfs/dbraw/zinc/51/68/47/584516847.db2.gz IESZUMNOLMFHIS-UHFFFAOYSA-N 1 2 234.303 2.750 20 0 BFADLO CCc1cnc(NCc2[nH+]ccn2C2CC2)s1 ZINC000902056688 584518830 /nfs/dbraw/zinc/51/88/30/584518830.db2.gz CLDXFPXLZYBVCM-UHFFFAOYSA-N 1 2 248.355 2.849 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2)c1 ZINC000902080058 584520848 /nfs/dbraw/zinc/52/08/48/584520848.db2.gz WLJVCEMOEALWNO-UHFFFAOYSA-N 1 2 201.273 2.515 20 0 BFADLO Cc1cnc(Cl)c(CNc2cc(C)[nH+]cn2)c1 ZINC000902194813 584536339 /nfs/dbraw/zinc/53/63/39/584536339.db2.gz IZNAPSYLDPHBGK-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO CCn1cnc(CNc2ccc([NH+](C)C)cc2)c1 ZINC000902347870 584559212 /nfs/dbraw/zinc/55/92/12/584559212.db2.gz WEPXUOZEKROXQK-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cc(OC)no1 ZINC000902354102 584569581 /nfs/dbraw/zinc/56/95/81/584569581.db2.gz LUTRGMDOBKPMJT-UHFFFAOYSA-N 1 2 248.282 2.528 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1C[C@]12CCOC2 ZINC000902355875 584570033 /nfs/dbraw/zinc/57/00/33/584570033.db2.gz VGXMFZYFKSQGFC-DOMZBBRYSA-N 1 2 247.338 2.758 20 0 BFADLO CCn1cnc(CNc2ccc(C)[nH+]c2C)c1 ZINC000902408082 584574791 /nfs/dbraw/zinc/57/47/91/584574791.db2.gz WSQQSEIICDZXKO-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Fc1cc(C[N@@H+]2CCc3sccc3C2)ccn1 ZINC000859062634 588995700 /nfs/dbraw/zinc/99/57/00/588995700.db2.gz SLRVFRMDJJNHLJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cc(C[N@H+]2CCc3sccc3C2)ccn1 ZINC000859062634 588995701 /nfs/dbraw/zinc/99/57/01/588995701.db2.gz SLRVFRMDJJNHLJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Nc1ccc(COc2cccc3c2CCC3)c[nH+]1 ZINC000902453888 584608972 /nfs/dbraw/zinc/60/89/72/584608972.db2.gz CJPHDGZEOJYISZ-UHFFFAOYSA-N 1 2 240.306 2.732 20 0 BFADLO c1cc2cc(OC[C@@H]3CCCO3)ccc2c[nH+]1 ZINC000902637048 584649321 /nfs/dbraw/zinc/64/93/21/584649321.db2.gz HBSRODUEHAMBSY-AWEZNQCLSA-N 1 2 229.279 2.793 20 0 BFADLO Cc1c[nH]c(CNc2cccnc2C2CC2)[nH+]1 ZINC000902694589 584656809 /nfs/dbraw/zinc/65/68/09/584656809.db2.gz HUUXQDKWBVKRPR-UHFFFAOYSA-N 1 2 228.299 2.603 20 0 BFADLO CCc1cnn(Cc2cc(C)cc(C)[nH+]2)c1 ZINC000902763335 584663602 /nfs/dbraw/zinc/66/36/02/584663602.db2.gz UBCLXRGHJNPYIT-UHFFFAOYSA-N 1 2 215.300 2.506 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902920759 584692150 /nfs/dbraw/zinc/69/21/50/584692150.db2.gz IXOLSOKDGMLIBQ-VQJWOFKYSA-N 1 2 244.338 2.615 20 0 BFADLO Cc1ccc(N[C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c[nH+]1 ZINC000902919819 584692272 /nfs/dbraw/zinc/69/22/72/584692272.db2.gz PVUFWYBKDFNKPN-BTFPBAQTSA-N 1 2 244.338 2.615 20 0 BFADLO CCOCCOc1cc[nH+]c2ccc(OC)cc21 ZINC000902899761 584693189 /nfs/dbraw/zinc/69/31/89/584693189.db2.gz FQDCGRWNZPJVKX-UHFFFAOYSA-N 1 2 247.294 2.659 20 0 BFADLO COCCCOc1cc[nH+]c2ccc(OC)cc21 ZINC000902900808 584693512 /nfs/dbraw/zinc/69/35/12/584693512.db2.gz VVWMRBPMXYIIAT-UHFFFAOYSA-N 1 2 247.294 2.659 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902991760 584709755 /nfs/dbraw/zinc/70/97/55/584709755.db2.gz AMYANVWVHUCEHL-ONGXEEELSA-N 1 2 226.270 2.716 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@H](F)C1 ZINC000902991760 584709756 /nfs/dbraw/zinc/70/97/56/584709756.db2.gz AMYANVWVHUCEHL-ONGXEEELSA-N 1 2 226.270 2.716 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)nc1Cl ZINC000902993800 584711861 /nfs/dbraw/zinc/71/18/61/584711861.db2.gz YGQPZZDIADGPER-JTQLQIEISA-N 1 2 242.725 2.977 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@H](F)C2)nc1Cl ZINC000902993800 584711863 /nfs/dbraw/zinc/71/18/63/584711863.db2.gz YGQPZZDIADGPER-JTQLQIEISA-N 1 2 242.725 2.977 20 0 BFADLO Cc1cc(N[C@H]2CCCc3c[nH]nc32)c[nH+]c1C ZINC000903090135 584725839 /nfs/dbraw/zinc/72/58/39/584725839.db2.gz ZJUGNCNUCFURNU-ZDUSSCGKSA-N 1 2 242.326 2.911 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1cncs1 ZINC000903312174 584748217 /nfs/dbraw/zinc/74/82/17/584748217.db2.gz UAZXTVCCVPRRFD-SFYZADRCSA-N 1 2 223.301 2.543 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccco1 ZINC000903329864 584754110 /nfs/dbraw/zinc/75/41/10/584754110.db2.gz FJOQSEJVWXAABA-ZWNOBZJWSA-N 1 2 243.310 2.872 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2CCC=CCCC2)n1 ZINC000904075790 584839892 /nfs/dbraw/zinc/83/98/92/584839892.db2.gz RKEGDYIFVQDGTH-LLVKDONJSA-N 1 2 235.331 2.783 20 0 BFADLO CC[C@@H](C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904258771 584859374 /nfs/dbraw/zinc/85/93/74/584859374.db2.gz SUHIRKOBIYMESQ-SSDOTTSWSA-N 1 2 232.287 2.536 20 0 BFADLO CCCOC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000859173243 589013422 /nfs/dbraw/zinc/01/34/22/589013422.db2.gz YOSAPIZUQNNYLE-UHFFFAOYSA-N 1 2 248.282 2.807 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCc1ccccc1 ZINC000731029305 584920963 /nfs/dbraw/zinc/92/09/63/584920963.db2.gz RLNMGWLRJREKTL-UHFFFAOYSA-N 1 2 246.335 2.989 20 0 BFADLO CCCCCC[C@@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000731867807 584930614 /nfs/dbraw/zinc/93/06/14/584930614.db2.gz WKMTWPCOSDSVQJ-SNVBAGLBSA-N 1 2 237.347 2.807 20 0 BFADLO C[C@H](Cc1ccco1)Nc1cc[nH+]c(C2CC2)n1 ZINC000731966922 584932568 /nfs/dbraw/zinc/93/25/68/584932568.db2.gz UFQJVWJKPRUOCU-SNVBAGLBSA-N 1 2 243.310 2.990 20 0 BFADLO Cc1ccc([C@H](C)NC(=O)c2c[nH+]c(C)[nH]2)s1 ZINC000732276951 584935735 /nfs/dbraw/zinc/93/57/35/584935735.db2.gz XLMQBWJWAWOGOX-QMMMGPOBSA-N 1 2 249.339 2.579 20 0 BFADLO C/C(=C\C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000733966538 584955980 /nfs/dbraw/zinc/95/59/80/584955980.db2.gz CIBVOSYRYZCSNI-CSKARUKUSA-N 1 2 241.294 2.629 20 0 BFADLO CC[N@H+](CC(C)C)CC(F)(F)C(F)F ZINC000736622014 585008084 /nfs/dbraw/zinc/00/80/84/585008084.db2.gz NEBNXQUYNCRNNU-UHFFFAOYSA-N 1 2 215.234 2.865 20 0 BFADLO CC[N@@H+](CC(C)C)CC(F)(F)C(F)F ZINC000736622014 585008085 /nfs/dbraw/zinc/00/80/85/585008085.db2.gz NEBNXQUYNCRNNU-UHFFFAOYSA-N 1 2 215.234 2.865 20 0 BFADLO CC[C@H](C)C[N@H+](C)CC(F)(F)C(F)F ZINC000736622261 585008268 /nfs/dbraw/zinc/00/82/68/585008268.db2.gz OVOFEUCRSGISFI-ZETCQYMHSA-N 1 2 215.234 2.865 20 0 BFADLO CC[C@H](C)C[N@@H+](C)CC(F)(F)C(F)F ZINC000736622261 585008269 /nfs/dbraw/zinc/00/82/69/585008269.db2.gz OVOFEUCRSGISFI-ZETCQYMHSA-N 1 2 215.234 2.865 20 0 BFADLO CCCCNc1[nH+]c2ccccc2n1C[C@H](C)O ZINC000840741065 585026395 /nfs/dbraw/zinc/02/63/95/585026395.db2.gz DKYVRWMYWOZCSQ-NSHDSACASA-N 1 2 247.342 2.629 20 0 BFADLO CC(C)([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000103173139 585067723 /nfs/dbraw/zinc/06/77/23/585067723.db2.gz SDZNITAVUSSTPF-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO Cc1ccc(C[N@H+](Cc2cnccn2)C2CC2)o1 ZINC000838789488 585070289 /nfs/dbraw/zinc/07/02/89/585070289.db2.gz QLJPRIZSQPSTFE-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccc(C[N@@H+](Cc2cnccn2)C2CC2)o1 ZINC000838789488 585070290 /nfs/dbraw/zinc/07/02/90/585070290.db2.gz QLJPRIZSQPSTFE-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccc([N@H+](C[C@@H](C)CO)C(C)C)cc1 ZINC000121355519 585087677 /nfs/dbraw/zinc/08/76/77/585087677.db2.gz XVDMDXSJJWUWGS-CYBMUJFWSA-N 1 2 221.344 2.838 20 0 BFADLO Cc1ccc([N@@H+](C[C@@H](C)CO)C(C)C)cc1 ZINC000121355519 585087678 /nfs/dbraw/zinc/08/76/78/585087678.db2.gz XVDMDXSJJWUWGS-CYBMUJFWSA-N 1 2 221.344 2.838 20 0 BFADLO C=COc1ccc([NH2+]C[C@H](C)COC)cc1 ZINC000839154023 585092567 /nfs/dbraw/zinc/09/25/67/585092567.db2.gz HVNSMPSZHVZNML-NSHDSACASA-N 1 2 221.300 2.903 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000839132565 585094240 /nfs/dbraw/zinc/09/42/40/585094240.db2.gz IHWRADDWDIZMBZ-WCQYABFASA-N 1 2 249.354 2.606 20 0 BFADLO Cc1cc(C[NH+]2CC(C(F)F)C2)cnc1Cl ZINC000839140530 585094268 /nfs/dbraw/zinc/09/42/68/585094268.db2.gz DMMMNGBRBCIQNN-UHFFFAOYSA-N 1 2 246.688 2.740 20 0 BFADLO C[C@@H](CC(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000839361067 585101977 /nfs/dbraw/zinc/10/19/77/585101977.db2.gz VFOKILFLYJWZHT-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO CCCOC(=O)[C@@H](C)[NH2+]C(C)(C)c1ccccc1 ZINC000741780694 585118768 /nfs/dbraw/zinc/11/87/68/585118768.db2.gz OAUIAKNGWAMYFH-GFCCVEGCSA-N 1 2 249.354 2.853 20 0 BFADLO CC/C=C(/C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000741970459 585121240 /nfs/dbraw/zinc/12/12/40/585121240.db2.gz HERCWNOBGHJRFW-YHYXMXQVSA-N 1 2 229.283 2.629 20 0 BFADLO CC1(C)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000743862396 585141179 /nfs/dbraw/zinc/14/11/79/585141179.db2.gz AOLJBPYTGLQVAB-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO CC1(C)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743862396 585141180 /nfs/dbraw/zinc/14/11/80/585141180.db2.gz AOLJBPYTGLQVAB-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO FCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000746498929 585168666 /nfs/dbraw/zinc/16/86/66/585168666.db2.gz DRKDOHFYWZCWMM-OAHLLOKOSA-N 1 2 244.313 2.863 20 0 BFADLO FCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000746498929 585168667 /nfs/dbraw/zinc/16/86/67/585168667.db2.gz DRKDOHFYWZCWMM-OAHLLOKOSA-N 1 2 244.313 2.863 20 0 BFADLO CCOC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000746504553 585169314 /nfs/dbraw/zinc/16/93/14/585169314.db2.gz WNSIIYAZJMBJFA-CLFYSBASSA-N 1 2 238.158 2.806 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1Cn1cc[nH]c1=S ZINC000747462875 585179158 /nfs/dbraw/zinc/17/91/58/585179158.db2.gz OHMFLHPLANFSPO-SNVBAGLBSA-N 1 2 245.351 2.706 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1Cn1cc[nH]c1=S ZINC000747462875 585179159 /nfs/dbraw/zinc/17/91/59/585179159.db2.gz OHMFLHPLANFSPO-SNVBAGLBSA-N 1 2 245.351 2.706 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cccnc1Cl ZINC000747532108 585180456 /nfs/dbraw/zinc/18/04/56/585180456.db2.gz IBNMIFZODZQKHU-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cccnc1Cl ZINC000747532108 585180457 /nfs/dbraw/zinc/18/04/57/585180457.db2.gz IBNMIFZODZQKHU-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO Cn1c[nH+]cc1COC(=O)/C=C\C1CCCCC1 ZINC000747784710 585184309 /nfs/dbraw/zinc/18/43/09/585184309.db2.gz ZJFJKQVCUAZBTE-FPLPWBNLSA-N 1 2 248.326 2.600 20 0 BFADLO CCC[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000748123788 585187651 /nfs/dbraw/zinc/18/76/51/585187651.db2.gz YWVHJAOLZVAYOX-JTQLQIEISA-N 1 2 232.283 2.680 20 0 BFADLO CCCCC[C@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000748322186 585190738 /nfs/dbraw/zinc/19/07/38/585190738.db2.gz UXRAUYNZXAYULG-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCCCC[C@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000748322186 585190739 /nfs/dbraw/zinc/19/07/39/585190739.db2.gz UXRAUYNZXAYULG-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCC/C=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000750529351 585216618 /nfs/dbraw/zinc/21/66/18/585216618.db2.gz RXAWQYKBHSIDLV-BQYQJAHWSA-N 1 2 247.342 2.751 20 0 BFADLO CC=C(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000751310407 585226471 /nfs/dbraw/zinc/22/64/71/585226471.db2.gz BBALZUJNYOLJOM-YWEYNIOJSA-N 1 2 229.283 2.776 20 0 BFADLO CSC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000751570512 585233175 /nfs/dbraw/zinc/23/31/75/585233175.db2.gz MBSMPZOBFNOQMV-AATRIKPKSA-N 1 2 247.323 2.687 20 0 BFADLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccccc1 ZINC000753569639 585262077 /nfs/dbraw/zinc/26/20/77/585262077.db2.gz RXKQNMFSDBNGPN-CQSZACIVSA-N 1 2 247.338 2.508 20 0 BFADLO CCC(=O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000753745129 585267875 /nfs/dbraw/zinc/26/78/75/585267875.db2.gz JAPKCJHXNZCVGV-UHFFFAOYSA-N 1 2 233.302 2.723 20 0 BFADLO CCC(=O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000753745129 585267876 /nfs/dbraw/zinc/26/78/76/585267876.db2.gz JAPKCJHXNZCVGV-UHFFFAOYSA-N 1 2 233.302 2.723 20 0 BFADLO C[C@H]1CSCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000753835464 585270590 /nfs/dbraw/zinc/27/05/90/585270590.db2.gz YVVHSPJUJDPZRU-SSDOTTSWSA-N 1 2 245.285 2.572 20 0 BFADLO C[C@H]1CSCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000753835464 585270591 /nfs/dbraw/zinc/27/05/91/585270591.db2.gz YVVHSPJUJDPZRU-SSDOTTSWSA-N 1 2 245.285 2.572 20 0 BFADLO CC[N@H+](CC[C@H]1CCOC1=O)c1ccc(C)cc1 ZINC000753844659 585270690 /nfs/dbraw/zinc/27/06/90/585270690.db2.gz VGQCTFXFWLKRAQ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@H]1CCOC1=O)c1ccc(C)cc1 ZINC000753844659 585270691 /nfs/dbraw/zinc/27/06/91/585270691.db2.gz VGQCTFXFWLKRAQ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CCCCO[NH+]=C(N)Cc1cccs1 ZINC000754293208 585282274 /nfs/dbraw/zinc/28/22/74/585282274.db2.gz QDMYKFCWJJXNCA-UHFFFAOYSA-N 1 2 212.318 2.589 20 0 BFADLO CCC/C=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000755768893 585306466 /nfs/dbraw/zinc/30/64/66/585306466.db2.gz ADLNHSLGLJPDDX-VOTSOKGWSA-N 1 2 218.300 2.993 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccon1)c1cccnc1 ZINC000756635806 585321834 /nfs/dbraw/zinc/32/18/34/585321834.db2.gz HOGCFIVTDCGAMP-CYBMUJFWSA-N 1 2 231.299 2.701 20 0 BFADLO Cc1cnc(Nc2ccc([NH+](C)C)c(C)c2)nc1 ZINC000758139062 585350717 /nfs/dbraw/zinc/35/07/17/585350717.db2.gz GOSXYMDGMFMDJQ-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OC1CCCC1 ZINC000758768722 585359551 /nfs/dbraw/zinc/35/95/51/585359551.db2.gz MKGXUPYUSNXZRM-UHFFFAOYSA-N 1 2 218.300 2.784 20 0 BFADLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCF)CC3 ZINC000759340569 585368669 /nfs/dbraw/zinc/36/86/69/585368669.db2.gz WZLBMOQXCIVQBN-UHFFFAOYSA-N 1 2 232.302 2.804 20 0 BFADLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCF)CC3 ZINC000759340569 585368670 /nfs/dbraw/zinc/36/86/70/585368670.db2.gz WZLBMOQXCIVQBN-UHFFFAOYSA-N 1 2 232.302 2.804 20 0 BFADLO Cc1ccccc1[C@H]1C[N@H+](CCF)[C@H](C)CO1 ZINC000759348266 585370821 /nfs/dbraw/zinc/37/08/21/585370821.db2.gz SUSSMYGBABWAJF-TZMCWYRMSA-N 1 2 237.318 2.726 20 0 BFADLO Cc1ccccc1[C@H]1C[N@@H+](CCF)[C@H](C)CO1 ZINC000759348266 585370822 /nfs/dbraw/zinc/37/08/22/585370822.db2.gz SUSSMYGBABWAJF-TZMCWYRMSA-N 1 2 237.318 2.726 20 0 BFADLO CCCCCC[C@H](O)C[N@@H+]1CCC(F)(F)C1 ZINC000759430929 585372865 /nfs/dbraw/zinc/37/28/65/585372865.db2.gz WMJPKWWYDMFQQL-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[C@H](O)C[N@H+]1CCC(F)(F)C1 ZINC000759430929 585372866 /nfs/dbraw/zinc/37/28/66/585372866.db2.gz WMJPKWWYDMFQQL-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1ccc[nH]1 ZINC000760274822 585388640 /nfs/dbraw/zinc/38/86/40/585388640.db2.gz WBMUVEAMSCZNFV-VIFPVBQESA-N 1 2 228.299 2.855 20 0 BFADLO C[C@H]([NH2+]Cc1n[nH]c2ccccc21)c1ccc[nH]1 ZINC000760446776 585392671 /nfs/dbraw/zinc/39/26/71/585392671.db2.gz VXSDJYIZOBAAGZ-JTQLQIEISA-N 1 2 240.310 2.742 20 0 BFADLO FC(F)(F)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000761038420 585403813 /nfs/dbraw/zinc/40/38/13/585403813.db2.gz AGELIMHENBQKJK-ZETCQYMHSA-N 1 2 236.262 2.527 20 0 BFADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000761038420 585403814 /nfs/dbraw/zinc/40/38/14/585403814.db2.gz AGELIMHENBQKJK-ZETCQYMHSA-N 1 2 236.262 2.527 20 0 BFADLO Clc1cc(C[N@@H+]2CC[C@H]3C[C@H]32)cc(Cl)n1 ZINC000761101447 585409575 /nfs/dbraw/zinc/40/95/75/585409575.db2.gz XLMDMIOTHGVIHP-DTWKUNHWSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cc(C[N@H+]2CC[C@H]3C[C@H]32)cc(Cl)n1 ZINC000761101447 585409576 /nfs/dbraw/zinc/40/95/76/585409576.db2.gz XLMDMIOTHGVIHP-DTWKUNHWSA-N 1 2 243.137 2.983 20 0 BFADLO CC(C)CCCO[NH+]=C(N)Cc1cccnc1 ZINC000762215045 585429370 /nfs/dbraw/zinc/42/93/70/585429370.db2.gz QTSGCGIPIUXLNW-UHFFFAOYSA-N 1 2 235.331 2.559 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000763271627 585445693 /nfs/dbraw/zinc/44/56/93/585445693.db2.gz LVSKSFSHMFJVLM-QWHCGFSZSA-N 1 2 249.354 2.721 20 0 BFADLO CC[N@@H+](C/C(Cl)=C/Cl)C[C@H]1CCCO1 ZINC000763553254 585450549 /nfs/dbraw/zinc/45/05/49/585450549.db2.gz KZNHCRAQNBTMRK-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@H+](C/C(Cl)=C/Cl)C[C@H]1CCCO1 ZINC000763553254 585450550 /nfs/dbraw/zinc/45/05/50/585450550.db2.gz KZNHCRAQNBTMRK-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)OCC(N)=[NH+]OCC1CCCCCC1 ZINC000766404310 585501974 /nfs/dbraw/zinc/50/19/74/585501974.db2.gz GSBVHXNDCUIFIE-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO CC(C)(C(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000766887073 585509197 /nfs/dbraw/zinc/50/91/97/585509197.db2.gz LOINJFLJHWRZFN-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccn(C(C)C)n2)c(C)o1 ZINC000767381944 585518784 /nfs/dbraw/zinc/51/87/84/585518784.db2.gz ZDNRHHZAUMFTIT-UHFFFAOYSA-N 1 2 247.342 2.964 20 0 BFADLO CC/C=C\CCOC(=O)c1ccc2[nH+]ccn2c1 ZINC000767539551 585522325 /nfs/dbraw/zinc/52/23/25/585522325.db2.gz XNBXBGZIILSBPT-ARJAWSKDSA-N 1 2 244.294 2.847 20 0 BFADLO Cl/C=C/C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000767902487 585527866 /nfs/dbraw/zinc/52/78/66/585527866.db2.gz QETWGNVCXIOESU-ZZXKWVIFSA-N 1 2 247.729 2.715 20 0 BFADLO CC/C=C/CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000768922187 585546195 /nfs/dbraw/zinc/54/61/95/585546195.db2.gz KICCWQMTTKWYMX-SYTKJHMZSA-N 1 2 242.363 2.902 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)COc1ccccc1 ZINC000768925163 585546209 /nfs/dbraw/zinc/54/62/09/585546209.db2.gz FDRRXPOTFZCZJQ-ARJAWSKDSA-N 1 2 248.326 2.920 20 0 BFADLO Cn1c(Cl)nc(Cl)c1C[N@@H+]1CCC1(C)C ZINC000769447201 585556841 /nfs/dbraw/zinc/55/68/41/585556841.db2.gz UWHKIILXCGEPHW-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO Cn1c(Cl)nc(Cl)c1C[N@H+]1CCC1(C)C ZINC000769447201 585556842 /nfs/dbraw/zinc/55/68/42/585556842.db2.gz UWHKIILXCGEPHW-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO c1cc(C[N@@H+]2CCOC[C@H]2c2ccccc2)co1 ZINC000769503319 585558502 /nfs/dbraw/zinc/55/85/02/585558502.db2.gz GJSLVEXYAKGLKA-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO c1cc(C[N@H+]2CCOC[C@H]2c2ccccc2)co1 ZINC000769503319 585558503 /nfs/dbraw/zinc/55/85/03/585558503.db2.gz GJSLVEXYAKGLKA-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO O=C(OC1CCCCC1)c1cccc2[nH+]ccn21 ZINC000770037257 585570068 /nfs/dbraw/zinc/57/00/68/585570068.db2.gz FVEVHEVOJFGLDQ-UHFFFAOYSA-N 1 2 244.294 2.824 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C[C@@H](C)C1CC1 ZINC000805427035 585592211 /nfs/dbraw/zinc/59/22/11/585592211.db2.gz YIUBQMUVCKSJHH-SNVBAGLBSA-N 1 2 249.310 2.570 20 0 BFADLO CCCC[C@@H](CC)C(=O)OCCn1cc[nH+]c1 ZINC000771919828 585604414 /nfs/dbraw/zinc/60/44/14/585604414.db2.gz VWAADELFAMFACJ-GFCCVEGCSA-N 1 2 238.331 2.643 20 0 BFADLO CCC(CC)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000772001265 585606614 /nfs/dbraw/zinc/60/66/14/585606614.db2.gz CVBYPZGEZZMEGX-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000772210740 585610093 /nfs/dbraw/zinc/61/00/93/585610093.db2.gz GQCPLOXJFOUWJO-GFCCVEGCSA-N 1 2 233.311 2.788 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(F)cn1 ZINC000773085206 585630989 /nfs/dbraw/zinc/63/09/89/585630989.db2.gz GXFVOGNKCNLJFO-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO FCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000773536534 585639621 /nfs/dbraw/zinc/63/96/21/585639621.db2.gz OCMQBSHLFFZECR-UHFFFAOYSA-N 1 2 236.315 2.665 20 0 BFADLO CCCC1(C(=O)OCc2c[nH+]ccc2OC)CC1 ZINC000805493774 585644079 /nfs/dbraw/zinc/64/40/79/585644079.db2.gz DZKMCPQCCJSJKS-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C1=C(C)CCC1 ZINC000805512220 585660358 /nfs/dbraw/zinc/66/03/58/585660358.db2.gz QIYNORHUONURPI-UHFFFAOYSA-N 1 2 247.294 2.634 20 0 BFADLO CC[C@H]([NH2+]CC(=O)OCC(C)C)c1ccccc1 ZINC000776606351 585702743 /nfs/dbraw/zinc/70/27/43/585702743.db2.gz VMUAVIBWQVUIEV-AWEZNQCLSA-N 1 2 249.354 2.927 20 0 BFADLO CCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776832460 585705946 /nfs/dbraw/zinc/70/59/46/585705946.db2.gz GALJQIVLCOTLHO-UHFFFAOYSA-N 1 2 207.664 2.618 20 0 BFADLO CCC[C@H](CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000776860954 585706132 /nfs/dbraw/zinc/70/61/32/585706132.db2.gz QCIJPZJUQMPEQP-NSHDSACASA-N 1 2 245.326 2.643 20 0 BFADLO Clc1ccc(COCc2[nH]cc[nH+]2)s1 ZINC000776860127 585706176 /nfs/dbraw/zinc/70/61/76/585706176.db2.gz QOHZHYOOVVLUDW-UHFFFAOYSA-N 1 2 228.704 2.841 20 0 BFADLO CCC(C)(C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC000776915641 585706671 /nfs/dbraw/zinc/70/66/71/585706671.db2.gz PDSULYYUDZAAKA-UHFFFAOYSA-N 1 2 245.326 2.595 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1ccc(CF)cc1 ZINC000777589231 585716507 /nfs/dbraw/zinc/71/65/07/585716507.db2.gz RNVUZVKQPLCOAK-UHFFFAOYSA-N 1 2 234.274 2.776 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1ccc(CF)cc1 ZINC000777589231 585716508 /nfs/dbraw/zinc/71/65/08/585716508.db2.gz RNVUZVKQPLCOAK-UHFFFAOYSA-N 1 2 234.274 2.776 20 0 BFADLO Cc1cc(N2CCCC2)ccc1[NH2+][C@H](C)CCO ZINC000779416274 585754175 /nfs/dbraw/zinc/75/41/75/585754175.db2.gz LZZCKMZQPYAPQH-CYBMUJFWSA-N 1 2 248.370 2.778 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000780736988 585783941 /nfs/dbraw/zinc/78/39/41/585783941.db2.gz CMISXRFQEKIOGK-RYUDHWBXSA-N 1 2 235.327 2.922 20 0 BFADLO CN(C)c1cc(CSc2ccccn2)cc[nH+]1 ZINC000782112258 585807844 /nfs/dbraw/zinc/80/78/44/585807844.db2.gz YYCPUABQRTYKDU-UHFFFAOYSA-N 1 2 245.351 2.835 20 0 BFADLO O=C(C=C1CCCCC1)OCCCn1cc[nH+]c1 ZINC000783139654 585828447 /nfs/dbraw/zinc/82/84/47/585828447.db2.gz ZYBPYZLSGGJUMM-UHFFFAOYSA-N 1 2 248.326 2.707 20 0 BFADLO CC[C@H](C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783157283 585828625 /nfs/dbraw/zinc/82/86/25/585828625.db2.gz PRGUCIXTHQLNDP-JTQLQIEISA-N 1 2 238.306 2.913 20 0 BFADLO CCC(C)(C)CC(=O)OCCCn1cc[nH+]c1 ZINC000783947264 585846146 /nfs/dbraw/zinc/84/61/46/585846146.db2.gz LQYFZRIYRDPFJK-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO NC(=[NH+]OCCCC1CCCC1)[C@H]1CCCO1 ZINC000789607347 585946095 /nfs/dbraw/zinc/94/60/95/585946095.db2.gz BOQTWFYVRADXSC-GFCCVEGCSA-N 1 2 240.347 2.634 20 0 BFADLO Cc1ccccc1OCCOc1cc[nH+]cc1 ZINC000789741532 585949195 /nfs/dbraw/zinc/94/91/95/585949195.db2.gz NAVDZWAPYUEALX-UHFFFAOYSA-N 1 2 229.279 2.848 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000789742894 585949256 /nfs/dbraw/zinc/94/92/56/585949256.db2.gz CWKUQKJGUAUTDX-RSKUSDAESA-N 1 2 247.338 2.631 20 0 BFADLO COc1ncc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000791575084 585984553 /nfs/dbraw/zinc/98/45/53/585984553.db2.gz AFMNTDCATRISSR-IUCAKERBSA-N 1 2 240.734 2.726 20 0 BFADLO CCC(CC)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792022611 585994019 /nfs/dbraw/zinc/99/40/19/585994019.db2.gz DSHJVGAJYXLTEI-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CC1(C)CCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000792149386 585996792 /nfs/dbraw/zinc/99/67/92/585996792.db2.gz GZFSHTZCXBRQED-NSHDSACASA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncccn2)Cc2ccccc21 ZINC000792204861 585997808 /nfs/dbraw/zinc/99/78/08/585997808.db2.gz GRDKARMMZYGGQB-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncccn2)Cc2ccccc21 ZINC000792204861 585997809 /nfs/dbraw/zinc/99/78/09/585997809.db2.gz GRDKARMMZYGGQB-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO Cc1cccn2cc(COC(=O)CC(C)C)[nH+]c12 ZINC000794556847 586044031 /nfs/dbraw/zinc/04/40/31/586044031.db2.gz XGZZVIWGKLGTJK-UHFFFAOYSA-N 1 2 246.310 2.732 20 0 BFADLO Cc1c(Cl)cnn1C[NH+]1CCC(F)(F)CC1 ZINC000794684753 586046824 /nfs/dbraw/zinc/04/68/24/586046824.db2.gz AMFIHPNGAGQDHL-UHFFFAOYSA-N 1 2 249.692 2.534 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OCCCCF ZINC000795222535 586072512 /nfs/dbraw/zinc/07/25/12/586072512.db2.gz LEZRYJLJODZDFJ-UHFFFAOYSA-N 1 2 242.269 2.616 20 0 BFADLO FC1(F)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000795274471 586074183 /nfs/dbraw/zinc/07/41/83/586074183.db2.gz QNDDNRXMRBCRQA-UHFFFAOYSA-N 1 2 237.253 2.798 20 0 BFADLO Cc1cnc([C@@H](C)[NH+]2CCC(F)(F)CC2)o1 ZINC000796540806 586106432 /nfs/dbraw/zinc/10/64/32/586106432.db2.gz VIPCCYKSZVOKPO-SECBINFHSA-N 1 2 230.258 2.775 20 0 BFADLO CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000796918004 586116982 /nfs/dbraw/zinc/11/69/82/586116982.db2.gz KYBQWIYVNLWXTR-CABCVRRESA-N 1 2 249.354 2.904 20 0 BFADLO CC1=C(C)C[N@H+](Cc2cnc(Cl)cn2)CC1 ZINC000799169771 586164786 /nfs/dbraw/zinc/16/47/86/586164786.db2.gz OOXBUDHRLJECAM-UHFFFAOYSA-N 1 2 237.734 2.672 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2cnc(Cl)cn2)CC1 ZINC000799169771 586164788 /nfs/dbraw/zinc/16/47/88/586164788.db2.gz OOXBUDHRLJECAM-UHFFFAOYSA-N 1 2 237.734 2.672 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000802654247 586307172 /nfs/dbraw/zinc/30/71/72/586307172.db2.gz WBKSGOXRBFPJGS-VIFPVBQESA-N 1 2 247.310 2.522 20 0 BFADLO Cc1ccsc1C[N@H+]1CCO[C@H](C(F)F)C1 ZINC000802654247 586307173 /nfs/dbraw/zinc/30/71/73/586307173.db2.gz WBKSGOXRBFPJGS-VIFPVBQESA-N 1 2 247.310 2.522 20 0 BFADLO CC(C)Oc1cc[nH+]c(C2=CCOCC2)c1 ZINC000757569798 586381081 /nfs/dbraw/zinc/38/10/81/586381081.db2.gz ACHRJHPOIZZGMI-UHFFFAOYSA-N 1 2 219.284 2.673 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000806157364 586405768 /nfs/dbraw/zinc/40/57/68/586405768.db2.gz QTYULORSKGGEEZ-RISCZKNCSA-N 1 2 235.327 2.658 20 0 BFADLO Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1cocn1 ZINC000806153316 586406051 /nfs/dbraw/zinc/40/60/51/586406051.db2.gz MUPWATKCPZRGIM-JTQLQIEISA-N 1 2 249.701 2.500 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCC2(F)F)n(C)n1 ZINC000806181266 586407515 /nfs/dbraw/zinc/40/75/15/586407515.db2.gz WBYPREZAGYEADX-ONGXEEELSA-N 1 2 243.301 2.567 20 0 BFADLO CC(C)=CCO[NH+]=C(N)c1cccc(F)c1 ZINC000808255969 586468735 /nfs/dbraw/zinc/46/87/35/586468735.db2.gz IGHFGEXYIDIVNJ-UHFFFAOYSA-N 1 2 222.263 2.638 20 0 BFADLO CO[C@@H](C)c1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000808399395 586470943 /nfs/dbraw/zinc/47/09/43/586470943.db2.gz QVJJZQJEZVFIAT-NSHDSACASA-N 1 2 245.326 2.740 20 0 BFADLO COc1cc(C)c(NCc2cn(C)c[nH+]2)cc1C ZINC000808411467 586471504 /nfs/dbraw/zinc/47/15/04/586471504.db2.gz ZSTZPMPEOPQSMU-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2nonc2C)c1 ZINC000809744708 586516747 /nfs/dbraw/zinc/51/67/47/586516747.db2.gz ZCUGJGISLWPSDK-UHFFFAOYSA-N 1 2 245.326 2.620 20 0 BFADLO C[C@@H](Nc1cc(NC2CC2)[nH+]cn1)c1ccc[nH]1 ZINC000840279720 586594714 /nfs/dbraw/zinc/59/47/14/586594714.db2.gz FNZVYCGCDJIQCF-SECBINFHSA-N 1 2 243.314 2.552 20 0 BFADLO C[C@@H](Nc1cc(NC2CC2)nc[nH+]1)c1ccc[nH]1 ZINC000840279720 586594715 /nfs/dbraw/zinc/59/47/15/586594715.db2.gz FNZVYCGCDJIQCF-SECBINFHSA-N 1 2 243.314 2.552 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000814178787 586615890 /nfs/dbraw/zinc/61/58/90/586615890.db2.gz CZAJDCNSCKKRNU-ZETCQYMHSA-N 1 2 248.157 2.711 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000814178787 586615891 /nfs/dbraw/zinc/61/58/91/586615891.db2.gz CZAJDCNSCKKRNU-ZETCQYMHSA-N 1 2 248.157 2.711 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c(Cl)nc(Cl)n2C)[C@H]1C ZINC000816646489 586748702 /nfs/dbraw/zinc/74/87/02/586748702.db2.gz DVQKYLFPDMCRSM-RQJHMYQMSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c(Cl)nc(Cl)n2C)[C@H]1C ZINC000816646489 586748704 /nfs/dbraw/zinc/74/87/04/586748704.db2.gz DVQKYLFPDMCRSM-RQJHMYQMSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c(F)ccc(O)c2F)[C@H]1C ZINC000816648218 586750659 /nfs/dbraw/zinc/75/06/59/586750659.db2.gz GXOSMGXIQPYJQX-SFYZADRCSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c(F)ccc(O)c2F)[C@H]1C ZINC000816648218 586750661 /nfs/dbraw/zinc/75/06/61/586750661.db2.gz GXOSMGXIQPYJQX-SFYZADRCSA-N 1 2 227.254 2.511 20 0 BFADLO Cc1ccc(COC(=O)[C@@H]2CC23CC3)c(C)[nH+]1 ZINC000817233820 586788826 /nfs/dbraw/zinc/78/88/26/586788826.db2.gz XELODFBZGSRJDI-LBPRGKRZSA-N 1 2 231.295 2.542 20 0 BFADLO CC[C@@H]([NH2+][C@H]1CCOC1=O)c1cc(C)ccc1C ZINC000859935825 589072572 /nfs/dbraw/zinc/07/25/72/589072572.db2.gz ZJJVGONGWLEJJR-KGLIPLIRSA-N 1 2 247.338 2.660 20 0 BFADLO Cc1cc(NCC2(O)CCCC2)ccc1[NH+](C)C ZINC000819408859 586962022 /nfs/dbraw/zinc/96/20/22/586962022.db2.gz USXONSGRVWTMSH-UHFFFAOYSA-N 1 2 248.370 2.778 20 0 BFADLO CCCC[C@@H](CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819763385 586990835 /nfs/dbraw/zinc/99/08/35/586990835.db2.gz BNSTXOWZLZBTBX-VHSXEESVSA-N 1 2 242.388 2.810 20 0 BFADLO CCC[C@H](C(=O)NC1=[NH+]C[C@H](C)S1)C(C)C ZINC000819776445 586992371 /nfs/dbraw/zinc/99/23/71/586992371.db2.gz MBJKKQSQFWNURI-UWVGGRQHSA-N 1 2 242.388 2.666 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781447 586994138 /nfs/dbraw/zinc/99/41/38/586994138.db2.gz OKBDSDNLKRBINV-UWVGGRQHSA-N 1 2 242.388 2.666 20 0 BFADLO CCCCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000820191595 587033890 /nfs/dbraw/zinc/03/38/90/587033890.db2.gz JAENSNQYWOIDBQ-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO CCC[C@@H](CC)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000821515425 587124011 /nfs/dbraw/zinc/12/40/11/587124011.db2.gz GRZCDAPAUQBPLJ-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)[C@H]1CC12CC2 ZINC000822304543 587161234 /nfs/dbraw/zinc/16/12/34/587161234.db2.gz PYPSFOOVUJWQCZ-SECBINFHSA-N 1 2 248.326 2.551 20 0 BFADLO CCCC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822323524 587162284 /nfs/dbraw/zinc/16/22/84/587162284.db2.gz JFQVKNYRZSEDQO-UHFFFAOYSA-N 1 2 224.304 2.551 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@@H+]1Cc2cccnc2C1 ZINC000823011439 587198074 /nfs/dbraw/zinc/19/80/74/587198074.db2.gz BJEKLSXZEDOPIW-VIFPVBQESA-N 1 2 243.137 2.591 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@H+]1Cc2cccnc2C1 ZINC000823011439 587198075 /nfs/dbraw/zinc/19/80/75/587198075.db2.gz BJEKLSXZEDOPIW-VIFPVBQESA-N 1 2 243.137 2.591 20 0 BFADLO Cc1cc(C)c(NC(=O)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000823013184 587198132 /nfs/dbraw/zinc/19/81/32/587198132.db2.gz YHTQNCFFSMFNEA-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO Cc1cc(CNC(=O)C2(C)CC=CC2)cc(C)[nH+]1 ZINC000823056651 587200364 /nfs/dbraw/zinc/20/03/64/587200364.db2.gz DXEGQDSSFKRNNV-UHFFFAOYSA-N 1 2 244.338 2.671 20 0 BFADLO CS/C=C/C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836669 587241911 /nfs/dbraw/zinc/24/19/11/587241911.db2.gz OTSPFMCZYMRQQR-FNORWQNLSA-N 1 2 222.313 2.514 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](F)C(C)C ZINC000823837120 587242146 /nfs/dbraw/zinc/24/21/46/587242146.db2.gz ZCOZREPFADDDMV-JTQLQIEISA-N 1 2 224.279 2.631 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000824471558 587271352 /nfs/dbraw/zinc/27/13/52/587271352.db2.gz FDWPAMIAUNNUIL-CQSZACIVSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000824471558 587271353 /nfs/dbraw/zinc/27/13/53/587271353.db2.gz FDWPAMIAUNNUIL-CQSZACIVSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000824471974 587271411 /nfs/dbraw/zinc/27/14/11/587271411.db2.gz LJYLPIDNEWZAMK-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000824471974 587271412 /nfs/dbraw/zinc/27/14/12/587271412.db2.gz LJYLPIDNEWZAMK-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c(C)o1 ZINC000825017119 587299183 /nfs/dbraw/zinc/29/91/83/587299183.db2.gz MAZSTWCOKCEYDL-ZANVPECISA-N 1 2 245.326 2.889 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(F)cc2C)co1 ZINC000825051223 587300243 /nfs/dbraw/zinc/30/02/43/587300243.db2.gz ZFUACZPGFRMSGL-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CC(C(=O)Nc1ccc2[nH+]ccn2c1)=C1CCC1 ZINC000825863202 587342679 /nfs/dbraw/zinc/34/26/79/587342679.db2.gz OCSXSJHJELNUBX-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO C[C@@H]([NH2+]C(CF)CF)c1cc2cnccc2o1 ZINC000826030097 587348952 /nfs/dbraw/zinc/34/89/52/587348952.db2.gz OPVXTWWWKDUGTH-MRVPVSSYSA-N 1 2 240.253 2.786 20 0 BFADLO COCC[N@H+](CCF)Cc1cccc(C)c1F ZINC000827049275 587368818 /nfs/dbraw/zinc/36/88/18/587368818.db2.gz VTDVZGUBQZVUMF-UHFFFAOYSA-N 1 2 243.297 2.552 20 0 BFADLO COCC[N@@H+](CCF)Cc1cccc(C)c1F ZINC000827049275 587368819 /nfs/dbraw/zinc/36/88/19/587368819.db2.gz VTDVZGUBQZVUMF-UHFFFAOYSA-N 1 2 243.297 2.552 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000827553092 587387357 /nfs/dbraw/zinc/38/73/57/587387357.db2.gz YYRBPNWRJBCIBZ-MDZDMXLPSA-N 1 2 247.342 2.751 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC1=CCCC1)C(C)(C)C ZINC000828082589 587418387 /nfs/dbraw/zinc/41/83/87/587418387.db2.gz MOYKFRVNUPWHPS-GFCCVEGCSA-N 1 2 239.359 2.664 20 0 BFADLO CCc1ccc([N@H+](CC)CC[C@@H](C)O)cc1 ZINC000828206220 587423993 /nfs/dbraw/zinc/42/39/93/587423993.db2.gz RRENROCUBTZOIK-GFCCVEGCSA-N 1 2 221.344 2.846 20 0 BFADLO CCc1ccc([N@@H+](CC)CC[C@@H](C)O)cc1 ZINC000828206220 587423994 /nfs/dbraw/zinc/42/39/94/587423994.db2.gz RRENROCUBTZOIK-GFCCVEGCSA-N 1 2 221.344 2.846 20 0 BFADLO Clc1cnc(N[C@@H]2CCn3cc[nH+]c32)s1 ZINC000828359290 587438557 /nfs/dbraw/zinc/43/85/57/587438557.db2.gz ZHVFDOHDRCSSKY-ZCFIWIBFSA-N 1 2 240.719 2.550 20 0 BFADLO CCCCC[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000830499458 587554393 /nfs/dbraw/zinc/55/43/93/587554393.db2.gz WOPZHWINDQAYGX-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO O=C(/C=C/C1CCCC1)OCCCn1cc[nH+]c1 ZINC000830787203 587570284 /nfs/dbraw/zinc/57/02/84/587570284.db2.gz ATHOWBXRDVQFRT-VOTSOKGWSA-N 1 2 248.326 2.563 20 0 BFADLO O=C(OC1CCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000831063466 587584730 /nfs/dbraw/zinc/58/47/30/587584730.db2.gz NMYHIIFJDYQRGI-NSHDSACASA-N 1 2 249.314 2.626 20 0 BFADLO CCCCCC[N@@H+](CC(F)F)C[C@H](C)O ZINC000832196221 587649753 /nfs/dbraw/zinc/64/97/53/587649753.db2.gz PFQPGVIPTJMUJD-JTQLQIEISA-N 1 2 223.307 2.515 20 0 BFADLO CCCCCC[N@H+](CC(F)F)C[C@H](C)O ZINC000832196221 587649755 /nfs/dbraw/zinc/64/97/55/587649755.db2.gz PFQPGVIPTJMUJD-JTQLQIEISA-N 1 2 223.307 2.515 20 0 BFADLO COC[C@@H]1CCCC[N@@H+]1C/C(Cl)=C\Cl ZINC000832615818 587669604 /nfs/dbraw/zinc/66/96/04/587669604.db2.gz GDRYCWHJYKGGEO-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO COC[C@@H]1CCCC[N@H+]1C/C(Cl)=C\Cl ZINC000832615818 587669606 /nfs/dbraw/zinc/66/96/06/587669606.db2.gz GDRYCWHJYKGGEO-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277199 587704016 /nfs/dbraw/zinc/70/40/16/587704016.db2.gz BGPJLRQYRCKJCR-ZYHUDNBSSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000833277672 587704146 /nfs/dbraw/zinc/70/41/46/587704146.db2.gz FVCUYAZIZLFDOY-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)C[C@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833293419 587705122 /nfs/dbraw/zinc/70/51/22/587705122.db2.gz YHJHLQPKYOBKFZ-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833293420 587705332 /nfs/dbraw/zinc/70/53/32/587705332.db2.gz YHJHLQPKYOBKFZ-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@H](CC(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000833292861 587705548 /nfs/dbraw/zinc/70/55/48/587705548.db2.gz NYXLEMXWTACKHH-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO CCCn1cc(N[C@@H](C)c2[nH+]ccn2CC)cn1 ZINC000834730463 587765051 /nfs/dbraw/zinc/76/50/51/587765051.db2.gz XYUBDKZDKBCRAP-NSHDSACASA-N 1 2 247.346 2.683 20 0 BFADLO CC/C(C)=C\C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000835259720 587792933 /nfs/dbraw/zinc/79/29/33/587792933.db2.gz LJOIYYVVFBKPNE-POHAHGRESA-N 1 2 249.310 2.798 20 0 BFADLO CC/C(C)=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000837101539 587853768 /nfs/dbraw/zinc/85/37/68/587853768.db2.gz XYAGUXWIZHPSKD-POHAHGRESA-N 1 2 232.327 2.671 20 0 BFADLO CC(C)C[C@@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000837516567 587879585 /nfs/dbraw/zinc/87/95/85/587879585.db2.gz XUYPZINRYGBQDJ-LLVKDONJSA-N 1 2 246.310 2.926 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000837851022 587900160 /nfs/dbraw/zinc/90/01/60/587900160.db2.gz ZKJHKNPRGQSSDG-VXGBXAGGSA-N 1 2 248.326 2.533 20 0 BFADLO COc1cccc(C(N)=[NH+]OCC2=CCCC2)c1 ZINC000842647989 588048528 /nfs/dbraw/zinc/04/85/28/588048528.db2.gz KGTJPIWFNSFYHY-UHFFFAOYSA-N 1 2 246.310 2.652 20 0 BFADLO CCCC[C@@H](CC)Cc1nc(C[NH2+]CC)no1 ZINC000843144617 588085934 /nfs/dbraw/zinc/08/59/34/588085934.db2.gz DSOUWFNOMYWWLR-LLVKDONJSA-N 1 2 239.363 2.938 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2C[C@H]2CC(C)(C)C)n1 ZINC000843143547 588086272 /nfs/dbraw/zinc/08/62/72/588086272.db2.gz QYGNRUVPJNZLNO-VHSXEESVSA-N 1 2 237.347 2.719 20 0 BFADLO CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000844270727 588178300 /nfs/dbraw/zinc/17/83/00/588178300.db2.gz CUIQQSYIKJQFQW-LBPRGKRZSA-N 1 2 237.347 2.531 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(C)nc1 ZINC000844704612 588214264 /nfs/dbraw/zinc/21/42/64/588214264.db2.gz ADPQUHMGVRHVLP-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CCC[C@@H](C)c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000844844946 588218171 /nfs/dbraw/zinc/21/81/71/588218171.db2.gz IMWFXYZFVQQCDS-MNOVXSKESA-N 1 2 248.330 2.973 20 0 BFADLO C[C@H](CC(=O)OCCC(C)(C)C)n1cc[nH+]c1 ZINC000845282214 588225430 /nfs/dbraw/zinc/22/54/30/588225430.db2.gz USWFLUDCHBULBC-LLVKDONJSA-N 1 2 238.331 2.814 20 0 BFADLO CC/C=C/CCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283277 588225461 /nfs/dbraw/zinc/22/54/61/588225461.db2.gz BIYMPQOJTZBLPD-ZYOFXKKJSA-N 1 2 236.315 2.734 20 0 BFADLO C[C@H](CC(=O)O[C@H](C)C1CCC1)n1cc[nH+]c1 ZINC000845481161 588230089 /nfs/dbraw/zinc/23/00/89/588230089.db2.gz YYKJAQGMHOWPCQ-GHMZBOCLSA-N 1 2 236.315 2.566 20 0 BFADLO C[C@H](CC(=O)O[C@@H](C)C1CCC1)n1cc[nH+]c1 ZINC000845481162 588230277 /nfs/dbraw/zinc/23/02/77/588230277.db2.gz YYKJAQGMHOWPCQ-MNOVXSKESA-N 1 2 236.315 2.566 20 0 BFADLO C[C@@H](CC(=O)O[C@@H](C)c1ccco1)n1cc[nH+]c1 ZINC000845500355 588230850 /nfs/dbraw/zinc/23/08/50/588230850.db2.gz XTKVMQJQRCOZJQ-QWRGUYRKSA-N 1 2 248.282 2.732 20 0 BFADLO CCC[C@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845528780 588232370 /nfs/dbraw/zinc/23/23/70/588232370.db2.gz HADNMLDZZAUYGV-NWDGAFQWSA-N 1 2 238.331 2.814 20 0 BFADLO CC(C)c1nc(NCCC2(CO)CCC2)cc[nH+]1 ZINC000845737517 588243140 /nfs/dbraw/zinc/24/31/40/588243140.db2.gz IIWODXLKTXFZAB-UHFFFAOYSA-N 1 2 249.358 2.565 20 0 BFADLO CSc1ccc[nH+]c1NC[C@H]1CCCOC1 ZINC000846062024 588254898 /nfs/dbraw/zinc/25/48/98/588254898.db2.gz YTICQKCEEYGAHM-SNVBAGLBSA-N 1 2 238.356 2.642 20 0 BFADLO CCC(=CC(=O)NC(C)(C)c1[nH]cc[nH+]1)CC ZINC000846245611 588262485 /nfs/dbraw/zinc/26/24/85/588262485.db2.gz YSIRVGJDHZHRMU-UHFFFAOYSA-N 1 2 235.331 2.507 20 0 BFADLO C[C@H]1CC/C(=C\C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000846244597 588262524 /nfs/dbraw/zinc/26/25/24/588262524.db2.gz LCLHMDGHQVNKDV-SPQRFVMMSA-N 1 2 247.342 2.507 20 0 BFADLO C[C@@H]1CC/C(=C/C(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000846244593 588262528 /nfs/dbraw/zinc/26/25/28/588262528.db2.gz LCLHMDGHQVNKDV-QLWWJYNRSA-N 1 2 247.342 2.507 20 0 BFADLO CC(C)[N@H+](Cc1cnsn1)Cc1ccccc1 ZINC000846771980 588287363 /nfs/dbraw/zinc/28/73/63/588287363.db2.gz BIJMXPLGYNKJEB-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1cnsn1)Cc1ccccc1 ZINC000846771980 588287364 /nfs/dbraw/zinc/28/73/64/588287364.db2.gz BIJMXPLGYNKJEB-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)CC[N@H+](Cc1cnsn1)C1CC1 ZINC000846772814 588287432 /nfs/dbraw/zinc/28/74/32/588287432.db2.gz AMXMZADSAVIRSD-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC(C)CC[N@@H+](Cc1cnsn1)C1CC1 ZINC000846772814 588287433 /nfs/dbraw/zinc/28/74/33/588287433.db2.gz AMXMZADSAVIRSD-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@H](C[N@H+](C)Cc1cnsn1)c1ccccc1 ZINC000846795069 588288718 /nfs/dbraw/zinc/28/87/18/588288718.db2.gz HJRUESVVDSGDHO-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO C[C@H](C[N@@H+](C)Cc1cnsn1)c1ccccc1 ZINC000846795069 588288719 /nfs/dbraw/zinc/28/87/19/588288719.db2.gz HJRUESVVDSGDHO-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO c1nsnc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000846819071 588291257 /nfs/dbraw/zinc/29/12/57/588291257.db2.gz ZZZJZPRQUVRELN-UHFFFAOYSA-N 1 2 245.351 2.707 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccnc(Cl)c1 ZINC000107038579 588323621 /nfs/dbraw/zinc/32/36/21/588323621.db2.gz WDJGRCCRPZMEKB-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO CCC[C@H](C)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782188 588413760 /nfs/dbraw/zinc/41/37/60/588413760.db2.gz RTRZMBFUSRSXAE-NSHDSACASA-N 1 2 246.310 2.988 20 0 BFADLO FC1(F)CC12C[NH+](Cc1cccnc1Cl)C2 ZINC000848921795 588420544 /nfs/dbraw/zinc/42/05/44/588420544.db2.gz GPJRKKKOUBXFDY-UHFFFAOYSA-N 1 2 244.672 2.576 20 0 BFADLO COc1cc(C)c(C)cc1NCc1[nH]cc(C)[nH+]1 ZINC000850357170 588538629 /nfs/dbraw/zinc/53/86/29/588538629.db2.gz ZTGBOPBZTKQDEO-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1COC2(CCC2)C1 ZINC000850451535 588547613 /nfs/dbraw/zinc/54/76/13/588547613.db2.gz BZWCPLCZUXDHGM-NSHDSACASA-N 1 2 218.300 2.514 20 0 BFADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cnon1 ZINC000851733686 588619889 /nfs/dbraw/zinc/61/98/89/588619889.db2.gz DIKFZQCEXQWKGA-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cnon1 ZINC000851733686 588619890 /nfs/dbraw/zinc/61/98/90/588619890.db2.gz DIKFZQCEXQWKGA-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)CCS1 ZINC000851751647 588623462 /nfs/dbraw/zinc/62/34/62/588623462.db2.gz QXLRPFANWDRFTK-SSDOTTSWSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCS1 ZINC000851751647 588623463 /nfs/dbraw/zinc/62/34/63/588623463.db2.gz QXLRPFANWDRFTK-SSDOTTSWSA-N 1 2 226.172 2.743 20 0 BFADLO Clc1cccc(C2([NH2+]Cc3cnon3)CC2)c1 ZINC000851900996 588641726 /nfs/dbraw/zinc/64/17/26/588641726.db2.gz ARUNYMZIIGUQSP-UHFFFAOYSA-N 1 2 249.701 2.502 20 0 BFADLO Clc1ccc(C2([NH2+]Cc3cnon3)CC2)cc1 ZINC000851903366 588642229 /nfs/dbraw/zinc/64/22/29/588642229.db2.gz UBNDAWFNANCLTQ-UHFFFAOYSA-N 1 2 249.701 2.502 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@@H](C)[C@@H](C)O1 ZINC000851967726 588648903 /nfs/dbraw/zinc/64/89/03/588648903.db2.gz DXDQARNTIHYACQ-HRDYMLBCSA-N 1 2 238.158 2.803 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@@H](C)[C@@H](C)O1 ZINC000851967726 588648904 /nfs/dbraw/zinc/64/89/04/588648904.db2.gz DXDQARNTIHYACQ-HRDYMLBCSA-N 1 2 238.158 2.803 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cccc(F)n1 ZINC000852077355 588660104 /nfs/dbraw/zinc/66/01/04/588660104.db2.gz SINHUKGNYMPQAZ-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cccc(F)n1 ZINC000852077355 588660105 /nfs/dbraw/zinc/66/01/05/588660105.db2.gz SINHUKGNYMPQAZ-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO FC1(F)[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000852213902 588672946 /nfs/dbraw/zinc/67/29/46/588672946.db2.gz QKVOJPCIMCNPLM-OLQVQODUSA-N 1 2 228.069 2.502 20 0 BFADLO FC1(F)[C@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]21 ZINC000852213902 588672947 /nfs/dbraw/zinc/67/29/47/588672947.db2.gz QKVOJPCIMCNPLM-OLQVQODUSA-N 1 2 228.069 2.502 20 0 BFADLO C[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C[C@H](C)O1 ZINC000852587100 588692218 /nfs/dbraw/zinc/69/22/18/588692218.db2.gz RPZINIPMZQNVDA-IGAXCRGUSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C[C@H](C)O1 ZINC000852587100 588692219 /nfs/dbraw/zinc/69/22/19/588692219.db2.gz RPZINIPMZQNVDA-IGAXCRGUSA-N 1 2 238.158 2.805 20 0 BFADLO C[N@H+](C[C@@H]1CC1(C)C)CC(F)(F)C(F)F ZINC000852773324 588701467 /nfs/dbraw/zinc/70/14/67/588701467.db2.gz XWPGJFLMOBESFP-ZETCQYMHSA-N 1 2 227.245 2.865 20 0 BFADLO C[N@@H+](C[C@@H]1CC1(C)C)CC(F)(F)C(F)F ZINC000852773324 588701468 /nfs/dbraw/zinc/70/14/68/588701468.db2.gz XWPGJFLMOBESFP-ZETCQYMHSA-N 1 2 227.245 2.865 20 0 BFADLO CC12CC(C1)C[N@@H+]2Cc1cnc(Cl)c(F)c1 ZINC000852785700 588702483 /nfs/dbraw/zinc/70/24/83/588702483.db2.gz FSOXQMMTJXFUSF-UHFFFAOYSA-N 1 2 240.709 2.858 20 0 BFADLO CC12CC(C1)C[N@H+]2Cc1cnc(Cl)c(F)c1 ZINC000852785700 588702484 /nfs/dbraw/zinc/70/24/84/588702484.db2.gz FSOXQMMTJXFUSF-UHFFFAOYSA-N 1 2 240.709 2.858 20 0 BFADLO Cc1ncc(CNc2ccc([NH+](C)C)c(C)c2)o1 ZINC000862260116 589197704 /nfs/dbraw/zinc/19/77/04/589197704.db2.gz RONIRXUUDHXSKP-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)ccnc1F ZINC000862301997 589200803 /nfs/dbraw/zinc/20/08/03/589200803.db2.gz VPFOSVJVXCTGSO-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)ccnc1F ZINC000862301997 589200804 /nfs/dbraw/zinc/20/08/04/589200804.db2.gz VPFOSVJVXCTGSO-CABZTGNLSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c(F)nccc1C[NH2+]C(C)(C)C(F)F ZINC000862351770 589202497 /nfs/dbraw/zinc/20/24/97/589202497.db2.gz UGJJJWZEHZBAHI-UHFFFAOYSA-N 1 2 232.249 2.662 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862382472 589206994 /nfs/dbraw/zinc/20/69/94/589206994.db2.gz UAVCOVCMLSZAKP-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862382472 589206995 /nfs/dbraw/zinc/20/69/95/589206995.db2.gz UAVCOVCMLSZAKP-ZDUSSCGKSA-N 1 2 238.306 2.876 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000862402668 589209457 /nfs/dbraw/zinc/20/94/57/589209457.db2.gz QPEAWIYACYZDIK-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000862402668 589209458 /nfs/dbraw/zinc/20/94/58/589209458.db2.gz QPEAWIYACYZDIK-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccns1 ZINC000862539235 589218212 /nfs/dbraw/zinc/21/82/12/589218212.db2.gz JMSHMNOBZOZEOD-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO CC[C@@H]1CC[N@H+](Cn2nc(C)sc2=S)C1 ZINC000119458072 589288234 /nfs/dbraw/zinc/28/82/34/589288234.db2.gz JNIMIDVVUWKDDS-SECBINFHSA-N 1 2 243.401 2.672 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cn2nc(C)sc2=S)C1 ZINC000119458072 589288235 /nfs/dbraw/zinc/28/82/35/589288235.db2.gz JNIMIDVVUWKDDS-SECBINFHSA-N 1 2 243.401 2.672 20 0 BFADLO CCC[C@@H](C)CCCO[NH+]=C(N)[C@H](C)OC ZINC000863459702 589289960 /nfs/dbraw/zinc/28/99/60/589289960.db2.gz QZWMQGHYLLZSOY-MNOVXSKESA-N 1 2 230.352 2.736 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)C1(OC)CCCC1 ZINC000863478961 589291985 /nfs/dbraw/zinc/29/19/85/589291985.db2.gz YUIIVJHVORLSOH-PLNGDYQASA-N 1 2 240.347 2.800 20 0 BFADLO COC1(C(N)=[NH+]OCC2CCCC2)CCCC1 ZINC000863478194 589292014 /nfs/dbraw/zinc/29/20/14/589292014.db2.gz JYXFEGORWCBEAJ-UHFFFAOYSA-N 1 2 240.347 2.634 20 0 BFADLO CCNc1ccc(-c2cnc(Cl)n2C)c[nH+]1 ZINC000863978851 589332087 /nfs/dbraw/zinc/33/20/87/589332087.db2.gz HXAJDGHHYCMBLZ-UHFFFAOYSA-N 1 2 236.706 2.567 20 0 BFADLO OCc1cc[nH+]c(NCC2CCC3(CC3)CC2)c1 ZINC000864092010 589343784 /nfs/dbraw/zinc/34/37/84/589343784.db2.gz VHSUORRHTFDINE-UHFFFAOYSA-N 1 2 246.354 2.956 20 0 BFADLO Cc1ncc(CNc2c[nH+]cc(N(C)C)c2)s1 ZINC000865294699 589420463 /nfs/dbraw/zinc/42/04/63/589420463.db2.gz PXMAZBTZDRWNMV-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO c1c[nH+]c(COCC2CC3(CCC3)C2)[nH]1 ZINC000865361989 589426239 /nfs/dbraw/zinc/42/62/39/589426239.db2.gz HYUGMJRKTJPFNU-UHFFFAOYSA-N 1 2 206.289 2.507 20 0 BFADLO CC(C)(C)c1cn(Cc2ccc(CO)cc2)c[nH+]1 ZINC000865376359 589427991 /nfs/dbraw/zinc/42/79/91/589427991.db2.gz KQWWLOMXAVVDOZ-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO C[C@@H]1CC[C@H](Cn2c[nH+]c(C(C)(C)C)c2)O1 ZINC000865376279 589428015 /nfs/dbraw/zinc/42/80/15/589428015.db2.gz HHHWMDJVKOFDFX-GHMZBOCLSA-N 1 2 222.332 2.748 20 0 BFADLO CC(C)(C)c1cn(CCOC2CCC2)c[nH+]1 ZINC000865376696 589429023 /nfs/dbraw/zinc/42/90/23/589429023.db2.gz ZHVWDUHEDKNCGK-UHFFFAOYSA-N 1 2 222.332 2.750 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(Cl)c1C ZINC000865412958 589433993 /nfs/dbraw/zinc/43/39/93/589433993.db2.gz VDGOSFUBWGQGSW-UHFFFAOYSA-N 1 2 249.745 2.970 20 0 BFADLO CCCNc1cc(NCc2ccoc2C)nc[nH+]1 ZINC000865461114 589437793 /nfs/dbraw/zinc/43/77/93/589437793.db2.gz WQJSTKCOAFPISK-UHFFFAOYSA-N 1 2 246.314 2.812 20 0 BFADLO CCCNc1cc(NCc2ccoc2C)[nH+]cn1 ZINC000865461114 589437794 /nfs/dbraw/zinc/43/77/94/589437794.db2.gz WQJSTKCOAFPISK-UHFFFAOYSA-N 1 2 246.314 2.812 20 0 BFADLO CC(C)Cc1cc(NC[C@H]2CCCCO2)nc[nH+]1 ZINC000865468200 589438625 /nfs/dbraw/zinc/43/86/25/589438625.db2.gz WAUNIIKZPKSJQE-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1cc(C[NH2+]Cc2c(C)cccc2F)on1 ZINC000865476535 589439126 /nfs/dbraw/zinc/43/91/26/589439126.db2.gz GUNJYOZVWWYIJL-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@@H](C)CCO ZINC000865547820 589445078 /nfs/dbraw/zinc/44/50/78/589445078.db2.gz LQSVKUKMZAYFDZ-QMMMGPOBSA-N 1 2 248.248 2.592 20 0 BFADLO Cc1scc(C[NH2+]C(CF)CF)c1C ZINC000865582850 589448776 /nfs/dbraw/zinc/44/87/76/589448776.db2.gz JHQUONCZENPOHO-UHFFFAOYSA-N 1 2 219.300 2.762 20 0 BFADLO CC(C)Cc1cc(NCCn2cccc2)nc[nH+]1 ZINC000865588910 589449384 /nfs/dbraw/zinc/44/93/84/589449384.db2.gz BCYOIKZUSXTPKK-UHFFFAOYSA-N 1 2 244.342 2.589 20 0 BFADLO CC[C@H](C)N(C)c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865607234 589450590 /nfs/dbraw/zinc/45/05/90/589450590.db2.gz FNXAGAAXLUNCKB-ZETCQYMHSA-N 1 2 238.722 2.798 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H](C)c2ccc[nH]2)[nH+]c1 ZINC000865648076 589454039 /nfs/dbraw/zinc/45/40/39/589454039.db2.gz SFQYWVJCXQEXOA-VHSXEESVSA-N 1 2 231.299 2.636 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2cnccn2)o1 ZINC000865815279 589463013 /nfs/dbraw/zinc/46/30/13/589463013.db2.gz UDBZCZMJVHGFJH-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO C=C=CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000865823817 589463601 /nfs/dbraw/zinc/46/36/01/589463601.db2.gz HDTYHDPPRIWUNA-UHFFFAOYSA-N 1 2 203.289 2.527 20 0 BFADLO CC(F)(F)CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865834813 589463762 /nfs/dbraw/zinc/46/37/62/589463762.db2.gz VQSMPBZKOYBEPB-UHFFFAOYSA-N 1 2 246.648 2.678 20 0 BFADLO COc1ccc(C2CC2)c(NCc2[nH]cc[nH+]2)c1 ZINC000865857347 589465160 /nfs/dbraw/zinc/46/51/60/589465160.db2.gz YCMGYQZAJWALOX-UHFFFAOYSA-N 1 2 243.310 2.908 20 0 BFADLO CN(C)c1ccc([NH2+]CC2CC2)cc1F ZINC000865865344 589465992 /nfs/dbraw/zinc/46/59/92/589465992.db2.gz QAUPIRRIORUVPR-UHFFFAOYSA-N 1 2 208.280 2.714 20 0 BFADLO CC(C)Cc1cc(NC[C@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000865867986 589466065 /nfs/dbraw/zinc/46/60/65/589466065.db2.gz KSKQMMUBVBHOEN-WCQYABFASA-N 1 2 249.358 2.655 20 0 BFADLO Cc1nc(N2CCC=C(Cl)C2)c(C)c(C)[nH+]1 ZINC000865905207 589467879 /nfs/dbraw/zinc/46/78/79/589467879.db2.gz AXDRJTZTPTVTAQ-UHFFFAOYSA-N 1 2 237.734 2.735 20 0 BFADLO ClC1=CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000865906074 589468027 /nfs/dbraw/zinc/46/80/27/589468027.db2.gz HERCWGAPEXKBPZ-UHFFFAOYSA-N 1 2 235.718 2.687 20 0 BFADLO F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000866451666 589494246 /nfs/dbraw/zinc/49/42/46/589494246.db2.gz OFPXTCGEOUQWLB-MDZLAQPJSA-N 1 2 237.322 2.657 20 0 BFADLO CC/C=C(\F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000868790968 589576968 /nfs/dbraw/zinc/57/69/68/589576968.db2.gz FWCIDBQPBZWBGG-XGICHPGQSA-N 1 2 236.290 2.578 20 0 BFADLO O=C(OCCCC1CC1)c1ccc2[nH+]ccn2c1 ZINC000869391254 589602843 /nfs/dbraw/zinc/60/28/43/589602843.db2.gz IUQZOIUXALBEBU-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)CCC2CC2)c1 ZINC000122909113 589643522 /nfs/dbraw/zinc/64/35/22/589643522.db2.gz OKJKCTUHPUPPAQ-UHFFFAOYSA-N 1 2 249.310 2.632 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)C=C2CCC2)c1 ZINC000123019183 589652072 /nfs/dbraw/zinc/65/20/72/589652072.db2.gz BIQRFTWHCJXLAT-UHFFFAOYSA-N 1 2 247.294 2.552 20 0 BFADLO COc1cc[nH+]cc1NCc1cc(C)oc1C ZINC000123255969 589682969 /nfs/dbraw/zinc/68/29/69/589682969.db2.gz DGKQFRBLRYXJFI-UHFFFAOYSA-N 1 2 232.283 2.912 20 0 BFADLO CC[C@H](Sc1[nH+]cc2ccccn21)C(C)=O ZINC000871639590 589780606 /nfs/dbraw/zinc/78/06/06/589780606.db2.gz TWCOIANEDLEEFR-NSHDSACASA-N 1 2 234.324 2.794 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CCCOC1 ZINC000872082316 589866527 /nfs/dbraw/zinc/86/65/27/589866527.db2.gz UMWCFRDUAKXKLB-IVZWLZJFSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H]([NH2+]Cc1nonc1C)c1ccsc1 ZINC000872137575 589879632 /nfs/dbraw/zinc/87/96/32/589879632.db2.gz UKQDWPKOMRMJNC-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO COCC(C)(C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000872685810 589961145 /nfs/dbraw/zinc/96/11/45/589961145.db2.gz GXEDGLPHPDNUBF-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO Cc1cc(NCc2ccon2)ccc1[NH+](C)C ZINC000873085554 589984443 /nfs/dbraw/zinc/98/44/43/589984443.db2.gz UXGDBCIZHQGBQB-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CCOc1cccc(F)c1C[NH2+][C@@H](C)CF ZINC000873128499 589985384 /nfs/dbraw/zinc/98/53/84/589985384.db2.gz RZJKGXPRVSEMCJ-VIFPVBQESA-N 1 2 229.270 2.672 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2ncccc12 ZINC000873130127 589985462 /nfs/dbraw/zinc/98/54/62/589985462.db2.gz ZPZNFHVUVSPQHP-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1cc(Cl)ccc1OC(=O)[C@@H](C)[NH+](C)C ZINC000873848679 590074690 /nfs/dbraw/zinc/07/46/90/590074690.db2.gz NUBXIGLVDOZGJC-SECBINFHSA-N 1 2 241.718 2.504 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143826 590078441 /nfs/dbraw/zinc/07/84/41/590078441.db2.gz CNYKDMMWBAVWNC-ZDUSSCGKSA-N 1 2 248.370 2.980 20 0 BFADLO COc1c(Cl)cccc1NCc1[nH]cc[nH+]1 ZINC000124897942 590098413 /nfs/dbraw/zinc/09/84/13/590098413.db2.gz YBQVYYIYCPIFPO-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO CCc1csc(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000125250788 590159442 /nfs/dbraw/zinc/15/94/42/590159442.db2.gz UZNZPZWAOHZSGQ-SSDOTTSWSA-N 1 2 222.317 2.602 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000875692216 590168435 /nfs/dbraw/zinc/16/84/35/590168435.db2.gz MIUQPUWLRBNTIF-OJAKKHQRSA-N 1 2 244.338 2.929 20 0 BFADLO CCOCC[N@H+](CC)Cc1nc(Cl)cs1 ZINC000876646497 590225861 /nfs/dbraw/zinc/22/58/61/590225861.db2.gz WJLASEKULIEPCS-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCOCC[N@@H+](CC)Cc1nc(Cl)cs1 ZINC000876646497 590225862 /nfs/dbraw/zinc/22/58/62/590225862.db2.gz WJLASEKULIEPCS-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CO[C@H](CNc1ccc([NH+](C)C)c(C)c1)C1CC1 ZINC000876845349 590248701 /nfs/dbraw/zinc/24/87/01/590248701.db2.gz RHTXRIHYLFDPSL-OAHLLOKOSA-N 1 2 248.370 2.898 20 0 BFADLO CC(C)C1C[NH+](Cc2nc(Cl)cs2)C1 ZINC000877487271 590339177 /nfs/dbraw/zinc/33/91/77/590339177.db2.gz RVSVZZGTARRZLI-UHFFFAOYSA-N 1 2 230.764 2.884 20 0 BFADLO FC(F)C1([NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877500507 590341555 /nfs/dbraw/zinc/34/15/55/590341555.db2.gz AESGCUYKNOLYEK-YFKPBYRVSA-N 1 2 230.085 2.568 20 0 BFADLO CC(C)(F)C[NH2+]Cc1c(F)ccc(O)c1F ZINC000877663537 590388411 /nfs/dbraw/zinc/38/84/11/590388411.db2.gz TVEGGBAIIOYTMU-UHFFFAOYSA-N 1 2 233.233 2.508 20 0 BFADLO CC(C)(C)c1nc(COc2cc[nH+]cc2)co1 ZINC000877881723 590437699 /nfs/dbraw/zinc/43/76/99/590437699.db2.gz NSGWDKHPMSPEOJ-UHFFFAOYSA-N 1 2 232.283 2.946 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901818 590443617 /nfs/dbraw/zinc/44/36/17/590443617.db2.gz WJRKOLVSHGIMPZ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901818 590443619 /nfs/dbraw/zinc/44/36/19/590443619.db2.gz WJRKOLVSHGIMPZ-VIFPVBQESA-N 1 2 248.248 2.757 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000877932813 590450886 /nfs/dbraw/zinc/45/08/86/590450886.db2.gz JYYOWSSHIOPRFD-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1cccc(F)c1 ZINC000877932813 590450888 /nfs/dbraw/zinc/45/08/88/590450888.db2.gz JYYOWSSHIOPRFD-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1nocc1C ZINC000877933482 590451364 /nfs/dbraw/zinc/45/13/64/590451364.db2.gz VAPJOAOXTUFDHS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1nocc1C ZINC000877933482 590451366 /nfs/dbraw/zinc/45/13/66/590451366.db2.gz VAPJOAOXTUFDHS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000878029716 590474648 /nfs/dbraw/zinc/47/46/48/590474648.db2.gz XPGQGAICYKHESU-UHFFFAOYSA-N 1 2 243.301 2.634 20 0 BFADLO CCOCC[N@H+](CC)Cc1scnc1Cl ZINC000878085586 590489630 /nfs/dbraw/zinc/48/96/30/590489630.db2.gz OXCONKJYVYCMJG-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCOCC[N@@H+](CC)Cc1scnc1Cl ZINC000878085586 590489632 /nfs/dbraw/zinc/48/96/32/590489632.db2.gz OXCONKJYVYCMJG-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO C=C/C=C\CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000878113795 590497845 /nfs/dbraw/zinc/49/78/45/590497845.db2.gz NOAARWMFJYACBF-SCOBNMCVSA-N 1 2 233.311 2.785 20 0 BFADLO C=C/C=C\CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000878113795 590497849 /nfs/dbraw/zinc/49/78/49/590497849.db2.gz NOAARWMFJYACBF-SCOBNMCVSA-N 1 2 233.311 2.785 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC2(CCC2)CO1 ZINC000878199727 590523486 /nfs/dbraw/zinc/52/34/86/590523486.db2.gz GAHQJZQVWDDKSK-LLVKDONJSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC2(CCC2)CO1 ZINC000878199727 590523487 /nfs/dbraw/zinc/52/34/87/590523487.db2.gz GAHQJZQVWDDKSK-LLVKDONJSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000878309146 590540032 /nfs/dbraw/zinc/54/00/32/590540032.db2.gz MPGJZIRUNBEYTB-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000878309146 590540033 /nfs/dbraw/zinc/54/00/33/590540033.db2.gz MPGJZIRUNBEYTB-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000878310718 590541029 /nfs/dbraw/zinc/54/10/29/590541029.db2.gz PQIXRMISZHDTNM-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000878310718 590541030 /nfs/dbraw/zinc/54/10/30/590541030.db2.gz PQIXRMISZHDTNM-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000878366893 590554967 /nfs/dbraw/zinc/55/49/67/590554967.db2.gz ZZNYKOKRRMZXIE-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](CCO)c1cccs1 ZINC000878412816 590562734 /nfs/dbraw/zinc/56/27/34/590562734.db2.gz ZSMRLNWIQWMKQH-SECBINFHSA-N 1 2 249.326 2.807 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000878535457 590588322 /nfs/dbraw/zinc/58/83/22/590588322.db2.gz ZSIMDMZGBBFUJL-RKDXNWHRSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000878535457 590588323 /nfs/dbraw/zinc/58/83/23/590588323.db2.gz ZSIMDMZGBBFUJL-RKDXNWHRSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000878535454 590588526 /nfs/dbraw/zinc/58/85/26/590588526.db2.gz ZSIMDMZGBBFUJL-DTWKUNHWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000878535454 590588528 /nfs/dbraw/zinc/58/85/28/590588528.db2.gz ZSIMDMZGBBFUJL-DTWKUNHWSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000878535456 590588761 /nfs/dbraw/zinc/58/87/61/590588761.db2.gz ZSIMDMZGBBFUJL-IUCAKERBSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000878535456 590588765 /nfs/dbraw/zinc/58/87/65/590588765.db2.gz ZSIMDMZGBBFUJL-IUCAKERBSA-N 1 2 248.248 2.756 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2Cc3cccnc3C2)OC1 ZINC000878548833 590590425 /nfs/dbraw/zinc/59/04/25/590590425.db2.gz VZORNCABLLERTA-CYBMUJFWSA-N 1 2 246.354 2.602 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2Cc3cccnc3C2)OC1 ZINC000878548833 590590427 /nfs/dbraw/zinc/59/04/27/590590427.db2.gz VZORNCABLLERTA-CYBMUJFWSA-N 1 2 246.354 2.602 20 0 BFADLO CC[C@H]1CCC[C@]1(C)C(=O)Nc1cc[nH+]cc1C ZINC000878769884 590620254 /nfs/dbraw/zinc/62/02/54/590620254.db2.gz SOIWSFSHSACAQL-WFASDCNBSA-N 1 2 246.354 2.967 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1CCC=C(Cl)C1 ZINC000878793551 590623997 /nfs/dbraw/zinc/62/39/97/590623997.db2.gz GZFDMFDNIHGDHN-JTQLQIEISA-N 1 2 222.719 2.971 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1CCC=C(Cl)C1 ZINC000878793551 590623998 /nfs/dbraw/zinc/62/39/98/590623998.db2.gz GZFDMFDNIHGDHN-JTQLQIEISA-N 1 2 222.719 2.971 20 0 BFADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876796 590638544 /nfs/dbraw/zinc/63/85/44/590638544.db2.gz UNXAAKOACZMARI-ZUYFITGHSA-N 1 2 246.141 2.866 20 0 BFADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876796 590638548 /nfs/dbraw/zinc/63/85/48/590638548.db2.gz UNXAAKOACZMARI-ZUYFITGHSA-N 1 2 246.141 2.866 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000878914861 590650125 /nfs/dbraw/zinc/65/01/25/590650125.db2.gz MJCREPXNTGNLHK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1conc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC000878914861 590650127 /nfs/dbraw/zinc/65/01/27/590650127.db2.gz MJCREPXNTGNLHK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCCSCc1cc[nH+]c(N(C)C)c1 ZINC000127407183 590653598 /nfs/dbraw/zinc/65/35/98/590653598.db2.gz PYADGUXMNLMANE-UHFFFAOYSA-N 1 2 210.346 2.791 20 0 BFADLO Cn1c(Cl)nc(Cl)c1C[N@H+](C)C1CCC1 ZINC000127458848 590676041 /nfs/dbraw/zinc/67/60/41/590676041.db2.gz GEJLDLHEBYZOBC-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO Cn1c(Cl)nc(Cl)c1C[N@@H+](C)C1CCC1 ZINC000127458848 590676047 /nfs/dbraw/zinc/67/60/47/590676047.db2.gz GEJLDLHEBYZOBC-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1ccc(F)c(C)c1 ZINC000880177787 590950074 /nfs/dbraw/zinc/95/00/74/590950074.db2.gz XPMWSVPVNWSFJT-UHFFFAOYSA-N 1 2 247.317 2.894 20 0 BFADLO CC(C)c1nnc(C[NH+]2CCC(F)CC2)s1 ZINC000880239273 590972974 /nfs/dbraw/zinc/97/29/74/590972974.db2.gz XWDPEJKEXNJAKN-UHFFFAOYSA-N 1 2 243.351 2.595 20 0 BFADLO CC(C)c1cnc(C[NH+]2CCC(F)CC2)o1 ZINC000880242122 590975332 /nfs/dbraw/zinc/97/53/32/590975332.db2.gz PZVIBFWPMOEGPS-UHFFFAOYSA-N 1 2 226.295 2.732 20 0 BFADLO Cc1[nH+]cnc(NC(C2CC2)C2CC2)c1C ZINC000881786485 591270990 /nfs/dbraw/zinc/27/09/90/591270990.db2.gz WPCZXQMAWLIBLH-UHFFFAOYSA-N 1 2 217.316 2.694 20 0 BFADLO CC[C@H]1CCCN(c2nc[nH+]c(C)c2C)C1 ZINC000881802118 591271857 /nfs/dbraw/zinc/27/18/57/591271857.db2.gz VMYDTTHRFVFAAY-LBPRGKRZSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(NCCOCCC(C)C)c1C ZINC000881856743 591274884 /nfs/dbraw/zinc/27/48/84/591274884.db2.gz UFUCXDILKDWCLD-UHFFFAOYSA-N 1 2 237.347 2.568 20 0 BFADLO Cc1[nH+]cnc(NC[C@]2(C)CCCS2)c1C ZINC000882086118 591295382 /nfs/dbraw/zinc/29/53/82/591295382.db2.gz SXVUODJFQXFPEA-LBPRGKRZSA-N 1 2 237.372 2.791 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@H]2CCO[C@H](C)C2)c1C ZINC000882177297 591311361 /nfs/dbraw/zinc/31/13/61/591311361.db2.gz OHLSOIAGBGZXCZ-ZWNOBZJWSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NC[C@H](C)c2nccs2)c1C ZINC000882184505 591312511 /nfs/dbraw/zinc/31/25/11/591312511.db2.gz MHGRIZIJHFWMLV-QMMMGPOBSA-N 1 2 248.355 2.766 20 0 BFADLO COCCC(C)(C)CNc1nc[nH+]c(C)c1C ZINC000882188068 591313768 /nfs/dbraw/zinc/31/37/68/591313768.db2.gz KETVLFWMYDURIK-UHFFFAOYSA-N 1 2 237.347 2.568 20 0 BFADLO CC(C)(C)c1cn(Cc2ccns2)c[nH+]1 ZINC000882280788 591326176 /nfs/dbraw/zinc/32/61/76/591326176.db2.gz KFQFFHYOLHENSH-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H](c2ccccn2)C1 ZINC000882309181 591327659 /nfs/dbraw/zinc/32/76/59/591327659.db2.gz SINSQDCXHVLIKG-NSHDSACASA-N 1 2 243.285 2.610 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCCC2(F)F)c1C ZINC000882418229 591345344 /nfs/dbraw/zinc/34/53/44/591345344.db2.gz CVZUEHCTRGJPCZ-SNVBAGLBSA-N 1 2 241.285 2.941 20 0 BFADLO Cc1[nH+]cnc(NC2CC3(CCC3)C2)c1C ZINC000882531116 591383187 /nfs/dbraw/zinc/38/31/87/591383187.db2.gz YBEQNZXVLORMEQ-UHFFFAOYSA-N 1 2 217.316 2.838 20 0 BFADLO Cc1[nH+]cnc(N2CCC(CCF)CC2)c1C ZINC000882679837 591410517 /nfs/dbraw/zinc/41/05/17/591410517.db2.gz CEZNFGQKDCRKRD-UHFFFAOYSA-N 1 2 237.322 2.669 20 0 BFADLO Nc1nc(NC[C@H]2C=CCC2)[nH+]c2ccccc12 ZINC000882757319 591430022 /nfs/dbraw/zinc/43/00/22/591430022.db2.gz DNZLAMAAPJQVOM-JTQLQIEISA-N 1 2 240.310 2.590 20 0 BFADLO C1=C[C@H](CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000882757444 591430331 /nfs/dbraw/zinc/43/03/31/591430331.db2.gz GROHBSMZNFSJJI-JTQLQIEISA-N 1 2 215.300 2.732 20 0 BFADLO C=C/C=C/CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000882796196 591441881 /nfs/dbraw/zinc/44/18/81/591441881.db2.gz KEPXGCCUXBWDOK-ONEGZZNKSA-N 1 2 244.342 2.621 20 0 BFADLO C=C/C=C/CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000882796196 591441885 /nfs/dbraw/zinc/44/18/85/591441885.db2.gz KEPXGCCUXBWDOK-ONEGZZNKSA-N 1 2 244.342 2.621 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@@H]1CCCC1(F)F ZINC000882799127 591442539 /nfs/dbraw/zinc/44/25/39/591442539.db2.gz QBLYRFKRVBBWAZ-VIFPVBQESA-N 1 2 244.260 2.880 20 0 BFADLO C[C@@H](O)c1ccc(N2C[C@H](C)C[C@H](C)C2)[nH+]c1 ZINC000213231395 591455833 /nfs/dbraw/zinc/45/58/33/591455833.db2.gz CYNWHPGPUMLPJW-GRYCIOLGSA-N 1 2 234.343 2.617 20 0 BFADLO CCC1CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000213241413 591457434 /nfs/dbraw/zinc/45/74/34/591457434.db2.gz OPSBXKKEAPQCTE-LLVKDONJSA-N 1 2 234.343 2.761 20 0 BFADLO C[C@@H](O)c1ccc(N2Cc3ccccc3C2)[nH+]c1 ZINC000213274670 591458877 /nfs/dbraw/zinc/45/88/77/591458877.db2.gz FJHUZHNLCUWKLQ-LLVKDONJSA-N 1 2 240.306 2.655 20 0 BFADLO C[C@H](O)c1ccc(N2Cc3ccccc3C2)[nH+]c1 ZINC000213275987 591458951 /nfs/dbraw/zinc/45/89/51/591458951.db2.gz FJHUZHNLCUWKLQ-NSHDSACASA-N 1 2 240.306 2.655 20 0 BFADLO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000882879295 591459974 /nfs/dbraw/zinc/45/99/74/591459974.db2.gz PXMGTNMFBXFRDT-NSHDSACASA-N 1 2 244.342 2.779 20 0 BFADLO COC[C@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000882906178 591472207 /nfs/dbraw/zinc/47/22/07/591472207.db2.gz PODNIXOETNSNJM-PHIMTYICSA-N 1 2 249.358 2.611 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCC3(CCC3)O2)c1C ZINC000882972107 591488836 /nfs/dbraw/zinc/48/88/36/591488836.db2.gz CVCSYYAJGXSOOI-LBPRGKRZSA-N 1 2 247.342 2.607 20 0 BFADLO C=C/C=C\CCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000882973575 591489096 /nfs/dbraw/zinc/48/90/96/591489096.db2.gz CMMLDEOWKPKQMF-DGMVEKRQSA-N 1 2 240.347 2.678 20 0 BFADLO CC(C)c1c[nH]c(CNc2cccc(CO)c2)[nH+]1 ZINC000883034650 591521470 /nfs/dbraw/zinc/52/14/70/591521470.db2.gz ARVNKSNUHVEQII-UHFFFAOYSA-N 1 2 245.326 2.638 20 0 BFADLO COc1ccc[nH+]c1NCc1nc(C(C)C)c[nH]1 ZINC000883078140 591535359 /nfs/dbraw/zinc/53/53/59/591535359.db2.gz IMVPXGSRHMAQTP-UHFFFAOYSA-N 1 2 246.314 2.549 20 0 BFADLO COc1cc(C)[nH+]c(COc2ccc(F)nc2)c1 ZINC000214298686 591545769 /nfs/dbraw/zinc/54/57/69/591545769.db2.gz KWQAOERWDFSTKI-UHFFFAOYSA-N 1 2 248.257 2.512 20 0 BFADLO Cc1cc(NCc2ccn(C)c2)c[nH+]c1C ZINC000883341812 591618151 /nfs/dbraw/zinc/61/81/51/591618151.db2.gz ZYXNRBQBRQWCEL-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1cc(N[C@@H](C)C2CCOCC2)c[nH+]c1C ZINC000883342214 591618933 /nfs/dbraw/zinc/61/89/33/591618933.db2.gz OQGUNNMPAKYIHK-LBPRGKRZSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(NCC2(C)CCOCC2)c[nH+]c1C ZINC000883341766 591620291 /nfs/dbraw/zinc/62/02/91/591620291.db2.gz ZDBRKZKHEWQSAX-UHFFFAOYSA-N 1 2 234.343 2.927 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)c[nH+]c1C ZINC000883341299 591620410 /nfs/dbraw/zinc/62/04/10/591620410.db2.gz MRNWPFXUSWJVTR-XHVZSJERSA-N 1 2 220.316 2.676 20 0 BFADLO Cc1cc(N[C@H](C)COC(C)C)c[nH+]c1C ZINC000883340891 591620611 /nfs/dbraw/zinc/62/06/11/591620611.db2.gz BVSXJEGMODMRTL-LLVKDONJSA-N 1 2 222.332 2.924 20 0 BFADLO Cc1cc(N[C@@H](C)C[C@@H]2CCOC2)c[nH+]c1C ZINC000883341880 591620938 /nfs/dbraw/zinc/62/09/38/591620938.db2.gz CQMOGROZUQBRHU-AAEUAGOBSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@@H](C)[C@H]2CCCO2)c[nH+]c1C ZINC000883342548 591621658 /nfs/dbraw/zinc/62/16/58/591621658.db2.gz CHSXZGZVHDTDRX-WCQYABFASA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@H]2CCCn3nccc32)c[nH+]c1C ZINC000883342944 591623013 /nfs/dbraw/zinc/62/30/13/591623013.db2.gz RXIZHLYUQRPQLY-ZDUSSCGKSA-N 1 2 242.326 2.842 20 0 BFADLO CC[N@H+](C)[C@H](C(=O)OCC1CC1)c1ccccc1 ZINC000131615991 591628708 /nfs/dbraw/zinc/62/87/08/591628708.db2.gz DXQQLFSOXCBQCP-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO CC[N@@H+](C)[C@H](C(=O)OCC1CC1)c1ccccc1 ZINC000131615991 591628711 /nfs/dbraw/zinc/62/87/11/591628711.db2.gz DXQQLFSOXCBQCP-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO CCSCc1ccc[nH+]c1NCc1cc[nH]n1 ZINC000883378374 591636951 /nfs/dbraw/zinc/63/69/51/591636951.db2.gz JPWIPABDGOMLEH-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(OC)c(CO)c1 ZINC000133597633 591831548 /nfs/dbraw/zinc/83/15/48/591831548.db2.gz YEQIKUNOMLVIPF-SNVBAGLBSA-N 1 2 223.316 2.646 20 0 BFADLO CCCOc1ccc([NH2+]CC[C@@H](C)O)cc1 ZINC000133608095 591842920 /nfs/dbraw/zinc/84/29/20/591842920.db2.gz ILFRJAYRFNLGKK-LLVKDONJSA-N 1 2 223.316 2.658 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccsc2)s1 ZINC000135000064 591968811 /nfs/dbraw/zinc/96/88/11/591968811.db2.gz CEKWARLFADMSRO-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cnc(NCc2cc(C)[nH+]c(C)c2)o1 ZINC000884533721 591969490 /nfs/dbraw/zinc/96/94/90/591969490.db2.gz POPZENUMPWGMLJ-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CCc1nc(N[C@H](CC)[C@@H]2CCCCO2)cc[nH+]1 ZINC000884548311 591976305 /nfs/dbraw/zinc/97/63/05/591976305.db2.gz HTWSBCKKDIRUNQ-NEPJUHHUSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(N[C@H](CC)COCC2CC2)cc[nH+]1 ZINC000884552906 591977169 /nfs/dbraw/zinc/97/71/69/591977169.db2.gz LRJWUTQSDPUMIE-GFCCVEGCSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(NCC[C@]2(C)CC2(F)F)cc[nH+]1 ZINC000884557131 591978331 /nfs/dbraw/zinc/97/83/31/591978331.db2.gz HWZMEQJGGHYRRZ-LLVKDONJSA-N 1 2 241.285 2.886 20 0 BFADLO C=C/C=C/CCNc1cc[nH+]c(CC)n1 ZINC000884580741 591986081 /nfs/dbraw/zinc/98/60/81/591986081.db2.gz KUSVKCPMAFOAMN-AATRIKPKSA-N 1 2 203.289 2.583 20 0 BFADLO COc1cccc2c1cc[nH+]c2N1C[C@@H]2C[C@@H]2C1 ZINC000884591418 591989993 /nfs/dbraw/zinc/98/99/93/591989993.db2.gz RKTZAZWNXSKFGW-PHIMTYICSA-N 1 2 240.306 2.700 20 0 BFADLO Cc1[nH+]cnc(NCc2cc(C3CC3)no2)c1C ZINC000884636943 591999170 /nfs/dbraw/zinc/99/91/70/591999170.db2.gz VTGSSOWLNIWAIC-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO CCOc1ccc(NCc2c[nH+]cn2C)cc1F ZINC000135308574 592003763 /nfs/dbraw/zinc/00/37/63/592003763.db2.gz CTXAPCSSEVWGDD-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886044176 592139262 /nfs/dbraw/zinc/13/92/62/592139262.db2.gz SNICWGFWKFUWQI-RYUDHWBXSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886044176 592139263 /nfs/dbraw/zinc/13/92/63/592139263.db2.gz SNICWGFWKFUWQI-RYUDHWBXSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886044177 592139877 /nfs/dbraw/zinc/13/98/77/592139877.db2.gz SNICWGFWKFUWQI-VXGBXAGGSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886044177 592139880 /nfs/dbraw/zinc/13/98/80/592139880.db2.gz SNICWGFWKFUWQI-VXGBXAGGSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1[nH]nc(CNc2cccc(C3CC3)[nH+]2)c1C ZINC000886125528 592159096 /nfs/dbraw/zinc/15/90/96/592159096.db2.gz VFNZFLFPRMNTQZ-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1coc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886269351 592191547 /nfs/dbraw/zinc/19/15/47/592191547.db2.gz SVTMCSSRFOHQPL-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ncco1 ZINC000886272127 592192790 /nfs/dbraw/zinc/19/27/90/592192790.db2.gz HRACGWSVRZOKJE-DTWKUNHWSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ncco1 ZINC000886273577 592193431 /nfs/dbraw/zinc/19/34/31/592193431.db2.gz CARSLIIGUICQID-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1ncco1 ZINC000886532210 592249586 /nfs/dbraw/zinc/24/95/86/592249586.db2.gz GAZVZYLPSAXFTD-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cncs1 ZINC000886682994 592303134 /nfs/dbraw/zinc/30/31/34/592303134.db2.gz UYNMSCSJMLVNIP-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO FC(F)C[N@H+](CCc1ccncc1)C1CCC1 ZINC000887098912 592441277 /nfs/dbraw/zinc/44/12/77/592441277.db2.gz HQRIJVJCHUZINF-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)C[N@@H+](CCc1ccncc1)C1CCC1 ZINC000887098912 592441282 /nfs/dbraw/zinc/44/12/82/592441282.db2.gz HQRIJVJCHUZINF-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO CC(C)OCCC[N@H+](CC(F)F)C1CCC1 ZINC000887099117 592441785 /nfs/dbraw/zinc/44/17/85/592441785.db2.gz RQQBBTVPFSTVIQ-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887099117 592441787 /nfs/dbraw/zinc/44/17/87/592441787.db2.gz RQQBBTVPFSTVIQ-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)COCC[N@H+](CC(F)F)C1CCC1 ZINC000887102567 592443329 /nfs/dbraw/zinc/44/33/29/592443329.db2.gz VCKFSMADZQFDKM-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102567 592443331 /nfs/dbraw/zinc/44/33/31/592443331.db2.gz VCKFSMADZQFDKM-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO FC(F)C[N@H+](CCc1cncs1)C1CCC1 ZINC000887102226 592443799 /nfs/dbraw/zinc/44/37/99/592443799.db2.gz HXIOTACRLXZYFT-UHFFFAOYSA-N 1 2 246.326 2.805 20 0 BFADLO FC(F)C[N@@H+](CCc1cncs1)C1CCC1 ZINC000887102226 592443802 /nfs/dbraw/zinc/44/38/02/592443802.db2.gz HXIOTACRLXZYFT-UHFFFAOYSA-N 1 2 246.326 2.805 20 0 BFADLO CC(C)[C@@H](O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887104134 592444689 /nfs/dbraw/zinc/44/46/89/592444689.db2.gz YRUNAFNRCLQVPH-NSHDSACASA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@@H](O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887104134 592444692 /nfs/dbraw/zinc/44/46/92/592444692.db2.gz YRUNAFNRCLQVPH-NSHDSACASA-N 1 2 235.318 2.513 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+](C)CCCF)n1 ZINC000887137663 592453472 /nfs/dbraw/zinc/45/34/72/592453472.db2.gz PJZAEOAWDMLVQX-JTQLQIEISA-N 1 2 243.326 2.765 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000887137663 592453475 /nfs/dbraw/zinc/45/34/75/592453475.db2.gz PJZAEOAWDMLVQX-JTQLQIEISA-N 1 2 243.326 2.765 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000887877402 592555776 /nfs/dbraw/zinc/55/57/76/592555776.db2.gz BZRFAWIENGNJPF-GZMMTYOYSA-N 1 2 233.315 2.571 20 0 BFADLO COc1ccc2ccc(NC[C@@H](C)OC)[nH+]c2c1 ZINC000893395826 634399385 /nfs/dbraw/zinc/39/93/85/634399385.db2.gz BNTIZCPHJAVCID-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO CCC(F)(F)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933373668 631335812 /nfs/dbraw/zinc/33/58/12/631335812.db2.gz RDDCRSWUCKYUMH-SNVBAGLBSA-N 1 2 233.302 2.723 20 0 BFADLO Cc1cnc(Cl)c(C[NH+]2CCSCC2)c1 ZINC000891572218 631396635 /nfs/dbraw/zinc/39/66/35/631396635.db2.gz RRTGLDDPJCZMAF-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO COCC[N@H+](C/C=C\Cl)Cc1ccc(C)o1 ZINC000255376995 631414055 /nfs/dbraw/zinc/41/40/55/631414055.db2.gz JVGMXCATFXQJFL-UTCJRWHESA-N 1 2 243.734 2.789 20 0 BFADLO COCC[N@@H+](C/C=C\Cl)Cc1ccc(C)o1 ZINC000255376995 631414058 /nfs/dbraw/zinc/41/40/58/631414058.db2.gz JVGMXCATFXQJFL-UTCJRWHESA-N 1 2 243.734 2.789 20 0 BFADLO C[C@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]1CO ZINC000934013547 631594210 /nfs/dbraw/zinc/59/42/10/631594210.db2.gz IDGQYOUYXXSTQX-RKDXNWHRSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]1CO ZINC000934013547 631594216 /nfs/dbraw/zinc/59/42/16/631594216.db2.gz IDGQYOUYXXSTQX-RKDXNWHRSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000934017898 631614149 /nfs/dbraw/zinc/61/41/49/631614149.db2.gz IQZBGODUMZDXKM-NSHDSACASA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1 ZINC000934017898 631614153 /nfs/dbraw/zinc/61/41/53/631614153.db2.gz IQZBGODUMZDXKM-NSHDSACASA-N 1 2 246.137 2.560 20 0 BFADLO C[C@@H](c1nc(CCC(C)(C)C)no1)[NH+](C)C ZINC000349770179 631779835 /nfs/dbraw/zinc/77/98/35/631779835.db2.gz CMBDHMLSAPUZME-VIFPVBQESA-N 1 2 225.336 2.671 20 0 BFADLO CC[NH2+]Cc1noc(C[C@H](C)CC(C)(C)C)n1 ZINC000051860823 631973486 /nfs/dbraw/zinc/97/34/86/631973486.db2.gz HETPWZCSVKXXGO-JTQLQIEISA-N 1 2 239.363 2.794 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCc3cccnc32)no1 ZINC000091661432 632120152 /nfs/dbraw/zinc/12/01/52/632120152.db2.gz ZTPJHMWJIJUOAH-CYBMUJFWSA-N 1 2 243.310 2.545 20 0 BFADLO C[C@@H]([NH2+]Cc1cccnc1F)c1ccco1 ZINC000309825403 632673644 /nfs/dbraw/zinc/67/36/44/632673644.db2.gz XFWWBSMMGGNPBK-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000924543145 632796648 /nfs/dbraw/zinc/79/66/48/632796648.db2.gz PYQSNKCCFSCDOX-VHSXEESVSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc(NCc2cnc(Cl)s2)cc[nH+]1 ZINC000309221675 632823525 /nfs/dbraw/zinc/82/35/25/632823525.db2.gz VHQRTXAYUGLNBD-UHFFFAOYSA-N 1 2 240.719 2.507 20 0 BFADLO O=C(OC1CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180781181 633052241 /nfs/dbraw/zinc/05/22/41/633052241.db2.gz QGTAMNJGZZFPOJ-UHFFFAOYSA-N 1 2 242.278 2.582 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ncco1 ZINC000926785473 633063878 /nfs/dbraw/zinc/06/38/78/633063878.db2.gz LKAZZIZJAIUVTH-KXUCPTDWSA-N 1 2 212.268 2.606 20 0 BFADLO CC[C@@]1(C)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892723997 633193789 /nfs/dbraw/zinc/19/37/89/633193789.db2.gz QSBCLZQCMIQGHM-AWEZNQCLSA-N 1 2 244.342 2.746 20 0 BFADLO CC(C)C[C@@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892750095 633216767 /nfs/dbraw/zinc/21/67/67/633216767.db2.gz TVUNBJFACLCVLP-LBPRGKRZSA-N 1 2 244.342 2.602 20 0 BFADLO Cc1ccc(C[N@H+](C)Cn2cc(Cl)cn2)cc1 ZINC000126904986 636081526 /nfs/dbraw/zinc/08/15/26/636081526.db2.gz STWKHPYOKYLIBO-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cn2cc(Cl)cn2)cc1 ZINC000126904986 636081529 /nfs/dbraw/zinc/08/15/29/636081529.db2.gz STWKHPYOKYLIBO-UHFFFAOYSA-N 1 2 249.745 2.934 20 0 BFADLO CC(C)Cc1ccc(C[NH2+]Cc2ccon2)cn1 ZINC000893098621 633832564 /nfs/dbraw/zinc/83/25/64/633832564.db2.gz PUPWRZUKJCPMMB-UHFFFAOYSA-N 1 2 245.326 2.558 20 0 BFADLO CNc1cc(N2CC[C@@]3(CC[C@H](C)C3)C2)nc[nH+]1 ZINC000893119990 633843383 /nfs/dbraw/zinc/84/33/83/633843383.db2.gz DTYRTONJVHCIFT-SMDDNHRTSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@@]3(CC[C@H](C)C3)C2)[nH+]cn1 ZINC000893119990 633843387 /nfs/dbraw/zinc/84/33/87/633843387.db2.gz DTYRTONJVHCIFT-SMDDNHRTSA-N 1 2 246.358 2.535 20 0 BFADLO c1cc2cc(NCc3ccoc3)[nH+]cc2[nH]1 ZINC000309382587 633903971 /nfs/dbraw/zinc/90/39/71/633903971.db2.gz SEYLMUYUALGPBT-UHFFFAOYSA-N 1 2 213.240 2.768 20 0 BFADLO COc1ccsc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000309921203 633942384 /nfs/dbraw/zinc/94/23/84/633942384.db2.gz SCMQURMDIHFIRD-MRVPVSSYSA-N 1 2 238.312 2.596 20 0 BFADLO CO[C@](C)(CNc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000895644878 636170804 /nfs/dbraw/zinc/17/08/04/636170804.db2.gz HBUAXGAZVKYJPE-CQSZACIVSA-N 1 2 234.343 2.925 20 0 BFADLO FC(F)(F)[C@H]1CN(c2cccc[nH+]2)CCS1 ZINC000895603457 636165339 /nfs/dbraw/zinc/16/53/39/636165339.db2.gz YMANVFBAPHXUDA-MRVPVSSYSA-N 1 2 248.273 2.566 20 0 BFADLO C[C@@H](CC(=O)OC[C@]12C[C@H]1CCC2)n1cc[nH+]c1 ZINC000893630049 635343045 /nfs/dbraw/zinc/34/30/45/635343045.db2.gz OQTFAXJMBGSOGL-SCRDCRAPSA-N 1 2 248.326 2.568 20 0 BFADLO Cc1cc(NC2CC(n3cccn3)C2)c[nH+]c1C ZINC000895644481 636171717 /nfs/dbraw/zinc/17/17/17/636171717.db2.gz BBNKJRUYRMALRL-UHFFFAOYSA-N 1 2 242.326 2.711 20 0 BFADLO CCOc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000067647812 636758709 /nfs/dbraw/zinc/75/87/09/636758709.db2.gz CAAZMFOGBARQOK-BQYQJAHWSA-N 1 2 242.278 2.705 20 0 BFADLO CCCc1noc([C@H](CC(C)C)n2cc[nH+]c2)n1 ZINC000923801770 637018500 /nfs/dbraw/zinc/01/85/00/637018500.db2.gz ZREQKYBZNGBXGU-NSHDSACASA-N 1 2 248.330 2.854 20 0 BFADLO CC[C@@H]1C[C@H]1c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904262742 637395209 /nfs/dbraw/zinc/39/52/09/637395209.db2.gz KMXUDZICIZUJIR-PSASIEDQSA-N 1 2 244.298 2.536 20 0 BFADLO CN(C)c1cc(-c2cccc3c2NCC3)cc[nH+]1 ZINC000904848794 637504426 /nfs/dbraw/zinc/50/44/26/637504426.db2.gz FVFLQUUKPLHJGY-UHFFFAOYSA-N 1 2 239.322 2.783 20 0 BFADLO COc1cccc(-c2c[nH+]c(C)n2C)c1F ZINC000904887981 637511622 /nfs/dbraw/zinc/51/16/22/637511622.db2.gz HYYPCCSKXGNXPL-UHFFFAOYSA-N 1 2 220.247 2.543 20 0 BFADLO CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905017065 637550271 /nfs/dbraw/zinc/55/02/71/637550271.db2.gz DEVRKVSXNVKDDR-VIFPVBQESA-N 1 2 220.316 2.535 20 0 BFADLO C/C(=C\c1c[nH+]cn1C(C)C)c1ncccn1 ZINC000905076185 637605177 /nfs/dbraw/zinc/60/51/77/637605177.db2.gz BZVMQMCGCLNFFT-YRNVUSSQSA-N 1 2 228.299 2.815 20 0 BFADLO CCCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906040567 638028837 /nfs/dbraw/zinc/02/88/37/638028837.db2.gz SNSXFIYKQBAWPX-UHFFFAOYSA-N 1 2 234.343 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)CC(C)C)c(C)[nH+]1 ZINC000906039564 638030250 /nfs/dbraw/zinc/03/02/50/638030250.db2.gz JRQDWJVHXNLSMP-UHFFFAOYSA-N 1 2 234.343 2.735 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC2(C)C)c(C)[nH+]1 ZINC000906767712 638242750 /nfs/dbraw/zinc/24/27/50/638242750.db2.gz ODKXORCCFRNKMQ-UHFFFAOYSA-N 1 2 232.327 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)NCCC2CC2)c(C)[nH+]1 ZINC000906828634 638252135 /nfs/dbraw/zinc/25/21/35/638252135.db2.gz YWYPLWNBPNKINV-UHFFFAOYSA-N 1 2 232.327 2.537 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@@H]2C)c(C)[nH+]1 ZINC000906855551 638262250 /nfs/dbraw/zinc/26/22/50/638262250.db2.gz LDYNBUJRNQCDGA-NSHDSACASA-N 1 2 232.327 2.631 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043534401 638530754 /nfs/dbraw/zinc/53/07/54/638530754.db2.gz CKAVLNZHRPBFGK-QWHCGFSZSA-N 1 2 249.354 2.721 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000043534400 638530960 /nfs/dbraw/zinc/53/09/60/638530960.db2.gz CKAVLNZHRPBFGK-OLZOCXBDSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000911328977 639620238 /nfs/dbraw/zinc/62/02/38/639620238.db2.gz YANONNAZWJITAJ-CLLJXQQHSA-N 1 2 244.338 2.535 20 0 BFADLO Cc1nnsc1[C@H](C)[NH+]1CCC(F)(F)CC1 ZINC000930291770 639683726 /nfs/dbraw/zinc/68/37/26/639683726.db2.gz ARTXIWTVLRIXMG-QMMMGPOBSA-N 1 2 247.314 2.639 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930602856 639817250 /nfs/dbraw/zinc/81/72/50/639817250.db2.gz FHDMZXASVLWKGU-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930602856 639817251 /nfs/dbraw/zinc/81/72/51/639817251.db2.gz FHDMZXASVLWKGU-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO CCc1onc(C)c1C[N@@H+]1CCC=C(Cl)C1 ZINC000930843014 639941986 /nfs/dbraw/zinc/94/19/86/639941986.db2.gz NDDJBWZGNJAHON-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO CCc1onc(C)c1C[N@H+]1CCC=C(Cl)C1 ZINC000930843014 639941993 /nfs/dbraw/zinc/94/19/93/639941993.db2.gz NDDJBWZGNJAHON-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CCCC(F)(F)C2)c1 ZINC000930847310 639945719 /nfs/dbraw/zinc/94/57/19/639945719.db2.gz DZDHYBFRTKYESM-UHFFFAOYSA-N 1 2 240.297 2.930 20 0 BFADLO CCC[C@H](CC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930979114 640012337 /nfs/dbraw/zinc/01/23/37/640012337.db2.gz JBBROQKHWOPQKB-NSHDSACASA-N 1 2 245.326 2.871 20 0 BFADLO CCCCCC[N@@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135179 640073909 /nfs/dbraw/zinc/07/39/09/640073909.db2.gz UMASWAKPBDLKND-NSHDSACASA-N 1 2 222.336 2.522 20 0 BFADLO CCCCCC[N@H+]1CCC[C@H]1c1nnc[nH]1 ZINC000931135179 640073914 /nfs/dbraw/zinc/07/39/14/640073914.db2.gz UMASWAKPBDLKND-NSHDSACASA-N 1 2 222.336 2.522 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC000931420784 640189003 /nfs/dbraw/zinc/18/90/03/640189003.db2.gz JGPAOIHSYVKSIV-SNVBAGLBSA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1CCC1CCCC1 ZINC000931420784 640189008 /nfs/dbraw/zinc/18/90/08/640189008.db2.gz JGPAOIHSYVKSIV-SNVBAGLBSA-N 1 2 203.276 2.906 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2F)Cc2c[nH]nc21 ZINC000931452944 640212654 /nfs/dbraw/zinc/21/26/54/640212654.db2.gz DXGUXWUOMUCWHL-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2c[nH]nc21 ZINC000931452944 640212657 /nfs/dbraw/zinc/21/26/57/640212657.db2.gz DXGUXWUOMUCWHL-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(F)cc2C)o1 ZINC000932562858 640575470 /nfs/dbraw/zinc/57/54/70/640575470.db2.gz UIRIIRSYRZBKFM-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO FC1(C2CC2)CC[NH+](Cc2cscn2)CC1 ZINC000932632026 640590772 /nfs/dbraw/zinc/59/07/72/640590772.db2.gz DNYQVISGUUBUIA-UHFFFAOYSA-N 1 2 240.347 2.857 20 0 BFADLO Cc1ccc(CC[N@@H+]2CCCC(=O)[C@H]2C)cc1 ZINC000932850402 640624609 /nfs/dbraw/zinc/62/46/09/640624609.db2.gz LCKWIENZRMVGRQ-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[N@H+]2CCCC(=O)[C@H]2C)cc1 ZINC000932850402 640624615 /nfs/dbraw/zinc/62/46/15/640624615.db2.gz LCKWIENZRMVGRQ-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO C[N@H+](CC1CCCC1)Cn1ncsc1=S ZINC000058207406 640690751 /nfs/dbraw/zinc/69/07/51/640690751.db2.gz ZEPMLSGSYNSDAT-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO C[N@@H+](CC1CCCC1)Cn1ncsc1=S ZINC000058207406 640690756 /nfs/dbraw/zinc/69/07/56/640690756.db2.gz ZEPMLSGSYNSDAT-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO Cc1cc(NC(=O)c2cccnc2Cl)cc[nH+]1 ZINC000078468088 640713654 /nfs/dbraw/zinc/71/36/54/640713654.db2.gz LCZFDNQPBZCENK-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO O[C@@H]1CCc2ccccc2[C@@H]1Nc1cccc[nH+]1 ZINC000038954055 640747759 /nfs/dbraw/zinc/74/77/59/640747759.db2.gz RIWWIIPSVGSRLC-HIFRSBDPSA-N 1 2 240.306 2.542 20 0 BFADLO Cc1nccnc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005240 640804383 /nfs/dbraw/zinc/80/43/83/640804383.db2.gz XSMIATPMDJBWGS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nccnc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005240 640804388 /nfs/dbraw/zinc/80/43/88/640804388.db2.gz XSMIATPMDJBWGS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(C(C)C)c1 ZINC000595471504 640822963 /nfs/dbraw/zinc/82/29/63/640822963.db2.gz AVFVOGLELOMCHL-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC000595471504 640822965 /nfs/dbraw/zinc/82/29/65/640822965.db2.gz AVFVOGLELOMCHL-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO CNc1cc(NCc2ccc(C)s2)nc[nH+]1 ZINC000087826114 641060312 /nfs/dbraw/zinc/06/03/12/641060312.db2.gz GETCGEGGXABWIE-UHFFFAOYSA-N 1 2 234.328 2.500 20 0 BFADLO CNc1cc(NCc2ccc(C)s2)[nH+]cn1 ZINC000087826114 641060322 /nfs/dbraw/zinc/06/03/22/641060322.db2.gz GETCGEGGXABWIE-UHFFFAOYSA-N 1 2 234.328 2.500 20 0 BFADLO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1c(F)cccc1F ZINC000934113829 641076117 /nfs/dbraw/zinc/07/61/17/641076117.db2.gz PFAMGHIWHORNLQ-CHWSQXEVSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1c(F)cccc1F ZINC000934113829 641076120 /nfs/dbraw/zinc/07/61/20/641076120.db2.gz PFAMGHIWHORNLQ-CHWSQXEVSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1c(F)cccc1F ZINC000934113834 641077261 /nfs/dbraw/zinc/07/72/61/641077261.db2.gz PFAMGHIWHORNLQ-STQMWFEESA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1c(F)cccc1F ZINC000934113834 641077267 /nfs/dbraw/zinc/07/72/67/641077267.db2.gz PFAMGHIWHORNLQ-STQMWFEESA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@H]1CC[C@H]1[N@H+](C)Cc1c(F)cccc1F ZINC000934113831 641077912 /nfs/dbraw/zinc/07/79/12/641077912.db2.gz PFAMGHIWHORNLQ-OLZOCXBDSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1c(F)cccc1F ZINC000934113831 641077915 /nfs/dbraw/zinc/07/79/15/641077915.db2.gz PFAMGHIWHORNLQ-OLZOCXBDSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1c(F)cccc1F ZINC000934113832 641078559 /nfs/dbraw/zinc/07/85/59/641078559.db2.gz PFAMGHIWHORNLQ-QWHCGFSZSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1c(F)cccc1F ZINC000934113832 641078564 /nfs/dbraw/zinc/07/85/64/641078564.db2.gz PFAMGHIWHORNLQ-QWHCGFSZSA-N 1 2 241.281 2.574 20 0 BFADLO CCCCC1([NH2+]CC(=O)OC(C)(C)C)CC1 ZINC000934208996 641103557 /nfs/dbraw/zinc/10/35/57/641103557.db2.gz HWUJMAIGAMTCKO-UHFFFAOYSA-N 1 2 227.348 2.641 20 0 BFADLO C[NH+](C)c1ccc(NCc2ccoc2)cc1 ZINC000063046958 641121715 /nfs/dbraw/zinc/12/17/15/641121715.db2.gz NAGCLOFYFNGNMN-UHFFFAOYSA-N 1 2 216.284 2.958 20 0 BFADLO OCCCCCCC[N@H+](CC(F)F)C1CC1 ZINC000173711455 641195570 /nfs/dbraw/zinc/19/55/70/641195570.db2.gz MEFIPAVZKXIFHY-UHFFFAOYSA-N 1 2 235.318 2.659 20 0 BFADLO OCCCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000173711455 641195575 /nfs/dbraw/zinc/19/55/75/641195575.db2.gz MEFIPAVZKXIFHY-UHFFFAOYSA-N 1 2 235.318 2.659 20 0 BFADLO Cc1cnc(C[NH2+][C@H](c2ccncc2)C2CC2)o1 ZINC000934692790 641247407 /nfs/dbraw/zinc/24/74/07/641247407.db2.gz QTVBLNRGGQXBPE-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO CCC[NH+](CCC)Cn1ncn(CC)c1=S ZINC000935193883 641362390 /nfs/dbraw/zinc/36/23/90/641362390.db2.gz YJZOUQPZLSLHIN-UHFFFAOYSA-N 1 2 242.392 2.513 20 0 BFADLO C[C@@H](c1noc([C@H](C)[NH+](C)C)n1)C(C)(C)C ZINC000350610271 641372163 /nfs/dbraw/zinc/37/21/63/641372163.db2.gz YKOIUHCRVSLPKE-IUCAKERBSA-N 1 2 225.336 2.842 20 0 BFADLO C[C@@H](c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000350605299 641372662 /nfs/dbraw/zinc/37/26/62/641372662.db2.gz ZTWVXXADEFGHQM-VIFPVBQESA-N 1 2 223.320 2.740 20 0 BFADLO CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929715209 641416309 /nfs/dbraw/zinc/41/63/09/641416309.db2.gz HPJJFSRWJWMLGG-UHFFFAOYSA-N 1 2 245.326 2.873 20 0 BFADLO CC(C)=CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935610655 641447947 /nfs/dbraw/zinc/44/79/47/641447947.db2.gz OALBLUZJYSEBMB-UHFFFAOYSA-N 1 2 243.310 2.649 20 0 BFADLO Cc1ccc(NC(=O)C2=CCCC2)c(N(C)C)[nH+]1 ZINC000152615757 641623343 /nfs/dbraw/zinc/62/33/43/641623343.db2.gz RYHXPPUEVYNSCW-UHFFFAOYSA-N 1 2 245.326 2.505 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@H]2C=CCC2)c(C)[nH+]1 ZINC000914287408 641632993 /nfs/dbraw/zinc/63/29/93/641632993.db2.gz SBSCKTOEHNZQPD-ZDUSSCGKSA-N 1 2 244.338 2.703 20 0 BFADLO Cc1cc(C)c(NC(=O)Cc2c[nH]c[nH+]2)c(C)c1 ZINC000074673485 641720621 /nfs/dbraw/zinc/72/06/21/641720621.db2.gz AQWCJMMRBXJMOP-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO Cl/C=C\C[N@@H+]1CCOc2ccccc2C1 ZINC000917087088 642005915 /nfs/dbraw/zinc/00/59/15/642005915.db2.gz QCNPUQAJKBMIGC-UTCJRWHESA-N 1 2 223.703 2.634 20 0 BFADLO Cl/C=C\C[N@H+]1CCOc2ccccc2C1 ZINC000917087088 642005916 /nfs/dbraw/zinc/00/59/16/642005916.db2.gz QCNPUQAJKBMIGC-UTCJRWHESA-N 1 2 223.703 2.634 20 0 BFADLO CCn1c[nH+]c2c1CCN(Cc1ccsc1)C2 ZINC000933253234 642418038 /nfs/dbraw/zinc/41/80/38/642418038.db2.gz NOEPOIVUERLCNK-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CC(C)=CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000071478606 642458625 /nfs/dbraw/zinc/45/86/25/642458625.db2.gz IBDDJMSNGFPGSD-UHFFFAOYSA-N 1 2 229.283 2.547 20 0 BFADLO CC[C@H](C)C[N@H+](CC)Cn1ncsc1=S ZINC000174942886 642638711 /nfs/dbraw/zinc/63/87/11/642638711.db2.gz CEBONWIACLZQLY-VIFPVBQESA-N 1 2 245.417 3.000 20 0 BFADLO CC[C@H](C)C[N@@H+](CC)Cn1ncsc1=S ZINC000174942886 642638720 /nfs/dbraw/zinc/63/87/20/642638720.db2.gz CEBONWIACLZQLY-VIFPVBQESA-N 1 2 245.417 3.000 20 0 BFADLO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccco1 ZINC000921474379 642632165 /nfs/dbraw/zinc/63/21/65/642632165.db2.gz VYBDNUYDWKCMFK-UHFFFAOYSA-N 1 2 239.706 2.508 20 0 BFADLO CC1(C)C[NH+](Cc2cccnc2Cl)C1 ZINC000306172127 642729444 /nfs/dbraw/zinc/72/94/44/642729444.db2.gz FQIYAGQWKPCTLH-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO Cc1cc(NC(=O)C[C@H](C)C2CC2)cc[nH+]1 ZINC000068014650 642733747 /nfs/dbraw/zinc/73/37/47/642733747.db2.gz NSBBOLYHRNIOJI-VIFPVBQESA-N 1 2 218.300 2.765 20 0 BFADLO CC[N@H+](C)[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000181167997 642845364 /nfs/dbraw/zinc/84/53/64/642845364.db2.gz KYRQHWCHOABILZ-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](C)[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000181167997 642845366 /nfs/dbraw/zinc/84/53/66/642845366.db2.gz KYRQHWCHOABILZ-AWEZNQCLSA-N 1 2 247.338 2.775 20 0 BFADLO CC(C)CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181972375 642932686 /nfs/dbraw/zinc/93/26/86/642932686.db2.gz JOMWCJIQBNMPKA-CQSZACIVSA-N 1 2 249.354 2.879 20 0 BFADLO CC[N@H+](CCC#N)C[C@H](O)c1cc(C)cc(C)c1 ZINC000081039548 643287319 /nfs/dbraw/zinc/28/73/19/643287319.db2.gz FGWLBJLRDITSAX-HNNXBMFYSA-N 1 2 246.354 2.572 20 0 BFADLO CC[N@@H+](CCC#N)C[C@H](O)c1cc(C)cc(C)c1 ZINC000081039548 643287330 /nfs/dbraw/zinc/28/73/30/643287330.db2.gz FGWLBJLRDITSAX-HNNXBMFYSA-N 1 2 246.354 2.572 20 0 BFADLO CC[N@H+](CCCC(=O)OC)c1ccc(C)cc1 ZINC000049987477 643575325 /nfs/dbraw/zinc/57/53/25/643575325.db2.gz INUDCAFBSTWDOG-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CC[N@@H+](CCCC(=O)OC)c1ccc(C)cc1 ZINC000049987477 643575332 /nfs/dbraw/zinc/57/53/32/643575332.db2.gz INUDCAFBSTWDOG-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO c1nn(C2CCC2)cc1CNc1cccc[nH+]1 ZINC000921563429 643609914 /nfs/dbraw/zinc/60/99/14/643609914.db2.gz PKNLYDQYZCZTOU-UHFFFAOYSA-N 1 2 228.299 2.615 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CSc3ccccc32)on1 ZINC000156267578 643770169 /nfs/dbraw/zinc/77/01/69/643770169.db2.gz AZIFSKLXODDRAM-GFCCVEGCSA-N 1 2 246.335 2.920 20 0 BFADLO CCc1onc(C)c1NCc1c[nH+]cn1C(C)C ZINC000922131870 643868545 /nfs/dbraw/zinc/86/85/45/643868545.db2.gz QRPNTKYRTYGPNL-UHFFFAOYSA-N 1 2 248.330 2.935 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](C/C=C\Cl)CC2 ZINC000255755816 643882090 /nfs/dbraw/zinc/88/20/90/643882090.db2.gz ONRDMKWVZVSMFY-KTAJNNJTSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](C/C=C\Cl)CC2 ZINC000255755816 643882093 /nfs/dbraw/zinc/88/20/93/643882093.db2.gz ONRDMKWVZVSMFY-KTAJNNJTSA-N 1 2 225.694 2.936 20 0 BFADLO CCC[C@@H](C)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922401024 643987564 /nfs/dbraw/zinc/98/75/64/643987564.db2.gz WKJHYVPEHCYCEO-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO Nc1ccc(COC(=O)CC2=CCCCC2)c[nH+]1 ZINC000922421091 643990784 /nfs/dbraw/zinc/99/07/84/643990784.db2.gz PPDYFQLLAAIDHR-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C/C(=C\C(=O)OCc1ccc(N)[nH+]c1)C(C)(C)C ZINC000922498639 644003542 /nfs/dbraw/zinc/00/35/42/644003542.db2.gz WWPXWBJFJCIEOM-JXMROGBWSA-N 1 2 248.326 2.699 20 0 BFADLO C/C(=C/C(=O)OCc1ccc[nH+]c1N)C(C)(C)C ZINC000922498900 644003762 /nfs/dbraw/zinc/00/37/62/644003762.db2.gz ZXGKRRNQBJVAEA-NTMALXAHSA-N 1 2 248.326 2.699 20 0 BFADLO C/C(=C/C(=O)OCc1ccc(N)[nH+]c1)C(C)(C)C ZINC000922498641 644004732 /nfs/dbraw/zinc/00/47/32/644004732.db2.gz WWPXWBJFJCIEOM-YFHOEESVSA-N 1 2 248.326 2.699 20 0 BFADLO C[C@H](C(=O)OCc1ccc[nH+]c1N)C1CCCC1 ZINC000922509389 644007531 /nfs/dbraw/zinc/00/75/31/644007531.db2.gz FBDSFDSLPXTDNX-JTQLQIEISA-N 1 2 248.326 2.533 20 0 BFADLO c1nc(C[NH2+][C@H](c2ccccn2)C2CC2)cs1 ZINC000922586386 644036349 /nfs/dbraw/zinc/03/63/49/644036349.db2.gz LPQIYTNICLPUPR-ZDUSSCGKSA-N 1 2 245.351 2.779 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1C ZINC000922672525 644065478 /nfs/dbraw/zinc/06/54/78/644065478.db2.gz VXZXECDPCYRCKX-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO CCCC[C@@H](C)C(=O)OCc1ccc[nH+]c1N ZINC000922707371 644072584 /nfs/dbraw/zinc/07/25/84/644072584.db2.gz SPTBLKMSHPIPTO-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922774199 644090683 /nfs/dbraw/zinc/09/06/83/644090683.db2.gz XIEZMRLBFOXDED-NWDGAFQWSA-N 1 2 248.326 2.533 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922772611 644092265 /nfs/dbraw/zinc/09/22/65/644092265.db2.gz FIMHSHCJFJZAHH-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@H](CC)C(=O)OCc1ccc[nH+]c1N ZINC000922925475 644188846 /nfs/dbraw/zinc/18/88/46/644188846.db2.gz QEBUSZVHWLWUAH-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO CCCCC[C@H](C)Cc1nc(C[NH2+]CC)no1 ZINC000843144454 644861026 /nfs/dbraw/zinc/86/10/26/644861026.db2.gz CMMAKPBSBAKUIO-NSHDSACASA-N 1 2 239.363 2.938 20 0 BFADLO Cc1cn[nH]c1CNc1cc2c(c[nH+]1)CCCC2 ZINC000812782029 644930259 /nfs/dbraw/zinc/93/02/59/644930259.db2.gz MFZPOFRYUVKFQV-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ccns2)o1 ZINC000926536456 645263009 /nfs/dbraw/zinc/26/30/09/645263009.db2.gz DPIGQVZLCXXXAW-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000844267919 645319715 /nfs/dbraw/zinc/31/97/15/645319715.db2.gz DNWMSONQGOPYFE-GFCCVEGCSA-N 1 2 244.294 2.748 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2ccns2)c1 ZINC000926662985 645342508 /nfs/dbraw/zinc/34/25/08/645342508.db2.gz SVFCNPRFZWZJCW-SECBINFHSA-N 1 2 249.339 2.858 20 0 BFADLO CC[C@@H]1COC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000926855316 645456464 /nfs/dbraw/zinc/45/64/64/645456464.db2.gz JOKGBHXTHJHTES-DGCLKSJQSA-N 1 2 220.316 2.535 20 0 BFADLO C[C@@H](N[C@H](C)C(F)F)c1cn2c([nH+]1)CCCC2 ZINC000926867458 645464043 /nfs/dbraw/zinc/46/40/43/645464043.db2.gz UYEUTBDBAPJOLP-RKDXNWHRSA-N 1 2 243.301 2.524 20 0 BFADLO Cc1nc(N[C@H]2C=CCC2)c2c([nH+]1)CCCC2 ZINC000853799527 645499381 /nfs/dbraw/zinc/49/93/81/645499381.db2.gz INFANMIWLLPXMS-NSHDSACASA-N 1 2 229.327 2.794 20 0 BFADLO CCc1ncc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000929198768 645997818 /nfs/dbraw/zinc/99/78/18/645997818.db2.gz JKOJTJMAFOINCQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO CCc1ncc(C[N@H+]2CCc3sccc3C2)o1 ZINC000929198768 645997831 /nfs/dbraw/zinc/99/78/31/645997831.db2.gz JKOJTJMAFOINCQ-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO COc1ccnc([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000924538905 646058785 /nfs/dbraw/zinc/05/87/85/646058785.db2.gz FMGJZOBYMXNIRV-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ncccn2)c1 ZINC000929299133 646070817 /nfs/dbraw/zinc/07/08/17/646070817.db2.gz XTIQMCRTITZZKJ-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1cccc(C[N@H+](C)[C@@H](C)c2ncccn2)c1 ZINC000929299133 646070821 /nfs/dbraw/zinc/07/08/21/646070821.db2.gz XTIQMCRTITZZKJ-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccns2)on1 ZINC000925127204 646191239 /nfs/dbraw/zinc/19/12/39/646191239.db2.gz FRMVYGIBPXSDQR-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCOC1)C(F)(F)c1ccccc1 ZINC000925618683 646365992 /nfs/dbraw/zinc/36/59/92/646365992.db2.gz XDOSHHTYWWJZAP-ZYHUDNBSSA-N 1 2 241.281 2.545 20 0 BFADLO CC(C)[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929906904 646369624 /nfs/dbraw/zinc/36/96/24/646369624.db2.gz DWZFEIFHTAECOU-JTQLQIEISA-N 1 2 245.326 2.679 20 0 BFADLO COC/C(C)=C/C[N@H+](CC(F)F)CC1CCC1 ZINC000930132251 646451341 /nfs/dbraw/zinc/45/13/41/646451341.db2.gz VHTQCIQDXWYNGA-IZZDOVSWSA-N 1 2 247.329 2.946 20 0 BFADLO COC/C(C)=C/C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132251 646451348 /nfs/dbraw/zinc/45/13/48/646451348.db2.gz VHTQCIQDXWYNGA-IZZDOVSWSA-N 1 2 247.329 2.946 20 0 BFADLO CCOCC[N@H+](C)Cc1c(F)ccc(C)c1F ZINC000930174829 646477148 /nfs/dbraw/zinc/47/71/48/646477148.db2.gz DFXXFVKWVQPHAF-UHFFFAOYSA-N 1 2 243.297 2.742 20 0 BFADLO CCOCC[N@@H+](C)Cc1c(F)ccc(C)c1F ZINC000930174829 646477152 /nfs/dbraw/zinc/47/71/52/646477152.db2.gz DFXXFVKWVQPHAF-UHFFFAOYSA-N 1 2 243.297 2.742 20 0 BFADLO CC[C@@H](CO)[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926232718 646601570 /nfs/dbraw/zinc/60/15/70/646601570.db2.gz PPTQEGVXGYPBFU-PWSUYJOCSA-N 1 2 243.297 2.527 20 0 BFADLO CO[C@@H](C)C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926242502 646602812 /nfs/dbraw/zinc/60/28/12/646602812.db2.gz BLQQSNKSOWCZCC-WDEREUQCSA-N 1 2 243.297 2.791 20 0 BFADLO CCC1(O)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000707480031 712171189 /nfs/dbraw/zinc/17/11/89/712171189.db2.gz WDIKIERFBZKXAU-VQHVLOKHSA-N 1 2 238.158 2.542 20 0 BFADLO CC(C)[N@H+](C/C(Cl)=C/Cl)[C@@H]1CCOC1 ZINC000812861400 712586998 /nfs/dbraw/zinc/58/69/98/712586998.db2.gz UCFCNEOSAWRASL-HYHWUIIZSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)[N@@H+](C/C(Cl)=C/Cl)[C@@H]1CCOC1 ZINC000812861400 712586999 /nfs/dbraw/zinc/58/69/99/712586999.db2.gz UCFCNEOSAWRASL-HYHWUIIZSA-N 1 2 238.158 2.805 20 0 BFADLO FC(F)c1noc(C[NH+]2CCCCCCC2)n1 ZINC000822564720 712591227 /nfs/dbraw/zinc/59/12/27/712591227.db2.gz RBZIAQAWBUCCOM-UHFFFAOYSA-N 1 2 245.273 2.773 20 0 BFADLO CCc1cnc(C[NH2+]Cc2cc(C)co2)s1 ZINC000718059225 712740129 /nfs/dbraw/zinc/74/01/29/712740129.db2.gz SCKDUQGKIISNOE-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1coc(C[NH2+]Cc2ncc(C)s2)c1 ZINC000718122022 712745449 /nfs/dbraw/zinc/74/54/49/712745449.db2.gz KXVNFZQOFKDYSL-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1conc1C[NH2+][C@H](C)c1ccsc1 ZINC000720420680 712841471 /nfs/dbraw/zinc/84/14/71/712841471.db2.gz ATBNKJRGIHXVSN-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000381613508 710660537 /nfs/dbraw/zinc/66/05/37/710660537.db2.gz UBUMYTSXKGWEBG-UWVGGRQHSA-N 1 2 221.300 2.772 20 0 BFADLO Cc1nnc(C[NH2+]Cc2cc(C)cc(C)c2)s1 ZINC000391776852 711139948 /nfs/dbraw/zinc/13/99/48/711139948.db2.gz KECYAHQTSDMZCU-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO CC[C@H]([NH2+]Cc1cocn1)c1ccccc1OC ZINC000395151075 711203187 /nfs/dbraw/zinc/20/31/87/711203187.db2.gz MBHWBPCSMAOSDD-ZDUSSCGKSA-N 1 2 246.310 2.924 20 0 BFADLO Cc1cc(NCC2(F)CC2)ccc1[NH+](C)C ZINC000381293692 710617502 /nfs/dbraw/zinc/61/75/02/710617502.db2.gz FJFMEPQZTYQRTH-UHFFFAOYSA-N 1 2 222.307 2.975 20 0 BFADLO Cn1c[nH+]cc1/C=C\c1nc2c(s1)CCC2 ZINC000901551763 710871731 /nfs/dbraw/zinc/87/17/31/710871731.db2.gz MWVDSAVKDJRKII-WAYWQWQTSA-N 1 2 231.324 2.536 20 0 BFADLO CC1(C)CC[C@@H]1[NH2+]CC(F)(F)C(F)F ZINC000308530645 711525627 /nfs/dbraw/zinc/52/56/27/711525627.db2.gz KRBKQSHORXFYFT-LURJTMIESA-N 1 2 213.218 2.665 20 0 BFADLO FC(F)CC1C[NH+](Cc2ccc(Cl)cn2)C1 ZINC000895055746 711775137 /nfs/dbraw/zinc/77/51/37/711775137.db2.gz WVZXQXZONMIJTQ-UHFFFAOYSA-N 1 2 246.688 2.822 20 0 BFADLO Cn1c2ccccc2n(C[N@H+](C)C2CC2)c1=S ZINC000046477691 711776908 /nfs/dbraw/zinc/77/69/08/711776908.db2.gz JGYAIRUXJPEQGY-UHFFFAOYSA-N 1 2 247.367 2.761 20 0 BFADLO Cn1c2ccccc2n(C[N@@H+](C)C2CC2)c1=S ZINC000046477691 711776909 /nfs/dbraw/zinc/77/69/09/711776909.db2.gz JGYAIRUXJPEQGY-UHFFFAOYSA-N 1 2 247.367 2.761 20 0 BFADLO CN(CCc1ccccc1F)c1cccc[nH+]1 ZINC000068772896 711888665 /nfs/dbraw/zinc/88/86/65/711888665.db2.gz GGWLRGACCWELPC-UHFFFAOYSA-N 1 2 230.286 2.900 20 0 BFADLO C[C@@H]([NH2+]CCC1(F)CCC1)C(=O)OC(C)(C)C ZINC000702435212 712053235 /nfs/dbraw/zinc/05/32/35/712053235.db2.gz NHTMCPFSVMMZOE-SNVBAGLBSA-N 1 2 245.338 2.589 20 0 BFADLO Cc1[nH]c(CNc2ccc(Cl)nc2)[nH+]c1C ZINC000709057558 712206604 /nfs/dbraw/zinc/20/66/04/712206604.db2.gz YAEIPQHBCIGLPO-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)c(C)c1 ZINC000709067242 712207526 /nfs/dbraw/zinc/20/75/26/712207526.db2.gz XMXGVYZTOOSCHQ-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO CC[NH2+]Cc1noc(C[C@H](CC)C(C)(C)C)n1 ZINC000711149658 712286315 /nfs/dbraw/zinc/28/63/15/712286315.db2.gz UMKZBTBJXDZOQB-JTQLQIEISA-N 1 2 239.363 2.794 20 0 BFADLO CCC(CC)C[NH2+]CC(F)(F)Br ZINC000379313042 712373241 /nfs/dbraw/zinc/37/32/41/712373241.db2.gz DPLLUSIYQIJASN-UHFFFAOYSA-N 1 2 244.123 3.000 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000711731348 712320258 /nfs/dbraw/zinc/32/02/58/712320258.db2.gz JMSMIFDAOIIPED-UHFFFAOYSA-N 1 2 245.301 2.647 20 0 BFADLO c1ccc(NCC[C@H]2CCC3(CCC3)O2)[nH+]c1 ZINC000717085413 712629919 /nfs/dbraw/zinc/62/99/19/712629919.db2.gz RKCDKCFWNGVQBP-GFCCVEGCSA-N 1 2 232.327 2.985 20 0 BFADLO Cc1nc(NCC[C@@H]2CCC3(CCC3)O2)cc[nH+]1 ZINC000717088567 712630198 /nfs/dbraw/zinc/63/01/98/712630198.db2.gz IUZSNGRDJHDVIP-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@H](C)C2)cc(C)c1F ZINC001143374463 957060538 /nfs/dbraw/zinc/06/05/38/957060538.db2.gz YQOJXGXBFLBURG-GFCCVEGCSA-N 1 2 237.318 2.663 20 0 BFADLO Nc1ccc(Cl)cc1C[NH+]1CC(C(F)F)C1 ZINC000706489480 957918933 /nfs/dbraw/zinc/91/89/33/957918933.db2.gz IHKUTQZILDZUCL-UHFFFAOYSA-N 1 2 246.688 2.619 20 0 BFADLO Cc1cc(NC(C)(C)CCO)ccc1[NH+](C)C ZINC001167741474 960393085 /nfs/dbraw/zinc/39/30/85/960393085.db2.gz GSVRUSHGBINHGL-UHFFFAOYSA-N 1 2 236.359 2.634 20 0 BFADLO Cc1cc([NH2+]C(C)(C)CCO)ccc1N(C)C ZINC001167741474 960393097 /nfs/dbraw/zinc/39/30/97/960393097.db2.gz GSVRUSHGBINHGL-UHFFFAOYSA-N 1 2 236.359 2.634 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ncco2)c1 ZINC001141005977 960804852 /nfs/dbraw/zinc/80/48/52/960804852.db2.gz YXLRPFREQHDQSL-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ncco2)c1 ZINC001141005977 960804853 /nfs/dbraw/zinc/80/48/53/960804853.db2.gz YXLRPFREQHDQSL-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO FC(F)[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001137596087 964673048 /nfs/dbraw/zinc/67/30/48/964673048.db2.gz BSHBVOUXNAXWOR-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001137596087 964673054 /nfs/dbraw/zinc/67/30/54/964673054.db2.gz BSHBVOUXNAXWOR-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO CN(CC(F)(F)F)c1cccc(C2CC2)[nH+]1 ZINC001163710407 965526800 /nfs/dbraw/zinc/52/68/00/965526800.db2.gz ICBVUEJYQLGZKK-UHFFFAOYSA-N 1 2 230.233 2.958 20 0 BFADLO O=C1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001203798076 966785712 /nfs/dbraw/zinc/78/57/12/966785712.db2.gz XBFCLAWYOLRPEV-UHFFFAOYSA-N 1 2 237.730 2.895 20 0 BFADLO O=C1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC001203798076 966785726 /nfs/dbraw/zinc/78/57/26/966785726.db2.gz XBFCLAWYOLRPEV-UHFFFAOYSA-N 1 2 237.730 2.895 20 0 BFADLO COc1cc[nH+]cc1N[C@@H](C)C(C)(C)C ZINC001168685289 967329566 /nfs/dbraw/zinc/32/95/66/967329566.db2.gz YVTUAUWLXRESMJ-VIFPVBQESA-N 1 2 208.305 2.937 20 0 BFADLO Cc1sccc1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205852044 967852969 /nfs/dbraw/zinc/85/29/69/967852969.db2.gz DRGCUNQJNMQFAR-MFKMUULPSA-N 1 2 238.400 2.616 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)s1 ZINC001207058983 968591745 /nfs/dbraw/zinc/59/17/45/968591745.db2.gz QKUBHLCBMJNOKM-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)s1 ZINC001207058983 968591750 /nfs/dbraw/zinc/59/17/50/968591750.db2.gz QKUBHLCBMJNOKM-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001207133468 968649465 /nfs/dbraw/zinc/64/94/65/968649465.db2.gz OFIRXMPBHFJPPZ-NWDGAFQWSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001207133468 968649474 /nfs/dbraw/zinc/64/94/74/968649474.db2.gz OFIRXMPBHFJPPZ-NWDGAFQWSA-N 1 2 244.285 2.563 20 0 BFADLO C[C@@H](CCCC(C)(C)O)CC[NH+]1CC(C)(F)C1 ZINC001207635063 968851475 /nfs/dbraw/zinc/85/14/75/968851475.db2.gz HHOUUBOLLZBPRP-LBPRGKRZSA-N 1 2 245.382 2.998 20 0 BFADLO CC/C=C\CCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001208135108 969035192 /nfs/dbraw/zinc/03/51/92/969035192.db2.gz XNMWXTXAKAHNHQ-VSQXVHSFSA-N 1 2 227.323 2.736 20 0 BFADLO CC/C=C\CCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001208135108 969035208 /nfs/dbraw/zinc/03/52/08/969035208.db2.gz XNMWXTXAKAHNHQ-VSQXVHSFSA-N 1 2 227.323 2.736 20 0 BFADLO CCCc1nnc([C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001253983079 969439353 /nfs/dbraw/zinc/43/93/53/969439353.db2.gz OOEXNANXRMCJGD-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CCCc1nnc([C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001253983079 969439363 /nfs/dbraw/zinc/43/93/63/969439363.db2.gz OOEXNANXRMCJGD-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO C[C@H]1C[C@H]1C[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425558 969490512 /nfs/dbraw/zinc/49/05/12/969490512.db2.gz FQKVZFOGDHKHQW-IUCAKERBSA-N 1 2 222.719 2.707 20 0 BFADLO C[C@H]1C[C@H]1C[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425558 969490517 /nfs/dbraw/zinc/49/05/17/969490517.db2.gz FQKVZFOGDHKHQW-IUCAKERBSA-N 1 2 222.719 2.707 20 0 BFADLO Cc1cc(Cl)c(C)c(N[C@@H](C)CCO)[nH+]1 ZINC001156446840 969896432 /nfs/dbraw/zinc/89/64/32/969896432.db2.gz LXVJLHDXSHBACL-ZETCQYMHSA-N 1 2 228.723 2.535 20 0 BFADLO FC(F)(F)C1CCC([N@@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001255522164 970283626 /nfs/dbraw/zinc/28/36/26/970283626.db2.gz MNHFYPGGIYLFDD-WFBLGPOFSA-N 1 2 249.276 2.581 20 0 BFADLO FC(F)(F)C1CCC([N@H+]2CCO[C@@H]3C[C@@H]32)CC1 ZINC001255522164 970283641 /nfs/dbraw/zinc/28/36/41/970283641.db2.gz MNHFYPGGIYLFDD-WFBLGPOFSA-N 1 2 249.276 2.581 20 0 BFADLO Cc1cc(C)c(Nc2cnccc2F)c[nH+]1 ZINC001213511102 970339596 /nfs/dbraw/zinc/33/95/96/970339596.db2.gz WGRNHVSYBPVZKI-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO C[C@@H](Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001170267224 970646943 /nfs/dbraw/zinc/64/69/43/970646943.db2.gz USPKVDAXDQUQAI-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO COc1cccc(C[C@H](C)[NH2+][C@@H]2CC2(F)F)c1 ZINC001256141249 970671145 /nfs/dbraw/zinc/67/11/45/970671145.db2.gz OSNBOOOKRNWKEK-JOYOIKCWSA-N 1 2 241.281 2.623 20 0 BFADLO CC[C@H](COc1c(C)cc[nH+]c1C)OC ZINC001227263765 975337693 /nfs/dbraw/zinc/33/76/93/975337693.db2.gz HZWFQUZHKRGZQP-LLVKDONJSA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc(F)cc(N(C)[C@@H](C)C2CC2)[nH+]1 ZINC001336970150 978087917 /nfs/dbraw/zinc/08/79/17/978087917.db2.gz HLYHDMFVMLSWPY-VIFPVBQESA-N 1 2 208.280 2.764 20 0 BFADLO Cc1cnsc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001233318104 978549350 /nfs/dbraw/zinc/54/93/50/978549350.db2.gz QAECXDYFJBEDGF-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO Cc1c(F)ccc(OC2C[NH+](C(C)C)C2)c1F ZINC001234931434 978932940 /nfs/dbraw/zinc/93/29/40/978932940.db2.gz OYQJZXBDOYZJJO-UHFFFAOYSA-N 1 2 241.281 2.745 20 0 BFADLO Clc1cnc(C[NH+]2CCC3(CC3)CC2)nc1 ZINC001235405354 979038161 /nfs/dbraw/zinc/03/81/61/979038161.db2.gz HGERLIOHOZEUIS-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO Fc1ccnc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001238230730 980227289 /nfs/dbraw/zinc/22/72/89/980227289.db2.gz MPQZVEIJOMETFL-DTWKUNHWSA-N 1 2 240.709 2.858 20 0 BFADLO Fc1ccnc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001238230730 980227299 /nfs/dbraw/zinc/22/72/99/980227299.db2.gz MPQZVEIJOMETFL-DTWKUNHWSA-N 1 2 240.709 2.858 20 0 BFADLO CCOc1cc(F)c(F)cc1C[NH+]1CC(C)C1 ZINC001238652085 980305882 /nfs/dbraw/zinc/30/58/82/980305882.db2.gz LSJKUYJWTYYFBV-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCOc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]1C ZINC001238652449 980307454 /nfs/dbraw/zinc/30/74/54/980307454.db2.gz PQEOQAXFYPHKKU-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]1C ZINC001238652449 980307464 /nfs/dbraw/zinc/30/74/64/980307464.db2.gz PQEOQAXFYPHKKU-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1nccc(C[N@H+]2CC[C@H]2C)c1Cl ZINC001250368941 980868995 /nfs/dbraw/zinc/86/89/95/980868995.db2.gz GYHVBTBTKRNNEG-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO FC(F)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250391995 980905009 /nfs/dbraw/zinc/90/50/09/980905009.db2.gz KBMHARDEVAYEFF-UHFFFAOYSA-N 1 2 208.211 2.884 20 0 BFADLO Cc1cc(F)c(F)cc1-c1cc[nH+]c(N)c1 ZINC001241170720 982318441 /nfs/dbraw/zinc/31/84/41/982318441.db2.gz PUPVIYMZGOUYCE-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO CSc1ccc(/C(C)=C/C=C/[NH3+])cn1 ZINC001241633770 982872028 /nfs/dbraw/zinc/87/20/28/982872028.db2.gz HHYKWFQTGOYMOQ-DDEWIXKASA-N 1 2 206.314 2.679 20 0 BFADLO CC(C)OCC[C@@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001172443591 974806078 /nfs/dbraw/zinc/80/60/78/974806078.db2.gz OBMLMYOJKFCLAB-LLVKDONJSA-N 1 2 229.339 2.624 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2cccnc2)nc1 ZINC001243474008 970765723 /nfs/dbraw/zinc/76/57/23/970765723.db2.gz HKSHANCTVLUIJF-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO CCCCC[C@@H]1CCCC[N@@H+]1Cc1nnc[nH]1 ZINC001328438462 973054984 /nfs/dbraw/zinc/05/49/84/973054984.db2.gz YWSWOVMKNFUIFO-GFCCVEGCSA-N 1 2 236.363 2.740 20 0 BFADLO CCCCC[C@@H]1CCCC[N@H+]1Cc1nnc[nH]1 ZINC001328438462 973054998 /nfs/dbraw/zinc/05/49/98/973054998.db2.gz YWSWOVMKNFUIFO-GFCCVEGCSA-N 1 2 236.363 2.740 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2[nH]ccc2c1F ZINC001243475361 970771521 /nfs/dbraw/zinc/77/15/21/970771521.db2.gz WTZDNQIHRNFWKM-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001256368715 970778738 /nfs/dbraw/zinc/77/87/38/970778738.db2.gz CRWAWIIBMGYJFV-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001256368715 970778740 /nfs/dbraw/zinc/77/87/40/970778740.db2.gz CRWAWIIBMGYJFV-GHMZBOCLSA-N 1 2 235.318 2.513 20 0 BFADLO CCC[C@@H]1CCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001329324783 973679889 /nfs/dbraw/zinc/67/98/89/973679889.db2.gz XLXSSRGZTPYJPO-GHMZBOCLSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)Cc1nnc(-c2cccc3[nH+]ccn32)o1 ZINC001256426374 970832651 /nfs/dbraw/zinc/83/26/51/970832651.db2.gz NIUPNYCTJRWXTC-UHFFFAOYSA-N 1 2 242.282 2.583 20 0 BFADLO Cc1c(F)cncc1Nc1cccc2[nH+]ccn21 ZINC001216190797 970973444 /nfs/dbraw/zinc/97/34/44/970973444.db2.gz QQTJPMMHBXELLZ-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CC1(F)C[NH+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256812068 970990676 /nfs/dbraw/zinc/99/06/76/970990676.db2.gz QUCRWGSZTQMDLD-KGLIPLIRSA-N 1 2 249.329 2.951 20 0 BFADLO C[NH+](C)C1(c2nnc(CC3CCCCC3)o2)CC1 ZINC001257026024 971069021 /nfs/dbraw/zinc/06/90/21/971069021.db2.gz SYGOFGFLGMSSDB-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO Brc1cscc1C[NH+]1CCC1 ZINC000307743435 971176474 /nfs/dbraw/zinc/17/64/74/971176474.db2.gz MDHJOVGDPCVECY-UHFFFAOYSA-N 1 2 232.146 2.716 20 0 BFADLO CCC(CC)[N@H+]1Cc2nc(C)sc2C1 ZINC001257301943 971189644 /nfs/dbraw/zinc/18/96/44/971189644.db2.gz OTURIPPCMNLQGK-UHFFFAOYSA-N 1 2 210.346 2.956 20 0 BFADLO CCC(CC)[N@@H+]1Cc2nc(C)sc2C1 ZINC001257301943 971189648 /nfs/dbraw/zinc/18/96/48/971189648.db2.gz OTURIPPCMNLQGK-UHFFFAOYSA-N 1 2 210.346 2.956 20 0 BFADLO CCC[C@@H](C)[NH2+]CC(=O)OCc1ccccc1 ZINC001257307443 971195923 /nfs/dbraw/zinc/19/59/23/971195923.db2.gz MLNGMLQHIXVKST-GFCCVEGCSA-N 1 2 235.327 2.508 20 0 BFADLO CCCC[C@H](CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001257425184 971323164 /nfs/dbraw/zinc/32/31/64/971323164.db2.gz LUNPJIQYISRAGE-WDEREUQCSA-N 1 2 215.312 2.568 20 0 BFADLO CCCC[C@H](CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001257425184 971323167 /nfs/dbraw/zinc/32/31/67/971323167.db2.gz LUNPJIQYISRAGE-WDEREUQCSA-N 1 2 215.312 2.568 20 0 BFADLO CC[C@@H](C)[NH+]1CC(Oc2ccccc2F)C1 ZINC001257444523 971358117 /nfs/dbraw/zinc/35/81/17/971358117.db2.gz WETKJODGWCIWOZ-SNVBAGLBSA-N 1 2 223.291 2.687 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485469 971407376 /nfs/dbraw/zinc/40/73/76/971407376.db2.gz MRUWDZOUJPKTBL-VOAKCMCISA-N 1 2 239.359 2.591 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485469 971407383 /nfs/dbraw/zinc/40/73/83/971407383.db2.gz MRUWDZOUJPKTBL-VOAKCMCISA-N 1 2 239.359 2.591 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257510654 971430884 /nfs/dbraw/zinc/43/08/84/971430884.db2.gz FCTCLASAWZILNM-WOPDTQHZSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(=O)OC ZINC001257510654 971430890 /nfs/dbraw/zinc/43/08/90/971430890.db2.gz FCTCLASAWZILNM-WOPDTQHZSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001257512227 971434463 /nfs/dbraw/zinc/43/44/63/971434463.db2.gz LPEXORKDABBDQR-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@H](C)[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001257512227 971434468 /nfs/dbraw/zinc/43/44/68/971434468.db2.gz LPEXORKDABBDQR-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257516668 971440737 /nfs/dbraw/zinc/44/07/37/971440737.db2.gz MUMPBWFZLUUGFA-GHMZBOCLSA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257516668 971440739 /nfs/dbraw/zinc/44/07/39/971440739.db2.gz MUMPBWFZLUUGFA-GHMZBOCLSA-N 1 2 235.318 2.657 20 0 BFADLO FC1(F)C[NH2+]C[C@H](OCCC2CCCCC2)C1 ZINC001217854403 971444895 /nfs/dbraw/zinc/44/48/95/971444895.db2.gz BETRSNCGAYJTTK-GFCCVEGCSA-N 1 2 247.329 2.971 20 0 BFADLO FC1(F)CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001257668214 971469322 /nfs/dbraw/zinc/46/93/22/971469322.db2.gz OMWGTWNLZIQWSU-SECBINFHSA-N 1 2 221.316 2.613 20 0 BFADLO FC1(F)CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC001257668214 971469332 /nfs/dbraw/zinc/46/93/32/971469332.db2.gz OMWGTWNLZIQWSU-SECBINFHSA-N 1 2 221.316 2.613 20 0 BFADLO FC1(F)CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001257668215 971470393 /nfs/dbraw/zinc/47/03/93/971470393.db2.gz OMWGTWNLZIQWSU-VIFPVBQESA-N 1 2 221.316 2.613 20 0 BFADLO FC1(F)CCC[N@H+]([C@H]2CCCSC2)C1 ZINC001257668215 971470395 /nfs/dbraw/zinc/47/03/95/971470395.db2.gz OMWGTWNLZIQWSU-VIFPVBQESA-N 1 2 221.316 2.613 20 0 BFADLO CC(C)(C)Cc1nnc([C@H]2CC3CC[NH+]2CC3)o1 ZINC001257831174 971498377 /nfs/dbraw/zinc/49/83/77/971498377.db2.gz XVFROBKTOZHDHR-LLVKDONJSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CCC[NH2+]CC1 ZINC001217996454 971565096 /nfs/dbraw/zinc/56/50/96/971565096.db2.gz HZQYFLKHYQRIDE-LLVKDONJSA-N 1 2 237.368 2.805 20 0 BFADLO Cc1ccc(C)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218004941 971569195 /nfs/dbraw/zinc/56/91/95/971569195.db2.gz HVPGMKIJDFMNOW-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1ccc(F)cc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218006158 971567884 /nfs/dbraw/zinc/56/78/84/971567884.db2.gz KJALHUCVLKRTMW-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO C=Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218010661 971568386 /nfs/dbraw/zinc/56/83/86/971568386.db2.gz QXQFFXLBCJRJBK-LBPRGKRZSA-N 1 2 239.265 2.706 20 0 BFADLO Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1C ZINC001218005546 971570780 /nfs/dbraw/zinc/57/07/80/971570780.db2.gz LLLBZXXGRLBABT-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1S ZINC001218028626 971578557 /nfs/dbraw/zinc/57/85/57/971578557.db2.gz VOAVEOMVGWOJRD-MNOVXSKESA-N 1 2 237.368 2.742 20 0 BFADLO Sc1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1 ZINC001218090713 971596691 /nfs/dbraw/zinc/59/66/91/971596691.db2.gz CKNSKGJTUHDOPZ-ZIAGYGMSSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cc(F)ccc1O[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218273212 971668286 /nfs/dbraw/zinc/66/82/86/971668286.db2.gz PUYHLUYJMCTNSD-SNVBAGLBSA-N 1 2 245.244 2.510 20 0 BFADLO Nc1cc[nH+]c(O[C@H]2CCC=CCCC2)c1 ZINC001218302888 971698461 /nfs/dbraw/zinc/69/84/61/971698461.db2.gz JYYAPUZILGFGDB-LBPRGKRZSA-N 1 2 218.300 2.932 20 0 BFADLO c1cn2ccc(NCOc3ccccc3)cc2[nH+]1 ZINC001170803052 971852533 /nfs/dbraw/zinc/85/25/33/971852533.db2.gz BCRGUOJOANCSSF-UHFFFAOYSA-N 1 2 239.278 2.783 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCOC[C@H]2C)c1C ZINC001170821584 971908858 /nfs/dbraw/zinc/90/88/58/971908858.db2.gz YGYKFQCCFVKLNH-PWSUYJOCSA-N 1 2 220.316 2.535 20 0 BFADLO CC[C@@H](C)OCC[C@@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172338977 974604566 /nfs/dbraw/zinc/60/45/66/974604566.db2.gz NISGVJWYODFRBX-DDHJBXDOSA-N 1 2 235.318 2.572 20 0 BFADLO C[C@H](C[N@@H+]1CCC[C@H](F)C(=O)C1)c1ccccc1 ZINC001207899488 956879381 /nfs/dbraw/zinc/87/93/81/956879381.db2.gz BZLUYJHYOKLZOQ-OCCSQVGLSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@H](C[N@H+]1CCC[C@H](F)C(=O)C1)c1ccccc1 ZINC001207899488 956879386 /nfs/dbraw/zinc/87/93/86/956879386.db2.gz BZLUYJHYOKLZOQ-OCCSQVGLSA-N 1 2 249.329 2.793 20 0 BFADLO Cc1cc(C)c(Nc2c(Cl)cnn2C)c[nH+]1 ZINC001213507690 957025287 /nfs/dbraw/zinc/02/52/87/957025287.db2.gz BESIYQNIROVTJV-UHFFFAOYSA-N 1 2 236.706 2.829 20 0 BFADLO Cc1cnc(F)c(Nc2cccn3cc[nH+]c23)c1 ZINC001211496084 957057368 /nfs/dbraw/zinc/05/73/68/957057368.db2.gz MFXRITWBXZVOGD-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@H](C)C2)cc(C)c1F ZINC001143374463 957060525 /nfs/dbraw/zinc/06/05/25/957060525.db2.gz YQOJXGXBFLBURG-GFCCVEGCSA-N 1 2 237.318 2.663 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cnc1F ZINC001211496126 957059426 /nfs/dbraw/zinc/05/94/26/957059426.db2.gz NZOZZDGAVGNEJQ-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc(Nc2cc(C)cnc2F)cc(C)[nH+]1 ZINC001211500210 957065339 /nfs/dbraw/zinc/06/53/39/957065339.db2.gz PBZKVNHNEDCROT-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CC(=O)CC(C)(C)Nc1[nH+]ccc(F)c1C ZINC001160299360 972258264 /nfs/dbraw/zinc/25/82/64/972258264.db2.gz BBYHHPLVMHIABD-UHFFFAOYSA-N 1 2 224.279 2.699 20 0 BFADLO CC(C)c1nnc(Nc2ccc3[nH]c[nH+]c3c2)o1 ZINC001209841362 957543087 /nfs/dbraw/zinc/54/30/87/957543087.db2.gz KZEHWPPBOJYMLK-UHFFFAOYSA-N 1 2 243.270 2.813 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001204507559 957757033 /nfs/dbraw/zinc/75/70/33/957757033.db2.gz FUUMSVKHGXYBNB-SNVBAGLBSA-N 1 2 235.302 2.688 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001204507559 957757036 /nfs/dbraw/zinc/75/70/36/957757036.db2.gz FUUMSVKHGXYBNB-SNVBAGLBSA-N 1 2 235.302 2.688 20 0 BFADLO Cc1ccc(O)c(Nc2cccc([C@@H](C)O)c2)[nH+]1 ZINC001210503973 957768134 /nfs/dbraw/zinc/76/81/34/957768134.db2.gz RNJKTGOLVKUERI-SNVBAGLBSA-N 1 2 244.294 2.893 20 0 BFADLO Cc1cn2c(cccc2Nc2cnoc2C)[nH+]1 ZINC001210577009 957801092 /nfs/dbraw/zinc/80/10/92/957801092.db2.gz YVVGDHICHYOSIE-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1c[nH]c(=O)c(F)c1 ZINC001210600627 957823189 /nfs/dbraw/zinc/82/31/89/957823189.db2.gz UDPXVQFSZCJSQU-UHFFFAOYSA-N 1 2 247.273 2.936 20 0 BFADLO CCCn1nccc1Nc1cccn2cc[nH+]c12 ZINC001210914201 957938339 /nfs/dbraw/zinc/93/83/39/957938339.db2.gz NVMFNKDTRVLPOO-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO Cc1ccc(Nc2ccc(F)cc2CO)[nH+]c1 ZINC001211012315 957986403 /nfs/dbraw/zinc/98/64/03/957986403.db2.gz GLOAPMGJFPOILD-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)oc1C ZINC001204535650 957994070 /nfs/dbraw/zinc/99/40/70/957994070.db2.gz WLSOIGUDUHMVPP-UHFFFAOYSA-N 1 2 230.311 2.714 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3C2)oc1C ZINC001204535650 957994078 /nfs/dbraw/zinc/99/40/78/957994078.db2.gz WLSOIGUDUHMVPP-UHFFFAOYSA-N 1 2 230.311 2.714 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@H]2C)c(Cl)n1 ZINC000706747878 958179032 /nfs/dbraw/zinc/17/90/32/958179032.db2.gz HBMDFJJDESOAMF-VIFPVBQESA-N 1 2 210.708 2.638 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@H]2C)c(Cl)n1 ZINC000706747878 958179044 /nfs/dbraw/zinc/17/90/44/958179044.db2.gz HBMDFJJDESOAMF-VIFPVBQESA-N 1 2 210.708 2.638 20 0 BFADLO Cc1cncnc1Nc1c[nH+]cc(C)c1C ZINC001213528656 958226891 /nfs/dbraw/zinc/22/68/91/958226891.db2.gz KEUOFPVQWCHNAI-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO COc1cccc(Nc2[nH+]cccc2N)c1C ZINC001215796792 958317628 /nfs/dbraw/zinc/31/76/28/958317628.db2.gz CPPJERPEPYCCOJ-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1cc(NC(=O)C(F)=C2CCCC2)c(C)c[nH+]1 ZINC001266899677 958558692 /nfs/dbraw/zinc/55/86/92/958558692.db2.gz LYXCJFMUPVNEGA-UHFFFAOYSA-N 1 2 248.301 2.856 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@@H](OCCn2cc[nH+]c2)C1 ZINC001222135188 972373582 /nfs/dbraw/zinc/37/35/82/972373582.db2.gz XMPCABYXIGEAFP-AGIUHOORSA-N 1 2 222.332 2.724 20 0 BFADLO CC(C)[N@H+](C)Cc1csc(Cl)n1 ZINC000306654710 958754983 /nfs/dbraw/zinc/75/49/83/958754983.db2.gz WOKGRYHNQZCQKN-UHFFFAOYSA-N 1 2 204.726 2.637 20 0 BFADLO CC(C)[N@@H+](C)Cc1csc(Cl)n1 ZINC000306654710 958754987 /nfs/dbraw/zinc/75/49/87/958754987.db2.gz WOKGRYHNQZCQKN-UHFFFAOYSA-N 1 2 204.726 2.637 20 0 BFADLO C[C@@H]1CC(OCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC001222134478 972381237 /nfs/dbraw/zinc/38/12/37/972381237.db2.gz DHNJUFIUBJQLAU-RYUDHWBXSA-N 1 2 222.332 2.724 20 0 BFADLO CC[C@@H]1CCCC[C@H]1OCCn1cc[nH+]c1 ZINC001222135169 972382126 /nfs/dbraw/zinc/38/21/26/972382126.db2.gz XAVGBINCCQPYSL-CHWSQXEVSA-N 1 2 222.332 2.869 20 0 BFADLO C[C@H]1CC(OCCn2cc[nH+]c2)C[C@H](C)C1 ZINC001222134479 972385082 /nfs/dbraw/zinc/38/50/82/972385082.db2.gz DHNJUFIUBJQLAU-VXGBXAGGSA-N 1 2 222.332 2.724 20 0 BFADLO Cc1cnc(F)c([C@@H](C)OCCn2cc[nH+]c2)c1 ZINC001222138486 972386569 /nfs/dbraw/zinc/38/65/69/972386569.db2.gz FPHLDLIPONUVTM-LLVKDONJSA-N 1 2 249.289 2.503 20 0 BFADLO Nc1cc(CNc2cccc3c2CC=C3)cc[nH+]1 ZINC001167616228 959075618 /nfs/dbraw/zinc/07/56/18/959075618.db2.gz ANSKDRFKMKLEOC-UHFFFAOYSA-N 1 2 237.306 2.845 20 0 BFADLO Cc1ccc(C)c(NCc2cc[nH+]c(N)c2)c1 ZINC001167617556 959093595 /nfs/dbraw/zinc/09/35/95/959093595.db2.gz PFUYFHRXYZNBQI-UHFFFAOYSA-N 1 2 227.311 2.893 20 0 BFADLO c1ccc(NCCC2SCCS2)[nH+]c1 ZINC000693815737 959396983 /nfs/dbraw/zinc/39/69/83/959396983.db2.gz SPDYKBOTYVHIGU-UHFFFAOYSA-N 1 2 226.370 2.690 20 0 BFADLO C[NH+](C)Cc1c(Cl)ccc(F)c1F ZINC001143946727 972423008 /nfs/dbraw/zinc/42/30/08/972423008.db2.gz WCHANISELSDWDJ-UHFFFAOYSA-N 1 2 205.635 2.680 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@H](C)[C@@H]1C ZINC000405638885 959480221 /nfs/dbraw/zinc/48/02/21/959480221.db2.gz VEHVKSYTLQBHSZ-YWPYICTPSA-N 1 2 248.370 2.896 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CCC2)n1)[C@@H](C)O ZINC001352052565 959788218 /nfs/dbraw/zinc/78/82/18/959788218.db2.gz QSLHFSDSHZSMAN-ZYHUDNBSSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1c(F)cccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218005728 959826224 /nfs/dbraw/zinc/82/62/24/959826224.db2.gz GCGFGDNIWPSMPA-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO Cc1c(F)cccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218005726 959826919 /nfs/dbraw/zinc/82/69/19/959826919.db2.gz GCGFGDNIWPSMPA-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000180248823 959903654 /nfs/dbraw/zinc/90/36/54/959903654.db2.gz CXFAKQPYRXUWLT-NSHDSACASA-N 1 2 234.343 2.973 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)C1(Cl)CC1 ZINC000695687414 960371647 /nfs/dbraw/zinc/37/16/47/960371647.db2.gz YGDSTZWCEGNONB-SFYZADRCSA-N 1 2 223.694 2.924 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)c(F)c1 ZINC001141191279 960447886 /nfs/dbraw/zinc/44/78/86/960447886.db2.gz HYZGBXPQJAUHKO-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC(C)(C)C2)c(F)c1 ZINC001141191279 960447893 /nfs/dbraw/zinc/44/78/93/960447893.db2.gz HYZGBXPQJAUHKO-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Fc1cnc(Cl)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001140605768 960453604 /nfs/dbraw/zinc/45/36/04/960453604.db2.gz LBCHSDKZYWQAIA-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cnc(Cl)cc1C[N@H+]1CCC2(CC2)C1 ZINC001140605768 960453611 /nfs/dbraw/zinc/45/36/11/960453611.db2.gz LBCHSDKZYWQAIA-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1cc[nH]c1)C2 ZINC001140707259 960522192 /nfs/dbraw/zinc/52/21/92/960522192.db2.gz FUUROPMPADORAG-UHFFFAOYSA-N 1 2 216.259 2.670 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1cc[nH]c1)C2 ZINC001140707259 960522209 /nfs/dbraw/zinc/52/22/09/960522209.db2.gz FUUROPMPADORAG-UHFFFAOYSA-N 1 2 216.259 2.670 20 0 BFADLO Cc1cc(F)ccc1C[NH+]1CC2(C1)CCCCO2 ZINC001140779648 960565370 /nfs/dbraw/zinc/56/53/70/960565370.db2.gz VCFGCIVHPYBFLV-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cn1c[nH+]cc1CO[C@H]1CCC=CCCC1 ZINC001222595111 960722470 /nfs/dbraw/zinc/72/24/70/960722470.db2.gz OVMSLPFVHGXYGB-ZDUSSCGKSA-N 1 2 220.316 2.826 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncco2)Cc2ccccc21 ZINC001141005059 960803002 /nfs/dbraw/zinc/80/30/02/960803002.db2.gz RUQIYPSBQMXNBP-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncco2)Cc2ccccc21 ZINC001141005059 960803005 /nfs/dbraw/zinc/80/30/05/960803005.db2.gz RUQIYPSBQMXNBP-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ncco1 ZINC001141010740 960811070 /nfs/dbraw/zinc/81/10/70/960811070.db2.gz GOZRYVMWFKVSAZ-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ncco1 ZINC001141010740 960811076 /nfs/dbraw/zinc/81/10/76/960811076.db2.gz GOZRYVMWFKVSAZ-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO CC[N@H+](Cc1ncco1)Cc1ccc(F)cc1 ZINC001141010664 960814373 /nfs/dbraw/zinc/81/43/73/960814373.db2.gz CCZIYZAKPGMHAQ-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1ncco1)Cc1ccc(F)cc1 ZINC001141010664 960814382 /nfs/dbraw/zinc/81/43/82/960814382.db2.gz CCZIYZAKPGMHAQ-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC(C)(C)c1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001141103705 960868864 /nfs/dbraw/zinc/86/88/64/960868864.db2.gz HKLRNEWCYYTKHS-GASCZTMLSA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001141103705 960868868 /nfs/dbraw/zinc/86/88/68/960868868.db2.gz HKLRNEWCYYTKHS-GASCZTMLSA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)[N@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141132076 960882442 /nfs/dbraw/zinc/88/24/42/960882442.db2.gz SMMVDJNZYICKHR-UHFFFAOYSA-N 1 2 234.130 2.624 20 0 BFADLO CC(C)[N@@H+](C)Cc1ncc(Cl)nc1Cl ZINC001141132076 960882452 /nfs/dbraw/zinc/88/24/52/960882452.db2.gz SMMVDJNZYICKHR-UHFFFAOYSA-N 1 2 234.130 2.624 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1F ZINC001141198120 960939959 /nfs/dbraw/zinc/93/99/59/960939959.db2.gz VUQIASWOZJACIF-AWEZNQCLSA-N 1 2 235.302 2.688 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1F ZINC001141198120 960940013 /nfs/dbraw/zinc/94/00/13/960940013.db2.gz VUQIASWOZJACIF-AWEZNQCLSA-N 1 2 235.302 2.688 20 0 BFADLO CC[C@@H](F)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001141525087 961088613 /nfs/dbraw/zinc/08/86/13/961088613.db2.gz CGXDNJBAVFPPLC-SNVBAGLBSA-N 1 2 247.273 2.559 20 0 BFADLO COc1c(F)cccc1C[N@@H+]1CCC[C@H](F)C1 ZINC001143530488 961301662 /nfs/dbraw/zinc/30/16/62/961301662.db2.gz YSFOXELKIWTRSS-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1c(F)cccc1C[N@H+]1CCC[C@H](F)C1 ZINC001143530488 961301671 /nfs/dbraw/zinc/30/16/71/961301671.db2.gz YSFOXELKIWTRSS-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CC(C)(C)c1nc[nH]c1C[N@@H+]1CCC[C@H](F)C1 ZINC001142226725 961355199 /nfs/dbraw/zinc/35/51/99/961355199.db2.gz OCUXYQQHTGZKAF-JTQLQIEISA-N 1 2 239.338 2.641 20 0 BFADLO CC(C)(C)c1nc[nH]c1C[N@H+]1CCC[C@H](F)C1 ZINC001142226725 961355218 /nfs/dbraw/zinc/35/52/18/961355218.db2.gz OCUXYQQHTGZKAF-JTQLQIEISA-N 1 2 239.338 2.641 20 0 BFADLO CCCOCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001167872918 961382831 /nfs/dbraw/zinc/38/28/31/961382831.db2.gz WCJVABCCVKCZFY-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO COc1cc([NH2+]CC2(C)CCC2)ccc1N ZINC000234970760 961653120 /nfs/dbraw/zinc/65/31/20/961653120.db2.gz PKZLUNKAQAMWKB-UHFFFAOYSA-N 1 2 220.316 2.880 20 0 BFADLO Cc1nc(NC2(CO)CCCC2)cc(C(C)C)[nH+]1 ZINC000709821163 961676045 /nfs/dbraw/zinc/67/60/45/961676045.db2.gz NRHIJEAHLFIWHU-UHFFFAOYSA-N 1 2 249.358 2.625 20 0 BFADLO c1ccc2c(c1)COC[C@H]2Oc1cc[nH+]cc1 ZINC001225291798 962053661 /nfs/dbraw/zinc/05/36/61/962053661.db2.gz YPPGPWHMPQGERB-CQSZACIVSA-N 1 2 227.263 2.732 20 0 BFADLO CO[C@@H](CNc1ccc([NH+](C)C)cc1)C1CC1 ZINC000400115658 962244210 /nfs/dbraw/zinc/24/42/10/962244210.db2.gz IJEVPIOWZNLLBJ-AWEZNQCLSA-N 1 2 234.343 2.590 20 0 BFADLO Brc1ccc(C[NH+]2CC=CC2)s1 ZINC000133388105 962611859 /nfs/dbraw/zinc/61/18/59/962611859.db2.gz YMMGEYKUZKEDPL-UHFFFAOYSA-N 1 2 244.157 2.882 20 0 BFADLO CCC(CC)CNC(=O)c1cccc2[nH+]ccn21 ZINC001154518293 962785127 /nfs/dbraw/zinc/78/51/27/962785127.db2.gz XADITXFUZFHUHO-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO Cc1oncc1CNc1cc(C(C)C)[nH+]c(C)n1 ZINC001154880628 962881728 /nfs/dbraw/zinc/88/17/28/962881728.db2.gz JVMPCNBEHUNCPV-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO CC(C)[NH+]1CC(Oc2cc(F)c(F)c(F)c2)C1 ZINC001225910477 962907017 /nfs/dbraw/zinc/90/70/17/962907017.db2.gz BQOKNUTVUWPUBZ-UHFFFAOYSA-N 1 2 245.244 2.575 20 0 BFADLO CC(C)C[NH2+]c1ccc2c(c1)NCCO2 ZINC001161647222 962994621 /nfs/dbraw/zinc/99/46/21/962994621.db2.gz PNZNSMXHKZTJJE-UHFFFAOYSA-N 1 2 206.289 2.559 20 0 BFADLO CC(C)CNc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001161647190 962995350 /nfs/dbraw/zinc/99/53/50/962995350.db2.gz OBHAYKSWNIYQEW-UHFFFAOYSA-N 1 2 244.342 2.764 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cc(OCC2CC2)ncn1 ZINC001155180196 963006067 /nfs/dbraw/zinc/00/60/67/963006067.db2.gz LJQAOOUSNKKUEH-UHFFFAOYSA-N 1 2 248.330 2.701 20 0 BFADLO COc1ccc(C)nc1NC(=[NH2+])C(C)(C)C ZINC001155181137 963006604 /nfs/dbraw/zinc/00/66/04/963006604.db2.gz JFYDDVUGEQPFOB-UHFFFAOYSA-N 1 2 221.304 2.834 20 0 BFADLO CCCN(CCC)c1[nH+]ccc(C)c1NC(C)=O ZINC001155182104 963012598 /nfs/dbraw/zinc/01/25/98/963012598.db2.gz HCRVEPABCDQAFT-UHFFFAOYSA-N 1 2 249.358 2.975 20 0 BFADLO Cc1ccc(CNc2[nH+]ccc(F)c2C)cn1 ZINC001155314973 963046868 /nfs/dbraw/zinc/04/68/68/963046868.db2.gz QOZDNAYDUWVTJJ-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CC(C)(O)C=CNc1ccccc1-n1cc[nH+]c1 ZINC001203217043 963144993 /nfs/dbraw/zinc/14/49/93/963144993.db2.gz BNPJEYSNACKZFE-BQYQJAHWSA-N 1 2 243.310 2.569 20 0 BFADLO CC[C@@H](C)Nc1nc(N(C)C)c2ccccc2[nH+]1 ZINC001167998789 963207470 /nfs/dbraw/zinc/20/74/70/963207470.db2.gz KLVJWLGBWFAEBA-SNVBAGLBSA-N 1 2 244.342 2.906 20 0 BFADLO CC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167999241 963210219 /nfs/dbraw/zinc/21/02/19/963210219.db2.gz NMADIDSPJDRVAE-NSHDSACASA-N 1 2 230.315 2.537 20 0 BFADLO Cc1cc(F)cc(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001143586151 963230859 /nfs/dbraw/zinc/23/08/59/963230859.db2.gz SNGJVTZITVNSQL-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1cc(F)cc(C[N@H+]2CCCC(=O)CC2)c1 ZINC001143586151 963230871 /nfs/dbraw/zinc/23/08/71/963230871.db2.gz SNGJVTZITVNSQL-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO CSc1cc[nH+]c(NC[C@@H]2CCCCO2)c1 ZINC001156378320 963326513 /nfs/dbraw/zinc/32/65/13/963326513.db2.gz WJYCQJZLKWXZOA-JTQLQIEISA-N 1 2 238.356 2.785 20 0 BFADLO C=Cc1ccc(NCC(C)(C)OC)[nH+]c1 ZINC001156439321 963346005 /nfs/dbraw/zinc/34/60/05/963346005.db2.gz QQMJYSYQZXHZEE-UHFFFAOYSA-N 1 2 206.289 2.562 20 0 BFADLO Cc1cc(NC2CC(=O)C2)[nH+]c2ccccc12 ZINC001156616636 963413046 /nfs/dbraw/zinc/41/30/46/963413046.db2.gz NEUSIIGQFVXQGD-UHFFFAOYSA-N 1 2 226.279 2.687 20 0 BFADLO Cc1cc(NCc2cc[nH+]c(N)c2)ncc1Cl ZINC001156755699 963453612 /nfs/dbraw/zinc/45/36/12/963453612.db2.gz IVTPTHSXXLUIEN-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CSc1cc[nH+]c(NCc2ccc(=O)[nH]c2)c1 ZINC001157517973 963640465 /nfs/dbraw/zinc/64/04/65/963640465.db2.gz IENFWTGQUAVNQQ-UHFFFAOYSA-N 1 2 247.323 2.516 20 0 BFADLO Cc1cc(Cl)c(C)c(NC2CSC2)[nH+]1 ZINC001157576924 963668139 /nfs/dbraw/zinc/66/81/39/963668139.db2.gz VIUXJPMIRPOZSP-UHFFFAOYSA-N 1 2 228.748 2.879 20 0 BFADLO CSc1cc[nH+]c(NC[C@@H]2CC(C)(C)O2)c1 ZINC001157660957 963694588 /nfs/dbraw/zinc/69/45/88/963694588.db2.gz OWAMPEWOSIKVDY-VIFPVBQESA-N 1 2 238.356 2.783 20 0 BFADLO CCSc1cc[nH+]c(N[C@H]2CCCOC2)c1 ZINC001158721371 963909384 /nfs/dbraw/zinc/90/93/84/963909384.db2.gz SNANBEFCTPZBQL-JTQLQIEISA-N 1 2 238.356 2.785 20 0 BFADLO COc1cc(C)c[nH+]c1NCCc1cncs1 ZINC001158886475 963952321 /nfs/dbraw/zinc/95/23/21/963952321.db2.gz QASBZWFVHYIFST-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO COc1c[nH+]c(NC[C@H]2C[C@H](F)C2)c2[nH]ccc21 ZINC001168232733 964020467 /nfs/dbraw/zinc/02/04/67/964020467.db2.gz AUHSPSZWRGWBKO-KYZUINATSA-N 1 2 249.289 2.732 20 0 BFADLO Cc1cc(C)c(Nc2cc(N)nc[nH+]2)cc1C ZINC001159225373 964024884 /nfs/dbraw/zinc/02/48/84/964024884.db2.gz YFVYMPYIUZXHFR-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Nc1ccc(Nc2ccc3c(c2)CCCN3)c[nH+]1 ZINC001159281425 964052517 /nfs/dbraw/zinc/05/25/17/964052517.db2.gz YOYBLZVCTYGQGK-UHFFFAOYSA-N 1 2 240.310 2.766 20 0 BFADLO Cc1nc(NCOc2ccccc2)c(C)c(C)[nH+]1 ZINC001159706450 964156583 /nfs/dbraw/zinc/15/65/83/964156583.db2.gz VTKDBEVLBWXBJK-UHFFFAOYSA-N 1 2 243.310 2.850 20 0 BFADLO Clc1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212093065 964252158 /nfs/dbraw/zinc/25/21/58/964252158.db2.gz DNCHHIGOXQJBJU-UHFFFAOYSA-N 1 2 249.701 2.596 20 0 BFADLO CN(c1ccc(N)c(Cl)c1)c1[nH+]cccc1N ZINC001212103333 964278027 /nfs/dbraw/zinc/27/80/27/964278027.db2.gz SSRQYVXYVAHMQD-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)CCO2 ZINC000697592191 964331415 /nfs/dbraw/zinc/33/14/15/964331415.db2.gz QYDSNQYNYWNAFU-SECBINFHSA-N 1 2 241.281 2.927 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCC[C@@H](C)CO ZINC001160602146 964349343 /nfs/dbraw/zinc/34/93/43/964349343.db2.gz DPIHQSUNKUXCCP-LLVKDONJSA-N 1 2 244.338 2.974 20 0 BFADLO Fc1cc(Nc2cccc3[nH+]c[nH]c32)ccn1 ZINC001213026975 964418203 /nfs/dbraw/zinc/41/82/03/964418203.db2.gz BMXITQJHTLYLKD-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO c1cn2cccc(Nc3cccc4[nH]cnc43)c2[nH+]1 ZINC001213026949 964418435 /nfs/dbraw/zinc/41/84/35/964418435.db2.gz ASEAXSCTADANAN-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1ncnc(C)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213027991 964453716 /nfs/dbraw/zinc/45/37/16/964453716.db2.gz DIWPSFGRADGPGN-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1c(F)cc[nH+]c1NCc1cncn1C(C)C ZINC001161565736 964643815 /nfs/dbraw/zinc/64/38/15/964643815.db2.gz UMYFMEBQULYONA-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO Cc1ccnc(NCc2c[nH+]cn2C(C)C)c1F ZINC001161565282 964644605 /nfs/dbraw/zinc/64/46/05/964644605.db2.gz KSGVSADRODERRK-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1cscn1 ZINC000697892697 964647928 /nfs/dbraw/zinc/64/79/28/964647928.db2.gz OYUJXAGELBLBCN-MWLCHTKSSA-N 1 2 245.351 2.876 20 0 BFADLO CSc1cc(NCC(C)C)nc(C)[nH+]1 ZINC001161645202 964659221 /nfs/dbraw/zinc/65/92/21/964659221.db2.gz UMXZUYUIRKLIDQ-UHFFFAOYSA-N 1 2 211.334 2.575 20 0 BFADLO c1cn(CCCNc2ccc3ocnc3c2)c[nH+]1 ZINC001161684857 964682851 /nfs/dbraw/zinc/68/28/51/964682851.db2.gz SYLMKRQTCLUUJT-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO CNc1cccc(NCCCn2cc[nH+]c2)c1C ZINC001161689247 964687394 /nfs/dbraw/zinc/68/73/94/964687394.db2.gz LQSOECWIAUIPLY-UHFFFAOYSA-N 1 2 244.342 2.735 20 0 BFADLO CSc1cc[nH+]c(N[C@H]2CCO[C@@H](C)C2)c1 ZINC001161694876 964691886 /nfs/dbraw/zinc/69/18/86/964691886.db2.gz AODPOMYFRKCVMP-UWVGGRQHSA-N 1 2 238.356 2.783 20 0 BFADLO c1nocc1CCNc1cc2ccccc2c[nH+]1 ZINC001161698154 964693822 /nfs/dbraw/zinc/69/38/22/964693822.db2.gz HWWRKFONWQWFSF-UHFFFAOYSA-N 1 2 239.278 2.877 20 0 BFADLO c1cn2ccc(NC3Cc4ccccc4C3)cc2[nH+]1 ZINC001161758384 964738748 /nfs/dbraw/zinc/73/87/48/964738748.db2.gz VUGQQCXAZZZJBX-UHFFFAOYSA-N 1 2 249.317 2.914 20 0 BFADLO FC(F)CNc1cc(-c2ccncc2)cc[nH+]1 ZINC001161809474 964764721 /nfs/dbraw/zinc/76/47/21/964764721.db2.gz ISVXXCLDHPPYFX-UHFFFAOYSA-N 1 2 235.237 2.821 20 0 BFADLO CC(C)COc1cc(NC2CSC2)cc[nH+]1 ZINC001168367200 964811005 /nfs/dbraw/zinc/81/10/05/964811005.db2.gz JYBHMIQEJOOISD-UHFFFAOYSA-N 1 2 238.356 2.644 20 0 BFADLO Cc1cc[nH+]c(C)c1NCC(C)(F)F ZINC001162232887 964886311 /nfs/dbraw/zinc/88/63/11/964886311.db2.gz JAFFQZHFWATKAD-UHFFFAOYSA-N 1 2 200.232 2.766 20 0 BFADLO Nc1[nH+]ccc(F)c1NC[C@@H]1CCC(F)(F)C1 ZINC001162648535 965087847 /nfs/dbraw/zinc/08/78/47/965087847.db2.gz QIZANCGJFLGJGE-SSDOTTSWSA-N 1 2 245.248 2.650 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cncnc1C(F)(F)F ZINC001162664957 965101320 /nfs/dbraw/zinc/10/13/20/965101320.db2.gz YRHXPKRPJKOBCB-UHFFFAOYSA-N 1 2 246.236 2.931 20 0 BFADLO COc1ccc([NH2+]CC2CC(=O)C2)c2[nH]ccc21 ZINC001168393362 965129591 /nfs/dbraw/zinc/12/95/91/965129591.db2.gz XHNSKRUDEDLMJB-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO Cc1nn(C)c(C)c1CNc1c[nH+]cc(C)c1C ZINC001162884602 965197196 /nfs/dbraw/zinc/19/71/96/965197196.db2.gz JBKJQHQTHRSOIU-UHFFFAOYSA-N 1 2 244.342 2.661 20 0 BFADLO COc1c[nH+]c(N[C@@H](C)c2ccno2)c(C)c1 ZINC001163209161 965303047 /nfs/dbraw/zinc/30/30/47/965303047.db2.gz WUDOJPVBZGJDSL-VIFPVBQESA-N 1 2 233.271 2.560 20 0 BFADLO OC[C@H]1CCCCN1c1cc2ccccc2c[nH+]1 ZINC001163551669 965448409 /nfs/dbraw/zinc/44/84/09/965448409.db2.gz MGBZVMVDHHDZLM-CQSZACIVSA-N 1 2 242.322 2.586 20 0 BFADLO Clc1cncc(C[NH+]2CC3(C2)CCCC3)n1 ZINC001233447024 965502020 /nfs/dbraw/zinc/50/20/20/965502020.db2.gz QOTKPRFGHOINKQ-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO CNc1ccc(Nc2ncccc2Cl)c[nH+]1 ZINC001203450056 965528357 /nfs/dbraw/zinc/52/83/57/965528357.db2.gz QEMFXRXKQLAMRM-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO COCC1CN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001163729850 965545547 /nfs/dbraw/zinc/54/55/47/965545547.db2.gz BEBNHHLSFOVBKB-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO CN(c1cc(N)cc(Cl)[nH+]1)C1CC(F)(F)C1 ZINC001163766641 965573358 /nfs/dbraw/zinc/57/33/58/965573358.db2.gz WQVAXBZRVFFRBC-UHFFFAOYSA-N 1 2 247.676 2.551 20 0 BFADLO COc1cc(C)c[nH+]c1N(C)C1CC(F)(F)C1 ZINC001163768378 965573724 /nfs/dbraw/zinc/57/37/24/965573724.db2.gz PNVKHHUAHPRKGH-UHFFFAOYSA-N 1 2 242.269 2.633 20 0 BFADLO CSCCCNc1ccc2[nH+]cn(C)c2c1 ZINC001163874952 965613449 /nfs/dbraw/zinc/61/34/49/965613449.db2.gz PSHSADQSGFJULL-UHFFFAOYSA-N 1 2 235.356 2.738 20 0 BFADLO C[C@@H]1CN(c2ccc(C(C)(C)C)c[nH+]2)CCCO1 ZINC001163967428 965665916 /nfs/dbraw/zinc/66/59/16/965665916.db2.gz YAJGQMUDSVJNQD-GFCCVEGCSA-N 1 2 248.370 2.994 20 0 BFADLO FC1(C2CC2)CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001163972583 965668291 /nfs/dbraw/zinc/66/82/91/965668291.db2.gz UPLDXDAXXBSOHQ-UHFFFAOYSA-N 1 2 232.302 2.897 20 0 BFADLO c1ccc2cc(N3Cc4cncnc4C3)[nH+]cc2c1 ZINC001163983829 965678767 /nfs/dbraw/zinc/67/87/67/965678767.db2.gz GZNMVXWEETVPPT-UHFFFAOYSA-N 1 2 248.289 2.545 20 0 BFADLO CC1(Nc2cc(C3(C)OCCO3)cc[nH+]2)CCC1 ZINC001164030109 965701953 /nfs/dbraw/zinc/70/19/53/965701953.db2.gz OVSZGAALZCHERP-UHFFFAOYSA-N 1 2 248.326 2.656 20 0 BFADLO Cc1cc(N(C)C2CC(C)C2)nc(C2CC2)[nH+]1 ZINC001164199720 965792889 /nfs/dbraw/zinc/79/28/89/965792889.db2.gz TVWHQGDPUHHBSM-UHFFFAOYSA-N 1 2 231.343 2.897 20 0 BFADLO CCc1nc(N2C[C@@H](C)C[C@H]2CF)cc(C)[nH+]1 ZINC001164261000 965814473 /nfs/dbraw/zinc/81/44/73/965814473.db2.gz VGPYREXKWBQZBX-ONGXEEELSA-N 1 2 237.322 2.532 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC[C@](C)(F)[C@@H](F)C1 ZINC001164334496 965850994 /nfs/dbraw/zinc/85/09/94/965850994.db2.gz SWARMLUUXDLWOX-JQWIXIFHSA-N 1 2 244.260 2.806 20 0 BFADLO Cc1cc2cc(NCCn3cccc3)[nH+]cc2[nH]1 ZINC001164442585 965885315 /nfs/dbraw/zinc/88/53/15/965885315.db2.gz FKDOHYKEKBCLNW-UHFFFAOYSA-N 1 2 240.310 2.785 20 0 BFADLO Cc1c[nH+]cc(NCCn2cccc2)c1C ZINC001164452707 965887409 /nfs/dbraw/zinc/88/74/09/965887409.db2.gz WRRSHVFBHSATCH-UHFFFAOYSA-N 1 2 215.300 2.612 20 0 BFADLO CCc1ccc(C[N@@H+]2CCCCC23COC3)o1 ZINC001204393527 965950678 /nfs/dbraw/zinc/95/06/78/965950678.db2.gz ZQJZFMJSXJEUNU-UHFFFAOYSA-N 1 2 235.327 2.597 20 0 BFADLO CCc1ccc(C[N@H+]2CCCCC23COC3)o1 ZINC001204393527 965950685 /nfs/dbraw/zinc/95/06/85/965950685.db2.gz ZQJZFMJSXJEUNU-UHFFFAOYSA-N 1 2 235.327 2.597 20 0 BFADLO CN(c1cccc(C2CC2)[nH+]1)[C@H]1CC[C@H](O)CC1 ZINC001165226623 965990879 /nfs/dbraw/zinc/99/08/79/965990879.db2.gz NJKBLYPAMDPURM-JOCQHMNTSA-N 1 2 246.354 2.699 20 0 BFADLO CC(C)c1ccc(N2CC[C@@]3(CCOC3)C2)[nH+]c1 ZINC001165255934 966014158 /nfs/dbraw/zinc/01/41/58/966014158.db2.gz YSYABYIBHLOFFV-OAHLLOKOSA-N 1 2 246.354 2.822 20 0 BFADLO CC(C)(C)SCCNc1cc[nH+]cc1F ZINC000699645334 966022779 /nfs/dbraw/zinc/02/27/79/966022779.db2.gz CNMROHXLXKIMNU-UHFFFAOYSA-N 1 2 228.336 2.586 20 0 BFADLO CNc1ccc(Nc2cn3ccccc3n2)c[nH+]1 ZINC001203453233 966059315 /nfs/dbraw/zinc/05/93/15/966059315.db2.gz ZHCCGQLMOCBLME-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO CC(C)c1ccc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)[nH+]c1 ZINC001165366464 966066028 /nfs/dbraw/zinc/06/60/28/966066028.db2.gz BIXUXSFPEQGBCP-RWMBFGLXSA-N 1 2 234.318 2.999 20 0 BFADLO COC(C)(C)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001165830249 966168087 /nfs/dbraw/zinc/16/80/87/966168087.db2.gz PTKZQJOXIPGMIW-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1ccc2cc(N[C@H](C)CCO)[nH+]cc2c1 ZINC001165869278 966188005 /nfs/dbraw/zinc/18/80/05/966188005.db2.gz YFLSKDNVMXBPIN-LLVKDONJSA-N 1 2 230.311 2.726 20 0 BFADLO COCC(C)(C)Nc1cc[nH+]c(OC(C)C)c1 ZINC001166002248 966226712 /nfs/dbraw/zinc/22/67/12/966226712.db2.gz IHHWSFPWJWPWGL-UHFFFAOYSA-N 1 2 238.331 2.706 20 0 BFADLO COCC(C)(C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC001165984040 966227865 /nfs/dbraw/zinc/22/78/65/966227865.db2.gz WUMSNJTVRZIDPM-UHFFFAOYSA-N 1 2 249.358 2.501 20 0 BFADLO CSc1cc[nH+]c(N2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001166531167 966290165 /nfs/dbraw/zinc/29/01/65/966290165.db2.gz SXFKVSKJAVVQKU-ATZCPNFKSA-N 1 2 238.331 2.740 20 0 BFADLO CC(=CC(=O)OC(C)C)Nc1[nH+]c(C)ccc1C ZINC001166728563 966380444 /nfs/dbraw/zinc/38/04/44/966380444.db2.gz ORDNWBWCUXYKDM-WQLSENKSSA-N 1 2 248.326 2.966 20 0 BFADLO CCc1ccc(N2C[C@H](C)OC3(CCC3)C2)[nH+]c1 ZINC001515853367 966397296 /nfs/dbraw/zinc/39/72/96/966397296.db2.gz RKZXLWVFGZXOOS-LBPRGKRZSA-N 1 2 246.354 2.792 20 0 BFADLO CCc1cn(Cc2ncc(Cl)s2)c[nH+]1 ZINC001166821703 966420272 /nfs/dbraw/zinc/42/02/72/966420272.db2.gz FGDHMPNLBUVQKJ-UHFFFAOYSA-N 1 2 227.720 2.604 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)o1 ZINC001236589888 966474217 /nfs/dbraw/zinc/47/42/17/966474217.db2.gz SJMTUODJLHVMBJ-RYUDHWBXSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)o1 ZINC001236589888 966474224 /nfs/dbraw/zinc/47/42/24/966474224.db2.gz SJMTUODJLHVMBJ-RYUDHWBXSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1cc(N(C)CC2COC2)[nH+]c2ccccc12 ZINC001166950394 966478741 /nfs/dbraw/zinc/47/87/41/966478741.db2.gz ULVLIBLJTOKGFJ-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO Nc1cc(Nc2cccc3[nH+]ccn32)ccc1F ZINC001212328267 966488479 /nfs/dbraw/zinc/48/84/79/966488479.db2.gz UCRHPYIHYGRNCI-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO CCc1cc(C[N@@H+]2CCCC[C@H](F)C2)on1 ZINC001203212150 966560781 /nfs/dbraw/zinc/56/07/81/966560781.db2.gz KNBWKDYFCBYING-JTQLQIEISA-N 1 2 226.295 2.561 20 0 BFADLO CCc1cc(C[N@H+]2CCCC[C@H](F)C2)on1 ZINC001203212150 966560788 /nfs/dbraw/zinc/56/07/88/966560788.db2.gz KNBWKDYFCBYING-JTQLQIEISA-N 1 2 226.295 2.561 20 0 BFADLO CCc1cc(C[N@H+](Cc2ccco2)C2CC2)on1 ZINC001203227454 966570174 /nfs/dbraw/zinc/57/01/74/966570174.db2.gz DTCQKYTWOAIVKA-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO CCc1cc(C[N@@H+](Cc2ccco2)C2CC2)on1 ZINC001203227454 966570187 /nfs/dbraw/zinc/57/01/87/966570187.db2.gz DTCQKYTWOAIVKA-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccco2)C[C@H]1F ZINC001203272227 966590812 /nfs/dbraw/zinc/59/08/12/966590812.db2.gz BKTHAUBWPNCHIP-MNOVXSKESA-N 1 2 215.243 2.552 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccco2)C[C@H]1F ZINC001203272227 966590815 /nfs/dbraw/zinc/59/08/15/966590815.db2.gz BKTHAUBWPNCHIP-MNOVXSKESA-N 1 2 215.243 2.552 20 0 BFADLO FC1(F)CSC2(C[NH+](Cc3ccco3)C2)C1 ZINC001203285995 966597924 /nfs/dbraw/zinc/59/79/24/966597924.db2.gz YJQBNBOPCATAOQ-UHFFFAOYSA-N 1 2 245.294 2.606 20 0 BFADLO Cc1ccc(Nc2noc3cnccc32)c(C)[nH+]1 ZINC001203370572 966618434 /nfs/dbraw/zinc/61/84/34/966618434.db2.gz OJOCYVCSDVEEIR-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1ccc(Nc2ccccc2CO)c(C)[nH+]1 ZINC001203373392 966619625 /nfs/dbraw/zinc/61/96/25/966619625.db2.gz MSDZSCOWWQGBQK-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CNc1ccc(Nc2cnc(OC)cc2C)c[nH+]1 ZINC001203449236 966649273 /nfs/dbraw/zinc/64/92/73/966649273.db2.gz DBBIBIVKJKHGFO-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2nc(C)c(C)s2)c[nH+]1 ZINC001203448079 966650167 /nfs/dbraw/zinc/65/01/67/966650167.db2.gz ULXRCYBGLSVXHA-UHFFFAOYSA-N 1 2 234.328 2.940 20 0 BFADLO CCOc1ccc(Nc2ccc(NC)[nH+]c2)cn1 ZINC001203449602 966652224 /nfs/dbraw/zinc/65/22/24/966652224.db2.gz KUBRPVCPULTCID-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO CNc1ccc(-n2ccc3cc(N)ccc32)c[nH+]1 ZINC001203454286 966653725 /nfs/dbraw/zinc/65/37/25/966653725.db2.gz AHJPCKPGMMRFPL-UHFFFAOYSA-N 1 2 238.294 2.649 20 0 BFADLO Cc1nn(C)c(C)c1Nc1cc(C)c[nH+]c1C ZINC001203654605 966707414 /nfs/dbraw/zinc/70/74/14/966707414.db2.gz MKZCOPQZJOKIEV-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1ccc(N)nc1F ZINC001203615044 966707515 /nfs/dbraw/zinc/70/75/15/966707515.db2.gz LABWTQJWDCGZDN-UHFFFAOYSA-N 1 2 246.289 2.812 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cc(C)nc(C)n2)c1 ZINC001203653876 966720826 /nfs/dbraw/zinc/72/08/26/966720826.db2.gz WJVDGVMUTWBLQE-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncc(O)cc2C)c1 ZINC001203654637 966722709 /nfs/dbraw/zinc/72/27/09/966722709.db2.gz OBAJUUXKBLKHJA-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncc(F)cc2O)c1 ZINC001203658061 966726493 /nfs/dbraw/zinc/72/64/93/966726493.db2.gz VQQRGRPVJJBKTN-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccccc2CO)c1 ZINC001203660839 966726601 /nfs/dbraw/zinc/72/66/01/966726601.db2.gz PDLGUPLZTSPJKM-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cc([C@@H](C)O)ccn2)c1 ZINC001203660088 966727042 /nfs/dbraw/zinc/72/70/42/966727042.db2.gz BKJCFGCTRCWDGK-LLVKDONJSA-N 1 2 243.310 2.890 20 0 BFADLO COc1cc(Nc2cc(C)c[nH+]c2C)c(F)cn1 ZINC001203658137 966727262 /nfs/dbraw/zinc/72/72/62/966727262.db2.gz XPEBOZMVXJOQRP-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(C(N)=O)cc2)c1 ZINC001203661269 966730004 /nfs/dbraw/zinc/73/00/04/966730004.db2.gz UBBOAQZEWUJLOQ-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cc([C@H](C)O)ccn2)c1 ZINC001203660089 966730131 /nfs/dbraw/zinc/73/01/31/966730131.db2.gz BKJCFGCTRCWDGK-NSHDSACASA-N 1 2 243.310 2.890 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(C3CC3)c2)C[C@H](C)O1 ZINC001238188314 966730588 /nfs/dbraw/zinc/73/05/88/966730588.db2.gz USZZHBWBDNLLOY-TXEJJXNPSA-N 1 2 246.354 2.568 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(C3CC3)c2)C[C@H](C)O1 ZINC001238188314 966730601 /nfs/dbraw/zinc/73/06/01/966730601.db2.gz USZZHBWBDNLLOY-TXEJJXNPSA-N 1 2 246.354 2.568 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)cc1F ZINC001203790840 966777910 /nfs/dbraw/zinc/77/79/10/966777910.db2.gz UJUULZDEJMZZJH-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)cc1F ZINC001203790840 966777916 /nfs/dbraw/zinc/77/79/16/966777916.db2.gz UJUULZDEJMZZJH-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C[NH+]2CC(OC(C)C)C2)cc1C ZINC001203899250 966815970 /nfs/dbraw/zinc/81/59/70/966815970.db2.gz MGBMUGSVOHCBFE-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO CC(C)n1ccc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001239067633 966819973 /nfs/dbraw/zinc/81/99/73/966819973.db2.gz CVHWPVMSXMDUBZ-UHFFFAOYSA-N 1 2 240.310 2.966 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(OCC)cc2)C1 ZINC001203967339 966833538 /nfs/dbraw/zinc/83/35/38/966833538.db2.gz IQYDNYQGSILZPK-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1ccc(CO)nc1 ZINC001212376781 966953951 /nfs/dbraw/zinc/95/39/51/966953951.db2.gz JLPDAXPITHSYDC-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO c1cn(-c2ccc(-c3ccncc3)cc2)c[nH+]1 ZINC001239609547 967042772 /nfs/dbraw/zinc/04/27/72/967042772.db2.gz GGROIOPHYQTNMB-UHFFFAOYSA-N 1 2 221.263 2.934 20 0 BFADLO Cc1ccc(Nc2ccc(C)cc2CO)[nH+]c1 ZINC001214448977 967056016 /nfs/dbraw/zinc/05/60/16/967056016.db2.gz MJUIBSPUUIQUIY-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CNc1ccc(CC(=O)c2ccc(C)cc2)c[nH+]1 ZINC001249908361 967145572 /nfs/dbraw/zinc/14/55/72/967145572.db2.gz MFQRVWTUJMABLH-UHFFFAOYSA-N 1 2 240.306 2.857 20 0 BFADLO COc1ccc(-c2ccc(C)c(N)[nH+]2)c(C)c1 ZINC001239825301 967221634 /nfs/dbraw/zinc/22/16/34/967221634.db2.gz AVAGNRRMJBJSPB-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(F)c1 ZINC001204899819 967226127 /nfs/dbraw/zinc/22/61/27/967226127.db2.gz LMMRNDPUTYCGAY-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c(F)c1 ZINC001204899819 967226130 /nfs/dbraw/zinc/22/61/30/967226130.db2.gz LMMRNDPUTYCGAY-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO Clc1cncc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204950670 967251681 /nfs/dbraw/zinc/25/16/81/967251681.db2.gz DRCSDFYFZKFSMY-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Oc1cc(F)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204978308 967271806 /nfs/dbraw/zinc/27/18/06/967271806.db2.gz RYANDMLAXNGFKX-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Nc1ccc(CCC(=O)c2ccc(F)cc2)c[nH+]1 ZINC001250026827 967279841 /nfs/dbraw/zinc/27/98/41/967279841.db2.gz YSQBCCLDDPYLFN-UHFFFAOYSA-N 1 2 244.269 2.618 20 0 BFADLO CN(c1ccn2cc[nH+]c2c1)c1cccc(N)c1 ZINC001204998409 967280972 /nfs/dbraw/zinc/28/09/72/967280972.db2.gz YTBKSZYHJRPVTL-UHFFFAOYSA-N 1 2 238.294 2.684 20 0 BFADLO Cc1[nH]c2ccc(C[C@@H]3CCCO3)cc2[nH+]1 ZINC001250106983 967386040 /nfs/dbraw/zinc/38/60/40/967386040.db2.gz YHCWHMCFFBLDQZ-NSHDSACASA-N 1 2 216.284 2.593 20 0 BFADLO COc1cc[nH+]cc1CC(=O)c1ccc(F)cc1 ZINC001250135022 967418635 /nfs/dbraw/zinc/41/86/35/967418635.db2.gz RKHGGCFVTMHXDR-UHFFFAOYSA-N 1 2 245.253 2.655 20 0 BFADLO COc1ccc(F)nc1-c1ccc2[nH+]ccn2c1 ZINC001240221900 967432138 /nfs/dbraw/zinc/43/21/38/967432138.db2.gz YTVWZSFVEMBSKZ-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1cn2c(cccc2-c2csc(CO)c2)[nH+]1 ZINC001205290292 967482359 /nfs/dbraw/zinc/48/23/59/967482359.db2.gz JLMXLUNSJIPMSQ-UHFFFAOYSA-N 1 2 244.319 2.864 20 0 BFADLO Cc1cc(-c2ccc(F)c3n[nH]cc32)c[nH+]c1N ZINC001205349583 967568455 /nfs/dbraw/zinc/56/84/55/967568455.db2.gz RYOUDJAZQQUCNW-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC001205358914 967586581 /nfs/dbraw/zinc/58/65/81/967586581.db2.gz KZGCGCYAJZFLCB-JTQLQIEISA-N 1 2 243.759 2.955 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1sccc1Cl ZINC001205358914 967586595 /nfs/dbraw/zinc/58/65/95/967586595.db2.gz KZGCGCYAJZFLCB-JTQLQIEISA-N 1 2 243.759 2.955 20 0 BFADLO COc1ccc(Cc2ccn3cc[nH+]c3c2)cc1 ZINC001250285008 967615571 /nfs/dbraw/zinc/61/55/71/967615571.db2.gz GFXMHBRECMQXOF-UHFFFAOYSA-N 1 2 238.290 2.934 20 0 BFADLO CC(C)OCCNc1ccc(-n2cccc2)c[nH+]1 ZINC001161789358 967649411 /nfs/dbraw/zinc/64/94/11/967649411.db2.gz PNBVHMOWTKVYNY-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO c1cn(CCc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC001250315842 967677664 /nfs/dbraw/zinc/67/76/64/967677664.db2.gz SSZRYNCPWDGPKJ-UHFFFAOYSA-N 1 2 241.338 2.726 20 0 BFADLO Cn1cc(CCn2cc[nH+]c2)c2ccccc21 ZINC001250316357 967681731 /nfs/dbraw/zinc/68/17/31/967681731.db2.gz KZFCNYJHPWWHPG-UHFFFAOYSA-N 1 2 225.295 2.618 20 0 BFADLO CCOc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250316689 967683685 /nfs/dbraw/zinc/68/36/85/967683685.db2.gz SRROCXIRVAGUGV-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO Fc1cc(CCn2cc[nH+]c2)cc(F)c1F ZINC001250316619 967685796 /nfs/dbraw/zinc/68/57/96/967685796.db2.gz PFUYULMUXYPMDQ-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO Cc1c(F)cc(CCn2cc[nH+]c2)cc1F ZINC001250318988 967693636 /nfs/dbraw/zinc/69/36/36/967693636.db2.gz OSEPVKDULFBARJ-UHFFFAOYSA-N 1 2 222.238 2.712 20 0 BFADLO c1cn(CCc2cc3ccccc3[nH]2)c[nH+]1 ZINC001250318921 967694261 /nfs/dbraw/zinc/69/42/61/967694261.db2.gz MGZADANHDGBPRU-UHFFFAOYSA-N 1 2 211.268 2.607 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2ccoc21 ZINC001205560908 967694421 /nfs/dbraw/zinc/69/44/21/967694421.db2.gz GDJLDKSVGAVMNR-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2ccoc21 ZINC001205560908 967694427 /nfs/dbraw/zinc/69/44/27/967694427.db2.gz GDJLDKSVGAVMNR-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO c1cn(CCc2ccccc2N2CCCC2)c[nH+]1 ZINC001250319511 967695277 /nfs/dbraw/zinc/69/52/77/967695277.db2.gz SRKLHUOAJCDAHW-UHFFFAOYSA-N 1 2 241.338 2.726 20 0 BFADLO CSc1cccc(F)c1CCn1cc[nH+]c1 ZINC001250321233 967698755 /nfs/dbraw/zinc/69/87/55/967698755.db2.gz YLTNJAPFFSHDEZ-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO CSc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250321230 967699343 /nfs/dbraw/zinc/69/93/43/967699343.db2.gz YIBGVZIPCMCOAK-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO COc1cc(C)c(CCn2cc[nH+]c2)c(C)c1 ZINC001250320921 967700066 /nfs/dbraw/zinc/70/00/66/967700066.db2.gz SUMPXLOZPJXVJQ-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO Cc1ncc(CNc2ccn3cc[nH+]c3c2)s1 ZINC001162159753 967706753 /nfs/dbraw/zinc/70/67/53/967706753.db2.gz NLXCDQZQCTXTFV-UHFFFAOYSA-N 1 2 244.323 2.711 20 0 BFADLO Cc1cc(CCC(=O)OC(C)(C)C)cc(C)[nH+]1 ZINC001250329023 967715264 /nfs/dbraw/zinc/71/52/64/967715264.db2.gz CTKFKXCCWRNNOI-UHFFFAOYSA-N 1 2 235.327 2.973 20 0 BFADLO Cc1nc(NC2CC(F)C2)c2c([nH+]1)CCCC2 ZINC001162210445 967743440 /nfs/dbraw/zinc/74/34/40/967743440.db2.gz ZQNKWJQVMSQKQU-UHFFFAOYSA-N 1 2 235.306 2.576 20 0 BFADLO FC1CC(Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC001162212545 967743471 /nfs/dbraw/zinc/74/34/71/967743471.db2.gz PPYTVLKVBBWUHN-UHFFFAOYSA-N 1 2 235.306 2.594 20 0 BFADLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cnoc1 ZINC001205724800 967802551 /nfs/dbraw/zinc/80/25/51/967802551.db2.gz ZJVIDBOXUYKBBJ-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cnoc1 ZINC001205724800 967802554 /nfs/dbraw/zinc/80/25/54/967802554.db2.gz ZJVIDBOXUYKBBJ-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2cc(O)ccc2c1 ZINC001205738218 967807684 /nfs/dbraw/zinc/80/76/84/967807684.db2.gz UNFXEQJYIAOIAQ-UHFFFAOYSA-N 1 2 224.263 2.946 20 0 BFADLO Cc1cccnc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001205770572 967816961 /nfs/dbraw/zinc/81/69/61/967816961.db2.gz MDMVLPFMDOUMJX-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccnc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001205770572 967816962 /nfs/dbraw/zinc/81/69/62/967816962.db2.gz MDMVLPFMDOUMJX-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO CN(C)c1ccc2[nH]c(CC(F)(F)F)[nH+]c2c1 ZINC001250428608 967841828 /nfs/dbraw/zinc/84/18/28/967841828.db2.gz HKHYQYOCFXKJMN-UHFFFAOYSA-N 1 2 243.232 2.734 20 0 BFADLO Cc1cccc2[nH+]c(CC3CCOCC3)[nH]c21 ZINC001250433163 967851409 /nfs/dbraw/zinc/85/14/09/967851409.db2.gz HGIRPGTZHOBHBH-UHFFFAOYSA-N 1 2 230.311 2.840 20 0 BFADLO Cc1cccc2[nH]c(CC3CCOCC3)[nH+]c21 ZINC001250433163 967851411 /nfs/dbraw/zinc/85/14/11/967851411.db2.gz HGIRPGTZHOBHBH-UHFFFAOYSA-N 1 2 230.311 2.840 20 0 BFADLO Cc1sccc1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205852044 967852968 /nfs/dbraw/zinc/85/29/68/967852968.db2.gz DRGCUNQJNMQFAR-MFKMUULPSA-N 1 2 238.400 2.616 20 0 BFADLO Cc1sccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205851983 967854395 /nfs/dbraw/zinc/85/43/95/967854395.db2.gz DRGCUNQJNMQFAR-GXFFZTMASA-N 1 2 238.400 2.616 20 0 BFADLO Cc1sccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205851983 967854396 /nfs/dbraw/zinc/85/43/96/967854396.db2.gz DRGCUNQJNMQFAR-GXFFZTMASA-N 1 2 238.400 2.616 20 0 BFADLO CN(C)c1ccc(Nc2cccc(O)c2F)c[nH+]1 ZINC001212545889 967858514 /nfs/dbraw/zinc/85/85/14/967858514.db2.gz UWTIBMZOKPKFDG-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Cc1cccnc1-c1ccn2cc[nH+]c2c1 ZINC001250470128 967892398 /nfs/dbraw/zinc/89/23/98/967892398.db2.gz JPIVWKJQKRSHAH-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccccn1 ZINC001250515463 968012642 /nfs/dbraw/zinc/01/26/42/968012642.db2.gz PNCWFIOKYYJEMV-UHFFFAOYSA-N 1 2 213.284 2.518 20 0 BFADLO CCN(C)c1cc(C)[nH+]c(C(C)(C)C)n1 ZINC001163583685 968074716 /nfs/dbraw/zinc/07/47/16/968074716.db2.gz SIEVUNAHGPKXCA-UHFFFAOYSA-N 1 2 207.321 2.539 20 0 BFADLO c1ccc(C[NH+]2CC(OCC3CCC3)C2)cc1 ZINC001206166973 968103907 /nfs/dbraw/zinc/10/39/07/968103907.db2.gz ZEQZVLKCSZVOTM-UHFFFAOYSA-N 1 2 231.339 2.688 20 0 BFADLO Nc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001163879541 968130286 /nfs/dbraw/zinc/13/02/86/968130286.db2.gz FIRSDCLHXFGWGG-UHFFFAOYSA-N 1 2 238.294 2.757 20 0 BFADLO Cc1cc(O)cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001206210836 968139459 /nfs/dbraw/zinc/13/94/59/968139459.db2.gz DWAFTINESFXYFZ-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO COCCCc1[nH]c2cc3c(cc2[nH+]1)CCC3 ZINC001250602737 968146826 /nfs/dbraw/zinc/14/68/26/968146826.db2.gz LDWWJTXTTDCSBY-UHFFFAOYSA-N 1 2 230.311 2.631 20 0 BFADLO Cc1ccc(-c2nc3cc(F)ccc3[nH]2)c(N)[nH+]1 ZINC001250981503 968234541 /nfs/dbraw/zinc/23/45/41/968234541.db2.gz GHNKTAZWRWVGOT-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1c[nH+]c(Nc2ccc[nH]c2=O)c(C)c1 ZINC001206430165 968300073 /nfs/dbraw/zinc/30/00/73/968300073.db2.gz BIRFQMNHUDMTIS-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO COc1cnccc1C[NH+]1Cc2ccccc2C1 ZINC001206438891 968308738 /nfs/dbraw/zinc/30/87/38/968308738.db2.gz WXQPKAWXGVALPV-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO C[C@H](O)CNc1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001251955099 968393114 /nfs/dbraw/zinc/39/31/14/968393114.db2.gz OZRJKUXXLSHRNZ-JTQLQIEISA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(N2CC3(CCO3)C2)[nH+]c2ccccc12 ZINC001166941252 968401772 /nfs/dbraw/zinc/40/17/72/968401772.db2.gz LOIZJANEYZENQP-UHFFFAOYSA-N 1 2 240.306 2.522 20 0 BFADLO Cc1cccc(Nc2cc(O)cc(F)c2)[nH+]1 ZINC001206754907 968457308 /nfs/dbraw/zinc/45/73/08/968457308.db2.gz RJZPKFRPHZIQNJ-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Oc1cc(F)c(-c2[nH+]ccc3c2CCN3)cc1F ZINC001206761172 968461163 /nfs/dbraw/zinc/46/11/63/968461163.db2.gz KCESHWHMINKHEH-UHFFFAOYSA-N 1 2 248.232 2.700 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)no1 ZINC001206816043 968484367 /nfs/dbraw/zinc/48/43/67/968484367.db2.gz ACWRRQHIJBHTPX-JTQLQIEISA-N 1 2 248.248 2.552 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)no1 ZINC001206816043 968484371 /nfs/dbraw/zinc/48/43/71/968484371.db2.gz ACWRRQHIJBHTPX-JTQLQIEISA-N 1 2 248.248 2.552 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001206847970 968500897 /nfs/dbraw/zinc/50/08/97/968500897.db2.gz XVHHRGALGCWWNO-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001206847970 968500900 /nfs/dbraw/zinc/50/09/00/968500900.db2.gz XVHHRGALGCWWNO-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001206847969 968501080 /nfs/dbraw/zinc/50/10/80/968501080.db2.gz XVHHRGALGCWWNO-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001206847969 968501095 /nfs/dbraw/zinc/50/10/95/968501095.db2.gz XVHHRGALGCWWNO-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO CCCC[C@@H](O)CNc1c[nH+]c(C)cc1C ZINC001252081917 968502304 /nfs/dbraw/zinc/50/23/04/968502304.db2.gz SQTQTQPRFAPTLQ-GFCCVEGCSA-N 1 2 222.332 2.661 20 0 BFADLO CC1CC([N@H+](C)Cc2c(F)cncc2F)C1 ZINC001206855869 968504846 /nfs/dbraw/zinc/50/48/46/968504846.db2.gz NSKCFALXYPMYFG-UHFFFAOYSA-N 1 2 226.270 2.590 20 0 BFADLO CC1CC([N@@H+](C)Cc2c(F)cncc2F)C1 ZINC001206855869 968504851 /nfs/dbraw/zinc/50/48/51/968504851.db2.gz NSKCFALXYPMYFG-UHFFFAOYSA-N 1 2 226.270 2.590 20 0 BFADLO Fc1cccnc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001207026484 968560279 /nfs/dbraw/zinc/56/02/79/968560279.db2.gz KVJIJVFEQHSFNU-SNVBAGLBSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cccnc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001207026484 968560287 /nfs/dbraw/zinc/56/02/87/968560287.db2.gz KVJIJVFEQHSFNU-SNVBAGLBSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCCC[N@H+](Cc2ncccc2F)C1 ZINC001207028332 968560988 /nfs/dbraw/zinc/56/09/88/968560988.db2.gz HCDMGSPXZKTLAE-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@]1(F)CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001207028332 968560997 /nfs/dbraw/zinc/56/09/97/968560997.db2.gz HCDMGSPXZKTLAE-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO Fc1cccnc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001207033482 968564409 /nfs/dbraw/zinc/56/44/09/968564409.db2.gz VGDJDOQFFFPEBL-QMMMGPOBSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cccnc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001207033482 968564414 /nfs/dbraw/zinc/56/44/14/968564414.db2.gz VGDJDOQFFFPEBL-QMMMGPOBSA-N 1 2 248.223 2.605 20 0 BFADLO CC1(C)CCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207052022 968577401 /nfs/dbraw/zinc/57/74/01/968577401.db2.gz WFMRUSBDEMLSJF-UHFFFAOYSA-N 1 2 229.327 2.566 20 0 BFADLO Cc1c[nH]c2ncc(-c3ccc[nH+]c3N)cc12 ZINC001240957942 968828201 /nfs/dbraw/zinc/82/82/01/968828201.db2.gz YZWDFOXMCQPRJB-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1ccc(O)cc1 ZINC001241064643 968886307 /nfs/dbraw/zinc/88/63/07/968886307.db2.gz VINUSMXGVLZXSZ-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO C[C@H](C[N@H+]1C[C@@H](F)[C@@H](F)C1)c1ccccc1 ZINC001207903196 968924388 /nfs/dbraw/zinc/92/43/88/968924388.db2.gz DLDXTRBRIVSCJC-RTXFEEFZSA-N 1 2 225.282 2.782 20 0 BFADLO C[C@H](C[N@@H+]1C[C@@H](F)[C@@H](F)C1)c1ccccc1 ZINC001207903196 968924399 /nfs/dbraw/zinc/92/43/99/968924399.db2.gz DLDXTRBRIVSCJC-RTXFEEFZSA-N 1 2 225.282 2.782 20 0 BFADLO Nc1cc(-c2ccccc2-c2ncco2)cc[nH+]1 ZINC001241163640 968942162 /nfs/dbraw/zinc/94/21/62/968942162.db2.gz XPXZFDNJHYYEJA-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO O=C1C[N@@H+](CCCC2CCCC2)CCC[C@@H]1F ZINC001208087425 968989865 /nfs/dbraw/zinc/98/98/65/968989865.db2.gz KDYNYVNJZTWYKM-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1C[N@H+](CCCC2CCCC2)CCC[C@@H]1F ZINC001208087425 968989867 /nfs/dbraw/zinc/98/98/67/968989867.db2.gz KDYNYVNJZTWYKM-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO Cn1cc2cccc(-c3ccn4cc[nH+]c4c3)c2n1 ZINC001241467895 969004807 /nfs/dbraw/zinc/00/48/07/969004807.db2.gz SFINZROGBPVBAG-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CS[C@@H](C)CC[N@@H+]1CCCC(F)(F)C1 ZINC001208141086 969063104 /nfs/dbraw/zinc/06/31/04/969063104.db2.gz YPQWSQSSSSAPEG-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CS[C@@H](C)CC[N@H+]1CCCC(F)(F)C1 ZINC001208141086 969063116 /nfs/dbraw/zinc/06/31/16/969063116.db2.gz YPQWSQSSSSAPEG-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO c1cn2ccc(-c3cccc4c[nH]nc43)cc2[nH+]1 ZINC001241621576 969071025 /nfs/dbraw/zinc/07/10/25/969071025.db2.gz PRKGZVPJVORDIU-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO C[C@H](c1nnc(-c2ccccc2)o1)n1cc[nH+]c1 ZINC001253066697 969073782 /nfs/dbraw/zinc/07/37/82/969073782.db2.gz SMNZVWGJILQDNV-SNVBAGLBSA-N 1 2 240.266 2.542 20 0 BFADLO COC(=O)[C@H]([NH3+])c1ccc(C2=CCCCC2)cc1 ZINC001241718670 969100411 /nfs/dbraw/zinc/10/04/11/969100411.db2.gz RGYGOEZGAHWSDY-CQSZACIVSA-N 1 2 245.322 2.817 20 0 BFADLO C[N@H+](Cc1ccon1)[C@H]1CCc2c1cccc2F ZINC001253346060 969138220 /nfs/dbraw/zinc/13/82/20/969138220.db2.gz HQBOYFMEZSIFBH-AWEZNQCLSA-N 1 2 246.285 2.933 20 0 BFADLO C[N@@H+](Cc1ccon1)[C@H]1CCc2c1cccc2F ZINC001253346060 969138224 /nfs/dbraw/zinc/13/82/24/969138224.db2.gz HQBOYFMEZSIFBH-AWEZNQCLSA-N 1 2 246.285 2.933 20 0 BFADLO c1cn2c(cccc2-c2cnn(C3CC3)c2)[nH+]1 ZINC001241906637 969141251 /nfs/dbraw/zinc/14/12/51/969141251.db2.gz LRSREXQQRHBOPT-UHFFFAOYSA-N 1 2 224.267 2.533 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ccc2nc[nH]c2c1 ZINC001242083703 969202640 /nfs/dbraw/zinc/20/26/40/969202640.db2.gz DSHINMFKQGBMDY-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCCCC[C@@H](O)C[N@H+](C)Cc1cscn1 ZINC001253535621 969206748 /nfs/dbraw/zinc/20/67/48/969206748.db2.gz MVNFTZUUPHSWCU-GFCCVEGCSA-N 1 2 242.388 2.516 20 0 BFADLO CCCCC[C@@H](O)C[N@@H+](C)Cc1cscn1 ZINC001253535621 969206753 /nfs/dbraw/zinc/20/67/53/969206753.db2.gz MVNFTZUUPHSWCU-GFCCVEGCSA-N 1 2 242.388 2.516 20 0 BFADLO CN(C)c1ccc(NCCC2CCC2)[nH+]c1 ZINC001168889935 969250799 /nfs/dbraw/zinc/25/07/99/969250799.db2.gz YQIDAOUGCSQLNC-UHFFFAOYSA-N 1 2 219.332 2.750 20 0 BFADLO C[N@H+]1CC=C(Nc2ccc(S)cc2)CC1 ZINC001208843398 969257706 /nfs/dbraw/zinc/25/77/06/969257706.db2.gz BBSQABFHUNXOTL-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO C[N@@H+]1CC=C(Nc2ccc(S)cc2)CC1 ZINC001208843398 969257716 /nfs/dbraw/zinc/25/77/16/969257716.db2.gz BBSQABFHUNXOTL-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO CCCCOC1C[NH+](C[C@H](C)C(F)(F)F)C1 ZINC001208893564 969280626 /nfs/dbraw/zinc/28/06/26/969280626.db2.gz KUPYUBIQHRUCIJ-VIFPVBQESA-N 1 2 239.281 2.686 20 0 BFADLO CCC(=O)C(C)(C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001208918709 969305161 /nfs/dbraw/zinc/30/51/61/969305161.db2.gz QQKLWSAFHNXZQK-SNVBAGLBSA-N 1 2 247.329 2.969 20 0 BFADLO CCC(=O)C(C)(C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001208918709 969305167 /nfs/dbraw/zinc/30/51/67/969305167.db2.gz QQKLWSAFHNXZQK-SNVBAGLBSA-N 1 2 247.329 2.969 20 0 BFADLO Cc1ccc(NC[C@H](O)C(C)(C)C)c(C)[nH+]1 ZINC001253714279 969339156 /nfs/dbraw/zinc/33/91/56/969339156.db2.gz WJUVNZSNYIKYFA-LBPRGKRZSA-N 1 2 222.332 2.517 20 0 BFADLO Cc1cc(C)c(NC[C@@H](O)C(C)(C)C)c[nH+]1 ZINC001253717783 969343310 /nfs/dbraw/zinc/34/33/10/969343310.db2.gz OFDBKCGWFBQJSW-GFCCVEGCSA-N 1 2 222.332 2.517 20 0 BFADLO O=C1C[N@H+](C2CCC(F)(F)CC2)CCC[C@@H]1F ZINC001254218453 969543361 /nfs/dbraw/zinc/54/33/61/969543361.db2.gz HRWYELGKZIEPPJ-JTQLQIEISA-N 1 2 249.276 2.567 20 0 BFADLO O=C1C[N@@H+](C2CCC(F)(F)CC2)CCC[C@@H]1F ZINC001254218453 969543367 /nfs/dbraw/zinc/54/33/67/969543367.db2.gz HRWYELGKZIEPPJ-JTQLQIEISA-N 1 2 249.276 2.567 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)[nH]1)C2 ZINC001209574796 969557387 /nfs/dbraw/zinc/55/73/87/969557387.db2.gz VDBSPYAKOUULDN-UHFFFAOYSA-N 1 2 242.322 2.848 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)[nH]1)C2 ZINC001209574796 969557392 /nfs/dbraw/zinc/55/73/92/969557392.db2.gz VDBSPYAKOUULDN-UHFFFAOYSA-N 1 2 242.322 2.848 20 0 BFADLO Cc1ccnc(CC[NH2+]c2ccc(N)c(C)c2)c1 ZINC001169319018 969565814 /nfs/dbraw/zinc/56/58/14/969565814.db2.gz ZCDSTQKBNKTOOB-UHFFFAOYSA-N 1 2 241.338 2.935 20 0 BFADLO FC1(F)COCC[N@@H+](C2CCC3(CC3)CC2)C1 ZINC001254441729 969633802 /nfs/dbraw/zinc/63/38/02/969633802.db2.gz WCNMLYKQNKSUEO-UHFFFAOYSA-N 1 2 245.313 2.677 20 0 BFADLO FC1(F)COCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001254441729 969633806 /nfs/dbraw/zinc/63/38/06/969633806.db2.gz WCNMLYKQNKSUEO-UHFFFAOYSA-N 1 2 245.313 2.677 20 0 BFADLO CCc1nnc(Nc2ccc3[nH]c[nH+]c3c2)s1 ZINC001209841462 969654580 /nfs/dbraw/zinc/65/45/80/969654580.db2.gz PSDYWVSOBZAGIS-UHFFFAOYSA-N 1 2 245.311 2.720 20 0 BFADLO Clc1cncnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841504 969655706 /nfs/dbraw/zinc/65/57/06/969655706.db2.gz SAQHASBDOJGUMI-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO CCn1cnc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209848754 969658226 /nfs/dbraw/zinc/65/82/26/969658226.db2.gz RDHQKMGLCJFZAP-UHFFFAOYSA-N 1 2 227.271 2.523 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)c2cnccn2)c1C ZINC001169533651 969727642 /nfs/dbraw/zinc/72/76/42/969727642.db2.gz OOLQZFFYIMEXRB-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO COc1cc[nH+]c(Nc2ccc(F)cc2O)c1 ZINC001210015255 969758578 /nfs/dbraw/zinc/75/85/78/969758578.db2.gz WEZKSJLSUBYPGR-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO Cc1c(F)cc(Nc2[nH+]cccc2N)cc1F ZINC001210105552 969800452 /nfs/dbraw/zinc/80/04/52/969800452.db2.gz CBRFDPWOVMEQDZ-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO COc1cc[nH+]c(Nc2cccc(C)c2O)c1 ZINC001210188252 969824703 /nfs/dbraw/zinc/82/47/03/969824703.db2.gz UUQPUASMYINISF-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Oc1c(F)cccc1Nc1cccc2[nH+]ccn21 ZINC001210196080 969828150 /nfs/dbraw/zinc/82/81/50/969828150.db2.gz POQKEJRWNMSKMC-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CCC[C@H](OCC[NH+]1CCOCC1)[C@@H](C)CC ZINC001210209266 969833294 /nfs/dbraw/zinc/83/32/94/969833294.db2.gz ZBMYXRUHAOWZFV-KBPBESRZSA-N 1 2 243.391 2.550 20 0 BFADLO CCc1ccc(Nc2c[nH+]c(C)c(N)c2)cn1 ZINC001210287129 969854053 /nfs/dbraw/zinc/85/40/53/969854053.db2.gz LZSKHIOFDYGFCB-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO Cc1[nH+]cc(Nc2cnn(C(C)(C)C)c2)cc1N ZINC001210286697 969854277 /nfs/dbraw/zinc/85/42/77/969854277.db2.gz DPFPUACCZZPOFW-UHFFFAOYSA-N 1 2 245.330 2.667 20 0 BFADLO Cc1c[nH+]c(Nc2cnc(C)c(N)c2)c(C)c1 ZINC001210286883 969854724 /nfs/dbraw/zinc/85/47/24/969854724.db2.gz FVWZCBMHRQPQJU-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1[nH+]cc(Nc2ccc([C@H](C)O)cc2)cc1N ZINC001210288972 969856728 /nfs/dbraw/zinc/85/67/28/969856728.db2.gz ZKQLAVOCPXUVSQ-JTQLQIEISA-N 1 2 243.310 2.769 20 0 BFADLO Cc1cc(N)ccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210290873 969858657 /nfs/dbraw/zinc/85/86/57/969858657.db2.gz SHWCSPALKXLXTA-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO COc1cc[nH+]c(Nc2cccc(F)c2OC)c1 ZINC001210398420 969884723 /nfs/dbraw/zinc/88/47/23/969884723.db2.gz CVXNOKSFVTZRNC-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc([C@@H](C)O)c1 ZINC001210503526 969912801 /nfs/dbraw/zinc/91/28/01/969912801.db2.gz LVKUVURXASYBAZ-SNVBAGLBSA-N 1 2 244.294 2.893 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2ocnc2c1 ZINC001210570119 969943837 /nfs/dbraw/zinc/94/38/37/969943837.db2.gz MMOPWJQOHGTUSU-UHFFFAOYSA-N 1 2 241.250 2.980 20 0 BFADLO CC(C)n1ccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001242453940 969948702 /nfs/dbraw/zinc/94/87/02/969948702.db2.gz ZUQBQFCNWUGICB-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO Cc1cn2cccc(Nc3cnoc3C)c2[nH+]1 ZINC001210579297 969954945 /nfs/dbraw/zinc/95/49/45/969954945.db2.gz RPFATRKYFQRTBI-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO Cc1oncc1Nc1ccc2c(c1)[nH+]cn2C ZINC001210580557 969959391 /nfs/dbraw/zinc/95/93/91/969959391.db2.gz RRKDDNISBDAKNX-UHFFFAOYSA-N 1 2 228.255 2.613 20 0 BFADLO c1cn2c(cccc2-c2ccc3ncncc3c2)[nH+]1 ZINC001242512353 969985097 /nfs/dbraw/zinc/98/50/97/969985097.db2.gz DUFRHPDFTWIRMK-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cccc(Nc3c[nH]c4ncccc34)c2[nH+]1 ZINC001210940658 970076135 /nfs/dbraw/zinc/07/61/35/970076135.db2.gz TWVYSANABQGRSX-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1c(F)cc[nH+]c1N(C)Cc1cncs1 ZINC001157083386 970084620 /nfs/dbraw/zinc/08/46/20/970084620.db2.gz RAJMDPHPGCJCIQ-UHFFFAOYSA-N 1 2 237.303 2.622 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(O)c1Cl ZINC001242800305 970087275 /nfs/dbraw/zinc/08/72/75/970087275.db2.gz MMBXBGOAXGFHDK-FCXRPNKRSA-N 1 2 209.676 2.921 20 0 BFADLO CCCCCOC(=O)C[NH2+][C@@H](C)CCCC ZINC001255319984 970090957 /nfs/dbraw/zinc/09/09/57/970090957.db2.gz NGKZBWMJVIAHQF-LBPRGKRZSA-N 1 2 229.364 2.888 20 0 BFADLO Cc1nc(N2CCC[C@@H]3C[C@@H]32)cc(C(C)C)[nH+]1 ZINC001157131643 970095711 /nfs/dbraw/zinc/09/57/11/970095711.db2.gz GZEOZHIOBQFAKM-YPMHNXCESA-N 1 2 231.343 2.897 20 0 BFADLO Cc1ccc(Nc2ccc3c(c2)CC(=O)C3)[nH+]c1 ZINC001211014587 970115925 /nfs/dbraw/zinc/11/59/25/970115925.db2.gz WDVVOVARYBQCLC-UHFFFAOYSA-N 1 2 238.290 2.801 20 0 BFADLO CCOC(=O)C1([NH2+][C@H](C)CCCC(C)C)CC1 ZINC001170061367 970120834 /nfs/dbraw/zinc/12/08/34/970120834.db2.gz NITFUSHCPJHZAU-GFCCVEGCSA-N 1 2 241.375 2.887 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cncc(CO)c1 ZINC001211101462 970144731 /nfs/dbraw/zinc/14/47/31/970144731.db2.gz NKWSFLUEPZCQJQ-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1ccc(F)c(O)c1 ZINC001211215147 970175122 /nfs/dbraw/zinc/17/51/22/970175122.db2.gz MGTIDUNGSGVOKQ-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO CC(C)CCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001170082246 970194889 /nfs/dbraw/zinc/19/48/89/970194889.db2.gz KYEMHTRDEJIMQA-LBPRGKRZSA-N 1 2 235.375 2.951 20 0 BFADLO CC(C)CCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001170082246 970194898 /nfs/dbraw/zinc/19/48/98/970194898.db2.gz KYEMHTRDEJIMQA-LBPRGKRZSA-N 1 2 235.375 2.951 20 0 BFADLO CC(C)COc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243069634 970256064 /nfs/dbraw/zinc/25/60/64/970256064.db2.gz IVABOROWHNJTFH-UHFFFAOYSA-N 1 2 231.299 2.517 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2nscc2c1 ZINC001243066823 970257308 /nfs/dbraw/zinc/25/73/08/970257308.db2.gz BAMXXANVGFLNAZ-UHFFFAOYSA-N 1 2 215.281 2.697 20 0 BFADLO COc1ccc2ccc(-c3c[nH+]cn3C)cc2n1 ZINC001243068869 970262073 /nfs/dbraw/zinc/26/20/73/970262073.db2.gz JWBNBIQWJJFJLN-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C(C)(C)C)nc1 ZINC001243069796 970263264 /nfs/dbraw/zinc/26/32/64/970263264.db2.gz AOIWBRSVHVDXSE-UHFFFAOYSA-N 1 2 215.300 2.780 20 0 BFADLO Cn1c[nH+]cc1-c1cc(F)c2ncccc2c1 ZINC001243068987 970263722 /nfs/dbraw/zinc/26/37/22/970263722.db2.gz LXCILRDXAGDGGG-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1nsc(Nc2c[nH+]c(C)cc2C)n1 ZINC001213503367 970329906 /nfs/dbraw/zinc/32/99/06/970329906.db2.gz BGLAHFJRWXDKHZ-UHFFFAOYSA-N 1 2 220.301 2.602 20 0 BFADLO Cc1cc(C)c(Nc2c(F)cncc2F)c[nH+]1 ZINC001213503698 970330651 /nfs/dbraw/zinc/33/06/51/970330651.db2.gz SUTPZPCLLZUBFL-UHFFFAOYSA-N 1 2 235.237 2.537 20 0 BFADLO Cc1cnc(Nc2c[nH+]c(C)cc2C)o1 ZINC001213503589 970333320 /nfs/dbraw/zinc/33/33/20/970333320.db2.gz NWVVBTCRNQDLIQ-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1cc(C)c(Nc2ncncc2Cl)c[nH+]1 ZINC001213503386 970335182 /nfs/dbraw/zinc/33/51/82/970335182.db2.gz CKDDWENNAYSUBD-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO CCOc1nccnc1Nc1c[nH+]c(C)cc1C ZINC001213505323 970335376 /nfs/dbraw/zinc/33/53/76/970335376.db2.gz BXOFIJKEPUKPHG-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1cc(C)c(Nc2cncnc2C)c[nH+]1 ZINC001213505923 970335812 /nfs/dbraw/zinc/33/58/12/970335812.db2.gz TVGDJTGIFGSJFB-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cc(C)c(Nc2nonc2C2CC2)c[nH+]1 ZINC001213511129 970339330 /nfs/dbraw/zinc/33/93/30/970339330.db2.gz XZZSFJBUNUGNNZ-UHFFFAOYSA-N 1 2 230.271 2.702 20 0 BFADLO CSc1cc(Nc2c[nH+]c(C)cc2C)n(C)n1 ZINC001213511069 970340391 /nfs/dbraw/zinc/34/03/91/970340391.db2.gz UVKINIRFMAJIDC-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO Cc1nn(C)c(C)c1Nc1c[nH+]cc(C)c1C ZINC001213523630 970343739 /nfs/dbraw/zinc/34/37/39/970343739.db2.gz XVLPJJSSFKYZDV-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO Cc1c[nH+]cc(Nc2ccccc2C(N)=O)c1C ZINC001213530624 970352912 /nfs/dbraw/zinc/35/29/12/970352912.db2.gz HNFOIIQOFNMQMS-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO CCn1cnc(Nc2c[nH+]cc(C)c2C)c1 ZINC001213529162 970353652 /nfs/dbraw/zinc/35/36/52/970353652.db2.gz XKFRHDRYAYZBEP-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO Cc1cccc(Nc2cc(F)ccc2N)[nH+]1 ZINC001214196572 970462383 /nfs/dbraw/zinc/46/23/83/970462383.db2.gz FDYJVCJETWVMCV-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(O)ccc1C ZINC001214341207 970487231 /nfs/dbraw/zinc/48/72/31/970487231.db2.gz PTDVUAYHTXECQE-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO C[C@@H](Cc1ccccc1F)[NH+]1CC2(C1)CCCO2 ZINC001255844508 970519648 /nfs/dbraw/zinc/51/96/48/970519648.db2.gz DTQPCOZXIFEGTJ-LBPRGKRZSA-N 1 2 249.329 2.622 20 0 BFADLO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC1(F)F ZINC001255856513 970524831 /nfs/dbraw/zinc/52/48/31/970524831.db2.gz VBQBXQKFDDOQGC-KCJUWKMLSA-N 1 2 229.245 2.754 20 0 BFADLO C[C@@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001255869173 970533545 /nfs/dbraw/zinc/53/35/45/970533545.db2.gz YJDSLUBEOHNFJR-TVYUQYBPSA-N 1 2 243.272 2.749 20 0 BFADLO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001255869173 970533555 /nfs/dbraw/zinc/53/35/55/970533555.db2.gz YJDSLUBEOHNFJR-TVYUQYBPSA-N 1 2 243.272 2.749 20 0 BFADLO FC1(F)CCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401883710 970743585 /nfs/dbraw/zinc/74/35/85/970743585.db2.gz CVXAOGRICWSYQI-GXSJLCMTSA-N 1 2 241.285 2.565 20 0 BFADLO FC1(F)CCC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401883723 970745908 /nfs/dbraw/zinc/74/59/08/970745908.db2.gz CVXAOGRICWSYQI-MWLCHTKSSA-N 1 2 241.285 2.565 20 0 BFADLO Cc1c(O)cccc1C[N@@H+]1CCn2cccc2C1 ZINC001144118984 972588027 /nfs/dbraw/zinc/58/80/27/972588027.db2.gz NZQUVFCJWDVSRI-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1c(O)cccc1C[N@H+]1CCn2cccc2C1 ZINC001144118984 972588033 /nfs/dbraw/zinc/58/80/33/972588033.db2.gz NZQUVFCJWDVSRI-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO C[C@@H]1CC[C@H](OCc2c[nH+]cn2C)C[C@H]1C ZINC001222595084 972592487 /nfs/dbraw/zinc/59/24/87/972592487.db2.gz NUBOZXHLNPPSIK-WZRBSPASSA-N 1 2 222.332 2.761 20 0 BFADLO C[C@H]1C[C@H](OCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC001222594285 972593944 /nfs/dbraw/zinc/59/39/44/972593944.db2.gz DIEUYTANSJIFQD-PJXYFTJBSA-N 1 2 222.332 2.761 20 0 BFADLO COc1ccc([C@@H](C)OCc2c[nH+]cn2C)cc1 ZINC001222595143 972594040 /nfs/dbraw/zinc/59/40/40/972594040.db2.gz QGCZXNSQHPNYTF-LLVKDONJSA-N 1 2 246.310 2.707 20 0 BFADLO CC[C@H]1CCCC[C@@H]1OCc1c[nH+]cn1C ZINC001222595008 972594812 /nfs/dbraw/zinc/59/48/12/972594812.db2.gz LPILHPUDJCBDLY-AAEUAGOBSA-N 1 2 222.332 2.906 20 0 BFADLO C[C@H]1CC[C@@H](OCc2c[nH+]cn2C)CC1 ZINC001222599879 972596169 /nfs/dbraw/zinc/59/61/69/972596169.db2.gz HXLWXOSUTASJTG-KLPPZKSPSA-N 1 2 208.305 2.515 20 0 BFADLO COc1ccc(O)cc1-c1ccn2cc[nH+]c2c1 ZINC001222624782 972609663 /nfs/dbraw/zinc/60/96/63/972609663.db2.gz OWIKGWZLNSIIFJ-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@@H]2C=CCCCCC2)no1 ZINC001327811735 972741553 /nfs/dbraw/zinc/74/15/53/972741553.db2.gz QMLQJHGZDDKOMR-ZYHUDNBSSA-N 1 2 235.331 2.918 20 0 BFADLO Cc1cc(C[NH+]2CCC(C3CCC3)CC2)n[nH]1 ZINC001327939891 972822836 /nfs/dbraw/zinc/82/28/36/972822836.db2.gz GWVBWHADECKLJR-UHFFFAOYSA-N 1 2 233.359 2.730 20 0 BFADLO CCC(C)(C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845476453 972827268 /nfs/dbraw/zinc/82/72/68/972827268.db2.gz HAEOKMPUURJMBI-LLVKDONJSA-N 1 2 238.331 2.814 20 0 BFADLO CC(C)[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541458 972860754 /nfs/dbraw/zinc/86/07/54/972860754.db2.gz GCWHJPOMSVXFPF-UHFFFAOYSA-N 1 2 215.243 2.511 20 0 BFADLO CC(C)[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541458 972860764 /nfs/dbraw/zinc/86/07/64/972860764.db2.gz GCWHJPOMSVXFPF-UHFFFAOYSA-N 1 2 215.243 2.511 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCCC23CC3)c(F)c1 ZINC001144541125 972863587 /nfs/dbraw/zinc/86/35/87/972863587.db2.gz BIKXIUVTHBLRCB-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCCC23CC3)c(F)c1 ZINC001144541125 972863592 /nfs/dbraw/zinc/86/35/92/972863592.db2.gz BIKXIUVTHBLRCB-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO CC1(C)CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144554857 972867295 /nfs/dbraw/zinc/86/72/95/972867295.db2.gz JXPIYRODDLHYOI-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144554857 972867303 /nfs/dbraw/zinc/86/73/03/972867303.db2.gz JXPIYRODDLHYOI-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO c1[nH+]c(CN2CCCCC23CC3)c2ccccn12 ZINC001144624544 972889393 /nfs/dbraw/zinc/88/93/93/972889393.db2.gz JRWWNIHKNOROSY-UHFFFAOYSA-N 1 2 241.338 2.853 20 0 BFADLO CC1CC[NH+](Cc2cc(F)c(O)cc2F)CC1 ZINC001144646873 972904657 /nfs/dbraw/zinc/90/46/57/972904657.db2.gz NZOKZHZHEBJUSH-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC[N@H+](Cc1cc(F)c(O)cc1F)C1CC1 ZINC001144646747 972907610 /nfs/dbraw/zinc/90/76/10/972907610.db2.gz INALVZLOHNYXGO-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[N@@H+](Cc1cc(F)c(O)cc1F)C1CC1 ZINC001144646747 972907628 /nfs/dbraw/zinc/90/76/28/972907628.db2.gz INALVZLOHNYXGO-UHFFFAOYSA-N 1 2 227.254 2.655 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)C1=CCCCC1 ZINC001146703893 973206680 /nfs/dbraw/zinc/20/66/80/973206680.db2.gz HKTBIWWIKGTKTN-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cn1cc(C[N@H+](C)Cc2ccccc2)c(Cl)n1 ZINC001328927528 973395628 /nfs/dbraw/zinc/39/56/28/973395628.db2.gz DEDNBZVTJDCTPB-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cc(C[N@@H+](C)Cc2ccccc2)c(Cl)n1 ZINC001328927528 973395638 /nfs/dbraw/zinc/39/56/38/973395638.db2.gz DEDNBZVTJDCTPB-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO CC(C)(C)[C@@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001329877844 973995654 /nfs/dbraw/zinc/99/56/54/973995654.db2.gz WSYVLEPIAQJEQT-ZDUSSCGKSA-N 1 2 244.342 2.682 20 0 BFADLO Fc1c[nH+]ccc1NCC1(c2ccccc2)CC1 ZINC001171467056 974081665 /nfs/dbraw/zinc/08/16/65/974081665.db2.gz SSYXSSSEINQUMQ-UHFFFAOYSA-N 1 2 242.297 2.786 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@H]1CCC=CO1 ZINC001224964059 974106308 /nfs/dbraw/zinc/10/63/08/974106308.db2.gz SDFFRPRKCGLHOX-GFCCVEGCSA-N 1 2 241.331 2.880 20 0 BFADLO CC(C)Oc1ccc(COc2cc[nH+]cc2)cn1 ZINC001225290686 974359034 /nfs/dbraw/zinc/35/90/34/974359034.db2.gz FXMLLWVDVVRPIB-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO CCCC(=O)[C@@H](CCC)Oc1cc[nH+]cc1 ZINC001225290575 974359716 /nfs/dbraw/zinc/35/97/16/974359716.db2.gz BFCCSEMFWPQVSS-CYBMUJFWSA-N 1 2 221.300 2.998 20 0 BFADLO FC1(F)C[C@H](Oc2cc[nH+]cc2)C1(F)F ZINC001225295573 974369425 /nfs/dbraw/zinc/36/94/25/974369425.db2.gz LINVYROEDLKMEZ-ZETCQYMHSA-N 1 2 221.153 2.503 20 0 BFADLO COC1=CC[C@H](Oc2cc[nH+]cc2)CC1 ZINC001225295307 974370618 /nfs/dbraw/zinc/37/06/18/974370618.db2.gz KAUFUDKAHDYGPN-NSHDSACASA-N 1 2 205.257 2.543 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1ccncc1F ZINC001225293921 974371117 /nfs/dbraw/zinc/37/11/17/974371117.db2.gz BZRYWYPVHSUFGR-VIFPVBQESA-N 1 2 218.231 2.756 20 0 BFADLO FC(F)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001172189601 974401218 /nfs/dbraw/zinc/40/12/18/974401218.db2.gz DPOGSZPMJBFBIM-SECBINFHSA-N 1 2 229.295 2.558 20 0 BFADLO Cc1ccc(N[C@H]2CCCc3c[nH]nc32)c(C)[nH+]1 ZINC001331225132 974652649 /nfs/dbraw/zinc/65/26/49/974652649.db2.gz OUTRWLVEFCYKJY-ZDUSSCGKSA-N 1 2 242.326 2.911 20 0 BFADLO CC(C)[NH+]1CC(Oc2cccc(Cl)c2F)C1 ZINC001225722283 974661354 /nfs/dbraw/zinc/66/13/54/974661354.db2.gz IVBGLOCYFBASNE-UHFFFAOYSA-N 1 2 243.709 2.951 20 0 BFADLO CC[NH+]1CC(Oc2ccc(C)c(Cl)c2)C1 ZINC001225857376 974703880 /nfs/dbraw/zinc/70/38/80/974703880.db2.gz CLSLYEMQIYOAED-UHFFFAOYSA-N 1 2 225.719 2.731 20 0 BFADLO CC(C)COCC[C@@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001172468396 974764045 /nfs/dbraw/zinc/76/40/45/974764045.db2.gz OWLYKJDXBHNOMW-GFCCVEGCSA-N 1 2 243.366 2.872 20 0 BFADLO FC1(F)C[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172706407 974925335 /nfs/dbraw/zinc/92/53/35/974925335.db2.gz GUIHGYWENNLJAW-MNOVXSKESA-N 1 2 243.684 2.804 20 0 BFADLO C[NH+]1CC(Oc2ccc(F)c3ccccc23)C1 ZINC001226549299 974951712 /nfs/dbraw/zinc/95/17/12/974951712.db2.gz HOZJGFOQDNUDAH-UHFFFAOYSA-N 1 2 231.270 2.672 20 0 BFADLO Cc1cn2c(cccc2Nc2conc2C)[nH+]1 ZINC001212717496 975105377 /nfs/dbraw/zinc/10/53/77/975105377.db2.gz IFFAZDTZWSPUIF-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO CC[C@@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001173273710 975150657 /nfs/dbraw/zinc/15/06/57/975150657.db2.gz OHVZLZVSPKALSF-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001173273710 975150663 /nfs/dbraw/zinc/15/06/63/975150663.db2.gz OHVZLZVSPKALSF-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1COc2cnccc21 ZINC001227261860 975337153 /nfs/dbraw/zinc/33/71/53/975337153.db2.gz GTPPZUWNEFCILE-ZDUSSCGKSA-N 1 2 242.278 2.606 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccccc2F)CCC1=O ZINC001203345972 975370414 /nfs/dbraw/zinc/37/04/14/975370414.db2.gz GMIHVDZWOZWYDG-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccccc2F)CCC1=O ZINC001203345972 975370419 /nfs/dbraw/zinc/37/04/19/975370419.db2.gz GMIHVDZWOZWYDG-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ncccn1 ZINC001333037353 975377209 /nfs/dbraw/zinc/37/72/09/975377209.db2.gz NGUQGBIWAYLZRH-WDEREUQCSA-N 1 2 243.310 2.594 20 0 BFADLO CC[C@@H](C)c1ccccc1OC1C[NH+](C)C1 ZINC001227759057 975676323 /nfs/dbraw/zinc/67/63/23/975676323.db2.gz FPZJEZLBFDFOFR-LLVKDONJSA-N 1 2 219.328 2.893 20 0 BFADLO COc1ccc(Nc2[nH+]c(C)ccc2O)cc1 ZINC001173805308 975691825 /nfs/dbraw/zinc/69/18/25/975691825.db2.gz QCADLPBHECUAHZ-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1cc(C)c([N@H+]2C(=N)C=CC(F)=C2N)c(C)c1 ZINC001173843488 975726130 /nfs/dbraw/zinc/72/61/30/975726130.db2.gz MEXNXYOLWDZPPV-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO Cc1cc(C)c([N@@H+]2C(=N)C=CC(F)=C2N)c(C)c1 ZINC001173843488 975726140 /nfs/dbraw/zinc/72/61/40/975726140.db2.gz MEXNXYOLWDZPPV-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO COc1ccc2ccc(OC3C[NH+](C)C3)cc2c1 ZINC001227851077 975743617 /nfs/dbraw/zinc/74/36/17/975743617.db2.gz VLKHIUITUPHYRE-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccnc1 ZINC001173854414 975769684 /nfs/dbraw/zinc/76/96/84/975769684.db2.gz AIZQFIAWPYZKNE-UHFFFAOYSA-N 1 2 215.256 2.619 20 0 BFADLO COc1cc(Nc2cccnc2)cc(C)[nH+]1 ZINC001173855024 975769791 /nfs/dbraw/zinc/76/97/91/975769791.db2.gz IHNUASQLTJUOJQ-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)ccc1OC ZINC001173955129 975995823 /nfs/dbraw/zinc/99/58/23/975995823.db2.gz RLLRHTNWIAYRHR-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO CN(C)c1ccc(NC2=CCCC2)c[nH+]1 ZINC001173996814 976135214 /nfs/dbraw/zinc/13/52/14/976135214.db2.gz PBRSWTKOQRHERT-UHFFFAOYSA-N 1 2 203.289 2.627 20 0 BFADLO CC1(C)CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC001333999779 976198783 /nfs/dbraw/zinc/19/87/83/976198783.db2.gz JMYFGSUFEXDZTR-UHFFFAOYSA-N 1 2 240.297 2.982 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001333999779 976198793 /nfs/dbraw/zinc/19/87/93/976198793.db2.gz JMYFGSUFEXDZTR-UHFFFAOYSA-N 1 2 240.297 2.982 20 0 BFADLO Cc1ccc(C)c(Nc2ccccc2C(N)=O)[nH+]1 ZINC001173980320 976202039 /nfs/dbraw/zinc/20/20/39/976202039.db2.gz VUTIHDOQLAAIKD-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1ccncc1Nc1ccc(N(C)C)[nH+]c1 ZINC001174115618 976333075 /nfs/dbraw/zinc/33/30/75/976333075.db2.gz NRUPPZZYUONOEF-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO COc1ccc(Nc2[nH+]cc(C)cc2N)c(F)c1 ZINC001174143850 976376835 /nfs/dbraw/zinc/37/68/35/976376835.db2.gz HPVWXCUXNSOUQQ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1n[nH]c(C)c1Nc1cc(C)cc(C)[nH+]1 ZINC001174213020 976387641 /nfs/dbraw/zinc/38/76/41/976387641.db2.gz FWMPZNGHLIKEAQ-UHFFFAOYSA-N 1 2 216.288 2.782 20 0 BFADLO CCCn1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC001174217660 976407138 /nfs/dbraw/zinc/40/71/38/976407138.db2.gz RQQYGOWLCSZLNA-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO CCN(C)c1ccc(Nc2cncc(F)c2)c[nH+]1 ZINC001174290224 976458642 /nfs/dbraw/zinc/45/86/42/976458642.db2.gz JSLABFWYXNTWRI-UHFFFAOYSA-N 1 2 246.289 2.815 20 0 BFADLO CC(C)[NH+]1CC(Oc2cc3cc[nH]c3cc2F)C1 ZINC001228885156 976547821 /nfs/dbraw/zinc/54/78/21/976547821.db2.gz PSPBSZUIOZOAKD-UHFFFAOYSA-N 1 2 248.301 2.778 20 0 BFADLO Fc1cc(Nc2cc[nH+]c3[nH]ccc32)ccn1 ZINC001174408864 976697428 /nfs/dbraw/zinc/69/74/28/976697428.db2.gz SGQHFNAEXXVFJG-UHFFFAOYSA-N 1 2 228.230 2.792 20 0 BFADLO c1cc2cc(Nc3cc[nH+]c4[nH]ccc43)ccn2n1 ZINC001174409994 976697970 /nfs/dbraw/zinc/69/79/70/976697970.db2.gz CVYSPFLOJZFUMY-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO OCc1ccc(Nc2cc[nH+]c3[nH]ccc32)cc1 ZINC001174411240 976701283 /nfs/dbraw/zinc/70/12/83/976701283.db2.gz QHHBZDAFNHFUEX-UHFFFAOYSA-N 1 2 239.278 2.750 20 0 BFADLO CCOc1cc(Nc2c[nH]nc2C)cc(C)[nH+]1 ZINC001174471419 976777848 /nfs/dbraw/zinc/77/78/48/976777848.db2.gz FVYKNUXDSBFBFU-UHFFFAOYSA-N 1 2 232.287 2.564 20 0 BFADLO Cc1n[nH]cc1Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001174474066 976784061 /nfs/dbraw/zinc/78/40/61/976784061.db2.gz WKVRGGFTANLXTG-UHFFFAOYSA-N 1 2 239.282 2.647 20 0 BFADLO Nc1ccc(Nc2cccn3cc[nH+]c23)c(F)c1 ZINC001174479972 976801339 /nfs/dbraw/zinc/80/13/39/976801339.db2.gz PTLAQFYOTCQSMJ-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO COc1cc(Nc2[nH+]cc(O)cc2C)ccc1O ZINC001174540656 976833361 /nfs/dbraw/zinc/83/33/61/976833361.db2.gz XFANKAYHSLEYKX-UHFFFAOYSA-N 1 2 246.266 2.553 20 0 BFADLO CCn1cc(Nc2cccc3[nH+]c(C)cn32)cn1 ZINC001174566088 976881904 /nfs/dbraw/zinc/88/19/04/976881904.db2.gz GSEVQQGQFBTROC-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO CCn1cc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001174567283 976885907 /nfs/dbraw/zinc/88/59/07/976885907.db2.gz SMTAHVLCQDCFBL-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO Cc1cc[nH+]c(NC2=CCC3(CC2)OCCO3)c1 ZINC001174636033 976911111 /nfs/dbraw/zinc/91/11/11/976911111.db2.gz XHMGPDJMXHQCTH-UHFFFAOYSA-N 1 2 246.310 2.613 20 0 BFADLO Cc1cc(S)ccc1O[C@@H](C)C[NH+](C)C ZINC001229633839 976920427 /nfs/dbraw/zinc/92/04/27/976920427.db2.gz AUXMIXLQBMVVFB-JTQLQIEISA-N 1 2 225.357 2.613 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(O)c(F)c2)[nH+]1 ZINC001174733012 976977169 /nfs/dbraw/zinc/97/71/69/976977169.db2.gz DMUJOVZJPCWOBP-UHFFFAOYSA-N 1 2 234.230 2.684 20 0 BFADLO CC[C@H](COC)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954878 977036870 /nfs/dbraw/zinc/03/68/70/977036870.db2.gz VGXVVQIVHCMQGC-CYBMUJFWSA-N 1 2 246.310 2.676 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1cccc(O)c1 ZINC001174889414 977121662 /nfs/dbraw/zinc/12/16/62/977121662.db2.gz QOLMKWPUASAYJQ-UHFFFAOYSA-N 1 2 229.283 2.597 20 0 BFADLO C[NH+]1CC(Oc2ccc3cccc(F)c3c2)C1 ZINC001230210787 977127805 /nfs/dbraw/zinc/12/78/05/977127805.db2.gz CNZHIIAVQUTNGJ-UHFFFAOYSA-N 1 2 231.270 2.672 20 0 BFADLO Cc1ccc(O)c(Nc2ccc3c(c2)OCO3)[nH+]1 ZINC001174860956 977129191 /nfs/dbraw/zinc/12/91/91/977129191.db2.gz AJUKMRRXRUEIAR-UHFFFAOYSA-N 1 2 244.250 2.568 20 0 BFADLO Cn1ccnc1C[N@H+](C)Cc1ccccc1CF ZINC001335583775 977158442 /nfs/dbraw/zinc/15/84/42/977158442.db2.gz ZQXJNKLXWZVYSL-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO Cn1ccnc1C[N@@H+](C)Cc1ccccc1CF ZINC001335583775 977158449 /nfs/dbraw/zinc/15/84/49/977158449.db2.gz ZQXJNKLXWZVYSL-UHFFFAOYSA-N 1 2 247.317 2.522 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(C)c(N)c2)[nH+]1 ZINC001174933362 977173200 /nfs/dbraw/zinc/17/32/00/977173200.db2.gz OTXAJIPCLXFBRM-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Fc1cnccc1Nc1cccc2cc[nH+]cc21 ZINC001175198035 977299368 /nfs/dbraw/zinc/29/93/68/977299368.db2.gz DTNHARNWTBZKKM-UHFFFAOYSA-N 1 2 239.253 2.934 20 0 BFADLO Oc1cc2c(cc1O[C@H]1C=CCCC1)CC[NH+]=C2 ZINC001230918931 977380322 /nfs/dbraw/zinc/38/03/22/977380322.db2.gz BJZRFFVXLQLPAF-ZDUSSCGKSA-N 1 2 243.306 2.855 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(N(C)C)nc1 ZINC001175340425 977385862 /nfs/dbraw/zinc/38/58/62/977385862.db2.gz GGCPOVZCWOMGTI-UHFFFAOYSA-N 1 2 242.326 2.849 20 0 BFADLO Cc1cc(F)ncc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175338657 977386730 /nfs/dbraw/zinc/38/67/30/977386730.db2.gz JMKXDDXQMROUNW-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)cnc1F ZINC001175339006 977389064 /nfs/dbraw/zinc/38/90/64/977389064.db2.gz SNKZTYWIDLJMSU-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO CC[C@H](COc1ccc(-c2[nH]cc[nH+]2)cc1)OC ZINC001231082291 977474149 /nfs/dbraw/zinc/47/41/49/977474149.db2.gz UIXTUGDCSXEOGR-GFCCVEGCSA-N 1 2 246.310 2.881 20 0 BFADLO OCc1cccc(Nc2cccc3[nH+]ccn32)c1 ZINC001175506719 977474723 /nfs/dbraw/zinc/47/47/23/977474723.db2.gz FKGONAVUNRNBOD-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO OCc1cccc(Nc2cccn3cc[nH+]c23)c1 ZINC001175509428 977482655 /nfs/dbraw/zinc/48/26/55/977482655.db2.gz KAEIUWMRSYYCFZ-UHFFFAOYSA-N 1 2 239.278 2.570 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(CO)cc1 ZINC001175563357 977546861 /nfs/dbraw/zinc/54/68/61/977546861.db2.gz NWPMKMZGAIFGBX-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO c1cn2c(cccc2Nc2cccc3c[nH]nc32)[nH+]1 ZINC001175635802 977606286 /nfs/dbraw/zinc/60/62/86/977606286.db2.gz JYBCNXOVOXBXHG-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CCOc1ccc(Nc2cc(C)cc[nH+]2)cn1 ZINC001175735244 977671394 /nfs/dbraw/zinc/67/13/94/977671394.db2.gz DJMVRWCFTGVLLT-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO CCc1ccc(N(C)Cc2ccco2)[nH+]c1 ZINC001336456404 977697142 /nfs/dbraw/zinc/69/71/42/977697142.db2.gz XOVWUUOASFQNMZ-UHFFFAOYSA-N 1 2 216.284 2.873 20 0 BFADLO CCc1ccc(N2C[C@@H](C)O[C@@H](CC)C2)[nH+]c1 ZINC001336503942 977731748 /nfs/dbraw/zinc/73/17/48/977731748.db2.gz RJHCABBBMSYJBY-YPMHNXCESA-N 1 2 234.343 2.648 20 0 BFADLO Cc1cc(C)c(Nc2cscn2)c[nH+]1 ZINC001175941955 977806137 /nfs/dbraw/zinc/80/61/37/977806137.db2.gz LUNDQDTXGNDLOD-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2cnn(C3CC3)c2)c1 ZINC001175958137 977823319 /nfs/dbraw/zinc/82/33/19/977823319.db2.gz GDXVEWQYFXVZKO-UHFFFAOYSA-N 1 2 228.299 2.973 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C(F)F)C2)[nH+]1 ZINC001336639201 977823239 /nfs/dbraw/zinc/82/32/39/977823239.db2.gz YBJCVPWHQGZQSV-QMMMGPOBSA-N 1 2 230.233 2.621 20 0 BFADLO c1cn2c(cccc2Nc2cnn(C3CC3)c2)[nH+]1 ZINC001175959555 977826221 /nfs/dbraw/zinc/82/62/21/977826221.db2.gz WCHJAUBKNYMLPQ-UHFFFAOYSA-N 1 2 239.282 2.609 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cncs2)cc(C)n1 ZINC001232003680 977834078 /nfs/dbraw/zinc/83/40/78/977834078.db2.gz UCBMBRNCMIIZLU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cncs2)cc(C)n1 ZINC001232003680 977834083 /nfs/dbraw/zinc/83/40/83/977834083.db2.gz UCBMBRNCMIIZLU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C(F)(F)F)c(Nc2[nH]cc[nH+]2)s1 ZINC001176080867 977876871 /nfs/dbraw/zinc/87/68/71/977876871.db2.gz ZBPHJGSFKSEZJB-UHFFFAOYSA-N 1 2 248.233 2.937 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cccc(C(F)(F)F)n1 ZINC001232069987 977882765 /nfs/dbraw/zinc/88/27/65/977882765.db2.gz VKKAKJXPCDHKDE-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cccc(C(F)(F)F)n1 ZINC001232069987 977882768 /nfs/dbraw/zinc/88/27/68/977882768.db2.gz VKKAKJXPCDHKDE-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO CSCC[N@H+](C)Cc1nc(Cl)ccc1F ZINC001232161418 977898122 /nfs/dbraw/zinc/89/81/22/977898122.db2.gz OJOXLMBIPYJBSM-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CSCC[N@@H+](C)Cc1nc(Cl)ccc1F ZINC001232161418 977898124 /nfs/dbraw/zinc/89/81/24/977898124.db2.gz OJOXLMBIPYJBSM-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CCc1[nH+]ccc(C)c1NC1=CCOCC1 ZINC001176143928 977930404 /nfs/dbraw/zinc/93/04/04/977930404.db2.gz JHJBCIOIPVDAKA-UHFFFAOYSA-N 1 2 218.300 2.669 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(C)n1 ZINC001176118445 977943111 /nfs/dbraw/zinc/94/31/11/977943111.db2.gz GHZOGNZYSBKLND-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO CCCc1cc(Nc2c[nH+]ccc2OC)on1 ZINC001176117166 977945992 /nfs/dbraw/zinc/94/59/92/977945992.db2.gz URWHINIOVDZLCB-UHFFFAOYSA-N 1 2 233.271 2.774 20 0 BFADLO COc1cc[nH+]cc1Nc1ncc(F)cc1F ZINC001176117247 977947068 /nfs/dbraw/zinc/94/70/68/977947068.db2.gz XPCSPCCIAZFNMX-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1-n1ccc2ccc(N)cc21 ZINC001176120758 977950309 /nfs/dbraw/zinc/95/03/09/977950309.db2.gz JJLJGIGLUISLLJ-UHFFFAOYSA-N 1 2 239.278 2.616 20 0 BFADLO COc1cc[nH+]cc1Nc1cccnc1C ZINC001176119526 977950841 /nfs/dbraw/zinc/95/08/41/977950841.db2.gz RUGMTBGUYTWIND-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc[nH+]cc1Nc1c(O)cccc1F ZINC001176120535 977950892 /nfs/dbraw/zinc/95/08/92/977950892.db2.gz CQKOCJKKWYAMLA-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)ccn1 ZINC001176119163 977951490 /nfs/dbraw/zinc/95/14/90/977951490.db2.gz MAFRJTFPVBCIGE-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)cc1O ZINC001176120931 977951613 /nfs/dbraw/zinc/95/16/13/977951613.db2.gz BDIAWOFHMWCXIA-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(F)c1OC ZINC001176121998 977957163 /nfs/dbraw/zinc/95/71/63/977957163.db2.gz YKFBDKCQKYPAMG-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2oncc2c1 ZINC001176123951 977958904 /nfs/dbraw/zinc/95/89/04/977958904.db2.gz ZRFHXPBENIARGJ-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO Cc1ccc(Nc2ccc(=O)[nH]c2)c(C)[nH+]1 ZINC001176125143 977963947 /nfs/dbraw/zinc/96/39/47/977963947.db2.gz XEDYUAZEOMIQMM-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO C[N@H+](CCF)Cc1cccn1Cc1ccccc1 ZINC001232234833 977970107 /nfs/dbraw/zinc/97/01/07/977970107.db2.gz FHJQGGLMEWJUQD-UHFFFAOYSA-N 1 2 246.329 2.938 20 0 BFADLO C[N@@H+](CCF)Cc1cccn1Cc1ccccc1 ZINC001232234833 977970117 /nfs/dbraw/zinc/97/01/17/977970117.db2.gz FHJQGGLMEWJUQD-UHFFFAOYSA-N 1 2 246.329 2.938 20 0 BFADLO Cc1noc(C)c1Nc1cccc2[nH+]ccn21 ZINC001176178161 977975936 /nfs/dbraw/zinc/97/59/36/977975936.db2.gz VVSDDJXHTCQFEM-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO CCCNc1cc(NCCCC(F)F)nc[nH+]1 ZINC001336823344 977987981 /nfs/dbraw/zinc/98/79/81/977987981.db2.gz BLAHWNVTYLGAQK-UHFFFAOYSA-N 1 2 244.289 2.756 20 0 BFADLO CCCNc1cc(NCCCC(F)F)[nH+]cn1 ZINC001336823344 977987985 /nfs/dbraw/zinc/98/79/85/977987985.db2.gz BLAHWNVTYLGAQK-UHFFFAOYSA-N 1 2 244.289 2.756 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001232324396 978003271 /nfs/dbraw/zinc/00/32/71/978003271.db2.gz IRWIRXWUSXZUJV-MWLCHTKSSA-N 1 2 240.347 2.736 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)cn1 ZINC001232324396 978003279 /nfs/dbraw/zinc/00/32/79/978003279.db2.gz IRWIRXWUSXZUJV-MWLCHTKSSA-N 1 2 240.347 2.736 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc2c(c1)CCC2=O ZINC001176232890 978004978 /nfs/dbraw/zinc/00/49/78/978004978.db2.gz UBZHEWQSPWDFCU-UHFFFAOYSA-N 1 2 239.278 2.536 20 0 BFADLO COc1ccc(Nc2[nH+]cccc2C)cc1O ZINC001176253858 978015593 /nfs/dbraw/zinc/01/55/93/978015593.db2.gz KDRWHRJFDWSEER-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1ccc(Nc2ccc3nonc3c2)c(C)[nH+]1 ZINC001176318764 978037956 /nfs/dbraw/zinc/03/79/56/978037956.db2.gz CDJCHTGZSPXKPG-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO COc1cc(Nc2ccc(O)cc2F)cc(C)[nH+]1 ZINC001176412479 978083534 /nfs/dbraw/zinc/08/35/34/978083534.db2.gz KGCVABFPXMHKCN-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO Cc1cc(F)cc(N(C)[C@H](C)C2CC2)[nH+]1 ZINC001336970149 978088180 /nfs/dbraw/zinc/08/81/80/978088180.db2.gz HLYHDMFVMLSWPY-SECBINFHSA-N 1 2 208.280 2.764 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)c(N)c1C ZINC001249632530 978112330 /nfs/dbraw/zinc/11/23/30/978112330.db2.gz XKPKJWVZIOIXNS-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH]c(CN2Cc3ccc(Cl)cc3C2)c[nH+]1 ZINC001232464364 978113421 /nfs/dbraw/zinc/11/34/21/978113421.db2.gz ABONRHCPVZHYRE-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Cc1[nH]cc(CN2Cc3ccc(Cl)cc3C2)[nH+]1 ZINC001232464364 978113424 /nfs/dbraw/zinc/11/34/24/978113424.db2.gz ABONRHCPVZHYRE-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(O)ccc1OC ZINC001176573845 978130876 /nfs/dbraw/zinc/13/08/76/978130876.db2.gz GFICLJPGHPOECT-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO Cc1cccc(F)c1C[N@H+](C)Cc1cncnc1 ZINC001232484408 978135896 /nfs/dbraw/zinc/13/58/96/978135896.db2.gz COPGPAGLWVWUKE-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(F)c1C[N@@H+](C)Cc1cncnc1 ZINC001232484408 978135901 /nfs/dbraw/zinc/13/59/01/978135901.db2.gz COPGPAGLWVWUKE-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1cccc(CF)n1 ZINC001232536024 978167762 /nfs/dbraw/zinc/16/77/62/978167762.db2.gz UTVKJSAEIYJOED-UHFFFAOYSA-N 1 2 245.301 2.578 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1cccc(CF)n1 ZINC001232536024 978167766 /nfs/dbraw/zinc/16/77/66/978167766.db2.gz UTVKJSAEIYJOED-UHFFFAOYSA-N 1 2 245.301 2.578 20 0 BFADLO Cc1cc(Nc2ccc[nH+]c2N2CCCC2)no1 ZINC001176743641 978169463 /nfs/dbraw/zinc/16/94/63/978169463.db2.gz RIBWLZNFWXEENL-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc2ccoc2cn1 ZINC001232549147 978172400 /nfs/dbraw/zinc/17/24/00/978172400.db2.gz BWQCVPUSVYZTHE-MWLCHTKSSA-N 1 2 234.274 2.760 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc2ccoc2cn1 ZINC001232549147 978172402 /nfs/dbraw/zinc/17/24/02/978172402.db2.gz BWQCVPUSVYZTHE-MWLCHTKSSA-N 1 2 234.274 2.760 20 0 BFADLO C[N@@H+](Cc1c(Cl)ccnc1F)CC1CC1 ZINC001232615414 978197139 /nfs/dbraw/zinc/19/71/39/978197139.db2.gz UCMCDJNETXWFPD-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO C[N@H+](Cc1c(Cl)ccnc1F)CC1CC1 ZINC001232615414 978197144 /nfs/dbraw/zinc/19/71/44/978197144.db2.gz UCMCDJNETXWFPD-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO COc1cccc(C)c1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001232620746 978199133 /nfs/dbraw/zinc/19/91/33/978199133.db2.gz RUSGALSPFHSYEW-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1cccc(C)c1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001232620746 978199136 /nfs/dbraw/zinc/19/91/36/978199136.db2.gz RUSGALSPFHSYEW-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO C[C@@H]1CCC(F)(F)CN1c1cccc[nH+]1 ZINC001337326254 978289408 /nfs/dbraw/zinc/28/94/08/978289408.db2.gz WKZUNQYORWGPAR-SECBINFHSA-N 1 2 212.243 2.706 20 0 BFADLO Cc1cc(O)cc(C[N@@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001232885576 978328168 /nfs/dbraw/zinc/32/81/68/978328168.db2.gz LCVLUGFXBOUDBV-UHFFFAOYSA-N 1 2 247.338 2.502 20 0 BFADLO Cc1cc(O)cc(C[N@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001232885576 978328178 /nfs/dbraw/zinc/32/81/78/978328178.db2.gz LCVLUGFXBOUDBV-UHFFFAOYSA-N 1 2 247.338 2.502 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932317 978344582 /nfs/dbraw/zinc/34/45/82/978344582.db2.gz XULOUKGTJHHYRL-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232932317 978344598 /nfs/dbraw/zinc/34/45/98/978344598.db2.gz XULOUKGTJHHYRL-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO Oc1cc(C[NH+]2CCCCC2)cc(F)c1F ZINC001232969262 978370051 /nfs/dbraw/zinc/37/00/51/978370051.db2.gz MPVGTORIBWBIFI-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968208 978370456 /nfs/dbraw/zinc/37/04/56/978370456.db2.gz FQZWWIUFWRDRQR-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1cc(O)c(F)c(F)c1 ZINC001232968208 978370467 /nfs/dbraw/zinc/37/04/67/978370467.db2.gz FQZWWIUFWRDRQR-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970288 978375451 /nfs/dbraw/zinc/37/54/51/978375451.db2.gz IVYZBXDSFMLLMJ-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232970288 978375463 /nfs/dbraw/zinc/37/54/63/978375463.db2.gz IVYZBXDSFMLLMJ-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO Cc1nc2c(o1)CC[N@H+](Cc1ccccc1)C2 ZINC000328578413 978458457 /nfs/dbraw/zinc/45/84/57/978458457.db2.gz KOMXAZILEDFMMD-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1nc2c(o1)CC[N@@H+](Cc1ccccc1)C2 ZINC000328578413 978458467 /nfs/dbraw/zinc/45/84/67/978458467.db2.gz KOMXAZILEDFMMD-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@H](F)C2)[nH+]1 ZINC001337818712 978512908 /nfs/dbraw/zinc/51/29/08/978512908.db2.gz DMDSDGBIFDDDLJ-LDYMZIIASA-N 1 2 226.270 2.713 20 0 BFADLO CCc1ccc(N(C)Cc2cccc(O)c2)[nH+]c1 ZINC001337819063 978513184 /nfs/dbraw/zinc/51/31/84/978513184.db2.gz NUZUAIPHCRYDPV-UHFFFAOYSA-N 1 2 242.322 2.986 20 0 BFADLO CO[C@]1(C)CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001337962803 978579990 /nfs/dbraw/zinc/57/99/90/978579990.db2.gz TUOAJOLPMAPZNQ-CYBMUJFWSA-N 1 2 238.306 2.534 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCCC23CC3)c1F ZINC001233393420 978598966 /nfs/dbraw/zinc/59/89/66/978598966.db2.gz TXTCICMEQSGERW-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCCC23CC3)c1F ZINC001233393420 978598974 /nfs/dbraw/zinc/59/89/74/978598974.db2.gz TXTCICMEQSGERW-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCC[C@H]1C ZINC001338242597 978640430 /nfs/dbraw/zinc/64/04/30/978640430.db2.gz MCRUFCWOJIKRLA-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1ncc(OC2C[NH+](C(C)C)C2)cc1Cl ZINC001233934171 978736329 /nfs/dbraw/zinc/73/63/29/978736329.db2.gz HUORUOPCLJRPCS-UHFFFAOYSA-N 1 2 240.734 2.515 20 0 BFADLO CS[C@@H]1CC[C@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001339511218 978860496 /nfs/dbraw/zinc/86/04/96/978860496.db2.gz COIXSJKTMKQOMS-WDEREUQCSA-N 1 2 237.372 2.505 20 0 BFADLO Cc1cc(F)cc(N(C)C[C@@H]2CCCCO2)[nH+]1 ZINC001339544359 978866955 /nfs/dbraw/zinc/86/69/55/978866955.db2.gz KYSHXOVDPHMTSZ-LBPRGKRZSA-N 1 2 238.306 2.534 20 0 BFADLO COc1cc2ccccc2cc1OC1C[NH+](C)C1 ZINC001234899798 978928306 /nfs/dbraw/zinc/92/83/06/978928306.db2.gz PZLYCMRSQNTIAR-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO C[NH+]1CC(Oc2cccc3ccc(F)cc32)C1 ZINC001234957617 978937738 /nfs/dbraw/zinc/93/77/38/978937738.db2.gz BNQDLTVHVUEGBM-UHFFFAOYSA-N 1 2 231.270 2.672 20 0 BFADLO Cc1ccccc1C[N@H+](C)Cc1ncc(F)cn1 ZINC001235006592 978949689 /nfs/dbraw/zinc/94/96/89/978949689.db2.gz XMIVJSMAYAGSFC-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccccc1C[N@@H+](C)Cc1ncc(F)cn1 ZINC001235006592 978949691 /nfs/dbraw/zinc/94/96/91/978949691.db2.gz XMIVJSMAYAGSFC-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Fc1cccc2cc(C[N@@H+]3CC[C@@H](F)C3)[nH]c21 ZINC001235236706 979004178 /nfs/dbraw/zinc/00/41/78/979004178.db2.gz GCIMIOSTXSCAJM-SNVBAGLBSA-N 1 2 236.265 2.851 20 0 BFADLO Fc1cccc2cc(C[N@H+]3CC[C@@H](F)C3)[nH]c21 ZINC001235236706 979004172 /nfs/dbraw/zinc/00/41/72/979004172.db2.gz GCIMIOSTXSCAJM-SNVBAGLBSA-N 1 2 236.265 2.851 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2cncs2)n1 ZINC001235261772 979014752 /nfs/dbraw/zinc/01/47/52/979014752.db2.gz BFEUXGWYULEXQT-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2cncs2)n1 ZINC001235261772 979014757 /nfs/dbraw/zinc/01/47/57/979014757.db2.gz BFEUXGWYULEXQT-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)n1 ZINC001235263554 979015944 /nfs/dbraw/zinc/01/59/44/979015944.db2.gz IYVJFTALLCWIMQ-OAHLLOKOSA-N 1 2 246.354 2.588 20 0 BFADLO CCc1cccc(C[N@H+]2CCCC[C@@H]2C(C)=O)n1 ZINC001235263554 979015949 /nfs/dbraw/zinc/01/59/49/979015949.db2.gz IYVJFTALLCWIMQ-OAHLLOKOSA-N 1 2 246.354 2.588 20 0 BFADLO Cc1c(C)c(C)c(C[N@H+]2CC[C@H]([NH3+])C2)c(C)c1C ZINC001235362774 979033437 /nfs/dbraw/zinc/03/34/37/979033437.db2.gz MWJGCCOWQQNFHN-HNNXBMFYSA-N 1 2 246.398 2.762 20 0 BFADLO CC1(C)CC[NH+](Cc2ncc(Cl)cn2)CC1 ZINC001235413600 979040261 /nfs/dbraw/zinc/04/02/61/979040261.db2.gz WRANBAVDEXMFSS-UHFFFAOYSA-N 1 2 239.750 2.752 20 0 BFADLO Cc1cc(F)c(C[NH+](C)C)c(Br)c1 ZINC001235459607 979049116 /nfs/dbraw/zinc/04/91/16/979049116.db2.gz FNGVKYRNFDHJHF-UHFFFAOYSA-N 1 2 246.123 2.958 20 0 BFADLO CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)OC ZINC001181454719 979108196 /nfs/dbraw/zinc/10/81/96/979108196.db2.gz FTBQCNGCINXAGV-GXTWGEPZSA-N 1 2 249.354 2.549 20 0 BFADLO C[N@@H+](Cc1nc2ccc(F)cc2[nH]1)CC1CC1 ZINC001235681959 979120021 /nfs/dbraw/zinc/12/00/21/979120021.db2.gz GFUVWMIQRPWAOQ-UHFFFAOYSA-N 1 2 233.290 2.544 20 0 BFADLO C[N@H+](Cc1nc2ccc(F)cc2[nH]1)CC1CC1 ZINC001235681959 979120029 /nfs/dbraw/zinc/12/00/29/979120029.db2.gz GFUVWMIQRPWAOQ-UHFFFAOYSA-N 1 2 233.290 2.544 20 0 BFADLO Cc1ccc(Nc2cncnc2C)c(C)[nH+]1 ZINC001203368303 979324078 /nfs/dbraw/zinc/32/40/78/979324078.db2.gz XKZFMTAYBZAPKJ-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Fc1ccc(C[NH+]2CCOCC2)c(CC2CC2)c1 ZINC001250037902 979470046 /nfs/dbraw/zinc/47/00/46/979470046.db2.gz PCRMLQOUCIBSNO-UHFFFAOYSA-N 1 2 249.329 2.610 20 0 BFADLO Cc1ccc(Nc2ncc(F)cc2O)c(C)[nH+]1 ZINC001203370384 979471808 /nfs/dbraw/zinc/47/18/08/979471808.db2.gz KZNKEXIEIHERAW-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO Cc1cc(F)c(F)cc1-c1ccc(N)[nH+]c1 ZINC001236313136 979520139 /nfs/dbraw/zinc/52/01/39/979520139.db2.gz HHEIYTFUXFTMRO-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Nc1ccc(-c2ccc(-c3cnco3)cc2)c[nH+]1 ZINC001236313704 979523346 /nfs/dbraw/zinc/52/33/46/979523346.db2.gz XJOYDJJTVMDCOQ-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CCOC(=O)c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236313784 979523524 /nfs/dbraw/zinc/52/35/24/979523524.db2.gz XUAOOHDKSOLRDT-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO Nc1ccc(-c2ccc3cnsc3c2)c[nH+]1 ZINC001236314800 979525981 /nfs/dbraw/zinc/52/59/81/979525981.db2.gz AIEGFZUMBWKAMG-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)OCCC3)c[nH+]1 ZINC001236317324 979529645 /nfs/dbraw/zinc/52/96/45/979529645.db2.gz SZTGFHQUZGOAGU-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO Nc1nc2ccc(-c3ccc(N)[nH+]c3)cc2s1 ZINC001236318680 979531616 /nfs/dbraw/zinc/53/16/16/979531616.db2.gz ZWYTVILESVNUBZ-UHFFFAOYSA-N 1 2 242.307 2.523 20 0 BFADLO COc1cc2[nH+]ccn2cc1C1=CCSCC1 ZINC001236367768 979562986 /nfs/dbraw/zinc/56/29/86/979562986.db2.gz FFZDCKGGLKVMRZ-UHFFFAOYSA-N 1 2 246.335 2.863 20 0 BFADLO CNc1cc(-c2ccc(C)c3n[nH]cc32)cc[nH+]1 ZINC001236503478 979614128 /nfs/dbraw/zinc/61/41/28/979614128.db2.gz QBYLUSLYKNTXLD-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236702568 979697158 /nfs/dbraw/zinc/69/71/58/979697158.db2.gz KCLMKBNMCIGGPP-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236702568 979697162 /nfs/dbraw/zinc/69/71/62/979697162.db2.gz KCLMKBNMCIGGPP-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO Fc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c2occc21 ZINC001236899921 979788468 /nfs/dbraw/zinc/78/84/68/979788468.db2.gz VNVYCHFTAKZURR-PHIMTYICSA-N 1 2 247.269 2.545 20 0 BFADLO Fc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c2occc21 ZINC001236899921 979788473 /nfs/dbraw/zinc/78/84/73/979788473.db2.gz VNVYCHFTAKZURR-PHIMTYICSA-N 1 2 247.269 2.545 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1ccccc1OC(C)(C)C ZINC001237022964 979804320 /nfs/dbraw/zinc/80/43/20/979804320.db2.gz MEYLNXMTTUOHPA-UHFFFAOYSA-N 1 2 249.354 2.885 20 0 BFADLO CC(=O)C[N@H+](C)Cc1ccccc1OC(C)(C)C ZINC001237022964 979804324 /nfs/dbraw/zinc/80/43/24/979804324.db2.gz MEYLNXMTTUOHPA-UHFFFAOYSA-N 1 2 249.354 2.885 20 0 BFADLO CC1C[NH+](Cc2ccncc2C(F)(F)F)C1 ZINC001237285335 979862055 /nfs/dbraw/zinc/86/20/55/979862055.db2.gz LNSDTGFSINQUOE-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001237317232 979863187 /nfs/dbraw/zinc/86/31/87/979863187.db2.gz JXCSFHIVOVPFOS-GFCCVEGCSA-N 1 2 249.329 2.853 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001237317232 979863192 /nfs/dbraw/zinc/86/31/92/979863192.db2.gz JXCSFHIVOVPFOS-GFCCVEGCSA-N 1 2 249.329 2.853 20 0 BFADLO Cc1coc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC001237632390 979977691 /nfs/dbraw/zinc/97/76/91/979977691.db2.gz CQXLBENLCQVVEV-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1coc(C[N@H+]2CCc3ccccc3C2)n1 ZINC001237632390 979977694 /nfs/dbraw/zinc/97/76/94/979977694.db2.gz CQXLBENLCQVVEV-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1coc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)n1 ZINC001237636264 979988625 /nfs/dbraw/zinc/98/86/25/979988625.db2.gz WUDQCUBOQIGBTA-VIFPVBQESA-N 1 2 248.248 2.552 20 0 BFADLO Cc1coc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)n1 ZINC001237636264 979988635 /nfs/dbraw/zinc/98/86/35/979988635.db2.gz WUDQCUBOQIGBTA-VIFPVBQESA-N 1 2 248.248 2.552 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2nc(C)co2)cc1 ZINC001237639593 979988994 /nfs/dbraw/zinc/98/89/94/979988994.db2.gz STEJAVXKRRPEFC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2nc(C)co2)cc1 ZINC001237639593 979989005 /nfs/dbraw/zinc/98/90/05/979989005.db2.gz STEJAVXKRRPEFC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC001237646710 980001088 /nfs/dbraw/zinc/00/10/88/980001088.db2.gz UKRLAPNIXFVWBT-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC001237646710 980001095 /nfs/dbraw/zinc/00/10/95/980001095.db2.gz UKRLAPNIXFVWBT-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001237658749 980020508 /nfs/dbraw/zinc/02/05/08/980020508.db2.gz KTKYPLAXDPKXMW-OAHLLOKOSA-N 1 2 241.338 2.919 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC001237658749 980020516 /nfs/dbraw/zinc/02/05/16/980020516.db2.gz KTKYPLAXDPKXMW-OAHLLOKOSA-N 1 2 241.338 2.919 20 0 BFADLO Cc1cnc(C[NH+]2CC3(C2)CCCCC3)nc1 ZINC001237808011 980053371 /nfs/dbraw/zinc/05/33/71/980053371.db2.gz MXRXFUBPZSIRQT-UHFFFAOYSA-N 1 2 231.343 2.551 20 0 BFADLO Cc1c(F)cccc1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC000073392018 980110485 /nfs/dbraw/zinc/11/04/85/980110485.db2.gz CMWMSAXULBGOLT-JTQLQIEISA-N 1 2 247.273 2.530 20 0 BFADLO CC(C)[N@H+](C)Cc1scnc1Br ZINC001238029490 980130352 /nfs/dbraw/zinc/13/03/52/980130352.db2.gz HOXOPHMHQQEJTN-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO CC(C)[N@@H+](C)Cc1scnc1Br ZINC001238029490 980130360 /nfs/dbraw/zinc/13/03/60/980130360.db2.gz HOXOPHMHQQEJTN-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO C[N@H+](Cc1cc(Cl)c(O)cc1F)C1CC1 ZINC001238143452 980172956 /nfs/dbraw/zinc/17/29/56/980172956.db2.gz MJSNJZVRNXFDSZ-UHFFFAOYSA-N 1 2 229.682 2.779 20 0 BFADLO C[N@@H+](Cc1cc(Cl)c(O)cc1F)C1CC1 ZINC001238143452 980172963 /nfs/dbraw/zinc/17/29/63/980172963.db2.gz MJSNJZVRNXFDSZ-UHFFFAOYSA-N 1 2 229.682 2.779 20 0 BFADLO Cc1ncncc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001238178256 980213322 /nfs/dbraw/zinc/21/33/22/980213322.db2.gz LYGCCOKRYZNUPH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncncc1C[N@H+](Cc1ccco1)C1CC1 ZINC001238178256 980213315 /nfs/dbraw/zinc/21/33/15/980213315.db2.gz LYGCCOKRYZNUPH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238182228 980214738 /nfs/dbraw/zinc/21/47/38/980214738.db2.gz QJSMEYOFAWIWEY-ZDUSSCGKSA-N 1 2 220.291 2.503 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238182228 980214746 /nfs/dbraw/zinc/21/47/46/980214746.db2.gz QJSMEYOFAWIWEY-ZDUSSCGKSA-N 1 2 220.291 2.503 20 0 BFADLO O=C1CCC[N@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001238184831 980215882 /nfs/dbraw/zinc/21/58/82/980215882.db2.gz NQKVHCWCKHQWIG-UHFFFAOYSA-N 1 2 244.338 2.514 20 0 BFADLO O=C1CCC[N@@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001238184831 980215885 /nfs/dbraw/zinc/21/58/85/980215885.db2.gz NQKVHCWCKHQWIG-UHFFFAOYSA-N 1 2 244.338 2.514 20 0 BFADLO CC(C)(COC(=O)C1=CCCCC1)n1cc[nH+]c1 ZINC001344110189 980349643 /nfs/dbraw/zinc/34/96/43/980349643.db2.gz NOHVWAXZWOWVLT-UHFFFAOYSA-N 1 2 248.326 2.662 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(C)cn2)c1 ZINC001203654403 980476318 /nfs/dbraw/zinc/47/63/18/980476318.db2.gz ISDUBHHZADYIDA-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(Cl)nc2)c1 ZINC001203654108 980480209 /nfs/dbraw/zinc/48/02/09/980480209.db2.gz DKEUCFDDQSSBEA-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]c(C)c(-n2cc(N)c3ncccc32)c1 ZINC001203655792 980493002 /nfs/dbraw/zinc/49/30/02/980493002.db2.gz AUKGECNOPVSERG-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccnn2CCF)c1 ZINC001203660805 980501857 /nfs/dbraw/zinc/50/18/57/980501857.db2.gz NGNBWMZGRSKXKX-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO Cc1ccc(-c2nc(NC3CC3)cc(C)[nH+]2)cc1 ZINC001239477702 980617793 /nfs/dbraw/zinc/61/77/93/980617793.db2.gz JBMJCUNDQXVIIJ-UHFFFAOYSA-N 1 2 239.322 2.757 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@]12C[C@H]1CCCC2 ZINC001345610141 980646266 /nfs/dbraw/zinc/64/62/66/980646266.db2.gz RAKQXLMOWWVELB-BXUZGUMPSA-N 1 2 248.326 2.527 20 0 BFADLO COc1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001239520789 980690778 /nfs/dbraw/zinc/69/07/78/980690778.db2.gz QCSRPAVPPLMJNB-UHFFFAOYSA-N 1 2 228.295 2.823 20 0 BFADLO CCOc1ccc(C)cc1CCn1cc[nH+]c1 ZINC001250316314 980748793 /nfs/dbraw/zinc/74/87/93/980748793.db2.gz IIRJYVORRNKIBZ-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO c1cc2c(cccc2CCn2cc[nH+]c2)[nH]1 ZINC001250315073 980753378 /nfs/dbraw/zinc/75/33/78/980753378.db2.gz CZHXDFYVZNGZPY-UHFFFAOYSA-N 1 2 211.268 2.607 20 0 BFADLO Cc1cc(F)cc(C)c1CCn1cc[nH+]c1 ZINC001250321123 980760924 /nfs/dbraw/zinc/76/09/24/980760924.db2.gz WWIPNXGVZSZIFQ-UHFFFAOYSA-N 1 2 218.275 2.882 20 0 BFADLO Cc1ccccc1C[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001203700263 980775225 /nfs/dbraw/zinc/77/52/25/980775225.db2.gz POOKETZIFPCSBW-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO Cc1ccccc1C[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001203700263 980775229 /nfs/dbraw/zinc/77/52/29/980775229.db2.gz POOKETZIFPCSBW-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO Cc1cc(C)c(CCC(=O)OC(C)(C)C)c[nH+]1 ZINC001250330960 980792342 /nfs/dbraw/zinc/79/23/42/980792342.db2.gz ZPUPSFYYWNAOAD-UHFFFAOYSA-N 1 2 235.327 2.973 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccncc1 ZINC001239610691 980807333 /nfs/dbraw/zinc/80/73/33/980807333.db2.gz BFCDVFOLJFJDFS-UHFFFAOYSA-N 1 2 225.251 2.634 20 0 BFADLO CC(=O)c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001239636097 980822627 /nfs/dbraw/zinc/82/26/27/980822627.db2.gz QCSDFYAWGQEQPT-UHFFFAOYSA-N 1 2 212.252 2.533 20 0 BFADLO c1cn(-c2cc[nH+]c(-c3ccoc3)c2)cn1 ZINC001239688474 980845526 /nfs/dbraw/zinc/84/55/26/980845526.db2.gz DFFKFPXYJMFFGC-UHFFFAOYSA-N 1 2 211.224 2.527 20 0 BFADLO CCOc1nccc(C[N@@H+]2CC[C@H]2C)c1Cl ZINC001250368941 980868994 /nfs/dbraw/zinc/86/89/94/980868994.db2.gz GYHVBTBTKRNNEG-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO CCn1cc(C[N@@H+]2Cc3cccc(C)c3C2)cn1 ZINC001205513292 980869847 /nfs/dbraw/zinc/86/98/47/980869847.db2.gz FAODGLWJGSOFBD-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1cc(C[N@H+]2Cc3cccc(C)c3C2)cn1 ZINC001205513292 980869852 /nfs/dbraw/zinc/86/98/52/980869852.db2.gz FAODGLWJGSOFBD-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2C)cn1 ZINC001239727599 980880331 /nfs/dbraw/zinc/88/03/31/980880331.db2.gz KRUIHGXVTZTFGS-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COC(=[NH2+])c1cccc(-c2ccc(OC)nc2)c1 ZINC001239728584 980881693 /nfs/dbraw/zinc/88/16/93/980881693.db2.gz NUJLDNFZUGLJIO-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO CNc1cc(-c2cccc(C(=O)OC)c2)cc[nH+]1 ZINC001239733624 980883371 /nfs/dbraw/zinc/88/33/71/980883371.db2.gz IVIWUYWLQCFUCP-UHFFFAOYSA-N 1 2 242.278 2.577 20 0 BFADLO c1cn(Cc2ccc(C3=CCCC3)nc2)c[nH+]1 ZINC001239786915 980919467 /nfs/dbraw/zinc/91/94/67/980919467.db2.gz SMLSHXHSSSTMET-UHFFFAOYSA-N 1 2 225.295 2.894 20 0 BFADLO COc1cc2[nH+]ccn2cc1C1=CCCC1 ZINC001239788677 980923234 /nfs/dbraw/zinc/92/32/34/980923234.db2.gz GICLBVCOZFTDGP-UHFFFAOYSA-N 1 2 214.268 2.910 20 0 BFADLO c1cn2ccc(-c3ccc4c(c3)CCO4)cc2[nH+]1 ZINC001239803982 980942115 /nfs/dbraw/zinc/94/21/15/980942115.db2.gz AEBWPRKIESXLJZ-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO COc1cccc(/C(C)=C/C=C/[NH3+])c1OC ZINC001239817010 980959917 /nfs/dbraw/zinc/95/99/17/980959917.db2.gz ORPHVUSDMMPBOJ-NXZHAISVSA-N 1 2 219.284 2.580 20 0 BFADLO c1cn2cccc(-c3ccc4cncnc4c3)c2[nH+]1 ZINC001239986368 981086399 /nfs/dbraw/zinc/08/63/99/981086399.db2.gz RRKARLMQQXTDAC-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1cn2c(cccc2-c2c(C)n[nH]c2C)[nH+]1 ZINC001240125309 981122203 /nfs/dbraw/zinc/12/22/03/981122203.db2.gz YZQQJHMCLNZPGF-UHFFFAOYSA-N 1 2 226.283 2.650 20 0 BFADLO Cc1n[nH]c(C)c1-c1cn2cc[nH+]c2cc1C ZINC001240126087 981123680 /nfs/dbraw/zinc/12/36/80/981123680.db2.gz ZKVINGWQPKTLTD-UHFFFAOYSA-N 1 2 226.283 2.650 20 0 BFADLO CN(C)c1cc(-c2ccc3n[nH]cc3c2)cc[nH+]1 ZINC001240211887 981159071 /nfs/dbraw/zinc/15/90/71/981159071.db2.gz WNDYGWYVTLSOFB-UHFFFAOYSA-N 1 2 238.294 2.691 20 0 BFADLO CCc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001240214293 981161547 /nfs/dbraw/zinc/16/15/47/981161547.db2.gz LTSPXTSEVYKMDF-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Fc1cc(-c2ccc3[nH+]ccn3c2)cnc1F ZINC001240217439 981165680 /nfs/dbraw/zinc/16/56/80/981165680.db2.gz CZTMMOKWHZFRCC-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO CSc1cncc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240217318 981167253 /nfs/dbraw/zinc/16/72/53/981167253.db2.gz MNZKOOGIXSVFKK-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO c1cn2cc(-c3ccc4nnccc4c3)ccc2[nH+]1 ZINC001240219738 981168973 /nfs/dbraw/zinc/16/89/73/981168973.db2.gz TUTYIUBVGNZKFF-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1cc(-c2ccc3nccn3c2)cn2cc[nH+]c12 ZINC001240219564 981170549 /nfs/dbraw/zinc/17/05/49/981170549.db2.gz NOSOMDXHBLXGMF-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO c1cn2cc(-c3ccc4ccnnc4c3)ccc2[nH+]1 ZINC001240218565 981171517 /nfs/dbraw/zinc/17/15/17/981171517.db2.gz FIWCCTVZWLEZJU-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Oc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240219190 981171526 /nfs/dbraw/zinc/17/15/26/981171526.db2.gz DYROKYHUVYJVLH-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)c(F)n1 ZINC001240219515 981171944 /nfs/dbraw/zinc/17/19/44/981171944.db2.gz LHBUFFBYRNCNGO-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cn1cnc2cccc(-c3ccc4[nH+]ccn4c3)c21 ZINC001240221376 981176025 /nfs/dbraw/zinc/17/60/25/981176025.db2.gz RMNIVUIIGSQHDM-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1ccc(-c2cccc3[nH+]ccn32)cn1 ZINC001240223480 981179899 /nfs/dbraw/zinc/17/98/99/981179899.db2.gz RZLVUMVEGZSZOQ-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1ccc(N2CCC[C@H]2C2CCC2)[nH+]c1 ZINC001347981643 981234674 /nfs/dbraw/zinc/23/46/74/981234674.db2.gz WLSWNHASNSAWRX-LBPRGKRZSA-N 1 2 202.301 2.851 20 0 BFADLO CCc1ccc(N(C)Cc2ccc(O)cc2)[nH+]c1 ZINC001348062892 981268919 /nfs/dbraw/zinc/26/89/19/981268919.db2.gz KETNZNZEOWHEGR-UHFFFAOYSA-N 1 2 242.322 2.986 20 0 BFADLO CCc1ccc(N2CC[C@H](C)[C@@H](F)C2)[nH+]c1 ZINC001348074287 981271279 /nfs/dbraw/zinc/27/12/79/981271279.db2.gz SJLXAWNFOLCYNA-JQWIXIFHSA-N 1 2 222.307 2.828 20 0 BFADLO Cc1cc(-c2ccc3ncn(C)c3c2)c[nH+]c1N ZINC001240319961 981293062 /nfs/dbraw/zinc/29/30/62/981293062.db2.gz CQRFPYHMTSEPCP-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CC(C)(O)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001240406296 981356937 /nfs/dbraw/zinc/35/69/37/981356937.db2.gz HBTZJFOTLPKWTP-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO Cc1ccc(-c2cccc(C(C)(C)O)c2)[nH+]c1N ZINC001240406155 981357540 /nfs/dbraw/zinc/35/75/40/981357540.db2.gz UNSZCKCMSHMNIE-UHFFFAOYSA-N 1 2 242.322 2.867 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnn(CCC(C)C)c1 ZINC001240417678 981365332 /nfs/dbraw/zinc/36/53/32/981365332.db2.gz HNYUUGCZBWEZGW-WICBUYNWSA-N 1 2 219.332 2.805 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)OC1CCCC1 ZINC001193529418 981372501 /nfs/dbraw/zinc/37/25/01/981372501.db2.gz WURPCJYSRWFCTL-UHFFFAOYSA-N 1 2 245.282 2.825 20 0 BFADLO Cc1cc2cc(-c3c[nH+]c(N)c(C)c3)cnc2[nH]1 ZINC001240489345 981412060 /nfs/dbraw/zinc/41/20/60/981412060.db2.gz CMCRAPYIFNOPTO-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO c1cn2ccc(-c3ncnc4occc43)cc2[nH+]1 ZINC001240496190 981416124 /nfs/dbraw/zinc/41/61/24/981416124.db2.gz KEAIVCGFVWVLKX-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)ncc1F ZINC001240496388 981417251 /nfs/dbraw/zinc/41/72/51/981417251.db2.gz NDIUUFNXIHPMGJ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCCc1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496324 981417464 /nfs/dbraw/zinc/41/74/64/981417464.db2.gz AXROGJWBUZZOKA-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Fc1ccncc1-c1ccn2cc[nH+]c2c1 ZINC001240508525 981420882 /nfs/dbraw/zinc/42/08/82/981420882.db2.gz AWSONJRAPBIHHS-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)ccc1N ZINC001240504029 981429858 /nfs/dbraw/zinc/42/98/58/981429858.db2.gz UXBPCOQTHGISTG-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)cc(F)n1 ZINC001240503186 981430271 /nfs/dbraw/zinc/43/02/71/981430271.db2.gz JOTHVZUAYYREKF-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240508531 981432194 /nfs/dbraw/zinc/43/21/94/981432194.db2.gz BEQDKNGUODMSBK-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cc1cn2cc(-c3ccn4cc[nH+]c4c3)ccc2n1 ZINC001240508852 981432926 /nfs/dbraw/zinc/43/29/26/981432926.db2.gz MOCKGRREQVWCSX-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)c(F)n1 ZINC001240508637 981433485 /nfs/dbraw/zinc/43/34/85/981433485.db2.gz GSRPJHSSTIQISS-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCc1ccc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240508888 981434075 /nfs/dbraw/zinc/43/40/75/981434075.db2.gz ODAIFVBEJRAOAN-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO CSc1cnc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240510602 981436811 /nfs/dbraw/zinc/43/68/11/981436811.db2.gz OLAQPSJAGFSKBT-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Cc1cc(-c2ccn3ccnc3c2)cn2cc[nH+]c12 ZINC001240510734 981437316 /nfs/dbraw/zinc/43/73/16/981437316.db2.gz QFRXYJHXVVCUKM-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Nc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240513616 981438979 /nfs/dbraw/zinc/43/89/79/981438979.db2.gz WMAVMNAESBICBZ-UHFFFAOYSA-N 1 2 209.252 2.584 20 0 BFADLO c1cn2c(cccc2-c2cnn(CC3CC3)c2)[nH+]1 ZINC001240513751 981439296 /nfs/dbraw/zinc/43/92/96/981439296.db2.gz CKXHTIGXSZBJFZ-UHFFFAOYSA-N 1 2 238.294 2.608 20 0 BFADLO c1cn2ccc(-c3ccc4c(c3)NCC4)cc2[nH+]1 ZINC001240517998 981446825 /nfs/dbraw/zinc/44/68/25/981446825.db2.gz KHTYWOLQHISSOU-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO c1cn2cc(-c3ccc4c[nH]nc4c3)ccc2[nH+]1 ZINC001240557169 981477146 /nfs/dbraw/zinc/47/71/46/981477146.db2.gz QXNRZLLVHWZLTB-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)sn1 ZINC001193860712 981486395 /nfs/dbraw/zinc/48/63/95/981486395.db2.gz UJDOSAUJDCFKTF-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)sn1 ZINC001193860712 981486399 /nfs/dbraw/zinc/48/63/99/981486399.db2.gz UJDOSAUJDCFKTF-LBPRGKRZSA-N 1 2 248.355 2.512 20 0 BFADLO CC(C)=Cc1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001240635024 981527963 /nfs/dbraw/zinc/52/79/63/981527963.db2.gz VIEPDFAXGXPIOH-UHFFFAOYSA-N 1 2 232.327 2.650 20 0 BFADLO Cc1cc(-c2ccc(O)cc2C)c[nH+]c1N ZINC001240644297 981537662 /nfs/dbraw/zinc/53/76/62/981537662.db2.gz JLGDTQGOMVPWSK-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CC[C@H](C)C1 ZINC001349792375 981743931 /nfs/dbraw/zinc/74/39/31/981743931.db2.gz VSJGIUDUYKMBMZ-BNDQCTAISA-N 1 2 244.338 2.805 20 0 BFADLO CCCCCC(=O)Nc1c(C)c[nH+]cc1C ZINC001349791689 981745240 /nfs/dbraw/zinc/74/52/40/981745240.db2.gz MBSBWRZAARPQNR-UHFFFAOYSA-N 1 2 220.316 2.639 20 0 BFADLO Cc1ccc(-c2ccc3c(c2)CCCO3)[nH+]c1N ZINC001240772883 981817320 /nfs/dbraw/zinc/81/73/20/981817320.db2.gz QERKKPFJFAQGKX-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO C[C@@H]1CCCC[C@H]1Cc1nnc(C[NH+](C)C)o1 ZINC001349948227 981824454 /nfs/dbraw/zinc/82/44/54/981824454.db2.gz WVEXZWKKAZELMJ-MNOVXSKESA-N 1 2 237.347 2.500 20 0 BFADLO Cc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)cc1 ZINC001584250678 981861626 /nfs/dbraw/zinc/86/16/26/981861626.db2.gz JUQZWQGEZMDNIU-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO CC[C@@H](C)COC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001194763598 981891654 /nfs/dbraw/zinc/89/16/54/981891654.db2.gz OFPPRBDMCUXMQV-SNVBAGLBSA-N 1 2 247.298 2.929 20 0 BFADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cnon2)c1 ZINC001350371162 981949998 /nfs/dbraw/zinc/94/99/98/981949998.db2.gz JFSXWSZQSSLISU-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CN(C)c1cc(-c2ccc3c(c2)OCO3)cc[nH+]1 ZINC001240901812 981953466 /nfs/dbraw/zinc/95/34/66/981953466.db2.gz YCXHJGUYWOZRNK-UHFFFAOYSA-N 1 2 242.278 2.543 20 0 BFADLO CNc1cc(-c2ccc(COC)cc2)cc[nH+]1 ZINC001240952944 982023514 /nfs/dbraw/zinc/02/35/14/982023514.db2.gz KCSALNBECLFMNB-UHFFFAOYSA-N 1 2 228.295 2.937 20 0 BFADLO Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1N ZINC001240962329 982037921 /nfs/dbraw/zinc/03/79/21/982037921.db2.gz NTRDQUYLYXWBHU-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Cc1ccc(NC(=O)Cc2c[nH]c[nH+]2)c(Cl)c1 ZINC001587102301 982046591 /nfs/dbraw/zinc/04/65/91/982046591.db2.gz UGWPHLVLCKHMMF-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO COc1cccc(F)c1/C(C)=C/C=C/[NH3+] ZINC001241010800 982103794 /nfs/dbraw/zinc/10/37/94/982103794.db2.gz HVATXMVNXNUMGA-KBXRYBNXSA-N 1 2 207.248 2.710 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)ccc1C ZINC001241033263 982130483 /nfs/dbraw/zinc/13/04/83/982130483.db2.gz JTEBSOGIHXIJCW-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CCOc1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241086284 982200607 /nfs/dbraw/zinc/20/06/07/982200607.db2.gz MSXISVGFPVZJQG-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO CCOc1ccc(F)cc1-c1ccc[nH+]c1N ZINC001241102855 982208714 /nfs/dbraw/zinc/20/87/14/982208714.db2.gz DMHITHXSYUDXJK-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Nc1cc(-c2cc(F)ncc2C2CC2)cc[nH+]1 ZINC001241162358 982302598 /nfs/dbraw/zinc/30/25/98/982302598.db2.gz FXYOMCSUBWDXKG-UHFFFAOYSA-N 1 2 229.258 2.742 20 0 BFADLO Nc1cc(-c2ccc(-c3ccccn3)nc2)cc[nH+]1 ZINC001241163214 982304371 /nfs/dbraw/zinc/30/43/71/982304371.db2.gz QUSXSEGJOTYFAF-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Nc1cc(-c2ccc(-c3ccno3)cc2)cc[nH+]1 ZINC001241162788 982304666 /nfs/dbraw/zinc/30/46/66/982304666.db2.gz MBXYNBDZWLBSBU-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Cc1[nH]c2ncc(-c3cc[nH+]c(N)c3)cc2c1C ZINC001241170210 982319168 /nfs/dbraw/zinc/31/91/68/982319168.db2.gz XVKJIYODDUFNMP-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCOC(=O)c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241170492 982319912 /nfs/dbraw/zinc/31/99/12/982319912.db2.gz KUDIFAMFFCHPSZ-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO Nc1cc(-c2ccnc(-c3ccccn3)c2)cc[nH+]1 ZINC001241170908 982322656 /nfs/dbraw/zinc/32/26/56/982322656.db2.gz XFOZIKNKQLBIFK-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO COc1cc(-c2cc[nH+]c(N)c2)cc(C)c1F ZINC001241175416 982324083 /nfs/dbraw/zinc/32/40/83/982324083.db2.gz AWURERXOZPRRDK-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Nc1cc(-c2cccc3c2CCCO3)cc[nH+]1 ZINC001241176037 982326530 /nfs/dbraw/zinc/32/65/30/982326530.db2.gz RIACPAVWIJTVFI-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO CC(=O)c1ccccc1C(C)=CC=C[NH3+] ZINC001241205146 982352965 /nfs/dbraw/zinc/35/29/65/982352965.db2.gz WSLJERURQLHDBQ-NXZHAISVSA-N 1 2 201.269 2.765 20 0 BFADLO c1cn2cccc(-c3ccc4c(c3)OCC4)c2[nH+]1 ZINC001241216948 982358220 /nfs/dbraw/zinc/35/82/20/982358220.db2.gz UZQFDAJDQHBMCP-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO Fc1cnccc1-c1cc2[nH]ccc2c[nH+]1 ZINC001241222258 982361664 /nfs/dbraw/zinc/36/16/64/982361664.db2.gz CGMZWBWZSXRVKM-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO Cc1ncc(C)c(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241227872 982375621 /nfs/dbraw/zinc/37/56/21/982375621.db2.gz FFSLCCGWDJMPJC-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ncc(F)cc1C ZINC001241228803 982379845 /nfs/dbraw/zinc/37/98/45/982379845.db2.gz QQYVWUWUTPOMFY-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cnc(C)c(C)n1 ZINC001241229165 982381114 /nfs/dbraw/zinc/38/11/14/982381114.db2.gz YXXJMEVFDCXAIU-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)ncc1F ZINC001241228526 982382098 /nfs/dbraw/zinc/38/20/98/982382098.db2.gz OUOMIWKJZHTYID-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(F)n1 ZINC001241242677 982384941 /nfs/dbraw/zinc/38/49/41/982384941.db2.gz JBXNIVSVYCIMLP-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cncc(F)c1C ZINC001241248382 982389575 /nfs/dbraw/zinc/38/95/75/982389575.db2.gz IHCHEJUZNUJVFK-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO CC(=O)c1ccc(F)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001241301280 982444600 /nfs/dbraw/zinc/44/46/00/982444600.db2.gz SQRLWXXLGVPBJX-UHFFFAOYSA-N 1 2 244.269 2.981 20 0 BFADLO Cn1ncc2c1cccc2-c1ccc2[nH+]ccn2c1 ZINC001241449373 982601116 /nfs/dbraw/zinc/60/11/16/982601116.db2.gz VBTVNDQCUCMVFN-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC001352863391 982607297 /nfs/dbraw/zinc/60/72/97/982607297.db2.gz OWNVCMXMHRCFHN-UHFFFAOYSA-N 1 2 247.367 2.780 20 0 BFADLO Cc1cn2cc(-c3ccc(CO)cc3)ccc2[nH+]1 ZINC001241557942 982782613 /nfs/dbraw/zinc/78/26/13/982782613.db2.gz BFMBRAYCBVBXNY-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc(CO)cc1 ZINC001241558930 982786229 /nfs/dbraw/zinc/78/62/29/982786229.db2.gz IKOSRLPIKZMKSV-UHFFFAOYSA-N 1 2 213.280 2.858 20 0 BFADLO COC(=O)[C@@H]([NH3+])c1ccc(/C=C/C(C)(C)C)cc1 ZINC001241565153 982806153 /nfs/dbraw/zinc/80/61/53/982806153.db2.gz ZZONALYHKXOAJQ-LXKVQUBZSA-N 1 2 247.338 2.919 20 0 BFADLO C[N@@H+]1CCC=C(c2cc(F)c(F)c(F)c2F)C1 ZINC001241569468 982815983 /nfs/dbraw/zinc/81/59/83/982815983.db2.gz ATAKFULRSIIULO-UHFFFAOYSA-N 1 2 245.219 2.962 20 0 BFADLO C[N@H+]1CCC=C(c2cc(F)c(F)c(F)c2F)C1 ZINC001241569468 982815987 /nfs/dbraw/zinc/81/59/87/982815987.db2.gz ATAKFULRSIIULO-UHFFFAOYSA-N 1 2 245.219 2.962 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2)CCC1=O ZINC001203913412 982827007 /nfs/dbraw/zinc/82/70/07/982827007.db2.gz YYSSETFREPLAHQ-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)CCC1=O ZINC001203913412 982827009 /nfs/dbraw/zinc/82/70/09/982827009.db2.gz YYSSETFREPLAHQ-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO Cn1cc2ccc(-c3cccn4cc[nH+]c34)cc2n1 ZINC001241599698 982839018 /nfs/dbraw/zinc/83/90/18/982839018.db2.gz NEBGTCGTJPFBAC-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO c1cn2cc(-c3cccc4c[nH]nc43)ccc2[nH+]1 ZINC001241622929 982859591 /nfs/dbraw/zinc/85/95/91/982859591.db2.gz KRZMOXLKTXVRDF-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1ccc(C)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001241674646 982923589 /nfs/dbraw/zinc/92/35/89/982923589.db2.gz LKCCVMGMKYNHOQ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Fc1ccc(-c2cc3[nH]ccc3c[nH+]2)nc1 ZINC001241801534 983057598 /nfs/dbraw/zinc/05/75/98/983057598.db2.gz ADVWYAJBCXNWNC-UHFFFAOYSA-N 1 2 213.215 2.764 20 0 BFADLO Nc1cc(-c2ccc3scnc3c2)cc[nH+]1 ZINC001241867381 983088511 /nfs/dbraw/zinc/08/85/11/983088511.db2.gz YNJZKYAGAVPNJW-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO COc1cc(Cl)ccc1-c1ccc[nH+]c1N ZINC001241896315 983112679 /nfs/dbraw/zinc/11/26/79/983112679.db2.gz MDRCASNATSRTQZ-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO COc1ccc(-c2c(C)cc[nH+]c2C)cc1CO ZINC001241930778 983145213 /nfs/dbraw/zinc/14/52/13/983145213.db2.gz KLEIOGBJMHUPTH-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO CCO[C@@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001354089364 983146905 /nfs/dbraw/zinc/14/69/05/983146905.db2.gz JKZPQGXZRCPRNY-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO c1cc2c[nH+]cc(-c3ccc4[nH]nnc4c3)c2[nH]1 ZINC001241940249 983155307 /nfs/dbraw/zinc/15/53/07/983155307.db2.gz AIWSGOGBPPRYRL-UHFFFAOYSA-N 1 2 235.250 2.501 20 0 BFADLO c1cc2c[nH+]cc(-c3ccc4nn[nH]c4c3)c2[nH]1 ZINC001241940249 983155311 /nfs/dbraw/zinc/15/53/11/983155311.db2.gz AIWSGOGBPPRYRL-UHFFFAOYSA-N 1 2 235.250 2.501 20 0 BFADLO Nc1ccc(Nc2ccc(C(F)F)cn2)c[nH+]1 ZINC001201279535 983157954 /nfs/dbraw/zinc/15/79/54/983157954.db2.gz QILRVKDHNMEULW-UHFFFAOYSA-N 1 2 236.225 2.740 20 0 BFADLO COc1cccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001201285549 983161550 /nfs/dbraw/zinc/16/15/50/983161550.db2.gz KTGVLVLPVAKHII-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO CC(=O)c1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201286832 983163488 /nfs/dbraw/zinc/16/34/88/983163488.db2.gz CJNAYTREMJOOKQ-UHFFFAOYSA-N 1 2 227.267 2.610 20 0 BFADLO Cc1cc(C)c(-c2ccc3n[nH]nc3c2)c(C)[nH+]1 ZINC001241943869 983163811 /nfs/dbraw/zinc/16/38/11/983163811.db2.gz BDYOZHMEJLZALM-UHFFFAOYSA-N 1 2 238.294 2.945 20 0 BFADLO CCOC[C@@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001354120239 983164555 /nfs/dbraw/zinc/16/45/55/983164555.db2.gz KXPSXCKIGHDVKW-CYBMUJFWSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1cc(F)c(Nc2ccc(N)[nH+]c2)cc1O ZINC001201291745 983169670 /nfs/dbraw/zinc/16/96/70/983169670.db2.gz AUTYWYOTMWWBMR-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Nc1ccc(Nc2cccc(Cl)c2CO)c[nH+]1 ZINC001201291801 983170288 /nfs/dbraw/zinc/17/02/88/983170288.db2.gz CPQBIJKJWPLKKB-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1ccnc(Cl)c1Nc1ccc(N)[nH+]c1 ZINC001201272366 983171836 /nfs/dbraw/zinc/17/18/36/983171836.db2.gz LNEVGOMFYMXAGR-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cnc(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201278269 983178551 /nfs/dbraw/zinc/17/85/51/983178551.db2.gz GZYIPEYEYGNZBB-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cnoc2)cc1 ZINC001203246599 983181740 /nfs/dbraw/zinc/18/17/40/983181740.db2.gz MCAURWQWVYAWLN-UHFFFAOYSA-N 1 2 217.272 2.874 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cnoc2)cc1 ZINC001203246599 983181744 /nfs/dbraw/zinc/18/17/44/983181744.db2.gz MCAURWQWVYAWLN-UHFFFAOYSA-N 1 2 217.272 2.874 20 0 BFADLO Nc1ccc(Nc2ccc(CO)cc2Cl)c[nH+]1 ZINC001201300909 983182184 /nfs/dbraw/zinc/18/21/84/983182184.db2.gz ZEBFNVABCHOTFM-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1cc(-c2ccc(C(N)=O)c(C)c2)cc(C)[nH+]1 ZINC001241993624 983188920 /nfs/dbraw/zinc/18/89/20/983188920.db2.gz MNNUDAFUBHQCDF-UHFFFAOYSA-N 1 2 240.306 2.773 20 0 BFADLO COc1cc(NC2=CCSCC2)cc(C)[nH+]1 ZINC001201333020 983189846 /nfs/dbraw/zinc/18/98/46/983189846.db2.gz IWNDIKUEHYMGGK-UHFFFAOYSA-N 1 2 236.340 2.831 20 0 BFADLO CCOc1ccc(-c2[nH]cc[nH+]2)c(C)c1 ZINC001242019032 983223349 /nfs/dbraw/zinc/22/33/49/983223349.db2.gz WLMKGFMYSLBQRQ-UHFFFAOYSA-N 1 2 202.257 2.784 20 0 BFADLO C[NH+](C)C/C(Br)=C/c1ccccc1 ZINC001201446867 983248751 /nfs/dbraw/zinc/24/87/51/983248751.db2.gz JMTYPENYJVFTIK-FLIBITNWSA-N 1 2 240.144 2.984 20 0 BFADLO CC(C)=CCC[C@H](C)C[N@@H+]1CCC(=O)C1 ZINC001201490406 983260392 /nfs/dbraw/zinc/26/03/92/983260392.db2.gz KKBPHLGNHWTRMJ-LBPRGKRZSA-N 1 2 209.333 2.644 20 0 BFADLO CC(C)=CCC[C@H](C)C[N@H+]1CCC(=O)C1 ZINC001201490406 983260399 /nfs/dbraw/zinc/26/03/99/983260399.db2.gz KKBPHLGNHWTRMJ-LBPRGKRZSA-N 1 2 209.333 2.644 20 0 BFADLO COc1ccncc1-c1ccc2[nH+]ccn2c1C ZINC001242060520 983274316 /nfs/dbraw/zinc/27/43/16/983274316.db2.gz XZDAGKDAFRBTQA-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ncc(C(C)C)cn1 ZINC001242071296 983304829 /nfs/dbraw/zinc/30/48/29/983304829.db2.gz ZEUVQYCDHOMPSQ-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2ccn(C)c21 ZINC001242078005 983325351 /nfs/dbraw/zinc/32/53/51/983325351.db2.gz OVCSECXLEPGYKT-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO COc1cc(C)[nH+]cc1-c1c(C)noc1C ZINC001242108287 983355454 /nfs/dbraw/zinc/35/54/54/983355454.db2.gz IUWPGCNMCHYUKU-UHFFFAOYSA-N 1 2 218.256 2.670 20 0 BFADLO CCOc1cc(Nc2cncc(O)c2)cc(C)[nH+]1 ZINC001201632448 983357561 /nfs/dbraw/zinc/35/75/61/983357561.db2.gz DHWDMWRLVPRUFH-UHFFFAOYSA-N 1 2 245.282 2.633 20 0 BFADLO CSc1cc(Nc2cncc(O)c2)cc[nH+]1 ZINC001201635791 983366176 /nfs/dbraw/zinc/36/61/76/983366176.db2.gz KCEVUYMKBYCCOD-UHFFFAOYSA-N 1 2 233.296 2.648 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(O)c(C(F)(F)F)c1 ZINC001242158283 983382875 /nfs/dbraw/zinc/38/28/75/983382875.db2.gz WLEMBPSBCBYLIA-UHFFFAOYSA-N 1 2 242.200 2.812 20 0 BFADLO CSCCC[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201682038 983395684 /nfs/dbraw/zinc/39/56/84/983395684.db2.gz LWZVICXPTGAIRY-SECBINFHSA-N 1 2 241.322 2.666 20 0 BFADLO CSCCC[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201682038 983395689 /nfs/dbraw/zinc/39/56/89/983395689.db2.gz LWZVICXPTGAIRY-SECBINFHSA-N 1 2 241.322 2.666 20 0 BFADLO CCCCCC[N@@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201743078 983442649 /nfs/dbraw/zinc/44/26/49/983442649.db2.gz JMWJMVKMHCABJF-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO CCCCCC[N@H+]1C[C@@H](CO)CC(F)(F)C1 ZINC001201743078 983442658 /nfs/dbraw/zinc/44/26/58/983442658.db2.gz JMWJMVKMHCABJF-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO COc1ccc(C(C)=O)cc1-c1ccc[nH+]c1N ZINC001242266793 983488592 /nfs/dbraw/zinc/48/85/92/983488592.db2.gz BONFGBXTMJKWQM-UHFFFAOYSA-N 1 2 242.278 2.542 20 0 BFADLO CC(=CC=C[NH3+])c1cc2c[nH]nc2cc1C ZINC001242283208 983505373 /nfs/dbraw/zinc/50/53/73/983505373.db2.gz LIEQVULYWBOSHY-BMVOEDMYSA-N 1 2 213.284 2.747 20 0 BFADLO Cc1nc2c(s1)C[N@H+](CC1CCCC1)C2 ZINC001202189960 983593346 /nfs/dbraw/zinc/59/33/46/983593346.db2.gz HMASBOGGVLUWEA-UHFFFAOYSA-N 1 2 222.357 2.957 20 0 BFADLO Cc1nc2c(s1)C[N@@H+](CC1CCCC1)C2 ZINC001202189960 983593360 /nfs/dbraw/zinc/59/33/60/983593360.db2.gz HMASBOGGVLUWEA-UHFFFAOYSA-N 1 2 222.357 2.957 20 0 BFADLO Cc1cccc(-c2ccn3cc(N)[nH+]c3c2)c1O ZINC001242346122 983601864 /nfs/dbraw/zinc/60/18/64/983601864.db2.gz PCIYPZLGMOBDOR-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO Cc1cccc(-c2c[nH+]c3c(c2)CCCN3)c1O ZINC001242348928 983610614 /nfs/dbraw/zinc/61/06/14/983610614.db2.gz ZXFDCXGSGOWSJC-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO FC(F)(F)CCC[NH+]1CC2(C1)CCCCO2 ZINC001202378372 983644727 /nfs/dbraw/zinc/64/47/27/983644727.db2.gz XKSLPTIDYDBOEF-UHFFFAOYSA-N 1 2 237.265 2.584 20 0 BFADLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)c(C)o1 ZINC001242407233 983704583 /nfs/dbraw/zinc/70/45/83/983704583.db2.gz HZWCMILCWQRIEU-UHFFFAOYSA-N 1 2 228.295 2.959 20 0 BFADLO O=C(CCCF)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001357549891 983738186 /nfs/dbraw/zinc/73/81/86/983738186.db2.gz XDFLNSHUHDNOGV-UHFFFAOYSA-N 1 2 247.273 2.561 20 0 BFADLO CCc1ncccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001242524387 983845150 /nfs/dbraw/zinc/84/51/50/983845150.db2.gz JMROBPVUSSIEON-UHFFFAOYSA-N 1 2 239.322 2.707 20 0 BFADLO CCCc1ncc(C[NH2+][C@H](C)c2ccccn2)o1 ZINC001474520829 983907232 /nfs/dbraw/zinc/90/72/32/983907232.db2.gz KVLMSVBQKVFTHZ-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO Cc1ccc(-c2ccc3ocnc3c2)[nH+]c1N ZINC001242595623 983925697 /nfs/dbraw/zinc/92/56/97/983925697.db2.gz LIHWMMYNVVIRJR-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1c(C)cccc1C ZINC001137084992 983935036 /nfs/dbraw/zinc/93/50/36/983935036.db2.gz MONHIPJUNCHQIZ-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO Cc1oncc1-c1ccccc1Cn1cc[nH+]c1 ZINC001242602109 983953591 /nfs/dbraw/zinc/95/35/91/983953591.db2.gz APMNMCQJUTUXEP-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO Cc1cccc(-c2ccc3[nH+]ccn3c2)n1 ZINC000201656311 983996551 /nfs/dbraw/zinc/99/65/51/983996551.db2.gz WNLRIBHFUZLSPF-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1ccc(-c2ccc([C@@H](C)O)cc2)[nH+]c1N ZINC001242645189 984014173 /nfs/dbraw/zinc/01/41/73/984014173.db2.gz VMYQBMPTVJXBEX-SNVBAGLBSA-N 1 2 228.295 2.693 20 0 BFADLO CCOc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001242658983 984029468 /nfs/dbraw/zinc/02/94/68/984029468.db2.gz YAWXCOQLYLNQKA-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO C/C=C(\C)c1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001242758282 984118725 /nfs/dbraw/zinc/11/87/25/984118725.db2.gz KEUFJVZMKMEISQ-NYYWCZLTSA-N 1 2 232.327 2.650 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc[nH]2)no1 ZINC001204006082 984138542 /nfs/dbraw/zinc/13/85/42/984138542.db2.gz HKCMUBMPZOTOMI-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc[nH]2)no1 ZINC001204006082 984138557 /nfs/dbraw/zinc/13/85/57/984138557.db2.gz HKCMUBMPZOTOMI-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO CCCCC[C@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001253525317 984194433 /nfs/dbraw/zinc/19/44/33/984194433.db2.gz MOKZHRCDMPBDBM-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001253525317 984194434 /nfs/dbraw/zinc/19/44/34/984194434.db2.gz MOKZHRCDMPBDBM-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CN(C)c1cc(-c2cnc3[nH]ccc3c2)cc[nH+]1 ZINC001240391881 984270622 /nfs/dbraw/zinc/27/06/22/984270622.db2.gz UDGKNXQOOHLUPG-UHFFFAOYSA-N 1 2 238.294 2.643 20 0 BFADLO Cc1c(F)nccc1Nc1ccn2cc[nH+]c2c1 ZINC001212841888 984276217 /nfs/dbraw/zinc/27/62/17/984276217.db2.gz RZUIJZMHXOUWAB-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO COc1ncc(/C(C)=C/C=C/[NH3+])cc1Cl ZINC001242933190 984303699 /nfs/dbraw/zinc/30/36/99/984303699.db2.gz ZVEFNEHFYWXHSC-MSLMYCKWSA-N 1 2 224.691 2.619 20 0 BFADLO c1cn2ccc(-c3cnn4ccccc34)cc2[nH+]1 ZINC001242964309 984327062 /nfs/dbraw/zinc/32/70/62/984327062.db2.gz PRCJXZMJOWRIFH-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)C(F)=C1CCC1 ZINC001436598983 984332917 /nfs/dbraw/zinc/33/29/17/984332917.db2.gz QJWLODLGQSDLIT-UHFFFAOYSA-N 1 2 245.257 2.680 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc(OCC2CCC2)c1 ZINC001243069682 984487072 /nfs/dbraw/zinc/48/70/72/984487072.db2.gz JTWLTLVMKRZKFS-UHFFFAOYSA-N 1 2 243.310 2.661 20 0 BFADLO C/C(Cl)=C\C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001442671140 984500182 /nfs/dbraw/zinc/50/01/82/984500182.db2.gz WRTDCYMJRUUVJA-VMPITWQZSA-N 1 2 249.701 2.724 20 0 BFADLO COc1cnccc1-c1ccc2[nH+]c(C)cn2c1 ZINC001243072372 984502997 /nfs/dbraw/zinc/50/29/97/984502997.db2.gz HTRZEUQJFKEOCA-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cnccc1-c1cc(C)cn2cc[nH+]c12 ZINC001243073640 984508194 /nfs/dbraw/zinc/50/81/94/984508194.db2.gz SEBFELIDCFMAJV-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Oc1ccc(-c2ccc3[nH+]ccn3c2)c(F)c1F ZINC001243342502 984834868 /nfs/dbraw/zinc/83/48/68/984834868.db2.gz PDPCFUFLLCSVQT-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Cn1c(-c2ccc[nH+]c2N)cc2ccccc21 ZINC001243352207 984835491 /nfs/dbraw/zinc/83/54/91/984835491.db2.gz BXHXVNKCQOZSAT-UHFFFAOYSA-N 1 2 223.279 2.823 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(N)c(Cl)c1 ZINC001243375511 984853038 /nfs/dbraw/zinc/85/30/38/984853038.db2.gz MKTGLXGOEGUETP-YALUOGEHSA-N 1 2 208.692 2.798 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1-c1ncc[nH]1 ZINC001243472945 985015443 /nfs/dbraw/zinc/01/54/43/985015443.db2.gz CUDXIVPLHHIXRR-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)CC=C2 ZINC001243476419 985031201 /nfs/dbraw/zinc/03/12/01/985031201.db2.gz RRYNHMPVTOUUOF-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO COc1cc2cc[nH]c2cc1-c1ccc[nH+]c1N ZINC001243476195 985033512 /nfs/dbraw/zinc/03/35/12/985033512.db2.gz PKDILEFJCNBHMF-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO COc1c(C)cc(C)cc1-c1ccc[nH+]c1N ZINC001243478302 985042156 /nfs/dbraw/zinc/04/21/56/985042156.db2.gz WECGYBPVGSKOTP-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CCOC(=O)Cc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001243521274 985067158 /nfs/dbraw/zinc/06/71/58/985067158.db2.gz XMWVALWGSVKECJ-JBZDOKMESA-N 1 2 245.322 2.668 20 0 BFADLO Cc1nocc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243677323 985180986 /nfs/dbraw/zinc/18/09/86/985180986.db2.gz AERBESNITABTDX-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cccc(=O)[nH]2)cc1 ZINC001243735995 985270174 /nfs/dbraw/zinc/27/01/74/985270174.db2.gz KYRBGLYNJKSUOO-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO CCc1cc(N[C@H]2C=CCC2)nc(CC)[nH+]1 ZINC001458479899 985318693 /nfs/dbraw/zinc/31/86/93/985318693.db2.gz BLNAVSPAMGMXKS-NSHDSACASA-N 1 2 217.316 2.732 20 0 BFADLO CCc1cc(NCC(C)(C)F)nc(CC)[nH+]1 ZINC001458529466 985328419 /nfs/dbraw/zinc/32/84/19/985328419.db2.gz YEXZJSXRQKQFAT-UHFFFAOYSA-N 1 2 225.311 2.761 20 0 BFADLO CNc1cc(-c2cc(F)ncc2C)cc[nH+]1 ZINC001243787673 985341129 /nfs/dbraw/zinc/34/11/29/985341129.db2.gz VQCDRUQWLBKFHC-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO CO[C@H]1CC=C(c2ccc(C)c(N)[nH+]2)CC1 ZINC001243803455 985375411 /nfs/dbraw/zinc/37/54/11/985375411.db2.gz DKUOOWSKMSREEJ-NSHDSACASA-N 1 2 218.300 2.555 20 0 BFADLO CCc1cn(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c[nH+]1 ZINC001459261465 985416195 /nfs/dbraw/zinc/41/61/95/985416195.db2.gz MJQKTXALHSRSTD-GUDFOSOFSA-N 1 2 226.270 2.737 20 0 BFADLO CO[C@H]1CC=C(c2cc[nH+]c(N(C)C)c2)CC1 ZINC001243817722 985418296 /nfs/dbraw/zinc/41/82/96/985418296.db2.gz ZPYWOWFZSNPLSO-ZDUSSCGKSA-N 1 2 232.327 2.730 20 0 BFADLO Cc1ccc(-c2ccc(CO)c(Cl)c2)[nH+]c1N ZINC001243817354 985420549 /nfs/dbraw/zinc/42/05/49/985420549.db2.gz QNSGEJIVPSHFQU-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO CCc1cn(CC(=O)c2ccc(C)c(C)c2)c[nH+]1 ZINC001459264292 985425393 /nfs/dbraw/zinc/42/53/93/985425393.db2.gz UAZHGBXHXHDDFH-UHFFFAOYSA-N 1 2 242.322 2.945 20 0 BFADLO c1ccc(-c2nccc(C3=C[NH2+]CCC3)n2)cc1 ZINC001243947814 985624895 /nfs/dbraw/zinc/62/48/95/985624895.db2.gz OYTJRFICRPTRDK-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO Fc1ccc(F)c(C2=C[NH2+]CCC2)c1F ZINC001243949255 985633097 /nfs/dbraw/zinc/63/30/97/985633097.db2.gz BXBKBNYKWOYAQO-UHFFFAOYSA-N 1 2 213.202 2.828 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CO1 ZINC000688430064 985634712 /nfs/dbraw/zinc/63/47/12/985634712.db2.gz WSVPQEAMPOASSC-TZMCWYRMSA-N 1 2 234.343 2.732 20 0 BFADLO Cc1ccc(-c2ccc(C3=C[NH2+]CCC3)nn2)o1 ZINC001243949233 985638886 /nfs/dbraw/zinc/63/88/86/985638886.db2.gz URKHCYLSHRFUHQ-UHFFFAOYSA-N 1 2 241.294 2.769 20 0 BFADLO CSCC[C@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001258213658 985645859 /nfs/dbraw/zinc/64/58/59/985645859.db2.gz URUXZMWYEAABLS-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CSCC[C@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001258213658 985645875 /nfs/dbraw/zinc/64/58/75/985645875.db2.gz URUXZMWYEAABLS-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO Clc1ccnc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1Cl ZINC001459894289 985652129 /nfs/dbraw/zinc/65/21/29/985652129.db2.gz XFMDXWUUYVOWNL-XCBNKYQSSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccnc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1Cl ZINC001459894289 985652135 /nfs/dbraw/zinc/65/21/35/985652135.db2.gz XFMDXWUUYVOWNL-XCBNKYQSSA-N 1 2 243.137 2.983 20 0 BFADLO CCOc1ccc(/C(C)=C/C=C/[NH3+])c(OC)c1 ZINC001244000590 985731779 /nfs/dbraw/zinc/73/17/79/985731779.db2.gz VGXIGSFHXQOVMV-MPEOSAONSA-N 1 2 233.311 2.970 20 0 BFADLO c1cn2cccc(-c3ccc4c(c3)NCC4)c2[nH+]1 ZINC001244014162 985738151 /nfs/dbraw/zinc/73/81/51/985738151.db2.gz IQHXENGIMBRVBS-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO Cc1cc(-c2ccc3c(c2)NCC3)c[nH+]c1N ZINC001244018451 985748977 /nfs/dbraw/zinc/74/89/77/985748977.db2.gz JRCZDQJAMCDQFP-UHFFFAOYSA-N 1 2 225.295 2.607 20 0 BFADLO Nc1cc[nH+]c(-c2c(O)cccc2Cl)c1 ZINC001244027367 985762138 /nfs/dbraw/zinc/76/21/38/985762138.db2.gz SSLZTVBETNTTIR-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO CC1(C)CCC[C@H]([N@@H+]2CCC(=O)[C@H](F)C2)C1 ZINC001258287807 985792835 /nfs/dbraw/zinc/79/28/35/985792835.db2.gz DAPYTYPTRQTOHP-WDEREUQCSA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC[C@H]([N@H+]2CCC(=O)[C@H](F)C2)C1 ZINC001258287807 985792854 /nfs/dbraw/zinc/79/28/54/985792854.db2.gz DAPYTYPTRQTOHP-WDEREUQCSA-N 1 2 227.323 2.568 20 0 BFADLO CC(C)c1ccc(N)c(-c2c[nH+]cn2C)c1 ZINC001244215079 985892933 /nfs/dbraw/zinc/89/29/33/985892933.db2.gz OXITULUUFWBJTF-UHFFFAOYSA-N 1 2 215.300 2.793 20 0 BFADLO C[C@H]([NH2+]CC(=O)OCc1ccccc1)C1(C)CC1 ZINC001460891417 985925808 /nfs/dbraw/zinc/92/58/08/985925808.db2.gz RMZPMNAEQJHZOF-LBPRGKRZSA-N 1 2 247.338 2.508 20 0 BFADLO CCSCC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001460935430 985948526 /nfs/dbraw/zinc/94/85/26/985948526.db2.gz MDMKZUOROZRZEN-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CCSCC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001460935430 985948537 /nfs/dbraw/zinc/94/85/37/985948537.db2.gz MDMKZUOROZRZEN-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CC(=CC=C[NH3+])c1ccc2cc[nH]c(=O)c2c1 ZINC001244313028 985941627 /nfs/dbraw/zinc/94/16/27/985941627.db2.gz PDTRSONIHQKZQL-GBWIQOKOSA-N 1 2 226.279 2.816 20 0 BFADLO Fc1ccc2oc(CNc3cccc[nH+]3)nc2c1 ZINC001461073850 986010318 /nfs/dbraw/zinc/01/03/18/986010318.db2.gz FXWZSFOJCHOMEX-UHFFFAOYSA-N 1 2 243.241 2.974 20 0 BFADLO Cc1cc(N)ccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244371463 986019283 /nfs/dbraw/zinc/01/92/83/986019283.db2.gz OOMVJFMLTLDNKW-UHFFFAOYSA-N 1 2 239.322 2.640 20 0 BFADLO Cc1ccc(-c2cccn3cc[nH+]c23)c(N)c1 ZINC001244392869 986036600 /nfs/dbraw/zinc/03/66/00/986036600.db2.gz KPHZNVDLQVYFGZ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CNc1cc(-c2ccc(C)cc2CO)cc[nH+]1 ZINC001244490067 986195089 /nfs/dbraw/zinc/19/50/89/986195089.db2.gz IDSLRHMUZJAHEY-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO COc1nc(C[N@H+](C)Cc2ccoc2)ccc1C ZINC001461943215 986236771 /nfs/dbraw/zinc/23/67/71/986236771.db2.gz RZCSYMLVQWQEQW-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1nc(C[N@@H+](C)Cc2ccoc2)ccc1C ZINC001461943215 986236783 /nfs/dbraw/zinc/23/67/83/986236783.db2.gz RZCSYMLVQWQEQW-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C[N@H+](Cc1cscn1)C[C@@]1(C)CCCCO1 ZINC001461969129 986250221 /nfs/dbraw/zinc/25/02/21/986250221.db2.gz ILIRESSJUAIDOQ-GFCCVEGCSA-N 1 2 240.372 2.534 20 0 BFADLO C[N@@H+](Cc1cscn1)C[C@@]1(C)CCCCO1 ZINC001461969129 986250228 /nfs/dbraw/zinc/25/02/28/986250228.db2.gz ILIRESSJUAIDOQ-GFCCVEGCSA-N 1 2 240.372 2.534 20 0 BFADLO COc1ccc(F)c(/C(C)=C/C=C/[NH3+])c1OC ZINC001244595966 986272644 /nfs/dbraw/zinc/27/26/44/986272644.db2.gz XQXIMACECNMJPY-KBXRYBNXSA-N 1 2 237.274 2.719 20 0 BFADLO CCOc1ncc(-c2cc[nH+]c(NC)c2)cc1C ZINC001244685662 986306291 /nfs/dbraw/zinc/30/62/91/986306291.db2.gz YICWJGOUKJWITA-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO CNc1cc(F)cc(-c2ccc(N)[nH+]c2)c1 ZINC001244827105 986364503 /nfs/dbraw/zinc/36/45/03/986364503.db2.gz ZSOHHBXTJLISTE-UHFFFAOYSA-N 1 2 217.247 2.512 20 0 BFADLO CNc1cc(F)cc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001244830116 986366731 /nfs/dbraw/zinc/36/67/31/986366731.db2.gz YLYXIADFXQEGRA-UHFFFAOYSA-N 1 2 231.274 2.820 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)cc1N ZINC001244897554 986431486 /nfs/dbraw/zinc/43/14/86/986431486.db2.gz KJWWYEJRWIHPOH-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO CNc1cc(-c2cccc3ncncc32)cc[nH+]1 ZINC001244972646 986549744 /nfs/dbraw/zinc/54/97/44/986549744.db2.gz HWTVRICQJMFKIW-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO CNc1cc(-c2cc(C)ncc2C)cc[nH+]1 ZINC001244971710 986549772 /nfs/dbraw/zinc/54/97/72/986549772.db2.gz IPIQJERPHJPQDE-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CNc1cccc(-c2cc[nH+]c(NC)c2)c1 ZINC001244975833 986559642 /nfs/dbraw/zinc/55/96/42/986559642.db2.gz DHBDVNPTKQOMFJ-UHFFFAOYSA-N 1 2 213.284 2.832 20 0 BFADLO CNc1cc(-c2ccc3c(c2)COCC3)cc[nH+]1 ZINC001244976231 986561399 /nfs/dbraw/zinc/56/13/99/986561399.db2.gz OOEXQLCSGZEUCP-UHFFFAOYSA-N 1 2 240.306 2.863 20 0 BFADLO CNc1cc(-c2cc(C)ccc2N)cc[nH+]1 ZINC001244976712 986561935 /nfs/dbraw/zinc/56/19/35/986561935.db2.gz SKCRMQRGYMPNCQ-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO CNc1cc(-c2cccc(N)c2C)cc[nH+]1 ZINC001244975586 986562626 /nfs/dbraw/zinc/56/26/26/986562626.db2.gz HNCSJZRBTPCMDQ-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO CNc1cc(-c2ccn(C(C)C)c(=O)c2)cc[nH+]1 ZINC001244977315 986564746 /nfs/dbraw/zinc/56/47/46/986564746.db2.gz YJMKVRFJQALJEI-UHFFFAOYSA-N 1 2 243.310 2.533 20 0 BFADLO COc1c(O)cccc1-c1ccn2cc[nH+]c2c1 ZINC001244993269 986593723 /nfs/dbraw/zinc/59/37/23/986593723.db2.gz USJFSAIBFCBIEB-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO COc1cc(-c2c[nH+]c(N)c(C)c2)c(Cl)cn1 ZINC001245041172 986606406 /nfs/dbraw/zinc/60/64/06/986606406.db2.gz ULYSDCYYQFRIGA-UHFFFAOYSA-N 1 2 249.701 2.696 20 0 BFADLO CC(C)(O)c1cc(F)cc(-c2ccc[nH+]c2N)c1 ZINC001245141957 986670581 /nfs/dbraw/zinc/67/05/81/986670581.db2.gz ZGMAHGJNFHEGNF-UHFFFAOYSA-N 1 2 246.285 2.697 20 0 BFADLO CC(C)(O)c1cc(F)cc(-c2ccc(N)[nH+]c2)c1 ZINC001245143850 986670632 /nfs/dbraw/zinc/67/06/32/986670632.db2.gz BJXJUPPVFZOZSU-UHFFFAOYSA-N 1 2 246.285 2.697 20 0 BFADLO c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001137321728 986770430 /nfs/dbraw/zinc/77/04/30/986770430.db2.gz UNCVYCHQNCPSRB-ZIAGYGMSSA-N 1 2 242.322 2.531 20 0 BFADLO c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001137321728 986770440 /nfs/dbraw/zinc/77/04/40/986770440.db2.gz UNCVYCHQNCPSRB-ZIAGYGMSSA-N 1 2 242.322 2.531 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC001137335348 986800013 /nfs/dbraw/zinc/80/00/13/986800013.db2.gz OMYWENUPSKJVII-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC001137335348 986800024 /nfs/dbraw/zinc/80/00/24/986800024.db2.gz OMYWENUPSKJVII-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO Cc1cc(-c2cc3cccnc3[nH]2)c[nH+]c1N ZINC001245402749 986826942 /nfs/dbraw/zinc/82/69/42/986826942.db2.gz DKAXIJNTBOKQHG-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO c1[nH]c2cnccc2c1-c1cc[nH+]c2c1CCN2 ZINC001245399897 986841626 /nfs/dbraw/zinc/84/16/26/986841626.db2.gz PJHKGONQGXMIPK-UHFFFAOYSA-N 1 2 236.278 2.593 20 0 BFADLO Nc1ccc(-c2ccc[nH+]c2N)c(Cl)c1 ZINC001245506080 986885052 /nfs/dbraw/zinc/88/50/52/986885052.db2.gz MBUXEHDMMHBASF-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO Nc1ccc(-c2cc[nH+]c(N)c2)c(Cl)c1 ZINC001245505778 986885745 /nfs/dbraw/zinc/88/57/45/986885745.db2.gz KCXJLRZZJVKACH-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO Cc1cc(-c2cc(OC(C)C)ccn2)c[nH+]c1N ZINC001245535601 986910246 /nfs/dbraw/zinc/91/02/46/986910246.db2.gz KVVIKSPKVDQBHS-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Cc1cc(-c2nccc3cnccc32)c[nH+]c1N ZINC001245535623 986911244 /nfs/dbraw/zinc/91/12/44/986911244.db2.gz LZZVCFIXIVTSCP-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2ccc3nsnc3c2)c[nH+]c1N ZINC001245536343 986912500 /nfs/dbraw/zinc/91/25/00/986912500.db2.gz ITSWLPHNYWBZAH-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1cc(-c2cc(C(C)C)ncn2)c[nH+]c1N ZINC001245536302 986913940 /nfs/dbraw/zinc/91/39/40/986913940.db2.gz OQLSZFAURHQALD-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO Cc1cc(-c2ccc3c(n2)CCCC3)c[nH+]c1N ZINC001245536251 986914687 /nfs/dbraw/zinc/91/46/87/986914687.db2.gz NMZOVNOJLPIOPJ-UHFFFAOYSA-N 1 2 239.322 2.913 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)nc2[nH]ccc21 ZINC001245536639 986916155 /nfs/dbraw/zinc/91/61/55/986916155.db2.gz WBJZSTRLGIFBBB-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2cnc3[nH]cc(F)c3c2)c[nH+]c1N ZINC001245537918 986917923 /nfs/dbraw/zinc/91/79/23/986917923.db2.gz HHDSCNPLHGMPJU-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1ccc(N)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245538773 986920696 /nfs/dbraw/zinc/92/06/96/986920696.db2.gz GKCHKCVOJGSXRT-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Cc1cc(-c2cnc3[nH]ccc3c2F)c[nH+]c1N ZINC001245539587 986925314 /nfs/dbraw/zinc/92/53/14/986925314.db2.gz WBYZJZRLPJOYCW-UHFFFAOYSA-N 1 2 242.257 2.606 20 0 BFADLO Cc1cc(-c2cccc3cnncc32)c[nH+]c1N ZINC001245539564 986925574 /nfs/dbraw/zinc/92/55/74/986925574.db2.gz GUWAOWUVQMXNRL-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CSc1cnc(F)c(/C(C)=C/C=C/[NH3+])c1 ZINC001245760664 987076707 /nfs/dbraw/zinc/07/67/07/987076707.db2.gz NPBIBYJGUIBMBM-MSLMYCKWSA-N 1 2 224.304 2.818 20 0 BFADLO Cc1cc([C@@H]2CCCC[N@@H+]2C/C=C/Cl)[nH]n1 ZINC001473829548 987570839 /nfs/dbraw/zinc/57/08/39/987570839.db2.gz WWSLLLVBESZRDM-FUEXJSSKSA-N 1 2 239.750 2.998 20 0 BFADLO Cc1cc([C@@H]2CCCC[N@H+]2C/C=C/Cl)[nH]n1 ZINC001473829548 987570856 /nfs/dbraw/zinc/57/08/56/987570856.db2.gz WWSLLLVBESZRDM-FUEXJSSKSA-N 1 2 239.750 2.998 20 0 BFADLO CCn1ccc(NCc2cc(C)[nH+]c(C)c2)n1 ZINC001474202939 987658952 /nfs/dbraw/zinc/65/89/52/987658952.db2.gz BDYYAGZFLXJMQX-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1ccc(NC(=O)CC2(C)CC2)c(N(C)C)[nH+]1 ZINC001116782271 987706531 /nfs/dbraw/zinc/70/65/31/987706531.db2.gz MGAIWBABDZDCQI-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO CCCC[C@@H](CC(C)C)N[C@@H]1C[NH2+]CC1(F)F ZINC001246458968 987815231 /nfs/dbraw/zinc/81/52/31/987815231.db2.gz IFBSWUGMOQCFEJ-NWDGAFQWSA-N 1 2 248.361 2.788 20 0 BFADLO CC1=C(C)C[C@H](c2nnc(C[NH+](C)C)o2)CC1 ZINC001118433295 988345180 /nfs/dbraw/zinc/34/51/80/988345180.db2.gz RSYOZWKXNHSHJT-LLVKDONJSA-N 1 2 235.331 2.735 20 0 BFADLO CCCCC[C@H](C)Cc1nnc(C[NH+](C)C)o1 ZINC001322983387 988423381 /nfs/dbraw/zinc/42/33/81/988423381.db2.gz IXCLIURDCWJXIM-NSHDSACASA-N 1 2 239.363 2.890 20 0 BFADLO CC1(C)CCC[C@H]([N@@H+]2CC[C@@H](N)C(F)(F)C2)C1 ZINC001246837073 988538154 /nfs/dbraw/zinc/53/81/54/988538154.db2.gz PHRNPFVATBFKTJ-WDEREUQCSA-N 1 2 246.345 2.624 20 0 BFADLO CC1(C)CCC[C@H]([N@H+]2CC[C@@H](N)C(F)(F)C2)C1 ZINC001246837073 988538164 /nfs/dbraw/zinc/53/81/64/988538164.db2.gz PHRNPFVATBFKTJ-WDEREUQCSA-N 1 2 246.345 2.624 20 0 BFADLO CC(C)OC(=O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC001323792813 988615786 /nfs/dbraw/zinc/61/57/86/988615786.db2.gz UVYSGLLYVSZNGB-CHWSQXEVSA-N 1 2 249.354 2.720 20 0 BFADLO CN[C@@H]1CC[N@@H+]1[C@@H](Cc1ccccc1)CC(C)C ZINC001246901238 988673876 /nfs/dbraw/zinc/67/38/76/988673876.db2.gz WMRWHOIAFSVJCG-CVEARBPZSA-N 1 2 246.398 2.895 20 0 BFADLO CN[C@@H]1CC[N@H+]1[C@@H](Cc1ccccc1)CC(C)C ZINC001246901238 988673882 /nfs/dbraw/zinc/67/38/82/988673882.db2.gz WMRWHOIAFSVJCG-CVEARBPZSA-N 1 2 246.398 2.895 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H]2C=CCCC2)CCCC1 ZINC001324284771 988779204 /nfs/dbraw/zinc/77/92/04/988779204.db2.gz HAZYDGBOGXHKTR-GFCCVEGCSA-N 1 2 237.343 2.561 20 0 BFADLO COc1cc(C)[nH+]c(CSCCSC)c1 ZINC001324957454 989031971 /nfs/dbraw/zinc/03/19/71/989031971.db2.gz BPTUVAQRHRVLNH-UHFFFAOYSA-N 1 2 243.397 2.995 20 0 BFADLO CCC[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC001324992372 989043442 /nfs/dbraw/zinc/04/34/42/989043442.db2.gz GRDXFJCNRCSIDZ-WCQYABFASA-N 1 2 249.358 2.529 20 0 BFADLO OCc1cc[nH+]c(NC[C@@H]2C[C@@H]2C2CCCC2)c1 ZINC001516395678 989148538 /nfs/dbraw/zinc/14/85/38/989148538.db2.gz PMDTXKLLLRYNHT-UONOGXRCSA-N 1 2 246.354 2.812 20 0 BFADLO Cn1c[nH+]cc1COC(=O)[C@@H]1CCC=CCCC1 ZINC001517024509 989193767 /nfs/dbraw/zinc/19/37/67/989193767.db2.gz ZRJVDWIHEVMBOL-GFCCVEGCSA-N 1 2 248.326 2.600 20 0 BFADLO COc1ccc2nc(C[N@@H+]3CCC[C@H]3C)[nH]c2c1 ZINC001249411445 989273572 /nfs/dbraw/zinc/27/35/72/989273572.db2.gz YAKSVGVHLRXFED-SNVBAGLBSA-N 1 2 245.326 2.556 20 0 BFADLO COc1ccc2nc(C[N@H+]3CCC[C@H]3C)[nH]c2c1 ZINC001249411445 989273578 /nfs/dbraw/zinc/27/35/78/989273578.db2.gz YAKSVGVHLRXFED-SNVBAGLBSA-N 1 2 245.326 2.556 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC001249476784 989291391 /nfs/dbraw/zinc/29/13/91/989291391.db2.gz GELSPVNAPWDAEF-LLVKDONJSA-N 1 2 224.323 2.856 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC001249476784 989291407 /nfs/dbraw/zinc/29/14/07/989291407.db2.gz GELSPVNAPWDAEF-LLVKDONJSA-N 1 2 224.323 2.856 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccccc2CF)n1 ZINC001119813721 989419139 /nfs/dbraw/zinc/41/91/39/989419139.db2.gz YMNWRTQLOMVRFJ-SECBINFHSA-N 1 2 249.289 2.698 20 0 BFADLO CC[C@@H](c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001326292404 989469645 /nfs/dbraw/zinc/46/96/45/989469645.db2.gz IPPJCTJBKLPQMN-GFCCVEGCSA-N 1 2 245.326 2.673 20 0 BFADLO CCc1ccc(N2CCC(SC)CC2)[nH+]c1 ZINC001120868798 989937221 /nfs/dbraw/zinc/93/72/21/989937221.db2.gz XMBVBMFWANEVJG-UHFFFAOYSA-N 1 2 236.384 2.976 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001121231199 990053487 /nfs/dbraw/zinc/05/34/87/990053487.db2.gz JKTVCWGAROYXAE-JOYOIKCWSA-N 1 2 234.343 2.741 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001527012326 990200542 /nfs/dbraw/zinc/20/05/42/990200542.db2.gz SGFNLAWYYWZHOZ-MNOVXSKESA-N 1 2 238.331 2.628 20 0 BFADLO CC/C=C(/C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123153965 990519744 /nfs/dbraw/zinc/51/97/44/990519744.db2.gz KTMVFKILIWTVCR-WDZFZDKYSA-N 1 2 236.315 2.518 20 0 BFADLO CC[C@H](C)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123154787 990520187 /nfs/dbraw/zinc/52/01/87/990520187.db2.gz REIOSUUDBKSMKB-NSHDSACASA-N 1 2 238.331 2.598 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CCC1(C)CC1 ZINC001123473205 990589264 /nfs/dbraw/zinc/58/92/64/990589264.db2.gz PTZBQXYNFNFXGW-UHFFFAOYSA-N 1 2 236.315 2.527 20 0 BFADLO C=C/C=C\CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001544675068 990733216 /nfs/dbraw/zinc/73/32/16/990733216.db2.gz WWMBCYIFQAFERH-PLNGDYQASA-N 1 2 241.294 2.714 20 0 BFADLO CC[N@@H+]1CC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC001544963491 990741619 /nfs/dbraw/zinc/74/16/19/990741619.db2.gz CTUQFVDHUJFRHV-ZDUSSCGKSA-N 1 2 246.354 2.645 20 0 BFADLO CC[N@H+]1CC[C@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC001544963491 990741624 /nfs/dbraw/zinc/74/16/24/990741624.db2.gz CTUQFVDHUJFRHV-ZDUSSCGKSA-N 1 2 246.354 2.645 20 0 BFADLO CC(C)[N@H+](C)Cc1csc(Br)n1 ZINC001137576856 990825609 /nfs/dbraw/zinc/82/56/09/990825609.db2.gz ASXWOMZFTOACMD-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO CC(C)[N@@H+](C)Cc1csc(Br)n1 ZINC001137576856 990825610 /nfs/dbraw/zinc/82/56/10/990825610.db2.gz ASXWOMZFTOACMD-UHFFFAOYSA-N 1 2 249.177 2.746 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001137847680 990859862 /nfs/dbraw/zinc/85/98/62/990859862.db2.gz ARSBXECIGINIRU-AWEZNQCLSA-N 1 2 249.329 2.806 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001137847680 990859865 /nfs/dbraw/zinc/85/98/65/990859865.db2.gz ARSBXECIGINIRU-AWEZNQCLSA-N 1 2 249.329 2.806 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001137991441 990873915 /nfs/dbraw/zinc/87/39/15/990873915.db2.gz KBVKVKGEIDOMMA-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(F)c(C[N@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001137991441 990873916 /nfs/dbraw/zinc/87/39/16/990873916.db2.gz KBVKVKGEIDOMMA-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO Oc1cc(O)cc(C[NH+]2Cc3ccccc3C2)c1 ZINC001138322982 990915009 /nfs/dbraw/zinc/91/50/09/990915009.db2.gz CDYRBZYCWMEDPI-UHFFFAOYSA-N 1 2 241.290 2.614 20 0 BFADLO CC[C@H](C)C(=O)N1CCC[C@H]1c1[nH]c(C)c(C)[nH+]1 ZINC001558351416 990941382 /nfs/dbraw/zinc/94/13/82/990941382.db2.gz KMVQTWMTNJXSMM-CABZTGNLSA-N 1 2 249.358 2.736 20 0 BFADLO Cc1ccc2[nH]c(C[N@H+]3CCOC[C@@H]3C)cc2c1 ZINC001138419002 990942871 /nfs/dbraw/zinc/94/28/71/990942871.db2.gz JDHLTVPKFQUKPI-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2[nH]c(C[N@@H+]3CCOC[C@@H]3C)cc2c1 ZINC001138419002 990942877 /nfs/dbraw/zinc/94/28/77/990942877.db2.gz JDHLTVPKFQUKPI-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CCC(=O)C1 ZINC001258068402 990960575 /nfs/dbraw/zinc/96/05/75/990960575.db2.gz FAWZYDANUZNUDN-VXGBXAGGSA-N 1 2 211.349 2.722 20 0 BFADLO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CCC(=O)C1 ZINC001258068402 990960581 /nfs/dbraw/zinc/96/05/81/990960581.db2.gz FAWZYDANUZNUDN-VXGBXAGGSA-N 1 2 211.349 2.722 20 0 BFADLO CCc1cc(N2CCCC2(C)C)nc(CC)[nH+]1 ZINC001559119766 991037266 /nfs/dbraw/zinc/03/72/66/991037266.db2.gz URNGRIAYYDXUKU-UHFFFAOYSA-N 1 2 233.359 2.980 20 0 BFADLO C[N@H+](Cc1cccc(F)c1)Cc1cccnc1F ZINC001138783368 991044923 /nfs/dbraw/zinc/04/49/23/991044923.db2.gz PXNKCDVUXRZJEP-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccc(F)c1)Cc1cccnc1F ZINC001138783368 991044930 /nfs/dbraw/zinc/04/49/30/991044930.db2.gz PXNKCDVUXRZJEP-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CCc1cn(CC(=O)C2CCCCC2)c[nH+]1 ZINC001559466395 991113519 /nfs/dbraw/zinc/11/35/19/991113519.db2.gz ROIRHMFDDSBIRK-UHFFFAOYSA-N 1 2 220.316 2.595 20 0 BFADLO C[N@H+](CCF)Cc1ccc(C(F)(F)F)cn1 ZINC001139017195 991124961 /nfs/dbraw/zinc/12/49/61/991124961.db2.gz KUXFEIBDDISDQY-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(C(F)(F)F)cn1 ZINC001139017195 991124967 /nfs/dbraw/zinc/12/49/67/991124967.db2.gz KUXFEIBDDISDQY-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[NH+](C)Cc1c(F)cc(Cl)cc1F ZINC001139047403 991131624 /nfs/dbraw/zinc/13/16/24/991131624.db2.gz JTRLODZFJFQPHJ-UHFFFAOYSA-N 1 2 205.635 2.680 20 0 BFADLO Cc1cc(C)c(NC(=O)NC2(C)CC2)c(C)[nH+]1 ZINC001310834524 991314539 /nfs/dbraw/zinc/31/45/39/991314539.db2.gz MHLZNQAAWBVVRQ-UHFFFAOYSA-N 1 2 233.315 2.681 20 0 BFADLO CCCCC[C@@H](CC)N1CC[NH2+]CC(F)(F)C1 ZINC001258439699 991379311 /nfs/dbraw/zinc/37/93/11/991379311.db2.gz LMZWKDMUMXZEHH-GFCCVEGCSA-N 1 2 248.361 2.886 20 0 BFADLO CCC[C@H]1CCC[C@H]1c1nnc(C[NH+](C)C)o1 ZINC001329324786 991413179 /nfs/dbraw/zinc/41/31/79/991413179.db2.gz XLXSSRGZTPYJPO-WDEREUQCSA-N 1 2 237.347 2.815 20 0 BFADLO COCCCCC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001560219900 991421911 /nfs/dbraw/zinc/42/19/11/991421911.db2.gz XBZGTWQVJDEUOV-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO COCCCCC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001560219900 991421917 /nfs/dbraw/zinc/42/19/17/991421917.db2.gz XBZGTWQVJDEUOV-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO Cc1nc2c(s1)C[N@@H+]([C@H](C)CC1CC1)C2 ZINC001258469591 991437877 /nfs/dbraw/zinc/43/78/77/991437877.db2.gz FSPJZAOWFMMETM-MRVPVSSYSA-N 1 2 222.357 2.956 20 0 BFADLO Cc1nc2c(s1)C[N@H+]([C@H](C)CC1CC1)C2 ZINC001258469591 991437882 /nfs/dbraw/zinc/43/78/82/991437882.db2.gz FSPJZAOWFMMETM-MRVPVSSYSA-N 1 2 222.357 2.956 20 0 BFADLO CCc1ncc(CNc2c[nH+]ccc2OC)s1 ZINC001560407923 991467963 /nfs/dbraw/zinc/46/79/63/991467963.db2.gz NHXFRXSNQYPWGY-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO c1cc(C[NH+]2CC3(C2)CCCO3)cc2c1CCC2 ZINC001203026482 991611560 /nfs/dbraw/zinc/61/15/60/991611560.db2.gz PFCNRHLZVUCBSA-UHFFFAOYSA-N 1 2 243.350 2.540 20 0 BFADLO CCCCC[C@H](CCC)[N@@H+]1CCOC(=O)C1 ZINC001258674449 991619021 /nfs/dbraw/zinc/61/90/21/991619021.db2.gz XIOFGGODZQJEDE-LBPRGKRZSA-N 1 2 227.348 2.594 20 0 BFADLO CCCCC[C@H](CCC)[N@H+]1CCOC(=O)C1 ZINC001258674449 991619027 /nfs/dbraw/zinc/61/90/27/991619027.db2.gz XIOFGGODZQJEDE-LBPRGKRZSA-N 1 2 227.348 2.594 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)n2cc[nH+]c2)ccc1F ZINC001318274740 991643167 /nfs/dbraw/zinc/64/31/67/991643167.db2.gz VWXZTKVLXKTTDN-SNVBAGLBSA-N 1 2 247.273 2.530 20 0 BFADLO CCSCc1ccc[nH+]c1NC[C@@H](C)OC ZINC001560981527 991676470 /nfs/dbraw/zinc/67/64/70/991676470.db2.gz IUHHBWYJUDAOPT-SNVBAGLBSA-N 1 2 240.372 2.782 20 0 BFADLO CCCC1(CNC(=O)[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001319163560 991805265 /nfs/dbraw/zinc/80/52/65/991805265.db2.gz LSRMAXXSSNODAQ-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@@H](C(=O)N[C@@H]1CCCCC1(C)C)n1cc[nH+]c1 ZINC001319255547 991824590 /nfs/dbraw/zinc/82/45/90/991824590.db2.gz WYRVDHODCCBQCQ-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](C(=O)N[C@H]1CCCCC1(C)C)n1cc[nH+]c1 ZINC001319255546 991825683 /nfs/dbraw/zinc/82/56/83/991825683.db2.gz WYRVDHODCCBQCQ-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC1(F)F ZINC001258876969 991884687 /nfs/dbraw/zinc/88/46/87/991884687.db2.gz BQRHJJRNUQDZDP-BXKDBHETSA-N 1 2 241.281 2.623 20 0 BFADLO CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320179019 992121346 /nfs/dbraw/zinc/12/13/46/992121346.db2.gz HTDPSZUPECXTCV-YNEHKIRRSA-N 1 2 249.358 2.529 20 0 BFADLO CCC/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001568610868 992198291 /nfs/dbraw/zinc/19/82/91/992198291.db2.gz ZBHXLTPQRYZXMQ-SNAWJCMRSA-N 1 2 229.283 2.629 20 0 BFADLO CCc1cc(NCc2nocc2C)nc(CC)[nH+]1 ZINC001262705748 993047954 /nfs/dbraw/zinc/04/79/54/993047954.db2.gz RHVDUXNUIUYWML-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CC(C)(C)C1CC1 ZINC001262805228 993069968 /nfs/dbraw/zinc/06/99/68/993069968.db2.gz JNGDDQPIQJPPIT-UHFFFAOYSA-N 1 2 246.354 2.885 20 0 BFADLO CCC[C@H]([NH2+][C@@H](CC)c1cn[nH]n1)C1CCC1 ZINC001576361364 993277748 /nfs/dbraw/zinc/27/77/48/993277748.db2.gz DFEVYCWHSNUIGZ-RYUDHWBXSA-N 1 2 236.363 2.814 20 0 BFADLO CCC[C@H]([NH2+][C@@H](CC)c1c[nH]nn1)C1CCC1 ZINC001576361364 993277758 /nfs/dbraw/zinc/27/77/58/993277758.db2.gz DFEVYCWHSNUIGZ-RYUDHWBXSA-N 1 2 236.363 2.814 20 0 BFADLO COc1cc2[nH+]c(C3CCC3)[nH]c2cc1F ZINC000586885220 993414966 /nfs/dbraw/zinc/41/49/66/993414966.db2.gz YUJQWFPWCDJVAW-UHFFFAOYSA-N 1 2 220.247 2.978 20 0 BFADLO C[N@H+](CC12CCC(CC1)C2)C(C)(C)c1c[nH]nn1 ZINC001576773136 993418282 /nfs/dbraw/zinc/41/82/82/993418282.db2.gz ASAKFPOBQITAAJ-UHFFFAOYSA-N 1 2 248.374 2.552 20 0 BFADLO C[N@@H+](CC12CCC(CC1)C2)C(C)(C)c1c[nH]nn1 ZINC001576773136 993418288 /nfs/dbraw/zinc/41/82/88/993418288.db2.gz ASAKFPOBQITAAJ-UHFFFAOYSA-N 1 2 248.374 2.552 20 0 BFADLO C[N@H+](CC12CCC(CC1)C2)C(C)(C)c1cn[nH]n1 ZINC001576773136 993418293 /nfs/dbraw/zinc/41/82/93/993418293.db2.gz ASAKFPOBQITAAJ-UHFFFAOYSA-N 1 2 248.374 2.552 20 0 BFADLO C[N@@H+](CC12CCC(CC1)C2)C(C)(C)c1cn[nH]n1 ZINC001576773136 993418300 /nfs/dbraw/zinc/41/83/00/993418300.db2.gz ASAKFPOBQITAAJ-UHFFFAOYSA-N 1 2 248.374 2.552 20 0 BFADLO CC[C@H]1CCCC[C@@H]1CN1CCCC[NH2+]1 ZINC001577250550 993554076 /nfs/dbraw/zinc/55/40/76/993554076.db2.gz OLGJLCYJVAPGSE-QWHCGFSZSA-N 1 2 210.365 2.803 20 0 BFADLO Nc1cc(-c2ccnc3ccccc32)cc[nH+]1 ZINC000384505151 993595910 /nfs/dbraw/zinc/59/59/10/993595910.db2.gz QVPURDLETKQLES-UHFFFAOYSA-N 1 2 221.263 2.709 20 0 BFADLO C[C@@H]1[C@H](CO)CCN1c1ccc(C(C)(C)C)c[nH+]1 ZINC000385675884 993666938 /nfs/dbraw/zinc/66/69/38/993666938.db2.gz NMVHPPAOJMVVNL-NEPJUHHUSA-N 1 2 248.370 2.586 20 0 BFADLO Cc1cc(F)c(CNc2cc[nH+]c(C)n2)c(F)c1 ZINC001307215008 994826145 /nfs/dbraw/zinc/82/61/45/994826145.db2.gz CJSOVIVGMDVGDT-UHFFFAOYSA-N 1 2 249.264 2.984 20 0 BFADLO Cc1cc(N2CC[C@@H](CF)C2)nc(C2CCC2)[nH+]1 ZINC001336825367 995108783 /nfs/dbraw/zinc/10/87/83/995108783.db2.gz GOZHMIWZNOAFBT-NSHDSACASA-N 1 2 249.333 2.848 20 0 BFADLO COc1ccccc1Cc1cn(CCCF)c[nH+]1 ZINC001307407687 995346028 /nfs/dbraw/zinc/34/60/28/995346028.db2.gz JMFHNXMNTVCPSR-UHFFFAOYSA-N 1 2 248.301 2.842 20 0 BFADLO Clc1ccnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001308068014 995541658 /nfs/dbraw/zinc/54/16/58/995541658.db2.gz LBXMMTKTZKMQPB-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1ccnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001308068014 995541669 /nfs/dbraw/zinc/54/16/69/995541669.db2.gz LBXMMTKTZKMQPB-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO CCc1ccc2c(c1)CC[N@@H+](Cc1c[nH]cn1)C2 ZINC001308169685 995583858 /nfs/dbraw/zinc/58/38/58/995583858.db2.gz DMLAGIOENGNNEM-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc2c(c1)CC[N@H+](Cc1c[nH]cn1)C2 ZINC001308169685 995583870 /nfs/dbraw/zinc/58/38/70/995583870.db2.gz DMLAGIOENGNNEM-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccsc2)[nH+]c1C ZINC000628122971 343975869 /nfs/dbraw/zinc/97/58/69/343975869.db2.gz UMERHXXRZWVAAV-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CCC(CC)(CC)[S@@](=O)Cc1c[nH+]cn1C ZINC000277417730 168318876 /nfs/dbraw/zinc/31/88/76/168318876.db2.gz PEESGSHLPQPFFG-INIZCTEOSA-N 1 2 242.388 2.638 20 0 BFADLO CCC(CC)(CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339267688 168314920 /nfs/dbraw/zinc/31/49/20/168314920.db2.gz KHOBNZBLEPQZSZ-UHFFFAOYSA-N 1 2 237.347 2.664 20 0 BFADLO CCC(CC)(CC)[S@](=O)Cc1[nH+]ccn1C ZINC000190559424 168319137 /nfs/dbraw/zinc/31/91/37/168319137.db2.gz GEEYWXQONOQZFL-MRXNPFEDSA-N 1 2 242.388 2.638 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc(Cl)c1F ZINC000085167996 136211662 /nfs/dbraw/zinc/21/16/62/136211662.db2.gz QGPVKZNXRZAPCE-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)no1 ZINC000378723158 346814149 /nfs/dbraw/zinc/81/41/49/346814149.db2.gz CHMUTAISDZYWFH-BBBLOLIVSA-N 1 2 212.268 2.524 20 0 BFADLO CCC(CC)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378095630 168333434 /nfs/dbraw/zinc/33/34/34/168333434.db2.gz ZDPQTUJFCRVFAZ-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CCC(CC)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378095630 168333435 /nfs/dbraw/zinc/33/34/35/168333435.db2.gz ZDPQTUJFCRVFAZ-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cncc(F)c1 ZINC000389968952 398153345 /nfs/dbraw/zinc/15/33/45/398153345.db2.gz QNVRIZKXWOVOAX-BQBZGAKWSA-N 1 2 218.222 2.525 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)c2c(C)noc2C)no1 ZINC000285549580 178017548 /nfs/dbraw/zinc/01/75/48/178017548.db2.gz GMPSSJRTHCPNSC-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Cc1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)no1 ZINC000341696617 178018647 /nfs/dbraw/zinc/01/86/47/178018647.db2.gz KAORNPLMITVZMJ-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1cc(C[NH2+]Cc2cn[nH]c2C)c(C)s1 ZINC000049686937 178024081 /nfs/dbraw/zinc/02/40/81/178024081.db2.gz NYVKXPKXRRDCOQ-UHFFFAOYSA-N 1 2 235.356 2.686 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(Cl)o2)on1 ZINC000044986372 178027188 /nfs/dbraw/zinc/02/71/88/178027188.db2.gz ZGCLVNXTOFORPF-UHFFFAOYSA-N 1 2 226.663 2.519 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ncc(C)s2)on1 ZINC000185008624 178031555 /nfs/dbraw/zinc/03/15/55/178031555.db2.gz OBKFADCXIJLCKD-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2csc(C)n2)on1 ZINC000044986576 178038317 /nfs/dbraw/zinc/03/83/17/178038317.db2.gz PJPLVEKNTDVROC-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)o1 ZINC000271431569 178038988 /nfs/dbraw/zinc/03/89/88/178038988.db2.gz DFFULEBXLDCGHB-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000353224018 178064319 /nfs/dbraw/zinc/06/43/19/178064319.db2.gz BBNWDJFEFCWVJW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000353224018 178064320 /nfs/dbraw/zinc/06/43/20/178064320.db2.gz BBNWDJFEFCWVJW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000353224016 178064407 /nfs/dbraw/zinc/06/44/07/178064407.db2.gz BBNWDJFEFCWVJW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000353224016 178064409 /nfs/dbraw/zinc/06/44/09/178064409.db2.gz BBNWDJFEFCWVJW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1ccc(N(C)C)[nH+]c1 ZINC000083390375 398185596 /nfs/dbraw/zinc/18/55/96/398185596.db2.gz UQCBVGJCLKXMID-JQWIXIFHSA-N 1 2 219.332 2.748 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1ccc(N(C)C)[nH+]c1 ZINC000083390377 398185783 /nfs/dbraw/zinc/18/57/83/398185783.db2.gz UQCBVGJCLKXMID-CMPLNLGQSA-N 1 2 219.332 2.748 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)[C@@H]1CCOC1 ZINC000164937488 178095293 /nfs/dbraw/zinc/09/52/93/178095293.db2.gz RKCIWIVFVKNSKT-QWHCGFSZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000164937488 178095294 /nfs/dbraw/zinc/09/52/94/178095294.db2.gz RKCIWIVFVKNSKT-QWHCGFSZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1nocc1CNc1ccc([NH+](C)C)cc1C ZINC000293647020 178095345 /nfs/dbraw/zinc/09/53/45/178095345.db2.gz SBFFXQKNRGIEAU-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1cc([NH+](C)C)ccc1Nc1ncc(F)cn1 ZINC000301767614 178097006 /nfs/dbraw/zinc/09/70/06/178097006.db2.gz IKOHKZQMLCMZTO-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C1(C)CCCCCC1 ZINC000334196356 398193864 /nfs/dbraw/zinc/19/38/64/398193864.db2.gz IKZJMEAIDONCHK-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO Cc1cc(N(C)C[C@@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000301497614 178098821 /nfs/dbraw/zinc/09/88/21/178098821.db2.gz BVBTXHREEAIWRY-LBPRGKRZSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000301292330 178099876 /nfs/dbraw/zinc/09/98/76/178099876.db2.gz ULJONQQZOWTNAS-ZYHUDNBSSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N(C)[C@H](C)Cc2ccsc2)nc[nH+]1 ZINC000301490035 178100614 /nfs/dbraw/zinc/10/06/14/178100614.db2.gz LVKVCUGOJCJUBA-LLVKDONJSA-N 1 2 247.367 2.914 20 0 BFADLO Cc1cc(N(C)[C@@H](C)Cc2ccsc2)nc[nH+]1 ZINC000301490036 178101188 /nfs/dbraw/zinc/10/11/88/178101188.db2.gz LVKVCUGOJCJUBA-NSHDSACASA-N 1 2 247.367 2.914 20 0 BFADLO Cc1cc(N(C)[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000301246473 178102331 /nfs/dbraw/zinc/10/23/31/178102331.db2.gz OFTSFAVOUZPZBZ-JQWIXIFHSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@H](C)C[C@@H]1C ZINC000334289698 398195998 /nfs/dbraw/zinc/19/59/98/398195998.db2.gz LHGSXRYBFPWJIP-AOOOYVTPSA-N 1 2 233.315 2.713 20 0 BFADLO Cc1cc(N2CCCC(C)(C)CC2)nc[nH+]1 ZINC000301411370 178113476 /nfs/dbraw/zinc/11/34/76/178113476.db2.gz KGLDIARFJCSTOB-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO Cc1cc(N2CCCO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000340151685 178114529 /nfs/dbraw/zinc/11/45/29/178114529.db2.gz GDYDBIXZNXNNBI-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@@H]2c2ccccc2)nc[nH+]1 ZINC000301475375 178120395 /nfs/dbraw/zinc/12/03/95/178120395.db2.gz SDXDGBCYVRBHOR-IAQYHMDHSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1cc(N2C[C@H]3CCC[C@H]32)nc(C(C)C)[nH+]1 ZINC000336611671 178122507 /nfs/dbraw/zinc/12/25/07/178122507.db2.gz FWKCUKMQDWAMRI-VXGBXAGGSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1ncc([C@@H](C)Nc2ccc[nH+]c2C)c(C)n1 ZINC000272211682 538925670 /nfs/dbraw/zinc/92/56/70/538925670.db2.gz KPCGHLSFESBMLA-SNVBAGLBSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cc(NC(=O)N2CCCC[C@@H]2C)cc[nH+]1 ZINC000119450309 178135507 /nfs/dbraw/zinc/13/55/07/178135507.db2.gz IFJYNLHOSFIWHS-NSHDSACASA-N 1 2 233.315 2.796 20 0 BFADLO Cc1cc(NC(=O)N2CCCCCC2)cc[nH+]1 ZINC000119856820 178136121 /nfs/dbraw/zinc/13/61/21/178136121.db2.gz JOMYPZTZAADJBD-UHFFFAOYSA-N 1 2 233.315 2.798 20 0 BFADLO Cc1cc(NC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)cc[nH+]1 ZINC000179829463 178137639 /nfs/dbraw/zinc/13/76/39/178137639.db2.gz XVLSFCWGYVFFIN-TXEJJXNPSA-N 1 2 245.326 2.510 20 0 BFADLO Cc1cc(NC(=O)c2ccccc2)cc[nH+]1 ZINC000072672345 178150226 /nfs/dbraw/zinc/15/02/26/178150226.db2.gz UKFQWACOHOSVGA-UHFFFAOYSA-N 1 2 212.252 2.642 20 0 BFADLO Cc1cc(NC2CCSCC2)nc(C2CC2)[nH+]1 ZINC000172014857 178155237 /nfs/dbraw/zinc/15/52/37/178155237.db2.gz TWVKWUKFGKFVKX-UHFFFAOYSA-N 1 2 249.383 2.970 20 0 BFADLO Cc1cc(NCC(C)C)nc(C2CC2)[nH+]1 ZINC000264648109 178156371 /nfs/dbraw/zinc/15/63/71/178156371.db2.gz OJTZBWXABOUSFA-UHFFFAOYSA-N 1 2 205.305 2.730 20 0 BFADLO Cc1cc(NCC(C)(C)c2ccncc2)nc[nH+]1 ZINC000301945491 178157009 /nfs/dbraw/zinc/15/70/09/178157009.db2.gz ZMPBSBNTFBZDCR-UHFFFAOYSA-N 1 2 242.326 2.570 20 0 BFADLO Cc1cc(NCC[C@@H](C)O)c2cccc(F)c2[nH+]1 ZINC000126156508 178161949 /nfs/dbraw/zinc/16/19/49/178161949.db2.gz GHEKEOAFOFNJKX-SNVBAGLBSA-N 1 2 248.301 2.865 20 0 BFADLO Cc1cc(NCCc2ccsc2)nc[nH+]1 ZINC000049184183 178163553 /nfs/dbraw/zinc/16/35/53/178163553.db2.gz SQJURGIUHPALAB-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO Cc1cnc([C@H](C)CNc2cc(C)[nH+]cn2)s1 ZINC000302134302 178164663 /nfs/dbraw/zinc/16/46/63/178164663.db2.gz LTXHWKKVCWDJJJ-MRVPVSSYSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1cc(NC[C@@H]2C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000265300675 178167822 /nfs/dbraw/zinc/16/78/22/178167822.db2.gz CXSWCOIQXPDOKW-KCJUWKMLSA-N 1 2 217.316 2.730 20 0 BFADLO Cc1noc(C)c1[C@@H](C)CNc1cc(C)[nH+]cn1 ZINC000129418459 178169127 /nfs/dbraw/zinc/16/91/27/178169127.db2.gz OQVDSGYAZORMGY-QMMMGPOBSA-N 1 2 246.314 2.605 20 0 BFADLO Cc1cc(NCc2cc3ccccc3[nH]2)nc[nH+]1 ZINC000301237248 178171590 /nfs/dbraw/zinc/17/15/90/178171590.db2.gz KUHWAILXFXWVRV-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1cc(NCc2csc(C(C)C)n2)nc[nH+]1 ZINC000301230666 178175971 /nfs/dbraw/zinc/17/59/71/178175971.db2.gz ISMTWHNBCHZLAU-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO Cc1cnc(CNc2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000267369030 178177263 /nfs/dbraw/zinc/17/72/63/178177263.db2.gz JKMWHPITADUNCD-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO Cc1cc(N[C@H](C)Cc2ccccc2F)nc[nH+]1 ZINC000301225089 178186566 /nfs/dbraw/zinc/18/65/66/178186566.db2.gz DBMJYLYRKMRCTG-LLVKDONJSA-N 1 2 245.301 2.967 20 0 BFADLO C[C@@H]([NH2+]Cc1ccncc1F)c1cscn1 ZINC000576479128 365595912 /nfs/dbraw/zinc/59/59/12/365595912.db2.gz AZQHQBISWNJZHX-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1cc(N[C@H](C)c2ccccc2)nc[nH+]1 ZINC000040431428 178188002 /nfs/dbraw/zinc/18/80/02/178188002.db2.gz QPUCXDNXDXOBOZ-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)o1 ZINC000075674404 398226059 /nfs/dbraw/zinc/22/60/59/398226059.db2.gz AJIGUMYTUPQNNX-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccco2)o1 ZINC000075674404 398226062 /nfs/dbraw/zinc/22/60/62/398226062.db2.gz AJIGUMYTUPQNNX-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000302028976 178190216 /nfs/dbraw/zinc/19/02/16/178190216.db2.gz JBJIWERNIRWYCW-JQWIXIFHSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1cc(Nc2cn(C)nc2C(C)C)nc(C)[nH+]1 ZINC000302196870 178193431 /nfs/dbraw/zinc/19/34/31/178193431.db2.gz OCPLROWTZBMWAQ-UHFFFAOYSA-N 1 2 245.330 2.694 20 0 BFADLO CC[C@H]1C[NH+](Cc2cncs2)C[C@H](CC)O1 ZINC000421386596 192326548 /nfs/dbraw/zinc/32/65/48/192326548.db2.gz HNAQEONNXLGDQF-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1cc(OCCC2(O)CC2)c2ccccc2[nH+]1 ZINC000362755153 178210285 /nfs/dbraw/zinc/21/02/85/178210285.db2.gz FKDVRIPLLMUHMV-UHFFFAOYSA-N 1 2 243.306 2.837 20 0 BFADLO Clc1sccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421408706 192332621 /nfs/dbraw/zinc/33/26/21/192332621.db2.gz YXTLVEPYVJDCFJ-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Clc1sccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421408706 192332623 /nfs/dbraw/zinc/33/26/23/192332623.db2.gz YXTLVEPYVJDCFJ-NSHDSACASA-N 1 2 243.759 2.766 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(F)c2)no1 ZINC000282674657 178228284 /nfs/dbraw/zinc/22/82/84/178228284.db2.gz MZSLPPBTQBXGBW-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cnccc2C)no1 ZINC000337278586 178228910 /nfs/dbraw/zinc/22/89/10/178228910.db2.gz GEBFFMBQDSZFLI-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)no1 ZINC000282673016 178231154 /nfs/dbraw/zinc/23/11/54/178231154.db2.gz JFGHUHRRKWIAQH-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO COc1ccccc1[C@H](C)[N@H+](C)Cc1cocn1 ZINC000170607025 361797939 /nfs/dbraw/zinc/79/79/39/361797939.db2.gz YGOJTCCJMYXSSV-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cocn1 ZINC000170607025 361797944 /nfs/dbraw/zinc/79/79/44/361797944.db2.gz YGOJTCCJMYXSSV-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO CC[C@H](C)[C@H](CNc1[nH+]cccc1OC)OC ZINC000381206462 398235027 /nfs/dbraw/zinc/23/50/27/398235027.db2.gz WUIHZOPBEFUOIL-JQWIXIFHSA-N 1 2 238.331 2.563 20 0 BFADLO CC1(C)CCC[C@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000576512389 365613625 /nfs/dbraw/zinc/61/36/25/365613625.db2.gz ZUACFDWGQFTDFC-LBPRGKRZSA-N 1 2 248.370 2.624 20 0 BFADLO COCc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000285981305 538942617 /nfs/dbraw/zinc/94/26/17/538942617.db2.gz GPRPBTLTSAXEMS-JTQLQIEISA-N 1 2 231.299 2.729 20 0 BFADLO CSc1ccc(N[C@H](C)c2[nH]cc[nH+]2)nc1 ZINC000286006897 538942661 /nfs/dbraw/zinc/94/26/61/538942661.db2.gz HWSMYOYWKMNKFK-MRVPVSSYSA-N 1 2 234.328 2.700 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@@H](C)CO ZINC000122165118 178299329 /nfs/dbraw/zinc/29/93/29/178299329.db2.gz UZXJUSSBUUBAHW-RYUDHWBXSA-N 1 2 244.338 2.972 20 0 BFADLO Cc1cc2[nH+]cn([C@@H](C)[C@H](C)O)c2cc1C ZINC000044183900 178305763 /nfs/dbraw/zinc/30/57/63/178305763.db2.gz OGHDURNJTIMPRL-QWRGUYRKSA-N 1 2 218.300 2.595 20 0 BFADLO Cc1cc2[nH+]cn([C@H](C)[C@@H](C)O)c2cc1C ZINC000044183897 178304756 /nfs/dbraw/zinc/30/47/56/178304756.db2.gz OGHDURNJTIMPRL-GHMZBOCLSA-N 1 2 218.300 2.595 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1[nH]cc[nH+]1 ZINC000576640914 365647146 /nfs/dbraw/zinc/64/71/46/365647146.db2.gz ASLPPELKHJFJCP-SRVKXCTJSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)c1[nH]cc[nH+]1 ZINC000576640913 365647961 /nfs/dbraw/zinc/64/79/61/365647961.db2.gz ASLPPELKHJFJCP-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO Cn1c2ccccc2[nH+]c1NCc1cncs1 ZINC000168666712 538945870 /nfs/dbraw/zinc/94/58/70/538945870.db2.gz LTMKMHQATABOLL-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO CCc1ccc(CNc2ccc(CO)c[nH+]2)s1 ZINC000576750276 365675867 /nfs/dbraw/zinc/67/58/67/365675867.db2.gz WSAKKGKIIPNXEC-UHFFFAOYSA-N 1 2 248.351 2.810 20 0 BFADLO CC[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000442797872 398262130 /nfs/dbraw/zinc/26/21/30/398262130.db2.gz HZZCVBQEUSRDSB-WDEREUQCSA-N 1 2 249.358 2.803 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)cn1 ZINC000576776976 365683236 /nfs/dbraw/zinc/68/32/36/365683236.db2.gz BMBRDCISVHSVQD-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)cn1 ZINC000576776976 365683243 /nfs/dbraw/zinc/68/32/43/365683243.db2.gz BMBRDCISVHSVQD-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CCC(CC)N(CC)c1cc[nH+]c(C)n1 ZINC000341054297 168372274 /nfs/dbraw/zinc/37/22/74/168372274.db2.gz XYQWBPQWCBUQAA-UHFFFAOYSA-N 1 2 207.321 2.800 20 0 BFADLO CCCC[C@@H](COC)[NH2+][C@H](C)c1cn[nH]c1C ZINC000180579094 538958270 /nfs/dbraw/zinc/95/82/70/538958270.db2.gz MIBGEJJOMOWACQ-PWSUYJOCSA-N 1 2 239.363 2.574 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1C)c1ccncc1 ZINC000180623183 538958279 /nfs/dbraw/zinc/95/82/79/538958279.db2.gz QIDFKQRQALOGHZ-YGRLFVJLSA-N 1 2 244.342 2.915 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000602553047 349594443 /nfs/dbraw/zinc/59/44/43/349594443.db2.gz HTWLAEIZRRTPEQ-ZANVPECISA-N 1 2 243.310 2.716 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000179982289 538956933 /nfs/dbraw/zinc/95/69/33/538956933.db2.gz CIKVNUJZCIBIQW-NSHDSACASA-N 1 2 229.327 2.877 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000179982302 538956952 /nfs/dbraw/zinc/95/69/52/538956952.db2.gz CIKVNUJZCIBIQW-LLVKDONJSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1cc(N)nc(SCCCC(C)C)[nH+]1 ZINC000165415119 361839545 /nfs/dbraw/zinc/83/95/45/361839545.db2.gz KPDDNKGQHMLHFN-UHFFFAOYSA-N 1 2 225.361 2.896 20 0 BFADLO Cc1ccoc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176188416 365687153 /nfs/dbraw/zinc/68/71/53/365687153.db2.gz JTTLMEIAFKMDBH-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CCC(O)(CC)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000180752562 538958770 /nfs/dbraw/zinc/95/87/70/538958770.db2.gz RVEGJBIQBVZMMI-UHFFFAOYSA-N 1 2 247.342 2.550 20 0 BFADLO CC[C@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000083421567 398281613 /nfs/dbraw/zinc/28/16/13/398281613.db2.gz ANRNNMDCPZHRFM-AWEZNQCLSA-N 1 2 230.311 2.808 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000147741813 323011459 /nfs/dbraw/zinc/01/14/59/323011459.db2.gz SCVLQPZUEXXGSM-UHFFFAOYSA-N 1 2 210.227 2.523 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1scnc1C ZINC000623679647 398290265 /nfs/dbraw/zinc/29/02/65/398290265.db2.gz DCNYVIMBWJZNKX-UHFFFAOYSA-N 1 2 220.288 2.586 20 0 BFADLO Cc1nc(C(=O)Nc2c(C)cc[nH+]c2C)c(C)o1 ZINC000335517640 398290350 /nfs/dbraw/zinc/29/03/50/398290350.db2.gz XWMSCCFEQVMXJR-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO c1[nH+]c2n(c1-c1cccc3c1OCO3)CCCC2 ZINC000630052078 361919758 /nfs/dbraw/zinc/91/97/58/361919758.db2.gz DPNLWDIWQGIDJB-UHFFFAOYSA-N 1 2 242.278 2.615 20 0 BFADLO COc1ccc[nH+]c1N1CCCC2(CC2)CC1 ZINC000624721590 342821898 /nfs/dbraw/zinc/82/18/98/342821898.db2.gz BGZBBIAFGOPKHV-UHFFFAOYSA-N 1 2 232.327 2.861 20 0 BFADLO CO[C@H]1C[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000624725717 342822539 /nfs/dbraw/zinc/82/25/39/342822539.db2.gz KYWWGLONHJRKLD-KYZUINATSA-N 1 2 246.232 2.690 20 0 BFADLO c1cn(CCNc2nccc3sccc32)c[nH+]1 ZINC000041119980 538974392 /nfs/dbraw/zinc/97/43/92/538974392.db2.gz SBWNHXDOWYXXIQ-UHFFFAOYSA-N 1 2 244.323 2.605 20 0 BFADLO C/C=C/C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000624779463 342828402 /nfs/dbraw/zinc/82/84/02/342828402.db2.gz RWJQDESKDKOCGL-ITDFMYJTSA-N 1 2 231.343 2.968 20 0 BFADLO FC(F)Oc1ccccc1C[NH+]1CC2(CC2)C1 ZINC000449370044 398291521 /nfs/dbraw/zinc/29/15/21/398291521.db2.gz HWXMGZCBRYPPAQ-UHFFFAOYSA-N 1 2 239.265 2.884 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000390329056 539021220 /nfs/dbraw/zinc/02/12/20/539021220.db2.gz KACFWGYKJIRKSQ-BQBZGAKWSA-N 1 2 235.253 2.710 20 0 BFADLO CC(C)[N@@H+](Cc1ccc(O)cc1)CC(F)F ZINC000386861823 539013890 /nfs/dbraw/zinc/01/38/90/539013890.db2.gz ZUHJJHSHMMEUOC-UHFFFAOYSA-N 1 2 229.270 2.868 20 0 BFADLO CC(C)[N@H+](Cc1ccc(O)cc1)CC(F)F ZINC000386861823 539013892 /nfs/dbraw/zinc/01/38/92/539013892.db2.gz ZUHJJHSHMMEUOC-UHFFFAOYSA-N 1 2 229.270 2.868 20 0 BFADLO C[C@H](C1CC1)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625060664 342847325 /nfs/dbraw/zinc/84/73/25/342847325.db2.gz JGUVWRGEYWFXJE-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H](C1CC1)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625060664 342847326 /nfs/dbraw/zinc/84/73/26/342847326.db2.gz JGUVWRGEYWFXJE-SECBINFHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1C[C@H](C)C[NH+](Cc2noc(C3CCC3)n2)C1 ZINC000625066714 342847881 /nfs/dbraw/zinc/84/78/81/342847881.db2.gz WYHDARPIUIGWRD-QWRGUYRKSA-N 1 2 249.358 2.815 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCC[C@H]1C1CC1 ZINC000625136495 342887452 /nfs/dbraw/zinc/88/74/52/342887452.db2.gz RTUGSFKZXBDJHN-LBPRGKRZSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCC[C@H]1C1CC1 ZINC000625136495 342887453 /nfs/dbraw/zinc/88/74/53/342887453.db2.gz RTUGSFKZXBDJHN-LBPRGKRZSA-N 1 2 247.342 2.712 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC=CCC1 ZINC000336085121 398315014 /nfs/dbraw/zinc/31/50/14/398315014.db2.gz VZOBAWKAPCQJPL-GFCCVEGCSA-N 1 2 230.311 2.993 20 0 BFADLO COc1cccc([C@H](C)[N@H+](C)Cc2ccon2)c1 ZINC000351481705 136245906 /nfs/dbraw/zinc/24/59/06/136245906.db2.gz YALNZFCIYLGMJO-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1cccc([C@H](C)[N@@H+](C)Cc2ccon2)c1 ZINC000351481705 136245907 /nfs/dbraw/zinc/24/59/07/136245907.db2.gz YALNZFCIYLGMJO-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO Fc1ccc(Cl)c(Cn2cc[nH+]c2)c1 ZINC000165323299 342910710 /nfs/dbraw/zinc/91/07/10/342910710.db2.gz AMNCBSRDMMKWHB-UHFFFAOYSA-N 1 2 210.639 2.724 20 0 BFADLO C[C@H]([NH2+][C@H]1CCC12CCC2)C(=O)OC(C)(C)C ZINC000602611955 349635441 /nfs/dbraw/zinc/63/54/41/349635441.db2.gz OQHPNWJNRCQBBG-QWRGUYRKSA-N 1 2 239.359 2.639 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ncccc1Cl ZINC000625179891 342902615 /nfs/dbraw/zinc/90/26/15/342902615.db2.gz UYBWIRSEVHMCGU-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ncccc1Cl ZINC000625179891 342902616 /nfs/dbraw/zinc/90/26/16/342902616.db2.gz UYBWIRSEVHMCGU-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]([N@H+](C)Cc1noc(C2CCC2)n1)C1(C)CC1 ZINC000625217166 342917865 /nfs/dbraw/zinc/91/78/65/342917865.db2.gz MDXXLHVDOSGRDC-SNVBAGLBSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@@H]([N@@H+](C)Cc1noc(C2CCC2)n1)C1(C)CC1 ZINC000625217166 342917866 /nfs/dbraw/zinc/91/78/66/342917866.db2.gz MDXXLHVDOSGRDC-SNVBAGLBSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221985 342919652 /nfs/dbraw/zinc/91/96/52/342919652.db2.gz FFEQYJHXFRGSMH-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221985 342919653 /nfs/dbraw/zinc/91/96/53/342919653.db2.gz FFEQYJHXFRGSMH-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO Fc1c[nH+]ccc1NCc1ccc(Cl)o1 ZINC000335622091 398341964 /nfs/dbraw/zinc/34/19/64/398341964.db2.gz UWOWWQWJVXMZAJ-UHFFFAOYSA-N 1 2 226.638 2.501 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=CC1CCCC1 ZINC000493616813 529502119 /nfs/dbraw/zinc/50/21/19/529502119.db2.gz AGIDZSNHNBBAGE-FPLPWBNLSA-N 1 2 244.338 2.751 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000351830378 136256195 /nfs/dbraw/zinc/25/61/95/136256195.db2.gz SFDUPRPUGYXCLC-LBPRGKRZSA-N 1 2 243.709 2.980 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cccc(O)c2Cl)C1 ZINC000351830378 136256196 /nfs/dbraw/zinc/25/61/96/136256196.db2.gz SFDUPRPUGYXCLC-LBPRGKRZSA-N 1 2 243.709 2.980 20 0 BFADLO CC[C@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625249177 342969189 /nfs/dbraw/zinc/96/91/89/342969189.db2.gz DZVQHAKFDZUPIP-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625249177 342969191 /nfs/dbraw/zinc/96/91/91/342969191.db2.gz DZVQHAKFDZUPIP-VIFPVBQESA-N 1 2 223.320 2.567 20 0 BFADLO CCCC(CCC)C(=O)Nc1ccc(N)[nH+]c1 ZINC000211952281 343017406 /nfs/dbraw/zinc/01/74/06/343017406.db2.gz LFJJKKQUJIWJMM-UHFFFAOYSA-N 1 2 235.331 2.819 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(C)ccc1C ZINC000279293102 178481373 /nfs/dbraw/zinc/48/13/73/178481373.db2.gz YLRXOOYYPMRJHT-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO CC1C[NH+](Cc2cnc(C(F)(F)F)s2)C1 ZINC000335909669 136262159 /nfs/dbraw/zinc/26/21/59/136262159.db2.gz JZKXVXZEYBTXIV-UHFFFAOYSA-N 1 2 236.262 2.614 20 0 BFADLO CC[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000221182412 259345585 /nfs/dbraw/zinc/34/55/85/259345585.db2.gz DZLJGFHXNRVTFR-SGMGOOAPSA-N 1 2 249.354 2.925 20 0 BFADLO CC[C@](C)([NH2+]C[C@@H]1C[C@@H]1C)C(F)(F)F ZINC000625258940 343125751 /nfs/dbraw/zinc/12/57/51/343125751.db2.gz WGKIBOFUUFUPAJ-CIUDSAMLSA-N 1 2 209.255 2.963 20 0 BFADLO Cc1cc(NC(=O)Nc2ccc(C)[nH+]c2C)no1 ZINC000176313251 365717147 /nfs/dbraw/zinc/71/71/47/365717147.db2.gz IZQMXELFVAIRPG-UHFFFAOYSA-N 1 2 246.270 2.639 20 0 BFADLO Cc1cc(CNC(=O)CC2(C)CC2)cc(C)[nH+]1 ZINC000421581355 192356425 /nfs/dbraw/zinc/35/64/25/192356425.db2.gz YFLNGKOEVBONAY-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO Cc1ccc(NCc2[nH+]ccn2C)cc1Cl ZINC000036804471 343324588 /nfs/dbraw/zinc/32/45/88/343324588.db2.gz UCMOHYAQEHJEAT-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CCOc1ccc([NH2+]C2CCCC2)cc1CO ZINC000037901436 343359887 /nfs/dbraw/zinc/35/98/87/343359887.db2.gz BHDMPOUNHNKASD-UHFFFAOYSA-N 1 2 235.327 2.932 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccccn2)oc1C ZINC000037909397 343360557 /nfs/dbraw/zinc/36/05/57/343360557.db2.gz VPLXRKMWTCYPNL-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccnc2)oc1C ZINC000037909393 343360559 /nfs/dbraw/zinc/36/05/59/343360559.db2.gz YQYUBOJMXAOKCF-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CC[C@@H]([NH2+]Cc1nc(C)no1)c1cccs1 ZINC000038034319 343366751 /nfs/dbraw/zinc/36/67/51/343366751.db2.gz CFRNYWBJPFPTDU-SECBINFHSA-N 1 2 237.328 2.680 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000335663882 136315873 /nfs/dbraw/zinc/31/58/73/136315873.db2.gz SMAVHLQRLNEGGQ-AWEZNQCLSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000335663882 136315874 /nfs/dbraw/zinc/31/58/74/136315874.db2.gz SMAVHLQRLNEGGQ-AWEZNQCLSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1cc(Cn2cc(/C=C/C(C)C)nn2)cc[nH+]1 ZINC000641087932 362210189 /nfs/dbraw/zinc/21/01/89/362210189.db2.gz BWAYUSOPCAYBCJ-SNAWJCMRSA-N 1 2 242.326 2.699 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@](C)(F)C2)cs1 ZINC000335740917 136352279 /nfs/dbraw/zinc/35/22/79/136352279.db2.gz ANEOEMWCQIIWMA-LLVKDONJSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@](C)(F)C2)cs1 ZINC000335740917 136352280 /nfs/dbraw/zinc/35/22/80/136352280.db2.gz ANEOEMWCQIIWMA-LLVKDONJSA-N 1 2 228.336 2.639 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccon1 ZINC000349206136 136331680 /nfs/dbraw/zinc/33/16/80/136331680.db2.gz XRLKOVRGOHASOY-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000349245909 136332834 /nfs/dbraw/zinc/33/28/34/136332834.db2.gz SBCVJCONANLJBM-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO CCc1cc(N[C@@H]2CCC[C@H]2C)nc[nH+]1 ZINC000070832904 343436351 /nfs/dbraw/zinc/43/63/51/343436351.db2.gz AMQAITVHRXTZFF-MWLCHTKSSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ccon2)cc1F ZINC000351579419 136369480 /nfs/dbraw/zinc/36/94/80/136369480.db2.gz IWIPUEYDIQKQAY-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO COC(=O)C(C)(C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000043533726 343477403 /nfs/dbraw/zinc/47/74/03/343477403.db2.gz POUJIDHQKNCSHT-LBPRGKRZSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1C ZINC000577012916 365765855 /nfs/dbraw/zinc/76/58/55/365765855.db2.gz VFSNUMZEMVNSSU-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000049368630 343596952 /nfs/dbraw/zinc/59/69/52/343596952.db2.gz FXVDQSWYPJSJBF-DGCLKSJQSA-N 1 2 235.327 2.679 20 0 BFADLO CC1(C)CN(c2cccc[nH+]2)[C@@H]2CCC[C@H]2O1 ZINC000335863125 344034896 /nfs/dbraw/zinc/03/48/96/344034896.db2.gz VSZFQFGWLITFEO-VXGBXAGGSA-N 1 2 232.327 2.618 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000049591179 343603964 /nfs/dbraw/zinc/60/39/64/343603964.db2.gz HFJMWNXIGKBQFQ-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574360 192363885 /nfs/dbraw/zinc/36/38/85/192363885.db2.gz FPDDVYWCLLQPJH-UKRRQHHQSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cc(CNC(=O)C(C)(C)C2CC2)cc(C)[nH+]1 ZINC000421574123 192364113 /nfs/dbraw/zinc/36/41/13/192364113.db2.gz DGAKRDRZLMYKAD-UHFFFAOYSA-N 1 2 246.354 2.751 20 0 BFADLO Brc1csc(Cn2cc[nH+]c2)c1 ZINC000043687405 343700378 /nfs/dbraw/zinc/70/03/78/343700378.db2.gz WCDBQHKILZPIAT-UHFFFAOYSA-N 1 2 243.129 2.755 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H]2CCCCO2)c(C)[nH+]1 ZINC000178470929 346955295 /nfs/dbraw/zinc/95/52/95/346955295.db2.gz PVUMUILIHRQZRQ-GFCCVEGCSA-N 1 2 248.326 2.514 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2)no1 ZINC000061779073 343728982 /nfs/dbraw/zinc/72/89/82/343728982.db2.gz CXCDJIWFSHUAJW-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccc(F)cc2)no1 ZINC000061779073 343728983 /nfs/dbraw/zinc/72/89/83/343728983.db2.gz CXCDJIWFSHUAJW-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccon1 ZINC000336444403 537812025 /nfs/dbraw/zinc/81/20/25/537812025.db2.gz ZNDLQWYFSZGDRS-PSASIEDQSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccon1 ZINC000336444403 537812030 /nfs/dbraw/zinc/81/20/30/537812030.db2.gz ZNDLQWYFSZGDRS-PSASIEDQSA-N 1 2 248.248 2.837 20 0 BFADLO Cc1noc(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000064337705 343757474 /nfs/dbraw/zinc/75/74/74/343757474.db2.gz XCXRQLPNWGUNTE-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO CNc1cc(NCc2ccc(Cl)cc2)nc[nH+]1 ZINC000128177753 343787649 /nfs/dbraw/zinc/78/76/49/343787649.db2.gz SBBLMCLZHCNEII-UHFFFAOYSA-N 1 2 248.717 2.784 20 0 BFADLO CNc1cc(NCc2ccc(Cl)cc2)[nH+]cn1 ZINC000128177753 343787651 /nfs/dbraw/zinc/78/76/51/343787651.db2.gz SBBLMCLZHCNEII-UHFFFAOYSA-N 1 2 248.717 2.784 20 0 BFADLO CC(C)CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000620287635 343889025 /nfs/dbraw/zinc/88/90/25/343889025.db2.gz RKHSMAAYWKWKBN-GFCCVEGCSA-N 1 2 249.358 2.529 20 0 BFADLO FC1(F)C[C@H]2CC[C@@H](C1)N2c1cccc[nH+]1 ZINC000624462861 343892792 /nfs/dbraw/zinc/89/27/92/343892792.db2.gz HTNZZSQIABOFBD-AOOOYVTPSA-N 1 2 224.254 2.848 20 0 BFADLO CC[N@H+](Cc1nccn1C)Cc1ccc(C)cc1 ZINC000624483166 343905428 /nfs/dbraw/zinc/90/54/28/343905428.db2.gz YVNAIUWGFGUWCU-UHFFFAOYSA-N 1 2 243.354 2.751 20 0 BFADLO CC[N@@H+](Cc1nccn1C)Cc1ccc(C)cc1 ZINC000624483166 343905429 /nfs/dbraw/zinc/90/54/29/343905429.db2.gz YVNAIUWGFGUWCU-UHFFFAOYSA-N 1 2 243.354 2.751 20 0 BFADLO COc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000180187135 347017015 /nfs/dbraw/zinc/01/70/15/347017015.db2.gz SRZGIWLTAKXUFC-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO COc1ccc(CNc2c[nH+]ccc2C)cc1O ZINC000071413083 192367342 /nfs/dbraw/zinc/36/73/42/192367342.db2.gz NRFOCBZMFIOVTK-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccccc2C)[nH]c1C ZINC000628119663 343968121 /nfs/dbraw/zinc/96/81/21/343968121.db2.gz FNHLFRFKDWQWTC-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccccc2C)[nH]c1C ZINC000628119663 343968123 /nfs/dbraw/zinc/96/81/23/343968123.db2.gz FNHLFRFKDWQWTC-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccccc2C)[nH+]c1C ZINC000628119663 343968125 /nfs/dbraw/zinc/96/81/25/343968125.db2.gz FNHLFRFKDWQWTC-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cncc(C[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625727839 344059163 /nfs/dbraw/zinc/05/91/63/344059163.db2.gz NJGLSCUDJTZFKC-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cncc(C[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000625727839 344059166 /nfs/dbraw/zinc/05/91/66/344059166.db2.gz NJGLSCUDJTZFKC-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Oc1ccc2c(c1)C[N@@H+](CCOCC1CCC1)C2 ZINC000625728246 344059862 /nfs/dbraw/zinc/05/98/62/344059862.db2.gz CBDIVBIHDJNJMV-UHFFFAOYSA-N 1 2 247.338 2.525 20 0 BFADLO Oc1ccc2c(c1)C[N@H+](CCOCC1CCC1)C2 ZINC000625728246 344059863 /nfs/dbraw/zinc/05/98/63/344059863.db2.gz CBDIVBIHDJNJMV-UHFFFAOYSA-N 1 2 247.338 2.525 20 0 BFADLO C[C@@H](Cc1cccs1)Nc1cc[nH+]cc1F ZINC000641285975 362345731 /nfs/dbraw/zinc/34/57/31/362345731.db2.gz NVFMEEHBQAWZLA-VIFPVBQESA-N 1 2 236.315 2.747 20 0 BFADLO CCCCc1noc(C[NH+](C2CC2)C2CC2)n1 ZINC000625834682 344089010 /nfs/dbraw/zinc/08/90/10/344089010.db2.gz NJLMXHZFNDPSLB-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO Cc1cc(CNc2c[nH]c[nH+]2)c(C)s1 ZINC000306367256 344133192 /nfs/dbraw/zinc/13/31/92/344133192.db2.gz BOVILXHQKLIKDO-UHFFFAOYSA-N 1 2 207.302 2.700 20 0 BFADLO Cc1csc([C@H](C)Nc2cc[nH+]cc2F)n1 ZINC000641336110 362367608 /nfs/dbraw/zinc/36/76/08/362367608.db2.gz BGXSDSVNSNCLBX-QMMMGPOBSA-N 1 2 237.303 2.581 20 0 BFADLO COCCC(C)(C)CNc1[nH+]cccc1OC ZINC000234725079 344231819 /nfs/dbraw/zinc/23/18/19/344231819.db2.gz BGLJLOOPWXKTNF-UHFFFAOYSA-N 1 2 238.331 2.565 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000040727131 344247056 /nfs/dbraw/zinc/24/70/56/344247056.db2.gz JEZSRHBTOSLBJU-GXSJLCMTSA-N 1 2 205.305 2.776 20 0 BFADLO CC(C)c1cc(N2CCC2)nc(C(C)C)[nH+]1 ZINC000090069904 344266301 /nfs/dbraw/zinc/26/63/01/344266301.db2.gz GQHYXPAEXBFIGG-UHFFFAOYSA-N 1 2 219.332 2.934 20 0 BFADLO CCC[C@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000631426424 344266736 /nfs/dbraw/zinc/26/67/36/344266736.db2.gz QNJHSTDPHAVTLZ-CYBMUJFWSA-N 1 2 244.338 2.620 20 0 BFADLO COc1ccc([C@@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000171991687 344273548 /nfs/dbraw/zinc/27/35/48/344273548.db2.gz XENCAFYWECIGNS-LLVKDONJSA-N 1 2 241.281 2.750 20 0 BFADLO COc1ccc([C@@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000171991687 344273550 /nfs/dbraw/zinc/27/35/50/344273550.db2.gz XENCAFYWECIGNS-LLVKDONJSA-N 1 2 241.281 2.750 20 0 BFADLO CCc1noc(CC)c1CNc1cccc[nH+]1 ZINC000088742078 344241482 /nfs/dbraw/zinc/24/14/82/344241482.db2.gz OPXPMMIKYMMWHD-UHFFFAOYSA-N 1 2 231.299 2.807 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2cncs2)on1 ZINC000168170151 344327634 /nfs/dbraw/zinc/32/76/34/344327634.db2.gz YOIAFQSJFGQYPM-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO C[C@@H](Nc1cc(CO)cc[nH+]1)C1CCCC1 ZINC000641377042 362380839 /nfs/dbraw/zinc/38/08/39/362380839.db2.gz QFUBDHPUYHQSLX-SNVBAGLBSA-N 1 2 220.316 2.565 20 0 BFADLO Cc1cc(CNc2cc(CO)cc[nH+]2)c(C)s1 ZINC000641392687 362390815 /nfs/dbraw/zinc/39/08/15/362390815.db2.gz KYEGOGSQECLRCH-UHFFFAOYSA-N 1 2 248.351 2.864 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1ccco1 ZINC000042226063 344447698 /nfs/dbraw/zinc/44/76/98/344447698.db2.gz CKSXYQVCLDVPKI-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO COC(=O)[C@@H]([NH2+]C(C)C)c1ccc(C)c(C)c1 ZINC000037445870 344507081 /nfs/dbraw/zinc/50/70/81/344507081.db2.gz ITVYLGQRSGNNKK-ZDUSSCGKSA-N 1 2 235.327 2.516 20 0 BFADLO CCC[C@H](C)[C@@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641446304 362423076 /nfs/dbraw/zinc/42/30/76/362423076.db2.gz DZLJJPLJHFCPTB-JSGCOSHPSA-N 1 2 248.370 2.979 20 0 BFADLO CC(C)[C@H]1CCN(c2cc[nH+]cc2F)C1 ZINC000641429169 362413165 /nfs/dbraw/zinc/41/31/65/362413165.db2.gz SXKMCGOSKQYKBO-JTQLQIEISA-N 1 2 208.280 2.703 20 0 BFADLO CC(C)C[C@H]1CCCCN1c1cc(CO)cc[nH+]1 ZINC000641431838 362414366 /nfs/dbraw/zinc/41/43/66/362414366.db2.gz COHODBPRNUMJHR-CQSZACIVSA-N 1 2 248.370 2.979 20 0 BFADLO CC(C)C[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641435605 362417743 /nfs/dbraw/zinc/41/77/43/362417743.db2.gz WTLHWVKKEXKOKM-CYBMUJFWSA-N 1 2 248.370 2.836 20 0 BFADLO Cc1occc1SCc1cn(C)c[nH+]1 ZINC000641475943 362448392 /nfs/dbraw/zinc/44/83/92/362448392.db2.gz VGQPEMUWWTYGIA-UHFFFAOYSA-N 1 2 208.286 2.614 20 0 BFADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@H]2CCCC[C@H]12 ZINC000641485641 362456107 /nfs/dbraw/zinc/45/61/07/362456107.db2.gz JIZTWTRTFJCFJL-BNOWGMLFSA-N 1 2 246.354 2.589 20 0 BFADLO C[C@@H](CCC1CC1)Nc1cc(CO)cc[nH+]1 ZINC000641496476 362462006 /nfs/dbraw/zinc/46/20/06/362462006.db2.gz MGFISEHQSAFICH-JTQLQIEISA-N 1 2 220.316 2.565 20 0 BFADLO Cc1cnc(SCc2cn(C)c[nH+]2)c(C)c1 ZINC000641522653 362479455 /nfs/dbraw/zinc/47/94/55/362479455.db2.gz WKNADMGAMTXULZ-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2sccc2C)o1 ZINC000075591005 344780227 /nfs/dbraw/zinc/78/02/27/344780227.db2.gz WORAUGNOORLUSX-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2sccc2C)o1 ZINC000075591005 344780230 /nfs/dbraw/zinc/78/02/30/344780230.db2.gz WORAUGNOORLUSX-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H](C)[C@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000076203682 344799640 /nfs/dbraw/zinc/79/96/40/344799640.db2.gz LYEQVVXZCBJPGF-NHCYSSNCSA-N 1 2 249.358 2.663 20 0 BFADLO c1ccc([C@@H]2CN(c3cccc[nH+]3)CCO2)cc1 ZINC000076605862 344804779 /nfs/dbraw/zinc/80/47/79/344804779.db2.gz FDISUIUPUQRUCN-AWEZNQCLSA-N 1 2 240.306 2.660 20 0 BFADLO CC(C)Oc1ccc(CNc2cccc[nH+]2)cn1 ZINC000076805680 344806886 /nfs/dbraw/zinc/80/68/86/344806886.db2.gz BOLMKKLBSJJTIX-UHFFFAOYSA-N 1 2 243.310 2.876 20 0 BFADLO OCC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000077238265 344813612 /nfs/dbraw/zinc/81/36/12/344813612.db2.gz VJSLDVPDJTVFEL-CYBMUJFWSA-N 1 2 228.295 2.617 20 0 BFADLO Cc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC000078264844 344841287 /nfs/dbraw/zinc/84/12/87/344841287.db2.gz FWYLTGJSHKOBHE-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO CCc1ccc(C[NH2+]Cc2ncc(C)o2)s1 ZINC000234198617 537863223 /nfs/dbraw/zinc/86/32/23/537863223.db2.gz ANQODXKFWDYVQS-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO CCc1cc(NCC(C)(C)CC)nc[nH+]1 ZINC000234137880 537863786 /nfs/dbraw/zinc/86/37/86/537863786.db2.gz RIBOBSNPTVZERT-UHFFFAOYSA-N 1 2 207.321 2.887 20 0 BFADLO Cc1[nH]c(CN(C)Cc2ccoc2C)[nH+]c1C ZINC000628153220 344843357 /nfs/dbraw/zinc/84/33/57/344843357.db2.gz FTESGFKKIIONNB-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)n1 ZINC000628169372 344884588 /nfs/dbraw/zinc/88/45/88/344884588.db2.gz AVVHXVBBUPNGMU-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@@H](C)c2cccc(O)c2)n1 ZINC000628169372 344884589 /nfs/dbraw/zinc/88/45/89/344884589.db2.gz AVVHXVBBUPNGMU-NSHDSACASA-N 1 2 245.326 2.617 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2COc3ccc(C)cc32)on1 ZINC000631089453 344889351 /nfs/dbraw/zinc/88/93/51/344889351.db2.gz LXZGREIUSKERDZ-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO CC[C@@H](C)CC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000394407545 344976624 /nfs/dbraw/zinc/97/66/24/344976624.db2.gz MJDHHGXVAUMIIB-OCCSQVGLSA-N 1 2 249.354 2.927 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccn1 ZINC000628199269 344969176 /nfs/dbraw/zinc/96/91/76/344969176.db2.gz KZYDGYZBEOTAOL-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1cccs1 ZINC000122686042 344969277 /nfs/dbraw/zinc/96/92/77/344969277.db2.gz XLOQOXHOBLRIPK-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1cccs1 ZINC000122686042 344969280 /nfs/dbraw/zinc/96/92/80/344969280.db2.gz XLOQOXHOBLRIPK-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CCCc1nc(C)c(CNc2cc[nH+]cc2F)o1 ZINC000641608818 362543314 /nfs/dbraw/zinc/54/33/14/362543314.db2.gz YSOYVKFUBKYYDP-UHFFFAOYSA-N 1 2 249.289 2.504 20 0 BFADLO C[C@@H]1C[C@H](C)CN(c2cc[nH+]cc2F)C1 ZINC000678786344 488282647 /nfs/dbraw/zinc/28/26/47/488282647.db2.gz IILAVINZJJPUQJ-AOOOYVTPSA-N 1 2 208.280 2.703 20 0 BFADLO CCCCC[C@@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000080208944 345120154 /nfs/dbraw/zinc/12/01/54/345120154.db2.gz ZKEUXSUXNMSXDB-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H](c2cccnc2)C1 ZINC000641646571 362573564 /nfs/dbraw/zinc/57/35/64/362573564.db2.gz VLGCTHNXKDOFJF-LBPRGKRZSA-N 1 2 243.285 2.610 20 0 BFADLO CCc1noc(C[N@@H+](CC)Cc2ccccc2)n1 ZINC000248274904 345099182 /nfs/dbraw/zinc/09/91/82/345099182.db2.gz XWFYZGZHYDGAOY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1noc(C[N@H+](CC)Cc2ccccc2)n1 ZINC000248274904 345099183 /nfs/dbraw/zinc/09/91/83/345099183.db2.gz XWFYZGZHYDGAOY-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)C(F)(F)F ZINC000080111450 345101152 /nfs/dbraw/zinc/10/11/52/345101152.db2.gz UCAXKZYPQHHGCE-ZETCQYMHSA-N 1 2 232.205 2.527 20 0 BFADLO OCc1cc[nH+]c(N2CCC(C3CCC3)CC2)c1 ZINC000641657311 362581293 /nfs/dbraw/zinc/58/12/93/362581293.db2.gz RZKATPTYBFYJKG-UHFFFAOYSA-N 1 2 246.354 2.590 20 0 BFADLO C[C@@H](CC(C)(C)C)Nc1cc(CO)cc[nH+]1 ZINC000641626313 362555297 /nfs/dbraw/zinc/55/52/97/362555297.db2.gz IWZLZNSTYOWMKF-JTQLQIEISA-N 1 2 222.332 2.811 20 0 BFADLO CC[C@H](Nc1cc(CO)cc[nH+]1)C1CCCC1 ZINC000641629510 362560176 /nfs/dbraw/zinc/56/01/76/362560176.db2.gz MBECOSBDUOIRHT-ZDUSSCGKSA-N 1 2 234.343 2.955 20 0 BFADLO C[C@@H]1CC(C)(C)CN1c1cc[nH+]cc1F ZINC000641633585 362561674 /nfs/dbraw/zinc/56/16/74/362561674.db2.gz GGCZNTXTXCYHNU-SECBINFHSA-N 1 2 208.280 2.846 20 0 BFADLO Fc1cc(C2CC2)ccc1C[NH2+]Cc1ccon1 ZINC000634981689 345161793 /nfs/dbraw/zinc/16/17/93/345161793.db2.gz PLJKGDFYBGTQCU-UHFFFAOYSA-N 1 2 246.285 2.981 20 0 BFADLO CCCC[C@H](CC)CC(=O)NCc1c[nH+]c[nH]1 ZINC000359138135 345186816 /nfs/dbraw/zinc/18/68/16/345186816.db2.gz IFKQGVIQHKRZHT-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCCC[C@H](CC)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359138135 345186819 /nfs/dbraw/zinc/18/68/19/345186819.db2.gz IFKQGVIQHKRZHT-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CCC(CC)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635087441 345243625 /nfs/dbraw/zinc/24/36/25/345243625.db2.gz HIMCADPKUNGXLB-UHFFFAOYSA-N 1 2 245.326 2.561 20 0 BFADLO CC[N@H+](Cc1nc(C)cs1)Cc1ccccn1 ZINC000131329176 345296247 /nfs/dbraw/zinc/29/62/47/345296247.db2.gz UXDXWHGHELDMNN-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1nc(C)cs1)Cc1ccccn1 ZINC000131329176 345296251 /nfs/dbraw/zinc/29/62/51/345296251.db2.gz UXDXWHGHELDMNN-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO Cc1nc(N[C@H]2CC23CC3)c2c([nH+]1)CCCC2 ZINC000425277102 192086927 /nfs/dbraw/zinc/08/69/27/192086927.db2.gz XBRHVYZNYWIQOB-LBPRGKRZSA-N 1 2 229.327 2.628 20 0 BFADLO Cc1cc(N[C@H]2C[C@]2(F)c2ccccc2)nc[nH+]1 ZINC000425274004 192087049 /nfs/dbraw/zinc/08/70/49/192087049.db2.gz QAGXECRHXZTOEK-JSGCOSHPSA-N 1 2 243.285 2.834 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C)C1 ZINC000425274856 192087884 /nfs/dbraw/zinc/08/78/84/192087884.db2.gz MQCVMHDGMBMVIT-GHMZBOCLSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)[C@H](C)C1 ZINC000425274856 192087886 /nfs/dbraw/zinc/08/78/86/192087886.db2.gz MQCVMHDGMBMVIT-GHMZBOCLSA-N 1 2 246.358 2.676 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC[C@H]2C)[nH+]1 ZINC000080944801 345454309 /nfs/dbraw/zinc/45/43/09/345454309.db2.gz MNLAUTNMJMYWJC-SECBINFHSA-N 1 2 230.315 2.645 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@H]2C)[nH+]1 ZINC000080980345 345457995 /nfs/dbraw/zinc/45/79/95/345457995.db2.gz LKAHBKXPVBOWLY-KCJUWKMLSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000081017723 345461655 /nfs/dbraw/zinc/46/16/55/345461655.db2.gz XNGMNGRORBNDFL-RTXFEEFZSA-N 1 2 231.343 2.942 20 0 BFADLO CCCCOc1ccccc1C[NH+]1CCOCC1 ZINC000136132518 345480076 /nfs/dbraw/zinc/48/00/76/345480076.db2.gz ZCTYUSIARNQHPW-UHFFFAOYSA-N 1 2 249.354 2.698 20 0 BFADLO CC(C)c1cc(N[C@H](C)CO)nc(C(C)C)[nH+]1 ZINC000090070118 345564758 /nfs/dbraw/zinc/56/47/58/345564758.db2.gz ZOFFJNYLGZNLFO-SNVBAGLBSA-N 1 2 237.347 2.516 20 0 BFADLO C[N@H+](CC(F)F)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000092509027 345626168 /nfs/dbraw/zinc/62/61/68/345626168.db2.gz AVHORXMUBDNFOK-NWDGAFQWSA-N 1 2 225.282 2.987 20 0 BFADLO C[N@@H+](CC(F)F)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000092509027 345626171 /nfs/dbraw/zinc/62/61/71/345626171.db2.gz AVHORXMUBDNFOK-NWDGAFQWSA-N 1 2 225.282 2.987 20 0 BFADLO CC1(C[NH2+]c2ccc(-n3ccnn3)cc2)CCC1 ZINC000434780230 537901142 /nfs/dbraw/zinc/90/11/42/537901142.db2.gz XOQPEECLBVYIIQ-UHFFFAOYSA-N 1 2 242.326 2.869 20 0 BFADLO C/C=C/C[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641679638 362601209 /nfs/dbraw/zinc/60/12/09/362601209.db2.gz ANITWBOOVIONRC-YWVDXFKGSA-N 1 2 246.354 2.757 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cc(C)no2)o1 ZINC000641718331 362633068 /nfs/dbraw/zinc/63/30/68/362633068.db2.gz WWKFACCHLYBTKC-UHFFFAOYSA-N 1 2 238.312 2.588 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000307464265 345796651 /nfs/dbraw/zinc/79/66/51/345796651.db2.gz LEQGJATXOIYOHP-BZNPZCIMSA-N 1 2 207.239 2.715 20 0 BFADLO CCC(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074859411 345981927 /nfs/dbraw/zinc/98/19/27/345981927.db2.gz UTRFUIYQGAVPLY-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CO[C@H]1CCC[C@H](Nc2ccc[nH+]c2C)C1 ZINC000234837453 537931361 /nfs/dbraw/zinc/93/13/61/537931361.db2.gz QJBGBNMSWHCWLZ-RYUDHWBXSA-N 1 2 220.316 2.760 20 0 BFADLO CC[C@H]([NH2+]Cc1sc(C)nc1C)C(F)F ZINC000449364802 201883264 /nfs/dbraw/zinc/88/32/64/201883264.db2.gz UFFNVBUGXBAPRA-QMMMGPOBSA-N 1 2 234.315 2.893 20 0 BFADLO CC[C@@H]([NH2+]C/C=C\c1ccncc1)C(F)F ZINC000449364121 201884571 /nfs/dbraw/zinc/88/45/71/201884571.db2.gz RBCPXZKWEXKIMH-DLRQAJBASA-N 1 2 226.270 2.728 20 0 BFADLO CC[C@@H](NC(=O)CC(C)=C(C)C)c1[nH]cc[nH+]1 ZINC000635806678 346072802 /nfs/dbraw/zinc/07/28/02/346072802.db2.gz JTAHYNFGTRNUKN-LLVKDONJSA-N 1 2 235.331 2.723 20 0 BFADLO CC(C)=CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635845934 346089167 /nfs/dbraw/zinc/08/91/67/346089167.db2.gz PULKQIZVLWLOBC-CYBMUJFWSA-N 1 2 249.358 2.553 20 0 BFADLO CC(C)=C(C)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000635994678 346144191 /nfs/dbraw/zinc/14/41/91/346144191.db2.gz IDIHCSQZTUUGAJ-NWDGAFQWSA-N 1 2 247.342 2.752 20 0 BFADLO CC/C=C/CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635984332 346137969 /nfs/dbraw/zinc/13/79/69/346137969.db2.gz QXZAIIYWMBNOLD-GFUIURDCSA-N 1 2 249.358 2.553 20 0 BFADLO CC(C)(NC(=O)C1CCC=CCC1)c1[nH]cc[nH+]1 ZINC000635998054 346150179 /nfs/dbraw/zinc/15/01/79/346150179.db2.gz MIGDXFARTIEHHQ-UHFFFAOYSA-N 1 2 247.342 2.507 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(C)(F)F ZINC000449413402 201910135 /nfs/dbraw/zinc/91/01/35/201910135.db2.gz ILYXWUBTIKXSGQ-MRVPVSSYSA-N 1 2 239.269 2.696 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C[C@H]1F ZINC000628234751 346188238 /nfs/dbraw/zinc/18/82/38/346188238.db2.gz LSOXFTLWTYLCEI-BXKDBHETSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)o2)C[C@H]1F ZINC000628234751 346188241 /nfs/dbraw/zinc/18/82/41/346188241.db2.gz LSOXFTLWTYLCEI-BXKDBHETSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1c[nH]c(CN2CCc3cc(F)c(F)cc32)[nH+]1 ZINC000628235919 346189547 /nfs/dbraw/zinc/18/95/47/346189547.db2.gz IUWNSRCVTWCJCD-UHFFFAOYSA-N 1 2 249.264 2.559 20 0 BFADLO Cc1c[nH]c(CN2CCCc3ccc(F)cc32)[nH+]1 ZINC000628236291 346190395 /nfs/dbraw/zinc/19/03/95/346190395.db2.gz WMKHYFIHPOQDAW-UHFFFAOYSA-N 1 2 245.301 2.810 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(F)cc2C)n1 ZINC000628251404 346221909 /nfs/dbraw/zinc/22/19/09/346221909.db2.gz FVMIKMKUFSLXFY-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(F)cc2C)n1 ZINC000628251404 346221910 /nfs/dbraw/zinc/22/19/10/346221910.db2.gz FVMIKMKUFSLXFY-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1O ZINC000684414434 488309749 /nfs/dbraw/zinc/30/97/49/488309749.db2.gz JANIFFQPRHSSTQ-UHFFFAOYSA-N 1 2 245.269 2.534 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1ccon1 ZINC000265754055 179033462 /nfs/dbraw/zinc/03/34/62/179033462.db2.gz FWLGBLHFTVQINZ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1ccon1 ZINC000265754055 179033465 /nfs/dbraw/zinc/03/34/65/179033465.db2.gz FWLGBLHFTVQINZ-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CC(F)(F)C1 ZINC000628281865 346291764 /nfs/dbraw/zinc/29/17/64/346291764.db2.gz CORKNEAPXVYJAT-RITPCOANSA-N 1 2 231.208 2.961 20 0 BFADLO c1[nH]cc(N[C@@H]2CCCC[C@@H]2C2CC2)[nH+]1 ZINC000309087411 349950872 /nfs/dbraw/zinc/95/08/72/349950872.db2.gz ZNRIYLOCBYMMHF-GHMZBOCLSA-N 1 2 205.305 2.790 20 0 BFADLO Cc1cccc(C)c1OCCOCc1[nH]cc[nH+]1 ZINC000123706901 179046371 /nfs/dbraw/zinc/04/63/71/179046371.db2.gz CSTGAMAGULVXNN-UHFFFAOYSA-N 1 2 246.310 2.622 20 0 BFADLO CC[C@@H]([NH2+]C1CC(CC)C1)C(=O)OC(C)(C)C ZINC000577083977 365809731 /nfs/dbraw/zinc/80/97/31/365809731.db2.gz ZFMBBUWFCLVOCK-HTAVTVPLSA-N 1 2 241.375 2.885 20 0 BFADLO CSc1ccc(C[NH2+]Cc2conc2C)o1 ZINC000641775168 362716163 /nfs/dbraw/zinc/71/61/63/362716163.db2.gz WSAGJWGYDUDBQE-UHFFFAOYSA-N 1 2 238.312 2.588 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cnccn2)c1F ZINC000294793872 179070073 /nfs/dbraw/zinc/07/00/73/179070073.db2.gz KXSHHKVGSHGXJN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cnccn2)c1F ZINC000294793872 179070075 /nfs/dbraw/zinc/07/00/75/179070075.db2.gz KXSHHKVGSHGXJN-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2nccn2C)c1C ZINC000272859432 179070087 /nfs/dbraw/zinc/07/00/87/179070087.db2.gz UQBOSBHLPHMMPL-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2nccn2C)c1C ZINC000272859432 179070090 /nfs/dbraw/zinc/07/00/90/179070090.db2.gz UQBOSBHLPHMMPL-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccc(C)c2)o1 ZINC000299072989 179070343 /nfs/dbraw/zinc/07/03/43/179070343.db2.gz WTAKAUNRMTZHNX-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000299072989 179070345 /nfs/dbraw/zinc/07/03/45/179070345.db2.gz WTAKAUNRMTZHNX-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Oc1ccc([C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000603409679 349958977 /nfs/dbraw/zinc/95/89/77/349958977.db2.gz NEWUXOLOHMBKGQ-NSHDSACASA-N 1 2 227.254 2.794 20 0 BFADLO Oc1ccc([C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000603409679 349958980 /nfs/dbraw/zinc/95/89/80/349958980.db2.gz NEWUXOLOHMBKGQ-NSHDSACASA-N 1 2 227.254 2.794 20 0 BFADLO C[C@H](N[C@@H](C)C(F)F)c1cn2ccccc2[nH+]1 ZINC000641792247 362726081 /nfs/dbraw/zinc/72/60/81/362726081.db2.gz STCDALMIVUTTPL-IUCAKERBSA-N 1 2 239.269 2.639 20 0 BFADLO C[C@@H](N[C@H](C)C(F)F)c1cn2ccccc2[nH+]1 ZINC000641792248 362726394 /nfs/dbraw/zinc/72/63/94/362726394.db2.gz STCDALMIVUTTPL-RKDXNWHRSA-N 1 2 239.269 2.639 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccncc1 ZINC000641791364 362731448 /nfs/dbraw/zinc/73/14/48/362731448.db2.gz HKWNGRQAVWTXSX-PSASIEDQSA-N 1 2 214.259 2.776 20 0 BFADLO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C(F)F ZINC000641791835 362733280 /nfs/dbraw/zinc/73/32/80/362733280.db2.gz NWOHGEKTMLEUMU-PELKAZGASA-N 1 2 241.281 2.926 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C(F)F ZINC000641793618 362735278 /nfs/dbraw/zinc/73/52/78/362735278.db2.gz LZYUONOKMBMOEG-ZCFIWIBFSA-N 1 2 232.299 2.764 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(C)c1C ZINC000047892416 179094622 /nfs/dbraw/zinc/09/46/22/179094622.db2.gz LFDCXTOVQJVSKV-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO C[C@@H]([NH2+]Cc1cc2ccccc2n1C)C(F)F ZINC000641795161 362738905 /nfs/dbraw/zinc/73/89/05/362738905.db2.gz VBLOPNRXHKGRDH-SECBINFHSA-N 1 2 238.281 2.922 20 0 BFADLO Cc1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000054935923 179102787 /nfs/dbraw/zinc/10/27/87/179102787.db2.gz HYYRPNKEFXJRQB-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1cccc(N(C)c2[nH+]cccc2N)c1 ZINC000049979861 179118014 /nfs/dbraw/zinc/11/80/14/179118014.db2.gz MZZMSVAVQUYTCB-UHFFFAOYSA-N 1 2 213.284 2.740 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc(F)cc1 ZINC000382444655 346587471 /nfs/dbraw/zinc/58/74/71/346587471.db2.gz YOFQFDGBUBBUFJ-UHFFFAOYSA-N 1 2 203.207 2.571 20 0 BFADLO Cc1cccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC000336450332 179124593 /nfs/dbraw/zinc/12/45/93/179124593.db2.gz BXOLNIWSLXKLMM-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO Cc1cccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)c1 ZINC000336450332 179124596 /nfs/dbraw/zinc/12/45/96/179124596.db2.gz BXOLNIWSLXKLMM-UHFFFAOYSA-N 1 2 243.310 2.634 20 0 BFADLO CC(C)(C)c1nc(NC[C@H]2CCCOC2)cc[nH+]1 ZINC000301563323 187371241 /nfs/dbraw/zinc/37/12/41/187371241.db2.gz YMOXKODOZGZOTK-LLVKDONJSA-N 1 2 249.358 2.613 20 0 BFADLO CC(C)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301554435 187371598 /nfs/dbraw/zinc/37/15/98/187371598.db2.gz WGJXDDPKPDAEGF-UHFFFAOYSA-N 1 2 207.321 2.619 20 0 BFADLO Cc1occc1[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000189643565 347147458 /nfs/dbraw/zinc/14/74/58/347147458.db2.gz BBESMNLTYVYOKZ-QGZVFWFLSA-N 1 2 249.335 2.908 20 0 BFADLO CC[N@@H+](Cc1cccc(COC)c1)CC(F)F ZINC000185751368 347212424 /nfs/dbraw/zinc/21/24/24/347212424.db2.gz PFKXGFJQCRDPKP-UHFFFAOYSA-N 1 2 243.297 2.920 20 0 BFADLO CC[N@H+](Cc1cccc(COC)c1)CC(F)F ZINC000185751368 347212427 /nfs/dbraw/zinc/21/24/27/347212427.db2.gz PFKXGFJQCRDPKP-UHFFFAOYSA-N 1 2 243.297 2.920 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc(F)c1 ZINC000382204537 347230896 /nfs/dbraw/zinc/23/08/96/347230896.db2.gz FTXMLVUEKQWQSY-UHFFFAOYSA-N 1 2 203.207 2.571 20 0 BFADLO C[C@@H]1CCC[C@H](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616924327 347454786 /nfs/dbraw/zinc/45/47/86/347454786.db2.gz FDKXKINUIZLSDI-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]1CCC[C@H](CC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616924327 347454790 /nfs/dbraw/zinc/45/47/90/347454790.db2.gz FDKXKINUIZLSDI-NEPJUHHUSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1ccccc1-c1nc(C[N@@H+](C)C2CC2)no1 ZINC000122651962 179237603 /nfs/dbraw/zinc/23/76/03/179237603.db2.gz SLWYUMHHHVMFAO-UHFFFAOYSA-N 1 2 243.310 2.639 20 0 BFADLO Cc1ccccc1-c1nc(C[N@H+](C)C2CC2)no1 ZINC000122651962 179237608 /nfs/dbraw/zinc/23/76/08/179237608.db2.gz SLWYUMHHHVMFAO-UHFFFAOYSA-N 1 2 243.310 2.639 20 0 BFADLO CC(C)[N@H+](CCOCC1CCC1)CC(F)F ZINC000419226268 192107221 /nfs/dbraw/zinc/10/72/21/192107221.db2.gz DIFRQTPZMPLLGD-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)[N@@H+](CCOCC1CCC1)CC(F)F ZINC000419226268 192107223 /nfs/dbraw/zinc/10/72/23/192107223.db2.gz DIFRQTPZMPLLGD-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)[C@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357131392 187378572 /nfs/dbraw/zinc/37/85/72/187378572.db2.gz JWYKGMCOQMMTNC-NEPJUHHUSA-N 1 2 249.358 2.755 20 0 BFADLO Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000577236258 365895340 /nfs/dbraw/zinc/89/53/40/365895340.db2.gz OMRPQHGFKSDYLV-GFCCVEGCSA-N 1 2 243.310 2.781 20 0 BFADLO CC[C@@H](C)N(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000616981658 347563918 /nfs/dbraw/zinc/56/39/18/347563918.db2.gz FHBNCGMVQITKBK-LLVKDONJSA-N 1 2 245.326 2.595 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](c2ccccc2)C2CC2)o1 ZINC000192964615 365900154 /nfs/dbraw/zinc/90/01/54/365900154.db2.gz RVFZBVCQAOWNGU-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO Cc1ccccc1C[N@H+](C)Cc1cocn1 ZINC000278244407 179268924 /nfs/dbraw/zinc/26/89/24/179268924.db2.gz UKKMLLZZYVPBMP-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccccc1C[N@@H+](C)Cc1cocn1 ZINC000278244407 179268928 /nfs/dbraw/zinc/26/89/28/179268928.db2.gz UKKMLLZZYVPBMP-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000366663320 179275196 /nfs/dbraw/zinc/27/51/96/179275196.db2.gz NDLBQGBAIYIAEI-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccccc1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000366663320 179275198 /nfs/dbraw/zinc/27/51/98/179275198.db2.gz NDLBQGBAIYIAEI-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccccc1C[NH2+]C1(C(F)F)CC1 ZINC000336724566 179281645 /nfs/dbraw/zinc/28/16/45/179281645.db2.gz FZDPKBBZLDAWNQ-UHFFFAOYSA-N 1 2 211.255 2.882 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000577306580 365923826 /nfs/dbraw/zinc/92/38/26/365923826.db2.gz YNYHBANTJGXMIB-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000577306580 365923834 /nfs/dbraw/zinc/92/38/34/365923834.db2.gz YNYHBANTJGXMIB-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000577306579 365924175 /nfs/dbraw/zinc/92/41/75/365924175.db2.gz YNYHBANTJGXMIB-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000577306579 365924181 /nfs/dbraw/zinc/92/41/81/365924181.db2.gz YNYHBANTJGXMIB-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000265135217 179317171 /nfs/dbraw/zinc/31/71/71/179317171.db2.gz OJOSMCHPPWAZES-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@H](C)c1ccccc1C ZINC000265135217 179317173 /nfs/dbraw/zinc/31/71/73/179317173.db2.gz OJOSMCHPPWAZES-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO c1nc(C[NH2+]Cc2ccc3cccnc3c2)co1 ZINC000594060953 347996523 /nfs/dbraw/zinc/99/65/23/347996523.db2.gz DZPFXMMVHJXUIZ-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CN(C)c1ccc(NCc2ccccc2)c[nH+]1 ZINC000036988937 347999088 /nfs/dbraw/zinc/99/90/88/347999088.db2.gz ASAMWLKZQAYKGC-UHFFFAOYSA-N 1 2 227.311 2.760 20 0 BFADLO CSCc1cccc(-c2[nH+]ccn2C)c1 ZINC000594629375 348084979 /nfs/dbraw/zinc/08/49/79/348084979.db2.gz GXHACLVHNLKJEA-UHFFFAOYSA-N 1 2 218.325 2.950 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)CSCCF)c1 ZINC000595030163 348173739 /nfs/dbraw/zinc/17/37/39/348173739.db2.gz OIUSDQZVBMIVIG-JTQLQIEISA-N 1 2 228.336 2.893 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)CSCCF)c1 ZINC000595030164 348174081 /nfs/dbraw/zinc/17/40/81/348174081.db2.gz OIUSDQZVBMIVIG-SNVBAGLBSA-N 1 2 228.336 2.893 20 0 BFADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnsc1Cl ZINC000307389242 323179806 /nfs/dbraw/zinc/17/98/06/323179806.db2.gz QBBXNWAJEGZKRX-IONNQARKSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnsc1Cl ZINC000307389242 323179807 /nfs/dbraw/zinc/17/98/07/323179807.db2.gz QBBXNWAJEGZKRX-IONNQARKSA-N 1 2 245.779 2.812 20 0 BFADLO CO[C@H](CC(C)C)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000419286811 192118040 /nfs/dbraw/zinc/11/80/40/192118040.db2.gz VTDKXQQPJNZVTJ-GHMZBOCLSA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@H](CC(C)C)C[N@H+]1CCC[C@@H]1C(F)F ZINC000419286811 192118041 /nfs/dbraw/zinc/11/80/41/192118041.db2.gz VTDKXQQPJNZVTJ-GHMZBOCLSA-N 1 2 235.318 2.777 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000333391123 179419472 /nfs/dbraw/zinc/41/94/72/179419472.db2.gz MBGWIQKANSQTGT-ZSBIGDGJSA-N 1 2 245.326 2.618 20 0 BFADLO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C(C)C ZINC000419334783 192125239 /nfs/dbraw/zinc/12/52/39/192125239.db2.gz UCOWSAOZUBVXKQ-YNEHKIRRSA-N 1 2 241.375 2.598 20 0 BFADLO Cc1cc[nH+]c(NC[C@](C)(O)C(C)C)c1Cl ZINC000336683464 179451175 /nfs/dbraw/zinc/45/11/75/179451175.db2.gz SFPRMBNKKXNVHU-LBPRGKRZSA-N 1 2 242.750 2.862 20 0 BFADLO Cc1c[nH+]cc(NC[C@@H]2CCSC2)c1 ZINC000226385692 179681306 /nfs/dbraw/zinc/68/13/06/179681306.db2.gz YTHRJLJXANIXJB-JTQLQIEISA-N 1 2 208.330 2.555 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000185345200 179709480 /nfs/dbraw/zinc/70/94/80/179709480.db2.gz OVDSDKZWAPMSPC-GHMZBOCLSA-N 1 2 218.300 2.621 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccccc1C ZINC000107292126 179711668 /nfs/dbraw/zinc/71/16/68/179711668.db2.gz XFYNKISDIJYIEC-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO c1coc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000605912487 348988242 /nfs/dbraw/zinc/98/82/42/348988242.db2.gz QHVHKFIFERBRMQ-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000250888687 349181013 /nfs/dbraw/zinc/18/10/13/349181013.db2.gz KPBWHBVLCMEMOQ-PEGIJTEDSA-N 1 2 220.316 2.758 20 0 BFADLO Cc1csc(SCc2cc[nH+]c(N)c2)n1 ZINC000052756177 179792026 /nfs/dbraw/zinc/79/20/26/179792026.db2.gz QYVYFHXNXHVWBZ-UHFFFAOYSA-N 1 2 237.353 2.721 20 0 BFADLO CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000599658042 349235133 /nfs/dbraw/zinc/23/51/33/349235133.db2.gz COONPHKVLFZKEW-LLVKDONJSA-N 1 2 239.359 2.805 20 0 BFADLO Cc1cc(NCCCCc2ccccc2)nc[nH+]1 ZINC000599447949 349196138 /nfs/dbraw/zinc/19/61/38/349196138.db2.gz OHRLCLBMAJTSIC-UHFFFAOYSA-N 1 2 241.338 2.642 20 0 BFADLO CC(C)(C)[C@H]1C[C@@H](Nc2c[nH]c[nH+]2)CS1 ZINC000309006555 349285394 /nfs/dbraw/zinc/28/53/94/349285394.db2.gz PYZLMYSIZNTUQO-RKDXNWHRSA-N 1 2 225.361 2.742 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000049368249 187435443 /nfs/dbraw/zinc/43/54/43/187435443.db2.gz ADNFEACWYAXLMU-QWHCGFSZSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccon2)sc1C ZINC000309788036 179973087 /nfs/dbraw/zinc/97/30/87/179973087.db2.gz ONNHXQUXNLXNLN-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2cncs2)n1 ZINC000126223489 191007304 /nfs/dbraw/zinc/00/73/04/191007304.db2.gz KQHNEWDKLRPVBW-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@H](F)CCNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631282004 350057846 /nfs/dbraw/zinc/05/78/46/350057846.db2.gz SNUPOTAEMKIPEN-QMMMGPOBSA-N 1 2 248.305 2.947 20 0 BFADLO C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)C(C)(C)C ZINC000604331598 350103993 /nfs/dbraw/zinc/10/39/93/350103993.db2.gz YOPQHLKMXUFWSF-JTQLQIEISA-N 1 2 245.326 2.955 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC[C@H](C)C2)[nH+]1 ZINC000355785829 180002803 /nfs/dbraw/zinc/00/28/03/180002803.db2.gz LXHCGYXMBWXKBP-JTQLQIEISA-N 1 2 244.342 2.893 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@H](F)C2)[nH+]1 ZINC000336514132 180024330 /nfs/dbraw/zinc/02/43/30/180024330.db2.gz INWXCOINYUXOON-DTWKUNHWSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc([C@@H](C)[N@H+](C)Cc2ccccc2C)no1 ZINC000289759700 180032800 /nfs/dbraw/zinc/03/28/00/180032800.db2.gz JNXPAOPMJIRAGT-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+](C)Cc2ccccc2C)no1 ZINC000289759700 180032803 /nfs/dbraw/zinc/03/28/03/180032803.db2.gz JNXPAOPMJIRAGT-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)[nH]1 ZINC000336280780 180036138 /nfs/dbraw/zinc/03/61/38/180036138.db2.gz BWGMMWAQJAXMPF-MFKMUULPSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)[nH]1 ZINC000336280780 180036139 /nfs/dbraw/zinc/03/61/39/180036139.db2.gz BWGMMWAQJAXMPF-MFKMUULPSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccs2)no1 ZINC000289469201 180038156 /nfs/dbraw/zinc/03/81/56/180038156.db2.gz HDIRNBGNZSHJQY-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC3(CCC3)CC2)no1 ZINC000368055001 180047228 /nfs/dbraw/zinc/04/72/28/180047228.db2.gz GLAIUJLXLGLMBQ-JTQLQIEISA-N 1 2 235.331 2.705 20 0 BFADLO Cc1nc([C@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000122953175 180051065 /nfs/dbraw/zinc/05/10/65/180051065.db2.gz GAFMMBQBTQRXLD-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cnccn2)cs1 ZINC000330945417 180051886 /nfs/dbraw/zinc/05/18/86/180051886.db2.gz JXAHFMCHBHOTEH-BDAKNGLRSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CCC[C@H]2C)[nH+]1 ZINC000359931362 180059444 /nfs/dbraw/zinc/05/94/44/180059444.db2.gz JXRJSGZASZSQMV-KOLCDFICSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H](C)CCC2CC2)[nH+]1 ZINC000346242601 180060495 /nfs/dbraw/zinc/06/04/95/180060495.db2.gz SHGWCOMHSSQXQA-VIFPVBQESA-N 1 2 244.342 2.679 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302092171 180067426 /nfs/dbraw/zinc/06/74/26/180067426.db2.gz MOIVIQZCDXHLSJ-MNOVXSKESA-N 1 2 245.370 2.899 20 0 BFADLO Cc1[nH]c2ccc(CSc3ncc[nH]3)cc2[nH+]1 ZINC000358857651 180090734 /nfs/dbraw/zinc/09/07/34/180090734.db2.gz DSUSVJWLKNUUNK-UHFFFAOYSA-N 1 2 244.323 2.887 20 0 BFADLO Cc1[nH]c2cc(CSc3ncc[nH]3)ccc2[nH+]1 ZINC000358857651 180090740 /nfs/dbraw/zinc/09/07/40/180090740.db2.gz DSUSVJWLKNUUNK-UHFFFAOYSA-N 1 2 244.323 2.887 20 0 BFADLO Cc1nc(N2CC[C@H](C)C2)c2c([nH+]1)CCCC2 ZINC000272714133 180068432 /nfs/dbraw/zinc/06/84/32/180068432.db2.gz AAGOYVCNSXVULX-JTQLQIEISA-N 1 2 231.343 2.510 20 0 BFADLO Cc1nc(N(C)CC2CC2)c2c([nH+]1)CCCC2 ZINC000301542769 180068788 /nfs/dbraw/zinc/06/87/88/180068788.db2.gz CXTHREMZKXTOOZ-UHFFFAOYSA-N 1 2 231.343 2.510 20 0 BFADLO CCS[C@H](C)c1noc(C[N@H+](C)C(C)C)n1 ZINC000138029225 191042726 /nfs/dbraw/zinc/04/27/26/191042726.db2.gz BRXOTSQAZFSLQY-SECBINFHSA-N 1 2 243.376 2.724 20 0 BFADLO CCS[C@H](C)c1noc(C[N@@H+](C)C(C)C)n1 ZINC000138029225 191042729 /nfs/dbraw/zinc/04/27/29/191042729.db2.gz BRXOTSQAZFSLQY-SECBINFHSA-N 1 2 243.376 2.724 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCC[C@H]2C)c[nH+]1 ZINC000339223146 180130178 /nfs/dbraw/zinc/13/01/78/180130178.db2.gz IYNAYOMUMCKQBE-PWSUYJOCSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H](C(C)C)C2)c[nH+]1 ZINC000339224286 180133411 /nfs/dbraw/zinc/13/34/11/180133411.db2.gz RIKIOSUUWXNJQE-NWDGAFQWSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccoc2)s1 ZINC000336644229 180140884 /nfs/dbraw/zinc/14/08/84/180140884.db2.gz FTVUINDSHPWWBU-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccoc2)s1 ZINC000336644229 180140887 /nfs/dbraw/zinc/14/08/87/180140887.db2.gz FTVUINDSHPWWBU-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCC(C)CC1 ZINC000359476580 180120246 /nfs/dbraw/zinc/12/02/46/180120246.db2.gz CFGSBURSPJOFRQ-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000331081010 180120426 /nfs/dbraw/zinc/12/04/26/180120426.db2.gz AHVWPHUNSWOGJY-PWSUYJOCSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC=C(F)C2)s1 ZINC000272401588 180143063 /nfs/dbraw/zinc/14/30/63/180143063.db2.gz DTIQOFNLXXQFIX-UHFFFAOYSA-N 1 2 212.293 2.511 20 0 BFADLO Cc1ncc(C[N@H+]2CCC=C(F)C2)s1 ZINC000272401588 180143075 /nfs/dbraw/zinc/14/30/75/180143075.db2.gz DTIQOFNLXXQFIX-UHFFFAOYSA-N 1 2 212.293 2.511 20 0 BFADLO Cc1ncc(CNc2ccc[nH+]c2C)s1 ZINC000085712270 180159968 /nfs/dbraw/zinc/15/99/68/180159968.db2.gz IOQYIRXDRWIPDR-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1ncc(CNc2ccc(N(C)C)[nH+]c2)s1 ZINC000037797311 180160494 /nfs/dbraw/zinc/16/04/94/180160494.db2.gz ZIEBPCXIBKBIQR-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000124507312 490368574 /nfs/dbraw/zinc/36/85/74/490368574.db2.gz RFORFZGPJCATHI-SNVBAGLBSA-N 1 2 215.300 2.569 20 0 BFADLO Cc1nc(NC[C@H]2Cc3ccccc32)cc[nH+]1 ZINC000054935892 180201408 /nfs/dbraw/zinc/20/14/08/180201408.db2.gz WCQDXPOFCXKONF-GFCCVEGCSA-N 1 2 225.295 2.537 20 0 BFADLO Cc1nc(N[C@@H]2CCCO[C@H]2CC(C)C)cc[nH+]1 ZINC000186380841 180202073 /nfs/dbraw/zinc/20/20/73/180202073.db2.gz JZNHGJIZWIQJPB-OLZOCXBDSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(N[C@@H]2CCc3ccccc3C2)cc[nH+]1 ZINC000054936498 180205045 /nfs/dbraw/zinc/20/50/45/180205045.db2.gz YNWCMAJKOLSAPW-CQSZACIVSA-N 1 2 239.322 2.754 20 0 BFADLO Cc1nc(N[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000054935794 180205632 /nfs/dbraw/zinc/20/56/32/180205632.db2.gz HOWUGPNFNGZOHV-ONGXEEELSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@H]2CCCC23CCOCC3)cc[nH+]1 ZINC000283551648 180205639 /nfs/dbraw/zinc/20/56/39/180205639.db2.gz PDRISBCDONYRJR-LBPRGKRZSA-N 1 2 247.342 2.546 20 0 BFADLO Cc1nc(N[C@H]2CC23CCCC3)cc[nH+]1 ZINC000336734944 180205981 /nfs/dbraw/zinc/20/59/81/180205981.db2.gz NUNPLZLUNRQGDN-JTQLQIEISA-N 1 2 203.289 2.530 20 0 BFADLO Cc1nc(N[C@H]2CCc3c2cccc3O)cc[nH+]1 ZINC000267051749 180207234 /nfs/dbraw/zinc/20/72/34/180207234.db2.gz FLCRAWAUPSNWIT-LBPRGKRZSA-N 1 2 241.294 2.590 20 0 BFADLO Cc1nc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)cc[nH+]1 ZINC000274193172 180207568 /nfs/dbraw/zinc/20/75/68/180207568.db2.gz FLKAQCNHUQRCLY-NWDGAFQWSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1nc(NCCC2=CCCCCC2)cc[nH+]1 ZINC000361744861 180180023 /nfs/dbraw/zinc/18/00/23/180180023.db2.gz OEOPJIBQIWAEFD-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1nc(NCC(C)(C)CC(C)C)cc[nH+]1 ZINC000336662530 180180682 /nfs/dbraw/zinc/18/06/82/180180682.db2.gz KMCASHJWSWBCJC-UHFFFAOYSA-N 1 2 221.348 2.691 20 0 BFADLO Cc1nc(NCc2ccc3ccccc3c2)cc[nH+]1 ZINC000360547619 180181066 /nfs/dbraw/zinc/18/10/66/180181066.db2.gz RHNBALIFNGYIEW-UHFFFAOYSA-N 1 2 249.317 2.972 20 0 BFADLO Cc1ccc(CC[C@H](C)Nc2cc[nH+]c(C)n2)o1 ZINC000361289118 180181341 /nfs/dbraw/zinc/18/13/41/180181341.db2.gz ODWFRWSSARQUOQ-JTQLQIEISA-N 1 2 245.326 2.542 20 0 BFADLO Cc1[nH+]cccc1NCc1cnn(C(C)(C)C)c1 ZINC000091495769 180226332 /nfs/dbraw/zinc/22/63/32/180226332.db2.gz GYNSGPNUSPFPDG-UHFFFAOYSA-N 1 2 244.342 2.954 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ncc[nH]1 ZINC000124684237 490397220 /nfs/dbraw/zinc/39/72/20/490397220.db2.gz KTDAQSVOKZSWNG-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO CC[C@@H]([NH2+]Cc1nc(C)no1)c1ccc(C)cc1 ZINC000037980802 350294505 /nfs/dbraw/zinc/29/45/05/350294505.db2.gz JTEMLULVPUORGX-CYBMUJFWSA-N 1 2 245.326 2.927 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C[C@@H]1F ZINC000621275047 350355826 /nfs/dbraw/zinc/35/58/26/350355826.db2.gz IBAMTENHOUGKBR-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1F ZINC000621275047 350355828 /nfs/dbraw/zinc/35/58/28/350355828.db2.gz IBAMTENHOUGKBR-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ncsc1CC[N@H+](CC(F)F)C(C)C ZINC000178558980 180307079 /nfs/dbraw/zinc/30/70/79/180307079.db2.gz IQJGXJRWCQJPFA-UHFFFAOYSA-N 1 2 248.342 2.970 20 0 BFADLO Cc1ncsc1CC[N@@H+](CC(F)F)C(C)C ZINC000178558980 180307082 /nfs/dbraw/zinc/30/70/82/180307082.db2.gz IQJGXJRWCQJPFA-UHFFFAOYSA-N 1 2 248.342 2.970 20 0 BFADLO CCc1nc(CNc2cc(CC)[nH+]cn2)cs1 ZINC000328099961 350373387 /nfs/dbraw/zinc/37/33/87/350373387.db2.gz HBCXELUNYRUEIL-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO c1coc(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000131151953 191098810 /nfs/dbraw/zinc/09/88/10/191098810.db2.gz PRTXMTTWXPWTRK-UHFFFAOYSA-N 1 2 234.324 2.903 20 0 BFADLO CCc1cc(NC[C@@H]2Cc3ccccc32)nc[nH+]1 ZINC000040765139 350395005 /nfs/dbraw/zinc/39/50/05/350395005.db2.gz SKVDNGUQXHZZSU-LBPRGKRZSA-N 1 2 239.322 2.791 20 0 BFADLO Cc1[nH]c(CN2CC(C3CCCC3)C2)[nH+]c1C ZINC000628306960 350438678 /nfs/dbraw/zinc/43/86/78/350438678.db2.gz GHBHXBVPQKLOGA-UHFFFAOYSA-N 1 2 233.359 2.649 20 0 BFADLO COc1ccc(NCc2cccc(OC)c2)[nH+]c1 ZINC000226949441 350467476 /nfs/dbraw/zinc/46/74/76/350467476.db2.gz RIIZPUKEOIZIIV-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO Cc1cc(N[C@H]2CC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000443996223 191110941 /nfs/dbraw/zinc/11/09/41/191110941.db2.gz JEPQRHJTPXTKIE-SKDRFNHKSA-N 1 2 231.343 2.685 20 0 BFADLO CCCC[N@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000051266731 350619575 /nfs/dbraw/zinc/61/95/75/350619575.db2.gz VPHFOPZWHPCMOZ-UHFFFAOYSA-N 1 2 239.363 2.989 20 0 BFADLO CCCC[N@@H+](CC)Cc1noc(C(C)(C)C)n1 ZINC000051266731 350619576 /nfs/dbraw/zinc/61/95/76/350619576.db2.gz VPHFOPZWHPCMOZ-UHFFFAOYSA-N 1 2 239.363 2.989 20 0 BFADLO Cc1cc(NC[C@@H](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000606895302 350620736 /nfs/dbraw/zinc/62/07/36/350620736.db2.gz VGOGLGNJCNYWFU-SNVBAGLBSA-N 1 2 233.359 2.788 20 0 BFADLO Cc1cscc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000306963567 490650106 /nfs/dbraw/zinc/65/01/06/490650106.db2.gz HVWNMDMNFNHCHU-MRVPVSSYSA-N 1 2 207.302 2.953 20 0 BFADLO Nc1c(F)cccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000397970656 362975129 /nfs/dbraw/zinc/97/51/29/362975129.db2.gz AXQLPNYKXRKHLP-SNVBAGLBSA-N 1 2 244.260 2.685 20 0 BFADLO CCN(c1cc[nH+]c(C(C)C)n1)C(C)C ZINC000112965039 350750558 /nfs/dbraw/zinc/75/05/58/350750558.db2.gz AVTLEEZUNIOTOW-UHFFFAOYSA-N 1 2 207.321 2.835 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051686088 350761061 /nfs/dbraw/zinc/76/10/61/350761061.db2.gz JKLQFZDWEZINRH-JTQLQIEISA-N 1 2 239.363 2.988 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051686088 350761064 /nfs/dbraw/zinc/76/10/64/350761064.db2.gz JKLQFZDWEZINRH-JTQLQIEISA-N 1 2 239.363 2.988 20 0 BFADLO CCc1nc(CNc2cccc[nH+]2)cs1 ZINC000098170905 350729568 /nfs/dbraw/zinc/72/95/68/350729568.db2.gz VSRLCHASFZYMCQ-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO CCCC[C@H](CC)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000339183464 350738150 /nfs/dbraw/zinc/73/81/50/350738150.db2.gz MPIIPTLZWSGGDI-NSHDSACASA-N 1 2 237.347 2.664 20 0 BFADLO Cc1cnc(NCCc2ccc(C)[nH+]c2)s1 ZINC000302877610 191120823 /nfs/dbraw/zinc/12/08/23/191120823.db2.gz GQNBQFDBOTZPKT-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO CCC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000052279779 350942895 /nfs/dbraw/zinc/94/28/95/350942895.db2.gz DFLBIXCJWAPFCK-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CCc1cc[nH+]cc1NCc1cnc(C)o1 ZINC000628325218 351251063 /nfs/dbraw/zinc/25/10/63/351251063.db2.gz CIPPTDSABJJQCP-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO Cc1c[nH]c(CN2Cc3cc(F)c(F)cc3C2)[nH+]1 ZINC000628327722 351265147 /nfs/dbraw/zinc/26/51/47/351265147.db2.gz NEBNTVCDEAKJJO-UHFFFAOYSA-N 1 2 249.264 2.512 20 0 BFADLO Cc1c[nH]c(C[NH+]2CCC(c3ccco3)CC2)n1 ZINC000628337309 351280315 /nfs/dbraw/zinc/28/03/15/351280315.db2.gz BVVDULIALNQOHX-UHFFFAOYSA-N 1 2 245.326 2.691 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1cscn1 ZINC000628338033 351280730 /nfs/dbraw/zinc/28/07/30/351280730.db2.gz XSZGCAMOYNALRV-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO BrC1=CCC[N@H+](Cc2ccoc2)C1 ZINC000306889933 351299930 /nfs/dbraw/zinc/29/99/30/351299930.db2.gz YEYKIOOBFFUKDC-UHFFFAOYSA-N 1 2 242.116 2.764 20 0 BFADLO BrC1=CCC[N@@H+](Cc2ccoc2)C1 ZINC000306889933 351299932 /nfs/dbraw/zinc/29/99/32/351299932.db2.gz YEYKIOOBFFUKDC-UHFFFAOYSA-N 1 2 242.116 2.764 20 0 BFADLO Cc1ccccc1-c1cnc(Cn2cc[nH+]c2)o1 ZINC000072558626 351273515 /nfs/dbraw/zinc/27/35/15/351273515.db2.gz QFRPQHGYQGNMEC-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO CCCCc1cc(N[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000631248292 351368412 /nfs/dbraw/zinc/36/84/12/351368412.db2.gz XQOPECLJJZXMTJ-WCQYABFASA-N 1 2 249.358 2.656 20 0 BFADLO CC1(C)C[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000270419511 351379671 /nfs/dbraw/zinc/37/96/71/351379671.db2.gz ZMGAEJTVJGMRMG-UHFFFAOYSA-N 1 2 241.338 2.703 20 0 BFADLO CC1(C)C[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000270419511 351379676 /nfs/dbraw/zinc/37/96/76/351379676.db2.gz ZMGAEJTVJGMRMG-UHFFFAOYSA-N 1 2 241.338 2.703 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631176818 351338467 /nfs/dbraw/zinc/33/84/67/351338467.db2.gz HSGKLXCJNGIKJP-UHFFFAOYSA-N 1 2 244.285 2.558 20 0 BFADLO CCCCc1cc(N[C@H](COC)C2CC2)nc[nH+]1 ZINC000631177733 351360267 /nfs/dbraw/zinc/36/02/67/351360267.db2.gz OBERPUCZFYYCAU-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(C[NH2+][C@@H](CC)c2ccccc2)no1 ZINC000271724589 351430824 /nfs/dbraw/zinc/43/08/24/351430824.db2.gz XKHJAYWJTUMMQG-LBPRGKRZSA-N 1 2 245.326 2.873 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000153062090 363030630 /nfs/dbraw/zinc/03/06/30/363030630.db2.gz XAUXGWUPDHGDDK-MNOVXSKESA-N 1 2 248.326 2.855 20 0 BFADLO Fc1cc(Cl)ccc1C[N@@H+]1CCCOCC1 ZINC000335776227 538100261 /nfs/dbraw/zinc/10/02/61/538100261.db2.gz QOKDTESAAFIUSP-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1cc(Cl)ccc1C[N@H+]1CCCOCC1 ZINC000335776227 538100264 /nfs/dbraw/zinc/10/02/64/538100264.db2.gz QOKDTESAAFIUSP-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1c(C)cccc1C)C(=O)OC ZINC000577685817 366034832 /nfs/dbraw/zinc/03/48/32/366034832.db2.gz ISKHMBHVNLXBSB-QWHCGFSZSA-N 1 2 249.354 2.906 20 0 BFADLO C[N@H+](Cc1ccns1)Cc1cccc(F)c1 ZINC000637847071 351705147 /nfs/dbraw/zinc/70/51/47/351705147.db2.gz GDRCWCXLLSHEMB-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccns1)Cc1cccc(F)c1 ZINC000637847071 351705150 /nfs/dbraw/zinc/70/51/50/351705150.db2.gz GDRCWCXLLSHEMB-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1ccns1 ZINC000637993053 351870695 /nfs/dbraw/zinc/87/06/95/351870695.db2.gz ISZOTPPTZUPMEZ-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1ccns1 ZINC000637993053 351870697 /nfs/dbraw/zinc/87/06/97/351870697.db2.gz ISZOTPPTZUPMEZ-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO Cc1scc(C[N@@H+]2CCc3c[nH]nc3C2)c1C ZINC000638106500 351984560 /nfs/dbraw/zinc/98/45/60/351984560.db2.gz BEOOEYMNZKGITB-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1scc(C[N@H+]2CCc3c[nH]nc3C2)c1C ZINC000638106500 351984563 /nfs/dbraw/zinc/98/45/63/351984563.db2.gz BEOOEYMNZKGITB-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1scc(C[N@@H+]2CCc3cn[nH]c3C2)c1C ZINC000638106500 351984566 /nfs/dbraw/zinc/98/45/66/351984566.db2.gz BEOOEYMNZKGITB-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1scc(C[N@H+]2CCc3cn[nH]c3C2)c1C ZINC000638106500 351984570 /nfs/dbraw/zinc/98/45/70/351984570.db2.gz BEOOEYMNZKGITB-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO CC(C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000163647960 535170895 /nfs/dbraw/zinc/17/08/95/535170895.db2.gz WNNIZSKASMNKHP-UHFFFAOYSA-N 1 2 219.332 2.750 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCOC1CCC1 ZINC000288745530 352163712 /nfs/dbraw/zinc/16/37/12/352163712.db2.gz XQPQDTOPXDJCDD-UHFFFAOYSA-N 1 2 235.327 2.900 20 0 BFADLO C[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556940 191194295 /nfs/dbraw/zinc/19/42/95/191194295.db2.gz JQMRXJXABHZVJM-SWHYSGLUSA-N 1 2 247.313 2.593 20 0 BFADLO C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556940 191194298 /nfs/dbraw/zinc/19/42/98/191194298.db2.gz JQMRXJXABHZVJM-SWHYSGLUSA-N 1 2 247.313 2.593 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccccc2C)n1 ZINC000073637255 352552489 /nfs/dbraw/zinc/55/24/89/352552489.db2.gz VZGUGAKRMQSKAE-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)n1 ZINC000073637187 352552504 /nfs/dbraw/zinc/55/25/04/352552504.db2.gz SHCFWODCSDKKPY-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000040727099 352604068 /nfs/dbraw/zinc/60/40/68/352604068.db2.gz GQOHPIDXHUQRGV-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@H](C)c1nnc(C)o1 ZINC000412023642 191238456 /nfs/dbraw/zinc/23/84/56/191238456.db2.gz CXGXEZCMHNIQBP-SNVBAGLBSA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@H](C)c1nnc(C)o1 ZINC000412023642 191238458 /nfs/dbraw/zinc/23/84/58/191238458.db2.gz CXGXEZCMHNIQBP-SNVBAGLBSA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@@H](C)c1nnc(C)o1 ZINC000412023640 191238896 /nfs/dbraw/zinc/23/88/96/191238896.db2.gz CXGXEZCMHNIQBP-JTQLQIEISA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@@H](C)c1nnc(C)o1 ZINC000412023640 191238899 /nfs/dbraw/zinc/23/88/99/191238899.db2.gz CXGXEZCMHNIQBP-JTQLQIEISA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@H+](Cc1occc1C)Cc1nccc(C)n1 ZINC000412025292 191240533 /nfs/dbraw/zinc/24/05/33/191240533.db2.gz IAOVWWBECLSLMO-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1occc1C)Cc1nccc(C)n1 ZINC000412025292 191240536 /nfs/dbraw/zinc/24/05/36/191240536.db2.gz IAOVWWBECLSLMO-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO COc1ccc(NCc2cc(C3CC3)no2)[nH+]c1 ZINC000638774164 352716331 /nfs/dbraw/zinc/71/63/31/352716331.db2.gz FSRPCQDBOZCREQ-UHFFFAOYSA-N 1 2 245.282 2.568 20 0 BFADLO C[C@H]1C[C@@H]1N(Cc1[nH+]ccn1C)c1ccccc1 ZINC000411925728 191232004 /nfs/dbraw/zinc/23/20/04/191232004.db2.gz NXCCFNXQFGSZKY-JSGCOSHPSA-N 1 2 241.338 2.835 20 0 BFADLO Cc1nc(NCc2ccc([C@@H]3C[C@H]3C)o2)cc[nH+]1 ZINC000608080186 352726004 /nfs/dbraw/zinc/72/60/04/352726004.db2.gz LTELWOVVURMZPO-BXKDBHETSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1nc(NCc2ccc([C@@H]3C[C@@H]3C)o2)cc[nH+]1 ZINC000608080188 352726008 /nfs/dbraw/zinc/72/60/08/352726008.db2.gz LTELWOVVURMZPO-JOYOIKCWSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@@H]1CC1(F)F ZINC000638785600 352739753 /nfs/dbraw/zinc/73/97/53/352739753.db2.gz DQWFNPRWJQJVBR-APPZFPTMSA-N 1 2 212.243 2.846 20 0 BFADLO Cc1c[nH+]cc(NCc2cc(C3CC3)no2)c1 ZINC000638787509 352743427 /nfs/dbraw/zinc/74/34/27/352743427.db2.gz IBCVBESWPANHKH-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO CCc1nc(N2C[C@H](C)CC2(C)C)cc(C)[nH+]1 ZINC000342826741 352825964 /nfs/dbraw/zinc/82/59/64/352825964.db2.gz VGRWPKMECQWVNS-SNVBAGLBSA-N 1 2 233.359 2.972 20 0 BFADLO CC(C)[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000366788953 352826706 /nfs/dbraw/zinc/82/67/06/352826706.db2.gz INBPSRACBIDNLM-DGCLKSJQSA-N 1 2 244.342 2.528 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000334240916 352828518 /nfs/dbraw/zinc/82/85/18/352828518.db2.gz MQIMRRIMULXJHX-GHMZBOCLSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H]3CCC[C@H]32)no1 ZINC000334240916 352828521 /nfs/dbraw/zinc/82/85/21/352828521.db2.gz MQIMRRIMULXJHX-GHMZBOCLSA-N 1 2 249.358 2.742 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334246830 352837978 /nfs/dbraw/zinc/83/79/78/352837978.db2.gz IYRAOXLKHFGUNF-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334246830 352837981 /nfs/dbraw/zinc/83/79/81/352837981.db2.gz IYRAOXLKHFGUNF-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334246830 352837985 /nfs/dbraw/zinc/83/79/85/352837985.db2.gz IYRAOXLKHFGUNF-ZDUSSCGKSA-N 1 2 245.301 2.886 20 0 BFADLO CC(C)([NH2+]CC(F)F)c1cccs1 ZINC000379392322 538105998 /nfs/dbraw/zinc/10/59/98/538105998.db2.gz RPWBUACZMLNJFZ-UHFFFAOYSA-N 1 2 205.273 2.838 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccs1 ZINC000306187308 352990458 /nfs/dbraw/zinc/99/04/58/352990458.db2.gz BVBZDMYJQWEWRM-UHFFFAOYSA-N 1 2 208.261 2.894 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SCC1CCCC1 ZINC000298588631 180825164 /nfs/dbraw/zinc/82/51/64/180825164.db2.gz HREPSSWWOYZSAA-UHFFFAOYSA-N 1 2 248.355 2.646 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638825056 353005828 /nfs/dbraw/zinc/00/58/28/353005828.db2.gz YHIYDYQZUUGQQY-JGPRNRPPSA-N 1 2 218.300 2.548 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)o1 ZINC000231787906 538107526 /nfs/dbraw/zinc/10/75/26/538107526.db2.gz CODWPKBQSVQCRD-JOYOIKCWSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1nc(N2CC[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC000608093987 353123505 /nfs/dbraw/zinc/12/35/05/353123505.db2.gz PSLJSGIZQNHWDU-ZDUSSCGKSA-N 1 2 243.285 2.876 20 0 BFADLO Cn1nccc1CNc1ccc2ccccc2[nH+]1 ZINC000071334483 180846007 /nfs/dbraw/zinc/84/60/07/180846007.db2.gz MNUJLPSLUXTQKA-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CC(C)c1nc(N(C)CC[C@H]2CCCO2)cc[nH+]1 ZINC000302698314 188059549 /nfs/dbraw/zinc/05/95/49/188059549.db2.gz HNAXYAKXPUSTAR-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2cc(C)ccc2C)n1 ZINC000357965880 188067213 /nfs/dbraw/zinc/06/72/13/188067213.db2.gz SAJXLRKXUXEVAS-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2cc(C)ccc2C)n1 ZINC000357965880 188067215 /nfs/dbraw/zinc/06/72/15/188067215.db2.gz SAJXLRKXUXEVAS-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC(C)(C)/C=C/C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371443688 188074868 /nfs/dbraw/zinc/07/48/68/188074868.db2.gz SIDNRLYDAYWOEQ-XUIVZRPNSA-N 1 2 247.342 2.676 20 0 BFADLO CCN(CC1CC1)C(=O)Nc1cc[nH+]cc1C ZINC000121541315 188076322 /nfs/dbraw/zinc/07/63/22/188076322.db2.gz QRHPRZVCYTVAAQ-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO c1coc([C@@H]2COCC[N@H+]2[C@H]2C=CCCC2)c1 ZINC000375791209 188077601 /nfs/dbraw/zinc/07/76/01/188077601.db2.gz LOEZUYFGDMGBOL-STQMWFEESA-N 1 2 233.311 2.762 20 0 BFADLO c1coc([C@@H]2COCC[N@@H+]2[C@H]2C=CCCC2)c1 ZINC000375791209 188077602 /nfs/dbraw/zinc/07/76/02/188077602.db2.gz LOEZUYFGDMGBOL-STQMWFEESA-N 1 2 233.311 2.762 20 0 BFADLO CC(C)Cc1ncc(C[NH2+]CC(F)F)s1 ZINC000291473035 188097226 /nfs/dbraw/zinc/09/72/26/188097226.db2.gz PJWKBFJNPKQNCK-UHFFFAOYSA-N 1 2 234.315 2.696 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1cc(F)ccc1F ZINC000093326694 538109856 /nfs/dbraw/zinc/10/98/56/538109856.db2.gz OPSSDBZUHILPGH-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1cnc(CNc2c[nH+]c3c(c2)CCCC3)o1 ZINC000638973728 353181384 /nfs/dbraw/zinc/18/13/84/353181384.db2.gz MKWOOSNRTSJIEA-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000106478702 188152042 /nfs/dbraw/zinc/15/20/42/188152042.db2.gz QJAWZTAYHDVHOP-CQSZACIVSA-N 1 2 245.301 2.634 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000111410654 188152601 /nfs/dbraw/zinc/15/26/01/188152601.db2.gz LDPDDVVCGGFSDI-BONVTDFDSA-N 1 2 241.338 2.741 20 0 BFADLO CSc1ccc(NC[C@H]2C[C@@H]2C)[nH+]c1 ZINC000306436003 188155201 /nfs/dbraw/zinc/15/52/01/188155201.db2.gz GBLRQRFTWIRZRV-DTWKUNHWSA-N 1 2 208.330 2.871 20 0 BFADLO Cc1nc(N2CCC[C@H]2c2ccncc2)cc[nH+]1 ZINC000157711415 188158668 /nfs/dbraw/zinc/15/86/68/188158668.db2.gz BXBPSQYGFDIGSR-ZDUSSCGKSA-N 1 2 240.310 2.522 20 0 BFADLO CC(=O)[C@@H](C)SCc1cn2ccccc2[nH+]1 ZINC000175195015 188164195 /nfs/dbraw/zinc/16/41/95/188164195.db2.gz LVENJUFDESPEFC-SNVBAGLBSA-N 1 2 234.324 2.545 20 0 BFADLO CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(F)(F)F ZINC000309569210 188168642 /nfs/dbraw/zinc/16/86/42/188168642.db2.gz NDRMMXJSUGLVDR-UTLUCORTSA-N 1 2 239.281 2.588 20 0 BFADLO Cc1ccnc(C[N@@H+](C)[C@H](C)c2ccco2)n1 ZINC000336686133 188182647 /nfs/dbraw/zinc/18/26/47/188182647.db2.gz FWTCRSQANPREOW-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccnc(C[N@H+](C)[C@H](C)c2ccco2)n1 ZINC000336686133 188182648 /nfs/dbraw/zinc/18/26/48/188182648.db2.gz FWTCRSQANPREOW-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H](C)C1CCC1)c1[nH]cc[nH+]1 ZINC000412281738 191272827 /nfs/dbraw/zinc/27/28/27/191272827.db2.gz OJGZLUWMPIIHRP-PWSUYJOCSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000295474525 188214292 /nfs/dbraw/zinc/21/42/92/188214292.db2.gz AJTLNTUILDGRRP-JTQLQIEISA-N 1 2 235.331 2.583 20 0 BFADLO COc1ccc(N[C@@H](C)C2CCC2)[nH+]c1 ZINC000225834052 538114137 /nfs/dbraw/zinc/11/41/37/538114137.db2.gz REVZSLUIAGKFDT-VIFPVBQESA-N 1 2 206.289 2.691 20 0 BFADLO COc1ccc(N[C@H](C)C2CCC2)[nH+]c1 ZINC000225834068 538114227 /nfs/dbraw/zinc/11/42/27/538114227.db2.gz REVZSLUIAGKFDT-SECBINFHSA-N 1 2 206.289 2.691 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835743 538114231 /nfs/dbraw/zinc/11/42/31/538114231.db2.gz FFLIKYSRAQULQR-NXEZZACHSA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(N[C@H]2CC[C@H](C)C2)[nH+]c1 ZINC000225894723 538114535 /nfs/dbraw/zinc/11/45/35/538114535.db2.gz UZULCRXBSRLHRM-UWVGGRQHSA-N 1 2 206.289 2.691 20 0 BFADLO COc1ccc[nH+]c1NC1Cc2ccccc2C1 ZINC000225869682 538114451 /nfs/dbraw/zinc/11/44/51/538114451.db2.gz KPGHESMAEHWIBJ-UHFFFAOYSA-N 1 2 240.306 2.670 20 0 BFADLO Cc1cc(N2CC[C@@H]2c2ccccc2)nc[nH+]1 ZINC000334503323 353344212 /nfs/dbraw/zinc/34/42/12/353344212.db2.gz XXLGTRDMEVYUNQ-CYBMUJFWSA-N 1 2 225.295 2.736 20 0 BFADLO Fc1cc2cccnc2c(C[NH2+]CC(F)F)c1 ZINC000362325000 180948097 /nfs/dbraw/zinc/94/80/97/180948097.db2.gz REFRBONCDJWWSL-UHFFFAOYSA-N 1 2 240.228 2.729 20 0 BFADLO CCC(C)(CC)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366814591 353594494 /nfs/dbraw/zinc/59/44/94/353594494.db2.gz BNHCCEJYPSDIKR-JTQLQIEISA-N 1 2 249.358 2.525 20 0 BFADLO CCC(C)(CC)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366814591 353594495 /nfs/dbraw/zinc/59/44/95/353594495.db2.gz BNHCCEJYPSDIKR-JTQLQIEISA-N 1 2 249.358 2.525 20 0 BFADLO Cn1cc[nH+]c1[C@H](NC(C)(C)C(F)F)C1CC1 ZINC000639118152 353750268 /nfs/dbraw/zinc/75/02/68/353750268.db2.gz ATWLMYMNDNEBAZ-SECBINFHSA-N 1 2 243.301 2.505 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+]C(C)(C)C(F)F)c(C)n1 ZINC000639118935 353753559 /nfs/dbraw/zinc/75/35/59/353753559.db2.gz GWCRTZPVGJGFJG-MRVPVSSYSA-N 1 2 243.301 2.788 20 0 BFADLO C[N@H+](Cc1cscn1)Cc1ccc(F)cc1 ZINC000053095094 353794069 /nfs/dbraw/zinc/79/40/69/353794069.db2.gz LOQPZKWRUHMXJI-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cscn1)Cc1ccc(F)cc1 ZINC000053095094 353794070 /nfs/dbraw/zinc/79/40/70/353794070.db2.gz LOQPZKWRUHMXJI-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO c1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)sn1 ZINC000639157247 353872432 /nfs/dbraw/zinc/87/24/32/353872432.db2.gz NINULZKOZHFCGO-GFCCVEGCSA-N 1 2 248.355 2.593 20 0 BFADLO c1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)sn1 ZINC000639157247 353872436 /nfs/dbraw/zinc/87/24/36/353872436.db2.gz NINULZKOZHFCGO-GFCCVEGCSA-N 1 2 248.355 2.593 20 0 BFADLO C[C@@H]1CN(c2cccc[nH+]2)CC(C)(C)C1 ZINC000343484047 353905370 /nfs/dbraw/zinc/90/53/70/353905370.db2.gz VUUJVXZZOFNKIQ-NSHDSACASA-N 1 2 204.317 2.954 20 0 BFADLO CC[C@]1(C)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000343523402 353927486 /nfs/dbraw/zinc/92/74/86/353927486.db2.gz GIOYDUPYNNQZQF-CQSZACIVSA-N 1 2 231.343 2.980 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343799425 354003147 /nfs/dbraw/zinc/00/31/47/354003147.db2.gz XGADETSPOBBQAH-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343799425 354003150 /nfs/dbraw/zinc/00/31/50/354003150.db2.gz XGADETSPOBBQAH-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343807012 354010342 /nfs/dbraw/zinc/01/03/42/354010342.db2.gz NWHJBYHMTUXSJQ-LLVKDONJSA-N 1 2 246.358 2.899 20 0 BFADLO CC1(C)CC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343807012 354010346 /nfs/dbraw/zinc/01/03/46/354010346.db2.gz NWHJBYHMTUXSJQ-LLVKDONJSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343811907 354011953 /nfs/dbraw/zinc/01/19/53/354011953.db2.gz SLXRUBSACTVQKD-KOLCDFICSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343811907 354011956 /nfs/dbraw/zinc/01/19/56/354011956.db2.gz SLXRUBSACTVQKD-KOLCDFICSA-N 1 2 232.331 2.509 20 0 BFADLO Cc1nc(N2CC[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000343877430 354030019 /nfs/dbraw/zinc/03/00/19/354030019.db2.gz PGNWCULXVPTCRR-LLVKDONJSA-N 1 2 219.332 2.657 20 0 BFADLO CC(C)(C)[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000343831869 354033973 /nfs/dbraw/zinc/03/39/73/354033973.db2.gz NSRGODSFYLTSDB-NSHDSACASA-N 1 2 204.317 2.954 20 0 BFADLO Cc1cc(NC[C@@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000230433834 363311235 /nfs/dbraw/zinc/31/12/35/363311235.db2.gz AHIHETHHJWBJOR-GXSJLCMTSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1cc(NC[C@H]2CCC[C@H]2C)nc[nH+]1 ZINC000230696363 363321448 /nfs/dbraw/zinc/32/14/48/363321448.db2.gz RQCSEYMANWWWHH-MWLCHTKSSA-N 1 2 205.305 2.633 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)C[C@@H]1CC=CCC1 ZINC000344080292 354135094 /nfs/dbraw/zinc/13/50/94/354135094.db2.gz YWCZCWVLWBSDPC-LLVKDONJSA-N 1 2 247.342 2.735 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)C[C@@H]1CC=CCC1 ZINC000344080292 354135095 /nfs/dbraw/zinc/13/50/95/354135095.db2.gz YWCZCWVLWBSDPC-LLVKDONJSA-N 1 2 247.342 2.735 20 0 BFADLO COCCC(C)(C)CNc1cccc[nH+]1 ZINC000230843151 363325405 /nfs/dbraw/zinc/32/54/05/363325405.db2.gz QMGOAHFSTJMBPZ-UHFFFAOYSA-N 1 2 208.305 2.556 20 0 BFADLO C[C@H](CNc1cccc[nH+]1)c1nccs1 ZINC000230611865 363314328 /nfs/dbraw/zinc/31/43/28/363314328.db2.gz BUEZGIQBGBNOMC-SECBINFHSA-N 1 2 219.313 2.754 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccc2c(n1)CCC2 ZINC000334560211 354112167 /nfs/dbraw/zinc/11/21/67/354112167.db2.gz ZTCOYRJWJCVLIE-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000344119448 354143548 /nfs/dbraw/zinc/14/35/48/354143548.db2.gz OTSJSTGIQVDKFT-NEPJUHHUSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000344119448 354143551 /nfs/dbraw/zinc/14/35/51/354143551.db2.gz OTSJSTGIQVDKFT-NEPJUHHUSA-N 1 2 247.329 2.780 20 0 BFADLO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccoc1 ZINC000178790499 366164308 /nfs/dbraw/zinc/16/43/08/366164308.db2.gz REAHZQDFLORCEJ-LBPRGKRZSA-N 1 2 247.342 2.983 20 0 BFADLO CO[C@H]1c2ccccc2C[C@H]1Nc1cccc[nH+]1 ZINC000334667390 354406787 /nfs/dbraw/zinc/40/67/87/354406787.db2.gz LAXWLJWEUKTOGT-HIFRSBDPSA-N 1 2 240.306 2.806 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(C)CC1 ZINC000334684394 354430513 /nfs/dbraw/zinc/43/05/13/354430513.db2.gz URNUHVKGPOJRQN-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO CC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCCC1 ZINC000334650290 354442497 /nfs/dbraw/zinc/44/24/97/354442497.db2.gz FLYKAZFIKDLPMP-UHFFFAOYSA-N 1 2 247.342 2.738 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]1C1CC1 ZINC000334689086 354477753 /nfs/dbraw/zinc/47/77/53/354477753.db2.gz JNGTUCHYDFAUNA-LBPRGKRZSA-N 1 2 245.326 2.715 20 0 BFADLO C[C@@H](Cc1ccsc1)Nc1ccc(CO)c[nH+]1 ZINC000578056878 366205861 /nfs/dbraw/zinc/20/58/61/366205861.db2.gz AMRBKFACGFRTSA-JTQLQIEISA-N 1 2 248.351 2.679 20 0 BFADLO C[C@H]1C[C@H](NC(=O)CC2CCCC2)c2[nH+]ccn21 ZINC000334742778 354546088 /nfs/dbraw/zinc/54/60/88/354546088.db2.gz HHJXSLDTSSTMSL-JQWIXIFHSA-N 1 2 247.342 2.585 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1CC=CCC1 ZINC000334698015 354490092 /nfs/dbraw/zinc/49/00/92/354490092.db2.gz VEBRXIZVLHWVQV-LLVKDONJSA-N 1 2 245.326 2.514 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC000334710227 354506880 /nfs/dbraw/zinc/50/68/80/354506880.db2.gz ZZZXUMYKBXXFTM-UFBFGSQYSA-N 1 2 247.342 2.927 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@@H]2C)[nH+]1 ZINC000334710779 354507802 /nfs/dbraw/zinc/50/78/02/354507802.db2.gz PRSWOTXGQYGMRR-BDAKNGLRSA-N 1 2 230.315 2.501 20 0 BFADLO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000334714311 354511787 /nfs/dbraw/zinc/51/17/87/354511787.db2.gz MOVWQZMUSSMPBW-QWRGUYRKSA-N 1 2 249.358 2.687 20 0 BFADLO O[C@@H]1CCC[C@H]1Nc1[nH+]ccc2ccc(F)cc21 ZINC000334714652 354512694 /nfs/dbraw/zinc/51/26/94/354512694.db2.gz DUVKHOCFKADEEE-CHWSQXEVSA-N 1 2 246.285 2.699 20 0 BFADLO Cc1cc(C[NH+]2CC3(C2)CCCCC3)no1 ZINC000334715110 354513061 /nfs/dbraw/zinc/51/30/61/354513061.db2.gz MAORJJXHZPLVJW-UHFFFAOYSA-N 1 2 220.316 2.749 20 0 BFADLO Fc1ccc2nc(C[N@H+]3CC[C@@H](F)C3)oc2c1 ZINC000334813408 354570642 /nfs/dbraw/zinc/57/06/42/354570642.db2.gz RZAOVXFWFBMEEM-SECBINFHSA-N 1 2 238.237 2.511 20 0 BFADLO Fc1ccc2nc(C[N@@H+]3CC[C@@H](F)C3)oc2c1 ZINC000334813408 354570646 /nfs/dbraw/zinc/57/06/46/354570646.db2.gz RZAOVXFWFBMEEM-SECBINFHSA-N 1 2 238.237 2.511 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334771436 354591022 /nfs/dbraw/zinc/59/10/22/354591022.db2.gz XLIGPPYNHCZFFW-NSHDSACASA-N 1 2 231.299 2.648 20 0 BFADLO Cc1ccoc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334771436 354591023 /nfs/dbraw/zinc/59/10/23/354591023.db2.gz XLIGPPYNHCZFFW-NSHDSACASA-N 1 2 231.299 2.648 20 0 BFADLO Cc1nc(N(C)Cc2ccoc2)c(C)c(C)[nH+]1 ZINC000334772421 354592704 /nfs/dbraw/zinc/59/27/04/354592704.db2.gz UQBRCOCHWHSIOW-UHFFFAOYSA-N 1 2 231.299 2.631 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2CC(C)(C)C2)c[nH+]1 ZINC000334743995 354547530 /nfs/dbraw/zinc/54/75/30/354547530.db2.gz ZFARIQKSXNNFCN-UHFFFAOYSA-N 1 2 246.354 2.751 20 0 BFADLO C[C@H]1CC[C@H](C)[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092141 354628128 /nfs/dbraw/zinc/62/81/28/354628128.db2.gz ADCYOVWHBVICAG-YUMQZZPRSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092141 354628129 /nfs/dbraw/zinc/62/81/29/354628129.db2.gz ADCYOVWHBVICAG-YUMQZZPRSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)CCS1 ZINC000335081693 354645196 /nfs/dbraw/zinc/64/51/96/354645196.db2.gz VSHGYHQDNAHQNN-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)CCS1 ZINC000335081693 354645198 /nfs/dbraw/zinc/64/51/98/354645198.db2.gz VSHGYHQDNAHQNN-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO CC[C@H]1CC[N@@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202460 354608054 /nfs/dbraw/zinc/60/80/54/354608054.db2.gz BVSFFKWDGFDLRM-QWHCGFSZSA-N 1 2 248.374 2.910 20 0 BFADLO CC[C@H]1CC[N@H+]1[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000639202460 354608057 /nfs/dbraw/zinc/60/80/57/354608057.db2.gz BVSFFKWDGFDLRM-QWHCGFSZSA-N 1 2 248.374 2.910 20 0 BFADLO COc1cccc(C)c1C[NH2+]CC(C)(F)F ZINC000639208402 354711774 /nfs/dbraw/zinc/71/17/74/354711774.db2.gz SXRHNMNKVSUPJI-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO CC[C@@H](N[C@H](c1[nH+]ccn1C)C1CC1)C(F)F ZINC000639213516 354791515 /nfs/dbraw/zinc/79/15/15/354791515.db2.gz HKUJQYRYBOIVBQ-ZJUUUORDSA-N 1 2 243.301 2.505 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)ns1)C(F)F ZINC000639214925 354809970 /nfs/dbraw/zinc/80/99/70/354809970.db2.gz UCQHBEUQLXRGLC-QMMMGPOBSA-N 1 2 220.288 2.585 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(F)c1N)C(F)F ZINC000639214945 354810830 /nfs/dbraw/zinc/81/08/30/354810830.db2.gz UFORVATZNKOOPM-VIFPVBQESA-N 1 2 232.249 2.541 20 0 BFADLO CC[C@@H]1CCCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000053602212 363417303 /nfs/dbraw/zinc/41/73/03/363417303.db2.gz OKGVWTKTAJPUCA-LLVKDONJSA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@@H]1CCCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000053602212 363417305 /nfs/dbraw/zinc/41/73/05/363417305.db2.gz OKGVWTKTAJPUCA-LLVKDONJSA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1cc(C)[nH+]cn1 ZINC000335946307 134020519 /nfs/dbraw/zinc/02/05/19/134020519.db2.gz UZRYKMGZNQXQRV-WDEREUQCSA-N 1 2 205.305 2.552 20 0 BFADLO CC[C@@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000346319208 354894603 /nfs/dbraw/zinc/89/46/03/354894603.db2.gz DZWZUTFXFKJKER-NSHDSACASA-N 1 2 207.292 2.834 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)c[nH+]1 ZINC000412808968 191313020 /nfs/dbraw/zinc/31/30/20/191313020.db2.gz HDALNSKCLCFCFA-GHMZBOCLSA-N 1 2 249.358 2.663 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H](F)C2)cc[nH+]1 ZINC000335206789 355043194 /nfs/dbraw/zinc/04/31/94/355043194.db2.gz KVEDYDUZLYKJPG-SNVBAGLBSA-N 1 2 223.295 2.538 20 0 BFADLO c1c[nH+]c(COCc2cc3ccccc3o2)[nH]1 ZINC000346633626 355014643 /nfs/dbraw/zinc/01/46/43/355014643.db2.gz XPJFPULQAVLBCD-UHFFFAOYSA-N 1 2 228.251 2.873 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)on1 ZINC000335183232 355081109 /nfs/dbraw/zinc/08/11/09/355081109.db2.gz GAFLMOZCLJZYON-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccc(C)cc3C2)on1 ZINC000335183232 355081114 /nfs/dbraw/zinc/08/11/14/355081114.db2.gz GAFLMOZCLJZYON-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC23CCCCC3)cc[nH+]1 ZINC000346821880 355124820 /nfs/dbraw/zinc/12/48/20/355124820.db2.gz YDIRMSPKJOHGTD-CYBMUJFWSA-N 1 2 244.338 2.721 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC000639229771 355157040 /nfs/dbraw/zinc/15/70/40/355157040.db2.gz YIMXQRMUBSZGIT-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC000639229771 355157045 /nfs/dbraw/zinc/15/70/45/355157045.db2.gz YIMXQRMUBSZGIT-NSHDSACASA-N 1 2 211.255 2.678 20 0 BFADLO c1nc(NC2CC2)cc(NCC2CCCC2)[nH+]1 ZINC000413043928 191349938 /nfs/dbraw/zinc/34/99/38/191349938.db2.gz CULULCFBSVSLRY-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO c1nc(NCC2CCCC2)cc(NC2CC2)[nH+]1 ZINC000413043928 191349941 /nfs/dbraw/zinc/34/99/41/191349941.db2.gz CULULCFBSVSLRY-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO CC(C)(C)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413066063 191351431 /nfs/dbraw/zinc/35/14/31/191351431.db2.gz FDYVMRATLTZPAU-UHFFFAOYSA-N 1 2 220.320 2.509 20 0 BFADLO CC(C)(C)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413066063 191351432 /nfs/dbraw/zinc/35/14/32/191351432.db2.gz FDYVMRATLTZPAU-UHFFFAOYSA-N 1 2 220.320 2.509 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCCC[C@H]1F ZINC000413533295 191392933 /nfs/dbraw/zinc/39/29/33/191392933.db2.gz PITRIMPXNMFAHR-GHMZBOCLSA-N 1 2 247.317 2.688 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241041 191363208 /nfs/dbraw/zinc/36/32/08/191363208.db2.gz GJKFFCXCWHNSIM-GXSJLCMTSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241041 191363210 /nfs/dbraw/zinc/36/32/10/191363210.db2.gz GJKFFCXCWHNSIM-GXSJLCMTSA-N 1 2 232.331 2.651 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(CC(F)F)C2)sn1 ZINC000639284152 355382337 /nfs/dbraw/zinc/38/23/37/355382337.db2.gz QCONNDPCKXYSKG-UHFFFAOYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cc(N2CCC23CCC3)nc(C2CC2)[nH+]1 ZINC000335778535 355404850 /nfs/dbraw/zinc/40/48/50/355404850.db2.gz JGAUXUBCXPQFJP-UHFFFAOYSA-N 1 2 229.327 2.795 20 0 BFADLO CC1=C(c2ccco2)C[N@H+](Cc2ncc[nH]2)CC1 ZINC000335795612 355451994 /nfs/dbraw/zinc/45/19/94/355451994.db2.gz HULSABAGLBGBJS-UHFFFAOYSA-N 1 2 243.310 2.682 20 0 BFADLO CC1=C(c2ccco2)C[N@@H+](Cc2ncc[nH]2)CC1 ZINC000335795612 355451998 /nfs/dbraw/zinc/45/19/98/355451998.db2.gz HULSABAGLBGBJS-UHFFFAOYSA-N 1 2 243.310 2.682 20 0 BFADLO C[NH2+]Cc1noc(C[C@H]2CCCCC2(C)C)n1 ZINC000349934315 355530947 /nfs/dbraw/zinc/53/09/47/355530947.db2.gz KOABDEZUYHUQKB-SNVBAGLBSA-N 1 2 237.347 2.548 20 0 BFADLO C[NH2+]Cc1noc(/C=C/c2cc(C)cc(C)c2)n1 ZINC000349903823 355522981 /nfs/dbraw/zinc/52/29/81/355522981.db2.gz BOMJJKFNUPSWMR-SNAWJCMRSA-N 1 2 243.310 2.576 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1[nH+]cccc1SC ZINC000639292664 355523876 /nfs/dbraw/zinc/52/38/76/355523876.db2.gz MQKDFJHZYPXFSK-RKDXNWHRSA-N 1 2 226.345 2.639 20 0 BFADLO CO[C@@H](CNc1[nH+]cccc1SC)C1CC1 ZINC000639292706 355525545 /nfs/dbraw/zinc/52/55/45/355525545.db2.gz NPCMAIJBUINWSZ-JTQLQIEISA-N 1 2 238.356 2.640 20 0 BFADLO C[NH2+]Cc1noc([C@@H](c2ccccc2)C(C)C)n1 ZINC000349923991 355528803 /nfs/dbraw/zinc/52/88/03/355528803.db2.gz YZXIKGFMIIFIAQ-CYBMUJFWSA-N 1 2 245.326 2.577 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000639302408 355647577 /nfs/dbraw/zinc/64/75/77/355647577.db2.gz FFXYJWIXYBEAPJ-WDEREUQCSA-N 1 2 234.343 2.796 20 0 BFADLO Cc1nccc(C[N@@H+](C)Cc2ccccc2F)n1 ZINC000350244059 355655691 /nfs/dbraw/zinc/65/56/91/355655691.db2.gz YHHHGCQIXQZMLA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1nccc(C[N@H+](C)Cc2ccccc2F)n1 ZINC000350244059 355655694 /nfs/dbraw/zinc/65/56/94/355655694.db2.gz YHHHGCQIXQZMLA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC1=C[C@H](C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000335882818 355672564 /nfs/dbraw/zinc/67/25/64/355672564.db2.gz XESWLOMFKANRKB-JTQLQIEISA-N 1 2 229.327 2.756 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1ccncc1Cl ZINC000350685040 355741507 /nfs/dbraw/zinc/74/15/07/355741507.db2.gz NAKFIXAKCKRXBJ-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1ccncc1Cl ZINC000350685040 355741509 /nfs/dbraw/zinc/74/15/09/355741509.db2.gz NAKFIXAKCKRXBJ-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cc(C)ns1 ZINC000639350944 355799027 /nfs/dbraw/zinc/79/90/27/355799027.db2.gz UWUCRXAXCFAENC-UHFFFAOYSA-N 1 2 220.288 2.586 20 0 BFADLO Cc1nc(C[NH+]2CC(c3ccccc3)C2)[nH]c1C ZINC000639361504 355815372 /nfs/dbraw/zinc/81/53/72/355815372.db2.gz FCSHIHCUPIDUOM-UHFFFAOYSA-N 1 2 241.338 2.626 20 0 BFADLO Cc1[nH]c(CN2CC(c3ccccc3)C2)[nH+]c1C ZINC000639361504 355815376 /nfs/dbraw/zinc/81/53/76/355815376.db2.gz FCSHIHCUPIDUOM-UHFFFAOYSA-N 1 2 241.338 2.626 20 0 BFADLO c1csc(C[NH+]2CC(c3ccccc3)C2)n1 ZINC000639361440 355815655 /nfs/dbraw/zinc/81/56/55/355815655.db2.gz BJCWNILWQQUADI-UHFFFAOYSA-N 1 2 230.336 2.743 20 0 BFADLO CC[C@H]1C[C@@H](Nc2c[nH+]cc(N(C)C)c2)CCO1 ZINC000639364239 355833320 /nfs/dbraw/zinc/83/33/20/355833320.db2.gz GYJGXMOYXYWNGA-FZMZJTMJSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1cc(F)ccc1CNc1cccc(CO)[nH+]1 ZINC000351407262 355985724 /nfs/dbraw/zinc/98/57/24/355985724.db2.gz GDLWJMZZAXKONH-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO OCc1cccc(NCc2cccc(Cl)c2)[nH+]1 ZINC000351409852 355986478 /nfs/dbraw/zinc/98/64/78/355986478.db2.gz HXPLWNXCCLJERH-UHFFFAOYSA-N 1 2 248.713 2.839 20 0 BFADLO CC[C@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000389280592 355947973 /nfs/dbraw/zinc/94/79/73/355947973.db2.gz RMFPWLMCGKHMRM-IONNQARKSA-N 1 2 209.255 2.963 20 0 BFADLO CCc1ccc(CNc2ccc(C)[nH+]c2)cn1 ZINC000351641361 356041421 /nfs/dbraw/zinc/04/14/21/356041421.db2.gz NXKYCBKSZGOGOD-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccon2)c1 ZINC000351592305 356023827 /nfs/dbraw/zinc/02/38/27/356023827.db2.gz JPHDFMDTYQJAGM-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2c(C)cccc2C)o1 ZINC000351590980 356024108 /nfs/dbraw/zinc/02/41/08/356024108.db2.gz ADWPCTGBNMUCJA-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CC(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000639438600 356214964 /nfs/dbraw/zinc/21/49/64/356214964.db2.gz RTNIEDVBEFJACS-VIFPVBQESA-N 1 2 227.254 2.547 20 0 BFADLO CC(=O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000639438600 356214967 /nfs/dbraw/zinc/21/49/67/356214967.db2.gz RTNIEDVBEFJACS-VIFPVBQESA-N 1 2 227.254 2.547 20 0 BFADLO CCn1c2ccccc2nc1C[NH+]1CC(C)(C)C1 ZINC000639406532 356200363 /nfs/dbraw/zinc/20/03/63/356200363.db2.gz QUEVLZJYAUDJIP-UHFFFAOYSA-N 1 2 243.354 2.898 20 0 BFADLO CCN1C(=O)C(C)(C)[NH2+][C@@]12CCCC(C)(C)C2 ZINC000639428496 356209701 /nfs/dbraw/zinc/20/97/01/356209701.db2.gz VZMWNOFIGVRLHC-AWEZNQCLSA-N 1 2 238.375 2.513 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC(C)(C)CO1 ZINC000639469637 356255653 /nfs/dbraw/zinc/25/56/53/356255653.db2.gz VBLVDWOKMMKMMS-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC(C)(C)CO1 ZINC000639469637 356255655 /nfs/dbraw/zinc/25/56/55/356255655.db2.gz VBLVDWOKMMKMMS-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336113469 134087095 /nfs/dbraw/zinc/08/70/95/134087095.db2.gz SKXIULROJUMOJK-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000336113469 134087096 /nfs/dbraw/zinc/08/70/96/134087096.db2.gz SKXIULROJUMOJK-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO CC[C@H](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000617637635 356238074 /nfs/dbraw/zinc/23/80/74/356238074.db2.gz ZYCGYAWMWLZVKN-NSHDSACASA-N 1 2 245.326 2.500 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000639454929 356239633 /nfs/dbraw/zinc/23/96/33/356239633.db2.gz MHWKQGALTPRPOU-JTQLQIEISA-N 1 2 243.301 2.634 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000639454929 356239634 /nfs/dbraw/zinc/23/96/34/356239634.db2.gz MHWKQGALTPRPOU-JTQLQIEISA-N 1 2 243.301 2.634 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCCOC(C)C ZINC000639496857 356324076 /nfs/dbraw/zinc/32/40/76/356324076.db2.gz XNIHRWYTCQPNAS-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCCOC(C)C ZINC000639496857 356324080 /nfs/dbraw/zinc/32/40/80/356324080.db2.gz XNIHRWYTCQPNAS-UHFFFAOYSA-N 1 2 223.307 2.779 20 0 BFADLO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119610 134089990 /nfs/dbraw/zinc/08/99/90/134089990.db2.gz AXUJWYKTAYOSSV-YGRLFVJLSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119610 134089991 /nfs/dbraw/zinc/08/99/91/134089991.db2.gz AXUJWYKTAYOSSV-YGRLFVJLSA-N 1 2 247.313 2.724 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCCOC(C)(C)C1 ZINC000639492723 356318959 /nfs/dbraw/zinc/31/89/59/356318959.db2.gz GCBONPNPXFCICZ-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+]1CCCOC(C)(C)C1 ZINC000639492723 356318963 /nfs/dbraw/zinc/31/89/63/356318963.db2.gz GCBONPNPXFCICZ-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(OCC2CC2)CC1 ZINC000639504359 356331048 /nfs/dbraw/zinc/33/10/48/356331048.db2.gz QQMVFYHOTBIPCH-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@H]1CCCO1 ZINC000352549010 356377926 /nfs/dbraw/zinc/37/79/26/356377926.db2.gz XNDRLEXWEPTGQK-GFCCVEGCSA-N 1 2 235.327 2.900 20 0 BFADLO CC[C@](C)([NH2+]C[C@@H]1CCO[C@H]1C)C(F)(F)F ZINC000639536497 356387489 /nfs/dbraw/zinc/38/74/89/356387489.db2.gz ZLQBAEFBHLRYRW-GUBZILKMSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1cc(C)c(NC(=O)N(C)C2CC2)c(C)[nH+]1 ZINC000336145189 134101656 /nfs/dbraw/zinc/10/16/56/134101656.db2.gz UUQVSNBPCWFGBU-UHFFFAOYSA-N 1 2 233.315 2.633 20 0 BFADLO Cc1cc(NC(=O)N2CCCCC[C@H]2C)cc[nH+]1 ZINC000336145844 134102108 /nfs/dbraw/zinc/10/21/08/134102108.db2.gz OSUPMVOZPVHHPY-GFCCVEGCSA-N 1 2 247.342 2.608 20 0 BFADLO CC(=O)C[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000639557940 356462166 /nfs/dbraw/zinc/46/21/66/356462166.db2.gz VCCZEYUWEPWZIC-KOLCDFICSA-N 1 2 235.302 2.722 20 0 BFADLO CC(=O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000639557940 356462168 /nfs/dbraw/zinc/46/21/68/356462168.db2.gz VCCZEYUWEPWZIC-KOLCDFICSA-N 1 2 235.302 2.722 20 0 BFADLO CC1(C)C[NH+](Cc2nccs2)CC(C)(C)O1 ZINC000190527363 356446567 /nfs/dbraw/zinc/44/65/67/356446567.db2.gz DBDXLHRRHNCMPO-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CCC(CC)NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420775580 192260240 /nfs/dbraw/zinc/26/02/40/192260240.db2.gz UNBSVRRJMQXOFA-UHFFFAOYSA-N 1 2 249.358 2.686 20 0 BFADLO Cc1cc(CNC(=O)NCCC(C)C)cc(C)[nH+]1 ZINC000420754678 192258669 /nfs/dbraw/zinc/25/86/69/192258669.db2.gz AYLGPWWPXIAGDZ-UHFFFAOYSA-N 1 2 249.358 2.544 20 0 BFADLO CC[C@@H](C)CNC(=O)NCc1c[nH+]c(C)cc1C ZINC000420857941 192264520 /nfs/dbraw/zinc/26/45/20/192264520.db2.gz IDGZWPKGBZFHDC-SNVBAGLBSA-N 1 2 249.358 2.544 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420901372 192268714 /nfs/dbraw/zinc/26/87/14/192268714.db2.gz KXTNBDREJVIIFF-VIFPVBQESA-N 1 2 229.755 2.694 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420901372 192268716 /nfs/dbraw/zinc/26/87/16/192268716.db2.gz KXTNBDREJVIIFF-VIFPVBQESA-N 1 2 229.755 2.694 20 0 BFADLO Fc1ccccc1C1C[NH+](CC2(F)CC2)C1 ZINC000578106697 366251453 /nfs/dbraw/zinc/25/14/53/366251453.db2.gz RXIKALQJDUIQBD-UHFFFAOYSA-N 1 2 223.266 2.727 20 0 BFADLO CC(C)C[N@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000420898329 192269042 /nfs/dbraw/zinc/26/90/42/192269042.db2.gz COAASUCSEMZZLS-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO CC(C)C[N@@H+](Cc1nn(C)cc1Cl)C1CC1 ZINC000420898329 192269045 /nfs/dbraw/zinc/26/90/45/192269045.db2.gz COAASUCSEMZZLS-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000639597112 356516135 /nfs/dbraw/zinc/51/61/35/356516135.db2.gz ALCUWQAQYHXTDE-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000639597112 356516139 /nfs/dbraw/zinc/51/61/39/356516139.db2.gz ALCUWQAQYHXTDE-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000639618221 356534515 /nfs/dbraw/zinc/53/45/15/356534515.db2.gz GCAKYRFNJKBANF-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000639618221 356534518 /nfs/dbraw/zinc/53/45/18/356534518.db2.gz GCAKYRFNJKBANF-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@]1(CO)CC[N@H+](CC(F)(F)CC)C1 ZINC000639648157 356554693 /nfs/dbraw/zinc/55/46/93/356554693.db2.gz YLHUQXVNCUMATD-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO CCC[C@]1(CO)CC[N@@H+](CC(F)(F)CC)C1 ZINC000639648157 356554694 /nfs/dbraw/zinc/55/46/94/356554694.db2.gz YLHUQXVNCUMATD-NSHDSACASA-N 1 2 235.318 2.516 20 0 BFADLO Cc1cc(N2CC[C@@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000336198708 134127974 /nfs/dbraw/zinc/12/79/74/134127974.db2.gz ORSMMBCSYSXAFP-GFCCVEGCSA-N 1 2 231.343 2.897 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000639644927 356558218 /nfs/dbraw/zinc/55/82/18/356558218.db2.gz AUIACBCZYPUBEL-GFCCVEGCSA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000639644927 356558222 /nfs/dbraw/zinc/55/82/22/356558222.db2.gz AUIACBCZYPUBEL-GFCCVEGCSA-N 1 2 240.297 2.916 20 0 BFADLO CC(=O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000639648810 356560830 /nfs/dbraw/zinc/56/08/30/356560830.db2.gz PYVNKSXWCOOSNL-NSHDSACASA-N 1 2 223.341 2.720 20 0 BFADLO CC(=O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000639648810 356560835 /nfs/dbraw/zinc/56/08/35/356560835.db2.gz PYVNKSXWCOOSNL-NSHDSACASA-N 1 2 223.341 2.720 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000639650093 356561850 /nfs/dbraw/zinc/56/18/50/356561850.db2.gz VYDYEGBMJQABML-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000639650093 356561855 /nfs/dbraw/zinc/56/18/55/356561855.db2.gz VYDYEGBMJQABML-MNOVXSKESA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000639650096 356562009 /nfs/dbraw/zinc/56/20/09/356562009.db2.gz VYDYEGBMJQABML-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO CCC(F)(F)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000639650096 356562013 /nfs/dbraw/zinc/56/20/13/356562013.db2.gz VYDYEGBMJQABML-QWRGUYRKSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336214329 134135984 /nfs/dbraw/zinc/13/59/84/134135984.db2.gz HOPLOBYWYNHAAW-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1cc(C[N@H+]2CCC[C@](C)(F)C2)cn1 ZINC000336214329 134135985 /nfs/dbraw/zinc/13/59/85/134135985.db2.gz HOPLOBYWYNHAAW-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000639656823 356572405 /nfs/dbraw/zinc/57/24/05/356572405.db2.gz ZFQDELADKBDLCO-GFCCVEGCSA-N 1 2 237.730 2.718 20 0 BFADLO CC(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000639656823 356572409 /nfs/dbraw/zinc/57/24/09/356572409.db2.gz ZFQDELADKBDLCO-GFCCVEGCSA-N 1 2 237.730 2.718 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000639697529 356601739 /nfs/dbraw/zinc/60/17/39/356601739.db2.gz FZHDTHAXHQZSOR-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000639697529 356601742 /nfs/dbraw/zinc/60/17/42/356601742.db2.gz FZHDTHAXHQZSOR-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(=O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000639692117 356601772 /nfs/dbraw/zinc/60/17/72/356601772.db2.gz CTDAHETYOSPYFW-UHFFFAOYSA-N 1 2 223.703 2.508 20 0 BFADLO CC[NH+](CC)Cc1nnc(C(C)C)s1 ZINC000450246633 202105878 /nfs/dbraw/zinc/10/58/78/202105878.db2.gz VHMKJAJFQKDUBZ-UHFFFAOYSA-N 1 2 213.350 2.503 20 0 BFADLO C[C@H](c1csnn1)[N@H+](C)Cc1ccccc1 ZINC000450236586 202103038 /nfs/dbraw/zinc/10/30/38/202103038.db2.gz DAJZGWLETCRZLJ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1csnn1)[N@@H+](C)Cc1ccccc1 ZINC000450236586 202103041 /nfs/dbraw/zinc/10/30/41/202103041.db2.gz DAJZGWLETCRZLJ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1csnn1)[N@H+](C)CCc1ccccc1 ZINC000450271341 202116247 /nfs/dbraw/zinc/11/62/47/202116247.db2.gz QCXHMLLUCOGQGH-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO C[C@H](c1csnn1)[N@@H+](C)CCc1ccccc1 ZINC000450271341 202116249 /nfs/dbraw/zinc/11/62/49/202116249.db2.gz QCXHMLLUCOGQGH-LLVKDONJSA-N 1 2 247.367 2.774 20 0 BFADLO C[C@@H](c1csnn1)[N@H+](C)CC(C)(C)C ZINC000450339628 202133684 /nfs/dbraw/zinc/13/36/84/202133684.db2.gz BGLBBORPIHYICL-QMMMGPOBSA-N 1 2 213.350 2.577 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+](C)CC(C)(C)C ZINC000450339628 202133688 /nfs/dbraw/zinc/13/36/88/202133688.db2.gz BGLBBORPIHYICL-QMMMGPOBSA-N 1 2 213.350 2.577 20 0 BFADLO CCC[N@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000450355586 202141585 /nfs/dbraw/zinc/14/15/85/202141585.db2.gz RNYGBXHMOSDNRJ-UHFFFAOYSA-N 1 2 237.372 2.790 20 0 BFADLO CCC[N@@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000450355586 202141588 /nfs/dbraw/zinc/14/15/88/202141588.db2.gz RNYGBXHMOSDNRJ-UHFFFAOYSA-N 1 2 237.372 2.790 20 0 BFADLO COc1cc(C)[nH+]c(CN[C@@H](C)C(C)(F)F)c1 ZINC000389449428 356675054 /nfs/dbraw/zinc/67/50/54/356675054.db2.gz QVUKEWOQOSFCIJ-VIFPVBQESA-N 1 2 244.285 2.532 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)C(C)(F)F ZINC000389464946 356679549 /nfs/dbraw/zinc/67/95/49/356679549.db2.gz HYEUTGBCRDQVOP-NKWVEPMBSA-N 1 2 220.288 2.837 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cncc(F)c1 ZINC000389482347 356689183 /nfs/dbraw/zinc/68/91/83/356689183.db2.gz HPBVVXVJPTXFRL-HTQZYQBOSA-N 1 2 232.249 2.915 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1F ZINC000389483508 356689713 /nfs/dbraw/zinc/68/97/13/356689713.db2.gz YSVPVQBKMHMFJG-QMMMGPOBSA-N 1 2 247.260 2.968 20 0 BFADLO COCc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389496938 356691935 /nfs/dbraw/zinc/69/19/35/356691935.db2.gz ZIHKTCNLIMMQEB-SNVBAGLBSA-N 1 2 243.297 2.966 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389469597 356683793 /nfs/dbraw/zinc/68/37/93/356683793.db2.gz ONKGYONBQFDINR-SECBINFHSA-N 1 2 229.270 2.829 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000389477909 356685791 /nfs/dbraw/zinc/68/57/91/356685791.db2.gz BBKWQKNVCVEFBC-IUCAKERBSA-N 1 2 231.290 2.597 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000389477917 356685808 /nfs/dbraw/zinc/68/58/08/356685808.db2.gz BBKWQKNVCVEFBC-RKDXNWHRSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn[nH]2)s1 ZINC000450403339 202155073 /nfs/dbraw/zinc/15/50/73/202155073.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnn[nH]2)s1 ZINC000450403339 202155076 /nfs/dbraw/zinc/15/50/76/202155076.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c[nH]nn2)s1 ZINC000450403339 202155078 /nfs/dbraw/zinc/15/50/78/202155078.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]nn2)s1 ZINC000450403339 202155082 /nfs/dbraw/zinc/15/50/82/202155082.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cn[nH]n2)s1 ZINC000450403339 202155084 /nfs/dbraw/zinc/15/50/84/202155084.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cn[nH]n2)s1 ZINC000450403339 202155086 /nfs/dbraw/zinc/15/50/86/202155086.db2.gz CWDXRSIVRFORKX-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO c1[nH+]c2ccccn2c1CSC1CCOCC1 ZINC000180005169 366352663 /nfs/dbraw/zinc/35/26/63/366352663.db2.gz SWEIOJXBABPCSJ-UHFFFAOYSA-N 1 2 248.351 2.747 20 0 BFADLO C[C@@H]1OCC[C@@H]1SCc1c[nH+]c2ccccn12 ZINC000180003954 366352923 /nfs/dbraw/zinc/35/29/23/366352923.db2.gz XXIHCOCRSAOIIP-JQWIXIFHSA-N 1 2 248.351 2.745 20 0 BFADLO CCC[C@@H](C)C[N@H+](CCOC)CC(F)F ZINC000180013971 366354235 /nfs/dbraw/zinc/35/42/35/366354235.db2.gz HLYNRJJEMHPIDL-SNVBAGLBSA-N 1 2 223.307 2.636 20 0 BFADLO CCC[C@@H](C)C[N@@H+](CCOC)CC(F)F ZINC000180013971 366354238 /nfs/dbraw/zinc/35/42/38/366354238.db2.gz HLYNRJJEMHPIDL-SNVBAGLBSA-N 1 2 223.307 2.636 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@@H]2CF)s1 ZINC000354524708 356740059 /nfs/dbraw/zinc/74/00/59/356740059.db2.gz YBGGOJVIPWPWES-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@@H]2CF)s1 ZINC000354524708 356740061 /nfs/dbraw/zinc/74/00/61/356740061.db2.gz YBGGOJVIPWPWES-SECBINFHSA-N 1 2 228.336 2.639 20 0 BFADLO C[N@H+](Cc1cc(C2CC2)no1)Cc1ccns1 ZINC000639806876 356778688 /nfs/dbraw/zinc/77/86/88/356778688.db2.gz IHAGNLCJUJDOSW-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1ccns1 ZINC000639806876 356778694 /nfs/dbraw/zinc/77/86/94/356778694.db2.gz IHAGNLCJUJDOSW-UHFFFAOYSA-N 1 2 249.339 2.641 20 0 BFADLO CCCCCNC(=O)c1cc(C)cn2cc[nH+]c12 ZINC000623346315 356753655 /nfs/dbraw/zinc/75/36/55/356753655.db2.gz MHVUQVBCDYLPPS-UHFFFAOYSA-N 1 2 245.326 2.563 20 0 BFADLO CC(=O)C[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000639799370 356762974 /nfs/dbraw/zinc/76/29/74/356762974.db2.gz XDMHCEUOGKUHCQ-UHFFFAOYSA-N 1 2 231.339 2.757 20 0 BFADLO CC(=O)C[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000639799370 356762975 /nfs/dbraw/zinc/76/29/75/356762975.db2.gz XDMHCEUOGKUHCQ-UHFFFAOYSA-N 1 2 231.339 2.757 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000358690025 356875461 /nfs/dbraw/zinc/87/54/61/356875461.db2.gz MSJHCUAVZBJUIM-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639842331 356836212 /nfs/dbraw/zinc/83/62/12/356836212.db2.gz COZRWYSUUPKSCX-VIFPVBQESA-N 1 2 245.248 2.566 20 0 BFADLO FC(F)(F)CC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000639842331 356836216 /nfs/dbraw/zinc/83/62/16/356836216.db2.gz COZRWYSUUPKSCX-VIFPVBQESA-N 1 2 245.248 2.566 20 0 BFADLO CC(C)[N@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450499687 202188101 /nfs/dbraw/zinc/18/81/01/202188101.db2.gz LFWOTMGCSDUFSK-UHFFFAOYSA-N 1 2 233.302 2.721 20 0 BFADLO CC(C)[N@@H+](CC(F)F)CC1CCC(=O)CC1 ZINC000450499687 202188103 /nfs/dbraw/zinc/18/81/03/202188103.db2.gz LFWOTMGCSDUFSK-UHFFFAOYSA-N 1 2 233.302 2.721 20 0 BFADLO CC[N@H+](CC[C@H](C)O)c1cccc(C)c1C ZINC000450522394 202188714 /nfs/dbraw/zinc/18/87/14/202188714.db2.gz XKHPEJHMIKWZHZ-LBPRGKRZSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@H](C)O)c1cccc(C)c1C ZINC000450522394 202188717 /nfs/dbraw/zinc/18/87/17/202188717.db2.gz XKHPEJHMIKWZHZ-LBPRGKRZSA-N 1 2 221.344 2.901 20 0 BFADLO CCN(c1cc[nH+]c(C)n1)C1CCCCC1 ZINC000360928743 356913469 /nfs/dbraw/zinc/91/34/69/356913469.db2.gz BAQATFQJPWAWPE-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO CC[N@@H+](Cc1ncc(Cl)s1)C[C@@H](C)OC ZINC000361007932 356915084 /nfs/dbraw/zinc/91/50/84/356915084.db2.gz CBMUOFJFTSEUNC-MRVPVSSYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[N@H+](Cc1ncc(Cl)s1)C[C@@H](C)OC ZINC000361007932 356915086 /nfs/dbraw/zinc/91/50/86/356915086.db2.gz CBMUOFJFTSEUNC-MRVPVSSYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)C(F)F ZINC000450565828 202198762 /nfs/dbraw/zinc/19/87/62/202198762.db2.gz OFZDGUGUMVWCOD-VIFPVBQESA-N 1 2 243.301 2.786 20 0 BFADLO CC[C@H](Nc1[nH+]c(C)nc2[nH]ccc21)C(F)F ZINC000450560012 202199895 /nfs/dbraw/zinc/19/98/95/202199895.db2.gz HEFAUASMKJZZLL-QMMMGPOBSA-N 1 2 240.257 2.722 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000361337356 356928617 /nfs/dbraw/zinc/92/86/17/356928617.db2.gz RBPVYZMVHWBANV-NEPJUHHUSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000361337356 356928619 /nfs/dbraw/zinc/92/86/19/356928619.db2.gz RBPVYZMVHWBANV-NEPJUHHUSA-N 1 2 249.345 2.761 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@H](CC)CC2)no1 ZINC000117342878 356979166 /nfs/dbraw/zinc/97/91/66/356979166.db2.gz MTPBLMNXCNIRDG-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@H](CC)CC2)no1 ZINC000117342878 356979171 /nfs/dbraw/zinc/97/91/71/356979171.db2.gz MTPBLMNXCNIRDG-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO C[C@H](Nc1cnn(C(C)(C)C)c1)c1[nH]cc[nH+]1 ZINC000353665945 538755252 /nfs/dbraw/zinc/75/52/52/538755252.db2.gz MOGHSZIOGZUFPW-VIFPVBQESA-N 1 2 233.319 2.534 20 0 BFADLO Cc1cc(N(C)CCc2ccccc2C)nc[nH+]1 ZINC000450596011 202206832 /nfs/dbraw/zinc/20/68/32/202206832.db2.gz WRBSYNNDFIYOBG-UHFFFAOYSA-N 1 2 241.338 2.772 20 0 BFADLO Cc1ccc(C[NH2+]Cc2csc(C)n2)o1 ZINC000040443855 357105648 /nfs/dbraw/zinc/10/56/48/357105648.db2.gz BDAQVXDUJJYVLQ-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO c1[nH]cc(NC2CC(c3ccccc3)C2)[nH+]1 ZINC000390291302 357087768 /nfs/dbraw/zinc/08/77/68/357087768.db2.gz YXNFIPMHMWIQPH-UHFFFAOYSA-N 1 2 213.284 2.768 20 0 BFADLO COc1ccc[nH+]c1NCCCc1nccs1 ZINC000391380108 357129234 /nfs/dbraw/zinc/12/92/34/357129234.db2.gz VZUDYJVYNYEQGB-UHFFFAOYSA-N 1 2 249.339 2.591 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1cccc(F)c1 ZINC000122537870 357182720 /nfs/dbraw/zinc/18/27/20/357182720.db2.gz HVMYZTCVMAUWIJ-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1cccc(F)c1 ZINC000122537870 357182726 /nfs/dbraw/zinc/18/27/26/357182726.db2.gz HVMYZTCVMAUWIJ-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccc(C)cn2)C1 ZINC000628422477 357245157 /nfs/dbraw/zinc/24/51/57/357245157.db2.gz LRYPHYYTMQXHJM-UHFFFAOYSA-N 1 2 248.370 2.779 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)c1cccs1)C(=O)OC ZINC000168330193 134197843 /nfs/dbraw/zinc/19/78/43/134197843.db2.gz GGRQZLAMSPBVCL-VHSXEESVSA-N 1 2 241.356 2.740 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582908069 357432888 /nfs/dbraw/zinc/43/28/88/357432888.db2.gz RQPYEHCJEHWSJW-JHJVBQTASA-N 1 2 249.358 2.624 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000582908071 357433036 /nfs/dbraw/zinc/43/30/36/357433036.db2.gz RQPYEHCJEHWSJW-YNEHKIRRSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@H](NCC(C)(F)F)c1cn2ccccc2[nH+]1 ZINC000582915487 357435460 /nfs/dbraw/zinc/43/54/60/357435460.db2.gz OSYYQTRJWUZSEN-VIFPVBQESA-N 1 2 239.269 2.640 20 0 BFADLO Cc1c[nH+]c(C)nc1NCCCc1cccs1 ZINC000583094804 357479215 /nfs/dbraw/zinc/47/92/15/357479215.db2.gz QHRUIOZJCFIJBM-UHFFFAOYSA-N 1 2 247.367 2.622 20 0 BFADLO CCc1cc(N2C[C@H](C)CC2(C)C)nc(C)[nH+]1 ZINC000359732001 538857161 /nfs/dbraw/zinc/85/71/61/538857161.db2.gz JQXKWTOYTQHWTR-SNVBAGLBSA-N 1 2 233.359 2.972 20 0 BFADLO Cc1c[nH+]cc(NCc2cnccc2C)c1 ZINC000232073311 357648146 /nfs/dbraw/zinc/64/81/46/357648146.db2.gz HNICATQFPDAEST-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO COc1ccc[nH+]c1NCCC=C(C)C ZINC000397715816 357653528 /nfs/dbraw/zinc/65/35/28/357653528.db2.gz SEBSWUTVMBRWMV-UHFFFAOYSA-N 1 2 206.289 2.858 20 0 BFADLO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000191010199 357742253 /nfs/dbraw/zinc/74/22/53/357742253.db2.gz VKLSXPIIGOQXAH-NWDGAFQWSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cnc([C@@H]([NH2+]Cc2cocn2)C2CC2)s1 ZINC000191102154 357750980 /nfs/dbraw/zinc/75/09/80/357750980.db2.gz TXVNSXDGVGTIKD-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO CC[C@@H](C)C[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233876891 357757401 /nfs/dbraw/zinc/75/74/01/357757401.db2.gz QJHHMYLQWCZTAW-HTQZYQBOSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@@H](C)C[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233876891 357757406 /nfs/dbraw/zinc/75/74/06/357757406.db2.gz QJHHMYLQWCZTAW-HTQZYQBOSA-N 1 2 242.754 2.949 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(F)cc1F ZINC000192147345 357824091 /nfs/dbraw/zinc/82/40/91/357824091.db2.gz DQMCDMKEJRUPTI-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cc1ncc(C[NH2+]Cc2cccc(F)c2F)o1 ZINC000397907589 357798432 /nfs/dbraw/zinc/79/84/32/357798432.db2.gz ZSYRIPQCQRCJBR-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)cc1 ZINC000085182987 134225030 /nfs/dbraw/zinc/22/50/30/134225030.db2.gz WNRSSCUVPQXTIM-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO COc1cc(C)ccc1[NH2+]C1CCC(O)CC1 ZINC000234942212 357836526 /nfs/dbraw/zinc/83/65/26/357836526.db2.gz MMTHANNGEAEFRM-UHFFFAOYSA-N 1 2 235.327 2.719 20 0 BFADLO C[C@H]1CCC[C@H](CC[N@H+](CCO)CC(F)F)C1 ZINC000193397852 357880961 /nfs/dbraw/zinc/88/09/61/357880961.db2.gz MMBOUNZVWCTEDG-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@H]1CCC[C@H](CC[N@@H+](CCO)CC(F)F)C1 ZINC000193397852 357880963 /nfs/dbraw/zinc/88/09/63/357880963.db2.gz MMBOUNZVWCTEDG-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO Cn1nccc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929882 357898835 /nfs/dbraw/zinc/89/88/35/357898835.db2.gz RLUHWMLUONPXTD-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1nccc1C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639929882 357898837 /nfs/dbraw/zinc/89/88/37/357898837.db2.gz RLUHWMLUONPXTD-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccon1 ZINC000584505341 358005138 /nfs/dbraw/zinc/00/51/38/358005138.db2.gz HQQFORFDCGFCDX-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cnc(C)s2)co1 ZINC000639997356 358035304 /nfs/dbraw/zinc/03/53/04/358035304.db2.gz YNRCKRUJIHBUMY-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037107960 358065259 /nfs/dbraw/zinc/06/52/59/358065259.db2.gz PGLLFOYFTJPJQO-LLVKDONJSA-N 1 2 245.326 2.659 20 0 BFADLO CC[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000218082071 134251779 /nfs/dbraw/zinc/25/17/79/134251779.db2.gz NBAPXYFXUTXKCB-GHMZBOCLSA-N 1 2 249.358 2.803 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000037978662 358101277 /nfs/dbraw/zinc/10/12/77/358101277.db2.gz PFULTWAQXBNLGO-AWEZNQCLSA-N 1 2 249.354 2.591 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000680335237 491122382 /nfs/dbraw/zinc/12/23/82/491122382.db2.gz SHRDWMYDSHQEJC-GXSJLCMTSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000680335237 491122384 /nfs/dbraw/zinc/12/23/84/491122384.db2.gz SHRDWMYDSHQEJC-GXSJLCMTSA-N 1 2 242.363 2.885 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)co1 ZINC000640069189 358154851 /nfs/dbraw/zinc/15/48/51/358154851.db2.gz TXRDAUMJPFODAJ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)co1 ZINC000640069189 358154855 /nfs/dbraw/zinc/15/48/55/358154855.db2.gz TXRDAUMJPFODAJ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO COc1cc(CNc2c[nH]c[nH+]2)ccc1SC ZINC000584812465 358184308 /nfs/dbraw/zinc/18/43/08/358184308.db2.gz MOUAADBEXVIXIS-UHFFFAOYSA-N 1 2 249.339 2.752 20 0 BFADLO CCC[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000302130640 535410806 /nfs/dbraw/zinc/41/08/06/535410806.db2.gz KBRDUACLFHVKQX-GFCCVEGCSA-N 1 2 219.332 2.944 20 0 BFADLO Cc1cnc(NCCCc2[nH+]cccc2C)s1 ZINC000450724677 202247206 /nfs/dbraw/zinc/24/72/06/202247206.db2.gz OCPSYYOYTHEDGL-UHFFFAOYSA-N 1 2 247.367 2.622 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000450723917 202247423 /nfs/dbraw/zinc/24/74/23/202247423.db2.gz KUISNHUHHMDIKD-NEPJUHHUSA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000450723917 202247427 /nfs/dbraw/zinc/24/74/27/202247427.db2.gz KUISNHUHHMDIKD-NEPJUHHUSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)no1 ZINC000044692226 358392361 /nfs/dbraw/zinc/39/23/61/358392361.db2.gz MPVRDKUCNZHBFF-TVQRCGJNSA-N 1 2 246.310 2.989 20 0 BFADLO CC[C@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351225575 366454251 /nfs/dbraw/zinc/45/42/51/366454251.db2.gz DCKQVSYQZAHNIZ-VIFPVBQESA-N 1 2 231.299 2.877 20 0 BFADLO CC(C)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048809732 358656698 /nfs/dbraw/zinc/65/66/98/358656698.db2.gz QKDWVQABNFYOQF-UHFFFAOYSA-N 1 2 247.273 2.606 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000049247818 358677900 /nfs/dbraw/zinc/67/79/00/358677900.db2.gz WFDGMPJPDDFOSG-QMMMGPOBSA-N 1 2 231.299 2.856 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(C)ccc1F ZINC000051921379 358767291 /nfs/dbraw/zinc/76/72/91/358767291.db2.gz QACNYZQCFVNJRZ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCCC[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000041156055 358741958 /nfs/dbraw/zinc/74/19/58/358741958.db2.gz YKBIQUQKFOGJGU-CYBMUJFWSA-N 1 2 235.327 2.508 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)c1ccc(C)cc1 ZINC000134945923 358811552 /nfs/dbraw/zinc/81/15/52/358811552.db2.gz NQCIZPSCKVNHPK-KGLIPLIRSA-N 1 2 249.354 2.987 20 0 BFADLO CC[C@H](Nc1cc(C(C)C)ncn1)c1[nH]cc[nH+]1 ZINC000139770806 358913445 /nfs/dbraw/zinc/91/34/45/358913445.db2.gz KSLSLGXZTJKCJH-JTQLQIEISA-N 1 2 245.330 2.886 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCC[C@H]2CC)no1 ZINC000054982732 358879254 /nfs/dbraw/zinc/87/92/54/358879254.db2.gz ZOMOIALZZOXDPA-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCCC[C@H]2CC)no1 ZINC000054982732 358879260 /nfs/dbraw/zinc/87/92/60/358879260.db2.gz ZOMOIALZZOXDPA-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO Cc1nc(NCc2ccc(F)c(F)c2)cc[nH+]1 ZINC000054936318 358879725 /nfs/dbraw/zinc/87/97/25/358879725.db2.gz NGIYBDHQDPAYLX-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1ccc2nc(C[NH2+]Cc3ccco3)cn2c1 ZINC000061803832 358936632 /nfs/dbraw/zinc/93/66/32/358936632.db2.gz PICWHXYQZLCMOX-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO Cc1ccc2[nH+]c(CNCc3ccco3)cn2c1 ZINC000061803832 358936636 /nfs/dbraw/zinc/93/66/36/358936636.db2.gz PICWHXYQZLCMOX-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO C[C@@H](CCCO)Nc1cc2ccccc2c[nH+]1 ZINC000631159104 358939546 /nfs/dbraw/zinc/93/95/46/358939546.db2.gz AFDHFKFWIQTBNK-NSHDSACASA-N 1 2 230.311 2.808 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)o1 ZINC000631510382 359086169 /nfs/dbraw/zinc/08/61/69/359086169.db2.gz JKKDWSGTHWONDM-UHFFFAOYSA-N 1 2 245.326 2.710 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cnccn1 ZINC000070479714 359057620 /nfs/dbraw/zinc/05/76/20/359057620.db2.gz VUNOYBMRLPFRQB-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nccs1 ZINC000070717634 359063431 /nfs/dbraw/zinc/06/34/31/359063431.db2.gz NRDMZGWIMSKFGM-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO CC(C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829730 359130466 /nfs/dbraw/zinc/13/04/66/359130466.db2.gz ILENFGUOKAMDHM-UHFFFAOYSA-N 1 2 229.283 2.671 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000248328765 359263179 /nfs/dbraw/zinc/26/31/79/359263179.db2.gz CXCSVNAAXQDUCO-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@@H](C)[C@H]2C)no1 ZINC000248328765 359263181 /nfs/dbraw/zinc/26/31/81/359263181.db2.gz CXCSVNAAXQDUCO-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000152523877 359345567 /nfs/dbraw/zinc/34/55/67/359345567.db2.gz SNXVAQVMRGKRHZ-CYBMUJFWSA-N 1 2 249.354 2.672 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000035061610 359648967 /nfs/dbraw/zinc/64/89/67/359648967.db2.gz BBFMCUJYLZCINN-AWEZNQCLSA-N 1 2 249.354 2.591 20 0 BFADLO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F ZINC000403669802 359701936 /nfs/dbraw/zinc/70/19/36/359701936.db2.gz NMYFGSWWJFLAMI-QCLAVDOMSA-N 1 2 221.266 2.963 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2cnns2)c1 ZINC000450852930 202289811 /nfs/dbraw/zinc/28/98/11/202289811.db2.gz AKHUZRNUQKRJSD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2cnns2)c1 ZINC000450852930 202289813 /nfs/dbraw/zinc/28/98/13/202289813.db2.gz AKHUZRNUQKRJSD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(/C=C/C(=O)Nc2cc[nH+]cc2C)o1 ZINC000107285761 359737859 /nfs/dbraw/zinc/73/78/59/359737859.db2.gz NPVGUVNLVBUTNX-AATRIKPKSA-N 1 2 242.278 2.943 20 0 BFADLO CCc1nc(C(C)(C)[NH2+]CC2=CCCCC2)no1 ZINC000450916012 202308708 /nfs/dbraw/zinc/30/87/08/202308708.db2.gz SOOFFADZAFWGMT-UHFFFAOYSA-N 1 2 249.358 2.957 20 0 BFADLO C[C@H](Nc1cccc(F)c1)c1[nH]cc[nH+]1 ZINC000309088616 491144397 /nfs/dbraw/zinc/14/43/97/491144397.db2.gz AHJQHIBYJYPOKR-QMMMGPOBSA-N 1 2 205.236 2.722 20 0 BFADLO C[C@]12CN(c3cccc[nH+]3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000450932287 202311470 /nfs/dbraw/zinc/31/14/70/202311470.db2.gz NXGPXSFRPDAIQA-UKTARXLSSA-N 1 2 228.339 2.954 20 0 BFADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000451195405 202375179 /nfs/dbraw/zinc/37/51/79/202375179.db2.gz LNFGMYREJOMASJ-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(Cl)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000451195405 202375180 /nfs/dbraw/zinc/37/51/80/202375180.db2.gz LNFGMYREJOMASJ-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO C/C=C(\C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000578606776 366606298 /nfs/dbraw/zinc/60/62/98/366606298.db2.gz LOFRBXATESZRBV-ONNFQVAWSA-N 1 2 243.310 2.981 20 0 BFADLO Cc1cc([NH2+]C[C@H](O)C(C)(C)C)ccc1O ZINC000578741888 366635373 /nfs/dbraw/zinc/63/53/73/366635373.db2.gz LAQXJOYXGBRUPQ-LBPRGKRZSA-N 1 2 223.316 2.520 20 0 BFADLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC000578894030 366669741 /nfs/dbraw/zinc/66/97/41/366669741.db2.gz JUSBALOHGSODND-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc2ncccc21 ZINC000090153440 360058899 /nfs/dbraw/zinc/05/88/99/360058899.db2.gz VOYYPFPHFFWTCD-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(F)c(F)c1 ZINC000090169794 360060571 /nfs/dbraw/zinc/06/05/71/360060571.db2.gz WFMTWAKNPPYLMD-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO Clc1ncc(C[N@H+]2CC=CCC2)s1 ZINC000306464103 360076563 /nfs/dbraw/zinc/07/65/63/360076563.db2.gz IUELLVPCULNYLD-UHFFFAOYSA-N 1 2 214.721 2.558 20 0 BFADLO Clc1ncc(C[N@@H+]2CC=CCC2)s1 ZINC000306464103 360076566 /nfs/dbraw/zinc/07/65/66/360076566.db2.gz IUELLVPCULNYLD-UHFFFAOYSA-N 1 2 214.721 2.558 20 0 BFADLO COc1ccc(CNc2ccc[nH+]c2C)cc1O ZINC000091495604 360117480 /nfs/dbraw/zinc/11/74/80/360117480.db2.gz IXGRZRLDFHDBFR-UHFFFAOYSA-N 1 2 244.294 2.716 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(C)cc(F)c1 ZINC000091510747 360118619 /nfs/dbraw/zinc/11/86/19/360118619.db2.gz IFKNPBDXTBVJTG-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000093417702 360241285 /nfs/dbraw/zinc/24/12/85/360241285.db2.gz NDUVBHCQCAOSTD-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000093417702 360241290 /nfs/dbraw/zinc/24/12/90/360241290.db2.gz NDUVBHCQCAOSTD-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO CCc1cc(NC[C@@H]2CCCSC2)nc[nH+]1 ZINC000309439250 491148233 /nfs/dbraw/zinc/14/82/33/491148233.db2.gz IBTGIFJFNNYWSU-JTQLQIEISA-N 1 2 237.372 2.594 20 0 BFADLO Clc1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)CC2 ZINC000093838240 360281550 /nfs/dbraw/zinc/28/15/50/360281550.db2.gz FDGRWPZTNPVCJL-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO c1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)[nH+]c1 ZINC000631523699 360560978 /nfs/dbraw/zinc/56/09/78/360560978.db2.gz OBXZHNQOCHAWDN-GXTWGEPZSA-N 1 2 232.327 2.841 20 0 BFADLO CC[C@H]([NH2+]Cc1cn(C(C)C)nc1C)C(F)F ZINC000449364578 200666954 /nfs/dbraw/zinc/66/69/54/200666954.db2.gz SLNVZEXTLMWHTE-NSHDSACASA-N 1 2 245.317 2.906 20 0 BFADLO CCCCCn1c2ccccc2[nH+]c1NCCO ZINC000006856566 360998077 /nfs/dbraw/zinc/99/80/77/360998077.db2.gz RMTXWBIZKYGYEU-UHFFFAOYSA-N 1 2 247.342 2.631 20 0 BFADLO C[C@H]1C[C@@H]1COc1cccc(-n2cc[nH+]c2)c1 ZINC000629357900 361002511 /nfs/dbraw/zinc/00/25/11/361002511.db2.gz JFLFNSCEBLJQSO-NWDGAFQWSA-N 1 2 228.295 2.907 20 0 BFADLO C[NH2+]c1ccc(NCc2c(C)noc2C)cc1 ZINC000629389319 361037061 /nfs/dbraw/zinc/03/70/61/361037061.db2.gz JMTRMJDRAZYOMA-UHFFFAOYSA-N 1 2 231.299 2.945 20 0 BFADLO C/C=C/C[C@@H](CO)Nc1cc(CCCC)[nH+]cn1 ZINC000631210559 361081904 /nfs/dbraw/zinc/08/19/04/361081904.db2.gz IZOHARMBBIUPSU-BPJJOFIESA-N 1 2 249.358 2.558 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(C)ccn1 ZINC000631578806 361129718 /nfs/dbraw/zinc/12/97/18/361129718.db2.gz ASYDVJUWIURONQ-CYBMUJFWSA-N 1 2 244.342 2.744 20 0 BFADLO Cc1ccncc1C[NH2+][C@@H]1CCCC1(F)F ZINC000309716649 491154851 /nfs/dbraw/zinc/15/48/51/491154851.db2.gz UBRRVUDZYVDDCY-LLVKDONJSA-N 1 2 226.270 2.667 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000424652998 200947430 /nfs/dbraw/zinc/94/74/30/200947430.db2.gz GCOMGOBMAQFYGU-GXFFZTMASA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000579069103 366703798 /nfs/dbraw/zinc/70/37/98/366703798.db2.gz CTTKXYPZUHUVMR-RTXFEEFZSA-N 1 2 248.374 2.814 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@H](F)C1 ZINC000579127701 366718814 /nfs/dbraw/zinc/71/88/14/366718814.db2.gz JCJVJZRQSUFTCZ-WDEREUQCSA-N 1 2 223.295 2.786 20 0 BFADLO C[C@@H]1CC[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000428660730 201032539 /nfs/dbraw/zinc/03/25/39/201032539.db2.gz OBQUFGTULQUHGZ-PWSUYJOCSA-N 1 2 231.343 2.979 20 0 BFADLO c1cc(N[C@@H]2CC23CCCC3)nc(C2CC2)[nH+]1 ZINC000428669654 201033681 /nfs/dbraw/zinc/03/36/81/201033681.db2.gz QEKQONWDBXUHAH-LLVKDONJSA-N 1 2 229.327 2.521 20 0 BFADLO CC(C)c1nc(N[C@@H]2CC23CCCC3)cc[nH+]1 ZINC000428696695 201036191 /nfs/dbraw/zinc/03/61/91/201036191.db2.gz ZLBSRCJPHYXIJX-LLVKDONJSA-N 1 2 231.343 2.767 20 0 BFADLO Cc1cscc1C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000309798176 491156744 /nfs/dbraw/zinc/15/67/44/491156744.db2.gz QPXPNFPORYMAMW-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(F)cc1 ZINC000309814574 491157191 /nfs/dbraw/zinc/15/71/91/491157191.db2.gz UZUGFBHUPMFIPG-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(F)cc1 ZINC000309814573 491157202 /nfs/dbraw/zinc/15/72/02/491157202.db2.gz UZUGFBHUPMFIPG-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1ccoc1C[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000429360433 201104269 /nfs/dbraw/zinc/10/42/69/201104269.db2.gz HMESAOFYZSIRKM-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccoc1C[N@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000429360433 201104272 /nfs/dbraw/zinc/10/42/72/201104272.db2.gz HMESAOFYZSIRKM-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562319 201113781 /nfs/dbraw/zinc/11/37/81/201113781.db2.gz VQQGIKKMMSJWKV-KOLCDFICSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562319 201113785 /nfs/dbraw/zinc/11/37/85/201113785.db2.gz VQQGIKKMMSJWKV-KOLCDFICSA-N 1 2 235.331 2.567 20 0 BFADLO COc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000309930188 491158330 /nfs/dbraw/zinc/15/83/30/491158330.db2.gz XPNGDDAMBGDZOZ-UHFFFAOYSA-N 1 2 229.270 2.829 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC=CCC2)[nH+]1 ZINC000433797333 201193211 /nfs/dbraw/zinc/19/32/11/201193211.db2.gz VOBMUZBVUQSDEV-SNVBAGLBSA-N 1 2 228.299 2.787 20 0 BFADLO CCCCN(CC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433782856 201194144 /nfs/dbraw/zinc/19/41/44/201194144.db2.gz LGCPKBFNKCNREQ-UHFFFAOYSA-N 1 2 232.331 2.893 20 0 BFADLO c1cc(-c2ccc(N3CCSCC3)[nH+]c2)co1 ZINC000629714424 361651316 /nfs/dbraw/zinc/65/13/16/361651316.db2.gz GJCMDWKEQXKDBI-UHFFFAOYSA-N 1 2 246.335 2.895 20 0 BFADLO Cc1oncc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629713889 361654897 /nfs/dbraw/zinc/65/48/97/361654897.db2.gz WJRFYTDTMQTKMY-UHFFFAOYSA-N 1 2 217.272 2.865 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000436470795 201329310 /nfs/dbraw/zinc/32/93/10/201329310.db2.gz SSDWXJVGCVOOLC-WPRPVWTQSA-N 1 2 230.315 2.867 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000579484703 366827829 /nfs/dbraw/zinc/82/78/29/366827829.db2.gz VAQKPPMNWSCGMJ-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000579484703 366827831 /nfs/dbraw/zinc/82/78/31/366827831.db2.gz VAQKPPMNWSCGMJ-LLVKDONJSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000579484704 366827851 /nfs/dbraw/zinc/82/78/51/366827851.db2.gz VAQKPPMNWSCGMJ-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000579484704 366827853 /nfs/dbraw/zinc/82/78/53/366827853.db2.gz VAQKPPMNWSCGMJ-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO CC1=CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000436275629 201318227 /nfs/dbraw/zinc/31/82/27/201318227.db2.gz ZTYYWQQRJYMKFZ-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC1=CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000436275629 201318230 /nfs/dbraw/zinc/31/82/30/201318230.db2.gz ZTYYWQQRJYMKFZ-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC[C@@H](C)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630388114 364103052 /nfs/dbraw/zinc/10/30/52/364103052.db2.gz DIUPSQFBHBYZQX-SNVBAGLBSA-N 1 2 243.310 2.605 20 0 BFADLO CC[C@H](C)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000630388113 364103174 /nfs/dbraw/zinc/10/31/74/364103174.db2.gz DIUPSQFBHBYZQX-JTQLQIEISA-N 1 2 243.310 2.605 20 0 BFADLO Cc1cccc(C)c1CNc1cccc(CO)[nH+]1 ZINC000432741867 192955006 /nfs/dbraw/zinc/95/50/06/192955006.db2.gz OXAUSWJFDZDCCX-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CCC[C@H]1C[C@H]1Nc1nc(C)[nH+]cc1C ZINC000579494890 366833150 /nfs/dbraw/zinc/83/31/50/366833150.db2.gz DYSXAZGLSCHRGE-WDEREUQCSA-N 1 2 205.305 2.694 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cscn1 ZINC000631754901 364665433 /nfs/dbraw/zinc/66/54/33/364665433.db2.gz TUOSYQFRETVQMP-RRKCRQDMSA-N 1 2 236.262 2.745 20 0 BFADLO C[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000566472585 364716394 /nfs/dbraw/zinc/71/63/94/364716394.db2.gz OSUBEBDHFASPTF-QJPTWQEYSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000573471689 364841831 /nfs/dbraw/zinc/84/18/31/364841831.db2.gz HWDTYTOIWIQZDJ-GHMZBOCLSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncccn1)CC2 ZINC000574340088 365042466 /nfs/dbraw/zinc/04/24/66/365042466.db2.gz UEVBIATXWOFDGE-CQSZACIVSA-N 1 2 239.322 2.562 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@H](F)C2)cn1 ZINC000574406426 365054897 /nfs/dbraw/zinc/05/48/97/365054897.db2.gz OUZCDWXLVRDONT-LBPRGKRZSA-N 1 2 222.307 2.578 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@H](F)C2)cn1 ZINC000574406426 365054904 /nfs/dbraw/zinc/05/49/04/365054904.db2.gz OUZCDWXLVRDONT-LBPRGKRZSA-N 1 2 222.307 2.578 20 0 BFADLO COc1ccc[nH+]c1NCc1ccccc1F ZINC000169028938 365059172 /nfs/dbraw/zinc/05/91/72/365059172.db2.gz GSQBFAVAINLJFC-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO c1n[nH]c([C@@H]([NH2+][C@H]2CC23CC3)C2CCCCC2)n1 ZINC000574444369 365063445 /nfs/dbraw/zinc/06/34/45/365063445.db2.gz PWXLDKHFONUUKP-RYUDHWBXSA-N 1 2 246.358 2.568 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C(C)(C)C)n1 ZINC000574764898 365140361 /nfs/dbraw/zinc/14/03/61/365140361.db2.gz FOSUNXWXWXGOGM-UHFFFAOYSA-N 1 2 245.326 2.856 20 0 BFADLO CC[C@@]1(C)C[N@H+](Cc2ccc(Cl)o2)CCO1 ZINC000443850478 193030741 /nfs/dbraw/zinc/03/07/41/193030741.db2.gz GDRMDNCWTPKAGE-LBPRGKRZSA-N 1 2 243.734 2.934 20 0 BFADLO CC[C@@]1(C)C[N@@H+](Cc2ccc(Cl)o2)CCO1 ZINC000443850478 193030743 /nfs/dbraw/zinc/03/07/43/193030743.db2.gz GDRMDNCWTPKAGE-LBPRGKRZSA-N 1 2 243.734 2.934 20 0 BFADLO CC(C)C[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000443884777 193032053 /nfs/dbraw/zinc/03/20/53/193032053.db2.gz YSZIBRQWTDXSMK-NSHDSACASA-N 1 2 229.327 2.898 20 0 BFADLO CC(C)[C@H](C)CNc1cc[nH+]c2ccncc12 ZINC000444081215 193034864 /nfs/dbraw/zinc/03/48/64/193034864.db2.gz CFWATBWNJPZZNR-LLVKDONJSA-N 1 2 229.327 2.756 20 0 BFADLO CN(c1[nH+]c2cccc(F)c2n1C)C1CCC1 ZINC000443516832 193024005 /nfs/dbraw/zinc/02/40/05/193024005.db2.gz HAOZODLHVFQXHZ-UHFFFAOYSA-N 1 2 233.290 2.701 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000172865573 365383623 /nfs/dbraw/zinc/38/36/23/365383623.db2.gz JOQRNUFUUVPQBI-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000172865573 365383628 /nfs/dbraw/zinc/38/36/28/365383628.db2.gz JOQRNUFUUVPQBI-GHMZBOCLSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cccc(CCSC[C@@H]2CCCO2)[nH+]1 ZINC000575867381 365395086 /nfs/dbraw/zinc/39/50/86/365395086.db2.gz NMXFXIVAIAUXKQ-ZDUSSCGKSA-N 1 2 237.368 2.845 20 0 BFADLO CC(C)Oc1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000180055723 541506674 /nfs/dbraw/zinc/50/66/74/541506674.db2.gz HRKFUGFQDDKXOM-UHFFFAOYSA-N 1 2 246.310 2.914 20 0 BFADLO C[C@H]1CN(CCCn2cc[nH+]c2)c2ccccc21 ZINC000183160978 366981328 /nfs/dbraw/zinc/98/13/28/366981328.db2.gz DVBZGULYNQDFLT-ZDUSSCGKSA-N 1 2 241.338 2.897 20 0 BFADLO C[C@@H](NC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000579858940 367054845 /nfs/dbraw/zinc/05/48/45/367054845.db2.gz BKDBOKNSNFZPGA-KXNHARMFSA-N 1 2 249.358 2.659 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@H]1C=CCCC1)[C@H](C)CC ZINC000183580725 367031418 /nfs/dbraw/zinc/03/14/18/367031418.db2.gz AMKAJJNQQQHIQS-FRRDWIJNSA-N 1 2 239.359 2.663 20 0 BFADLO CCCn1nc(C)c(C[NH2+]CC(C)(F)F)c1C ZINC000579983894 367116652 /nfs/dbraw/zinc/11/66/52/367116652.db2.gz KDOYRRROZHUTGL-UHFFFAOYSA-N 1 2 245.317 2.655 20 0 BFADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)OCO2 ZINC000580966773 367221318 /nfs/dbraw/zinc/22/13/18/367221318.db2.gz MJOGIKQBSYUSCF-QMMMGPOBSA-N 1 2 243.253 2.721 20 0 BFADLO Cc1ccc(NC(=O)NC[C@H]2CC23CC3)c(C)[nH+]1 ZINC000580882048 367196475 /nfs/dbraw/zinc/19/64/75/367196475.db2.gz NZIPJNRPNNTMKZ-LLVKDONJSA-N 1 2 245.326 2.620 20 0 BFADLO C[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1cscn1 ZINC000580903698 367203488 /nfs/dbraw/zinc/20/34/88/367203488.db2.gz WNVJUNXKNNYXNP-KXUCPTDWSA-N 1 2 248.355 2.696 20 0 BFADLO CC[C@H](c1ccccc1)[N@H+](C)Cc1noc(C)n1 ZINC000194972412 367326936 /nfs/dbraw/zinc/32/69/36/367326936.db2.gz DGTMBVPPBXIHAU-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1noc(C)n1 ZINC000194972412 367326940 /nfs/dbraw/zinc/32/69/40/367326940.db2.gz DGTMBVPPBXIHAU-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1nc(N[C@@H](C)[C@@H]2CC3CCC2CC3)cc[nH+]1 ZINC000382136435 367489671 /nfs/dbraw/zinc/48/96/71/367489671.db2.gz NDMTVDLDOMRLIV-RSUZKEPVSA-N 1 2 245.370 2.834 20 0 BFADLO Cc1cc(C[NH2+]CC(C)(F)F)ccc1F ZINC000382396978 367515031 /nfs/dbraw/zinc/51/50/31/367515031.db2.gz OGBYAOPLOHPFOM-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO CO[C@@H](C)CN(C)c1[nH+]ccc2cc(F)ccc21 ZINC000581485426 367516130 /nfs/dbraw/zinc/51/61/30/367516130.db2.gz SVDBJSHWEMVFBJ-JTQLQIEISA-N 1 2 248.301 2.845 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CCc2ccccc21 ZINC000382424646 367520458 /nfs/dbraw/zinc/52/04/58/367520458.db2.gz XSOAULDRCMIHNY-NSHDSACASA-N 1 2 211.255 2.919 20 0 BFADLO Cc1ncsc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956454 368150363 /nfs/dbraw/zinc/15/03/63/368150363.db2.gz SDBQOIZALSXFIK-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO c1ccc(NCCCCNc2cccc[nH+]2)nc1 ZINC000034594993 368265600 /nfs/dbraw/zinc/26/56/00/368265600.db2.gz VFUMVGXNFMSRND-UHFFFAOYSA-N 1 2 242.326 2.781 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000042473668 368310837 /nfs/dbraw/zinc/31/08/37/368310837.db2.gz LEYFVTRNNUAUSH-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2ccccc2)n1 ZINC000042473668 368310839 /nfs/dbraw/zinc/31/08/39/368310839.db2.gz LEYFVTRNNUAUSH-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000045809861 368431664 /nfs/dbraw/zinc/43/16/64/368431664.db2.gz RDEHRINXQXCPJG-JTQLQIEISA-N 1 2 237.347 2.599 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000045809861 368431666 /nfs/dbraw/zinc/43/16/66/368431666.db2.gz RDEHRINXQXCPJG-JTQLQIEISA-N 1 2 237.347 2.599 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccs2)oc1C ZINC000064030973 368600591 /nfs/dbraw/zinc/60/05/91/368600591.db2.gz PPJCXWDSKMOHAG-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccs2)oc1C ZINC000064030973 368600594 /nfs/dbraw/zinc/60/05/94/368600594.db2.gz PPJCXWDSKMOHAG-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1ccccc1Cl ZINC000064247758 368601538 /nfs/dbraw/zinc/60/15/38/368601538.db2.gz WBUXQYQDDZEAIY-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1ccccc1Cl ZINC000064247758 368601543 /nfs/dbraw/zinc/60/15/43/368601543.db2.gz WBUXQYQDDZEAIY-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CCc1cc(NC2CC2)nc(-c2ccncc2)[nH+]1 ZINC000068621785 368732416 /nfs/dbraw/zinc/73/24/16/368732416.db2.gz JZEIHWNBJZCURF-UHFFFAOYSA-N 1 2 240.310 2.675 20 0 BFADLO c1cc(C[NH2+]Cc2csc(C3CC3)n2)co1 ZINC000069877589 368759510 /nfs/dbraw/zinc/75/95/10/368759510.db2.gz OMNUFGSLNDJJLL-UHFFFAOYSA-N 1 2 234.324 2.903 20 0 BFADLO Cc1cc(NC(=O)C2CC(C(C)(C)C)C2)cc[nH+]1 ZINC000457566426 203076025 /nfs/dbraw/zinc/07/60/25/203076025.db2.gz OEDDGBANJPZFBN-UHFFFAOYSA-N 1 2 246.354 2.823 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H](C)C2CCC2)c[nH+]1 ZINC000457855945 203113887 /nfs/dbraw/zinc/11/38/87/203113887.db2.gz YMDMGFCUFMGZBX-LBPRGKRZSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cccn2c(NC(=O)CCC3CC3)c[nH+]c12 ZINC000619012518 369257553 /nfs/dbraw/zinc/25/75/53/369257553.db2.gz CNSQXGMUFHGEDP-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CCC1(C(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000619014743 369258654 /nfs/dbraw/zinc/25/86/54/369258654.db2.gz SRBYMVYYGCGYNV-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC[N@H+](CCO)Cc1c(F)cc(C)cc1Cl ZINC000459296013 203250856 /nfs/dbraw/zinc/25/08/56/203250856.db2.gz MKRGXBKJPFXOPF-UHFFFAOYSA-N 1 2 245.725 2.602 20 0 BFADLO CC[N@@H+](CCO)Cc1c(F)cc(C)cc1Cl ZINC000459296013 203250858 /nfs/dbraw/zinc/25/08/58/203250858.db2.gz MKRGXBKJPFXOPF-UHFFFAOYSA-N 1 2 245.725 2.602 20 0 BFADLO COC1C[NH+](Cc2cccc(OCC(C)C)c2)C1 ZINC000459582844 203305997 /nfs/dbraw/zinc/30/59/97/203305997.db2.gz NRSONHFFXNPWPW-UHFFFAOYSA-N 1 2 249.354 2.552 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(F)cc1 ZINC000623680339 369389111 /nfs/dbraw/zinc/38/91/11/369389111.db2.gz IQMYWECLUSZMEJ-UHFFFAOYSA-N 1 2 217.234 2.961 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccco2)C1 ZINC000459591897 203310199 /nfs/dbraw/zinc/31/01/99/203310199.db2.gz LPOKKUHMILGTQD-UHFFFAOYSA-N 1 2 223.316 2.671 20 0 BFADLO Cc1c[nH+]c(CN2CC(C3CCCCC3)C2)n1C ZINC000459598354 203311544 /nfs/dbraw/zinc/31/15/44/203311544.db2.gz WUAXPEQFMDZWHZ-UHFFFAOYSA-N 1 2 247.386 2.741 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000459598735 203312548 /nfs/dbraw/zinc/31/25/48/203312548.db2.gz ZPMSSCQFILJOIQ-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO Cc1ccc(C[NH+]2CC(OCC(F)F)C2)s1 ZINC000459599749 203312974 /nfs/dbraw/zinc/31/29/74/203312974.db2.gz ZTJOBGJGCOLXBI-UHFFFAOYSA-N 1 2 247.310 2.522 20 0 BFADLO Fc1cccc2c1C[N@H+](CCOCC1CC1)C2 ZINC000459727000 203341553 /nfs/dbraw/zinc/34/15/53/203341553.db2.gz GXDIZZFWFHMHHC-UHFFFAOYSA-N 1 2 235.302 2.568 20 0 BFADLO Fc1cccc2c1C[N@@H+](CCOCC1CC1)C2 ZINC000459727000 203341556 /nfs/dbraw/zinc/34/15/56/203341556.db2.gz GXDIZZFWFHMHHC-UHFFFAOYSA-N 1 2 235.302 2.568 20 0 BFADLO c1cc2c(nc(C3CC3)[nH+]c2N2CCCCC2)[nH]1 ZINC000631029870 370956314 /nfs/dbraw/zinc/95/63/14/370956314.db2.gz JKTIVJKAQCKHJW-UHFFFAOYSA-N 1 2 242.326 2.826 20 0 BFADLO CCCCOCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459742414 203352064 /nfs/dbraw/zinc/35/20/64/203352064.db2.gz WEBPQZMDPLDRDY-UHFFFAOYSA-N 1 2 237.318 2.958 20 0 BFADLO CCCCOCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459742414 203352066 /nfs/dbraw/zinc/35/20/66/203352066.db2.gz WEBPQZMDPLDRDY-UHFFFAOYSA-N 1 2 237.318 2.958 20 0 BFADLO CCc1cnc(C[NH2+]Cc2ccc(C)o2)s1 ZINC000164909818 203381830 /nfs/dbraw/zinc/38/18/30/203381830.db2.gz GAKJSVYNJWFUML-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO CC(C)(C)CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000074904708 370057745 /nfs/dbraw/zinc/05/77/45/370057745.db2.gz IUVXZEIVEVPYHK-UHFFFAOYSA-N 1 2 246.314 2.502 20 0 BFADLO CCc1cc(N[C@H]2C[C@](C)(OC)C2(C)C)nc[nH+]1 ZINC000075064714 370072077 /nfs/dbraw/zinc/07/20/77/370072077.db2.gz YPWWJGRNUOJQGD-FZMZJTMJSA-N 1 2 249.358 2.655 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)o1 ZINC000621283130 370213484 /nfs/dbraw/zinc/21/34/84/370213484.db2.gz FKDIHQYKPGGJQF-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2cccc(F)c2)o1 ZINC000621283130 370213489 /nfs/dbraw/zinc/21/34/89/370213489.db2.gz FKDIHQYKPGGJQF-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2ccc(C)cc21 ZINC000076293059 370254512 /nfs/dbraw/zinc/25/45/12/370254512.db2.gz HLZCVRNCILTNCO-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO CCOc1cncc(CNc2ccc(C)[nH+]c2)c1 ZINC000621341477 370274839 /nfs/dbraw/zinc/27/48/39/370274839.db2.gz PSNNKCVFIFTDTP-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1cc(NCC2CC(C)C2)nc(C2CC2)[nH+]1 ZINC000621353378 370288497 /nfs/dbraw/zinc/28/84/97/370288497.db2.gz SIZBBSQHNLXSIB-UHFFFAOYSA-N 1 2 231.343 2.542 20 0 BFADLO CC1CC(CNc2cc(NC3CC3)nc[nH+]2)C1 ZINC000621354554 370290579 /nfs/dbraw/zinc/29/05/79/370290579.db2.gz NHLQSCHHJFLDBL-UHFFFAOYSA-N 1 2 232.331 2.509 20 0 BFADLO CC1CC(CNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000621354554 370290581 /nfs/dbraw/zinc/29/05/81/370290581.db2.gz NHLQSCHHJFLDBL-UHFFFAOYSA-N 1 2 232.331 2.509 20 0 BFADLO Cc1nc(N2CC(Cc3ccsc3)C2)cc[nH+]1 ZINC000621359473 370293311 /nfs/dbraw/zinc/29/33/11/370293311.db2.gz JLAHBEBJMMKJES-UHFFFAOYSA-N 1 2 245.351 2.525 20 0 BFADLO CC[C@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000568275995 326339955 /nfs/dbraw/zinc/33/99/55/326339955.db2.gz CULKRGFVZPUIHW-NSHDSACASA-N 1 2 233.340 2.779 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2cnc(C)o2)n1 ZINC000623998810 371227233 /nfs/dbraw/zinc/22/72/33/371227233.db2.gz AZWYYEKNIUWPOF-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO O[C@@H]1CCC[C@@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631066738 371268048 /nfs/dbraw/zinc/26/80/48/371268048.db2.gz MVNUDEDOVOKPHK-ZIAGYGMSSA-N 1 2 242.322 2.950 20 0 BFADLO CCCCC[NH2+][C@H](Cc1ccccc1)C(=O)OC ZINC000125212950 371301603 /nfs/dbraw/zinc/30/16/03/371301603.db2.gz HWGVODSBBWZNQL-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO CCn1cc([C@@H](C)[NH2+]CC(F)(F)CC)cn1 ZINC000624147642 371342938 /nfs/dbraw/zinc/34/29/38/371342938.db2.gz GUQKSEVSWYPLCZ-SECBINFHSA-N 1 2 231.290 2.599 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1ccccn1 ZINC000624148135 371344970 /nfs/dbraw/zinc/34/49/70/371344970.db2.gz WIUCLZQMRBTDHB-SECBINFHSA-N 1 2 214.259 2.778 20 0 BFADLO CCc1cc(C[NH2+]Cc2ccc(C)cc2F)on1 ZINC000631077286 371396419 /nfs/dbraw/zinc/39/64/19/371396419.db2.gz DSUQLGUCJROPSE-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@H](C2CC2)C1 ZINC000624226900 371415704 /nfs/dbraw/zinc/41/57/04/371415704.db2.gz AMUVGOSXHOJMHS-LBPRGKRZSA-N 1 2 232.327 2.717 20 0 BFADLO CCC[C@@H](CNc1[nH+]cccc1OC)OCC ZINC000624437709 371510347 /nfs/dbraw/zinc/51/03/47/371510347.db2.gz DOEIGMYBNQPMEP-NSHDSACASA-N 1 2 238.331 2.707 20 0 BFADLO COc1ccc(NCc2ccc(F)cc2)[nH+]c1 ZINC000226949369 371759881 /nfs/dbraw/zinc/75/98/81/371759881.db2.gz OVODLIDEXUSERW-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO CCCCc1cc(N[C@@H]2CCOC[C@H]2C)nc[nH+]1 ZINC000631248291 372258187 /nfs/dbraw/zinc/25/81/87/372258187.db2.gz XQOPECLJJZXMTJ-DGCLKSJQSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1cc(N[C@@H]2CCCC23CC3)nc[nH+]1 ZINC000631417866 372349521 /nfs/dbraw/zinc/34/95/21/372349521.db2.gz DEBSTDIWLHTFNS-LLVKDONJSA-N 1 2 217.316 2.784 20 0 BFADLO CC(C)(F)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000631659574 372485054 /nfs/dbraw/zinc/48/50/54/372485054.db2.gz RXZWBTXPMDJIMG-LBPRGKRZSA-N 1 2 247.317 2.837 20 0 BFADLO O=C(C[C@@H]1C=CCC1)Nc1ccn2cc[nH+]c2c1 ZINC000280707700 182014823 /nfs/dbraw/zinc/01/48/23/182014823.db2.gz GDXDBTLQGKWECA-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO Cn1ccc2ccc(NCc3c[nH+]cn3C)cc21 ZINC000190610027 205696861 /nfs/dbraw/zinc/69/68/61/205696861.db2.gz WOIVOJDASXFMIB-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCO[C@@H]1C ZINC000634547779 374303144 /nfs/dbraw/zinc/30/31/44/374303144.db2.gz DFTGHHIUXNTZGR-VXGBXAGGSA-N 1 2 235.327 2.756 20 0 BFADLO CCOc1ccccc1C[NH+]1CC(C)(OCC)C1 ZINC000459605687 206135810 /nfs/dbraw/zinc/13/58/10/206135810.db2.gz DKGVQLFZRYXESZ-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO OC[C@@H](CNc1cccc[nH+]1)CC1CCCC1 ZINC000359290816 183105663 /nfs/dbraw/zinc/10/56/63/183105663.db2.gz BOXBSWWGIJHLQN-CYBMUJFWSA-N 1 2 234.343 2.682 20 0 BFADLO O[C@@H](CNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000354323192 183181457 /nfs/dbraw/zinc/18/14/57/183181457.db2.gz AFCPBGWGQCQBOE-ZDUSSCGKSA-N 1 2 246.285 2.557 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353179559 183172720 /nfs/dbraw/zinc/17/27/20/183172720.db2.gz JESSYQWUKVDXRW-NWDGAFQWSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H](CC1CCCC1)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353179559 183172721 /nfs/dbraw/zinc/17/27/21/183172721.db2.gz JESSYQWUKVDXRW-NWDGAFQWSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000052007101 183191529 /nfs/dbraw/zinc/19/15/29/183191529.db2.gz SQWGGWGHOMVZFQ-ZIAGYGMSSA-N 1 2 242.322 2.950 20 0 BFADLO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353179552 183218473 /nfs/dbraw/zinc/21/84/73/183218473.db2.gz JESSYQWUKVDXRW-NEPJUHHUSA-N 1 2 247.329 2.657 20 0 BFADLO O[C@H](CC1CCCC1)C[N@H+]1CCC[C@H]1C(F)F ZINC000353179552 183218476 /nfs/dbraw/zinc/21/84/76/183218476.db2.gz JESSYQWUKVDXRW-NEPJUHHUSA-N 1 2 247.329 2.657 20 0 BFADLO CCCN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000265384884 169088472 /nfs/dbraw/zinc/08/84/72/169088472.db2.gz SBRFUMORVVMZPS-UHFFFAOYSA-N 1 2 205.305 2.509 20 0 BFADLO CCCN(C)c1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000299381065 169088636 /nfs/dbraw/zinc/08/86/36/169088636.db2.gz NSNWNTSVMUXGGD-UHFFFAOYSA-N 1 2 242.326 2.693 20 0 BFADLO CCC[N@H+](CC(=O)OCC)Cc1ccsc1 ZINC000050052339 169101916 /nfs/dbraw/zinc/10/19/16/169101916.db2.gz GOYMXSIARCPJFG-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO CCC[N@@H+](CC(=O)OCC)Cc1ccsc1 ZINC000050052339 169101917 /nfs/dbraw/zinc/10/19/17/169101917.db2.gz GOYMXSIARCPJFG-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO O[C@H]1CC[C@H](CNc2ccc3ccccc3[nH+]2)C1 ZINC000236571950 183242815 /nfs/dbraw/zinc/24/28/15/183242815.db2.gz VHKJRRKKUJXYKS-AAEUAGOBSA-N 1 2 242.322 2.808 20 0 BFADLO CCC[NH+](CCC)Cc1noc(C(C)(C)C)n1 ZINC000120179612 169150251 /nfs/dbraw/zinc/15/02/51/169150251.db2.gz XVUZXHRHZMTVSK-UHFFFAOYSA-N 1 2 239.363 2.989 20 0 BFADLO CCC[N@@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370740474 169190779 /nfs/dbraw/zinc/19/07/79/169190779.db2.gz OVAKDZFHBLAGMR-JTQLQIEISA-N 1 2 223.320 2.569 20 0 BFADLO CCC[N@H+]1CCCC[C@H]1c1noc(CC)n1 ZINC000370740474 169190782 /nfs/dbraw/zinc/19/07/82/169190782.db2.gz OVAKDZFHBLAGMR-JTQLQIEISA-N 1 2 223.320 2.569 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@H+]2Cc2cscn2)c1 ZINC000127378894 183329352 /nfs/dbraw/zinc/32/93/52/183329352.db2.gz QTLBLKZWBUEFAH-GFCCVEGCSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@H]2CCC[N@@H+]2Cc2cscn2)c1 ZINC000127378894 183329354 /nfs/dbraw/zinc/32/93/54/183329354.db2.gz QTLBLKZWBUEFAH-GFCCVEGCSA-N 1 2 233.340 2.808 20 0 BFADLO CCC[N@@H+](Cc1ccn(C)c1)CC(F)F ZINC000092737465 169178316 /nfs/dbraw/zinc/17/83/16/169178316.db2.gz CWVNEBYNBABKER-UHFFFAOYSA-N 1 2 216.275 2.502 20 0 BFADLO CCC[N@H+](Cc1ccn(C)c1)CC(F)F ZINC000092737465 169178317 /nfs/dbraw/zinc/17/83/17/169178317.db2.gz CWVNEBYNBABKER-UHFFFAOYSA-N 1 2 216.275 2.502 20 0 BFADLO c1cc([C@H]2CCCC[N@H+]2Cc2ccncc2)n[nH]1 ZINC000285377259 183339646 /nfs/dbraw/zinc/33/96/46/183339646.db2.gz MXNCMOUKIZNTHM-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@H]2CCCC[N@@H+]2Cc2ccncc2)n[nH]1 ZINC000285377259 183339648 /nfs/dbraw/zinc/33/96/48/183339648.db2.gz MXNCMOUKIZNTHM-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC000152061555 183341291 /nfs/dbraw/zinc/34/12/91/183341291.db2.gz ZNUKLNXLYRBSJN-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000152061555 183341292 /nfs/dbraw/zinc/34/12/92/183341292.db2.gz ZNUKLNXLYRBSJN-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1csc([C@H]2CCC[N@H+]2Cc2ccncc2)n1 ZINC000360092676 183342830 /nfs/dbraw/zinc/34/28/30/183342830.db2.gz LFAPSEIBHHJYQQ-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000360092676 183342832 /nfs/dbraw/zinc/34/28/32/183342832.db2.gz LFAPSEIBHHJYQQ-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc(C[NH2+][C@@H]2CCCc3sccc32)[nH]n1 ZINC000061328840 183351386 /nfs/dbraw/zinc/35/13/86/183351386.db2.gz LFSNDVBLXGPCPI-LLVKDONJSA-N 1 2 233.340 2.638 20 0 BFADLO c1cc(NC[C@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000288479468 183357286 /nfs/dbraw/zinc/35/72/86/183357286.db2.gz LCMYKGRZLUCPSL-SNVBAGLBSA-N 1 2 249.383 2.909 20 0 BFADLO c1cc(N[C@@H]2CCCSC2)nc(C2CC2)[nH+]1 ZINC000267145510 183358328 /nfs/dbraw/zinc/35/83/28/183358328.db2.gz AUUWJGDHFCDYFX-SNVBAGLBSA-N 1 2 235.356 2.662 20 0 BFADLO c1c[nH+]c(CNc2cccc3ncccc32)[nH]1 ZINC000049714508 183358389 /nfs/dbraw/zinc/35/83/89/183358389.db2.gz VVFMTNJAKHZKMB-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO CCCOc1ccc([NH2+]CC2(C)COC2)cc1 ZINC000079475235 169320118 /nfs/dbraw/zinc/32/01/18/169320118.db2.gz BOQGJSXLVYAHJP-UHFFFAOYSA-N 1 2 235.327 2.924 20 0 BFADLO CCCOc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715080 169325920 /nfs/dbraw/zinc/32/59/20/169325920.db2.gz GYZVCYLSWKDXRL-UHFFFAOYSA-N 1 2 231.299 2.811 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000112912599 169352806 /nfs/dbraw/zinc/35/28/06/169352806.db2.gz TVVZCBYZCIAUFI-SECBINFHSA-N 1 2 206.289 2.765 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266174930 169353272 /nfs/dbraw/zinc/35/32/72/169353272.db2.gz ZIGPEOYVSKCKOI-SNVBAGLBSA-N 1 2 231.299 2.709 20 0 BFADLO CCC[C@@H](C)C(=O)OCc1c[nH+]ccc1OC ZINC000286646108 169353941 /nfs/dbraw/zinc/35/39/41/169353941.db2.gz AAUDXALDAAUJJU-SNVBAGLBSA-N 1 2 237.299 2.570 20 0 BFADLO CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357116099 169355332 /nfs/dbraw/zinc/35/53/32/169355332.db2.gz HLCCBBCEJLVNKQ-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1ccc(NC[C@H]2CCSC2)c[nH+]1 ZINC000224450758 134347843 /nfs/dbraw/zinc/34/78/43/134347843.db2.gz FFWYDBHCZVBZMY-SNVBAGLBSA-N 1 2 208.330 2.555 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CCC(C)(C)O1 ZINC000184675606 134368169 /nfs/dbraw/zinc/36/81/69/134368169.db2.gz SASFUYWQIXXTGT-SNVBAGLBSA-N 1 2 235.318 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CCC(C)(C)O1 ZINC000184675606 134368170 /nfs/dbraw/zinc/36/81/70/134368170.db2.gz SASFUYWQIXXTGT-SNVBAGLBSA-N 1 2 235.318 2.921 20 0 BFADLO FC1(F)COCC[N@H+](CCC2CCCCC2)C1 ZINC000558176149 383825446 /nfs/dbraw/zinc/82/54/46/383825446.db2.gz ZXCHPQKVWXYIJK-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO FC1(F)COCC[N@@H+](CCC2CCCCC2)C1 ZINC000558176149 383825449 /nfs/dbraw/zinc/82/54/49/383825449.db2.gz ZXCHPQKVWXYIJK-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000111410660 383862395 /nfs/dbraw/zinc/86/23/95/383862395.db2.gz LDPDDVVCGGFSDI-BMIGLBTASA-N 1 2 241.338 2.741 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2scnc2C)o1 ZINC000220935677 383832264 /nfs/dbraw/zinc/83/22/64/383832264.db2.gz RTYIZOYQUXNRJR-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc(C)c(NCc2[nH+]ccn2C)c1 ZINC000036804412 383911002 /nfs/dbraw/zinc/91/10/02/383911002.db2.gz OXWRDEDLBDNBDE-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(Cl)c1 ZINC000036900139 383916731 /nfs/dbraw/zinc/91/67/31/383916731.db2.gz AXOICJKPRAGXMI-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO CC[C@@H](NC(=O)C1CCCCCC1)c1[nH]cc[nH+]1 ZINC000140456243 383904522 /nfs/dbraw/zinc/90/45/22/383904522.db2.gz DZPRTSNXFNNUCP-GFCCVEGCSA-N 1 2 249.358 2.947 20 0 BFADLO CC[C@H]([NH2+]Cc1cncs1)c1nccs1 ZINC000070717535 383962836 /nfs/dbraw/zinc/96/28/36/383962836.db2.gz QDVUIWFSZDZSIR-VIFPVBQESA-N 1 2 239.369 2.841 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccccn1)C(F)F ZINC000449358925 383977250 /nfs/dbraw/zinc/97/72/50/383977250.db2.gz GVQYEMUHVPHJAC-BDAKNGLRSA-N 1 2 214.259 2.776 20 0 BFADLO CC[N@H+](CCCCOC)c1ccccc1 ZINC000114207556 384026304 /nfs/dbraw/zinc/02/63/04/384026304.db2.gz IJWOUEMMBCCWGT-UHFFFAOYSA-N 1 2 207.317 2.940 20 0 BFADLO CC[N@@H+](CCCCOC)c1ccccc1 ZINC000114207556 384026309 /nfs/dbraw/zinc/02/63/09/384026309.db2.gz IJWOUEMMBCCWGT-UHFFFAOYSA-N 1 2 207.317 2.940 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cccs1)C(=O)OCC ZINC000037967122 384046172 /nfs/dbraw/zinc/04/61/72/384046172.db2.gz MWNVHXPWBRUSOR-LLVKDONJSA-N 1 2 241.356 2.570 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cccc(Cl)n1 ZINC000075592683 384047353 /nfs/dbraw/zinc/04/73/53/384047353.db2.gz HJRKPHGAGKAXFC-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cccc(Cl)n1 ZINC000075592683 384047357 /nfs/dbraw/zinc/04/73/57/384047357.db2.gz HJRKPHGAGKAXFC-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1ccsc1[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000069636704 384053660 /nfs/dbraw/zinc/05/36/60/384053660.db2.gz JUIKHIADZAKZLS-SNVBAGLBSA-N 1 2 235.356 2.939 20 0 BFADLO CCOc1ccc(NCc2c[nH+]cn2C)c(C)c1 ZINC000090167059 384030782 /nfs/dbraw/zinc/03/07/82/384030782.db2.gz LCFHUWARYLYTHD-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000114336206 384031768 /nfs/dbraw/zinc/03/17/68/384031768.db2.gz JVCLCCLVAKNMTO-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO Cc1nc(CSCCn2cc[nH+]c2)cs1 ZINC000090201155 384035652 /nfs/dbraw/zinc/03/56/52/384035652.db2.gz SYXCNTVCPWYRCP-UHFFFAOYSA-N 1 2 239.369 2.581 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NC[C@@H]2CCOC2)c1 ZINC000090803068 384076047 /nfs/dbraw/zinc/07/60/47/384076047.db2.gz SUZSRTLOHFUWSB-QMMMGPOBSA-N 1 2 246.232 2.549 20 0 BFADLO CC[C@H](Cc1ccccc1)[NH2+]C(C)(C)C(=O)OC ZINC000116384529 384131829 /nfs/dbraw/zinc/13/18/29/384131829.db2.gz XNJNDCRXIBEUCQ-CYBMUJFWSA-N 1 2 249.354 2.549 20 0 BFADLO CCCc1csc(C[N@@H+]2CC[C@H](F)C2)n1 ZINC000449390307 384147251 /nfs/dbraw/zinc/14/72/51/384147251.db2.gz GFPMTYSGCYNOKC-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO CCCc1csc(C[N@H+]2CC[C@H](F)C2)n1 ZINC000449390307 384147253 /nfs/dbraw/zinc/14/72/53/384147253.db2.gz GFPMTYSGCYNOKC-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnn(C(C)(C)C)c1 ZINC000071413842 384166939 /nfs/dbraw/zinc/16/69/39/384166939.db2.gz YOMUFCNSJQFCAL-UHFFFAOYSA-N 1 2 244.342 2.954 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000117941816 384185741 /nfs/dbraw/zinc/18/57/41/384185741.db2.gz VZHCMOMJNJXCQC-SMDDNHRTSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccco1 ZINC000090721775 384180840 /nfs/dbraw/zinc/18/08/40/384180840.db2.gz YVCSTTROUOTCJU-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1nc(C)c[nH]1 ZINC000628121840 384189378 /nfs/dbraw/zinc/18/93/78/384189378.db2.gz YANCNVQVDZKKPZ-UHFFFAOYSA-N 1 2 235.356 2.802 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1nc(C)c[nH]1 ZINC000628121840 384189383 /nfs/dbraw/zinc/18/93/83/384189383.db2.gz YANCNVQVDZKKPZ-UHFFFAOYSA-N 1 2 235.356 2.802 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H]2C2CC2)no1 ZINC000363384684 384237198 /nfs/dbraw/zinc/23/71/98/384237198.db2.gz OBGRLLJMJAGIMN-NSHDSACASA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2C2CC2)no1 ZINC000363384684 384237205 /nfs/dbraw/zinc/23/72/05/384237205.db2.gz OBGRLLJMJAGIMN-NSHDSACASA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)([NH2+]Cc1csnn1)c1ccccc1 ZINC000132613114 384238138 /nfs/dbraw/zinc/23/81/38/384238138.db2.gz ZFTRJKQSPNMILG-UHFFFAOYSA-N 1 2 233.340 2.563 20 0 BFADLO Clc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000118854374 384215683 /nfs/dbraw/zinc/21/56/83/384215683.db2.gz PVJUBSNTURFEBA-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1ccccc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000118854374 384215686 /nfs/dbraw/zinc/21/56/86/384215686.db2.gz PVJUBSNTURFEBA-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000153197128 384218036 /nfs/dbraw/zinc/21/80/36/384218036.db2.gz ZBHOIRZGSJYNRO-PHIMTYICSA-N 1 2 249.358 2.599 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)no1 ZINC000153197128 384218041 /nfs/dbraw/zinc/21/80/41/384218041.db2.gz ZBHOIRZGSJYNRO-PHIMTYICSA-N 1 2 249.358 2.599 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000560611107 384257100 /nfs/dbraw/zinc/25/71/00/384257100.db2.gz COYVFUAHKDQGRR-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000560611107 384257105 /nfs/dbraw/zinc/25/71/05/384257105.db2.gz COYVFUAHKDQGRR-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO Cc1ncsc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119153353 384241599 /nfs/dbraw/zinc/24/15/99/384241599.db2.gz FCJLCSZHBXBTQQ-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO COC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccco1 ZINC000159286977 384317777 /nfs/dbraw/zinc/31/77/77/384317777.db2.gz CVOARDCXQMKFIJ-WCQYABFASA-N 1 2 246.310 2.713 20 0 BFADLO CSC[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000133277434 384281064 /nfs/dbraw/zinc/28/10/64/384281064.db2.gz WZOUZNJIXSDALK-LLVKDONJSA-N 1 2 249.383 2.686 20 0 BFADLO CC(C)c1nc(N[C@@H]2CC[C@H]2C)cc[nH+]1 ZINC000308838536 384342166 /nfs/dbraw/zinc/34/21/66/384342166.db2.gz JFIOHCJMZDDCPI-NXEZZACHSA-N 1 2 205.305 2.810 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000120291457 384344833 /nfs/dbraw/zinc/34/48/33/384344833.db2.gz XMWWLIBSVYMOGJ-GHMZBOCLSA-N 1 2 247.342 2.900 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCC12CC2 ZINC000625605840 384346826 /nfs/dbraw/zinc/34/68/26/384346826.db2.gz DWCJEVZLRBUSGC-LBPRGKRZSA-N 1 2 244.338 2.585 20 0 BFADLO CSc1ccc(N[C@H](C)[C@@H]2CCOC2)[nH+]c1 ZINC000134310217 384350224 /nfs/dbraw/zinc/35/02/24/384350224.db2.gz NSYGIOSQNDZIDP-NXEZZACHSA-N 1 2 238.356 2.640 20 0 BFADLO CC(C)c1cc(NC[C@@H](C)O)nc(C(C)C)[nH+]1 ZINC000120512399 384358544 /nfs/dbraw/zinc/35/85/44/384358544.db2.gz CEZCFXOCOISMCQ-SNVBAGLBSA-N 1 2 237.347 2.516 20 0 BFADLO COC[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000134493093 384360210 /nfs/dbraw/zinc/36/02/10/384360210.db2.gz FBCYMTCVIUBRAF-LLVKDONJSA-N 1 2 222.332 2.508 20 0 BFADLO CCCC[C@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000168802435 384326431 /nfs/dbraw/zinc/32/64/31/384326431.db2.gz QJHNEXUOXXJDNL-CQSZACIVSA-N 1 2 247.338 2.734 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1nccs1 ZINC000134971459 384404474 /nfs/dbraw/zinc/40/44/74/384404474.db2.gz BPKBGWWLKNWSCU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1nccs1 ZINC000134971459 384404479 /nfs/dbraw/zinc/40/44/79/384404479.db2.gz BPKBGWWLKNWSCU-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CCCOC2)c[nH+]1 ZINC000335606534 384382248 /nfs/dbraw/zinc/38/22/48/384382248.db2.gz BOBMBJLRXBTDPT-NEPJUHHUSA-N 1 2 220.316 2.617 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182256 384445252 /nfs/dbraw/zinc/44/52/52/384445252.db2.gz DJAREOSBFGBSHR-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182256 384445257 /nfs/dbraw/zinc/44/52/57/384445257.db2.gz DJAREOSBFGBSHR-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC2(CCC2)C1 ZINC000122111188 384455317 /nfs/dbraw/zinc/45/53/17/384455317.db2.gz URBOXNPHBPRCTL-UHFFFAOYSA-N 1 2 245.326 2.798 20 0 BFADLO c1c[nH+]c(COCc2ccc3c(c2)CCC3)[nH]1 ZINC000180031313 384428402 /nfs/dbraw/zinc/42/84/02/384428402.db2.gz KVQQIAHDXCZEFP-UHFFFAOYSA-N 1 2 228.295 2.615 20 0 BFADLO CC(C)Cn1nccc1CNc1cccc[nH+]1 ZINC000647173323 384432633 /nfs/dbraw/zinc/43/26/33/384432633.db2.gz CJKUUXWYQYOUHD-UHFFFAOYSA-N 1 2 230.315 2.546 20 0 BFADLO CSc1cccc(NCc2c[nH+]cn2C)c1 ZINC000078779862 384465815 /nfs/dbraw/zinc/46/58/15/384465815.db2.gz OWDWNAQZIUDRIQ-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cscn1 ZINC000161134940 384466103 /nfs/dbraw/zinc/46/61/03/384466103.db2.gz PEWNDYUPVWAHTE-NXEZZACHSA-N 1 2 233.340 2.950 20 0 BFADLO Cc1cc(CNc2c[nH+]c3c(c2)CCCC3)no1 ZINC000556784965 384481984 /nfs/dbraw/zinc/48/19/84/384481984.db2.gz HVZHDUCZFZXREG-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO C[C@H](C1CCC1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000356796696 384484175 /nfs/dbraw/zinc/48/41/75/384484175.db2.gz RPMFUFOMUAZZMM-SNVBAGLBSA-N 1 2 231.343 2.979 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000049368610 384534158 /nfs/dbraw/zinc/53/41/58/384534158.db2.gz GXAYCCVCPWZIBX-NWDGAFQWSA-N 1 2 235.327 2.597 20 0 BFADLO Cc1cc(C)c(NCc2[nH]cc[nH+]2)c(C)c1 ZINC000049715503 384560289 /nfs/dbraw/zinc/56/02/89/384560289.db2.gz WYXLSYUXWOHBRG-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CC(C)n1ccc(C[N@H+](C)Cc2ccco2)n1 ZINC000172333572 384569264 /nfs/dbraw/zinc/56/92/64/384569264.db2.gz BFTLICDMRXZRRD-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1ccc(C[N@@H+](C)Cc2ccco2)n1 ZINC000172333572 384569268 /nfs/dbraw/zinc/56/92/68/384569268.db2.gz BFTLICDMRXZRRD-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000097988455 384583489 /nfs/dbraw/zinc/58/34/89/384583489.db2.gz VXXHYHVEVNBICO-RYUDHWBXSA-N 1 2 235.327 2.516 20 0 BFADLO COC(=O)[C@H](CC(C)C)[NH+]1Cc2ccccc2C1 ZINC000098083137 384590019 /nfs/dbraw/zinc/59/00/19/384590019.db2.gz MZIXVXYJEAQSFO-AWEZNQCLSA-N 1 2 247.338 2.590 20 0 BFADLO C[N@@H+](Cc1nccs1)C[C@H]1CCC(C)(C)O1 ZINC000184660696 384632580 /nfs/dbraw/zinc/63/25/80/384632580.db2.gz DFSVLDMOUANGJQ-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO C[N@H+](Cc1nccs1)C[C@H]1CCC(C)(C)O1 ZINC000184660696 384632586 /nfs/dbraw/zinc/63/25/86/384632586.db2.gz DFSVLDMOUANGJQ-SNVBAGLBSA-N 1 2 240.372 2.533 20 0 BFADLO C[C@H]1C[C@H]([NH2+]CC(F)(F)c2ccccc2)CO1 ZINC000402241353 384606383 /nfs/dbraw/zinc/60/63/83/384606383.db2.gz YBTJVVAVVGLFGW-JQWIXIFHSA-N 1 2 241.281 2.545 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)c2ccccc2)CO1 ZINC000402241357 384607887 /nfs/dbraw/zinc/60/78/87/384607887.db2.gz YBTJVVAVVGLFGW-ZYHUDNBSSA-N 1 2 241.281 2.545 20 0 BFADLO Cc1ccc(C[NH2+]CC(F)(F)C(F)F)cc1 ZINC000020518597 384620596 /nfs/dbraw/zinc/62/05/96/384620596.db2.gz SIWKHRXOJIJRRU-UHFFFAOYSA-N 1 2 235.224 2.985 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccncc2)o1 ZINC000162437916 384620627 /nfs/dbraw/zinc/62/06/27/384620627.db2.gz DYORISOAGQHXAA-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccncc2)o1 ZINC000162437916 384620631 /nfs/dbraw/zinc/62/06/31/384620631.db2.gz DYORISOAGQHXAA-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccnc2)o1 ZINC000162461519 384626847 /nfs/dbraw/zinc/62/68/47/384626847.db2.gz ZORNFOCOCXOXSI-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccnc2)o1 ZINC000162461519 384626852 /nfs/dbraw/zinc/62/68/52/384626852.db2.gz ZORNFOCOCXOXSI-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@H]([NH2+]Cc1nc(C2CC2)no1)c1ccccc1 ZINC000173388324 384676109 /nfs/dbraw/zinc/67/61/09/384676109.db2.gz IGKVYEMLUJNWAM-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO C[C@@H]1CSC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309824827 384642764 /nfs/dbraw/zinc/64/27/64/384642764.db2.gz XDEBOIHVTHMCPR-PSASIEDQSA-N 1 2 235.356 2.517 20 0 BFADLO Cc1cccc(N(C)Cc2ccc(N)[nH+]c2)c1C ZINC000647537857 384659221 /nfs/dbraw/zinc/65/92/21/384659221.db2.gz QJAILWBSYYLUMI-UHFFFAOYSA-N 1 2 241.338 2.747 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC000173173262 384660642 /nfs/dbraw/zinc/66/06/42/384660642.db2.gz YXLSGOZAEMEXQH-NEPJUHHUSA-N 1 2 248.326 2.676 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccco2)n1 ZINC000173176078 384661542 /nfs/dbraw/zinc/66/15/42/384661542.db2.gz YJWUYNJWEPUCCK-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccco2)n1 ZINC000173176078 384661550 /nfs/dbraw/zinc/66/15/50/384661550.db2.gz YJWUYNJWEPUCCK-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000173564375 384693457 /nfs/dbraw/zinc/69/34/57/384693457.db2.gz MWYIIWZUQNXJNQ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccoc2C)o1 ZINC000173564375 384693468 /nfs/dbraw/zinc/69/34/68/384693468.db2.gz MWYIIWZUQNXJNQ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC1(C(N)=O)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000335390459 384697883 /nfs/dbraw/zinc/69/78/83/384697883.db2.gz VAFJGYZXMIROQN-UHFFFAOYSA-N 1 2 244.747 2.759 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccccn2)s1 ZINC000125178936 384701758 /nfs/dbraw/zinc/70/17/58/384701758.db2.gz ROWCEEGVTVVSIV-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)cn1 ZINC000294259315 384702935 /nfs/dbraw/zinc/70/29/35/384702935.db2.gz XEJSQKQOJFQARH-CMPLNLGQSA-N 1 2 228.299 2.704 20 0 BFADLO Cc1cc(NC(=O)Cc2ccc(F)cc2)cc[nH+]1 ZINC000072709738 384702962 /nfs/dbraw/zinc/70/29/62/384702962.db2.gz AABYCISOYIKEIB-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2ccon2)o1 ZINC000309929049 384729905 /nfs/dbraw/zinc/72/99/05/384729905.db2.gz XACBTSAIIUMEOT-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO Cc1csc(C[NH2+]Cc2csc(C)n2)n1 ZINC000037988480 384741076 /nfs/dbraw/zinc/74/10/76/384741076.db2.gz ZOAUIUPTELQDSH-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000174102859 384756325 /nfs/dbraw/zinc/75/63/25/384756325.db2.gz HUBDENNWZNJGGB-RYUDHWBXSA-N 1 2 235.327 2.516 20 0 BFADLO Cc1cc[nH+]c(NC[C@H](C)C[C@@H](C)O)c1Cl ZINC000309987490 384767530 /nfs/dbraw/zinc/76/75/30/384767530.db2.gz ZBBQPDKMYORMAD-PSASIEDQSA-N 1 2 242.750 2.862 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccs2)o1 ZINC000171973927 384834586 /nfs/dbraw/zinc/83/45/86/384834586.db2.gz ASTATKZKTXPZLG-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO Cn1cc[nH+]c1CN1CCSc2ccccc21 ZINC000126567737 384809984 /nfs/dbraw/zinc/80/99/84/384809984.db2.gz XLBYDKYFMKWGNR-UHFFFAOYSA-N 1 2 245.351 2.532 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@]2(C)CCCO2)c[nH+]1 ZINC000309762176 384811810 /nfs/dbraw/zinc/81/18/10/384811810.db2.gz IYJGMBWVKGTEME-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO C[C@H](CNc1cccc[nH+]1)C(F)(F)F ZINC000306303253 384872055 /nfs/dbraw/zinc/87/20/55/384872055.db2.gz HKMXOSBOTKSURQ-SSDOTTSWSA-N 1 2 204.195 2.692 20 0 BFADLO CC[C@H]([NH2+]C[C@@H]1CCSC1)C(F)(F)F ZINC000308629740 384879390 /nfs/dbraw/zinc/87/93/90/384879390.db2.gz YLRKXMRTZDPLTH-YUMQZZPRSA-N 1 2 227.295 2.670 20 0 BFADLO CC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174978193 384853387 /nfs/dbraw/zinc/85/33/87/384853387.db2.gz JEOMRTJGYPWIIS-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO CC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174978193 384853392 /nfs/dbraw/zinc/85/33/92/384853392.db2.gz JEOMRTJGYPWIIS-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174973074 384854337 /nfs/dbraw/zinc/85/43/37/384854337.db2.gz ULMAWLTYVZGEGB-OUCADQQQSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174973074 384854343 /nfs/dbraw/zinc/85/43/43/384854343.db2.gz ULMAWLTYVZGEGB-OUCADQQQSA-N 1 2 247.338 2.631 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccco2)o1 ZINC000186557901 384854546 /nfs/dbraw/zinc/85/45/46/384854546.db2.gz VWAKXZXHLGITRT-NWDGAFQWSA-N 1 2 249.310 2.955 20 0 BFADLO CCCn1cc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000119959294 384855123 /nfs/dbraw/zinc/85/51/23/384855123.db2.gz YNDBDBULAOGTQX-UHFFFAOYSA-N 1 2 241.338 2.809 20 0 BFADLO CCSCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000127342382 384859001 /nfs/dbraw/zinc/85/90/01/384859001.db2.gz KVSKONUHZFECHP-SECBINFHSA-N 1 2 225.361 2.729 20 0 BFADLO Cc1nc(N2CCc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000175059314 384862883 /nfs/dbraw/zinc/86/28/83/384862883.db2.gz TYNSWEYCQDQMOT-NSHDSACASA-N 1 2 239.322 2.909 20 0 BFADLO CSCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301517115 384891941 /nfs/dbraw/zinc/89/19/41/384891941.db2.gz GTGWUEWHOZVCHA-UHFFFAOYSA-N 1 2 239.388 2.939 20 0 BFADLO CC[C@@H](CNc1cc(C)[nH+]c(C(C)C)n1)OC ZINC000310215406 384906435 /nfs/dbraw/zinc/90/64/35/384906435.db2.gz DEGLBJTXNBBIOM-NSHDSACASA-N 1 2 237.347 2.745 20 0 BFADLO FCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187058294 384909942 /nfs/dbraw/zinc/90/99/42/384909942.db2.gz FMLOKLXBAIJYAB-SECBINFHSA-N 1 2 246.376 2.593 20 0 BFADLO FCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187058294 384909947 /nfs/dbraw/zinc/90/99/47/384909947.db2.gz FMLOKLXBAIJYAB-SECBINFHSA-N 1 2 246.376 2.593 20 0 BFADLO Cc1ccc([N@H+](C)CCCCCO)cc1 ZINC000051020097 384912399 /nfs/dbraw/zinc/91/23/99/384912399.db2.gz ITMSKBHDCMYKIK-UHFFFAOYSA-N 1 2 207.317 2.594 20 0 BFADLO Cc1ccc([N@@H+](C)CCCCCO)cc1 ZINC000051020097 384912406 /nfs/dbraw/zinc/91/24/06/384912406.db2.gz ITMSKBHDCMYKIK-UHFFFAOYSA-N 1 2 207.317 2.594 20 0 BFADLO FC1(F)CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000300784670 384924064 /nfs/dbraw/zinc/92/40/64/384924064.db2.gz BACARRGKODQOAF-VIFPVBQESA-N 1 2 200.232 2.709 20 0 BFADLO CCOc1cc2c(cc1[NH2+]CC1CC1)OCCO2 ZINC000187312321 384932725 /nfs/dbraw/zinc/93/27/25/384932725.db2.gz SSEXOABZSMJOFA-UHFFFAOYSA-N 1 2 249.310 2.678 20 0 BFADLO C[N@H+](Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000106880385 384936622 /nfs/dbraw/zinc/93/66/22/384936622.db2.gz NOTRYEMCGYTXRB-VIFPVBQESA-N 1 2 243.709 2.700 20 0 BFADLO C[N@@H+](Cc1c(F)cccc1Cl)[C@H]1CCOC1 ZINC000106880385 384936628 /nfs/dbraw/zinc/93/66/28/384936628.db2.gz NOTRYEMCGYTXRB-VIFPVBQESA-N 1 2 243.709 2.700 20 0 BFADLO CS[C@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000128857929 384965629 /nfs/dbraw/zinc/96/56/29/384965629.db2.gz PLSKRVNOXMPTCK-SECBINFHSA-N 1 2 237.372 2.826 20 0 BFADLO Cc1cc(CNc2c[nH+]cc(C)c2)sn1 ZINC000404416720 384980233 /nfs/dbraw/zinc/98/02/33/384980233.db2.gz OPAOEDBIUJDHHV-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2conc2C)s1 ZINC000339294271 384982770 /nfs/dbraw/zinc/98/27/70/384982770.db2.gz RXLVVKPVEOZPEO-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@H]([NH2+]Cc1ccns1)c1nccs1 ZINC000404436693 384995383 /nfs/dbraw/zinc/99/53/83/384995383.db2.gz CVGHKKRHRJEOJS-VIFPVBQESA-N 1 2 239.369 2.841 20 0 BFADLO COC(=O)[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccccc1 ZINC000310761296 384996836 /nfs/dbraw/zinc/99/68/36/384996836.db2.gz AXKCFBWHIXELLF-JSGCOSHPSA-N 1 2 249.354 2.782 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC1CCCC1 ZINC000107293096 384963455 /nfs/dbraw/zinc/96/34/55/384963455.db2.gz MALJEZOLCOCVAE-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO COC(=O)[C@H]([NH2+]C(C)C)c1ccc(C)c(C)c1 ZINC000037445871 385050868 /nfs/dbraw/zinc/05/08/68/385050868.db2.gz ITVYLGQRSGNNKK-CYBMUJFWSA-N 1 2 235.327 2.516 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000176189605 385033909 /nfs/dbraw/zinc/03/39/09/385033909.db2.gz UHXWZBJVQUCDFI-JTQLQIEISA-N 1 2 220.316 2.929 20 0 BFADLO Cc1ncc(C(=O)Nc2ccc(C)[nH+]c2C)s1 ZINC000176208329 385039856 /nfs/dbraw/zinc/03/98/56/385039856.db2.gz SXSIDYSCNGVXLG-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO CCSCC[NH2+]c1ccc(OC)cc1OC ZINC000164780643 385042728 /nfs/dbraw/zinc/04/27/28/385042728.db2.gz DCZIBUVCVCQXAB-UHFFFAOYSA-N 1 2 241.356 2.869 20 0 BFADLO CC1(C)CC[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557750147 385112350 /nfs/dbraw/zinc/11/23/50/385112350.db2.gz CXJDMWUOJJNTSY-LLVKDONJSA-N 1 2 242.326 2.643 20 0 BFADLO CS[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000227357825 385123498 /nfs/dbraw/zinc/12/34/98/385123498.db2.gz GBIPPGVOYHBHLQ-WDEREUQCSA-N 1 2 237.372 2.871 20 0 BFADLO C/C=C(\CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000189108838 385123802 /nfs/dbraw/zinc/12/38/02/385123802.db2.gz MAPMDZPVSAPVOU-ONNFQVAWSA-N 1 2 204.273 2.685 20 0 BFADLO CCc1nc(C[N@@H+](CC)C[C@@H](C)CC)no1 ZINC000177848193 385126261 /nfs/dbraw/zinc/12/62/61/385126261.db2.gz DMTMHXBKDZUZKU-JTQLQIEISA-N 1 2 225.336 2.500 20 0 BFADLO CCc1nc(C[N@H+](CC)C[C@@H](C)CC)no1 ZINC000177848193 385126269 /nfs/dbraw/zinc/12/62/69/385126269.db2.gz DMTMHXBKDZUZKU-JTQLQIEISA-N 1 2 225.336 2.500 20 0 BFADLO c1c2ccccc2sc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644716998 385136609 /nfs/dbraw/zinc/13/66/09/385136609.db2.gz UTFIAGGYELTXOW-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO c1c2ccccc2sc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644716998 385136611 /nfs/dbraw/zinc/13/66/11/385136611.db2.gz UTFIAGGYELTXOW-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO CCN(C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000176739727 385140360 /nfs/dbraw/zinc/14/03/60/385140360.db2.gz PAJYQDHWHDQNQR-UHFFFAOYSA-N 1 2 235.331 2.961 20 0 BFADLO O=C(C=C1CCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000087223366 385086861 /nfs/dbraw/zinc/08/68/61/385086861.db2.gz OZWFSQNBBOLYGL-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1nnc(C[NH+]2CCC(C3CCCC3)CC2)[nH]1 ZINC000644670807 385087056 /nfs/dbraw/zinc/08/70/56/385087056.db2.gz ZFIQVYNAQYLRGK-UHFFFAOYSA-N 1 2 248.374 2.515 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000648280187 385088785 /nfs/dbraw/zinc/08/87/85/385088785.db2.gz YVJGVXYKGJEVQT-NWDGAFQWSA-N 1 2 246.354 2.823 20 0 BFADLO c1[nH+]c(SCC[C@H]2CCCO2)n2ccccc12 ZINC000188822307 385095955 /nfs/dbraw/zinc/09/59/55/385095955.db2.gz SHFRXLARCIOQCE-GFCCVEGCSA-N 1 2 248.351 2.996 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1nccs1 ZINC000643800689 385101907 /nfs/dbraw/zinc/10/19/07/385101907.db2.gz USBINWMHCBPPDY-DGCLKSJQSA-N 1 2 248.326 2.870 20 0 BFADLO Cc1cncc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000189763352 385182441 /nfs/dbraw/zinc/18/24/41/385182441.db2.gz SZBPPLKZXMYDLX-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cncc(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000189763352 385182444 /nfs/dbraw/zinc/18/24/44/385182444.db2.gz SZBPPLKZXMYDLX-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO CCC[C@](C)([NH2+]CCc1ccccc1)C(=O)OC ZINC000109802017 385189639 /nfs/dbraw/zinc/18/96/39/385189639.db2.gz QVOQJNLQLKDVSK-HNNXBMFYSA-N 1 2 249.354 2.551 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC000109825517 385193183 /nfs/dbraw/zinc/19/31/83/385193183.db2.gz QYCZASZKPUJWEY-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO Cn1cc[nH+]c1CN(CC1CC1)c1ccccc1 ZINC000177174765 385193756 /nfs/dbraw/zinc/19/37/56/385193756.db2.gz LBDDQIOPKPYODO-UHFFFAOYSA-N 1 2 241.338 2.837 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+]1Cc2cccnc2C1 ZINC000559758301 385154375 /nfs/dbraw/zinc/15/43/75/385154375.db2.gz CTASOOPYSVGQHI-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+]1Cc2cccnc2C1 ZINC000559758301 385154382 /nfs/dbraw/zinc/15/43/82/385154382.db2.gz CTASOOPYSVGQHI-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1Cc2cccnc2C1 ZINC000559760748 385157048 /nfs/dbraw/zinc/15/70/48/385157048.db2.gz TXULUHDXIGAEAQ-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1Cc2cccnc2C1 ZINC000559760748 385157053 /nfs/dbraw/zinc/15/70/53/385157053.db2.gz TXULUHDXIGAEAQ-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO Cc1ccc(CN(C)c2cc[nH+]c(C3CC3)n2)o1 ZINC000110113314 385211174 /nfs/dbraw/zinc/21/11/74/385211174.db2.gz BYKHQWUZHRLCQV-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO FCCNc1[nH+]ccc2ccc(F)cc21 ZINC000308860232 385222006 /nfs/dbraw/zinc/22/20/06/385222006.db2.gz BDKFWMQIJLLGFO-UHFFFAOYSA-N 1 2 208.211 2.755 20 0 BFADLO CC(C)c1nc(N2CCCSCC2)cc[nH+]1 ZINC000110220822 385225008 /nfs/dbraw/zinc/22/50/08/385225008.db2.gz IQBCVEBNMALIMN-UHFFFAOYSA-N 1 2 237.372 2.543 20 0 BFADLO c1ccc(NC[C@H]2Cc3ccccc32)[nH+]c1 ZINC000037654390 385235025 /nfs/dbraw/zinc/23/50/25/385235025.db2.gz IKDUNJBMVOJMLM-GFCCVEGCSA-N 1 2 210.280 2.833 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1ccncc1F ZINC000648350904 385306523 /nfs/dbraw/zinc/30/65/23/385306523.db2.gz JMXQYWXJQPHHMQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1ccncc1F ZINC000648350904 385306528 /nfs/dbraw/zinc/30/65/28/385306528.db2.gz JMXQYWXJQPHHMQ-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[C@H](O)CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000227999074 385308043 /nfs/dbraw/zinc/30/80/43/385308043.db2.gz MURRPSBVMPZWQP-QMMMGPOBSA-N 1 2 248.248 2.673 20 0 BFADLO Clc1ccc2c(c1)CCN(Cc1c[nH+]c[nH]1)C2 ZINC000191612940 385309912 /nfs/dbraw/zinc/30/99/12/385309912.db2.gz KPVCDOJHTVNXFM-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1ccc2c(c1)CCN(Cc1c[nH]c[nH+]1)C2 ZINC000191612940 385309913 /nfs/dbraw/zinc/30/99/13/385309913.db2.gz KPVCDOJHTVNXFM-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Clc1cnc(C[NH+]2CCCC2)c(Cl)c1 ZINC000335804979 385262866 /nfs/dbraw/zinc/26/28/66/385262866.db2.gz CWBWWLNDDZEGJI-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)cc[nH+]1 ZINC000648341250 385288756 /nfs/dbraw/zinc/28/87/56/385288756.db2.gz RHYBUHOSVPNQLS-WCQYABFASA-N 1 2 246.354 2.823 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cocn1 ZINC000191941270 385334506 /nfs/dbraw/zinc/33/45/06/385334506.db2.gz UZZCBTMUZZLRSS-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cocn1 ZINC000191941270 385334511 /nfs/dbraw/zinc/33/45/11/385334511.db2.gz UZZCBTMUZZLRSS-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)c[nH+]1 ZINC000407998042 385344332 /nfs/dbraw/zinc/34/43/32/385344332.db2.gz QHYOXVFFRIPBAH-NEPJUHHUSA-N 1 2 249.358 2.663 20 0 BFADLO Cc1[nH]c(C(=O)NCC2CCC(C)(C)CC2)c[nH+]1 ZINC000408006643 385376699 /nfs/dbraw/zinc/37/66/99/385376699.db2.gz BUFKGOMMIIXJCT-UHFFFAOYSA-N 1 2 249.358 2.664 20 0 BFADLO CC[C@H](SC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000178567511 385392704 /nfs/dbraw/zinc/39/27/04/385392704.db2.gz HRLFBTZCDLENST-NSHDSACASA-N 1 2 238.356 2.779 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816072 385440798 /nfs/dbraw/zinc/44/07/98/385440798.db2.gz YZPNUESIWQWIQZ-WSROAFLRSA-N 1 2 247.342 2.604 20 0 BFADLO CCc1cc(NCc2c[nH+]cn2C)ccc1C ZINC000182414504 385445584 /nfs/dbraw/zinc/44/55/84/385445584.db2.gz JQUJFTXVMDMYBX-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cccc(F)c2F)[C@H]1C ZINC000156515668 385456920 /nfs/dbraw/zinc/45/69/20/385456920.db2.gz YFVIEPPQSISHHV-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cccc(F)c2F)[C@H]1C ZINC000156515668 385456925 /nfs/dbraw/zinc/45/69/25/385456925.db2.gz YFVIEPPQSISHHV-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO CO[C@](C)(CNc1cc2cc[nH]c2c[nH+]1)C1CC1 ZINC000643164144 385471658 /nfs/dbraw/zinc/47/16/58/385471658.db2.gz BJKBDKCFDGRZLH-CQSZACIVSA-N 1 2 245.326 2.790 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)Cc1ccccc1Cl ZINC000179616431 385478522 /nfs/dbraw/zinc/47/85/22/385478522.db2.gz QGFDPNDNPNUPHX-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CC(C)n1cc[nH+]c1CN1Cc2ccccc2C1 ZINC000170958993 385458802 /nfs/dbraw/zinc/45/88/02/385458802.db2.gz GPQLAWJOEDHTRV-UHFFFAOYSA-N 1 2 241.338 2.980 20 0 BFADLO C[C@H](CCC(C)(C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895124 385460071 /nfs/dbraw/zinc/46/00/71/385460071.db2.gz HSXJHKUJFALMFX-ISALQUGTSA-N 1 2 249.358 2.754 20 0 BFADLO C[C@@H]1C[C@@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000156613115 385461110 /nfs/dbraw/zinc/46/11/10/385461110.db2.gz IGOMEESRFWJUHP-WDEREUQCSA-N 1 2 231.343 2.979 20 0 BFADLO CC[C@@H](C)CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000179834889 385494856 /nfs/dbraw/zinc/49/48/56/385494856.db2.gz CHXFEQDLFQLYPY-SNVBAGLBSA-N 1 2 235.331 2.900 20 0 BFADLO Nc1ccc(-c2ccccc2Cl)c[nH+]1 ZINC000016946519 385496742 /nfs/dbraw/zinc/49/67/42/385496742.db2.gz IYEZYIQUFDKFOV-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cc1noc(C(C)C)n1 ZINC000111255022 385498265 /nfs/dbraw/zinc/49/82/65/385498265.db2.gz WGUVQXGEOPFRKZ-SNVBAGLBSA-N 1 2 225.336 2.671 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000111255022 385498267 /nfs/dbraw/zinc/49/82/67/385498267.db2.gz WGUVQXGEOPFRKZ-SNVBAGLBSA-N 1 2 225.336 2.671 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC3(CCCCC3)C2)no1 ZINC000111323321 385501241 /nfs/dbraw/zinc/50/12/41/385501241.db2.gz SKFSZIOUNHUVAX-UHFFFAOYSA-N 1 2 249.358 2.924 20 0 BFADLO Cc1nc(C[N@H+]2CCCC3(CCCCC3)C2)no1 ZINC000111323321 385501244 /nfs/dbraw/zinc/50/12/44/385501244.db2.gz SKFSZIOUNHUVAX-UHFFFAOYSA-N 1 2 249.358 2.924 20 0 BFADLO c1c(C[NH+]2Cc3ccccc3C2)nc2ccccn12 ZINC000106303860 385504113 /nfs/dbraw/zinc/50/41/13/385504113.db2.gz IHBPGUYTRYMNFM-UHFFFAOYSA-N 1 2 249.317 2.850 20 0 BFADLO CC(C)c1nc(NCc2cccnc2)cc[nH+]1 ZINC000106461912 385509052 /nfs/dbraw/zinc/50/90/52/385509052.db2.gz KDZHRTOQJOTIMM-UHFFFAOYSA-N 1 2 228.299 2.607 20 0 BFADLO CC(C)[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171971631 385538034 /nfs/dbraw/zinc/53/80/34/385538034.db2.gz CTSZWWDRXNPCRD-NWDGAFQWSA-N 1 2 249.358 2.755 20 0 BFADLO Cc1ccoc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000644139971 385521575 /nfs/dbraw/zinc/52/15/75/385521575.db2.gz OXFAJQPCXSDWLM-UHFFFAOYSA-N 1 2 245.326 2.710 20 0 BFADLO Cc1csc(SCCCn2cc[nH+]c2)n1 ZINC000180430977 385523180 /nfs/dbraw/zinc/52/31/80/385523180.db2.gz NVFZQQVWLGOVPN-UHFFFAOYSA-N 1 2 239.369 2.830 20 0 BFADLO CCC1(C(=O)Nc2c[nH+]ccc2OC)CCCC1 ZINC000158135700 385550440 /nfs/dbraw/zinc/55/04/40/385550440.db2.gz VXNPBDHGMHUJCR-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO CCCc1nc(C[N@H+](C)CCOCC)cs1 ZINC000181013638 385559288 /nfs/dbraw/zinc/55/92/88/385559288.db2.gz IGNBAQUZWQZPDK-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CCCc1nc(C[N@@H+](C)CCOCC)cs1 ZINC000181013638 385559289 /nfs/dbraw/zinc/55/92/89/385559289.db2.gz IGNBAQUZWQZPDK-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO Cc1ccc(CC(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107294549 385561493 /nfs/dbraw/zinc/56/14/93/385561493.db2.gz MVOCNJZROCNDPK-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)no1 ZINC000181104117 385563646 /nfs/dbraw/zinc/56/36/46/385563646.db2.gz MMXODAZFAKLBDY-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccn2C)no1 ZINC000181104117 385563647 /nfs/dbraw/zinc/56/36/47/385563647.db2.gz MMXODAZFAKLBDY-CQSZACIVSA-N 1 2 245.326 2.659 20 0 BFADLO CC[C@H]1C[C@H](C(=O)Nc2cc[nH+]c(C)c2)CCO1 ZINC000181317908 385571005 /nfs/dbraw/zinc/57/10/05/385571005.db2.gz DBXPNKZCIKHMEV-YPMHNXCESA-N 1 2 248.326 2.534 20 0 BFADLO CCCc1nc(C[NH2+][C@H](C)c2ccccc2)no1 ZINC000181356167 385572657 /nfs/dbraw/zinc/57/26/57/385572657.db2.gz FGYDEDKZKZSXPE-LLVKDONJSA-N 1 2 245.326 2.873 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000645196979 385602390 /nfs/dbraw/zinc/60/23/90/385602390.db2.gz XGNSUZSZZULICP-LLVKDONJSA-N 1 2 240.297 2.510 20 0 BFADLO CC[C@H](CC(F)(F)F)[NH2+]Cc1cn[nH]c1C ZINC000309492494 385620964 /nfs/dbraw/zinc/62/09/64/385620964.db2.gz XMAJSLSUSYVLLE-SECBINFHSA-N 1 2 235.253 2.539 20 0 BFADLO c1nc(C[NH2+][C@@H]2CCCOc3ccccc32)co1 ZINC000182063537 385633567 /nfs/dbraw/zinc/63/35/67/385633567.db2.gz WKOOXGJZUFZDQL-CYBMUJFWSA-N 1 2 244.294 2.678 20 0 BFADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(Cl)s1 ZINC000054764491 385656304 /nfs/dbraw/zinc/65/63/04/385656304.db2.gz WPJNDILCFBOSTR-ZETCQYMHSA-N 1 2 241.747 2.975 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccon2)o1 ZINC000336734301 385661750 /nfs/dbraw/zinc/66/17/50/385661750.db2.gz HFPSGRUDBSUNNY-UWVGGRQHSA-N 1 2 220.272 2.988 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(C)CC1 ZINC000270140739 385675771 /nfs/dbraw/zinc/67/57/71/385675771.db2.gz IHXPVAZCCNCPGA-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(C)CC1 ZINC000270140739 385675776 /nfs/dbraw/zinc/67/57/76/385675776.db2.gz IHXPVAZCCNCPGA-CQSZACIVSA-N 1 2 245.322 2.553 20 0 BFADLO COc1cc(C)[nH+]c(CS[C@@H](C)C(C)=O)c1 ZINC000270172110 385680311 /nfs/dbraw/zinc/68/03/11/385680311.db2.gz WWNVHVYWORUUIX-JTQLQIEISA-N 1 2 239.340 2.609 20 0 BFADLO CC[N@H+](C)Cc1cccc(O)c1Br ZINC000307344465 385680789 /nfs/dbraw/zinc/68/07/89/385680789.db2.gz MVNKNSJDKHCYMK-UHFFFAOYSA-N 1 2 244.132 2.606 20 0 BFADLO CC[N@@H+](C)Cc1cccc(O)c1Br ZINC000307344465 385680792 /nfs/dbraw/zinc/68/07/92/385680792.db2.gz MVNKNSJDKHCYMK-UHFFFAOYSA-N 1 2 244.132 2.606 20 0 BFADLO CC(C)c1nc(N[C@H]2CSC[C@@H]2C)cc[nH+]1 ZINC000309549222 385680961 /nfs/dbraw/zinc/68/09/61/385680961.db2.gz HPJKQGZIZFSKKA-UWVGGRQHSA-N 1 2 237.372 2.763 20 0 BFADLO Cc1cc[nH+]c(NCCC[C@@H](C)CO)c1Cl ZINC000309547276 385682398 /nfs/dbraw/zinc/68/23/98/385682398.db2.gz HEUWNLWCZQGSGK-SECBINFHSA-N 1 2 242.750 2.864 20 0 BFADLO CC[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270550070 385717536 /nfs/dbraw/zinc/71/75/36/385717536.db2.gz FVJLSUJUDKCSTL-JTQLQIEISA-N 1 2 215.300 2.799 20 0 BFADLO Cc1cc[nH+]c(NC[C@](C)(O)C2CC2)c1Cl ZINC000336735294 385694882 /nfs/dbraw/zinc/69/48/82/385694882.db2.gz LOSJWRMSBMAZGG-LBPRGKRZSA-N 1 2 240.734 2.616 20 0 BFADLO CC(C)([NH2+]Cc1ccco1)c1nccs1 ZINC000116380060 385729311 /nfs/dbraw/zinc/72/93/11/385729311.db2.gz RIPFGJWNYWYJHA-UHFFFAOYSA-N 1 2 222.313 2.761 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)o1 ZINC000270706688 385733042 /nfs/dbraw/zinc/73/30/42/385733042.db2.gz JZTAGEMMPGDMCU-JTQLQIEISA-N 1 2 248.330 2.680 20 0 BFADLO CC[N@H+](Cc1[nH]ncc1C)Cc1occc1C ZINC000414551991 385743016 /nfs/dbraw/zinc/74/30/16/385743016.db2.gz QMAOXSSZCMJSHI-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[N@@H+](Cc1[nH]ncc1C)Cc1occc1C ZINC000414551991 385743018 /nfs/dbraw/zinc/74/30/18/385743018.db2.gz QMAOXSSZCMJSHI-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[N@@H+](Cc1n[nH]cc1C)Cc1occc1C ZINC000414551991 385743026 /nfs/dbraw/zinc/74/30/26/385743026.db2.gz QMAOXSSZCMJSHI-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC[N@H+](Cc1n[nH]cc1C)Cc1occc1C ZINC000414551991 385743028 /nfs/dbraw/zinc/74/30/28/385743028.db2.gz QMAOXSSZCMJSHI-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO CC(C)c1cnc(NCc2c[nH+]cn2C)s1 ZINC000185984946 385744018 /nfs/dbraw/zinc/74/40/18/385744018.db2.gz BABLUKZGNJNPKJ-UHFFFAOYSA-N 1 2 236.344 2.612 20 0 BFADLO Cc1ccc(CNc2ccc(CO)c[nH+]2)s1 ZINC000283720695 385748522 /nfs/dbraw/zinc/74/85/22/385748522.db2.gz BCBSLPFRPHVHOF-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO CO[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000282307049 385750250 /nfs/dbraw/zinc/75/02/50/385750250.db2.gz XVYSSNJTWOBEJN-LBPRGKRZSA-N 1 2 236.702 2.924 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1c[nH+]ccc1OC ZINC000183602190 385777382 /nfs/dbraw/zinc/77/73/82/385777382.db2.gz VRANFJKGFKJXQS-ZJUUUORDSA-N 1 2 236.315 2.711 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)o1 ZINC000182919888 385720860 /nfs/dbraw/zinc/72/08/60/385720860.db2.gz RZANHZXMJDKQRX-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO CCC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000270589692 385722103 /nfs/dbraw/zinc/72/21/03/385722103.db2.gz SGFSPLFNQQRMHO-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO CC(C)Cn1cc(C[N@H+](C)Cc2ccco2)cn1 ZINC000182972517 385725963 /nfs/dbraw/zinc/72/59/63/385725963.db2.gz ZWFCGDYCJNKDST-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CC(C)Cn1cc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000182972517 385725966 /nfs/dbraw/zinc/72/59/66/385725966.db2.gz ZWFCGDYCJNKDST-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CC(C)=CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000294118369 385807794 /nfs/dbraw/zinc/80/77/94/385807794.db2.gz KNKHMBOJOJLOAS-NSHDSACASA-N 1 2 248.355 2.511 20 0 BFADLO FC(F)(F)[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000336737937 385824838 /nfs/dbraw/zinc/82/48/38/385824838.db2.gz QVMMXGSTAFFHTK-CBAPKCEASA-N 1 2 239.306 2.670 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1nccs1 ZINC000271442309 385828596 /nfs/dbraw/zinc/82/85/96/385828596.db2.gz CJTZTZLZDORVNB-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1nccs1 ZINC000271442309 385828601 /nfs/dbraw/zinc/82/86/01/385828601.db2.gz CJTZTZLZDORVNB-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)cc2)s1 ZINC000271479192 385832095 /nfs/dbraw/zinc/83/20/95/385832095.db2.gz XKZUVXHIQPMOCN-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2ccc(C)cc2)s1 ZINC000271479192 385832096 /nfs/dbraw/zinc/83/20/96/385832096.db2.gz XKZUVXHIQPMOCN-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CSc1ccc(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000112296089 385837585 /nfs/dbraw/zinc/83/75/85/385837585.db2.gz AYMGZGUSYKLDAL-UHFFFAOYSA-N 1 2 248.307 2.957 20 0 BFADLO FC(F)(F)CSCCNc1cccc[nH+]1 ZINC000336740911 385841716 /nfs/dbraw/zinc/84/17/16/385841716.db2.gz UUTUBEHRGUQVCQ-UHFFFAOYSA-N 1 2 236.262 2.789 20 0 BFADLO Fc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000271650987 385843417 /nfs/dbraw/zinc/84/34/17/385843417.db2.gz RWQUMBHGTXEQOM-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000271650987 385843423 /nfs/dbraw/zinc/84/34/23/385843423.db2.gz RWQUMBHGTXEQOM-UHFFFAOYSA-N 1 2 209.239 2.885 20 0 BFADLO CC(C)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000283962672 385844092 /nfs/dbraw/zinc/84/40/92/385844092.db2.gz LWHZJQGVYXAUHC-BQYQJAHWSA-N 1 2 247.342 2.603 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000638116618 385848694 /nfs/dbraw/zinc/84/86/94/385848694.db2.gz KRVYTRBJFLBRHX-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)c(F)c1 ZINC000638116618 385848701 /nfs/dbraw/zinc/84/87/01/385848701.db2.gz KRVYTRBJFLBRHX-OAHLLOKOSA-N 1 2 249.329 2.745 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1nc(C)oc1C ZINC000294027976 385789450 /nfs/dbraw/zinc/78/94/50/385789450.db2.gz FHFYBYHYPLOICB-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CCC[C@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336740044 385791191 /nfs/dbraw/zinc/79/11/91/385791191.db2.gz TYVOUORGENVJAP-VIFPVBQESA-N 1 2 228.723 2.616 20 0 BFADLO COc1c(O)cccc1C[N@H+](C)Cc1ccco1 ZINC000272223583 385886513 /nfs/dbraw/zinc/88/65/13/385886513.db2.gz CKCKYABHRHSAMC-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO COc1c(O)cccc1C[N@@H+](C)Cc1ccco1 ZINC000272223583 385886517 /nfs/dbraw/zinc/88/65/17/385886517.db2.gz CKCKYABHRHSAMC-UHFFFAOYSA-N 1 2 247.294 2.626 20 0 BFADLO Cc1ccc(F)cc1C[N@H+](C)Cc1ccon1 ZINC000272218918 385886778 /nfs/dbraw/zinc/88/67/78/385886778.db2.gz BPOFISDUVWGWJI-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(F)cc1C[N@@H+](C)Cc1ccon1 ZINC000272218918 385886780 /nfs/dbraw/zinc/88/67/80/385886780.db2.gz BPOFISDUVWGWJI-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ncc([C@@H](C)Nc2ccc(C)[nH+]c2)c(C)n1 ZINC000272267880 385889867 /nfs/dbraw/zinc/88/98/67/385889867.db2.gz MRZPTXFFWWPJNT-LLVKDONJSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1ncc([C@H](C)Nc2ccc(C)[nH+]c2)c(C)n1 ZINC000272267882 385890129 /nfs/dbraw/zinc/89/01/29/385890129.db2.gz MRZPTXFFWWPJNT-NSHDSACASA-N 1 2 242.326 2.970 20 0 BFADLO Cc1c[nH+]c(C)nc1NCc1ccccc1Cl ZINC000647845268 385896407 /nfs/dbraw/zinc/89/64/07/385896407.db2.gz ZENRYLWFRWUZGM-UHFFFAOYSA-N 1 2 247.729 2.781 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(C)cc2)n1C ZINC000336721476 385911741 /nfs/dbraw/zinc/91/17/41/385911741.db2.gz ZVLHXQRBHLWEII-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccco2)CC1(C)C ZINC000294893261 385911721 /nfs/dbraw/zinc/91/17/21/385911721.db2.gz WOCRMKUVFVVCGP-LBPRGKRZSA-N 1 2 245.326 2.596 20 0 BFADLO CC(C)(C(=O)Nc1ccc(N)[nH+]c1)C1CCCC1 ZINC000335032887 385921519 /nfs/dbraw/zinc/92/15/19/385921519.db2.gz CEGWDOSVGZNFSK-UHFFFAOYSA-N 1 2 247.342 2.649 20 0 BFADLO CO[C@H](C[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000284457292 385871502 /nfs/dbraw/zinc/87/15/02/385871502.db2.gz RQZISPVAYUXKNE-CQSZACIVSA-N 1 2 235.302 2.933 20 0 BFADLO CO[C@H](C[N@H+]1CCC=C(F)C1)c1ccccc1 ZINC000284457292 385871506 /nfs/dbraw/zinc/87/15/06/385871506.db2.gz RQZISPVAYUXKNE-CQSZACIVSA-N 1 2 235.302 2.933 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294602327 385874462 /nfs/dbraw/zinc/87/44/62/385874462.db2.gz ZZBDEQXKFFSRHW-MNOVXSKESA-N 1 2 245.326 2.955 20 0 BFADLO COc1cc(C)[nH+]c(CSCCCF)c1 ZINC000272098010 385875626 /nfs/dbraw/zinc/87/56/26/385875626.db2.gz WPBQIUNVBZDVIM-UHFFFAOYSA-N 1 2 229.320 2.991 20 0 BFADLO CC1(C)CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284547880 385875753 /nfs/dbraw/zinc/87/57/53/385875753.db2.gz XOCPTSWNXGBVFK-NNNHXZLVSA-N 1 2 247.342 2.508 20 0 BFADLO FCCCCCSCCn1cc[nH+]c1 ZINC000284681308 385879160 /nfs/dbraw/zinc/87/91/60/385879160.db2.gz GGKVXGBHYOMHPE-UHFFFAOYSA-N 1 2 216.325 2.756 20 0 BFADLO FCC1CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000295194376 385987083 /nfs/dbraw/zinc/98/70/83/385987083.db2.gz UFTNITMSHOVBTE-UHFFFAOYSA-N 1 2 248.754 2.978 20 0 BFADLO CCc1cc(Nc2ccc(NC)[nH+]c2)nc(C)n1 ZINC000272823754 385941153 /nfs/dbraw/zinc/94/11/53/385941153.db2.gz FRDZINBXQDGUCH-UHFFFAOYSA-N 1 2 243.314 2.528 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(OCCCO)cc1 ZINC000285581791 385943610 /nfs/dbraw/zinc/94/36/10/385943610.db2.gz VGLLBZOQDPGNTL-GFCCVEGCSA-N 1 2 237.343 2.906 20 0 BFADLO CC(C)CC[N@H+](C)Cc1nn(C)cc1Cl ZINC000643249789 385949864 /nfs/dbraw/zinc/94/98/64/385949864.db2.gz GIEUHVKUYROAED-UHFFFAOYSA-N 1 2 229.755 2.551 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1nn(C)cc1Cl ZINC000643249789 385949869 /nfs/dbraw/zinc/94/98/69/385949869.db2.gz GIEUHVKUYROAED-UHFFFAOYSA-N 1 2 229.755 2.551 20 0 BFADLO c1cc([NH2+][C@H]2CCCSC2)cc2c1NCC2 ZINC000335052733 385951006 /nfs/dbraw/zinc/95/10/06/385951006.db2.gz HGJRIBIYHKFBPX-LBPRGKRZSA-N 1 2 234.368 2.962 20 0 BFADLO c1cc(N[C@H]2CCCSC2)cc2c1[NH2+]CC2 ZINC000335052733 385951012 /nfs/dbraw/zinc/95/10/12/385951012.db2.gz HGJRIBIYHKFBPX-LBPRGKRZSA-N 1 2 234.368 2.962 20 0 BFADLO c1cc([NH2+][C@@H]2CCCOCC2)cc2c1NCC2 ZINC000335052680 385951718 /nfs/dbraw/zinc/95/17/18/385951718.db2.gz GDSHDRMFLOAYIX-GFCCVEGCSA-N 1 2 232.327 2.636 20 0 BFADLO c1cc(N[C@@H]2CCCOCC2)cc2c1[NH2+]CC2 ZINC000335052680 385951723 /nfs/dbraw/zinc/95/17/23/385951723.db2.gz GDSHDRMFLOAYIX-GFCCVEGCSA-N 1 2 232.327 2.636 20 0 BFADLO CCc1cc(N2Cc3ccccc3C2)nc(C)[nH+]1 ZINC000272931324 385951823 /nfs/dbraw/zinc/95/18/23/385951823.db2.gz VKBNCVVUPCSJBL-UHFFFAOYSA-N 1 2 239.322 2.868 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCN3)CCO1 ZINC000335055899 385956694 /nfs/dbraw/zinc/95/66/94/385956694.db2.gz RTKCGSPECIIMPS-MFKMUULPSA-N 1 2 232.327 2.634 20 0 BFADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CCO1 ZINC000335055899 385956702 /nfs/dbraw/zinc/95/67/02/385956702.db2.gz RTKCGSPECIIMPS-MFKMUULPSA-N 1 2 232.327 2.634 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338318553 385967248 /nfs/dbraw/zinc/96/72/48/385967248.db2.gz LBXOIDKJHNJCLV-SNVBAGLBSA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000338318553 385967252 /nfs/dbraw/zinc/96/72/52/385967252.db2.gz LBXOIDKJHNJCLV-SNVBAGLBSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@@H+]2C/C=C/Cl)n1 ZINC000285820164 385968766 /nfs/dbraw/zinc/96/87/66/385968766.db2.gz WGSNOAILECGJMD-RWCYGVJQSA-N 1 2 241.722 2.658 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@H+]2C/C=C/Cl)n1 ZINC000285820164 385968774 /nfs/dbraw/zinc/96/87/74/385968774.db2.gz WGSNOAILECGJMD-RWCYGVJQSA-N 1 2 241.722 2.658 20 0 BFADLO Cc1ccc(NC(=O)[C@@]2(C)CC2(F)F)c(C)[nH+]1 ZINC000335066312 386003448 /nfs/dbraw/zinc/00/34/48/386003448.db2.gz BTNLNGLASFDGNJ-LLVKDONJSA-N 1 2 240.253 2.682 20 0 BFADLO Cc1cc(CNC(=O)C2(C)CCC2)cc(C)[nH+]1 ZINC000335072253 386023801 /nfs/dbraw/zinc/02/38/01/386023801.db2.gz CYZZXTWABJDLKX-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cccc(C(C)=O)c2)CCO1 ZINC000295593130 386057404 /nfs/dbraw/zinc/05/74/04/386057404.db2.gz TUICKVGOZHGMIL-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cccc(C(C)=O)c2)CCO1 ZINC000295593130 386057408 /nfs/dbraw/zinc/05/74/08/386057408.db2.gz TUICKVGOZHGMIL-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO Cc1ccc(Cc2noc(CC(C)C)n2)c[nH+]1 ZINC000273859308 386044861 /nfs/dbraw/zinc/04/48/61/386044861.db2.gz DLRNMYWHKDRJDX-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO c1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000129055788 386047692 /nfs/dbraw/zinc/04/76/92/386047692.db2.gz OPMKEZQJHCQWAW-RYUDHWBXSA-N 1 2 229.327 2.590 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000295546667 386049018 /nfs/dbraw/zinc/04/90/18/386049018.db2.gz WQMJJBIYDMULIK-WDEREUQCSA-N 1 2 247.338 2.776 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC3CCC2CC3)cc[nH+]1 ZINC000340232968 386049384 /nfs/dbraw/zinc/04/93/84/386049384.db2.gz VRHOQIMYAYORHI-YIZWMMSDSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1ccc(Cc2nc([C@H](C)C3CC3)no2)c[nH+]1 ZINC000273959203 386052633 /nfs/dbraw/zinc/05/26/33/386052633.db2.gz KMELGUDGONAKAW-SNVBAGLBSA-N 1 2 243.310 2.877 20 0 BFADLO CSc1ccc(N[C@H](C)Cn2cccn2)[nH+]c1 ZINC000345187073 386054670 /nfs/dbraw/zinc/05/46/70/386054670.db2.gz NVLAGLWGHDYNDR-SNVBAGLBSA-N 1 2 248.355 2.501 20 0 BFADLO CCc1ncc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000414319058 386118389 /nfs/dbraw/zinc/11/83/89/386118389.db2.gz RANIPQIYCRSUCU-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000295594679 386059047 /nfs/dbraw/zinc/05/90/47/386059047.db2.gz CIOTVVFQXXPORL-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000295594679 386059050 /nfs/dbraw/zinc/05/90/50/386059050.db2.gz CIOTVVFQXXPORL-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000425440912 386059703 /nfs/dbraw/zinc/05/97/03/386059703.db2.gz FHDZPGQVQIFSCJ-QWRGUYRKSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000425440912 386059709 /nfs/dbraw/zinc/05/97/09/386059709.db2.gz FHDZPGQVQIFSCJ-QWRGUYRKSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC=CCC1 ZINC000287433558 386121933 /nfs/dbraw/zinc/12/19/33/386121933.db2.gz GTVKEYGZCXBIPD-GFCCVEGCSA-N 1 2 245.326 2.929 20 0 BFADLO CCn1ccc(C[NH2+][C@H](C)c2cc(C)c(C)o2)n1 ZINC000414211734 386065033 /nfs/dbraw/zinc/06/50/33/386065033.db2.gz QLDBPNDBMINEBA-LLVKDONJSA-N 1 2 247.342 2.964 20 0 BFADLO Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000295794484 386087674 /nfs/dbraw/zinc/08/76/74/386087674.db2.gz SGKIDJBTKUGIMW-GFCCVEGCSA-N 1 2 232.327 2.904 20 0 BFADLO CCCC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000287137172 386098267 /nfs/dbraw/zinc/09/82/67/386098267.db2.gz ZBISCWJEROHCPQ-UHFFFAOYSA-N 1 2 237.299 2.712 20 0 BFADLO COC[C@@H](C)[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000335156966 386150558 /nfs/dbraw/zinc/15/05/58/386150558.db2.gz ASDTZRSYXBCMRK-SECBINFHSA-N 1 2 225.719 2.691 20 0 BFADLO COC[C@@H](C)[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000335156966 386150562 /nfs/dbraw/zinc/15/05/62/386150562.db2.gz ASDTZRSYXBCMRK-SECBINFHSA-N 1 2 225.719 2.691 20 0 BFADLO Clc1ccc2c(c1)C[N@@H+](CCn1cccn1)C2 ZINC000335159446 386154249 /nfs/dbraw/zinc/15/42/49/386154249.db2.gz KJXQNJKFJNZZJW-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1ccc2c(c1)C[N@H+](CCn1cccn1)C2 ZINC000335159446 386154251 /nfs/dbraw/zinc/15/42/51/386154251.db2.gz KJXQNJKFJNZZJW-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@@H]2F)nc(C(C)C)[nH+]1 ZINC000338836552 386156317 /nfs/dbraw/zinc/15/63/17/386156317.db2.gz SBYSZWFWXHZZKN-WDEREUQCSA-N 1 2 237.322 2.633 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000338882862 386172172 /nfs/dbraw/zinc/17/21/72/386172172.db2.gz LEKLALHDPBJFLQ-GRYCIOLGSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000338883295 386172209 /nfs/dbraw/zinc/17/22/09/386172209.db2.gz LEKLALHDPBJFLQ-IJLUTSLNSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000338883297 386172310 /nfs/dbraw/zinc/17/23/10/386172310.db2.gz LEKLALHDPBJFLQ-UTUOFQBUSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000647756485 386185195 /nfs/dbraw/zinc/18/51/95/386185195.db2.gz MLFPHXHHRBNLJC-GXSJLCMTSA-N 1 2 247.342 2.505 20 0 BFADLO CCc1nnc(C[N@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000274585552 386124500 /nfs/dbraw/zinc/12/45/00/386124500.db2.gz ILAJYFZZGOUGTM-UHFFFAOYSA-N 1 2 248.374 2.545 20 0 BFADLO CCc1nnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000274585552 386124506 /nfs/dbraw/zinc/12/45/06/386124506.db2.gz ILAJYFZZGOUGTM-UHFFFAOYSA-N 1 2 248.374 2.545 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C)CCC1 ZINC000287558100 386135734 /nfs/dbraw/zinc/13/57/34/386135734.db2.gz PIDOMAGCXAQAJY-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000334465263 386137408 /nfs/dbraw/zinc/13/74/08/386137408.db2.gz UEQBAKMPUVUPSO-DGCLKSJQSA-N 1 2 247.338 2.768 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000334465263 386137416 /nfs/dbraw/zinc/13/74/16/386137416.db2.gz UEQBAKMPUVUPSO-DGCLKSJQSA-N 1 2 247.338 2.768 20 0 BFADLO CN(Cc1c(F)cccc1F)c1cccc[nH+]1 ZINC000338780643 386138626 /nfs/dbraw/zinc/13/86/26/386138626.db2.gz DDEWACJLWYWPGF-UHFFFAOYSA-N 1 2 234.249 2.996 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC=C(F)C1 ZINC000287697163 386143101 /nfs/dbraw/zinc/14/31/01/386143101.db2.gz ZGPBLHKTOUPPPR-UHFFFAOYSA-N 1 2 249.289 2.789 20 0 BFADLO Cc1c[nH+]ccc1CCNc1ccc(Cl)cn1 ZINC000339056781 386227431 /nfs/dbraw/zinc/22/74/31/386227431.db2.gz UJEXJFWTANUTGG-UHFFFAOYSA-N 1 2 247.729 2.515 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)c(C)n1C ZINC000264360961 386229176 /nfs/dbraw/zinc/22/91/76/386229176.db2.gz AXRSMEADYARUKP-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CCCCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275786928 386238154 /nfs/dbraw/zinc/23/81/54/386238154.db2.gz DDIJBEKAFYKPPX-ZDUSSCGKSA-N 1 2 244.342 2.674 20 0 BFADLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1cn[nH]c1 ZINC000275198405 386191778 /nfs/dbraw/zinc/19/17/78/386191778.db2.gz QCDNKTGKLCRFRE-MRVPVSSYSA-N 1 2 248.355 2.594 20 0 BFADLO CCC(O)(CC)CCNc1cc[nH+]c(C2CC2)n1 ZINC000276208159 386287188 /nfs/dbraw/zinc/28/71/88/386287188.db2.gz JSHMTMTXKXAZKK-UHFFFAOYSA-N 1 2 249.358 2.707 20 0 BFADLO Cn1ccc2ccc(NCc3[nH+]ccn3C)cc21 ZINC000190620596 386324408 /nfs/dbraw/zinc/32/44/08/386324408.db2.gz VBAFCVMDKPNTCT-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO COc1cc(C[NH2+]CC(F)F)ccc1SC ZINC000298067186 386294330 /nfs/dbraw/zinc/29/43/30/386294330.db2.gz KQBOWOYGIFLRLU-UHFFFAOYSA-N 1 2 247.310 2.772 20 0 BFADLO CC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)c1ccccc1 ZINC000264696365 386263264 /nfs/dbraw/zinc/26/32/64/386263264.db2.gz AYWBDJCZOXBKLA-GFCCVEGCSA-N 1 2 243.310 2.599 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccnc2)co1 ZINC000647969956 386266601 /nfs/dbraw/zinc/26/66/01/386266601.db2.gz ZGGAUFZBQJCESJ-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccnc2)co1 ZINC000647969956 386266611 /nfs/dbraw/zinc/26/66/11/386266611.db2.gz ZGGAUFZBQJCESJ-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000347346888 386340417 /nfs/dbraw/zinc/34/04/17/386340417.db2.gz FWPIVALBSMGMTF-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000347346888 386340419 /nfs/dbraw/zinc/34/04/19/386340419.db2.gz FWPIVALBSMGMTF-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)CC1CCCC1 ZINC000298441424 386343129 /nfs/dbraw/zinc/34/31/29/386343129.db2.gz RDJUNLURAKAPFG-UHFFFAOYSA-N 1 2 247.342 2.666 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000347348909 386343768 /nfs/dbraw/zinc/34/37/68/386343768.db2.gz HZQYKPOCBYVPQU-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000347348909 386343773 /nfs/dbraw/zinc/34/37/73/386343773.db2.gz HZQYKPOCBYVPQU-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1csnn1)c1ccncc1 ZINC000436469492 386350659 /nfs/dbraw/zinc/35/06/59/386350659.db2.gz CGFHYFGYLPXOJA-KOLCDFICSA-N 1 2 248.355 2.735 20 0 BFADLO CC(C)[C@H](NC(=O)CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000276684684 386366090 /nfs/dbraw/zinc/36/60/90/386366090.db2.gz WPRBPOJGCLIQFS-NSHDSACASA-N 1 2 237.347 2.659 20 0 BFADLO CC[N@H+](CC[C@@H]1CCOC1)c1ccccc1 ZINC000347370486 386367616 /nfs/dbraw/zinc/36/76/16/386367616.db2.gz ABSHSIFOPIDAKI-CYBMUJFWSA-N 1 2 219.328 2.940 20 0 BFADLO CC[N@@H+](CC[C@@H]1CCOC1)c1ccccc1 ZINC000347370486 386367622 /nfs/dbraw/zinc/36/76/22/386367622.db2.gz ABSHSIFOPIDAKI-CYBMUJFWSA-N 1 2 219.328 2.940 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NC1CCCCCCC1 ZINC000276727035 386369833 /nfs/dbraw/zinc/36/98/33/386369833.db2.gz SQFJEKONUQKXPO-CMDGGOBGSA-N 1 2 247.342 2.652 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000334495414 386375758 /nfs/dbraw/zinc/37/57/58/386375758.db2.gz JQEFCYJKMDSQPC-PHIMTYICSA-N 1 2 243.310 2.719 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000334495414 386375763 /nfs/dbraw/zinc/37/57/63/386375763.db2.gz JQEFCYJKMDSQPC-PHIMTYICSA-N 1 2 243.310 2.719 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000347337484 386332286 /nfs/dbraw/zinc/33/22/86/386332286.db2.gz CROWYXTYRKFOOQ-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000347337484 386332291 /nfs/dbraw/zinc/33/22/91/386332291.db2.gz CROWYXTYRKFOOQ-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)c1cn[nH]c1 ZINC000289596403 386333234 /nfs/dbraw/zinc/33/32/34/386333234.db2.gz SPDVIQVYYNTRDS-SECBINFHSA-N 1 2 248.330 2.546 20 0 BFADLO FC(F)(F)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000277524579 386441872 /nfs/dbraw/zinc/44/18/72/386441872.db2.gz VKUNGXOIQVSTEY-VIFPVBQESA-N 1 2 230.233 2.860 20 0 BFADLO FC(F)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000290085011 386392829 /nfs/dbraw/zinc/39/28/29/386392829.db2.gz MGQDONROPRIAKK-UHFFFAOYSA-N 1 2 244.266 2.758 20 0 BFADLO C[N@H+](Cc1cnns1)[C@H]1CCc2ccccc21 ZINC000290142541 386399334 /nfs/dbraw/zinc/39/93/34/386399334.db2.gz VYMKLBYNPIVPBD-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1cnns1)[C@H]1CCc2ccccc21 ZINC000290142541 386399339 /nfs/dbraw/zinc/39/93/39/386399339.db2.gz VYMKLBYNPIVPBD-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1ccc(CN(C)c2cc[nH+]c(C)n2)cc1 ZINC000266148456 386403037 /nfs/dbraw/zinc/40/30/37/386403037.db2.gz JKPCOIWWJKNDIX-UHFFFAOYSA-N 1 2 227.311 2.730 20 0 BFADLO FC(F)(F)c1ncc(C[NH+]2CCCC2)s1 ZINC000336612936 386404264 /nfs/dbraw/zinc/40/42/64/386404264.db2.gz SOPVWIVWCOUPQB-UHFFFAOYSA-N 1 2 236.262 2.758 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCc3ccccc32)cc[nH+]1 ZINC000266167466 386404981 /nfs/dbraw/zinc/40/49/81/386404981.db2.gz YIIUQDDORAICQJ-CQSZACIVSA-N 1 2 239.322 2.909 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000336702747 386406990 /nfs/dbraw/zinc/40/69/90/386406990.db2.gz MLLXGAQHHUTPTN-CYBMUJFWSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000336702747 386406992 /nfs/dbraw/zinc/40/69/92/386406992.db2.gz MLLXGAQHHUTPTN-CYBMUJFWSA-N 1 2 235.331 2.569 20 0 BFADLO CO[C@H](C)COc1cc(C)[nH+]c2ccccc21 ZINC000277122625 386410729 /nfs/dbraw/zinc/41/07/29/386410729.db2.gz YWCNONFDSQWIOD-LLVKDONJSA-N 1 2 231.295 2.957 20 0 BFADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000277168513 386413027 /nfs/dbraw/zinc/41/30/27/386413027.db2.gz HMOWIIRPYYLSSX-ZJUUUORDSA-N 1 2 248.330 2.762 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)cc2F)n1 ZINC000639097546 386429277 /nfs/dbraw/zinc/42/92/77/386429277.db2.gz MKBSKHYAOVFLAX-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1nc(N2CCC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000266365543 386430385 /nfs/dbraw/zinc/43/03/85/386430385.db2.gz LASBNHNZHLJBHW-CYBMUJFWSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1ccc(CN(C)c2cc[nH+]c(C)n2)s1 ZINC000266369263 386431444 /nfs/dbraw/zinc/43/14/44/386431444.db2.gz LKWJGKUNBDNQRB-UHFFFAOYSA-N 1 2 233.340 2.791 20 0 BFADLO CC[C@@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000134965018 386475515 /nfs/dbraw/zinc/47/55/15/386475515.db2.gz CLFVHCRYGJWIHD-LBPRGKRZSA-N 1 2 230.311 2.808 20 0 BFADLO CC(C)[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)C(F)(F)F ZINC000336756553 386492021 /nfs/dbraw/zinc/49/20/21/386492021.db2.gz YOUAFDOTLDMLRU-KXUCPTDWSA-N 1 2 239.281 2.730 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3ncccc3C2)cc1 ZINC000366441654 386492250 /nfs/dbraw/zinc/49/22/50/386492250.db2.gz PTOFYCMLSKUAQY-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3ncccc3C2)cc1 ZINC000366441654 386492255 /nfs/dbraw/zinc/49/22/55/386492255.db2.gz PTOFYCMLSKUAQY-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H](C)c1ccccc1C)C1CC1 ZINC000227767433 386511473 /nfs/dbraw/zinc/51/14/73/386511473.db2.gz XHECHQWYSMEMFF-SMDDNHRTSA-N 1 2 247.338 2.597 20 0 BFADLO c1nc(NC2CC2)cc(NCCCC2CC2)[nH+]1 ZINC000519630481 386511653 /nfs/dbraw/zinc/51/16/53/386511653.db2.gz PAADSLZGSJCNOH-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO c1nc(NCCCC2CC2)cc(NC2CC2)[nH+]1 ZINC000519630481 386511658 /nfs/dbraw/zinc/51/16/58/386511658.db2.gz PAADSLZGSJCNOH-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@H](C)CO ZINC000134960132 386453388 /nfs/dbraw/zinc/45/33/88/386453388.db2.gz BPMMGFOOCOSGFK-GHMZBOCLSA-N 1 2 230.311 2.664 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnc(C)s2)o1 ZINC000098129986 386580234 /nfs/dbraw/zinc/58/02/34/386580234.db2.gz YWSQFACOJZUVIO-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnc(C)s2)o1 ZINC000098129986 386580238 /nfs/dbraw/zinc/58/02/38/386580238.db2.gz YWSQFACOJZUVIO-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC(C)(CO)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000124284068 386586912 /nfs/dbraw/zinc/58/69/12/386586912.db2.gz FYNPSSDNTNCPEC-UHFFFAOYSA-N 1 2 248.248 2.531 20 0 BFADLO Cc1nc(N2CC3(CCC3)[C@@H]2C(C)C)cc[nH+]1 ZINC000291823609 386587756 /nfs/dbraw/zinc/58/77/56/386587756.db2.gz KVRFZKMUOBANLY-ZDUSSCGKSA-N 1 2 231.343 2.800 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353611672 386531586 /nfs/dbraw/zinc/53/15/86/386531586.db2.gz ZQXVQYCGQCFGBF-DYEKYZERSA-N 1 2 248.370 2.539 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCN(C)C[C@@H]2C)o1 ZINC000353611672 386531593 /nfs/dbraw/zinc/53/15/93/386531593.db2.gz ZQXVQYCGQCFGBF-DYEKYZERSA-N 1 2 248.370 2.539 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]3C[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000425306971 386533331 /nfs/dbraw/zinc/53/33/31/386533331.db2.gz TVUWNQPNNGBDNV-ZSBIGDGJSA-N 1 2 243.354 2.874 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)no1 ZINC000267357848 386533716 /nfs/dbraw/zinc/53/37/16/386533716.db2.gz HRWRYQSMOQUZJP-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)no1 ZINC000267357848 386533720 /nfs/dbraw/zinc/53/37/20/386533720.db2.gz HRWRYQSMOQUZJP-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[N@H+](Cc1ccon1)[C@H]1CCc2ccc(F)cc21 ZINC000267395498 386537711 /nfs/dbraw/zinc/53/77/11/386537711.db2.gz YAEDZGWPSSFNSU-AWEZNQCLSA-N 1 2 246.285 2.933 20 0 BFADLO C[N@@H+](Cc1ccon1)[C@H]1CCc2ccc(F)cc21 ZINC000267395498 386537715 /nfs/dbraw/zinc/53/77/15/386537715.db2.gz YAEDZGWPSSFNSU-AWEZNQCLSA-N 1 2 246.285 2.933 20 0 BFADLO CC(C)(NC(=O)C[C@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000519712911 386542854 /nfs/dbraw/zinc/54/28/54/386542854.db2.gz VGNBLEMZXACZTF-NSHDSACASA-N 1 2 247.342 2.507 20 0 BFADLO Cn1c2c(cccc2F)[nH+]c1N1CCCCC1 ZINC000336913785 386551732 /nfs/dbraw/zinc/55/17/32/386551732.db2.gz AAGMPMFFTYTBFD-UHFFFAOYSA-N 1 2 233.290 2.703 20 0 BFADLO CC(C)N(Cc1c[nH+]cn1C)c1ccccc1 ZINC000267564151 386554920 /nfs/dbraw/zinc/55/49/20/386554920.db2.gz BNCQDQHAWSNXOJ-UHFFFAOYSA-N 1 2 229.327 2.835 20 0 BFADLO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](F)C1 ZINC000335467318 386556496 /nfs/dbraw/zinc/55/64/96/386556496.db2.gz IVXXTMXGBXWPNP-JTQLQIEISA-N 1 2 226.295 2.650 20 0 BFADLO Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](F)C1 ZINC000335467318 386556504 /nfs/dbraw/zinc/55/65/04/386556504.db2.gz IVXXTMXGBXWPNP-JTQLQIEISA-N 1 2 226.295 2.650 20 0 BFADLO c1ccc(NC2Cc3ccccc3C2)[nH+]c1 ZINC000123734428 386561269 /nfs/dbraw/zinc/56/12/69/386561269.db2.gz AFKVIMZVLIRWGS-UHFFFAOYSA-N 1 2 210.280 2.661 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000243274848 386561547 /nfs/dbraw/zinc/56/15/47/386561547.db2.gz KXBTZDCPRHWFCE-NSHDSACASA-N 1 2 234.347 2.677 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000243274848 386561551 /nfs/dbraw/zinc/56/15/51/386561551.db2.gz KXBTZDCPRHWFCE-NSHDSACASA-N 1 2 234.347 2.677 20 0 BFADLO CC(C)c1ncc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000335406820 386565550 /nfs/dbraw/zinc/56/55/50/386565550.db2.gz DPHWBBAMMXFWMJ-VIFPVBQESA-N 1 2 228.336 2.810 20 0 BFADLO CC(C)c1ncc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000335406820 386565553 /nfs/dbraw/zinc/56/55/53/386565553.db2.gz DPHWBBAMMXFWMJ-VIFPVBQESA-N 1 2 228.336 2.810 20 0 BFADLO Oc1cccc(C[N@@H+]2CC[C@H](F)C2)c1Cl ZINC000335407774 386567907 /nfs/dbraw/zinc/56/79/07/386567907.db2.gz UCWZAAYKVWJSLA-VIFPVBQESA-N 1 2 229.682 2.589 20 0 BFADLO Oc1cccc(C[N@H+]2CC[C@H](F)C2)c1Cl ZINC000335407774 386567911 /nfs/dbraw/zinc/56/79/11/386567911.db2.gz UCWZAAYKVWJSLA-VIFPVBQESA-N 1 2 229.682 2.589 20 0 BFADLO CSc1ccc(N(C)Cc2c[nH+]cn2C)cc1 ZINC000267660708 386569555 /nfs/dbraw/zinc/56/95/55/386569555.db2.gz ZNTXZVSSRGEVTQ-UHFFFAOYSA-N 1 2 247.367 2.778 20 0 BFADLO CC(C)CCO[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000267665728 386569636 /nfs/dbraw/zinc/56/96/36/386569636.db2.gz NOHUVZMHIVZLHK-CYBMUJFWSA-N 1 2 234.343 2.723 20 0 BFADLO CC(C)(C)c1nnc(CNc2cccc[nH+]2)s1 ZINC000268247667 386634070 /nfs/dbraw/zinc/63/40/70/386634070.db2.gz YTHNUZZIMOYPDC-UHFFFAOYSA-N 1 2 248.355 2.843 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1nc(C)c(C)o1 ZINC000292289639 386643722 /nfs/dbraw/zinc/64/37/22/386643722.db2.gz MCPGXWPBIWTRCE-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1nc(C)c(C)o1 ZINC000292289639 386643726 /nfs/dbraw/zinc/64/37/26/386643726.db2.gz MCPGXWPBIWTRCE-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO COc1cc(C)cc(NCc2[nH]cc[nH+]2)c1C ZINC000278871605 386599437 /nfs/dbraw/zinc/59/94/37/386599437.db2.gz YOUPMIYFCVPOGZ-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO CCc1cccc(NC(=O)CCc2[nH]cc[nH+]2)c1 ZINC000279246188 386654855 /nfs/dbraw/zinc/65/48/55/386654855.db2.gz SKELISLUTXZSRE-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC[N@H+](CC[C@@H]1CCOC1=O)c1cccc(C)c1 ZINC000267969737 386604111 /nfs/dbraw/zinc/60/41/11/386604111.db2.gz NALRBINYNSSMAI-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@@H]1CCOC1=O)c1cccc(C)c1 ZINC000267969737 386604119 /nfs/dbraw/zinc/60/41/19/386604119.db2.gz NALRBINYNSSMAI-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC1(C)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000267968907 386605235 /nfs/dbraw/zinc/60/52/35/386605235.db2.gz MHPRVCIVNRQCNU-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2CCC(C)(C)O2)c(C)[nH+]1 ZINC000279012921 386618882 /nfs/dbraw/zinc/61/88/82/386618882.db2.gz NTBWISZRCIUPFM-GFCCVEGCSA-N 1 2 248.326 2.595 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncn2C(C)C)o1 ZINC000425329147 386661426 /nfs/dbraw/zinc/66/14/26/386661426.db2.gz VHPHLHLDLZRLRR-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncn2C(C)C)o1 ZINC000425329147 386661434 /nfs/dbraw/zinc/66/14/34/386661434.db2.gz VHPHLHLDLZRLRR-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO COC[C@@H](CC(C)C)Nc1ccc[nH+]c1C ZINC000336759433 386663983 /nfs/dbraw/zinc/66/39/83/386663983.db2.gz IYGQBSQNRXZJJC-GFCCVEGCSA-N 1 2 222.332 2.863 20 0 BFADLO CN(CC(C)(C)O)c1[nH+]ccc2cc(F)ccc21 ZINC000335482008 386710427 /nfs/dbraw/zinc/71/04/27/386710427.db2.gz OQSRHNRQIOWOKC-UHFFFAOYSA-N 1 2 248.301 2.581 20 0 BFADLO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000066990507 386711135 /nfs/dbraw/zinc/71/11/35/386711135.db2.gz ALBPDTHBOYKBLK-CYBMUJFWSA-N 1 2 247.729 2.840 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000648059421 386684424 /nfs/dbraw/zinc/68/44/24/386684424.db2.gz OPXIAYDGSDKKRJ-ZYHUDNBSSA-N 1 2 242.326 2.644 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(F)c2)co1 ZINC000647956757 386698441 /nfs/dbraw/zinc/69/84/41/386698441.db2.gz DKWKHGGXSDXCMG-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(F)c2)co1 ZINC000647956757 386698447 /nfs/dbraw/zinc/69/84/47/386698447.db2.gz DKWKHGGXSDXCMG-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO COc1cc(C)nc(C[N@H+](C)Cc2ccoc2)c1 ZINC000339845472 386703944 /nfs/dbraw/zinc/70/39/44/386703944.db2.gz TZJMJPOGSNFBAU-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc(C)nc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000339845472 386703954 /nfs/dbraw/zinc/70/39/54/386703954.db2.gz TZJMJPOGSNFBAU-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCC[C@@](C)(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000279771118 386734764 /nfs/dbraw/zinc/73/47/64/386734764.db2.gz DWOAHNQCLPYSAI-CYBMUJFWSA-N 1 2 237.347 2.551 20 0 BFADLO CCC[C@@H]([NH2+]CC(F)(F)CO)c1ccsc1 ZINC000187923226 386735286 /nfs/dbraw/zinc/73/52/86/386735286.db2.gz MGQXNENGJOTQPE-SNVBAGLBSA-N 1 2 249.326 2.807 20 0 BFADLO CC(C)[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292846134 386736979 /nfs/dbraw/zinc/73/69/79/386736979.db2.gz VFOOWEGBGNBFBW-RYUDHWBXSA-N 1 2 243.297 2.599 20 0 BFADLO O[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128456 386739903 /nfs/dbraw/zinc/73/99/03/386739903.db2.gz WVPVTEIEPVGLIH-NEPJUHHUSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128456 386739909 /nfs/dbraw/zinc/73/99/09/386739909.db2.gz WVPVTEIEPVGLIH-NEPJUHHUSA-N 1 2 245.313 2.577 20 0 BFADLO CO[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000335484159 386712766 /nfs/dbraw/zinc/71/27/66/386712766.db2.gz QRFLRMABWYGGTR-LBPRGKRZSA-N 1 2 246.285 2.599 20 0 BFADLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)CC1(F)CC1 ZINC000526988606 386725653 /nfs/dbraw/zinc/72/56/53/386725653.db2.gz BLIGMZBCORQJIF-UHFFFAOYSA-N 1 2 239.338 2.641 20 0 BFADLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)CC1(F)CC1 ZINC000526988606 386725657 /nfs/dbraw/zinc/72/56/57/386725657.db2.gz BLIGMZBCORQJIF-UHFFFAOYSA-N 1 2 239.338 2.641 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000292921642 386747911 /nfs/dbraw/zinc/74/79/11/386747911.db2.gz BUUDHUFUGVUAME-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000292921642 386747914 /nfs/dbraw/zinc/74/79/14/386747914.db2.gz BUUDHUFUGVUAME-SNVBAGLBSA-N 1 2 228.698 2.669 20 0 BFADLO CCCC1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414930506 386751006 /nfs/dbraw/zinc/75/10/06/386751006.db2.gz PFDWTXJMVGTCOQ-UHFFFAOYSA-N 1 2 234.334 2.529 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1CF ZINC000293039462 386767229 /nfs/dbraw/zinc/76/72/29/386767229.db2.gz LYHMTOJFJVSEND-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]1CF ZINC000293039462 386767234 /nfs/dbraw/zinc/76/72/34/386767234.db2.gz LYHMTOJFJVSEND-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO CCn1cc[nH+]c1[C@H]1CCCCN1CC(F)F ZINC000645134235 386741205 /nfs/dbraw/zinc/74/12/05/386741205.db2.gz OXVBXHKPYSWNCW-SNVBAGLBSA-N 1 2 243.301 2.695 20 0 BFADLO C[C@@H](O)C[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000340778762 386772097 /nfs/dbraw/zinc/77/20/97/386772097.db2.gz LWJOGQKHFYDDPP-VHSXEESVSA-N 1 2 248.301 2.945 20 0 BFADLO CC(C)n1ccc(NCc2[nH+]ccn2C(C)C)n1 ZINC000280068267 386775462 /nfs/dbraw/zinc/77/54/62/386775462.db2.gz PLOZOLHZQQUNTP-UHFFFAOYSA-N 1 2 247.346 2.854 20 0 BFADLO CC(C)[C@@H]1[N@H+](Cc2csnn2)CC12CC=CC2 ZINC000648072743 386796522 /nfs/dbraw/zinc/79/65/22/386796522.db2.gz PKIFGXXQOINELH-LBPRGKRZSA-N 1 2 249.383 2.715 20 0 BFADLO CC(C)[C@@H]1[N@@H+](Cc2csnn2)CC12CC=CC2 ZINC000648072743 386796526 /nfs/dbraw/zinc/79/65/26/386796526.db2.gz PKIFGXXQOINELH-LBPRGKRZSA-N 1 2 249.383 2.715 20 0 BFADLO Cc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000019777109 386785782 /nfs/dbraw/zinc/78/57/82/386785782.db2.gz QZYHEHYJGMMSRN-UHFFFAOYSA-N 1 2 228.295 2.881 20 0 BFADLO CC(C)c1nc(NCCC2(F)CCC2)cc[nH+]1 ZINC000340923795 386799407 /nfs/dbraw/zinc/79/94/07/386799407.db2.gz XJSUDPJLCIZCCN-UHFFFAOYSA-N 1 2 237.322 2.716 20 0 BFADLO CC(C)Cn1nccc1C[N@H+](C)Cc1ccoc1 ZINC000648003864 386809099 /nfs/dbraw/zinc/80/90/99/386809099.db2.gz DSHZFVIQAAKOLP-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CC(C)Cn1nccc1C[N@@H+](C)Cc1ccoc1 ZINC000648003864 386809106 /nfs/dbraw/zinc/80/91/06/386809106.db2.gz DSHZFVIQAAKOLP-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO COCc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000301243369 386827558 /nfs/dbraw/zinc/82/75/58/386827558.db2.gz NEPWTWOHIVGKRY-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CC[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)[C@@H](C)O ZINC000395408576 386827898 /nfs/dbraw/zinc/82/78/98/386827898.db2.gz FRORSVUCIVJYMF-APPZFPTMSA-N 1 2 248.248 2.672 20 0 BFADLO Cc1nocc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000293510782 386829602 /nfs/dbraw/zinc/82/96/02/386829602.db2.gz AAZRKTLNBQFPHH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nocc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000293510782 386829606 /nfs/dbraw/zinc/82/96/06/386829606.db2.gz AAZRKTLNBQFPHH-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1c[nH+]c(CNC2(c3ccccc3)CC2)n1C ZINC000341056520 386832280 /nfs/dbraw/zinc/83/22/80/386832280.db2.gz ZEKWCGTTYVVZMT-UHFFFAOYSA-N 1 2 241.338 2.507 20 0 BFADLO CCSc1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366557651 386837936 /nfs/dbraw/zinc/83/79/36/386837936.db2.gz JQYRBKVVKHYHJQ-KGLIPLIRSA-N 1 2 249.379 2.772 20 0 BFADLO CCSc1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000366557651 386837939 /nfs/dbraw/zinc/83/79/39/386837939.db2.gz JQYRBKVVKHYHJQ-KGLIPLIRSA-N 1 2 249.379 2.772 20 0 BFADLO CCCCc1noc(C[N@@H+]2CCC=C(C)C2)n1 ZINC000280700985 386838432 /nfs/dbraw/zinc/83/84/32/386838432.db2.gz CEHHFGBKGPEVGO-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO CCCCc1noc(C[N@H+]2CCC=C(C)C2)n1 ZINC000280700985 386838435 /nfs/dbraw/zinc/83/84/35/386838435.db2.gz CEHHFGBKGPEVGO-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000341125688 386842522 /nfs/dbraw/zinc/84/25/22/386842522.db2.gz KXKVZOHUXHIJTL-VHSXEESVSA-N 1 2 231.299 2.790 20 0 BFADLO c1ccc2[nH+]c(NC[C@@H]3CCCO3)ccc2c1 ZINC000021818418 386846685 /nfs/dbraw/zinc/84/66/85/386846685.db2.gz YXFHDYRZUBPHNG-LBPRGKRZSA-N 1 2 228.295 2.826 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1c(F)cccc1Cl ZINC000293708209 386864608 /nfs/dbraw/zinc/86/46/08/386864608.db2.gz XRFTXMPWNUTHRC-SECBINFHSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1c(F)cccc1Cl ZINC000293708209 386864613 /nfs/dbraw/zinc/86/46/13/386864613.db2.gz XRFTXMPWNUTHRC-SECBINFHSA-N 1 2 243.709 2.700 20 0 BFADLO Cc1nc(N2C[C@@H]3CCC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000301680940 386868051 /nfs/dbraw/zinc/86/80/51/386868051.db2.gz SUYDUJLHBUFGFQ-STQMWFEESA-N 1 2 231.343 2.638 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000293736899 386869366 /nfs/dbraw/zinc/86/93/66/386869366.db2.gz ZSHSOUYJDYAWKF-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000293736899 386869367 /nfs/dbraw/zinc/86/93/67/386869367.db2.gz ZSHSOUYJDYAWKF-SNVBAGLBSA-N 1 2 243.709 2.700 20 0 BFADLO CC[C@H]([NH2+]Cc1occc1C)c1nccn1C ZINC000293741789 386871708 /nfs/dbraw/zinc/87/17/08/386871708.db2.gz QRZSILYKSNNWOO-NSHDSACASA-N 1 2 233.315 2.562 20 0 BFADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@H]2C)cn1 ZINC000334833223 386872504 /nfs/dbraw/zinc/87/25/04/386872504.db2.gz VTGPRGVVRFBRSW-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@H]2C)cn1 ZINC000334833223 386872508 /nfs/dbraw/zinc/87/25/08/386872508.db2.gz VTGPRGVVRFBRSW-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(F)cc2F)n1C ZINC000341274421 386875003 /nfs/dbraw/zinc/87/50/03/386875003.db2.gz FJMOUYSKDZROAJ-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO CCCCN(CC)c1cc(N2CCCC2)nc[nH+]1 ZINC000341285225 386877591 /nfs/dbraw/zinc/87/75/91/386877591.db2.gz XHXFKMOVKMUREW-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO CCCCN(CC)c1cc(N2CCCC2)[nH+]cn1 ZINC000341285225 386877595 /nfs/dbraw/zinc/87/75/95/386877595.db2.gz XHXFKMOVKMUREW-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO C[C@@H](C[C@@H](O)c1ccco1)Nc1cccc[nH+]1 ZINC000301908536 386889641 /nfs/dbraw/zinc/88/96/41/386889641.db2.gz RJYZCZNBFUKESV-WDEREUQCSA-N 1 2 232.283 2.599 20 0 BFADLO Cc1cc(NCc2coc3ccccc23)nc[nH+]1 ZINC000358216202 386913767 /nfs/dbraw/zinc/91/37/67/386913767.db2.gz WNZKQKVPSCJEDX-UHFFFAOYSA-N 1 2 239.278 2.565 20 0 BFADLO Cc1nc(C[NH+]2CC(CC(F)F)C2)cs1 ZINC000425359054 386915019 /nfs/dbraw/zinc/91/50/19/386915019.db2.gz RUWNXWSCOZYBBW-UHFFFAOYSA-N 1 2 232.299 2.539 20 0 BFADLO CC(C)c1cc(NC2(CO)CC2)nc(C(C)C)[nH+]1 ZINC000341377341 386897106 /nfs/dbraw/zinc/89/71/06/386897106.db2.gz PDFPRBWRRQKSSB-UHFFFAOYSA-N 1 2 249.358 2.660 20 0 BFADLO Cc1ccc(C[S@@](=O)CCC2CC2)c(C)[nH+]1 ZINC000358151897 386900894 /nfs/dbraw/zinc/90/08/94/386900894.db2.gz OHLJHCHKQIYURE-INIZCTEOSA-N 1 2 237.368 2.747 20 0 BFADLO CCc1cc(N2[C@H](C)CC[C@H]2C)nc(C)[nH+]1 ZINC000302098620 386903115 /nfs/dbraw/zinc/90/31/15/386903115.db2.gz PAKGZPZGNPFKJI-NXEZZACHSA-N 1 2 219.332 2.725 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)CCCO1 ZINC000341415473 386909413 /nfs/dbraw/zinc/90/94/13/386909413.db2.gz YNKNOZYTZHTSCK-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1cc(NCC[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000358197586 386911244 /nfs/dbraw/zinc/91/12/44/386911244.db2.gz UAORZXBEIPBXKT-DGCLKSJQSA-N 1 2 233.359 2.835 20 0 BFADLO Cc1cc(NC[C@@H]2CC2(C)C)nc(C2CC2)[nH+]1 ZINC000341482480 386911709 /nfs/dbraw/zinc/91/17/09/386911709.db2.gz IWAOPJDUOLUIMH-NSHDSACASA-N 1 2 231.343 2.542 20 0 BFADLO Cc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CO2 ZINC000367942477 386921478 /nfs/dbraw/zinc/92/14/78/386921478.db2.gz LOOLOUFUUJBMFX-GFCCVEGCSA-N 1 2 226.279 2.936 20 0 BFADLO CC(C)=CCNc1nc(N)c2ccccc2[nH+]1 ZINC000302742895 386934977 /nfs/dbraw/zinc/93/49/77/386934977.db2.gz ZRSOOBJPZNOVQM-UHFFFAOYSA-N 1 2 228.299 2.590 20 0 BFADLO Cc1ccnc([C@H](Nc2cccc[nH+]2)C2CC2)n1 ZINC000302837271 386939306 /nfs/dbraw/zinc/93/93/06/386939306.db2.gz XJHIOCURGOZOJA-CYBMUJFWSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1ccnc(C[NH2+]C2(c3ccccc3)CC2)n1 ZINC000341639261 386945783 /nfs/dbraw/zinc/94/57/83/386945783.db2.gz NKMLDXZANGLYFC-UHFFFAOYSA-N 1 2 239.322 2.564 20 0 BFADLO C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000336763296 386957378 /nfs/dbraw/zinc/95/73/78/386957378.db2.gz OYSKDFZPMPUCCE-GTDKDYCYSA-N 1 2 221.266 2.961 20 0 BFADLO Cc1ccc(CCCN[C@@H](C)C(F)(F)F)c[nH+]1 ZINC000425360448 386977545 /nfs/dbraw/zinc/97/75/45/386977545.db2.gz XFFZIYMFKKALOT-JTQLQIEISA-N 1 2 246.276 2.863 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000321753178 386982001 /nfs/dbraw/zinc/98/20/01/386982001.db2.gz BJGZDGMOZYBJQW-KZVJFYERSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1c(C)noc1C ZINC000331193962 386987455 /nfs/dbraw/zinc/98/74/55/386987455.db2.gz WKOBKTLKHJPLCQ-ONGXEEELSA-N 1 2 248.330 2.816 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000425380223 387032181 /nfs/dbraw/zinc/03/21/81/387032181.db2.gz CXXZSAZVNWETFV-QMMMGPOBSA-N 1 2 245.273 2.629 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000425380223 387032183 /nfs/dbraw/zinc/03/21/83/387032183.db2.gz CXXZSAZVNWETFV-QMMMGPOBSA-N 1 2 245.273 2.629 20 0 BFADLO FC1(F)CC[C@@H](COc2cc[nH+]cc2)C1 ZINC000334957276 387035982 /nfs/dbraw/zinc/03/59/82/387035982.db2.gz POPPMMOXTDBSAQ-SECBINFHSA-N 1 2 213.227 2.896 20 0 BFADLO CO[C@H]1CCC[C@H](Nc2c[nH+]cc(N(C)C)c2)C1 ZINC000639363661 387045046 /nfs/dbraw/zinc/04/50/46/387045046.db2.gz DLNATZMQOIELGX-FZMZJTMJSA-N 1 2 249.358 2.517 20 0 BFADLO CC(C)c1cc(C[NH2+]Cc2ccncc2F)on1 ZINC000648452313 387046119 /nfs/dbraw/zinc/04/61/19/387046119.db2.gz WKRKGIVKFBPQTR-UHFFFAOYSA-N 1 2 249.289 2.622 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CC1CCCCCC1 ZINC000267520849 387049923 /nfs/dbraw/zinc/04/99/23/387049923.db2.gz MBRCVMLZHPTCLL-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO O=C(CCC1CCCC1)Nc1cc[nH+]cc1O ZINC000109890729 387058222 /nfs/dbraw/zinc/05/82/22/387058222.db2.gz TUOZNCBVSWHYIG-UHFFFAOYSA-N 1 2 234.299 2.696 20 0 BFADLO CCOC1C[NH+](C/C(C)=C\c2ccccc2)C1 ZINC000459576226 387060463 /nfs/dbraw/zinc/06/04/63/387060463.db2.gz AANFLTDKHRVSON-LCYFTJDESA-N 1 2 231.339 2.811 20 0 BFADLO Cc1cccc2nc(C[N@@H+]3CC[C@@](C)(F)C3)cn21 ZINC000334976356 387063127 /nfs/dbraw/zinc/06/31/27/387063127.db2.gz WGEWBPMDOUFMHQ-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2nc(C[N@H+]3CC[C@@](C)(F)C3)cn21 ZINC000334976356 387063130 /nfs/dbraw/zinc/06/31/30/387063130.db2.gz WGEWBPMDOUFMHQ-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000336223580 387063793 /nfs/dbraw/zinc/06/37/93/387063793.db2.gz KWGKJKBLZWMNEA-HNNXBMFYSA-N 1 2 244.338 2.751 20 0 BFADLO C[C@@H](CC(C)(C)C)Nc1nc[nH+]c(N)c1Cl ZINC000395206460 387013466 /nfs/dbraw/zinc/01/34/66/387013466.db2.gz HVVCDJRBFXUHRP-ZETCQYMHSA-N 1 2 242.754 2.949 20 0 BFADLO C[C@@H](CC(C)(C)C)Nc1[nH+]cnc(N)c1Cl ZINC000395206460 387013469 /nfs/dbraw/zinc/01/34/69/387013469.db2.gz HVVCDJRBFXUHRP-ZETCQYMHSA-N 1 2 242.754 2.949 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000393421389 259703578 /nfs/dbraw/zinc/70/35/78/259703578.db2.gz NPTZLNQVQOUFJZ-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO Cc1c(Cl)c(C[N@H+]2CC[C@@H]2C(C)C)nn1C ZINC000334983741 387072091 /nfs/dbraw/zinc/07/20/91/387072091.db2.gz AZSYHEVHTIZUIT-LLVKDONJSA-N 1 2 241.766 2.612 20 0 BFADLO Cc1c(Cl)c(C[N@@H+]2CC[C@@H]2C(C)C)nn1C ZINC000334983741 387072097 /nfs/dbraw/zinc/07/20/97/387072097.db2.gz AZSYHEVHTIZUIT-LLVKDONJSA-N 1 2 241.766 2.612 20 0 BFADLO CCCC(CCC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000228453440 387094078 /nfs/dbraw/zinc/09/40/78/387094078.db2.gz HKANXFBDTADHBJ-UHFFFAOYSA-N 1 2 237.347 2.585 20 0 BFADLO CC[N@H+](Cc1cc(C)nn1C)Cc1occc1C ZINC000418094393 387100648 /nfs/dbraw/zinc/10/06/48/387100648.db2.gz IBDXJCAOCNCLEN-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO CC[N@@H+](Cc1cc(C)nn1C)Cc1occc1C ZINC000418094393 387100650 /nfs/dbraw/zinc/10/06/50/387100650.db2.gz IBDXJCAOCNCLEN-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO FC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000336279840 387110526 /nfs/dbraw/zinc/11/05/26/387110526.db2.gz DTDYWRFSEBMKKL-ZDUSSCGKSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000336279840 387110532 /nfs/dbraw/zinc/11/05/32/387110532.db2.gz DTDYWRFSEBMKKL-ZDUSSCGKSA-N 1 2 249.285 2.603 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)no1 ZINC000069068693 387113681 /nfs/dbraw/zinc/11/36/81/387113681.db2.gz MDXKHCMFWYMVPV-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)no1 ZINC000069068693 387113683 /nfs/dbraw/zinc/11/36/83/387113683.db2.gz MDXKHCMFWYMVPV-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO CC[C@@H](C)C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187076636 387155404 /nfs/dbraw/zinc/15/54/04/387155404.db2.gz WRUXOYYAUKJUFT-HWPZZCPQSA-N 1 2 239.384 2.993 20 0 BFADLO CC(C)CCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000371176317 387162282 /nfs/dbraw/zinc/16/22/82/387162282.db2.gz OSUBAMOIOZUOIZ-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)CCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000371176317 387162286 /nfs/dbraw/zinc/16/22/86/387162286.db2.gz OSUBAMOIOZUOIZ-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CC[N@@H+](CC(=O)OC)C/C(C)=C\c1ccccc1 ZINC000353281355 387170777 /nfs/dbraw/zinc/17/07/77/387170777.db2.gz AIXXAFIMAGRFHS-RAXLEYEMSA-N 1 2 247.338 2.585 20 0 BFADLO CC[N@H+](CC(=O)OC)C/C(C)=C\c1ccccc1 ZINC000353281355 387170779 /nfs/dbraw/zinc/17/07/79/387170779.db2.gz AIXXAFIMAGRFHS-RAXLEYEMSA-N 1 2 247.338 2.585 20 0 BFADLO Cc1c[nH+]c(C)nc1NC1Cc2ccccc2C1 ZINC000571821193 387176821 /nfs/dbraw/zinc/17/68/21/387176821.db2.gz OKXUKPBUARMEIR-UHFFFAOYSA-N 1 2 239.322 2.673 20 0 BFADLO Cc1nc([C@@](C)([NH2+][C@@H]2C=CCCC2)C2CC2)no1 ZINC000571839301 387181260 /nfs/dbraw/zinc/18/12/60/387181260.db2.gz ZGYPPZYVOORYHW-OCCSQVGLSA-N 1 2 247.342 2.702 20 0 BFADLO CC(C)[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187242193 387183702 /nfs/dbraw/zinc/18/37/02/387183702.db2.gz WIRUXBWCLUXNMW-ZDUSSCGKSA-N 1 2 241.281 2.747 20 0 BFADLO CC(C)[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000187242193 387183711 /nfs/dbraw/zinc/18/37/11/387183711.db2.gz WIRUXBWCLUXNMW-ZDUSSCGKSA-N 1 2 241.281 2.747 20 0 BFADLO Cc1cc(NCC[C@@H]2CCOC2)nc(C(C)C)[nH+]1 ZINC000230103654 387252513 /nfs/dbraw/zinc/25/25/13/387252513.db2.gz AWZBIXUCGVGZFZ-GFCCVEGCSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336401999 387232619 /nfs/dbraw/zinc/23/26/19/387232619.db2.gz SJPRHJQSZXJIAQ-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336401999 387232625 /nfs/dbraw/zinc/23/26/25/387232625.db2.gz SJPRHJQSZXJIAQ-UHFFFAOYSA-N 1 2 227.311 2.542 20 0 BFADLO Cc1cn2c(n1)C[N@H+]([C@H](C)c1ccccc1)CC2 ZINC000371701426 387242154 /nfs/dbraw/zinc/24/21/54/387242154.db2.gz TYYOECFEPCHVGD-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cn2c(n1)C[N@@H+]([C@H](C)c1ccccc1)CC2 ZINC000371701426 387242156 /nfs/dbraw/zinc/24/21/56/387242156.db2.gz TYYOECFEPCHVGD-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424664770 387242351 /nfs/dbraw/zinc/24/23/51/387242351.db2.gz KOHYIYPQIYDMRQ-WCQYABFASA-N 1 2 246.354 2.831 20 0 BFADLO CCC1(C)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000359954649 387198856 /nfs/dbraw/zinc/19/88/56/387198856.db2.gz PCECHZYNVOEAJG-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO CCO[C@@H](C)c1nccn1Cc1c[nH+]ccc1C ZINC000360561645 387309580 /nfs/dbraw/zinc/30/95/80/387309580.db2.gz JKZTZLIJSGGZAX-LBPRGKRZSA-N 1 2 245.326 2.732 20 0 BFADLO Cn1ncc2c1nc[nH+]c2NC(C)(C)C(C)(C)C ZINC000336797200 387261584 /nfs/dbraw/zinc/26/15/84/387261584.db2.gz ZKIDMBQRRWKNFD-UHFFFAOYSA-N 1 2 247.346 2.600 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](C)C1 ZINC000120771731 387269537 /nfs/dbraw/zinc/26/95/37/387269537.db2.gz ANIQGTFWUZFZQC-SNVBAGLBSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1occc1CNc1ccc(N(C)C)[nH+]c1 ZINC000321611453 387285117 /nfs/dbraw/zinc/28/51/17/387285117.db2.gz RBIOKCDQHKPKDA-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000336462948 387293143 /nfs/dbraw/zinc/29/31/43/387293143.db2.gz UHPRVXVOOUCAID-SCZZXKLOSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc[nH]n1 ZINC000336462948 387293151 /nfs/dbraw/zinc/29/31/51/387293151.db2.gz UHPRVXVOOUCAID-SCZZXKLOSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)[C@H]1C ZINC000336468633 387296004 /nfs/dbraw/zinc/29/60/04/387296004.db2.gz ZFBKHOFYHJVNBS-BDAKNGLRSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)[C@H]1C ZINC000336468633 387296008 /nfs/dbraw/zinc/29/60/08/387296008.db2.gz ZFBKHOFYHJVNBS-BDAKNGLRSA-N 1 2 222.357 2.861 20 0 BFADLO CC[C@H](CCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354325252 387359288 /nfs/dbraw/zinc/35/92/88/387359288.db2.gz UCRAYBQLCGVERK-GFCCVEGCSA-N 1 2 248.301 2.947 20 0 BFADLO CO[C@H](C)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000354329905 387361718 /nfs/dbraw/zinc/36/17/18/387361718.db2.gz UAWUKUQQCXNFMF-SNVBAGLBSA-N 1 2 248.301 2.633 20 0 BFADLO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)c(C)c1 ZINC000360966276 387379037 /nfs/dbraw/zinc/37/90/37/387379037.db2.gz NDWRQVNXLYHLGZ-LBPRGKRZSA-N 1 2 241.338 2.997 20 0 BFADLO COC(=O)[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000360617785 387323778 /nfs/dbraw/zinc/32/37/78/387323778.db2.gz GNWHJLJAJDBAEI-ZDUSSCGKSA-N 1 2 247.338 2.681 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000361337358 387442806 /nfs/dbraw/zinc/44/28/06/387442806.db2.gz RBPVYZMVHWBANV-NWDGAFQWSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000361337358 387442812 /nfs/dbraw/zinc/44/28/12/387442812.db2.gz RBPVYZMVHWBANV-NWDGAFQWSA-N 1 2 249.345 2.761 20 0 BFADLO Cc1ccc(N[C@@H]2CCC23CCOCC3)c[nH+]1 ZINC000374350057 387444713 /nfs/dbraw/zinc/44/47/13/387444713.db2.gz LDSCKKHNBXRZQO-CYBMUJFWSA-N 1 2 232.327 2.761 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1[C@H](C)CC[C@@H]1C ZINC000121723391 387404280 /nfs/dbraw/zinc/40/42/80/387404280.db2.gz ZZWOLTFKIYQQMZ-PHIMTYICSA-N 1 2 233.315 2.795 20 0 BFADLO CCCc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000361195361 387414636 /nfs/dbraw/zinc/41/46/36/387414636.db2.gz ZVSFNAVSFYFQRZ-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCCc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000361195361 387414639 /nfs/dbraw/zinc/41/46/39/387414639.db2.gz ZVSFNAVSFYFQRZ-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H](OC)C1CC1 ZINC000424094886 387500352 /nfs/dbraw/zinc/50/03/52/387500352.db2.gz VTDDLZFZVCCJHJ-AWEZNQCLSA-N 1 2 235.327 2.756 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000355351404 387522904 /nfs/dbraw/zinc/52/29/04/387522904.db2.gz DXYWYNZVJWJBGO-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000355351404 387522907 /nfs/dbraw/zinc/52/29/07/387522907.db2.gz DXYWYNZVJWJBGO-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO FC(F)C[N@H+](CCCC1CCOCC1)C1CC1 ZINC000361458591 387464545 /nfs/dbraw/zinc/46/45/45/387464545.db2.gz HFVYFVJKWDEXJO-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)C[N@@H+](CCCC1CCOCC1)C1CC1 ZINC000361458591 387464549 /nfs/dbraw/zinc/46/45/49/387464549.db2.gz HFVYFVJKWDEXJO-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1ccc2occc2c1 ZINC000352740352 387466989 /nfs/dbraw/zinc/46/69/89/387466989.db2.gz VZFPKPIEQUWEMZ-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cn1ccc(C[N@H+](CC(F)F)CC2CCC2)c1 ZINC000355129504 387484503 /nfs/dbraw/zinc/48/45/03/387484503.db2.gz FAMNTGYAFXDTCT-UHFFFAOYSA-N 1 2 242.313 2.892 20 0 BFADLO Cn1ccc(C[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000355129504 387484511 /nfs/dbraw/zinc/48/45/11/387484511.db2.gz FAMNTGYAFXDTCT-UHFFFAOYSA-N 1 2 242.313 2.892 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000355892544 387591530 /nfs/dbraw/zinc/59/15/30/387591530.db2.gz OYCNXCUKSYVOPX-SNVBAGLBSA-N 1 2 249.232 2.605 20 0 BFADLO FC(F)(F)CC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000355892544 387591532 /nfs/dbraw/zinc/59/15/32/387591532.db2.gz OYCNXCUKSYVOPX-SNVBAGLBSA-N 1 2 249.232 2.605 20 0 BFADLO CCC[C@](C)(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355988587 387603180 /nfs/dbraw/zinc/60/31/80/387603180.db2.gz OKDHFEMANXKDQF-AWEZNQCLSA-N 1 2 234.343 2.967 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)cc1 ZINC000124097487 387605303 /nfs/dbraw/zinc/60/53/03/387605303.db2.gz VGJRSKRZOXKUQJ-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)cc1 ZINC000124097487 387605312 /nfs/dbraw/zinc/60/53/12/387605312.db2.gz VGJRSKRZOXKUQJ-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Cc1nc(N2CC[C@@H](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000362396778 387608231 /nfs/dbraw/zinc/60/82/31/387608231.db2.gz PWGYICJCUGACOI-CYBMUJFWSA-N 1 2 231.343 2.638 20 0 BFADLO CN(CCOc1cc[nH+]cc1)c1ccccc1 ZINC000356098858 387616083 /nfs/dbraw/zinc/61/60/83/387616083.db2.gz QREUQTUEZIHRFI-UHFFFAOYSA-N 1 2 228.295 2.597 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@](C)(F)C1 ZINC000361863297 387546197 /nfs/dbraw/zinc/54/61/97/387546197.db2.gz UYGPUZWGPXQPII-GWCFXTLKSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@](C)(F)C1 ZINC000361863297 387546202 /nfs/dbraw/zinc/54/62/02/387546202.db2.gz UYGPUZWGPXQPII-GWCFXTLKSA-N 1 2 245.338 2.541 20 0 BFADLO CCC1(C[NH2+][C@H](C(=O)OC)c2ccccc2)CC1 ZINC000426193484 387548746 /nfs/dbraw/zinc/54/87/46/387548746.db2.gz IPIWSRCIIADEEK-ZDUSSCGKSA-N 1 2 247.338 2.681 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000035061614 387553283 /nfs/dbraw/zinc/55/32/83/387553283.db2.gz BBFMCUJYLZCINN-CQSZACIVSA-N 1 2 249.354 2.591 20 0 BFADLO COCC(C)(C)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000426390104 387562947 /nfs/dbraw/zinc/56/29/47/387562947.db2.gz NMCYABWSVWFFIP-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO COCC(C)(C)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000426390104 387562949 /nfs/dbraw/zinc/56/29/49/387562949.db2.gz NMCYABWSVWFFIP-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO CC[N@H+](CCCC(=O)OC)c1cccc(C)c1 ZINC000040235284 387578093 /nfs/dbraw/zinc/57/80/93/387578093.db2.gz XBMCCQFNANXZKC-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CC[N@@H+](CCCC(=O)OC)c1cccc(C)c1 ZINC000040235284 387578098 /nfs/dbraw/zinc/57/80/98/387578098.db2.gz XBMCCQFNANXZKC-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CC1(C)COc2ccc(-c3[nH]cc[nH+]3)cc21 ZINC000527589529 387634019 /nfs/dbraw/zinc/63/40/19/387634019.db2.gz HYWKUAXZJAWNJK-UHFFFAOYSA-N 1 2 214.268 2.747 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@@H]2CC2(C)C)[nH+]1 ZINC000362844917 387664251 /nfs/dbraw/zinc/66/42/51/387664251.db2.gz YOKHKEGAXBOWJS-SNVBAGLBSA-N 1 2 230.315 2.501 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccnc(C)c1)C(F)F ZINC000527711865 387670713 /nfs/dbraw/zinc/67/07/13/387670713.db2.gz BKYHGWLNDVUYDQ-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCCCC1 ZINC000431018558 387671405 /nfs/dbraw/zinc/67/14/05/387671405.db2.gz XCAGQILJFFSIAL-UHFFFAOYSA-N 1 2 233.290 2.703 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000440708922 387678260 /nfs/dbraw/zinc/67/82/60/387678260.db2.gz AWLQJHJFADUTBK-KGLIPLIRSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000440708922 387678264 /nfs/dbraw/zinc/67/82/64/387678264.db2.gz AWLQJHJFADUTBK-KGLIPLIRSA-N 1 2 237.318 2.808 20 0 BFADLO CC1(C(=O)Nc2ccc(N)[nH+]c2)CCCCCC1 ZINC000422783751 387684029 /nfs/dbraw/zinc/68/40/29/387684029.db2.gz HTJPJTFNUNYGPC-UHFFFAOYSA-N 1 2 247.342 2.793 20 0 BFADLO COC[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000044477440 387684286 /nfs/dbraw/zinc/68/42/86/387684286.db2.gz MHIGJOGACHGYIJ-JTQLQIEISA-N 1 2 237.347 2.603 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000440783897 387696456 /nfs/dbraw/zinc/69/64/56/387696456.db2.gz GLSNPYPPACSVSH-GHMZBOCLSA-N 1 2 243.347 2.870 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000440783897 387696461 /nfs/dbraw/zinc/69/64/61/387696461.db2.gz GLSNPYPPACSVSH-GHMZBOCLSA-N 1 2 243.347 2.870 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC(C)(C)C1 ZINC000431407803 387708408 /nfs/dbraw/zinc/70/84/08/387708408.db2.gz RFJMUTLEZRUOLE-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO CN(CC1CCC1)c1[nH+]c2ccc(F)cc2n1C ZINC000431413183 387708570 /nfs/dbraw/zinc/70/85/70/387708570.db2.gz HUQXZCSMTFNEMG-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO CC(=O)Nc1cccc(COc2cc[nH+]cc2)c1 ZINC000431497346 387712843 /nfs/dbraw/zinc/71/28/43/387712843.db2.gz WYOSZCBWAKSTCP-UHFFFAOYSA-N 1 2 242.278 2.619 20 0 BFADLO CCc1nc(C(C)(C)[NH2+]Cc2ccccc2)no1 ZINC000441208517 387737273 /nfs/dbraw/zinc/73/72/73/387737273.db2.gz NBJXXNFVZFBRJO-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1nccs1 ZINC000356874516 387738370 /nfs/dbraw/zinc/73/83/70/387738370.db2.gz QJBNYEXUNAGVSI-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@@H](C)CC1 ZINC000527869825 387740423 /nfs/dbraw/zinc/74/04/23/387740423.db2.gz MRERSUVJOPQRDX-LLVKDONJSA-N 1 2 220.316 2.717 20 0 BFADLO CC(C)c1nc(N2C[C@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000129116634 387764496 /nfs/dbraw/zinc/76/44/96/387764496.db2.gz NYZTYGNTADBARJ-VXGBXAGGSA-N 1 2 231.343 2.836 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CC12CC2 ZINC000527896458 387777706 /nfs/dbraw/zinc/77/77/06/387777706.db2.gz FIOIOCSONBTJDB-FXQIFTODSA-N 1 2 207.239 2.715 20 0 BFADLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000151018415 387792005 /nfs/dbraw/zinc/79/20/05/387792005.db2.gz ZSLSFIAMENWUPY-UHFFFAOYSA-N 1 2 249.354 2.850 20 0 BFADLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000151018415 387792012 /nfs/dbraw/zinc/79/20/12/387792012.db2.gz ZSLSFIAMENWUPY-UHFFFAOYSA-N 1 2 249.354 2.850 20 0 BFADLO Cc1cnccc1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000645842382 387798776 /nfs/dbraw/zinc/79/87/76/387798776.db2.gz LQTGYYZEXIPVHN-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cnccc1CC[N@H+]1CCC[C@H]1C(F)F ZINC000645842382 387798780 /nfs/dbraw/zinc/79/87/80/387798780.db2.gz LQTGYYZEXIPVHN-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO COc1ccc[nH+]c1N1CC2(CCC2)C[C@@H]1C ZINC000527984615 387801435 /nfs/dbraw/zinc/80/14/35/387801435.db2.gz ZTQHNZBDXBLQPZ-NSHDSACASA-N 1 2 232.327 2.859 20 0 BFADLO CC[C@H](F)CSCc1[nH+]ccn1CC ZINC000442549840 387804905 /nfs/dbraw/zinc/80/49/05/387804905.db2.gz ZPTISFYSOINYHR-VIFPVBQESA-N 1 2 216.325 2.884 20 0 BFADLO CCCC[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335070 387804852 /nfs/dbraw/zinc/80/48/52/387804852.db2.gz XNHXKZJKGPKBFC-LLVKDONJSA-N 1 2 249.358 2.984 20 0 BFADLO CCC(CC)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452336277 387806120 /nfs/dbraw/zinc/80/61/20/387806120.db2.gz UXPXOEZYIVQEBJ-UHFFFAOYSA-N 1 2 249.358 2.984 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000429368389 387806405 /nfs/dbraw/zinc/80/64/05/387806405.db2.gz WHEKJSLWSNCYRJ-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000429368389 387806411 /nfs/dbraw/zinc/80/64/11/387806411.db2.gz WHEKJSLWSNCYRJ-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO COc1ccc[nH+]c1N(C)C[C@@H]1CC=CCC1 ZINC000527962839 387810884 /nfs/dbraw/zinc/81/08/84/387810884.db2.gz MSDORTVGAVUHGJ-GFCCVEGCSA-N 1 2 232.327 2.883 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]1C1CC1 ZINC000528032862 387833314 /nfs/dbraw/zinc/83/33/14/387833314.db2.gz MBTOBFGBFHIPQA-QWRGUYRKSA-N 1 2 218.300 2.548 20 0 BFADLO FC1(F)[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]21 ZINC000528045003 387837824 /nfs/dbraw/zinc/83/78/24/387837824.db2.gz MHZMEGAXYCFQSA-TXEJJXNPSA-N 1 2 246.260 2.936 20 0 BFADLO c1cc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000528072293 387842747 /nfs/dbraw/zinc/84/27/47/387842747.db2.gz VWLJSWIEWZEVDC-RTXFEEFZSA-N 1 2 243.354 2.624 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442802004 387843321 /nfs/dbraw/zinc/84/33/21/387843321.db2.gz QXRDKVVMHMSCFN-MRVPVSSYSA-N 1 2 247.264 2.660 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442802004 387843322 /nfs/dbraw/zinc/84/33/22/387843322.db2.gz QXRDKVVMHMSCFN-MRVPVSSYSA-N 1 2 247.264 2.660 20 0 BFADLO CCSCc1cc[nH+]c(NCc2cn[nH]c2)c1 ZINC000611183349 387855308 /nfs/dbraw/zinc/85/53/08/387855308.db2.gz NBFXNJLSDIOLFA-UHFFFAOYSA-N 1 2 248.355 2.670 20 0 BFADLO Cc1nc(SCc2cc[nH+]c(N)c2)oc1C ZINC000235964240 387868101 /nfs/dbraw/zinc/86/81/01/387868101.db2.gz WFLUDPCSCLRVNO-UHFFFAOYSA-N 1 2 235.312 2.561 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC000528036372 387817485 /nfs/dbraw/zinc/81/74/85/387817485.db2.gz QSXFEESKKPXNOM-DCAQKATOSA-N 1 2 220.316 2.571 20 0 BFADLO c1cc(C[NH2+]Cc2cc3ccccc3s2)[nH]n1 ZINC000236575602 387897949 /nfs/dbraw/zinc/89/79/49/387897949.db2.gz QOJAGSJFBTYEIR-UHFFFAOYSA-N 1 2 243.335 2.914 20 0 BFADLO CC(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000443987759 387881225 /nfs/dbraw/zinc/88/12/25/387881225.db2.gz LCHSOBJGBGOTDU-LBPRGKRZSA-N 1 2 204.317 2.954 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cc(CO)ccc1F ZINC000528355531 387907536 /nfs/dbraw/zinc/90/75/36/387907536.db2.gz CLGCJKQELDEJCR-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cc(CO)ccc1F ZINC000528355531 387907539 /nfs/dbraw/zinc/90/75/39/387907539.db2.gz CLGCJKQELDEJCR-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000438344237 387926165 /nfs/dbraw/zinc/92/61/65/387926165.db2.gz GMDCBLPQVQKWMU-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000438344237 387926167 /nfs/dbraw/zinc/92/61/67/387926167.db2.gz GMDCBLPQVQKWMU-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CC[C@H](NCc1c[nH+]cn1C(C)C)C(F)(F)F ZINC000424199751 387927079 /nfs/dbraw/zinc/92/70/79/387927079.db2.gz ZGASBGIAUPVLPU-JTQLQIEISA-N 1 2 249.280 2.895 20 0 BFADLO Cc1nc(N2CCCC3(CCCC3)C2)cc[nH+]1 ZINC000445660649 387955814 /nfs/dbraw/zinc/95/58/14/387955814.db2.gz UWAJFNXAIADKOQ-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000245421033 387946563 /nfs/dbraw/zinc/94/65/63/387946563.db2.gz HTWJMZMUZGCAEZ-SMDDNHRTSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000245421033 387946566 /nfs/dbraw/zinc/94/65/66/387946566.db2.gz HTWJMZMUZGCAEZ-SMDDNHRTSA-N 1 2 228.295 2.868 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1F ZINC000245549095 387958554 /nfs/dbraw/zinc/95/85/54/387958554.db2.gz YUPPYGQUSDBIST-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1F ZINC000245549095 387958558 /nfs/dbraw/zinc/95/85/58/387958558.db2.gz YUPPYGQUSDBIST-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[NH2+]Cc2noc(C3CC3)n2)s1 ZINC000438853853 387958802 /nfs/dbraw/zinc/95/88/02/387958802.db2.gz QLIXUODVQFTIQO-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1nc(C2([NH2+]CC3=CCCC3)CCCC2)no1 ZINC000645810364 387961129 /nfs/dbraw/zinc/96/11/29/387961129.db2.gz DENVZTSQEJLNAJ-UHFFFAOYSA-N 1 2 247.342 2.847 20 0 BFADLO CCc1nocc1CNc1ccc(C)[nH+]c1C ZINC000453045364 387972175 /nfs/dbraw/zinc/97/21/75/387972175.db2.gz BCWMROSXJJLDAT-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000424313696 387965305 /nfs/dbraw/zinc/96/53/05/387965305.db2.gz BJGZDGMOZYBJQW-XAVMHZPKSA-N 1 2 209.255 2.961 20 0 BFADLO Cc1cc(CNc2cccc(CO)[nH+]2)cs1 ZINC000453045281 387971460 /nfs/dbraw/zinc/97/14/60/387971460.db2.gz ATPGJPLUEQWLJR-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1sccc1CNc1cccc(CO)[nH+]1 ZINC000453045333 387971475 /nfs/dbraw/zinc/97/14/75/387971475.db2.gz AYWNSVDPMMJHDY-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)C(F)(F)F ZINC000424333986 387979255 /nfs/dbraw/zinc/97/92/55/387979255.db2.gz YGPYCABTXISJJX-OPRDCNLKSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H](C)[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000453061947 387977208 /nfs/dbraw/zinc/97/72/08/387977208.db2.gz UBMGZEOCSCQPAV-JQWIXIFHSA-N 1 2 236.363 2.814 20 0 BFADLO CCCCOC1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000439349316 387995880 /nfs/dbraw/zinc/99/58/80/387995880.db2.gz BFTJCFRVUVEALO-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO Cc1ccc2[nH+]c(CSc3ncco3)cn2c1 ZINC000446071348 387991818 /nfs/dbraw/zinc/99/18/18/387991818.db2.gz MMXPODLVCIQHPN-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CC[C@@H]([NH2+]C1(C(F)F)CC1)c1ccncc1 ZINC000453206991 388010195 /nfs/dbraw/zinc/01/01/95/388010195.db2.gz FTQUTEMYIKRJHN-SNVBAGLBSA-N 1 2 226.270 2.920 20 0 BFADLO CC[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)C(F)F ZINC000453249894 388025397 /nfs/dbraw/zinc/02/53/97/388025397.db2.gz QRYNMTMZKOOYOB-XHNCKOQMSA-N 1 2 229.274 2.522 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@@H](C)O1 ZINC000246174067 388017000 /nfs/dbraw/zinc/01/70/00/388017000.db2.gz OTRVUPVDFXMHFN-VXGBXAGGSA-N 1 2 249.358 2.604 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(C)(F)F ZINC000453292548 388036000 /nfs/dbraw/zinc/03/60/00/388036000.db2.gz OEZXJYLXHBZDSP-VHSXEESVSA-N 1 2 243.297 2.873 20 0 BFADLO CC(C)c1nc(NCC2(C(C)C)CC2)cc[nH+]1 ZINC000440188191 388036020 /nfs/dbraw/zinc/03/60/20/388036020.db2.gz FBGORGIOEFGXQK-UHFFFAOYSA-N 1 2 233.359 2.870 20 0 BFADLO CC(C)(CO)CNc1ccc2ccccc2[nH+]1 ZINC000082711400 388040182 /nfs/dbraw/zinc/04/01/82/388040182.db2.gz YWKNPGLTSAYYMZ-UHFFFAOYSA-N 1 2 230.311 2.665 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)CCC2CC2)[nH+]1 ZINC000446887367 388043362 /nfs/dbraw/zinc/04/33/62/388043362.db2.gz RPJOCVQXNLMYDN-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO CO[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000440670087 388065228 /nfs/dbraw/zinc/06/52/28/388065228.db2.gz MVCQUDVRLGXRCE-VXGBXAGGSA-N 1 2 249.358 2.604 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000645897888 388067147 /nfs/dbraw/zinc/06/71/47/388067147.db2.gz BBABIOVIDGKXEA-RYUDHWBXSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC000645897888 388067150 /nfs/dbraw/zinc/06/71/50/388067150.db2.gz BBABIOVIDGKXEA-RYUDHWBXSA-N 1 2 247.329 2.923 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2ncccn2)CC1 ZINC000645980668 388114669 /nfs/dbraw/zinc/11/46/69/388114669.db2.gz AKMKJCZUKKENJU-UHFFFAOYSA-N 1 2 239.322 2.564 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(F)c1 ZINC000085182976 388084802 /nfs/dbraw/zinc/08/48/02/388084802.db2.gz LPCYDIYDYCUMQM-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO COc1cc(C[NH2+]Cc2cc(C)on2)ccc1C ZINC000447822186 388095640 /nfs/dbraw/zinc/09/56/40/388095640.db2.gz OVCKESNTFSNGJW-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Clc1ccccc1C1([NH2+]Cc2cc[nH]n2)CC1 ZINC000645978414 388114056 /nfs/dbraw/zinc/11/40/56/388114056.db2.gz LIGJYOZLYPYALW-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO CCn1c2ccccc2nc1C[N@@H+]1CC[C@H](F)C1 ZINC000648720689 388157727 /nfs/dbraw/zinc/15/77/27/388157727.db2.gz ZSOGTWIYAAPKSF-NSHDSACASA-N 1 2 247.317 2.600 20 0 BFADLO CCn1c2ccccc2nc1C[N@H+]1CC[C@H](F)C1 ZINC000648720689 388157729 /nfs/dbraw/zinc/15/77/29/388157729.db2.gz ZSOGTWIYAAPKSF-NSHDSACASA-N 1 2 247.317 2.600 20 0 BFADLO Cc1cn2c([nH+]1)CN(Cc1ccsc1C)CC2 ZINC000646156362 388157782 /nfs/dbraw/zinc/15/77/82/388157782.db2.gz WMHOSZCIIJOEGM-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000449379968 388187736 /nfs/dbraw/zinc/18/77/36/388187736.db2.gz LFTUGNUFEUYLKA-UHFFFAOYSA-N 1 2 242.244 2.704 20 0 BFADLO CC(C)n1cc[nH+]c1CN(C)Cc1ccco1 ZINC000195513882 388165450 /nfs/dbraw/zinc/16/54/50/388165450.db2.gz YFOMNAWNDOICKC-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO Cc1cccc(CC[NH2+]C2(C(F)F)CC2)c1 ZINC000449308627 388170682 /nfs/dbraw/zinc/17/06/82/388170682.db2.gz YOOHMUPJFYOUNG-UHFFFAOYSA-N 1 2 225.282 2.925 20 0 BFADLO CCc1cc(OC)ccc1C[NH2+]C(CF)CF ZINC000449378911 388188209 /nfs/dbraw/zinc/18/82/09/388188209.db2.gz GNYRVWUJXVXPNJ-UHFFFAOYSA-N 1 2 243.297 2.655 20 0 BFADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645909678 388177236 /nfs/dbraw/zinc/17/72/36/388177236.db2.gz TYICTFBYVQQQTE-GXSJLCMTSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CC1=CCCC1 ZINC000645909678 388177238 /nfs/dbraw/zinc/17/72/38/388177238.db2.gz TYICTFBYVQQQTE-GXSJLCMTSA-N 1 2 249.276 2.748 20 0 BFADLO CC[C@H]([NH2+]Cc1cnn(CC(C)C)c1)C(F)F ZINC000449364776 388183292 /nfs/dbraw/zinc/18/32/92/388183292.db2.gz TXHNEBACOHILEI-NSHDSACASA-N 1 2 245.317 2.672 20 0 BFADLO CCCOc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449372692 388184730 /nfs/dbraw/zinc/18/47/30/388184730.db2.gz KTRZQAQJUYQKCS-UHFFFAOYSA-N 1 2 243.297 2.873 20 0 BFADLO CC(C)Oc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449374195 388185838 /nfs/dbraw/zinc/18/58/38/388185838.db2.gz XXPAXTWVXVNCCB-UHFFFAOYSA-N 1 2 243.297 2.871 20 0 BFADLO CC[N@H+](Cc1ccccn1)Cc1ccncc1F ZINC000449028787 388133438 /nfs/dbraw/zinc/13/34/38/388133438.db2.gz OVFKPIGEMYJDER-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccccn1)Cc1ccncc1F ZINC000449028787 388133440 /nfs/dbraw/zinc/13/34/40/388133440.db2.gz OVFKPIGEMYJDER-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Cc1cc(NC(=O)NC(C)(C)C(C)(C)C)cc[nH+]1 ZINC000455033242 388145828 /nfs/dbraw/zinc/14/58/28/388145828.db2.gz DFOLWWPYEYMLFG-UHFFFAOYSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000449159034 388150505 /nfs/dbraw/zinc/15/05/05/388150505.db2.gz WXNBADWWHUDCCQ-LBPRGKRZSA-N 1 2 234.343 2.823 20 0 BFADLO FCC(CF)[NH2+]Cc1cc(Cl)cs1 ZINC000449382508 388189833 /nfs/dbraw/zinc/18/98/33/388189833.db2.gz XHRGASVNAOFPLK-UHFFFAOYSA-N 1 2 225.691 2.799 20 0 BFADLO COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](F)C1 ZINC000449387863 388190983 /nfs/dbraw/zinc/19/09/83/388190983.db2.gz NETRNONHUQIIMP-LLVKDONJSA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(Cl)cc1C[N@H+]1CC[C@@H](F)C1 ZINC000449387863 388190985 /nfs/dbraw/zinc/19/09/85/388190985.db2.gz NETRNONHUQIIMP-LLVKDONJSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cccc(Cl)c1C[N@@H+]1CC[C@H](F)C1 ZINC000449388356 388192041 /nfs/dbraw/zinc/19/20/41/388192041.db2.gz OSPKQVOFOJBEID-VIFPVBQESA-N 1 2 243.709 2.892 20 0 BFADLO COc1cccc(Cl)c1C[N@H+]1CC[C@H](F)C1 ZINC000449388356 388192043 /nfs/dbraw/zinc/19/20/43/388192043.db2.gz OSPKQVOFOJBEID-VIFPVBQESA-N 1 2 243.709 2.892 20 0 BFADLO FC(F)Oc1ccccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000449390066 388192194 /nfs/dbraw/zinc/19/21/94/388192194.db2.gz VCABPIFRJMDSQP-SNVBAGLBSA-N 1 2 245.244 2.832 20 0 BFADLO FC(F)Oc1ccccc1C[N@H+]1CC[C@@H](F)C1 ZINC000449390066 388192195 /nfs/dbraw/zinc/19/21/95/388192195.db2.gz VCABPIFRJMDSQP-SNVBAGLBSA-N 1 2 245.244 2.832 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1F ZINC000449398281 388194494 /nfs/dbraw/zinc/19/44/94/388194494.db2.gz XLLXEEPSMTYFFQ-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@@H](F)C2)c1F ZINC000449398281 388194495 /nfs/dbraw/zinc/19/44/95/388194495.db2.gz XLLXEEPSMTYFFQ-LLVKDONJSA-N 1 2 211.255 2.678 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1=CCCCC1 ZINC000456353486 388197046 /nfs/dbraw/zinc/19/70/46/388197046.db2.gz MOQJKSVHMCIMER-NSHDSACASA-N 1 2 247.342 2.581 20 0 BFADLO CCCCCC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456371102 388197449 /nfs/dbraw/zinc/19/74/49/388197449.db2.gz DZOPWAHIRNGTLB-NSHDSACASA-N 1 2 237.347 2.661 20 0 BFADLO CCCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456398827 388199568 /nfs/dbraw/zinc/19/95/68/388199568.db2.gz UOZPYJNLSSCYCI-WDEREUQCSA-N 1 2 235.331 2.585 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456418618 388200453 /nfs/dbraw/zinc/20/04/53/388200453.db2.gz LIYJQZPDIYVRRI-SRVKXCTJSA-N 1 2 249.358 2.831 20 0 BFADLO CC(C)CCCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456434479 388200893 /nfs/dbraw/zinc/20/08/93/388200893.db2.gz UVEYXYPWFJTSOP-NEPJUHHUSA-N 1 2 249.358 2.831 20 0 BFADLO CC(C)c1nc(N2CC[C@@H]2C(C)C)cc[nH+]1 ZINC000450815254 388259339 /nfs/dbraw/zinc/25/93/39/388259339.db2.gz SDWIOILRFFNUHF-LLVKDONJSA-N 1 2 219.332 2.835 20 0 BFADLO Cc1cc(C)c(CNC(=O)CCC2CC2)c[nH+]1 ZINC000456838291 388226164 /nfs/dbraw/zinc/22/61/64/388226164.db2.gz LXRSLOFZPLJPPM-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO Cc1cc(C)c(CNC(=O)C(C)(C)C2CC2)c[nH+]1 ZINC000456846840 388227616 /nfs/dbraw/zinc/22/76/16/388227616.db2.gz TYFMJBUSLAXRAB-UHFFFAOYSA-N 1 2 246.354 2.751 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456842556 388227656 /nfs/dbraw/zinc/22/76/56/388227656.db2.gz PWRZGCFIWYZBSN-GWCFXTLKSA-N 1 2 248.370 2.997 20 0 BFADLO CCC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456857943 388227845 /nfs/dbraw/zinc/22/78/45/388227845.db2.gz LJBXTSRVUJOZSR-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO CCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456857314 388228199 /nfs/dbraw/zinc/22/81/99/388228199.db2.gz KSHHJIFKCQYZBR-UHFFFAOYSA-N 1 2 220.316 2.505 20 0 BFADLO Cc1cc(C)c(CNC(=O)CC2CCCC2)c[nH+]1 ZINC000456864852 388229299 /nfs/dbraw/zinc/22/92/99/388229299.db2.gz STSIMRUHIZCELT-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2nccn2CC)o1 ZINC000449562134 388232732 /nfs/dbraw/zinc/23/27/32/388232732.db2.gz HIIXUGYJLSSOAW-LLVKDONJSA-N 1 2 247.342 2.909 20 0 BFADLO C/C=C(/C=C/C(=O)N[C@@H](CC)c1[nH]cc[nH+]1)CC ZINC000492006423 388331457 /nfs/dbraw/zinc/33/14/57/388331457.db2.gz VIFFTWJMIAJRFY-ADCLOINOSA-N 1 2 247.342 2.890 20 0 BFADLO Cc1cc(C)c(NC(=O)/C=C/C2CC2)c(C)[nH+]1 ZINC000491933480 388328528 /nfs/dbraw/zinc/32/85/28/388328528.db2.gz BXFBORCWCCMMTB-VOTSOKGWSA-N 1 2 230.311 2.912 20 0 BFADLO CC(C)(C)OC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451462260 388276094 /nfs/dbraw/zinc/27/60/94/388276094.db2.gz CJDKRBLRWTVUJV-LLVKDONJSA-N 1 2 239.359 2.641 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275755307 388345577 /nfs/dbraw/zinc/34/55/77/388345577.db2.gz SJLSKQAUFUXOQX-VXGBXAGGSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccc2C)no1 ZINC000193425915 388347862 /nfs/dbraw/zinc/34/78/62/388347862.db2.gz SHYNLJXEHLJENU-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccc2C)no1 ZINC000193425915 388347863 /nfs/dbraw/zinc/34/78/63/388347863.db2.gz SHYNLJXEHLJENU-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]C[C@H](C)CC)c1ccccc1 ZINC000233681628 388347957 /nfs/dbraw/zinc/34/79/57/388347957.db2.gz WPQCRHWNAACTFX-OCCSQVGLSA-N 1 2 249.354 2.927 20 0 BFADLO CC1(C)SC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000276413894 388348214 /nfs/dbraw/zinc/34/82/14/388348214.db2.gz HWEHAOSXBJISRN-SECBINFHSA-N 1 2 235.356 2.660 20 0 BFADLO COc1ccc2[nH+]c(N3CCCC3)ccc2c1 ZINC000193509214 388364491 /nfs/dbraw/zinc/36/44/91/388364491.db2.gz PSNUAKUZRWRPEO-UHFFFAOYSA-N 1 2 228.295 2.844 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000572907303 388386949 /nfs/dbraw/zinc/38/69/49/388386949.db2.gz KGJOKPBMSHIJBI-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000572907303 388386952 /nfs/dbraw/zinc/38/69/52/388386952.db2.gz KGJOKPBMSHIJBI-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1ccc(F)c(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294067138 388393637 /nfs/dbraw/zinc/39/36/37/388393637.db2.gz KOBOYGLMGUDFNK-LLVKDONJSA-N 1 2 231.274 2.888 20 0 BFADLO CC=C(C=CC(=O)Nc1cc[nH+]c(C)c1)CC ZINC000492152657 388336592 /nfs/dbraw/zinc/33/65/92/388336592.db2.gz DHNFZTRFAJVDEK-GJQNCLFESA-N 1 2 230.311 2.663 20 0 BFADLO C[N@H+](CCCO)Cc1c(Cl)cccc1Cl ZINC000299357462 388441317 /nfs/dbraw/zinc/44/13/17/388441317.db2.gz IEFMFSGQJGTROU-UHFFFAOYSA-N 1 2 248.153 2.808 20 0 BFADLO C[N@@H+](CCCO)Cc1c(Cl)cccc1Cl ZINC000299357462 388441319 /nfs/dbraw/zinc/44/13/19/388441319.db2.gz IEFMFSGQJGTROU-UHFFFAOYSA-N 1 2 248.153 2.808 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CSC(C)C ZINC000515349095 256741898 /nfs/dbraw/zinc/74/18/98/256741898.db2.gz SISLOBFLUQYGPX-UHFFFAOYSA-N 1 2 238.356 2.779 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2c(c1)CCCC2 ZINC000336207521 388456203 /nfs/dbraw/zinc/45/62/03/388456203.db2.gz WIAKFWQKNYHEMU-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO C[C@@H](Cc1ccncc1)Nc1cccc[nH+]1 ZINC000336722291 388469218 /nfs/dbraw/zinc/46/92/18/388469218.db2.gz ARHXIVORZPOXEG-NSHDSACASA-N 1 2 213.284 2.520 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000242988581 388476317 /nfs/dbraw/zinc/47/63/17/388476317.db2.gz HSPJEKKLBXDLIW-NEPJUHHUSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000242988581 388476318 /nfs/dbraw/zinc/47/63/18/388476318.db2.gz HSPJEKKLBXDLIW-NEPJUHHUSA-N 1 2 248.374 2.923 20 0 BFADLO Cc1ccc(N[C@H]2CSC[C@@H]2C)c(C)[nH+]1 ZINC000295686344 388413645 /nfs/dbraw/zinc/41/36/45/388413645.db2.gz LIPJKRWYBCNIFQ-UFBFGSQYSA-N 1 2 222.357 2.862 20 0 BFADLO CCCC[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000001614540 388431691 /nfs/dbraw/zinc/43/16/91/388431691.db2.gz QXLIYDWLMWXTOE-CYBMUJFWSA-N 1 2 235.327 2.681 20 0 BFADLO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccoc1 ZINC000167227172 388439047 /nfs/dbraw/zinc/43/90/47/388439047.db2.gz OJSQXKCLTTZZNU-RYUDHWBXSA-N 1 2 224.348 2.661 20 0 BFADLO Cc1cc(NC(=O)C[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000516379512 256774698 /nfs/dbraw/zinc/77/46/98/256774698.db2.gz PXCQDNIDQMMWAD-WCQYABFASA-N 1 2 246.354 2.967 20 0 BFADLO Fc1cc(F)cc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000517240251 388544499 /nfs/dbraw/zinc/54/44/99/388544499.db2.gz BRQMGKOCAVQWTG-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1cc(F)cc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000517240251 388544500 /nfs/dbraw/zinc/54/45/00/388544500.db2.gz BRQMGKOCAVQWTG-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc2c(c1)CCCN2 ZINC000517326712 388546881 /nfs/dbraw/zinc/54/68/81/388546881.db2.gz PSIMNWMGLFPNAB-NSHDSACASA-N 1 2 234.343 2.739 20 0 BFADLO COC[C@@H](C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000517326712 388546882 /nfs/dbraw/zinc/54/68/82/388546882.db2.gz PSIMNWMGLFPNAB-NSHDSACASA-N 1 2 234.343 2.739 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000078346460 388498514 /nfs/dbraw/zinc/49/85/14/388498514.db2.gz FXKVLNSOBCDTJD-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)[C@H](C)CO1 ZINC000078346460 388498517 /nfs/dbraw/zinc/49/85/17/388498517.db2.gz FXKVLNSOBCDTJD-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000078346463 388498893 /nfs/dbraw/zinc/49/88/93/388498893.db2.gz FXKVLNSOBCDTJD-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000078346463 388498896 /nfs/dbraw/zinc/49/88/96/388498896.db2.gz FXKVLNSOBCDTJD-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)CS1 ZINC000397881784 388508903 /nfs/dbraw/zinc/50/89/03/388508903.db2.gz ZCRJDTPBIFREDZ-PWSUYJOCSA-N 1 2 244.363 2.963 20 0 BFADLO C[C@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)CS1 ZINC000397881783 388509078 /nfs/dbraw/zinc/50/90/78/388509078.db2.gz ZCRJDTPBIFREDZ-JQWIXIFHSA-N 1 2 244.363 2.963 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc2cc[nH]c21 ZINC000548140011 388517097 /nfs/dbraw/zinc/51/70/97/388517097.db2.gz WZLOVVVWWQHCFM-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ncccc2Cl)C[C@H]1F ZINC000528438334 388526660 /nfs/dbraw/zinc/52/66/60/388526660.db2.gz JOANNWNWTGAYRF-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@H]1F ZINC000528438334 388526661 /nfs/dbraw/zinc/52/66/61/388526661.db2.gz JOANNWNWTGAYRF-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1nnsc1C[N@H+](C)Cc1cccs1 ZINC000516973760 388530050 /nfs/dbraw/zinc/53/00/50/388530050.db2.gz YIZJRUAYUGIDFQ-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1nnsc1C[N@@H+](C)Cc1cccs1 ZINC000516973760 388530052 /nfs/dbraw/zinc/53/00/52/388530052.db2.gz YIZJRUAYUGIDFQ-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCc2ncsc2C1 ZINC000528474675 388531594 /nfs/dbraw/zinc/53/15/94/388531594.db2.gz QKUZTJFCHUXQHH-KRXBUXKQSA-N 1 2 228.748 2.644 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCc2ncsc2C1 ZINC000528474675 388531596 /nfs/dbraw/zinc/53/15/96/388531596.db2.gz QKUZTJFCHUXQHH-KRXBUXKQSA-N 1 2 228.748 2.644 20 0 BFADLO COc1cc[nH+]cc1NCc1cc(O)cc(F)c1 ZINC000185601492 388589415 /nfs/dbraw/zinc/58/94/15/388589415.db2.gz UDYNPSKKPXMGGT-UHFFFAOYSA-N 1 2 248.257 2.547 20 0 BFADLO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000517626341 388555750 /nfs/dbraw/zinc/55/57/50/388555750.db2.gz CPLWRHNCTAPNRM-NWDGAFQWSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000517626341 388555753 /nfs/dbraw/zinc/55/57/53/388555753.db2.gz CPLWRHNCTAPNRM-NWDGAFQWSA-N 1 2 247.329 2.780 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccncc2C)C1 ZINC000517705354 388557117 /nfs/dbraw/zinc/55/71/17/388557117.db2.gz HUCFNUJTURJSLT-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO Clc1cccc2c1CC[C@@H]2[NH+]1CCOCC1 ZINC000130518886 388559931 /nfs/dbraw/zinc/55/99/31/388559931.db2.gz ZAWKXFOZAFLNTG-ZDUSSCGKSA-N 1 2 237.730 2.660 20 0 BFADLO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(F)F)CC2 ZINC000550883239 388616239 /nfs/dbraw/zinc/61/62/39/388616239.db2.gz WUPZCGXFLTZJEX-GFCCVEGCSA-N 1 2 241.281 2.927 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000247486697 388664957 /nfs/dbraw/zinc/66/49/57/388664957.db2.gz KPVDYWMYJLTKQF-PWSUYJOCSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000247486697 388664958 /nfs/dbraw/zinc/66/49/58/388664958.db2.gz KPVDYWMYJLTKQF-PWSUYJOCSA-N 1 2 247.342 2.712 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000246725541 388650452 /nfs/dbraw/zinc/65/04/52/388650452.db2.gz LVWJPBJNAHVVNK-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H](C)[C@H]2C)no1 ZINC000246725541 388650455 /nfs/dbraw/zinc/65/04/55/388650455.db2.gz LVWJPBJNAHVVNK-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccoc1 ZINC000247044382 388657661 /nfs/dbraw/zinc/65/76/61/388657661.db2.gz OJSQXKCLTTZZNU-NWDGAFQWSA-N 1 2 224.348 2.661 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnoc2C)o1 ZINC000128225179 388741034 /nfs/dbraw/zinc/74/10/34/388741034.db2.gz ZGLDMJFRSGFBMF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnoc2C)o1 ZINC000128225179 388741035 /nfs/dbraw/zinc/74/10/35/388741035.db2.gz ZGLDMJFRSGFBMF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cnoc1C ZINC000128353644 388751610 /nfs/dbraw/zinc/75/16/10/388751610.db2.gz AIYBWDDTPHLUDE-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cnoc1C ZINC000128353644 388751612 /nfs/dbraw/zinc/75/16/12/388751612.db2.gz AIYBWDDTPHLUDE-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C2CC2)CC1 ZINC000195216073 388700951 /nfs/dbraw/zinc/70/09/51/388700951.db2.gz UMEJSYJELXXVQZ-LBPRGKRZSA-N 1 2 248.345 2.667 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1cncc(F)c1 ZINC000127383749 388722012 /nfs/dbraw/zinc/72/20/12/388722012.db2.gz PTRKIXGAISHWPB-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1cc(NC[C@H]2CC2(C)C)nc(C2CC2)[nH+]1 ZINC000341482475 177708109 /nfs/dbraw/zinc/70/81/09/177708109.db2.gz IWAOPJDUOLUIMH-LLVKDONJSA-N 1 2 231.343 2.542 20 0 BFADLO CC1(C)C[N@H+](CC2(F)CC2)[C@H]1c1cccnc1 ZINC000555687227 388859724 /nfs/dbraw/zinc/85/97/24/388859724.db2.gz RIURTKQPSONWLB-LBPRGKRZSA-N 1 2 234.318 2.967 20 0 BFADLO CC1(C)C[N@@H+](CC2(F)CC2)[C@H]1c1cccnc1 ZINC000555687227 388859729 /nfs/dbraw/zinc/85/97/29/388859729.db2.gz RIURTKQPSONWLB-LBPRGKRZSA-N 1 2 234.318 2.967 20 0 BFADLO Cn1cc[nH+]c1CNc1cc(F)ccc1Cl ZINC000229722325 388864204 /nfs/dbraw/zinc/86/42/04/388864204.db2.gz ISGGTLKDACEENO-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1c[nH+]c(C)nc1NC1CC(C(F)(F)F)C1 ZINC000564469826 388875646 /nfs/dbraw/zinc/87/56/46/388875646.db2.gz IDCMRTTWBQXZGR-UHFFFAOYSA-N 1 2 245.248 2.846 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)[C@@H](C)C1 ZINC000565227727 388929599 /nfs/dbraw/zinc/92/95/99/388929599.db2.gz CWPMIEGGHWLTCQ-KOLCDFICSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cn2ccsc2n1 ZINC000266240025 388994982 /nfs/dbraw/zinc/99/49/82/388994982.db2.gz WQZCPDGSJPWEFN-UHFFFAOYSA-N 1 2 247.323 2.587 20 0 BFADLO Cc1nc(N2CCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301457327 132254099 /nfs/dbraw/zinc/25/40/99/132254099.db2.gz XDAZAWPPBFVBQK-VIFPVBQESA-N 1 2 219.332 2.638 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000273602737 389042498 /nfs/dbraw/zinc/04/24/98/389042498.db2.gz LRBPATRXHBTVCL-BDAKNGLRSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H]1CCCC[C@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493280622 533632652 /nfs/dbraw/zinc/63/26/52/533632652.db2.gz BEBUMLAIFUXMBC-PYUFGIJQSA-N 1 2 247.342 2.508 20 0 BFADLO c1cc([C@H]2CN(c3cccc[nH+]3)CCO2)cs1 ZINC000268220542 132191912 /nfs/dbraw/zinc/19/19/12/132191912.db2.gz RAJDNZPVYRYLGA-GFCCVEGCSA-N 1 2 246.335 2.721 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301453325 132254081 /nfs/dbraw/zinc/25/40/81/132254081.db2.gz VFOPMQMXXDXTRT-NXEZZACHSA-N 1 2 233.359 2.884 20 0 BFADLO CC[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301478254 132254166 /nfs/dbraw/zinc/25/41/66/132254166.db2.gz URKZJTAMZRKPMJ-CYBMUJFWSA-N 1 2 219.332 2.802 20 0 BFADLO CCC[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301615040 132255530 /nfs/dbraw/zinc/25/55/30/132255530.db2.gz ISDQXFMEDWRXMZ-GFCCVEGCSA-N 1 2 219.332 2.802 20 0 BFADLO CO[C@]1(C)CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000359747944 132277611 /nfs/dbraw/zinc/27/76/11/132277611.db2.gz PSPJLQDYMWBVAN-CQSZACIVSA-N 1 2 249.358 2.605 20 0 BFADLO c1ccc(N2CCC[C@H](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000367384303 132280284 /nfs/dbraw/zinc/28/02/84/132280284.db2.gz NDGNOTHOLLWHIK-KGLIPLIRSA-N 1 2 246.354 2.725 20 0 BFADLO CCc1[nH+]c2ccccc2n1CC1(O)CCC1 ZINC000335770364 133898825 /nfs/dbraw/zinc/89/88/25/133898825.db2.gz JGSUJFSWRNLOPM-UHFFFAOYSA-N 1 2 230.311 2.514 20 0 BFADLO Cc1cc(N2CCc3sccc3[C@H]2C)nc[nH+]1 ZINC000335963298 134027431 /nfs/dbraw/zinc/02/74/31/134027431.db2.gz GXKDZNWLKCBUEM-SNVBAGLBSA-N 1 2 245.351 2.970 20 0 BFADLO Cc1nc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cs1 ZINC000335965827 134028150 /nfs/dbraw/zinc/02/81/50/134028150.db2.gz JZRWYIABDLIBIR-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO c1ccc(CNc2c[nH+]c3c(c2)CCCC3)nc1 ZINC000335976032 134031375 /nfs/dbraw/zinc/03/13/75/134031375.db2.gz ZIVWEQZABUZVAL-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO Oc1ccc(F)c(C[NH2+]Cc2ccco2)c1F ZINC000351992475 134031932 /nfs/dbraw/zinc/03/19/32/134031932.db2.gz CWNWIOQVKRBBOF-UHFFFAOYSA-N 1 2 239.221 2.553 20 0 BFADLO Oc1ccc(F)c(C[NH2+]Cc2ccccc2)c1F ZINC000352006919 134035032 /nfs/dbraw/zinc/03/50/32/134035032.db2.gz WAQMQEWSZIRUKV-UHFFFAOYSA-N 1 2 249.260 2.960 20 0 BFADLO Cc1ccc(NC(=O)N2[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000336050672 134064818 /nfs/dbraw/zinc/06/48/18/134064818.db2.gz RMQBHIWXRRBNGK-NXEZZACHSA-N 1 2 233.315 2.713 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000336110013 134086063 /nfs/dbraw/zinc/08/60/63/134086063.db2.gz HVKREMCKUFUHQC-NWDGAFQWSA-N 1 2 248.374 2.693 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)n[nH]1 ZINC000336110013 134086064 /nfs/dbraw/zinc/08/60/64/134086064.db2.gz HVKREMCKUFUHQC-NWDGAFQWSA-N 1 2 248.374 2.693 20 0 BFADLO Cc1cc(N2CC3(CCC3)C[C@@H]2C)nc[nH+]1 ZINC000336138204 134096840 /nfs/dbraw/zinc/09/68/40/134096840.db2.gz GZZRYIGSLMLIFQ-NSHDSACASA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(C)c(NC(=O)NC(C)C)c(C)[nH+]1 ZINC000336145196 134101837 /nfs/dbraw/zinc/10/18/37/134101837.db2.gz UWSQTEOIRCHDBI-UHFFFAOYSA-N 1 2 221.304 2.537 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352213303 134108550 /nfs/dbraw/zinc/10/85/50/134108550.db2.gz UOALFDWWTYHDQL-LLVKDONJSA-N 1 2 247.342 2.512 20 0 BFADLO c1nnc([C@H]2CCCC[N@H+]2CC2=CCCCC2)[nH]1 ZINC000336199544 134128506 /nfs/dbraw/zinc/12/85/06/134128506.db2.gz IXEADBWVYZYGNJ-CYBMUJFWSA-N 1 2 246.358 2.832 20 0 BFADLO c1nnc([C@H]2CCCC[N@@H+]2CC2=CCCCC2)[nH]1 ZINC000336199544 134128507 /nfs/dbraw/zinc/12/85/07/134128507.db2.gz IXEADBWVYZYGNJ-CYBMUJFWSA-N 1 2 246.358 2.832 20 0 BFADLO Cc1cnn(Cc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000174166186 134279590 /nfs/dbraw/zinc/27/95/90/134279590.db2.gz NDGSJNPJDMMGBM-UHFFFAOYSA-N 1 2 246.701 2.541 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1ccccc1F ZINC000175427347 134287147 /nfs/dbraw/zinc/28/71/47/134287147.db2.gz FXMUWXCXKRLTSV-UHFFFAOYSA-N 1 2 218.275 2.786 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccccc1F ZINC000175427347 134287148 /nfs/dbraw/zinc/28/71/48/134287148.db2.gz FXMUWXCXKRLTSV-UHFFFAOYSA-N 1 2 218.275 2.786 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000219740939 134290991 /nfs/dbraw/zinc/29/09/91/134290991.db2.gz XRYSSULSFHJYHC-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000219740939 134290992 /nfs/dbraw/zinc/29/09/92/134290992.db2.gz XRYSSULSFHJYHC-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000177873930 134303900 /nfs/dbraw/zinc/30/39/00/134303900.db2.gz ILVGKBMZUKXGSL-VHSXEESVSA-N 1 2 237.347 2.597 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000177873930 134303901 /nfs/dbraw/zinc/30/39/01/134303901.db2.gz ILVGKBMZUKXGSL-VHSXEESVSA-N 1 2 237.347 2.597 20 0 BFADLO Cc1nc(C[N@H+](C)CCCC2CCCC2)no1 ZINC000181688522 134338545 /nfs/dbraw/zinc/33/85/45/134338545.db2.gz SONCWNXSXWATOP-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1nc(C[N@@H+](C)CCCC2CCCC2)no1 ZINC000181688522 134338546 /nfs/dbraw/zinc/33/85/46/134338546.db2.gz SONCWNXSXWATOP-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO CCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000059020268 134391823 /nfs/dbraw/zinc/39/18/23/134391823.db2.gz WNMBNKZKAZDNMG-UHFFFAOYSA-N 1 2 229.283 2.611 20 0 BFADLO COC(=O)[C@H]([NH2+][C@H](C)c1ccc(C)cc1)C1CC1 ZINC000227768867 134392899 /nfs/dbraw/zinc/39/28/99/134392899.db2.gz OYQGREIWEHERQQ-BXUZGUMPSA-N 1 2 247.338 2.597 20 0 BFADLO CCOC[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000227900821 134398625 /nfs/dbraw/zinc/39/86/25/134398625.db2.gz JTDHLYOXBGXUMX-LLVKDONJSA-N 1 2 243.297 2.793 20 0 BFADLO c1csc(-c2cnc(Cn3cc[nH+]c3)o2)c1 ZINC000067376153 134891153 /nfs/dbraw/zinc/89/11/53/134891153.db2.gz SGMKHVCETRUTGK-UHFFFAOYSA-N 1 2 231.280 2.648 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000072672385 134936007 /nfs/dbraw/zinc/93/60/07/134936007.db2.gz LRYUHHVTPLIFAA-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1noc(C2CC2)n1 ZINC000076149575 135013643 /nfs/dbraw/zinc/01/36/43/135013643.db2.gz LQFVDTDVKVTUOO-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1noc(C2CC2)n1 ZINC000076149575 135013645 /nfs/dbraw/zinc/01/36/45/135013645.db2.gz LQFVDTDVKVTUOO-VHSXEESVSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)no1 ZINC000077170927 135057920 /nfs/dbraw/zinc/05/79/20/135057920.db2.gz RXKOZPBRRGXHEO-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)no1 ZINC000077170927 135057921 /nfs/dbraw/zinc/05/79/21/135057921.db2.gz RXKOZPBRRGXHEO-CYBMUJFWSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2csc(C)n2)o1 ZINC000078299866 135118457 /nfs/dbraw/zinc/11/84/57/135118457.db2.gz HPOQCQKMBSBFMS-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2csc(C)n2)o1 ZINC000078299866 135118458 /nfs/dbraw/zinc/11/84/58/135118458.db2.gz HPOQCQKMBSBFMS-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1C ZINC000270942206 135174025 /nfs/dbraw/zinc/17/40/25/135174025.db2.gz KABXDQYWUZCSSP-WDEREUQCSA-N 1 2 231.343 2.836 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H]2CCc3ccccc32)n1 ZINC000334164679 135322944 /nfs/dbraw/zinc/32/29/44/135322944.db2.gz AFCYKMJKNKSWSJ-TVQRCGJNSA-N 1 2 243.310 2.716 20 0 BFADLO Cc1cccn2c(C[N@@H+]3CC[C@@](C)(F)C3)cnc12 ZINC000334166307 135323652 /nfs/dbraw/zinc/32/36/52/135323652.db2.gz ACMGVAMEFQLXSJ-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(C[N@H+]3CC[C@@](C)(F)C3)cnc12 ZINC000334166307 135323653 /nfs/dbraw/zinc/32/36/53/135323653.db2.gz ACMGVAMEFQLXSJ-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccn2c(CN3CC[C@@](C)(F)C3)c[nH+]c12 ZINC000334166307 135323654 /nfs/dbraw/zinc/32/36/54/135323654.db2.gz ACMGVAMEFQLXSJ-CQSZACIVSA-N 1 2 247.317 2.577 20 0 BFADLO CSc1ccccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000334342108 135364726 /nfs/dbraw/zinc/36/47/26/135364726.db2.gz KCQKZWCCWVGERD-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO CSc1ccccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000334342108 135364727 /nfs/dbraw/zinc/36/47/27/135364727.db2.gz KCQKZWCCWVGERD-LLVKDONJSA-N 1 2 249.379 2.819 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000334385942 135381821 /nfs/dbraw/zinc/38/18/21/135381821.db2.gz NOHXYZKBRVPQFX-ZDUSSCGKSA-N 1 2 234.274 2.762 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000334385942 135381823 /nfs/dbraw/zinc/38/18/23/135381823.db2.gz NOHXYZKBRVPQFX-ZDUSSCGKSA-N 1 2 234.274 2.762 20 0 BFADLO Cc1ccc(NC(=O)C[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000334406790 135394033 /nfs/dbraw/zinc/39/40/33/135394033.db2.gz HZISZVPTWSKILF-KWQFWETISA-N 1 2 218.300 2.683 20 0 BFADLO Cc1nocc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000334419539 135399625 /nfs/dbraw/zinc/39/96/25/135399625.db2.gz SJFOEUMJUKYTIU-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1nocc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000334419539 135399627 /nfs/dbraw/zinc/39/96/27/135399627.db2.gz SJFOEUMJUKYTIU-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO Cc1nc(N2Cc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000334443215 135408553 /nfs/dbraw/zinc/40/85/53/135408553.db2.gz CTTBLOPNORIOML-JTQLQIEISA-N 1 2 225.295 2.866 20 0 BFADLO Cc1nc(N2Cc3ccccc3[C@H]2C)cc[nH+]1 ZINC000334443217 135408602 /nfs/dbraw/zinc/40/86/02/135408602.db2.gz CTTBLOPNORIOML-SNVBAGLBSA-N 1 2 225.295 2.866 20 0 BFADLO c1coc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000085172790 135480079 /nfs/dbraw/zinc/48/00/79/135480079.db2.gz WNLRXCAVTDGLRN-UHFFFAOYSA-N 1 2 245.326 2.881 20 0 BFADLO Cc1cc2[nH+]cn(CC3(O)CCCC3)c2cc1C ZINC000087463989 135506804 /nfs/dbraw/zinc/50/68/04/135506804.db2.gz UVBSMJCITPQYNX-UHFFFAOYSA-N 1 2 244.338 2.958 20 0 BFADLO Cc1cc(C[NH2+]Cc2cccc(F)c2F)no1 ZINC000044724766 322843468 /nfs/dbraw/zinc/84/34/68/322843468.db2.gz CCHSPMSWBLMHHR-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccco1 ZINC000347689740 136005515 /nfs/dbraw/zinc/00/55/15/136005515.db2.gz SIWUWYDCBIJUQX-UHFFFAOYSA-N 1 2 241.241 2.503 20 0 BFADLO C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccco1 ZINC000347689740 136005516 /nfs/dbraw/zinc/00/55/16/136005516.db2.gz SIWUWYDCBIJUQX-UHFFFAOYSA-N 1 2 241.241 2.503 20 0 BFADLO CCC(C)(C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347940421 136019297 /nfs/dbraw/zinc/01/92/97/136019297.db2.gz RVVDQDAUJWRRRB-LLVKDONJSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000347948978 136020169 /nfs/dbraw/zinc/02/01/69/136020169.db2.gz AHKJVRWLTDFRAK-FZMZJTMJSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CC(C)C ZINC000335314174 136032102 /nfs/dbraw/zinc/03/21/02/136032102.db2.gz XJYMVFUUELAERM-UHFFFAOYSA-N 1 2 235.331 2.818 20 0 BFADLO CCC[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)OC ZINC000348176980 136042770 /nfs/dbraw/zinc/04/27/70/136042770.db2.gz XAMPDERJQSIABM-KBPBESRZSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000335350875 136068842 /nfs/dbraw/zinc/06/88/42/136068842.db2.gz LLCLREHEESNDEF-IUCAKERBSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)o1 ZINC000335350875 136068843 /nfs/dbraw/zinc/06/88/43/136068843.db2.gz LLCLREHEESNDEF-IUCAKERBSA-N 1 2 248.248 2.756 20 0 BFADLO OCC[N@H+](CCCC1CCCCC1)CC(F)F ZINC000348356866 136072921 /nfs/dbraw/zinc/07/29/21/136072921.db2.gz NNWFPGSMUSFQJP-UHFFFAOYSA-N 1 2 249.345 2.906 20 0 BFADLO OCC[N@@H+](CCCC1CCCCC1)CC(F)F ZINC000348356866 136072922 /nfs/dbraw/zinc/07/29/22/136072922.db2.gz NNWFPGSMUSFQJP-UHFFFAOYSA-N 1 2 249.345 2.906 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1CC2(CCC2)C1 ZINC000335361280 136080999 /nfs/dbraw/zinc/08/09/99/136080999.db2.gz RRCPKJRCCKMUCF-UHFFFAOYSA-N 1 2 246.310 2.609 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1CC2(CCC2)C1 ZINC000335374006 136084684 /nfs/dbraw/zinc/08/46/84/136084684.db2.gz GBIMWMYNLAMGED-UHFFFAOYSA-N 1 2 244.338 2.585 20 0 BFADLO CS[C@@H]1CC[C@H]1Nc1ccc[nH+]c1C ZINC000335557675 136099846 /nfs/dbraw/zinc/09/98/46/136099846.db2.gz ILCHFPNFLPXZBO-GHMZBOCLSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC2CCCCC2)[nH+]1 ZINC000348706102 136116569 /nfs/dbraw/zinc/11/65/69/136116569.db2.gz NRUDWLMRYOXXNK-UHFFFAOYSA-N 1 2 244.342 2.680 20 0 BFADLO CC1(C(=O)Nc2cccc3[nH+]ccn32)CCCC1 ZINC000266029050 397935013 /nfs/dbraw/zinc/93/50/13/397935013.db2.gz DIIFMKBBZHHXKK-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CC[C@@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000357412590 397936711 /nfs/dbraw/zinc/93/67/11/397936711.db2.gz BAYADKROMIKIIG-GFCCVEGCSA-N 1 2 233.359 2.562 20 0 BFADLO c1snnc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000336490520 397941848 /nfs/dbraw/zinc/94/18/48/397941848.db2.gz PBPMTNQIQUFWFB-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO c1snnc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000336490520 397941856 /nfs/dbraw/zinc/94/18/56/397941856.db2.gz PBPMTNQIQUFWFB-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO CCCCN(C)c1cc[nH+]c2ccncc21 ZINC000267248569 397944316 /nfs/dbraw/zinc/94/43/16/397944316.db2.gz UAKJRBXZBSFBJK-UHFFFAOYSA-N 1 2 215.300 2.866 20 0 BFADLO Cc1nc(C[N@H+](C)CCC(F)(F)F)cs1 ZINC000120529430 397996433 /nfs/dbraw/zinc/99/64/33/397996433.db2.gz RFXBSSASMJCDNQ-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO Cc1nc(C[N@@H+](C)CCC(F)(F)F)cs1 ZINC000120529430 397996439 /nfs/dbraw/zinc/99/64/39/397996439.db2.gz RFXBSSASMJCDNQ-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO CC(C)O[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000649697223 398045925 /nfs/dbraw/zinc/04/59/25/398045925.db2.gz BVEYJAGSLZADLO-LBPRGKRZSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)O[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000649697223 398045926 /nfs/dbraw/zinc/04/59/26/398045926.db2.gz BVEYJAGSLZADLO-LBPRGKRZSA-N 1 2 240.372 2.533 20 0 BFADLO CCc1cc[nH+]cc1NCc1c(C)nn(C)c1C ZINC000650242330 398004099 /nfs/dbraw/zinc/00/40/99/398004099.db2.gz HQSKRMZNQHUVEA-UHFFFAOYSA-N 1 2 244.342 2.606 20 0 BFADLO CCc1cc[nH+]cc1NCc1cscn1 ZINC000650243021 398004438 /nfs/dbraw/zinc/00/44/38/398004438.db2.gz HGORXRRYYZDKCD-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO CCc1ccc(CNc2cc(COC)cc[nH+]2)o1 ZINC000650243837 398006393 /nfs/dbraw/zinc/00/63/93/398006393.db2.gz RDSSZPACMRNSGH-UHFFFAOYSA-N 1 2 246.310 2.996 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1ccon1 ZINC000275483780 398021123 /nfs/dbraw/zinc/02/11/23/398021123.db2.gz OCMKCQHMOUESOY-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1ccon1 ZINC000275483780 398021127 /nfs/dbraw/zinc/02/11/27/398021127.db2.gz OCMKCQHMOUESOY-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649656223 398024064 /nfs/dbraw/zinc/02/40/64/398024064.db2.gz DSGXHFOWNOEONU-UHFFFAOYSA-N 1 2 249.358 2.931 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649656223 398024066 /nfs/dbraw/zinc/02/40/66/398024066.db2.gz DSGXHFOWNOEONU-UHFFFAOYSA-N 1 2 249.358 2.931 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@@H+]1CCC12CCCC2 ZINC000649658460 398028124 /nfs/dbraw/zinc/02/81/24/398028124.db2.gz LSNFOKSXZDFOCR-UHFFFAOYSA-N 1 2 249.383 2.934 20 0 BFADLO C(c1nnc(C2CC2)s1)[N@H+]1CCC12CCCC2 ZINC000649658460 398028129 /nfs/dbraw/zinc/02/81/29/398028129.db2.gz LSNFOKSXZDFOCR-UHFFFAOYSA-N 1 2 249.383 2.934 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+]2CCC23CCCC3)n1 ZINC000649658519 398028527 /nfs/dbraw/zinc/02/85/27/398028527.db2.gz OGKRDBUXPVGQIU-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO Cn1cc(Cl)c(C[N@H+]2CCC23CCCC3)n1 ZINC000649658519 398028529 /nfs/dbraw/zinc/02/85/29/398028529.db2.gz OGKRDBUXPVGQIU-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO FC1(F)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000649693014 398041487 /nfs/dbraw/zinc/04/14/87/398041487.db2.gz NQSQVKYRPKCLSY-JTQLQIEISA-N 1 2 201.260 2.826 20 0 BFADLO FC1(F)CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000649693014 398041490 /nfs/dbraw/zinc/04/14/90/398041490.db2.gz NQSQVKYRPKCLSY-JTQLQIEISA-N 1 2 201.260 2.826 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)o1 ZINC000271786457 397975346 /nfs/dbraw/zinc/97/53/46/397975346.db2.gz PYSOQXRHTLPEDW-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Clc1ccccc1CN1CCn2c[nH+]cc2C1 ZINC000291587254 398096457 /nfs/dbraw/zinc/09/64/57/398096457.db2.gz PKQPZQHKBKWDSX-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO CCc1ccc(C[NH2+]Cc2nc(C)cs2)o1 ZINC000051724636 398058979 /nfs/dbraw/zinc/05/89/79/398058979.db2.gz ZAZWKFJQFMFREF-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000389483334 398101928 /nfs/dbraw/zinc/10/19/28/398101928.db2.gz YGOUHYOBQGAOJR-SECBINFHSA-N 1 2 214.259 2.523 20 0 BFADLO COc1ncc(CNc2ccc(C)[nH+]c2C)s1 ZINC000379759183 398118905 /nfs/dbraw/zinc/11/89/05/398118905.db2.gz ARMQDKZLBPXNIY-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Clc1snnc1C[NH2+]C1(C2CCC2)CC1 ZINC000649805885 398113323 /nfs/dbraw/zinc/11/33/23/398113323.db2.gz FYYCWWIYRQCIMN-UHFFFAOYSA-N 1 2 243.763 2.614 20 0 BFADLO CC/C(C)=C/C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000294656561 398129525 /nfs/dbraw/zinc/12/95/25/398129525.db2.gz HWPWOCKGVODZHZ-IIANPFDCSA-N 1 2 247.342 2.820 20 0 BFADLO CC(C)OCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000680377856 487578801 /nfs/dbraw/zinc/57/88/01/487578801.db2.gz FHXONLHHBRLKPP-UHFFFAOYSA-N 1 2 237.347 2.611 20 0 BFADLO Cc1ccc(NC(=O)N2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000672702255 487580168 /nfs/dbraw/zinc/58/01/68/487580168.db2.gz XLUIKNQGXGHEEG-WCQYABFASA-N 1 2 245.326 2.715 20 0 BFADLO Cc1ccc(C)c(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492950357 533676908 /nfs/dbraw/zinc/67/69/08/533676908.db2.gz KSYBDEYMYNDBQL-WAYWQWQTSA-N 1 2 241.294 2.678 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)o1 ZINC000393800410 487584636 /nfs/dbraw/zinc/58/46/36/487584636.db2.gz RVKORHQKDOKJAC-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1ccnc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000328060685 487599511 /nfs/dbraw/zinc/59/95/11/487599511.db2.gz BIFDMBYSPNJHID-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccnc(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC000683002053 487605713 /nfs/dbraw/zinc/60/57/13/487605713.db2.gz WVHINULPVMXKED-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccnc(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC000683002053 487605716 /nfs/dbraw/zinc/60/57/16/487605716.db2.gz WVHINULPVMXKED-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CC(C)SCC[N@H+](C)Cc1cscn1 ZINC000283370321 167322962 /nfs/dbraw/zinc/32/29/62/167322962.db2.gz CCUPOKMKEBAQLK-UHFFFAOYSA-N 1 2 230.402 2.717 20 0 BFADLO CC(C)SCC[N@@H+](C)Cc1cscn1 ZINC000283370321 167322966 /nfs/dbraw/zinc/32/29/66/167322966.db2.gz CCUPOKMKEBAQLK-UHFFFAOYSA-N 1 2 230.402 2.717 20 0 BFADLO CC(C)SCC[N@H+](CC(F)F)C1CC1 ZINC000336696601 167324118 /nfs/dbraw/zinc/32/41/18/167324118.db2.gz UDCRAGIUTWZRPC-UHFFFAOYSA-N 1 2 223.332 2.858 20 0 BFADLO CC(C)SCC[N@@H+](CC(F)F)C1CC1 ZINC000336696601 167324120 /nfs/dbraw/zinc/32/41/20/167324120.db2.gz UDCRAGIUTWZRPC-UHFFFAOYSA-N 1 2 223.332 2.858 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(C)c2)n1 ZINC000653890964 487609922 /nfs/dbraw/zinc/60/99/22/487609922.db2.gz TYWFJLSQTFQFIJ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2cccc(C)c2)n1 ZINC000653890964 487609927 /nfs/dbraw/zinc/60/99/27/487609927.db2.gz TYWFJLSQTFQFIJ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CC[C@@H](NC(=O)CC1=CCCCC1)c1[nH]cc[nH+]1 ZINC000140610551 409823269 /nfs/dbraw/zinc/82/32/69/409823269.db2.gz PYLOFUHPFZYMNY-GFCCVEGCSA-N 1 2 247.342 2.868 20 0 BFADLO CCn1cc[nH+]c1CNc1ncccc1SC ZINC000651970758 409940464 /nfs/dbraw/zinc/94/04/64/409940464.db2.gz JSFZKAVUTALAKQ-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CSc1ccc[nH+]c1NCc1cccn1C ZINC000651970954 409940880 /nfs/dbraw/zinc/94/08/80/409940880.db2.gz QCKIFBFQSLWFDU-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CCOC1CC(Nc2[nH+]cccc2SC)C1 ZINC000651971575 409942877 /nfs/dbraw/zinc/94/28/77/409942877.db2.gz KXKFOAUYIWVYPK-UHFFFAOYSA-N 1 2 238.356 2.783 20 0 BFADLO CCc1cc[nH+]cc1NC1CCSCC1 ZINC000651979248 410111741 /nfs/dbraw/zinc/11/17/41/410111741.db2.gz FDFGDKPWHQKPNP-UHFFFAOYSA-N 1 2 222.357 2.952 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CCCSC1 ZINC000651979418 410112655 /nfs/dbraw/zinc/11/26/55/410112655.db2.gz QCRQALVMJLIRLD-NSHDSACASA-N 1 2 222.357 2.952 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CCCOCC1 ZINC000651979338 410113194 /nfs/dbraw/zinc/11/31/94/410113194.db2.gz JTCNRGOBKHJVIT-LBPRGKRZSA-N 1 2 220.316 2.625 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403463 410207651 /nfs/dbraw/zinc/20/76/51/410207651.db2.gz CXUSMSFTXHNTMH-ZWNOBZJWSA-N 1 2 237.347 2.803 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H]1C ZINC000663674446 410306962 /nfs/dbraw/zinc/30/69/62/410306962.db2.gz SVKRFLRNZOBAJE-PHIMTYICSA-N 1 2 241.338 2.909 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccncc2)s1 ZINC000266026578 487615015 /nfs/dbraw/zinc/61/50/15/487615015.db2.gz QQTLZXPNVMRMKL-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccncc2)s1 ZINC000266026578 487615019 /nfs/dbraw/zinc/61/50/19/487615019.db2.gz QQTLZXPNVMRMKL-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000663945583 410395306 /nfs/dbraw/zinc/39/53/06/410395306.db2.gz GDJXSIPUZNHHJG-PSASIEDQSA-N 1 2 217.316 2.507 20 0 BFADLO CC(C)(C)c1nc(N[C@H]2COC(C)(C)C2)cc[nH+]1 ZINC000664144882 410468645 /nfs/dbraw/zinc/46/86/45/410468645.db2.gz PURDKQRUPYOJRC-SNVBAGLBSA-N 1 2 249.358 2.754 20 0 BFADLO C[C@@H]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000664393845 410574788 /nfs/dbraw/zinc/57/47/88/410574788.db2.gz IESFCNIFOXILEW-ZYHUDNBSSA-N 1 2 247.342 2.724 20 0 BFADLO CC1(C)[C@@H](CNc2cccc[nH+]2)C1(F)F ZINC000664526186 410594768 /nfs/dbraw/zinc/59/47/68/410594768.db2.gz DBDQRKOVSLLXJM-MRVPVSSYSA-N 1 2 212.243 2.785 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(C(C)(C)F)n1 ZINC000664983690 410662232 /nfs/dbraw/zinc/66/22/32/410662232.db2.gz GQDKUOIQFTZFQT-UHFFFAOYSA-N 1 2 235.262 2.568 20 0 BFADLO CC(C)(CC[N@@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412117 410622497 /nfs/dbraw/zinc/62/24/97/410622497.db2.gz DMNVZYBTFRLIEZ-NSHDSACASA-N 1 2 247.329 2.515 20 0 BFADLO CC(C)(CC[N@H+]1CC[C@H](O)C(F)(F)C1)C1CC1 ZINC000661412117 410622498 /nfs/dbraw/zinc/62/24/98/410622498.db2.gz DMNVZYBTFRLIEZ-NSHDSACASA-N 1 2 247.329 2.515 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc[nH]n1 ZINC000679583275 487618930 /nfs/dbraw/zinc/61/89/30/487618930.db2.gz DCPDCBMLPBUUNQ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc[nH]n1 ZINC000679583275 487618933 /nfs/dbraw/zinc/61/89/33/487618933.db2.gz DCPDCBMLPBUUNQ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO CC(C)C[NH2+]c1ccc(OCCCO)cc1 ZINC000285592940 167016477 /nfs/dbraw/zinc/01/64/77/167016477.db2.gz WBNYZMQMHNMWGV-UHFFFAOYSA-N 1 2 223.316 2.516 20 0 BFADLO CC(C)[NH2+]c1ccc(OCc2nccn2C)cc1 ZINC000133014372 167146135 /nfs/dbraw/zinc/14/61/35/167146135.db2.gz BRWFUMMNEOVDDJ-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CC(C)[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000088533887 167146228 /nfs/dbraw/zinc/14/62/28/167146228.db2.gz KNLIRMMWNMACDP-ZDUSSCGKSA-N 1 2 221.300 2.675 20 0 BFADLO CC(C)[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000088533886 167147422 /nfs/dbraw/zinc/14/74/22/167147422.db2.gz KNLIRMMWNMACDP-CYBMUJFWSA-N 1 2 221.300 2.675 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(N(C)CCO)cc1 ZINC000272487375 167385859 /nfs/dbraw/zinc/38/58/59/167385859.db2.gz SBCRWWRHNDEQHI-GFCCVEGCSA-N 1 2 236.359 2.572 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cocn2)cs1 ZINC000397808756 410933568 /nfs/dbraw/zinc/93/35/68/410933568.db2.gz OCYMXQCRJWKFQL-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CC[NH+](CC)Cc1noc(-c2ccsc2)n1 ZINC000127202091 169791818 /nfs/dbraw/zinc/79/18/18/169791818.db2.gz IXQAOXVHCSZVHW-UHFFFAOYSA-N 1 2 237.328 2.640 20 0 BFADLO CC1CCC(N(C)c2cc(CO)cc[nH+]2)CC1 ZINC000042488070 411008307 /nfs/dbraw/zinc/00/83/07/411008307.db2.gz RGLYBJBQNXPJBW-UHFFFAOYSA-N 1 2 234.343 2.589 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc([C@@H]2C[C@@H]2C)n1 ZINC000651355605 410944004 /nfs/dbraw/zinc/94/40/04/410944004.db2.gz IXXMUUYAGWYRAJ-WDEREUQCSA-N 1 2 243.310 2.682 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc([C@H]2C[C@H]2C)n1 ZINC000651355604 410945329 /nfs/dbraw/zinc/94/53/29/410945329.db2.gz IXXMUUYAGWYRAJ-MNOVXSKESA-N 1 2 243.310 2.682 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@@H]1OCCc2sccc21 ZINC000309394728 411163114 /nfs/dbraw/zinc/16/31/14/411163114.db2.gz GJFNVJFMGLWVDR-CPCISQLKSA-N 1 2 247.310 2.605 20 0 BFADLO OCc1cc[nH+]c(N2CCC[C@H]2C2CCCC2)c1 ZINC000045086277 411144029 /nfs/dbraw/zinc/14/40/29/411144029.db2.gz RFUNCJYOTPLWMT-AWEZNQCLSA-N 1 2 246.354 2.733 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H](C)SC1 ZINC000655748991 411161481 /nfs/dbraw/zinc/16/14/81/411161481.db2.gz NWGBHGRQLCRICS-NXEZZACHSA-N 1 2 238.356 2.786 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H]2C)c1 ZINC000652068569 411104738 /nfs/dbraw/zinc/10/47/38/411104738.db2.gz HMFDVENCHUQAGO-ZYHUDNBSSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000652068310 411105199 /nfs/dbraw/zinc/10/51/99/411105199.db2.gz ZHMQSGCJGWJSII-JFGNBEQYSA-N 1 2 220.316 2.684 20 0 BFADLO CC[C@H]1CC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652068237 411105268 /nfs/dbraw/zinc/10/52/68/411105268.db2.gz WRDWFDBTJRALCE-RYUDHWBXSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2ccccn2)c1 ZINC000652068602 411105342 /nfs/dbraw/zinc/10/53/42/411105342.db2.gz IRDMDZOCRHIWDS-NSHDSACASA-N 1 2 243.310 2.796 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)C2CCC2)c1 ZINC000652068135 411105494 /nfs/dbraw/zinc/10/54/94/411105494.db2.gz SVIFYZQZVSNTCQ-SNVBAGLBSA-N 1 2 220.316 2.829 20 0 BFADLO Cc1ccc(N[C@H]2CCCn3nccc32)c[nH+]1 ZINC000657949704 411177627 /nfs/dbraw/zinc/17/76/27/411177627.db2.gz UUHWMRLGVQIKTO-LBPRGKRZSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1ccc(N[C@@H]2CCCn3nccc32)c[nH+]1 ZINC000657949702 411177738 /nfs/dbraw/zinc/17/77/38/411177738.db2.gz UUHWMRLGVQIKTO-GFCCVEGCSA-N 1 2 228.299 2.534 20 0 BFADLO COC1([C@H](C)Nc2ccc(C)[nH+]c2)CCC1 ZINC000657947884 411178087 /nfs/dbraw/zinc/17/80/87/411178087.db2.gz FQKJTTBVPYRBLC-NSHDSACASA-N 1 2 220.316 2.760 20 0 BFADLO COc1c(C)[nH+]cnc1N(C)C1CCCCC1 ZINC000656103737 411178940 /nfs/dbraw/zinc/17/89/40/411178940.db2.gz CQBOPTFEBUSVQS-UHFFFAOYSA-N 1 2 235.331 2.563 20 0 BFADLO CCC1(C)CCN(c2nc[nH+]c(C)c2OC)CC1 ZINC000656114823 411181658 /nfs/dbraw/zinc/18/16/58/411181658.db2.gz FFOUWXIOYVXQCK-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)C[C@H](C)C1 ZINC000656149643 411187290 /nfs/dbraw/zinc/18/72/90/411187290.db2.gz GHUAQYPSMZLVKJ-QWRGUYRKSA-N 1 2 249.358 2.666 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccsc1 ZINC000658099294 411244284 /nfs/dbraw/zinc/24/42/84/411244284.db2.gz WJLYZJCBDRJCDB-ATZCPNFKSA-N 1 2 248.355 2.696 20 0 BFADLO CCC(C)(C)CNc1nc[nH+]c(C)c1OC ZINC000656177038 411193363 /nfs/dbraw/zinc/19/33/63/411193363.db2.gz BCADTSDNJFUSFN-UHFFFAOYSA-N 1 2 223.320 2.642 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccsc1 ZINC000658099296 411244936 /nfs/dbraw/zinc/24/49/36/411244936.db2.gz WJLYZJCBDRJCDB-QXEWZRGKSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccsc1 ZINC000658099299 411244964 /nfs/dbraw/zinc/24/49/64/411244964.db2.gz WJLYZJCBDRJCDB-YWVKMMECSA-N 1 2 248.355 2.696 20 0 BFADLO CNc1ccc(-c2cccc(C(C)=O)c2)c[nH+]1 ZINC000061926951 411201163 /nfs/dbraw/zinc/20/11/63/411201163.db2.gz QKGDMCWJAXLOPR-UHFFFAOYSA-N 1 2 226.279 2.993 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2ccoc2)c1 ZINC000652330414 411202238 /nfs/dbraw/zinc/20/22/38/411202238.db2.gz FOPJODPGWDXRBE-JTQLQIEISA-N 1 2 232.283 2.994 20 0 BFADLO CC[C@H](Nc1cc(COC)cc[nH+]1)C1CC1 ZINC000652330584 411202330 /nfs/dbraw/zinc/20/23/30/411202330.db2.gz KDBBZAFHKWRJBI-LBPRGKRZSA-N 1 2 220.316 2.829 20 0 BFADLO c1ccc(N[C@H](C2CC2)[C@@H]2CCCCO2)[nH+]c1 ZINC000656208727 411209180 /nfs/dbraw/zinc/20/91/80/411209180.db2.gz SRYRATLURXIOQN-GXTWGEPZSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1cc(N[C@@H](C2CC2)[C@@H]2CCCCO2)nc[nH+]1 ZINC000656208565 411209814 /nfs/dbraw/zinc/20/98/14/411209814.db2.gz NSLGFFGSVPVWIK-JSGCOSHPSA-N 1 2 247.342 2.545 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]cn1)[C@@H]1CCCCO1 ZINC000656227368 411213503 /nfs/dbraw/zinc/21/35/03/411213503.db2.gz LGLXANBQRGQVCG-RYUDHWBXSA-N 1 2 235.331 2.545 20 0 BFADLO Cc1nc(NC[C@@H]2CCC3(CCCC3)O2)cc[nH+]1 ZINC000656225779 411215727 /nfs/dbraw/zinc/21/57/27/411215727.db2.gz CDWYUVYALYUWNL-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO Nc1ccc(NC(=O)[C@@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000659294493 411221047 /nfs/dbraw/zinc/22/10/47/411221047.db2.gz KPEZBJDYWPXGBW-SNVBAGLBSA-N 1 2 245.326 2.573 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1F ZINC000656266031 411221134 /nfs/dbraw/zinc/22/11/34/411221134.db2.gz BMKKTYKQWBFDAF-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ccco1)C2 ZINC000656275103 411225264 /nfs/dbraw/zinc/22/52/64/411225264.db2.gz JOZABVLGEUETJO-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ccco1)C2 ZINC000656275103 411225267 /nfs/dbraw/zinc/22/52/67/411225267.db2.gz JOZABVLGEUETJO-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1cncs1)C2 ZINC000656274921 411225673 /nfs/dbraw/zinc/22/56/73/411225673.db2.gz HDOOWXRVJRVEJJ-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1cncs1)C2 ZINC000656274921 411225675 /nfs/dbraw/zinc/22/56/75/411225675.db2.gz HDOOWXRVJRVEJJ-UHFFFAOYSA-N 1 2 246.335 2.668 20 0 BFADLO CCCCCC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000652408449 411231621 /nfs/dbraw/zinc/23/16/21/411231621.db2.gz QYHSXGGWRFFZLS-UHFFFAOYSA-N 1 2 237.347 2.650 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CCC1 ZINC000660482460 411235863 /nfs/dbraw/zinc/23/58/63/411235863.db2.gz DXRYZUWMYBQEAD-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CCC1 ZINC000660482460 411235864 /nfs/dbraw/zinc/23/58/64/411235864.db2.gz DXRYZUWMYBQEAD-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)C(=O)CC2(C)C ZINC000656371258 411239287 /nfs/dbraw/zinc/23/92/87/411239287.db2.gz BEMMZKKWWATCKR-UHFFFAOYSA-N 1 2 240.306 2.951 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cscn2)cn1 ZINC000656683369 411327337 /nfs/dbraw/zinc/32/73/37/411327337.db2.gz YWNUCXJRKVILSN-NXEZZACHSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H](N[C@H]1CCCn2cc[nH+]c21)c1cscn1 ZINC000658153262 411267825 /nfs/dbraw/zinc/26/78/25/411267825.db2.gz SMGVTPJQYSVCFA-ZJUUUORDSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000658152055 411268077 /nfs/dbraw/zinc/26/80/77/411268077.db2.gz OTQBSWGNGPGAPP-SCZZXKLOSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H](N[C@@H]1CCCn2cc[nH+]c21)c1cscn1 ZINC000658153259 411268403 /nfs/dbraw/zinc/26/84/03/411268403.db2.gz SMGVTPJQYSVCFA-NXEZZACHSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1c[nH+]cc(NCCC2CCOCC2)c1 ZINC000653462682 411279604 /nfs/dbraw/zinc/27/96/04/411279604.db2.gz IBTDLRIJWUZKGW-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO Cc1ccccc1N(C)CCCn1cc[nH+]c1 ZINC000653468309 411289053 /nfs/dbraw/zinc/28/90/53/411289053.db2.gz QMNTWVAJROPFMY-UHFFFAOYSA-N 1 2 229.327 2.718 20 0 BFADLO Cc1ccc(C)c([N@@H+](C)CCC[C@@H](C)O)c1 ZINC000354857262 411293073 /nfs/dbraw/zinc/29/30/73/411293073.db2.gz KCXOIPONRFKIBX-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc(C)c([N@H+](C)CCC[C@@H](C)O)c1 ZINC000354857262 411293075 /nfs/dbraw/zinc/29/30/75/411293075.db2.gz KCXOIPONRFKIBX-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO C=C/C(C)=C\CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000654001411 411309625 /nfs/dbraw/zinc/30/96/25/411309625.db2.gz IVKRQQRDPCYBAL-SEVUFMINSA-N 1 2 247.342 2.603 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280140 411320646 /nfs/dbraw/zinc/32/06/46/411320646.db2.gz GLXRZCBCKSDROS-XCBNKYQSSA-N 1 2 243.301 2.660 20 0 BFADLO C[C@@H](O)C[N@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653750365 411321658 /nfs/dbraw/zinc/32/16/58/411321658.db2.gz CHTHXARXWDWHTM-SNVBAGLBSA-N 1 2 249.345 2.761 20 0 BFADLO C[C@@H](O)C[N@@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653750365 411321661 /nfs/dbraw/zinc/32/16/61/411321661.db2.gz CHTHXARXWDWHTM-SNVBAGLBSA-N 1 2 249.345 2.761 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccncc2)c(C)o1 ZINC000660140985 411256483 /nfs/dbraw/zinc/25/64/83/411256483.db2.gz SGKPBFJXFKFQRX-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccncc2)c(C)o1 ZINC000660140985 411256487 /nfs/dbraw/zinc/25/64/87/411256487.db2.gz SGKPBFJXFKFQRX-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO CN(Cc1ccsc1Cl)Cc1[nH]cc[nH+]1 ZINC000660142374 411257793 /nfs/dbraw/zinc/25/77/93/411257793.db2.gz VSGYYXDUFNUYES-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO Cc1nocc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776480 411356700 /nfs/dbraw/zinc/35/67/00/411356700.db2.gz PBOISKUYGCIPOS-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CC(C)n1cc[nH+]c1CNc1ccc(F)cn1 ZINC000656767985 411363471 /nfs/dbraw/zinc/36/34/71/411363471.db2.gz QYWRYEDAZMVGBF-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO CC1(C[N@H+](CC(F)F)C2CC2)CCC1 ZINC000340284434 168021710 /nfs/dbraw/zinc/02/17/10/168021710.db2.gz VALNBCPNVWCSNA-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO CC1(C[N@@H+](CC(F)F)C2CC2)CCC1 ZINC000340284434 168021712 /nfs/dbraw/zinc/02/17/12/168021712.db2.gz VALNBCPNVWCSNA-UHFFFAOYSA-N 1 2 203.276 2.906 20 0 BFADLO CC1(Nc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000166239496 168065937 /nfs/dbraw/zinc/06/59/37/168065937.db2.gz OJUVKJQVQFEHRX-UHFFFAOYSA-N 1 2 203.289 2.709 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nnc(C3CC3)s2)CC1 ZINC000336260368 168086063 /nfs/dbraw/zinc/08/60/63/168086063.db2.gz MOQSCUJQKXSTIN-UHFFFAOYSA-N 1 2 249.383 2.958 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nnc(C3CC3)s2)CC1 ZINC000336260368 168086065 /nfs/dbraw/zinc/08/60/65/168086065.db2.gz MOQSCUJQKXSTIN-UHFFFAOYSA-N 1 2 249.383 2.958 20 0 BFADLO CC1=CCC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000334149268 168100183 /nfs/dbraw/zinc/10/01/83/168100183.db2.gz FTPWDYCPICCKDU-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=CCC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000334149268 168100185 /nfs/dbraw/zinc/10/01/85/168100185.db2.gz FTPWDYCPICCKDU-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000280917833 168100569 /nfs/dbraw/zinc/10/05/69/168100569.db2.gz SWMKWSSWNCPGFO-LLVKDONJSA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000280917833 168100571 /nfs/dbraw/zinc/10/05/71/168100571.db2.gz SWMKWSSWNCPGFO-LLVKDONJSA-N 1 2 235.331 2.906 20 0 BFADLO CC1=CCC[C@H](C)[C@H]1CNc1ccc(CO)c[nH+]1 ZINC000356322069 168104934 /nfs/dbraw/zinc/10/49/34/168104934.db2.gz QMDYEHPFQJFBQA-JSGCOSHPSA-N 1 2 246.354 2.978 20 0 BFADLO CC1=C[C@@H](C)C[C@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000356303244 168125291 /nfs/dbraw/zinc/12/52/91/168125291.db2.gz NRRNOHXKXCUUMC-RISCZKNCSA-N 1 2 246.354 2.978 20 0 BFADLO CC1=C[C@H](C)C[C@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000356303241 168131247 /nfs/dbraw/zinc/13/12/47/168131247.db2.gz NRRNOHXKXCUUMC-FZMZJTMJSA-N 1 2 246.354 2.978 20 0 BFADLO CC1C[NH+](Cc2ccc(Cl)cc2F)C1 ZINC000338951049 168191154 /nfs/dbraw/zinc/19/11/54/168191154.db2.gz FLAJBULYDOVQOP-UHFFFAOYSA-N 1 2 213.683 2.931 20 0 BFADLO CC1C[NH+](Cc2csc(-c3ccccn3)n2)C1 ZINC000336405944 168191728 /nfs/dbraw/zinc/19/17/28/168191728.db2.gz HBRLSWLGXQBJHY-UHFFFAOYSA-N 1 2 245.351 2.657 20 0 BFADLO CCc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657320876 411461690 /nfs/dbraw/zinc/46/16/90/411461690.db2.gz JERASVYJXQFICU-UHFFFAOYSA-N 1 2 215.300 2.893 20 0 BFADLO CC[C@@H](CC(F)F)C[N@H+](C)CC(F)F ZINC000659879801 411488061 /nfs/dbraw/zinc/48/80/61/411488061.db2.gz XIDNUFKOJUXKQD-ZETCQYMHSA-N 1 2 215.234 2.865 20 0 BFADLO CC[C@@H](CC(F)F)C[N@@H+](C)CC(F)F ZINC000659879801 411488062 /nfs/dbraw/zinc/48/80/62/411488062.db2.gz XIDNUFKOJUXKQD-ZETCQYMHSA-N 1 2 215.234 2.865 20 0 BFADLO CO[C@H](C[N@H+](CC(F)F)C1CC1)C1CCCC1 ZINC000659907572 411494350 /nfs/dbraw/zinc/49/43/50/411494350.db2.gz IVIIYGGLBLCTDZ-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@@H+](CC(F)F)C1CC1)C1CCCC1 ZINC000659907572 411494353 /nfs/dbraw/zinc/49/43/53/411494353.db2.gz IVIIYGGLBLCTDZ-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3sccc3C2)co1 ZINC000659909813 411494922 /nfs/dbraw/zinc/49/49/22/411494922.db2.gz LUHOWPSNNMTNDX-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3sccc3C2)co1 ZINC000659909813 411494926 /nfs/dbraw/zinc/49/49/26/411494926.db2.gz LUHOWPSNNMTNDX-UHFFFAOYSA-N 1 2 248.351 2.993 20 0 BFADLO Cc1c[nH]c(CNc2cc(C)cc(F)c2)[nH+]1 ZINC000657404308 411497106 /nfs/dbraw/zinc/49/71/06/411497106.db2.gz PIZLAFZGRKVBCW-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cc1c[nH]c(CNc2cccnc2OC(C)C)[nH+]1 ZINC000657413751 411500126 /nfs/dbraw/zinc/50/01/26/411500126.db2.gz QRHLCLTWLLVBLJ-UHFFFAOYSA-N 1 2 246.314 2.512 20 0 BFADLO CC[C@H](C)n1ncc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657448126 411513428 /nfs/dbraw/zinc/51/34/28/411513428.db2.gz SPLZICKFDJRCPK-JTQLQIEISA-N 1 2 247.346 2.806 20 0 BFADLO COCc1csc(C[NH2+]CC(C)(F)F)c1 ZINC000657474709 411523868 /nfs/dbraw/zinc/52/38/68/411523868.db2.gz DCIRASCZSZWNAD-UHFFFAOYSA-N 1 2 235.299 2.639 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)o1 ZINC000660032861 411529978 /nfs/dbraw/zinc/52/99/78/411529978.db2.gz TUDNUOCADNHXTH-CQSZACIVSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)o1 ZINC000660032861 411529980 /nfs/dbraw/zinc/52/99/80/411529980.db2.gz TUDNUOCADNHXTH-CQSZACIVSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1cscc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654934207 411465722 /nfs/dbraw/zinc/46/57/22/411465722.db2.gz JEUYTQDQEMCQDL-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO Cc1cscc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654934207 411465724 /nfs/dbraw/zinc/46/57/24/411465724.db2.gz JEUYTQDQEMCQDL-MRVPVSSYSA-N 1 2 249.339 2.597 20 0 BFADLO CCN1C[C@@H](C)[N@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000353814366 170028566 /nfs/dbraw/zinc/02/85/66/170028566.db2.gz ZTTIHSDJQOAICV-NWDGAFQWSA-N 1 2 236.359 2.503 20 0 BFADLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000353814366 170028568 /nfs/dbraw/zinc/02/85/68/170028568.db2.gz ZTTIHSDJQOAICV-NWDGAFQWSA-N 1 2 236.359 2.503 20 0 BFADLO c1ncc(C[N@H+](Cc2ccncc2)C2CC2)s1 ZINC000660138324 411543632 /nfs/dbraw/zinc/54/36/32/411543632.db2.gz RYNIETNGKXKEGG-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1ncc(C[N@@H+](Cc2ccncc2)C2CC2)s1 ZINC000660138324 411543633 /nfs/dbraw/zinc/54/36/33/411543633.db2.gz RYNIETNGKXKEGG-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000340636746 170215527 /nfs/dbraw/zinc/21/55/27/170215527.db2.gz XCYIRANXYXXRLW-CYBMUJFWSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000340636746 170215529 /nfs/dbraw/zinc/21/55/29/170215529.db2.gz XCYIRANXYXXRLW-CYBMUJFWSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000341833897 170216159 /nfs/dbraw/zinc/21/61/59/170216159.db2.gz HCWUVZDLFOOQSE-ZDUSSCGKSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000341833897 170216160 /nfs/dbraw/zinc/21/61/60/170216160.db2.gz HCWUVZDLFOOQSE-ZDUSSCGKSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@H+](Cc1cccs1)C(C)C ZINC000042518723 170217763 /nfs/dbraw/zinc/21/77/63/170217763.db2.gz WJDIAFFROZDFRF-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C[N@@H+](Cc1cccs1)C(C)C ZINC000042518723 170217764 /nfs/dbraw/zinc/21/77/64/170217764.db2.gz WJDIAFFROZDFRF-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C[N@H+](Cc1ccsc1)C(C)C ZINC000050063415 170217851 /nfs/dbraw/zinc/21/78/51/170217851.db2.gz BQLTVLDOERLJBU-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C[N@@H+](Cc1ccsc1)C(C)C ZINC000050063415 170217853 /nfs/dbraw/zinc/21/78/53/170217853.db2.gz BQLTVLDOERLJBU-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C[NH2+]C(C)(C)CCc1ccccc1 ZINC000134318175 170225269 /nfs/dbraw/zinc/22/52/69/170225269.db2.gz BDMUKQFDOBAZPW-UHFFFAOYSA-N 1 2 249.354 2.551 20 0 BFADLO CCOC(=O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000341906219 170226250 /nfs/dbraw/zinc/22/62/50/170226250.db2.gz HRVMTGLBCRGFFH-GFCCVEGCSA-N 1 2 235.327 2.517 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1coc(C)n1 ZINC000660242542 411558278 /nfs/dbraw/zinc/55/82/78/411558278.db2.gz OSKORVQEMIPZID-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000037952728 170249577 /nfs/dbraw/zinc/24/95/77/170249577.db2.gz OHXOOTUFTWMBSX-CQSZACIVSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1ccccc1 ZINC000084100730 170251050 /nfs/dbraw/zinc/25/10/50/170251050.db2.gz WKNLQYLOIOFKRP-DGCLKSJQSA-N 1 2 235.327 2.679 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](Cc1ccccc1)C1CC1 ZINC000190818492 170266275 /nfs/dbraw/zinc/26/62/75/170266275.db2.gz PAXXXQUUQHOMOK-LBPRGKRZSA-N 1 2 247.338 2.603 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccccc1)C1CC1 ZINC000190818492 170266276 /nfs/dbraw/zinc/26/62/76/170266276.db2.gz PAXXXQUUQHOMOK-LBPRGKRZSA-N 1 2 247.338 2.603 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174973095 170267787 /nfs/dbraw/zinc/26/77/87/170267787.db2.gz ULMAWLTYVZGEGB-SGMGOOAPSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174973095 170267789 /nfs/dbraw/zinc/26/77/89/170267789.db2.gz ULMAWLTYVZGEGB-SGMGOOAPSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000049368619 170268019 /nfs/dbraw/zinc/26/80/19/170268019.db2.gz GXAYCCVCPWZIBX-NEPJUHHUSA-N 1 2 235.327 2.597 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cccc1C ZINC000354551843 170268493 /nfs/dbraw/zinc/26/84/93/170268493.db2.gz YZPYROSXLFTMQQ-OLZOCXBDSA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000049368252 170268697 /nfs/dbraw/zinc/26/86/97/170268697.db2.gz ADNFEACWYAXLMU-STQMWFEESA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000068946896 170277337 /nfs/dbraw/zinc/27/73/37/170277337.db2.gz UCVURMDYCCIGLQ-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](C)CC ZINC000041118407 170277571 /nfs/dbraw/zinc/27/75/71/170277571.db2.gz CYXSYYPOLKPCCC-TZMCWYRMSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC1C[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000297553652 170336527 /nfs/dbraw/zinc/33/65/27/170336527.db2.gz ZTIDJXQLTOVZCX-MFKMUULPSA-N 1 2 235.327 2.624 20 0 BFADLO CCOC1C[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000297553645 170336662 /nfs/dbraw/zinc/33/66/62/170336662.db2.gz ZTIDJXQLTOVZCX-GWCFXTLKSA-N 1 2 235.327 2.624 20 0 BFADLO CCOCC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000288777320 170352348 /nfs/dbraw/zinc/35/23/48/170352348.db2.gz DFLNZSRUGYJDHT-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000657798951 411599748 /nfs/dbraw/zinc/59/97/48/411599748.db2.gz SASDDAYQXJIBFS-OAHLLOKOSA-N 1 2 241.338 2.885 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000657794160 411599835 /nfs/dbraw/zinc/59/98/35/411599835.db2.gz OJAJJFPFLUUHMS-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1nccs1 ZINC000657874923 411615233 /nfs/dbraw/zinc/61/52/33/411615233.db2.gz CRSKNVQEYFEILQ-UWVGGRQHSA-N 1 2 248.355 2.525 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2nsc3ccccc32)C1 ZINC000660691986 411618038 /nfs/dbraw/zinc/61/80/38/411618038.db2.gz LINNZWIMHTVRES-SECBINFHSA-N 1 2 236.315 2.840 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000660691986 411618039 /nfs/dbraw/zinc/61/80/39/411618039.db2.gz LINNZWIMHTVRES-SECBINFHSA-N 1 2 236.315 2.840 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)Cc1ccsc1Cl ZINC000661093519 411705108 /nfs/dbraw/zinc/70/51/08/411705108.db2.gz PZVYHINBYKZFHK-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)Cc1ccsc1Cl ZINC000661093519 411705111 /nfs/dbraw/zinc/70/51/11/411705111.db2.gz PZVYHINBYKZFHK-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000663464735 411664610 /nfs/dbraw/zinc/66/46/10/411664610.db2.gz YHZOZXXQSJJLOI-ZJUUUORDSA-N 1 2 233.302 2.674 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000663464735 411664612 /nfs/dbraw/zinc/66/46/12/411664612.db2.gz YHZOZXXQSJJLOI-ZJUUUORDSA-N 1 2 233.302 2.674 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660928891 411678632 /nfs/dbraw/zinc/67/86/32/411678632.db2.gz UFXWKFOPYDRNQJ-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660928891 411678636 /nfs/dbraw/zinc/67/86/36/411678636.db2.gz UFXWKFOPYDRNQJ-QWRGUYRKSA-N 1 2 249.358 2.742 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660930589 411680547 /nfs/dbraw/zinc/68/05/47/411680547.db2.gz NRNQYRQUHPVMLH-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)no1 ZINC000660930589 411680552 /nfs/dbraw/zinc/68/05/52/411680552.db2.gz NRNQYRQUHPVMLH-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO CC1=C(C(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000660955308 411686716 /nfs/dbraw/zinc/68/67/16/411686716.db2.gz MVEIMPMLYCRHRY-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cn1ccc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000661507742 411792394 /nfs/dbraw/zinc/79/23/94/411792394.db2.gz BJKLBUKEYCYPLZ-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1ccc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)n1 ZINC000661507742 411792396 /nfs/dbraw/zinc/79/23/96/411792396.db2.gz BJKLBUKEYCYPLZ-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO O[C@@H]1CC[N@H+](CCCC2CCCC2)CC1(F)F ZINC000661404277 411768547 /nfs/dbraw/zinc/76/85/47/411768547.db2.gz WBWLYPFCRQBZRY-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1CC[N@@H+](CCCC2CCCC2)CC1(F)F ZINC000661404277 411768550 /nfs/dbraw/zinc/76/85/50/411768550.db2.gz WBWLYPFCRQBZRY-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1CC[N@H+](CCCC2CCCC2)CC1(F)F ZINC000661404278 411768600 /nfs/dbraw/zinc/76/86/00/411768600.db2.gz WBWLYPFCRQBZRY-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1CC[N@@H+](CCCC2CCCC2)CC1(F)F ZINC000661404278 411768602 /nfs/dbraw/zinc/76/86/02/411768602.db2.gz WBWLYPFCRQBZRY-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO CCC(C)(C)CC[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402114 411769534 /nfs/dbraw/zinc/76/95/34/411769534.db2.gz TWHUURQOVWRGIS-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CCC(C)(C)CC[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC000661402114 411769536 /nfs/dbraw/zinc/76/95/36/411769536.db2.gz TWHUURQOVWRGIS-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661408680 411770507 /nfs/dbraw/zinc/77/05/07/411770507.db2.gz LXBAPUPBIHLVRB-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](O)C(F)(F)C2)C1 ZINC000661408680 411770511 /nfs/dbraw/zinc/77/05/11/411770511.db2.gz LXBAPUPBIHLVRB-WOPDTQHZSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1nc(N(C)[C@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000663678132 411721223 /nfs/dbraw/zinc/72/12/23/411721223.db2.gz JXDQEYWVXXHYAM-SNVBAGLBSA-N 1 2 243.310 2.688 20 0 BFADLO CO[C@H](COc1cc[nH+]cc1)C1CCCC1 ZINC000664014972 411814901 /nfs/dbraw/zinc/81/49/01/411814901.db2.gz GRPDBIUXHIVJGM-CYBMUJFWSA-N 1 2 221.300 2.666 20 0 BFADLO c1c(COc2cc[nH+]cc2)onc1C1CC1 ZINC000664017230 411815302 /nfs/dbraw/zinc/81/53/02/411815302.db2.gz WHHCIZBXGBCEHQ-UHFFFAOYSA-N 1 2 216.240 2.526 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661688771 411832534 /nfs/dbraw/zinc/83/25/34/411832534.db2.gz IAEZKFCCQOTWIO-ZJUUUORDSA-N 1 2 243.351 2.671 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661688771 411832539 /nfs/dbraw/zinc/83/25/39/411832539.db2.gz IAEZKFCCQOTWIO-ZJUUUORDSA-N 1 2 243.351 2.671 20 0 BFADLO CCC1(CC)CCC[N@H+](Cc2csnn2)C1 ZINC000661672533 411834523 /nfs/dbraw/zinc/83/45/23/411834523.db2.gz NMNYPELFEXZZEA-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO CCC1(CC)CCC[N@@H+](Cc2csnn2)C1 ZINC000661672533 411834526 /nfs/dbraw/zinc/83/45/26/411834526.db2.gz NMNYPELFEXZZEA-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO c1ccc2[nH+]c(N3C[C@@H]4CCCC[C@@H]43)[nH]c2c1 ZINC000664079738 411841960 /nfs/dbraw/zinc/84/19/60/411841960.db2.gz PZMGRENIEADKJD-GWCFXTLKSA-N 1 2 227.311 2.942 20 0 BFADLO CCC[N@@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661730307 411860958 /nfs/dbraw/zinc/86/09/58/411860958.db2.gz DAAQINUQFOVCIY-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC000661730307 411860963 /nfs/dbraw/zinc/86/09/63/411860963.db2.gz DAAQINUQFOVCIY-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO Cc1ccc2c(c1)CN(c1cc[nH+]c(C)n1)CC2 ZINC000664224577 411889193 /nfs/dbraw/zinc/88/91/93/411889193.db2.gz RXJKAKUJGATOMG-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO Cc1ccc2c(c1)CN(c1cc(C)[nH+]cn1)CC2 ZINC000664225069 411889807 /nfs/dbraw/zinc/88/98/07/411889807.db2.gz WVEHNMHLBXRJNS-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661875859 411911766 /nfs/dbraw/zinc/91/17/66/411911766.db2.gz QMXMJXSQHJDCBY-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661875859 411911769 /nfs/dbraw/zinc/91/17/69/411911769.db2.gz QMXMJXSQHJDCBY-GHMZBOCLSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCC(C)(C)F)[nH+]1 ZINC000664372480 411933027 /nfs/dbraw/zinc/93/30/27/411933027.db2.gz YOSSBMOPRKKOGE-UHFFFAOYSA-N 1 2 236.294 2.816 20 0 BFADLO C1=C(CNc2cc(N3CCCC3)nc[nH+]2)CCC1 ZINC000664542828 411981883 /nfs/dbraw/zinc/98/18/83/411981883.db2.gz NBGATSMSNQWOQP-UHFFFAOYSA-N 1 2 244.342 2.599 20 0 BFADLO C1=C(CNc2cc(N3CCCC3)[nH+]cn2)CCC1 ZINC000664542828 411981888 /nfs/dbraw/zinc/98/18/88/411981888.db2.gz NBGATSMSNQWOQP-UHFFFAOYSA-N 1 2 244.342 2.599 20 0 BFADLO CCc1cc(N[C@@]2(C)CC2(C)C)nc[nH+]1 ZINC000664548889 411983354 /nfs/dbraw/zinc/98/33/54/411983354.db2.gz CMKVLJQJRQMWCR-LBPRGKRZSA-N 1 2 205.305 2.640 20 0 BFADLO CO[C@@H](CNc1cc[nH+]c(C)n1)C1CCCCC1 ZINC000664585893 411991941 /nfs/dbraw/zinc/99/19/41/411991941.db2.gz CXNCPTDNXMJOQX-ZDUSSCGKSA-N 1 2 249.358 2.792 20 0 BFADLO CC(C)c1nc(C[N@H+]2[C@@H]3CC[C@H]2CC(C)C3)no1 ZINC000662130418 411996324 /nfs/dbraw/zinc/99/63/24/411996324.db2.gz FQWQUDKAKIGKSI-YOGCLGLASA-N 1 2 249.358 2.956 20 0 BFADLO CC(C)c1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC(C)C3)no1 ZINC000662130418 411996328 /nfs/dbraw/zinc/99/63/28/411996328.db2.gz FQWQUDKAKIGKSI-YOGCLGLASA-N 1 2 249.358 2.956 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2CC(C)(C)C2)[nH+]1 ZINC000664628815 412001578 /nfs/dbraw/zinc/00/15/78/412001578.db2.gz LECNNHGTUBSGIV-UHFFFAOYSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1nc(N(C)CC2=CCSC2)c(C)c(C)[nH+]1 ZINC000664639565 412001643 /nfs/dbraw/zinc/00/16/43/412001643.db2.gz DLJCSTMUOZLKMW-UHFFFAOYSA-N 1 2 249.383 2.511 20 0 BFADLO O[C@H]1C[C@H](Nc2cc[nH+]c3c(Cl)cccc23)C1 ZINC000664642563 412003328 /nfs/dbraw/zinc/00/33/28/412003328.db2.gz XYYDAMLKORKYEO-KYZUINATSA-N 1 2 248.713 2.823 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCCOCCF ZINC000664673491 412008231 /nfs/dbraw/zinc/00/82/31/412008231.db2.gz BLBMLFHIHPIHMA-UHFFFAOYSA-N 1 2 248.301 2.941 20 0 BFADLO CC12CC(C1)CN2c1[nH]c2ccccc2[nH+]1 ZINC000664692208 412010214 /nfs/dbraw/zinc/01/02/14/412010214.db2.gz DZYJUASHWDXUTA-UHFFFAOYSA-N 1 2 213.284 2.552 20 0 BFADLO C[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CC1(F)F ZINC000664399309 411944261 /nfs/dbraw/zinc/94/42/61/411944261.db2.gz HEYGUIBUFNJBCN-NSHDSACASA-N 1 2 239.269 2.811 20 0 BFADLO FCC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664415709 411948119 /nfs/dbraw/zinc/94/81/19/411948119.db2.gz ZKRHHUZWDNWCKS-NSHDSACASA-N 1 2 249.333 2.930 20 0 BFADLO Cc1nc(N[C@H]2CCc3ccc(O)cc32)cc[nH+]1 ZINC000664453263 411961279 /nfs/dbraw/zinc/96/12/79/411961279.db2.gz YVKZWGMKKJPOAN-ZDUSSCGKSA-N 1 2 241.294 2.590 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@@H]1c1ccncc1 ZINC000664830805 412029812 /nfs/dbraw/zinc/02/98/12/412029812.db2.gz AFBONIJPXBPDNA-CYBMUJFWSA-N 1 2 243.310 2.653 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@@H]1c1ccncc1 ZINC000664830805 412029815 /nfs/dbraw/zinc/02/98/15/412029815.db2.gz AFBONIJPXBPDNA-CYBMUJFWSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861586 412034059 /nfs/dbraw/zinc/03/40/59/412034059.db2.gz URVFCXGRZNHJRC-OLZOCXBDSA-N 1 2 247.386 2.984 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861586 412034063 /nfs/dbraw/zinc/03/40/63/412034063.db2.gz URVFCXGRZNHJRC-OLZOCXBDSA-N 1 2 247.386 2.984 20 0 BFADLO CCc1noc(C[NH2+][C@@H](CC)c2ccccc2)n1 ZINC000664934270 412045752 /nfs/dbraw/zinc/04/57/52/412045752.db2.gz MJAYVMCEJNQOPF-LBPRGKRZSA-N 1 2 245.326 2.873 20 0 BFADLO CC[C@H](C)Cc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664981415 412055718 /nfs/dbraw/zinc/05/57/18/412055718.db2.gz BGFHHKLDIHMOCI-JTQLQIEISA-N 1 2 245.326 2.952 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000293962580 171024283 /nfs/dbraw/zinc/02/42/83/171024283.db2.gz PZYQDWQDSCIHCK-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000293962580 171024285 /nfs/dbraw/zinc/02/42/85/171024285.db2.gz PZYQDWQDSCIHCK-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO CC[C@@H]1CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000292244182 171027062 /nfs/dbraw/zinc/02/70/62/171027062.db2.gz JPGBSVOADPXNGV-LLVKDONJSA-N 1 2 217.316 2.651 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(C)n1 ZINC000271496596 171039252 /nfs/dbraw/zinc/03/92/52/171039252.db2.gz WORXLORTPZMMRS-MWLCHTKSSA-N 1 2 205.305 2.552 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(F)c1F ZINC000115577543 171106317 /nfs/dbraw/zinc/10/63/17/171106317.db2.gz DXKGHVXLIQUFLY-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(F)c1F ZINC000115577543 171106319 /nfs/dbraw/zinc/10/63/19/171106319.db2.gz DXKGHVXLIQUFLY-LLVKDONJSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc[nH]n1 ZINC000091898300 171162135 /nfs/dbraw/zinc/16/21/35/171162135.db2.gz CGZUUEJKBABYBH-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000091898300 171162136 /nfs/dbraw/zinc/16/21/36/171162136.db2.gz CGZUUEJKBABYBH-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@H](C)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000190789582 171258045 /nfs/dbraw/zinc/25/80/45/171258045.db2.gz QUPSBIFPFSBUIV-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000359925456 171258698 /nfs/dbraw/zinc/25/86/98/171258698.db2.gz MPNNPYIMPAIBSL-WDEREUQCSA-N 1 2 235.331 2.509 20 0 BFADLO CC[C@H](C)CN(CC)c1cc(C)[nH+]cn1 ZINC000301503364 171278444 /nfs/dbraw/zinc/27/84/44/171278444.db2.gz YIIDGZCGIBQJSN-JTQLQIEISA-N 1 2 207.321 2.657 20 0 BFADLO CC[C@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301907112 171350389 /nfs/dbraw/zinc/35/03/89/171350389.db2.gz ZPHSSQCYHFEMLI-VIFPVBQESA-N 1 2 247.346 2.792 20 0 BFADLO CC[C@H](C)[C@@H](CNc1cccc[nH+]1)OC ZINC000294294826 171369459 /nfs/dbraw/zinc/36/94/59/171369459.db2.gz ULVJBOUDPQZPGG-WDEREUQCSA-N 1 2 208.305 2.555 20 0 BFADLO CC[C@H](C)[C@@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294909162 171370057 /nfs/dbraw/zinc/37/00/57/171370057.db2.gz IDUKJSMTKHGGLC-CMPLNLGQSA-N 1 2 249.358 2.827 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000662412656 412155820 /nfs/dbraw/zinc/15/58/20/412155820.db2.gz RRQXVIAVFFVGOI-JQWIXIFHSA-N 1 2 247.342 2.819 20 0 BFADLO CC[C@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121379890 171628809 /nfs/dbraw/zinc/62/88/09/171628809.db2.gz TUEPMUMWQONTHT-NSHDSACASA-N 1 2 233.315 2.654 20 0 BFADLO CCc1noc(C)c1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000282446288 172079461 /nfs/dbraw/zinc/07/94/61/172079461.db2.gz FCCMXDPTUQUXLQ-VIFPVBQESA-N 1 2 249.314 2.693 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cccc(C)n1 ZINC000339603721 172096385 /nfs/dbraw/zinc/09/63/85/172096385.db2.gz QYEREKBOFRFXGY-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000339603721 172096386 /nfs/dbraw/zinc/09/63/86/172096386.db2.gz QYEREKBOFRFXGY-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCn1cc(NCCCc2ccc(C)[nH+]c2)cn1 ZINC000354587657 172184877 /nfs/dbraw/zinc/18/48/77/172184877.db2.gz ULTYNQKLEIIFQH-UHFFFAOYSA-N 1 2 244.342 2.651 20 0 BFADLO CCn1cc(Nc2cc(C)[nH+]c(C(C)C)n2)cn1 ZINC000035781355 172187920 /nfs/dbraw/zinc/18/79/20/172187920.db2.gz NHQXHVFKHKOMSA-UHFFFAOYSA-N 1 2 245.330 2.868 20 0 BFADLO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc(C)on2)cn1 ZINC000281929101 172198040 /nfs/dbraw/zinc/19/80/40/172198040.db2.gz AXPIDUZICPAWGV-WDEREUQCSA-N 1 2 248.330 2.611 20 0 BFADLO CCn1ccnc1C[NH2+][C@H]1CCCc2occc21 ZINC000051921356 172224252 /nfs/dbraw/zinc/22/42/52/172224252.db2.gz LJMBTCSOIZARGH-LBPRGKRZSA-N 1 2 245.326 2.663 20 0 BFADLO CCn1ccnc1C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000296551537 172224942 /nfs/dbraw/zinc/22/49/42/172224942.db2.gz RPCWXEOQYISFGN-LLVKDONJSA-N 1 2 247.342 2.964 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(OC)c1 ZINC000051920940 172225258 /nfs/dbraw/zinc/22/52/58/172225258.db2.gz XZSMTSVJDIYLHD-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CCn1cc[nH+]c1CNc1ccccc1 ZINC000051920667 172226405 /nfs/dbraw/zinc/22/64/05/172226405.db2.gz JCCXPCKJBHEGEB-UHFFFAOYSA-N 1 2 201.273 2.515 20 0 BFADLO CCn1cc[nH+]c1CSCc1cccnc1 ZINC000341922959 172226932 /nfs/dbraw/zinc/22/69/32/172226932.db2.gz HQYARDOWVVTMBT-UHFFFAOYSA-N 1 2 233.340 2.731 20 0 BFADLO CCn1nccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000131085501 172264518 /nfs/dbraw/zinc/26/45/18/172264518.db2.gz WITJONFBHQDVFH-LLVKDONJSA-N 1 2 233.315 2.689 20 0 BFADLO CCn1nccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000131085501 172264520 /nfs/dbraw/zinc/26/45/20/172264520.db2.gz WITJONFBHQDVFH-LLVKDONJSA-N 1 2 233.315 2.689 20 0 BFADLO COC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000119646412 173607522 /nfs/dbraw/zinc/60/75/22/173607522.db2.gz KOURNGVOBVVNEQ-HNNXBMFYSA-N 1 2 247.338 2.681 20 0 BFADLO COCC(C)(C)CNc1ccc2ccccc2[nH+]1 ZINC000336787026 174069350 /nfs/dbraw/zinc/06/93/50/174069350.db2.gz DCBGCNMJBFRFPO-UHFFFAOYSA-N 1 2 244.338 2.741 20 0 BFADLO COCCC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC000151823026 174157343 /nfs/dbraw/zinc/15/73/43/174157343.db2.gz SAEMTRYUFOGMAJ-UHFFFAOYSA-N 1 2 249.358 2.794 20 0 BFADLO COCCCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000340255759 174220375 /nfs/dbraw/zinc/22/03/75/174220375.db2.gz LCEKJEXCTDDAER-UHFFFAOYSA-N 1 2 248.301 2.847 20 0 BFADLO COCCC[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309958237 174261588 /nfs/dbraw/zinc/26/15/88/174261588.db2.gz JQIUUDOJZSQKMV-ZJUUUORDSA-N 1 2 241.297 2.978 20 0 BFADLO COCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000124914877 174267083 /nfs/dbraw/zinc/26/70/83/174267083.db2.gz KMODNOUMYGATGX-UHFFFAOYSA-N 1 2 218.300 2.690 20 0 BFADLO COCC[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000179319259 174297271 /nfs/dbraw/zinc/29/72/71/174297271.db2.gz USRBXHFRUUDFDQ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO COCC[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000179319259 174297272 /nfs/dbraw/zinc/29/72/72/174297272.db2.gz USRBXHFRUUDFDQ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO COCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000354533434 174367315 /nfs/dbraw/zinc/36/73/15/174367315.db2.gz DEEGSIAIFIRMIF-UHFFFAOYSA-N 1 2 231.295 2.877 20 0 BFADLO COCCOc1ccc([NH2+]C(C)C)c(C)c1 ZINC000128559159 174368749 /nfs/dbraw/zinc/36/87/49/174368749.db2.gz SCGBBWMDXMEPBD-UHFFFAOYSA-N 1 2 223.316 2.841 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000045021269 174386430 /nfs/dbraw/zinc/38/64/30/174386430.db2.gz NTSXFMJIEQSIPO-GFCCVEGCSA-N 1 2 245.326 2.709 20 0 BFADLO COCC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000045021423 174386443 /nfs/dbraw/zinc/38/64/43/174386443.db2.gz WBOTXEQURZKFOC-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO COCC[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301495851 174386860 /nfs/dbraw/zinc/38/68/60/174386860.db2.gz AVEKOJGHQGOZBU-SNVBAGLBSA-N 1 2 237.347 2.611 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000045019462 174409270 /nfs/dbraw/zinc/40/92/70/174409270.db2.gz WSASYGWMEAEIJP-NSHDSACASA-N 1 2 222.332 2.590 20 0 BFADLO COCC[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000045019462 174409271 /nfs/dbraw/zinc/40/92/71/174409271.db2.gz WSASYGWMEAEIJP-NSHDSACASA-N 1 2 222.332 2.590 20 0 BFADLO CO[C@@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000224316701 174706258 /nfs/dbraw/zinc/70/62/58/174706258.db2.gz QCJFHPHEIMHYKF-ZETCQYMHSA-N 1 2 234.221 2.547 20 0 BFADLO COc1ccc(-c2ccc(N)[nH+]c2)cc1C ZINC000052886428 175033762 /nfs/dbraw/zinc/03/37/62/175033762.db2.gz SVVLEQUVNNLPGJ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000049714999 175079142 /nfs/dbraw/zinc/07/91/42/175079142.db2.gz XXFVTMHXZNGQKH-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(F)cc1-c1c[nH+]c(N)c(C)c1 ZINC000082730051 175127584 /nfs/dbraw/zinc/12/75/84/175127584.db2.gz CFOCNISJSZVZDR-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000069858815 175154328 /nfs/dbraw/zinc/15/43/28/175154328.db2.gz YELWZUSXKLAIMD-CMPLNLGQSA-N 1 2 221.300 2.675 20 0 BFADLO COc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000069858824 175155300 /nfs/dbraw/zinc/15/53/00/175155300.db2.gz YELWZUSXKLAIMD-JQWIXIFHSA-N 1 2 221.300 2.675 20 0 BFADLO COc1ccc2[nH+]c(C)nc(NCC3CC3)c2c1 ZINC000301951921 175227443 /nfs/dbraw/zinc/22/74/43/175227443.db2.gz JFEGZMPCHGFBAR-UHFFFAOYSA-N 1 2 243.310 2.769 20 0 BFADLO COc1cccc(OC)c1C[NH2+]Cc1ccco1 ZINC000037927554 175281866 /nfs/dbraw/zinc/28/18/66/175281866.db2.gz SUODERFARMRRDE-UHFFFAOYSA-N 1 2 247.294 2.587 20 0 BFADLO COc1cccc(OCc2c[nH+]ccc2OC)c1 ZINC000341186434 175283872 /nfs/dbraw/zinc/28/38/72/175283872.db2.gz YRYNJMIMVYYIAM-UHFFFAOYSA-N 1 2 245.278 2.678 20 0 BFADLO COc1cccc(SCCn2cc[nH+]c2)c1 ZINC000121895193 175285533 /nfs/dbraw/zinc/28/55/33/175285533.db2.gz SLQVRAQLQGSKGP-UHFFFAOYSA-N 1 2 234.324 2.684 20 0 BFADLO COc1cccc2c1cc[nH+]c2NCCCCF ZINC000336790749 175298499 /nfs/dbraw/zinc/29/84/99/175298499.db2.gz LZKDCWSSMDWFGX-UHFFFAOYSA-N 1 2 248.301 2.827 20 0 BFADLO COc1cccc2c(NC[C@@H](C)OC)cc[nH+]c12 ZINC000276021586 175299668 /nfs/dbraw/zinc/29/96/68/175299668.db2.gz KMCVLYNWNLPFED-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO COc1cccc2c1cc[nH+]c2NCCF ZINC000304245979 175300518 /nfs/dbraw/zinc/30/05/18/175300518.db2.gz FRHWGCFTRKNGKB-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO COc1cc[nH+]cc1CSCCOC(C)C ZINC000289411469 175373783 /nfs/dbraw/zinc/37/37/83/175373783.db2.gz OPTFTKDTIOOWCJ-UHFFFAOYSA-N 1 2 241.356 2.748 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC1CC(C)(C)C1 ZINC000339580403 175374883 /nfs/dbraw/zinc/37/48/83/175374883.db2.gz RBYGOTHXVRTACT-UHFFFAOYSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC(C)(C)C1CC1 ZINC000293380207 175374920 /nfs/dbraw/zinc/37/49/20/175374920.db2.gz JTLPSCYZBMIGPM-UHFFFAOYSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1=CCCCCC1 ZINC000274754791 175375349 /nfs/dbraw/zinc/37/53/49/175375349.db2.gz MELZDVYKDSLKAG-UHFFFAOYSA-N 1 2 246.310 2.919 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1cc(C)oc1C ZINC000303028386 175376241 /nfs/dbraw/zinc/37/62/41/175376241.db2.gz NKPZXBLSMCENSG-UHFFFAOYSA-N 1 2 246.266 2.552 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc(F)c1F ZINC000179912421 175895508 /nfs/dbraw/zinc/89/55/08/175895508.db2.gz KZFKWCUYSYRFIH-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCO2)C1CC1 ZINC000037103858 175932422 /nfs/dbraw/zinc/93/24/22/175932422.db2.gz XEFVLXNOKRSBFC-SECBINFHSA-N 1 2 203.285 2.832 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nccn1C ZINC000057620368 176020557 /nfs/dbraw/zinc/02/05/57/176020557.db2.gz MKSMJARLZAKSDB-LBPRGKRZSA-N 1 2 229.327 2.613 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nccn1C ZINC000057620368 176020558 /nfs/dbraw/zinc/02/05/58/176020558.db2.gz MKSMJARLZAKSDB-LBPRGKRZSA-N 1 2 229.327 2.613 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cncs1 ZINC000131044658 176031943 /nfs/dbraw/zinc/03/19/43/176031943.db2.gz FTJVOHDQTRHZQN-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cncs1 ZINC000131044658 176031945 /nfs/dbraw/zinc/03/19/45/176031945.db2.gz FTJVOHDQTRHZQN-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1cnccn1)[N@@H+]1CCc2sccc2C1 ZINC000184415959 176036545 /nfs/dbraw/zinc/03/65/45/176036545.db2.gz MFWWVSQURRBLDX-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H](c1cnccn1)[N@H+]1CCc2sccc2C1 ZINC000184415959 176036546 /nfs/dbraw/zinc/03/65/46/176036546.db2.gz MFWWVSQURRBLDX-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H](c1nncn1C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000287593363 176039738 /nfs/dbraw/zinc/03/97/38/176039738.db2.gz CWOKOYRTEGBTCO-NSHDSACASA-N 1 2 248.374 2.554 20 0 BFADLO C[C@@H](c1nncn1C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000287593363 176039739 /nfs/dbraw/zinc/03/97/39/176039739.db2.gz CWOKOYRTEGBTCO-NSHDSACASA-N 1 2 248.374 2.554 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](F)C1 ZINC000336263123 176039755 /nfs/dbraw/zinc/03/97/55/176039755.db2.gz SLIMDCZXCIKHBB-UWVGGRQHSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](F)C1 ZINC000336263123 176039756 /nfs/dbraw/zinc/03/97/56/176039756.db2.gz SLIMDCZXCIKHBB-UWVGGRQHSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@@H]1CCCC[C@H]1CNc1ccc(CO)c[nH+]1 ZINC000340576455 176085663 /nfs/dbraw/zinc/08/56/63/176085663.db2.gz HVKCHRVKXWXYEX-YPMHNXCESA-N 1 2 234.343 2.812 20 0 BFADLO C[C@@H]1CCCC[C@H]1Oc1cc(N)cc[nH+]1 ZINC000043569476 176090523 /nfs/dbraw/zinc/09/05/23/176090523.db2.gz CVKLXUBMDKFCEN-MWLCHTKSSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000264714173 176103575 /nfs/dbraw/zinc/10/35/75/176103575.db2.gz TWEMTLSFAHDVSC-LLVKDONJSA-N 1 2 231.343 2.980 20 0 BFADLO C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)[C@@H]1C ZINC000020055063 176123210 /nfs/dbraw/zinc/12/32/10/176123210.db2.gz HFFPPTSLVYATDO-IWSPIJDZSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H]1CCC[C@@H](Nc2nc[nH+]c(N)c2Cl)C1 ZINC000300333770 176125168 /nfs/dbraw/zinc/12/51/68/176125168.db2.gz SLMYIRKQRIQRTL-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCC[C@@H](Nc2[nH+]cnc(N)c2Cl)C1 ZINC000300333770 176125169 /nfs/dbraw/zinc/12/51/69/176125169.db2.gz SLMYIRKQRIQRTL-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)[C@@H]1C ZINC000020055067 176143256 /nfs/dbraw/zinc/14/32/56/176143256.db2.gz HFFPPTSLVYATDO-HLTSFMKQSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000306149393 176178974 /nfs/dbraw/zinc/17/89/74/176178974.db2.gz DTDBKYIONOZAHQ-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000306149393 176178976 /nfs/dbraw/zinc/17/89/76/176178976.db2.gz DTDBKYIONOZAHQ-SSDOTTSWSA-N 1 2 216.737 2.638 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCC1=O ZINC000168892336 176280867 /nfs/dbraw/zinc/28/08/67/176280867.db2.gz YHYPNVCKHGOGHT-OQHXTRMZSA-N 1 2 229.323 2.611 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCC1=O ZINC000168892336 176280869 /nfs/dbraw/zinc/28/08/69/176280869.db2.gz YHYPNVCKHGOGHT-OQHXTRMZSA-N 1 2 229.323 2.611 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CC(C)(C)O1 ZINC000352744341 176303536 /nfs/dbraw/zinc/30/35/36/176303536.db2.gz ZVHYJRWZDLWKSQ-SECBINFHSA-N 1 2 243.734 2.932 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CC(C)(C)O1 ZINC000352744341 176303537 /nfs/dbraw/zinc/30/35/37/176303537.db2.gz ZVHYJRWZDLWKSQ-SECBINFHSA-N 1 2 243.734 2.932 20 0 BFADLO C[C@@H]1COCC[C@H]1[NH2+]c1ccc2c(c1)CCCO2 ZINC000192687869 176345119 /nfs/dbraw/zinc/34/51/19/176345119.db2.gz STKRKIOKPSLUBR-BXUZGUMPSA-N 1 2 247.338 2.849 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)CCO1 ZINC000271392219 176380351 /nfs/dbraw/zinc/38/03/51/176380351.db2.gz MBIBCGLRBOGFEI-MNOVXSKESA-N 1 2 243.310 2.609 20 0 BFADLO c1n[nH]c2c1C[N@H+](C[C@H]1CC=CCC1)CCC2 ZINC000668841860 487634141 /nfs/dbraw/zinc/63/41/41/487634141.db2.gz RYPOVLZSMOKPEC-LBPRGKRZSA-N 1 2 231.343 2.514 20 0 BFADLO c1n[nH]c2c1C[N@@H+](C[C@H]1CC=CCC1)CCC2 ZINC000668841860 487634145 /nfs/dbraw/zinc/63/41/45/487634145.db2.gz RYPOVLZSMOKPEC-LBPRGKRZSA-N 1 2 231.343 2.514 20 0 BFADLO C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000237520473 177118336 /nfs/dbraw/zinc/11/83/36/177118336.db2.gz FJJVONUZIFNVBT-WDEREUQCSA-N 1 2 247.342 2.819 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301870958 177126487 /nfs/dbraw/zinc/12/64/87/177126487.db2.gz IRAZNHVQXRGKFO-ONGXEEELSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@H]1CCC[C@H](c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000278212875 177139127 /nfs/dbraw/zinc/13/91/27/177139127.db2.gz WJISWZFYHXJRDW-QWRGUYRKSA-N 1 2 246.314 2.608 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]c2ccccc2n1C ZINC000270543730 177171874 /nfs/dbraw/zinc/17/18/74/177171874.db2.gz CYDSNJRVVYUDJW-WDEREUQCSA-N 1 2 229.327 2.808 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000123414344 177187865 /nfs/dbraw/zinc/18/78/65/177187865.db2.gz SCTXLFXDQLNPSD-AOOOYVTPSA-N 1 2 237.347 2.740 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000123414344 177187868 /nfs/dbraw/zinc/18/78/68/177187868.db2.gz SCTXLFXDQLNPSD-AOOOYVTPSA-N 1 2 237.347 2.740 20 0 BFADLO C[C@H]1CC[C@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000301902327 177199905 /nfs/dbraw/zinc/19/99/05/177199905.db2.gz OBWCOBPCJSQVKH-UWVGGRQHSA-N 1 2 215.300 2.940 20 0 BFADLO C[C@H]1CC[C@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000302521331 177205382 /nfs/dbraw/zinc/20/53/82/177205382.db2.gz IWNFJSNXRLTWCN-UWVGGRQHSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2Cl)CCC1=O ZINC000049693477 177267032 /nfs/dbraw/zinc/26/70/32/177267032.db2.gz YJYNEMMMWXWLHF-JTQLQIEISA-N 1 2 237.730 2.751 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC1=O ZINC000049693477 177267034 /nfs/dbraw/zinc/26/70/34/177267034.db2.gz YJYNEMMMWXWLHF-JTQLQIEISA-N 1 2 237.730 2.751 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000278501032 177292331 /nfs/dbraw/zinc/29/23/31/177292331.db2.gz VMQJGXCUYFKLRS-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cc(Cl)cs1 ZINC000278501032 177292332 /nfs/dbraw/zinc/29/23/32/177292332.db2.gz VMQJGXCUYFKLRS-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000069760909 177305389 /nfs/dbraw/zinc/30/53/89/177305389.db2.gz PODQWOIVTIJFJI-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)nc1 ZINC000069760909 177305391 /nfs/dbraw/zinc/30/53/91/177305391.db2.gz PODQWOIVTIJFJI-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000340021494 177317265 /nfs/dbraw/zinc/31/72/65/177317265.db2.gz UCMQACHIVGXKRW-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000340021494 177317267 /nfs/dbraw/zinc/31/72/67/177317267.db2.gz UCMQACHIVGXKRW-MNOVXSKESA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000091810487 177352039 /nfs/dbraw/zinc/35/20/39/177352039.db2.gz VLECTBPFACTUAL-GVXVVHGQSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000091810487 177352041 /nfs/dbraw/zinc/35/20/41/177352041.db2.gz VLECTBPFACTUAL-GVXVVHGQSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)c2nccn21 ZINC000293574985 177371041 /nfs/dbraw/zinc/37/10/41/177371041.db2.gz AFLJSKGAVTXXGO-GWCFXTLKSA-N 1 2 245.301 2.818 20 0 BFADLO Fc1ccc([C@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000674870528 487639294 /nfs/dbraw/zinc/63/92/94/487639294.db2.gz QFKMWBYFXPZFQX-JTQLQIEISA-N 1 2 229.245 2.880 20 0 BFADLO Fc1ccc([C@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000674870528 487639297 /nfs/dbraw/zinc/63/92/97/487639297.db2.gz QFKMWBYFXPZFQX-JTQLQIEISA-N 1 2 229.245 2.880 20 0 BFADLO COc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000568273721 322932841 /nfs/dbraw/zinc/93/28/41/322932841.db2.gz YGDCTAAEUWOLSS-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CC(C)(C)C ZINC000478559318 225169522 /nfs/dbraw/zinc/16/95/22/225169522.db2.gz GUTUZPDJERZBFI-UHFFFAOYSA-N 1 2 235.306 2.592 20 0 BFADLO Cc1ccc(NC/C=C\c2ccncc2)c[nH+]1 ZINC000487325446 225299634 /nfs/dbraw/zinc/29/96/34/225299634.db2.gz VOMXLMHVIAWWGJ-IHWYPQMZSA-N 1 2 225.295 2.910 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(F)c1 ZINC000492977841 226095908 /nfs/dbraw/zinc/09/59/08/226095908.db2.gz BDZIJASWMDQBSJ-HWKANZROSA-N 1 2 245.257 2.509 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)c(F)c1 ZINC000492977842 226096199 /nfs/dbraw/zinc/09/61/99/226096199.db2.gz BDZIJASWMDQBSJ-HYXAFXHYSA-N 1 2 245.257 2.509 20 0 BFADLO Cc1cc(NC(=O)C=CC2CCCC2)c(C)c[nH+]1 ZINC000493164782 226143159 /nfs/dbraw/zinc/14/31/59/226143159.db2.gz WFBCSGSNXTVPLW-BQYQJAHWSA-N 1 2 244.338 2.805 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000228482453 487656872 /nfs/dbraw/zinc/65/68/72/487656872.db2.gz SEZKGEJOOWILLE-IUCAKERBSA-N 1 2 229.270 2.999 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(O)c1 ZINC000228503503 487667478 /nfs/dbraw/zinc/66/74/78/487667478.db2.gz IQEHYJOOYZTJLN-HTQZYQBOSA-N 1 2 215.243 2.696 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@@H]2C)co1 ZINC000528772135 262973027 /nfs/dbraw/zinc/97/30/27/262973027.db2.gz KRJSSYPSWVGGFT-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)co1 ZINC000528772135 262973029 /nfs/dbraw/zinc/97/30/29/262973029.db2.gz KRJSSYPSWVGGFT-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C2CCCC2)c(C)c[nH+]1 ZINC000676588368 487699355 /nfs/dbraw/zinc/69/93/55/487699355.db2.gz YGNMFFHXJDUXKB-LBPRGKRZSA-N 1 2 246.354 2.885 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2c[nH]cn2)s1 ZINC000668423309 487728889 /nfs/dbraw/zinc/72/88/89/487728889.db2.gz UWEXVSDLZRIPIR-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2c[nH]cn2)s1 ZINC000668423309 487728891 /nfs/dbraw/zinc/72/88/91/487728891.db2.gz UWEXVSDLZRIPIR-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cnc[nH]2)s1 ZINC000668423309 487728893 /nfs/dbraw/zinc/72/88/93/487728893.db2.gz UWEXVSDLZRIPIR-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cnc[nH]2)s1 ZINC000668423309 487728896 /nfs/dbraw/zinc/72/88/96/487728896.db2.gz UWEXVSDLZRIPIR-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cocn2)oc1C ZINC000309812908 487738420 /nfs/dbraw/zinc/73/84/20/487738420.db2.gz UQPYOLJEJDBDGB-SECBINFHSA-N 1 2 220.272 2.735 20 0 BFADLO CCc1cc(N[C@H](C)[C@](C)(OC)C2CC2)nc[nH+]1 ZINC000665745790 487746997 /nfs/dbraw/zinc/74/69/97/487746997.db2.gz KCANAQQDFCQDEH-YGRLFVJLSA-N 1 2 249.358 2.655 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ncccn2)s1 ZINC000054459495 487753586 /nfs/dbraw/zinc/75/35/86/487753586.db2.gz UAJIXYODRIEQPP-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H]1F ZINC000679193314 487776738 /nfs/dbraw/zinc/77/67/38/487776738.db2.gz UHNGDFXJPBOORF-MWLCHTKSSA-N 1 2 235.306 2.538 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H]1F ZINC000679193315 487776853 /nfs/dbraw/zinc/77/68/53/487776853.db2.gz UHNGDFXJPBOORF-ONGXEEELSA-N 1 2 235.306 2.538 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000764485934 585466518 /nfs/dbraw/zinc/46/65/18/585466518.db2.gz PQQZWBAPADETDQ-QMMMGPOBSA-N 1 2 225.229 2.619 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000764485934 585466519 /nfs/dbraw/zinc/46/65/19/585466519.db2.gz PQQZWBAPADETDQ-QMMMGPOBSA-N 1 2 225.229 2.619 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)[C@@H]1CCCOC1 ZINC000844404016 588190106 /nfs/dbraw/zinc/19/01/06/588190106.db2.gz JCHVSMQPZCZKQU-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)[C@@H]1CCCOC1 ZINC000844404016 588190108 /nfs/dbraw/zinc/19/01/08/588190108.db2.gz JCHVSMQPZCZKQU-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO Cc1ccc(N[C@H]2CCOC(C)(C)C2)c[nH+]1 ZINC000164572746 487844309 /nfs/dbraw/zinc/84/43/09/487844309.db2.gz GNERAMMENRSRTQ-NSHDSACASA-N 1 2 220.316 2.760 20 0 BFADLO CC[C@@H](C[N@@H+](CC(F)F)C1CCC1)OC ZINC000887102644 592443575 /nfs/dbraw/zinc/44/35/75/592443575.db2.gz YYPPCESTDCPBBY-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO Cc1nnc(C[N@@H+](C)CCCC(C)C)s1 ZINC000681712450 487848100 /nfs/dbraw/zinc/84/81/00/487848100.db2.gz XKJPEHCPFABDQN-UHFFFAOYSA-N 1 2 227.377 2.715 20 0 BFADLO Cc1nnc(C[N@H+](C)CCCC(C)C)s1 ZINC000681712450 487848103 /nfs/dbraw/zinc/84/81/03/487848103.db2.gz XKJPEHCPFABDQN-UHFFFAOYSA-N 1 2 227.377 2.715 20 0 BFADLO Cc1cn2ccc(NC(=O)NC(C)(C)C)cc2[nH+]1 ZINC000668156601 487855600 /nfs/dbraw/zinc/85/56/00/487855600.db2.gz VIUABOJWWOULOU-UHFFFAOYSA-N 1 2 246.314 2.563 20 0 BFADLO c1cc2[nH+]ccc(N3CCC[C@H]4C[C@H]43)c2cn1 ZINC000672322849 487895041 /nfs/dbraw/zinc/89/50/41/487895041.db2.gz PKGBBZXZRKUOLW-IINYFYTJSA-N 1 2 225.295 2.619 20 0 BFADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(F)F ZINC000676709682 487897005 /nfs/dbraw/zinc/89/70/05/487897005.db2.gz RYCOOMFOQGKWQY-JOYOIKCWSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(F)F ZINC000676709682 487897010 /nfs/dbraw/zinc/89/70/10/487897010.db2.gz RYCOOMFOQGKWQY-JOYOIKCWSA-N 1 2 241.281 2.576 20 0 BFADLO FC1(F)CN(Cc2[nH]cc[nH+]2)Cc2ccccc21 ZINC000676707697 487897814 /nfs/dbraw/zinc/89/78/14/487897814.db2.gz DXMIRYKTJCYSBD-UHFFFAOYSA-N 1 2 249.264 2.517 20 0 BFADLO c1ccc2[nH+]c(N3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC000672323282 487908505 /nfs/dbraw/zinc/90/85/05/487908505.db2.gz DGYIPOGMSIPCPY-JOYOIKCWSA-N 1 2 213.284 2.552 20 0 BFADLO Cc1cc(C)cc(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000676798643 487932280 /nfs/dbraw/zinc/93/22/80/487932280.db2.gz VBVBRYDMDXIVFY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)cc(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000676798643 487932284 /nfs/dbraw/zinc/93/22/84/487932284.db2.gz VBVBRYDMDXIVFY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)cc(C[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676798643 487932288 /nfs/dbraw/zinc/93/22/88/487932288.db2.gz VBVBRYDMDXIVFY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)cc(C[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676798643 487932293 /nfs/dbraw/zinc/93/22/93/487932293.db2.gz VBVBRYDMDXIVFY-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000676796182 487932488 /nfs/dbraw/zinc/93/24/88/487932488.db2.gz DPAWAPUUFXRLOC-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000676796182 487932491 /nfs/dbraw/zinc/93/24/91/487932491.db2.gz DPAWAPUUFXRLOC-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)cc1 ZINC000676796182 487932495 /nfs/dbraw/zinc/93/24/95/487932495.db2.gz DPAWAPUUFXRLOC-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3cn[nH]c3C2)cc1 ZINC000676796182 487932499 /nfs/dbraw/zinc/93/24/99/487932499.db2.gz DPAWAPUUFXRLOC-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccsc1 ZINC000669938439 487943242 /nfs/dbraw/zinc/94/32/42/487943242.db2.gz NWSKVERLWCPXKX-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO c1[nH]cc(NCc2coc(-c3ccccc3)n2)[nH+]1 ZINC000558575663 322952083 /nfs/dbraw/zinc/95/20/83/322952083.db2.gz TWLOIOJHPHUOMB-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO c1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]c1 ZINC000403674928 322978214 /nfs/dbraw/zinc/97/82/14/322978214.db2.gz OTEDZKOFGJSJMR-UTUOFQBUSA-N 1 2 202.301 2.930 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccncc2F)on1 ZINC000559767477 322979834 /nfs/dbraw/zinc/97/98/34/322979834.db2.gz XHHHERKTRBMBBM-SECBINFHSA-N 1 2 249.289 2.622 20 0 BFADLO C[C@@H]([NH2+]Cc1cscn1)c1cncc(F)c1 ZINC000127383967 323005031 /nfs/dbraw/zinc/00/50/31/323005031.db2.gz PTRKIXGAISHWPB-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CCc1cccc(C[NH2+][C@H](C)c2nnc(C)o2)c1 ZINC000569873607 323043395 /nfs/dbraw/zinc/04/33/95/323043395.db2.gz HSVFKTZUJKKUSM-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO Fc1cccc(C[NH2+]Cc2nccs2)c1F ZINC000064621289 323047717 /nfs/dbraw/zinc/04/77/17/323047717.db2.gz KXHDOUBCQHKNMG-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO CCC[C@H](CC)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000570049792 323048192 /nfs/dbraw/zinc/04/81/92/323048192.db2.gz IHQFLNOQXIDJIS-NEPJUHHUSA-N 1 2 237.347 2.529 20 0 BFADLO CCc1cnc(C[NH2+]C2(CF)CCC2)s1 ZINC000570515014 323061507 /nfs/dbraw/zinc/06/15/07/323061507.db2.gz ZIXPIDSTPOCPEG-UHFFFAOYSA-N 1 2 228.336 2.687 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cnc2ccccn12 ZINC000157388838 323093927 /nfs/dbraw/zinc/09/39/27/323093927.db2.gz JJPMPJQPUGQTAP-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cnc2ccccn12 ZINC000157388838 323093928 /nfs/dbraw/zinc/09/39/28/323093928.db2.gz JJPMPJQPUGQTAP-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCC[C@H]1C ZINC000531490565 323098611 /nfs/dbraw/zinc/09/86/11/323098611.db2.gz QRLNQGICVQLXFJ-ZYHUDNBSSA-N 1 2 249.358 2.551 20 0 BFADLO C[C@H](CC(=O)N[C@@H]1CCC(C)(C)C1)n1cc[nH+]c1 ZINC000563217624 323103887 /nfs/dbraw/zinc/10/38/87/323103887.db2.gz OAODSAQUKSKUQM-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@H](CC(=O)N[C@H]1CCC(C)(C)C1)n1cc[nH+]c1 ZINC000563217623 323103903 /nfs/dbraw/zinc/10/39/03/323103903.db2.gz OAODSAQUKSKUQM-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)Cc1ccoc1 ZINC000571032025 323104151 /nfs/dbraw/zinc/10/41/51/323104151.db2.gz GOBMUECJMUTYGA-SNVBAGLBSA-N 1 2 232.283 2.726 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CCC[C@H](F)C1 ZINC000563273384 323107398 /nfs/dbraw/zinc/10/73/98/323107398.db2.gz QBGHPFKYRGCZGS-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CCC[C@H](F)C1 ZINC000563273384 323107399 /nfs/dbraw/zinc/10/73/99/323107399.db2.gz QBGHPFKYRGCZGS-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1 ZINC000534299985 323115823 /nfs/dbraw/zinc/11/58/23/323115823.db2.gz QIJONUSNSLDEJL-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO Cc1cc(NC(=O)N(C)[C@@H](C)C(C)C)c(C)c[nH+]1 ZINC000534324964 323116605 /nfs/dbraw/zinc/11/66/05/323116605.db2.gz WFPDIARAVLCVFX-LBPRGKRZSA-N 1 2 249.358 2.629 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCC1=O ZINC000310028990 323127432 /nfs/dbraw/zinc/12/74/32/323127432.db2.gz YHYPNVCKHGOGHT-DMTLFAOVSA-N 1 2 229.323 2.611 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CCC1=O ZINC000310028990 323127433 /nfs/dbraw/zinc/12/74/33/323127433.db2.gz YHYPNVCKHGOGHT-DMTLFAOVSA-N 1 2 229.323 2.611 20 0 BFADLO Cc1cscc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000571215221 323138201 /nfs/dbraw/zinc/13/82/01/323138201.db2.gz ZLQDFLKFFUOOGV-JTQLQIEISA-N 1 2 249.339 2.843 20 0 BFADLO Cc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1C ZINC000571414766 323144003 /nfs/dbraw/zinc/14/40/03/323144003.db2.gz YTFGUNBPESSFAR-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC000050051360 323165149 /nfs/dbraw/zinc/16/51/49/323165149.db2.gz QCPXATOQNOASCW-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1ccc(C)c(C)c1 ZINC000050051360 323165150 /nfs/dbraw/zinc/16/51/50/323165150.db2.gz QCPXATOQNOASCW-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO Cc1ccc(NC(=O)N2C3CCC2CC3)c(C)[nH+]1 ZINC000532033830 323168860 /nfs/dbraw/zinc/16/88/60/323168860.db2.gz GGMLAWJGUPOXRG-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2C)oc1C ZINC000064249417 323170171 /nfs/dbraw/zinc/17/01/71/323170171.db2.gz QCKQTVXBZJKUHH-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2C)oc1C ZINC000064249417 323170172 /nfs/dbraw/zinc/17/01/72/323170172.db2.gz QCKQTVXBZJKUHH-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccc(C)c(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000563820042 323179164 /nfs/dbraw/zinc/17/91/64/323179164.db2.gz FWNUZMSVYFLPNW-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO Cc1nc(N[C@H](c2cccnc2)C2CC2)cc[nH+]1 ZINC000536135022 323196157 /nfs/dbraw/zinc/19/61/57/323196157.db2.gz GEAAJSGWHBVVFF-AWEZNQCLSA-N 1 2 240.310 2.743 20 0 BFADLO CCC[C@@H](CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000536619302 323198688 /nfs/dbraw/zinc/19/86/88/323198688.db2.gz YVJOIQHWJPYKKI-GFCCVEGCSA-N 1 2 249.358 2.821 20 0 BFADLO Cc1cccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000076797260 323201330 /nfs/dbraw/zinc/20/13/30/323201330.db2.gz RBMQCUMOCWYEAQ-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1cccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000076797260 323201331 /nfs/dbraw/zinc/20/13/31/323201331.db2.gz RBMQCUMOCWYEAQ-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccc(O)c2)o1 ZINC000536741034 323202623 /nfs/dbraw/zinc/20/26/23/323202623.db2.gz FCXCHQBHSGZEHK-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccc(O)c2)o1 ZINC000536741034 323202624 /nfs/dbraw/zinc/20/26/24/323202624.db2.gz FCXCHQBHSGZEHK-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cc2c(s1)CCC2 ZINC000532515614 323272655 /nfs/dbraw/zinc/27/26/55/323272655.db2.gz WKOGKNOPWCWHCK-SECBINFHSA-N 1 2 247.367 2.811 20 0 BFADLO CC(C)(C)OC(=O)C1([NH2+]CCCF)CCCC1 ZINC000532704144 323290354 /nfs/dbraw/zinc/29/03/54/323290354.db2.gz DQEVQXBWBLYDOR-UHFFFAOYSA-N 1 2 245.338 2.590 20 0 BFADLO F[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000571794152 323482003 /nfs/dbraw/zinc/48/20/03/323482003.db2.gz KMBFDNUTNCIMCH-WDEREUQCSA-N 1 2 245.301 2.744 20 0 BFADLO CC[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000527845489 323702980 /nfs/dbraw/zinc/70/29/80/323702980.db2.gz KAIDQPNFTLUHNV-LLVKDONJSA-N 1 2 220.316 2.717 20 0 BFADLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459513271 324147899 /nfs/dbraw/zinc/14/78/99/324147899.db2.gz OVTLXHYGBLWSRU-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459513271 324147903 /nfs/dbraw/zinc/14/79/03/324147903.db2.gz OVTLXHYGBLWSRU-LLVKDONJSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc[nH+]c1NCC1(C)CCC1 ZINC000234947934 324150362 /nfs/dbraw/zinc/15/03/62/324150362.db2.gz ZRTBCSZTRATERQ-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO CC(C)c1nc(NC[C@@]2(C)CCCO2)cc[nH+]1 ZINC000152565112 324187091 /nfs/dbraw/zinc/18/70/91/324187091.db2.gz KPBZWFCMBRBWNZ-CYBMUJFWSA-N 1 2 235.331 2.581 20 0 BFADLO COCC[N@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529521456 324323191 /nfs/dbraw/zinc/32/31/91/324323191.db2.gz OMXYFNJNVGDJRC-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO COCC[N@@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529521456 324323194 /nfs/dbraw/zinc/32/31/94/324323194.db2.gz OMXYFNJNVGDJRC-UHFFFAOYSA-N 1 2 249.688 2.696 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2cnccc2C)C1 ZINC000529639792 324369044 /nfs/dbraw/zinc/36/90/44/324369044.db2.gz FCLYOUFIADYSKC-UHFFFAOYSA-N 1 2 248.370 2.779 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCCOC1 ZINC000530384019 324590760 /nfs/dbraw/zinc/59/07/60/324590760.db2.gz RDLRJLBNGQRQSP-LBPRGKRZSA-N 1 2 235.327 2.758 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C)c2)o1 ZINC000541690999 324972299 /nfs/dbraw/zinc/97/22/99/324972299.db2.gz LKYWUFOBOMXGRM-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO Cn1c[nH+]cc1CNc1cc(F)ccc1Cl ZINC000230152971 325007559 /nfs/dbraw/zinc/00/75/59/325007559.db2.gz MBGSGPHGZAONSV-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1CCc2ccccc2C1 ZINC000542914894 325062044 /nfs/dbraw/zinc/06/20/44/325062044.db2.gz JCBQRRVUTWPJPN-NSHDSACASA-N 1 2 239.309 2.988 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1CCc2ccccc2C1 ZINC000542914894 325062047 /nfs/dbraw/zinc/06/20/47/325062047.db2.gz JCBQRRVUTWPJPN-NSHDSACASA-N 1 2 239.309 2.988 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C12CCC(CC1)C2 ZINC000543281424 325079264 /nfs/dbraw/zinc/07/92/64/325079264.db2.gz HDSAWSMHESMEFH-UHFFFAOYSA-N 1 2 246.310 2.609 20 0 BFADLO C[C@H]([NH2+]Cc1ncccc1F)c1cncs1 ZINC000131249564 325129673 /nfs/dbraw/zinc/12/96/73/325129673.db2.gz LZAIQJYKTWNLTQ-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)o1 ZINC000544513875 325145456 /nfs/dbraw/zinc/14/54/56/325145456.db2.gz UZJWHIICBVTCET-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO C(c1nc(C2CCCC2)no1)[NH+]1CCCCC1 ZINC000131620787 325170833 /nfs/dbraw/zinc/17/08/33/325170833.db2.gz ZHZHRAUPIDBRDX-UHFFFAOYSA-N 1 2 235.331 2.713 20 0 BFADLO Cc1cc(C)nc(SCc2[nH+]ccn2C)c1 ZINC000682453278 487967089 /nfs/dbraw/zinc/96/70/89/487967089.db2.gz ODVOEBWMUDVONG-UHFFFAOYSA-N 1 2 233.340 2.724 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000075592392 325302033 /nfs/dbraw/zinc/30/20/33/325302033.db2.gz GNLCGOAETOYKSU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000075592392 325302034 /nfs/dbraw/zinc/30/20/34/325302034.db2.gz GNLCGOAETOYKSU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CCc1nc(C[NH+]2CCC(C(C)C)CC2)no1 ZINC000075833360 325315652 /nfs/dbraw/zinc/31/56/52/325315652.db2.gz QUFLSPJNGZGWJU-UHFFFAOYSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1cnc(C[NH2+]Cc2ccc(C)cn2)s1 ZINC000134374385 325355927 /nfs/dbraw/zinc/35/59/27/325355927.db2.gz GMPGFVASKYBCSC-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccoc2)s1 ZINC000135010120 325388367 /nfs/dbraw/zinc/38/83/67/325388367.db2.gz QDXNHSDGCCNRPE-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccoc2)s1 ZINC000135010138 325388581 /nfs/dbraw/zinc/38/85/81/325388581.db2.gz QDXNHSDGCCNRPE-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO CC[C@@H](NC(=O)C[C@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000547750161 325391474 /nfs/dbraw/zinc/39/14/74/325391474.db2.gz GEDGDUVSSRXKAL-NWDGAFQWSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1CC12CCCC2)c1[nH]cc[nH+]1 ZINC000547750143 325391568 /nfs/dbraw/zinc/39/15/68/325391568.db2.gz WNLKMXBSWAHYFR-WDEREUQCSA-N 1 2 247.342 2.557 20 0 BFADLO CCCC[C@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000135122847 325395906 /nfs/dbraw/zinc/39/59/06/325395906.db2.gz LMHWRAUNGZNASF-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO C[C@@H](F)CCOc1ccccc1-n1cc[nH+]c1 ZINC000552010848 325584771 /nfs/dbraw/zinc/58/47/71/325584771.db2.gz ZDZRYRVSZVCWES-LLVKDONJSA-N 1 2 234.274 2.999 20 0 BFADLO C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1[nH]cc[nH+]1 ZINC000552065539 325593386 /nfs/dbraw/zinc/59/33/86/325593386.db2.gz DWYARPNRQUEDBQ-NXEZZACHSA-N 1 2 245.330 2.750 20 0 BFADLO C[C@@H](NC(=O)[C@@H](C)CC1CCCC1)c1[nH]cc[nH+]1 ZINC000552227688 325612005 /nfs/dbraw/zinc/61/20/05/325612005.db2.gz MKZWZYVKMSXIRA-WDEREUQCSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C=CCCC1 ZINC000554387842 325717830 /nfs/dbraw/zinc/71/78/30/325717830.db2.gz UJKUIEHTDFIHOQ-GFCCVEGCSA-N 1 2 245.326 2.929 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C2CC2)CC1 ZINC000554387819 325717842 /nfs/dbraw/zinc/71/78/42/325717842.db2.gz OKICWYBIWZADFY-UHFFFAOYSA-N 1 2 245.326 2.763 20 0 BFADLO Cc1c([C@@H](C)[NH2+]Cc2cocn2)cnn1C(C)C ZINC000682497629 487970695 /nfs/dbraw/zinc/97/06/95/487970695.db2.gz JESCUBCXPGENMM-SNVBAGLBSA-N 1 2 248.330 2.611 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC(C(C)C)CC1 ZINC000566480646 326055895 /nfs/dbraw/zinc/05/58/95/326055895.db2.gz ZEKWNTPTUQSBNR-UHFFFAOYSA-N 1 2 233.359 2.966 20 0 BFADLO CC(C)c1cnn(Cc2[nH+]ccn2C(F)F)c1 ZINC000566855061 326088493 /nfs/dbraw/zinc/08/84/93/326088493.db2.gz LICRMJVAIGQMMO-UHFFFAOYSA-N 1 2 240.257 2.646 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cscn1 ZINC000306750586 326102968 /nfs/dbraw/zinc/10/29/68/326102968.db2.gz KSMXUZQHKVHAHM-HLTSFMKQSA-N 1 2 214.309 2.684 20 0 BFADLO Clc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000307349898 326111517 /nfs/dbraw/zinc/11/15/17/326111517.db2.gz PBCNDPWFCOGPSE-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)[C@H]1CC1(C)C ZINC000309888440 326173784 /nfs/dbraw/zinc/17/37/84/326173784.db2.gz ZGUUWVUDSZELHC-VHSXEESVSA-N 1 2 220.316 2.937 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCOCC1 ZINC000309883700 326173808 /nfs/dbraw/zinc/17/38/08/326173808.db2.gz WXTOFHVVLRYPME-WPRPVWTQSA-N 1 2 239.281 2.732 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000567367013 326175671 /nfs/dbraw/zinc/17/56/71/326175671.db2.gz QQLWDQYLZSHYBP-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@](C)([NH2+]CC1CCOCC1)C(F)(F)F ZINC000310008046 326179318 /nfs/dbraw/zinc/17/93/18/326179318.db2.gz HMRKZEMVPGDUQO-JTQLQIEISA-N 1 2 239.281 2.734 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000156869915 326245684 /nfs/dbraw/zinc/24/56/84/326245684.db2.gz WDQAHOKREHVMOZ-NWDGAFQWSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1cccn2c(/C=C/c3ccncn3)c[nH+]c12 ZINC000157310668 326267100 /nfs/dbraw/zinc/26/71/00/326267100.db2.gz NKJZLPCKTQVTNZ-SNAWJCMRSA-N 1 2 236.278 2.603 20 0 BFADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000568239736 326332923 /nfs/dbraw/zinc/33/29/23/326332923.db2.gz RWYXKHYWVZINKI-ZJUUUORDSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ncccn2)cs1 ZINC000568783129 326377683 /nfs/dbraw/zinc/37/76/83/326377683.db2.gz NQIFURXLVGAFNY-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2Cc3cccnc3C2)s1 ZINC000568994228 326385264 /nfs/dbraw/zinc/38/52/64/326385264.db2.gz GDHQSUJOSNYSAO-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO Cc1nc(C)c(C[N@H+]2Cc3cccnc3C2)s1 ZINC000568994228 326385266 /nfs/dbraw/zinc/38/52/66/326385266.db2.gz GDHQSUJOSNYSAO-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)C(C)(C)C1 ZINC000569258548 326398251 /nfs/dbraw/zinc/39/82/51/326398251.db2.gz GZWOHNLKAGXQDA-NSHDSACASA-N 1 2 233.359 2.966 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CC(F)F ZINC000682536712 487981375 /nfs/dbraw/zinc/98/13/75/487981375.db2.gz QHZYREQFVBFMAP-ZCFIWIBFSA-N 1 2 231.208 2.914 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC(F)F ZINC000682536712 487981380 /nfs/dbraw/zinc/98/13/80/487981380.db2.gz QHZYREQFVBFMAP-ZCFIWIBFSA-N 1 2 231.208 2.914 20 0 BFADLO O[C@H]1C[N@H+](CC2CCCCCC2)CC(F)(F)C1 ZINC000682547664 487986062 /nfs/dbraw/zinc/98/60/62/487986062.db2.gz TUSKUTCPLRTDSJ-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1C[N@@H+](CC2CCCCCC2)CC(F)(F)C1 ZINC000682547664 487986069 /nfs/dbraw/zinc/98/60/69/487986069.db2.gz TUSKUTCPLRTDSJ-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@H](CC1CC1)Nc1ccc2ccccc2[nH+]1 ZINC000677237731 488003559 /nfs/dbraw/zinc/00/35/59/488003559.db2.gz YVOUKLPSJVBUHK-ZDUSSCGKSA-N 1 2 242.322 2.808 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)C(F)F ZINC000682671960 488009569 /nfs/dbraw/zinc/00/95/69/488009569.db2.gz QEJGGYUQZNAREV-GHMZBOCLSA-N 1 2 240.297 2.509 20 0 BFADLO CCc1cccc2cc(C[NH+]3CCOCC3)oc21 ZINC000667461555 488013505 /nfs/dbraw/zinc/01/35/05/488013505.db2.gz FQWCQUISTIRRDC-UHFFFAOYSA-N 1 2 245.322 2.827 20 0 BFADLO Cc1nc(SCc2ccc[nH+]c2N)oc1C ZINC000235964141 488033864 /nfs/dbraw/zinc/03/38/64/488033864.db2.gz XYGLRPZZGKUEML-UHFFFAOYSA-N 1 2 235.312 2.561 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000075633623 488063974 /nfs/dbraw/zinc/06/39/74/488063974.db2.gz GWAIUZCORSLVKB-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)CCO1 ZINC000075633623 488063978 /nfs/dbraw/zinc/06/39/78/488063978.db2.gz GWAIUZCORSLVKB-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000661860842 488064995 /nfs/dbraw/zinc/06/49/95/488064995.db2.gz IVQRHXLYLMJFDN-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000661860842 488065003 /nfs/dbraw/zinc/06/50/03/488065003.db2.gz IVQRHXLYLMJFDN-GHMZBOCLSA-N 1 2 249.358 2.958 20 0 BFADLO CC[C@H](N[C@H]1CCCC1(F)F)c1[nH+]ccn1C ZINC000672622903 488076873 /nfs/dbraw/zinc/07/68/73/488076873.db2.gz YHPSUAQMZZSJBE-UWVGGRQHSA-N 1 2 243.301 2.649 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378677926 488101250 /nfs/dbraw/zinc/10/12/50/488101250.db2.gz RMYXHVBAFMHZPB-GGZOMVNGSA-N 1 2 225.311 2.649 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@@H](C)c2cscn2)o1 ZINC000382281248 487536488 /nfs/dbraw/zinc/53/64/88/487536488.db2.gz RMRZAUWKAURBLZ-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC000378906282 488110913 /nfs/dbraw/zinc/11/09/13/488110913.db2.gz FMWXNBSORLXPPY-WXHSDQCUSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccsc2)[nH]1 ZINC000392416021 487538840 /nfs/dbraw/zinc/53/88/40/487538840.db2.gz JHISETXSEVKOMI-HTQZYQBOSA-N 1 2 236.344 2.586 20 0 BFADLO CCO[C@@H](C)c1nccn1Cc1ccc[nH+]c1C ZINC000685567906 487550430 /nfs/dbraw/zinc/55/04/30/487550430.db2.gz UTYHUERLPABHPP-LBPRGKRZSA-N 1 2 245.326 2.732 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3(CC3)C2)c1 ZINC000334742949 487551220 /nfs/dbraw/zinc/55/12/20/487551220.db2.gz OLHRVOQIMCGQBH-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO C[C@H]1OCC[C@]1(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680066149 487530777 /nfs/dbraw/zinc/53/07/77/487530777.db2.gz NBUZKEXCUYVBDW-YGRLFVJLSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1nc(C[N@@H+](C)CC(C(C)C)C(C)C)no1 ZINC000668799234 487556645 /nfs/dbraw/zinc/55/66/45/487556645.db2.gz VLAIEHVUGUUIRL-UHFFFAOYSA-N 1 2 239.363 2.738 20 0 BFADLO Cc1nc(C[N@H+](C)CC(C(C)C)C(C)C)no1 ZINC000668799234 487556652 /nfs/dbraw/zinc/55/66/52/487556652.db2.gz VLAIEHVUGUUIRL-UHFFFAOYSA-N 1 2 239.363 2.738 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000679905563 487483877 /nfs/dbraw/zinc/48/38/77/487483877.db2.gz XBTKPODCCRJWPI-QWRGUYRKSA-N 1 2 234.343 2.796 20 0 BFADLO CCOC1C[NH+](Cc2cc3ccncc3s2)C1 ZINC000668231109 487495568 /nfs/dbraw/zinc/49/55/68/487495568.db2.gz MIIWVKBEKPJFSJ-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO CCOc1ccc(C[NH+]2CC(OCC)C2)c(C)c1 ZINC000668231149 487496273 /nfs/dbraw/zinc/49/62/73/487496273.db2.gz OGHBUROXASBXJD-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccsc2)n1 ZINC000381337972 487504684 /nfs/dbraw/zinc/50/46/84/487504684.db2.gz WMWXVPSAUYKTOM-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccsc2)nc1 ZINC000381527681 487511377 /nfs/dbraw/zinc/51/13/77/487511377.db2.gz XNJYERDXMPTXCZ-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CC(C)[C@H](Nc1nc[nH+]c(N)c1Cl)C1CC1 ZINC000324091661 487518681 /nfs/dbraw/zinc/51/86/81/487518681.db2.gz HZBULOVTGYTUKW-VIFPVBQESA-N 1 2 240.738 2.559 20 0 BFADLO CC(C)[C@H](Nc1[nH+]cnc(N)c1Cl)C1CC1 ZINC000324091661 487518690 /nfs/dbraw/zinc/51/86/90/487518690.db2.gz HZBULOVTGYTUKW-VIFPVBQESA-N 1 2 240.738 2.559 20 0 BFADLO Cc1cc(N2CC3(CC3)C2)nc(C(C)C)[nH+]1 ZINC000334793711 487559721 /nfs/dbraw/zinc/55/97/21/487559721.db2.gz QRZZIPFNEIHKQE-UHFFFAOYSA-N 1 2 217.316 2.509 20 0 BFADLO CCC[C@@H](C)Nc1cc(NCC2CC2)[nH+]cn1 ZINC000677501935 488054043 /nfs/dbraw/zinc/05/40/43/488054043.db2.gz PCUUZEIPYVJRIE-SNVBAGLBSA-N 1 2 234.347 2.899 20 0 BFADLO CCC[C@@H](C)Nc1cc(NCC2CC2)nc[nH+]1 ZINC000677501935 488054044 /nfs/dbraw/zinc/05/40/44/488054044.db2.gz PCUUZEIPYVJRIE-SNVBAGLBSA-N 1 2 234.347 2.899 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000683221392 488130329 /nfs/dbraw/zinc/13/03/29/488130329.db2.gz UWHATJIEAPQGHB-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CC2 ZINC000677845620 488139874 /nfs/dbraw/zinc/13/98/74/488139874.db2.gz JJOHAGLHLCLNDJ-CYBMUJFWSA-N 1 2 247.729 2.840 20 0 BFADLO CCC[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000677878347 488144987 /nfs/dbraw/zinc/14/49/87/488144987.db2.gz LWJMCUBMVNQSNG-VIFPVBQESA-N 1 2 230.315 2.813 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cocn1 ZINC000683354542 488152860 /nfs/dbraw/zinc/15/28/60/488152860.db2.gz BKASYWPHVJPPFW-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cocn1 ZINC000683354542 488152863 /nfs/dbraw/zinc/15/28/63/488152863.db2.gz BKASYWPHVJPPFW-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccon1)c1ccccn1 ZINC000678029800 488175887 /nfs/dbraw/zinc/17/58/87/488175887.db2.gz AXMBYCJKEDIDJW-GFCCVEGCSA-N 1 2 231.299 2.701 20 0 BFADLO OC[C@@H](Nc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000664170102 488190817 /nfs/dbraw/zinc/19/08/17/488190817.db2.gz ACJUSBNIQQSTIG-CQSZACIVSA-N 1 2 242.322 2.808 20 0 BFADLO Clc1cccc2[nH]c(NCc3cn[nH]c3)[nH+]c21 ZINC000683724461 488213132 /nfs/dbraw/zinc/21/31/32/488213132.db2.gz XOLNDKIVYAJUHL-UHFFFAOYSA-N 1 2 247.689 2.552 20 0 BFADLO Cc1cc(C)c(NC(=O)c2nccs2)c(C)[nH+]1 ZINC000683730128 488213890 /nfs/dbraw/zinc/21/38/90/488213890.db2.gz NBKWGJNNOVKUDM-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CCc3cc(F)ccc32)o1 ZINC000231638987 488217443 /nfs/dbraw/zinc/21/74/43/488217443.db2.gz VOYJHMUWUPTCMC-ZDUSSCGKSA-N 1 2 246.285 2.899 20 0 BFADLO COCC1(CNc2cc3cc[nH]c3c[nH+]2)CCC1 ZINC000672276578 488249909 /nfs/dbraw/zinc/24/99/09/488249909.db2.gz MSRDBWTURQESIP-UHFFFAOYSA-N 1 2 245.326 2.792 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H]2C[C@@H]21 ZINC000672322722 488251192 /nfs/dbraw/zinc/25/11/92/488251192.db2.gz JQAGFVBPLJWENH-MFKMUULPSA-N 1 2 227.311 2.562 20 0 BFADLO Cc1cc(N[C@H](C)c2cnccc2C)nc[nH+]1 ZINC000678408154 488252207 /nfs/dbraw/zinc/25/22/07/488252207.db2.gz DLVARNLMSDGOFD-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC(C(C)C)C1 ZINC000672761330 488265825 /nfs/dbraw/zinc/26/58/25/488265825.db2.gz QKEBLMMXACZDLZ-UHFFFAOYSA-N 1 2 247.342 2.818 20 0 BFADLO Fc1c[nH+]ccc1N1CCc2sccc2C1 ZINC000678788910 488283122 /nfs/dbraw/zinc/28/31/22/488283122.db2.gz QPSZRWNXNQDRBE-UHFFFAOYSA-N 1 2 234.299 2.845 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+]1CCC=C(F)C1 ZINC000679320651 488335492 /nfs/dbraw/zinc/33/54/92/488335492.db2.gz DKVIVGGLKCIVTC-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+]1CCC=C(F)C1 ZINC000679320651 488335493 /nfs/dbraw/zinc/33/54/93/488335493.db2.gz DKVIVGGLKCIVTC-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO CC(C)(C)c1nc(NCC2=CCCOC2)cc[nH+]1 ZINC000673474444 488288051 /nfs/dbraw/zinc/28/80/51/488288051.db2.gz LBIDYTDFHIKPQR-UHFFFAOYSA-N 1 2 247.342 2.533 20 0 BFADLO CCc1cc(N[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)nc[nH+]1 ZINC000678831297 488288823 /nfs/dbraw/zinc/28/88/23/488288823.db2.gz NDVXBCBCHVYZMC-ZWKOPEQDSA-N 1 2 249.358 2.510 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1CCC(F)(F)C1 ZINC000678975052 488300333 /nfs/dbraw/zinc/30/03/33/488300333.db2.gz NTMNGOLHLVAGFO-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)(C)OCCC[N@H+]1CCC(F)(F)C1 ZINC000678975052 488300335 /nfs/dbraw/zinc/30/03/35/488300335.db2.gz NTMNGOLHLVAGFO-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO Cc1ncc([C@H](C)Nc2cccc[nH+]2)c(C)n1 ZINC000679001640 488302097 /nfs/dbraw/zinc/30/20/97/488302097.db2.gz XWGYQBHDMPXOCD-JTQLQIEISA-N 1 2 228.299 2.662 20 0 BFADLO CCc1cc(NC[C@@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000684655663 488336615 /nfs/dbraw/zinc/33/66/15/488336615.db2.gz RLIOWTFIDCSLOW-SECBINFHSA-N 1 2 241.285 2.886 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cocn2)c(C)n1 ZINC000679048436 488304813 /nfs/dbraw/zinc/30/48/13/488304813.db2.gz OPAGOVVCHSKHLW-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CC(C)C[C@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000679051699 488304870 /nfs/dbraw/zinc/30/48/70/488304870.db2.gz YFANNEYATSWEMB-AWEZNQCLSA-N 1 2 245.326 2.947 20 0 BFADLO CCC(C)(C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000673763150 488307056 /nfs/dbraw/zinc/30/70/56/488307056.db2.gz YIMWEGZFOFNAAR-UHFFFAOYSA-N 1 2 246.314 2.644 20 0 BFADLO CC(C)([NH2+]Cc1[nH]nc2ccccc21)C(F)F ZINC000684413781 488309744 /nfs/dbraw/zinc/30/97/44/488309744.db2.gz CMZAGNJSACKUSB-UHFFFAOYSA-N 1 2 239.269 2.696 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@@H](F)C2)c(C)c(C)[nH+]1 ZINC000679191378 488315612 /nfs/dbraw/zinc/31/56/12/488315612.db2.gz UFHWWBBRIMUIGH-PELKAZGASA-N 1 2 237.322 2.586 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2CC=CCC2)n1 ZINC000679324616 488338331 /nfs/dbraw/zinc/33/83/31/488338331.db2.gz YNVIVFMKWUQNDS-NSHDSACASA-N 1 2 235.331 2.735 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2CC=CCC2)n1 ZINC000679324616 488338333 /nfs/dbraw/zinc/33/83/33/488338333.db2.gz YNVIVFMKWUQNDS-NSHDSACASA-N 1 2 235.331 2.735 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679474958 488353485 /nfs/dbraw/zinc/35/34/85/488353485.db2.gz MGGYRJHUEJQALC-MNOVXSKESA-N 1 2 245.326 2.955 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccon1 ZINC000679546517 488357867 /nfs/dbraw/zinc/35/78/67/488357867.db2.gz PQPACGFXOREMQK-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccon1 ZINC000679546517 488357869 /nfs/dbraw/zinc/35/78/69/488357869.db2.gz PQPACGFXOREMQK-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cncnc1)C1CC1 ZINC000119895678 490053550 /nfs/dbraw/zinc/05/35/50/490053550.db2.gz UAKXLKHZUZIVKB-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cncnc1)C1CC1 ZINC000119895678 490053553 /nfs/dbraw/zinc/05/35/53/490053553.db2.gz UAKXLKHZUZIVKB-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO Cc1ccccc1[N@H+](C[C@@H](C)CO)C(C)C ZINC000121389247 490084273 /nfs/dbraw/zinc/08/42/73/490084273.db2.gz BHFQOMGDIFCYEO-GFCCVEGCSA-N 1 2 221.344 2.838 20 0 BFADLO Cc1ccccc1[N@@H+](C[C@@H](C)CO)C(C)C ZINC000121389247 490084279 /nfs/dbraw/zinc/08/42/79/490084279.db2.gz BHFQOMGDIFCYEO-GFCCVEGCSA-N 1 2 221.344 2.838 20 0 BFADLO CO[C@@H](C)c1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679321941 490111530 /nfs/dbraw/zinc/11/15/30/490111530.db2.gz PBQWCOIRARCBRH-JTQLQIEISA-N 1 2 238.356 2.612 20 0 BFADLO CO[C@@H](C)c1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679321941 490111532 /nfs/dbraw/zinc/11/15/32/490111532.db2.gz PBQWCOIRARCBRH-JTQLQIEISA-N 1 2 238.356 2.612 20 0 BFADLO CO[C@@H](C)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC000353262266 490117645 /nfs/dbraw/zinc/11/76/45/490117645.db2.gz ZREPWXHVIMDBJV-JTQLQIEISA-N 1 2 242.388 2.733 20 0 BFADLO CO[C@@H](C)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000353262266 490117655 /nfs/dbraw/zinc/11/76/55/490117655.db2.gz ZREPWXHVIMDBJV-JTQLQIEISA-N 1 2 242.388 2.733 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccccc1F ZINC000070445003 490212268 /nfs/dbraw/zinc/21/22/68/490212268.db2.gz AHVSHOJNAAXUNV-MNOVXSKESA-N 1 2 247.317 2.971 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)C(F)F ZINC000389931702 490275166 /nfs/dbraw/zinc/27/51/66/490275166.db2.gz IZOFKEUWTLZYSL-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO Cc1cc(NC(=O)c2cccs2)cc[nH+]1 ZINC000073069175 490418874 /nfs/dbraw/zinc/41/88/74/490418874.db2.gz ASEPNHBULWKEIW-UHFFFAOYSA-N 1 2 218.281 2.704 20 0 BFADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccc(Cl)cc1 ZINC000074727127 490501148 /nfs/dbraw/zinc/50/11/48/490501148.db2.gz OSYGPTFCVHSPGL-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccc(Cl)cc1 ZINC000074727127 490501150 /nfs/dbraw/zinc/50/11/50/490501150.db2.gz OSYGPTFCVHSPGL-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO Clc1cscc1C[NH+]1CCSCC1 ZINC000306258322 490633126 /nfs/dbraw/zinc/63/31/26/490633126.db2.gz IPMUEIVZUDBTIR-UHFFFAOYSA-N 1 2 233.789 2.950 20 0 BFADLO CC[C@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301310010 490675999 /nfs/dbraw/zinc/67/59/99/490675999.db2.gz YNGREBGVYJVVSY-WCBMZHEXSA-N 1 2 203.289 2.564 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(Cl)cc2)o1 ZINC000227084399 491054737 /nfs/dbraw/zinc/05/47/37/491054737.db2.gz XUKRNWREPQIHPY-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCc1cc(NCC2(C(C)C)CC2)nc[nH+]1 ZINC000227823366 491065715 /nfs/dbraw/zinc/06/57/15/491065715.db2.gz NDGKEBSQXDGBFY-UHFFFAOYSA-N 1 2 219.332 2.887 20 0 BFADLO CCc1cc(NC[C@]2(C)CCCS2)nc[nH+]1 ZINC000087620094 491091122 /nfs/dbraw/zinc/09/11/22/491091122.db2.gz UQJNAVZOQVBRAF-LBPRGKRZSA-N 1 2 237.372 2.737 20 0 BFADLO CCc1cc(NC[C@@]2(C)CCCS2)nc[nH+]1 ZINC000087620097 491091135 /nfs/dbraw/zinc/09/11/35/491091135.db2.gz UQJNAVZOQVBRAF-GFCCVEGCSA-N 1 2 237.372 2.737 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]CC(F)F ZINC000088162781 491094532 /nfs/dbraw/zinc/09/45/32/491094532.db2.gz WBDYEVYLBBNVBC-MRVPVSSYSA-N 1 2 215.243 2.611 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]CC(F)F)c1 ZINC000088162475 491094548 /nfs/dbraw/zinc/09/45/48/491094548.db2.gz QJABPMTZNUMFEI-MRVPVSSYSA-N 1 2 215.243 2.611 20 0 BFADLO Cc1cc(C)nc(SCc2cc[nH+]c(N)c2)c1 ZINC000229862982 491121352 /nfs/dbraw/zinc/12/13/52/491121352.db2.gz NRPMUFTZVXYOPA-UHFFFAOYSA-N 1 2 245.351 2.968 20 0 BFADLO CC[N@H+](Cc1nc(C)no1)Cc1ccc(C)cc1 ZINC000519918402 491123488 /nfs/dbraw/zinc/12/34/88/491123488.db2.gz PVNADDBLSQDJOX-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nc(C)no1)Cc1ccc(C)cc1 ZINC000519918402 491123489 /nfs/dbraw/zinc/12/34/89/491123489.db2.gz PVNADDBLSQDJOX-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CS[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000336203986 491123958 /nfs/dbraw/zinc/12/39/58/491123958.db2.gz DSUKTHGYMBZAKF-SNVBAGLBSA-N 1 2 247.367 2.515 20 0 BFADLO CCc1cc(NC[C@@H]2CCC[C@H]2C)nc[nH+]1 ZINC000230692993 491130638 /nfs/dbraw/zinc/13/06/38/491130638.db2.gz KXJOPJPDHGAUOX-MNOVXSKESA-N 1 2 219.332 2.887 20 0 BFADLO C[C@@H](Nc1cccc(F)c1)c1[nH]cc[nH+]1 ZINC000309088615 491144425 /nfs/dbraw/zinc/14/44/25/491144425.db2.gz AHJQHIBYJYPOKR-MRVPVSSYSA-N 1 2 205.236 2.722 20 0 BFADLO Cc1cc(F)ccc1C[N@H+](C)Cc1ncccn1 ZINC000488078365 533877839 /nfs/dbraw/zinc/87/78/39/533877839.db2.gz SPBOLPFJXHDZEL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+](C)Cc1ncccn1 ZINC000488078365 533877847 /nfs/dbraw/zinc/87/78/47/533877847.db2.gz SPBOLPFJXHDZEL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000488361463 534020920 /nfs/dbraw/zinc/02/09/20/534020920.db2.gz BGAOEDZTVFYDNH-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000488361463 534020929 /nfs/dbraw/zinc/02/09/29/534020929.db2.gz BGAOEDZTVFYDNH-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO CC(C)c1nc(N2CCC[C@H]2CF)cc[nH+]1 ZINC000336127705 534907738 /nfs/dbraw/zinc/90/77/38/534907738.db2.gz KIWPLBGZUDKMAA-JTQLQIEISA-N 1 2 223.295 2.538 20 0 BFADLO C/C=C(/C=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1)CC ZINC000493418843 527559185 /nfs/dbraw/zinc/55/91/85/527559185.db2.gz LKZJJXJYTSRYGO-LTCQKBRTSA-N 1 2 247.342 2.674 20 0 BFADLO CCCN(C(=O)/C=C/c1[nH+]ccn1CC)C(C)C ZINC000493517767 527720175 /nfs/dbraw/zinc/72/01/75/527720175.db2.gz NYTQQMUAFQZUGE-BQYQJAHWSA-N 1 2 249.358 2.563 20 0 BFADLO CC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493213336 527933553 /nfs/dbraw/zinc/93/35/53/527933553.db2.gz DJMUYKWABXHUML-WAYWQWQTSA-N 1 2 247.342 2.510 20 0 BFADLO CCC[C@H](CC)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492444990 528091917 /nfs/dbraw/zinc/09/19/17/528091917.db2.gz GNFPBLBWOVGLKK-BCPZQOPPSA-N 1 2 249.358 2.611 20 0 BFADLO CCC(CC)CN(CC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493787541 528737422 /nfs/dbraw/zinc/73/74/22/528737422.db2.gz LUJQMWOXNAZXGY-FPLPWBNLSA-N 1 2 249.358 2.708 20 0 BFADLO CC1(C)CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493498198 528905097 /nfs/dbraw/zinc/90/50/97/528905097.db2.gz YLNGNLUKUOJOEH-ONEGZZNKSA-N 1 2 247.342 2.508 20 0 BFADLO CCCC[C@H](CCC)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493863577 528920746 /nfs/dbraw/zinc/92/07/46/528920746.db2.gz ZPLFWGVISVSLMC-BCPZQOPPSA-N 1 2 249.358 2.898 20 0 BFADLO CCOc1ccc(C[NH2+][C@H](C)c2ccon2)cc1 ZINC000349245379 535727171 /nfs/dbraw/zinc/72/71/71/535727171.db2.gz PPTPHDZPHQCZRZ-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO CC[C@@H]([NH2+][C@H](CC)c1cccs1)C(=O)OC ZINC000168330279 535808828 /nfs/dbraw/zinc/80/88/28/535808828.db2.gz GGRQZLAMSPBVCL-NXEZZACHSA-N 1 2 241.356 2.740 20 0 BFADLO CCc1cnc(C[N@@H+]2CCSC[C@H]2C)s1 ZINC000335990471 536037381 /nfs/dbraw/zinc/03/73/81/536037381.db2.gz AQEDJOVVSFONBV-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CCc1cnc(C[N@H+]2CCSC[C@H]2C)s1 ZINC000335990471 536037383 /nfs/dbraw/zinc/03/73/83/536037383.db2.gz AQEDJOVVSFONBV-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CC[C@@]1(C)CN(c2cc[nH+]c(C(C)C)n2)CCO1 ZINC000302633819 536059918 /nfs/dbraw/zinc/05/99/18/536059918.db2.gz GYWZORCVVBSOJF-AWEZNQCLSA-N 1 2 249.358 2.605 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1ccc(C)s1 ZINC000336023161 536086688 /nfs/dbraw/zinc/08/66/88/536086688.db2.gz FWPBLJGAHAHCSX-UHFFFAOYSA-N 1 2 246.335 2.688 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000336176353 536138448 /nfs/dbraw/zinc/13/84/48/536138448.db2.gz GLJLTPYPZWBFIN-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)no1 ZINC000336176353 536138454 /nfs/dbraw/zinc/13/84/54/536138454.db2.gz GLJLTPYPZWBFIN-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H]2CC=CCC2)[nH+]1 ZINC000892604740 582926635 /nfs/dbraw/zinc/92/66/35/582926635.db2.gz HOEPOWCFYJKHCK-MNOVXSKESA-N 1 2 218.300 2.656 20 0 BFADLO COC1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301061865 536755635 /nfs/dbraw/zinc/75/56/35/536755635.db2.gz AWNVYSIFSXDVGI-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CCN(CCSC)c1cc[nH+]c2ccncc21 ZINC000591999248 566348319 /nfs/dbraw/zinc/34/83/19/566348319.db2.gz DAFQPUUQAIYIRT-UHFFFAOYSA-N 1 2 247.367 2.819 20 0 BFADLO C[C@H](Nc1ccc(F)cc1)c1[nH]cc[nH+]1 ZINC000335606638 566405380 /nfs/dbraw/zinc/40/53/80/566405380.db2.gz UMEGPUGSTDHRMW-QMMMGPOBSA-N 1 2 205.236 2.722 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2ccco2)c1 ZINC000404485242 566468749 /nfs/dbraw/zinc/46/87/49/566468749.db2.gz MVIHAASXXXUGEI-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1ccc(Nc2ccc([NH+](C)C)cc2C)nn1 ZINC000853163173 588723105 /nfs/dbraw/zinc/72/31/05/588723105.db2.gz OSZDIYLVDGWWBM-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO CCc1nn(C[N@@H+]2CCC[C@@H]2C)c(=S)s1 ZINC000853499012 588746442 /nfs/dbraw/zinc/74/64/42/588746442.db2.gz HBBRFCPPKBYMJZ-QMMMGPOBSA-N 1 2 243.401 2.678 20 0 BFADLO CCc1nn(C[N@H+]2CCC[C@@H]2C)c(=S)s1 ZINC000853499012 588746443 /nfs/dbraw/zinc/74/64/43/588746443.db2.gz HBBRFCPPKBYMJZ-QMMMGPOBSA-N 1 2 243.401 2.678 20 0 BFADLO C[N@H+](C[C@@H]1CC1(C)C)Cn1ncsc1=S ZINC000853627457 588750757 /nfs/dbraw/zinc/75/07/57/588750757.db2.gz VQUBDSUJBHDCIZ-QMMMGPOBSA-N 1 2 243.401 2.609 20 0 BFADLO C[N@@H+](C[C@@H]1CC1(C)C)Cn1ncsc1=S ZINC000853627457 588750758 /nfs/dbraw/zinc/75/07/58/588750758.db2.gz VQUBDSUJBHDCIZ-QMMMGPOBSA-N 1 2 243.401 2.609 20 0 BFADLO NC(Cc1cccnc1)=[NH+]OCCCC1CCC1 ZINC000853679448 588755513 /nfs/dbraw/zinc/75/55/13/588755513.db2.gz YMCCQHWMUSLXCX-UHFFFAOYSA-N 1 2 247.342 2.703 20 0 BFADLO Cc1cc(N[C@@H]2C=CCC2)nc(C2CC2)[nH+]1 ZINC000853801042 588764117 /nfs/dbraw/zinc/76/41/17/588764117.db2.gz LRKKVFUMSXGLGP-LLVKDONJSA-N 1 2 215.300 2.793 20 0 BFADLO CC(C)c1nc(N[C@@H]2COC3(CCC3)C2)cc[nH+]1 ZINC000853827276 588765293 /nfs/dbraw/zinc/76/52/93/588765293.db2.gz QSMSPTYOHQQTNA-NSHDSACASA-N 1 2 247.342 2.724 20 0 BFADLO CC(C)c1nc(N2CC3CC2(C)C3)cc[nH+]1 ZINC000853996900 588770924 /nfs/dbraw/zinc/77/09/24/588770924.db2.gz FWOUGSURQQDBNQ-UHFFFAOYSA-N 1 2 217.316 2.589 20 0 BFADLO Cc1ccc(NC(=O)C2(C3CC3)CC2)c(C)[nH+]1 ZINC000889464065 582661594 /nfs/dbraw/zinc/66/15/94/582661594.db2.gz AZGDUIOYUJMDHQ-UHFFFAOYSA-N 1 2 230.311 2.827 20 0 BFADLO COCCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891411120 582680792 /nfs/dbraw/zinc/68/07/92/582680792.db2.gz ZFJBCIAIUGATKK-UHFFFAOYSA-N 1 2 247.342 2.680 20 0 BFADLO COC[C@H](C)Nc1ccc(-c2ccncc2)c[nH+]1 ZINC000891438481 582685241 /nfs/dbraw/zinc/68/52/41/582685241.db2.gz MESAYMQLQAUHNZ-NSHDSACASA-N 1 2 243.310 2.590 20 0 BFADLO COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000891468330 582691193 /nfs/dbraw/zinc/69/11/93/582691193.db2.gz VESCCJIQTFOBCE-NSHDSACASA-N 1 2 246.310 2.667 20 0 BFADLO COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000891468330 582691194 /nfs/dbraw/zinc/69/11/94/582691194.db2.gz VESCCJIQTFOBCE-NSHDSACASA-N 1 2 246.310 2.667 20 0 BFADLO Cn1cc(C[N@H+](C)Cc2ccco2)c(C2CC2)n1 ZINC000891487383 582692004 /nfs/dbraw/zinc/69/20/04/582692004.db2.gz KOWDLYJEQCAKJM-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1cc(C[N@@H+](C)Cc2ccco2)c(C2CC2)n1 ZINC000891487383 582692006 /nfs/dbraw/zinc/69/20/06/582692006.db2.gz KOWDLYJEQCAKJM-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000891493861 582692800 /nfs/dbraw/zinc/69/28/00/582692800.db2.gz YOBULLOQFBYFCP-WDEREUQCSA-N 1 2 243.310 2.703 20 0 BFADLO CCC[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891668722 582707930 /nfs/dbraw/zinc/70/79/30/582707930.db2.gz SMLJDDIJKKHVEJ-NXEZZACHSA-N 1 2 208.305 2.735 20 0 BFADLO COC[C@H](C)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892024904 582764662 /nfs/dbraw/zinc/76/46/62/582764662.db2.gz IZGXIBYRQVGQNV-SNVBAGLBSA-N 1 2 249.358 2.747 20 0 BFADLO Cc1cc(NC(=O)[C@]23C[C@H]2CCCC3)c(C)c[nH+]1 ZINC000866859060 582764708 /nfs/dbraw/zinc/76/47/08/582764708.db2.gz IIXYCHOLMDROQL-IUODEOHRSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1cccn2c(NC(=O)[C@@H](F)C(C)C)c[nH+]c12 ZINC000855902228 588853278 /nfs/dbraw/zinc/85/32/78/588853278.db2.gz FNWUXFHGLSEUHL-NSHDSACASA-N 1 2 249.289 2.575 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CCC[C@H]2C)[nH+]1 ZINC000892342032 582861636 /nfs/dbraw/zinc/86/16/36/582861636.db2.gz IXHPBWRROWEVLA-VWYCJHECSA-N 1 2 220.316 2.735 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@H]2CC2(C)C)[nH+]1 ZINC000892505348 582900654 /nfs/dbraw/zinc/90/06/54/582900654.db2.gz UKJQRQSITDDXMC-ZJUUUORDSA-N 1 2 220.316 2.593 20 0 BFADLO CC(C)[N@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851738819 582965110 /nfs/dbraw/zinc/96/51/10/582965110.db2.gz UBOVTCNKMADCGJ-UHFFFAOYSA-N 1 2 249.289 2.619 20 0 BFADLO CC(C)[N@@H+](Cc1cnon1)Cc1ccc(F)cc1 ZINC000851738819 582965112 /nfs/dbraw/zinc/96/51/12/582965112.db2.gz UBOVTCNKMADCGJ-UHFFFAOYSA-N 1 2 249.289 2.619 20 0 BFADLO C/C(=C\C(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)(C)C ZINC000856278129 588866541 /nfs/dbraw/zinc/86/65/41/588866541.db2.gz XWMXCGQREZQSFR-USKTWTLRSA-N 1 2 249.358 2.590 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@H](F)C(C)C)cc2[nH+]1 ZINC000856287142 588867120 /nfs/dbraw/zinc/86/71/20/588867120.db2.gz NSLUKFTVYYBLJW-GFCCVEGCSA-N 1 2 249.289 2.575 20 0 BFADLO CC(C)C[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892951300 583017792 /nfs/dbraw/zinc/01/77/92/583017792.db2.gz MQOSQHRKCJCNSV-MNOVXSKESA-N 1 2 222.332 2.981 20 0 BFADLO Cc1cc(N[C@@]2(C)CCOC2)nc(C2CCC2)[nH+]1 ZINC000892985498 583025817 /nfs/dbraw/zinc/02/58/17/583025817.db2.gz MDHONGUGQLUJAV-AWEZNQCLSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cc(N[C@H](C)C[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893127177 583053714 /nfs/dbraw/zinc/05/37/14/583053714.db2.gz MIXRRWVVIYJRES-MWLCHTKSSA-N 1 2 249.358 2.624 20 0 BFADLO C[C@@H]1CN(c2nccn3c[nH+]cc23)CC(C)(C)C1 ZINC000893134475 583054947 /nfs/dbraw/zinc/05/49/47/583054947.db2.gz HNSRVPBKABIXJP-NSHDSACASA-N 1 2 244.342 2.602 20 0 BFADLO CC(C)(C)[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000893146874 583057064 /nfs/dbraw/zinc/05/70/64/583057064.db2.gz PRHDZIWORQIHNU-NSHDSACASA-N 1 2 244.342 2.602 20 0 BFADLO CCOc1ccc(CNc2ccc(C)[nH+]c2)o1 ZINC000893146446 583057847 /nfs/dbraw/zinc/05/78/47/583057847.db2.gz KUIVAMUCNWMRJP-UHFFFAOYSA-N 1 2 232.283 2.994 20 0 BFADLO COc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000893198355 583069077 /nfs/dbraw/zinc/06/90/77/583069077.db2.gz UKVZMHWKUPDOKQ-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO Cc1[nH+]cccc1NCc1nnc(C(C)C)s1 ZINC000893197669 583069391 /nfs/dbraw/zinc/06/93/91/583069391.db2.gz JESTZQLANQLRQA-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO Fc1cc(C[NH+]2CC(CC3CC3)C2)c(F)cn1 ZINC000857066821 583132153 /nfs/dbraw/zinc/13/21/53/583132153.db2.gz WXWGXWHZFWAUSK-UHFFFAOYSA-N 1 2 238.281 2.592 20 0 BFADLO COc1cccc2c[nH+]c(NC[C@@H](C)OC)cc21 ZINC000893396206 583135237 /nfs/dbraw/zinc/13/52/37/583135237.db2.gz DQXMGFHXKUFRFR-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO CCOCC[N@H+](C)Cc1cc(C)cnc1Cl ZINC000893427042 583141411 /nfs/dbraw/zinc/14/14/11/583141411.db2.gz IGVGMTJUBIUUNP-UHFFFAOYSA-N 1 2 242.750 2.512 20 0 BFADLO CCOCC[N@@H+](C)Cc1cc(C)cnc1Cl ZINC000893427042 583141413 /nfs/dbraw/zinc/14/14/13/583141413.db2.gz IGVGMTJUBIUUNP-UHFFFAOYSA-N 1 2 242.750 2.512 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)CC(C)(C)C ZINC000893514336 583155471 /nfs/dbraw/zinc/15/54/71/583155471.db2.gz BHDPIEHSXUUVIT-JTQLQIEISA-N 1 2 236.315 2.616 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000893524935 583157428 /nfs/dbraw/zinc/15/74/28/583157428.db2.gz VWMGHNIDOHZJLQ-JLLWLGSASA-N 1 2 248.326 2.616 20 0 BFADLO CC/C(C)=C\C(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893527752 583157896 /nfs/dbraw/zinc/15/78/96/583157896.db2.gz GLSRWAAZUJPSNY-GXMKHXEJSA-N 1 2 234.299 2.536 20 0 BFADLO Cc1cc(NCCC[C@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893560966 583164249 /nfs/dbraw/zinc/16/42/49/583164249.db2.gz CSLQVLKSJVFQOM-NSHDSACASA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc(NCCCCCO)nc(C2CCC2)[nH+]1 ZINC000893570771 583165277 /nfs/dbraw/zinc/16/52/77/583165277.db2.gz IOGZJRSIEOLXSC-UHFFFAOYSA-N 1 2 249.358 2.627 20 0 BFADLO C[C@H](O)c1cccc(NCCC2(C)CC2)[nH+]1 ZINC000893587442 583167804 /nfs/dbraw/zinc/16/78/04/583167804.db2.gz BFWVJTPMRWLLCM-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO Cc1cc(N2CCC[C@@H](F)C2)nc(C2CCC2)[nH+]1 ZINC000893677395 583196246 /nfs/dbraw/zinc/19/62/46/583196246.db2.gz STVPRYZBNMLGEV-GFCCVEGCSA-N 1 2 249.333 2.991 20 0 BFADLO CCCc1ccc(C[NH+]2CC(OC)C2)s1 ZINC000857048440 588883944 /nfs/dbraw/zinc/88/39/44/588883944.db2.gz ZVIRTESRQINJRB-UHFFFAOYSA-N 1 2 225.357 2.531 20 0 BFADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccsc1 ZINC000893710839 583209511 /nfs/dbraw/zinc/20/95/11/583209511.db2.gz KRNRLNLTOIRCBU-VIFPVBQESA-N 1 2 248.355 2.777 20 0 BFADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccsc1 ZINC000893710839 583209514 /nfs/dbraw/zinc/20/95/14/583209514.db2.gz KRNRLNLTOIRCBU-VIFPVBQESA-N 1 2 248.355 2.777 20 0 BFADLO Cc1cc(C[NH+]2CC(Cc3ccsc3)C2)no1 ZINC000857067986 588885724 /nfs/dbraw/zinc/88/57/24/588885724.db2.gz JWKPKBXETGWDEJ-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@H](C)c2ccco2)c1C ZINC000893930887 583250618 /nfs/dbraw/zinc/25/06/18/583250618.db2.gz HZUOCZYQOKLKSW-LLVKDONJSA-N 1 2 233.315 2.813 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@H](C)c2ccco2)c1C ZINC000893930887 583250620 /nfs/dbraw/zinc/25/06/20/583250620.db2.gz HZUOCZYQOKLKSW-LLVKDONJSA-N 1 2 233.315 2.813 20 0 BFADLO Cc1ccoc1CNc1cccc([C@H](C)O)[nH+]1 ZINC000893950813 583260759 /nfs/dbraw/zinc/26/07/59/583260759.db2.gz ITUJBPAWFZAWBU-JTQLQIEISA-N 1 2 232.283 2.648 20 0 BFADLO Cc1cc(N[C@@H](C)CF)nc(C2CCC2)[nH+]1 ZINC000893971645 583263457 /nfs/dbraw/zinc/26/34/57/583263457.db2.gz VYFCABQLFPPLHL-VIFPVBQESA-N 1 2 223.295 2.822 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C)CC2)c1C ZINC000893978457 583266183 /nfs/dbraw/zinc/26/61/83/583266183.db2.gz STNLCSOGAZAJRL-SNVBAGLBSA-N 1 2 221.348 2.649 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C)CC2)c1C ZINC000893978457 583266186 /nfs/dbraw/zinc/26/61/86/583266186.db2.gz STNLCSOGAZAJRL-SNVBAGLBSA-N 1 2 221.348 2.649 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000894027351 583280476 /nfs/dbraw/zinc/28/04/76/583280476.db2.gz QCBUIRNQMHPZFX-VHSXEESVSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000894027351 583280478 /nfs/dbraw/zinc/28/04/78/583280478.db2.gz QCBUIRNQMHPZFX-VHSXEESVSA-N 1 2 241.356 2.611 20 0 BFADLO CC1(C)CC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000857141167 588890335 /nfs/dbraw/zinc/89/03/35/588890335.db2.gz QNMXFLNARXZEKY-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894087225 583298015 /nfs/dbraw/zinc/29/80/15/583298015.db2.gz VSWFLFQWSZMMOP-ZDUSSCGKSA-N 1 2 221.348 2.649 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000894118670 583310284 /nfs/dbraw/zinc/31/02/84/583310284.db2.gz KGDQACKBZXLZBD-DLOVCJGASA-N 1 2 232.327 2.593 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000894118671 583310597 /nfs/dbraw/zinc/31/05/97/583310597.db2.gz KGDQACKBZXLZBD-USWWRNFRSA-N 1 2 232.327 2.593 20 0 BFADLO CO[C@H](C)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894123002 583312123 /nfs/dbraw/zinc/31/21/23/583312123.db2.gz AZFHBGMJJGMXRA-SNVBAGLBSA-N 1 2 231.299 2.729 20 0 BFADLO CO[C@H](C)c1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894123002 583312125 /nfs/dbraw/zinc/31/21/25/583312125.db2.gz AZFHBGMJJGMXRA-SNVBAGLBSA-N 1 2 231.299 2.729 20 0 BFADLO Cc1cc(C[NH+]2CCC(F)(F)CC2)cnc1F ZINC000894179312 583329389 /nfs/dbraw/zinc/32/93/89/583329389.db2.gz UODYYQPTSGXYOL-UHFFFAOYSA-N 1 2 244.260 2.760 20 0 BFADLO CC[C@H]1CN(Cc2c[nH+]c[nH]2)c2ccccc2O1 ZINC000894490165 583471696 /nfs/dbraw/zinc/47/16/96/583471696.db2.gz CULADSSFUIMUIU-LBPRGKRZSA-N 1 2 243.310 2.587 20 0 BFADLO CC[C@H]1CN(Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000894490165 583471697 /nfs/dbraw/zinc/47/16/97/583471697.db2.gz CULADSSFUIMUIU-LBPRGKRZSA-N 1 2 243.310 2.587 20 0 BFADLO Cc1ccc2c(c1)O[C@H](C)CN2Cc1c[nH+]c[nH]1 ZINC000894491542 583472911 /nfs/dbraw/zinc/47/29/11/583472911.db2.gz ONNZUOHUPNDXDE-LLVKDONJSA-N 1 2 243.310 2.506 20 0 BFADLO Cc1ccc2c(c1)O[C@H](C)CN2Cc1c[nH]c[nH+]1 ZINC000894491542 583472913 /nfs/dbraw/zinc/47/29/13/583472913.db2.gz ONNZUOHUPNDXDE-LLVKDONJSA-N 1 2 243.310 2.506 20 0 BFADLO CSCc1cccc(C[NH2+]Cc2c[nH]cn2)c1 ZINC000894535472 583480048 /nfs/dbraw/zinc/48/00/48/583480048.db2.gz UELASUFMJQUGRI-UHFFFAOYSA-N 1 2 247.367 2.563 20 0 BFADLO Cc1cc(N2CC[C@H]3C[C@H]3C2)nc(C2CCC2)[nH+]1 ZINC000894595492 583493269 /nfs/dbraw/zinc/49/32/69/583493269.db2.gz ZNZWDVDNAWRBAJ-STQMWFEESA-N 1 2 243.354 2.899 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000894627482 583495680 /nfs/dbraw/zinc/49/56/80/583495680.db2.gz HTYIHOMEAGZONK-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)co2)[C@H]1C ZINC000894627482 583495684 /nfs/dbraw/zinc/49/56/84/583495684.db2.gz HTYIHOMEAGZONK-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO COc1cc(NCc2c[nH+]c[nH]2)c(C)cc1C ZINC000894634922 583497962 /nfs/dbraw/zinc/49/79/62/583497962.db2.gz FYKWYUFVBGFWGB-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1cc(NCc2c[nH]c[nH+]2)c(C)cc1C ZINC000894634922 583497964 /nfs/dbraw/zinc/49/79/64/583497964.db2.gz FYKWYUFVBGFWGB-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO CC(=O)OC[C@H](C)Nc1ccc(C2CCC2)c[nH+]1 ZINC000894642042 583499505 /nfs/dbraw/zinc/49/95/05/583499505.db2.gz KLKGBDUKISDWOX-JTQLQIEISA-N 1 2 248.326 2.713 20 0 BFADLO Oc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000894670331 583503309 /nfs/dbraw/zinc/50/33/09/583503309.db2.gz FTNWCPQJTMHMKP-JTQLQIEISA-N 1 2 229.682 2.589 20 0 BFADLO Oc1cc(Cl)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000894670331 583503311 /nfs/dbraw/zinc/50/33/11/583503311.db2.gz FTNWCPQJTMHMKP-JTQLQIEISA-N 1 2 229.682 2.589 20 0 BFADLO CCOc1ccc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000894712226 583510754 /nfs/dbraw/zinc/51/07/54/583510754.db2.gz OXMDDBJPGTXQIV-UHFFFAOYSA-N 1 2 249.232 2.672 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)c2ccns2)[nH+]1 ZINC000894815126 583523976 /nfs/dbraw/zinc/52/39/76/583523976.db2.gz GNSJXCBNZJKTKJ-DTWKUNHWSA-N 1 2 249.339 2.765 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000894860482 583534244 /nfs/dbraw/zinc/53/42/44/583534244.db2.gz NUOUDUQWZWYBPV-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000894860482 583534246 /nfs/dbraw/zinc/53/42/46/583534246.db2.gz NUOUDUQWZWYBPV-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2F)[C@H]1C ZINC000894862248 583535323 /nfs/dbraw/zinc/53/53/23/583535323.db2.gz VPHKXEIAQNEYLC-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)[C@H]1C ZINC000894862248 583535324 /nfs/dbraw/zinc/53/53/24/583535324.db2.gz VPHKXEIAQNEYLC-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO CC(C)Oc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894888489 583547241 /nfs/dbraw/zinc/54/72/41/583547241.db2.gz HAPTUGUNVJOZAF-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO CC(C)Oc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000894888489 583547242 /nfs/dbraw/zinc/54/72/42/583547242.db2.gz HAPTUGUNVJOZAF-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC[C@@H]2F)[nH+]1 ZINC000894925521 583556874 /nfs/dbraw/zinc/55/68/74/583556874.db2.gz MOZQLOGBPHZMPA-JFGNBEQYSA-N 1 2 238.306 2.828 20 0 BFADLO CSc1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000894975457 583562361 /nfs/dbraw/zinc/56/23/61/583562361.db2.gz AFOIGGGOQYDTFY-UHFFFAOYSA-N 1 2 233.283 2.698 20 0 BFADLO c1coc(CSc2[nH+]cnc3[nH]ccc32)c1 ZINC000726964735 583573456 /nfs/dbraw/zinc/57/34/56/583573456.db2.gz AUNOYWLGKILRIF-UHFFFAOYSA-N 1 2 231.280 2.843 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@]2(C)CC2(C)C)[nH+]1 ZINC000895134078 583601553 /nfs/dbraw/zinc/60/15/53/583601553.db2.gz UNEWHTGOWVHOQC-YGRLFVJLSA-N 1 2 234.343 2.983 20 0 BFADLO CCc1cc(N2CCC(F)CC2)nc(CC)[nH+]1 ZINC000895136393 583602488 /nfs/dbraw/zinc/60/24/88/583602488.db2.gz UAUAWWALCQOTSU-UHFFFAOYSA-N 1 2 237.322 2.540 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1COCC1(C)C ZINC000895141282 583603359 /nfs/dbraw/zinc/60/33/59/583603359.db2.gz WXXGYUUXJFHMIC-JTQLQIEISA-N 1 2 238.356 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1COCC1(C)C ZINC000895141285 583603373 /nfs/dbraw/zinc/60/33/73/583603373.db2.gz WXXGYUUXJFHMIC-SNVBAGLBSA-N 1 2 238.356 2.640 20 0 BFADLO CCOc1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000895190798 583620027 /nfs/dbraw/zinc/62/00/27/583620027.db2.gz BBJMOUSWLKQCOA-JTQLQIEISA-N 1 2 227.279 2.612 20 0 BFADLO CCOc1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000895190798 583620029 /nfs/dbraw/zinc/62/00/29/583620029.db2.gz BBJMOUSWLKQCOA-JTQLQIEISA-N 1 2 227.279 2.612 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@@H+]1Cc2ccncc2C1 ZINC000857872582 588917140 /nfs/dbraw/zinc/91/71/40/588917140.db2.gz DHLJSQVFUAZDPK-SNVBAGLBSA-N 1 2 243.137 2.591 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@H+]1Cc2ccncc2C1 ZINC000857872582 588917141 /nfs/dbraw/zinc/91/71/41/588917141.db2.gz DHLJSQVFUAZDPK-SNVBAGLBSA-N 1 2 243.137 2.591 20 0 BFADLO Oc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000895191801 583621879 /nfs/dbraw/zinc/62/18/79/583621879.db2.gz SIGZLRLYHRWDGP-LLVKDONJSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000895191801 583621880 /nfs/dbraw/zinc/62/18/80/583621880.db2.gz SIGZLRLYHRWDGP-LLVKDONJSA-N 1 2 243.709 2.980 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3ccncc3C2)c(C)n1 ZINC000857879681 588919711 /nfs/dbraw/zinc/91/97/11/588919711.db2.gz NCHFRCRTLXKIOI-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3ccncc3C2)c(C)n1 ZINC000857879681 588919712 /nfs/dbraw/zinc/91/97/12/588919712.db2.gz NCHFRCRTLXKIOI-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO c1ccc([C@]23C[C@H]2CN(c2cccc[nH+]2)C3)cc1 ZINC000895398131 583665431 /nfs/dbraw/zinc/66/54/31/583665431.db2.gz NODXCOVJWCQNDB-GOEBONIOSA-N 1 2 236.318 2.860 20 0 BFADLO CCc1cc(Cl)cnc1NCc1c[nH+]c[nH]1 ZINC000895407269 583666420 /nfs/dbraw/zinc/66/64/20/583666420.db2.gz PTLIESJHIXFRCH-UHFFFAOYSA-N 1 2 236.706 2.633 20 0 BFADLO CCc1cc(Cl)cnc1NCc1c[nH]c[nH+]1 ZINC000895407269 583666421 /nfs/dbraw/zinc/66/64/21/583666421.db2.gz PTLIESJHIXFRCH-UHFFFAOYSA-N 1 2 236.706 2.633 20 0 BFADLO CCCOc1ccc(NCc2c[nH+]c[nH]2)cc1F ZINC000895411124 583666681 /nfs/dbraw/zinc/66/66/81/583666681.db2.gz LKYPVLFCFPBWIG-UHFFFAOYSA-N 1 2 249.289 2.950 20 0 BFADLO CCCOc1ccc(NCc2c[nH]c[nH+]2)cc1F ZINC000895411124 583666682 /nfs/dbraw/zinc/66/66/82/583666682.db2.gz LKYPVLFCFPBWIG-UHFFFAOYSA-N 1 2 249.289 2.950 20 0 BFADLO C[C@H](O)c1cccc(NCC[C@@H]2CC[C@H]3C[C@H]32)[nH+]1 ZINC000895425391 583668179 /nfs/dbraw/zinc/66/81/79/583668179.db2.gz HJBSSGJPLCMJHM-CYDGBPFRSA-N 1 2 246.354 2.983 20 0 BFADLO Cc1cn(C(C)(C)C(=O)Nc2ccccc2)c[nH+]1 ZINC000895440021 583675216 /nfs/dbraw/zinc/67/52/16/583675216.db2.gz LRGUAVPRKCAEIB-UHFFFAOYSA-N 1 2 243.310 2.565 20 0 BFADLO FC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000895571969 583692450 /nfs/dbraw/zinc/69/24/50/583692450.db2.gz CZXYQHZPZCXPTG-MRVPVSSYSA-N 1 2 246.688 2.666 20 0 BFADLO FC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000895571969 583692453 /nfs/dbraw/zinc/69/24/53/583692453.db2.gz CZXYQHZPZCXPTG-MRVPVSSYSA-N 1 2 246.688 2.666 20 0 BFADLO CC(C)(C)OC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000895663870 583702826 /nfs/dbraw/zinc/70/28/26/583702826.db2.gz TWOZVSVBUSDJTO-LBPRGKRZSA-N 1 2 234.343 2.866 20 0 BFADLO Clc1ccc2c(n1)[C@@H]([NH2+]Cc1cocn1)CC2 ZINC000857909494 588923452 /nfs/dbraw/zinc/92/34/52/588923452.db2.gz SCNLZTPSPBWVEC-JTQLQIEISA-N 1 2 249.701 2.500 20 0 BFADLO COc1cccc(C)c1C[NH+]1CC(OC(C)C)C1 ZINC000895954609 583752096 /nfs/dbraw/zinc/75/20/96/583752096.db2.gz BZVWPOUETQANLS-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO CCC[C@](C)(CC)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857980398 588927261 /nfs/dbraw/zinc/92/72/61/588927261.db2.gz XTIINGAKVWPRPN-FZMZJTMJSA-N 1 2 249.358 2.661 20 0 BFADLO C[C@H]1CCC[C@H](c2noc(C3([NH+](C)C)CC3)n2)C1 ZINC000896048021 583765534 /nfs/dbraw/zinc/76/55/34/583765534.db2.gz FFIXKFGPNHSOKS-QWRGUYRKSA-N 1 2 249.358 2.914 20 0 BFADLO CCC[C@@H](C)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896055605 583767013 /nfs/dbraw/zinc/76/70/13/583767013.db2.gz BRBAMFWHQDPJKD-SECBINFHSA-N 1 2 223.320 2.524 20 0 BFADLO CCC[C@H](C)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896055606 583767066 /nfs/dbraw/zinc/76/70/66/583767066.db2.gz BRBAMFWHQDPJKD-VIFPVBQESA-N 1 2 223.320 2.524 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857984506 588928698 /nfs/dbraw/zinc/92/86/98/588928698.db2.gz JDOPNSDSZOUEDR-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO CCc1cc(N[C@@H]2CCS[C@H](C)C2)nc[nH+]1 ZINC000896248192 583785782 /nfs/dbraw/zinc/78/57/82/583785782.db2.gz XBCVZHZKTRGZAN-MWLCHTKSSA-N 1 2 237.372 2.735 20 0 BFADLO FC1(C2CC2)CCN(c2cccc[nH+]2)CC1 ZINC000896241171 583785958 /nfs/dbraw/zinc/78/59/58/583785958.db2.gz QKXUTOYWLGOPTB-UHFFFAOYSA-N 1 2 220.291 2.800 20 0 BFADLO CCCC[C@H](CC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857988791 588929525 /nfs/dbraw/zinc/92/95/25/588929525.db2.gz MGIOQQUGGCLDBB-NWDGAFQWSA-N 1 2 249.358 2.661 20 0 BFADLO CCCCCC(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995960 588930117 /nfs/dbraw/zinc/93/01/17/588930117.db2.gz JFBDIRIAIORMPC-UHFFFAOYSA-N 1 2 247.342 2.729 20 0 BFADLO Cc1nc(N[C@@H]2CCCc3cccnc32)cc[nH+]1 ZINC000896413212 583801469 /nfs/dbraw/zinc/80/14/69/583801469.db2.gz LSWVISCJDHOLGG-GFCCVEGCSA-N 1 2 240.310 2.670 20 0 BFADLO CC/C(C)=C\C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000819 588930568 /nfs/dbraw/zinc/93/05/68/588930568.db2.gz MFPIIJSLEWXNCM-NTMALXAHSA-N 1 2 245.326 2.505 20 0 BFADLO c1cc(NC[C@]23C[C@H]2CCC3)nc(C2CC2)[nH+]1 ZINC000896548327 583809963 /nfs/dbraw/zinc/80/99/63/583809963.db2.gz UIJZLGPLODPIAB-RISCZKNCSA-N 1 2 229.327 2.956 20 0 BFADLO CCc1onc(C)c1CNc1cc[nH+]c(CC)n1 ZINC000896666749 583822112 /nfs/dbraw/zinc/82/21/12/583822112.db2.gz SGAALVWSJNAGSU-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO C[C@]12CN(c3cccc[nH+]3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000896902473 583850543 /nfs/dbraw/zinc/85/05/43/583850543.db2.gz XTNPYFLXUUEDBE-SFDCQRBFSA-N 1 2 226.323 2.730 20 0 BFADLO Cc1[nH]c(CNC(=O)C2CCCCCC2)[nH+]c1C ZINC000896921445 583857109 /nfs/dbraw/zinc/85/71/09/583857109.db2.gz NEDSKIRXTKNDGW-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO C[C@H]([NH2+]Cc1ccnc(F)c1)c1cscn1 ZINC000858188217 588938309 /nfs/dbraw/zinc/93/83/09/588938309.db2.gz BKDOHNLNCCJCIV-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CO[C@H]1CC[C@H]1N(C)c1[nH+]ccc2ccccc21 ZINC000897142845 583884063 /nfs/dbraw/zinc/88/40/63/583884063.db2.gz TZSXTNIBEOXSFI-KGLIPLIRSA-N 1 2 242.322 2.848 20 0 BFADLO Cc1nc(NCc2nc(C(C)(C)C)co2)cc[nH+]1 ZINC000897172910 583889310 /nfs/dbraw/zinc/88/93/10/583889310.db2.gz ANWZOQFXLBUROZ-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CCc1cc(N[C@@H]2C[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000897177849 583890540 /nfs/dbraw/zinc/89/05/40/583890540.db2.gz WCWDDQJDPCPZRB-YUSALJHKSA-N 1 2 217.316 2.640 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3C[C@@H]4CCC[C@@H]34)c2cn1 ZINC000897181159 583891906 /nfs/dbraw/zinc/89/19/06/583891906.db2.gz YAUXGXDAHQTNDX-FIXISWKDSA-N 1 2 239.322 2.652 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3C[C@H]4CCC[C@@H]43)c2cn1 ZINC000897181160 583891946 /nfs/dbraw/zinc/89/19/46/583891946.db2.gz YAUXGXDAHQTNDX-JRPNMDOOSA-N 1 2 239.322 2.652 20 0 BFADLO c1cc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000897182276 583892080 /nfs/dbraw/zinc/89/20/80/583892080.db2.gz YTYUMQMINQMAHJ-GRYCIOLGSA-N 1 2 229.327 2.955 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCCC(C)(C)O2)c1C ZINC000897255011 583904380 /nfs/dbraw/zinc/90/43/80/583904380.db2.gz WFFKEYVYTUDLQO-GFCCVEGCSA-N 1 2 249.358 2.853 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(Cl)nc1 ZINC000858258487 588941245 /nfs/dbraw/zinc/94/12/45/588941245.db2.gz BHDACLRLOOAEBI-UHFFFAOYSA-N 1 2 234.677 2.870 20 0 BFADLO CCC/C=C\C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000729350482 583993939 /nfs/dbraw/zinc/99/39/39/583993939.db2.gz DJLATWKROQHUJO-HXUAIIEXSA-N 1 2 247.342 2.820 20 0 BFADLO Cc1cc(C[NH2+]C2(c3nc(C)no3)CC2)cs1 ZINC000897896171 584058181 /nfs/dbraw/zinc/05/81/81/584058181.db2.gz QCGUAGDMEJYXBD-UHFFFAOYSA-N 1 2 249.339 2.527 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cn(C)cn2)c(Cl)c1 ZINC000898043724 584081203 /nfs/dbraw/zinc/08/12/03/584081203.db2.gz ZCKDDWVOPBAZBO-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO CC(C)(C)c1coc(C[NH2+]C/C=C/Cl)n1 ZINC000898424277 584131984 /nfs/dbraw/zinc/13/19/84/584131984.db2.gz DGDKIGQRCMLAQF-SNAWJCMRSA-N 1 2 228.723 2.814 20 0 BFADLO C[C@H]1C[C@@H]1c1csc(Cn2cc[nH+]c2)n1 ZINC000899242297 584185470 /nfs/dbraw/zinc/18/54/70/584185470.db2.gz TYUYILFHLACKLG-IUCAKERBSA-N 1 2 219.313 2.511 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001627 584373615 /nfs/dbraw/zinc/37/36/15/584373615.db2.gz ZNVNKXUTFHFFFV-CLFYSBASSA-N 1 2 249.358 2.635 20 0 BFADLO CC(=CC(C)(C)C)C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000901001627 584373618 /nfs/dbraw/zinc/37/36/18/584373618.db2.gz ZNVNKXUTFHFFFV-CLFYSBASSA-N 1 2 249.358 2.635 20 0 BFADLO C[C@@H]1CCC[C@@H](OC(=O)/C=C/c2cn(C)c[nH+]2)C1 ZINC000901235410 584404649 /nfs/dbraw/zinc/40/46/49/584404649.db2.gz VWFYSGWCCXECAJ-BKVNPXPRSA-N 1 2 248.326 2.555 20 0 BFADLO Cc1cc(N)nc(SCC2CC(C)C2)[nH+]1 ZINC000901414916 584441192 /nfs/dbraw/zinc/44/11/92/584441192.db2.gz DBIBNVGDWQCLAR-UHFFFAOYSA-N 1 2 223.345 2.505 20 0 BFADLO COC1CC(C[NH2+]c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000901446896 584447303 /nfs/dbraw/zinc/44/73/03/584447303.db2.gz LJGNDIWIDFIUKC-IFQILLTASA-N 1 2 247.338 2.847 20 0 BFADLO Cc1cc(=O)[nH]c(C=Cc2[nH]cc(C(C)C)[nH+]2)n1 ZINC000901503242 584455016 /nfs/dbraw/zinc/45/50/16/584455016.db2.gz BEJRKYSQMGSPGJ-PLNGDYQASA-N 1 2 244.298 2.508 20 0 BFADLO Cn1c[nH+]c(/C=C\c2nc3c(s2)CCC3)c1 ZINC000901552093 584465086 /nfs/dbraw/zinc/46/50/86/584465086.db2.gz RIEZJXHKLZOUSL-WAYWQWQTSA-N 1 2 231.324 2.536 20 0 BFADLO Cc1[nH]c2ccc(CSC3COC3)cc2[nH+]1 ZINC000901634515 584472966 /nfs/dbraw/zinc/47/29/66/584472966.db2.gz MZGVWNTUZDTMOD-UHFFFAOYSA-N 1 2 234.324 2.503 20 0 BFADLO Cc1[nH]c2cc(CSC3COC3)ccc2[nH+]1 ZINC000901634515 584472969 /nfs/dbraw/zinc/47/29/69/584472969.db2.gz MZGVWNTUZDTMOD-UHFFFAOYSA-N 1 2 234.324 2.503 20 0 BFADLO c1ccc2[nH+]c(CCCSC3COC3)[nH]c2c1 ZINC000901635939 584473306 /nfs/dbraw/zinc/47/33/06/584473306.db2.gz WQMKNJHILDHPSX-UHFFFAOYSA-N 1 2 248.351 2.628 20 0 BFADLO Cc1ccc(CSCc2c[nH+]cn2C)o1 ZINC000901686991 584481250 /nfs/dbraw/zinc/48/12/50/584481250.db2.gz ZZDHTTKURWFZEK-UHFFFAOYSA-N 1 2 222.313 2.755 20 0 BFADLO CC(C)c1cc(NCc2[nH+]ccn2C2CC2)no1 ZINC000902050041 584517134 /nfs/dbraw/zinc/51/71/34/584517134.db2.gz PWBMNHQSKQFEFW-UHFFFAOYSA-N 1 2 246.314 2.942 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2C)c1 ZINC000902076971 584520117 /nfs/dbraw/zinc/52/01/17/584520117.db2.gz PDGFHKXNZVUGGH-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO Cc1nc(NCc2cnc(C3CC3)s2)cc[nH+]1 ZINC000902125636 584529037 /nfs/dbraw/zinc/52/90/37/584529037.db2.gz UDZSEKQCSWHQHD-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO c1cc(OCC[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000902353761 584569647 /nfs/dbraw/zinc/56/96/47/584569647.db2.gz BTQOFRMRMXJABD-YPMHNXCESA-N 1 2 203.285 2.897 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2COC)c1 ZINC000902360179 584571230 /nfs/dbraw/zinc/57/12/30/584571230.db2.gz GKWBOJANQLTOFV-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO C=C/C=C/CCSCCn1cc[nH+]c1 ZINC000902449552 584606358 /nfs/dbraw/zinc/60/63/58/584606358.db2.gz BQKYQOZSXQTARS-ONEGZZNKSA-N 1 2 208.330 2.749 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859089727 588999778 /nfs/dbraw/zinc/99/97/78/588999778.db2.gz JTYXXOFTFUNVOO-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccnc(F)c1 ZINC000859089727 588999779 /nfs/dbraw/zinc/99/97/79/588999779.db2.gz JTYXXOFTFUNVOO-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CNc1ccccc1C[NH2+]C(C)(C)C(F)F ZINC000902532195 584633284 /nfs/dbraw/zinc/63/32/84/584633284.db2.gz HELNNZGPNKONCR-UHFFFAOYSA-N 1 2 228.286 2.862 20 0 BFADLO COC[C@@H](CSCCn1cc[nH+]c1)C(C)C ZINC000902605009 584642435 /nfs/dbraw/zinc/64/24/35/584642435.db2.gz RDYWSRQHZXTTCZ-LBPRGKRZSA-N 1 2 242.388 2.535 20 0 BFADLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1cncs1 ZINC000902689644 584656301 /nfs/dbraw/zinc/65/63/01/584656301.db2.gz MKWBRNMBWSNFKO-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO COCCOc1cc(C)[nH+]c2ccc(C)cc21 ZINC000902692990 584656725 /nfs/dbraw/zinc/65/67/25/584656725.db2.gz KALBAVJNDGEVRW-UHFFFAOYSA-N 1 2 231.295 2.877 20 0 BFADLO CCc1onc(C)c1COc1cc[nH+]cc1 ZINC000902734620 584662458 /nfs/dbraw/zinc/66/24/58/584662458.db2.gz WNBYXWDZSHBFHR-UHFFFAOYSA-N 1 2 218.256 2.519 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@@H](F)C2)nc1 ZINC000902991912 584710009 /nfs/dbraw/zinc/71/00/09/584710009.db2.gz FFYYOJXLTYHPGE-GFCCVEGCSA-N 1 2 222.307 2.578 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@@H](F)C2)nc1 ZINC000902991912 584710011 /nfs/dbraw/zinc/71/00/11/584710011.db2.gz FFYYOJXLTYHPGE-GFCCVEGCSA-N 1 2 222.307 2.578 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902991759 584710064 /nfs/dbraw/zinc/71/00/64/584710064.db2.gz AMYANVWVHUCEHL-MWLCHTKSSA-N 1 2 226.270 2.716 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902991759 584710065 /nfs/dbraw/zinc/71/00/65/584710065.db2.gz AMYANVWVHUCEHL-MWLCHTKSSA-N 1 2 226.270 2.716 20 0 BFADLO Cc1ccc(N[C@H]2CCOC23CCCC3)c[nH+]1 ZINC000903139759 584730593 /nfs/dbraw/zinc/73/05/93/584730593.db2.gz SMGOSRAARIBBRJ-ZDUSSCGKSA-N 1 2 232.327 2.904 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000903139518 584730699 /nfs/dbraw/zinc/73/06/99/584730699.db2.gz MFYNKKZTYAULLJ-GHMZBOCLSA-N 1 2 238.356 2.783 20 0 BFADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]C/C=C\Cl ZINC000903445875 584769971 /nfs/dbraw/zinc/76/99/71/584769971.db2.gz WOPHQQUFHURUKE-OOJSTFJISA-N 1 2 241.693 2.800 20 0 BFADLO C[C@@]1(C(=O)Nc2cccc3[nH+]ccn32)C=CCC1 ZINC000903620046 584787346 /nfs/dbraw/zinc/78/73/46/584787346.db2.gz AJRDSDQBACMNCT-CQSZACIVSA-N 1 2 241.294 2.629 20 0 BFADLO CCC[C@@]1(C)CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896576 584819992 /nfs/dbraw/zinc/81/99/92/584819992.db2.gz VLEPSUPMDKPJOM-AAEUAGOBSA-N 1 2 248.361 2.871 20 0 BFADLO CCC[C@@]1(C)CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903896576 584819993 /nfs/dbraw/zinc/81/99/93/584819993.db2.gz VLEPSUPMDKPJOM-AAEUAGOBSA-N 1 2 248.361 2.871 20 0 BFADLO CC/C=C(/C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904272303 584858664 /nfs/dbraw/zinc/85/86/64/584858664.db2.gz OFYYSJRFAAARFM-YVMONPNESA-N 1 2 244.298 2.836 20 0 BFADLO CC(C)(C)c1cnc(C[N@@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761093374 584909779 /nfs/dbraw/zinc/90/97/79/584909779.db2.gz NOKQELQWDRLXJR-VHSXEESVSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1cnc(C[N@H+]2CC[C@H]3C[C@H]32)o1 ZINC000761093374 584909780 /nfs/dbraw/zinc/90/97/80/584909780.db2.gz NOKQELQWDRLXJR-VHSXEESVSA-N 1 2 220.316 2.566 20 0 BFADLO O=C(O[C@@H]1C=CCCC1)c1ccc2[nH+]ccn2c1 ZINC000733494283 584950030 /nfs/dbraw/zinc/95/00/30/584950030.db2.gz PWPJFDAHNCLLMI-GFCCVEGCSA-N 1 2 242.278 2.600 20 0 BFADLO C[C@H]1C[NH+]=C(NC(=O)CC2(C)CCCC2)S1 ZINC000819777084 585006909 /nfs/dbraw/zinc/00/69/09/585006909.db2.gz HOUDBHXTYWAQEG-VIFPVBQESA-N 1 2 240.372 2.564 20 0 BFADLO CC[N@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736621051 585008002 /nfs/dbraw/zinc/00/80/02/585008002.db2.gz GASIBRCGFGEFKA-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO CC[N@@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736621051 585008003 /nfs/dbraw/zinc/00/80/03/585008003.db2.gz GASIBRCGFGEFKA-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO FC(F)C(F)(F)C[NH+]1C2CCC1CC2 ZINC000736621454 585008018 /nfs/dbraw/zinc/00/80/18/585008018.db2.gz NRTPLKUUVOUZBD-UHFFFAOYSA-N 1 2 211.202 2.514 20 0 BFADLO C[N@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736620219 585008046 /nfs/dbraw/zinc/00/80/46/585008046.db2.gz GBOFGUQVHRUXDW-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO C[N@@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736620219 585008047 /nfs/dbraw/zinc/00/80/47/585008047.db2.gz GBOFGUQVHRUXDW-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO CSCC[C@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736620190 585008071 /nfs/dbraw/zinc/00/80/71/585008071.db2.gz ADNVIWLQEAYBRW-ZETCQYMHSA-N 1 2 247.301 2.960 20 0 BFADLO CSCC[C@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736620190 585008072 /nfs/dbraw/zinc/00/80/72/585008072.db2.gz ADNVIWLQEAYBRW-ZETCQYMHSA-N 1 2 247.301 2.960 20 0 BFADLO CC(C)(C(=O)OCc1cc[nH+]c(N)c1)C1CCC1 ZINC000838157743 585046786 /nfs/dbraw/zinc/04/67/86/585046786.db2.gz PISVFPFJSONMCM-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO Fc1cnccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000838903747 585077240 /nfs/dbraw/zinc/07/72/40/585077240.db2.gz DPILHKCBIIEAKM-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cnccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000838903747 585077241 /nfs/dbraw/zinc/07/72/41/585077241.db2.gz DPILHKCBIIEAKM-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO Cc1ccc(C[N@H+]2CC=CCC2)c(Cl)n1 ZINC000838923864 585078639 /nfs/dbraw/zinc/07/86/39/585078639.db2.gz XMZFLGXFZKIYDS-UHFFFAOYSA-N 1 2 222.719 2.805 20 0 BFADLO Cc1ccc(C[N@@H+]2CC=CCC2)c(Cl)n1 ZINC000838923864 585078640 /nfs/dbraw/zinc/07/86/40/585078640.db2.gz XMZFLGXFZKIYDS-UHFFFAOYSA-N 1 2 222.719 2.805 20 0 BFADLO COC1(c2ccccc2)C[NH+](Cc2ccoc2)C1 ZINC000839100304 585090891 /nfs/dbraw/zinc/09/08/91/585090891.db2.gz UNWIULLKMTXRGJ-UHFFFAOYSA-N 1 2 243.306 2.637 20 0 BFADLO Fc1cc(C[NH+]2CC3(C2)CCCC3)c(F)cn1 ZINC000839106624 585091206 /nfs/dbraw/zinc/09/12/06/585091206.db2.gz JZQJBKJGYCBEQA-UHFFFAOYSA-N 1 2 238.281 2.736 20 0 BFADLO Clc1ccc2c(c1)CN(Cc1c[nH+]c[nH]1)C2 ZINC000839194076 585097766 /nfs/dbraw/zinc/09/77/66/585097766.db2.gz DMICDIMYDVAGSQ-UHFFFAOYSA-N 1 2 233.702 2.579 20 0 BFADLO Clc1ccc2c(c1)CN(Cc1c[nH]c[nH+]1)C2 ZINC000839194076 585097767 /nfs/dbraw/zinc/09/77/67/585097767.db2.gz DMICDIMYDVAGSQ-UHFFFAOYSA-N 1 2 233.702 2.579 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000741774286 585118159 /nfs/dbraw/zinc/11/81/59/585118159.db2.gz DBRLDAJFUFBZCB-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000741774286 585118160 /nfs/dbraw/zinc/11/81/60/585118160.db2.gz DBRLDAJFUFBZCB-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO Cc1cc(NCCOC2CCC2)nc(C2CC2)[nH+]1 ZINC000742424012 585126055 /nfs/dbraw/zinc/12/60/55/585126055.db2.gz VZRRJDQUXTULQD-UHFFFAOYSA-N 1 2 247.342 2.643 20 0 BFADLO CC[N@H+](CC1(C)COC1)c1ccc(C)cc1 ZINC000744391716 585150004 /nfs/dbraw/zinc/15/00/04/585150004.db2.gz HADMMMYDISUKOP-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](CC1(C)COC1)c1ccc(C)cc1 ZINC000744391716 585150005 /nfs/dbraw/zinc/15/00/05/585150005.db2.gz HADMMMYDISUKOP-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1CCCCO1 ZINC000746502048 585169275 /nfs/dbraw/zinc/16/92/75/585169275.db2.gz BVHUNUWPGGTXTN-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@H+](C/C(Cl)=C\Cl)C[C@@H]1CCCCO1 ZINC000746502048 585169276 /nfs/dbraw/zinc/16/92/76/585169276.db2.gz BVHUNUWPGGTXTN-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO FCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000746501553 585169302 /nfs/dbraw/zinc/16/93/02/585169302.db2.gz DEJDWCJRBLJAOV-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO FCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000746501553 585169303 /nfs/dbraw/zinc/16/93/03/585169303.db2.gz DEJDWCJRBLJAOV-UHFFFAOYSA-N 1 2 229.245 2.899 20 0 BFADLO Cc1cc(NC(=O)C=C2CC[C@@H](C)C2)c(C)c[nH+]1 ZINC000747111199 585174993 /nfs/dbraw/zinc/17/49/93/585174993.db2.gz GOOQMHVPXCXCOC-GARZTLJTSA-N 1 2 244.338 2.805 20 0 BFADLO CCCC(C)=CC(=O)Nc1cc(C)[nH+]cc1C ZINC000747112733 585175037 /nfs/dbraw/zinc/17/50/37/585175037.db2.gz QURLAIOJBCVTJR-JXMROGBWSA-N 1 2 232.327 2.805 20 0 BFADLO CC(C)CCCCCC(=O)NCc1c[nH+]c[nH]1 ZINC000748321528 585190503 /nfs/dbraw/zinc/19/05/03/585190503.db2.gz FDDOGZVMDWUEJL-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO CC(C)CCCCCC(=O)NCc1c[nH]c[nH+]1 ZINC000748321528 585190504 /nfs/dbraw/zinc/19/05/04/585190504.db2.gz FDDOGZVMDWUEJL-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1ccc(OC(=O)CCCn2cc[nH+]c2)cc1 ZINC000748599260 585194383 /nfs/dbraw/zinc/19/43/83/585194383.db2.gz VABULWLWUYAQMY-UHFFFAOYSA-N 1 2 244.294 2.577 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)C(C)C)c(N(C)C)[nH+]1 ZINC000749995333 585209359 /nfs/dbraw/zinc/20/93/59/585209359.db2.gz BRJVMDRCTHCBSQ-LLVKDONJSA-N 1 2 249.358 2.687 20 0 BFADLO C/C=C(\C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000751352963 585227339 /nfs/dbraw/zinc/22/73/39/585227339.db2.gz YNJIBNCGFPLKRM-QDEBKDIKSA-N 1 2 241.294 2.777 20 0 BFADLO CC(C)=C(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000751367241 585227871 /nfs/dbraw/zinc/22/78/71/585227871.db2.gz JUGLCAFRHKAOQS-UHFFFAOYSA-N 1 2 243.310 2.938 20 0 BFADLO C/C=C(\C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000751367497 585227877 /nfs/dbraw/zinc/22/78/77/585227877.db2.gz NTFQSWTXCRZMBP-RUDMXATFSA-N 1 2 229.283 2.547 20 0 BFADLO CCC(=O)CC[N@H+](C)Cc1csc(CC)n1 ZINC000753705214 585266821 /nfs/dbraw/zinc/26/68/21/585266821.db2.gz OCFHZNUEOQBUSG-UHFFFAOYSA-N 1 2 240.372 2.507 20 0 BFADLO CCC(=O)CC[N@@H+](C)Cc1csc(CC)n1 ZINC000753705214 585266822 /nfs/dbraw/zinc/26/68/22/585266822.db2.gz OCFHZNUEOQBUSG-UHFFFAOYSA-N 1 2 240.372 2.507 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000754131034 585279044 /nfs/dbraw/zinc/27/90/44/585279044.db2.gz UBQDBBNUHRMNQF-JMSVASOKSA-N 1 2 247.338 2.922 20 0 BFADLO CC[C@@H](C)NC(=S)Nc1ccc(C)[nH+]c1C ZINC000755731246 585304966 /nfs/dbraw/zinc/30/49/66/585304966.db2.gz HBHUKRHGWNOXFK-MRVPVSSYSA-N 1 2 237.372 2.783 20 0 BFADLO CC[C@H](C)COC(=O)c1ccc(C)[nH+]c1NC ZINC000756374698 585318545 /nfs/dbraw/zinc/31/85/45/585318545.db2.gz OBCUFJKVSZBERF-VIFPVBQESA-N 1 2 236.315 2.635 20 0 BFADLO CC(C)=CC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839585968 585332036 /nfs/dbraw/zinc/33/20/36/585332036.db2.gz JURCJHPJQLWPHV-UHFFFAOYSA-N 1 2 241.766 2.780 20 0 BFADLO CC(C)=CC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839585968 585332037 /nfs/dbraw/zinc/33/20/37/585332037.db2.gz JURCJHPJQLWPHV-UHFFFAOYSA-N 1 2 241.766 2.780 20 0 BFADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ncc(Cl)n1C ZINC000839661482 585334019 /nfs/dbraw/zinc/33/40/19/585334019.db2.gz WKRBAGANEFUOQB-VIFPVBQESA-N 1 2 241.766 2.694 20 0 BFADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1ncc(Cl)n1C ZINC000839661482 585334020 /nfs/dbraw/zinc/33/40/20/585334020.db2.gz WKRBAGANEFUOQB-VIFPVBQESA-N 1 2 241.766 2.694 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000758745485 585359517 /nfs/dbraw/zinc/35/95/17/585359517.db2.gz CYMVFWALJBVDSI-GFCCVEGCSA-N 1 2 241.766 2.696 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000758745485 585359518 /nfs/dbraw/zinc/35/95/18/585359518.db2.gz CYMVFWALJBVDSI-GFCCVEGCSA-N 1 2 241.766 2.696 20 0 BFADLO Cc1sc(/C=C\c2[nH]cc[nH+]2)cc1C=O ZINC000760265391 585388026 /nfs/dbraw/zinc/38/80/26/585388026.db2.gz NPNWYLXYYTUZEB-IHWYPQMZSA-N 1 2 218.281 2.763 20 0 BFADLO FC(F)(F)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000761046278 585404147 /nfs/dbraw/zinc/40/41/47/585404147.db2.gz SJSIIRJKQVHTLB-ZETCQYMHSA-N 1 2 236.262 2.527 20 0 BFADLO FC(F)(F)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000761046278 585404148 /nfs/dbraw/zinc/40/41/48/585404148.db2.gz SJSIIRJKQVHTLB-ZETCQYMHSA-N 1 2 236.262 2.527 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761099327 585409124 /nfs/dbraw/zinc/40/91/24/585409124.db2.gz WNTJVTOQOKTLGT-NEPJUHHUSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761099327 585409125 /nfs/dbraw/zinc/40/91/25/585409125.db2.gz WNTJVTOQOKTLGT-NEPJUHHUSA-N 1 2 247.342 2.712 20 0 BFADLO C[C@H]1C[N@H+](Cc2cocn2)Cc2ccccc21 ZINC000762949340 585439968 /nfs/dbraw/zinc/43/99/68/585439968.db2.gz ATZNXVBYPQVUEH-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cocn2)Cc2ccccc21 ZINC000762949340 585439969 /nfs/dbraw/zinc/43/99/69/585439969.db2.gz ATZNXVBYPQVUEH-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO COc1ccc([NH2+]CC2(C)CCC2)cc1CO ZINC000766212265 585498883 /nfs/dbraw/zinc/49/88/83/585498883.db2.gz GTSUKYODGPPDHA-UHFFFAOYSA-N 1 2 235.327 2.790 20 0 BFADLO COc1cc(C)c([NH2+]CCC(C)(C)O)cc1C ZINC000766797587 585508359 /nfs/dbraw/zinc/50/83/59/585508359.db2.gz UMRIUJSCODQDAW-UHFFFAOYSA-N 1 2 237.343 2.885 20 0 BFADLO CCc1ccc([N@H+](CC)C[C@H](C)CO)cc1 ZINC000766917381 585511412 /nfs/dbraw/zinc/51/14/12/585511412.db2.gz XFGRADWKYZGLGF-LBPRGKRZSA-N 1 2 221.344 2.704 20 0 BFADLO CCc1ccc([N@@H+](CC)C[C@H](C)CO)cc1 ZINC000766917381 585511413 /nfs/dbraw/zinc/51/14/13/585511413.db2.gz XFGRADWKYZGLGF-LBPRGKRZSA-N 1 2 221.344 2.704 20 0 BFADLO CC(C)(C(=O)NCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000767000646 585512520 /nfs/dbraw/zinc/51/25/20/585512520.db2.gz FXKCEEJDMDFKBZ-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CC(C)(C(=O)NCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000767000646 585512521 /nfs/dbraw/zinc/51/25/21/585512521.db2.gz FXKCEEJDMDFKBZ-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CN(C)c1cc(CSCc2ccon2)cc[nH+]1 ZINC000767867749 585527107 /nfs/dbraw/zinc/52/71/07/585527107.db2.gz SXDIMKNYQGUPTO-UHFFFAOYSA-N 1 2 249.339 2.569 20 0 BFADLO CCCCC[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000767894759 585527771 /nfs/dbraw/zinc/52/77/71/585527771.db2.gz OYDATQHLLBLCAT-LLVKDONJSA-N 1 2 249.358 2.902 20 0 BFADLO CC[N@H+](Cc1c(Cl)nc(Cl)n1C)C1CC1 ZINC000768301362 585535522 /nfs/dbraw/zinc/53/55/22/585535522.db2.gz JYFDGPKIPXKUFP-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO CC[N@@H+](Cc1c(Cl)nc(Cl)n1C)C1CC1 ZINC000768301362 585535523 /nfs/dbraw/zinc/53/55/23/585535523.db2.gz JYFDGPKIPXKUFP-UHFFFAOYSA-N 1 2 248.157 2.711 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)COC(C)(C)C ZINC000768932239 585546041 /nfs/dbraw/zinc/54/60/41/585546041.db2.gz MPFAYIQIESRCQW-SREVYHEPSA-N 1 2 228.336 2.656 20 0 BFADLO c1cc(CNc2ccc(N3CCCC3)c[nH+]2)co1 ZINC000769377828 585555008 /nfs/dbraw/zinc/55/50/08/585555008.db2.gz LYYQYLGQECARSY-UHFFFAOYSA-N 1 2 243.310 2.887 20 0 BFADLO CCC(CC)C(=O)OCc1c[nH+]ccc1OC ZINC000805403188 585572149 /nfs/dbraw/zinc/57/21/49/585572149.db2.gz UHZQMIZKDDBOMS-UHFFFAOYSA-N 1 2 237.299 2.570 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000770346244 585573023 /nfs/dbraw/zinc/57/30/23/585573023.db2.gz DVBAOVZAHSFGCB-LSDHHAIUSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000770346244 585573024 /nfs/dbraw/zinc/57/30/24/585573024.db2.gz DVBAOVZAHSFGCB-LSDHHAIUSA-N 1 2 241.338 2.706 20 0 BFADLO Cc1ccc(C(=O)OCc2ccc(C)[nH+]c2C)o1 ZINC000771870039 585602921 /nfs/dbraw/zinc/60/29/21/585602921.db2.gz BWQIUVXUXONLKP-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO CC[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000771914616 585604350 /nfs/dbraw/zinc/60/43/50/585604350.db2.gz OYQCGNFBMBABES-VIFPVBQESA-N 1 2 221.300 2.788 20 0 BFADLO CCCC[C@H](CC)C(=O)OCCn1cc[nH+]c1 ZINC000771919830 585604443 /nfs/dbraw/zinc/60/44/43/585604443.db2.gz VWAADELFAMFACJ-LBPRGKRZSA-N 1 2 238.331 2.643 20 0 BFADLO Cc1ccc(COC(=O)C=C2CCC2)c(C)[nH+]1 ZINC000772188589 585609741 /nfs/dbraw/zinc/60/97/41/585609741.db2.gz RDGWOTHRRNEZPQ-UHFFFAOYSA-N 1 2 231.295 2.852 20 0 BFADLO Cc1ccc(COC(=O)[C@@H]2CC2(C)C)c(C)[nH+]1 ZINC000772210742 585609970 /nfs/dbraw/zinc/60/99/70/585609970.db2.gz GQCPLOXJFOUWJO-LBPRGKRZSA-N 1 2 233.311 2.788 20 0 BFADLO Cc1ccc(COC(=O)[C@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000772238739 585610793 /nfs/dbraw/zinc/61/07/93/585610793.db2.gz VSANRGUSTAUZQI-WDNDVIMCSA-N 1 2 245.322 2.788 20 0 BFADLO CC(C)C1(O)C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC000773890965 585645930 /nfs/dbraw/zinc/64/59/30/585645930.db2.gz LSNYUFZGAKGHBV-NSHDSACASA-N 1 2 237.318 2.589 20 0 BFADLO CON(Cc1c[nH+]c[nH]1)C[C@@H]1CCC[C@@H](C)C1 ZINC000810137573 585649459 /nfs/dbraw/zinc/64/94/59/585649459.db2.gz UNLSDPFMUZVNTC-VXGBXAGGSA-N 1 2 237.347 2.599 20 0 BFADLO CON(Cc1c[nH]c[nH+]1)C[C@@H]1CCC[C@@H](C)C1 ZINC000810137573 585649460 /nfs/dbraw/zinc/64/94/60/585649460.db2.gz UNLSDPFMUZVNTC-VXGBXAGGSA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@@](C)([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000775386377 585677046 /nfs/dbraw/zinc/67/70/46/585677046.db2.gz DAPLPDAEYNMORQ-CQSZACIVSA-N 1 2 245.326 2.793 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642977 585717742 /nfs/dbraw/zinc/71/77/42/585717742.db2.gz HCGIWPVZOCQDOF-NWDGAFQWSA-N 1 2 236.359 2.896 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C)[C@H](F)C2)cc[nH+]1 ZINC000778000121 585725121 /nfs/dbraw/zinc/72/51/21/585725121.db2.gz MONZFMPDGOSYDO-WDEREUQCSA-N 1 2 237.322 2.784 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@@H]1F ZINC000778237443 585728719 /nfs/dbraw/zinc/72/87/19/585728719.db2.gz POFINYJCUZEIDE-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1F ZINC000778237443 585728720 /nfs/dbraw/zinc/72/87/20/585728720.db2.gz POFINYJCUZEIDE-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@H]1F ZINC000778237444 585728792 /nfs/dbraw/zinc/72/87/92/585728792.db2.gz POFINYJCUZEIDE-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@H]1F ZINC000778237444 585728793 /nfs/dbraw/zinc/72/87/93/585728793.db2.gz POFINYJCUZEIDE-MWLCHTKSSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1F ZINC000779149654 585745724 /nfs/dbraw/zinc/74/57/24/585745724.db2.gz NVPTYULHRIOONS-QWRGUYRKSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]1F ZINC000779149654 585745725 /nfs/dbraw/zinc/74/57/25/585745725.db2.gz NVPTYULHRIOONS-QWRGUYRKSA-N 1 2 247.317 2.743 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1ccon1)c1ccc(F)cn1 ZINC000779401949 585753222 /nfs/dbraw/zinc/75/32/22/585753222.db2.gz GBYWDUXRHRMAID-CYBMUJFWSA-N 1 2 249.289 2.696 20 0 BFADLO C[C@H]1C[N@H+](Cc2nccn2C)Cc2ccccc21 ZINC000779461259 585755689 /nfs/dbraw/zinc/75/56/89/585755689.db2.gz XYWZCJFYIHKDMM-LBPRGKRZSA-N 1 2 241.338 2.539 20 0 BFADLO C[C@H]1C[N@@H+](Cc2nccn2C)Cc2ccccc21 ZINC000779461259 585755690 /nfs/dbraw/zinc/75/56/90/585755690.db2.gz XYWZCJFYIHKDMM-LBPRGKRZSA-N 1 2 241.338 2.539 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC=CO2)cc[nH+]1 ZINC000780621595 585782495 /nfs/dbraw/zinc/78/24/95/585782495.db2.gz GYCCCOWBDGOWHD-LLVKDONJSA-N 1 2 233.315 2.705 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000780739883 585784196 /nfs/dbraw/zinc/78/41/96/585784196.db2.gz MONKEMWEVLFPPI-CHWSQXEVSA-N 1 2 248.370 2.980 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000780739883 585784197 /nfs/dbraw/zinc/78/41/97/585784197.db2.gz MONKEMWEVLFPPI-CHWSQXEVSA-N 1 2 248.370 2.980 20 0 BFADLO CC1(C(=O)NC2=[NH+]CCS2)CCCCCC1 ZINC000781123630 585790760 /nfs/dbraw/zinc/79/07/60/585790760.db2.gz YTMSJEFZQLNKQQ-UHFFFAOYSA-N 1 2 240.372 2.566 20 0 BFADLO CCC[C@@H](C)CC(=O)OCCCn1cc[nH+]c1 ZINC000783321629 585833521 /nfs/dbraw/zinc/83/35/21/585833521.db2.gz HOTGLILMZNWCNX-GFCCVEGCSA-N 1 2 238.331 2.643 20 0 BFADLO CCC(CC)CC(=O)OCCCn1cc[nH+]c1 ZINC000784118101 585849918 /nfs/dbraw/zinc/84/99/18/585849918.db2.gz PVAOACPBLWNWJL-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO CCC(=CC(=O)OCCCn1cc[nH+]c1)CC ZINC000784117996 585849928 /nfs/dbraw/zinc/84/99/28/585849928.db2.gz PDBNMDXFVXMPNM-UHFFFAOYSA-N 1 2 236.315 2.563 20 0 BFADLO CCC(C)(CC)C(=O)OCCCn1cc[nH+]c1 ZINC000784755503 585865894 /nfs/dbraw/zinc/86/58/94/585865894.db2.gz JEYITSUKWNYOMT-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO NC(Cc1ccccc1Cl)=[NH+]OC1CCC1 ZINC000787912297 585917148 /nfs/dbraw/zinc/91/71/48/585917148.db2.gz ZOYCULFTAHXYQJ-UHFFFAOYSA-N 1 2 238.718 2.933 20 0 BFADLO COc1ccc(-c2cn3c([nH+]2)CCC3)c(OC)c1 ZINC000788866104 585931352 /nfs/dbraw/zinc/93/13/52/585931352.db2.gz CTHABUXHCQBPMZ-UHFFFAOYSA-N 1 2 244.294 2.514 20 0 BFADLO C/C=C(/CC)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000789239492 585937828 /nfs/dbraw/zinc/93/78/28/585937828.db2.gz UGPRNRKEQOYKGI-XGICHPGQSA-N 1 2 248.326 2.547 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000789742895 585949187 /nfs/dbraw/zinc/94/91/87/585949187.db2.gz CWKUQKJGUAUTDX-UKVQZPPCSA-N 1 2 247.338 2.631 20 0 BFADLO CCC[C@@H](C)CC(=O)OCc1cc[nH+]c(N)c1 ZINC000791807724 585988409 /nfs/dbraw/zinc/98/84/09/585988409.db2.gz BBLGUISESAKOOX-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO C[C@@H]1CC[C@H](CC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792025312 585993987 /nfs/dbraw/zinc/99/39/87/585993987.db2.gz SLULYQMDJSQYCJ-MNOVXSKESA-N 1 2 248.326 2.533 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792151408 585996377 /nfs/dbraw/zinc/99/63/77/585996377.db2.gz QWXDYBPTZDSSHQ-NTMALXAHSA-N 1 2 248.326 2.699 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(Cl)nc(Cl)n1C ZINC000793220112 586014556 /nfs/dbraw/zinc/01/45/56/586014556.db2.gz JYMMGEOQWVQKAW-RNFRBKRXSA-N 1 2 248.157 2.710 20 0 BFADLO C/C=C/C(=O)N1CCCC[C@H]1c1[nH+]ccn1CC ZINC000797775622 586131097 /nfs/dbraw/zinc/13/10/97/586131097.db2.gz GZZBYGASDYPETB-QBODLPLBSA-N 1 2 247.342 2.533 20 0 BFADLO FC(F)O[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000801990928 586285528 /nfs/dbraw/zinc/28/55/28/586285528.db2.gz DNTLKZVDAUXYJV-NFNQMPKISA-N 1 2 246.084 2.619 20 0 BFADLO FC(F)O[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000801990928 586285530 /nfs/dbraw/zinc/28/55/30/586285530.db2.gz DNTLKZVDAUXYJV-NFNQMPKISA-N 1 2 246.084 2.619 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)s1 ZINC000802654511 586309524 /nfs/dbraw/zinc/30/95/24/586309524.db2.gz XMSJRDJGVURZAZ-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)s1 ZINC000802654511 586309527 /nfs/dbraw/zinc/30/95/27/586309527.db2.gz XMSJRDJGVURZAZ-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO CC[C@@H](C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000803877980 586378972 /nfs/dbraw/zinc/37/89/72/586378972.db2.gz PRHVCCIABKUXQI-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO Cc1nn(C)c(Cl)c1C[NH+](C1CC1)C1CC1 ZINC000859623339 589049750 /nfs/dbraw/zinc/04/97/50/589049750.db2.gz WPPAAHINVJLKRJ-UHFFFAOYSA-N 1 2 239.750 2.509 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)CCO)cc1 ZINC000806156597 586405719 /nfs/dbraw/zinc/40/57/19/586405719.db2.gz GHEKOZBWBVPOEQ-DOMZBBRYSA-N 1 2 248.370 2.716 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)CCO)cc1 ZINC000806156600 586406084 /nfs/dbraw/zinc/40/60/84/586406084.db2.gz GHEKOZBWBVPOEQ-WFASDCNBSA-N 1 2 248.370 2.716 20 0 BFADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)cc1CO ZINC000806156704 586406223 /nfs/dbraw/zinc/40/62/23/586406223.db2.gz IMEGZWFGGAJABA-UONOGXRCSA-N 1 2 247.338 2.788 20 0 BFADLO CCCCC[C@@H](C)Cc1nc(C[NH2+]CC)no1 ZINC000843144453 586425053 /nfs/dbraw/zinc/42/50/53/586425053.db2.gz CMMAKPBSBAKUIO-LLVKDONJSA-N 1 2 239.363 2.938 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2[C@H](C=C(C)C)C2(C)C)n1 ZINC000843145327 586445093 /nfs/dbraw/zinc/44/50/93/586445093.db2.gz JBFNHLZPAFDAHE-JQWIXIFHSA-N 1 2 249.358 2.885 20 0 BFADLO CC[NH2+]Cc1noc([C@@H](SCC)C(C)C)n1 ZINC000843145314 586445133 /nfs/dbraw/zinc/44/51/33/586445133.db2.gz IYNPOKGCRIISKK-JTQLQIEISA-N 1 2 243.376 2.629 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2[C@@H](C=C(C)C)C2(C)C)n1 ZINC000843145333 586445285 /nfs/dbraw/zinc/44/52/85/586445285.db2.gz JBFNHLZPAFDAHE-ZYHUDNBSSA-N 1 2 249.358 2.885 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2[C@@H](C=C(C)C)C2(C)C)n1 ZINC000843145329 586445339 /nfs/dbraw/zinc/44/53/39/586445339.db2.gz JBFNHLZPAFDAHE-PWSUYJOCSA-N 1 2 249.358 2.885 20 0 BFADLO c1[nH+]c(SCOC2CCC2)n2ccccc12 ZINC000808015639 586459283 /nfs/dbraw/zinc/45/92/83/586459283.db2.gz VAERHGWHYROBPU-UHFFFAOYSA-N 1 2 234.324 2.953 20 0 BFADLO CO[C@H](C)c1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000808399394 586470789 /nfs/dbraw/zinc/47/07/89/586470789.db2.gz QVJJZQJEZVFIAT-LLVKDONJSA-N 1 2 245.326 2.740 20 0 BFADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714150 586514211 /nfs/dbraw/zinc/51/42/11/586514211.db2.gz AAQSBOYAYBYZFI-FZMZJTMJSA-N 1 2 235.327 2.658 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(OCCCO)cc1 ZINC000809714282 586514323 /nfs/dbraw/zinc/51/43/23/586514323.db2.gz DEWSRPSGHHEJIT-RYUDHWBXSA-N 1 2 235.327 2.516 20 0 BFADLO Cc1nonc1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000809743985 586516772 /nfs/dbraw/zinc/51/67/72/586516772.db2.gz PLHBTBLUQACKLW-UHFFFAOYSA-N 1 2 245.326 2.593 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OCCCO)cc2)[C@@H]1C ZINC000814169309 586615047 /nfs/dbraw/zinc/61/50/47/586615047.db2.gz DTZUMPIPJNEFNA-LALPHHSUSA-N 1 2 249.354 2.904 20 0 BFADLO Cc1ccc(NC(=S)NC2CCC2)c(C)[nH+]1 ZINC000814200653 586617259 /nfs/dbraw/zinc/61/72/59/586617259.db2.gz ZZKGYORUJMCEQT-UHFFFAOYSA-N 1 2 235.356 2.537 20 0 BFADLO c1cc(OCc2ccc3c(c2)COC3)cc[nH+]1 ZINC000814265742 586620983 /nfs/dbraw/zinc/62/09/83/586620983.db2.gz QBIHIKFBCGXWBO-UHFFFAOYSA-N 1 2 227.263 2.691 20 0 BFADLO Clc1cccc(COc2cc[nH+]cc2)n1 ZINC000814266193 586621049 /nfs/dbraw/zinc/62/10/49/586621049.db2.gz XZAWZZQZPPFYST-UHFFFAOYSA-N 1 2 220.659 2.709 20 0 BFADLO Cc1ccc(COC(=O)c2cc(F)c[nH]2)c(C)[nH+]1 ZINC000815393667 586682673 /nfs/dbraw/zinc/68/26/73/586682673.db2.gz GFSQANUDQNYQSV-UHFFFAOYSA-N 1 2 248.257 2.523 20 0 BFADLO C/C=C(/CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000816480723 586735686 /nfs/dbraw/zinc/73/56/86/586735686.db2.gz UWGOHCMIPBITCM-KMKOMSMNSA-N 1 2 229.283 2.629 20 0 BFADLO CC(C)C1C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000816594742 586742765 /nfs/dbraw/zinc/74/27/65/586742765.db2.gz NYUGEJDQLZYNLJ-UHFFFAOYSA-N 1 2 241.281 2.758 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000816648217 586750050 /nfs/dbraw/zinc/75/00/50/586750050.db2.gz GXOSMGXIQPYJQX-JGVFFNPUSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(F)ccc(O)c1F ZINC000816648217 586750051 /nfs/dbraw/zinc/75/00/51/586750051.db2.gz GXOSMGXIQPYJQX-JGVFFNPUSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cscn1 ZINC000859832775 589064106 /nfs/dbraw/zinc/06/41/06/589064106.db2.gz JDEXPLNFEBNNMC-QMMMGPOBSA-N 1 2 232.299 2.763 20 0 BFADLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cscn1 ZINC000859832775 589064108 /nfs/dbraw/zinc/06/41/08/589064108.db2.gz JDEXPLNFEBNNMC-QMMMGPOBSA-N 1 2 232.299 2.763 20 0 BFADLO c1ccc(N[C@@H]2CCc3cccnc3CC2)[nH+]c1 ZINC000817580878 586812684 /nfs/dbraw/zinc/81/26/84/586812684.db2.gz NWXNFZKROOZBLI-CYBMUJFWSA-N 1 2 239.322 2.836 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccns2)o1 ZINC000860058599 589077886 /nfs/dbraw/zinc/07/78/86/589077886.db2.gz NLWCCDTXPDYZAC-DTWKUNHWSA-N 1 2 237.328 2.851 20 0 BFADLO CCCCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819767811 586991930 /nfs/dbraw/zinc/99/19/30/586991930.db2.gz HDMCRWAIDYSULI-SECBINFHSA-N 1 2 228.361 2.564 20 0 BFADLO CCC[C@@H](C(=O)NC1=[NH+]C[C@H](C)S1)C(C)C ZINC000819776448 586992210 /nfs/dbraw/zinc/99/22/10/586992210.db2.gz MBJKKQSQFWNURI-VHSXEESVSA-N 1 2 242.388 2.666 20 0 BFADLO CCC[C@@H](C(=O)NC1=[NH+]C[C@@H](C)S1)C(C)C ZINC000819776443 586992262 /nfs/dbraw/zinc/99/22/62/586992262.db2.gz MBJKKQSQFWNURI-NXEZZACHSA-N 1 2 242.388 2.666 20 0 BFADLO C[C@H]1C[NH+]=C(NC(=O)C2(C)CCCCC2)S1 ZINC000819784273 586994730 /nfs/dbraw/zinc/99/47/30/586994730.db2.gz YFYXIVLSJNJZMR-VIFPVBQESA-N 1 2 240.372 2.564 20 0 BFADLO Cc1cnc(NCCCCNc2cccc[nH+]2)o1 ZINC000820651051 587062266 /nfs/dbraw/zinc/06/22/66/587062266.db2.gz ARMIWOILECAMTB-UHFFFAOYSA-N 1 2 246.314 2.682 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000860184586 589087868 /nfs/dbraw/zinc/08/78/68/589087868.db2.gz HIGJZNBEEOSVIW-KXMPLOMGSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000860184586 589087869 /nfs/dbraw/zinc/08/78/69/589087869.db2.gz HIGJZNBEEOSVIW-KXMPLOMGSA-N 1 2 237.372 2.716 20 0 BFADLO Fc1ccc2c(c1)OCC[N@@H+](C/C=C\Cl)C2 ZINC000860170353 589085396 /nfs/dbraw/zinc/08/53/96/589085396.db2.gz SKHVJHZRIHTLEC-RJRFIUFISA-N 1 2 241.693 2.773 20 0 BFADLO Fc1ccc2c(c1)OCC[N@H+](C/C=C\Cl)C2 ZINC000860170353 589085398 /nfs/dbraw/zinc/08/53/98/589085398.db2.gz SKHVJHZRIHTLEC-RJRFIUFISA-N 1 2 241.693 2.773 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2C=CCC2)c(C)[nH+]1 ZINC000821826595 587140684 /nfs/dbraw/zinc/14/06/84/587140684.db2.gz UZYGNORTKOXGOG-NSHDSACASA-N 1 2 231.299 2.539 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@]2(C)C=CCC2)c[nH+]1 ZINC000822017645 587149622 /nfs/dbraw/zinc/14/96/22/587149622.db2.gz QAADTJWHSITLJC-OAHLLOKOSA-N 1 2 244.338 2.671 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)C1CC=CC1 ZINC000822315532 587161694 /nfs/dbraw/zinc/16/16/94/587161694.db2.gz LQSSXDHSHWMVFX-UHFFFAOYSA-N 1 2 248.326 2.717 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)/C=C/C1CC1 ZINC000822315936 587161975 /nfs/dbraw/zinc/16/19/75/587161975.db2.gz WPACAJNTWROTCC-VOTSOKGWSA-N 1 2 248.326 2.717 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)c1ccco1 ZINC000822325232 587162259 /nfs/dbraw/zinc/16/22/59/587162259.db2.gz ADUYLUHIBQYVJB-UHFFFAOYSA-N 1 2 248.282 2.657 20 0 BFADLO CC(C)(C)SCC[N@@H+]1Cc2cccnc2C1 ZINC000822997189 587197305 /nfs/dbraw/zinc/19/73/05/587197305.db2.gz VDKNEPDOLKOQDD-UHFFFAOYSA-N 1 2 236.384 2.929 20 0 BFADLO CC(C)(C)SCC[N@H+]1Cc2cccnc2C1 ZINC000822997189 587197307 /nfs/dbraw/zinc/19/73/07/587197307.db2.gz VDKNEPDOLKOQDD-UHFFFAOYSA-N 1 2 236.384 2.929 20 0 BFADLO Cc1cc(CNC(=O)[C@]2(C)C=CCC2)cc(C)[nH+]1 ZINC000823058078 587200107 /nfs/dbraw/zinc/20/01/07/587200107.db2.gz XYJDAAFUHMJZPE-OAHLLOKOSA-N 1 2 244.338 2.671 20 0 BFADLO CC/C(C)=C\C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836451 587241932 /nfs/dbraw/zinc/24/19/32/587241932.db2.gz LSSZLDBKLKJHNG-HJWRWDBZSA-N 1 2 218.300 2.993 20 0 BFADLO Fc1cc(C[NH+]2CCC(F)(F)CC2)c(F)cn1 ZINC000824320776 587265946 /nfs/dbraw/zinc/26/59/46/587265946.db2.gz KDUULFVDCDBKDW-UHFFFAOYSA-N 1 2 248.223 2.591 20 0 BFADLO FCC(CF)[NH2+]Cc1ccccc1C1CC1 ZINC000824554471 587275973 /nfs/dbraw/zinc/27/59/73/587275973.db2.gz HMFODRGBCGDUKX-UHFFFAOYSA-N 1 2 225.282 2.961 20 0 BFADLO OCCOc1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000825018645 587299043 /nfs/dbraw/zinc/29/90/43/587299043.db2.gz ANXFDRONMLFXCI-BYCMXARLSA-N 1 2 247.338 2.658 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(F)c(C)c2)co1 ZINC000825051140 587300754 /nfs/dbraw/zinc/30/07/54/587300754.db2.gz WNMQGEVBVLWZHC-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnns2)Cc2ccccc21 ZINC000827361299 587378145 /nfs/dbraw/zinc/37/81/45/587378145.db2.gz UUQHQHNYYKRNPM-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnns2)Cc2ccccc21 ZINC000827361299 587378146 /nfs/dbraw/zinc/37/81/46/587378146.db2.gz UUQHQHNYYKRNPM-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO c1nn[nH]c1C[NH+]1CCC(C2CCCCC2)CC1 ZINC000827426554 587380861 /nfs/dbraw/zinc/38/08/61/587380861.db2.gz UXNBLIANWBJAII-UHFFFAOYSA-N 1 2 248.374 2.597 20 0 BFADLO c1[nH]nnc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC000827426554 587380862 /nfs/dbraw/zinc/38/08/62/587380862.db2.gz UXNBLIANWBJAII-UHFFFAOYSA-N 1 2 248.374 2.597 20 0 BFADLO c1n[nH]nc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC000827426554 587380863 /nfs/dbraw/zinc/38/08/63/587380863.db2.gz UXNBLIANWBJAII-UHFFFAOYSA-N 1 2 248.374 2.597 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1F ZINC000827506028 587384284 /nfs/dbraw/zinc/38/42/84/587384284.db2.gz BIYQDHCDMREFGU-IUCAKERBSA-N 1 2 239.265 2.512 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1F ZINC000827506028 587384285 /nfs/dbraw/zinc/38/42/85/587384285.db2.gz BIYQDHCDMREFGU-IUCAKERBSA-N 1 2 239.265 2.512 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@@](C)(C(F)F)O1 ZINC000827962721 587413290 /nfs/dbraw/zinc/41/32/90/587413290.db2.gz RDSYVWHHEPMPNS-SKDRFNHKSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@](C)(C(F)F)O1 ZINC000827962721 587413291 /nfs/dbraw/zinc/41/32/91/587413291.db2.gz RDSYVWHHEPMPNS-SKDRFNHKSA-N 1 2 245.269 2.524 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)C(C)C)s1 ZINC000828047767 587417878 /nfs/dbraw/zinc/41/78/78/587417878.db2.gz XWCVVPNJFVWUQY-UHFFFAOYSA-N 1 2 213.350 2.502 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)C(C)C)s1 ZINC000828047767 587417879 /nfs/dbraw/zinc/41/78/79/587417879.db2.gz XWCVVPNJFVWUQY-UHFFFAOYSA-N 1 2 213.350 2.502 20 0 BFADLO CC(C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)=C1CCC1 ZINC000828316317 587434175 /nfs/dbraw/zinc/43/41/75/587434175.db2.gz GXWXHCAIOTYHHV-GFCCVEGCSA-N 1 2 245.326 2.574 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCC2(C)C)s1 ZINC000828334249 587436236 /nfs/dbraw/zinc/43/62/36/587436236.db2.gz QFSXDXMFODLISP-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCC2(C)C)s1 ZINC000828334249 587436238 /nfs/dbraw/zinc/43/62/38/587436238.db2.gz QFSXDXMFODLISP-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO Cc1cc(NC[C@]2(C)CC2(Cl)Cl)nc[nH+]1 ZINC000828798635 587462893 /nfs/dbraw/zinc/46/28/93/587462893.db2.gz OLRDOAXFMUPWAT-VIFPVBQESA-N 1 2 246.141 2.781 20 0 BFADLO CC(C)O[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000828837854 587465784 /nfs/dbraw/zinc/46/57/84/587465784.db2.gz NSCRDFZKDBNMJD-NAZIUFLLSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)O[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000828837854 587465786 /nfs/dbraw/zinc/46/57/86/587465786.db2.gz NSCRDFZKDBNMJD-NAZIUFLLSA-N 1 2 238.158 2.805 20 0 BFADLO CC(=O)CC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000828993385 587478135 /nfs/dbraw/zinc/47/81/35/587478135.db2.gz DNAVCJNFWAATTO-UHFFFAOYSA-N 1 2 243.759 2.739 20 0 BFADLO CC(=O)CC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000828993385 587478136 /nfs/dbraw/zinc/47/81/36/587478136.db2.gz DNAVCJNFWAATTO-UHFFFAOYSA-N 1 2 243.759 2.739 20 0 BFADLO Clc1cc2c(nn1)C[N@@H+]([C@@H]1C=CCCC1)CC2 ZINC000829143710 587484724 /nfs/dbraw/zinc/48/47/24/587484724.db2.gz YLSBZCQTLIJAIF-LLVKDONJSA-N 1 2 249.745 2.597 20 0 BFADLO Clc1cc2c(nn1)C[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000829143710 587484726 /nfs/dbraw/zinc/48/47/26/587484726.db2.gz YLSBZCQTLIJAIF-LLVKDONJSA-N 1 2 249.745 2.597 20 0 BFADLO C[N@H+](CC(F)(F)C(F)F)C(C)(C)C ZINC000830545826 587557196 /nfs/dbraw/zinc/55/71/96/587557196.db2.gz OYSYFGBYZVSNSV-UHFFFAOYSA-N 1 2 201.207 2.617 20 0 BFADLO C[N@@H+](CC(F)(F)C(F)F)C(C)(C)C ZINC000830545826 587557197 /nfs/dbraw/zinc/55/71/97/587557197.db2.gz OYSYFGBYZVSNSV-UHFFFAOYSA-N 1 2 201.207 2.617 20 0 BFADLO FCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832230677 587651595 /nfs/dbraw/zinc/65/15/95/587651595.db2.gz DYLDUJRCBPDXFW-NSHDSACASA-N 1 2 209.264 2.776 20 0 BFADLO FCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832230677 587651596 /nfs/dbraw/zinc/65/15/96/587651596.db2.gz DYLDUJRCBPDXFW-NSHDSACASA-N 1 2 209.264 2.776 20 0 BFADLO CC(C)CC(C)(C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833284698 587704474 /nfs/dbraw/zinc/70/44/74/587704474.db2.gz KBPHRSIXMNWQBL-NSHDSACASA-N 1 2 249.358 2.516 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(C)o2)co1 ZINC000834899690 587770000 /nfs/dbraw/zinc/77/00/00/587770000.db2.gz JLADMKOORHYKEM-JTQLQIEISA-N 1 2 234.299 2.989 20 0 BFADLO CC/C(C)=C\C(=O)OCc1cccc2[nH+]ccn21 ZINC000835236044 587791415 /nfs/dbraw/zinc/79/14/15/587791415.db2.gz GUYXOSORDBCNTB-LUAWRHEFSA-N 1 2 244.294 2.734 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836948594 587843559 /nfs/dbraw/zinc/84/35/59/587843559.db2.gz GZJYCUIJJHLNFU-NLYDNYMLSA-N 1 2 249.358 2.827 20 0 BFADLO CCC(=CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)CC ZINC000836954687 587843719 /nfs/dbraw/zinc/84/37/19/587843719.db2.gz MWDYQQNKMUCWAA-JQWIXIFHSA-N 1 2 247.342 2.752 20 0 BFADLO CCCCCCC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000836958105 587844236 /nfs/dbraw/zinc/84/42/36/587844236.db2.gz GANCVSSYKPTEHQ-NWDGAFQWSA-N 1 2 249.358 2.976 20 0 BFADLO CC(C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)=C1CCC1 ZINC000836962489 587844311 /nfs/dbraw/zinc/84/43/11/587844311.db2.gz ZUOUHDRAVYMRIN-CABZTGNLSA-N 1 2 245.326 2.506 20 0 BFADLO CC/C=C(\C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837102847 587853776 /nfs/dbraw/zinc/85/37/76/587853776.db2.gz CVHRKUKOTBFMOC-UXBLZVDNSA-N 1 2 232.327 2.671 20 0 BFADLO COc1ccc([NH2+][C@@H](C)C2CCC2)cc1N ZINC000841041251 587938412 /nfs/dbraw/zinc/93/84/12/587938412.db2.gz YXISXKBYEOMLSZ-VIFPVBQESA-N 1 2 220.316 2.878 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841040871 587938640 /nfs/dbraw/zinc/93/86/40/587938640.db2.gz VYLPZPGQFYASIW-SECBINFHSA-N 1 2 208.305 2.735 20 0 BFADLO CC(C)C[C@@H](C)O[NH+]=C(N)Cc1cccnc1 ZINC000842036548 587992130 /nfs/dbraw/zinc/99/21/30/587992130.db2.gz NUYYGULGHXTTRL-LLVKDONJSA-N 1 2 235.331 2.557 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OCC1=CCCC1 ZINC000842650418 588049068 /nfs/dbraw/zinc/04/90/68/588049068.db2.gz OZDPUVYEQVIASQ-UHFFFAOYSA-N 1 2 248.301 2.977 20 0 BFADLO Cc1ccc(NC(=O)C2(C(F)F)CC2)c(C)[nH+]1 ZINC000843562537 588124087 /nfs/dbraw/zinc/12/40/87/588124087.db2.gz BDGSDHGXSJTTFM-UHFFFAOYSA-N 1 2 240.253 2.682 20 0 BFADLO CCCCOC(=O)[C@@H](C)[NH2+]C1(C2CCC2)CC1 ZINC000844420303 588191761 /nfs/dbraw/zinc/19/17/61/588191761.db2.gz VWEZMQXMERDSTP-LLVKDONJSA-N 1 2 239.359 2.641 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C/Cl ZINC000844474789 588198524 /nfs/dbraw/zinc/19/85/24/588198524.db2.gz QRSJTWRUSGDWEX-JARNTUPDSA-N 1 2 247.766 2.791 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C/Cl ZINC000844474789 588198525 /nfs/dbraw/zinc/19/85/25/588198525.db2.gz QRSJTWRUSGDWEX-JARNTUPDSA-N 1 2 247.766 2.791 20 0 BFADLO C[C@@H](CC(=O)OCC1CCCC1)n1cc[nH+]c1 ZINC000845280552 588225566 /nfs/dbraw/zinc/22/55/66/588225566.db2.gz JCVXQVUGZBLZMI-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO CCC[C@H](C)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845283365 588225786 /nfs/dbraw/zinc/22/57/86/588225786.db2.gz VWDGSIZIZGLPAE-MNOVXSKESA-N 1 2 224.304 2.566 20 0 BFADLO C[C@H](CC(=O)OCCCCCF)n1cc[nH+]c1 ZINC000845284986 588225866 /nfs/dbraw/zinc/22/58/66/588225866.db2.gz PNADBMNMCFLPSW-LLVKDONJSA-N 1 2 242.294 2.517 20 0 BFADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C1CCC1 ZINC000845481164 588230219 /nfs/dbraw/zinc/23/02/19/588230219.db2.gz YYKJAQGMHOWPCQ-WDEREUQCSA-N 1 2 236.315 2.566 20 0 BFADLO CCCC[C@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845492720 588230711 /nfs/dbraw/zinc/23/07/11/588230711.db2.gz HIZHMSQOCLNGIN-RYUDHWBXSA-N 1 2 238.331 2.956 20 0 BFADLO C[C@H](CC(=O)O[C@@H](C)c1ccco1)n1cc[nH+]c1 ZINC000845500354 588230975 /nfs/dbraw/zinc/23/09/75/588230975.db2.gz XTKVMQJQRCOZJQ-MNOVXSKESA-N 1 2 248.282 2.732 20 0 BFADLO CCC/C=C\COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845574554 588233572 /nfs/dbraw/zinc/23/35/72/588233572.db2.gz IKYHDLFJQPMWFE-FOQNGQEVSA-N 1 2 236.315 2.734 20 0 BFADLO CC(C)c1nc(N2CCCC(F)(F)C2)cc[nH+]1 ZINC000845633950 588238844 /nfs/dbraw/zinc/23/88/44/588238844.db2.gz PYLBCASJWPTUHR-UHFFFAOYSA-N 1 2 241.285 2.836 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC3CC3)ccc2O1 ZINC000846745644 588284437 /nfs/dbraw/zinc/28/44/37/588284437.db2.gz MHLFTXCURWEDTI-SECBINFHSA-N 1 2 203.285 2.832 20 0 BFADLO c1nsnc1C[N@H+](C1CC1)C1CCCCC1 ZINC000846774159 588287298 /nfs/dbraw/zinc/28/72/98/588287298.db2.gz NFKRWEYCPBFJOL-UHFFFAOYSA-N 1 2 237.372 2.835 20 0 BFADLO c1nsnc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000846774159 588287299 /nfs/dbraw/zinc/28/72/99/588287299.db2.gz NFKRWEYCPBFJOL-UHFFFAOYSA-N 1 2 237.372 2.835 20 0 BFADLO CC(C)(C)C1CC[NH+](Cc2cnsn2)CC1 ZINC000846809807 588290278 /nfs/dbraw/zinc/29/02/78/588290278.db2.gz WFXIPMPHQRJTJW-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cnsn3)C2)C1 ZINC000846847565 588293216 /nfs/dbraw/zinc/29/32/16/588293216.db2.gz ATHUDEICNBHMHY-CMPLNLGQSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000846847565 588293217 /nfs/dbraw/zinc/29/32/17/588293217.db2.gz ATHUDEICNBHMHY-CMPLNLGQSA-N 1 2 237.372 2.550 20 0 BFADLO C[N@H+](Cc1cnsn1)C1CCC(F)(F)CC1 ZINC000846898728 588296091 /nfs/dbraw/zinc/29/60/91/588296091.db2.gz BQZNRBSWEAIPIM-UHFFFAOYSA-N 1 2 247.314 2.548 20 0 BFADLO C[N@@H+](Cc1cnsn1)C1CCC(F)(F)CC1 ZINC000846898728 588296092 /nfs/dbraw/zinc/29/60/92/588296092.db2.gz BQZNRBSWEAIPIM-UHFFFAOYSA-N 1 2 247.314 2.548 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1cnsn1 ZINC000846910247 588296521 /nfs/dbraw/zinc/29/65/21/588296521.db2.gz MIEXGPAIUFSQBE-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846910247 588296522 /nfs/dbraw/zinc/29/65/22/588296522.db2.gz MIEXGPAIUFSQBE-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CC[N@H+](Cc1cnsn1)C1CC(C)(C)C1 ZINC000846992692 588300650 /nfs/dbraw/zinc/30/06/50/588300650.db2.gz IIUFLRQDDAOCCY-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC[N@@H+](Cc1cnsn1)C1CC(C)(C)C1 ZINC000846992692 588300651 /nfs/dbraw/zinc/30/06/51/588300651.db2.gz IIUFLRQDDAOCCY-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccc(Cl)nc1 ZINC000107038600 588323572 /nfs/dbraw/zinc/32/35/72/588323572.db2.gz LEWQJLYJLMVGIA-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO C[C@H]([NH2+]C1CC(C)C1)C(=O)OCc1ccccc1 ZINC000848920516 588420687 /nfs/dbraw/zinc/42/06/87/588420687.db2.gz DTMUZKMVHXUGCA-LXVYMNJGSA-N 1 2 247.338 2.506 20 0 BFADLO C[C@H](O)CC[NH2+]c1ccc(OCC(F)F)cc1 ZINC000849314635 588471724 /nfs/dbraw/zinc/47/17/24/588471724.db2.gz CTEKWRGQSORPEH-VIFPVBQESA-N 1 2 245.269 2.513 20 0 BFADLO Cc1cccc2[nH]c(C[NH2+]C(CF)CF)cc21 ZINC000850312993 588535916 /nfs/dbraw/zinc/53/59/16/588535916.db2.gz KRDRUXWPLUQXDR-UHFFFAOYSA-N 1 2 238.281 2.874 20 0 BFADLO CCOc1ccc(NCc2[nH]cc(C)[nH+]2)c(F)c1 ZINC000850328755 588536784 /nfs/dbraw/zinc/53/67/84/588536784.db2.gz YTHKCDZHGRHLOB-UHFFFAOYSA-N 1 2 249.289 2.868 20 0 BFADLO Cc1ccc(N[C@H]2COC3(CCC3)C2)c(C)[nH+]1 ZINC000850451713 588547370 /nfs/dbraw/zinc/54/73/70/588547370.db2.gz GQMXDGPXMUSMJO-GFCCVEGCSA-N 1 2 232.327 2.822 20 0 BFADLO OCCOc1ccc([NH2+][C@@H]2CCCC23CC3)cc1 ZINC000850459146 588547839 /nfs/dbraw/zinc/54/78/39/588547839.db2.gz YVOUVAZHDXJTSX-CQSZACIVSA-N 1 2 247.338 2.802 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)CCCF ZINC000851095618 588590602 /nfs/dbraw/zinc/59/06/02/588590602.db2.gz IJTNWYAYGWKKGR-UHFFFAOYSA-N 1 2 242.294 2.500 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1cccc(C(C)C)c1 ZINC000851749659 588622589 /nfs/dbraw/zinc/62/25/89/588622589.db2.gz JPHKDQQUGXMLLN-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1cccc(C(C)C)c1 ZINC000851749659 588622590 /nfs/dbraw/zinc/62/25/90/588622590.db2.gz JPHKDQQUGXMLLN-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CCn1cc(C[N@H+](C)CC=C(Cl)Cl)cn1 ZINC000851773505 588626079 /nfs/dbraw/zinc/62/60/79/588626079.db2.gz NUKAAQYGQBDSFA-UHFFFAOYSA-N 1 2 248.157 2.654 20 0 BFADLO CCn1cc(C[N@@H+](C)CC=C(Cl)Cl)cn1 ZINC000851773505 588626080 /nfs/dbraw/zinc/62/60/80/588626080.db2.gz NUKAAQYGQBDSFA-UHFFFAOYSA-N 1 2 248.157 2.654 20 0 BFADLO c1coc([C@H]2CCCCC[N@H+]2Cc2cnon2)c1 ZINC000851780492 588627465 /nfs/dbraw/zinc/62/74/65/588627465.db2.gz SVNOQGXJHBTUCI-GFCCVEGCSA-N 1 2 247.298 2.780 20 0 BFADLO c1coc([C@H]2CCCCC[N@@H+]2Cc2cnon2)c1 ZINC000851780492 588627466 /nfs/dbraw/zinc/62/74/66/588627466.db2.gz SVNOQGXJHBTUCI-GFCCVEGCSA-N 1 2 247.298 2.780 20 0 BFADLO C[C@H]([NH2+]Cc1cnon1)c1ccccc1Cl ZINC000851820173 588633609 /nfs/dbraw/zinc/63/36/09/588633609.db2.gz SPZATQBVENGXDK-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CC[C@@H](C)[C@@H](C)[NH2+]CC(F)(F)Br ZINC000851903498 588642260 /nfs/dbraw/zinc/64/22/60/588642260.db2.gz PGLAJHJZHXKPIU-RNFRBKRXSA-N 1 2 244.123 2.998 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@@H](C)[C@H](C)O1 ZINC000851967729 588648929 /nfs/dbraw/zinc/64/89/29/588648929.db2.gz DXDQARNTIHYACQ-VGMNWLOBSA-N 1 2 238.158 2.803 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@@H](C)[C@H](C)O1 ZINC000851967729 588648930 /nfs/dbraw/zinc/64/89/30/588648930.db2.gz DXDQARNTIHYACQ-VGMNWLOBSA-N 1 2 238.158 2.803 20 0 BFADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cnon1 ZINC000851984443 588651244 /nfs/dbraw/zinc/65/12/44/588651244.db2.gz LQMPAOVXPVAITF-WQLSENKSSA-N 1 2 243.310 2.605 20 0 BFADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cnon1 ZINC000851984443 588651245 /nfs/dbraw/zinc/65/12/45/588651245.db2.gz LQMPAOVXPVAITF-WQLSENKSSA-N 1 2 243.310 2.605 20 0 BFADLO C[C@H]([NH2+]C/C=C\Cl)c1cscn1 ZINC000852417112 588681824 /nfs/dbraw/zinc/68/18/24/588681824.db2.gz IWWQXVPKFDJBDN-XDVGHUOJSA-N 1 2 202.710 2.546 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cnc(C)o2)no1 ZINC000862224495 589195589 /nfs/dbraw/zinc/19/55/89/589195589.db2.gz KKETUKDDRZIRQO-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cnc(C)o2)no1 ZINC000862224495 589195590 /nfs/dbraw/zinc/19/55/90/589195590.db2.gz KKETUKDDRZIRQO-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Clc1cc(-c2c[nH+]c3n2CCCC3)ccn1 ZINC000863973260 589331265 /nfs/dbraw/zinc/33/12/65/589331265.db2.gz IQJRJLRVVBSDJC-UHFFFAOYSA-N 1 2 233.702 2.935 20 0 BFADLO CC(C)c1[nH+]cc(-c2cnc(Cl)n2C)n1C ZINC000863978601 589331982 /nfs/dbraw/zinc/33/19/82/589331982.db2.gz BQLWMYLXUYFUMS-UHFFFAOYSA-N 1 2 238.722 2.597 20 0 BFADLO C[C@@H]1CCC[C@@H](C2C[NH+](Cc3cnc[nH]3)C2)C1 ZINC000864055130 589335554 /nfs/dbraw/zinc/33/55/54/589335554.db2.gz IPUWKAGTSRJPGC-VXGBXAGGSA-N 1 2 233.359 2.668 20 0 BFADLO C[C@H](O)c1cccc(N(C)C[C@@H]2CC2(C)C)[nH+]1 ZINC000864089312 589342896 /nfs/dbraw/zinc/34/28/96/589342896.db2.gz POVYEPIPGBIQFW-QWRGUYRKSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@]2(C)C[C@H]3C[C@H]3C2)[nH+]1 ZINC000864090541 589343476 /nfs/dbraw/zinc/34/34/76/589343476.db2.gz FYOLZUQVUPTVMK-MCYUEQNJSA-N 1 2 246.354 2.983 20 0 BFADLO CC(C)[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000864092903 589343720 /nfs/dbraw/zinc/34/37/20/589343720.db2.gz BQUWNXCGPFQCNT-IINYFYTJSA-N 1 2 234.343 2.981 20 0 BFADLO CC(C)(C)c1cn(C[C@@H]2CCCCO2)c[nH+]1 ZINC000865374874 589428127 /nfs/dbraw/zinc/42/81/27/589428127.db2.gz NEKAHUNMJOIFMK-NSHDSACASA-N 1 2 222.332 2.750 20 0 BFADLO Cc1csc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375911 589428138 /nfs/dbraw/zinc/42/81/38/589428138.db2.gz QOXIRWRRTFFPAM-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO COc1ccc(Cn2c[nH+]c(C(C)(C)C)c2)cn1 ZINC000865375649 589428416 /nfs/dbraw/zinc/42/84/16/589428416.db2.gz KCEINTNFFTYQFC-UHFFFAOYSA-N 1 2 245.326 2.633 20 0 BFADLO C[C@H]1C[C@H]1CNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865442534 589435848 /nfs/dbraw/zinc/43/58/48/589435848.db2.gz NTNIQSPLJFWIKN-BQBZGAKWSA-N 1 2 236.706 2.679 20 0 BFADLO CC(C)n1cc(NCc2cn(C3CC3)c[nH+]2)cn1 ZINC000865445077 589436442 /nfs/dbraw/zinc/43/64/42/589436442.db2.gz DNCBMOUYNAIIJW-UHFFFAOYSA-N 1 2 245.330 2.608 20 0 BFADLO CC(C)Cc1cc(NC[C@H]2CCCOC2)nc[nH+]1 ZINC000865457538 589437106 /nfs/dbraw/zinc/43/71/06/589437106.db2.gz NGHYHFHVEWWKCQ-GFCCVEGCSA-N 1 2 249.358 2.514 20 0 BFADLO Fc1ccccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865496540 589440986 /nfs/dbraw/zinc/44/09/86/589440986.db2.gz VSIRZWBAMGOMHZ-UHFFFAOYSA-N 1 2 231.274 2.969 20 0 BFADLO CO[C@@H](C)CCNc1cc(CC(C)C)[nH+]cn1 ZINC000865499254 589441894 /nfs/dbraw/zinc/44/18/94/589441894.db2.gz IDQNHDQJEPVZIF-NSHDSACASA-N 1 2 237.347 2.512 20 0 BFADLO COC(C)(C)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865563420 589446835 /nfs/dbraw/zinc/44/68/35/589446835.db2.gz MJZVOQGQUAQKKE-UHFFFAOYSA-N 1 2 237.347 2.512 20 0 BFADLO C[C@H]1CCCN1c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865572073 589447874 /nfs/dbraw/zinc/44/78/74/589447874.db2.gz UVMJJDZDKOJEKY-ZETCQYMHSA-N 1 2 236.706 2.552 20 0 BFADLO CCOc1cc(F)cc(C[NH2+]CC(C)(F)F)c1 ZINC000865580160 589448351 /nfs/dbraw/zinc/44/83/51/589448351.db2.gz UNLNPCNIEFNQGS-UHFFFAOYSA-N 1 2 247.260 2.969 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(C)cc2F)co1 ZINC000865592227 589449748 /nfs/dbraw/zinc/44/97/48/589449748.db2.gz QMWPUMURECLVNX-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccns1 ZINC000865645035 589454341 /nfs/dbraw/zinc/45/43/41/589454341.db2.gz NKLPMGBZKAWVBR-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(OC)cc1F ZINC000865662169 589454790 /nfs/dbraw/zinc/45/47/90/589454790.db2.gz POESKMXEJJBPHM-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO C[C@@H](O)c1ccc(N2CCC[C@H](C3CC3)C2)[nH+]c1 ZINC000865812019 589462929 /nfs/dbraw/zinc/46/29/29/589462929.db2.gz HKJTXQCVFKTKJZ-RISCZKNCSA-N 1 2 246.354 2.761 20 0 BFADLO Cc1c[nH]c(CNc2cncc(C(F)F)c2)[nH+]1 ZINC000865865043 589465944 /nfs/dbraw/zinc/46/59/44/589465944.db2.gz MCFONGPGQCMUCG-UHFFFAOYSA-N 1 2 238.241 2.663 20 0 BFADLO CS[C@H]1C[C@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000866102018 589476151 /nfs/dbraw/zinc/47/61/51/589476151.db2.gz ZUGYHPKZVDUTTJ-MGCOHNPYSA-N 1 2 237.372 2.906 20 0 BFADLO CC(C)(C)OC(=O)[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 ZINC000866167199 589478854 /nfs/dbraw/zinc/47/88/54/589478854.db2.gz CTGZRDCRVSVLRT-PHIMTYICSA-N 1 2 248.326 2.614 20 0 BFADLO c1ccc(NC[C@@H]2C[C@H]2C2CCOCC2)[nH+]c1 ZINC000866181397 589479185 /nfs/dbraw/zinc/47/91/85/589479185.db2.gz FJGZUYSDFIQAMC-STQMWFEESA-N 1 2 232.327 2.556 20 0 BFADLO CC(C)c1nc(N2CC(OC(C)(C)C)C2)cc[nH+]1 ZINC000866279120 589484101 /nfs/dbraw/zinc/48/41/01/589484101.db2.gz JNGIYTZWELGNSJ-UHFFFAOYSA-N 1 2 249.358 2.604 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)s1 ZINC000866456239 589494624 /nfs/dbraw/zinc/49/46/24/589494624.db2.gz XNGIONYYVAZZRP-HTQZYQBOSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)s1 ZINC000866456245 589494641 /nfs/dbraw/zinc/49/46/41/589494641.db2.gz XNGIONYYVAZZRP-YUMQZZPRSA-N 1 2 236.344 2.586 20 0 BFADLO CC/C=C(\F)C(=O)Nc1ccc(C)[nH+]c1C ZINC000866492572 589497275 /nfs/dbraw/zinc/49/72/75/589497275.db2.gz QBLIKTRVJGUCEF-YHYXMXQVSA-N 1 2 222.263 2.900 20 0 BFADLO S=c1scnn1C[N@@H+]1CCC2(CCC2)C1 ZINC000121926485 589540724 /nfs/dbraw/zinc/54/07/24/589540724.db2.gz IAYMRKDCEADIHK-UHFFFAOYSA-N 1 2 241.385 2.508 20 0 BFADLO S=c1scnn1C[N@H+]1CCC2(CCC2)C1 ZINC000121926485 589540725 /nfs/dbraw/zinc/54/07/25/589540725.db2.gz IAYMRKDCEADIHK-UHFFFAOYSA-N 1 2 241.385 2.508 20 0 BFADLO C[C@H](CC(=O)OCCCC1CC1)n1cc[nH+]c1 ZINC000869546209 589612992 /nfs/dbraw/zinc/61/29/92/589612992.db2.gz SYSIIGFQQFTCEG-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO FC(F)(F)c1coc(COCc2[nH]cc[nH+]2)c1 ZINC000871663427 589785154 /nfs/dbraw/zinc/78/51/54/589785154.db2.gz GWBXZPOGUNLFJJ-UHFFFAOYSA-N 1 2 246.188 2.738 20 0 BFADLO CC[C@H]([NH2+]Cc1nonc1C)c1ccc(F)cc1 ZINC000871937530 589833953 /nfs/dbraw/zinc/83/39/53/589833953.db2.gz FXIKJDNYDGZHAC-LBPRGKRZSA-N 1 2 249.289 2.758 20 0 BFADLO Cc1c(Cl)cnn1C[NH+]1CCC(C)(F)CC1 ZINC000872691973 589961941 /nfs/dbraw/zinc/96/19/41/589961941.db2.gz SGCXLNJACQILDN-UHFFFAOYSA-N 1 2 245.729 2.626 20 0 BFADLO Cc1nc(N2CC[C@](C)(C(F)(F)F)C2)cc[nH+]1 ZINC000872730946 589965524 /nfs/dbraw/zinc/96/55/24/589965524.db2.gz RTUCWDFSVJKASZ-JTQLQIEISA-N 1 2 245.248 2.564 20 0 BFADLO Cc1csc([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000872733936 589965820 /nfs/dbraw/zinc/96/58/20/589965820.db2.gz SCGQWUIXEWHGNY-NSHDSACASA-N 1 2 245.351 2.840 20 0 BFADLO CC(C)c1nc(N[C@H]2CC23CCC3)cc[nH+]1 ZINC000872775377 589968488 /nfs/dbraw/zinc/96/84/88/589968488.db2.gz SXKWZRYEZSVOSS-JTQLQIEISA-N 1 2 217.316 2.955 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2nccnc2C)o1 ZINC000873186717 589990861 /nfs/dbraw/zinc/99/08/61/589990861.db2.gz DPXOIXAUQNQGEG-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO C[C@H](CC(=O)O[C@H](C)[C@H]1CC12CC2)n1cc[nH+]c1 ZINC000873625373 590062903 /nfs/dbraw/zinc/06/29/03/590062903.db2.gz YSDYFDYBXBDUSJ-IJLUTSLNSA-N 1 2 248.326 2.566 20 0 BFADLO COc1c(C)c[nH+]c(CNCc2ccco2)c1C ZINC000020056714 590070927 /nfs/dbraw/zinc/07/09/27/590070927.db2.gz HPOLGRAQESCULE-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873958498 590080899 /nfs/dbraw/zinc/08/08/99/590080899.db2.gz WVZODVGFWLEKQU-IJLUTSLNSA-N 1 2 249.358 2.598 20 0 BFADLO CCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873958498 590080901 /nfs/dbraw/zinc/08/09/01/590080901.db2.gz WVZODVGFWLEKQU-IJLUTSLNSA-N 1 2 249.358 2.598 20 0 BFADLO C[C@H](O)c1ccc(N2CCCC[C@H]2C)[nH+]c1 ZINC000124894515 590097855 /nfs/dbraw/zinc/09/78/55/590097855.db2.gz VEPBAOKESOVFNU-MNOVXSKESA-N 1 2 220.316 2.514 20 0 BFADLO C[C@H](O)c1ccc(N2CCCC[C@@H]2C)[nH+]c1 ZINC000124894715 590098141 /nfs/dbraw/zinc/09/81/41/590098141.db2.gz VEPBAOKESOVFNU-QWRGUYRKSA-N 1 2 220.316 2.514 20 0 BFADLO C[C@@H](O)c1ccc(N(C)CC(C)(C)C)[nH+]c1 ZINC000124934543 590102693 /nfs/dbraw/zinc/10/26/93/590102693.db2.gz COTSPUWWDWZNJF-SNVBAGLBSA-N 1 2 222.332 2.617 20 0 BFADLO CC(C)(C)Oc1cccc(C[NH+]2CCOCC2)c1 ZINC000876510724 590205467 /nfs/dbraw/zinc/20/54/67/590205467.db2.gz YYDQDZCVSJTUQF-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO COC[C@@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000126095195 590229874 /nfs/dbraw/zinc/22/98/74/590229874.db2.gz QBXAFBCMCCHSSJ-CQSZACIVSA-N 1 2 234.343 2.590 20 0 BFADLO COc1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000876820464 590245630 /nfs/dbraw/zinc/24/56/30/590245630.db2.gz WTNQTGWFGCXVIW-ZDUSSCGKSA-N 1 2 221.300 2.676 20 0 BFADLO COc1ccc([NH2+]CCC[C@@H]2CCO2)c(C)c1 ZINC000876843688 590248793 /nfs/dbraw/zinc/24/87/93/590248793.db2.gz SKOKYVGFGCGGBA-GFCCVEGCSA-N 1 2 235.327 2.985 20 0 BFADLO Cc1ccc(NC[C@H]2CC2(Cl)Cl)c[nH+]1 ZINC000877097472 590281733 /nfs/dbraw/zinc/28/17/33/590281733.db2.gz GFWRDIHYIVDHDL-MRVPVSSYSA-N 1 2 231.126 2.996 20 0 BFADLO CC1C[NH+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000877488549 590339019 /nfs/dbraw/zinc/33/90/19/590339019.db2.gz LPKSDTFDCHBTQQ-UHFFFAOYSA-N 1 2 224.373 2.892 20 0 BFADLO Clc1csc(C[NH+]2CC(C3CC3)C2)n1 ZINC000877542674 590351523 /nfs/dbraw/zinc/35/15/23/590351523.db2.gz VDLBKDHIYVEBNJ-UHFFFAOYSA-N 1 2 228.748 2.638 20 0 BFADLO CCOc1cc(F)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000877559736 590358825 /nfs/dbraw/zinc/35/88/25/590358825.db2.gz UECKXXIGFSNNDA-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc(F)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000877559736 590358828 /nfs/dbraw/zinc/35/88/28/590358828.db2.gz UECKXXIGFSNNDA-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C(CF)CF ZINC000877559818 590358956 /nfs/dbraw/zinc/35/89/56/590358956.db2.gz WZKYWFMSKFOSTN-ZWNOBZJWSA-N 1 2 243.297 2.660 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@H]2C2CC2)n1 ZINC000877562105 590360250 /nfs/dbraw/zinc/36/02/50/590360250.db2.gz PBGUIDUUKACPOS-QMMMGPOBSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@H]2C2CC2)n1 ZINC000877562105 590360252 /nfs/dbraw/zinc/36/02/52/590360252.db2.gz PBGUIDUUKACPOS-QMMMGPOBSA-N 1 2 228.748 2.781 20 0 BFADLO CCC1C[NH+](Cc2cnc(Cl)c(F)c2)C1 ZINC000877579359 590364321 /nfs/dbraw/zinc/36/43/21/590364321.db2.gz PUQWRTGCUSQOKX-UHFFFAOYSA-N 1 2 228.698 2.716 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)o1 ZINC000877697803 590393868 /nfs/dbraw/zinc/39/38/68/590393868.db2.gz MGWWWFVONNXBGG-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CC1(F)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000877700417 590394527 /nfs/dbraw/zinc/39/45/27/590394527.db2.gz OUFAVPBPNJMYPH-UHFFFAOYSA-N 1 2 238.306 2.876 20 0 BFADLO COCc1cc([NH2+]C[C@@H]2C[C@@H]2C)ccc1OC ZINC000877702650 590396560 /nfs/dbraw/zinc/39/65/60/590396560.db2.gz VYFYTNVNRCKKQH-QWRGUYRKSA-N 1 2 235.327 2.910 20 0 BFADLO COc1ccc(C[NH+]2CC(OC(C)(C)C)C2)cc1 ZINC000877771904 590422097 /nfs/dbraw/zinc/42/20/97/590422097.db2.gz FHCMKYTVRQJNSI-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO Cc1ccc(C[NH+]2CC(OC(C)(C)C)C2)o1 ZINC000877771751 590422648 /nfs/dbraw/zinc/42/26/48/590422648.db2.gz BNJKGDSGFCJNAR-UHFFFAOYSA-N 1 2 223.316 2.587 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1nccn1CC(F)F ZINC000877936479 590452715 /nfs/dbraw/zinc/45/27/15/590452715.db2.gz VOGPCDWQUZMPIP-SNVBAGLBSA-N 1 2 243.301 2.523 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1nccn1CC(F)F ZINC000877936479 590452716 /nfs/dbraw/zinc/45/27/16/590452716.db2.gz VOGPCDWQUZMPIP-SNVBAGLBSA-N 1 2 243.301 2.523 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1nccn1CC(F)F ZINC000877936478 590453453 /nfs/dbraw/zinc/45/34/53/590453453.db2.gz VOGPCDWQUZMPIP-JTQLQIEISA-N 1 2 243.301 2.523 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1nccn1CC(F)F ZINC000877936478 590453456 /nfs/dbraw/zinc/45/34/56/590453456.db2.gz VOGPCDWQUZMPIP-JTQLQIEISA-N 1 2 243.301 2.523 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2nocc2C)on1 ZINC000877970921 590462286 /nfs/dbraw/zinc/46/22/86/590462286.db2.gz DNMYEINUHOTHNZ-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2nocc2C)on1 ZINC000877970921 590462289 /nfs/dbraw/zinc/46/22/89/590462289.db2.gz DNMYEINUHOTHNZ-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1cccc(C)c1 ZINC000877975821 590464219 /nfs/dbraw/zinc/46/42/19/590464219.db2.gz QKICFIWSOPIYDR-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1cccc(C)c1 ZINC000877975821 590464220 /nfs/dbraw/zinc/46/42/20/590464220.db2.gz QKICFIWSOPIYDR-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000878174371 590515211 /nfs/dbraw/zinc/51/52/11/590515211.db2.gz AIHNBAUFCJYUHQ-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000878174371 590515212 /nfs/dbraw/zinc/51/52/12/590515212.db2.gz AIHNBAUFCJYUHQ-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO c1cn(C[C@@H]2CC[C@@H](c3ccccc3)O2)c[nH+]1 ZINC000878207555 590524167 /nfs/dbraw/zinc/52/41/67/590524167.db2.gz KPWXEPLCOPWAEF-KBPBESRZSA-N 1 2 228.295 2.803 20 0 BFADLO Clc1cncc(Cl)c1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316030 590542224 /nfs/dbraw/zinc/54/22/24/590542224.db2.gz FDWOCPMMIJMOOI-HQJQHLMTSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cncc(Cl)c1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000878316030 590542227 /nfs/dbraw/zinc/54/22/27/590542227.db2.gz FDWOCPMMIJMOOI-HQJQHLMTSA-N 1 2 243.137 2.983 20 0 BFADLO CC(C)[C@@H](O)CC[N@H+](CC(F)F)CC1CCC1 ZINC000878323437 590546466 /nfs/dbraw/zinc/54/64/66/590546466.db2.gz XTAZLLJUOGPJFC-LBPRGKRZSA-N 1 2 249.345 2.761 20 0 BFADLO CC(C)[C@@H](O)CC[N@@H+](CC(F)F)CC1CCC1 ZINC000878323437 590546468 /nfs/dbraw/zinc/54/64/68/590546468.db2.gz XTAZLLJUOGPJFC-LBPRGKRZSA-N 1 2 249.345 2.761 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2CCC=C(F)C2)OC1 ZINC000878339838 590551299 /nfs/dbraw/zinc/55/12/99/590551299.db2.gz PXWXIWDLRXBIGD-LBPRGKRZSA-N 1 2 227.323 2.751 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2CCC=C(F)C2)OC1 ZINC000878339838 590551301 /nfs/dbraw/zinc/55/13/01/590551301.db2.gz PXWXIWDLRXBIGD-LBPRGKRZSA-N 1 2 227.323 2.751 20 0 BFADLO FC(F)(F)CC[N@H+]1CCC=C(Cl)C1 ZINC000878791882 590623809 /nfs/dbraw/zinc/62/38/09/590623809.db2.gz ULWNWKRMWQVSFK-UHFFFAOYSA-N 1 2 213.630 2.767 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000878498820 590580470 /nfs/dbraw/zinc/58/04/70/590580470.db2.gz QUGKZAKNZDXSJF-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1conc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000878498820 590580471 /nfs/dbraw/zinc/58/04/71/590580471.db2.gz QUGKZAKNZDXSJF-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCC=C(Cl)C1 ZINC000878791882 590623808 /nfs/dbraw/zinc/62/38/08/590623808.db2.gz ULWNWKRMWQVSFK-UHFFFAOYSA-N 1 2 213.630 2.767 20 0 BFADLO C=C/C=C/CC[N@H+]1CCCC(F)(F)C1 ZINC000878804879 590625352 /nfs/dbraw/zinc/62/53/52/590625352.db2.gz VYHFGGHSBVOEGP-ONEGZZNKSA-N 1 2 201.260 2.850 20 0 BFADLO C=C/C=C/CC[N@@H+]1CCCC(F)(F)C1 ZINC000878804879 590625353 /nfs/dbraw/zinc/62/53/53/590625353.db2.gz VYHFGGHSBVOEGP-ONEGZZNKSA-N 1 2 201.260 2.850 20 0 BFADLO c1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)cs1 ZINC000878978961 590666754 /nfs/dbraw/zinc/66/67/54/590666754.db2.gz SZTXEUFPZAHJPN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc(C[N@H+]2CCC[C@H]2c2ncccn2)cs1 ZINC000878978961 590666758 /nfs/dbraw/zinc/66/67/58/590666758.db2.gz SZTXEUFPZAHJPN-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO C=C/C=C\CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000879524847 590789140 /nfs/dbraw/zinc/78/91/40/590789140.db2.gz DADSUUVXWBKIIT-WAYWQWQTSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC12CCC2 ZINC000879526461 590789718 /nfs/dbraw/zinc/78/97/18/590789718.db2.gz NAJWFYHQFMFBSC-LLVKDONJSA-N 1 2 245.326 2.763 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccon1 ZINC000880377508 591016314 /nfs/dbraw/zinc/01/63/14/591016314.db2.gz XROFNEODMKCFEL-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccon1 ZINC000880377508 591016315 /nfs/dbraw/zinc/01/63/15/591016315.db2.gz XROFNEODMKCFEL-SECBINFHSA-N 1 2 234.324 2.855 20 0 BFADLO Cc1[nH+]cnc(N2C[C@@H](C)C[C@H](C)C2)c1C ZINC000881735834 591268148 /nfs/dbraw/zinc/26/81/48/591268148.db2.gz SAAZWUCNYLSNPL-UWVGGRQHSA-N 1 2 219.332 2.576 20 0 BFADLO COc1cccc(CNc2nc[nH+]c(C)c2C)c1 ZINC000881746675 591268751 /nfs/dbraw/zinc/26/87/51/591268751.db2.gz FSGQHMLFOHHNRA-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1occc1CN(C)c1nc[nH+]c(C)c1C ZINC000881839589 591273746 /nfs/dbraw/zinc/27/37/46/591273746.db2.gz BFXROXSBGXYMDU-UHFFFAOYSA-N 1 2 231.299 2.631 20 0 BFADLO Cc1[nH+]cnc(N2CCC[C@@H](C)CC2)c1C ZINC000881858895 591274968 /nfs/dbraw/zinc/27/49/68/591274968.db2.gz QBAIANFLQLYMOS-SNVBAGLBSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCC[C@H]2C)c1C ZINC000881923460 591278446 /nfs/dbraw/zinc/27/84/46/591278446.db2.gz KQEDWAJLPNWRCP-LDYMZIIASA-N 1 2 205.305 2.694 20 0 BFADLO Cc1[nH+]cnc(N[C@@H](C)c2cccnc2)c1C ZINC000881960613 591283915 /nfs/dbraw/zinc/28/39/15/591283915.db2.gz LYZVBFOVPWVZPO-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO CSCCCCNc1nc[nH+]c(C)c1C ZINC000881995780 591285992 /nfs/dbraw/zinc/28/59/92/591285992.db2.gz XKONORHCHARNOD-UHFFFAOYSA-N 1 2 225.361 2.649 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CC=CCC2)c1C ZINC000881996642 591286290 /nfs/dbraw/zinc/28/62/90/591286290.db2.gz YOOLXZHRWUYTPZ-NSHDSACASA-N 1 2 203.289 2.614 20 0 BFADLO C[C@H](CCO)CNc1cc2ccc(F)cc2c[nH+]1 ZINC000882036214 591290171 /nfs/dbraw/zinc/29/01/71/591290171.db2.gz WHBBCQNMPWZAHX-SNVBAGLBSA-N 1 2 248.301 2.804 20 0 BFADLO CO[C@H](CNc1nc[nH+]c(C)c1C)C(C)(C)C ZINC000882040681 591290985 /nfs/dbraw/zinc/29/09/85/591290985.db2.gz UXVZBYXFOKGJPP-LLVKDONJSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1[nH+]cnc(NCC2(C)CCC2)c1C ZINC000882063644 591293789 /nfs/dbraw/zinc/29/37/89/591293789.db2.gz PLMVRIOCZJJAER-UHFFFAOYSA-N 1 2 205.305 2.696 20 0 BFADLO COCCC1(CNc2nc[nH+]c(C)c2C)CCC1 ZINC000882089495 591295931 /nfs/dbraw/zinc/29/59/31/591295931.db2.gz RBOWJTVTMQNKHP-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO CC(C)(CO)CNc1cc2ccc(F)cc2c[nH+]1 ZINC000882116515 591300005 /nfs/dbraw/zinc/30/00/05/591300005.db2.gz UACHDUMDWFDQSS-UHFFFAOYSA-N 1 2 248.301 2.804 20 0 BFADLO CC(C)=CCCNc1nc[nH+]c(C)c1C ZINC000882247664 591321326 /nfs/dbraw/zinc/32/13/26/591321326.db2.gz WSLQPZRLHHACIO-UHFFFAOYSA-N 1 2 205.305 2.862 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H](c2ccccn2)C1 ZINC000882309180 591327895 /nfs/dbraw/zinc/32/78/95/591327895.db2.gz SINSQDCXHVLIKG-LLVKDONJSA-N 1 2 243.285 2.610 20 0 BFADLO CCC(CC)(CNc1nc[nH+]c(C)c1C)OC ZINC000882396602 591342833 /nfs/dbraw/zinc/34/28/33/591342833.db2.gz KWRGONZVWWBTHE-UHFFFAOYSA-N 1 2 237.347 2.711 20 0 BFADLO COCC1(CCNc2nc[nH+]c(C)c2C)CCC1 ZINC000882401043 591343371 /nfs/dbraw/zinc/34/33/71/591343371.db2.gz QZHMGUMNPRZSCJ-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]2C(C)C)c1C ZINC000882442470 591349555 /nfs/dbraw/zinc/34/95/55/591349555.db2.gz HWMIFCGXIPIRAA-WDEREUQCSA-N 1 2 205.305 2.550 20 0 BFADLO C[C@@]1(CCNc2cc[nH+]cc2F)C[C@]1(F)Cl ZINC000882526062 591382344 /nfs/dbraw/zinc/38/23/44/591382344.db2.gz YMMFFSXDLAZNED-GHMZBOCLSA-N 1 2 246.688 2.759 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NC1CSC1 ZINC000882625391 591402650 /nfs/dbraw/zinc/40/26/50/591402650.db2.gz HMURNZWRUPAFSF-UHFFFAOYSA-N 1 2 248.273 2.936 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCCC[C@@H]2F)c1C ZINC000882681383 591411042 /nfs/dbraw/zinc/41/10/42/591411042.db2.gz NDDIJXLMGYCOLY-WDEREUQCSA-N 1 2 223.295 2.786 20 0 BFADLO Cc1ccc(NC(=S)NCC(C)C)c(C)[nH+]1 ZINC000130103473 591437995 /nfs/dbraw/zinc/43/79/95/591437995.db2.gz VUTSSFVKEKPZMU-UHFFFAOYSA-N 1 2 237.372 2.641 20 0 BFADLO FC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000882801172 591442672 /nfs/dbraw/zinc/44/26/72/591442672.db2.gz HJBTVVIXQILQBK-JTQLQIEISA-N 1 2 233.290 2.749 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](CF)C1 ZINC000882801877 591444117 /nfs/dbraw/zinc/44/41/17/591444117.db2.gz GXZUNVCXMRBQKA-NSHDSACASA-N 1 2 247.317 2.759 20 0 BFADLO C[C@@H](O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)[nH+]c1 ZINC000213231509 591455460 /nfs/dbraw/zinc/45/54/60/591455460.db2.gz CYNWHPGPUMLPJW-IJLUTSLNSA-N 1 2 234.343 2.617 20 0 BFADLO Cc1nc2ccccn2c1CNc1cccc[nH+]1 ZINC000213242867 591457364 /nfs/dbraw/zinc/45/73/64/591457364.db2.gz NBULYRCTRUWSCE-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C[C@@H](O)c1ccc(N(C)CC2CCCC2)[nH+]c1 ZINC000213289969 591460054 /nfs/dbraw/zinc/46/00/54/591460054.db2.gz MCHRKWCLUOSVQD-LLVKDONJSA-N 1 2 234.343 2.761 20 0 BFADLO CC[C@H](Nc1nc[nH+]c(C)c1C)[C@H]1CCCOC1 ZINC000882952942 591483447 /nfs/dbraw/zinc/48/34/47/591483447.db2.gz IHFGZEFAXYAAIS-STQMWFEESA-N 1 2 249.358 2.711 20 0 BFADLO C=C/C=C\CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000882973578 591488999 /nfs/dbraw/zinc/48/89/99/591488999.db2.gz CMMLDEOWKPKQMF-ZHRWSRJISA-N 1 2 240.347 2.678 20 0 BFADLO CC(C)c1c[nH]c(CNC(C)(C)C(F)F)[nH+]1 ZINC000883106810 591541220 /nfs/dbraw/zinc/54/12/20/591541220.db2.gz FJGYMDTVLYSAHH-UHFFFAOYSA-N 1 2 231.290 2.666 20 0 BFADLO Cc1cc(N[C@@H](C)C[C@H]2CCOC2)c[nH+]c1C ZINC000883341882 591619826 /nfs/dbraw/zinc/61/98/26/591619826.db2.gz CQMOGROZUQBRHU-WCQYABFASA-N 1 2 234.343 2.925 20 0 BFADLO COCC[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883341101 591620235 /nfs/dbraw/zinc/62/02/35/591620235.db2.gz IJDMDMIWMKEBLK-JTQLQIEISA-N 1 2 208.305 2.535 20 0 BFADLO Cc1cc(N[C@@H]2CCSC2)c[nH+]c1C ZINC000883341719 591620333 /nfs/dbraw/zinc/62/03/33/591620333.db2.gz YERXQRAAQJZJCN-SNVBAGLBSA-N 1 2 208.330 2.616 20 0 BFADLO Cc1nc(C)c(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000883341637 591620922 /nfs/dbraw/zinc/62/09/22/591620922.db2.gz WEIZUZCULPJXNN-UHFFFAOYSA-N 1 2 231.299 2.915 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCCOC2)c[nH+]c1C ZINC000883342724 591621530 /nfs/dbraw/zinc/62/15/30/591621530.db2.gz JKGZRZWRKZIXRF-QWHCGFSZSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(NCc2ccoc2)c[nH+]c1C ZINC000883342443 591621569 /nfs/dbraw/zinc/62/15/69/591621569.db2.gz XWXJUKGFISFBSV-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1noc(C)c1CNc1c[nH+]c(C)c(C)c1 ZINC000883342374 591621716 /nfs/dbraw/zinc/62/17/16/591621716.db2.gz URJSNELCLHUJDE-UHFFFAOYSA-N 1 2 231.299 2.915 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342161 591622119 /nfs/dbraw/zinc/62/21/19/591622119.db2.gz MNZARDNDGBVNCA-QWRGUYRKSA-N 1 2 208.305 2.534 20 0 BFADLO COC[C@@H](Nc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000883342470 591622175 /nfs/dbraw/zinc/62/21/75/591622175.db2.gz ZECKQLQJRSEZSW-CYBMUJFWSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@H](C)c2ccn(C)n2)c[nH+]c1C ZINC000883342616 591622267 /nfs/dbraw/zinc/62/22/67/591622267.db2.gz GDGCWBAVPVTYLK-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@@H]2CCCn3nccc32)c[nH+]c1C ZINC000883342943 591622715 /nfs/dbraw/zinc/62/27/15/591622715.db2.gz RXIZHLYUQRPQLY-CYBMUJFWSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1cc(N[C@@H](C)c2cncnc2C)c[nH+]c1C ZINC000883343023 591623816 /nfs/dbraw/zinc/62/38/16/591623816.db2.gz WTJFCMGBQUUXAQ-LBPRGKRZSA-N 1 2 242.326 2.970 20 0 BFADLO F[C@H]1CCc2ccccc2[C@@H]1NCc1[nH]cc[nH+]1 ZINC000883382734 591639252 /nfs/dbraw/zinc/63/92/52/591639252.db2.gz MGKLLVDRQCSHGK-JSGCOSHPSA-N 1 2 245.301 2.525 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)C(F)F)c(C)o1 ZINC000883407027 591650022 /nfs/dbraw/zinc/65/00/22/591650022.db2.gz JCFRHEYHXSYNNU-ZETCQYMHSA-N 1 2 203.232 2.640 20 0 BFADLO CCSCCCNc1cc[nH+]c(CC)n1 ZINC000884498357 591958171 /nfs/dbraw/zinc/95/81/71/591958171.db2.gz ZVSOKZJDIAVBME-UHFFFAOYSA-N 1 2 225.361 2.594 20 0 BFADLO CCc1nc(NC[C@@H](OC)[C@H](C)CC)cc[nH+]1 ZINC000884518271 591963821 /nfs/dbraw/zinc/96/38/21/591963821.db2.gz KHOFNBJGHXLEAD-GHMZBOCLSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1nc(N[C@@H]2C[C@H]2c2ccco2)cc[nH+]1 ZINC000884532754 591969826 /nfs/dbraw/zinc/96/98/26/591969826.db2.gz PJRHTSMDGLJLAZ-NXEZZACHSA-N 1 2 229.283 2.600 20 0 BFADLO CCc1nc(N[C@H]2C[C@H](OC(C)(C)C)C2)cc[nH+]1 ZINC000884548530 591976642 /nfs/dbraw/zinc/97/66/42/591976642.db2.gz MSGHCVISYCRSDO-XYPYZODXSA-N 1 2 249.358 2.797 20 0 BFADLO CCc1nc(N2CCC[C@H](CCF)C2)cc[nH+]1 ZINC000884557565 591978409 /nfs/dbraw/zinc/97/84/09/591978409.db2.gz SDPAHCSDVHDVMU-LLVKDONJSA-N 1 2 237.322 2.615 20 0 BFADLO CCc1nc(NC[C@@H](OC)C2CCCC2)cc[nH+]1 ZINC000884558777 591979171 /nfs/dbraw/zinc/97/91/71/591979171.db2.gz DIQRUUCKBWTYFQ-GFCCVEGCSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(NCc2cc(C3CC3)no2)cc[nH+]1 ZINC000884636777 591999725 /nfs/dbraw/zinc/99/97/25/591999725.db2.gz PVQMDGOIEIHNNO-UHFFFAOYSA-N 1 2 244.298 2.517 20 0 BFADLO CCOc1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000135307840 592003852 /nfs/dbraw/zinc/00/38/52/592003852.db2.gz HIMVHEWYNLKPNS-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO FC1=CCC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886102301 592154044 /nfs/dbraw/zinc/15/40/44/592154044.db2.gz CYCVSWVOEGDZFP-CYBMUJFWSA-N 1 2 239.334 2.895 20 0 BFADLO FC1=CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886102301 592154046 /nfs/dbraw/zinc/15/40/46/592154046.db2.gz CYCVSWVOEGDZFP-CYBMUJFWSA-N 1 2 239.334 2.895 20 0 BFADLO FC1=CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886102594 592155590 /nfs/dbraw/zinc/15/55/90/592155590.db2.gz KOCKLERTQNMKNP-OLZOCXBDSA-N 1 2 225.307 2.503 20 0 BFADLO FC1=CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886102594 592155591 /nfs/dbraw/zinc/15/55/91/592155591.db2.gz KOCKLERTQNMKNP-OLZOCXBDSA-N 1 2 225.307 2.503 20 0 BFADLO Cc1coc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000886183733 592171891 /nfs/dbraw/zinc/17/18/91/592171891.db2.gz LVOSPSAJDGRSFE-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2cscc2Cl)n1 ZINC000886199327 592172077 /nfs/dbraw/zinc/17/20/77/592172077.db2.gz RTTYKLYBACZZHO-UHFFFAOYSA-N 1 2 241.747 2.723 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ncco1 ZINC000886272641 592192784 /nfs/dbraw/zinc/19/27/84/592192784.db2.gz WVGNLFGIPOLOPL-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886275683 592195325 /nfs/dbraw/zinc/19/53/25/592195325.db2.gz IONWPMOFZPORSJ-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO CCOc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000886276149 592195408 /nfs/dbraw/zinc/19/54/08/592195408.db2.gz YJCRAIBFAKFMHV-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ncco1 ZINC000886275495 592195719 /nfs/dbraw/zinc/19/57/19/592195719.db2.gz AUVDPFCMFPVHFW-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Clc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc(Cl)n1 ZINC000886336226 592211665 /nfs/dbraw/zinc/21/16/65/592211665.db2.gz ODALAWBZTPPMCY-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc(Cl)n1 ZINC000886336226 592211668 /nfs/dbraw/zinc/21/16/68/592211668.db2.gz ODALAWBZTPPMCY-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO COc1ccc(N[C@@H]2CCc3cccnc32)[nH+]c1 ZINC000886576791 592267099 /nfs/dbraw/zinc/26/70/99/592267099.db2.gz PFOASMCUGXDTRX-GFCCVEGCSA-N 1 2 241.294 2.585 20 0 BFADLO CO[C@H]1CCC[C@H]([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000886628351 592280812 /nfs/dbraw/zinc/28/08/12/592280812.db2.gz NVNVHFUAFMHQRR-UTLUCORTSA-N 1 2 239.281 2.875 20 0 BFADLO CC(C)(C)OCC[N@H+](CC(F)F)C1CCC1 ZINC000887098875 592442167 /nfs/dbraw/zinc/44/21/67/592442167.db2.gz FVWKWDYJDSGKGA-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)(C)OCC[N@@H+](CC(F)F)C1CCC1 ZINC000887098875 592442171 /nfs/dbraw/zinc/44/21/71/592442171.db2.gz FVWKWDYJDSGKGA-UHFFFAOYSA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@@H](C[N@H+](CC(F)F)C1CCC1)OC ZINC000887102644 592443571 /nfs/dbraw/zinc/44/35/71/592443571.db2.gz YYPPCESTDCPBBY-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000301733406 592538337 /nfs/dbraw/zinc/53/83/37/592538337.db2.gz NDGHIVCJARCYBP-WFASDCNBSA-N 1 2 248.370 2.980 20 0 BFADLO CC[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCOC1 ZINC000301733406 592538339 /nfs/dbraw/zinc/53/83/39/592538339.db2.gz NDGHIVCJARCYBP-WFASDCNBSA-N 1 2 248.370 2.980 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC=CCCC2)c[nH+]1 ZINC000890050970 592672018 /nfs/dbraw/zinc/67/20/18/592672018.db2.gz DYSADUWDIUFOOK-GFCCVEGCSA-N 1 2 247.342 2.584 20 0 BFADLO c1csc(C[NH2+][C@@H]2CCCc3[nH]ncc32)c1 ZINC000335603211 634496258 /nfs/dbraw/zinc/49/62/58/634496258.db2.gz UWFIKODUYGCPOD-LLVKDONJSA-N 1 2 233.340 2.638 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CCc3cccnc32)s1 ZINC000236004938 635593196 /nfs/dbraw/zinc/59/31/96/635593196.db2.gz OLKOPJVPEFCSGK-NSHDSACASA-N 1 2 245.351 2.624 20 0 BFADLO O=C(CCc1c[nH]c[nH+]1)NC1CCCCCCC1 ZINC000188868609 631299930 /nfs/dbraw/zinc/29/99/30/631299930.db2.gz AUAXXCSEHLGYDU-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO O=C(CCc1c[nH+]c[nH]1)NC1CCCCCCC1 ZINC000188868609 631299939 /nfs/dbraw/zinc/29/99/39/631299939.db2.gz AUAXXCSEHLGYDU-UHFFFAOYSA-N 1 2 249.358 2.571 20 0 BFADLO C[C@H]([NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000084222770 631437689 /nfs/dbraw/zinc/43/76/89/631437689.db2.gz MMILBNUUQNNRHY-LBPRGKRZSA-N 1 2 249.354 2.549 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1cccc(Cl)n1 ZINC000092366399 631552890 /nfs/dbraw/zinc/55/28/90/631552890.db2.gz FSJHLGRNAMTKMP-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1cccc(Cl)n1 ZINC000092366399 631552898 /nfs/dbraw/zinc/55/28/98/631552898.db2.gz FSJHLGRNAMTKMP-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO Cc1cscc1C[NH2+][C@@H](C)c1ncco1 ZINC000926303793 631576108 /nfs/dbraw/zinc/57/61/08/631576108.db2.gz NYHLINRXDIAACC-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H]1CO ZINC000934025241 631601506 /nfs/dbraw/zinc/60/15/06/631601506.db2.gz CPCABSSCSLEOLD-SCZZXKLOSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H]1CO ZINC000934025241 631601513 /nfs/dbraw/zinc/60/15/13/631601513.db2.gz CPCABSSCSLEOLD-SCZZXKLOSA-N 1 2 243.709 2.607 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC1(C)C ZINC000309030991 631806208 /nfs/dbraw/zinc/80/62/08/631806208.db2.gz BOINOAZDWCOYQX-JTQLQIEISA-N 1 2 206.289 2.691 20 0 BFADLO C=C(Cl)C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009961 632041322 /nfs/dbraw/zinc/04/13/22/632041322.db2.gz NYCPLNLCCXTGPS-SNVBAGLBSA-N 1 2 226.707 2.872 20 0 BFADLO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000052009961 632041329 /nfs/dbraw/zinc/04/13/29/632041329.db2.gz NYCPLNLCCXTGPS-SNVBAGLBSA-N 1 2 226.707 2.872 20 0 BFADLO Cc1ncc(CCNc2cccc[nH+]2)s1 ZINC000309221689 632823985 /nfs/dbraw/zinc/82/39/85/632823985.db2.gz VINGARQLXZHALE-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccon2)cc1Cl ZINC000235893721 632846170 /nfs/dbraw/zinc/84/61/70/632846170.db2.gz USCLPVICXPVEHR-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO C[C@@H](O)CC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925067977 635887972 /nfs/dbraw/zinc/88/79/72/635887972.db2.gz CHKHTTXTVPJGNG-MNOVXSKESA-N 1 2 243.297 2.527 20 0 BFADLO CC[C@]1(C)CCCN(c2nccn3c[nH+]cc23)C1 ZINC000892723999 633193207 /nfs/dbraw/zinc/19/32/07/633193207.db2.gz QSBCLZQCMIQGHM-CQSZACIVSA-N 1 2 244.342 2.746 20 0 BFADLO CCC1(CC)C[NH+](Cc2ccc(Cl)nn2)C1 ZINC000309695101 633228951 /nfs/dbraw/zinc/22/89/51/633228951.db2.gz DCYXTNUTOJHLEQ-UHFFFAOYSA-N 1 2 239.750 2.752 20 0 BFADLO CC[C@@H](O)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892936609 633737786 /nfs/dbraw/zinc/73/77/86/633737786.db2.gz IHHXREXNRPWRRF-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccnc(Cl)c1 ZINC000309797132 633751924 /nfs/dbraw/zinc/75/19/24/633751924.db2.gz QKTJNPXJQINNDC-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CNc1cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)nc[nH+]1 ZINC000893119984 633843475 /nfs/dbraw/zinc/84/34/75/633843475.db2.gz DTYRTONJVHCIFT-BXUZGUMPSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@@]3(CC[C@@H](C)C3)C2)[nH+]cn1 ZINC000893119984 633843479 /nfs/dbraw/zinc/84/34/79/633843479.db2.gz DTYRTONJVHCIFT-BXUZGUMPSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000295138207 633847403 /nfs/dbraw/zinc/84/74/03/633847403.db2.gz LXTGYGZPVZWGNI-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000295138207 633847406 /nfs/dbraw/zinc/84/74/06/633847406.db2.gz LXTGYGZPVZWGNI-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c[nH]cn1 ZINC000295138207 633847407 /nfs/dbraw/zinc/84/74/07/633847407.db2.gz LXTGYGZPVZWGNI-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1c[nH]cn1 ZINC000295138207 633847408 /nfs/dbraw/zinc/84/74/08/633847408.db2.gz LXTGYGZPVZWGNI-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO CC[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931767388 635324649 /nfs/dbraw/zinc/32/46/49/635324649.db2.gz LIGMZTUHHMMRSB-NSHDSACASA-N 1 2 243.310 2.578 20 0 BFADLO OCCCC[N@H+](C/C(Cl)=C/Cl)C1CC1 ZINC000304440756 636322001 /nfs/dbraw/zinc/32/20/01/636322001.db2.gz WYCHTCXQEAPJMJ-CLFYSBASSA-N 1 2 238.158 2.542 20 0 BFADLO OCCCC[N@@H+](C/C(Cl)=C/Cl)C1CC1 ZINC000304440756 636322008 /nfs/dbraw/zinc/32/20/08/636322008.db2.gz WYCHTCXQEAPJMJ-CLFYSBASSA-N 1 2 238.158 2.542 20 0 BFADLO Cc1cc(N[C@@H](C)C(C)(C)O)nc(C2CCC2)[nH+]1 ZINC000897328633 636341167 /nfs/dbraw/zinc/34/11/67/636341167.db2.gz RZWFJYAKELVACF-JTQLQIEISA-N 1 2 249.358 2.624 20 0 BFADLO O=C(c1cc2c[nH+]ccc2[nH]1)N1CCCCCC1 ZINC000928998120 636699295 /nfs/dbraw/zinc/69/92/95/636699295.db2.gz QJSJOVDPSBSMBG-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC000067647849 636758482 /nfs/dbraw/zinc/75/84/82/636758482.db2.gz ZQXBSSCFJLCTPX-ONEGZZNKSA-N 1 2 234.205 2.584 20 0 BFADLO CC[C@H](C)Cc1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904268869 637395228 /nfs/dbraw/zinc/39/52/28/637395228.db2.gz LTIADMDOVSSVIU-QMMMGPOBSA-N 1 2 246.314 2.611 20 0 BFADLO CC[NH2+]Cc1noc([C@@]2(C)CCC(C)=C(C)C2)n1 ZINC000904495446 637422796 /nfs/dbraw/zinc/42/27/96/637422796.db2.gz VAZDSJJMXFLZRG-AWEZNQCLSA-N 1 2 249.358 2.957 20 0 BFADLO CC(C)(C)n1cc(-c2cccc3[nH+]ccn32)cn1 ZINC000904832110 637496871 /nfs/dbraw/zinc/49/68/71/637496871.db2.gz VMXGCJRJXJQKBA-UHFFFAOYSA-N 1 2 240.310 2.953 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCCCC2)c(C)[nH+]1 ZINC000905016674 637549476 /nfs/dbraw/zinc/54/94/76/637549476.db2.gz WMGSFGIEWMOCGR-UHFFFAOYSA-N 1 2 232.327 2.633 20 0 BFADLO Cc1cc(C)c(C(=O)NCCC(C)C)c(C)[nH+]1 ZINC000905047083 637564034 /nfs/dbraw/zinc/56/40/34/637564034.db2.gz DUFCRPFYLKFOMA-UHFFFAOYSA-N 1 2 234.343 2.783 20 0 BFADLO CCC(CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905069733 637600836 /nfs/dbraw/zinc/60/08/36/637600836.db2.gz HCNVDKNJLKUSHI-UHFFFAOYSA-N 1 2 234.343 2.925 20 0 BFADLO CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905774021 637928419 /nfs/dbraw/zinc/92/84/19/637928419.db2.gz WVNJZRGQKSMMEW-SNVBAGLBSA-N 1 2 234.343 2.925 20 0 BFADLO c1[nH]c2ncccc2c1-c1c[nH+]c2n1CCCC2 ZINC000906205727 638107451 /nfs/dbraw/zinc/10/74/51/638107451.db2.gz LHJQVHLSGVKFNZ-UHFFFAOYSA-N 1 2 238.294 2.763 20 0 BFADLO Cc1cc(C)c(C(=O)NCCCC2CC2)c(C)[nH+]1 ZINC000906746689 638238165 /nfs/dbraw/zinc/23/81/65/638238165.db2.gz YTFYBQOORCHLEN-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000906746492 638238710 /nfs/dbraw/zinc/23/87/10/638238710.db2.gz STCSFGRTLXTGJZ-ZDUSSCGKSA-N 1 2 244.338 2.845 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@H]2C)c(C)[nH+]1 ZINC000906855550 638263031 /nfs/dbraw/zinc/26/30/31/638263031.db2.gz LDYNBUJRNQCDGA-LLVKDONJSA-N 1 2 232.327 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000906897297 638272922 /nfs/dbraw/zinc/27/29/22/638272922.db2.gz CAASVAJPUJYCSW-NOZJJQNGSA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cc(C)c(C(=O)N2[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000907874868 638496124 /nfs/dbraw/zinc/49/61/24/638496124.db2.gz SJFFUSRRYOUNAP-QWRGUYRKSA-N 1 2 232.327 2.630 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000907939697 638516519 /nfs/dbraw/zinc/51/65/19/638516519.db2.gz LBKDXAZGDARBQE-QWHCGFSZSA-N 1 2 244.338 2.535 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC=C(C)C2)c(C)[nH+]1 ZINC000907952265 638522346 /nfs/dbraw/zinc/52/23/46/638522346.db2.gz UJWRBZAREZJMGH-UHFFFAOYSA-N 1 2 244.338 2.799 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930220243 639639851 /nfs/dbraw/zinc/63/98/51/639639851.db2.gz BFKVCZKOSOMSPS-SNVBAGLBSA-N 1 2 245.326 2.824 20 0 BFADLO CC1=C(C)C[N@H+](Cc2c(F)cncc2F)CC1 ZINC000930299303 639690681 /nfs/dbraw/zinc/69/06/81/639690681.db2.gz YANFYTMJCCYBAG-UHFFFAOYSA-N 1 2 238.281 2.902 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2c(F)cncc2F)CC1 ZINC000930299303 639690686 /nfs/dbraw/zinc/69/06/86/639690686.db2.gz YANFYTMJCCYBAG-UHFFFAOYSA-N 1 2 238.281 2.902 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000930511985 639790151 /nfs/dbraw/zinc/79/01/51/639790151.db2.gz AFKKGTILBXXLLU-ZJUUUORDSA-N 1 2 241.285 2.515 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000930511985 639790156 /nfs/dbraw/zinc/79/01/56/639790156.db2.gz AFKKGTILBXXLLU-ZJUUUORDSA-N 1 2 241.285 2.515 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2occc2C)o1 ZINC000930554676 639810189 /nfs/dbraw/zinc/81/01/89/639810189.db2.gz NCKIBPNWABFFJP-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2occc2C)o1 ZINC000930554676 639810191 /nfs/dbraw/zinc/81/01/91/639810191.db2.gz NCKIBPNWABFFJP-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO c1nnc(C[NH+]2CCC(C3CCC3)CC2)s1 ZINC000930964055 639996595 /nfs/dbraw/zinc/99/65/95/639996595.db2.gz ZDDZJKZMOKMWJT-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141342 640075315 /nfs/dbraw/zinc/07/53/15/640075315.db2.gz WOJSAZDXFBKBLV-AVGNSLFASA-N 1 2 248.374 2.768 20 0 BFADLO C[C@H]1CCC[C@H](C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141342 640075327 /nfs/dbraw/zinc/07/53/27/640075327.db2.gz WOJSAZDXFBKBLV-AVGNSLFASA-N 1 2 248.374 2.768 20 0 BFADLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@H]2C(F)F)C[C@H](C)O1 ZINC000931428060 640187765 /nfs/dbraw/zinc/18/77/65/640187765.db2.gz VRJJZFCTEBAATF-ZDCRXTMVSA-N 1 2 233.302 2.529 20 0 BFADLO C[C@@H]1C[C@H](C[N@H+]2CC[C@H]2C(F)F)C[C@H](C)O1 ZINC000931428060 640187767 /nfs/dbraw/zinc/18/77/67/640187767.db2.gz VRJJZFCTEBAATF-ZDCRXTMVSA-N 1 2 233.302 2.529 20 0 BFADLO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H]2C(F)F)C[C@H](C)O1 ZINC000931428059 640188550 /nfs/dbraw/zinc/18/85/50/640188550.db2.gz VRJJZFCTEBAATF-VPOLOUISSA-N 1 2 233.302 2.529 20 0 BFADLO C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]2C(F)F)C[C@H](C)O1 ZINC000931428059 640188553 /nfs/dbraw/zinc/18/85/53/640188553.db2.gz VRJJZFCTEBAATF-VPOLOUISSA-N 1 2 233.302 2.529 20 0 BFADLO Cc1cc(C)[nH+]c(CN2OC3CCC2CC3)c1 ZINC000931570601 640278228 /nfs/dbraw/zinc/27/82/28/640278228.db2.gz FLHYFORZIQKPMZ-UHFFFAOYSA-N 1 2 232.327 2.757 20 0 BFADLO CN(CC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931610260 640288377 /nfs/dbraw/zinc/28/83/77/640288377.db2.gz JTISIHICQPJFIJ-UHFFFAOYSA-N 1 2 245.326 2.681 20 0 BFADLO FC[C@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000931682879 640312048 /nfs/dbraw/zinc/31/20/48/640312048.db2.gz QLRCDLMLSPBMEM-SECBINFHSA-N 1 2 244.260 2.541 20 0 BFADLO FC[C@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000931682879 640312057 /nfs/dbraw/zinc/31/20/57/640312057.db2.gz QLRCDLMLSPBMEM-SECBINFHSA-N 1 2 244.260 2.541 20 0 BFADLO CC(C)([NH2+]Cc1ccoc1)c1nccs1 ZINC000164096983 640444259 /nfs/dbraw/zinc/44/42/59/640444259.db2.gz HIUGDSHTMIHMFV-UHFFFAOYSA-N 1 2 222.313 2.761 20 0 BFADLO Cc1conc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932387481 640515769 /nfs/dbraw/zinc/51/57/69/640515769.db2.gz YUYVNRHZHUJKOW-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO CCOC[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164937062 640519240 /nfs/dbraw/zinc/51/92/40/640519240.db2.gz AVVZNRLLSUJVRS-LBPRGKRZSA-N 1 2 236.359 2.898 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)cc[nH+]1 ZINC000932607088 640582126 /nfs/dbraw/zinc/58/21/26/640582126.db2.gz PGMZGJZOISRJOY-XYYAHUGASA-N 1 2 244.338 2.577 20 0 BFADLO Cc1ccc(CC[N@H+]2CC(=O)CC[C@H]2C)cc1 ZINC000932875286 640635149 /nfs/dbraw/zinc/63/51/49/640635149.db2.gz SQVFRBVSFUMCKC-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[N@@H+]2CC(=O)CC[C@H]2C)cc1 ZINC000932875286 640635153 /nfs/dbraw/zinc/63/51/53/640635153.db2.gz SQVFRBVSFUMCKC-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO c1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)co1 ZINC000157365457 640668617 /nfs/dbraw/zinc/66/86/17/640668617.db2.gz SDEPPTVUHFUVLO-UHFFFAOYSA-N 1 2 245.326 2.881 20 0 BFADLO Cc1ccc(NCc2ccoc2)c(C)[nH+]1 ZINC000087151744 640852194 /nfs/dbraw/zinc/85/21/94/640852194.db2.gz PYDLADRSCRMNGK-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO c1ccc(NC[C@@H]2COc3ccccc3C2)[nH+]c1 ZINC000061173278 640933017 /nfs/dbraw/zinc/93/30/17/640933017.db2.gz PBTMPJMCJZYKRZ-GFCCVEGCSA-N 1 2 240.306 2.745 20 0 BFADLO C[NH+](C)[C@@H](CNCc1ccoc1)c1ccccc1 ZINC000062103379 641019530 /nfs/dbraw/zinc/01/95/30/641019530.db2.gz UMWYXQMTPOQSBT-HNNXBMFYSA-N 1 2 244.338 2.672 20 0 BFADLO CCCC1(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000230145508 641030333 /nfs/dbraw/zinc/03/03/33/641030333.db2.gz DVPRJWKMAOXLHZ-LLVKDONJSA-N 1 2 241.375 2.887 20 0 BFADLO CCCCC1([NH2+][C@@H](C)C(=O)OCCC)CC1 ZINC000934207784 641102638 /nfs/dbraw/zinc/10/26/38/641102638.db2.gz WRZINQMMMYRTEZ-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO CCCCC1([NH2+][C@@H](CC)C(=O)OCC)CC1 ZINC000934207624 641103461 /nfs/dbraw/zinc/10/34/61/641103461.db2.gz SKMMEBXDMHKEPM-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO Fc1ccc2c(c1)CC[N@@H+](C/C=C\Cl)C2 ZINC000255233041 641179553 /nfs/dbraw/zinc/17/95/53/641179553.db2.gz GLXOZKAKBIHHHK-KTAJNNJTSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1ccc2c(c1)CC[N@H+](C/C=C\Cl)C2 ZINC000255233041 641179557 /nfs/dbraw/zinc/17/95/57/641179557.db2.gz GLXOZKAKBIHHHK-KTAJNNJTSA-N 1 2 225.694 2.936 20 0 BFADLO CSCC(C)(C)[NH2+]CC(F)(F)C(F)F ZINC000934676074 641244143 /nfs/dbraw/zinc/24/41/43/641244143.db2.gz SCYQTOAVXJVRBI-UHFFFAOYSA-N 1 2 233.274 2.618 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](c2ccncc2)C2CC2)o1 ZINC000934692791 641246738 /nfs/dbraw/zinc/24/67/38/641246738.db2.gz QTVBLNRGGQXBPE-CQSZACIVSA-N 1 2 243.310 2.619 20 0 BFADLO CCc1ccc2c(c1)CCN2Cc1c[nH+]cn1C ZINC000934905408 641299450 /nfs/dbraw/zinc/29/94/50/641299450.db2.gz JXPLDGIRMOTWOB-UHFFFAOYSA-N 1 2 241.338 2.545 20 0 BFADLO C[C@@H](c1nc([C@H]2CCC[C@@H](C)C2)no1)[NH+](C)C ZINC000350592750 641363799 /nfs/dbraw/zinc/36/37/99/641363799.db2.gz HNBXELZCGXDLOV-VWYCJHECSA-N 1 2 237.347 2.986 20 0 BFADLO C=C[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000187539887 641547247 /nfs/dbraw/zinc/54/72/47/641547247.db2.gz RCXXKRKRYGCLLL-JSGCOSHPSA-N 1 2 247.338 2.797 20 0 BFADLO C=C[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000187539887 641547250 /nfs/dbraw/zinc/54/72/50/641547250.db2.gz RCXXKRKRYGCLLL-JSGCOSHPSA-N 1 2 247.338 2.797 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]CC(C)(C)c1ccccc1 ZINC000043642120 641570327 /nfs/dbraw/zinc/57/03/27/641570327.db2.gz CTMNIWANMVTMFJ-LBPRGKRZSA-N 1 2 249.354 2.505 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@@H]2C=CCC2)c(C)[nH+]1 ZINC000914287407 641633228 /nfs/dbraw/zinc/63/32/28/641633228.db2.gz SBSCKTOEHNZQPD-CYBMUJFWSA-N 1 2 244.338 2.703 20 0 BFADLO CCCC[N@H+](CC)Cn1ncn(CC)c1=S ZINC000914567224 641737746 /nfs/dbraw/zinc/73/77/46/641737746.db2.gz KBZSEMRWVFXXIB-UHFFFAOYSA-N 1 2 242.392 2.513 20 0 BFADLO CCCC[N@@H+](CC)Cn1ncn(CC)c1=S ZINC000914567224 641737749 /nfs/dbraw/zinc/73/77/49/641737749.db2.gz KBZSEMRWVFXXIB-UHFFFAOYSA-N 1 2 242.392 2.513 20 0 BFADLO C[C@H](c1nc([C@@H]2CCC[C@H](C)C2)no1)[NH+](C)C ZINC000923861109 641857873 /nfs/dbraw/zinc/85/78/73/641857873.db2.gz HNBXELZCGXDLOV-HBNTYKKESA-N 1 2 237.347 2.986 20 0 BFADLO CC=C(CC)C(=O)NNc1cc[nH+]cc1Cl ZINC000191033040 641898741 /nfs/dbraw/zinc/89/87/41/641898741.db2.gz ANPYITYBIVZQQG-FPYGCLRLSA-N 1 2 239.706 2.534 20 0 BFADLO C=CC[N@@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191533796 641929304 /nfs/dbraw/zinc/92/93/04/641929304.db2.gz LRSWBYWXZWCRNQ-UHFFFAOYSA-N 1 2 229.682 2.803 20 0 BFADLO C=CC[N@H+](C)Cc1c(O)ccc(Cl)c1F ZINC000191533796 641929306 /nfs/dbraw/zinc/92/93/06/641929306.db2.gz LRSWBYWXZWCRNQ-UHFFFAOYSA-N 1 2 229.682 2.803 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccnc1Cl ZINC000192150677 641967192 /nfs/dbraw/zinc/96/71/92/641967192.db2.gz AGVXZOCRLUXXSY-UHFFFAOYSA-N 1 2 237.665 2.881 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2ccno2)CC1 ZINC000271834704 641988227 /nfs/dbraw/zinc/98/82/27/641988227.db2.gz UYRRXRUVQDRZEQ-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO CC[C@H](Cn1c[nH+]c(Cc2ccccc2)c1)OC ZINC000919152300 642304375 /nfs/dbraw/zinc/30/43/75/642304375.db2.gz YXFOKSDHUCIDBE-OAHLLOKOSA-N 1 2 244.338 2.899 20 0 BFADLO CC[N@H+](Cc1ccsc1)C(C)(C)C(=O)OC ZINC000933184619 642376684 /nfs/dbraw/zinc/37/66/84/642376684.db2.gz GIGIBVIOQXPTCB-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CC[N@@H+](Cc1ccsc1)C(C)(C)C(=O)OC ZINC000933184619 642376689 /nfs/dbraw/zinc/37/66/89/642376689.db2.gz GIGIBVIOQXPTCB-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCC1CC[NH+](Cn2cc(Cl)cn2)CC1 ZINC000921186989 642584258 /nfs/dbraw/zinc/58/42/58/642584258.db2.gz YYWCXUHFEPDHFM-UHFFFAOYSA-N 1 2 227.739 2.616 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000180248805 642780388 /nfs/dbraw/zinc/78/03/88/642780388.db2.gz CXFAKQPYRXUWLT-LLVKDONJSA-N 1 2 234.343 2.973 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2ccco2)n1 ZINC000069168472 642834976 /nfs/dbraw/zinc/83/49/76/642834976.db2.gz SYLXIBKKBNOKBD-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CNc1cc(N[C@H](C)Cc2ccsc2)[nH+]cn1 ZINC000130883321 642853834 /nfs/dbraw/zinc/85/38/34/642853834.db2.gz IUVJAXMVQYMOOV-SECBINFHSA-N 1 2 248.355 2.623 20 0 BFADLO CC(C)COC(=O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000181424057 642870293 /nfs/dbraw/zinc/87/02/93/642870293.db2.gz UVAMQZQMMZQVLC-ZDUSSCGKSA-N 1 2 249.354 2.879 20 0 BFADLO CC(C)COC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000181424057 642870298 /nfs/dbraw/zinc/87/02/98/642870298.db2.gz UVAMQZQMMZQVLC-ZDUSSCGKSA-N 1 2 249.354 2.879 20 0 BFADLO N#CCOc1ccc(CNc2cccc[nH+]2)cc1 ZINC000069831298 642921913 /nfs/dbraw/zinc/92/19/13/642921913.db2.gz BSPXMYBQPFPBQN-UHFFFAOYSA-N 1 2 239.278 2.596 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1nccn1C ZINC000070443826 643027573 /nfs/dbraw/zinc/02/75/73/643027573.db2.gz WXKILZBBTSWWDK-NSHDSACASA-N 1 2 244.342 2.659 20 0 BFADLO CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C ZINC000019959419 643049481 /nfs/dbraw/zinc/04/94/81/643049481.db2.gz YXAHCMCIGWDJPL-MRXNPFEDSA-N 1 2 246.398 2.877 20 0 BFADLO CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C ZINC000019959419 643049492 /nfs/dbraw/zinc/04/94/92/643049492.db2.gz YXAHCMCIGWDJPL-MRXNPFEDSA-N 1 2 246.398 2.877 20 0 BFADLO COCC[N@@H+](Cc1ccoc1)Cc1ccco1 ZINC000092562567 643145857 /nfs/dbraw/zinc/14/58/57/643145857.db2.gz SLXXOACWOKSAOD-UHFFFAOYSA-N 1 2 235.283 2.521 20 0 BFADLO COCC[N@H+](Cc1ccoc1)Cc1ccco1 ZINC000092562567 643145868 /nfs/dbraw/zinc/14/58/68/643145868.db2.gz SLXXOACWOKSAOD-UHFFFAOYSA-N 1 2 235.283 2.521 20 0 BFADLO CCCCOC(=O)C[N@H+](CC)Cc1ccccc1 ZINC000049773175 643391551 /nfs/dbraw/zinc/39/15/51/643391551.db2.gz XTGCZEMNDZWJKE-UHFFFAOYSA-N 1 2 249.354 2.852 20 0 BFADLO CCCCOC(=O)C[N@@H+](CC)Cc1ccccc1 ZINC000049773175 643391557 /nfs/dbraw/zinc/39/15/57/643391557.db2.gz XTGCZEMNDZWJKE-UHFFFAOYSA-N 1 2 249.354 2.852 20 0 BFADLO C/C=C\COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000255130944 643474481 /nfs/dbraw/zinc/47/44/81/643474481.db2.gz GRVHACJENRYXPI-SDQPKGBYSA-N 1 2 247.338 2.799 20 0 BFADLO C/C=C\COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000255130944 643474485 /nfs/dbraw/zinc/47/44/85/643474485.db2.gz GRVHACJENRYXPI-SDQPKGBYSA-N 1 2 247.338 2.799 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2nonc2C)cc1 ZINC000733897488 643477584 /nfs/dbraw/zinc/47/75/84/643477584.db2.gz STNMWJGIMDTLMA-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2nonc2C)cc1 ZINC000733897488 643477587 /nfs/dbraw/zinc/47/75/87/643477587.db2.gz STNMWJGIMDTLMA-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C[C@H]1C(=O)CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000932843857 643521757 /nfs/dbraw/zinc/52/17/57/643521757.db2.gz ADLPACLINSVPKT-QWRGUYRKSA-N 1 2 245.313 2.865 20 0 BFADLO C[C@H]1C(=O)CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000932843857 643521770 /nfs/dbraw/zinc/52/17/70/643521770.db2.gz ADLPACLINSVPKT-QWRGUYRKSA-N 1 2 245.313 2.865 20 0 BFADLO Clc1ncccc1C[NH2+]Cc1ccco1 ZINC000083352307 643532982 /nfs/dbraw/zinc/53/29/82/643532982.db2.gz HVFGGARNMZSVCM-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CSCc1cnc(C[N@@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000816646921 643553928 /nfs/dbraw/zinc/55/39/28/643553928.db2.gz KVLAXQKFLZSJLK-RKDXNWHRSA-N 1 2 242.413 2.846 20 0 BFADLO CSCc1cnc(C[N@H+]2C[C@@H](C)[C@H]2C)s1 ZINC000816646921 643553929 /nfs/dbraw/zinc/55/39/29/643553929.db2.gz KVLAXQKFLZSJLK-RKDXNWHRSA-N 1 2 242.413 2.846 20 0 BFADLO CC(C(=O)OCc1ccc(N)[nH+]c1)=C1CCCC1 ZINC000922516654 644008029 /nfs/dbraw/zinc/00/80/29/644008029.db2.gz UDZDCTZAZDNHQT-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO CCC(CC)CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922523660 644013183 /nfs/dbraw/zinc/01/31/83/644013183.db2.gz BPFLACINQMMBHM-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CCCC1(C(=O)OCc2ccc[nH+]c2N)CCC1 ZINC000922527766 644016369 /nfs/dbraw/zinc/01/63/69/644016369.db2.gz YMGXKZAGOWOGBR-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO c1cc(C[NH2+][C@H](c2ncccn2)C2CC2)cs1 ZINC000922580322 644032412 /nfs/dbraw/zinc/03/24/12/644032412.db2.gz BFCXCSMVQRHUKH-LBPRGKRZSA-N 1 2 245.351 2.779 20 0 BFADLO C[C@@H]1CCC[C@@H]1CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922614093 644041897 /nfs/dbraw/zinc/04/18/97/644041897.db2.gz HINXXFVARZHLLB-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)CCCC(=O)OCc1ccc(N)[nH+]c1 ZINC000922774010 644090797 /nfs/dbraw/zinc/09/07/97/644090797.db2.gz RNOMEZCDLPQXQP-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922774200 644090961 /nfs/dbraw/zinc/09/09/61/644090961.db2.gz XIEZMRLBFOXDED-RYUDHWBXSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CC[C@H](C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000922844255 644117644 /nfs/dbraw/zinc/11/76/44/644117644.db2.gz ARTYXSSHIQYHNV-XYPYZODXSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@@H](CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922923829 644190086 /nfs/dbraw/zinc/19/00/86/644190086.db2.gz FXJFUWNIPQTHBM-LLVKDONJSA-N 1 2 236.315 2.533 20 0 BFADLO C=Cn1cc(CNc2ccc([NH+](C)C)cc2)cn1 ZINC000194345074 644314867 /nfs/dbraw/zinc/31/48/67/644314867.db2.gz IQRGOGOQEYACEO-UHFFFAOYSA-N 1 2 242.326 2.662 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)c(C)c2)no1 ZINC000838875420 644547252 /nfs/dbraw/zinc/54/72/52/644547252.db2.gz WMAMCAPIFOYLBI-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO c1csc([C@H]2C[N@H+](Cc3ccoc3)CCO2)c1 ZINC000092594676 644661793 /nfs/dbraw/zinc/66/17/93/644661793.db2.gz NGQOVPNUGFZOPW-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO c1csc([C@H]2C[N@@H+](Cc3ccoc3)CCO2)c1 ZINC000092594676 644661798 /nfs/dbraw/zinc/66/17/98/644661798.db2.gz NGQOVPNUGFZOPW-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)ncc1F)c1ccccn1 ZINC000809424876 644889860 /nfs/dbraw/zinc/88/98/60/644889860.db2.gz OWNZQMVLFNEODU-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CCOC[C@H]([NH2+]CC(F)(F)C(F)F)C(C)C ZINC000304617243 644920498 /nfs/dbraw/zinc/92/04/98/644920498.db2.gz XLJZUPQFQWBKMW-QMMMGPOBSA-N 1 2 245.260 2.538 20 0 BFADLO CC/C(C)=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458790 644983657 /nfs/dbraw/zinc/98/36/57/644983657.db2.gz KXGCCIQABWHLGT-UXBLZVDNSA-N 1 2 232.327 2.671 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ncco1 ZINC000926587381 645293139 /nfs/dbraw/zinc/29/31/39/645293139.db2.gz LKAZZIZJAIUVTH-OPRDCNLKSA-N 1 2 212.268 2.606 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C)c2nonc2C)c1 ZINC000926655632 645340588 /nfs/dbraw/zinc/34/05/88/645340588.db2.gz NMZJGAVJYAEEHE-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000926695388 645363204 /nfs/dbraw/zinc/36/32/04/645363204.db2.gz CYQQBUNAPIUOEU-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@@H](N[C@@H](C)c1cn2c([nH+]1)CCCC2)C(F)F ZINC000926867281 645463405 /nfs/dbraw/zinc/46/34/05/645463405.db2.gz UYEUTBDBAPJOLP-DTWKUNHWSA-N 1 2 243.301 2.524 20 0 BFADLO CCSc1ccccc1C[NH+]1CCOCC1 ZINC000929124334 645957661 /nfs/dbraw/zinc/95/76/61/645957661.db2.gz JPKYAFCPRLZPHZ-UHFFFAOYSA-N 1 2 237.368 2.631 20 0 BFADLO CC(C)c1nsc(C[NH+]2C3CCC2CC3)n1 ZINC000929248252 646032757 /nfs/dbraw/zinc/03/27/57/646032757.db2.gz QNNBFUGNUPIHGS-UHFFFAOYSA-N 1 2 237.372 2.788 20 0 BFADLO CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000929583580 646185370 /nfs/dbraw/zinc/18/53/70/646185370.db2.gz LFZBKOKMNCYLFF-RISCZKNCSA-N 1 2 247.338 2.590 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)on1 ZINC000925128686 646190726 /nfs/dbraw/zinc/19/07/26/646190726.db2.gz DCSGEHOPHAYTTJ-QMMMGPOBSA-N 1 2 249.314 2.693 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1nonc1C)c1ccncc1 ZINC000925131532 646192716 /nfs/dbraw/zinc/19/27/16/646192716.db2.gz TZYNHLVCBKIMNH-BXKDBHETSA-N 1 2 246.314 2.575 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CCC[C@@H]2C)n1 ZINC000929756434 646289419 /nfs/dbraw/zinc/28/94/19/646289419.db2.gz YROLSYSTGQYHEP-VIFPVBQESA-N 1 2 225.361 2.646 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CCC[C@@H]2C)n1 ZINC000929756434 646289421 /nfs/dbraw/zinc/28/94/21/646289421.db2.gz YROLSYSTGQYHEP-VIFPVBQESA-N 1 2 225.361 2.646 20 0 BFADLO Cc1nonc1[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000926026121 646561577 /nfs/dbraw/zinc/56/15/77/646561577.db2.gz IOZZZHCKQBPCRU-SECBINFHSA-N 1 2 246.314 2.617 20 0 BFADLO CC[C@@H](CO)[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926232716 646601206 /nfs/dbraw/zinc/60/12/06/646601206.db2.gz PPTQEGVXGYPBFU-JQWIXIFHSA-N 1 2 243.297 2.527 20 0 BFADLO CO[C@H](C)C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926242498 646602610 /nfs/dbraw/zinc/60/26/10/646602610.db2.gz BLQQSNKSOWCZCC-GHMZBOCLSA-N 1 2 243.297 2.791 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000926368810 646627959 /nfs/dbraw/zinc/62/79/59/646627959.db2.gz FFQQBFAFVMUZDC-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@@H]([NH2+][C@H]1CC12CCCC2)C(=O)OC(C)(C)C ZINC000387324791 711787802 /nfs/dbraw/zinc/78/78/02/711787802.db2.gz RKAOPZQTZBWALW-MNOVXSKESA-N 1 2 239.359 2.639 20 0 BFADLO Fc1cc(F)c(C[NH2+]CC2(F)CC2)c(F)c1 ZINC000382005734 710765598 /nfs/dbraw/zinc/76/55/98/710765598.db2.gz KXJZIKCVJMLTOX-UHFFFAOYSA-N 1 2 233.208 2.696 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)C(F)F)cc(C)c1O ZINC000389955080 711099566 /nfs/dbraw/zinc/09/95/66/711099566.db2.gz ZANKMDYAVMUXTA-SECBINFHSA-N 1 2 229.270 2.752 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cncs2)no1 ZINC000381489703 710644494 /nfs/dbraw/zinc/64/44/94/710644494.db2.gz WVVPQBSSMCGZFR-IUCAKERBSA-N 1 2 237.328 2.851 20 0 BFADLO Cn1c[nH+]cc1/C=C/c1nc2c(s1)CCC2 ZINC000901551762 710871837 /nfs/dbraw/zinc/87/18/37/710871837.db2.gz MWVDSAVKDJRKII-AATRIKPKSA-N 1 2 231.324 2.536 20 0 BFADLO Cc1cc(C)c(CNC(=O)OC2CCCC2)c[nH+]1 ZINC000397100672 711376388 /nfs/dbraw/zinc/37/63/88/711376388.db2.gz PEBBJZBIDNFCJH-UHFFFAOYSA-N 1 2 248.326 2.867 20 0 BFADLO c1ccc(N[C@H](C2CC2)[C@H]2CCCOC2)[nH+]c1 ZINC000723868279 711540460 /nfs/dbraw/zinc/54/04/60/711540460.db2.gz DWBMMPJBMNUILO-GXTWGEPZSA-N 1 2 232.327 2.699 20 0 BFADLO CCOc1ccc(C[N@H+](C)Cc2cccnc2)o1 ZINC000893418837 711720615 /nfs/dbraw/zinc/72/06/15/711720615.db2.gz NGINAZHDMWECKV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1ccc(C[N@@H+](C)Cc2cccnc2)o1 ZINC000893418837 711720616 /nfs/dbraw/zinc/72/06/16/711720616.db2.gz NGINAZHDMWECKV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Cc1cc(N2CC(C)(C)C2)nc(C2CCC2)[nH+]1 ZINC000893575561 711738812 /nfs/dbraw/zinc/73/88/12/711738812.db2.gz HQLYKBRESNLCRC-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1[nH]c(CNc2cccc(Cl)n2)[nH+]c1C ZINC000709056043 712207228 /nfs/dbraw/zinc/20/72/28/712207228.db2.gz BLDNZYZGTJQMBN-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1cn(C)cn1 ZINC000709918940 712232741 /nfs/dbraw/zinc/23/27/41/712232741.db2.gz JNYFSGJAHNNPAB-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO Cc1ccc(NCc2nccn2C2CC2)c(C)[nH+]1 ZINC000711726537 712322512 /nfs/dbraw/zinc/32/25/12/712322512.db2.gz PKXNNHUXVKOOII-UHFFFAOYSA-N 1 2 242.326 2.842 20 0 BFADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1ccns1 ZINC000716049396 712548336 /nfs/dbraw/zinc/54/83/36/712548336.db2.gz VYRUKRUEUAMZCD-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccns2)cs1 ZINC000715995112 712551394 /nfs/dbraw/zinc/55/13/94/712551394.db2.gz BFQIHLZSQGLEAS-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1[nH]nc(CNc2ccc3c([nH+]2)CCC3)c1C ZINC000716458631 712562362 /nfs/dbraw/zinc/56/23/62/712562362.db2.gz HVDNEZGFIVQMPD-UHFFFAOYSA-N 1 2 242.326 2.522 20 0 BFADLO Cc1coc(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000718133366 712747065 /nfs/dbraw/zinc/74/70/65/712747065.db2.gz SZXFLHUFKBVPNN-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO COc1ccc[nH+]c1NCC1(C)CC(F)(F)C1 ZINC000720985580 712885714 /nfs/dbraw/zinc/88/57/14/712885714.db2.gz BIIKJMHDJWHZQX-UHFFFAOYSA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[NH2+]C[C@H]1C ZINC001218418461 960077711 /nfs/dbraw/zinc/07/77/11/960077711.db2.gz ZLAPSAKFOVNEGB-ZWNOBZJWSA-N 1 2 237.368 2.661 20 0 BFADLO CC(F)(F)CNc1[nH+]cccc1[Si](C)(C)C ZINC001162228796 964883501 /nfs/dbraw/zinc/88/35/01/964883501.db2.gz XFENKODYRTWKMC-UHFFFAOYSA-N 1 2 244.361 2.694 20 0 BFADLO Cc1sccc1C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001237964877 966704717 /nfs/dbraw/zinc/70/47/17/966704717.db2.gz PNQPOAWYWNNXRY-NSHDSACASA-N 1 2 241.331 2.560 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001237964877 966704729 /nfs/dbraw/zinc/70/47/29/966704729.db2.gz PNQPOAWYWNNXRY-NSHDSACASA-N 1 2 241.331 2.560 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000295087481 967124797 /nfs/dbraw/zinc/12/47/97/967124797.db2.gz FOHKENQCJNLBMA-BETUJISGSA-N 1 2 225.282 2.795 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC000295087481 967124802 /nfs/dbraw/zinc/12/48/02/967124802.db2.gz FOHKENQCJNLBMA-BETUJISGSA-N 1 2 225.282 2.795 20 0 BFADLO CC(C)OCCCNc1c[nH+]c2c(c1)CCC2 ZINC001168681113 967293707 /nfs/dbraw/zinc/29/37/07/967293707.db2.gz LKAHZUGCUOVZJR-UHFFFAOYSA-N 1 2 234.343 2.797 20 0 BFADLO Cc1c(Cl)cccc1C[N@H+]1CCOC[C@H]1C ZINC001205551391 967691019 /nfs/dbraw/zinc/69/10/19/967691019.db2.gz UCHVDACXRYUNAR-SNVBAGLBSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1C ZINC001205551391 967691030 /nfs/dbraw/zinc/69/10/30/967691030.db2.gz UCHVDACXRYUNAR-SNVBAGLBSA-N 1 2 239.746 2.869 20 0 BFADLO CSCCc1[nH]c2ccc(F)c(C)c2[nH+]1 ZINC001250426635 967842746 /nfs/dbraw/zinc/84/27/46/967842746.db2.gz ORCPNRZMQVGWNV-UHFFFAOYSA-N 1 2 224.304 2.916 20 0 BFADLO Cc1nc(NCC2CCC=CCC2)cc[nH+]1 ZINC001164195699 968189127 /nfs/dbraw/zinc/18/91/27/968189127.db2.gz MHXDKDHETLIXPP-UHFFFAOYSA-N 1 2 217.316 2.943 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)no1 ZINC001206816048 968485898 /nfs/dbraw/zinc/48/58/98/968485898.db2.gz ACWRRQHIJBHTPX-SNVBAGLBSA-N 1 2 248.248 2.552 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)no1 ZINC001206816048 968485903 /nfs/dbraw/zinc/48/59/03/968485903.db2.gz ACWRRQHIJBHTPX-SNVBAGLBSA-N 1 2 248.248 2.552 20 0 BFADLO CCCC[C@@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252077851 968494682 /nfs/dbraw/zinc/49/46/82/968494682.db2.gz WJVZYYVKWOGTIP-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO CCCC[C@@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252077851 968494685 /nfs/dbraw/zinc/49/46/85/968494685.db2.gz WJVZYYVKWOGTIP-LLVKDONJSA-N 1 2 235.318 2.659 20 0 BFADLO Cc1ncsc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001206863309 968506809 /nfs/dbraw/zinc/50/68/09/968506809.db2.gz NKPQMNUDUFKSJU-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001206863309 968506817 /nfs/dbraw/zinc/50/68/17/968506817.db2.gz NKPQMNUDUFKSJU-WDEREUQCSA-N 1 2 246.326 2.724 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@@H+]1CCc1cccs1 ZINC001209222009 969408502 /nfs/dbraw/zinc/40/85/02/969408502.db2.gz GIVGBMAJHPNDCP-UWVGGRQHSA-N 1 2 231.311 2.673 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@H+]1CCc1cccs1 ZINC001209222009 969408508 /nfs/dbraw/zinc/40/85/08/969408508.db2.gz GIVGBMAJHPNDCP-UWVGGRQHSA-N 1 2 231.311 2.673 20 0 BFADLO CCCc1nnc([C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001253983077 969440764 /nfs/dbraw/zinc/44/07/64/969440764.db2.gz OOEXNANXRMCJGD-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CCCc1nnc([C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001253983077 969440771 /nfs/dbraw/zinc/44/07/71/969440771.db2.gz OOEXNANXRMCJGD-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CCn1nccc1Nc1c[nH+]cc(C)c1C ZINC001213523280 970344101 /nfs/dbraw/zinc/34/41/01/970344101.db2.gz PLELOUZZKHQXNW-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCc1coc(C[NH2+][C@@H](C)CC(F)(F)F)n1 ZINC001255632677 970405137 /nfs/dbraw/zinc/40/51/37/970405137.db2.gz KSFZXYZHVNORID-ZETCQYMHSA-N 1 2 236.237 2.668 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(F)c2)c(C)c1 ZINC001174288755 976451051 /nfs/dbraw/zinc/45/10/51/976451051.db2.gz CRZNMNMHDUSNOA-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc[nH+]c1Nc1cccc(O)c1 ZINC001174886708 977114884 /nfs/dbraw/zinc/11/48/84/977114884.db2.gz ARBNSODYTFCSOF-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO CC1(C)C[NH+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231730442 977721663 /nfs/dbraw/zinc/72/16/63/977721663.db2.gz AVQDUIODKSSGAN-UHFFFAOYSA-N 1 2 225.719 2.887 20 0 BFADLO FC(F)c1cc(C[NH+]2CCSCC2)ccn1 ZINC001231890499 977781803 /nfs/dbraw/zinc/78/18/03/977781803.db2.gz OGARAHKZINGTMT-UHFFFAOYSA-N 1 2 244.310 2.568 20 0 BFADLO CCc1ccc(N2CC=C(C)CC2)[nH+]c1 ZINC001336573854 977784462 /nfs/dbraw/zinc/78/44/62/977784462.db2.gz FIKAQAUZJSHQHU-UHFFFAOYSA-N 1 2 202.301 2.800 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccncc2F)n1C ZINC001337777875 978494029 /nfs/dbraw/zinc/49/40/29/978494029.db2.gz AMAKKSOTPXCWMC-UHFFFAOYSA-N 1 2 219.263 2.745 20 0 BFADLO CCc1cccc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC001235259309 979011192 /nfs/dbraw/zinc/01/11/92/979011192.db2.gz WXFGGWSHFOOTKZ-LLVKDONJSA-N 1 2 222.307 2.578 20 0 BFADLO CCc1cccc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC001235259309 979011199 /nfs/dbraw/zinc/01/11/99/979011199.db2.gz WXFGGWSHFOOTKZ-LLVKDONJSA-N 1 2 222.307 2.578 20 0 BFADLO Cc1cc(-c2cc(O)cc(Cl)c2)c[nH+]c1N ZINC001235906953 979204999 /nfs/dbraw/zinc/20/49/99/979204999.db2.gz RJKCUGHYRCFJLD-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Fc1ccnc(Cl)c1C[N@@H+]1CCC2(CC2)C1 ZINC001238225559 980228564 /nfs/dbraw/zinc/22/85/64/980228564.db2.gz SYTNMXQKFDPKLK-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1ccnc(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001238225559 980228573 /nfs/dbraw/zinc/22/85/73/980228573.db2.gz SYTNMXQKFDPKLK-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO CC(C)Oc1cc(C[N@@H+]2CC[C@@H]2C)cnc1F ZINC001238605483 980296370 /nfs/dbraw/zinc/29/63/70/980296370.db2.gz JVBIEGJOEHGSAV-JTQLQIEISA-N 1 2 238.306 2.602 20 0 BFADLO CC(C)Oc1cc(C[N@H+]2CC[C@@H]2C)cnc1F ZINC001238605483 980296390 /nfs/dbraw/zinc/29/63/90/980296390.db2.gz JVBIEGJOEHGSAV-JTQLQIEISA-N 1 2 238.306 2.602 20 0 BFADLO CCCC[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001346746519 980898245 /nfs/dbraw/zinc/89/82/45/980898245.db2.gz DWXDUFLKWGGLFN-LLVKDONJSA-N 1 2 238.331 2.773 20 0 BFADLO CCO[C@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001347946616 981224575 /nfs/dbraw/zinc/22/45/75/981224575.db2.gz XUYAHWRURFWKFR-LBPRGKRZSA-N 1 2 238.306 2.534 20 0 BFADLO CCC(=CC(=O)OCc1c[nH+]cn1CC)CC ZINC001347973769 981230653 /nfs/dbraw/zinc/23/06/53/981230653.db2.gz WSGUFLYSDPLWML-UHFFFAOYSA-N 1 2 236.315 2.693 20 0 BFADLO CCc1cnc(C[N@@H+]2CC(C)(C)C2(C)C)o1 ZINC000079496470 981837018 /nfs/dbraw/zinc/83/70/18/981837018.db2.gz RJOGHLAYZIUSPJ-UHFFFAOYSA-N 1 2 222.332 2.857 20 0 BFADLO CCc1cnc(C[N@H+]2CC(C)(C)C2(C)C)o1 ZINC000079496470 981837022 /nfs/dbraw/zinc/83/70/22/981837022.db2.gz RJOGHLAYZIUSPJ-UHFFFAOYSA-N 1 2 222.332 2.857 20 0 BFADLO CCOc1cc(-c2c[nH+]cn2C)ccc1F ZINC001241069347 982188406 /nfs/dbraw/zinc/18/84/06/982188406.db2.gz MDCYZZIXUCXLJO-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO Nc1ccc(Nc2ncc(Cl)cc2F)c[nH+]1 ZINC001201272756 983171875 /nfs/dbraw/zinc/17/18/75/983171875.db2.gz URHLCYLXLNURNS-UHFFFAOYSA-N 1 2 238.653 2.595 20 0 BFADLO Cc1csc(Nc2ccc(N)[nH+]c2)c1 ZINC001201275689 983175362 /nfs/dbraw/zinc/17/53/62/983175362.db2.gz IMPDYUCRMPUBKD-UHFFFAOYSA-N 1 2 205.286 2.777 20 0 BFADLO Cc1cc(-c2ccc(C)c(N)[nH+]2)cc(C)n1 ZINC001241991388 983182126 /nfs/dbraw/zinc/18/21/26/983182126.db2.gz WFPHCQFJDRGODB-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO CCCC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252082374 983401122 /nfs/dbraw/zinc/40/11/22/983401122.db2.gz HIOUQIYYFGHNTN-MNOVXSKESA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[C@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252082374 983401124 /nfs/dbraw/zinc/40/11/24/983401124.db2.gz HIOUQIYYFGHNTN-MNOVXSKESA-N 1 2 235.318 2.515 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C(C)C)C2)c1C ZINC001331550904 974759725 /nfs/dbraw/zinc/75/97/25/974759725.db2.gz WFQVHGDEYRHHRI-CYBMUJFWSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1C ZINC001331550904 974759728 /nfs/dbraw/zinc/75/97/28/974759728.db2.gz WFQVHGDEYRHHRI-CYBMUJFWSA-N 1 2 235.375 2.895 20 0 BFADLO CC(C)OCC[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172441165 974798055 /nfs/dbraw/zinc/79/80/55/974798055.db2.gz TZNQEOZJHDWZHU-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172441165 974798058 /nfs/dbraw/zinc/79/80/58/974798058.db2.gz TZNQEOZJHDWZHU-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172441166 974798878 /nfs/dbraw/zinc/79/88/78/974798878.db2.gz TZNQEOZJHDWZHU-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172441166 974798881 /nfs/dbraw/zinc/79/88/81/974798881.db2.gz TZNQEOZJHDWZHU-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO C[C@H]1CC(OCc2c[nH+]cn2C)C[C@H](C)C1 ZINC001222594284 972590945 /nfs/dbraw/zinc/59/09/45/972590945.db2.gz DIEUYTANSJIFQD-GHMZBOCLSA-N 1 2 222.332 2.761 20 0 BFADLO CC[C@H]1CCCC[C@H]1OCc1c[nH+]cn1C ZINC001222595010 972592160 /nfs/dbraw/zinc/59/21/60/972592160.db2.gz LPILHPUDJCBDLY-WCQYABFASA-N 1 2 222.332 2.906 20 0 BFADLO C[C@@H]1CCCC[C@H]1OCc1c[nH+]cn1C ZINC001222595247 972593063 /nfs/dbraw/zinc/59/30/63/972593063.db2.gz UXRWCEZCEQQTBO-ZYHUDNBSSA-N 1 2 208.305 2.515 20 0 BFADLO C[N@@H+](Cc1c(F)cc(O)cc1F)CC1CCC1 ZINC001144554798 972867053 /nfs/dbraw/zinc/86/70/53/972867053.db2.gz HWVYTGBHVGPFNL-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO C[N@H+](Cc1c(F)cc(O)cc1F)CC1CCC1 ZINC001144554798 972867054 /nfs/dbraw/zinc/86/70/54/972867054.db2.gz HWVYTGBHVGPFNL-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)cc(C)c1F ZINC001243476287 970775365 /nfs/dbraw/zinc/77/53/65/970775365.db2.gz AATNAXHHIOIUFH-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO CC(C)CC[C@@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001256368716 970777598 /nfs/dbraw/zinc/77/75/98/970777598.db2.gz CRWAWIIBMGYJFV-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001256368716 970777608 /nfs/dbraw/zinc/77/76/08/970777608.db2.gz CRWAWIIBMGYJFV-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO Oc1c(F)cc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001243502791 970778845 /nfs/dbraw/zinc/77/88/45/970778845.db2.gz AEYQTRNMKZUWMQ-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CCc1cc(Nc2[nH+]cc(O)cc2C)ccc1N ZINC001216037095 970908625 /nfs/dbraw/zinc/90/86/25/970908625.db2.gz UUMKPCIWKCZGRS-UHFFFAOYSA-N 1 2 243.310 2.984 20 0 BFADLO Cc1cc(Nc2[nH+]cc(O)cc2C)cc(O)c1F ZINC001216077354 970923540 /nfs/dbraw/zinc/92/35/40/970923540.db2.gz GWANMXVTTCVDLW-UHFFFAOYSA-N 1 2 248.257 2.992 20 0 BFADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3F)CCC1=O ZINC001256685961 970920883 /nfs/dbraw/zinc/92/08/83/970920883.db2.gz QFOSYDBIBAQYNP-QMTHXVAHSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3F)CCC1=O ZINC001256685961 970920892 /nfs/dbraw/zinc/92/08/92/970920892.db2.gz QFOSYDBIBAQYNP-QMTHXVAHSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[C@H]1c1nnc([C@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256692039 970924302 /nfs/dbraw/zinc/92/43/02/970924302.db2.gz POPGYHMKETWFOZ-OPRDCNLKSA-N 1 2 235.331 2.738 20 0 BFADLO C[C@@H]1C[C@H]1c1nnc([C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256692039 970924318 /nfs/dbraw/zinc/92/43/18/970924318.db2.gz POPGYHMKETWFOZ-OPRDCNLKSA-N 1 2 235.331 2.738 20 0 BFADLO C[C@@H]1C[C@@H]1c1nnc([C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256692040 970925082 /nfs/dbraw/zinc/92/50/82/970925082.db2.gz POPGYHMKETWFOZ-UTLUCORTSA-N 1 2 235.331 2.738 20 0 BFADLO C[C@@H]1C[C@@H]1c1nnc([C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256692040 970925090 /nfs/dbraw/zinc/92/50/90/970925090.db2.gz POPGYHMKETWFOZ-UTLUCORTSA-N 1 2 235.331 2.738 20 0 BFADLO COc1cc(Nc2cccc(C)[nH+]2)ccc1CO ZINC001216108883 970942507 /nfs/dbraw/zinc/94/25/07/970942507.db2.gz LVPZPRHPFJBYEI-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO Cc1c(F)cncc1Nc1ccc(N(C)C)[nH+]c1 ZINC001216190245 970971398 /nfs/dbraw/zinc/97/13/98/970971398.db2.gz IGXMHTGRPFUSGD-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO Cc1c(F)cncc1Nc1ccn2cc[nH+]c2c1 ZINC001216191822 970972560 /nfs/dbraw/zinc/97/25/60/970972560.db2.gz HGZAKCWYKGZLJR-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CCOC(=O)C1([NH2+]C2CCC(CC)CC2)CC1 ZINC001256866507 970997879 /nfs/dbraw/zinc/99/78/79/970997879.db2.gz YIOXRMQTDHJFGH-UHFFFAOYSA-N 1 2 239.359 2.641 20 0 BFADLO CCc1cccc(Nc2ccc(OC)c(N)c2)[nH+]1 ZINC001216254942 971003488 /nfs/dbraw/zinc/00/34/88/971003488.db2.gz HSLSGGWPXROAKQ-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO Sc1ccccc1/C=C/C1CC[NH2+]CC1 ZINC001243891879 971016400 /nfs/dbraw/zinc/01/64/00/971016400.db2.gz DLJUVVRLDRMNLV-AATRIKPKSA-N 1 2 219.353 2.988 20 0 BFADLO CN(c1cccc(Cl)c1N)c1[nH+]cccc1N ZINC001216523930 971117247 /nfs/dbraw/zinc/11/72/47/971117247.db2.gz DTNIAUCOFDMVGC-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000809652652 971273783 /nfs/dbraw/zinc/27/37/83/971273783.db2.gz KBIRIEVIULCKBB-LOWVWBTDSA-N 1 2 239.359 2.639 20 0 BFADLO CCCCCC[C@H](C)[NH2+]CC(=O)OCCC ZINC001257359795 971274693 /nfs/dbraw/zinc/27/46/93/971274693.db2.gz WMLUGWOJHOMNDH-LBPRGKRZSA-N 1 2 229.364 2.888 20 0 BFADLO C[C@H]1C[C@@H](Nc2cc(N)nc[nH+]2)c2ccccc21 ZINC001158475095 971283907 /nfs/dbraw/zinc/28/39/07/971283907.db2.gz XASBRYPYZMUNSG-JOYOIKCWSA-N 1 2 240.310 2.719 20 0 BFADLO CCCC[C@H](CC)[NH2+]C1(C(=O)OCC)CC1 ZINC001257410926 971306570 /nfs/dbraw/zinc/30/65/70/971306570.db2.gz OAFXKWRMAVOKJB-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001257480417 971404619 /nfs/dbraw/zinc/40/46/19/971404619.db2.gz DSPNHHNOUOJWNJ-NEPJUHHUSA-N 1 2 211.349 2.866 20 0 BFADLO CCC[C@@H](C)CC[C@H](C)[N@H+]1CCC(=O)C1 ZINC001257480417 971404625 /nfs/dbraw/zinc/40/46/25/971404625.db2.gz DSPNHHNOUOJWNJ-NEPJUHHUSA-N 1 2 211.349 2.866 20 0 BFADLO C1CCC(c2nnc([C@@H]3CC4CC[NH+]3CC4)o2)C1 ZINC001257489601 971414327 /nfs/dbraw/zinc/41/43/27/971414327.db2.gz KZCOVTCRGGAOAZ-LBPRGKRZSA-N 1 2 247.342 2.884 20 0 BFADLO CC1CCC(CO[C@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001217856837 971448144 /nfs/dbraw/zinc/44/81/44/971448144.db2.gz RGTGPQWOKVQNGH-HTAVTVPLSA-N 1 2 247.329 2.827 20 0 BFADLO CC(C)(C)Cc1nnc([C@@H]2CC3CC[NH+]2CC3)o1 ZINC001257831176 971497691 /nfs/dbraw/zinc/49/76/91/971497691.db2.gz XVFROBKTOZHDHR-NSHDSACASA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(COC2CCC(O)CC2)cc(C)[nH+]1 ZINC001217901305 971506877 /nfs/dbraw/zinc/50/68/77/971506877.db2.gz YYBCCLMOBNZVKA-UHFFFAOYSA-N 1 2 235.327 2.519 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccccc1S ZINC001217988402 971563358 /nfs/dbraw/zinc/56/33/58/971563358.db2.gz PWKHVDAYDXLWTJ-GHMZBOCLSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1cccc(C)c1O[C@H]1CC[NH2+]CC1(F)F ZINC001218007889 971568821 /nfs/dbraw/zinc/56/88/21/971568821.db2.gz RYIPCFMQBLMSSE-NSHDSACASA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cc(F)cc(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218007806 971569798 /nfs/dbraw/zinc/56/97/98/971569798.db2.gz UZWCGPMBLMPRRR-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccccc1S ZINC001218028625 971577797 /nfs/dbraw/zinc/57/77/97/971577797.db2.gz VOAVEOMVGWOJRD-GHMZBOCLSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1C ZINC001218270951 971669935 /nfs/dbraw/zinc/66/99/35/971669935.db2.gz GNDBMLLLPOTSNH-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1ccc(C)c(O[C@@H]2C[NH2+]CC(F)(F)C2)c1 ZINC001218274913 971670513 /nfs/dbraw/zinc/67/05/13/971670513.db2.gz YUDCVGNKGFAQGX-NSHDSACASA-N 1 2 241.281 2.679 20 0 BFADLO COc1cc[nH+]cc1N[C@@H](C)c1cccc(N)c1 ZINC001170734867 971677810 /nfs/dbraw/zinc/67/78/10/971677810.db2.gz YOCCYJJXBDXCQL-JTQLQIEISA-N 1 2 243.310 2.846 20 0 BFADLO CC[C@@H](Oc1cc(N)cc[nH+]1)C(C)(C)C ZINC001218292997 971688757 /nfs/dbraw/zinc/68/87/57/971688757.db2.gz CHFUPWMYZAAKEV-SNVBAGLBSA-N 1 2 208.305 2.867 20 0 BFADLO CC[C@H](Oc1cc(N)cc[nH+]1)C(C)(C)C ZINC001218292996 971689549 /nfs/dbraw/zinc/68/95/49/971689549.db2.gz CHFUPWMYZAAKEV-JTQLQIEISA-N 1 2 208.305 2.867 20 0 BFADLO CC(C)C(Oc1cc(N)cc[nH+]1)C(C)C ZINC001218294054 971692950 /nfs/dbraw/zinc/69/29/50/971692950.db2.gz GUKIEYMXIFKBHJ-UHFFFAOYSA-N 1 2 208.305 2.723 20 0 BFADLO CC(C)CC[C@H](C)Oc1cc(N)cc[nH+]1 ZINC001218294303 971693395 /nfs/dbraw/zinc/69/33/95/971693395.db2.gz KKZTUWABIWVUPQ-JTQLQIEISA-N 1 2 208.305 2.867 20 0 BFADLO C[C@@H]1CCC[C@H](Oc2ccc[nH+]c2N)[C@H]1C ZINC001218352566 971720748 /nfs/dbraw/zinc/72/07/48/971720748.db2.gz IKXIMQGGDCCIKN-VWYCJHECSA-N 1 2 220.316 2.867 20 0 BFADLO C[C@@H]1CCC[C@@H](Oc2ccc[nH+]c2N)[C@@H]1C ZINC001218352562 971721688 /nfs/dbraw/zinc/72/16/88/971721688.db2.gz IKXIMQGGDCCIKN-GMTAPVOTSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1cc(-c2ccc3occc3n2)c[nH+]c1N ZINC001245535688 971850078 /nfs/dbraw/zinc/85/00/78/971850078.db2.gz NCVOWRPTHFLDTH-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CCC=CNc1cc[nH+]c(N2CCCCC2)n1 ZINC001159669398 972012521 /nfs/dbraw/zinc/01/25/21/972012521.db2.gz UEOMBMKPCTVUKK-FPYGCLRLSA-N 1 2 232.331 2.803 20 0 BFADLO C[C@@H](C[N@@H+]1CCC[C@@H](F)C(=O)C1)c1ccccc1 ZINC001207899486 956878682 /nfs/dbraw/zinc/87/86/82/956878682.db2.gz BZLUYJHYOKLZOQ-GXTWGEPZSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@@H](C[N@H+]1CCC[C@@H](F)C(=O)C1)c1ccccc1 ZINC001207899486 956878691 /nfs/dbraw/zinc/87/86/91/956878691.db2.gz BZLUYJHYOKLZOQ-GXTWGEPZSA-N 1 2 249.329 2.793 20 0 BFADLO Cc1cc(C)c(-n2cc(N)c3ncccc32)c[nH+]1 ZINC001213507673 957026211 /nfs/dbraw/zinc/02/62/11/957026211.db2.gz AVTVAOZKCIQPOB-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Cc1cnc(F)c(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001211493766 957046359 /nfs/dbraw/zinc/04/63/59/957046359.db2.gz MGRXKPQGVVWDMU-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO CC1(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CCCCC1 ZINC001208901550 957231373 /nfs/dbraw/zinc/23/13/73/957231373.db2.gz ARFWLPKSPIKKKD-LLVKDONJSA-N 1 2 247.329 2.659 20 0 BFADLO CC1(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CCCCC1 ZINC001208901550 957231394 /nfs/dbraw/zinc/23/13/94/957231394.db2.gz ARFWLPKSPIKKKD-LLVKDONJSA-N 1 2 247.329 2.659 20 0 BFADLO Cc1c(Nc2[nH+]cccc2N)ccc(F)c1F ZINC001210128830 957645510 /nfs/dbraw/zinc/64/55/10/957645510.db2.gz ALSJKSSJBZETGB-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CC(C)n1ccc(Nc2ccn3cc[nH+]c3c2)n1 ZINC001210344565 957725743 /nfs/dbraw/zinc/72/57/43/957725743.db2.gz LUSWIFCCVXGKSU-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO CCc1ncccc1Nc1cc(OC)cc[nH+]1 ZINC001210463770 957755596 /nfs/dbraw/zinc/75/55/96/957755596.db2.gz PAANJUQJBVTMKC-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO C[C@H]1CCCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207048492 957845797 /nfs/dbraw/zinc/84/57/97/957845797.db2.gz RCRXWXYMORBFGB-LBPRGKRZSA-N 1 2 229.327 2.566 20 0 BFADLO c1ccc2sc(C[NH+]3CCC3)nc2c1 ZINC001136947408 972300661 /nfs/dbraw/zinc/30/06/61/972300661.db2.gz GJAOLDNCGWCFGD-UHFFFAOYSA-N 1 2 204.298 2.502 20 0 BFADLO COc1cc[nH+]c(Nc2c[nH]c3ncccc23)c1 ZINC001210938949 957948214 /nfs/dbraw/zinc/94/82/14/957948214.db2.gz QZQOVVICEXXWLM-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1occc1Nc1cccn2cc[nH+]c12 ZINC001211238217 958093352 /nfs/dbraw/zinc/09/33/52/958093352.db2.gz YIBMCXGFCLODAM-UHFFFAOYSA-N 1 2 213.240 2.979 20 0 BFADLO C[N@H+](Cc1ncc(C(F)(F)F)[nH]1)C1CCCC1 ZINC001137016474 972326593 /nfs/dbraw/zinc/32/65/93/972326593.db2.gz YSLPPVCVBHBVLY-UHFFFAOYSA-N 1 2 247.264 2.803 20 0 BFADLO Cc1c[nH+]cc(Nc2ccsc2C(N)=O)c1C ZINC001213522534 958197647 /nfs/dbraw/zinc/19/76/47/958197647.db2.gz BYFBZRNWKRKMRO-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO CCCC[C@@H](CC(C)C)N[C@H]1C[NH2+]CC1(F)F ZINC001246458969 972332930 /nfs/dbraw/zinc/33/29/30/972332930.db2.gz IFBSWUGMOQCFEJ-RYUDHWBXSA-N 1 2 248.361 2.788 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@H+](C)CCF ZINC001143774414 972362826 /nfs/dbraw/zinc/36/28/26/972362826.db2.gz DBQBJXDOUVKDKF-UHFFFAOYSA-N 1 2 217.234 2.675 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@@H+](C)CCF ZINC001143774414 972362829 /nfs/dbraw/zinc/36/28/29/972362829.db2.gz DBQBJXDOUVKDKF-UHFFFAOYSA-N 1 2 217.234 2.675 20 0 BFADLO COc1c(F)cc(C[NH+]2CC(C)C2)cc1Cl ZINC001143838693 972369995 /nfs/dbraw/zinc/36/99/95/972369995.db2.gz AERBAWHKZRVSNB-UHFFFAOYSA-N 1 2 243.709 2.939 20 0 BFADLO Cc1cccc2c1CC[C@H]2OCCn1cc[nH+]c1 ZINC001222129964 972376107 /nfs/dbraw/zinc/37/61/07/972376107.db2.gz VNWVTZBPYMCEQY-OAHLLOKOSA-N 1 2 242.322 2.896 20 0 BFADLO C[C@@H]1CC[C@@H](OCCn2cc[nH+]c2)C[C@@H]1C ZINC001222134507 972382473 /nfs/dbraw/zinc/38/24/73/972382473.db2.gz FNNAHMWTTIVRJC-FRRDWIJNSA-N 1 2 222.332 2.724 20 0 BFADLO c1cn(CCO[C@@H]2CCC=CCCC2)c[nH+]1 ZINC001222134172 972382636 /nfs/dbraw/zinc/38/26/36/972382636.db2.gz AVEYCJZXJPGTFH-CYBMUJFWSA-N 1 2 220.316 2.789 20 0 BFADLO C[C@@H]1CCC[C@H](OCCn2cc[nH+]c2)[C@@H]1C ZINC001222138238 972382731 /nfs/dbraw/zinc/38/27/31/972382731.db2.gz BWZOYLXFEYFGOY-UPJWGTAASA-N 1 2 222.332 2.724 20 0 BFADLO COc1ccc(C[NH+]2CC(C)(C)C2)c(F)c1F ZINC001143902958 972387524 /nfs/dbraw/zinc/38/75/24/972387524.db2.gz PCHUCZCQVVRGEJ-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO Cc1c(Cl)ccnc1NCc1cc[nH+]c(N)c1 ZINC001167614162 959064483 /nfs/dbraw/zinc/06/44/83/959064483.db2.gz PABPVDWYYRYXRD-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CCOc1ccc(F)c(C[N@H+](C)CC)c1F ZINC001143929692 972399584 /nfs/dbraw/zinc/39/95/84/972399584.db2.gz WPZSPFXTCKWCAB-UHFFFAOYSA-N 1 2 229.270 2.815 20 0 BFADLO CCOc1ccc(F)c(C[N@@H+](C)CC)c1F ZINC001143929692 972399593 /nfs/dbraw/zinc/39/95/93/972399593.db2.gz WPZSPFXTCKWCAB-UHFFFAOYSA-N 1 2 229.270 2.815 20 0 BFADLO Nc1cc(CNc2cncc(C3CC3)c2)cc[nH+]1 ZINC001167617353 959083800 /nfs/dbraw/zinc/08/38/00/959083800.db2.gz ZXRGDIMEGYKXFR-UHFFFAOYSA-N 1 2 240.310 2.548 20 0 BFADLO Cc1cccc(Nc2ccc(N)[nH+]c2)c1F ZINC000300949418 959388148 /nfs/dbraw/zinc/38/81/48/959388148.db2.gz LIZQZLSPCDUZKR-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO CCC[N@H+](C/C=C\Cl)[C@@H](CC)C(=O)OCC ZINC000588588059 959470139 /nfs/dbraw/zinc/47/01/39/959470139.db2.gz LAHDMQSLUKGXOT-TVRMLOFPSA-N 1 2 247.766 2.793 20 0 BFADLO CCC[N@@H+](C/C=C\Cl)[C@@H](CC)C(=O)OCC ZINC000588588059 959470146 /nfs/dbraw/zinc/47/01/46/959470146.db2.gz LAHDMQSLUKGXOT-TVRMLOFPSA-N 1 2 247.766 2.793 20 0 BFADLO Cc1ccc(F)c(O[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005892 959826415 /nfs/dbraw/zinc/82/64/15/959826415.db2.gz NVHCSAGAIXEJAN-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO C[C@@H]1CCC[C@H](Oc2cc(N)cc[nH+]2)[C@H]1C ZINC001218352662 959988063 /nfs/dbraw/zinc/98/80/63/959988063.db2.gz JNJICRCBPVJZGV-SCVCMEIPSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1cccc2c(C)cc(N(C)C)[nH+]c12 ZINC000196346856 960389577 /nfs/dbraw/zinc/38/95/77/960389577.db2.gz XYKJZEJHTYJFMI-UHFFFAOYSA-N 1 2 200.285 2.918 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1cc[nH]c1)C2 ZINC001140708473 960518605 /nfs/dbraw/zinc/51/86/05/960518605.db2.gz AZNSDFXAQQNDEO-UHFFFAOYSA-N 1 2 228.295 2.539 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1cc[nH]c1)C2 ZINC001140708473 960518619 /nfs/dbraw/zinc/51/86/19/960518619.db2.gz AZNSDFXAQQNDEO-UHFFFAOYSA-N 1 2 228.295 2.539 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1cnccc1C(F)(F)F ZINC001140915230 960684224 /nfs/dbraw/zinc/68/42/24/960684224.db2.gz HXDVAVRSFPPMFC-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1cnccc1C(F)(F)F ZINC001140915230 960684232 /nfs/dbraw/zinc/68/42/32/960684232.db2.gz HXDVAVRSFPPMFC-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO CCCC[C@@H](CC)OCc1c[nH+]cn1C ZINC001222595048 960720272 /nfs/dbraw/zinc/72/02/72/960720272.db2.gz MNUMDKVLJLBVHT-GFCCVEGCSA-N 1 2 210.321 2.906 20 0 BFADLO Cc1nccnc1C[N@H+](Cc1ccco1)C1CC1 ZINC001140938289 960728202 /nfs/dbraw/zinc/72/82/02/960728202.db2.gz JCTYKGQUUKYWBR-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nccnc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001140938289 960728213 /nfs/dbraw/zinc/72/82/13/960728213.db2.gz JCTYKGQUUKYWBR-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC[N@@H+](Cc1ncco1)Cc1ccccc1 ZINC001141005922 960806034 /nfs/dbraw/zinc/80/60/34/960806034.db2.gz WEDROZWJPXYNCF-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO CC[N@H+](Cc1ncco1)Cc1ccccc1 ZINC001141005922 960806026 /nfs/dbraw/zinc/80/60/26/960806026.db2.gz WEDROZWJPXYNCF-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1ncc(Cl)nc1Cl ZINC001141131926 960880853 /nfs/dbraw/zinc/88/08/53/960880853.db2.gz PHTGZEWZPIQFGU-ZETCQYMHSA-N 1 2 246.141 2.768 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1ncc(Cl)nc1Cl ZINC001141131926 960880869 /nfs/dbraw/zinc/88/08/69/960880869.db2.gz PHTGZEWZPIQFGU-ZETCQYMHSA-N 1 2 246.141 2.768 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(C)cc1F ZINC001141196250 960919482 /nfs/dbraw/zinc/91/94/82/960919482.db2.gz NMUDDXBAOWUMNC-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1ccc(C)cc1F ZINC001141196250 960919495 /nfs/dbraw/zinc/91/94/95/960919495.db2.gz NMUDDXBAOWUMNC-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO COc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001141218303 960978953 /nfs/dbraw/zinc/97/89/53/960978953.db2.gz JPABZLSMMFACMT-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2C)c1F ZINC001141218303 960979002 /nfs/dbraw/zinc/97/90/02/960979002.db2.gz JPABZLSMMFACMT-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO CCCOCCNc1cc[nH+]c(OC(C)C)c1 ZINC001167873234 961390687 /nfs/dbraw/zinc/39/06/87/961390687.db2.gz HOPCLMGLRRMIAI-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO Cc1nc2c(s1)C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631550 961402876 /nfs/dbraw/zinc/40/28/76/961402876.db2.gz JDGZLIMXBXJHMF-QJPTWQEYSA-N 1 2 246.379 2.979 20 0 BFADLO Cc1nc2c(s1)C[N@@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207631550 961402895 /nfs/dbraw/zinc/40/28/95/961402895.db2.gz JDGZLIMXBXJHMF-QJPTWQEYSA-N 1 2 246.379 2.979 20 0 BFADLO CCN(CC)c1ccc(N[C@H]2CO[C@H](C)C2)c[nH+]1 ZINC000401947056 961689482 /nfs/dbraw/zinc/68/94/82/961689482.db2.gz JREPYYATUQTSKE-DGCLKSJQSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cn(C)cn1 ZINC001213490036 961695978 /nfs/dbraw/zinc/69/59/78/961695978.db2.gz YPLNRYQPRHDVNJ-UHFFFAOYSA-N 1 2 228.299 2.745 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1occc1Br ZINC001143116254 961885357 /nfs/dbraw/zinc/88/53/57/961885357.db2.gz CCIXVMOTWNYUNC-SSDOTTSWSA-N 1 2 230.105 2.636 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1occc1Br ZINC001143116254 961885359 /nfs/dbraw/zinc/88/53/59/961885359.db2.gz CCIXVMOTWNYUNC-SSDOTTSWSA-N 1 2 230.105 2.636 20 0 BFADLO c1ccc2c(c1)COC[C@@H]2Oc1cc[nH+]cc1 ZINC001225291794 962057826 /nfs/dbraw/zinc/05/78/26/962057826.db2.gz YPPGPWHMPQGERB-AWEZNQCLSA-N 1 2 227.263 2.732 20 0 BFADLO Clc1cncnc1Nc1ccn2cc[nH+]c2c1 ZINC001204951592 962160825 /nfs/dbraw/zinc/16/08/25/962160825.db2.gz WBNDKCYUPIAQGW-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2CF)sc1C ZINC000293175091 962204497 /nfs/dbraw/zinc/20/44/97/962204497.db2.gz VRCZZQRJXVLEHQ-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2CF)sc1C ZINC000293175091 962204530 /nfs/dbraw/zinc/20/45/30/962204530.db2.gz VRCZZQRJXVLEHQ-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO Clc1ccc2c(cc[nH+]c2NCC2COC2)c1 ZINC001154633768 962820404 /nfs/dbraw/zinc/82/04/04/962820404.db2.gz CQSGZDOTTUWXRF-UHFFFAOYSA-N 1 2 248.713 2.947 20 0 BFADLO COc1cc(C)c[nH+]c1NCc1cnc(C)s1 ZINC001154795291 962850955 /nfs/dbraw/zinc/85/09/55/962850955.db2.gz WMPPXIMCFPNFCK-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO CCN(CC)c1cc(NC(C)(C)C2CC2)[nH+]cn1 ZINC001155068770 962961045 /nfs/dbraw/zinc/96/10/45/962961045.db2.gz KROKOYDTOLLDQR-UHFFFAOYSA-N 1 2 248.374 2.923 20 0 BFADLO CCN(CC)c1cc(NC(C)(C)C2CC2)nc[nH+]1 ZINC001155068770 962961048 /nfs/dbraw/zinc/96/10/48/962961048.db2.gz KROKOYDTOLLDQR-UHFFFAOYSA-N 1 2 248.374 2.923 20 0 BFADLO CCOc1cc(F)c(C[N@@H+]2CC[C@@H]2C)c(F)c1 ZINC001143564686 962975414 /nfs/dbraw/zinc/97/54/14/962975414.db2.gz JDARIERJCZFFCL-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1cc(F)c(C[N@H+]2CC[C@@H]2C)c(F)c1 ZINC001143564686 962975423 /nfs/dbraw/zinc/97/54/23/962975423.db2.gz JDARIERJCZFFCL-VIFPVBQESA-N 1 2 241.281 2.958 20 0 BFADLO CC(C)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001161647387 963001853 /nfs/dbraw/zinc/00/18/53/963001853.db2.gz XVZPDJIVEXBKCZ-UHFFFAOYSA-N 1 2 215.300 2.940 20 0 BFADLO C[C@@H]1CN(c2cc3ccccc3c[nH+]2)[C@H](C)CO1 ZINC001155417978 963073782 /nfs/dbraw/zinc/07/37/82/963073782.db2.gz VHEZDWDEOBEBPF-VXGBXAGGSA-N 1 2 242.322 2.848 20 0 BFADLO COc1cc(C)c[nH+]c1NCc1ccccc1N ZINC001155984156 963224541 /nfs/dbraw/zinc/22/45/41/963224541.db2.gz KFTRZQUCWFTCEZ-UHFFFAOYSA-N 1 2 243.310 2.593 20 0 BFADLO CC[C@@H](C)Nc1nc(C2CC2)[nH+]c(C)c1OC ZINC001168000789 963225750 /nfs/dbraw/zinc/22/57/50/963225750.db2.gz WLLQYWJYUGPXBI-MRVPVSSYSA-N 1 2 235.331 2.881 20 0 BFADLO CC1(Nc2cc(N3CCCCC3)nc[nH+]2)CCC1 ZINC001156074160 963251699 /nfs/dbraw/zinc/25/16/99/963251699.db2.gz YPQIZKHLIKZTKY-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO CC1(Nc2cc(N3CCCCC3)[nH+]cn2)CCC1 ZINC001156074160 963251705 /nfs/dbraw/zinc/25/17/05/963251705.db2.gz YPQIZKHLIKZTKY-UHFFFAOYSA-N 1 2 246.358 2.821 20 0 BFADLO CSc1cc[nH+]c(NC[C@H]2CCCCO2)c1 ZINC001156378321 963324472 /nfs/dbraw/zinc/32/44/72/963324472.db2.gz WJYCQJZLKWXZOA-SNVBAGLBSA-N 1 2 238.356 2.785 20 0 BFADLO C[C@@H]1CN(c2cc(N)cc(Cl)[nH+]2)C2(CC2)C1 ZINC001156411753 963337901 /nfs/dbraw/zinc/33/79/01/963337901.db2.gz BBUXEAKNAZOIPX-QMMMGPOBSA-N 1 2 237.734 2.696 20 0 BFADLO Cc1cc(N)ccc1Nc1cccc2[nH+]ccn21 ZINC001214106391 963425841 /nfs/dbraw/zinc/42/58/41/963425841.db2.gz ZQYRDSHBAURHFU-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1cc(N2CC3CC(C3)C2)nc(C2CC2)[nH+]1 ZINC001156902245 963488998 /nfs/dbraw/zinc/48/89/98/963488998.db2.gz GNOCXNFUGKHOMV-UHFFFAOYSA-N 1 2 229.327 2.509 20 0 BFADLO CSc1cc[nH+]c(N2CC3CC(C3)C2)c1 ZINC001156903233 963489598 /nfs/dbraw/zinc/48/95/98/963489598.db2.gz XIYDOBDIXJZIMC-UHFFFAOYSA-N 1 2 220.341 2.650 20 0 BFADLO CC[C@@H](C)Nc1[nH+]cc(C)cc1C(OC)OC ZINC001157237872 963562719 /nfs/dbraw/zinc/56/27/19/963562719.db2.gz OCGSWOZCPNLRFE-SNVBAGLBSA-N 1 2 238.331 2.892 20 0 BFADLO CSc1ccc(C[N@H+](C)C2(C)COC2)s1 ZINC001142027959 963578349 /nfs/dbraw/zinc/57/83/49/963578349.db2.gz XHXJNRNOYLTHHL-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO CSc1ccc(C[N@@H+](C)C2(C)COC2)s1 ZINC001142027959 963578357 /nfs/dbraw/zinc/57/83/57/963578357.db2.gz XHXJNRNOYLTHHL-UHFFFAOYSA-N 1 2 243.397 2.691 20 0 BFADLO Cc1c(F)cc[nH+]c1NCCCOC(C)C ZINC001157870411 963752529 /nfs/dbraw/zinc/75/25/29/963752529.db2.gz KHCIYSOHYPZKTH-UHFFFAOYSA-N 1 2 226.295 2.756 20 0 BFADLO CO[C@H](C)CCOc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228328038 963758371 /nfs/dbraw/zinc/75/83/71/963758371.db2.gz ZOUOXAASXOSQNL-SECBINFHSA-N 1 2 234.299 2.675 20 0 BFADLO c1ccc(C2(Nc3cccc[nH+]3)CC2)nc1 ZINC001168146975 963864028 /nfs/dbraw/zinc/86/40/28/963864028.db2.gz QXXIEPOGHGTAEN-UHFFFAOYSA-N 1 2 211.268 2.578 20 0 BFADLO Cn1cc2cccc(CNc3cccc[nH+]3)c2n1 ZINC001168195962 963961014 /nfs/dbraw/zinc/96/10/14/963961014.db2.gz QYLKXGQIMNGHIV-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCOc1ccc(F)c(Nc2ccc(N)[nH+]c2)c1 ZINC001159282604 964050711 /nfs/dbraw/zinc/05/07/11/964050711.db2.gz ZFTKMSBAWGJJCR-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Nc1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001159464875 964100779 /nfs/dbraw/zinc/10/07/79/964100779.db2.gz MQYYDZHDYJSADK-UHFFFAOYSA-N 1 2 224.267 2.889 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(O)cc2C)c(N)c1 ZINC001214177516 964139828 /nfs/dbraw/zinc/13/98/28/964139828.db2.gz DOIQVCIIWAMREG-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCc1ccc(-c2noc(C[NH+]3CCC3)n2)cc1 ZINC001212095361 964249707 /nfs/dbraw/zinc/24/97/07/964249707.db2.gz DGWPJEDTMQUAFP-UHFFFAOYSA-N 1 2 243.310 2.505 20 0 BFADLO Nc1cccc(O)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213033532 964625281 /nfs/dbraw/zinc/62/52/81/964625281.db2.gz LKXRZQVTHVJLQU-UHFFFAOYSA-N 1 2 240.266 2.594 20 0 BFADLO Cc1cnc(NCc2c[nH+]cn2C(C)C)c(F)c1 ZINC001161563276 964644394 /nfs/dbraw/zinc/64/43/94/964644394.db2.gz XBXAKJMXWLTACJ-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO COc1cccc(F)c1NCCCn1cc[nH+]c1 ZINC001161684941 964684915 /nfs/dbraw/zinc/68/49/15/964684915.db2.gz YRJAIGJQCNGMSS-UHFFFAOYSA-N 1 2 249.289 2.533 20 0 BFADLO Cc1ncc(Nc2cccc3[nH+]ccn32)s1 ZINC001212124532 964722168 /nfs/dbraw/zinc/72/21/68/964722168.db2.gz YQIRPWAZPSHSEM-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Nc1[nH+]c(N[C@H]2CC=CCC2)ccc1Cl ZINC001161758141 964739787 /nfs/dbraw/zinc/73/97/87/964739787.db2.gz WMCPHCZUHPYQIQ-QMMMGPOBSA-N 1 2 223.707 2.838 20 0 BFADLO Fc1ccc(NC2CSC2)cc1-n1cc[nH+]c1 ZINC001168366918 964805929 /nfs/dbraw/zinc/80/59/29/964805929.db2.gz FCSYWLDCPNKQAU-UHFFFAOYSA-N 1 2 249.314 2.539 20 0 BFADLO Cc1cccnc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001161876864 964806749 /nfs/dbraw/zinc/80/67/49/964806749.db2.gz NGAHUNFYPJZWCR-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CC[C@H](C)COC1C[NH+](Cc2ccccc2)C1 ZINC001224663678 964851630 /nfs/dbraw/zinc/85/16/30/964851630.db2.gz LSTXEKLYSLIIBJ-ZDUSSCGKSA-N 1 2 233.355 2.934 20 0 BFADLO CCc1coc(CNc2c[nH+]cc(C)c2C)n1 ZINC001162138675 964853998 /nfs/dbraw/zinc/85/39/98/964853998.db2.gz YWGFTKSWEJKZJD-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO COC(=[NH2+])c1cccc(NC2CC(F)C2)c1 ZINC001162213551 964873268 /nfs/dbraw/zinc/87/32/68/964873268.db2.gz FKVYGYQXVOUFQT-UHFFFAOYSA-N 1 2 222.263 2.571 20 0 BFADLO c1[nH+]c2c(cc1NCCC1CCOCC1)CCC2 ZINC001162221764 964878518 /nfs/dbraw/zinc/87/85/18/964878518.db2.gz VNPZORZBSIEITF-UHFFFAOYSA-N 1 2 246.354 2.799 20 0 BFADLO CC(F)(F)CNc1ccc(-n2cccc2)c[nH+]1 ZINC001162230258 964882945 /nfs/dbraw/zinc/88/29/45/964882945.db2.gz BHFYFTCHEJKFFW-UHFFFAOYSA-N 1 2 237.253 2.939 20 0 BFADLO F[C@H]1COCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC001162343810 964939718 /nfs/dbraw/zinc/93/97/18/964939718.db2.gz CNZMBPYJSUPLER-QWHCGFSZSA-N 1 2 246.285 2.774 20 0 BFADLO CC(C)(Nc1[nH+]cnc2[nH]cc(F)c21)C1CC1 ZINC001162515028 965013338 /nfs/dbraw/zinc/01/33/38/965013338.db2.gz WOBGBEXOTDWSKL-UHFFFAOYSA-N 1 2 234.278 2.698 20 0 BFADLO Clc1cnccc1Nc1cccc2[nH+]ccn21 ZINC001212144267 965068841 /nfs/dbraw/zinc/06/88/41/965068841.db2.gz MJYVZSWFFGRWOY-UHFFFAOYSA-N 1 2 244.685 2.548 20 0 BFADLO Clc1cnccc1Nc1cccn2cc[nH+]c12 ZINC001212147060 965077422 /nfs/dbraw/zinc/07/74/22/965077422.db2.gz XAGZPHLOYHVEKG-UHFFFAOYSA-N 1 2 244.685 2.548 20 0 BFADLO Cc1cc(C)c(Nc2ccncc2Cl)c[nH+]1 ZINC001212147722 965082312 /nfs/dbraw/zinc/08/23/12/965082312.db2.gz IEBQKNVQQRODMO-UHFFFAOYSA-N 1 2 233.702 2.912 20 0 BFADLO Cc1cc(NCc2cccn2C)[nH+]c2cc[nH]c21 ZINC001162711649 965134429 /nfs/dbraw/zinc/13/44/29/965134429.db2.gz QWFMWPNATIWXMY-UHFFFAOYSA-N 1 2 240.310 2.822 20 0 BFADLO Cc1cc[nH+]c(Nc2cnc(F)c(C)c2)c1 ZINC001212173853 965236437 /nfs/dbraw/zinc/23/64/37/965236437.db2.gz VJKJWHGWXHZTGM-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@@H](C)c1ccno1 ZINC001163213822 965306941 /nfs/dbraw/zinc/30/69/41/965306941.db2.gz PYTSPHVHRHJYPA-QMMMGPOBSA-N 1 2 221.235 2.690 20 0 BFADLO CC(C)N(C)c1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC001163622163 965486639 /nfs/dbraw/zinc/48/66/39/965486639.db2.gz FGCCOZFFSHNVAO-GFCCVEGCSA-N 1 2 248.374 2.558 20 0 BFADLO CC(C)N(C)c1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC001163622163 965486646 /nfs/dbraw/zinc/48/66/46/965486646.db2.gz FGCCOZFFSHNVAO-GFCCVEGCSA-N 1 2 248.374 2.558 20 0 BFADLO CC(C)N(C)c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC001163622164 965487065 /nfs/dbraw/zinc/48/70/65/965487065.db2.gz FGCCOZFFSHNVAO-LBPRGKRZSA-N 1 2 248.374 2.558 20 0 BFADLO CC(C)N(C)c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC001163622164 965487073 /nfs/dbraw/zinc/48/70/73/965487073.db2.gz FGCCOZFFSHNVAO-LBPRGKRZSA-N 1 2 248.374 2.558 20 0 BFADLO CC1(C)CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001163729761 965543752 /nfs/dbraw/zinc/54/37/52/965543752.db2.gz BYBIFKHIVUPFQB-UHFFFAOYSA-N 1 2 202.301 2.805 20 0 BFADLO CCCOCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000714973762 965574832 /nfs/dbraw/zinc/57/48/32/965574832.db2.gz BSFIWDOKTFVSRA-UHFFFAOYSA-N 1 2 237.347 2.747 20 0 BFADLO Cc1nc(N2CCCO[C@H](C)C2)cc(C(C)C)[nH+]1 ZINC001163961091 965661316 /nfs/dbraw/zinc/66/13/16/965661316.db2.gz RAOJDCBCGMGREP-LLVKDONJSA-N 1 2 249.358 2.524 20 0 BFADLO CC1(Nc2ccc3c([nH+]2)CCOC3)CCC1 ZINC001164029466 965702649 /nfs/dbraw/zinc/70/26/49/965702649.db2.gz AWMJNBMERMFVAO-UHFFFAOYSA-N 1 2 218.300 2.509 20 0 BFADLO Cc1cc(Cl)c(C)c(N2C[C@@H](F)[C@H](F)C2)[nH+]1 ZINC001164210265 965795053 /nfs/dbraw/zinc/79/50/53/965795053.db2.gz BSJIPYFHPWLBSF-NXEZZACHSA-N 1 2 246.688 2.848 20 0 BFADLO Cc1nc(N2C[C@@H](C)C[C@H]2CF)c(C)c(C)[nH+]1 ZINC001164261130 965816314 /nfs/dbraw/zinc/81/63/14/965816314.db2.gz ZHSKDQHQLFOKIJ-UFBFGSQYSA-N 1 2 237.322 2.586 20 0 BFADLO CC(C)Oc1cc(NCCn2cccc2)cc[nH+]1 ZINC001164452442 965888015 /nfs/dbraw/zinc/88/80/15/965888015.db2.gz MCJWHEQWBBTLCI-UHFFFAOYSA-N 1 2 245.326 2.782 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NCCn1cccc1 ZINC001164458313 965891542 /nfs/dbraw/zinc/89/15/42/965891542.db2.gz RAHDMPGHBBWYJH-UHFFFAOYSA-N 1 2 245.326 2.782 20 0 BFADLO CCCc1cc(N(C)C(C)(C)C)nc(C)[nH+]1 ZINC001166527461 966282859 /nfs/dbraw/zinc/28/28/59/966282859.db2.gz PKABRXCFDMBEKI-UHFFFAOYSA-N 1 2 221.348 2.972 20 0 BFADLO Cc1nc(N(C)C(C)(C)C)c(C)c(C)[nH+]1 ZINC001166528022 966287972 /nfs/dbraw/zinc/28/79/72/966287972.db2.gz GYVWYJPMONETHF-UHFFFAOYSA-N 1 2 207.321 2.637 20 0 BFADLO Nc1ccc(-c2cccc(-c3cnco3)c2)c[nH+]1 ZINC001236313005 966360270 /nfs/dbraw/zinc/36/02/70/966360270.db2.gz DPUKYVGSKASKDE-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO C[C@H]1CC(=O)CCN1c1cc(C2CC2)cc[nH+]1 ZINC001166934706 966451701 /nfs/dbraw/zinc/45/17/01/966451701.db2.gz DBLLJWUMIBBVKI-JTQLQIEISA-N 1 2 230.311 2.517 20 0 BFADLO CCN(c1cc(C)c2ccccc2[nH+]1)C1COC1 ZINC001166942795 966466126 /nfs/dbraw/zinc/46/61/26/966466126.db2.gz SVIPLHCRTGWFCR-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)o1 ZINC001236589886 966474092 /nfs/dbraw/zinc/47/40/92/966474092.db2.gz SJMTUODJLHVMBJ-NEPJUHHUSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)o1 ZINC001236589886 966474104 /nfs/dbraw/zinc/47/41/04/966474104.db2.gz SJMTUODJLHVMBJ-NEPJUHHUSA-N 1 2 244.285 2.563 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1ccc(F)c(N)c1 ZINC001212336982 966501430 /nfs/dbraw/zinc/50/14/30/966501430.db2.gz SRGPVPPBAWXULC-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO Nc1cc(Nc2ccn3cc[nH+]c3c2)ccc1F ZINC001212336493 966501729 /nfs/dbraw/zinc/50/17/29/966501729.db2.gz FIFNBTWESXSHIM-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO CC(C)[C@H]1COCCN1c1cccc(C2CC2)[nH+]1 ZINC001167000250 966513992 /nfs/dbraw/zinc/51/39/92/966513992.db2.gz XJEWLFTUAFRHAE-CQSZACIVSA-N 1 2 246.354 2.820 20 0 BFADLO CC(C)[N@H+](Cc1cnn[nH]1)[C@@H](C)c1ccccc1 ZINC001203213338 966559352 /nfs/dbraw/zinc/55/93/52/966559352.db2.gz OMUHIHASGLPFTN-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO CC(C)[N@@H+](Cc1cnn[nH]1)[C@@H](C)c1ccccc1 ZINC001203213338 966559362 /nfs/dbraw/zinc/55/93/62/966559362.db2.gz OMUHIHASGLPFTN-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO CC(C)[N@H+](Cc1c[nH]nn1)[C@@H](C)c1ccccc1 ZINC001203213338 966559365 /nfs/dbraw/zinc/55/93/65/966559365.db2.gz OMUHIHASGLPFTN-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO CC(C)[N@@H+](Cc1c[nH]nn1)[C@@H](C)c1ccccc1 ZINC001203213338 966559375 /nfs/dbraw/zinc/55/93/75/966559375.db2.gz OMUHIHASGLPFTN-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO CCc1cc(C[N@H+](C)Cc2ccc(C)nc2)on1 ZINC001203229036 966568889 /nfs/dbraw/zinc/56/88/89/966568889.db2.gz SPSHVUGNGCBPQD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1cc(C[N@@H+](C)Cc2ccc(C)nc2)on1 ZINC001203229036 966568900 /nfs/dbraw/zinc/56/89/00/966568900.db2.gz SPSHVUGNGCBPQD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO F[C@@H]1C[N@H+](Cc2ccco2)CCCC1(F)F ZINC001203273157 966588808 /nfs/dbraw/zinc/58/88/08/966588808.db2.gz UZGJLKNHTYQFCI-SNVBAGLBSA-N 1 2 233.233 2.849 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2ccco2)CCCC1(F)F ZINC001203273157 966588826 /nfs/dbraw/zinc/58/88/26/966588826.db2.gz UZGJLKNHTYQFCI-SNVBAGLBSA-N 1 2 233.233 2.849 20 0 BFADLO Cc1ccc(Nc2nnccc2C)c(C)[nH+]1 ZINC001203369647 966608394 /nfs/dbraw/zinc/60/83/94/966608394.db2.gz RGTZFQURAYYQFJ-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2cccnc2C1 ZINC001203356972 966612530 /nfs/dbraw/zinc/61/25/30/966612530.db2.gz ANIIADMUGNZKQX-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2cccnc2C1 ZINC001203356972 966612534 /nfs/dbraw/zinc/61/25/34/966612534.db2.gz ANIIADMUGNZKQX-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1nsc(Nc2ccc(C)[nH+]c2C)n1 ZINC001203363534 966613423 /nfs/dbraw/zinc/61/34/23/966613423.db2.gz VGWSHNIKWHUZCT-UHFFFAOYSA-N 1 2 220.301 2.602 20 0 BFADLO CCn1nccc1Nc1ccc(C)[nH+]c1C ZINC001203363254 966614973 /nfs/dbraw/zinc/61/49/73/966614973.db2.gz OEUIZYYNMMIOFQ-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO Cc1ccc(Nc2nccs2)c(C)[nH+]1 ZINC001203363451 966615978 /nfs/dbraw/zinc/61/59/78/966615978.db2.gz QWTNZSNJBORWCU-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CNc1ccc(Nc2ccc(OC)nc2C)c[nH+]1 ZINC001203448926 966649871 /nfs/dbraw/zinc/64/98/71/966649871.db2.gz RCWZTKIXYPQNIM-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO CNc1ccc(Nc2cc(N)ccc2F)c[nH+]1 ZINC001203458616 966654476 /nfs/dbraw/zinc/65/44/76/966654476.db2.gz PBGOYCKVYVGDDS-UHFFFAOYSA-N 1 2 232.262 2.588 20 0 BFADLO CNc1ccc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001203450145 966658376 /nfs/dbraw/zinc/65/83/76/966658376.db2.gz WOLAPPYVIWMQQN-UHFFFAOYSA-N 1 2 228.299 2.879 20 0 BFADLO CNc1ccc(Nc2ccnc(SC)c2)c[nH+]1 ZINC001203455826 966658621 /nfs/dbraw/zinc/65/86/21/966658621.db2.gz WCZSTFVEYNOCBS-UHFFFAOYSA-N 1 2 246.339 2.984 20 0 BFADLO CNc1ccc(Nc2cccc(O)c2OC)c[nH+]1 ZINC001203465520 966661660 /nfs/dbraw/zinc/66/16/60/966661660.db2.gz WAKKGRWYQUZLQQ-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO COc1cccc2[nH]c(NCc3ccoc3)[nH+]c21 ZINC001203547067 966679401 /nfs/dbraw/zinc/67/94/01/966679401.db2.gz CQDOSSQXNYQIFU-UHFFFAOYSA-N 1 2 243.266 2.777 20 0 BFADLO COc1ncc(Nc2cc(C)c[nH+]c2C)c(C)n1 ZINC001203657288 966719419 /nfs/dbraw/zinc/71/94/19/966719419.db2.gz KVVBZRUUQYXRJK-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1cc(Nc2cc(C)c[nH+]c2C)on1 ZINC001203652850 966719662 /nfs/dbraw/zinc/71/96/62/966719662.db2.gz DVMIHGCKOSFWEU-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncs2)c1 ZINC001203655999 966722513 /nfs/dbraw/zinc/72/25/13/966722513.db2.gz GSQLUUCHRWCWPS-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnncc2Cl)c1 ZINC001203655831 966722874 /nfs/dbraw/zinc/72/28/74/966722874.db2.gz CNCHKKDSXCAQBN-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cnc(Cl)cn2)c1 ZINC001203654325 966723562 /nfs/dbraw/zinc/72/35/62/966723562.db2.gz HDVNXMKUPGCSDO-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO COc1cc(F)ncc1Nc1cc(C)c[nH+]c1C ZINC001203660097 966731716 /nfs/dbraw/zinc/73/17/16/966731716.db2.gz BQVAPZGVLLUNBH-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO c1cn(-c2ccc(-c3cnoc3)cc2)c[nH+]1 ZINC001239178866 966841557 /nfs/dbraw/zinc/84/15/57/966841557.db2.gz ZPMATULXZOZXLV-UHFFFAOYSA-N 1 2 211.224 2.527 20 0 BFADLO CC[N@H+](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC001203983588 966842457 /nfs/dbraw/zinc/84/24/57/966842457.db2.gz KZUNTRNJSCLRLS-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1ncc[nH]1)Cc1ccc(F)cc1 ZINC001203983588 966842460 /nfs/dbraw/zinc/84/24/60/966842460.db2.gz KZUNTRNJSCLRLS-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO Fc1cccc(C[NH+]2CC3(CSC3)C2)c1F ZINC001204201538 966924465 /nfs/dbraw/zinc/92/44/65/966924465.db2.gz YZXZKBURUWQGPD-UHFFFAOYSA-N 1 2 241.306 2.514 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001204228075 966930561 /nfs/dbraw/zinc/93/05/61/966930561.db2.gz QROOVZKWODDGGG-PELKAZGASA-N 1 2 229.245 2.897 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001204228075 966930567 /nfs/dbraw/zinc/93/05/67/966930567.db2.gz QROOVZKWODDGGG-PELKAZGASA-N 1 2 229.245 2.897 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CC3(CSC3)C2)c1 ZINC001204232816 966938390 /nfs/dbraw/zinc/93/83/90/966938390.db2.gz SUHMCPWZPKRJDY-UHFFFAOYSA-N 1 2 241.306 2.514 20 0 BFADLO CCc1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)o1 ZINC001204395448 966991095 /nfs/dbraw/zinc/99/10/95/966991095.db2.gz QEVBFNZWYXXYHB-AWEZNQCLSA-N 1 2 235.327 2.786 20 0 BFADLO CCc1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)o1 ZINC001204395448 966991109 /nfs/dbraw/zinc/99/11/09/966991109.db2.gz QEVBFNZWYXXYHB-AWEZNQCLSA-N 1 2 235.327 2.786 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001204506742 967014041 /nfs/dbraw/zinc/01/40/41/967014041.db2.gz MJGZLQQWUAFHRP-SNVBAGLBSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001204506742 967014048 /nfs/dbraw/zinc/01/40/48/967014048.db2.gz MJGZLQQWUAFHRP-SNVBAGLBSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccno2)oc1C ZINC001204539361 967042682 /nfs/dbraw/zinc/04/26/82/967042682.db2.gz OMECRVGFGRWKNR-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccno2)oc1C ZINC001204539361 967042691 /nfs/dbraw/zinc/04/26/91/967042691.db2.gz OMECRVGFGRWKNR-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CN(c1cc(Cl)ccc1N)c1[nH+]cccc1N ZINC001212427286 967173115 /nfs/dbraw/zinc/17/31/15/967173115.db2.gz LLUPPMYXGAHLNY-UHFFFAOYSA-N 1 2 248.717 2.667 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2C)c(F)c1 ZINC001204900420 967224472 /nfs/dbraw/zinc/22/44/72/967224472.db2.gz VIOOFWHWYJBLSD-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C[N@H+]2C[C@H](F)C[C@H]2C)c(F)c1 ZINC001204900420 967224482 /nfs/dbraw/zinc/22/44/82/967224482.db2.gz VIOOFWHWYJBLSD-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO CN(C)c1ccc(Cc2ccc(F)cc2)c[nH+]1 ZINC001249990874 967237795 /nfs/dbraw/zinc/23/77/95/967237795.db2.gz DUIIUPQAKLEFOY-UHFFFAOYSA-N 1 2 230.286 2.878 20 0 BFADLO Cc1[nH+]cc(Cc2ccc(F)cc2)cc1N ZINC001249992797 967246751 /nfs/dbraw/zinc/24/67/51/967246751.db2.gz IMHYZKIOBXKGMP-UHFFFAOYSA-N 1 2 216.259 2.702 20 0 BFADLO Clc1cc(Nc2ccn3cc[nH+]c3c2)cnn1 ZINC001204951280 967250325 /nfs/dbraw/zinc/25/03/25/967250325.db2.gz QHMNIUXYDGUYMH-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO c1cn2ccc(Nc3cc4ccccn4n3)cc2[nH+]1 ZINC001204971336 967270313 /nfs/dbraw/zinc/27/03/13/967270313.db2.gz IANOQBOFPUJLIV-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1cc(-c2ccc(CO)c(C)c2C)c[nH+]c1N ZINC001204976028 967271179 /nfs/dbraw/zinc/27/11/79/967271179.db2.gz GFTCVAMOIGURLD-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Oc1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001204983328 967274164 /nfs/dbraw/zinc/27/41/64/967274164.db2.gz RWZRQCYXKBHYOR-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO CNc1cc(CCC(=O)c2ccccc2)cc[nH+]1 ZINC001250027348 967280933 /nfs/dbraw/zinc/28/09/33/967280933.db2.gz XYCHSYSFEDHXHR-UHFFFAOYSA-N 1 2 240.306 2.939 20 0 BFADLO CNc1ccc(CCC(=O)c2ccccc2)c[nH+]1 ZINC001250024199 967281777 /nfs/dbraw/zinc/28/17/77/967281777.db2.gz BSJNNMPNPLLUKW-UHFFFAOYSA-N 1 2 240.306 2.939 20 0 BFADLO Cc1cccc(C[NH+]2C[C@@H](F)[C@H](F)C2)c1C ZINC001205067022 967318102 /nfs/dbraw/zinc/31/81/02/967318102.db2.gz JYCQFEBZVJIRIS-CHWSQXEVSA-N 1 2 225.282 2.795 20 0 BFADLO CCCn1cc(-c2ccc3[nH+]c(C)cn3c2)cn1 ZINC001240133413 967331747 /nfs/dbraw/zinc/33/17/47/967331747.db2.gz DQUCYRIPMNPXSO-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1noc(C)c1Cc1c[nH+]cc(C)c1C ZINC001250070411 967338864 /nfs/dbraw/zinc/33/88/64/967338864.db2.gz KDKCACCXEVUYEP-UHFFFAOYSA-N 1 2 216.284 2.894 20 0 BFADLO COc1cc(F)c(C)cc1C[N@@H+]1CC[C@H](F)C1 ZINC001250094261 967363105 /nfs/dbraw/zinc/36/31/05/967363105.db2.gz VFOPVEGPZSEYMV-NSHDSACASA-N 1 2 241.281 2.687 20 0 BFADLO COc1cc(F)c(C)cc1C[N@H+]1CC[C@H](F)C1 ZINC001250094261 967363113 /nfs/dbraw/zinc/36/31/13/967363113.db2.gz VFOPVEGPZSEYMV-NSHDSACASA-N 1 2 241.281 2.687 20 0 BFADLO c1cc(N2CCCCC2)[nH+]cc1C[C@@H]1CCCO1 ZINC001250101114 967370754 /nfs/dbraw/zinc/37/07/54/967370754.db2.gz RKORWYIKCWRLIW-AWEZNQCLSA-N 1 2 246.354 2.793 20 0 BFADLO COc1nccc(-c2ccc3[nH+]ccn3c2)c1C ZINC001240218513 967428290 /nfs/dbraw/zinc/42/82/90/967428290.db2.gz PKWXZWDVHTZFKK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(-c2csc(CO)c2)c2[nH+]ccn2c1 ZINC001205297691 967496353 /nfs/dbraw/zinc/49/63/53/967496353.db2.gz KSBDKQIJBGWUBZ-UHFFFAOYSA-N 1 2 244.319 2.864 20 0 BFADLO Cc1c(-c2csc(CO)c2)ccc2[nH+]ccn21 ZINC001205316298 967525675 /nfs/dbraw/zinc/52/56/75/967525675.db2.gz DDSKZYSYLWOBGY-UHFFFAOYSA-N 1 2 244.319 2.864 20 0 BFADLO Clc1cncc(C[NH+]2CCCC2)c1Cl ZINC001205045759 967560956 /nfs/dbraw/zinc/56/09/56/967560956.db2.gz CQWSUFXNRIACBR-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO COc1cccc(Cc2c[nH+]c(C)c(N)c2)c1 ZINC001250264447 967583718 /nfs/dbraw/zinc/58/37/18/967583718.db2.gz WFMIINPROFWHNO-UHFFFAOYSA-N 1 2 228.295 2.572 20 0 BFADLO CCOc1cc(C[N@@H+]2CC[C@@H]2C)c(Cl)cn1 ZINC001250304701 967648789 /nfs/dbraw/zinc/64/87/89/967648789.db2.gz IXEXDDBQNSZKII-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1cc(C[N@H+]2CC[C@@H]2C)c(Cl)cn1 ZINC001250304701 967648809 /nfs/dbraw/zinc/64/88/09/967648809.db2.gz IXEXDDBQNSZKII-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1cc(C[NH+]2CC=CC2)c(Cl)cn1 ZINC001250304674 967653331 /nfs/dbraw/zinc/65/33/31/967653331.db2.gz INACPMJZJQLDDS-UHFFFAOYSA-N 1 2 238.718 2.506 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250315953 967680186 /nfs/dbraw/zinc/68/01/86/967680186.db2.gz ZDRYHZJRJBNXMU-UHFFFAOYSA-N 1 2 216.284 2.525 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)c(C)c1 ZINC001250316726 967686306 /nfs/dbraw/zinc/68/63/06/967686306.db2.gz UWOHXXGAXYCYHV-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO c1cn(CCc2cnn(C3CCCCC3)c2)c[nH+]1 ZINC001250316648 967686968 /nfs/dbraw/zinc/68/69/68/967686968.db2.gz QQUNAFGATZFDMP-UHFFFAOYSA-N 1 2 244.342 2.828 20 0 BFADLO COc1c(C)cc(CCn2cc[nH+]c2)cc1C ZINC001250316777 967687212 /nfs/dbraw/zinc/68/72/12/967687212.db2.gz XNGUCZCMJKPCKE-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO Cc1ccc(F)cc1CCn1cc[nH+]c1 ZINC001250316796 967689061 /nfs/dbraw/zinc/68/90/61/967689061.db2.gz YJTVZXLWGJYEOL-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO COc1cc(CCn2cc[nH+]c2)ccc1Cl ZINC001250316749 967691333 /nfs/dbraw/zinc/69/13/33/967691333.db2.gz VVJUPILQESHXJO-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO COc1cc(Cl)cc(CCn2cc[nH+]c2)c1 ZINC001250316810 967691498 /nfs/dbraw/zinc/69/14/98/967691498.db2.gz ZGHSBIBHGHGIJQ-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO FC(F)(F)c1ncccc1CCn1cc[nH+]c1 ZINC001250320070 967695839 /nfs/dbraw/zinc/69/58/39/967695839.db2.gz XMJJGLONHRMVGA-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO Oc1ccc(Cl)c(CCn2cc[nH+]c2)c1F ZINC001250321084 967699538 /nfs/dbraw/zinc/69/95/38/967699538.db2.gz VSJGEGINZOLKJY-UHFFFAOYSA-N 1 2 240.665 2.624 20 0 BFADLO FC1CC(Nc2[nH+]cccc2-n2cccc2)C1 ZINC001162209598 967739878 /nfs/dbraw/zinc/73/98/78/967739878.db2.gz KGUBWZDLAQATDL-UHFFFAOYSA-N 1 2 231.274 2.785 20 0 BFADLO CCOc1nccc(C[N@H+](C)C2CC2)c1Cl ZINC001250360619 967764855 /nfs/dbraw/zinc/76/48/55/967764855.db2.gz CIFWCKZDNBOAFL-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1nccc(C[N@@H+](C)C2CC2)c1Cl ZINC001250360619 967764871 /nfs/dbraw/zinc/76/48/71/967764871.db2.gz CIFWCKZDNBOAFL-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CCc1cccnc1Nc1ccc(NC)[nH+]c1 ZINC001203448807 967776659 /nfs/dbraw/zinc/77/66/59/967776659.db2.gz KZRFIMLIXWZHFE-UHFFFAOYSA-N 1 2 228.299 2.824 20 0 BFADLO Cc1cccc(Cc2cc(C)[nH+]c(C)c2)n1 ZINC001250423219 967835278 /nfs/dbraw/zinc/83/52/78/967835278.db2.gz OXFCZIQLUKSQED-UHFFFAOYSA-N 1 2 212.296 2.993 20 0 BFADLO COc1cc2[nH+]c(CCSC)[nH]c2cc1C ZINC001250426707 967842443 /nfs/dbraw/zinc/84/24/43/967842443.db2.gz PNJSIVQMOCYXIF-UHFFFAOYSA-N 1 2 236.340 2.785 20 0 BFADLO COc1cc[nH+]c(Nc2cnn(CC(C)C)c2)c1 ZINC001205836852 967845026 /nfs/dbraw/zinc/84/50/26/967845026.db2.gz CFYZWYRYHLXERR-UHFFFAOYSA-N 1 2 246.314 2.686 20 0 BFADLO c1c2c(cc3[nH+]c([C@@H]4CCOC4)[nH]c13)CCC2 ZINC001250431327 967848871 /nfs/dbraw/zinc/84/88/71/967848871.db2.gz BOCYAASVXGKGEE-LLVKDONJSA-N 1 2 228.295 2.556 20 0 BFADLO COc1cc[nH+]c(Nc2cnn(C(C)(C)C)c2)c1 ZINC001212567658 967880325 /nfs/dbraw/zinc/88/03/25/967880325.db2.gz KNVQBDOEFFIMIV-UHFFFAOYSA-N 1 2 246.314 2.785 20 0 BFADLO CC(C)Oc1ccc(NC(=[NH2+])C(C)(C)C)nn1 ZINC001162657924 967884337 /nfs/dbraw/zinc/88/43/37/967884337.db2.gz VVEAVLJDZKXXIS-UHFFFAOYSA-N 1 2 236.319 2.699 20 0 BFADLO CN(C)c1[nH+]ccc2cc(Cl)ccc21 ZINC001163569661 968062483 /nfs/dbraw/zinc/06/24/83/968062483.db2.gz WIICSKWPLRDVLN-UHFFFAOYSA-N 1 2 206.676 2.954 20 0 BFADLO Cn1c[nH+]cc1-c1cc(F)cc(N2CCCC2)c1 ZINC001206114091 968070415 /nfs/dbraw/zinc/07/04/15/968070415.db2.gz QKTZCZIZLPQKKQ-UHFFFAOYSA-N 1 2 245.301 2.826 20 0 BFADLO Cc1cc2nc(C[NH+](C)C)[nH]c2cc1Cl ZINC001250565740 968078515 /nfs/dbraw/zinc/07/85/15/968078515.db2.gz QIRKARITQYPGSY-UHFFFAOYSA-N 1 2 223.707 2.586 20 0 BFADLO CCC1C[NH+](Cc2snc(OC)c2Cl)C1 ZINC001206159054 968096812 /nfs/dbraw/zinc/09/68/12/968096812.db2.gz HMFRPKMQWDCECO-UHFFFAOYSA-N 1 2 246.763 2.647 20 0 BFADLO Cc1cc(O)cc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001206234230 968159461 /nfs/dbraw/zinc/15/94/61/968159461.db2.gz NZMLGPNIZYHYTP-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO COC(C)(C)Cc1[nH]c2c(cc(F)cc2C)[nH+]1 ZINC001250613766 968161209 /nfs/dbraw/zinc/16/12/09/968161209.db2.gz UGZJUPZFCXMDHB-UHFFFAOYSA-N 1 2 236.290 2.978 20 0 BFADLO CC(C)[N@H+](Cc1nnc[nH]1)[C@@H](C)c1ccccc1 ZINC001118496637 968163952 /nfs/dbraw/zinc/16/39/52/968163952.db2.gz CUOUTAPICJVPLC-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO CC(C)[N@@H+](Cc1nnc[nH]1)[C@@H](C)c1ccccc1 ZINC001118496637 968163957 /nfs/dbraw/zinc/16/39/57/968163957.db2.gz CUOUTAPICJVPLC-LBPRGKRZSA-N 1 2 244.342 2.776 20 0 BFADLO COc1ccc2c(c1)[nH+]c([C@@H]1C[C@@H]1C)n2C ZINC001250616304 968164549 /nfs/dbraw/zinc/16/45/49/968164549.db2.gz ZRLNCKPMDGMSFN-WCBMZHEXSA-N 1 2 216.284 2.705 20 0 BFADLO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(C(C)C)[nH+]1 ZINC001166967560 968407323 /nfs/dbraw/zinc/40/73/23/968407323.db2.gz FCADMVQOIQHAFS-QWRGUYRKSA-N 1 2 249.358 2.522 20 0 BFADLO CN(C)c1ccc(Nc2cc(O)cc(F)c2)c[nH+]1 ZINC001206754495 968454144 /nfs/dbraw/zinc/45/41/44/968454144.db2.gz FUOIACQQDKLMJF-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(OCC2CC2)c1 ZINC001206764311 968461557 /nfs/dbraw/zinc/46/15/57/968461557.db2.gz VVPLHKIDGLOICA-UHFFFAOYSA-N 1 2 228.295 2.876 20 0 BFADLO c1c(C[NH+]2CCC2)noc1-c1ccccc1 ZINC001206838463 968495255 /nfs/dbraw/zinc/49/52/55/968495255.db2.gz AGHUIDJEMCCEDE-UHFFFAOYSA-N 1 2 214.268 2.547 20 0 BFADLO Fc1cncc(F)c1C[N@H+](CC1CC1)C1CC1 ZINC001206859678 968503294 /nfs/dbraw/zinc/50/32/94/968503294.db2.gz HUXFYGPSTXUTFK-UHFFFAOYSA-N 1 2 238.281 2.734 20 0 BFADLO Fc1cncc(F)c1C[N@@H+](CC1CC1)C1CC1 ZINC001206859678 968503300 /nfs/dbraw/zinc/50/33/00/968503300.db2.gz HUXFYGPSTXUTFK-UHFFFAOYSA-N 1 2 238.281 2.734 20 0 BFADLO Fc1cncc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001207024836 968555853 /nfs/dbraw/zinc/55/58/53/968555853.db2.gz HVDJIXVQNTYRGD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cncc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001207024836 968555867 /nfs/dbraw/zinc/55/58/67/968555867.db2.gz HVDJIXVQNTYRGD-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO CC(C)=Cc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001240631862 968583587 /nfs/dbraw/zinc/58/35/87/968583587.db2.gz AACHCYJEUFCMSM-UHFFFAOYSA-N 1 2 217.316 2.808 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3occc3C2)s1 ZINC001207061957 968590296 /nfs/dbraw/zinc/59/02/96/968590296.db2.gz QPULJRDAIONPJV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3occc3C2)s1 ZINC001207061957 968590303 /nfs/dbraw/zinc/59/03/03/968590303.db2.gz QPULJRDAIONPJV-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1csc(CCCNc2cc[nH+]c(C)n2)n1 ZINC001252164867 968611791 /nfs/dbraw/zinc/61/17/91/968611791.db2.gz RUDGKMNCQYGNTD-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000825216168 968635160 /nfs/dbraw/zinc/63/51/60/968635160.db2.gz DZDNVXSBHPCAIC-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1ncccc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001207147698 968655512 /nfs/dbraw/zinc/65/55/12/968655512.db2.gz HRDYXAAUFJMGJO-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ncccc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001207147698 968655518 /nfs/dbraw/zinc/65/55/18/968655518.db2.gz HRDYXAAUFJMGJO-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO F[C@@H]1C[NH+](CC2(c3ccccc3)CC2)C[C@H]1F ZINC001207832982 968895353 /nfs/dbraw/zinc/89/53/53/968895353.db2.gz HOOUMXIFDTZEIN-CHWSQXEVSA-N 1 2 237.293 2.710 20 0 BFADLO C[C@H](C[NH+]1CC(C)(F)C1)c1ccccc1 ZINC001207903637 968921660 /nfs/dbraw/zinc/92/16/60/968921660.db2.gz PAWBZHLMTIRKLD-LLVKDONJSA-N 1 2 207.292 2.834 20 0 BFADLO C[C@@H](C[N@H+]1C[C@@H](F)[C@@H](F)C1)c1ccccc1 ZINC001207903197 968921734 /nfs/dbraw/zinc/92/17/34/968921734.db2.gz DLDXTRBRIVSCJC-WCFLWFBJSA-N 1 2 225.282 2.782 20 0 BFADLO C[C@@H](C[N@@H+]1C[C@@H](F)[C@@H](F)C1)c1ccccc1 ZINC001207903197 968921745 /nfs/dbraw/zinc/92/17/45/968921745.db2.gz DLDXTRBRIVSCJC-WCFLWFBJSA-N 1 2 225.282 2.782 20 0 BFADLO Nc1cc(-c2cccc3cc[nH]c32)cc[nH+]1 ZINC001241161947 968939377 /nfs/dbraw/zinc/93/93/77/968939377.db2.gz BSHHCOMTSYZGFN-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO Cc1c(-c2ccc(CO)cc2)ccc2[nH+]ccn21 ZINC001241559236 969037714 /nfs/dbraw/zinc/03/77/14/969037714.db2.gz YEEABFQXOMJVDS-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Nc1ccc(Nc2c(F)cc(F)cc2F)c[nH+]1 ZINC000088719768 969062825 /nfs/dbraw/zinc/06/28/25/969062825.db2.gz SUQCPCIPSULKOW-UHFFFAOYSA-N 1 2 239.200 2.825 20 0 BFADLO Cc1c(-c2cscn2)ccc2[nH+]ccn21 ZINC001241892538 969133687 /nfs/dbraw/zinc/13/36/87/969133687.db2.gz YTUZMXUQQAJENB-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Nc1cc(Cl)[nH+]c(NCc2ccccc2N)c1 ZINC001155982619 969141351 /nfs/dbraw/zinc/14/13/51/969141351.db2.gz AAHVOMRVFFOJAW-UHFFFAOYSA-N 1 2 248.717 2.512 20 0 BFADLO Cc1cc(-c2ccc(F)c(C(N)=O)c2)cc(C)[nH+]1 ZINC001241992961 969157123 /nfs/dbraw/zinc/15/71/23/969157123.db2.gz AAWSOYLHZUYTJA-UHFFFAOYSA-N 1 2 244.269 2.603 20 0 BFADLO Sc1ccccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242021003 969174914 /nfs/dbraw/zinc/17/49/14/969174914.db2.gz AAKHHBXBIXIYFA-MNOVXSKESA-N 1 2 217.337 2.883 20 0 BFADLO OC[C@@H]1CCC(F)(F)C[N@@H+]1CCC1CCCC1 ZINC001208690270 969196704 /nfs/dbraw/zinc/19/67/04/969196704.db2.gz FKNMNVBOYDNVAO-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@@H]1CCC(F)(F)C[N@H+]1CCC1CCCC1 ZINC001208690270 969196709 /nfs/dbraw/zinc/19/67/09/969196709.db2.gz FKNMNVBOYDNVAO-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO CCCCC[C@H](O)C[N@H+](C)Cc1cscn1 ZINC001253535622 969207607 /nfs/dbraw/zinc/20/76/07/969207607.db2.gz MVNFTZUUPHSWCU-LBPRGKRZSA-N 1 2 242.388 2.516 20 0 BFADLO CCCCC[C@H](O)C[N@@H+](C)Cc1cscn1 ZINC001253535622 969207613 /nfs/dbraw/zinc/20/76/13/969207613.db2.gz MVNFTZUUPHSWCU-LBPRGKRZSA-N 1 2 242.388 2.516 20 0 BFADLO FC1C[NH+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208907052 969295142 /nfs/dbraw/zinc/29/51/42/969295142.db2.gz DCVNNLRLJKQTEY-UHFFFAOYSA-N 1 2 248.345 2.557 20 0 BFADLO O=C1C[N@H+](C2CCC(F)(F)CC2)CCC[C@H]1F ZINC001254218454 969542883 /nfs/dbraw/zinc/54/28/83/969542883.db2.gz HRWYELGKZIEPPJ-SNVBAGLBSA-N 1 2 249.276 2.567 20 0 BFADLO O=C1C[N@@H+](C2CCC(F)(F)CC2)CCC[C@H]1F ZINC001254218454 969542891 /nfs/dbraw/zinc/54/28/91/969542891.db2.gz HRWYELGKZIEPPJ-SNVBAGLBSA-N 1 2 249.276 2.567 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC001209574478 969556645 /nfs/dbraw/zinc/55/66/45/969556645.db2.gz NMVJPTZZBMOWRC-LBPRGKRZSA-N 1 2 229.327 2.701 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)[nH]1 ZINC001209574478 969556648 /nfs/dbraw/zinc/55/66/48/969556648.db2.gz NMVJPTZZBMOWRC-LBPRGKRZSA-N 1 2 229.327 2.701 20 0 BFADLO CCC[C@H](CCc1ccccc1)[NH2+]CC(=O)OC ZINC001254485945 969652798 /nfs/dbraw/zinc/65/27/98/969652798.db2.gz OMGLDPREESKGJX-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO CCc1nccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209844889 969653664 /nfs/dbraw/zinc/65/36/64/969653664.db2.gz RCVYJMFKBXWQEL-UHFFFAOYSA-N 1 2 239.282 2.659 20 0 BFADLO Cc1ccc(Nc2ccc(F)c(CO)c2)[nH+]c1 ZINC001209872575 969672805 /nfs/dbraw/zinc/67/28/05/969672805.db2.gz GBAMQZIBYPIONA-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO C[C@H](Nc1cc2cc[nH]c2c[nH+]1)c1cnccn1 ZINC001169521033 969706196 /nfs/dbraw/zinc/70/61/96/969706196.db2.gz OGLSMEOEEZWKFR-VIFPVBQESA-N 1 2 239.282 2.526 20 0 BFADLO CCC/C=C/c1ccn2cc(N)[nH+]c2c1 ZINC001242254914 969713518 /nfs/dbraw/zinc/71/35/18/969713518.db2.gz KDEJJTSYBJKQHL-SNAWJCMRSA-N 1 2 201.273 2.730 20 0 BFADLO Cc1cc(Nc2[nH+]cc(O)cc2C)ccc1O ZINC001209975374 969742980 /nfs/dbraw/zinc/74/29/80/969742980.db2.gz SQPBFPLRBRQQMW-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO c1coc(Nc2ccc3c[nH+]ccc3c2)n1 ZINC001210043922 969773965 /nfs/dbraw/zinc/77/39/65/969773965.db2.gz LMOAPQIANNXOQH-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO O[C@@H]1c2ccccc2CC[C@@H]1Nc1cccc[nH+]1 ZINC001169612888 969792993 /nfs/dbraw/zinc/79/29/93/969792993.db2.gz IZVFEYHQSBAWOT-DZGCQCFKSA-N 1 2 240.306 2.542 20 0 BFADLO CC[C@@H](C)C[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210207905 969818205 /nfs/dbraw/zinc/81/82/05/969818205.db2.gz PFHCMGPXONTTOL-ZIAGYGMSSA-N 1 2 243.391 2.550 20 0 BFADLO CCCCC[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210208921 969831799 /nfs/dbraw/zinc/83/17/99/969831799.db2.gz WKMGATLIJLHGSP-CQSZACIVSA-N 1 2 243.391 2.694 20 0 BFADLO CCCC[C@H](CCC)OCC[NH+]1CCOCC1 ZINC001210225499 969839034 /nfs/dbraw/zinc/83/90/34/969839034.db2.gz SXQADTNDVGONKX-AWEZNQCLSA-N 1 2 243.391 2.694 20 0 BFADLO Cc1[nH+]cc(Nc2cc(C(C)C)no2)cc1N ZINC001210286220 969853902 /nfs/dbraw/zinc/85/39/02/969853902.db2.gz YICAMCYTBSXNNJ-UHFFFAOYSA-N 1 2 232.287 2.827 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnc(C)c(N)c1 ZINC001210288986 969856012 /nfs/dbraw/zinc/85/60/12/969856012.db2.gz ZBZTVJJTAUGADJ-UHFFFAOYSA-N 1 2 242.326 2.982 20 0 BFADLO Cc1[nH+]cc(Nc2cccc([C@@H](C)O)c2)cc1N ZINC001210288908 969856330 /nfs/dbraw/zinc/85/63/30/969856330.db2.gz WVQDAXLBQWJEPJ-SNVBAGLBSA-N 1 2 243.310 2.769 20 0 BFADLO Cc1[nH+]cc(Nc2ccc(F)cc2O)cc1N ZINC001210287804 969856366 /nfs/dbraw/zinc/85/63/66/969856366.db2.gz AJEITSSLLYAOST-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO COc1cc(Nc2c[nH+]c(C)c(N)c2)ccc1F ZINC001210287934 969856868 /nfs/dbraw/zinc/85/68/68/969856868.db2.gz HOQFFJTZHRXTSI-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COCc1cccc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210289453 969857601 /nfs/dbraw/zinc/85/76/01/969857601.db2.gz MFKVESMPKPVQCI-UHFFFAOYSA-N 1 2 243.310 2.862 20 0 BFADLO CC(=O)c1ccccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288482 969858116 /nfs/dbraw/zinc/85/81/16/969858116.db2.gz QMZFDXIEDUZECN-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO COc1cc(F)cc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210289552 969858675 /nfs/dbraw/zinc/85/86/75/969858675.db2.gz QWFWPJIJVBZQHB-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH+]cc(Nc2c(N)cccc2Cl)cc1N ZINC001210290408 969858724 /nfs/dbraw/zinc/85/87/24/969858724.db2.gz LKRIFBXFCKVWKX-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO CCc1ccc(N)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210292989 969858843 /nfs/dbraw/zinc/85/88/43/969858843.db2.gz DEPAFZNHQKGHNS-UHFFFAOYSA-N 1 2 242.326 2.860 20 0 BFADLO Cc1cccc(CO)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210291583 969859892 /nfs/dbraw/zinc/85/98/92/969859892.db2.gz OGGQMJCIQOQGIO-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1[nH+]cc(Nc2cc(Cl)ccc2N)cc1N ZINC001210291301 969860590 /nfs/dbraw/zinc/86/05/90/969860590.db2.gz ZISWAOCSDNALLL-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(N(C)C)c2)c(C)c1 ZINC001210472557 969899780 /nfs/dbraw/zinc/89/97/80/969899780.db2.gz MDLIOTVZGAZWMS-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1cc(-c2cccc(Cl)c2O)c[nH+]c1N ZINC001242367080 969902761 /nfs/dbraw/zinc/90/27/61/969902761.db2.gz IHWIABFKNMIZTA-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO COc1cc(Nc2ccnn2C(C)C)cc(C)[nH+]1 ZINC001210517554 969920443 /nfs/dbraw/zinc/92/04/43/969920443.db2.gz YDLXBJFAJWQKIP-UHFFFAOYSA-N 1 2 246.314 2.920 20 0 BFADLO Cc1oncc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001242603164 970011579 /nfs/dbraw/zinc/01/15/79/970011579.db2.gz SLBUGTAMAWOGSW-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO CC(=O)c1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001242610049 970016144 /nfs/dbraw/zinc/01/61/44/970016144.db2.gz ZCOBLWNQFIFYFC-UHFFFAOYSA-N 1 2 237.262 2.599 20 0 BFADLO Cc1c[nH+]c(Nc2c[nH]c3ncccc23)c(N)c1 ZINC001210939985 970077635 /nfs/dbraw/zinc/07/76/35/970077635.db2.gz GLQZCDPMTSVNAI-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO [NH2+]=CNc1nc(N2CCCC2)cc2ccccc21 ZINC001157079799 970080386 /nfs/dbraw/zinc/08/03/86/970080386.db2.gz BUELHKAZAGVTAK-UHFFFAOYSA-N 1 2 240.310 2.854 20 0 BFADLO Cc1ccc(Nc2ccc3o[nH]c(=O)c3c2)[nH+]c1 ZINC001211012877 970116498 /nfs/dbraw/zinc/11/64/98/970116498.db2.gz RLZMXGBLEOAQHC-UHFFFAOYSA-N 1 2 241.250 2.980 20 0 BFADLO COc1ccc(Nc2cc(C)cc[nH+]2)c(C)n1 ZINC001211040129 970130578 /nfs/dbraw/zinc/13/05/78/970130578.db2.gz TZSUQICYYVLPMO-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CSc1cncc(Nc2[nH+]cc(C)cc2N)c1 ZINC001211068143 970135778 /nfs/dbraw/zinc/13/57/78/970135778.db2.gz UWLZVABUZQYWKL-UHFFFAOYSA-N 1 2 246.339 2.833 20 0 BFADLO c1cn2c(cccc2Nc2cnn3ccccc23)[nH+]1 ZINC001211091068 970141799 /nfs/dbraw/zinc/14/17/99/970141799.db2.gz ABTUIXNWDDLYAG-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Oc1cc(F)c(-c2ccn3cc[nH+]c3c2)cc1F ZINC001211338296 970234935 /nfs/dbraw/zinc/23/49/35/970234935.db2.gz CAWHINOMKGNNLD-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Cc1occc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001243066289 970253158 /nfs/dbraw/zinc/25/31/58/970253158.db2.gz PRQQTGIDONTXPP-UHFFFAOYSA-N 1 2 225.251 2.836 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccon1 ZINC001213489320 970323898 /nfs/dbraw/zinc/32/38/98/970323898.db2.gz OVTZIXJMRLBHFM-UHFFFAOYSA-N 1 2 215.256 2.999 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccn(C)n1 ZINC001213488724 970327460 /nfs/dbraw/zinc/32/74/60/970327460.db2.gz BWORVFVDTHFVOV-UHFFFAOYSA-N 1 2 228.299 2.745 20 0 BFADLO CCc1cc(Nc2c[nH+]c(C)cc2C)on1 ZINC001213508500 970329606 /nfs/dbraw/zinc/32/96/06/970329606.db2.gz VBFMQOSIQQXEJB-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO Cc1cnc(C)c(Nc2c[nH+]c(C)cc2C)n1 ZINC001213503668 970330147 /nfs/dbraw/zinc/33/01/47/970330147.db2.gz RRNZUJDSARLXCT-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CSc1nccc(Nc2c[nH+]c(C)cc2C)n1 ZINC001213503369 970332148 /nfs/dbraw/zinc/33/21/48/970332148.db2.gz BHOWIELEOSUXBT-UHFFFAOYSA-N 1 2 246.339 2.954 20 0 BFADLO Cc1cc(C)c(Nc2ccnnc2Cl)c[nH+]1 ZINC001213508571 970332849 /nfs/dbraw/zinc/33/28/49/970332849.db2.gz WQHOZNQEFQHFAL-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc(C)c(Nc2sccc2C(N)=O)c[nH+]1 ZINC001213505490 970335825 /nfs/dbraw/zinc/33/58/25/970335825.db2.gz HJTBWNVZXYAKPZ-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO Cc1cc(Nc2c[nH+]cc(C)c2C)nc(C)n1 ZINC001213520948 970337326 /nfs/dbraw/zinc/33/73/26/970337326.db2.gz LWCOCANFKDSENZ-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]cc(Nc2ncccc2O)c1C ZINC001213522508 970338321 /nfs/dbraw/zinc/33/83/21/970338321.db2.gz AYQOJZHLVSTYOY-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1c[nH+]cc(Nc2nccs2)c1C ZINC001213520502 970339426 /nfs/dbraw/zinc/33/94/26/970339426.db2.gz CLQVQUHTBQRSTB-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CSc1cc(Nc2c[nH+]cc(C)c2C)n(C)n1 ZINC001213527338 970345366 /nfs/dbraw/zinc/34/53/66/970345366.db2.gz GTFGFQNSQMQVKZ-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO COc1cc(Nc2c[nH+]cc(C)c2C)ccn1 ZINC001213523601 970345491 /nfs/dbraw/zinc/34/54/91/970345491.db2.gz WABGMEYLYHMQCQ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1nocc1Nc1c[nH+]cc(C)c1C ZINC001213527233 970348915 /nfs/dbraw/zinc/34/89/15/970348915.db2.gz DEPNKBKXFXRDFR-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1ncc(Nc2c[nH+]cc(C)c2C)c(C)n1 ZINC001213527673 970350132 /nfs/dbraw/zinc/35/01/32/970350132.db2.gz YEDHLPPDYNWLAG-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1c[nH+]cc(Nc2ncccc2N(C)C)c1C ZINC001213528900 970354534 /nfs/dbraw/zinc/35/45/34/970354534.db2.gz QSEZKGHNSRGORS-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1ccc(Nc2cccn3cc[nH+]c23)c(N)c1 ZINC001214177986 970447549 /nfs/dbraw/zinc/44/75/49/970447549.db2.gz RATOALWGJIQEIV-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1ccc(Nc2[nH+]c(C)ccc2O)c(N)c1 ZINC001214177990 970453843 /nfs/dbraw/zinc/45/38/43/970453843.db2.gz RDWJYFOHCBQBSJ-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001255841041 970513223 /nfs/dbraw/zinc/51/32/23/970513223.db2.gz BDVLYHYNZHGMFZ-NWDGAFQWSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001255841041 970513233 /nfs/dbraw/zinc/51/32/33/970513233.db2.gz BDVLYHYNZHGMFZ-NWDGAFQWSA-N 1 2 249.329 2.668 20 0 BFADLO CN(C)c1ccc([NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400602328 970609555 /nfs/dbraw/zinc/60/95/55/970609555.db2.gz TXWVMXBYBQEICV-GFCCVEGCSA-N 1 2 234.343 2.591 20 0 BFADLO CCCCC[C@H](C)OCc1c[nH+]cn1C ZINC001222595400 972598922 /nfs/dbraw/zinc/59/89/22/972598922.db2.gz YVSIGYILTJVBRM-NSHDSACASA-N 1 2 210.321 2.906 20 0 BFADLO COc1ccc(O)cc1-c1cccc2[nH+]ccn21 ZINC001222629607 972613381 /nfs/dbraw/zinc/61/33/81/972613381.db2.gz ZKQCGYBLIGGSFT-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@@H]2CCC2CCCC2)[nH]1 ZINC001327544976 972623978 /nfs/dbraw/zinc/62/39/78/972623978.db2.gz CKJMDMOWOTZRIP-CYBMUJFWSA-N 1 2 248.374 2.740 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)[nH]1 ZINC001327544976 972623986 /nfs/dbraw/zinc/62/39/86/972623986.db2.gz CKJMDMOWOTZRIP-CYBMUJFWSA-N 1 2 248.374 2.740 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)[nH]1 ZINC001327561055 972635331 /nfs/dbraw/zinc/63/53/31/972635331.db2.gz AYZXZWMBCURCNN-CYBMUJFWSA-N 1 2 248.374 2.597 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)[nH]1 ZINC001327561055 972635340 /nfs/dbraw/zinc/63/53/40/972635340.db2.gz AYZXZWMBCURCNN-CYBMUJFWSA-N 1 2 248.374 2.597 20 0 BFADLO Cc1ccc(N[C@H]2CCCn3nccc32)c(C)[nH+]1 ZINC001327595112 972655434 /nfs/dbraw/zinc/65/54/34/972655434.db2.gz HQLHMCHCIXVSNK-ZDUSSCGKSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1cc(CNc2c[nH+]cc3c2CCCC3)[nH]n1 ZINC001327930477 972815388 /nfs/dbraw/zinc/81/53/88/972815388.db2.gz NSQNAGGIYZJILV-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO CCCC[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144542366 972860592 /nfs/dbraw/zinc/86/05/92/972860592.db2.gz VBRBRWZFAMTDPS-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO CCCC[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144542366 972860598 /nfs/dbraw/zinc/86/05/98/972860598.db2.gz VBRBRWZFAMTDPS-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO CCC[N@H+](CC)Cc1c(F)cc(O)cc1F ZINC001144541165 972860726 /nfs/dbraw/zinc/86/07/26/972860726.db2.gz CPZJRYZVRQHXOH-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO CCC[N@@H+](CC)Cc1c(F)cc(O)cc1F ZINC001144541165 972860729 /nfs/dbraw/zinc/86/07/29/972860729.db2.gz CPZJRYZVRQHXOH-UHFFFAOYSA-N 1 2 229.270 2.902 20 0 BFADLO C[N@H+](CCC1CC1)Cc1c(F)cc(O)cc1F ZINC001144558937 972868980 /nfs/dbraw/zinc/86/89/80/972868980.db2.gz GICOUTBEPYRZHZ-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1c(F)cc(O)cc1F ZINC001144558937 972868986 /nfs/dbraw/zinc/86/89/86/972868986.db2.gz GICOUTBEPYRZHZ-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO F[C@@H]1C[NH+](Cc2cccc3cc[nH]c32)C[C@H]1F ZINC001144709742 972962914 /nfs/dbraw/zinc/96/29/14/972962914.db2.gz GJIIMHOMYTZZCU-VXGBXAGGSA-N 1 2 236.265 2.660 20 0 BFADLO Cc1cc(CO[C@@H]2CCn3ccnc32)cc(C)[nH+]1 ZINC001223421224 973053511 /nfs/dbraw/zinc/05/35/11/973053511.db2.gz PEVGCHSWJHQVJZ-CYBMUJFWSA-N 1 2 243.310 2.557 20 0 BFADLO CCCCC[C@H]1CCCC[N@@H+]1Cc1nnc[nH]1 ZINC001328438464 973058254 /nfs/dbraw/zinc/05/82/54/973058254.db2.gz YWSWOVMKNFUIFO-LBPRGKRZSA-N 1 2 236.363 2.740 20 0 BFADLO CCCCC[C@H]1CCCC[N@H+]1Cc1nnc[nH]1 ZINC001328438464 973058269 /nfs/dbraw/zinc/05/82/69/973058269.db2.gz YWSWOVMKNFUIFO-LBPRGKRZSA-N 1 2 236.363 2.740 20 0 BFADLO CCC(=O)[C@H](CC)OCc1cc(C)[nH+]c(C)c1 ZINC001223426094 973065609 /nfs/dbraw/zinc/06/56/09/973065609.db2.gz YJZDCWASCUOECD-AWEZNQCLSA-N 1 2 235.327 2.973 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246837041 973142228 /nfs/dbraw/zinc/14/22/28/973142228.db2.gz PCQMZKRSBAUBCN-QJPTWQEYSA-N 1 2 248.361 2.870 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246837041 973142238 /nfs/dbraw/zinc/14/22/38/973142238.db2.gz PCQMZKRSBAUBCN-QJPTWQEYSA-N 1 2 248.361 2.870 20 0 BFADLO C/C(=C\c1nnc(C[NH+](C)C)o1)c1cccs1 ZINC001329149239 973511250 /nfs/dbraw/zinc/51/12/50/973511250.db2.gz UNVFPNSIGQLWKB-VQHVLOKHSA-N 1 2 249.339 2.753 20 0 BFADLO C[NH+](C)Cc1nnc([C@@H]2CCCC[C@H]2C2CC2)o1 ZINC001329146272 973515515 /nfs/dbraw/zinc/51/55/15/973515515.db2.gz HETWTVVAPPELGO-NWDGAFQWSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cccc2c1CC[C@@H]([N@@H+]1CCCC(=O)C1)C2 ZINC001171570631 974102973 /nfs/dbraw/zinc/10/29/73/974102973.db2.gz MROYPELCSMNOAS-CQSZACIVSA-N 1 2 243.350 2.517 20 0 BFADLO Cc1cccc2c1CC[C@@H]([N@H+]1CCCC(=O)C1)C2 ZINC001171570631 974102983 /nfs/dbraw/zinc/10/29/83/974102983.db2.gz MROYPELCSMNOAS-CQSZACIVSA-N 1 2 243.350 2.517 20 0 BFADLO C[NH+]1C(C)(C)CC([NH2+]C2=CC=C[CH]2)CC1(C)C ZINC001171625318 974121331 /nfs/dbraw/zinc/12/13/31/974121331.db2.gz HBOWEQRLOTYVIT-UHFFFAOYSA-N 1 2 233.379 2.885 20 0 BFADLO Cc1ccc(CC[C@@H](C)[N@@H+]2CCC(=O)C2)cc1 ZINC001171680388 974136616 /nfs/dbraw/zinc/13/66/16/974136616.db2.gz QRAZEIGDOBZPPF-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[C@@H](C)[N@H+]2CCC(=O)C2)cc1 ZINC001171680388 974136621 /nfs/dbraw/zinc/13/66/21/974136621.db2.gz QRAZEIGDOBZPPF-CYBMUJFWSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[C@@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001171681239 974136883 /nfs/dbraw/zinc/13/68/83/974136883.db2.gz ZFUBWBPNMZXTGZ-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CC[C@@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001171681239 974136896 /nfs/dbraw/zinc/13/68/96/974136896.db2.gz ZFUBWBPNMZXTGZ-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO CCOc1ccccc1OC1C[NH+](C(C)C)C1 ZINC001225211976 974237380 /nfs/dbraw/zinc/23/73/80/974237380.db2.gz CHKOETLEVQGQEQ-UHFFFAOYSA-N 1 2 235.327 2.557 20 0 BFADLO CCCC(=O)[C@H](CCC)Oc1cc[nH+]cc1 ZINC001225290576 974360937 /nfs/dbraw/zinc/36/09/37/974360937.db2.gz BFCCSEMFWPQVSS-ZDUSSCGKSA-N 1 2 221.300 2.998 20 0 BFADLO c1cc(OC[C@@H]2CC[C@@]3(CCCCO3)O2)cc[nH+]1 ZINC001225290660 974363232 /nfs/dbraw/zinc/36/32/32/974363232.db2.gz FBTFSRVWCSIVSB-UONOGXRCSA-N 1 2 249.310 2.536 20 0 BFADLO CC1(C)CC(=O)CC[C@H]1Oc1cc[nH+]cc1 ZINC001225291832 974366370 /nfs/dbraw/zinc/36/63/70/974366370.db2.gz ZILMBSZPBLBCFB-GFCCVEGCSA-N 1 2 219.284 2.608 20 0 BFADLO COC(=O)C[C@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225294414 974368384 /nfs/dbraw/zinc/36/83/84/974368384.db2.gz JSPBFHYIPITNTI-WCQYABFASA-N 1 2 249.310 2.582 20 0 BFADLO C[C@H](Cc1ccco1)Oc1cc[nH+]cc1 ZINC001225296256 974373705 /nfs/dbraw/zinc/37/37/05/974373705.db2.gz SRLVEKCEFJWLEC-SNVBAGLBSA-N 1 2 203.241 2.685 20 0 BFADLO Cn1nc(C[N@@H+]2CCC23CCCC3)cc1Cl ZINC001331606099 974775088 /nfs/dbraw/zinc/77/50/88/974775088.db2.gz FEYLLOOYEJVAPF-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO Cn1nc(C[N@H+]2CCC23CCCC3)cc1Cl ZINC001331606099 974775095 /nfs/dbraw/zinc/77/50/95/974775095.db2.gz FEYLLOOYEJVAPF-UHFFFAOYSA-N 1 2 239.750 2.592 20 0 BFADLO CC(C)OCCCn1c[nH+]c(C(C)(C)C)c1 ZINC001331945327 974882567 /nfs/dbraw/zinc/88/25/67/974882567.db2.gz HFYGIEQGZRZIRW-UHFFFAOYSA-N 1 2 224.348 2.996 20 0 BFADLO CC[NH+]1CC(Oc2ccc3sc(C)nc3c2)C1 ZINC001226470822 974920394 /nfs/dbraw/zinc/92/03/94/974920394.db2.gz CRYONEMSOVLDAF-UHFFFAOYSA-N 1 2 248.351 2.688 20 0 BFADLO Cc1nocc1Nc1ccc2c(c1)[nH+]cn2C ZINC001212722891 975274913 /nfs/dbraw/zinc/27/49/13/975274913.db2.gz IWUUEPLTYZFLQR-UHFFFAOYSA-N 1 2 228.255 2.613 20 0 BFADLO Cc1cc(C)c(OC2C[NH+](C)C2)c2ncccc12 ZINC001227111552 975280892 /nfs/dbraw/zinc/28/08/92/975280892.db2.gz NQRPYNVFYCPZQW-UHFFFAOYSA-N 1 2 242.322 2.544 20 0 BFADLO CC[C@@H](COc1c(C)cc[nH+]c1C)OC ZINC001227263767 975340745 /nfs/dbraw/zinc/34/07/45/975340745.db2.gz HZWFQUZHKRGZQP-NSHDSACASA-N 1 2 209.289 2.502 20 0 BFADLO CCCOC[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227263789 975340777 /nfs/dbraw/zinc/34/07/77/975340777.db2.gz ICVXZYVQYUQISV-LLVKDONJSA-N 1 2 223.316 2.892 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2cnccc2C1 ZINC001203345476 975365776 /nfs/dbraw/zinc/36/57/76/975365776.db2.gz AERJEUGZSZJRGA-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2cnccc2C1 ZINC001203345476 975365783 /nfs/dbraw/zinc/36/57/83/975365783.db2.gz AERJEUGZSZJRGA-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO CC[C@@H](CC(C)C)c1nnc(C[NH+](C)C)o1 ZINC001333121711 975454767 /nfs/dbraw/zinc/45/47/67/975454767.db2.gz MPCNQOFTWZSPPI-JTQLQIEISA-N 1 2 225.336 2.671 20 0 BFADLO Cc1ccc(O)c(Nc2ccccc2)[nH+]1 ZINC001173790842 975609832 /nfs/dbraw/zinc/60/98/32/975609832.db2.gz ANCNKCCRBOXETH-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO Cc1ccc([N@H+]2C(=N)C=C(Cl)C=C2N)cc1 ZINC001173801985 975675498 /nfs/dbraw/zinc/67/54/98/975675498.db2.gz LLMFKEIPJMFPKL-UHFFFAOYSA-N 1 2 233.702 2.501 20 0 BFADLO Cc1ccc([N@@H+]2C(=N)C=C(Cl)C=C2N)cc1 ZINC001173801985 975675512 /nfs/dbraw/zinc/67/55/12/975675512.db2.gz LLMFKEIPJMFPKL-UHFFFAOYSA-N 1 2 233.702 2.501 20 0 BFADLO COc1ccc(OC2C[NH+](C)C2)c2ccccc12 ZINC001227758043 975675890 /nfs/dbraw/zinc/67/58/90/975675890.db2.gz MEWYXNJYZQSAIE-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO COc1ccc(Nc2ccc(N(C)C)[nH+]c2)cc1 ZINC001173805193 975694516 /nfs/dbraw/zinc/69/45/16/975694516.db2.gz IGJRMTZUSCOWLL-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(F)c1 ZINC001173833292 975856458 /nfs/dbraw/zinc/85/64/58/975856458.db2.gz SFEBVFGYOIOBDJ-UHFFFAOYSA-N 1 2 218.231 2.973 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc2c(c1)OCCO2 ZINC001173876126 975909229 /nfs/dbraw/zinc/90/92/29/975909229.db2.gz LHHLCYFOXDSGFA-UHFFFAOYSA-N 1 2 242.278 2.905 20 0 BFADLO CCc1cc(NCc2cc(C)on2)nc(CC)[nH+]1 ZINC001333680937 975987898 /nfs/dbraw/zinc/98/78/98/975987898.db2.gz CVTJKLHRSRGPFU-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCO[C@H](C)COc1ccc2[nH]c(C)[nH+]c2c1 ZINC001228328634 976124013 /nfs/dbraw/zinc/12/40/13/976124013.db2.gz HQWCZLIKIVSSNO-SECBINFHSA-N 1 2 234.299 2.675 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3CCOC[C@H]3C)cc2[nH+]1 ZINC001228329595 976130434 /nfs/dbraw/zinc/13/04/34/976130434.db2.gz ONMOOIYBDXZDKA-YMTOWFKASA-N 1 2 246.310 2.675 20 0 BFADLO Cc1[nH]c2ccc(O[C@@H]3CCOC[C@@H]3C)cc2[nH+]1 ZINC001228329592 976130693 /nfs/dbraw/zinc/13/06/93/976130693.db2.gz ONMOOIYBDXZDKA-LKFCYVNXSA-N 1 2 246.310 2.675 20 0 BFADLO Cc1ccc(OC2C[NH+](C(C)(C)C)C2)c(F)c1 ZINC001228381565 976172639 /nfs/dbraw/zinc/17/26/39/976172639.db2.gz XRCUKHYAMOVTQU-UHFFFAOYSA-N 1 2 237.318 2.996 20 0 BFADLO Cc1ccc(Nc2ccc(C(N)=O)cc2)c(C)[nH+]1 ZINC001174047655 976273672 /nfs/dbraw/zinc/27/36/72/976273672.db2.gz ZOTBLDVPGNJRJR-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO COc1cncc(Nc2cc[nH+]c(SC)c2)c1 ZINC001174090026 976357249 /nfs/dbraw/zinc/35/72/49/976357249.db2.gz HELFKYRWMKIGBZ-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COc1cc[nH+]c(Nc2ccc(F)cc2OC)c1 ZINC001174127983 976362599 /nfs/dbraw/zinc/36/25/99/976362599.db2.gz HKKCWRAULXAMJV-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO CC[C@@H](NCc1c[nH+]cn1C(C)C)C(F)(F)F ZINC001204137640 976380583 /nfs/dbraw/zinc/38/05/83/976380583.db2.gz ZGASBGIAUPVLPU-SNVBAGLBSA-N 1 2 249.280 2.895 20 0 BFADLO CCOc1cc(Nc2c(C)n[nH]c2C)cc(C)[nH+]1 ZINC001174215782 976401734 /nfs/dbraw/zinc/40/17/34/976401734.db2.gz NKLMNLFOXFCECR-UHFFFAOYSA-N 1 2 246.314 2.872 20 0 BFADLO COc1cc([C@@H](C)Nc2ccc(C)[nH+]c2C)on1 ZINC001334391754 976487820 /nfs/dbraw/zinc/48/78/20/976487820.db2.gz YMMIIWRMRKCUFR-SNVBAGLBSA-N 1 2 247.298 2.868 20 0 BFADLO COc1cc(Nc2c[nH+]c(C)cc2C)ccn1 ZINC001174303102 976492069 /nfs/dbraw/zinc/49/20/69/976492069.db2.gz IKGIVAOUARTRHO-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO c1cn2c(cccc2Nc2cccc3n[nH]cc32)[nH+]1 ZINC001174342525 976564418 /nfs/dbraw/zinc/56/44/18/976564418.db2.gz QMWYITIAXSZJIG-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1ccc(Nc2cnc3[nH]ccc3c2)[nH+]c1 ZINC001174394405 976586943 /nfs/dbraw/zinc/58/69/43/976586943.db2.gz KAIOUDCQQJFFKK-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO Cc1c[nH+]c(Nc2ccnc3[nH]ccc32)c(N)c1 ZINC001174408984 976699141 /nfs/dbraw/zinc/69/91/41/976699141.db2.gz VLPKVXYGXIZPEB-UHFFFAOYSA-N 1 2 239.282 2.544 20 0 BFADLO OCc1ccccc1Nc1cc[nH+]c2[nH]ccc21 ZINC001174410964 976707326 /nfs/dbraw/zinc/70/73/26/976707326.db2.gz AYPMEHLEKBSAHT-UHFFFAOYSA-N 1 2 239.278 2.750 20 0 BFADLO c1cn2cccc(Nc3ccc4cn[nH]c4c3)c2[nH+]1 ZINC001174498057 976722104 /nfs/dbraw/zinc/72/21/04/976722104.db2.gz SEJQOJDRWLLHRK-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO c1cn2cccc(Nc3ccc4c[nH]nc4c3)c2[nH+]1 ZINC001174498057 976722120 /nfs/dbraw/zinc/72/21/20/976722120.db2.gz SEJQOJDRWLLHRK-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1n[nH]cc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001174474173 976785323 /nfs/dbraw/zinc/78/53/23/976785323.db2.gz ZVAFHOUAWYHRKH-UHFFFAOYSA-N 1 2 239.282 2.647 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2c[nH]nc2C)cc1 ZINC001174475885 976791621 /nfs/dbraw/zinc/79/16/21/976791621.db2.gz PXGFIDABYNHQTN-UHFFFAOYSA-N 1 2 230.315 2.918 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2c[nH]nc2C)cc1 ZINC001174475885 976791632 /nfs/dbraw/zinc/79/16/32/976791632.db2.gz PXGFIDABYNHQTN-UHFFFAOYSA-N 1 2 230.315 2.918 20 0 BFADLO CN(C)c1ccc(Nc2cc(F)ccc2O)c[nH+]1 ZINC001174627466 976897065 /nfs/dbraw/zinc/89/70/65/976897065.db2.gz WKKYGAOUCUYBHE-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO c1cn(-c2ccc(OC3CCC3)cc2)c[nH+]1 ZINC001229952153 977035483 /nfs/dbraw/zinc/03/54/83/977035483.db2.gz YYRGTIUUOVJDHF-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CCO[C@H](C)COc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954096 977037945 /nfs/dbraw/zinc/03/79/45/977037945.db2.gz IQDAKAUBXYAJSY-GFCCVEGCSA-N 1 2 246.310 2.676 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc2cc[nH]c2c1 ZINC001174746364 977041581 /nfs/dbraw/zinc/04/15/81/977041581.db2.gz CLDPVKOKVAETCO-UHFFFAOYSA-N 1 2 224.267 2.889 20 0 BFADLO Cc1cc[nH+]c(Nc2cccc(O)c2)c1 ZINC001174888074 977118992 /nfs/dbraw/zinc/11/89/92/977118992.db2.gz SLMSTBFZQLJPFY-UHFFFAOYSA-N 1 2 200.241 2.839 20 0 BFADLO Cc1cc(C)cc(C[N@@H+]2CCn3nccc3C2)c1 ZINC001174863348 977129815 /nfs/dbraw/zinc/12/98/15/977129815.db2.gz MFCRDWQJNPNFHM-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(C)cc(C[N@H+]2CCn3nccc3C2)c1 ZINC001174863348 977129824 /nfs/dbraw/zinc/12/98/24/977129824.db2.gz MFCRDWQJNPNFHM-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2c(c1)OCO2 ZINC001174860957 977132192 /nfs/dbraw/zinc/13/21/92/977132192.db2.gz AKNSETHPGBFZCW-UHFFFAOYSA-N 1 2 244.250 2.568 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc(N(C)C)c1 ZINC001174960434 977187249 /nfs/dbraw/zinc/18/72/49/977187249.db2.gz AWPSOBMQNKOKFG-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CCOc1cc(Nc2[nH+]cccc2N)ccc1F ZINC001175049149 977246100 /nfs/dbraw/zinc/24/61/00/977246100.db2.gz ZWYPMMGTUZOGCB-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2CCO)ccc1F ZINC001175253194 977331934 /nfs/dbraw/zinc/33/19/34/977331934.db2.gz QRIFLYHIKDEOJF-UHFFFAOYSA-N 1 2 246.285 2.808 20 0 BFADLO Cc1ccc(F)c(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175342207 977366551 /nfs/dbraw/zinc/36/65/51/977366551.db2.gz PSPXJXSXODUOCR-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO CC[C@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920665 977384451 /nfs/dbraw/zinc/38/44/51/977384451.db2.gz PWBLPHGYZGJAGA-VIFPVBQESA-N 1 2 219.284 2.545 20 0 BFADLO CCCc1cc(Nc2ccc(N(C)C)[nH+]c2)on1 ZINC001175338893 977385609 /nfs/dbraw/zinc/38/56/09/977385609.db2.gz QDVLJQUZHGMEBV-UHFFFAOYSA-N 1 2 246.314 2.832 20 0 BFADLO CN(C)c1ccc(Nc2ncccc2Cl)c[nH+]1 ZINC001175340537 977387623 /nfs/dbraw/zinc/38/76/23/977387623.db2.gz KFBVKKLKLWCZJI-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO COc1ncc(Nc2cccn3cc[nH+]c23)s1 ZINC001175387488 977406607 /nfs/dbraw/zinc/40/66/07/977406607.db2.gz YOYGRAJKHPDJAG-UHFFFAOYSA-N 1 2 246.295 2.543 20 0 BFADLO CCOC[C@H](C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231082486 977469186 /nfs/dbraw/zinc/46/91/86/977469186.db2.gz WDQGOSQPIPBADG-NSHDSACASA-N 1 2 246.310 2.881 20 0 BFADLO C[NH+]1CC(Oc2cnc3cccc(Cl)c3c2)C1 ZINC001231146581 977509023 /nfs/dbraw/zinc/50/90/23/977509023.db2.gz PCDOCIKSSSNNTF-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCOc1ncc(Nc2cc(C)cc(C)[nH+]2)cn1 ZINC001175554003 977532998 /nfs/dbraw/zinc/53/29/98/977532998.db2.gz RUPDRTZZGOTQMW-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO COc1cc(Nc2ccc(CO)cc2)cc(C)[nH+]1 ZINC001175561877 977543823 /nfs/dbraw/zinc/54/38/23/977543823.db2.gz AIHUBZVFAJEQNY-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO CC(=O)c1ccc(NC2=CCC[N@H+](C)C2)c(F)c1 ZINC001175578074 977599983 /nfs/dbraw/zinc/59/99/83/977599983.db2.gz CJXHJZGOUDTDKN-UHFFFAOYSA-N 1 2 248.301 2.660 20 0 BFADLO CC(=O)c1ccc(NC2=CCC[N@@H+](C)C2)c(F)c1 ZINC001175578074 977599976 /nfs/dbraw/zinc/59/99/76/977599976.db2.gz CJXHJZGOUDTDKN-UHFFFAOYSA-N 1 2 248.301 2.660 20 0 BFADLO CSc1ccccc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001231782079 977733282 /nfs/dbraw/zinc/73/32/82/977733282.db2.gz FKCXDJYOZNNVNK-LLVKDONJSA-N 1 2 249.379 2.962 20 0 BFADLO CSc1ccccc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001231782079 977733289 /nfs/dbraw/zinc/73/32/89/977733289.db2.gz FKCXDJYOZNNVNK-LLVKDONJSA-N 1 2 249.379 2.962 20 0 BFADLO Cc1cn2c(cccc2Nc2ccc(F)cn2)[nH+]1 ZINC001175846752 977763516 /nfs/dbraw/zinc/76/35/16/977763516.db2.gz PVBZKFPAYSDAFD-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1cc(C)c(Nc2ccc(F)cn2)c[nH+]1 ZINC001175847722 977766548 /nfs/dbraw/zinc/76/65/48/977766548.db2.gz UNXAGGDZXHAGQF-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Fc1ccc(Nc2cccn3cc[nH+]c23)nc1 ZINC001175847394 977768169 /nfs/dbraw/zinc/76/81/69/977768169.db2.gz MJJCGDQVLBZVJO-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO Cn1c[nH+]c2cc(Nc3ccc(F)cn3)ccc21 ZINC001175850221 977783271 /nfs/dbraw/zinc/78/32/71/977783271.db2.gz CVJQNXJVPWBITJ-UHFFFAOYSA-N 1 2 242.257 2.851 20 0 BFADLO c1cn2c(cccc2Nc2cscn2)[nH+]1 ZINC001175938029 977796560 /nfs/dbraw/zinc/79/65/60/977796560.db2.gz OGXWNKXOBFAMMR-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO COc1cc(Nc2cscn2)cc(C)[nH+]1 ZINC001175940356 977799718 /nfs/dbraw/zinc/79/97/18/977799718.db2.gz FTFZQTBZACNYGX-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO CCc1ccc(N2CC[C@@H](OC)[C@H](C)C2)[nH+]c1 ZINC001336665434 977839866 /nfs/dbraw/zinc/83/98/66/977839866.db2.gz JTMITANYVKSVRX-DGCLKSJQSA-N 1 2 234.343 2.505 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2c1OCC2 ZINC001176077532 977871992 /nfs/dbraw/zinc/87/19/92/977871992.db2.gz ZFOVBYASAQKTQH-UHFFFAOYSA-N 1 2 242.278 2.769 20 0 BFADLO Oc1cncc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001232046123 977874365 /nfs/dbraw/zinc/87/43/65/977874365.db2.gz HFOMVUVTSLCUPE-UHFFFAOYSA-N 1 2 244.294 2.545 20 0 BFADLO Oc1cncc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001232046123 977874368 /nfs/dbraw/zinc/87/43/68/977874368.db2.gz HFOMVUVTSLCUPE-UHFFFAOYSA-N 1 2 244.294 2.545 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncs2)c(C)n1 ZINC001232084594 977886104 /nfs/dbraw/zinc/88/61/04/977886104.db2.gz OEBXQDDSJZTSGB-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncs2)c(C)n1 ZINC001232084594 977886106 /nfs/dbraw/zinc/88/61/06/977886106.db2.gz OEBXQDDSJZTSGB-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO c1coc(C[N@H+](Cc2ccns2)C2CC2)c1 ZINC001232192694 977920245 /nfs/dbraw/zinc/92/02/45/977920245.db2.gz WGKVGZUXWTUFIP-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1coc(C[N@@H+](Cc2ccns2)C2CC2)c1 ZINC001232192694 977920252 /nfs/dbraw/zinc/92/02/52/977920252.db2.gz WGKVGZUXWTUFIP-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(F)c(C)c1 ZINC001176116600 977947251 /nfs/dbraw/zinc/94/72/51/977947251.db2.gz HLZWUHWERJJRTQ-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1Nc1nccnc1C(C)C ZINC001176121011 977950664 /nfs/dbraw/zinc/95/06/64/977950664.db2.gz DLZOLDPEXNYYAM-UHFFFAOYSA-N 1 2 244.298 2.747 20 0 BFADLO COc1ccc(O)c(Nc2c[nH+]ccc2OC)c1 ZINC001176121574 977955438 /nfs/dbraw/zinc/95/54/38/977955438.db2.gz YBGNKMBENIXAKU-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(O)c(C)cc1F ZINC001176123684 977956239 /nfs/dbraw/zinc/95/62/39/977956239.db2.gz CZZXJNPYSDKZDM-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2cnsc2)c1 ZINC001232227632 977958678 /nfs/dbraw/zinc/95/86/78/977958678.db2.gz QMAFTQYSGNCJEW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2cnsc2)c1 ZINC001232227632 977958687 /nfs/dbraw/zinc/95/86/87/977958687.db2.gz QMAFTQYSGNCJEW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2ccc(=O)[nH]c2)cc1 ZINC001176130981 977967587 /nfs/dbraw/zinc/96/75/87/977967587.db2.gz NFQPCSBIJYNQET-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2ccc(=O)[nH]c2)cc1 ZINC001176130981 977967590 /nfs/dbraw/zinc/96/75/90/977967590.db2.gz NFQPCSBIJYNQET-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO COc1ccc(Nc2[nH+]c(C)ccc2O)cc1O ZINC001176254416 978018319 /nfs/dbraw/zinc/01/83/19/978018319.db2.gz SBMHSRGTJWOUJP-UHFFFAOYSA-N 1 2 246.266 2.553 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1cc(C)ccc1OC(C)C ZINC001232396384 978049407 /nfs/dbraw/zinc/04/94/07/978049407.db2.gz XPHRPFBXWSOWIL-UHFFFAOYSA-N 1 2 249.354 2.803 20 0 BFADLO CC(=O)C[N@H+](C)Cc1cc(C)ccc1OC(C)C ZINC001232396384 978049420 /nfs/dbraw/zinc/04/94/20/978049420.db2.gz XPHRPFBXWSOWIL-UHFFFAOYSA-N 1 2 249.354 2.803 20 0 BFADLO Oc1ccc(Nc2cccn3cc[nH+]c23)c(F)c1 ZINC001176410689 978078624 /nfs/dbraw/zinc/07/86/24/978078624.db2.gz YSUUXBAUCZVHGV-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC001232464525 978105792 /nfs/dbraw/zinc/10/57/92/978105792.db2.gz FXPCSCFGCUOQQO-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC001232464525 978105804 /nfs/dbraw/zinc/10/58/04/978105804.db2.gz FXPCSCFGCUOQQO-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO C[C@]1(F)CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001232491065 978143315 /nfs/dbraw/zinc/14/33/15/978143315.db2.gz RYPYFWSPKPWRJV-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@]1(F)CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001232491065 978143317 /nfs/dbraw/zinc/14/33/17/978143317.db2.gz RYPYFWSPKPWRJV-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1nc2ccccc2o1 ZINC001232555327 978181237 /nfs/dbraw/zinc/18/12/37/978181237.db2.gz PYQGVINESJZBRP-NXEZZACHSA-N 1 2 234.274 2.760 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1nc2ccccc2o1 ZINC001232555327 978181242 /nfs/dbraw/zinc/18/12/42/978181242.db2.gz PYQGVINESJZBRP-NXEZZACHSA-N 1 2 234.274 2.760 20 0 BFADLO FC(F)C1C[NH+](Cc2cc3ccoc3cn2)C1 ZINC001232555303 978182232 /nfs/dbraw/zinc/18/22/32/978182232.db2.gz TVIVRPKWSIKHGP-UHFFFAOYSA-N 1 2 238.237 2.525 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CCc2ccsc2C1 ZINC001176761011 978182313 /nfs/dbraw/zinc/18/23/13/978182313.db2.gz MSZDNHTUEBWYKF-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CCc2ccsc2C1 ZINC001176761011 978182319 /nfs/dbraw/zinc/18/23/19/978182319.db2.gz MSZDNHTUEBWYKF-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO c1cc2ccc(C[N@H+]3C[C@H]4C[C@@H](C3)O4)cc2s1 ZINC001232616626 978196504 /nfs/dbraw/zinc/19/65/04/978196504.db2.gz RRJSUGVFARAQIB-BETUJISGSA-N 1 2 245.347 2.874 20 0 BFADLO c1cc2ccc(C[N@@H+]3C[C@H]4C[C@@H](C3)O4)cc2s1 ZINC001232616626 978196509 /nfs/dbraw/zinc/19/65/09/978196509.db2.gz RRJSUGVFARAQIB-BETUJISGSA-N 1 2 245.347 2.874 20 0 BFADLO Cc1cc(O)cc(C[N@@H+]2CCn3cccc3C2)c1 ZINC001232881530 978321729 /nfs/dbraw/zinc/32/17/29/978321729.db2.gz AFNMWZGLWXZDLD-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1cc(O)cc(C[N@H+]2CCn3cccc3C2)c1 ZINC001232881530 978321736 /nfs/dbraw/zinc/32/17/36/978321736.db2.gz AFNMWZGLWXZDLD-UHFFFAOYSA-N 1 2 242.322 2.518 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001232985316 978383343 /nfs/dbraw/zinc/38/33/43/978383343.db2.gz CXBXOAYGAVKROW-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ncc(F)cc1C[N@H+]1CCCC[C@H](F)C1 ZINC001232985316 978383359 /nfs/dbraw/zinc/38/33/59/978383359.db2.gz CXBXOAYGAVKROW-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO C[N@H+](Cc1cc(Cl)ncc1O)CC(C)(C)C ZINC001233034876 978422467 /nfs/dbraw/zinc/42/24/67/978422467.db2.gz QZGXPKDLDIBNCW-UHFFFAOYSA-N 1 2 242.750 2.919 20 0 BFADLO C[N@@H+](Cc1cc(Cl)ncc1O)CC(C)(C)C ZINC001233034876 978422471 /nfs/dbraw/zinc/42/24/71/978422471.db2.gz QZGXPKDLDIBNCW-UHFFFAOYSA-N 1 2 242.750 2.919 20 0 BFADLO Oc1cccc(C[NH+]2CCC(F)(F)CC2)c1F ZINC001233049535 978439197 /nfs/dbraw/zinc/43/91/97/978439197.db2.gz DXCSFYBRZVCDHX-UHFFFAOYSA-N 1 2 245.244 2.762 20 0 BFADLO C=Cc1ccc(NC(=O)[C@@H](C)n2cc[nH+]c2)cc1 ZINC001177925269 978475240 /nfs/dbraw/zinc/47/52/40/978475240.db2.gz FLJVSWSMFLVRLD-LLVKDONJSA-N 1 2 241.294 2.726 20 0 BFADLO FC(F)(F)c1cc(C[NH+]2CCC2)cs1 ZINC001233172732 978484589 /nfs/dbraw/zinc/48/45/89/978484589.db2.gz BPMVUNDNCWEMLM-UHFFFAOYSA-N 1 2 221.247 2.973 20 0 BFADLO CCc1ccc(N2CCC[C@@H](COC)C2)[nH+]c1 ZINC001337772172 978488926 /nfs/dbraw/zinc/48/89/26/978488926.db2.gz OIGIHBIYYVANBD-CYBMUJFWSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1ccc([C@H](C)N(C)c2cc(N)nc[nH+]2)cc1 ZINC001337789841 978496332 /nfs/dbraw/zinc/49/63/32/978496332.db2.gz MCFZSIVLJHGTBF-NSHDSACASA-N 1 2 242.326 2.565 20 0 BFADLO Cc1cc(F)cc(N(C)Cc2ccoc2)[nH+]1 ZINC001337803804 978504128 /nfs/dbraw/zinc/50/41/28/978504128.db2.gz VOCYVPRUCUQZCV-UHFFFAOYSA-N 1 2 220.247 2.759 20 0 BFADLO CCc1ccc(N2CCO[C@H](C(C)C)C2)[nH+]c1 ZINC001337820909 978512825 /nfs/dbraw/zinc/51/28/25/978512825.db2.gz XBUMVPJQLAGMID-ZDUSSCGKSA-N 1 2 234.343 2.505 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cccnc2C)sn1 ZINC001233313202 978541989 /nfs/dbraw/zinc/54/19/89/978541989.db2.gz KBKBOKDHGOQIRZ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cccnc2C)sn1 ZINC001233313202 978542006 /nfs/dbraw/zinc/54/20/06/978542006.db2.gz KBKBOKDHGOQIRZ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(F)cc(N2CCSC[C@@H](C)C2)[nH+]1 ZINC001337956451 978576316 /nfs/dbraw/zinc/57/63/16/978576316.db2.gz FXEZJGBQEVODRL-VIFPVBQESA-N 1 2 240.347 2.718 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1F ZINC001233396861 978596878 /nfs/dbraw/zinc/59/68/78/978596878.db2.gz ZWMYVEOBDOWZIW-KCJUWKMLSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1F ZINC001233396861 978596885 /nfs/dbraw/zinc/59/68/85/978596885.db2.gz ZWMYVEOBDOWZIW-KCJUWKMLSA-N 1 2 239.265 2.655 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c(Cl)ncnc2Cl)C1 ZINC001233408034 978597592 /nfs/dbraw/zinc/59/75/92/978597592.db2.gz ZEXACFWIIALBIM-SSDOTTSWSA-N 1 2 246.141 2.625 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c(Cl)ncnc2Cl)C1 ZINC001233408034 978597597 /nfs/dbraw/zinc/59/75/97/978597597.db2.gz ZEXACFWIIALBIM-SSDOTTSWSA-N 1 2 246.141 2.625 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)c(C)o1 ZINC001338241832 978638960 /nfs/dbraw/zinc/63/89/60/978638960.db2.gz INVJPCRCZVDWMA-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)cc(C)n1 ZINC001178860360 978640767 /nfs/dbraw/zinc/64/07/67/978640767.db2.gz ZQBINKHFZASDOC-LBPRGKRZSA-N 1 2 240.297 2.976 20 0 BFADLO CCC(CC)Cc1c[nH+]c2c(c1)OCCN2C ZINC001249928608 978698269 /nfs/dbraw/zinc/69/82/69/978698269.db2.gz PJDPHDBNRSVARH-UHFFFAOYSA-N 1 2 234.343 2.889 20 0 BFADLO CC(=O)c1cc(OC2C[NH+](C(C)C)C2)ccc1C ZINC001234317982 978819247 /nfs/dbraw/zinc/81/92/47/978819247.db2.gz WPGOPCMXVBFEHQ-UHFFFAOYSA-N 1 2 247.338 2.669 20 0 BFADLO CS[C@@H]1CC[C@@H](N(C)c2cc[nH+]c(C)n2)C1 ZINC001339511217 978861692 /nfs/dbraw/zinc/86/16/92/978861692.db2.gz COIXSJKTMKQOMS-GHMZBOCLSA-N 1 2 237.372 2.505 20 0 BFADLO CCc1ccc(N2CCC[C@@](C)(OC)C2)[nH+]c1 ZINC001339692698 978894429 /nfs/dbraw/zinc/89/44/29/978894429.db2.gz VNVVVJHXKYQHKI-CQSZACIVSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1ccc(Nc2ccc(Cl)nn2)c(C)[nH+]1 ZINC001203363908 978920081 /nfs/dbraw/zinc/92/00/81/978920081.db2.gz YVXYLQWLMVRMRJ-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO C[C@H]1CCC(F)(F)CN1c1cc[nH+]cc1F ZINC001339885170 978933573 /nfs/dbraw/zinc/93/35/73/978933573.db2.gz WZCHPUMULWHERB-QMMMGPOBSA-N 1 2 230.233 2.845 20 0 BFADLO C[C@@H]1CCC(F)(F)CN1c1cc[nH+]cc1F ZINC001339885169 978933680 /nfs/dbraw/zinc/93/36/80/978933680.db2.gz WZCHPUMULWHERB-MRVPVSSYSA-N 1 2 230.233 2.845 20 0 BFADLO Fc1cnc(C[NH+]2CCC3(CCCC3)CC2)nc1 ZINC001235002652 978948744 /nfs/dbraw/zinc/94/87/44/978948744.db2.gz CINYDWBWYKJGJH-UHFFFAOYSA-N 1 2 249.333 2.772 20 0 BFADLO Cc1cc(F)c(C[N@H+]2CC[C@@H]2C)c(F)c1 ZINC001235189730 978994356 /nfs/dbraw/zinc/99/43/56/978994356.db2.gz LWDLQSBFHVIIPN-VIFPVBQESA-N 1 2 211.255 2.867 20 0 BFADLO Cc1cc(F)c(C[N@@H+]2CC[C@@H]2C)c(F)c1 ZINC001235189730 978994362 /nfs/dbraw/zinc/99/43/62/978994362.db2.gz LWDLQSBFHVIIPN-VIFPVBQESA-N 1 2 211.255 2.867 20 0 BFADLO Cc1cnc(F)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC001235331855 979024877 /nfs/dbraw/zinc/02/48/77/979024877.db2.gz IOXINOSQRWJUML-UHFFFAOYSA-N 1 2 244.260 2.760 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415523 979040045 /nfs/dbraw/zinc/04/00/45/979040045.db2.gz WNRZYACZSYSWPH-AOOOYVTPSA-N 1 2 239.750 2.608 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235415523 979040049 /nfs/dbraw/zinc/04/00/49/979040049.db2.gz WNRZYACZSYSWPH-AOOOYVTPSA-N 1 2 239.750 2.608 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)cn2)[C@@H](C)C1 ZINC001235412133 979040320 /nfs/dbraw/zinc/04/03/20/979040320.db2.gz AWMBVRLUEXJNRZ-ZJUUUORDSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cn2)[C@@H](C)C1 ZINC001235412133 979040325 /nfs/dbraw/zinc/04/03/25/979040325.db2.gz AWMBVRLUEXJNRZ-ZJUUUORDSA-N 1 2 239.750 2.750 20 0 BFADLO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001235528855 979070178 /nfs/dbraw/zinc/07/01/78/979070178.db2.gz BACQXSHFRQDJGS-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001235528855 979070199 /nfs/dbraw/zinc/07/01/99/979070199.db2.gz BACQXSHFRQDJGS-STQMWFEESA-N 1 2 237.730 2.622 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235685024 979120966 /nfs/dbraw/zinc/12/09/66/979120966.db2.gz WGDZMNJKAVQYKH-SECBINFHSA-N 1 2 233.290 2.544 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235685024 979120973 /nfs/dbraw/zinc/12/09/73/979120973.db2.gz WGDZMNJKAVQYKH-SECBINFHSA-N 1 2 233.290 2.544 20 0 BFADLO CC(C)[C@@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001181509163 979127814 /nfs/dbraw/zinc/12/78/14/979127814.db2.gz IVOYVZGYZLCGGF-LLVKDONJSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1ccc(F)c(C[NH+](C)C)c1Br ZINC001235762204 979142571 /nfs/dbraw/zinc/14/25/71/979142571.db2.gz NRPZXAJGBSIQRW-UHFFFAOYSA-N 1 2 246.123 2.958 20 0 BFADLO CCOc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1F ZINC001235796896 979153604 /nfs/dbraw/zinc/15/36/04/979153604.db2.gz WVGCLMDGLNAFEO-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc(C[N@H+]2CC[C@H](F)C2)ccc1F ZINC001235796896 979153609 /nfs/dbraw/zinc/15/36/09/979153609.db2.gz WVGCLMDGLNAFEO-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc(-c2c[nH+]c(N)c(C)c2)c(F)cn1 ZINC001235877166 979176164 /nfs/dbraw/zinc/17/61/64/979176164.db2.gz XQDKHPVFLLAPNP-UHFFFAOYSA-N 1 2 247.273 2.572 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccnc1N1CCCC1 ZINC001236124813 979402362 /nfs/dbraw/zinc/40/23/62/979402362.db2.gz HORLOLMBKNMQNX-QJQVOESFSA-N 1 2 229.327 2.558 20 0 BFADLO Cc1ccc(Nc2cncc(N(C)C)c2)c(C)[nH+]1 ZINC001203370824 979475951 /nfs/dbraw/zinc/47/59/51/979475951.db2.gz VPJFDVXKQLSMAO-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1c(F)c(F)ccc1-c1ccc(N)[nH+]c1 ZINC001236312899 979509011 /nfs/dbraw/zinc/50/90/11/979509011.db2.gz BJCVALAQFHMEPL-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Cc1nc2ccc(-c3ccc(N)[nH+]c3)cc2o1 ZINC001236313254 979521204 /nfs/dbraw/zinc/52/12/04/979521204.db2.gz JRDKAAGDMIDCCT-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COC(=O)Nc1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236313161 979522134 /nfs/dbraw/zinc/52/21/34/979522134.db2.gz IKVDRQZLFJVEON-UHFFFAOYSA-N 1 2 243.266 2.509 20 0 BFADLO Nc1ccc(-c2cc3[nH]ccc3c(F)c2)c[nH+]1 ZINC001236313792 979526190 /nfs/dbraw/zinc/52/61/90/979526190.db2.gz YIOZPJXCJFQSAG-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CCOc1cc(OC)cc(-c2ccc(N)[nH+]c2)c1 ZINC001236315207 979527572 /nfs/dbraw/zinc/52/75/72/979527572.db2.gz ADDXBARTGHROSW-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO Cc1noc2ccc(-c3ccc(N)[nH+]c3)cc12 ZINC001236318403 979531329 /nfs/dbraw/zinc/53/13/29/979531329.db2.gz WNTJZGXFGMCIFC-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Nc1ccc(-c2cccc3c2CCCO3)c[nH+]1 ZINC001236319438 979531862 /nfs/dbraw/zinc/53/18/62/979531862.db2.gz XMGYCHAYQDJARZ-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO CC1(C)Oc2ccc(-c3ccc(N)[nH+]c3)cc2O1 ZINC001236317483 979533744 /nfs/dbraw/zinc/53/37/44/979533744.db2.gz RIRQMUZLRAENMB-UHFFFAOYSA-N 1 2 242.278 2.838 20 0 BFADLO Cc1noc(C)c1Cc1c[nH+]c(C)cc1C ZINC001250070223 979561943 /nfs/dbraw/zinc/56/19/43/979561943.db2.gz GDKRQEWMVMZDKJ-UHFFFAOYSA-N 1 2 216.284 2.894 20 0 BFADLO O=C1CC[N@H+](Cc2ccco2)[C@H]2CCCC[C@@H]12 ZINC001203270675 979941634 /nfs/dbraw/zinc/94/16/34/979941634.db2.gz MPGFXLMMQIGAAS-OLZOCXBDSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccco2)[C@H]2CCCC[C@@H]12 ZINC001203270675 979941640 /nfs/dbraw/zinc/94/16/40/979941640.db2.gz MPGFXLMMQIGAAS-OLZOCXBDSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@H+](Cc2ccco2)[C@@H]2CCCC[C@H]12 ZINC001203270681 979942933 /nfs/dbraw/zinc/94/29/33/979942933.db2.gz MPGFXLMMQIGAAS-QWHCGFSZSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccco2)[C@@H]2CCCC[C@H]12 ZINC001203270681 979942939 /nfs/dbraw/zinc/94/29/39/979942939.db2.gz MPGFXLMMQIGAAS-QWHCGFSZSA-N 1 2 233.311 2.613 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2ccccc2C)n1 ZINC001237646387 979997983 /nfs/dbraw/zinc/99/79/83/979997983.db2.gz RPIMEWNQTQQLAW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2ccccc2C)n1 ZINC001237646387 979997990 /nfs/dbraw/zinc/99/79/90/979997990.db2.gz RPIMEWNQTQQLAW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1coc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001237648804 979999475 /nfs/dbraw/zinc/99/94/75/979999475.db2.gz JDWOMRFIQAIFKJ-CYBMUJFWSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1coc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001237648804 979999482 /nfs/dbraw/zinc/99/94/82/979999482.db2.gz JDWOMRFIQAIFKJ-CYBMUJFWSA-N 1 2 228.295 2.930 20 0 BFADLO CCc1[nH]ncc1C[N@H+](C)Cc1ccccc1 ZINC001237652835 980015049 /nfs/dbraw/zinc/01/50/49/980015049.db2.gz YSLCJQONQRDFQS-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1[nH]ncc1C[N@@H+](C)Cc1ccccc1 ZINC001237652835 980015058 /nfs/dbraw/zinc/01/50/58/980015058.db2.gz YSLCJQONQRDFQS-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO c1cn(C2CC2)c(C[NH+]2CC3(C2)CCCC3)n1 ZINC001343168933 980029352 /nfs/dbraw/zinc/02/93/52/980029352.db2.gz CXPXZHZMDNHGQT-UHFFFAOYSA-N 1 2 231.343 2.594 20 0 BFADLO COc1ccc(C)c(C[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC001237709652 980033746 /nfs/dbraw/zinc/03/37/46/980033746.db2.gz ORFUMOBHPSZMNE-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C)c(C[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC001237709652 980033757 /nfs/dbraw/zinc/03/37/57/980033757.db2.gz ORFUMOBHPSZMNE-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)C[N@H+](C)Cc1c(F)ccnc1Cl ZINC001238223732 980228871 /nfs/dbraw/zinc/22/88/71/980228871.db2.gz BKOWCLRFDBHUKK-UHFFFAOYSA-N 1 2 230.714 2.962 20 0 BFADLO CC(C)C[N@@H+](C)Cc1c(F)ccnc1Cl ZINC001238223732 980228881 /nfs/dbraw/zinc/22/88/81/980228881.db2.gz BKOWCLRFDBHUKK-UHFFFAOYSA-N 1 2 230.714 2.962 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001185562104 980244276 /nfs/dbraw/zinc/24/42/76/980244276.db2.gz GLZGHIRRDKVBNJ-LLVKDONJSA-N 1 2 246.354 2.757 20 0 BFADLO CCOc1cc(F)c(F)cc1C[NH+]1CC=CC1 ZINC001238651543 980307612 /nfs/dbraw/zinc/30/76/12/980307612.db2.gz DQCRXPYCBQIEMC-UHFFFAOYSA-N 1 2 239.265 2.735 20 0 BFADLO CCOC1C[NH+](Cc2cc(C)c(C)cc2OC)C1 ZINC001238759628 980319555 /nfs/dbraw/zinc/31/95/55/980319555.db2.gz MAJMSYSSAGYZPV-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO Cc1cc(-c2ccc(C3CC3)nc2)c[nH+]c1N ZINC001238854401 980343730 /nfs/dbraw/zinc/34/37/30/980343730.db2.gz DPDXRALHJBJEEU-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO CC(C)(COC(=O)[C@@]1(C)C=CCC1)n1cc[nH+]c1 ZINC001344109395 980349790 /nfs/dbraw/zinc/34/97/90/980349790.db2.gz KAGMVRDQBRKIMB-AWEZNQCLSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1cn2cc(-c3cnn(C(F)F)c3)ccc2[nH+]1 ZINC001238868118 980356214 /nfs/dbraw/zinc/35/62/14/980356214.db2.gz XXTUKTNSUGPKCP-UHFFFAOYSA-N 1 2 248.236 2.901 20 0 BFADLO CC(=CC=C[NH3+])c1cc2ccccc2[nH]c1=O ZINC001238880708 980359538 /nfs/dbraw/zinc/35/95/38/980359538.db2.gz DYRHWFCXLXEBPP-DXNUHORPSA-N 1 2 226.279 2.816 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)cc1OC(C)C ZINC001238930303 980368551 /nfs/dbraw/zinc/36/85/51/980368551.db2.gz PJVDNBNHLUFSHG-UHFFFAOYSA-N 1 2 246.310 2.883 20 0 BFADLO COc1cccc(-c2c[nH+]c(N)c(C)c2)c1C ZINC001238983386 980406292 /nfs/dbraw/zinc/40/62/92/980406292.db2.gz MYQKHUYBKLKTAE-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1c[nH+]c(C)c(-n2cc(N)c3cccnc32)c1 ZINC001203654015 980471878 /nfs/dbraw/zinc/47/18/78/980471878.db2.gz AZNBCVYKBBHOKM-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2c3c(nn2C)CCC3)c1 ZINC001203654656 980480846 /nfs/dbraw/zinc/48/08/46/980480846.db2.gz PBTOUUYTYRGIEP-UHFFFAOYSA-N 1 2 242.326 2.664 20 0 BFADLO COc1cc(Nc2cc(C)c[nH+]c2C)ccn1 ZINC001203655158 980485675 /nfs/dbraw/zinc/48/56/75/980485675.db2.gz XBNHRVYBGQKSHJ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO c1cn(Cc2ccccc2-c2cnoc2)c[nH+]1 ZINC001239184873 980490863 /nfs/dbraw/zinc/49/08/63/980490863.db2.gz STLWRVNEEHGEIJ-UHFFFAOYSA-N 1 2 225.251 2.586 20 0 BFADLO COc1cncc(Nc2cc(C)c[nH+]c2C)c1 ZINC001203655840 980494496 /nfs/dbraw/zinc/49/44/96/980494496.db2.gz CXHXMOUCWAOUSF-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1c[nH+]c(C)c(N2CCc3cccc(N)c32)c1 ZINC001203670080 980559855 /nfs/dbraw/zinc/55/98/55/980559855.db2.gz ZUYWBOWOWMNEGC-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO COc1ccc(-c2nc3[nH]c(C)cc3c[nH+]2)cc1 ZINC001239482868 980631172 /nfs/dbraw/zinc/63/11/72/980631172.db2.gz PRKVDYDQHSDBDL-UHFFFAOYSA-N 1 2 239.278 2.894 20 0 BFADLO COC(=O)[C@@H]([NH3+])c1ccc(-c2ccsc2)cc1 ZINC001239510906 980681871 /nfs/dbraw/zinc/68/18/71/980681871.db2.gz DQKKPGUJLRKQIM-LBPRGKRZSA-N 1 2 247.319 2.588 20 0 BFADLO c1cc(-c2cc[nH+]c3c2CCN3)cs1 ZINC001239512326 980684146 /nfs/dbraw/zinc/68/41/46/980684146.db2.gz HNDYFAXVASVYGF-UHFFFAOYSA-N 1 2 202.282 2.778 20 0 BFADLO CNc1cc(-c2cccc(NC(C)=O)c2)cc[nH+]1 ZINC001239530818 980701832 /nfs/dbraw/zinc/70/18/32/980701832.db2.gz JBISKYYTXYPUGK-UHFFFAOYSA-N 1 2 241.294 2.749 20 0 BFADLO CC1CCC(=Cc2nnc(C[NH+](C)C)o2)CC1 ZINC001345941730 980713131 /nfs/dbraw/zinc/71/31/31/980713131.db2.gz OPMZTZORGJCJSQ-UHFFFAOYSA-N 1 2 235.331 2.725 20 0 BFADLO CCOc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001239561730 980741809 /nfs/dbraw/zinc/74/18/09/980741809.db2.gz LDYIQYPAGBVUCJ-UHFFFAOYSA-N 1 2 239.278 2.975 20 0 BFADLO c1c[nH]c(-c2ccc(CCn3cc[nH+]c3)cc2)n1 ZINC001250318904 980755677 /nfs/dbraw/zinc/75/56/77/980755677.db2.gz LOYJEPUOLQBMTL-UHFFFAOYSA-N 1 2 238.294 2.516 20 0 BFADLO COc1cc(C)c(CCn2cc[nH+]c2)cc1C ZINC001250316704 980756389 /nfs/dbraw/zinc/75/63/89/980756389.db2.gz UANLXNVVVXYJSL-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO c1cn(CCc2cccc3cccnc32)c[nH+]1 ZINC001250316667 980756537 /nfs/dbraw/zinc/75/65/37/980756537.db2.gz RRCVGLLLRDBKBZ-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO c1cn(CCc2ccccc2OC2CC2)c[nH+]1 ZINC001250319008 980757397 /nfs/dbraw/zinc/75/73/97/980757397.db2.gz PAWFEKVZDAPHDA-UHFFFAOYSA-N 1 2 228.295 2.667 20 0 BFADLO Cc1ccc(-c2ccc(F)c(F)c2)[nH+]c1N ZINC001239582426 980774620 /nfs/dbraw/zinc/77/46/20/980774620.db2.gz JCRDYYVIYOUOCN-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(OC)c1 ZINC001239621419 980812434 /nfs/dbraw/zinc/81/24/34/980812434.db2.gz PJKZIKSNHFNLGO-DXNUHORPSA-N 1 2 219.284 2.580 20 0 BFADLO C/C=C(\C)COC(=O)C[N@H+](C)Cc1ccccc1 ZINC001346337393 980812634 /nfs/dbraw/zinc/81/26/34/980812634.db2.gz CRGBOWUHSASSFO-YIXHJXPBSA-N 1 2 247.338 2.628 20 0 BFADLO C/C=C(\C)COC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001346337393 980812637 /nfs/dbraw/zinc/81/26/37/980812637.db2.gz CRGBOWUHSASSFO-YIXHJXPBSA-N 1 2 247.338 2.628 20 0 BFADLO Fc1ccc(-c2cc[nH+]c3c2CCN3)c(F)c1 ZINC001239680613 980840678 /nfs/dbraw/zinc/84/06/78/980840678.db2.gz YXCQEXKTYTUCSG-UHFFFAOYSA-N 1 2 232.233 2.638 20 0 BFADLO CCc1cn(CCOc2ccc(F)cc2)c[nH+]1 ZINC001190103116 980845388 /nfs/dbraw/zinc/84/53/88/980845388.db2.gz HRAQNMZGRZGRQG-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO Nc1cn2ccc(-c3cc(F)ccc3F)cc2[nH+]1 ZINC001239710555 980863529 /nfs/dbraw/zinc/86/35/29/980863529.db2.gz FTXGVLWKZJPZDD-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO CCOc1ccc(N(C)c2[nH+]cccc2N)cc1 ZINC000077393385 980870894 /nfs/dbraw/zinc/87/08/94/980870894.db2.gz RZHGFVQPSCIXOF-UHFFFAOYSA-N 1 2 243.310 2.830 20 0 BFADLO COc1ccc(F)cc1-c1cc[nH+]c2c1CCN2 ZINC001239724751 980877411 /nfs/dbraw/zinc/87/74/11/980877411.db2.gz ZUYLEIJCACMEHV-UHFFFAOYSA-N 1 2 244.269 2.864 20 0 BFADLO COc1cccc(/C(C)=C/C=C/[NH3+])c1F ZINC001239750049 980897720 /nfs/dbraw/zinc/89/77/20/980897720.db2.gz QNSQQZNSVLQCDB-KBXRYBNXSA-N 1 2 207.248 2.710 20 0 BFADLO COc1ccc(C)cc1/C(C)=C/C=C/[NH3+] ZINC001239769659 980909258 /nfs/dbraw/zinc/90/92/58/980909258.db2.gz QBRJQZJQTHOBPJ-JNKBEKGTSA-N 1 2 203.285 2.879 20 0 BFADLO Cc1cc(N(C)CC(F)F)nc(C(C)(C)C)[nH+]1 ZINC000077964281 980994798 /nfs/dbraw/zinc/99/47/98/980994798.db2.gz BTFTXCCWIKTHAK-UHFFFAOYSA-N 1 2 243.301 2.784 20 0 BFADLO COc1ccc2[nH+]c(C)n(C3CC3)c2c1 ZINC001250424571 981032088 /nfs/dbraw/zinc/03/20/88/981032088.db2.gz IYKZOAJTSWIDBL-UHFFFAOYSA-N 1 2 202.257 2.688 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cncc(OC)c2)c1 ZINC001239930435 981040079 /nfs/dbraw/zinc/04/00/79/981040079.db2.gz LFSLLWLFPGRILY-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO COc1cncc(-c2ccc3[nH+]ccn3c2C)c1 ZINC001239932775 981044750 /nfs/dbraw/zinc/04/47/50/981044750.db2.gz SQUPMHHSYYDMKN-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COCc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001239933364 981044825 /nfs/dbraw/zinc/04/48/25/981044825.db2.gz QOMPNYDSMBBGJS-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Cn1ccc2cc(-c3c[nH+]cn3C)ccc21 ZINC001239940167 981050781 /nfs/dbraw/zinc/05/07/81/981050781.db2.gz AXOHARCNMCYIHG-UHFFFAOYSA-N 1 2 211.268 2.579 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(F)c1 ZINC001240021877 981106926 /nfs/dbraw/zinc/10/69/26/981106926.db2.gz ZEWASFDEIDGUBL-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO COc1ccc(-c2c[nH+]cn2C)cc1Cl ZINC001240031108 981108291 /nfs/dbraw/zinc/10/82/91/981108291.db2.gz GOAAXDFMIDDWHK-UHFFFAOYSA-N 1 2 222.675 2.749 20 0 BFADLO Cc1n[nH]c(C)c1-c1[nH+]ccc2[nH]ccc21 ZINC001240123066 981118401 /nfs/dbraw/zinc/11/84/01/981118401.db2.gz OMXRBVULBGRXKX-UHFFFAOYSA-N 1 2 212.256 2.570 20 0 BFADLO CCCn1cc(-c2cccc3[nH+]ccn32)cn1 ZINC001240131352 981133505 /nfs/dbraw/zinc/13/35/05/981133505.db2.gz PPZUTDOONCQFJQ-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO Cc1cn2cc(-c3c(C)nn(C)c3C)ccc2[nH+]1 ZINC001240145115 981146304 /nfs/dbraw/zinc/14/63/04/981146304.db2.gz HEYJHXOTBQGRIT-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO c1cn2c(cccc2-c2ccc3n[nH]cc3c2)[nH+]1 ZINC001240211952 981158484 /nfs/dbraw/zinc/15/84/84/981158484.db2.gz ZHDPTFHKEXUXJN-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCOc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240213949 981161270 /nfs/dbraw/zinc/16/12/70/981161270.db2.gz ICXUQRRIKCZWPB-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO CSc1nccc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240213691 981162114 /nfs/dbraw/zinc/16/21/14/981162114.db2.gz ALXWEEZOLIDJBR-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO COCc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240213759 981162159 /nfs/dbraw/zinc/16/21/59/981162159.db2.gz GSSOIFZAVGNKCM-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO c1cn2cc(-c3ccc4ncccc4n3)ccc2[nH+]1 ZINC001240213571 981162425 /nfs/dbraw/zinc/16/24/25/981162425.db2.gz FTYHLYLCNXYNIS-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCOc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240217425 981163155 /nfs/dbraw/zinc/16/31/55/981163155.db2.gz CKXSBUSCUNAAGV-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO COc1cnc(-c2ccc3[nH+]ccn3c2)cc1C ZINC001240217184 981165874 /nfs/dbraw/zinc/16/58/74/981165874.db2.gz FYWMZGSOELMVOI-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1cc(C)c(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240218037 981166233 /nfs/dbraw/zinc/16/62/33/981166233.db2.gz XJMUFGNVNUJGIK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2cc(-c3cccc4c3CCN4)ccc2[nH+]1 ZINC001240217500 981166816 /nfs/dbraw/zinc/16/68/16/981166816.db2.gz GTOCDZOLHUHHKV-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO CCc1nc(C)cc(-c2ccc3[nH+]ccn3c2)n1 ZINC001240216998 981167423 /nfs/dbraw/zinc/16/74/23/981167423.db2.gz WPRYYUSCJULGRO-UHFFFAOYSA-N 1 2 238.294 2.662 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccc2nccn2c1 ZINC001240219541 981169096 /nfs/dbraw/zinc/16/90/96/981169096.db2.gz MMSIBAZTDDIJCO-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1cc2nccn2cc1-c1ccc2[nH+]ccn2c1 ZINC001240219541 981169101 /nfs/dbraw/zinc/16/91/01/981169101.db2.gz MMSIBAZTDDIJCO-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Fc1cc(F)nc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218574 981169519 /nfs/dbraw/zinc/16/95/19/981169519.db2.gz SBSLSRWRDGPPEY-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO c1cn2cc(-c3cccc4c3OCC4)ccc2[nH+]1 ZINC001240218604 981169888 /nfs/dbraw/zinc/16/98/88/981169888.db2.gz SXZHOCRHCBXDIB-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO c1cn2cc(-c3cccc4cncnc43)ccc2[nH+]1 ZINC001240219556 981170438 /nfs/dbraw/zinc/17/04/38/981170438.db2.gz NAYXMEIBZCCSBI-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cnc4c(c3)CN=N4)ccc2[nH+]1 ZINC001240222050 981176421 /nfs/dbraw/zinc/17/64/21/981176421.db2.gz VTZLBJNDJIZESC-UHFFFAOYSA-N 1 2 235.250 2.994 20 0 BFADLO Fc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001250481767 981177888 /nfs/dbraw/zinc/17/78/88/981177888.db2.gz HLVFUVDNNFVIJQ-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cn2cc(-c3cncc(F)c3)ccc2[nH+]1 ZINC001240234911 981193199 /nfs/dbraw/zinc/19/31/99/981193199.db2.gz QBLRDTVVKDJKCK-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(-n2cccn2)c1 ZINC001240247811 981224790 /nfs/dbraw/zinc/22/47/90/981224790.db2.gz KJJLEHXCHNFIHW-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO Cc1cc(F)cc(N2[C@H](C)CC[C@H]2C)[nH+]1 ZINC001348031464 981251586 /nfs/dbraw/zinc/25/15/86/981251586.db2.gz MSNLSPUYGMNYRF-NXEZZACHSA-N 1 2 208.280 2.906 20 0 BFADLO c1cn2cc(-c3cccc4n[nH]cc43)ccc2[nH+]1 ZINC001240313543 981284133 /nfs/dbraw/zinc/28/41/33/981284133.db2.gz IBBQQVWOGOGBEX-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCc1ccc(N2CC[C@H](C)[C@@H](OC)C2)[nH+]c1 ZINC001348115089 981286903 /nfs/dbraw/zinc/28/69/03/981286903.db2.gz ATPXKUMNCRLULF-AAEUAGOBSA-N 1 2 234.343 2.505 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2ncsc2c1 ZINC001240343393 981306293 /nfs/dbraw/zinc/30/62/93/981306293.db2.gz UHNMRKPTQLLBTQ-UHFFFAOYSA-N 1 2 215.281 2.697 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(C(F)(F)F)c1 ZINC001240339330 981306423 /nfs/dbraw/zinc/30/64/23/981306423.db2.gz VQPKBYOOTXNJCT-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cncnc2)c1 ZINC001240377146 981329648 /nfs/dbraw/zinc/32/96/48/981329648.db2.gz RMXPOLGAAHXEOP-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO CNc1cc(-c2cnc3[nH]ccc3c2)cc[nH+]1 ZINC001240394515 981355831 /nfs/dbraw/zinc/35/58/31/981355831.db2.gz RHFJYYFAYNWCAI-UHFFFAOYSA-N 1 2 224.267 2.618 20 0 BFADLO c1cn2ccc(-c3ccc4cnccc4n3)cc2[nH+]1 ZINC001240496346 981418610 /nfs/dbraw/zinc/41/86/10/981418610.db2.gz MMGZDTZTHQADNT-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CSc1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497322 981418708 /nfs/dbraw/zinc/41/87/08/981418708.db2.gz WUMPRVDXOFHVHQ-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Cn1ccc2ccnc(-c3ccn4cc[nH+]c4c3)c21 ZINC001240503211 981430338 /nfs/dbraw/zinc/43/03/38/981430338.db2.gz KKCVGZQUVYWIJI-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO COc1cc(C)c(-c2ccn3cc[nH+]c3c2)cn1 ZINC001240503123 981430983 /nfs/dbraw/zinc/43/09/83/981430983.db2.gz GKZGBAPFXGBLEJ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Fc1cnc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001240509095 981431950 /nfs/dbraw/zinc/43/19/50/981431950.db2.gz QVMQOELODAWPNT-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO c1cn2ccc(-c3ccc4ncncc4c3)cc2[nH+]1 ZINC001240508633 981433084 /nfs/dbraw/zinc/43/30/84/981433084.db2.gz GLJBSUYNSQHFPA-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1ccnc(F)c1-c1ccn2cc[nH+]c2c1 ZINC001240510286 981433378 /nfs/dbraw/zinc/43/33/78/981433378.db2.gz GRRVVCQMWHDZRL-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3cccc4cncnc43)cc2[nH+]1 ZINC001240510244 981433620 /nfs/dbraw/zinc/43/36/20/981433620.db2.gz FRIBZBOAGPRNLJ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cc2ncc(-c3ccn4cc[nH+]c4c3)cc2[nH]1 ZINC001240508680 981433983 /nfs/dbraw/zinc/43/39/83/981433983.db2.gz IPHQKFCHBXFCPK-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1nc(C)ccc1-c1ccn2cc[nH+]c2c1 ZINC001240512569 981439524 /nfs/dbraw/zinc/43/95/24/981439524.db2.gz VTUXMNNTMAGLRP-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1n[nH]cc1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001240522710 981455463 /nfs/dbraw/zinc/45/54/63/981455463.db2.gz JEVZVNRZZMITCB-UHFFFAOYSA-N 1 2 242.257 2.710 20 0 BFADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001240525179 981462099 /nfs/dbraw/zinc/46/20/99/981462099.db2.gz WAQPFYWOIRAKFV-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(N2CCCC2)c1 ZINC001240535033 981468276 /nfs/dbraw/zinc/46/82/76/981468276.db2.gz NCNLAUCDLLBFKW-UHFFFAOYSA-N 1 2 227.311 2.687 20 0 BFADLO CNC(=O)c1ccc(-c2cc(C)[nH+]c(C)c2)cc1 ZINC001240567311 981483344 /nfs/dbraw/zinc/48/33/44/981483344.db2.gz ZOFCMRPSTIYNKE-UHFFFAOYSA-N 1 2 240.306 2.725 20 0 BFADLO CCn1cc(-c2ccc3[nH+]c(C)cn3c2)cn1 ZINC001240649860 981554130 /nfs/dbraw/zinc/55/41/30/981554130.db2.gz KHPQNQNLXGNIPM-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)cc1F ZINC001203789227 981564072 /nfs/dbraw/zinc/56/40/72/981564072.db2.gz GEUMMHCICKGIQX-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc1F ZINC001203789227 981564085 /nfs/dbraw/zinc/56/40/85/981564085.db2.gz GEUMMHCICKGIQX-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO CC(=O)C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001349647322 981607688 /nfs/dbraw/zinc/60/76/88/981607688.db2.gz UCIPPOMXTMGUSS-SECBINFHSA-N 1 2 240.372 2.680 20 0 BFADLO CCCC1(CCC)CCC[N@@H+]1Cc1nc[nH]n1 ZINC001349709065 981663875 /nfs/dbraw/zinc/66/38/75/981663875.db2.gz FYXJRNOQNQRBNI-UHFFFAOYSA-N 1 2 236.363 2.740 20 0 BFADLO CCCC1(CCC)CCC[N@H+]1Cc1nc[nH]n1 ZINC001349709065 981663895 /nfs/dbraw/zinc/66/38/95/981663895.db2.gz FYXJRNOQNQRBNI-UHFFFAOYSA-N 1 2 236.363 2.740 20 0 BFADLO CCn1nccc1-c1ccc2[nH+]ccn2c1C ZINC001240712881 981701157 /nfs/dbraw/zinc/70/11/57/981701157.db2.gz PLRNELSTJYYYFV-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CCCC1 ZINC001349791713 981743011 /nfs/dbraw/zinc/74/30/11/981743011.db2.gz MUJHNGJFHPISOZ-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO Oc1ccc(-c2c[nH+]c3c(c2)CCCN3)cc1F ZINC001240790520 981836188 /nfs/dbraw/zinc/83/61/88/981836188.db2.gz NKOKTOZTOLKNFW-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO CNc1cc(-c2ccc(OC(C)C)nc2)cc[nH+]1 ZINC001240811557 981862722 /nfs/dbraw/zinc/86/27/22/981862722.db2.gz YTJMXHOJSKKTAI-UHFFFAOYSA-N 1 2 243.310 2.973 20 0 BFADLO Sc1ccc(C=C2CC[NH2+]CC2)cc1 ZINC001240876327 981922804 /nfs/dbraw/zinc/92/28/04/981922804.db2.gz VZZHULFCSXTZKR-UHFFFAOYSA-N 1 2 205.326 2.742 20 0 BFADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnon2)c1 ZINC001350371158 981947761 /nfs/dbraw/zinc/94/77/61/981947761.db2.gz JFSXWSZQSSLISU-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1cccc(O)c1 ZINC001240925678 981993800 /nfs/dbraw/zinc/99/38/00/981993800.db2.gz FYYMMWQKOVZKJO-UHFFFAOYSA-N 1 2 240.262 2.944 20 0 BFADLO CC[C@H](C)OC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001195086763 982069391 /nfs/dbraw/zinc/06/93/91/982069391.db2.gz SURUPFCVKKVNGD-JTQLQIEISA-N 1 2 247.298 2.990 20 0 BFADLO Cc1ccc(-c2c[nH+]c3c(c2)CCCN3)c(O)c1 ZINC001241050397 982151060 /nfs/dbraw/zinc/15/10/60/982151060.db2.gz FUCZDLCBFQJWCI-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO Cc1cc2c[nH+]c(-c3ccc(O)cc3)nc2[nH]1 ZINC001241060903 982166264 /nfs/dbraw/zinc/16/62/64/982166264.db2.gz ORBCNFAUJXYTJY-UHFFFAOYSA-N 1 2 225.251 2.591 20 0 BFADLO COc1ccc(F)c(/C(C)=C/C=C/[NH3+])c1F ZINC001241141575 982272757 /nfs/dbraw/zinc/27/27/57/982272757.db2.gz AWQKVGPPEOLJOW-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2CF)CCC1=O ZINC001351323633 982282606 /nfs/dbraw/zinc/28/26/06/982282606.db2.gz LQJVWXVXSIHROX-LLVKDONJSA-N 1 2 235.302 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2CF)CCC1=O ZINC001351323633 982282616 /nfs/dbraw/zinc/28/26/16/982282616.db2.gz LQJVWXVXSIHROX-LLVKDONJSA-N 1 2 235.302 2.567 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2CF)CCC1=O ZINC001351323635 982285244 /nfs/dbraw/zinc/28/52/44/982285244.db2.gz LQJVWXVXSIHROX-NSHDSACASA-N 1 2 235.302 2.567 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2CF)CCC1=O ZINC001351323635 982285253 /nfs/dbraw/zinc/28/52/53/982285253.db2.gz LQJVWXVXSIHROX-NSHDSACASA-N 1 2 235.302 2.567 20 0 BFADLO Nc1cc(-c2ccc(-c3cccnc3)nc2)cc[nH+]1 ZINC001241162005 982301733 /nfs/dbraw/zinc/30/17/33/982301733.db2.gz FMRDFEKIMUOKKI-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Cc1c2nc[nH]c2ccc1-c1cc[nH+]c(N)c1 ZINC001241163322 982303156 /nfs/dbraw/zinc/30/31/56/982303156.db2.gz UNPZDJKKKDYASF-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COC(OC)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241164122 982306127 /nfs/dbraw/zinc/30/61/27/982306127.db2.gz VIRPLBTVTOPQOC-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Nc1cc(-c2ccc(F)c3[nH]ccc32)cc[nH+]1 ZINC001241163693 982307622 /nfs/dbraw/zinc/30/76/22/982307622.db2.gz YHOIQPWLDKYCGL-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO CC(C)c1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241169499 982310441 /nfs/dbraw/zinc/31/04/41/982310441.db2.gz CADHQQMKZCPFED-UHFFFAOYSA-N 1 2 213.284 2.849 20 0 BFADLO CC(C)COc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001241170021 982311761 /nfs/dbraw/zinc/31/17/61/982311761.db2.gz GYPHHQINCCTSBH-UHFFFAOYSA-N 1 2 243.310 2.761 20 0 BFADLO Nc1cc(-c2cccc3[nH]cc(F)c32)cc[nH+]1 ZINC001241169691 982313301 /nfs/dbraw/zinc/31/33/01/982313301.db2.gz LBQNMZWJHNDDRM-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Nc1cc(-c2cncc(C(F)F)c2)cc[nH+]1 ZINC001241170553 982318350 /nfs/dbraw/zinc/31/83/50/982318350.db2.gz NQDVNISFBJNFGE-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO Cc1c(F)cc(-c2cc[nH+]c(N)c2)cc1F ZINC001241170270 982319963 /nfs/dbraw/zinc/31/99/63/982319963.db2.gz FFSZTLNSCBRTFR-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO Cc1cn2cc(-c3ccncc3F)ccc2[nH+]1 ZINC001241226481 982373490 /nfs/dbraw/zinc/37/34/90/982373490.db2.gz FZSZKUICEQTKMR-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(F)n1 ZINC001241227810 982377204 /nfs/dbraw/zinc/37/72/04/982377204.db2.gz CTERPYPQFQQZET-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1c(-c2ccncc2F)ccc2[nH+]ccn21 ZINC001241229600 982380719 /nfs/dbraw/zinc/38/07/19/982380719.db2.gz CXAGPXIUZVMUBJ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1c(C)ncnc1C ZINC001241243580 982385925 /nfs/dbraw/zinc/38/59/25/982385925.db2.gz VYRFFMBHFNOJNS-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO CCOc1cccc(F)c1-c1cc(N)cc[nH+]1 ZINC001241247338 982390334 /nfs/dbraw/zinc/39/03/34/982390334.db2.gz FGDJBOIBUZSJJI-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Oc1ccc(F)c(-c2ccn3cc[nH+]c3c2)c1F ZINC001241290714 982424571 /nfs/dbraw/zinc/42/45/71/982424571.db2.gz DSTIVEKOYHNCFK-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CC(=O)c1ccc(F)c(C(C)=CC=C[NH3+])c1 ZINC001241300281 982442926 /nfs/dbraw/zinc/44/29/26/982442926.db2.gz JWKJXZVUWMWLKI-DDEWIXKASA-N 1 2 219.259 2.904 20 0 BFADLO Cc1ccc(-c2cc[nH+]c3c2CCN3)c(F)c1 ZINC001241356671 982513595 /nfs/dbraw/zinc/51/35/95/982513595.db2.gz ZJEOZNZGOBDVFI-UHFFFAOYSA-N 1 2 228.270 2.807 20 0 BFADLO COc1ncc(C)cc1-c1cc2[nH]ccc2c[nH+]1 ZINC001241361935 982518089 /nfs/dbraw/zinc/51/80/89/982518089.db2.gz KRPCZBLBQQMHDI-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO Cc1cc(-c2ccc(N(C)C)nc2)cc(C)[nH+]1 ZINC001241369996 982532536 /nfs/dbraw/zinc/53/25/36/982532536.db2.gz JSFAXIJCQIVNDG-UHFFFAOYSA-N 1 2 227.311 2.826 20 0 BFADLO COc1cc(-c2ccc(C)c(N)[nH+]2)ccc1F ZINC001241416559 982566222 /nfs/dbraw/zinc/56/62/22/982566222.db2.gz AXEAOQRUGQGXAR-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO CNc1cc(-c2ccc3c(c2)OCCN3)cc[nH+]1 ZINC001241459865 982613495 /nfs/dbraw/zinc/61/34/95/982613495.db2.gz CJSSJYHTZLQNFO-UHFFFAOYSA-N 1 2 241.294 2.595 20 0 BFADLO CC(C)OC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001352900387 982631033 /nfs/dbraw/zinc/63/10/33/982631033.db2.gz WTYQWPGSARYQIS-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001352900387 982631035 /nfs/dbraw/zinc/63/10/35/982631035.db2.gz WTYQWPGSARYQIS-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4nccnc4c3)nc2[nH]1 ZINC001241489710 982639063 /nfs/dbraw/zinc/63/90/63/982639063.db2.gz SEUZXXLBIRMOJA-UHFFFAOYSA-N 1 2 247.261 2.520 20 0 BFADLO c1cn2ccc(-c3ccc4nccnc4c3)cc2[nH+]1 ZINC001241490774 982642583 /nfs/dbraw/zinc/64/25/83/982642583.db2.gz MFFBATIQMURBET-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1ncc(-c2cc(N3CCCC3)cc[nH+]2)s1 ZINC001241496352 982649328 /nfs/dbraw/zinc/64/93/28/982649328.db2.gz ZUYFZRMMKXUOFM-UHFFFAOYSA-N 1 2 231.324 2.805 20 0 BFADLO Cc1cc(-c2ccc(N)[nH+]c2)cc2c[nH]nc21 ZINC001241515079 982674852 /nfs/dbraw/zinc/67/48/52/982674852.db2.gz FEZAFGLITJWTQZ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Fc1cccnc1-c1cccc2[nH+]ccn21 ZINC001241534495 982699377 /nfs/dbraw/zinc/69/93/77/982699377.db2.gz JFJWNIZDIPJYEP-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ncccc1F ZINC001241540797 982725788 /nfs/dbraw/zinc/72/57/88/982725788.db2.gz CZOBGVIAKHZHTJ-UHFFFAOYSA-N 1 2 218.231 2.600 20 0 BFADLO CSc1ncc(-c2ccn3cc[nH+]c3c2)cn1 ZINC001241629165 982867422 /nfs/dbraw/zinc/86/74/22/982867422.db2.gz KZWYCDJWLSEFCP-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Cc1n[nH]c2cc(-c3cc[nH+]c(N)c3)ccc12 ZINC001241638230 982875454 /nfs/dbraw/zinc/87/54/54/982875454.db2.gz LCYULLYBQVONHT-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CNc1cc(-c2ccc3c(C)n[nH]c3c2)cc[nH+]1 ZINC001241640858 982878163 /nfs/dbraw/zinc/87/81/63/982878163.db2.gz CLISSXGVGZPORF-UHFFFAOYSA-N 1 2 238.294 2.975 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)c(F)cn1 ZINC001241663234 982896686 /nfs/dbraw/zinc/89/66/86/982896686.db2.gz ZYDZIOKOSBLJLR-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1n[nH]c2ccc(-c3c[nH+]c(N)c(C)c3)cc12 ZINC001241668511 982909232 /nfs/dbraw/zinc/90/92/32/982909232.db2.gz GITYSVINYJMNIJ-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc2nc[nH]c2c1 ZINC001241697711 982954189 /nfs/dbraw/zinc/95/41/89/982954189.db2.gz IVLJLLBHKIMERZ-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc2[nH]cnc2c1 ZINC001241697711 982954198 /nfs/dbraw/zinc/95/41/98/982954198.db2.gz IVLJLLBHKIMERZ-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO CCOc1ccc(-c2cc[nH+]c(NC)c2)cn1 ZINC001241706774 982965268 /nfs/dbraw/zinc/96/52/68/982965268.db2.gz ZGTPTLJKQVNMIH-UHFFFAOYSA-N 1 2 229.283 2.584 20 0 BFADLO CCCn1nc(C)cc1-c1cc[nH+]c2c1CCN2 ZINC001241766038 983042378 /nfs/dbraw/zinc/04/23/78/983042378.db2.gz CAMQZKOQFFMOTK-UHFFFAOYSA-N 1 2 242.326 2.632 20 0 BFADLO OCc1cc(-c2cccn3cc[nH+]c23)ccc1F ZINC001241788609 983048081 /nfs/dbraw/zinc/04/80/81/983048081.db2.gz MXUGSGJNYCGDLK-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO COc1cccc(-c2cc[nH+]c(N)c2)c1Cl ZINC001241858704 983085801 /nfs/dbraw/zinc/08/58/01/983085801.db2.gz ZJKQQLPVMJOFID-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO Nc1ccc(Nc2cnc3occc3c2)c[nH+]1 ZINC001201280017 983158102 /nfs/dbraw/zinc/15/81/02/983158102.db2.gz XKTSLUZRCCDONU-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1ccc(Nc2ccc3cccnc3c2)c[nH+]1 ZINC001201284701 983158231 /nfs/dbraw/zinc/15/82/31/983158231.db2.gz WMTWBNMKHMIPNQ-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Cc1cc(-c2ccc3n[nH]nc3c2)c2[nH+]ccn2c1 ZINC001241941504 983160059 /nfs/dbraw/zinc/16/00/59/983160059.db2.gz ZZWPTVDJXHGUNL-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO CC(=O)c1ccc(F)cc1Nc1ccc(N)[nH+]c1 ZINC001201292537 983167969 /nfs/dbraw/zinc/16/79/69/983167969.db2.gz ZHFDALILDWGYSN-UHFFFAOYSA-N 1 2 245.257 2.749 20 0 BFADLO Cc1cc(F)cc(N(C)CCOC(C)(C)C)[nH+]1 ZINC001354131700 983168830 /nfs/dbraw/zinc/16/88/30/983168830.db2.gz JUMVHZUBIAIRGW-UHFFFAOYSA-N 1 2 240.322 2.780 20 0 BFADLO Cc1cnc(Cl)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201272146 983174276 /nfs/dbraw/zinc/17/42/76/983174276.db2.gz KBZQWMHSMOVSOP-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Nc1ccc(Nc2ccc3ccccc3n2)c[nH+]1 ZINC001201271775 983174329 /nfs/dbraw/zinc/17/43/29/983174329.db2.gz BTILBALVLGFATI-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO CC(C)c1cccc(Nc2ccc(N)[nH+]c2)n1 ZINC001201276334 983174863 /nfs/dbraw/zinc/17/48/63/983174863.db2.gz TXMREDLGPYOKHG-UHFFFAOYSA-N 1 2 228.299 2.926 20 0 BFADLO CNc1cccc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201295823 983181208 /nfs/dbraw/zinc/18/12/08/983181208.db2.gz SQDUTNJOEJMSPC-UHFFFAOYSA-N 1 2 228.299 2.758 20 0 BFADLO CC(=O)c1cc(C)ccc1Nc1ccc(N)[nH+]c1 ZINC001201300842 983181651 /nfs/dbraw/zinc/18/16/51/983181651.db2.gz XPLWKCMHOYGLFP-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO CCn1ccc(CN(C)c2cc(F)cc(C)[nH+]2)c1 ZINC001354171668 983182754 /nfs/dbraw/zinc/18/27/54/983182754.db2.gz OQBNZOSSCMKRND-UHFFFAOYSA-N 1 2 247.317 2.987 20 0 BFADLO CCc1ccc(N2C[C@H](C)O[C@@H](C3CC3)C2)[nH+]c1 ZINC001354186232 983186755 /nfs/dbraw/zinc/18/67/55/983186755.db2.gz WMQSYKGHXUPGML-SMDDNHRTSA-N 1 2 246.354 2.648 20 0 BFADLO CC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)CCCO1 ZINC001354183795 983187101 /nfs/dbraw/zinc/18/71/01/983187101.db2.gz JTRLPKHCCFYHSS-GFCCVEGCSA-N 1 2 238.306 2.534 20 0 BFADLO COc1cccc2[nH]c(-c3c[nH+]cn3C)cc21 ZINC001241997748 983190143 /nfs/dbraw/zinc/19/01/43/983190143.db2.gz KHCYRRZJBXBZPE-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO c1cc2c(c(-c3cc[nH+]c4c3CCN4)c1)OCC2 ZINC001242013638 983208548 /nfs/dbraw/zinc/20/85/48/983208548.db2.gz NXDVBRYKIOJHEE-UHFFFAOYSA-N 1 2 238.290 2.652 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H]3CC=CC[C@@H]3C2)[nH+]1 ZINC001354248226 983222775 /nfs/dbraw/zinc/22/27/75/983222775.db2.gz PTLKJDUIUBUUSJ-TXEJJXNPSA-N 1 2 232.302 2.932 20 0 BFADLO CC(C)(C)C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201427259 983229755 /nfs/dbraw/zinc/22/97/55/983229755.db2.gz VLNPWJNNIAPURX-VIFPVBQESA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)(C)C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201427259 983229759 /nfs/dbraw/zinc/22/97/59/983229759.db2.gz VLNPWJNNIAPURX-VIFPVBQESA-N 1 2 223.282 2.959 20 0 BFADLO CC(C)C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201463509 983231101 /nfs/dbraw/zinc/23/11/01/983231101.db2.gz BIVINAKYBYIFJO-VIFPVBQESA-N 1 2 209.255 2.569 20 0 BFADLO CC(C)C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201463509 983231107 /nfs/dbraw/zinc/23/11/07/983231107.db2.gz BIVINAKYBYIFJO-VIFPVBQESA-N 1 2 209.255 2.569 20 0 BFADLO CC(C)(C)C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001201440579 983241941 /nfs/dbraw/zinc/24/19/41/983241941.db2.gz UQDHSHLJYCOAKQ-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO CC(C)(C)C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001201440579 983241948 /nfs/dbraw/zinc/24/19/48/983241948.db2.gz UQDHSHLJYCOAKQ-UHFFFAOYSA-N 1 2 239.750 2.534 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)c(F)cc1F ZINC001242044994 983252058 /nfs/dbraw/zinc/25/20/58/983252058.db2.gz DBVJJJYPBIISOK-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Cc1cc(C(C)C)nc(-c2c[nH+]c(N)cc2C)n1 ZINC001242077607 983324887 /nfs/dbraw/zinc/32/48/87/983324887.db2.gz GQQVKDZCEYQLQG-UHFFFAOYSA-N 1 2 242.326 2.861 20 0 BFADLO Cc1cc(-c2nc3c(ccn3C)c[nH+]2)ccc1O ZINC001242102554 983343264 /nfs/dbraw/zinc/34/32/64/983343264.db2.gz MALOPOGLJNIBDX-UHFFFAOYSA-N 1 2 239.278 2.649 20 0 BFADLO Nc1[nH+]cccc1/C=C/Cc1ccccc1 ZINC001242141035 983372775 /nfs/dbraw/zinc/37/27/75/983372775.db2.gz RJHYFNKKYJPARN-RUDMXATFSA-N 1 2 210.280 2.920 20 0 BFADLO Cc1c[nH+]ccc1NC(=S)Nc1ccccc1 ZINC001200826680 983389204 /nfs/dbraw/zinc/38/92/04/983389204.db2.gz RURYURRCISRQES-UHFFFAOYSA-N 1 2 243.335 2.621 20 0 BFADLO CN(C)c1cc(-c2ccccc2N(C)C)cc[nH+]1 ZINC001242185619 983400737 /nfs/dbraw/zinc/40/07/37/983400737.db2.gz TZWDWEURIBWLIN-UHFFFAOYSA-N 1 2 241.338 2.881 20 0 BFADLO CCCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252082371 983401734 /nfs/dbraw/zinc/40/17/34/983401734.db2.gz HIOUQIYYFGHNTN-GHMZBOCLSA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001252082371 983401737 /nfs/dbraw/zinc/40/17/37/983401737.db2.gz HIOUQIYYFGHNTN-GHMZBOCLSA-N 1 2 235.318 2.515 20 0 BFADLO F[C@@H]1C[NH+](CCCc2ccccc2)C[C@H]1F ZINC001201653096 983403833 /nfs/dbraw/zinc/40/38/33/983403833.db2.gz SPADWAMMUYMUOZ-CHWSQXEVSA-N 1 2 225.282 2.611 20 0 BFADLO CCCC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252082380 983404709 /nfs/dbraw/zinc/40/47/09/983404709.db2.gz HIOUQIYYFGHNTN-WDEREUQCSA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[C@@H](O)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001252082380 983404715 /nfs/dbraw/zinc/40/47/15/983404715.db2.gz HIOUQIYYFGHNTN-WDEREUQCSA-N 1 2 235.318 2.515 20 0 BFADLO CCCC[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201700625 983411704 /nfs/dbraw/zinc/41/17/04/983411704.db2.gz UTZOQNXMOBTJOE-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO CCCC[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001201700625 983411708 /nfs/dbraw/zinc/41/17/08/983411708.db2.gz UTZOQNXMOBTJOE-VIFPVBQESA-N 1 2 209.255 2.713 20 0 BFADLO Oc1cc(F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001242217556 983415349 /nfs/dbraw/zinc/41/53/49/983415349.db2.gz DVJYOGHCWZKPIF-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO CCCCN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001201723297 983428082 /nfs/dbraw/zinc/42/80/82/983428082.db2.gz WOXISZHMHDZIFB-GFCCVEGCSA-N 1 2 246.345 2.592 20 0 BFADLO CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201744576 983447385 /nfs/dbraw/zinc/44/73/85/983447385.db2.gz LHWIVURTQFMFSV-UHFFFAOYSA-N 1 2 242.363 2.687 20 0 BFADLO CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201744576 983447388 /nfs/dbraw/zinc/44/73/88/983447388.db2.gz LHWIVURTQFMFSV-UHFFFAOYSA-N 1 2 242.363 2.687 20 0 BFADLO CCCC=Cc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001242252604 983467804 /nfs/dbraw/zinc/46/78/04/983467804.db2.gz GNPMACGEOBRXFG-AATRIKPKSA-N 1 2 245.282 2.509 20 0 BFADLO Cc1cc2n[nH]cc2cc1-c1ccc(N)[nH+]c1 ZINC001242282998 983503797 /nfs/dbraw/zinc/50/37/97/983503797.db2.gz HLDMVFHNUDFIQF-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc2n[nH]cc2cc1-c1c[nH+]c(N)c(C)c1 ZINC001242283752 983506356 /nfs/dbraw/zinc/50/63/56/983506356.db2.gz XYGSFHTZZOZDOB-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1c(F)cc(-c2ccc[nH+]c2N)cc1F ZINC001242286838 983510745 /nfs/dbraw/zinc/51/07/45/983510745.db2.gz OHDMZNVVRPXXNE-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccnc1C(F)(F)F ZINC001242373828 983666556 /nfs/dbraw/zinc/66/65/56/983666556.db2.gz JBOKNAZXXUNELN-JHMJBTLWSA-N 1 2 228.217 2.976 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1c[nH]c2c1cccc2F ZINC001137051090 983777335 /nfs/dbraw/zinc/77/73/35/983777335.db2.gz DXROQYHSBKKNFJ-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1c[nH]c2c1cccc2F ZINC001137051090 983777343 /nfs/dbraw/zinc/77/73/43/983777343.db2.gz DXROQYHSBKKNFJ-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO COc1ncc(Cl)cc1/C(C)=C/C=C/[NH3+] ZINC001242507373 983833537 /nfs/dbraw/zinc/83/35/37/983833537.db2.gz NPJBNWQVUZQTGM-MSLMYCKWSA-N 1 2 224.691 2.619 20 0 BFADLO CCc1ncccc1-c1cc[nH+]c(NC)c1 ZINC001242522790 983844404 /nfs/dbraw/zinc/84/44/04/983844404.db2.gz DSTLBMOUFSLKFS-UHFFFAOYSA-N 1 2 213.284 2.748 20 0 BFADLO CC(C)n1nccc1-c1ccc2[nH+]ccn2c1 ZINC001242556692 983878778 /nfs/dbraw/zinc/87/87/78/983878778.db2.gz UXLQUBUYBXABDD-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO CCC[N@H+](CCOC)Cc1ncc(Cl)s1 ZINC001137103801 983944782 /nfs/dbraw/zinc/94/47/82/983944782.db2.gz JXQBUVSBYIJJNL-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCC[N@@H+](CCOC)Cc1ncc(Cl)s1 ZINC001137103801 983944792 /nfs/dbraw/zinc/94/47/92/983944792.db2.gz JXQBUVSBYIJJNL-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO Nc1cccnc1Nc1ccc2c[nH+]ccc2c1 ZINC000149500118 983949163 /nfs/dbraw/zinc/94/91/63/983949163.db2.gz JVQKOJFPMSFCMC-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Cc1cc(-c2c[nH]c(=O)c(F)c2)cn2cc[nH+]c12 ZINC001242615809 983997792 /nfs/dbraw/zinc/99/77/92/983997792.db2.gz DCTPONAAPPCWGF-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO Cc1cc(-c2c[nH]c(=O)c(F)c2)c2[nH+]ccn2c1 ZINC001242615899 983999234 /nfs/dbraw/zinc/99/92/34/983999234.db2.gz SICNCADCIIKNEA-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc([C@@H](C)O)cc1 ZINC001242646340 984019033 /nfs/dbraw/zinc/01/90/33/984019033.db2.gz OPDNZNNGSMFWQI-CXQUVYAXSA-N 1 2 203.285 2.616 20 0 BFADLO Cc1ccc(CO)cc1-c1cccn2cc[nH+]c12 ZINC001242667553 984033835 /nfs/dbraw/zinc/03/38/35/984033835.db2.gz VLLYCDMGRNGBGE-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1ccc(CO)cc1-c1ccn2cc[nH+]c2c1 ZINC001242667362 984036439 /nfs/dbraw/zinc/03/64/39/984036439.db2.gz SNXXLIVOBCZFNT-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001253525318 984193709 /nfs/dbraw/zinc/19/37/09/984193709.db2.gz MOKZHRCDMPBDBM-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@@H](O)C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC001253525318 984193711 /nfs/dbraw/zinc/19/37/11/984193711.db2.gz MOKZHRCDMPBDBM-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO C/C=C(\C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)CC ZINC001548399749 984198887 /nfs/dbraw/zinc/19/88/87/984198887.db2.gz CVLJMHQBNBTNQH-ZECXQIHBSA-N 1 2 247.342 2.555 20 0 BFADLO Cc1ccc(-c2[nH+]ccc3c2ccn3C)nc1 ZINC001242903696 984266123 /nfs/dbraw/zinc/26/61/23/984266123.db2.gz CRXMAXXJQBAYQU-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1cnc(F)cc1Nc1cccc2[nH+]ccn21 ZINC001212845959 984280411 /nfs/dbraw/zinc/28/04/11/984280411.db2.gz ULTRCXWISLOTAZ-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CNc1cc(-c2ccc(OC)nc2C)cc[nH+]1 ZINC001242928601 984301350 /nfs/dbraw/zinc/30/13/50/984301350.db2.gz ALUBJPCUGCNGKX-UHFFFAOYSA-N 1 2 229.283 2.502 20 0 BFADLO c1cn2ccc(-c3ccnc(C4CC4)n3)cc2[nH+]1 ZINC001240497691 984305916 /nfs/dbraw/zinc/30/59/16/984305916.db2.gz VQMIVMACKNOEGH-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO CSc1ccc(-c2c[nH+]cn2C)cc1F ZINC001242975872 984346443 /nfs/dbraw/zinc/34/64/43/984346443.db2.gz CRXKFSFHXUJORZ-UHFFFAOYSA-N 1 2 222.288 2.948 20 0 BFADLO Cc1occc1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001243058089 984428803 /nfs/dbraw/zinc/42/88/03/984428803.db2.gz GERVXVOEXIMTMO-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO Cc1ccc2nccc(-c3c[nH+]cn3C)c2c1 ZINC001243067002 984481131 /nfs/dbraw/zinc/48/11/31/984481131.db2.gz GBCIJTQXZOUGLH-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc2[nH]ccc21 ZINC001243069671 984487794 /nfs/dbraw/zinc/48/77/94/984487794.db2.gz JMRZIKVTXZNZNQ-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CCOc1c(F)cc(-c2c[nH+]cn2C)cc1F ZINC001243069191 984489058 /nfs/dbraw/zinc/48/90/58/984489058.db2.gz BRKSTSSVJPEFQV-UHFFFAOYSA-N 1 2 238.237 2.764 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ccno2)cc1 ZINC001243068741 984489181 /nfs/dbraw/zinc/48/91/81/984489181.db2.gz GGVSMAYQHTZESW-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO CCOc1cc(-c2c[nH+]cn2C)ccc1C ZINC001243070337 984494922 /nfs/dbraw/zinc/49/49/22/984494922.db2.gz SETVDRBXVFUEPX-UHFFFAOYSA-N 1 2 216.284 2.794 20 0 BFADLO CCCOc1ncc(-c2c[nH+]cn2C)cc1C ZINC001243071478 984497294 /nfs/dbraw/zinc/49/72/94/984497294.db2.gz UAEBMGAZKKPUOU-UHFFFAOYSA-N 1 2 231.299 2.579 20 0 BFADLO Cc1cc2cc(-c3c[nH+]cn3C)ccc2cn1 ZINC001243070933 984500849 /nfs/dbraw/zinc/50/08/49/984500849.db2.gz CPOYQQHOVUWZSU-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1ccc(-c2ccc(C)c(O)c2)[nH+]c1N ZINC001243229770 984751706 /nfs/dbraw/zinc/75/17/06/984751706.db2.gz RNMNJGWXXXQJQY-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO COc1cc(C)cc(/C(C)=C/C=C/[NH3+])c1 ZINC001243245402 984800253 /nfs/dbraw/zinc/80/02/53/984800253.db2.gz PJCPAQPALWRGGJ-KGUOMNFLSA-N 1 2 203.285 2.879 20 0 BFADLO CC[NH2+][C@@H](C)C(=O)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001577813837 984805027 /nfs/dbraw/zinc/80/50/27/984805027.db2.gz BEKPLMOYECNERC-WOPDTQHZSA-N 1 2 241.375 2.742 20 0 BFADLO Cc1cc(-c2cccc(N)[nH+]2)cc(C)c1O ZINC001243305516 984819358 /nfs/dbraw/zinc/81/93/58/984819358.db2.gz WINZVZCLRXWOAE-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1cc(-c2ccc(O)c(F)c2F)c[nH+]c1N ZINC001243342560 984833344 /nfs/dbraw/zinc/83/33/44/984833344.db2.gz INLJFDSLAVAAQB-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO Cc1cc(-c2cc[nH+]c3c2CCN3)cnc1F ZINC001243397663 984887773 /nfs/dbraw/zinc/88/77/73/984887773.db2.gz IHPODFHQQLZLAB-UHFFFAOYSA-N 1 2 229.258 2.559 20 0 BFADLO CCCC(CCC)[N@@H+]1CCOCC(F)(F)C1 ZINC001257335057 984901788 /nfs/dbraw/zinc/90/17/88/984901788.db2.gz JWTSDYOBFUXSOX-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CCCC(CCC)[N@H+]1CCOCC(F)(F)C1 ZINC001257335057 984901812 /nfs/dbraw/zinc/90/18/12/984901812.db2.gz JWTSDYOBFUXSOX-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CC1(C)Oc2ccc(-c3ccc[nH+]c3N)cc2O1 ZINC001243473411 985025127 /nfs/dbraw/zinc/02/51/27/985025127.db2.gz KVJZVOMXGBGIDF-UHFFFAOYSA-N 1 2 242.278 2.838 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(C(F)F)c1 ZINC001243473946 985025191 /nfs/dbraw/zinc/02/51/91/985025191.db2.gz GAKCLXKOQDVHKI-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO Cc1ccc(-c2ccc[nH+]c2N)c2nsnc21 ZINC001243473279 985025590 /nfs/dbraw/zinc/02/55/90/985025590.db2.gz JWFQQJRSDCLPAS-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2c1CCC2 ZINC001243474406 985026664 /nfs/dbraw/zinc/02/66/64/985026664.db2.gz LZLPRIWUCNLHOA-UHFFFAOYSA-N 1 2 210.280 2.820 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)c2cc[nH]c21 ZINC001243475122 985027046 /nfs/dbraw/zinc/02/70/46/985027046.db2.gz DZIYXPOSRZUPCZ-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2c1CC=C2 ZINC001243475442 985031175 /nfs/dbraw/zinc/03/11/75/985031175.db2.gz IFRSNSUPNDXCEM-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO Cc1nc(C[NH+]2CC3(CC(F)C3)C2)sc1C ZINC000686012453 985036100 /nfs/dbraw/zinc/03/61/00/985036100.db2.gz LJEBJCPIKBKIIR-UHFFFAOYSA-N 1 2 240.347 2.694 20 0 BFADLO CO/C=C/c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477986 985045599 /nfs/dbraw/zinc/04/55/99/985045599.db2.gz VQWGYONGILOBTF-CSKARUKUSA-N 1 2 226.279 2.948 20 0 BFADLO CC[C@H](C)CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456343036 985133505 /nfs/dbraw/zinc/13/35/05/985133505.db2.gz IOFSEPIHCWRJFP-JTQLQIEISA-N 1 2 237.347 2.586 20 0 BFADLO CC[C@H](C)CC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456343036 985133518 /nfs/dbraw/zinc/13/35/18/985133518.db2.gz IOFSEPIHCWRJFP-JTQLQIEISA-N 1 2 237.347 2.586 20 0 BFADLO CSc1ccc(/C(C)=C/C=C/[NH3+])c(C)n1 ZINC001243580505 985139472 /nfs/dbraw/zinc/13/94/72/985139472.db2.gz NYCHFNGLXJLHBV-KBXRYBNXSA-N 1 2 220.341 2.988 20 0 BFADLO COC(=[NH2+])c1cccc(-c2conc2C)c1 ZINC001243677282 985181757 /nfs/dbraw/zinc/18/17/57/985181757.db2.gz FQHSAUNUPOGQBB-UHFFFAOYSA-N 1 2 216.240 2.622 20 0 BFADLO CNc1cc(-c2cnc(F)cc2C)cc[nH+]1 ZINC001243760047 985296733 /nfs/dbraw/zinc/29/67/33/985296733.db2.gz MEXHWBUQHSCWET-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO CCCOC1C[NH+](Cc2cc(C)ccc2OC)C1 ZINC001138488082 985386585 /nfs/dbraw/zinc/38/65/85/985386585.db2.gz UANDRZIWLYYUMS-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+]1Cc2cncnc2C1 ZINC001258087026 985389211 /nfs/dbraw/zinc/38/92/11/985389211.db2.gz XNWAFYMAARSDCX-GFCCVEGCSA-N 1 2 231.343 2.927 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+]1Cc2cncnc2C1 ZINC001258087026 985389230 /nfs/dbraw/zinc/38/92/30/985389230.db2.gz XNWAFYMAARSDCX-GFCCVEGCSA-N 1 2 231.343 2.927 20 0 BFADLO CNc1cc(-c2cccc3c2CCN3)cc[nH+]1 ZINC001243856308 985506048 /nfs/dbraw/zinc/50/60/48/985506048.db2.gz IKEWJAIJOYIHMQ-UHFFFAOYSA-N 1 2 225.295 2.758 20 0 BFADLO CC[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CO1 ZINC000688430061 985635446 /nfs/dbraw/zinc/63/54/46/985635446.db2.gz WSVPQEAMPOASSC-GXTWGEPZSA-N 1 2 234.343 2.732 20 0 BFADLO CC[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CO1 ZINC000688430062 985635847 /nfs/dbraw/zinc/63/58/47/985635847.db2.gz WSVPQEAMPOASSC-JSGCOSHPSA-N 1 2 234.343 2.732 20 0 BFADLO c1ccc(-c2cncnc2C2=C[NH2+]CCC2)cc1 ZINC001243949746 985643283 /nfs/dbraw/zinc/64/32/83/985643283.db2.gz XURWVCUBXQWICP-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO COC(=O)c1c(C)cc(/C(C)=C/C=C/[NH3+])cc1C ZINC001244008088 985728116 /nfs/dbraw/zinc/72/81/16/985728116.db2.gz UEYRWJYTPWDMRR-YLNKAEQOSA-N 1 2 245.322 2.966 20 0 BFADLO CNc1cc(-c2cc(F)c(O)c(F)c2)cc[nH+]1 ZINC001244096957 985807329 /nfs/dbraw/zinc/80/73/29/985807329.db2.gz QVAUPVVGYBUWSI-UHFFFAOYSA-N 1 2 236.221 2.774 20 0 BFADLO COc1cc[nH+]cc1NC1=CC[C@H](OC)CC1 ZINC001212873506 985824775 /nfs/dbraw/zinc/82/47/75/985824775.db2.gz MZWCOLBRYHHVIX-NSHDSACASA-N 1 2 234.299 2.585 20 0 BFADLO COc1cc(NC2=CC[C@@H](OC)CC2)cc(C)[nH+]1 ZINC001212876964 985842427 /nfs/dbraw/zinc/84/24/27/985842427.db2.gz PBBPKZNANHCOAV-CYBMUJFWSA-N 1 2 248.326 2.893 20 0 BFADLO CC(=CC=C[NH3+])c1ccc2[nH]c(=O)ccc2c1 ZINC001244238642 985894580 /nfs/dbraw/zinc/89/45/80/985894580.db2.gz REBXEWSPKYJAOH-LFQLTVTGSA-N 1 2 226.279 2.816 20 0 BFADLO Cc1nn(C)c2cc(-c3cc[nH+]c(N)c3)ccc12 ZINC001244229453 985897107 /nfs/dbraw/zinc/89/71/07/985897107.db2.gz LCVYDWCMDCEKRR-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc(-c2cnccc2C2CC2)c[nH+]c1N ZINC001244282988 985928593 /nfs/dbraw/zinc/92/85/93/985928593.db2.gz FPFXBWZJODLQEK-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO C[C@@H]1CCC(F)(F)C[N@@H+]1CCCCF ZINC001460935012 985929907 /nfs/dbraw/zinc/92/99/07/985929907.db2.gz KXHJTUVAOYDWBR-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO C[C@@H]1CCC(F)(F)C[N@H+]1CCCCF ZINC001460935012 985929915 /nfs/dbraw/zinc/92/99/15/985929915.db2.gz KXHJTUVAOYDWBR-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO C[C@H]1CCC(F)(F)C[N@@H+]1CCCCF ZINC001460935019 985931654 /nfs/dbraw/zinc/93/16/54/985931654.db2.gz KXHJTUVAOYDWBR-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO C[C@H]1CCC(F)(F)C[N@H+]1CCCCF ZINC001460935019 985931670 /nfs/dbraw/zinc/93/16/70/985931670.db2.gz KXHJTUVAOYDWBR-VIFPVBQESA-N 1 2 209.255 2.856 20 0 BFADLO CCc1cc(/C(C)=C/C=C/[NH3+])ccc1N ZINC001244295162 985934136 /nfs/dbraw/zinc/93/41/36/985934136.db2.gz GMHDJJQMOGXPNH-DXNUHORPSA-N 1 2 202.301 2.707 20 0 BFADLO Nc1cc(-c2cccc3[nH]c(=O)ccc32)cc[nH+]1 ZINC001244315572 985949169 /nfs/dbraw/zinc/94/91/69/985949169.db2.gz HGCBPJUCRFLQEI-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO Fc1cc(CNc2cccc[nH+]2)cnc1Cl ZINC001461074211 986008961 /nfs/dbraw/zinc/00/89/61/986008961.db2.gz NDHROITUNOUQQZ-UHFFFAOYSA-N 1 2 237.665 2.881 20 0 BFADLO Cc1ccc(-c2ccc(C)c(N)[nH+]2)c(N)c1 ZINC001244390743 986023726 /nfs/dbraw/zinc/02/37/26/986023726.db2.gz FQJXLLCIJWGROP-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Cc1cc(CNc2ccccc2CO)cc(C)[nH+]1 ZINC001461292603 986037741 /nfs/dbraw/zinc/03/77/41/986037741.db2.gz BPEVCNNFJIRYHG-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CCOC(=O)C1([NH2+][C@H](CC)C[C@@H](C)CC)CC1 ZINC001258780979 986176935 /nfs/dbraw/zinc/17/69/35/986176935.db2.gz SNLIHZZAHAGYEA-NWDGAFQWSA-N 1 2 241.375 2.887 20 0 BFADLO CCCn1cncc1C[N@H+](CC)Cc1ccoc1 ZINC001461842581 986208055 /nfs/dbraw/zinc/20/80/55/986208055.db2.gz JGXHIBOLETXEMR-UHFFFAOYSA-N 1 2 247.342 2.908 20 0 BFADLO CCCn1cncc1C[N@@H+](CC)Cc1ccoc1 ZINC001461842581 986208074 /nfs/dbraw/zinc/20/80/74/986208074.db2.gz JGXHIBOLETXEMR-UHFFFAOYSA-N 1 2 247.342 2.908 20 0 BFADLO COc1c(C)ccc(F)c1-c1cc(N)cc[nH+]1 ZINC001244522972 986222816 /nfs/dbraw/zinc/22/28/16/986222816.db2.gz JBIXFBSMFOMBKZ-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1cc(C)c(N)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001244607479 986277007 /nfs/dbraw/zinc/27/70/07/986277007.db2.gz HXWMSZGQCWBYPZ-UHFFFAOYSA-N 1 2 227.311 2.838 20 0 BFADLO COCOc1c(C)cccc1-c1ccc[nH+]c1N ZINC001244658162 986299395 /nfs/dbraw/zinc/29/93/95/986299395.db2.gz VYRNYFPKABRADI-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CNc1cc(-c2cc(F)cc(N(C)C)c2)cc[nH+]1 ZINC001244799795 986346910 /nfs/dbraw/zinc/34/69/10/986346910.db2.gz USQYMRDGKRFPHA-UHFFFAOYSA-N 1 2 245.301 2.995 20 0 BFADLO COc1ccc(-c2cccn3cc[nH+]c23)cc1N ZINC001244893865 986421528 /nfs/dbraw/zinc/42/15/28/986421528.db2.gz HMUPXHPIYZUEJV-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1c(O)cccc1-c1cc[nH+]c(N(C)C)c1 ZINC001244959297 986524971 /nfs/dbraw/zinc/52/49/71/986524971.db2.gz ULOQQHILILHUKD-UHFFFAOYSA-N 1 2 228.295 2.829 20 0 BFADLO CCc1ccc(-c2cc[nH+]c(NC)c2)cn1 ZINC001244972063 986547493 /nfs/dbraw/zinc/54/74/93/986547493.db2.gz BNGIFXWPBDHIJT-UHFFFAOYSA-N 1 2 213.284 2.748 20 0 BFADLO CNc1cc(-c2cc(F)c(N)cc2C)cc[nH+]1 ZINC001244977093 986568090 /nfs/dbraw/zinc/56/80/90/986568090.db2.gz VEQCBKNPPWUCIE-UHFFFAOYSA-N 1 2 231.274 2.820 20 0 BFADLO Cc1c[nH+]c(-c2cc(Cl)ccc2O)cc1N ZINC001245049283 986605446 /nfs/dbraw/zinc/60/54/46/986605446.db2.gz UKLNVGQQMJEHOZ-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(O)cc1Cl ZINC001245082811 986650693 /nfs/dbraw/zinc/65/06/93/986650693.db2.gz DPAINYUPNADIAH-YALUOGEHSA-N 1 2 209.676 2.921 20 0 BFADLO Cc1ccc(-c2cc(Cl)cc(CO)c2)[nH+]c1N ZINC001245089686 986661132 /nfs/dbraw/zinc/66/11/32/986661132.db2.gz YOUCGOHDHOWQKN-UHFFFAOYSA-N 1 2 248.713 2.785 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncn1Cc1ccccc1 ZINC001245197551 986721412 /nfs/dbraw/zinc/72/14/12/986721412.db2.gz ZADBQMMTXNKXPV-PMHYKQBESA-N 1 2 239.322 2.807 20 0 BFADLO C/C(=C\C=C\N)c1c[nH+]cn1Cc1ccccc1 ZINC001245197551 986721418 /nfs/dbraw/zinc/72/14/18/986721418.db2.gz ZADBQMMTXNKXPV-PMHYKQBESA-N 1 2 239.322 2.807 20 0 BFADLO CCCOc1ccc(-c2cc[nH+]c(NC)c2)cn1 ZINC001245230709 986757419 /nfs/dbraw/zinc/75/74/19/986757419.db2.gz KHLZZAHKJHPBEB-UHFFFAOYSA-N 1 2 243.310 2.974 20 0 BFADLO C[C@H]1C[N@H+](Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC001137335347 986795406 /nfs/dbraw/zinc/79/54/06/986795406.db2.gz OMYWENUPSKJVII-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC001137335347 986795417 /nfs/dbraw/zinc/79/54/17/986795417.db2.gz OMYWENUPSKJVII-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC001137372533 986835012 /nfs/dbraw/zinc/83/50/12/986835012.db2.gz YSZURTGQLSZYCP-BETUJISGSA-N 1 2 248.370 2.675 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC001137372533 986835013 /nfs/dbraw/zinc/83/50/13/986835013.db2.gz YSZURTGQLSZYCP-BETUJISGSA-N 1 2 248.370 2.675 20 0 BFADLO Cn1cc(-c2ccc3[nH+]ccn3c2)c2ccncc21 ZINC001245491357 986870106 /nfs/dbraw/zinc/87/01/06/986870106.db2.gz ZNUVVMOMHPHWES-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO COc1cc(-c2cccn3cc[nH+]c23)ccc1N ZINC001245501459 986882480 /nfs/dbraw/zinc/88/24/80/986882480.db2.gz HUEJVOCJZRKMSE-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1cc(-c2ccc3ncccc3n2)c[nH+]c1N ZINC001245535830 986908678 /nfs/dbraw/zinc/90/86/78/986908678.db2.gz GNQBILNTPFGMLC-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cccc(OC(C)C)n2)c[nH+]c1N ZINC001245536678 986914910 /nfs/dbraw/zinc/91/49/10/986914910.db2.gz XWLLWHXXCUSOOI-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO CSCc1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245536856 986915056 /nfs/dbraw/zinc/91/50/56/986915056.db2.gz FGQKMOWIRUXLBK-UHFFFAOYSA-N 1 2 245.351 2.897 20 0 BFADLO Cc1cc(-c2cnc3ncccc3c2)c[nH+]c1N ZINC001245537499 986918197 /nfs/dbraw/zinc/91/81/97/986918197.db2.gz FOIQOCHXQSBPMR-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cccc3c2ncn3C)c[nH+]c1N ZINC001245537340 986919158 /nfs/dbraw/zinc/91/91/58/986919158.db2.gz CBKFBLITEWJRFW-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO C=Cc1ccc(-c2c[nH+]c(N)c(C)c2)nc1 ZINC001245538388 986921697 /nfs/dbraw/zinc/92/16/97/986921697.db2.gz NJYAEGRSCSRNAA-UHFFFAOYSA-N 1 2 211.268 2.677 20 0 BFADLO CNc1cccc(-c2c[nH+]c(N)c(C)c2)c1C ZINC001245541714 986930253 /nfs/dbraw/zinc/93/02/53/986930253.db2.gz WVCCUQXZBJNBJQ-UHFFFAOYSA-N 1 2 227.311 2.989 20 0 BFADLO COC(=O)c1cc(/C(C)=C/C=C/[NH3+])c(C)cc1C ZINC001245555459 986940570 /nfs/dbraw/zinc/94/05/70/986940570.db2.gz QFROTZZSQUZBTP-YLNKAEQOSA-N 1 2 245.322 2.966 20 0 BFADLO Nc1ncc(-c2cc3[nH]ccc3c[nH+]2)cc1Cl ZINC001245561836 986957400 /nfs/dbraw/zinc/95/74/00/986957400.db2.gz VALVLIQJSHRQGV-UHFFFAOYSA-N 1 2 244.685 2.861 20 0 BFADLO COc1ccc2[nH]c(-c3c[nH+]cn3C)cc2c1 ZINC001245592084 986979674 /nfs/dbraw/zinc/97/96/74/986979674.db2.gz FTHYPXMSINIOKT-UHFFFAOYSA-N 1 2 227.267 2.577 20 0 BFADLO Oc1cccc(F)c1-c1ccc2[nH+]ccn2c1 ZINC001245655314 987032367 /nfs/dbraw/zinc/03/23/67/987032367.db2.gz YNWTWZYVXAFIHK-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO CCOc1nccc(-c2ccc[nH+]c2N)c1Cl ZINC001245846903 987094979 /nfs/dbraw/zinc/09/49/79/987094979.db2.gz XKOVDEPNVKLZSA-UHFFFAOYSA-N 1 2 249.701 2.778 20 0 BFADLO CCc1cn(Cc2ccc(C)c(Cl)n2)c[nH+]1 ZINC001473086909 987330426 /nfs/dbraw/zinc/33/04/26/987330426.db2.gz CYKBQHVJYGLLOB-UHFFFAOYSA-N 1 2 235.718 2.851 20 0 BFADLO CCCC(CCC)[NH2+][C@@H]1CNCC(F)(F)C1 ZINC001246219924 987615781 /nfs/dbraw/zinc/61/57/81/987615781.db2.gz APLZKPQFMQBXJL-NSHDSACASA-N 1 2 234.334 2.542 20 0 BFADLO CCCCCC[C@@H](C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246219637 987618053 /nfs/dbraw/zinc/61/80/53/987618053.db2.gz ZGCJDLKHYXTGMS-UPJWGTAASA-N 1 2 230.371 2.635 20 0 BFADLO CCCCCC[C@@H](C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246219637 987618059 /nfs/dbraw/zinc/61/80/59/987618059.db2.gz ZGCJDLKHYXTGMS-UPJWGTAASA-N 1 2 230.371 2.635 20 0 BFADLO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)CC1)n1cc[nH+]c1 ZINC001116717698 987680888 /nfs/dbraw/zinc/68/08/88/987680888.db2.gz USQQVGYEUUDQTH-JHJVBQTASA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](C(=O)N[C@H]1CCCC(C)(C)C1)n1cc[nH+]c1 ZINC001116735374 987686200 /nfs/dbraw/zinc/68/62/00/987686200.db2.gz VYJWYSAEYQQSAG-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccon1 ZINC001117364345 987826478 /nfs/dbraw/zinc/82/64/78/987826478.db2.gz VFJKSOXXBKZROZ-SNVBAGLBSA-N 1 2 249.701 2.500 20 0 BFADLO Nc1nc(NC/C=C/C2CC2)[nH+]c2ccccc12 ZINC001117741927 987885432 /nfs/dbraw/zinc/88/54/32/987885432.db2.gz JOKNHLMFTVMBFF-ONEGZZNKSA-N 1 2 240.310 2.590 20 0 BFADLO CC[N@H+](Cc1noc(C2CC2)n1)C(C)(C)C ZINC001117752403 987890663 /nfs/dbraw/zinc/89/06/63/987890663.db2.gz ZXELYWFNCYHALZ-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC[N@@H+](Cc1noc(C2CC2)n1)C(C)(C)C ZINC001117752403 987890666 /nfs/dbraw/zinc/89/06/66/987890666.db2.gz ZXELYWFNCYHALZ-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO C[C@H](C(=O)NC1(C)CCC(C)CC1)n1cc[nH+]c1 ZINC001322236861 988171834 /nfs/dbraw/zinc/17/18/34/988171834.db2.gz PEJZQDCCSUEXDK-MBHSVXNSSA-N 1 2 249.358 2.529 20 0 BFADLO COc1ccc([C@@H](C)Cn2cc[nH+]c2)cc1 ZINC001118557428 988436608 /nfs/dbraw/zinc/43/66/08/988436608.db2.gz DZAZCMNBGPFBDF-NSHDSACASA-N 1 2 216.284 2.695 20 0 BFADLO COc1ccc([C@H](C)Cn2cc[nH+]c2)cc1 ZINC001118557425 988436707 /nfs/dbraw/zinc/43/67/07/988436707.db2.gz DZAZCMNBGPFBDF-LLVKDONJSA-N 1 2 216.284 2.695 20 0 BFADLO CCCC(CCC)[N@@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246839684 988536731 /nfs/dbraw/zinc/53/67/31/988536731.db2.gz ZCARGFFECBVHTF-LLVKDONJSA-N 1 2 234.334 2.624 20 0 BFADLO CCCC(CCC)[N@H+]1CC[C@@H](N)C(F)(F)C1 ZINC001246839684 988536742 /nfs/dbraw/zinc/53/67/42/988536742.db2.gz ZCARGFFECBVHTF-LLVKDONJSA-N 1 2 234.334 2.624 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC001324037881 988674379 /nfs/dbraw/zinc/67/43/79/988674379.db2.gz SFLUQYPYLVOGMX-RYUDHWBXSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)no1 ZINC001324037881 988674386 /nfs/dbraw/zinc/67/43/86/988674386.db2.gz SFLUQYPYLVOGMX-RYUDHWBXSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1ccc(N2CC[C@@H](C(F)F)C2)[nH+]c1 ZINC001515719299 989106485 /nfs/dbraw/zinc/10/64/85/989106485.db2.gz BOVNQEDCRHKENY-SNVBAGLBSA-N 1 2 226.270 2.735 20 0 BFADLO CCc1ccc(N2CCC[C@H](F)C2)[nH+]c1 ZINC001515719303 989107100 /nfs/dbraw/zinc/10/71/00/989107100.db2.gz BSZBVXOYHYOLQG-NSHDSACASA-N 1 2 208.280 2.582 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC001516490845 989154377 /nfs/dbraw/zinc/15/43/77/989154377.db2.gz GSDIQIQTQMDHIK-UONOGXRCSA-N 1 2 240.306 2.542 20 0 BFADLO COc1ccc2nc(C[N@@H+]3CCC[C@@H]3C)[nH]c2c1 ZINC001249411444 989276327 /nfs/dbraw/zinc/27/63/27/989276327.db2.gz YAKSVGVHLRXFED-JTQLQIEISA-N 1 2 245.326 2.556 20 0 BFADLO COc1ccc2nc(C[N@H+]3CCC[C@@H]3C)[nH]c2c1 ZINC001249411444 989276340 /nfs/dbraw/zinc/27/63/40/989276340.db2.gz YAKSVGVHLRXFED-JTQLQIEISA-N 1 2 245.326 2.556 20 0 BFADLO C[N@H+](Cc1cc(C(C)(C)C)c[nH]1)C1(C)COC1 ZINC001249479731 989295077 /nfs/dbraw/zinc/29/50/77/989295077.db2.gz OXBLXDGODAKINK-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO C[N@@H+](Cc1cc(C(C)(C)C)c[nH]1)C1(C)COC1 ZINC001249479731 989295083 /nfs/dbraw/zinc/29/50/83/989295083.db2.gz OXBLXDGODAKINK-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO FC(F)(F)c1c[nH+]ccc1Nc1ccco1 ZINC001249586166 989318687 /nfs/dbraw/zinc/31/86/87/989318687.db2.gz LLECSHHUODAOIN-UHFFFAOYSA-N 1 2 228.173 2.859 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(F)c(N)c1C ZINC001249628789 989328041 /nfs/dbraw/zinc/32/80/41/989328041.db2.gz ASQUKHGAXKCNQB-UHFFFAOYSA-N 1 2 247.273 2.869 20 0 BFADLO CCn1c[nH+]cc1COC(=O)c1ccc(C)cc1 ZINC001520442370 989561760 /nfs/dbraw/zinc/56/17/60/989561760.db2.gz PENCAGCFFCNPDP-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCCCC1 ZINC001326630611 989637354 /nfs/dbraw/zinc/63/73/54/989637354.db2.gz BKVDQKAJLIVTJI-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO C[NH+](C)Cc1nnc([C@@H]2C[C@H]2CC(C)(C)C)o1 ZINC001326988633 989800598 /nfs/dbraw/zinc/80/05/98/989800598.db2.gz XAXYJRSMDVZUIE-VHSXEESVSA-N 1 2 237.347 2.671 20 0 BFADLO CCc1ccc(N2CCOC3(CCCC3)C2)[nH+]c1 ZINC001120909738 989961660 /nfs/dbraw/zinc/96/16/60/989961660.db2.gz HJSNYMRXMYTVQA-UHFFFAOYSA-N 1 2 246.354 2.793 20 0 BFADLO Nc1cc(N2CCCC[C@@H]2CC2CCC2)[nH+]cn1 ZINC001120948698 989983572 /nfs/dbraw/zinc/98/35/72/989983572.db2.gz AUJQRNXMSWBFSW-GFCCVEGCSA-N 1 2 246.358 2.608 20 0 BFADLO Cc1conc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC001120958511 989988142 /nfs/dbraw/zinc/98/81/42/989988142.db2.gz VXXKHIWUILEDFG-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001121138951 990021353 /nfs/dbraw/zinc/02/13/53/990021353.db2.gz GEENATYEICSHDU-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCCC12CC2 ZINC001121139236 990021932 /nfs/dbraw/zinc/02/19/32/990021932.db2.gz HXTCBMGKLKUZQC-GFCCVEGCSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001121138954 990023826 /nfs/dbraw/zinc/02/38/26/990023826.db2.gz GEENATYEICSHDU-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO CC(C)(C)CC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001123160215 990519342 /nfs/dbraw/zinc/51/93/42/990519342.db2.gz FFLHOWDCELWYQU-UHFFFAOYSA-N 1 2 238.331 2.598 20 0 BFADLO Cc1cc(C)c(NC(=O)N2C[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC001562900496 990792511 /nfs/dbraw/zinc/79/25/11/990792511.db2.gz GBFNBHWCPDHLIK-BXKDBHETSA-N 1 2 247.342 2.879 20 0 BFADLO Cc1cc(C)c(NC(=O)N2C[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC001562900497 990793740 /nfs/dbraw/zinc/79/37/40/990793740.db2.gz GBFNBHWCPDHLIK-CABZTGNLSA-N 1 2 247.342 2.879 20 0 BFADLO Cc1cccc(C[N@@H+]2CCCC(=O)CC2)c1F ZINC001137673676 990837598 /nfs/dbraw/zinc/83/75/98/990837598.db2.gz MXIPYYLBPFHLQK-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1cccc(C[N@H+]2CCCC(=O)CC2)c1F ZINC001137673676 990837601 /nfs/dbraw/zinc/83/76/01/990837601.db2.gz MXIPYYLBPFHLQK-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO CC[N@H+](Cc1cncnc1)Cc1ccccc1F ZINC001137669487 990837708 /nfs/dbraw/zinc/83/77/08/990837708.db2.gz XDTHMDGOCLDQTH-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cncnc1)Cc1ccccc1F ZINC001137669487 990837710 /nfs/dbraw/zinc/83/77/10/990837710.db2.gz XDTHMDGOCLDQTH-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Cc1cccc(C)c1C[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001137847788 990861193 /nfs/dbraw/zinc/86/11/93/990861193.db2.gz FOHKENQCJNLBMA-CHWSQXEVSA-N 1 2 225.282 2.795 20 0 BFADLO CCCc1ccc(C[NH+]2CC3(CCO3)C2)s1 ZINC001138525547 990969541 /nfs/dbraw/zinc/96/95/41/990969541.db2.gz GUBQKYQJHJPVNR-UHFFFAOYSA-N 1 2 237.368 2.675 20 0 BFADLO c1cc2cc(NCc3cscn3)[nH+]cc2[nH]1 ZINC001308451601 990998364 /nfs/dbraw/zinc/99/83/64/990998364.db2.gz ZVMVOIZSDNZKKY-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO Cc1cc(N(C)CC2CC2)nc(C2CCC2)[nH+]1 ZINC001559075405 991031331 /nfs/dbraw/zinc/03/13/31/991031331.db2.gz XAMITFBUWRWTKI-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO CC(C)c1nc(C[NH2+][C@H](C)Cc2ccco2)no1 ZINC001258171931 991070340 /nfs/dbraw/zinc/07/03/40/991070340.db2.gz FESRORIVTCCCLG-SNVBAGLBSA-N 1 2 249.314 2.507 20 0 BFADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2occc2c1 ZINC001138822331 991074824 /nfs/dbraw/zinc/07/48/24/991074824.db2.gz BOVYGKKGTVXJFM-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2occc2c1 ZINC001138822331 991074831 /nfs/dbraw/zinc/07/48/31/991074831.db2.gz BOVYGKKGTVXJFM-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO CNc1ccccc1C[NH+]1CC(OCC(C)C)C1 ZINC001308644631 991075450 /nfs/dbraw/zinc/07/54/50/991075450.db2.gz ZNGYSWADFONLPQ-UHFFFAOYSA-N 1 2 248.370 2.585 20 0 BFADLO CO[C@@H]1C[N@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822544 991077098 /nfs/dbraw/zinc/07/70/98/991077098.db2.gz IWFXZGFWSHZNDH-GXTWGEPZSA-N 1 2 249.285 2.602 20 0 BFADLO CO[C@@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822544 991077111 /nfs/dbraw/zinc/07/71/11/991077111.db2.gz IWFXZGFWSHZNDH-GXTWGEPZSA-N 1 2 249.285 2.602 20 0 BFADLO Cc1cccc2[nH]cc(C[NH+]3CCC(=O)CC3)c21 ZINC001139191807 991187886 /nfs/dbraw/zinc/18/78/86/991187886.db2.gz CZZHFRGQGVWFSO-UHFFFAOYSA-N 1 2 242.322 2.641 20 0 BFADLO CC(C)CCc1nnc(C[NH+]2CCCCC2)o1 ZINC001258256926 991193263 /nfs/dbraw/zinc/19/32/63/991193263.db2.gz UYBZRVYUJIBXEI-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1cnc(C[N@@H+](C)C2CC(F)(F)C2)s1 ZINC001139809197 991378517 /nfs/dbraw/zinc/37/85/17/991378517.db2.gz REFIPDZGLBSZKF-UHFFFAOYSA-N 1 2 232.299 2.681 20 0 BFADLO Cc1cnc(C[N@H+](C)C2CC(F)(F)C2)s1 ZINC001139809197 991378522 /nfs/dbraw/zinc/37/85/22/991378522.db2.gz REFIPDZGLBSZKF-UHFFFAOYSA-N 1 2 232.299 2.681 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ncccc2C)[nH]c1C ZINC001560221572 991425690 /nfs/dbraw/zinc/42/56/90/991425690.db2.gz ZRUDOWMWLDNMHE-LBPRGKRZSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1[nH]c(CN[C@@H](C)c2ncccc2C)[nH+]c1C ZINC001560221572 991425697 /nfs/dbraw/zinc/42/56/97/991425697.db2.gz ZRUDOWMWLDNMHE-LBPRGKRZSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1cccnc1[C@H](C)[NH2+]Cc1nccs1 ZINC001560221382 991426872 /nfs/dbraw/zinc/42/68/72/991426872.db2.gz UOUNCYCQGYCHGI-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1coc(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC001560251183 991445147 /nfs/dbraw/zinc/44/51/47/991445147.db2.gz GJYDVVNRSGLPID-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO Fc1cnc(Cl)c(C[NH2+]Cc2ccoc2)c1 ZINC001560489416 991486551 /nfs/dbraw/zinc/48/65/51/991486551.db2.gz NQJUIPMTPYDASA-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001140045052 991497490 /nfs/dbraw/zinc/49/74/90/991497490.db2.gz AZTVOKSICHGFHQ-UHFFFAOYSA-N 1 2 221.275 2.517 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC001140050972 991501900 /nfs/dbraw/zinc/50/19/00/991501900.db2.gz QTCXFIMLOXDQJW-UHFFFAOYSA-N 1 2 245.244 2.762 20 0 BFADLO Cl/C=C\C[NH2+]Cc1nc2ccccc2o1 ZINC001560611813 991514543 /nfs/dbraw/zinc/51/45/43/991514543.db2.gz MFVXIHNNBCMTGS-UTCJRWHESA-N 1 2 222.675 2.670 20 0 BFADLO Cl/C=C/C[NH2+]Cc1nc2ccccc2o1 ZINC001560611814 991514595 /nfs/dbraw/zinc/51/45/95/991514595.db2.gz MFVXIHNNBCMTGS-ZZXKWVIFSA-N 1 2 222.675 2.670 20 0 BFADLO C[N@H+](Cc1ccncc1)Cc1ccc(O)cc1F ZINC001140124899 991526461 /nfs/dbraw/zinc/52/64/61/991526461.db2.gz XONIONBSOQRIBO-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1ccncc1)Cc1ccc(O)cc1F ZINC001140124899 991526468 /nfs/dbraw/zinc/52/64/68/991526468.db2.gz XONIONBSOQRIBO-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(O)cc2F)C1 ZINC001140124509 991527495 /nfs/dbraw/zinc/52/74/95/991527495.db2.gz NFMJIABMCUVBNZ-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)cc2F)C1 ZINC001140124509 991527503 /nfs/dbraw/zinc/52/75/03/991527503.db2.gz NFMJIABMCUVBNZ-CYBMUJFWSA-N 1 2 241.281 2.855 20 0 BFADLO Fc1cccc(C[N@H+]2CCCC[C@@H](F)C2)n1 ZINC001140131872 991530805 /nfs/dbraw/zinc/53/08/05/991530805.db2.gz XKRGHDISGZVNDL-SNVBAGLBSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cccc(C[N@@H+]2CCCC[C@@H](F)C2)n1 ZINC001140131872 991530817 /nfs/dbraw/zinc/53/08/17/991530817.db2.gz XKRGHDISGZVNDL-SNVBAGLBSA-N 1 2 226.270 2.545 20 0 BFADLO Oc1ccc(C[NH+]2CC(C3CC3)C2)c(F)c1F ZINC001560857027 991624766 /nfs/dbraw/zinc/62/47/66/991624766.db2.gz VTBAPAPBLPVOCJ-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001140478270 991651075 /nfs/dbraw/zinc/65/10/75/991651075.db2.gz NKEJXIMUEGARBW-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO COc1cc(F)cc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001140478270 991651080 /nfs/dbraw/zinc/65/10/80/991651080.db2.gz NKEJXIMUEGARBW-RNCFNFMXSA-N 1 2 241.281 2.624 20 0 BFADLO CCOc1cc(C)c(Nc2[nH+]cccc2N)cn1 ZINC001203042344 991654842 /nfs/dbraw/zinc/65/48/42/991654842.db2.gz WWGBAUXHRMRIFM-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258798924 991796208 /nfs/dbraw/zinc/79/62/08/991796208.db2.gz ZEKLKGUCHBBNRB-TUAOUCFPSA-N 1 2 229.339 2.814 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258798924 991796217 /nfs/dbraw/zinc/79/62/17/991796217.db2.gz ZEKLKGUCHBBNRB-TUAOUCFPSA-N 1 2 229.339 2.814 20 0 BFADLO CCC1(CNC(=O)[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001319143534 991799733 /nfs/dbraw/zinc/79/97/33/991799733.db2.gz VHVDOSQXSIQPHV-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO CC1(C)C[N@H+](Cc2cn(C3CCC3)nn2)C1(C)C ZINC001261675835 992459816 /nfs/dbraw/zinc/45/98/16/992459816.db2.gz PLGPEVMFJBWCPR-UHFFFAOYSA-N 1 2 248.374 2.624 20 0 BFADLO CC1(C)C[N@@H+](Cc2cn(C3CCC3)nn2)C1(C)C ZINC001261675835 992459822 /nfs/dbraw/zinc/45/98/22/992459822.db2.gz PLGPEVMFJBWCPR-UHFFFAOYSA-N 1 2 248.374 2.624 20 0 BFADLO Cc1cccnc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC001261850242 992544771 /nfs/dbraw/zinc/54/47/71/992544771.db2.gz FHDHDAGVHYNBDP-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO CCc1ccc(N2CC[C@@H]([C@H]3CCCO3)C2)[nH+]c1 ZINC001262705436 993048009 /nfs/dbraw/zinc/04/80/09/993048009.db2.gz IOBPATMYTBRNSF-ZIAGYGMSSA-N 1 2 246.354 2.649 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001262805538 993068061 /nfs/dbraw/zinc/06/80/61/993068061.db2.gz UPJOIPPPMBSSBN-XFXZXTDPSA-N 1 2 232.327 2.805 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CCCC(C)C ZINC001262805479 993068623 /nfs/dbraw/zinc/06/86/23/993068623.db2.gz SEVDBULCJTYQNI-UHFFFAOYSA-N 1 2 234.343 2.885 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NC[C@H]1CCC=CO1 ZINC000379986462 993302627 /nfs/dbraw/zinc/30/26/27/993302627.db2.gz KWVREUJYJPJESC-GFCCVEGCSA-N 1 2 248.326 2.973 20 0 BFADLO CCC[C@H](C)CC(=O)OCc1c[nH+]cn1CC ZINC001263663200 993454981 /nfs/dbraw/zinc/45/49/81/993454981.db2.gz XDWPNTKOWGWYHW-NSHDSACASA-N 1 2 238.331 2.773 20 0 BFADLO Cc1cc(N2CC[C@@](C)(O)C2)[nH+]c2ccccc12 ZINC000384954785 993641497 /nfs/dbraw/zinc/64/14/97/993641497.db2.gz GUAGUJPKJBRQFW-OAHLLOKOSA-N 1 2 242.322 2.504 20 0 BFADLO CN(C)c1ccc(Nc2ccc(N)cc2F)c[nH+]1 ZINC000387178722 993700804 /nfs/dbraw/zinc/70/08/04/993700804.db2.gz JRKQZPUVUICGIC-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO Cc1cc(N)ccc1Nc1ccc(N(C)C)[nH+]c1 ZINC000387222536 993705561 /nfs/dbraw/zinc/70/55/61/993705561.db2.gz SWJUBALQLROABI-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO CC1(C)C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000390795182 993802690 /nfs/dbraw/zinc/80/26/90/993802690.db2.gz HWULSRBBMHSLQE-UHFFFAOYSA-N 1 2 218.275 2.539 20 0 BFADLO Cc1cc(NC2(C)CC2)nc(C2CC2)[nH+]1 ZINC000393619016 993971657 /nfs/dbraw/zinc/97/16/57/993971657.db2.gz LIQRFXWKRSOQRQ-UHFFFAOYSA-N 1 2 203.289 2.627 20 0 BFADLO Cc1cc(C)c(C(=O)NC/C=C/C2CC2)c(C)[nH+]1 ZINC001332575326 994235945 /nfs/dbraw/zinc/23/59/45/994235945.db2.gz HXZXRVWVJKNKRJ-SNAWJCMRSA-N 1 2 244.338 2.703 20 0 BFADLO CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001292862692 994630163 /nfs/dbraw/zinc/63/01/63/994630163.db2.gz WIZIVCFWYVHDKD-UHFFFAOYSA-N 1 2 243.310 2.919 20 0 BFADLO CCc1cn(CC[C@H](O)c2ccccc2)c[nH+]1 ZINC001307397758 995345118 /nfs/dbraw/zinc/34/51/18/995345118.db2.gz UOTUQYBAEFQJLQ-AWEZNQCLSA-N 1 2 230.311 2.569 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2ccsc2C1 ZINC001308136775 995566232 /nfs/dbraw/zinc/56/62/32/995566232.db2.gz XIRQYNGVYNZTSS-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1conc1C[N@H+]1CCc2ccsc2C1 ZINC001308136775 995566240 /nfs/dbraw/zinc/56/62/40/995566240.db2.gz XIRQYNGVYNZTSS-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000299673033 398150784 /nfs/dbraw/zinc/15/07/84/398150784.db2.gz RAXPTOGSOKVEBO-SECBINFHSA-N 1 2 231.299 2.627 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3ccccc3C2)no1 ZINC000061744233 178003885 /nfs/dbraw/zinc/00/38/85/178003885.db2.gz VPKADBZOCCHSPE-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cc(C[N@H+]2CCc3ccccc3C2)no1 ZINC000061744233 178003886 /nfs/dbraw/zinc/00/38/86/178003886.db2.gz VPKADBZOCCHSPE-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2csc(C)n2)on1 ZINC000044986573 178031063 /nfs/dbraw/zinc/03/10/63/178031063.db2.gz PJPLVEKNTDVROC-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3C2)co1 ZINC000647955275 398172093 /nfs/dbraw/zinc/17/20/93/398172093.db2.gz KYAXLWFKCBELLD-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3C2)co1 ZINC000647955275 398172095 /nfs/dbraw/zinc/17/20/95/398172095.db2.gz KYAXLWFKCBELLD-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@H]2C2CCCC2)cc[nH+]1 ZINC000649882830 398164393 /nfs/dbraw/zinc/16/43/93/398164393.db2.gz DGPNCLMLECJXRX-KBPBESRZSA-N 1 2 244.338 2.577 20 0 BFADLO Cc1cc(Cl)ccc1NCc1[nH]cc[nH+]1 ZINC000049714614 178069186 /nfs/dbraw/zinc/06/91/86/178069186.db2.gz FJUJZHQOOLDKDS-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000252115921 398185591 /nfs/dbraw/zinc/18/55/91/398185591.db2.gz INHVTQNWWZHFEE-MRVWCRGKSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1ccc(N(C)C)[nH+]c1 ZINC000083390376 398185809 /nfs/dbraw/zinc/18/58/09/398185809.db2.gz UQCBVGJCLKXMID-ZYHUDNBSSA-N 1 2 219.332 2.748 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2nnsc2Cl)CC1 ZINC000063308432 349516861 /nfs/dbraw/zinc/51/68/61/349516861.db2.gz ANXATFSBJYUPBD-QMMMGPOBSA-N 1 2 245.779 2.814 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2nnsc2Cl)CC1 ZINC000063308432 349516863 /nfs/dbraw/zinc/51/68/63/349516863.db2.gz ANXATFSBJYUPBD-QMMMGPOBSA-N 1 2 245.779 2.814 20 0 BFADLO Cc1cc(F)ccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294202450 178090604 /nfs/dbraw/zinc/09/06/04/178090604.db2.gz SYZZIUZOUSQYMS-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)[C@H]1CCOC1 ZINC000164937695 178094831 /nfs/dbraw/zinc/09/48/31/178094831.db2.gz RKCIWIVFVKNSKT-STQMWFEESA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000164937695 178094834 /nfs/dbraw/zinc/09/48/34/178094834.db2.gz RKCIWIVFVKNSKT-STQMWFEESA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000301292324 178100241 /nfs/dbraw/zinc/10/02/41/178100241.db2.gz ULJONQQZOWTNAS-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N)nc(SCCSC(C)C)[nH+]1 ZINC000282155149 178109092 /nfs/dbraw/zinc/10/90/92/178109092.db2.gz GBTCZVGWRKMBER-UHFFFAOYSA-N 1 2 243.401 2.601 20 0 BFADLO Cc1cc(N)nc(S[C@H](C)C(C)C)[nH+]1 ZINC000307263594 178109871 /nfs/dbraw/zinc/10/98/71/178109871.db2.gz VTLGZUATBCQPEK-MRVPVSSYSA-N 1 2 211.334 2.504 20 0 BFADLO Cc1cc(N2CCC[C@@H]2C2CCC2)nc[nH+]1 ZINC000301232079 178114115 /nfs/dbraw/zinc/11/41/15/178114115.db2.gz JOFVXIYZAMLYMY-GFCCVEGCSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CC[C@@H](c3ccccc3)C2)nc[nH+]1 ZINC000301229003 178117397 /nfs/dbraw/zinc/11/73/97/178117397.db2.gz GNSHRKNPNBQBHK-CQSZACIVSA-N 1 2 239.322 2.779 20 0 BFADLO Cc1cc(N2CC[C@@H](CC(F)(F)F)C2)nc[nH+]1 ZINC000336418742 178118307 /nfs/dbraw/zinc/11/83/07/178118307.db2.gz JXZBCFCDUGIBPV-VIFPVBQESA-N 1 2 245.248 2.564 20 0 BFADLO Cc1cc(N2CC[C@H](c3ccccc3)C2)nc[nH+]1 ZINC000301229002 178119632 /nfs/dbraw/zinc/11/96/32/178119632.db2.gz GNSHRKNPNBQBHK-AWEZNQCLSA-N 1 2 239.322 2.779 20 0 BFADLO Cc1cc(N2CC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000265397954 178120091 /nfs/dbraw/zinc/12/00/91/178120091.db2.gz WZWGIMQVXWRORV-VIFPVBQESA-N 1 2 217.316 2.509 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000267678778 178120908 /nfs/dbraw/zinc/12/09/08/178120908.db2.gz PABKPINCKSFWKF-NXEZZACHSA-N 1 2 231.343 2.755 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301597691 178122156 /nfs/dbraw/zinc/12/21/56/178122156.db2.gz XBRJMKHBRYNFEO-JHJVBQTASA-N 1 2 231.343 2.942 20 0 BFADLO Cc1cc(N2C[C@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000336611666 178122721 /nfs/dbraw/zinc/12/27/21/178122721.db2.gz FWKCUKMQDWAMRI-NEPJUHHUSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(=O)CC[C@H]2CCCCO2)cc[nH+]1 ZINC000111546664 178129047 /nfs/dbraw/zinc/12/90/47/178129047.db2.gz JVPSGXXRPRGAPW-CYBMUJFWSA-N 1 2 248.326 2.678 20 0 BFADLO CCC(CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266078954 168340826 /nfs/dbraw/zinc/34/08/26/168340826.db2.gz KWRGYGWXTWGXDR-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000119953331 178136947 /nfs/dbraw/zinc/13/69/47/178136947.db2.gz HMNPYAHMOTUJEC-MNOVXSKESA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000120215877 178137078 /nfs/dbraw/zinc/13/70/78/178137078.db2.gz MPCAFAXMARMGKN-TXEJJXNPSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1cc(NC(=O)N2C[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000271179900 178137614 /nfs/dbraw/zinc/13/76/14/178137614.db2.gz ZUBRHAHPGDCYSL-NXEZZACHSA-N 1 2 233.315 2.510 20 0 BFADLO Cc1cc(NC(=O)NCCC(C)(F)F)cc[nH+]1 ZINC000297867226 178138320 /nfs/dbraw/zinc/13/83/20/178138320.db2.gz URGFHEKYOITKFH-UHFFFAOYSA-N 1 2 243.257 2.557 20 0 BFADLO Cc1cc(NCCc2ccccc2C)nc[nH+]1 ZINC000096471313 178162833 /nfs/dbraw/zinc/16/28/33/178162833.db2.gz ZNIAJLYVXDOHTJ-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO Cc1cc(NCCc2cccc(F)c2)nc[nH+]1 ZINC000040727220 178163199 /nfs/dbraw/zinc/16/31/99/178163199.db2.gz ZJSNBVMBECEHKU-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1cc(N[C@H]2CCCOCC2)nc(C2CC2)[nH+]1 ZINC000183000278 178189124 /nfs/dbraw/zinc/18/91/24/178189124.db2.gz YSVDYYZTZWXBTK-LBPRGKRZSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cc(NCc2ccc(F)cc2)nc[nH+]1 ZINC000040727071 178171558 /nfs/dbraw/zinc/17/15/58/178171558.db2.gz WHTBKUJFECEPPH-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1cc(N[C@@H](C)CF)nc(-c2cccnc2)[nH+]1 ZINC000288307837 178178395 /nfs/dbraw/zinc/17/83/95/178178395.db2.gz SXJHCMCJKRDFEA-JTQLQIEISA-N 1 2 246.289 2.617 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ncccn2)s1 ZINC000576410412 365589888 /nfs/dbraw/zinc/58/98/88/365589888.db2.gz JYHYCEQHGAGRAN-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000040727133 178188726 /nfs/dbraw/zinc/18/87/26/178188726.db2.gz JEZSRHBTOSLBJU-ONGXEEELSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(N[C@H](C)c2cn[nH]c2)nc(C2CC2)[nH+]1 ZINC000270245031 178187120 /nfs/dbraw/zinc/18/71/20/178187120.db2.gz QZBCCAHMFPUKGI-SECBINFHSA-N 1 2 243.314 2.559 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000302028977 178190615 /nfs/dbraw/zinc/19/06/15/178190615.db2.gz JBJIWERNIRWYCW-PWSUYJOCSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1cc(Nc2ccc3c(c2)COC3)nc(C)[nH+]1 ZINC000133762667 178191529 /nfs/dbraw/zinc/19/15/29/178191529.db2.gz IQTGMAVAVGXZQU-UHFFFAOYSA-N 1 2 241.294 2.867 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000052291364 178191720 /nfs/dbraw/zinc/19/17/20/178191720.db2.gz FSXMRGDGMHDKPO-WPRPVWTQSA-N 1 2 205.305 2.729 20 0 BFADLO Cc1cc(Nc2ccc3n[nH]cc3c2)nc(C)[nH+]1 ZINC000301077427 178191735 /nfs/dbraw/zinc/19/17/35/178191735.db2.gz LWQTUZGISFCTIJ-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)ccc1F ZINC000061115300 178192576 /nfs/dbraw/zinc/19/25/76/178192576.db2.gz MZWQARDJULNOCX-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1nc(NC2(CF)CCC2)c2c([nH+]1)CCCC2 ZINC000564904046 398226189 /nfs/dbraw/zinc/22/61/89/398226189.db2.gz BFXNVWYBBIBAGM-UHFFFAOYSA-N 1 2 249.333 2.968 20 0 BFADLO Cc1ccc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)cc1F ZINC000625555327 343988272 /nfs/dbraw/zinc/98/82/72/343988272.db2.gz SSJIYHCSWSUQJF-VXGBXAGGSA-N 1 2 249.329 2.791 20 0 BFADLO CC[C@@H](C)[C@H](CNc1ccc(OC)c[nH+]1)OC ZINC000381154347 398228230 /nfs/dbraw/zinc/22/82/30/398228230.db2.gz MFEGOOPXXRUYES-PWSUYJOCSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)no1 ZINC000283675662 178233441 /nfs/dbraw/zinc/23/34/41/178233441.db2.gz YQIBOQRNDCFYLG-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421402347 192331172 /nfs/dbraw/zinc/33/11/72/192331172.db2.gz MQHZBZPNGBVWIV-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421402347 192331174 /nfs/dbraw/zinc/33/11/74/192331174.db2.gz MQHZBZPNGBVWIV-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1sccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421408705 192332151 /nfs/dbraw/zinc/33/21/51/192332151.db2.gz YXTLVEPYVJDCFJ-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Clc1sccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421408705 192332153 /nfs/dbraw/zinc/33/21/53/192332153.db2.gz YXTLVEPYVJDCFJ-LLVKDONJSA-N 1 2 243.759 2.766 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncc(C)n2C)c(C)o1 ZINC000341052590 178228352 /nfs/dbraw/zinc/22/83/52/178228352.db2.gz TVEVTDPBHVJEAP-LLVKDONJSA-N 1 2 247.342 2.789 20 0 BFADLO Cc1cc([C@@H](C)NCc2[nH+]cc(C)n2C)c(C)o1 ZINC000341052590 178228354 /nfs/dbraw/zinc/22/83/54/178228354.db2.gz TVEVTDPBHVJEAP-LLVKDONJSA-N 1 2 247.342 2.789 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccncc2F)no1 ZINC000340384418 178230467 /nfs/dbraw/zinc/23/04/67/178230467.db2.gz OHYVTXUGNZIUCJ-VHSXEESVSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nnc(C)o2)c(C)o1 ZINC000183794430 178232998 /nfs/dbraw/zinc/23/29/98/178232998.db2.gz DKEULDAVHOJSGE-RKDXNWHRSA-N 1 2 249.314 3.000 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CCCC1CC1 ZINC000643520189 398234800 /nfs/dbraw/zinc/23/48/00/398234800.db2.gz GAXQWCBKQCIJHG-UHFFFAOYSA-N 1 2 232.327 2.585 20 0 BFADLO Cc1cc(NC(=O)NCCCC(C)C)cc[nH+]1 ZINC000179815130 259305233 /nfs/dbraw/zinc/30/52/33/259305233.db2.gz UGYBPZQMSPMBSB-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165710109 538936851 /nfs/dbraw/zinc/93/68/51/538936851.db2.gz IAAJTSGJHXXRSS-VXGBXAGGSA-N 1 2 245.326 2.708 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccco2)no1 ZINC000371395003 178240501 /nfs/dbraw/zinc/24/05/01/178240501.db2.gz BYCYSONOGATYRY-ZDUSSCGKSA-N 1 2 232.283 2.913 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccco2)no1 ZINC000371395003 178240503 /nfs/dbraw/zinc/24/05/03/178240503.db2.gz BYCYSONOGATYRY-ZDUSSCGKSA-N 1 2 232.283 2.913 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165710242 538937109 /nfs/dbraw/zinc/93/71/09/538937109.db2.gz IAAJTSGJHXXRSS-RYUDHWBXSA-N 1 2 245.326 2.708 20 0 BFADLO CCCOCCOc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000649434803 398236224 /nfs/dbraw/zinc/23/62/24/398236224.db2.gz ZRHDVCBBHQMSRS-UHFFFAOYSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2csnn2)c(C)o1 ZINC000044729746 178251537 /nfs/dbraw/zinc/25/15/37/178251537.db2.gz BFWRXEBYRQMHAM-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cnccc2C)no1 ZINC000337278588 178252302 /nfs/dbraw/zinc/25/23/02/178252302.db2.gz GEBFFMBQDSZFLI-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2scnc2C)no1 ZINC000330364518 178252386 /nfs/dbraw/zinc/25/23/86/178252386.db2.gz QCUMTEQOUUFRRN-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Fc1cccc(CNc2cccc[nH+]2)c1F ZINC000165877627 538938099 /nfs/dbraw/zinc/93/80/99/538938099.db2.gz JQCYNTOBOTZKNN-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO CCC(CC)C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000050506399 168363326 /nfs/dbraw/zinc/36/33/26/168363326.db2.gz KCYDXTMRWFGIHW-CQSZACIVSA-N 1 2 249.354 2.927 20 0 BFADLO CCC(CC)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302920303 168364135 /nfs/dbraw/zinc/36/41/35/168364135.db2.gz ZDQJNDSVMNTGQU-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCC(CC)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302920303 168364137 /nfs/dbraw/zinc/36/41/37/168364137.db2.gz ZDQJNDSVMNTGQU-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCOCc1ccc(-c2c[nH+]cn2C)cc1F ZINC000649438434 398240361 /nfs/dbraw/zinc/24/03/61/398240361.db2.gz AJUCQDTURBRHDK-UHFFFAOYSA-N 1 2 234.274 2.763 20 0 BFADLO COCc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000285981307 538942815 /nfs/dbraw/zinc/94/28/15/538942815.db2.gz GPRPBTLTSAXEMS-SNVBAGLBSA-N 1 2 231.299 2.729 20 0 BFADLO Cc1nc(N2CCCC[C@H]2C2CCC2)cc[nH+]1 ZINC000645410495 398248380 /nfs/dbraw/zinc/24/83/80/398248380.db2.gz LYHBUEXLYAKDAT-ZDUSSCGKSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc2[nH+]cn([C@H](C)[C@H](C)O)c2cc1C ZINC000044183903 178305955 /nfs/dbraw/zinc/30/59/55/178305955.db2.gz OGHDURNJTIMPRL-MNOVXSKESA-N 1 2 218.300 2.595 20 0 BFADLO Cc1cc2[nH+]cn(C[C@H]3CCCO3)c2cc1C ZINC000130722820 178306055 /nfs/dbraw/zinc/30/60/55/178306055.db2.gz KXQGZWGIWWMRIY-GFCCVEGCSA-N 1 2 230.311 2.832 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)C(F)F)cs1 ZINC000381328226 398253012 /nfs/dbraw/zinc/25/30/12/398253012.db2.gz YGMXVYQLSGFXEN-SSDOTTSWSA-N 1 2 205.273 2.800 20 0 BFADLO CCc1ccccc1C[NH2+][C@H](C)c1nnc(C)o1 ZINC000576674636 365655255 /nfs/dbraw/zinc/65/52/55/365655255.db2.gz NMLMKWIWLRZZRX-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccnc([C@H](C)[NH2+]Cc2ncccc2F)c1 ZINC000576724806 365670571 /nfs/dbraw/zinc/67/05/71/365670571.db2.gz BQUXLNBYOKYXGS-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO CCC[C@H](CNc1ccc(C)[nH+]c1C)OC ZINC000386629926 398265589 /nfs/dbraw/zinc/26/55/89/398265589.db2.gz ZVSDUHHRHRHMEV-GFCCVEGCSA-N 1 2 222.332 2.925 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000378753029 346826948 /nfs/dbraw/zinc/82/69/48/346826948.db2.gz QAIUUMXMUWZIKK-UHFFFAOYSA-N 1 2 239.187 2.849 20 0 BFADLO COCc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000378789741 346836968 /nfs/dbraw/zinc/83/69/68/346836968.db2.gz MYIJQFUHYQQHRX-UHFFFAOYSA-N 1 2 229.270 2.578 20 0 BFADLO CCC[C@H](CNc1ccc2ccccc2[nH+]1)OC ZINC000378838895 346844188 /nfs/dbraw/zinc/84/41/88/346844188.db2.gz WURLBCZTTRWLLC-CYBMUJFWSA-N 1 2 244.338 2.884 20 0 BFADLO OCC[N@H+](CCC1CCCCCC1)CC(F)F ZINC000561962191 323009455 /nfs/dbraw/zinc/00/94/55/323009455.db2.gz SOUDVNOHOJCUQG-UHFFFAOYSA-N 1 2 249.345 2.906 20 0 BFADLO OCC[N@@H+](CCC1CCCCCC1)CC(F)F ZINC000561962191 323009456 /nfs/dbraw/zinc/00/94/56/323009456.db2.gz SOUDVNOHOJCUQG-UHFFFAOYSA-N 1 2 249.345 2.906 20 0 BFADLO CCc1cnc(C[NH2+]Cc2ccco2)s1 ZINC000164903874 361833576 /nfs/dbraw/zinc/83/35/76/361833576.db2.gz RSYPHOQQNQCGRU-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO CCCCC[N@H+](CCCOC)CC(F)F ZINC000183291722 538966513 /nfs/dbraw/zinc/96/65/13/538966513.db2.gz NGEGMJZOTVWJMA-UHFFFAOYSA-N 1 2 223.307 2.780 20 0 BFADLO CCCCC[N@@H+](CCCOC)CC(F)F ZINC000183291722 538966515 /nfs/dbraw/zinc/96/65/15/538966515.db2.gz NGEGMJZOTVWJMA-UHFFFAOYSA-N 1 2 223.307 2.780 20 0 BFADLO Cc1cc(CNC(=O)C2CC3(CC3)C2)cc(C)[nH+]1 ZINC000616362904 342721346 /nfs/dbraw/zinc/72/13/46/342721346.db2.gz CUMWJVSMYIEJEI-UHFFFAOYSA-N 1 2 244.338 2.505 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(=O)OC ZINC000083381212 398280697 /nfs/dbraw/zinc/28/06/97/398280697.db2.gz SSZZQNHBFIUXKH-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO CC[C@H](C)CC[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000394407542 342772245 /nfs/dbraw/zinc/77/22/45/342772245.db2.gz MJDHHGXVAUMIIB-JSGCOSHPSA-N 1 2 249.354 2.927 20 0 BFADLO CCc1nc(C[N@@H+]2CCSC[C@@H]2C)cs1 ZINC000172591273 346862062 /nfs/dbraw/zinc/86/20/62/346862062.db2.gz YPRHEYAAFUHDDZ-VIFPVBQESA-N 1 2 242.413 2.643 20 0 BFADLO CCc1nc(C[N@H+]2CCSC[C@@H]2C)cs1 ZINC000172591273 346862065 /nfs/dbraw/zinc/86/20/65/346862065.db2.gz YPRHEYAAFUHDDZ-VIFPVBQESA-N 1 2 242.413 2.643 20 0 BFADLO OCc1cc(F)ccc1-c1c[nH+]c2n1CCCC2 ZINC000630053532 361923594 /nfs/dbraw/zinc/92/35/94/361923594.db2.gz QOHUJGCQSTXKDX-UHFFFAOYSA-N 1 2 246.285 2.518 20 0 BFADLO CO[C@H]1C[C@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000624735072 342824292 /nfs/dbraw/zinc/82/42/92/342824292.db2.gz YODOZQRJWWMCOK-KYZUINATSA-N 1 2 226.707 2.633 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000341697280 168397991 /nfs/dbraw/zinc/39/79/91/168397991.db2.gz HJTIUDUQMVXQGH-LLVKDONJSA-N 1 2 234.343 2.823 20 0 BFADLO CCN(CCCn1cc[nH+]c1)c1cccc(O)c1 ZINC000191572613 538993173 /nfs/dbraw/zinc/99/31/73/538993173.db2.gz LCBXHTMMYRCXHR-UHFFFAOYSA-N 1 2 245.326 2.505 20 0 BFADLO CCC(CC)Sc1[nH+]cnc2c1cnn2C ZINC000170640276 168397047 /nfs/dbraw/zinc/39/70/47/168397047.db2.gz IQVRHVDZKJLCMI-UHFFFAOYSA-N 1 2 236.344 2.644 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)C1CC1 ZINC000379999346 538983115 /nfs/dbraw/zinc/98/31/15/538983115.db2.gz LTTNNRRFEKMJMV-NSHDSACASA-N 1 2 206.289 2.691 20 0 BFADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000381485044 539002078 /nfs/dbraw/zinc/00/20/78/539002078.db2.gz UWGBTTBRALUCJB-OIBJUYFYSA-N 1 2 229.274 2.557 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000640723587 361961662 /nfs/dbraw/zinc/96/16/62/361961662.db2.gz LEKLALHDPBJFLQ-TUAOUCFPSA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@@H](NC(=O)c1csc(C)c1)c1[nH]cc[nH+]1 ZINC000381210695 538996728 /nfs/dbraw/zinc/99/67/28/538996728.db2.gz OHOZCFXKGDSAKG-SNVBAGLBSA-N 1 2 249.339 2.661 20 0 BFADLO Oc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000381298804 538997761 /nfs/dbraw/zinc/99/77/61/538997761.db2.gz BVMYOTWSFBFGFR-NSHDSACASA-N 1 2 227.254 2.670 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)nc1 ZINC000381413052 539000320 /nfs/dbraw/zinc/00/03/20/539000320.db2.gz VCMFJPSIDDTDNG-LLVKDONJSA-N 1 2 226.270 2.667 20 0 BFADLO COc1ccc(NCc2ccc(Cl)o2)[nH+]c1 ZINC000390470959 539022322 /nfs/dbraw/zinc/02/23/22/539022322.db2.gz JEEOGHIMVLFGKL-UHFFFAOYSA-N 1 2 238.674 2.949 20 0 BFADLO CC(C)Oc1ncccc1CNc1cccc[nH+]1 ZINC000042338397 361982072 /nfs/dbraw/zinc/98/20/72/361982072.db2.gz HBFRGZBYHGKTBM-UHFFFAOYSA-N 1 2 243.310 2.876 20 0 BFADLO CC(C)([NH2+]Cc1cccs1)C(F)F ZINC000388630278 539015227 /nfs/dbraw/zinc/01/52/27/539015227.db2.gz KRUGZYXLADNHPI-UHFFFAOYSA-N 1 2 205.273 2.881 20 0 BFADLO CC[C@@H](Nc1nc[nH+]c(N)c1Cl)C(C)(C)C ZINC000390142943 539019732 /nfs/dbraw/zinc/01/97/32/539019732.db2.gz PQHJNYIMZUXLKS-SSDOTTSWSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@@H](Nc1[nH+]cnc(N)c1Cl)C(C)(C)C ZINC000390142943 539019733 /nfs/dbraw/zinc/01/97/33/539019733.db2.gz PQHJNYIMZUXLKS-SSDOTTSWSA-N 1 2 242.754 2.949 20 0 BFADLO CC(C)[C@H](C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625062340 342847723 /nfs/dbraw/zinc/84/77/23/342847723.db2.gz YGKSRLWFGSGUNY-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)[C@H](C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625062340 342847725 /nfs/dbraw/zinc/84/77/25/342847725.db2.gz YGKSRLWFGSGUNY-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CCC1CC[NH+](Cc2noc(C3CCC3)n2)CC1 ZINC000625094928 342852124 /nfs/dbraw/zinc/85/21/24/342852124.db2.gz CUPPJELKSNRRLP-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCOC1(C)CN(c2cc3ccccc3c[nH+]2)C1 ZINC000631286279 342854187 /nfs/dbraw/zinc/85/41/87/342854187.db2.gz SVZGQKBUUQXWCX-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCCCOCCCNc1cc(CC)[nH+]cn1 ZINC000134587135 342871164 /nfs/dbraw/zinc/87/11/64/342871164.db2.gz XZMSZCNGAQBVNU-UHFFFAOYSA-N 1 2 237.347 2.658 20 0 BFADLO Cn1cc(C[N@H+](C)Cc2ccccc2Cl)cn1 ZINC000014191604 342877724 /nfs/dbraw/zinc/87/77/24/342877724.db2.gz AOJLUPUHVYSZKN-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cc(C[N@@H+](C)Cc2ccccc2Cl)cn1 ZINC000014191604 342877726 /nfs/dbraw/zinc/87/77/26/342877726.db2.gz AOJLUPUHVYSZKN-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2[C@H](C)C2(F)F)c(C)[nH+]1 ZINC000336474933 398319319 /nfs/dbraw/zinc/31/93/19/398319319.db2.gz MLIPMMKOJDCLCS-OIBJUYFYSA-N 1 2 240.253 2.538 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@@H](F)C2)[nH+]1 ZINC000631290334 342889653 /nfs/dbraw/zinc/88/96/53/342889653.db2.gz QIRDKXRWNMEVKA-SECBINFHSA-N 1 2 248.305 2.630 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC(C)(C)C ZINC000602611951 349635631 /nfs/dbraw/zinc/63/56/31/349635631.db2.gz OQHPNWJNRCQBBG-GHMZBOCLSA-N 1 2 239.359 2.639 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1F ZINC000045785467 342923211 /nfs/dbraw/zinc/92/32/11/342923211.db2.gz PCWFNPDPVCFVDE-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(F)c1F ZINC000045785467 342923213 /nfs/dbraw/zinc/92/32/13/342923213.db2.gz PCWFNPDPVCFVDE-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000625228627 342923332 /nfs/dbraw/zinc/92/33/32/342923332.db2.gz YRYMXJXJZOEJKW-TXEJJXNPSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000625228627 342923333 /nfs/dbraw/zinc/92/33/33/342923333.db2.gz YRYMXJXJZOEJKW-TXEJJXNPSA-N 1 2 247.342 2.569 20 0 BFADLO CC(C)[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221365 342918460 /nfs/dbraw/zinc/91/84/60/342918460.db2.gz CPFHISSHYVXXJR-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221365 342918462 /nfs/dbraw/zinc/91/84/62/342918462.db2.gz CPFHISSHYVXXJR-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CCC2(CCC2)C1 ZINC000625220660 342919452 /nfs/dbraw/zinc/91/94/52/342919452.db2.gz CLSZDCAFLOYLPE-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CCC2(CCC2)C1 ZINC000625220660 342919453 /nfs/dbraw/zinc/91/94/53/342919453.db2.gz CLSZDCAFLOYLPE-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1noc(C2CCC2)n1 ZINC000625225069 342921177 /nfs/dbraw/zinc/92/11/77/342921177.db2.gz VICWPLPLYFKIPI-NXEZZACHSA-N 1 2 235.331 2.710 20 0 BFADLO Cn1ncc2ccc(CNc3cccc[nH+]3)cc21 ZINC000564639917 344010319 /nfs/dbraw/zinc/01/03/19/344010319.db2.gz ZIZPPEUBGBOIAI-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CC[C@H](O)CCNc1[nH+]ccc2ccc(F)cc21 ZINC000354852901 398330832 /nfs/dbraw/zinc/33/08/32/398330832.db2.gz RJGXCOBELRWFSJ-LBPRGKRZSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)o1 ZINC000336143589 398345100 /nfs/dbraw/zinc/34/51/00/398345100.db2.gz ZBDABBGSBGSOHT-BXKDBHETSA-N 1 2 231.299 2.580 20 0 BFADLO COC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000019885497 342961504 /nfs/dbraw/zinc/96/15/04/342961504.db2.gz DSTZGEPSMXZZFH-CYBMUJFWSA-N 1 2 235.327 2.536 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccs1 ZINC000037878790 342990795 /nfs/dbraw/zinc/99/07/95/342990795.db2.gz HNPWEOZKMCTINB-VIFPVBQESA-N 1 2 221.329 2.630 20 0 BFADLO CC[C@H](C)CSCc1ccc[nH+]c1N ZINC000234019235 343002632 /nfs/dbraw/zinc/00/26/32/343002632.db2.gz NZUIUBRAYKRWFW-VIFPVBQESA-N 1 2 210.346 2.943 20 0 BFADLO Cc1cc(Nc2ncccn2)ccc1[NH+](C)C ZINC000067447558 362031200 /nfs/dbraw/zinc/03/12/00/362031200.db2.gz JFZVCGKAAUQCCE-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO C[C@H](CC(=O)N[C@@H]1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000576880323 365713227 /nfs/dbraw/zinc/71/32/27/365713227.db2.gz ULHWQGSSDJVTJD-JHJVBQTASA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCc3occc32)no1 ZINC000124014848 343166337 /nfs/dbraw/zinc/16/63/37/343166337.db2.gz YIPVKKSEQGBBNG-GFCCVEGCSA-N 1 2 232.283 2.743 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000625344122 343239854 /nfs/dbraw/zinc/23/98/54/343239854.db2.gz RCVVRHPFFPQKPR-ZYHUDNBSSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000625344122 343239855 /nfs/dbraw/zinc/23/98/55/343239855.db2.gz RCVVRHPFFPQKPR-ZYHUDNBSSA-N 1 2 247.342 2.712 20 0 BFADLO Clc1ccc(C[NH2+]Cc2csnn2)s1 ZINC000070599713 343333965 /nfs/dbraw/zinc/33/39/65/343333965.db2.gz PJELDLGZRYQGER-UHFFFAOYSA-N 1 2 245.760 2.543 20 0 BFADLO CCC(C)(C)c1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641052603 362162437 /nfs/dbraw/zinc/16/24/37/362162437.db2.gz TZGUMWAIVHORKA-UHFFFAOYSA-N 1 2 244.342 2.717 20 0 BFADLO CCOc1ccc([NH2+]CC(C)C)cc1CO ZINC000037901457 343360138 /nfs/dbraw/zinc/36/01/38/343360138.db2.gz CBDXOBJIIXVKJR-UHFFFAOYSA-N 1 2 223.316 2.646 20 0 BFADLO CC(C)c1cnc(C[NH+]2CC(C)C2)s1 ZINC000335675385 136318062 /nfs/dbraw/zinc/31/80/62/136318062.db2.gz LUQMWEJBKUCCOI-UHFFFAOYSA-N 1 2 210.346 2.718 20 0 BFADLO C[NH+](C)[C@@H](c1nc(C2CC2)no1)c1ccccc1 ZINC000348910978 136307074 /nfs/dbraw/zinc/30/70/74/136307074.db2.gz XQASLHQVZLRIBP-GFCCVEGCSA-N 1 2 243.310 2.598 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000272134594 536877972 /nfs/dbraw/zinc/87/79/72/536877972.db2.gz KXEUZZSQNAYASQ-NWDGAFQWSA-N 1 2 248.370 2.904 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000272134594 536877981 /nfs/dbraw/zinc/87/79/81/536877981.db2.gz KXEUZZSQNAYASQ-NWDGAFQWSA-N 1 2 248.370 2.904 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000040465815 343404799 /nfs/dbraw/zinc/40/47/99/343404799.db2.gz ARQLHYUDNMREHZ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)no1 ZINC000040465815 343404800 /nfs/dbraw/zinc/40/48/00/343404800.db2.gz ARQLHYUDNMREHZ-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1ccc(NC(=O)c2cccnc2C)c(C)[nH+]1 ZINC000335685818 136330242 /nfs/dbraw/zinc/33/02/42/136330242.db2.gz PDOJRQGDWZJMNU-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)C(F)(F)F)c(C)[nH+]1 ZINC000335685897 136330319 /nfs/dbraw/zinc/33/03/19/136330319.db2.gz IATHTQYVQSIDAR-SSDOTTSWSA-N 1 2 246.232 2.835 20 0 BFADLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000350439244 136360425 /nfs/dbraw/zinc/36/04/25/136360425.db2.gz MTOZZSIJDVYLNW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000350439244 136360426 /nfs/dbraw/zinc/36/04/26/136360426.db2.gz MTOZZSIJDVYLNW-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO COCc1ccccc1C[NH2+]C1CC(C)C1 ZINC000166616356 136361847 /nfs/dbraw/zinc/36/18/47/136361847.db2.gz BJOANVHSSOKNAR-UHFFFAOYSA-N 1 2 219.328 2.721 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)o1 ZINC000350519385 136361870 /nfs/dbraw/zinc/36/18/70/136361870.db2.gz YXQBBIBRWCIYGT-ZYHUDNBSSA-N 1 2 247.342 2.603 20 0 BFADLO Cc1nc(NC2C(C)(C)C2(C)C)cc[nH+]1 ZINC000086240514 343615734 /nfs/dbraw/zinc/61/57/34/343615734.db2.gz FJHYFQYBDVFYKQ-UHFFFAOYSA-N 1 2 205.305 2.632 20 0 BFADLO C/C=C\CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631392044 343612152 /nfs/dbraw/zinc/61/21/52/343612152.db2.gz WEPSZGUJQUTRAQ-IHWYPQMZSA-N 1 2 228.299 2.775 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000052893094 343641228 /nfs/dbraw/zinc/64/12/28/343641228.db2.gz REQTTYJZSPOJQL-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000052893094 343641229 /nfs/dbraw/zinc/64/12/29/343641229.db2.gz REQTTYJZSPOJQL-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO C[N@H+](Cc1cn[nH]c1)Cc1sccc1Cl ZINC000683830788 488228897 /nfs/dbraw/zinc/22/88/97/488228897.db2.gz WRCWDULLXJCDPL-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO C[N@@H+](Cc1cn[nH]c1)Cc1sccc1Cl ZINC000683830788 488228900 /nfs/dbraw/zinc/22/89/00/488228900.db2.gz WRCWDULLXJCDPL-UHFFFAOYSA-N 1 2 241.747 2.757 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1nccn1C ZINC000057600828 343691156 /nfs/dbraw/zinc/69/11/56/343691156.db2.gz JESCTRZONWHUTK-UHFFFAOYSA-N 1 2 235.356 2.504 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1nccn1C ZINC000057600828 343691158 /nfs/dbraw/zinc/69/11/58/343691158.db2.gz JESCTRZONWHUTK-UHFFFAOYSA-N 1 2 235.356 2.504 20 0 BFADLO CCOCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000057625042 343691476 /nfs/dbraw/zinc/69/14/76/343691476.db2.gz WEZHHOQOTXAKSS-UHFFFAOYSA-N 1 2 249.310 2.911 20 0 BFADLO Cc1cc(CNC(=O)[C@@H](C)C(C)(C)C)cc(C)[nH+]1 ZINC000421573622 192364217 /nfs/dbraw/zinc/36/42/17/192364217.db2.gz BSUVTONOMWBSSX-GFCCVEGCSA-N 1 2 248.370 2.997 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)C1CC(C)(C)C1 ZINC000507502561 529815056 /nfs/dbraw/zinc/81/50/56/529815056.db2.gz CLBJIJIOMXCETH-UHFFFAOYSA-N 1 2 247.342 2.522 20 0 BFADLO CCC1CCC([N@H+](CCO)CC(F)F)CC1 ZINC000232891581 537811205 /nfs/dbraw/zinc/81/12/05/537811205.db2.gz IHTPDSSRJOMTKW-UHFFFAOYSA-N 1 2 235.318 2.515 20 0 BFADLO CCC1CCC([N@@H+](CCO)CC(F)F)CC1 ZINC000232891581 537811212 /nfs/dbraw/zinc/81/12/12/537811212.db2.gz IHTPDSSRJOMTKW-UHFFFAOYSA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccon1 ZINC000336444404 537810603 /nfs/dbraw/zinc/81/06/03/537810603.db2.gz ZNDLQWYFSZGDRS-SCZZXKLOSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccon1 ZINC000336444404 537810607 /nfs/dbraw/zinc/81/06/07/537810607.db2.gz ZNDLQWYFSZGDRS-SCZZXKLOSA-N 1 2 248.248 2.837 20 0 BFADLO CCCCN(CCCC)c1cc(NC)[nH+]cn1 ZINC000127276717 343787563 /nfs/dbraw/zinc/78/75/63/343787563.db2.gz BTTOXYJSIPQTFB-UHFFFAOYSA-N 1 2 236.363 2.925 20 0 BFADLO CCCCN(CCCC)c1cc(NC)nc[nH+]1 ZINC000127276717 343787565 /nfs/dbraw/zinc/78/75/65/343787565.db2.gz BTTOXYJSIPQTFB-UHFFFAOYSA-N 1 2 236.363 2.925 20 0 BFADLO CCCn1ccc(C[NH2+]CC(C)(F)F)c1 ZINC000393450457 343875612 /nfs/dbraw/zinc/87/56/12/343875612.db2.gz WKYVXXRAGBHCBE-UHFFFAOYSA-N 1 2 216.275 2.643 20 0 BFADLO CCO[C@@H](C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000625511388 343913528 /nfs/dbraw/zinc/91/35/28/343913528.db2.gz SCJHFBNXEPBGLI-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CCO[C@@H](C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000625511388 343913530 /nfs/dbraw/zinc/91/35/30/343913530.db2.gz SCJHFBNXEPBGLI-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccsc2)o1 ZINC000628122785 343975386 /nfs/dbraw/zinc/97/53/86/343975386.db2.gz MZBSANBEBPFTIP-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccsc2)o1 ZINC000628122785 343975390 /nfs/dbraw/zinc/97/53/90/343975390.db2.gz MZBSANBEBPFTIP-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC[C@@H](C)C2)no1 ZINC000187967180 259371796 /nfs/dbraw/zinc/37/17/96/259371796.db2.gz YQPHYMVTLVBXSD-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC[C@@H](C)C2)no1 ZINC000187967180 259371797 /nfs/dbraw/zinc/37/17/97/259371797.db2.gz YQPHYMVTLVBXSD-LLVKDONJSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC[C@H](C)C2)no1 ZINC000187967210 259371892 /nfs/dbraw/zinc/37/18/92/259371892.db2.gz YQPHYMVTLVBXSD-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC[C@H](C)C2)no1 ZINC000187967210 259371893 /nfs/dbraw/zinc/37/18/93/259371893.db2.gz YQPHYMVTLVBXSD-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H](C(F)(F)F)C1 ZINC000641258748 362336336 /nfs/dbraw/zinc/33/63/36/362336336.db2.gz VKTYOODNGVNVBP-QMMMGPOBSA-N 1 2 248.223 2.999 20 0 BFADLO C[N@H+](Cc1ccno1)Cc1ccc(F)c(F)c1 ZINC000078887249 344103844 /nfs/dbraw/zinc/10/38/44/344103844.db2.gz YPGLGWTWOIMIIG-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO C[N@@H+](Cc1ccno1)Cc1ccc(F)c(F)c1 ZINC000078887249 344103846 /nfs/dbraw/zinc/10/38/46/344103846.db2.gz YPGLGWTWOIMIIG-UHFFFAOYSA-N 1 2 238.237 2.585 20 0 BFADLO C[C@H](Cc1ccsc1)Nc1cc[nH+]cc1F ZINC000641304275 362353346 /nfs/dbraw/zinc/35/33/46/362353346.db2.gz OXIVJZOEKVTEPH-SECBINFHSA-N 1 2 236.315 2.747 20 0 BFADLO CCCCc1cc(NC2CCC2)nc[nH+]1 ZINC000631112577 344171175 /nfs/dbraw/zinc/17/11/75/344171175.db2.gz WPGKPPMQVDXXOZ-UHFFFAOYSA-N 1 2 205.305 2.784 20 0 BFADLO Fc1c[nH+]ccc1N(Cc1cccnc1)C1CC1 ZINC000641303937 362357531 /nfs/dbraw/zinc/35/75/31/362357531.db2.gz LLKDPZGCXZOWSH-UHFFFAOYSA-N 1 2 243.285 2.785 20 0 BFADLO Cc1c[nH]c(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000628128677 344156380 /nfs/dbraw/zinc/15/63/80/344156380.db2.gz RDKLXKMWQYHJLD-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1c[nH]c(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000628128677 344156381 /nfs/dbraw/zinc/15/63/81/344156381.db2.gz RDKLXKMWQYHJLD-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000628131629 344158859 /nfs/dbraw/zinc/15/88/59/344158859.db2.gz DEUNYABRYYHDAM-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC000628131629 344158860 /nfs/dbraw/zinc/15/88/60/344158860.db2.gz DEUNYABRYYHDAM-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Clc1ccccc1CNc1c[nH]c[nH+]1 ZINC000306501700 344220424 /nfs/dbraw/zinc/22/04/24/344220424.db2.gz OAQDMWVFAXQSAJ-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO CSCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131324479 344231477 /nfs/dbraw/zinc/23/14/77/344231477.db2.gz QRVGUWCFBNWPJJ-UHFFFAOYSA-N 1 2 228.267 2.678 20 0 BFADLO CC(C)n1ccc(C[NH2+]Cc2ccccc2F)n1 ZINC000084225401 344190064 /nfs/dbraw/zinc/19/00/64/344190064.db2.gz XVZVFGFEFPPLDJ-UHFFFAOYSA-N 1 2 247.317 2.893 20 0 BFADLO COc1ccccc1CSCCn1cc[nH+]c1 ZINC000090199462 344267410 /nfs/dbraw/zinc/26/74/10/344267410.db2.gz XGKMLIYXNOPXAG-UHFFFAOYSA-N 1 2 248.351 2.825 20 0 BFADLO c1nc(C2CCC2)sc1CNc1c[nH]c[nH+]1 ZINC000309375225 347043445 /nfs/dbraw/zinc/04/34/45/347043445.db2.gz RCSTVYHTFAEPTL-UHFFFAOYSA-N 1 2 234.328 2.746 20 0 BFADLO C[C@@H](Cc1ccsc1)Nc1c[nH]c[nH+]1 ZINC000306633524 344328310 /nfs/dbraw/zinc/32/83/10/344328310.db2.gz RRKZHQFIIOSGDW-QMMMGPOBSA-N 1 2 207.302 2.514 20 0 BFADLO COc1cc[nH+]cc1CSC[C@H]1C[C@@H]1C ZINC000600631052 344345901 /nfs/dbraw/zinc/34/59/01/344345901.db2.gz BDDUPQREDJCWQQ-VHSXEESVSA-N 1 2 223.341 2.979 20 0 BFADLO CCc1cc(NCc2cccs2)nc[nH+]1 ZINC000040765081 344304203 /nfs/dbraw/zinc/30/42/03/344304203.db2.gz LGGPXECJWXWXNG-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO CC(C)n1cc([C@H](C)Nc2cc[nH+]cc2F)cn1 ZINC000641373436 362381525 /nfs/dbraw/zinc/38/15/25/362381525.db2.gz NXFJCZZRAWGDCS-JTQLQIEISA-N 1 2 248.305 2.593 20 0 BFADLO CSCC[C@H](C)N(C)c1cc[nH+]cc1F ZINC000603304490 349909876 /nfs/dbraw/zinc/90/98/76/349909876.db2.gz UUBJDQLNFBXYLA-VIFPVBQESA-N 1 2 228.336 2.799 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC000641401142 362394422 /nfs/dbraw/zinc/39/44/22/362394422.db2.gz XISNRJRVYFYRIM-MGPQQGTHSA-N 1 2 246.354 2.955 20 0 BFADLO CCO[C@H](CCNc1cc[nH+]cc1F)C(C)C ZINC000641410282 362400978 /nfs/dbraw/zinc/40/09/78/362400978.db2.gz WQWKUCPXVBGNJJ-CYBMUJFWSA-N 1 2 240.322 2.506 20 0 BFADLO CCCc1ccc(C[N@H+](C)CC(=O)OCC)cc1 ZINC000259099666 344539945 /nfs/dbraw/zinc/53/99/45/344539945.db2.gz OGFAQKGHDGZQRV-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCCc1ccc(C[N@@H+](C)CC(=O)OCC)cc1 ZINC000259099666 344539948 /nfs/dbraw/zinc/53/99/48/344539948.db2.gz OGFAQKGHDGZQRV-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCCC1(CNc2cc(CO)cc[nH+]2)CC1 ZINC000641438691 362419188 /nfs/dbraw/zinc/41/91/88/362419188.db2.gz RNGMZNKTWNVPSK-UHFFFAOYSA-N 1 2 220.316 2.566 20 0 BFADLO Fc1c[nH+]ccc1N1CC=C(C(F)(F)F)CC1 ZINC000641461698 362435306 /nfs/dbraw/zinc/43/53/06/362435306.db2.gz CXAKEHQSTJPRPI-UHFFFAOYSA-N 1 2 246.207 2.920 20 0 BFADLO CC1=C(C)CN(c2cc[nH+]cc2F)CC1 ZINC000641548649 362491100 /nfs/dbraw/zinc/49/11/00/362491100.db2.gz OQVSXEGOFAEOSL-UHFFFAOYSA-N 1 2 206.264 2.767 20 0 BFADLO CS[C@@H]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000603295949 349915206 /nfs/dbraw/zinc/91/52/06/349915206.db2.gz XJBKFVJLACVAHO-VHSXEESVSA-N 1 2 240.347 2.729 20 0 BFADLO C[C@@H]1[C@H](C)C[N@H+](Cc2nnsc2Cl)[C@H]1C ZINC000306956852 344640379 /nfs/dbraw/zinc/64/03/79/344640379.db2.gz SFBPMQOGOLMBSJ-PRJMDXOYSA-N 1 2 245.779 2.668 20 0 BFADLO C[C@@H]1[C@H](C)C[N@@H+](Cc2nnsc2Cl)[C@H]1C ZINC000306956852 344640380 /nfs/dbraw/zinc/64/03/80/344640380.db2.gz SFBPMQOGOLMBSJ-PRJMDXOYSA-N 1 2 245.779 2.668 20 0 BFADLO Cc1nc(N2CC[C@H](CC(C)C)C2)cc[nH+]1 ZINC000075061240 344764138 /nfs/dbraw/zinc/76/41/38/344764138.db2.gz BCMZVSOKYKSMNZ-GFCCVEGCSA-N 1 2 219.332 2.657 20 0 BFADLO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ncc[nH]1 ZINC000138999279 537858012 /nfs/dbraw/zinc/85/80/12/537858012.db2.gz ZTEXAXORXKVPFA-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO O[C@H](CNc1cccc[nH+]1)c1ccccc1Cl ZINC000077231329 344819102 /nfs/dbraw/zinc/81/91/02/344819102.db2.gz RFUVGQOMRFSLLT-GFCCVEGCSA-N 1 2 248.713 2.881 20 0 BFADLO O[C@@H](CNc1cccc[nH+]1)c1ccccc1Cl ZINC000077231331 344819149 /nfs/dbraw/zinc/81/91/49/344819149.db2.gz RFUVGQOMRFSLLT-LBPRGKRZSA-N 1 2 248.713 2.881 20 0 BFADLO Cc1nc(N2CCCCC[C@H]2C)cc[nH+]1 ZINC000078260819 344838277 /nfs/dbraw/zinc/83/82/77/344838277.db2.gz QIMBKGXIDPTHCM-SNVBAGLBSA-N 1 2 205.305 2.554 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)CCC(C)(C)C ZINC000078066604 344829832 /nfs/dbraw/zinc/82/98/32/344829832.db2.gz SOVXMIMEUIABML-UHFFFAOYSA-N 1 2 249.358 2.912 20 0 BFADLO CCCN(Cc1[nH]c(C)c(C)[nH+]1)CC(F)F ZINC000628160154 344859024 /nfs/dbraw/zinc/85/90/24/344859024.db2.gz LDLGQPBADZFQDM-UHFFFAOYSA-N 1 2 231.290 2.504 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCCc2occc2C1 ZINC000583392202 344875596 /nfs/dbraw/zinc/87/55/96/344875596.db2.gz YKHKJPUTHCVLMS-UHFFFAOYSA-N 1 2 243.310 2.639 20 0 BFADLO Cn1cccc1C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628181795 344920842 /nfs/dbraw/zinc/92/08/42/344920842.db2.gz QODKWMFZBIMQCY-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1cccc1C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628181795 344920843 /nfs/dbraw/zinc/92/08/43/344920843.db2.gz QODKWMFZBIMQCY-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cnc(C2CC2)o1 ZINC000628188039 344940717 /nfs/dbraw/zinc/94/07/17/344940717.db2.gz LHFYEFFQBDVSDA-UHFFFAOYSA-N 1 2 231.299 2.512 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cnc(C2CC2)o1 ZINC000628188039 344940720 /nfs/dbraw/zinc/94/07/20/344940720.db2.gz LHFYEFFQBDVSDA-UHFFFAOYSA-N 1 2 231.299 2.512 20 0 BFADLO Cc1c[nH]c(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000628188451 344943007 /nfs/dbraw/zinc/94/30/07/344943007.db2.gz AUNZFTXXHJIWOD-IAQYHMDHSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000628188451 344943008 /nfs/dbraw/zinc/94/30/08/344943008.db2.gz AUNZFTXXHJIWOD-IAQYHMDHSA-N 1 2 241.338 2.911 20 0 BFADLO CC1=C[C@H](C)CN(c2cc[nH+]cc2F)C1 ZINC000641549187 362497765 /nfs/dbraw/zinc/49/77/65/362497765.db2.gz RZBSLEGCICQWIB-VIFPVBQESA-N 1 2 206.264 2.623 20 0 BFADLO Fc1c[nH+]ccc1NC[C@H]1CCCC(F)(F)C1 ZINC000641556380 362500568 /nfs/dbraw/zinc/50/05/68/362500568.db2.gz VSFADKXXBJJWAC-VIFPVBQESA-N 1 2 244.260 2.880 20 0 BFADLO C[C@@H](Nc1cc(CO)cc[nH+]1)c1ccsc1 ZINC000641558929 362504501 /nfs/dbraw/zinc/50/45/01/362504501.db2.gz ZMTQFPKCGKLEGY-SECBINFHSA-N 1 2 234.324 2.809 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccs2)o1 ZINC000079876268 345048079 /nfs/dbraw/zinc/04/80/79/345048079.db2.gz AHXCWQBOGNBEKE-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccs2)o1 ZINC000079876268 345048080 /nfs/dbraw/zinc/04/80/80/345048080.db2.gz AHXCWQBOGNBEKE-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1CSCCO ZINC000418855010 192083591 /nfs/dbraw/zinc/08/35/91/192083591.db2.gz UJEVXTWRBSHCIB-UHFFFAOYSA-N 1 2 225.357 2.739 20 0 BFADLO Cc1cc(N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)nc[nH+]1 ZINC000155305107 345077101 /nfs/dbraw/zinc/07/71/01/345077101.db2.gz MNWWOGSQHLUYJA-SNPRPXQTSA-N 1 2 237.306 2.535 20 0 BFADLO OCc1cc[nH+]c(NC[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000641633477 362561381 /nfs/dbraw/zinc/56/13/81/362561381.db2.gz RNLISJVGVUQWRS-KBPBESRZSA-N 1 2 246.354 2.812 20 0 BFADLO OCc1cc[nH+]c(NC[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000641633481 362562131 /nfs/dbraw/zinc/56/21/31/362562131.db2.gz RNLISJVGVUQWRS-UONOGXRCSA-N 1 2 246.354 2.812 20 0 BFADLO Nc1[nH+]cccc1CSCCC(F)(F)F ZINC000603330327 349925169 /nfs/dbraw/zinc/92/51/69/349925169.db2.gz NWMSQDOVBSBBDX-UHFFFAOYSA-N 1 2 236.262 2.849 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2ccccc2Cl)[C@H]1C ZINC000156113723 345129155 /nfs/dbraw/zinc/12/91/55/345129155.db2.gz FWMFXFNSKKGWLG-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2ccccc2Cl)[C@H]1C ZINC000156113723 345129156 /nfs/dbraw/zinc/12/91/56/345129156.db2.gz FWMFXFNSKKGWLG-WDEREUQCSA-N 1 2 239.746 2.949 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000132103595 345316819 /nfs/dbraw/zinc/31/68/19/345316819.db2.gz YWBXJHKBZXOXIG-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000132103595 345316820 /nfs/dbraw/zinc/31/68/20/345316820.db2.gz YWBXJHKBZXOXIG-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO Cc1nc(N[C@H]2C[C@@]2(F)c2ccccc2)cc[nH+]1 ZINC000425273450 192087537 /nfs/dbraw/zinc/08/75/37/192087537.db2.gz OKNUSQMVEWWTFP-GXTWGEPZSA-N 1 2 243.285 2.834 20 0 BFADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC000562400170 345378772 /nfs/dbraw/zinc/37/87/72/345378772.db2.gz BEULGRRYVOIIDC-UHFFFAOYSA-N 1 2 225.336 2.597 20 0 BFADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)(C)C ZINC000562400170 345378774 /nfs/dbraw/zinc/37/87/74/345378774.db2.gz BEULGRRYVOIIDC-UHFFFAOYSA-N 1 2 225.336 2.597 20 0 BFADLO COC[C@H](Cc1ccccc1)Nc1cccc[nH+]1 ZINC000080683481 345428893 /nfs/dbraw/zinc/42/88/93/345428893.db2.gz SASQWAHPBCULRQ-AWEZNQCLSA-N 1 2 242.322 2.751 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C)C2)[nH+]1 ZINC000080761781 345449510 /nfs/dbraw/zinc/44/95/10/345449510.db2.gz YWYFRETWHDROIC-SECBINFHSA-N 1 2 230.315 2.503 20 0 BFADLO CC(C)(C)c1nc(NCC2CC2)cc[nH+]1 ZINC000080768049 345449742 /nfs/dbraw/zinc/44/97/42/345449742.db2.gz QBRYQBJDODCORH-UHFFFAOYSA-N 1 2 205.305 2.596 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)C1(F)F ZINC000641675746 362595590 /nfs/dbraw/zinc/59/55/90/362595590.db2.gz CKSJJEXPGKAACH-RKDXNWHRSA-N 1 2 244.260 2.948 20 0 BFADLO CC(C)CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000082277310 345501217 /nfs/dbraw/zinc/50/12/17/345501217.db2.gz GBBFMWXOUAWHRQ-LLVKDONJSA-N 1 2 235.331 2.509 20 0 BFADLO OCc1cc[nH+]c(N2CCC[C@H](C3CCC3)C2)c1 ZINC000641667514 362588811 /nfs/dbraw/zinc/58/88/11/362588811.db2.gz FNCDLWVQJDTXPX-AWEZNQCLSA-N 1 2 246.354 2.590 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H]2C)[nH+]1 ZINC000080980336 345457536 /nfs/dbraw/zinc/45/75/36/345457536.db2.gz LKAHBKXPVBOWLY-GZMMTYOYSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1cc(CNc2cc[nH+]c3ccncc23)no1 ZINC000085658645 345528599 /nfs/dbraw/zinc/52/85/99/345528599.db2.gz GJIGSGJBQPFGDP-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO Cc1noc(C)c1CCCNc1cccc[nH+]1 ZINC000084928512 345530383 /nfs/dbraw/zinc/53/03/83/345530383.db2.gz XRDMEADTQCAXNI-UHFFFAOYSA-N 1 2 231.299 2.731 20 0 BFADLO CC[C@@](C)([NH2+]C[C@H]1CCCOC1)C(F)(F)F ZINC000381365500 345552220 /nfs/dbraw/zinc/55/22/20/345552220.db2.gz GUIQQARSNHQJKP-NXEZZACHSA-N 1 2 239.281 2.734 20 0 BFADLO Cc1ccc(CCNc2ncccc2F)c[nH+]1 ZINC000084486442 345514897 /nfs/dbraw/zinc/51/48/97/345514897.db2.gz YZHIQRQZNLMUQC-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO CCN(C[C@@H]1CCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000091458033 345592973 /nfs/dbraw/zinc/59/29/73/345592973.db2.gz CTEUDQKDWNUZFU-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO Cc1ocnc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000092692188 345636090 /nfs/dbraw/zinc/63/60/90/345636090.db2.gz UEURGIVLSGRRLL-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO Cc1ncc(Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000641713711 362620820 /nfs/dbraw/zinc/62/08/20/362620820.db2.gz QRLSNJHCDOQYAB-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO COC[C@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000641719631 362635467 /nfs/dbraw/zinc/63/54/67/362635467.db2.gz XNACDTWFCGWMTL-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+]CC(C)(F)F ZINC000378859353 345691051 /nfs/dbraw/zinc/69/10/51/345691051.db2.gz NMIPTDUMUAPIPE-VIFPVBQESA-N 1 2 214.259 2.696 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H]1C(C)C ZINC000381412004 345813212 /nfs/dbraw/zinc/81/32/12/345813212.db2.gz UWRHNQGEQOBDQZ-GHMZBOCLSA-N 1 2 220.316 2.937 20 0 BFADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ncc[nH]1 ZINC000138959470 345790209 /nfs/dbraw/zinc/79/02/09/345790209.db2.gz RSVZFRBESDBORC-JBLDHEPKSA-N 1 2 245.326 2.977 20 0 BFADLO C[C@@H](NC(=O)c1cccc(Cl)c1)c1[nH]cc[nH+]1 ZINC000141004103 345828117 /nfs/dbraw/zinc/82/81/17/345828117.db2.gz XLPKPRAOFFXHSZ-MRVPVSSYSA-N 1 2 249.701 2.554 20 0 BFADLO CNc1cc(NC2CCCCCC2)[nH+]cn1 ZINC000087808655 345942308 /nfs/dbraw/zinc/94/23/08/345942308.db2.gz GEAGMMSSKCCEPG-UHFFFAOYSA-N 1 2 220.320 2.653 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccc1F)c1nccn1C ZINC000182203137 347088978 /nfs/dbraw/zinc/08/89/78/347088978.db2.gz NHFJSZYEIOWONI-CYBMUJFWSA-N 1 2 247.317 2.800 20 0 BFADLO Cc1nc(C)c(CNc2ccc(C)[nH+]c2)o1 ZINC000628229571 346178563 /nfs/dbraw/zinc/17/85/63/346178563.db2.gz ZHJZOFUQHOITLC-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1nc(C)c(CNc2c[nH+]ccc2C)o1 ZINC000628229863 346178869 /nfs/dbraw/zinc/17/88/69/346178869.db2.gz KSLOWZUBSPUEEC-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1nc(C)c(CNc2ccc(C)[nH+]c2C)o1 ZINC000628229830 346179014 /nfs/dbraw/zinc/17/90/14/346179014.db2.gz JTHOHFWZVORXIL-UHFFFAOYSA-N 1 2 231.299 2.915 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2COc3ccc(C)cc32)o1 ZINC000628228856 346178050 /nfs/dbraw/zinc/17/80/50/346178050.db2.gz CCSRDTHBGHCPOM-CYBMUJFWSA-N 1 2 244.294 2.515 20 0 BFADLO Cc1[nH]c(CN2CCc3c2cccc3F)[nH+]c1C ZINC000628239299 346200042 /nfs/dbraw/zinc/20/00/42/346200042.db2.gz LCSGFUIWNHVTGO-UHFFFAOYSA-N 1 2 245.301 2.728 20 0 BFADLO CC[C@@H](C)CC(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563285105 323108535 /nfs/dbraw/zinc/10/85/35/323108535.db2.gz WWCXELDZFXABPH-SECBINFHSA-N 1 2 237.347 2.506 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000628235042 346188612 /nfs/dbraw/zinc/18/86/12/346188612.db2.gz XFAWCXYTGVLRHE-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@@H](C)c2ccccn2)o1 ZINC000628235042 346188615 /nfs/dbraw/zinc/18/86/15/346188615.db2.gz XFAWCXYTGVLRHE-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1c[nH]c(CN2CCCc3ccc(C)cc32)[nH+]1 ZINC000628236068 346190150 /nfs/dbraw/zinc/19/01/50/346190150.db2.gz OSEHKEZMMYGDHU-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO Cc1c[nH]c(CN2CCCc3c(C)cccc32)[nH+]1 ZINC000628236192 346190209 /nfs/dbraw/zinc/19/02/09/346190209.db2.gz SVDXBYGOKZIGIN-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO Cc1ccc([C@H](C)C[NH+]2CC(F)C2)cc1 ZINC000628237208 346193477 /nfs/dbraw/zinc/19/34/77/346193477.db2.gz FSYHYOQJWSDFPR-LLVKDONJSA-N 1 2 207.292 2.752 20 0 BFADLO CC[N@@H+](Cc1cccc2n[nH]cc21)CC(F)F ZINC000628237965 346195191 /nfs/dbraw/zinc/19/51/91/346195191.db2.gz GFFXFLMNVNNPJW-UHFFFAOYSA-N 1 2 239.269 2.650 20 0 BFADLO CC[N@H+](Cc1cccc2n[nH]cc21)CC(F)F ZINC000628237965 346195193 /nfs/dbraw/zinc/19/51/93/346195193.db2.gz GFFXFLMNVNNPJW-UHFFFAOYSA-N 1 2 239.269 2.650 20 0 BFADLO CCc1cc(N(C)C[C@@H](C)CC)nc[nH+]1 ZINC000603395081 349945236 /nfs/dbraw/zinc/94/52/36/349945236.db2.gz PXZWCWFCYWPMHG-JTQLQIEISA-N 1 2 207.321 2.521 20 0 BFADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000626162344 346273391 /nfs/dbraw/zinc/27/33/91/346273391.db2.gz SNDCZCUHQVUFHY-FHMRSRPSSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C\C[C@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000626162344 346273393 /nfs/dbraw/zinc/27/33/93/346273393.db2.gz SNDCZCUHQVUFHY-FHMRSRPSSA-N 1 2 249.358 2.810 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000626163833 346275936 /nfs/dbraw/zinc/27/59/36/346275936.db2.gz RGFVBPTXYMLEGJ-OTDNITJGSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000626163833 346275940 /nfs/dbraw/zinc/27/59/40/346275940.db2.gz RGFVBPTXYMLEGJ-OTDNITJGSA-N 1 2 237.372 2.716 20 0 BFADLO CC1(CNc2cc3ccccc3c[nH+]2)COC1 ZINC000631116598 346283166 /nfs/dbraw/zinc/28/31/66/346283166.db2.gz CZXXLFXOISLGKA-UHFFFAOYSA-N 1 2 228.295 2.683 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)o1 ZINC000628283292 346295033 /nfs/dbraw/zinc/29/50/33/346295033.db2.gz NVCOJRUUXMMTMF-XPTSAGLGSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1[nH]c(CN2CCCc3occc3C2)[nH+]c1C ZINC000628284056 346295083 /nfs/dbraw/zinc/29/50/83/346295083.db2.gz YBENHZZNPFUPHH-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3occc3C2)[nH]c1C ZINC000628284056 346295084 /nfs/dbraw/zinc/29/50/84/346295084.db2.gz YBENHZZNPFUPHH-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3occc3C2)[nH]c1C ZINC000628284056 346295086 /nfs/dbraw/zinc/29/50/86/346295086.db2.gz YBENHZZNPFUPHH-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO CCc1c[nH]c(CC(=O)Nc2csc(C)c2)[nH+]1 ZINC000636328846 346398561 /nfs/dbraw/zinc/39/85/61/346398561.db2.gz FSCDVADCOIDEBX-UHFFFAOYSA-N 1 2 249.339 2.523 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)sc1C ZINC000679217962 488317845 /nfs/dbraw/zinc/31/78/45/488317845.db2.gz BTACFKXWEAPAEE-KCJUWKMLSA-N 1 2 242.363 2.940 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)sc1C ZINC000679217962 488317847 /nfs/dbraw/zinc/31/78/47/488317847.db2.gz BTACFKXWEAPAEE-KCJUWKMLSA-N 1 2 242.363 2.940 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1cccc(C)n1 ZINC000336718226 179067483 /nfs/dbraw/zinc/06/74/83/179067483.db2.gz UTKPWNRVFFEJFT-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1cccc(C)n1 ZINC000336718226 179067484 /nfs/dbraw/zinc/06/74/84/179067484.db2.gz UTKPWNRVFFEJFT-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCC(C)=C(C)C2)cc[nH+]1 ZINC000574917710 346410632 /nfs/dbraw/zinc/41/06/32/346410632.db2.gz OEVOWVWGDKFSET-CYBMUJFWSA-N 1 2 244.338 2.887 20 0 BFADLO C[C@@H](N[C@@H](C)C(F)F)c1cn2ccccc2[nH+]1 ZINC000641792245 362726050 /nfs/dbraw/zinc/72/60/50/362726050.db2.gz STCDALMIVUTTPL-BDAKNGLRSA-N 1 2 239.269 2.639 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000641791324 362730002 /nfs/dbraw/zinc/73/00/02/362730002.db2.gz GVHGQAHRTWHNLT-RITPCOANSA-N 1 2 220.288 2.756 20 0 BFADLO CC[N@H+](CCc1cccs1)CC(F)F ZINC000603412431 349961477 /nfs/dbraw/zinc/96/14/77/349961477.db2.gz IKCAHMLWFGGGCK-UHFFFAOYSA-N 1 2 219.300 2.878 20 0 BFADLO CC[N@@H+](CCc1cccs1)CC(F)F ZINC000603412431 349961480 /nfs/dbraw/zinc/96/14/80/349961480.db2.gz IKCAHMLWFGGGCK-UHFFFAOYSA-N 1 2 219.300 2.878 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccn[nH]2)cs1 ZINC000381615958 346439498 /nfs/dbraw/zinc/43/94/98/346439498.db2.gz QGQYUZLSPZMBNG-SECBINFHSA-N 1 2 221.329 2.630 20 0 BFADLO Cc1cccc(C[NH2+]Cc2ccc(Cl)o2)n1 ZINC000048329757 179093803 /nfs/dbraw/zinc/09/38/03/179093803.db2.gz BEDCCPLXFNWAFW-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2)no1 ZINC000182322772 347092238 /nfs/dbraw/zinc/09/22/38/347092238.db2.gz GRRKNSVQVNCTRC-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO Cc1ccc2[nH+]c(CN3CCC[C@H](F)C3)cn2c1 ZINC000580084718 346516705 /nfs/dbraw/zinc/51/67/05/346516705.db2.gz WKHSCQRDRUJUBU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CCC[C@H](F)C3)cn2c1 ZINC000580084718 346516710 /nfs/dbraw/zinc/51/67/10/346516710.db2.gz WKHSCQRDRUJUBU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CCC[C@H](F)C3)cn2c1 ZINC000580084718 346516713 /nfs/dbraw/zinc/51/67/13/346516713.db2.gz WKHSCQRDRUJUBU-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2[nH+]c(CN3CCC[C@@H](F)C3)cn2c1 ZINC000580084717 346517104 /nfs/dbraw/zinc/51/71/04/346517104.db2.gz WKHSCQRDRUJUBU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CCC[C@@H](F)C3)cn2c1 ZINC000580084717 346517107 /nfs/dbraw/zinc/51/71/07/346517107.db2.gz WKHSCQRDRUJUBU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CCC[C@@H](F)C3)cn2c1 ZINC000580084717 346517109 /nfs/dbraw/zinc/51/71/09/346517109.db2.gz WKHSCQRDRUJUBU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000679224415 488321429 /nfs/dbraw/zinc/32/14/29/488321429.db2.gz SODCQOBWJQQQNR-MIMYLULJSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000679224415 488321430 /nfs/dbraw/zinc/32/14/30/488321430.db2.gz SODCQOBWJQQQNR-MIMYLULJSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1ncc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679226742 488322307 /nfs/dbraw/zinc/32/23/07/488322307.db2.gz VTUHYUMCSKTVKH-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1ncc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)s1 ZINC000679226742 488322310 /nfs/dbraw/zinc/32/23/10/488322310.db2.gz VTUHYUMCSKTVKH-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cccc(Cl)c1OCc1c[nH+]cn1C ZINC000267782810 179109222 /nfs/dbraw/zinc/10/92/22/179109222.db2.gz NXRWWFGOKLSZGQ-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO CC[C@@H]([NH2+]Cc1nccn1C)c1ccccc1F ZINC000163832327 346578930 /nfs/dbraw/zinc/57/89/30/346578930.db2.gz WIEXJZCTFCNOQV-CYBMUJFWSA-N 1 2 247.317 2.800 20 0 BFADLO CCc1cnc(C[NH2+]Cc2occc2C)s1 ZINC000164905495 346632499 /nfs/dbraw/zinc/63/24/99/346632499.db2.gz RWPXYGKHLAPASI-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO CN(C)c1ccc(CCNc2cccc[nH+]2)cc1 ZINC000301137543 187371400 /nfs/dbraw/zinc/37/14/00/187371400.db2.gz CPXLUJSEMWHMKD-UHFFFAOYSA-N 1 2 241.338 2.802 20 0 BFADLO Cc1cccc(NCc2c[nH+]cn2C)c1Cl ZINC000126949384 179151140 /nfs/dbraw/zinc/15/11/40/179151140.db2.gz WEUSYAUOKAYKQU-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000582038474 347103579 /nfs/dbraw/zinc/10/35/79/347103579.db2.gz DNDRGLFWIMXNSO-PJXYFTJBSA-N 1 2 245.326 2.618 20 0 BFADLO Cc1cccc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000359514645 179166768 /nfs/dbraw/zinc/16/67/68/179166768.db2.gz KDYDQORVPKWWOC-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1cccc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000359514645 179166770 /nfs/dbraw/zinc/16/67/70/179166770.db2.gz KDYDQORVPKWWOC-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)no1 ZINC000378675422 346801877 /nfs/dbraw/zinc/80/18/77/346801877.db2.gz OKKNVJAEOVMPGV-HBNTYKKESA-N 1 2 226.295 2.914 20 0 BFADLO Cc1occc1[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000189643584 347147058 /nfs/dbraw/zinc/14/70/58/347147058.db2.gz BBESMNLTYVYOKZ-KRWDZBQOSA-N 1 2 249.335 2.908 20 0 BFADLO CCc1nnc(C[N@H+](C)[C@H](C)c2ccccc2)[nH]1 ZINC000185169657 347192700 /nfs/dbraw/zinc/19/27/00/347192700.db2.gz CCNGKFQXHSVYMK-LLVKDONJSA-N 1 2 244.342 2.560 20 0 BFADLO CCc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)[nH]1 ZINC000185169657 347192701 /nfs/dbraw/zinc/19/27/01/347192701.db2.gz CCNGKFQXHSVYMK-LLVKDONJSA-N 1 2 244.342 2.560 20 0 BFADLO Cc1cccc([C@H](C)[N@H+](C)Cc2nccn2C)c1 ZINC000270524417 179192519 /nfs/dbraw/zinc/19/25/19/179192519.db2.gz BEEXNGLGDGVHKR-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2nccn2C)c1 ZINC000270524417 179192522 /nfs/dbraw/zinc/19/25/22/179192522.db2.gz BEEXNGLGDGVHKR-ZDUSSCGKSA-N 1 2 243.354 2.922 20 0 BFADLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccccc1C)C(=O)OC ZINC000035044617 358452952 /nfs/dbraw/zinc/45/29/52/358452952.db2.gz ODZNFPUFCDFUKE-BXUZGUMPSA-N 1 2 249.354 2.672 20 0 BFADLO CCCCCC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590728842 347497421 /nfs/dbraw/zinc/49/74/21/347497421.db2.gz HTOYMVZKSZQIMP-CYBMUJFWSA-N 1 2 249.358 2.627 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616929322 347497434 /nfs/dbraw/zinc/49/74/34/347497434.db2.gz YFKRGLPZTZHDDW-YPMHNXCESA-N 1 2 249.358 2.585 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616929322 347497436 /nfs/dbraw/zinc/49/74/36/347497436.db2.gz YFKRGLPZTZHDDW-YPMHNXCESA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)C1CCCC1 ZINC000616926547 347458471 /nfs/dbraw/zinc/45/84/71/347458471.db2.gz HFQMNYFQTCEPDO-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)C1CCCC1 ZINC000616926547 347458476 /nfs/dbraw/zinc/45/84/76/347458476.db2.gz HFQMNYFQTCEPDO-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccon1)c1ccoc1 ZINC000380110410 365887076 /nfs/dbraw/zinc/88/70/76/365887076.db2.gz OBNBWPARLGPKPU-RKDXNWHRSA-N 1 2 206.245 2.679 20 0 BFADLO CCn1c2ccccc2nc1C[NH+]1CC2(CC2)C1 ZINC000577261163 365905768 /nfs/dbraw/zinc/90/57/68/365905768.db2.gz XDFICHMMABAQDM-UHFFFAOYSA-N 1 2 241.338 2.652 20 0 BFADLO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129559233 179269286 /nfs/dbraw/zinc/26/92/86/179269286.db2.gz FYBATQWQJRSRQB-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000129559233 179269287 /nfs/dbraw/zinc/26/92/87/179269287.db2.gz FYBATQWQJRSRQB-CYBMUJFWSA-N 1 2 249.354 2.767 20 0 BFADLO CCN(CCSC)c1[nH]c2ccccc2[nH+]1 ZINC000592000457 347722431 /nfs/dbraw/zinc/72/24/31/347722431.db2.gz MVZXCFZSQVWOGX-UHFFFAOYSA-N 1 2 235.356 2.752 20 0 BFADLO Cc1ccccc1N(C)c1[nH+]cccc1N ZINC000049979708 179295213 /nfs/dbraw/zinc/29/52/13/179295213.db2.gz YJWARLVQUDHDCE-UHFFFAOYSA-N 1 2 213.284 2.740 20 0 BFADLO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC(C)(C)C ZINC000593080254 347850900 /nfs/dbraw/zinc/85/09/00/347850900.db2.gz KQOVQTKWQZZFGV-SNVBAGLBSA-N 1 2 239.359 2.639 20 0 BFADLO COCc1cc[nH+]c(NCC2(SC)CC2)c1 ZINC000593698542 347930554 /nfs/dbraw/zinc/93/05/54/347930554.db2.gz SOIQHUSRWRNXII-UHFFFAOYSA-N 1 2 238.356 2.536 20 0 BFADLO CC(C)(C)/C=C/C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371443687 187385735 /nfs/dbraw/zinc/38/57/35/187385735.db2.gz SIDNRLYDAYWOEQ-MLRMMBSGSA-N 1 2 247.342 2.676 20 0 BFADLO Fc1ccccc1SCCn1cc[nH+]c1 ZINC000122516304 187388220 /nfs/dbraw/zinc/38/82/20/187388220.db2.gz XIRYNGILVKNWBJ-UHFFFAOYSA-N 1 2 222.288 2.815 20 0 BFADLO Cc1ccc[nH+]c1CCCNc1ccc(F)cn1 ZINC000295050414 179368229 /nfs/dbraw/zinc/36/82/29/179368229.db2.gz UMFSGRIPKXMIAI-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1ccc[nH+]c1CCCNc1cccc(F)n1 ZINC000295037396 179368857 /nfs/dbraw/zinc/36/88/57/179368857.db2.gz SMNOUMKGVOSONQ-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO CC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000026440383 187391886 /nfs/dbraw/zinc/39/18/86/187391886.db2.gz IILSAMNHPIGBKZ-UHFFFAOYSA-N 1 2 231.299 2.819 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCOCC1CCC1 ZINC000419295054 192119335 /nfs/dbraw/zinc/11/93/35/192119335.db2.gz PVTFLPLQQZZULZ-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCOCC1CCC1 ZINC000419295054 192119336 /nfs/dbraw/zinc/11/93/36/192119336.db2.gz PVTFLPLQQZZULZ-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccco1 ZINC000035139244 358453892 /nfs/dbraw/zinc/45/38/92/358453892.db2.gz ICSSTXFRQVLVCL-LLVKDONJSA-N 1 2 241.294 2.778 20 0 BFADLO CCCCCN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)C ZINC000493771800 259402361 /nfs/dbraw/zinc/40/23/61/259402361.db2.gz NXEWJUIABKYVRY-FPLPWBNLSA-N 1 2 249.358 2.850 20 0 BFADLO CC1(C)C[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000264681465 187397190 /nfs/dbraw/zinc/39/71/90/187397190.db2.gz KXTUFTJVDGTPFG-VIFPVBQESA-N 1 2 203.289 2.564 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000121918628 179706917 /nfs/dbraw/zinc/70/69/17/179706917.db2.gz OFKNOKXUPJHGQN-CMPLNLGQSA-N 1 2 247.342 2.900 20 0 BFADLO CC1(C)C[N@H+](Cc2cscn2)C(C)(C)CO1 ZINC000605899087 348889452 /nfs/dbraw/zinc/88/94/52/348889452.db2.gz NCWLKZOIYACTLP-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CC1(C)C[N@@H+](Cc2cscn2)C(C)(C)CO1 ZINC000605899087 348889453 /nfs/dbraw/zinc/88/94/53/348889453.db2.gz NCWLKZOIYACTLP-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CCN(Cc1[nH+]ccn1C)c1ccccc1F ZINC000299564944 352540109 /nfs/dbraw/zinc/54/01/09/352540109.db2.gz GFQWMHMGVPVWKH-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cc(C)nc(C)c2)no1 ZINC000421862798 192396564 /nfs/dbraw/zinc/39/65/64/192396564.db2.gz WSBOORAQBFUXKV-GFCCVEGCSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cscc1N[C@@H]1CCn2cc[nH+]c21 ZINC000296906645 179808755 /nfs/dbraw/zinc/80/87/55/179808755.db2.gz PDEAKROBBUPISH-SECBINFHSA-N 1 2 219.313 2.810 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(F)cn1 ZINC000161329447 349423937 /nfs/dbraw/zinc/42/39/37/349423937.db2.gz SQYIXKLCHNTSCT-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCCC23CCC3)[nH+]1 ZINC000336623264 180000438 /nfs/dbraw/zinc/00/04/38/180000438.db2.gz SFEAZQLFEJEFJV-UHFFFAOYSA-N 1 2 242.326 2.789 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC(C)(C)C)[nH+]1 ZINC000027896189 180016404 /nfs/dbraw/zinc/01/64/04/180016404.db2.gz JQIJRIXLIJGNHW-UHFFFAOYSA-N 1 2 218.304 2.724 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H]2F)[nH+]1 ZINC000338842647 180022059 /nfs/dbraw/zinc/02/20/59/180022059.db2.gz KMAYLCDOJPJYNJ-VHSXEESVSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)no1 ZINC000273266387 180036682 /nfs/dbraw/zinc/03/66/82/180036682.db2.gz CZJKFUDOCGRUEK-VHSXEESVSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000359931358 180060501 /nfs/dbraw/zinc/06/05/01/180060501.db2.gz JXRJSGZASZSQMV-GXSJLCMTSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)CC3CC3)ccc2n1C ZINC000336497608 180080848 /nfs/dbraw/zinc/08/08/48/180080848.db2.gz LMXFSWIKPKNMCZ-UHFFFAOYSA-N 1 2 243.310 2.620 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)c3ccoc3)cc2[nH+]1 ZINC000340975990 180095474 /nfs/dbraw/zinc/09/54/74/180095474.db2.gz RCIWJNBEWVAEEH-UHFFFAOYSA-N 1 2 241.250 2.717 20 0 BFADLO Cc1[nH]c2cc(NC(=O)c3ccoc3)ccc2[nH+]1 ZINC000340975990 180095476 /nfs/dbraw/zinc/09/54/76/180095476.db2.gz RCIWJNBEWVAEEH-UHFFFAOYSA-N 1 2 241.250 2.717 20 0 BFADLO Cc1nc(N2CC[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000272714134 180068233 /nfs/dbraw/zinc/06/82/33/180068233.db2.gz AAGOYVCNSXVULX-SNVBAGLBSA-N 1 2 231.343 2.510 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302092170 180069027 /nfs/dbraw/zinc/06/90/27/180069027.db2.gz MOIVIQZCDXHLSJ-GHMZBOCLSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1nc(N[C@H]2CCSC2)c2c([nH+]1)CCCC2 ZINC000272854330 180070202 /nfs/dbraw/zinc/07/02/02/180070202.db2.gz KXXFAKJYKYFTKZ-JTQLQIEISA-N 1 2 249.383 2.581 20 0 BFADLO Cc1nc(N[C@@H]2CCSC2)c2c([nH+]1)CCCC2 ZINC000272854334 180070812 /nfs/dbraw/zinc/07/08/12/180070812.db2.gz KXXFAKJYKYFTKZ-SNVBAGLBSA-N 1 2 249.383 2.581 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000339228101 180130568 /nfs/dbraw/zinc/13/05/68/180130568.db2.gz ONLQFWYCVKERLT-CMPLNLGQSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH]c(C(=O)NCC2(C)CCC(C)CC2)c[nH+]1 ZINC000357361237 180128240 /nfs/dbraw/zinc/12/82/40/180128240.db2.gz IXZNGCJVXDAYRP-UHFFFAOYSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1cc(NC[C@@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000604758573 350183932 /nfs/dbraw/zinc/18/39/32/350183932.db2.gz IGIXJFKUXPRCGB-SECBINFHSA-N 1 2 231.343 2.542 20 0 BFADLO Fc1cc(C[N@@H+]2CCCOCC2)ccc1Cl ZINC000334404170 538069144 /nfs/dbraw/zinc/06/91/44/538069144.db2.gz IQWBHTSBPJNRGS-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1cc(C[N@H+]2CCCOCC2)ccc1Cl ZINC000334404170 538069149 /nfs/dbraw/zinc/06/91/49/538069149.db2.gz IQWBHTSBPJNRGS-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Cc1nc(N2CC[C@@H]2c2ccccc2)cc[nH+]1 ZINC000336450650 180194464 /nfs/dbraw/zinc/19/44/64/180194464.db2.gz AGXABXFJJIDZPL-CYBMUJFWSA-N 1 2 225.295 2.736 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000272917549 180194914 /nfs/dbraw/zinc/19/49/14/180194914.db2.gz PLQHUSCAPXUGSC-DRZSPHRISA-N 1 2 231.343 2.800 20 0 BFADLO Cc1nc(NCC2(C3CC3)CCC2)cc[nH+]1 ZINC000128451871 180197868 /nfs/dbraw/zinc/19/78/68/180197868.db2.gz PVOHYTKYWFJGES-UHFFFAOYSA-N 1 2 217.316 2.777 20 0 BFADLO Cc1nc(NCCSCC(C)C)cc[nH+]1 ZINC000309084679 180198144 /nfs/dbraw/zinc/19/81/44/180198144.db2.gz VTDFBXOLKATQPK-UHFFFAOYSA-N 1 2 225.361 2.586 20 0 BFADLO Cc1nc(NCCCC(F)(F)F)cc[nH+]1 ZINC000097987356 180198835 /nfs/dbraw/zinc/19/88/35/180198835.db2.gz FFDOTHPWPZZHRL-UHFFFAOYSA-N 1 2 219.210 2.539 20 0 BFADLO Cc1nc(NCC2(CCO)CCCCC2)cc[nH+]1 ZINC000175760668 180198848 /nfs/dbraw/zinc/19/88/48/180198848.db2.gz GXZUMMNCVVTJCE-UHFFFAOYSA-N 1 2 249.358 2.530 20 0 BFADLO Cc1nc(NC2CCCCCC2)cc[nH+]1 ZINC000054935780 180199314 /nfs/dbraw/zinc/19/93/14/180199314.db2.gz KMZGMBIIMFAXMV-UHFFFAOYSA-N 1 2 205.305 2.920 20 0 BFADLO Cc1nc(NCCC[C@@H]2CCCCO2)cc[nH+]1 ZINC000186078877 180199491 /nfs/dbraw/zinc/19/94/91/180199491.db2.gz BVVHOUSOASJDQX-LBPRGKRZSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c(C)n2)s1 ZINC000054936444 180200568 /nfs/dbraw/zinc/20/05/68/180200568.db2.gz WZLLMCKZFFIRLZ-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000124681669 191078497 /nfs/dbraw/zinc/07/84/97/191078497.db2.gz JDBDLBPMMXVWMW-UHFFFAOYSA-N 1 2 247.317 2.882 20 0 BFADLO Cc1nc(NCc2cc(F)ccc2F)cc[nH+]1 ZINC000107929350 180200963 /nfs/dbraw/zinc/20/09/63/180200963.db2.gz XXALVUHYVGHVRV-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1nc(N[C@@H]2CC23CCCC3)cc[nH+]1 ZINC000336734945 180202811 /nfs/dbraw/zinc/20/28/11/180202811.db2.gz NUNPLZLUNRQGDN-SNVBAGLBSA-N 1 2 203.289 2.530 20 0 BFADLO Cc1nc(N[C@@H](C)C2CCCC2)cc[nH+]1 ZINC000069805333 180203281 /nfs/dbraw/zinc/20/32/81/180203281.db2.gz YEOBTQBAUZABMS-VIFPVBQESA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000122372318 180203808 /nfs/dbraw/zinc/20/38/08/180203808.db2.gz LMEUFSLOMUTKGI-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2CCc3c2cccc3O)cc[nH+]1 ZINC000267051743 180205361 /nfs/dbraw/zinc/20/53/61/180205361.db2.gz FLCRAWAUPSNWIT-GFCCVEGCSA-N 1 2 241.294 2.590 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@H]2CC2(C)C)no1 ZINC000290065046 180223261 /nfs/dbraw/zinc/22/32/61/180223261.db2.gz JTMULULRNMBDDS-LLVKDONJSA-N 1 2 243.310 2.877 20 0 BFADLO Cc1[nH+]cccc1NC1CC(OC(C)C)C1 ZINC000275135262 180225957 /nfs/dbraw/zinc/22/59/57/180225957.db2.gz MZCAKODJQLPCQB-UHFFFAOYSA-N 1 2 220.316 2.758 20 0 BFADLO c1ccc(C[NH2+]Cc2nc3ccccc3o2)nc1 ZINC000606141915 350278864 /nfs/dbraw/zinc/27/88/64/350278864.db2.gz NIYYVLRXQRBZEC-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1nnsc1Cl ZINC000037913725 350290913 /nfs/dbraw/zinc/29/09/13/350290913.db2.gz FVQXQELXRBWADT-ZETCQYMHSA-N 1 2 231.752 2.566 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1nnsc1Cl ZINC000037913725 350290916 /nfs/dbraw/zinc/29/09/16/350290916.db2.gz FVQXQELXRBWADT-ZETCQYMHSA-N 1 2 231.752 2.566 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccno1 ZINC000606449579 350339574 /nfs/dbraw/zinc/33/95/74/350339574.db2.gz ZDLAPDQQDUINPB-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccno1 ZINC000606449579 350339576 /nfs/dbraw/zinc/33/95/76/350339576.db2.gz ZDLAPDQQDUINPB-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO Clc1ccc(C[NH2+]Cc2nccs2)o1 ZINC000040444018 350363068 /nfs/dbraw/zinc/36/30/68/350363068.db2.gz PPURYWVUJMOWOB-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO CC(C)CCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563966724 323335593 /nfs/dbraw/zinc/33/55/93/323335593.db2.gz QRGHBFPOXLNFIN-UHFFFAOYSA-N 1 2 237.347 2.587 20 0 BFADLO CCc1nc(C[NH2+]Cc2cnccc2C)cs1 ZINC000162768046 350429038 /nfs/dbraw/zinc/42/90/38/350429038.db2.gz BTXOLBILRYEFGU-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO CC[N@H+](Cc1nc(C)cs1)Cc1ccncc1 ZINC000336707869 350460604 /nfs/dbraw/zinc/46/06/04/350460604.db2.gz OTARSNVUZHJPEL-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1nc(C)cs1)Cc1ccncc1 ZINC000336707869 350460605 /nfs/dbraw/zinc/46/06/05/350460605.db2.gz OTARSNVUZHJPEL-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(F)(F)F ZINC000336772848 350508033 /nfs/dbraw/zinc/50/80/33/350508033.db2.gz VXHKVJZMMJVUHU-WCBMZHEXSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)CCCOC)C(F)(F)F ZINC000336748115 350497328 /nfs/dbraw/zinc/49/73/28/350497328.db2.gz CJLCNVAGEGOJMM-DTWKUNHWSA-N 1 2 227.270 2.732 20 0 BFADLO Cc1c[nH+]cc(NCc2cnn(C(C)C)c2)c1 ZINC000227603472 350502363 /nfs/dbraw/zinc/50/23/63/350502363.db2.gz OZKPZJJIRKQGSC-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CSc1ccc(N[C@@H](C)[C@@H]2CCOC2)[nH+]c1 ZINC000134310194 191108633 /nfs/dbraw/zinc/10/86/33/191108633.db2.gz NSYGIOSQNDZIDP-VHSXEESVSA-N 1 2 238.356 2.640 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccoc2)cs1 ZINC000067220135 350581199 /nfs/dbraw/zinc/58/11/99/350581199.db2.gz IXMWDOOGLSTERH-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355825705 350606157 /nfs/dbraw/zinc/60/61/57/350606157.db2.gz IXDRJECZHZQOHM-VXGBXAGGSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccco2)s1 ZINC000135009093 180445920 /nfs/dbraw/zinc/44/59/20/180445920.db2.gz BZSGTCAQXPZTDK-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO CCCC[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051179901 350613557 /nfs/dbraw/zinc/61/35/57/350613557.db2.gz YQPBNGBOXQXNTI-UHFFFAOYSA-N 1 2 225.336 2.599 20 0 BFADLO CCCC[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000051179901 350613561 /nfs/dbraw/zinc/61/35/61/350613561.db2.gz YQPBNGBOXQXNTI-UHFFFAOYSA-N 1 2 225.336 2.599 20 0 BFADLO CCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266181774 168642547 /nfs/dbraw/zinc/64/25/47/168642547.db2.gz YCFBZMZNWGCUKW-UHFFFAOYSA-N 1 2 231.299 2.853 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCCCCCO ZINC000232436230 350659655 /nfs/dbraw/zinc/65/96/55/350659655.db2.gz RWHSPYLWYSERHZ-UHFFFAOYSA-N 1 2 237.343 2.884 20 0 BFADLO CCc1nc(C[NH+]2CCC(C)(CC)CC2)no1 ZINC000338257094 350674894 /nfs/dbraw/zinc/67/48/94/350674894.db2.gz DYEXHHJRRSJWIN-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Fc1ccc(Cl)c(C[N@@H+]2CCCOCC2)c1 ZINC000335685687 538098600 /nfs/dbraw/zinc/09/86/00/538098600.db2.gz NMHCWDLMKZKEFI-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1ccc(Cl)c(C[N@H+]2CCCOCC2)c1 ZINC000335685687 538098602 /nfs/dbraw/zinc/09/86/02/538098602.db2.gz NMHCWDLMKZKEFI-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Clc1sccc1C[N@@H+]1CCCOCC1 ZINC000335717553 538099169 /nfs/dbraw/zinc/09/91/69/538099169.db2.gz IBLPERFJNKIOQG-UHFFFAOYSA-N 1 2 231.748 2.624 20 0 BFADLO Clc1sccc1C[N@H+]1CCCOCC1 ZINC000335717553 538099172 /nfs/dbraw/zinc/09/91/72/538099172.db2.gz IBLPERFJNKIOQG-UHFFFAOYSA-N 1 2 231.748 2.624 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2sccc2C)n1 ZINC000309742727 180499919 /nfs/dbraw/zinc/49/99/19/180499919.db2.gz DRLZQNPASFHPHI-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1occc1C ZINC000628311920 350812862 /nfs/dbraw/zinc/81/28/62/350812862.db2.gz GOFLSLKHOTULTD-UHFFFAOYSA-N 1 2 247.342 2.950 20 0 BFADLO FC1(F)CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000306690524 350843360 /nfs/dbraw/zinc/84/33/60/350843360.db2.gz MOOACXFNRYSURP-NSHDSACASA-N 1 2 211.255 2.964 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cnc(Cl)s1 ZINC000306745583 350933912 /nfs/dbraw/zinc/93/39/12/350933912.db2.gz BIJDTHCRKKNTTK-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000306745583 350933916 /nfs/dbraw/zinc/93/39/16/350933916.db2.gz BIJDTHCRKKNTTK-KNVOCYPGSA-N 1 2 216.737 2.779 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC=CCC1 ZINC000265022558 351261023 /nfs/dbraw/zinc/26/10/23/351261023.db2.gz RDVRHCZRKOVWLN-LBPRGKRZSA-N 1 2 230.311 2.939 20 0 BFADLO CCc1cnc(CN(C)c2cccc[nH+]2)s1 ZINC000267095125 351299547 /nfs/dbraw/zinc/29/95/47/351299547.db2.gz VLLUXOYZLXOLJN-UHFFFAOYSA-N 1 2 233.340 2.737 20 0 BFADLO C[C@@H](CO)[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631125668 351326561 /nfs/dbraw/zinc/32/65/61/351326561.db2.gz HUQXPKZCFAJSKC-QWRGUYRKSA-N 1 2 230.311 2.664 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC[C@@H](CC)O1 ZINC000268130084 351328804 /nfs/dbraw/zinc/32/88/04/351328804.db2.gz MCYSGNZGCVXGEA-DGCLKSJQSA-N 1 2 248.326 2.540 20 0 BFADLO O=C(C[NH+]1CCCCCC1)c1ccccc1F ZINC000034981362 351373206 /nfs/dbraw/zinc/37/32/06/351373206.db2.gz GUHDRWUJFZUFMS-UHFFFAOYSA-N 1 2 235.302 2.884 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2ccns2)n1 ZINC000404476677 351473322 /nfs/dbraw/zinc/47/33/22/351473322.db2.gz RUXMGWSYJFCTBA-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO CC(C)C[C@@H](C)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000300913638 187485928 /nfs/dbraw/zinc/48/59/28/187485928.db2.gz MCUFODIVKRIFSN-CHWSQXEVSA-N 1 2 227.392 2.761 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cccc(O)c2)sn1 ZINC000637813013 351649709 /nfs/dbraw/zinc/64/97/09/351649709.db2.gz HRDVWKJNPDRHJC-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cccc(O)c2)sn1 ZINC000637813013 351649712 /nfs/dbraw/zinc/64/97/12/351649712.db2.gz HRDVWKJNPDRHJC-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO CN(C)c1ccc(NCc2ccc(F)cc2)c[nH+]1 ZINC000036988801 358465915 /nfs/dbraw/zinc/46/59/15/358465915.db2.gz YZOAZVLRUYBNKZ-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO C[C@@H](C[NH+]1CC(C(F)(F)F)C1)C(F)(F)F ZINC000577816764 366068828 /nfs/dbraw/zinc/06/88/28/366068828.db2.gz VHIHSYJEKTUPTH-YFKPBYRVSA-N 1 2 235.171 2.679 20 0 BFADLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1ccoc1 ZINC000637964589 351838940 /nfs/dbraw/zinc/83/89/40/351838940.db2.gz AZQWNDJTCLXERP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1ccoc1 ZINC000637964589 351838942 /nfs/dbraw/zinc/83/89/42/351838942.db2.gz AZQWNDJTCLXERP-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO COc1cccc(C)c1C[N@H+](C)Cc1ccon1 ZINC000638100246 351980638 /nfs/dbraw/zinc/98/06/38/351980638.db2.gz LNNMQGUFENUBLK-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C)c1C[N@@H+](C)Cc1ccon1 ZINC000638100246 351980642 /nfs/dbraw/zinc/98/06/42/351980642.db2.gz LNNMQGUFENUBLK-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC[C@@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284145549 351993174 /nfs/dbraw/zinc/99/31/74/351993174.db2.gz WHJYYOKCSSSJOM-JIVBQCDMSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1occc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000638407513 352213320 /nfs/dbraw/zinc/21/33/20/352213320.db2.gz QOZAMCHNCASQNF-UHFFFAOYSA-N 1 2 232.283 2.743 20 0 BFADLO COc1cccc(C)c1C[NH2+]Cc1cc(C)on1 ZINC000638418607 352228422 /nfs/dbraw/zinc/22/84/22/352228422.db2.gz CLYFTJUMOLMZKU-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1cc(C)c(NC(=O)Cc2ccco2)c(C)[nH+]1 ZINC000336109748 538102955 /nfs/dbraw/zinc/10/29/55/538102955.db2.gz DVNACWPNIATWPR-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO Cc1ccc(F)c(CNc2ccc(CO)c[nH+]2)c1 ZINC000356291656 187725057 /nfs/dbraw/zinc/72/50/57/187725057.db2.gz CDKBXEWDVRZOJJ-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)n1 ZINC000073637189 352552588 /nfs/dbraw/zinc/55/25/88/352552588.db2.gz SHCFWODCSDKKPY-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO c1ccc(N2CC[C@@H](CC3CC3)C2)[nH+]c1 ZINC000334177597 352763498 /nfs/dbraw/zinc/76/34/98/352763498.db2.gz BYNLMSWCGVWQEH-LBPRGKRZSA-N 1 2 202.301 2.708 20 0 BFADLO C[N@H+](CCC1CCCC1)Cc1noc(C2CC2)n1 ZINC000412081177 191253760 /nfs/dbraw/zinc/25/37/60/191253760.db2.gz WVHCRXXMMRXFFW-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@@H+](CCC1CCCC1)Cc1noc(C2CC2)n1 ZINC000412081177 191253763 /nfs/dbraw/zinc/25/37/63/191253763.db2.gz WVHCRXXMMRXFFW-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@H+](CCC(C)(C)C)Cc1noc(C2CC2)n1 ZINC000412080289 191252759 /nfs/dbraw/zinc/25/27/59/191252759.db2.gz VQJRBLGDPGDNIF-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO C[N@@H+](CCC(C)(C)C)Cc1noc(C2CC2)n1 ZINC000412080289 191252762 /nfs/dbraw/zinc/25/27/62/191252762.db2.gz VQJRBLGDPGDNIF-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO C/C=C/C[C@@H]([NH2+]C1CC(CC)C1)C(=O)OCC ZINC000342854352 352876112 /nfs/dbraw/zinc/87/61/12/352876112.db2.gz QGSSRJUDCLLGGM-LUJXPYTHSA-N 1 2 239.359 2.663 20 0 BFADLO C[C@H]1CC[N@H+](Cc2csnn2)CC12CCC2 ZINC000334249152 352841574 /nfs/dbraw/zinc/84/15/74/352841574.db2.gz YPFLDFZWGRLQFQ-JTQLQIEISA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2csnn2)CC12CCC2 ZINC000334249152 352841575 /nfs/dbraw/zinc/84/15/75/352841575.db2.gz YPFLDFZWGRLQFQ-JTQLQIEISA-N 1 2 237.372 2.550 20 0 BFADLO FC(F)C1CC[NH+](Cc2cscn2)CC1 ZINC000334272175 352909170 /nfs/dbraw/zinc/90/91/70/352909170.db2.gz WUESYAADWGRWJM-UHFFFAOYSA-N 1 2 232.299 2.620 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H](C)C1CC1 ZINC000334282479 352923520 /nfs/dbraw/zinc/92/35/20/352923520.db2.gz ICUFEDQHUKPFPO-LLVKDONJSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1nc(N2CCCc3sccc3C2)cc[nH+]1 ZINC000608085349 352878812 /nfs/dbraw/zinc/87/88/12/352878812.db2.gz LNGWWPSCNMENLJ-UHFFFAOYSA-N 1 2 245.351 2.799 20 0 BFADLO Cc1cccc(CN2CCn3cc[nH+]c3C2)c1C ZINC000334268473 352904780 /nfs/dbraw/zinc/90/47/80/352904780.db2.gz OPZLSQHALDKBFR-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C[N@@H+]2CCn3ccnc3C2)c1C ZINC000334268473 352904781 /nfs/dbraw/zinc/90/47/81/352904781.db2.gz OPZLSQHALDKBFR-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C[N@H+]2CCn3ccnc3C2)c1C ZINC000334268473 352904786 /nfs/dbraw/zinc/90/47/86/352904786.db2.gz OPZLSQHALDKBFR-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(N2CC3(C2)CCCCC3)nc[nH+]1 ZINC000334392007 353064356 /nfs/dbraw/zinc/06/43/56/353064356.db2.gz WSILIGNRWAROLW-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CC1([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CCC1 ZINC000638889530 353057814 /nfs/dbraw/zinc/05/78/14/353057814.db2.gz BPZYNXSEZFSEBU-LBPRGKRZSA-N 1 2 248.374 2.958 20 0 BFADLO Cc1nc(N[C@H]2C[C@@]2(C)c2ccccc2)cc[nH+]1 ZINC000608089021 353109247 /nfs/dbraw/zinc/10/92/47/353109247.db2.gz AJASJDBOEWQPRR-ZFWWWQNUSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(N2CC[C@H]2c2cccc(F)c2)nc[nH+]1 ZINC000608093906 353123534 /nfs/dbraw/zinc/12/35/34/353123534.db2.gz GNIURFDQVGVJSL-ZDUSSCGKSA-N 1 2 243.285 2.876 20 0 BFADLO Cc1cc(N2CC[C@@H]2c2cccc(F)c2)nc[nH+]1 ZINC000608093905 353123766 /nfs/dbraw/zinc/12/37/66/353123766.db2.gz GNIURFDQVGVJSL-CYBMUJFWSA-N 1 2 243.285 2.876 20 0 BFADLO CC(C)[C@@H](C)Sc1cc(-n2cc[nH+]c2)ncn1 ZINC000608095341 353125500 /nfs/dbraw/zinc/12/55/00/353125500.db2.gz YYCRCOIEOLHPSE-SNVBAGLBSA-N 1 2 248.355 2.799 20 0 BFADLO CC(C)[C@H](NC(=O)C1CC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000356998052 188065633 /nfs/dbraw/zinc/06/56/33/188065633.db2.gz MXRDLAOQVMJVPM-NSHDSACASA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@H](CC1CCCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000359142772 188068325 /nfs/dbraw/zinc/06/83/25/188068325.db2.gz ZZUBCDKTXQESDE-GFCCVEGCSA-N 1 2 249.358 2.632 20 0 BFADLO CC[C@H](CC1CCCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000359142772 188068326 /nfs/dbraw/zinc/06/83/26/188068326.db2.gz ZZUBCDKTXQESDE-GFCCVEGCSA-N 1 2 249.358 2.632 20 0 BFADLO CC(C)C[C@@H](CCO)CNc1cccc[nH+]1 ZINC000266744494 188088361 /nfs/dbraw/zinc/08/83/61/188088361.db2.gz RBYYRTKABCILBY-GFCCVEGCSA-N 1 2 222.332 2.538 20 0 BFADLO c1[nH+]c2c(cc1NCCC[C@@H]1CCO1)CCCC2 ZINC000638975165 353180130 /nfs/dbraw/zinc/18/01/30/353180130.db2.gz XMWQPGMCNGOTPL-CQSZACIVSA-N 1 2 246.354 2.941 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000049371546 188124926 /nfs/dbraw/zinc/12/49/26/188124926.db2.gz LJRWQFGBBJFETQ-CYBMUJFWSA-N 1 2 249.354 2.653 20 0 BFADLO CC(C)=CC[N@@H+](C)Cc1nccn1C(F)F ZINC000076647999 188135624 /nfs/dbraw/zinc/13/56/24/188135624.db2.gz GDTKEJNQAFGBRF-UHFFFAOYSA-N 1 2 229.274 2.676 20 0 BFADLO CC(C)=CC[N@H+](C)Cc1nccn1C(F)F ZINC000076647999 188135625 /nfs/dbraw/zinc/13/56/25/188135625.db2.gz GDTKEJNQAFGBRF-UHFFFAOYSA-N 1 2 229.274 2.676 20 0 BFADLO FC(F)C(F)(F)C[NH2+]Cc1ccccc1 ZINC000020518430 180899576 /nfs/dbraw/zinc/89/95/76/180899576.db2.gz VJWICKBVYGWMSR-UHFFFAOYSA-N 1 2 221.197 2.677 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000134969567 188156374 /nfs/dbraw/zinc/15/63/74/188156374.db2.gz MGYGPNGXYNACPS-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000134969567 188156375 /nfs/dbraw/zinc/15/63/75/188156375.db2.gz MGYGPNGXYNACPS-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO Cc1ccnc(C[N@@H+](C)[C@H](C)c2ccccc2)n1 ZINC000336692430 188182933 /nfs/dbraw/zinc/18/29/33/188182933.db2.gz CRZUVXQNGLBEDH-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccnc(C[N@H+](C)[C@H](C)c2ccccc2)n1 ZINC000336692430 188182935 /nfs/dbraw/zinc/18/29/35/188182935.db2.gz CRZUVXQNGLBEDH-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO COc1ccc(N[C@H](C)CC(C)C)[nH+]c1 ZINC000225835707 538114153 /nfs/dbraw/zinc/11/41/53/538114153.db2.gz PQABTLFKUMTLMT-SNVBAGLBSA-N 1 2 208.305 2.937 20 0 BFADLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccns1 ZINC000639040309 353316283 /nfs/dbraw/zinc/31/62/83/353316283.db2.gz HMMFBDLDMUFJOM-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccns1 ZINC000639040309 353316288 /nfs/dbraw/zinc/31/62/88/353316288.db2.gz HMMFBDLDMUFJOM-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000639061075 353368133 /nfs/dbraw/zinc/36/81/33/353368133.db2.gz MDMDWSJOJBEPDX-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)c(F)c1 ZINC000639061075 353368136 /nfs/dbraw/zinc/36/81/36/353368136.db2.gz MDMDWSJOJBEPDX-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO CC1(C)C[NH+](Cc2ccns2)CC(C)(C)O1 ZINC000639089208 353447578 /nfs/dbraw/zinc/44/75/78/353447578.db2.gz DGJIHLHPFZPYQW-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)c1nc(N(C)[C@@H]2CC2(C)C)cc[nH+]1 ZINC000302845805 188415022 /nfs/dbraw/zinc/41/50/22/188415022.db2.gz GIRKUQRMLPTMBV-SNVBAGLBSA-N 1 2 219.332 2.835 20 0 BFADLO CO[C@@H]1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000231682678 353644179 /nfs/dbraw/zinc/64/41/79/353644179.db2.gz XDDXGMACDDCPDI-NWDGAFQWSA-N 1 2 249.358 2.888 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H](O)C1CCCCC1 ZINC000190734431 353688435 /nfs/dbraw/zinc/68/84/35/353688435.db2.gz AHOSCINAVFAAAN-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)C1CCCCC1 ZINC000190734431 353688438 /nfs/dbraw/zinc/68/84/38/353688438.db2.gz AHOSCINAVFAAAN-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000179578600 181011793 /nfs/dbraw/zinc/01/17/93/181011793.db2.gz YDTCZBNMMXBDTJ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1ccccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000179578600 181011794 /nfs/dbraw/zinc/01/17/94/181011794.db2.gz YDTCZBNMMXBDTJ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Cc1ncc([C@H](C)[NH2+]C(C)(C)C(F)F)c(C)n1 ZINC000639118936 353753426 /nfs/dbraw/zinc/75/34/26/353753426.db2.gz GWCRTZPVGJGFJG-QMMMGPOBSA-N 1 2 243.301 2.788 20 0 BFADLO CC(C)C1(CNc2nc[nH+]c(N)c2Cl)CC1 ZINC000232762693 353769208 /nfs/dbraw/zinc/76/92/08/353769208.db2.gz HWDJEOIJGDKZLA-UHFFFAOYSA-N 1 2 240.738 2.560 20 0 BFADLO CC(C)C1(CNc2[nH+]cnc(N)c2Cl)CC1 ZINC000232762693 353769211 /nfs/dbraw/zinc/76/92/11/353769211.db2.gz HWDJEOIJGDKZLA-UHFFFAOYSA-N 1 2 240.738 2.560 20 0 BFADLO Cc1nc(N(C)C[C@H]2CC=CCC2)cc[nH+]1 ZINC000343451970 353893673 /nfs/dbraw/zinc/89/36/73/353893673.db2.gz GOHNPQOGVASEQQ-LBPRGKRZSA-N 1 2 217.316 2.578 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCO1 ZINC000639137671 353854818 /nfs/dbraw/zinc/85/48/18/353854818.db2.gz FVWYNTGHHSXSFM-GHMZBOCLSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCC[C@@H]1CCO1 ZINC000639137671 353854820 /nfs/dbraw/zinc/85/48/20/353854820.db2.gz FVWYNTGHHSXSFM-GHMZBOCLSA-N 1 2 233.302 2.675 20 0 BFADLO CO[C@@H](C[NH2+]C1(C(F)F)CC1)C1CCCC1 ZINC000639139089 353855425 /nfs/dbraw/zinc/85/54/25/353855425.db2.gz FJXNXLWXQVICEJ-JTQLQIEISA-N 1 2 233.302 2.579 20 0 BFADLO CO[C@@H](C[NH2+]C1(C(F)F)CC1)C1CCCCC1 ZINC000639139557 353856251 /nfs/dbraw/zinc/85/62/51/353856251.db2.gz LWYSAXLYBHTMHB-NSHDSACASA-N 1 2 247.329 2.969 20 0 BFADLO Cc1cc(N[C@@]2(C)CCO[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000343497398 353913126 /nfs/dbraw/zinc/91/31/26/353913126.db2.gz DMWAZEFBRPGVOX-YGRLFVJLSA-N 1 2 247.342 2.642 20 0 BFADLO Oc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2F)c1F ZINC000334537584 353925285 /nfs/dbraw/zinc/92/52/85/353925285.db2.gz QRAPJLNQSGTMLG-VHSXEESVSA-N 1 2 245.244 2.651 20 0 BFADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000343741502 353970054 /nfs/dbraw/zinc/97/00/54/353970054.db2.gz KKWUWUIVJFHCJH-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO COC1(C(=O)Nc2ccc(C)[nH+]c2C)CCCC1 ZINC000334553028 353995370 /nfs/dbraw/zinc/99/53/70/353995370.db2.gz KMOGMBWUVLJNNW-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC(F)F ZINC000639162406 353954347 /nfs/dbraw/zinc/95/43/47/353954347.db2.gz OKINSSLCNOQWPT-BXKDBHETSA-N 1 2 229.270 2.617 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000334550507 354018498 /nfs/dbraw/zinc/01/84/98/354018498.db2.gz MFXLRKHPHJUTPI-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000334550507 354018500 /nfs/dbraw/zinc/01/85/00/354018500.db2.gz MFXLRKHPHJUTPI-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO CCOCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000343927480 354045180 /nfs/dbraw/zinc/04/51/80/354045180.db2.gz STUUMIXXWFMKRZ-UHFFFAOYSA-N 1 2 246.310 2.678 20 0 BFADLO Cc1cc(NC[C@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000230433831 363311256 /nfs/dbraw/zinc/31/12/56/363311256.db2.gz AHIHETHHJWBJOR-KOLCDFICSA-N 1 2 205.305 2.633 20 0 BFADLO CCC(C)(C)CC[N@@H+]1CCOCC(F)(F)C1 ZINC000344101135 354159099 /nfs/dbraw/zinc/15/90/99/354159099.db2.gz CKAWFLZMMVYSOX-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CCC(C)(C)CC[N@H+]1CCOCC(F)(F)C1 ZINC000344101135 354159104 /nfs/dbraw/zinc/15/91/04/354159104.db2.gz CKAWFLZMMVYSOX-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C(F)(F)F ZINC000309987351 491059700 /nfs/dbraw/zinc/05/97/00/491059700.db2.gz YXHRKMUXUNJOOI-UTLUCORTSA-N 1 2 239.281 2.875 20 0 BFADLO CC(C)c1nc(N2CC(C(F)(F)F)C2)cc[nH+]1 ZINC000334588380 354215462 /nfs/dbraw/zinc/21/54/62/354215462.db2.gz ZDOCNQMNQPGXRF-UHFFFAOYSA-N 1 2 245.248 2.599 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccc(C)o2)C1 ZINC000529641608 324369848 /nfs/dbraw/zinc/36/98/48/324369848.db2.gz OAGJABZTWUGSMB-UHFFFAOYSA-N 1 2 237.343 2.977 20 0 BFADLO Cc1cc2nc(N3CCCC[NH2+]3)oc2c(C)c1 ZINC000334606812 354313662 /nfs/dbraw/zinc/31/36/62/354313662.db2.gz WDWJZERVMZXUBS-UHFFFAOYSA-N 1 2 231.299 2.549 20 0 BFADLO c1coc([C@H]2[N@H+](Cc3ccno3)CC23CCC3)c1 ZINC000334626247 354367026 /nfs/dbraw/zinc/36/70/26/354367026.db2.gz GVLYMUQQGUOFCU-CYBMUJFWSA-N 1 2 244.294 2.995 20 0 BFADLO c1coc([C@H]2[N@@H+](Cc3ccno3)CC23CCC3)c1 ZINC000334626247 354367028 /nfs/dbraw/zinc/36/70/28/354367028.db2.gz GVLYMUQQGUOFCU-CYBMUJFWSA-N 1 2 244.294 2.995 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]1C(C)C ZINC000334688359 354434079 /nfs/dbraw/zinc/43/40/79/354434079.db2.gz FNXDFVJRJXJRHE-GFCCVEGCSA-N 1 2 247.342 2.961 20 0 BFADLO FC[C@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000334642182 354398483 /nfs/dbraw/zinc/39/84/83/354398483.db2.gz CLXSLWDEZRRLKO-NSHDSACASA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000334642182 354398488 /nfs/dbraw/zinc/39/84/88/354398488.db2.gz CLXSLWDEZRRLKO-NSHDSACASA-N 1 2 243.709 2.510 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000334667060 354406014 /nfs/dbraw/zinc/40/60/14/354406014.db2.gz VHUFGUAHTPAWMM-MNOVXSKESA-N 1 2 247.342 2.594 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ncccn1 ZINC000334662798 354462248 /nfs/dbraw/zinc/46/22/48/354462248.db2.gz RLHGDLLFWBPNGQ-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ncccn1 ZINC000334662798 354462252 /nfs/dbraw/zinc/46/22/52/354462252.db2.gz RLHGDLLFWBPNGQ-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](Cc1ccsc1)Nc1ccc(CO)c[nH+]1 ZINC000578056879 366205076 /nfs/dbraw/zinc/20/50/76/366205076.db2.gz AMRBKFACGFRTSA-SNVBAGLBSA-N 1 2 248.351 2.679 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)c1cccs1 ZINC000334695508 354487068 /nfs/dbraw/zinc/48/70/68/354487068.db2.gz JKPSSNACQADIHN-UHFFFAOYSA-N 1 2 247.323 2.533 20 0 BFADLO CC[C@@H]1C[C@H]1NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334706638 354500104 /nfs/dbraw/zinc/50/01/04/354500104.db2.gz SMJIBYPWECIFST-VXGBXAGGSA-N 1 2 247.342 2.927 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@H]2C)[nH+]1 ZINC000334710781 354507433 /nfs/dbraw/zinc/50/74/33/354507433.db2.gz PRSWOTXGQYGMRR-DTWKUNHWSA-N 1 2 230.315 2.501 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)C2=CCCCC2)c2[nH+]ccn21 ZINC000334715176 354513500 /nfs/dbraw/zinc/51/35/00/354513500.db2.gz RCDURCUXOFNQLM-ZYHUDNBSSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000334724359 354524554 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/nfs/dbraw/zinc/89/52/07/354895207.db2.gz DGJNDIBZCCPTHW-JTQLQIEISA-N 1 2 225.282 2.801 20 0 BFADLO Cc1cc(C)c(C[NH+]2CC(F)C2)c(C)c1 ZINC000346316772 354895244 /nfs/dbraw/zinc/89/52/44/354895244.db2.gz BLCWYBUEVSBOBV-UHFFFAOYSA-N 1 2 207.292 2.766 20 0 BFADLO CCOC[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346422171 354923714 /nfs/dbraw/zinc/92/37/14/354923714.db2.gz WZLAYYURRITCQZ-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CC1 ZINC000346414859 354950352 /nfs/dbraw/zinc/95/03/52/354950352.db2.gz WNQJUQPJVJKMNC-NSHDSACASA-N 1 2 231.343 2.892 20 0 BFADLO Cc1ccc([C@H]2COCC[N@H+]2CC[C@H](C)F)o1 ZINC000352001921 134025321 /nfs/dbraw/zinc/02/53/21/134025321.db2.gz DJSVGKAAUSBVLS-CMPLNLGQSA-N 1 2 241.306 2.709 20 0 BFADLO Cc1ccc([C@H]2COCC[N@@H+]2CC[C@H](C)F)o1 ZINC000352001921 134025322 /nfs/dbraw/zinc/02/53/22/134025322.db2.gz DJSVGKAAUSBVLS-CMPLNLGQSA-N 1 2 241.306 2.709 20 0 BFADLO CC(C)c1nc(N2CCC23CCC3)cc[nH+]1 ZINC000335199393 355032593 /nfs/dbraw/zinc/03/25/93/355032593.db2.gz LWSHRHJXVBVRSM-UHFFFAOYSA-N 1 2 217.316 2.733 20 0 BFADLO CC1(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000335228065 355069935 /nfs/dbraw/zinc/06/99/35/355069935.db2.gz JBWHKHFUXSOFEI-LLVKDONJSA-N 1 2 247.342 2.654 20 0 BFADLO CCCC[C@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346945526 355160762 /nfs/dbraw/zinc/16/07/62/355160762.db2.gz SDDJJYKEZUKJSO-JTQLQIEISA-N 1 2 248.330 2.688 20 0 BFADLO COc1ccncc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000346828221 355127510 /nfs/dbraw/zinc/12/75/10/355127510.db2.gz GIQSGRLRQZPJBK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccncc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000346828221 355127513 /nfs/dbraw/zinc/12/75/13/355127513.db2.gz GIQSGRLRQZPJBK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO Cc1cccc2[nH+]cc(/C=C\c3ccncn3)n21 ZINC000346874613 355142074 /nfs/dbraw/zinc/14/20/74/355142074.db2.gz AKGNRIXXJCEGFH-WAYWQWQTSA-N 1 2 236.278 2.603 20 0 BFADLO CC[C@H](NC(=O)CC1CC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000346895150 355147619 /nfs/dbraw/zinc/14/76/19/355147619.db2.gz BYNMKAKPKFJKQD-NSHDSACASA-N 1 2 249.358 2.803 20 0 BFADLO Cc1ccc2[nH+]cc(/C=C/c3ccncn3)n2c1 ZINC000346933604 355182099 /nfs/dbraw/zinc/18/20/99/355182099.db2.gz UTKXVDWZCCAGCL-ONEGZZNKSA-N 1 2 236.278 2.603 20 0 BFADLO CC(C)=Cc1nc(Cc2ccc[nH+]c2C)no1 ZINC000335254915 355184403 /nfs/dbraw/zinc/18/44/03/355184403.db2.gz APRSGBHVWOCLNQ-UHFFFAOYSA-N 1 2 229.283 2.787 20 0 BFADLO Cc1ccc(COCc2[nH]cc[nH+]2)c(C)c1 ZINC000412998087 191333982 /nfs/dbraw/zinc/33/39/82/191333982.db2.gz IOYFFPPKTXCYON-UHFFFAOYSA-N 1 2 216.284 2.743 20 0 BFADLO CCC1(C)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000347016351 355206088 /nfs/dbraw/zinc/20/60/88/355206088.db2.gz ODRFKLICOZBWNY-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(NC2CC2)[nH+]cn1 ZINC000413085484 191356106 /nfs/dbraw/zinc/35/61/06/191356106.db2.gz PQMJRJZGEPTWKA-JTQLQIEISA-N 1 2 234.347 2.532 20 0 BFADLO CC(C)[C@H](C)N(C)c1cc(NC2CC2)nc[nH+]1 ZINC000413085484 191356109 /nfs/dbraw/zinc/35/61/09/191356109.db2.gz PQMJRJZGEPTWKA-JTQLQIEISA-N 1 2 234.347 2.532 20 0 BFADLO CCCC[C@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000336723017 358495793 /nfs/dbraw/zinc/49/57/93/358495793.db2.gz YPRRJCQERHGIPF-QWRGUYRKSA-N 1 2 237.347 2.803 20 0 BFADLO C[C@@H]1C[C@H](C)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413024427 191343708 /nfs/dbraw/zinc/34/37/08/191343708.db2.gz MQTKNDLODGAYSN-PHIMTYICSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@H](C)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413024427 191343710 /nfs/dbraw/zinc/34/37/10/191343710.db2.gz MQTKNDLODGAYSN-PHIMTYICSA-N 1 2 246.358 2.533 20 0 BFADLO CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413076645 191354365 /nfs/dbraw/zinc/35/43/65/191354365.db2.gz VHZMCNNQLWPWMP-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413076645 191354367 /nfs/dbraw/zinc/35/43/67/191354367.db2.gz VHZMCNNQLWPWMP-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)no1 ZINC000335291511 355266944 /nfs/dbraw/zinc/26/69/44/355266944.db2.gz LVTWHOVERBRHHZ-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)no1 ZINC000335291511 355266946 /nfs/dbraw/zinc/26/69/46/355266946.db2.gz LVTWHOVERBRHHZ-CQSZACIVSA-N 1 2 228.295 2.930 20 0 BFADLO CC(C)(CNc1cccc[nH+]1)OCC1CC1 ZINC000413522515 191392824 /nfs/dbraw/zinc/39/28/24/191392824.db2.gz QRRAVMHIKSGWAT-UHFFFAOYSA-N 1 2 220.316 2.699 20 0 BFADLO F[C@@H]1CCCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000413536282 191393590 /nfs/dbraw/zinc/39/35/90/191393590.db2.gz VFKOGKKZAPIKIN-BXUZGUMPSA-N 1 2 245.301 2.744 20 0 BFADLO C[C@H]1CC(C)(C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000413562483 191397432 /nfs/dbraw/zinc/39/74/32/191397432.db2.gz QBVCPYMISUGKME-JTQLQIEISA-N 1 2 246.358 2.676 20 0 BFADLO C[C@H]1CC(C)(C)CN1c1cc(NC2CC2)nc[nH+]1 ZINC000413562483 191397434 /nfs/dbraw/zinc/39/74/34/191397434.db2.gz QBVCPYMISUGKME-JTQLQIEISA-N 1 2 246.358 2.676 20 0 BFADLO CCCC[C@@H](C)C(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000336723015 358496158 /nfs/dbraw/zinc/49/61/58/358496158.db2.gz YPRRJCQERHGIPF-GHMZBOCLSA-N 1 2 237.347 2.803 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCC(C)(C)C2)c(C)c[nH+]1 ZINC000583519392 355384660 /nfs/dbraw/zinc/38/46/60/355384660.db2.gz DIGJMPBSGKLTBE-LBPRGKRZSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@@H]1C[NH+](Cc2ccns2)C[C@@H](CC)O1 ZINC000639272624 355344005 /nfs/dbraw/zinc/34/40/05/355344005.db2.gz IGLDIDSQMCIQCF-GHMZBOCLSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[NH+](Cc2ccns2)C[C@H](CC)O1 ZINC000639272632 355344437 /nfs/dbraw/zinc/34/44/37/355344437.db2.gz IGLDIDSQMCIQCF-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccns1 ZINC000639276489 355349526 /nfs/dbraw/zinc/34/95/26/355349526.db2.gz CRRNQHJNCGKYGQ-CHWSQXEVSA-N 1 2 248.326 2.870 20 0 BFADLO Cc1nc(C)c(C(=O)Nc2c(C)cc[nH+]c2C)o1 ZINC000335780344 355426960 /nfs/dbraw/zinc/42/69/60/355426960.db2.gz AHFJIPQMYHZQOG-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1ccon1)CC2 ZINC000335784442 355433249 /nfs/dbraw/zinc/43/32/49/355433249.db2.gz IMORWKYASQHEJG-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1ccon1)CC2 ZINC000335784442 355433251 /nfs/dbraw/zinc/43/32/51/355433251.db2.gz IMORWKYASQHEJG-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000349816596 355468691 /nfs/dbraw/zinc/46/86/91/355468691.db2.gz NWBUHQGRTNTORZ-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000349816596 355468692 /nfs/dbraw/zinc/46/86/92/355468692.db2.gz NWBUHQGRTNTORZ-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccon1 ZINC000349835278 355489977 /nfs/dbraw/zinc/48/99/77/355489977.db2.gz PRNDVBPNUYMVOQ-RKDXNWHRSA-N 1 2 235.262 2.621 20 0 BFADLO CCc1cc[nH+]cc1NCc1cnc(OC)s1 ZINC000639294800 355574729 /nfs/dbraw/zinc/57/47/29/355574729.db2.gz MHGXXAWJKDXHKR-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCO1 ZINC000639295248 355578482 /nfs/dbraw/zinc/57/84/82/355578482.db2.gz OYZZAQVZDLKCMO-GWCFXTLKSA-N 1 2 220.316 2.623 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccns1 ZINC000639295604 355580398 /nfs/dbraw/zinc/58/03/98/355580398.db2.gz PSRQKPIBWHUSHG-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000335863610 355627605 /nfs/dbraw/zinc/62/76/05/355627605.db2.gz IRDMPBCDQADQCL-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000335863610 355627608 /nfs/dbraw/zinc/62/76/08/355627608.db2.gz IRDMPBCDQADQCL-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)cc(C[N@@H+]2Cc3cnn(C)c3C2)c1 ZINC000639324240 355718404 /nfs/dbraw/zinc/71/84/04/355718404.db2.gz GXNIKONVZDTLCF-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cc(C)cc(C[N@H+]2Cc3cnn(C)c3C2)c1 ZINC000639324240 355718406 /nfs/dbraw/zinc/71/84/06/355718406.db2.gz GXNIKONVZDTLCF-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(C)CC2)s1 ZINC000335893786 355687205 /nfs/dbraw/zinc/68/72/05/355687205.db2.gz GSXZLFOUWRBSEW-SECBINFHSA-N 1 2 223.345 2.560 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(C)CC2)s1 ZINC000335893786 355687206 /nfs/dbraw/zinc/68/72/06/355687206.db2.gz GSXZLFOUWRBSEW-SECBINFHSA-N 1 2 223.345 2.560 20 0 BFADLO Cc1ccc(NC(=O)N(C2CC2)C2CC2)c(C)[nH+]1 ZINC000626432797 355766035 /nfs/dbraw/zinc/76/60/35/355766035.db2.gz GEBLZSAMRTWVSS-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO Cc1ccc(C)c(C[N@@H+]2Cc3cnn(C)c3C2)c1 ZINC000639326261 355725848 /nfs/dbraw/zinc/72/58/48/355725848.db2.gz XWCKYOLWCGMXEP-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1ccc(C)c(C[N@H+]2Cc3cnn(C)c3C2)c1 ZINC000639326261 355725851 /nfs/dbraw/zinc/72/58/51/355725851.db2.gz XWCKYOLWCGMXEP-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO C[C@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CCCCO1 ZINC000639362333 355817364 /nfs/dbraw/zinc/81/73/64/355817364.db2.gz CLZJSXQBEKXZIJ-SMDDNHRTSA-N 1 2 249.358 2.517 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]cc(N(C)C)c2)C[C@H](C)O1 ZINC000639364992 355836366 /nfs/dbraw/zinc/83/63/66/355836366.db2.gz LSQXFBOYXHOQCJ-GDNZZTSVSA-N 1 2 249.358 2.516 20 0 BFADLO CCCN(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000623907934 355832015 /nfs/dbraw/zinc/83/20/15/355832015.db2.gz JGBYVMFZMATGFV-UHFFFAOYSA-N 1 2 240.310 2.729 20 0 BFADLO CC[C@@H]([NH2+]Cc1cocn1)c1nc(C)cs1 ZINC000192308982 355981299 /nfs/dbraw/zinc/98/12/99/355981299.db2.gz OKMVMVZFDOJOGP-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@H](C)C(F)(F)F ZINC000389285970 355949034 /nfs/dbraw/zinc/94/90/34/355949034.db2.gz VNQMSRMYAYENTL-MRVPVSSYSA-N 1 2 235.253 2.504 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000335917498 356161950 /nfs/dbraw/zinc/16/19/50/356161950.db2.gz CQSJQKUADCLHQR-CQSZACIVSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000335917498 356161952 /nfs/dbraw/zinc/16/19/52/356161952.db2.gz CQSJQKUADCLHQR-CQSZACIVSA-N 1 2 247.317 2.507 20 0 BFADLO CC1(C)C[NH+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000639407296 356200824 /nfs/dbraw/zinc/20/08/24/356200824.db2.gz WVGUFACUDCHWQI-UHFFFAOYSA-N 1 2 249.745 2.830 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC(C)(C)CO1 ZINC000639469636 356255917 /nfs/dbraw/zinc/25/59/17/356255917.db2.gz VBLVDWOKMMKMMS-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC(C)(C)CO1 ZINC000639469636 356255919 /nfs/dbraw/zinc/25/59/19/356255919.db2.gz VBLVDWOKMMKMMS-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+](CCO)Cc1ccccc1 ZINC000639473089 356264312 /nfs/dbraw/zinc/26/43/12/356264312.db2.gz FJXQVCQGXPIQDJ-UHFFFAOYSA-N 1 2 243.297 2.526 20 0 BFADLO CCC(F)(F)C[N@@H+](CCO)Cc1ccccc1 ZINC000639473089 356264314 /nfs/dbraw/zinc/26/43/14/356264314.db2.gz FJXQVCQGXPIQDJ-UHFFFAOYSA-N 1 2 243.297 2.526 20 0 BFADLO CC(=O)C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000639454069 356238168 /nfs/dbraw/zinc/23/81/68/356238168.db2.gz OORDLOJWKSQZDG-VIFPVBQESA-N 1 2 227.254 2.547 20 0 BFADLO CC(=O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000639454069 356238173 /nfs/dbraw/zinc/23/81/73/356238173.db2.gz OORDLOJWKSQZDG-VIFPVBQESA-N 1 2 227.254 2.547 20 0 BFADLO CCC(F)(F)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000639482492 356295741 /nfs/dbraw/zinc/29/57/41/356295741.db2.gz LNUJDOGGUMLKDL-LBPRGKRZSA-N 1 2 243.297 2.529 20 0 BFADLO CCO[C@H]1CCC[N@H+](CC(F)(F)CC)C1 ZINC000639501326 356327773 /nfs/dbraw/zinc/32/77/73/356327773.db2.gz ROVUUWDGGFOHFJ-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCO[C@H]1CCC[N@@H+](CC(F)(F)CC)C1 ZINC000639501326 356327776 /nfs/dbraw/zinc/32/77/76/356327776.db2.gz ROVUUWDGGFOHFJ-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)C[C@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000342802999 535300963 /nfs/dbraw/zinc/30/09/63/535300963.db2.gz SSCWWMPQNYIFSP-LBPRGKRZSA-N 1 2 248.374 2.923 20 0 BFADLO CC(C)C[C@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000342802999 535300968 /nfs/dbraw/zinc/30/09/68/535300968.db2.gz SSCWWMPQNYIFSP-LBPRGKRZSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H]1C[N@H+](CC(F)(F)CC)CCS1 ZINC000639507429 356334743 /nfs/dbraw/zinc/33/47/43/356334743.db2.gz ZIVGABXZMCVXFB-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CC[C@@H]1C[N@@H+](CC(F)(F)CC)CCS1 ZINC000639507429 356334747 /nfs/dbraw/zinc/33/47/47/356334747.db2.gz ZIVGABXZMCVXFB-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1ncc(CN2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000336147111 134102549 /nfs/dbraw/zinc/10/25/49/134102549.db2.gz AMMRAAXMJXCGMI-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)s1 ZINC000336147111 134102550 /nfs/dbraw/zinc/10/25/50/134102550.db2.gz AMMRAAXMJXCGMI-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)s1 ZINC000336147111 134102551 /nfs/dbraw/zinc/10/25/51/134102551.db2.gz AMMRAAXMJXCGMI-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000639555700 356458256 /nfs/dbraw/zinc/45/82/56/356458256.db2.gz RGEMWTFRSNVYJE-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000639555700 356458257 /nfs/dbraw/zinc/45/82/57/356458257.db2.gz RGEMWTFRSNVYJE-SSDOTTSWSA-N 1 2 213.218 2.619 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000352219610 134108724 /nfs/dbraw/zinc/10/87/24/134108724.db2.gz DTVXAMUKVTZWIH-PWSUYJOCSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000352219610 134108725 /nfs/dbraw/zinc/10/87/25/134108725.db2.gz DTVXAMUKVTZWIH-PWSUYJOCSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000420620809 192250015 /nfs/dbraw/zinc/25/00/15/192250015.db2.gz BYFSRDDYPVBRIA-NSHDSACASA-N 1 2 234.274 2.557 20 0 BFADLO COC(=O)[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1 ZINC000609805098 356474128 /nfs/dbraw/zinc/47/41/28/356474128.db2.gz DFWZQKBEUNZUGX-FZMZJTMJSA-N 1 2 247.338 2.536 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](CCOC)c1ccco1 ZINC000639580317 356500880 /nfs/dbraw/zinc/50/08/80/356500880.db2.gz PBMKJWHAUDPEAX-JTQLQIEISA-N 1 2 247.285 2.992 20 0 BFADLO CCC(F)(F)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000639582209 356503060 /nfs/dbraw/zinc/50/30/60/356503060.db2.gz FEBHDGKYJFDMBS-GFCCVEGCSA-N 1 2 247.329 2.780 20 0 BFADLO CC[N@H+](CCC1CC1)Cc1nn(C)cc1Cl ZINC000420913880 192271561 /nfs/dbraw/zinc/27/15/61/192271561.db2.gz BMJGDSIWATWAJQ-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CC[N@@H+](CCC1CC1)Cc1nn(C)cc1Cl ZINC000420913880 192271563 /nfs/dbraw/zinc/27/15/63/192271563.db2.gz BMJGDSIWATWAJQ-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO CC(C)C[N@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420931976 192287005 /nfs/dbraw/zinc/28/70/05/192287005.db2.gz GSDYIZBHKUKKBQ-OTVXOJSOSA-N 1 2 233.355 2.920 20 0 BFADLO CC(C)C[N@@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420931976 192287006 /nfs/dbraw/zinc/28/70/06/192287006.db2.gz GSDYIZBHKUKKBQ-OTVXOJSOSA-N 1 2 233.355 2.920 20 0 BFADLO CCC(F)(F)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000639650493 356561610 /nfs/dbraw/zinc/56/16/10/356561610.db2.gz IVSIOZDRKHWRFF-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000639650493 356561612 /nfs/dbraw/zinc/56/16/12/356561612.db2.gz IVSIOZDRKHWRFF-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C1CCC1 ZINC000449893099 202049056 /nfs/dbraw/zinc/04/90/56/202049056.db2.gz UOCCXZBPIBSRQL-UHFFFAOYSA-N 1 2 246.354 2.831 20 0 BFADLO Fc1cnccc1C[N@@H+]1CCc2ccsc2C1 ZINC000336219177 134138181 /nfs/dbraw/zinc/13/81/81/134138181.db2.gz HFOGVTVFFSYCFS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cnccc1C[N@H+]1CCc2ccsc2C1 ZINC000336219177 134138182 /nfs/dbraw/zinc/13/81/82/134138182.db2.gz HFOGVTVFFSYCFS-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CCO[C@H]1CC[N@H+](CC(F)(F)CC)C[C@@H]1C ZINC000639665341 356579474 /nfs/dbraw/zinc/57/94/74/356579474.db2.gz XRZGUHSCZSHZHO-QWRGUYRKSA-N 1 2 235.318 2.779 20 0 BFADLO CCO[C@H]1CC[N@@H+](CC(F)(F)CC)C[C@@H]1C ZINC000639665341 356579475 /nfs/dbraw/zinc/57/94/75/356579475.db2.gz XRZGUHSCZSHZHO-QWRGUYRKSA-N 1 2 235.318 2.779 20 0 BFADLO CC1(C)CO[C@@H](C[N@@H+]2Cc3cccc(F)c3C2)C1 ZINC000639671432 356587412 /nfs/dbraw/zinc/58/74/12/356587412.db2.gz WRSQSOWGYKIZJK-GFCCVEGCSA-N 1 2 249.329 2.956 20 0 BFADLO CC1(C)CO[C@@H](C[N@H+]2Cc3cccc(F)c3C2)C1 ZINC000639671432 356587415 /nfs/dbraw/zinc/58/74/15/356587415.db2.gz WRSQSOWGYKIZJK-GFCCVEGCSA-N 1 2 249.329 2.956 20 0 BFADLO CC1(C)CCC[C@](O)(CNc2cccc[nH+]2)C1 ZINC000302487293 356618472 /nfs/dbraw/zinc/61/84/72/356618472.db2.gz IRSQFXSNNFSDTE-CQSZACIVSA-N 1 2 234.343 2.825 20 0 BFADLO CCc1cccnc1[C@H](C)[NH2+]CC(C)(F)F ZINC000378663455 356637961 /nfs/dbraw/zinc/63/79/61/356637961.db2.gz DFJLOLJCJFYQNA-VIFPVBQESA-N 1 2 228.286 2.950 20 0 BFADLO CCCN(C)c1nc(N(C)C)c2ccccc2[nH+]1 ZINC000450287424 202121599 /nfs/dbraw/zinc/12/15/99/202121599.db2.gz KJVZBWHDNBLCHK-UHFFFAOYSA-N 1 2 244.342 2.542 20 0 BFADLO COc1cc(C)[nH+]c(CN[C@H](C)C(C)(F)F)c1 ZINC000389449426 356675257 /nfs/dbraw/zinc/67/52/57/356675257.db2.gz QVUKEWOQOSFCIJ-SECBINFHSA-N 1 2 244.285 2.532 20 0 BFADLO Cc1ccccc1[C@H](C)c1noc(C[NH+](C)C)n1 ZINC000350650051 366316212 /nfs/dbraw/zinc/31/62/12/366316212.db2.gz KHJAFGJRJGOYQF-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(C)(F)F ZINC000389488372 356692249 /nfs/dbraw/zinc/69/22/49/356692249.db2.gz OTURKVRSLWORDI-SSDOTTSWSA-N 1 2 233.233 2.665 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389462237 356681409 /nfs/dbraw/zinc/68/14/09/356681409.db2.gz GWEJFCGWGCUPCU-SECBINFHSA-N 1 2 229.270 2.829 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)nc1 ZINC000389463100 356681567 /nfs/dbraw/zinc/68/15/67/356681567.db2.gz FZZWFPBRNOMIMV-VIFPVBQESA-N 1 2 214.259 2.523 20 0 BFADLO COc1ccccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389475909 356684687 /nfs/dbraw/zinc/68/46/87/356684687.db2.gz ZGRMVXKSNRFXOH-VIFPVBQESA-N 1 2 229.270 2.829 20 0 BFADLO Cc1ncccc1C[NH2+][C@H](C)C(C)(F)F ZINC000389476284 356684811 /nfs/dbraw/zinc/68/48/11/356684811.db2.gz ZYSZBMIZAHFUKF-SECBINFHSA-N 1 2 214.259 2.523 20 0 BFADLO CCN(Cc1ccoc1)c1cc[nH+]c(C2CC2)n1 ZINC000112555122 356700973 /nfs/dbraw/zinc/70/09/73/356700973.db2.gz FKEQQHBDHJIUFR-UHFFFAOYSA-N 1 2 243.310 2.974 20 0 BFADLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC000035044805 356703606 /nfs/dbraw/zinc/70/36/06/356703606.db2.gz HFZRBDDJDBYYQV-CQSZACIVSA-N 1 2 249.354 2.672 20 0 BFADLO CC[N@H+](Cc1ccccn1)[C@@H](C)c1ncc(C)o1 ZINC000356985297 356811114 /nfs/dbraw/zinc/81/11/14/356811114.db2.gz NUIQAGBOBKPMMV-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccn1)[C@@H](C)c1ncc(C)o1 ZINC000356985297 356811118 /nfs/dbraw/zinc/81/11/18/356811118.db2.gz NUIQAGBOBKPMMV-LBPRGKRZSA-N 1 2 245.326 2.961 20 0 BFADLO COc1cccc2c1cc[nH+]c2NCC[C@H](C)F ZINC000450541039 202191922 /nfs/dbraw/zinc/19/19/22/202191922.db2.gz BVWQNTOEUZHUNH-JTQLQIEISA-N 1 2 248.301 2.825 20 0 BFADLO CC[N@H+](Cc1nc([C@@H](C)C2CC2)no1)C1CC1 ZINC000357593768 356838398 /nfs/dbraw/zinc/83/83/98/356838398.db2.gz IQGLEUWUYSYPMR-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO CC[N@@H+](Cc1nc([C@@H](C)C2CC2)no1)C1CC1 ZINC000357593768 356838403 /nfs/dbraw/zinc/83/84/03/356838403.db2.gz IQGLEUWUYSYPMR-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000361132506 356918102 /nfs/dbraw/zinc/91/81/02/356918102.db2.gz QBRGRDBPPQLOCG-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO C[C@@H](O)CC[N@@H+]1CCCCCc2ccccc21 ZINC000450566692 202199407 /nfs/dbraw/zinc/19/94/07/202199407.db2.gz PXGCRMXGZYOMPR-CYBMUJFWSA-N 1 2 233.355 2.990 20 0 BFADLO C[C@@H](O)CC[N@H+]1CCCCCc2ccccc21 ZINC000450566692 202199409 /nfs/dbraw/zinc/19/94/09/202199409.db2.gz PXGCRMXGZYOMPR-CYBMUJFWSA-N 1 2 233.355 2.990 20 0 BFADLO Cc1nc(N2CCC[C@](C)(F)C2)c(C)c(C)[nH+]1 ZINC000450550056 202195279 /nfs/dbraw/zinc/19/52/79/202195279.db2.gz CFXVAICBXGXJGL-ZDUSSCGKSA-N 1 2 237.322 2.730 20 0 BFADLO Cc1nc(C(C)(C)[NH2+]CC2=CCCCC2)no1 ZINC000450557998 202196240 /nfs/dbraw/zinc/19/62/40/202196240.db2.gz OFWALCBYZDWOCP-UHFFFAOYSA-N 1 2 235.331 2.703 20 0 BFADLO Fc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000019776988 356988421 /nfs/dbraw/zinc/98/84/21/356988421.db2.gz RRPTYPQBXBKZTO-UHFFFAOYSA-N 1 2 232.258 2.712 20 0 BFADLO Fc1c(Cl)cccc1CNc1c[nH]c[nH+]1 ZINC000389878344 357058230 /nfs/dbraw/zinc/05/82/30/357058230.db2.gz MXIGJLYULYRIOT-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO C[C@@H]([NH2+]CC(C)(C)F)c1cscn1 ZINC000631657671 357062430 /nfs/dbraw/zinc/06/24/30/357062430.db2.gz GCPXHJUOTSDZDT-SSDOTTSWSA-N 1 2 202.298 2.542 20 0 BFADLO CC(C)c1cnc(C[NH2+]Cc2ccno2)s1 ZINC000390146229 357082523 /nfs/dbraw/zinc/08/25/23/357082523.db2.gz QZJLGQBTLAWZBC-UHFFFAOYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1nnc(C[NH2+][C@H]2CCCc3occc32)s1 ZINC000391776584 357135335 /nfs/dbraw/zinc/13/53/35/357135335.db2.gz CLQGRUVWHDSBSC-JTQLQIEISA-N 1 2 249.339 2.607 20 0 BFADLO CC(C)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889533 357155795 /nfs/dbraw/zinc/15/57/95/357155795.db2.gz CTXQLIJUWMHVIH-UHFFFAOYSA-N 1 2 243.310 2.857 20 0 BFADLO COc1ccc[nH+]c1NCCc1scnc1C ZINC000391202719 357125885 /nfs/dbraw/zinc/12/58/85/357125885.db2.gz MIVCEIRGUVEYIK-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1[C@@H](C)CCC1(C)C ZINC000639899880 357281348 /nfs/dbraw/zinc/28/13/48/357281348.db2.gz LQTWMVHJENYASC-NSHDSACASA-N 1 2 247.342 2.607 20 0 BFADLO Clc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628426662 357255198 /nfs/dbraw/zinc/25/51/98/357255198.db2.gz DYLRMHHZVJOXRR-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO C/C(=C\c1ccccc1)C[NH+]1CC2(C1)CCCO2 ZINC000628426967 357257489 /nfs/dbraw/zinc/25/74/89/357257489.db2.gz XSKPRQJUGSRSSU-GXDHUFHOSA-N 1 2 243.350 2.955 20 0 BFADLO Clc1cccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628426887 357257595 /nfs/dbraw/zinc/25/75/95/357257595.db2.gz SHPTULLLUICWIU-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Cc1cnc(C)c(NCc2cc(C)[nH+]c(C)c2)n1 ZINC000582539723 357338218 /nfs/dbraw/zinc/33/82/18/357338218.db2.gz MDGHRGZLEKGSDG-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000582971151 357447755 /nfs/dbraw/zinc/44/77/55/357447755.db2.gz UGHBKMKGJWALCF-KOLCDFICSA-N 1 2 249.358 2.506 20 0 BFADLO CCC1(CC)CC[NH+](Cc2csnn2)CC1 ZINC000188659589 357570799 /nfs/dbraw/zinc/57/07/99/357570799.db2.gz ILKYWVQZSFAZRK-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO FC(F)Oc1ccccc1Cn1cc[nH+]c1 ZINC000073604282 325205639 /nfs/dbraw/zinc/20/56/39/325205639.db2.gz YIKBTMCYGGHVGN-UHFFFAOYSA-N 1 2 224.210 2.533 20 0 BFADLO CC[C@@H](C)CC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000189028355 357600981 /nfs/dbraw/zinc/60/09/81/357600981.db2.gz ROEODBXGPOONPO-LLVKDONJSA-N 1 2 249.358 2.547 20 0 BFADLO Cc1cnc([C@H]([NH2+]Cc2cocn2)C2CC2)s1 ZINC000191102137 357750797 /nfs/dbraw/zinc/75/07/97/357750797.db2.gz TXVNSXDGVGTIKD-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO CC[N@H+](Cc1ccccc1C)Cc1ncccn1 ZINC000191903353 357804304 /nfs/dbraw/zinc/80/43/04/357804304.db2.gz WCEYVYUBYKDHLV-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO CC[N@@H+](Cc1ccccc1C)Cc1ncccn1 ZINC000191903353 357804305 /nfs/dbraw/zinc/80/43/05/357804305.db2.gz WCEYVYUBYKDHLV-UHFFFAOYSA-N 1 2 241.338 2.807 20 0 BFADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2ncccn2)cc1 ZINC000191943421 357806328 /nfs/dbraw/zinc/80/63/28/357806328.db2.gz XJOCMJKIDLLQCJ-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ncccn2)cc1 ZINC000191943421 357806331 /nfs/dbraw/zinc/80/63/31/357806331.db2.gz XJOCMJKIDLLQCJ-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cn1c[nH+]cc1CN1CC(C)(C)[C@@H]1c1ccco1 ZINC000639925695 357829886 /nfs/dbraw/zinc/82/98/86/357829886.db2.gz CKXFVDJCWFINLD-ZDUSSCGKSA-N 1 2 245.326 2.596 20 0 BFADLO COc1ncccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000193320300 357876293 /nfs/dbraw/zinc/87/62/93/357876293.db2.gz WKEUTGVLPPFNIO-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO COc1ncccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000193320300 357876298 /nfs/dbraw/zinc/87/62/98/357876298.db2.gz WKEUTGVLPPFNIO-NSHDSACASA-N 1 2 246.310 2.876 20 0 BFADLO C[C@@H]1CCC[C@@H](CC[N@H+](CCO)CC(F)F)C1 ZINC000193397869 357881230 /nfs/dbraw/zinc/88/12/30/357881230.db2.gz MMBOUNZVWCTEDG-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@@H]1CCC[C@@H](CC[N@@H+](CCO)CC(F)F)C1 ZINC000193397869 357881231 /nfs/dbraw/zinc/88/12/31/357881231.db2.gz MMBOUNZVWCTEDG-NEPJUHHUSA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000193496155 357929166 /nfs/dbraw/zinc/92/91/66/357929166.db2.gz CJLHKBUVHGXEIF-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000193496155 357929169 /nfs/dbraw/zinc/92/91/69/357929169.db2.gz CJLHKBUVHGXEIF-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCC1CCC1 ZINC000639972883 358031424 /nfs/dbraw/zinc/03/14/24/358031424.db2.gz YJTKNARIZVEJNI-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCC1CCC1 ZINC000639972883 358031428 /nfs/dbraw/zinc/03/14/28/358031428.db2.gz YJTKNARIZVEJNI-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(F)ccc1F ZINC000036922030 358056442 /nfs/dbraw/zinc/05/64/42/358056442.db2.gz ORFUCFMSVKMHNJ-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000037103514 358065397 /nfs/dbraw/zinc/06/53/97/358065397.db2.gz FLPLRJJHYLPMPR-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(F)F ZINC000389930628 491121757 /nfs/dbraw/zinc/12/17/57/491121757.db2.gz ZXLVNUKKALNWRS-QMMMGPOBSA-N 1 2 224.254 2.911 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(CC(C)C)n1 ZINC000351133824 358158400 /nfs/dbraw/zinc/15/84/00/358158400.db2.gz TXZPLVUQCONJLV-UHFFFAOYSA-N 1 2 245.326 2.757 20 0 BFADLO Cc1cc[nH+]c(NCCC(C)(C)CO)c1Cl ZINC000450628173 202217796 /nfs/dbraw/zinc/21/77/96/202217796.db2.gz KCGWXMOWZAJZRJ-UHFFFAOYSA-N 1 2 242.750 2.864 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3c(c2)CCCC3)[nH]n1 ZINC000584831898 358195939 /nfs/dbraw/zinc/19/59/39/358195939.db2.gz LDNBLYVEXMWXFP-UHFFFAOYSA-N 1 2 241.338 2.578 20 0 BFADLO CC[C@@H](NC(=O)c1ccsc1C)c1[nH]cc[nH+]1 ZINC000450674834 202231840 /nfs/dbraw/zinc/23/18/40/202231840.db2.gz TVJBEJSYAFRLEV-SNVBAGLBSA-N 1 2 249.339 2.661 20 0 BFADLO CC/C=C\CNc1[nH+]c(C)nc2[nH]ccc21 ZINC000450694383 202237179 /nfs/dbraw/zinc/23/71/79/202237179.db2.gz ONWXIFDZNJSPPX-PLNGDYQASA-N 1 2 216.288 2.596 20 0 BFADLO C[C@@]12CN(c3cccc[nH+]3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000450698822 202237533 /nfs/dbraw/zinc/23/75/33/202237533.db2.gz XTNPYFLXUUEDBE-OSFYFWSMSA-N 1 2 226.323 2.730 20 0 BFADLO COC1(CSc2[nH+]cc3ccccn32)CCC1 ZINC000450707897 202239500 /nfs/dbraw/zinc/23/95/00/202239500.db2.gz MCJXBESRLSJFLI-UHFFFAOYSA-N 1 2 248.351 2.996 20 0 BFADLO CC[C@H](NC(=O)CCCC(C)C)c1[nH]cc[nH+]1 ZINC000450669882 202231067 /nfs/dbraw/zinc/23/10/67/202231067.db2.gz CTQRENZCJHAODV-NSHDSACASA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000450722967 202246219 /nfs/dbraw/zinc/24/62/19/202246219.db2.gz FPQNXQHGVHAFLF-MNOVXSKESA-N 1 2 227.311 2.510 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)o1 ZINC000229127627 358345981 /nfs/dbraw/zinc/34/59/81/358345981.db2.gz PQNQKMYQBJRPMK-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CC[C@@H]1C[C@H]1c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000351071123 366404378 /nfs/dbraw/zinc/40/43/78/366404378.db2.gz AXJAUILEZONYSL-VXGBXAGGSA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@@H]1C[C@H]1c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351237464 366457378 /nfs/dbraw/zinc/45/73/78/366457378.db2.gz ROLIVURESNCWTL-ZYHUDNBSSA-N 1 2 243.310 2.877 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CC(C)(C)C)n1 ZINC000351239316 366457091 /nfs/dbraw/zinc/45/70/91/366457091.db2.gz LFSBYPNYDLTGHO-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO CCCCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351226681 366454058 /nfs/dbraw/zinc/45/40/58/366454058.db2.gz FFRKNZVXRFRMEI-UHFFFAOYSA-N 1 2 231.299 2.706 20 0 BFADLO C[C@H](C[C@H](C)O)Nc1ccc2ccccc2[nH+]1 ZINC000130356213 358620619 /nfs/dbraw/zinc/62/06/19/358620619.db2.gz VFUBZCBCPCCISD-MNOVXSKESA-N 1 2 230.311 2.806 20 0 BFADLO C[C@@H](O)C[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000130355595 358620681 /nfs/dbraw/zinc/62/06/81/358620681.db2.gz VFUBZCBCPCCISD-WDEREUQCSA-N 1 2 230.311 2.806 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000049801974 358703762 /nfs/dbraw/zinc/70/37/62/358703762.db2.gz DAGMYNYKDGOCNI-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000049801974 358703766 /nfs/dbraw/zinc/70/37/66/358703766.db2.gz DAGMYNYKDGOCNI-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000049141649 358673066 /nfs/dbraw/zinc/67/30/66/358673066.db2.gz NTSZBEYZHMUYLY-LLVKDONJSA-N 1 2 243.310 2.857 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000049141651 358673135 /nfs/dbraw/zinc/67/31/35/358673135.db2.gz NTSZBEYZHMUYLY-NSHDSACASA-N 1 2 243.310 2.857 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000049247816 358677863 /nfs/dbraw/zinc/67/78/63/358677863.db2.gz WFDGMPJPDDFOSG-MRVPVSSYSA-N 1 2 231.299 2.856 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1 ZINC000054459586 358863168 /nfs/dbraw/zinc/86/31/68/358863168.db2.gz QHVBRXJSKPLFIH-GFCCVEGCSA-N 1 2 227.311 2.636 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)c(C)o1 ZINC000054459662 358863192 /nfs/dbraw/zinc/86/31/92/358863192.db2.gz CPGSCIDWILYDBU-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000053608640 358835888 /nfs/dbraw/zinc/83/58/88/358835888.db2.gz CFVBLXCBGPFHJF-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000053608640 358835891 /nfs/dbraw/zinc/83/58/91/358835891.db2.gz CFVBLXCBGPFHJF-SNVBAGLBSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1noc(CSCCc2cccc(C)[nH+]2)n1 ZINC000578323804 366512467 /nfs/dbraw/zinc/51/24/67/366512467.db2.gz XFHMNBNMYDYCHM-UHFFFAOYSA-N 1 2 249.339 2.557 20 0 BFADLO Cc1cccc(OCCNc2cc[nH+]c(C)n2)c1 ZINC000054936334 358879801 /nfs/dbraw/zinc/87/98/01/358879801.db2.gz NUXHBKVMSDBXCS-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@H]2c2ccccc2)cc[nH+]1 ZINC000054936355 358879873 /nfs/dbraw/zinc/87/98/73/358879873.db2.gz KFGIFRUJUCUMKJ-CHWSQXEVSA-N 1 2 225.295 2.753 20 0 BFADLO CC[C@H](NC(=O)c1cscc1C)c1[nH]cc[nH+]1 ZINC000140642992 358923998 /nfs/dbraw/zinc/92/39/98/358923998.db2.gz FGCRCTXKWSGJBJ-JTQLQIEISA-N 1 2 249.339 2.661 20 0 BFADLO CC[C@H](NC(=O)c1ccc(C)cc1)c1[nH]cc[nH+]1 ZINC000140696735 358924610 /nfs/dbraw/zinc/92/46/10/358924610.db2.gz KOGRKRRBOXFAOT-LBPRGKRZSA-N 1 2 243.310 2.599 20 0 BFADLO FC(F)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000060466564 358925800 /nfs/dbraw/zinc/92/58/00/358925800.db2.gz QAONVPOHHGYXPT-UHFFFAOYSA-N 1 2 224.210 2.533 20 0 BFADLO Cc1noc(C)c1C[NH2+]Cc1ccc(Cl)o1 ZINC000061030239 358931328 /nfs/dbraw/zinc/93/13/28/358931328.db2.gz IFBSUWDJOZVHHQ-UHFFFAOYSA-N 1 2 240.690 2.828 20 0 BFADLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCC1 ZINC000074830043 359130366 /nfs/dbraw/zinc/13/03/66/359130366.db2.gz XPXSBOILIAQSST-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)C(C)(C)C)ccc2n1C ZINC000074985645 359137398 /nfs/dbraw/zinc/13/73/98/359137398.db2.gz TWSCULQOYFPPPS-UHFFFAOYSA-N 1 2 245.326 2.866 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1ccc(F)cc1F ZINC000248148172 359255849 /nfs/dbraw/zinc/25/58/49/359255849.db2.gz WNVQUPQLGSBIMR-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1F ZINC000248148172 359255854 /nfs/dbraw/zinc/25/58/54/359255854.db2.gz WNVQUPQLGSBIMR-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CC[C@]1(C)CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000075998577 359263362 /nfs/dbraw/zinc/26/33/62/359263362.db2.gz FZXHFTQQKVQMDA-CQSZACIVSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@]1(C)CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000075998577 359263366 /nfs/dbraw/zinc/26/33/66/359263366.db2.gz FZXHFTQQKVQMDA-CQSZACIVSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nccn2C)[C@H]1c1ccccc1 ZINC000248345589 359268803 /nfs/dbraw/zinc/26/88/03/359268803.db2.gz MYDILECQDAXNGG-IUODEOHRSA-N 1 2 241.338 2.613 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nccn2C)[C@H]1c1ccccc1 ZINC000248345589 359268806 /nfs/dbraw/zinc/26/88/06/359268806.db2.gz MYDILECQDAXNGG-IUODEOHRSA-N 1 2 241.338 2.613 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395662 359358739 /nfs/dbraw/zinc/35/87/39/359358739.db2.gz NRYNRDIXVDWBIG-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CC[C@H](Nc1[nH+]ccc2ccc(F)cc21)[C@@H](C)O ZINC000450801762 202269867 /nfs/dbraw/zinc/26/98/67/202269867.db2.gz SNVVGURNXKDCLC-RNCFNFMXSA-N 1 2 248.301 2.945 20 0 BFADLO Cc1cc[nH+]c(NCCC2(CO)CC2)c1Cl ZINC000450833277 202281172 /nfs/dbraw/zinc/28/11/72/202281172.db2.gz JVUYSGKNNVLNKP-UHFFFAOYSA-N 1 2 240.734 2.618 20 0 BFADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@@H]1CC1(C)C ZINC000450875919 202296184 /nfs/dbraw/zinc/29/61/84/202296184.db2.gz OKKDDLUVGDHWRB-SECBINFHSA-N 1 2 237.372 2.646 20 0 BFADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@@H]1CC1(C)C ZINC000450875919 202296188 /nfs/dbraw/zinc/29/61/88/202296188.db2.gz OKKDDLUVGDHWRB-SECBINFHSA-N 1 2 237.372 2.646 20 0 BFADLO Cc1nc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc[nH+]1 ZINC000450926746 202311992 /nfs/dbraw/zinc/31/19/92/202311992.db2.gz ATHIQYVXCDGCKB-QVHKTLOISA-N 1 2 243.354 2.657 20 0 BFADLO Cc1nc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc[nH+]1 ZINC000450926748 202313176 /nfs/dbraw/zinc/31/31/76/202313176.db2.gz ATHIQYVXCDGCKB-UKTARXLSSA-N 1 2 243.354 2.657 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451109591 202350636 /nfs/dbraw/zinc/35/06/36/202350636.db2.gz BDAPGSYPDWLQOK-MFKMUULPSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@](C)(F)C1 ZINC000451109591 202350640 /nfs/dbraw/zinc/35/06/40/202350640.db2.gz BDAPGSYPDWLQOK-MFKMUULPSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@H](O)CCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000451059331 202341113 /nfs/dbraw/zinc/34/11/13/202341113.db2.gz COABNPJDJVASDN-CMPLNLGQSA-N 1 2 243.297 2.743 20 0 BFADLO CCC(CC)([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000612520734 359871994 /nfs/dbraw/zinc/87/19/94/359871994.db2.gz XEUDPVQLDHTGIS-UHFFFAOYSA-N 1 2 249.354 2.816 20 0 BFADLO F[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000451184689 202372591 /nfs/dbraw/zinc/37/25/91/202372591.db2.gz KRXODFPIIIBTHX-SNVBAGLBSA-N 1 2 243.709 2.763 20 0 BFADLO F[C@@H]1CC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000451184689 202372594 /nfs/dbraw/zinc/37/25/94/202372594.db2.gz KRXODFPIIIBTHX-SNVBAGLBSA-N 1 2 243.709 2.763 20 0 BFADLO CCc1[nH+]c2ccccc2n1CC1(O)CCCC1 ZINC000087464001 359913368 /nfs/dbraw/zinc/91/33/68/359913368.db2.gz CWRXOFXKBFLZNK-UHFFFAOYSA-N 1 2 244.338 2.904 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(F)cc(F)c1 ZINC000090169828 360060510 /nfs/dbraw/zinc/06/05/10/360060510.db2.gz STIUCXSYXIVBDV-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(OC)c1 ZINC000090169840 360061416 /nfs/dbraw/zinc/06/14/16/360061416.db2.gz GFZUGGWXKCQWQK-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1F ZINC000092018328 360145565 /nfs/dbraw/zinc/14/55/65/360145565.db2.gz YUPPYGQUSDBIST-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1F ZINC000092018328 360145569 /nfs/dbraw/zinc/14/55/69/360145569.db2.gz YUPPYGQUSDBIST-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO c1cn(CCCNc2nccc3occc32)c[nH+]1 ZINC000091424718 360115862 /nfs/dbraw/zinc/11/58/62/360115862.db2.gz VVXCKWFBGAUVJO-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C)Cc2cnccn2)c1 ZINC000092590806 360185147 /nfs/dbraw/zinc/18/51/47/360185147.db2.gz RBGGJWIIDXQYRS-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cnccn2)c1 ZINC000092590806 360185152 /nfs/dbraw/zinc/18/51/52/360185152.db2.gz RBGGJWIIDXQYRS-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCc1cc(NCCC2(F)CCC2)nc[nH+]1 ZINC000309447771 491148395 /nfs/dbraw/zinc/14/83/95/491148395.db2.gz KHKPMQVCFMJDCM-UHFFFAOYSA-N 1 2 223.295 2.733 20 0 BFADLO Cc1ccc(NC(=O)c2ccccc2O)c(C)[nH+]1 ZINC000094666434 360314959 /nfs/dbraw/zinc/31/49/59/360314959.db2.gz IMWDLICXWAAYGW-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO Cc1cc(C)c(NC(=O)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000097366540 360370840 /nfs/dbraw/zinc/37/08/40/360370840.db2.gz MWRRTBRQHJKLEM-GFCCVEGCSA-N 1 2 248.326 2.514 20 0 BFADLO CC(C)c1nc(C[N@H+](C)CC2CCCC2)no1 ZINC000064021828 360889459 /nfs/dbraw/zinc/88/94/59/360889459.db2.gz CJNUCPISCKATRZ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)CC2CCCC2)no1 ZINC000064021828 360889462 /nfs/dbraw/zinc/88/94/62/360889462.db2.gz CJNUCPISCKATRZ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1c[nH]c(SCc2c[nH+]cn2C)n1 ZINC000629221840 360959032 /nfs/dbraw/zinc/95/90/32/360959032.db2.gz PKCATOVBSXCYGJ-UHFFFAOYSA-N 1 2 236.344 2.559 20 0 BFADLO C[C@H]1C[C@@H]1COc1ccccc1-n1cc[nH+]c1 ZINC000629357777 361002424 /nfs/dbraw/zinc/00/24/24/361002424.db2.gz BPUPWRROSWLLAH-NWDGAFQWSA-N 1 2 228.295 2.907 20 0 BFADLO C[C@H]1C[C@H]1COc1cccc(-n2cc[nH+]c2)c1 ZINC000629357901 361002577 /nfs/dbraw/zinc/00/25/77/361002577.db2.gz JFLFNSCEBLJQSO-RYUDHWBXSA-N 1 2 228.295 2.907 20 0 BFADLO Cc1[nH+]c2cc(OC[C@H]3C[C@H]3C)ccc2n1C ZINC000629370080 361016715 /nfs/dbraw/zinc/01/67/15/361016715.db2.gz WEAZTLGYEORWAB-MWLCHTKSSA-N 1 2 230.311 2.917 20 0 BFADLO CCCc1ccccc1OCc1c[nH+]cn1C ZINC000629412734 361060903 /nfs/dbraw/zinc/06/09/03/361060903.db2.gz JZLRSCZVHMZAGK-UHFFFAOYSA-N 1 2 230.311 2.952 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000306613828 361086134 /nfs/dbraw/zinc/08/61/34/361086134.db2.gz LEQGJATXOIYOHP-UYXSQOIJSA-N 1 2 207.239 2.715 20 0 BFADLO CCC[C@H]([NH2+]Cc1cc[nH]n1)c1cc(C)ccn1 ZINC000631578809 361129518 /nfs/dbraw/zinc/12/95/18/361129518.db2.gz ASYDVJUWIURONQ-ZDUSSCGKSA-N 1 2 244.342 2.744 20 0 BFADLO CC[C@@](C)([NH2+]Cc1cc(C)cc(C)c1)C(=O)OC ZINC000428290283 201005928 /nfs/dbraw/zinc/00/59/28/201005928.db2.gz WTDCRLWWTTTZMK-OAHLLOKOSA-N 1 2 249.354 2.735 20 0 BFADLO CCc1ccccc1C[NH2+][C@@](C)(CC)C(=O)OC ZINC000428292300 201005338 /nfs/dbraw/zinc/00/53/38/201005338.db2.gz YCXDFVWUTLFMDN-HNNXBMFYSA-N 1 2 249.354 2.680 20 0 BFADLO CC1(C)CC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000614274447 363768107 /nfs/dbraw/zinc/76/81/07/363768107.db2.gz AFKPVZMZWSYICB-NSHDSACASA-N 1 2 243.310 2.709 20 0 BFADLO CC[C@H](C)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579365191 366771781 /nfs/dbraw/zinc/77/17/81/366771781.db2.gz QWXYZYXDIPCZEL-JTQLQIEISA-N 1 2 237.347 2.587 20 0 BFADLO CCOC(=O)C(CC)(CC)[NH2+][C@@H]1C=CCCC1 ZINC000429303061 201097447 /nfs/dbraw/zinc/09/74/47/201097447.db2.gz VHPODFYAEOQTSP-GFCCVEGCSA-N 1 2 239.359 2.807 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429578069 201117966 /nfs/dbraw/zinc/11/79/66/201117966.db2.gz RNWCRHUPMFHSSN-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429578069 201117971 /nfs/dbraw/zinc/11/79/71/201117971.db2.gz RNWCRHUPMFHSSN-QWRGUYRKSA-N 1 2 237.347 2.643 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429573023 201118451 /nfs/dbraw/zinc/11/84/51/201118451.db2.gz XGEBNSZJSBYGFX-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)no1 ZINC000429573023 201118453 /nfs/dbraw/zinc/11/84/53/201118453.db2.gz XGEBNSZJSBYGFX-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO CSCC[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000429698767 201127897 /nfs/dbraw/zinc/12/78/97/201127897.db2.gz MYOLKJFDJVYXFJ-UHFFFAOYSA-N 1 2 242.388 2.767 20 0 BFADLO CSCC[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC000429698767 201127901 /nfs/dbraw/zinc/12/79/01/201127901.db2.gz MYOLKJFDJVYXFJ-UHFFFAOYSA-N 1 2 242.388 2.767 20 0 BFADLO COc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)[nH+]c1 ZINC000309871072 491157800 /nfs/dbraw/zinc/15/78/00/491157800.db2.gz QPRRWVXWPKEQDR-ONGXEEELSA-N 1 2 220.316 2.937 20 0 BFADLO C[C@@H](O)[C@H]([NH2+]Cc1ccco1)c1ccccc1F ZINC000579481404 366826359 /nfs/dbraw/zinc/82/63/59/366826359.db2.gz DTLVMQUTMJYMMD-YGRLFVJLSA-N 1 2 249.285 2.630 20 0 BFADLO C[C@H](O)[C@@H]([NH2+]Cc1ccco1)c1ccccc1F ZINC000579481402 366826588 /nfs/dbraw/zinc/82/65/88/366826588.db2.gz DTLVMQUTMJYMMD-IINYFYTJSA-N 1 2 249.285 2.630 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433785405 201192781 /nfs/dbraw/zinc/19/27/81/201192781.db2.gz INIHGLPRWUVZMC-RKDXNWHRSA-N 1 2 232.331 2.535 20 0 BFADLO C[C@@H](CO)Nc1ccc(-c2cccs2)c[nH+]1 ZINC000629690817 361616507 /nfs/dbraw/zinc/61/65/07/361616507.db2.gz OOSCMAQJJGCRTJ-VIFPVBQESA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ccccc1-c1ccc(N[C@@H](C)CO)[nH+]c1 ZINC000629712264 361648928 /nfs/dbraw/zinc/64/89/28/361648928.db2.gz SPRHYVIZQCHXDU-LBPRGKRZSA-N 1 2 242.322 2.850 20 0 BFADLO CNc1ccc(-c2cc(C)c(OC)cc2C)c[nH+]1 ZINC000629710959 361646019 /nfs/dbraw/zinc/64/60/19/361646019.db2.gz NEJUFOUBQZCMGH-UHFFFAOYSA-N 1 2 242.322 2.838 20 0 BFADLO c1cc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)co1 ZINC000629715073 361657044 /nfs/dbraw/zinc/65/70/44/361657044.db2.gz UDLABPPUWPKEEH-ZDUSSCGKSA-N 1 2 244.294 2.933 20 0 BFADLO Cc1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)cc1 ZINC000629732510 361671195 /nfs/dbraw/zinc/67/11/95/361671195.db2.gz OQYBTFHEMICFAZ-LBPRGKRZSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)s1 ZINC000629758251 361686719 /nfs/dbraw/zinc/68/67/19/361686719.db2.gz PZOCKDGFOQUSQU-VIFPVBQESA-N 1 2 248.351 2.911 20 0 BFADLO Cc1ccc(F)c(CN(C)c2cc(C)[nH+]cn2)c1 ZINC000436424555 201327241 /nfs/dbraw/zinc/32/72/41/201327241.db2.gz FZILQTHYKAFMMQ-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO CCCCc1cc(N[C@H](C)[C@H](C)OC)nc[nH+]1 ZINC000631278718 364044067 /nfs/dbraw/zinc/04/40/67/364044067.db2.gz LVZKYGKOAJDRHF-MNOVXSKESA-N 1 2 237.347 2.655 20 0 BFADLO CCC(C)(C)CCNc1[nH+]cnc2c1cnn2C ZINC000630384871 364097528 /nfs/dbraw/zinc/09/75/28/364097528.db2.gz GYEVFLLYSKUUMM-UHFFFAOYSA-N 1 2 247.346 2.602 20 0 BFADLO CC[C@H](N[C@@H](C)c1[nH+]ccn1CC)C(F)F ZINC000453227108 202711120 /nfs/dbraw/zinc/71/11/20/202711120.db2.gz ARAWVRHHZCWGNM-IUCAKERBSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccncc1)C(F)F ZINC000453250010 202721315 /nfs/dbraw/zinc/72/13/15/202721315.db2.gz RCOWDZJJCFXENH-SCZZXKLOSA-N 1 2 214.259 2.776 20 0 BFADLO CSCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000181887822 366852682 /nfs/dbraw/zinc/85/26/82/366852682.db2.gz WGXQDPZCDHOALK-UHFFFAOYSA-N 1 2 234.324 2.614 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CCCC2(CC2)C1)c1[nH]cc[nH+]1 ZINC000615157705 364547890 /nfs/dbraw/zinc/54/78/90/364547890.db2.gz FWCQZUCZMJLFHS-GHMZBOCLSA-N 1 2 247.342 2.557 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)C[C@H](C)C1 ZINC000573338283 364803710 /nfs/dbraw/zinc/80/37/10/364803710.db2.gz IYFDYBYYNZBAKW-QWRGUYRKSA-N 1 2 233.359 2.966 20 0 BFADLO Cc1c[nH+]c(C)nc1NC1CCCCC1 ZINC000573742380 364907993 /nfs/dbraw/zinc/90/79/93/364907993.db2.gz UQGAQIAZTOQFKC-UHFFFAOYSA-N 1 2 205.305 2.838 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000574212116 365011863 /nfs/dbraw/zinc/01/18/63/365011863.db2.gz ILCUIYKSQSETQK-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)cc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000574212116 365011866 /nfs/dbraw/zinc/01/18/66/365011866.db2.gz ILCUIYKSQSETQK-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000168873482 365021183 /nfs/dbraw/zinc/02/11/83/365021183.db2.gz UOOAUFRCDRZFKL-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000168873482 365021189 /nfs/dbraw/zinc/02/11/89/365021189.db2.gz UOOAUFRCDRZFKL-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccon1 ZINC000442878389 192998638 /nfs/dbraw/zinc/99/86/38/192998638.db2.gz SURJJCQCYCORRZ-VHSXEESVSA-N 1 2 232.283 2.792 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575065209 365183753 /nfs/dbraw/zinc/18/37/53/365183753.db2.gz AJZXJQDTDAXASE-GHMZBOCLSA-N 1 2 249.358 2.587 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000575065211 365184509 /nfs/dbraw/zinc/18/45/09/365184509.db2.gz AJZXJQDTDAXASE-QWRGUYRKSA-N 1 2 249.358 2.587 20 0 BFADLO c1cc2[nH+]ccc(NC3CCCCC3)c2cn1 ZINC000444109778 193034309 /nfs/dbraw/zinc/03/43/09/193034309.db2.gz HBVJYWFIBZRLTF-UHFFFAOYSA-N 1 2 227.311 2.796 20 0 BFADLO CCCCN(C)c1[nH+]c2cccc(F)c2n1C ZINC000443413114 193021572 /nfs/dbraw/zinc/02/15/72/193021572.db2.gz LGXPMVDWWIEPHK-UHFFFAOYSA-N 1 2 235.306 2.949 20 0 BFADLO c1[nH+]c(SCC2CCOCC2)n2ccccc12 ZINC000171860746 365248873 /nfs/dbraw/zinc/24/88/73/365248873.db2.gz YSWQNBNHUCNMKH-UHFFFAOYSA-N 1 2 248.351 2.853 20 0 BFADLO CCN(CC(C)(C)C)c1cc[nH+]c(C)n1 ZINC000575792510 365362363 /nfs/dbraw/zinc/36/23/63/365362363.db2.gz XSWBMCJEFFGTGZ-UHFFFAOYSA-N 1 2 207.321 2.657 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1ccncc1Cl ZINC000173783318 365447110 /nfs/dbraw/zinc/44/71/10/365447110.db2.gz XGIMKTVLTNOFNE-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1ccncc1Cl ZINC000173783318 365447112 /nfs/dbraw/zinc/44/71/12/365447112.db2.gz XGIMKTVLTNOFNE-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)c2cccnc2)cc[nH+]1 ZINC000174810113 365514948 /nfs/dbraw/zinc/51/49/48/365514948.db2.gz RGJNJFGFPISSGC-NSHDSACASA-N 1 2 241.294 2.527 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579603259 366902177 /nfs/dbraw/zinc/90/21/77/366902177.db2.gz NETCAFDMCWKHMZ-MNOVXSKESA-N 1 2 249.358 2.587 20 0 BFADLO CC(=O)Nc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000353622893 541484674 /nfs/dbraw/zinc/48/46/74/541484674.db2.gz PEZCEJJGKUFWST-VIFPVBQESA-N 1 2 244.298 2.541 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2cc(C)ccn2)on1 ZINC000579818920 367020771 /nfs/dbraw/zinc/02/07/71/367020771.db2.gz CPHNQCYJTGAQFU-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cccc(C)c1C)C(=O)OC ZINC000183727210 367044269 /nfs/dbraw/zinc/04/42/69/367044269.db2.gz RCQYRAMERRPZTD-TZMCWYRMSA-N 1 2 249.354 2.906 20 0 BFADLO CC(C)(NC(=O)[C@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000579847807 367046505 /nfs/dbraw/zinc/04/65/05/367046505.db2.gz GGAWTEYFIWSSRX-SNVBAGLBSA-N 1 2 249.358 2.587 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@H]1C=CCCC1)[C@@H](C)CC ZINC000183580742 367031360 /nfs/dbraw/zinc/03/13/60/367031360.db2.gz AMKAJJNQQQHIQS-RWMBFGLXSA-N 1 2 239.359 2.663 20 0 BFADLO COC[C@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000193890174 367223897 /nfs/dbraw/zinc/22/38/97/367223897.db2.gz YXDARYNSNFRKRJ-VIFPVBQESA-N 1 2 245.725 2.946 20 0 BFADLO COC[C@H](C)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000193890174 367223903 /nfs/dbraw/zinc/22/39/03/367223903.db2.gz YXDARYNSNFRKRJ-VIFPVBQESA-N 1 2 245.725 2.946 20 0 BFADLO COC[C@@H](C)[N@H+](C)Cc1c(F)cccc1Cl ZINC000193890186 367224389 /nfs/dbraw/zinc/22/43/89/367224389.db2.gz YXDARYNSNFRKRJ-SECBINFHSA-N 1 2 245.725 2.946 20 0 BFADLO COC[C@@H](C)[N@@H+](C)Cc1c(F)cccc1Cl ZINC000193890186 367224395 /nfs/dbraw/zinc/22/43/95/367224395.db2.gz YXDARYNSNFRKRJ-SECBINFHSA-N 1 2 245.725 2.946 20 0 BFADLO Cc1sccc1C[NH2+]CC(C)(F)F ZINC000382107050 367487321 /nfs/dbraw/zinc/48/73/21/367487321.db2.gz IUWMBYRCGBECAX-UHFFFAOYSA-N 1 2 205.273 2.801 20 0 BFADLO C[C@H](CC(C)(C)C)Nc1[nH+]cnc2c1cnn2C ZINC000384454409 367692844 /nfs/dbraw/zinc/69/28/44/367692844.db2.gz ASGMSNSHAGUELX-SECBINFHSA-N 1 2 247.346 2.600 20 0 BFADLO CCn1cccc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630955915 368149874 /nfs/dbraw/zinc/14/98/74/368149874.db2.gz HMFGXRNJDZIYIZ-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO C[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)C[C@H]1C ZINC000253060779 368420856 /nfs/dbraw/zinc/42/08/56/368420856.db2.gz DKHSEEGWEPGZPG-VXGBXAGGSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)C[C@H]1C ZINC000253060779 368420864 /nfs/dbraw/zinc/42/08/64/368420864.db2.gz DKHSEEGWEPGZPG-VXGBXAGGSA-N 1 2 249.329 2.986 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccccc1Cl ZINC000046773862 368450467 /nfs/dbraw/zinc/45/04/67/368450467.db2.gz QNBHDJHPZATMPA-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccccc1Cl ZINC000046773862 368450472 /nfs/dbraw/zinc/45/04/72/368450472.db2.gz QNBHDJHPZATMPA-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO CCn1cc[nH+]c1CN1CCCc2ccccc21 ZINC000060363427 368540960 /nfs/dbraw/zinc/54/09/60/368540960.db2.gz KSXUOERQVVRUHP-UHFFFAOYSA-N 1 2 241.338 2.856 20 0 BFADLO CCCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456398823 202940263 /nfs/dbraw/zinc/94/02/63/202940263.db2.gz UOZPYJNLSSCYCI-GHMZBOCLSA-N 1 2 235.331 2.585 20 0 BFADLO CCC(C)(C)CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456426902 202942626 /nfs/dbraw/zinc/94/26/26/202942626.db2.gz QTXMKZFEQYXCIO-GHMZBOCLSA-N 1 2 249.358 2.831 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2nc(C)no2)cc1 ZINC000063773976 368597237 /nfs/dbraw/zinc/59/72/37/368597237.db2.gz BYOXKFVPZZFCQG-SNVBAGLBSA-N 1 2 245.326 2.791 20 0 BFADLO CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066849837 368663001 /nfs/dbraw/zinc/66/30/01/368663001.db2.gz DZUDUJJMBHIZHU-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066849837 368663004 /nfs/dbraw/zinc/66/30/04/368663004.db2.gz DZUDUJJMBHIZHU-CYBMUJFWSA-N 1 2 241.281 2.748 20 0 BFADLO CN(CCOc1ccccc1)c1cccc[nH+]1 ZINC000067948997 368708476 /nfs/dbraw/zinc/70/84/76/368708476.db2.gz ZSQHDDVWCSBZRJ-UHFFFAOYSA-N 1 2 228.295 2.597 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)o1 ZINC000084225510 368852502 /nfs/dbraw/zinc/85/25/02/368852502.db2.gz FSOUFAHJRPXMEW-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO Cc1cccn2c(NC(=O)[C@H](C)C3CC3)c[nH+]c12 ZINC000619014698 368958106 /nfs/dbraw/zinc/95/81/06/368958106.db2.gz RNQDQIDSHCXQNG-SNVBAGLBSA-N 1 2 243.310 2.627 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H]2CCC2(C)C)c[nH+]1 ZINC000616116845 368960911 /nfs/dbraw/zinc/96/09/11/368960911.db2.gz WJTVZDBOFZUWQB-ZDUSSCGKSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H](C)C2CCC2)c[nH+]1 ZINC000457855944 203114302 /nfs/dbraw/zinc/11/43/02/203114302.db2.gz YMDMGFCUFMGZBX-GFCCVEGCSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cccn2c(NC(=O)C(C)(C)C)c[nH+]c12 ZINC000619011102 369256991 /nfs/dbraw/zinc/25/69/91/369256991.db2.gz POWDEJUKNZYMOA-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO Cc1cccn2c(NC(=O)C3CC=CC3)c[nH+]c12 ZINC000619013654 369257051 /nfs/dbraw/zinc/25/70/51/369257051.db2.gz UZCBNYWICMROPR-UHFFFAOYSA-N 1 2 241.294 2.547 20 0 BFADLO Cc1cccn2c(NC(=O)[C@H]3CC3(C)C)c[nH+]c12 ZINC000619014855 369258523 /nfs/dbraw/zinc/25/85/23/369258523.db2.gz VFDAOIYIIRQCTD-SNVBAGLBSA-N 1 2 243.310 2.627 20 0 BFADLO COC1C[NH+](Cc2ccc(C(C)(C)C)s2)C1 ZINC000459588298 203306250 /nfs/dbraw/zinc/30/62/50/203306250.db2.gz WLQYHTKLDCSIPW-UHFFFAOYSA-N 1 2 239.384 2.876 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccccc1N(C)C ZINC000623680070 369381785 /nfs/dbraw/zinc/38/17/85/369381785.db2.gz WJIGCPIDTKIVDW-UHFFFAOYSA-N 1 2 242.313 2.888 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1sccc1OC ZINC000623679901 369381799 /nfs/dbraw/zinc/38/17/99/369381799.db2.gz OSIZHHFWUGXEFQ-UHFFFAOYSA-N 1 2 235.299 2.892 20 0 BFADLO CCCCCOC1C[NH+](Cc2cccnc2C)C1 ZINC000459598334 203311747 /nfs/dbraw/zinc/31/17/47/203311747.db2.gz WQDPKRNWAFRGMT-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000623680532 369390482 /nfs/dbraw/zinc/39/04/82/369390482.db2.gz NWTDEJIBGZXQID-UHFFFAOYSA-N 1 2 247.260 2.969 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(OC)cc1 ZINC000623680702 369390686 /nfs/dbraw/zinc/39/06/86/369390686.db2.gz WBMGPEQUZFRVSP-UHFFFAOYSA-N 1 2 229.270 2.830 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccncc1C ZINC000623679198 369378484 /nfs/dbraw/zinc/37/84/84/369378484.db2.gz LVSFFGJAUXPBGH-UHFFFAOYSA-N 1 2 214.259 2.525 20 0 BFADLO CCCCOc1ccccc1C[NH+]1CC(OC)C1 ZINC000459574163 203305362 /nfs/dbraw/zinc/30/53/62/203305362.db2.gz CVBQJUOOFHTLSG-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCOC1C[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000459617437 203316075 /nfs/dbraw/zinc/31/60/75/203316075.db2.gz ZRUCTKHVURTEJL-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO CCCC[NH2+][C@@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000459624896 203321413 /nfs/dbraw/zinc/32/14/13/203321413.db2.gz ZDFJSDJGVIRVEH-CQSZACIVSA-N 1 2 249.354 2.907 20 0 BFADLO Cc1cc(C)cc(C[NH+]2CC(OC(F)F)C2)c1 ZINC000459634527 203326585 /nfs/dbraw/zinc/32/65/85/203326585.db2.gz XJIGOZXDLCITOA-UHFFFAOYSA-N 1 2 241.281 2.727 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1F ZINC000459754331 203356550 /nfs/dbraw/zinc/35/65/50/203356550.db2.gz JJINLOWSCAYFLJ-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO C[C@H](c1ccccc1F)N(C)Cc1[nH]cc[nH+]1 ZINC000109831403 369544421 /nfs/dbraw/zinc/54/44/21/369544421.db2.gz LCKDDXWROOIBRS-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO CCCC[C@@H](C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000568070329 326303797 /nfs/dbraw/zinc/30/37/97/326303797.db2.gz MJWYNCHHOGBKJT-SNVBAGLBSA-N 1 2 237.347 2.587 20 0 BFADLO CCc1cc(NCc2ccsc2)nc[nH+]1 ZINC000063153145 370136347 /nfs/dbraw/zinc/13/63/47/370136347.db2.gz CCNFLZIXYIEELM-UHFFFAOYSA-N 1 2 219.313 2.713 20 0 BFADLO CC(C)(C)c1nc(CNc2c[nH]c[nH+]2)cs1 ZINC000309689220 370243529 /nfs/dbraw/zinc/24/35/29/370243529.db2.gz PBGMAKAXVDDVBW-UHFFFAOYSA-N 1 2 236.344 2.776 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H]1C1CC1 ZINC000309844539 370268675 /nfs/dbraw/zinc/26/86/75/370268675.db2.gz FYANTUSKSDGOLY-WDEREUQCSA-N 1 2 218.300 2.691 20 0 BFADLO CCCc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)s1 ZINC000621728988 370482378 /nfs/dbraw/zinc/48/23/78/370482378.db2.gz FHDGSZHSXKBQJU-OLZOCXBDSA-N 1 2 237.368 2.674 20 0 BFADLO CCCc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)s1 ZINC000621728988 370482382 /nfs/dbraw/zinc/48/23/82/370482382.db2.gz FHDGSZHSXKBQJU-OLZOCXBDSA-N 1 2 237.368 2.674 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000114510453 370570405 /nfs/dbraw/zinc/57/04/05/370570405.db2.gz IQZQHZCQWGUITR-UHFFFAOYSA-N 1 2 234.299 2.989 20 0 BFADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nccs1 ZINC000078679656 370588683 /nfs/dbraw/zinc/58/86/83/370588683.db2.gz DOZMMMDNRNUVKS-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000389910098 371180356 /nfs/dbraw/zinc/18/03/56/371180356.db2.gz JGJMHAQGWYVUME-YUMQZZPRSA-N 1 2 244.241 2.899 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000389910089 371180979 /nfs/dbraw/zinc/18/09/79/371180979.db2.gz JGJMHAQGWYVUME-SFYZADRCSA-N 1 2 244.241 2.899 20 0 BFADLO CCCCc1cc(N[C@H]2CCC[C@@H](O)C2)nc[nH+]1 ZINC000631066590 371267108 /nfs/dbraw/zinc/26/71/08/371267108.db2.gz HRLWGRAEAXJUJX-QWHCGFSZSA-N 1 2 249.358 2.535 20 0 BFADLO O[C@@H]1CCC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC000631066737 371267157 /nfs/dbraw/zinc/26/71/57/371267157.db2.gz MVNUDEDOVOKPHK-UONOGXRCSA-N 1 2 242.322 2.950 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NCC(F)(F)CC ZINC000624148742 371345425 /nfs/dbraw/zinc/34/54/25/371345425.db2.gz MRIMSTYFWLPNCT-VIFPVBQESA-N 1 2 231.290 2.599 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)CC(F)F ZINC000624327479 371479747 /nfs/dbraw/zinc/47/97/47/371479747.db2.gz DGEJHGYGLGMTEF-MRVPVSSYSA-N 1 2 230.258 2.793 20 0 BFADLO COc1ccc[nH+]c1NCC[C@@H]1CC1(F)F ZINC000624413340 371502988 /nfs/dbraw/zinc/50/29/88/371502988.db2.gz CNZGVXOENKNHMD-MRVPVSSYSA-N 1 2 228.242 2.547 20 0 BFADLO CCC(F)(F)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000624560363 371541771 /nfs/dbraw/zinc/54/17/71/371541771.db2.gz ASDUABRRUQUFEV-UHFFFAOYSA-N 1 2 243.301 2.653 20 0 BFADLO COc1ccc[nH+]c1NCCC(C)(C)F ZINC000624397930 371499071 /nfs/dbraw/zinc/49/90/71/371499071.db2.gz PGEXOHWIZGFOSI-UHFFFAOYSA-N 1 2 212.268 2.640 20 0 BFADLO Cc1scc(C[NH2+]Cc2ccon2)c1C ZINC000631081879 371576944 /nfs/dbraw/zinc/57/69/44/371576944.db2.gz DTGSENGGLBMLQJ-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CCC(CC)(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627368728 371586230 /nfs/dbraw/zinc/58/62/30/371586230.db2.gz BHEPBTGRNUFBSD-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CCC(CC)(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627368728 371586231 /nfs/dbraw/zinc/58/62/31/371586231.db2.gz BHEPBTGRNUFBSD-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CCC[C@](C)(CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000627371398 371590051 /nfs/dbraw/zinc/59/00/51/371590051.db2.gz DBTGCMGGDATPQU-AWEZNQCLSA-N 1 2 249.358 2.511 20 0 BFADLO CCC[C@](C)(CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000627371398 371590056 /nfs/dbraw/zinc/59/00/56/371590056.db2.gz DBTGCMGGDATPQU-AWEZNQCLSA-N 1 2 249.358 2.511 20 0 BFADLO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162699295 371822042 /nfs/dbraw/zinc/82/20/42/371822042.db2.gz LRCCETOWGAAOOG-SKDRFNHKSA-N 1 2 241.294 2.671 20 0 BFADLO CCn1ccc(C[NH2+]Cc2ccc(C)cc2F)n1 ZINC000631160105 372212032 /nfs/dbraw/zinc/21/20/32/372212032.db2.gz BMCZJNLKDATOKR-UHFFFAOYSA-N 1 2 247.317 2.640 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)on1 ZINC000631163974 372214068 /nfs/dbraw/zinc/21/40/68/372214068.db2.gz WFTJVFBVDBMKNS-KGLIPLIRSA-N 1 2 246.285 2.710 20 0 BFADLO CCCCc1cc(N[C@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000631188438 372223059 /nfs/dbraw/zinc/22/30/59/372223059.db2.gz ASUBIRDFLDMQEN-YPMHNXCESA-N 1 2 249.358 2.799 20 0 BFADLO CCCCc1cc(N[C@@H]2CCCOCC2)nc[nH+]1 ZINC000631194477 372226133 /nfs/dbraw/zinc/22/61/33/372226133.db2.gz LQRRNCRKNRVRPM-GFCCVEGCSA-N 1 2 249.358 2.800 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)CO1 ZINC000631329533 372298815 /nfs/dbraw/zinc/29/88/15/372298815.db2.gz PLSVFIHXZCHOJA-ZWNOBZJWSA-N 1 2 228.295 2.824 20 0 BFADLO CO[C@@H](C)CNc1cc2ccccc2c[nH+]1 ZINC000631240216 372255630 /nfs/dbraw/zinc/25/56/30/372255630.db2.gz HZCVWEBDXNHKTO-JTQLQIEISA-N 1 2 216.284 2.682 20 0 BFADLO OC[C@H](Nc1cc2ccccc2c[nH+]1)C1CCC1 ZINC000631351249 372308549 /nfs/dbraw/zinc/30/85/49/372308549.db2.gz MHMZOBDBZZJHFQ-AWEZNQCLSA-N 1 2 242.322 2.808 20 0 BFADLO CCc1cc(N[C@@]23C[C@@H]2CCCC3)nc[nH+]1 ZINC000631474823 372383902 /nfs/dbraw/zinc/38/39/02/372383902.db2.gz GRKKBPYWTPDVNE-GWCFXTLKSA-N 1 2 217.316 2.784 20 0 BFADLO Cc1cc(N[C@@]23C[C@@H]2CCCC3)nc[nH+]1 ZINC000631477301 372385022 /nfs/dbraw/zinc/38/50/22/372385022.db2.gz ZPMNNTCZKWUOSD-JQWIXIFHSA-N 1 2 203.289 2.530 20 0 BFADLO c1ccc(NCc2cccc3c2CCOC3)[nH+]c1 ZINC000631511370 372401422 /nfs/dbraw/zinc/40/14/22/372401422.db2.gz WSDFOLWAAAOBNT-UHFFFAOYSA-N 1 2 240.306 2.766 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccn(C)n1 ZINC000631730589 372535407 /nfs/dbraw/zinc/53/54/07/372535407.db2.gz YPACSLHNLOQOFT-GFCCVEGCSA-N 1 2 233.315 2.562 20 0 BFADLO CC(C)[N@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189573448 259556700 /nfs/dbraw/zinc/55/67/00/259556700.db2.gz DMKIYTPNMRRBGV-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)[N@@H+](CC[C@H]1CCCO1)CC(F)F ZINC000189573448 259556701 /nfs/dbraw/zinc/55/67/01/259556701.db2.gz DMKIYTPNMRRBGV-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO COc1ccc(CCC[N@H+](C)CC(F)F)cc1 ZINC000171990944 372847602 /nfs/dbraw/zinc/84/76/02/372847602.db2.gz BGXXCDLZVNXLCN-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO COc1ccc(CCC[N@@H+](C)CC(F)F)cc1 ZINC000171990944 372847611 /nfs/dbraw/zinc/84/76/11/372847611.db2.gz BGXXCDLZVNXLCN-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO O=C(C[C@H]1C=CCC1)Nc1cccc2[nH+]ccn21 ZINC000266141197 182025004 /nfs/dbraw/zinc/02/50/04/182025004.db2.gz HDURVDVVFNYBII-NSHDSACASA-N 1 2 241.294 2.629 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccon1 ZINC000172908680 373105659 /nfs/dbraw/zinc/10/56/59/373105659.db2.gz RRHSUISAWBTQMS-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccon1 ZINC000172908680 373105662 /nfs/dbraw/zinc/10/56/62/373105662.db2.gz RRHSUISAWBTQMS-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)s1 ZINC000633169983 373319625 /nfs/dbraw/zinc/31/96/25/373319625.db2.gz HCYBZQMIMWMNMX-SECBINFHSA-N 1 2 249.339 2.579 20 0 BFADLO Cc1sccc1NC(=O)CCCn1cc[nH+]c1 ZINC000634213613 374030826 /nfs/dbraw/zinc/03/08/26/374030826.db2.gz MSAUZIIMQKCFDY-UHFFFAOYSA-N 1 2 249.339 2.672 20 0 BFADLO Cc1sccc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000634215226 374033388 /nfs/dbraw/zinc/03/33/88/374033388.db2.gz DCGAOZPUSAAXPP-UHFFFAOYSA-N 1 2 249.339 2.696 20 0 BFADLO Cc1sccc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000634215226 374033399 /nfs/dbraw/zinc/03/33/99/374033399.db2.gz DCGAOZPUSAAXPP-UHFFFAOYSA-N 1 2 249.339 2.696 20 0 BFADLO C[C@H](CC1CCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000634372418 374222810 /nfs/dbraw/zinc/22/28/10/374222810.db2.gz PUOYRFXHOIGSIU-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(N2CCCC3(CCCC3)C2)nc[nH+]1 ZINC000445669852 206086085 /nfs/dbraw/zinc/08/60/85/206086085.db2.gz INWRAQPERAHGDC-UHFFFAOYSA-N 1 2 231.343 2.946 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000459540504 206133622 /nfs/dbraw/zinc/13/36/22/206133622.db2.gz DYWZJKPVAYKSCN-UHFFFAOYSA-N 1 2 225.282 2.920 20 0 BFADLO CCOCC[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000119721776 170391557 /nfs/dbraw/zinc/39/15/57/170391557.db2.gz MVMSPCWROCLQPX-JTQLQIEISA-N 1 2 243.297 2.994 20 0 BFADLO OCC1(Nc2ccc3ccccc3[nH+]2)CCC1 ZINC000158816912 183039700 /nfs/dbraw/zinc/03/97/00/183039700.db2.gz NYZUXISKCQSRIH-UHFFFAOYSA-N 1 2 228.295 2.562 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@H](CC)C2)no1 ZINC000125157157 169025977 /nfs/dbraw/zinc/02/59/77/169025977.db2.gz ZNVZAZSWDGYLDE-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@H](CC)C2)no1 ZINC000125157157 169025981 /nfs/dbraw/zinc/02/59/81/169025981.db2.gz ZNVZAZSWDGYLDE-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC(C)=C(C)C2)no1 ZINC000280505603 169026253 /nfs/dbraw/zinc/02/62/53/169026253.db2.gz CPCDODNWTBPWAE-UHFFFAOYSA-N 1 2 249.358 2.954 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC(C)=C(C)C2)no1 ZINC000280505603 169026256 /nfs/dbraw/zinc/02/62/56/169026256.db2.gz CPCDODNWTBPWAE-UHFFFAOYSA-N 1 2 249.358 2.954 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC3CCC2CC3)no1 ZINC000371393688 169026435 /nfs/dbraw/zinc/02/64/35/169026435.db2.gz RTUKTXYGXIAPSO-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CC3CCC2CC3)no1 ZINC000371393688 169026437 /nfs/dbraw/zinc/02/64/37/169026437.db2.gz RTUKTXYGXIAPSO-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO CCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301115243 169088623 /nfs/dbraw/zinc/08/86/23/169088623.db2.gz UBPVDGFEKWCSRA-UHFFFAOYSA-N 1 2 207.321 2.755 20 0 BFADLO CCCN(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290783728 169115414 /nfs/dbraw/zinc/11/54/14/169115414.db2.gz UCFXKLCFHJZECM-UHFFFAOYSA-N 1 2 246.314 2.598 20 0 BFADLO O[C@H]1CCCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000052007097 183234188 /nfs/dbraw/zinc/23/41/88/183234188.db2.gz SQWGGWGHOMVZFQ-KGLIPLIRSA-N 1 2 242.322 2.950 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H](O)CCC(C)C ZINC000361270950 169108243 /nfs/dbraw/zinc/10/82/43/169108243.db2.gz DWKNACDXLPAJRV-LLVKDONJSA-N 1 2 237.334 2.761 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H](O)CCC(C)C ZINC000361270950 169108246 /nfs/dbraw/zinc/10/82/46/169108246.db2.gz DWKNACDXLPAJRV-LLVKDONJSA-N 1 2 237.334 2.761 20 0 BFADLO CCC[N@@H+](Cc1ccc(CO)cc1)CC(F)F ZINC000272285899 169175761 /nfs/dbraw/zinc/17/57/61/169175761.db2.gz GJNGUNUMEFVDKD-UHFFFAOYSA-N 1 2 243.297 2.656 20 0 BFADLO CCC[N@H+](Cc1ccc(CO)cc1)CC(F)F ZINC000272285899 169175763 /nfs/dbraw/zinc/17/57/63/169175763.db2.gz GJNGUNUMEFVDKD-UHFFFAOYSA-N 1 2 243.297 2.656 20 0 BFADLO CCC[N@H+](CCN1CCCC1)Cc1ccco1 ZINC000270672429 169159988 /nfs/dbraw/zinc/15/99/88/169159988.db2.gz XLFUFMSRDPFRQU-UHFFFAOYSA-N 1 2 236.359 2.587 20 0 BFADLO CCC[N@@H+](CCN1CCCC1)Cc1ccco1 ZINC000270672429 169159991 /nfs/dbraw/zinc/15/99/91/169159991.db2.gz XLFUFMSRDPFRQU-UHFFFAOYSA-N 1 2 236.359 2.587 20 0 BFADLO CCC[N@H+](CCc1scnc1C)CC(F)F ZINC000172530989 169171063 /nfs/dbraw/zinc/17/10/63/169171063.db2.gz HZSJKGWXLHBAPU-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO CCC[N@@H+](CCc1scnc1C)CC(F)F ZINC000172530989 169171065 /nfs/dbraw/zinc/17/10/65/169171065.db2.gz HZSJKGWXLHBAPU-UHFFFAOYSA-N 1 2 248.342 2.971 20 0 BFADLO CCCN(c1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000302827920 169182793 /nfs/dbraw/zinc/18/27/93/169182793.db2.gz NWTNCBVMGSDEEX-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CCCN(c1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000302827920 169182795 /nfs/dbraw/zinc/18/27/95/169182795.db2.gz NWTNCBVMGSDEEX-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000023253425 169203657 /nfs/dbraw/zinc/20/36/57/169203657.db2.gz RQAWHZBSJGEXHB-UHFFFAOYSA-N 1 2 232.371 2.523 20 0 BFADLO c1cc(N[C@@H]2C[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000309390685 183359303 /nfs/dbraw/zinc/35/93/03/183359303.db2.gz UIYFUKDLAGPWLI-WDEREUQCSA-N 1 2 215.300 2.564 20 0 BFADLO c1cc(OCCc2ccc3c(c2)CCO3)cc[nH+]1 ZINC000292567387 183359360 /nfs/dbraw/zinc/35/93/60/183359360.db2.gz YSNGPLPJBOESPI-UHFFFAOYSA-N 1 2 241.290 2.638 20 0 BFADLO c1c[nH+]c(CNc2cccc3cnccc32)[nH]1 ZINC000049714962 183359032 /nfs/dbraw/zinc/35/90/32/183359032.db2.gz UWBLUEWXMHHHAS-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO c1cc([NH2+]C2CCCC2)cc2c1OCC2 ZINC000037103649 183369751 /nfs/dbraw/zinc/36/97/51/183369751.db2.gz MGGOUEDYTRGGLP-UHFFFAOYSA-N 1 2 203.285 2.976 20 0 BFADLO c1cc2[nH+]ccc(N3CC[C@H](C4CC4)C3)c2cn1 ZINC000336546747 183376904 /nfs/dbraw/zinc/37/69/04/183376904.db2.gz DVVFTYRBSCWTJW-LBPRGKRZSA-N 1 2 239.322 2.866 20 0 BFADLO c1cc2[nH+]ccc(N3C[C@@H]4CCC[C@H]4C3)c2cn1 ZINC000268275343 183377196 /nfs/dbraw/zinc/37/71/96/183377196.db2.gz VBJHMEPUGLWBMP-RYUDHWBXSA-N 1 2 239.322 2.866 20 0 BFADLO c1ncc(C[N@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC000179925190 183397109 /nfs/dbraw/zinc/39/71/09/183397109.db2.gz VIGVPOQMGDFJOU-UHFFFAOYSA-N 1 2 227.311 2.574 20 0 BFADLO c1ncc(C[N@@H+](Cc2ccccc2)C2CC2)[nH]1 ZINC000179925190 183397111 /nfs/dbraw/zinc/39/71/11/183397111.db2.gz VIGVPOQMGDFJOU-UHFFFAOYSA-N 1 2 227.311 2.574 20 0 BFADLO CCCSCc1cn2ccccc2[nH+]1 ZINC000176897987 169339709 /nfs/dbraw/zinc/33/97/09/169339709.db2.gz MJCCYUZSHCXSKV-UHFFFAOYSA-N 1 2 206.314 2.978 20 0 BFADLO CCCSCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119190258 169338403 /nfs/dbraw/zinc/33/84/03/169338403.db2.gz DSYIPEUIGKGVCP-UHFFFAOYSA-N 1 2 238.356 2.780 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000357133039 169349507 /nfs/dbraw/zinc/34/95/07/169349507.db2.gz MQUCOLOFORWCGD-MNOVXSKESA-N 1 2 235.331 2.509 20 0 BFADLO CCC[C@@H](CC)NC(=O)c1ccc2[nH+]ccn2c1 ZINC000171164558 169378522 /nfs/dbraw/zinc/37/85/22/169378522.db2.gz QHGZWWYAPGEQOQ-GFCCVEGCSA-N 1 2 245.326 2.643 20 0 BFADLO Cc1ccc2c(c1)N(Cc1[nH+]ccn1C)CCC2 ZINC000111262028 383845904 /nfs/dbraw/zinc/84/59/04/383845904.db2.gz DJSSWLBEVPMKFM-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000111410657 383860997 /nfs/dbraw/zinc/86/09/97/383860997.db2.gz LDPDDVVCGGFSDI-ZUZCIYMTSA-N 1 2 241.338 2.741 20 0 BFADLO CCc1cccc(NCc2[nH+]ccn2C)c1 ZINC000036804597 383910254 /nfs/dbraw/zinc/91/02/54/383910254.db2.gz CXZMRDHCUHOABE-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO Cc1cc(NCc2c[nH+]c3ccc(C)cn23)no1 ZINC000097045250 383927991 /nfs/dbraw/zinc/92/79/91/383927991.db2.gz WWWXAMVMZLCDAG-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO c1snnc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037075408 383934084 /nfs/dbraw/zinc/93/40/84/383934084.db2.gz AQUYIZNITPMHAV-CYBMUJFWSA-N 1 2 245.351 2.779 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)C(F)F ZINC000449362603 383989375 /nfs/dbraw/zinc/98/93/75/383989375.db2.gz NMPYJSZYOQHXMA-NSHDSACASA-N 1 2 247.260 2.968 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC(C)(C)C[C@H]2C)c[nH+]1 ZINC000407998370 383992335 /nfs/dbraw/zinc/99/23/35/383992335.db2.gz QZMWLJCRWJJFLG-KOLCDFICSA-N 1 2 249.358 2.663 20 0 BFADLO CC[C@H](O)[C@H](CC)Nc1[nH+]c2ccccc2n1C ZINC000313176122 383994619 /nfs/dbraw/zinc/99/46/19/383994619.db2.gz ZEZIRBPERAWCGQ-GWCFXTLKSA-N 1 2 247.342 2.535 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccc(O)c1)C(F)F ZINC000449365648 383997067 /nfs/dbraw/zinc/99/70/67/383997067.db2.gz WRQMUDUHEYLGAX-SNVBAGLBSA-N 1 2 215.243 2.526 20 0 BFADLO CCOc1cc(F)ccc1NCc1c[nH+]cn1C ZINC000090166108 384033055 /nfs/dbraw/zinc/03/30/55/384033055.db2.gz KWKOSRKCVIKIPC-UHFFFAOYSA-N 1 2 249.289 2.570 20 0 BFADLO c1cn(CCSCCOc2ccccc2)c[nH+]1 ZINC000090199334 384036795 /nfs/dbraw/zinc/03/67/95/384036795.db2.gz IYFBOCRGYRKSHI-UHFFFAOYSA-N 1 2 248.351 2.695 20 0 BFADLO Cc1ccc(OCc2c[nH+]cn2C)c(C)c1 ZINC000090233699 384039678 /nfs/dbraw/zinc/03/96/78/384039678.db2.gz UNYVMCDOOPIBQI-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO Cc1ccc(F)cc1C[NH2+]C(CF)CF ZINC000449380967 384097260 /nfs/dbraw/zinc/09/72/60/384097260.db2.gz PSHVDJQKGIPKKK-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1nccs1 ZINC000070621422 384123779 /nfs/dbraw/zinc/12/37/79/384123779.db2.gz ULVKCUDVWIORQB-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO CC[C@@H](Cc1ccccc1)[NH2+]C(C)(C)C(=O)OC ZINC000116384528 384130721 /nfs/dbraw/zinc/13/07/21/384130721.db2.gz XNJNDCRXIBEUCQ-ZDUSSCGKSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)/C=C/C(C)(C)C ZINC000116755773 384151884 /nfs/dbraw/zinc/15/18/84/384151884.db2.gz QADAUFIXNQIJFG-FNORWQNLSA-N 1 2 218.300 2.931 20 0 BFADLO Cc1cc(C)c(Cn2cc[nH+]c2)c(C)c1 ZINC000032170235 384202160 /nfs/dbraw/zinc/20/21/60/384202160.db2.gz UWBLHMYGSPCMLF-UHFFFAOYSA-N 1 2 200.285 2.857 20 0 BFADLO c1[nH]cc(NCc2ccnc3ccccc23)[nH+]1 ZINC000558574823 384189035 /nfs/dbraw/zinc/18/90/35/384189035.db2.gz CUGUEYVKIFRDIW-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO C[C@H]1SCCN(c2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000118385713 384198999 /nfs/dbraw/zinc/19/89/99/384198999.db2.gz IBWFWROVLIDZJQ-VHSXEESVSA-N 1 2 249.383 2.684 20 0 BFADLO CC(C)=CC(=O)Nc1ccc(C)[nH+]c1C ZINC000119071580 384230127 /nfs/dbraw/zinc/23/01/27/384230127.db2.gz UKXLGSFYRZLGAE-UHFFFAOYSA-N 1 2 204.273 2.603 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCC[C@@H](C)C2)no1 ZINC000359532767 384237931 /nfs/dbraw/zinc/23/79/31/384237931.db2.gz UQNWZKKOOPAQJX-PWSUYJOCSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCC[C@@H](C)C2)no1 ZINC000359532767 384237934 /nfs/dbraw/zinc/23/79/34/384237934.db2.gz UQNWZKKOOPAQJX-PWSUYJOCSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000119166413 384242695 /nfs/dbraw/zinc/24/26/95/384242695.db2.gz NZPJEFOUPVIQCK-LBPRGKRZSA-N 1 2 230.311 2.993 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1nccs1 ZINC000093582656 384249765 /nfs/dbraw/zinc/24/97/65/384249765.db2.gz HQJLTGADXPHTGS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1nccs1 ZINC000093582656 384249775 /nfs/dbraw/zinc/24/97/75/384249775.db2.gz HQJLTGADXPHTGS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(NC(=O)C[C@H]2C=CCC2)c(C)[nH+]1 ZINC000119255213 384251386 /nfs/dbraw/zinc/25/13/86/384251386.db2.gz BVRVAEPYEWKTNO-LBPRGKRZSA-N 1 2 230.311 2.993 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2cocn2)CC1 ZINC000647224760 384277339 /nfs/dbraw/zinc/27/73/39/384277339.db2.gz XXVXAKCZCALLAW-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119334513 384262025 /nfs/dbraw/zinc/26/20/25/384262025.db2.gz NPYIGEOXUWDECP-MRVPVSSYSA-N 1 2 206.289 2.683 20 0 BFADLO Cc1nc(N2CCC[C@@H]2CF)c2c([nH+]1)CCCC2 ZINC000292675653 384265118 /nfs/dbraw/zinc/26/51/18/384265118.db2.gz DJTDMJWWXDMFNN-LLVKDONJSA-N 1 2 249.333 2.602 20 0 BFADLO CCCc1cccc(C[N@H+](C)[C@H](C)C(=O)OC)c1 ZINC000361183138 384269701 /nfs/dbraw/zinc/26/97/01/384269701.db2.gz OJUJOWWITLYZQT-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCCc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC)c1 ZINC000361183138 384269705 /nfs/dbraw/zinc/26/97/05/384269705.db2.gz OJUJOWWITLYZQT-GFCCVEGCSA-N 1 2 249.354 2.632 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)Cc1cn[nH]c1C ZINC000093871099 384275301 /nfs/dbraw/zinc/27/53/01/384275301.db2.gz LIJFILYDESVXTA-JTQLQIEISA-N 1 2 241.404 2.682 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)Cc1cn[nH]c1C ZINC000093871099 384275303 /nfs/dbraw/zinc/27/53/03/384275303.db2.gz LIJFILYDESVXTA-JTQLQIEISA-N 1 2 241.404 2.682 20 0 BFADLO COC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccco1 ZINC000159287111 384316870 /nfs/dbraw/zinc/31/68/70/384316870.db2.gz CVOARDCXQMKFIJ-DGCLKSJQSA-N 1 2 246.310 2.713 20 0 BFADLO FC(F)C[NH2+]Cc1cc2ccccc2o1 ZINC000147325678 384287244 /nfs/dbraw/zinc/28/72/44/384287244.db2.gz ZEZDTKYDBHCISA-UHFFFAOYSA-N 1 2 211.211 2.788 20 0 BFADLO CCN(CC)c1ccc(N[C@H]2CCO[C@H]2C)c[nH+]1 ZINC000134125972 384335458 /nfs/dbraw/zinc/33/54/58/384335458.db2.gz SFTKLQUOFGFPCA-AAEUAGOBSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1ccc([N@H+](C)CC[C@H]2CCOC2=O)c(C)c1 ZINC000120211593 384337717 /nfs/dbraw/zinc/33/77/17/384337717.db2.gz ULKQHGHNZDVYGU-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1ccc([N@@H+](C)CC[C@H]2CCOC2=O)c(C)c1 ZINC000120211593 384337719 /nfs/dbraw/zinc/33/77/19/384337719.db2.gz ULKQHGHNZDVYGU-ZDUSSCGKSA-N 1 2 247.338 2.693 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000120291310 384342782 /nfs/dbraw/zinc/34/27/82/384342782.db2.gz XMWWLIBSVYMOGJ-QWRGUYRKSA-N 1 2 247.342 2.900 20 0 BFADLO CO[C@H](C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000224316748 384361335 /nfs/dbraw/zinc/36/13/35/384361335.db2.gz QCJFHPHEIMHYKF-SSDOTTSWSA-N 1 2 234.221 2.547 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCCC(C)C ZINC000121120862 384398483 /nfs/dbraw/zinc/39/84/83/384398483.db2.gz WOXNZQMBSVYCDQ-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO CC[C@@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000121095595 384398791 /nfs/dbraw/zinc/39/87/91/384398791.db2.gz BHFWESJEBOVKIV-SNVBAGLBSA-N 1 2 221.304 2.652 20 0 BFADLO CCC[C@H](C)Sc1nc(N)cc(CC)[nH+]1 ZINC000308851064 384402961 /nfs/dbraw/zinc/40/29/61/384402961.db2.gz RGUYTBKGPHUHGJ-QMMMGPOBSA-N 1 2 225.361 2.902 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2nnc(C)s2)o1 ZINC000135000893 384407208 /nfs/dbraw/zinc/40/72/08/384407208.db2.gz WUDFFLBMWUXVIX-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Clc1cccc(C2([NH2+]Cc3ncc[nH]3)CC2)c1 ZINC000077467869 384408471 /nfs/dbraw/zinc/40/84/71/384408471.db2.gz YKKFIPYKUQBUGY-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO CCS[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000224438545 384410139 /nfs/dbraw/zinc/41/01/39/384410139.db2.gz BIYQFYOXRTWGOR-QWRGUYRKSA-N 1 2 237.372 2.871 20 0 BFADLO CCN(CCc1cccs1)c1cc(C)[nH+]cn1 ZINC000359034454 384447053 /nfs/dbraw/zinc/44/70/53/384447053.db2.gz YWPWWTBHUOIUON-UHFFFAOYSA-N 1 2 247.367 2.916 20 0 BFADLO CCCC[NH2+][C@H](Cc1ccccc1)C(=O)OCC ZINC000187338736 384441870 /nfs/dbraw/zinc/44/18/70/384441870.db2.gz JVFITOYMSZLLKQ-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO Cc1cc(C)cc(NCc2c[nH+]cn2C)c1 ZINC000078779902 384464986 /nfs/dbraw/zinc/46/49/86/384464986.db2.gz LRXKSLYYBDLRKX-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1F ZINC000148728996 384466882 /nfs/dbraw/zinc/46/68/82/384466882.db2.gz JIQPBDZIKYNORG-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(C1CC1)C1CC1 ZINC000122335570 384474642 /nfs/dbraw/zinc/47/46/42/384474642.db2.gz ZJVLOOUEUMUXFH-UHFFFAOYSA-N 1 2 230.311 2.765 20 0 BFADLO c1csc(C[N@H+](Cc2ccon2)C2CC2)c1 ZINC000122712072 384506703 /nfs/dbraw/zinc/50/67/03/384506703.db2.gz PGAKFIHCRBMFTJ-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1csc(C[N@@H+](Cc2ccon2)C2CC2)c1 ZINC000122712072 384506706 /nfs/dbraw/zinc/50/67/06/384506706.db2.gz PGAKFIHCRBMFTJ-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO C[C@@H]1CCN(c2cccc[nH+]2)CC1(F)F ZINC000336098268 384487677 /nfs/dbraw/zinc/48/76/77/384487677.db2.gz FMHANXILNJAUTD-SECBINFHSA-N 1 2 212.243 2.563 20 0 BFADLO c1[nH]cc(N[C@@H]2CCCC23CCCC3)[nH+]1 ZINC000556853735 384531190 /nfs/dbraw/zinc/53/11/90/384531190.db2.gz KHFPGAYKTNKLOG-SNVBAGLBSA-N 1 2 205.305 2.935 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000049370664 384533675 /nfs/dbraw/zinc/53/36/75/384533675.db2.gz YPDKZNQVXXXEFH-BXUZGUMPSA-N 1 2 247.338 2.679 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(F)c(F)c1 ZINC000049714958 384561440 /nfs/dbraw/zinc/56/14/40/384561440.db2.gz LSAQGFCPWKKSDK-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1ccc(F)cc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000097849492 384568678 /nfs/dbraw/zinc/56/86/78/384568678.db2.gz WVBKKLLYIAAAHL-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(F)cc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000097849492 384568687 /nfs/dbraw/zinc/56/86/87/384568687.db2.gz WVBKKLLYIAAAHL-NSHDSACASA-N 1 2 235.302 2.545 20 0 BFADLO Cc1cc[nH+]c(N[C@H]2CCOC[C@H]2C)c1Cl ZINC000309733396 384571960 /nfs/dbraw/zinc/57/19/60/384571960.db2.gz BRASKKPKXMFEDX-ZJUUUORDSA-N 1 2 240.734 2.880 20 0 BFADLO Cc1cc(C)cc(COCc2[nH]cc[nH+]2)c1 ZINC000123708509 384577930 /nfs/dbraw/zinc/57/79/30/384577930.db2.gz KMCOSOMJVBDNQT-UHFFFAOYSA-N 1 2 216.284 2.743 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000331045287 384582330 /nfs/dbraw/zinc/58/23/30/384582330.db2.gz TVECIMUDQOLGGA-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000097988454 384582401 /nfs/dbraw/zinc/58/24/01/384582401.db2.gz VXXHYHVEVNBICO-NEPJUHHUSA-N 1 2 235.327 2.516 20 0 BFADLO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccco1 ZINC000162183523 384586626 /nfs/dbraw/zinc/58/66/26/384586626.db2.gz OYEHGKARYFNYKX-UHFFFAOYSA-N 1 2 247.342 2.863 20 0 BFADLO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccco1 ZINC000162183523 384586633 /nfs/dbraw/zinc/58/66/33/384586633.db2.gz OYEHGKARYFNYKX-UHFFFAOYSA-N 1 2 247.342 2.863 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccon1 ZINC000309737613 384565491 /nfs/dbraw/zinc/56/54/91/384565491.db2.gz CSJWPNFRHFAZHI-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO C[NH+](C)c1ccc(NC[C@@H]2CCC=CO2)cc1 ZINC000050267978 384611458 /nfs/dbraw/zinc/61/14/58/384611458.db2.gz NNHSTKWCFNUNAD-AWEZNQCLSA-N 1 2 232.327 2.857 20 0 BFADLO CCC[C@H](CCO)CNc1cc[nH+]c(C2CC2)n1 ZINC000172809141 384626883 /nfs/dbraw/zinc/62/68/83/384626883.db2.gz CNAOKBJPXXXUPE-LLVKDONJSA-N 1 2 249.358 2.565 20 0 BFADLO Cc1cc(C)c(NC(=O)c2cscn2)c(C)[nH+]1 ZINC000102982818 384592549 /nfs/dbraw/zinc/59/25/49/384592549.db2.gz ZGOBQNANJUEEEC-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1cc2n(n1)CCCC2 ZINC000647280355 384665506 /nfs/dbraw/zinc/66/55/06/384665506.db2.gz ICDGHLSUEZXVMB-NSHDSACASA-N 1 2 245.326 2.663 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1CCC1)c1ccccc1C ZINC000184990207 384669149 /nfs/dbraw/zinc/66/91/49/384669149.db2.gz LPXOUSIHSVCWLE-AWEZNQCLSA-N 1 2 247.338 2.599 20 0 BFADLO c1nc(C[NH+]2CC3(C2)CCCCC3)cs1 ZINC000297358050 384653007 /nfs/dbraw/zinc/65/30/07/384653007.db2.gz GNTPJTIEPYGAJF-UHFFFAOYSA-N 1 2 222.357 2.909 20 0 BFADLO c1csc(C[NH2+][C@H]2CCCc3occc32)n1 ZINC000082394202 384677704 /nfs/dbraw/zinc/67/77/04/384677704.db2.gz PCXGDTSEUYRNTA-JTQLQIEISA-N 1 2 234.324 2.903 20 0 BFADLO C[C@H]([NH2+]Cc1ccoc1)c1cc2n(n1)CCCC2 ZINC000647284193 384726210 /nfs/dbraw/zinc/72/62/10/384726210.db2.gz HEGBOIMFGMJDHU-NSHDSACASA-N 1 2 245.326 2.663 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1cc(C)cc(C)c1 ZINC000049949602 384686923 /nfs/dbraw/zinc/68/69/23/384686923.db2.gz UBHAFMSNLACTID-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1cc(C)cc(C)c1 ZINC000049949602 384686934 /nfs/dbraw/zinc/68/69/34/384686934.db2.gz UBHAFMSNLACTID-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000162948132 384708215 /nfs/dbraw/zinc/70/82/15/384708215.db2.gz XRSNSMGRGYHKSL-CMPLNLGQSA-N 1 2 220.316 2.535 20 0 BFADLO COc1ccc(Cn2cc[nH+]c2)cc1Cl ZINC000041241751 384712537 /nfs/dbraw/zinc/71/25/37/384712537.db2.gz CYLHBSYWKCZWNA-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C/C1CCCC1 ZINC000493641015 533085062 /nfs/dbraw/zinc/08/50/62/533085062.db2.gz APYREINVXRNQGF-VOTSOKGWSA-N 1 2 246.310 2.775 20 0 BFADLO Cc1[nH]ncc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000125439481 384719290 /nfs/dbraw/zinc/71/92/90/384719290.db2.gz XIYVWSNIHMCZKQ-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000125439481 384719295 /nfs/dbraw/zinc/71/92/95/384719295.db2.gz XIYVWSNIHMCZKQ-UHFFFAOYSA-N 1 2 241.338 2.883 20 0 BFADLO CCOc1ccc([NH2+]CC2CCOCC2)cc1 ZINC000052171726 384720251 /nfs/dbraw/zinc/72/02/51/384720251.db2.gz HKTJVTWAQWSDRA-UHFFFAOYSA-N 1 2 235.327 2.924 20 0 BFADLO CC[C@@H](CCO)CNc1[nH+]ccc(C)c1Cl ZINC000310004640 384778236 /nfs/dbraw/zinc/77/82/36/384778236.db2.gz GCIZAFYWOHUSJZ-JTQLQIEISA-N 1 2 242.750 2.864 20 0 BFADLO CCSCC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000173918001 384735935 /nfs/dbraw/zinc/73/59/35/384735935.db2.gz PLMACUHUKGJCNL-SNVBAGLBSA-N 1 2 239.388 2.753 20 0 BFADLO CC[C@@H](C)[C@H](CNc1cccc[nH+]1)OC ZINC000294294819 384740128 /nfs/dbraw/zinc/74/01/28/384740128.db2.gz ULVJBOUDPQZPGG-MNOVXSKESA-N 1 2 208.305 2.555 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1nccs1 ZINC000126782983 384804120 /nfs/dbraw/zinc/80/41/20/384804120.db2.gz OFAJCAZSGCFOKU-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000186531634 384851151 /nfs/dbraw/zinc/85/11/51/384851151.db2.gz SQFQDZZEQZGVCV-QWRGUYRKSA-N 1 2 235.283 2.647 20 0 BFADLO C[C@@H]1C[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301502598 384888900 /nfs/dbraw/zinc/88/89/00/384888900.db2.gz FODZZEODXPWHPP-RKDXNWHRSA-N 1 2 205.305 2.594 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C2CCCC2)cc1 ZINC000647237593 384859421 /nfs/dbraw/zinc/85/94/21/384859421.db2.gz HHHITGUNDIDLBK-UHFFFAOYSA-N 1 2 242.326 2.930 20 0 BFADLO c1csc(C2([NH2+]Cc3ccon3)CCCC2)n1 ZINC000175014896 384859748 /nfs/dbraw/zinc/85/97/48/384859748.db2.gz MRWJQYWOKMULMR-UHFFFAOYSA-N 1 2 249.339 2.690 20 0 BFADLO C[C@H](C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000175287100 384889103 /nfs/dbraw/zinc/88/91/03/384889103.db2.gz KHASUZBRBCEKMI-CMPLNLGQSA-N 1 2 247.342 2.509 20 0 BFADLO COCc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000054935949 384861021 /nfs/dbraw/zinc/86/10/21/384861021.db2.gz DLSFJIQRQJHREN-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301078573 384861045 /nfs/dbraw/zinc/86/10/45/384861045.db2.gz HUNJJVVUOPNDCL-UHFFFAOYSA-N 1 2 207.321 2.755 20 0 BFADLO CCCc1csc(C[NH2+][C@H](C)CF)n1 ZINC000308618901 384868551 /nfs/dbraw/zinc/86/85/51/384868551.db2.gz SLIOGZGXYQNNAR-MRVPVSSYSA-N 1 2 216.325 2.543 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000336757540 384890677 /nfs/dbraw/zinc/89/06/77/384890677.db2.gz HSZFLHPLABHGQC-SECBINFHSA-N 1 2 241.356 2.524 20 0 BFADLO CCCCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000243497723 384895487 /nfs/dbraw/zinc/89/54/87/384895487.db2.gz NTPFKLURKQOFFU-LBPRGKRZSA-N 1 2 248.374 2.925 20 0 BFADLO CCCCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000243497723 384895496 /nfs/dbraw/zinc/89/54/96/384895496.db2.gz NTPFKLURKQOFFU-LBPRGKRZSA-N 1 2 248.374 2.925 20 0 BFADLO CCCCNc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000243497722 384897413 /nfs/dbraw/zinc/89/74/13/384897413.db2.gz NTPFKLURKQOFFU-GFCCVEGCSA-N 1 2 248.374 2.925 20 0 BFADLO CCCCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000243497722 384897417 /nfs/dbraw/zinc/89/74/17/384897417.db2.gz NTPFKLURKQOFFU-GFCCVEGCSA-N 1 2 248.374 2.925 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1)c1csnn1 ZINC000398309194 384899583 /nfs/dbraw/zinc/89/95/83/384899583.db2.gz YIWZBBWNCNZDAB-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO FCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187058276 384908800 /nfs/dbraw/zinc/90/88/00/384908800.db2.gz FMLOKLXBAIJYAB-VIFPVBQESA-N 1 2 246.376 2.593 20 0 BFADLO FCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187058276 384908808 /nfs/dbraw/zinc/90/88/08/384908808.db2.gz FMLOKLXBAIJYAB-VIFPVBQESA-N 1 2 246.376 2.593 20 0 BFADLO CS[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000128830070 384965075 /nfs/dbraw/zinc/96/50/75/384965075.db2.gz UMWMEKHZNNFTLD-MRVPVSSYSA-N 1 2 223.345 2.517 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1C=CCC1 ZINC000107285685 384962400 /nfs/dbraw/zinc/96/24/00/384962400.db2.gz HMULYCFZUBARRT-NSHDSACASA-N 1 2 216.284 2.685 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000164898475 385051091 /nfs/dbraw/zinc/05/10/91/385051091.db2.gz KHLZIFYQHAWCSR-RYUDHWBXSA-N 1 2 235.327 2.922 20 0 BFADLO COc1ccccc1/C=C\C[NH2+]CC(C)(F)F ZINC000559323991 385052010 /nfs/dbraw/zinc/05/20/10/385052010.db2.gz LFIHXEMKEBRYNB-ALCCZGGFSA-N 1 2 241.281 2.953 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164937929 385054046 /nfs/dbraw/zinc/05/40/46/385054046.db2.gz DZPIAHXGNDZQQV-NWDGAFQWSA-N 1 2 236.359 2.896 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cccc(F)c1F ZINC000115577544 385063948 /nfs/dbraw/zinc/06/39/48/385063948.db2.gz DXKGHVXLIQUFLY-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cccc(F)c1F ZINC000115577544 385063951 /nfs/dbraw/zinc/06/39/51/385063951.db2.gz DXKGHVXLIQUFLY-NSHDSACASA-N 1 2 241.281 2.576 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000176189622 385034358 /nfs/dbraw/zinc/03/43/58/385034358.db2.gz UHXWZBJVQUCDFI-SNVBAGLBSA-N 1 2 220.316 2.929 20 0 BFADLO COc1cc(CNc2cc(C)c[nH+]c2C)sn1 ZINC000404685951 385044468 /nfs/dbraw/zinc/04/44/68/385044468.db2.gz LWZHYAABUYXEPB-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C)(C)C1 ZINC000287543024 385109107 /nfs/dbraw/zinc/10/91/07/385109107.db2.gz OHCZUFSEPHUMAM-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO C[C@@H](CO)[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354327177 385112103 /nfs/dbraw/zinc/11/21/03/385112103.db2.gz HOPOBPWUXVXEJA-UWVGGRQHSA-N 1 2 248.301 2.803 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000165512052 385139255 /nfs/dbraw/zinc/13/92/55/385139255.db2.gz PFONXAHHHXJGMT-NEPJUHHUSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCOC1 ZINC000165512052 385139260 /nfs/dbraw/zinc/13/92/60/385139260.db2.gz PFONXAHHHXJGMT-NEPJUHHUSA-N 1 2 234.343 2.590 20 0 BFADLO CSCc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000129029086 385100068 /nfs/dbraw/zinc/10/00/68/385100068.db2.gz ILOIRJUUYQODMY-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO Cc1nc(N2CCS[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000176855595 385152030 /nfs/dbraw/zinc/15/20/30/385152030.db2.gz DFGLHIVUNUXYRB-RYUDHWBXSA-N 1 2 249.383 2.649 20 0 BFADLO Cc1nc(N2CCS[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000176855613 385152171 /nfs/dbraw/zinc/15/21/71/385152171.db2.gz DFGLHIVUNUXYRB-NWDGAFQWSA-N 1 2 249.383 2.649 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@]1(F)c1ccccc1)c1ncc[nH]1 ZINC000424327388 385166999 /nfs/dbraw/zinc/16/69/99/385166999.db2.gz PUJMPCZDTXCELN-ZKYQVNSYSA-N 1 2 245.301 2.698 20 0 BFADLO C[C@H](N[C@@H]1C[C@@]1(F)c1ccccc1)c1[nH]cc[nH+]1 ZINC000424327388 385167003 /nfs/dbraw/zinc/16/70/03/385167003.db2.gz PUJMPCZDTXCELN-ZKYQVNSYSA-N 1 2 245.301 2.698 20 0 BFADLO Cc1ccc2c(c1)N(Cc1c[nH+]cn1C)CCC2 ZINC000177067884 385174030 /nfs/dbraw/zinc/17/40/30/385174030.db2.gz GBUXBRPZDVCBTJ-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO C[C@@H]1C[C@H](C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111083 385211813 /nfs/dbraw/zinc/21/18/13/385211813.db2.gz NSHSORVPJSPIBY-PHIMTYICSA-N 1 2 231.343 2.836 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1ncc(Cl)s1 ZINC000308841798 385213452 /nfs/dbraw/zinc/21/34/52/385213452.db2.gz NRKVNYNIPDPXJD-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CC(F)(F)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000559886297 385214105 /nfs/dbraw/zinc/21/41/05/385214105.db2.gz NRUQJIGSBBTVQU-NSHDSACASA-N 1 2 244.260 2.917 20 0 BFADLO CC(F)(F)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000559886288 385215620 /nfs/dbraw/zinc/21/56/20/385215620.db2.gz NRUQJIGSBBTVQU-LLVKDONJSA-N 1 2 244.260 2.917 20 0 BFADLO C/C=C(\CC)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000190237193 385221641 /nfs/dbraw/zinc/22/16/41/385221641.db2.gz OXKZCGKKRVPWQB-JPOQUURFSA-N 1 2 247.342 2.820 20 0 BFADLO CC[C@H](COC)Nc1ccc([NH+](C)C)c(C)c1 ZINC000153440792 385255201 /nfs/dbraw/zinc/25/52/01/385255201.db2.gz NMQJWIGCBRLVKW-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO CC(C)[N@H+](C/C=C/Cl)CC(=O)OC(C)(C)C ZINC000153949750 385294322 /nfs/dbraw/zinc/29/43/22/385294322.db2.gz MCYNRKGHMRRDQR-VOTSOKGWSA-N 1 2 247.766 2.791 20 0 BFADLO CC(C)[N@@H+](C/C=C/Cl)CC(=O)OC(C)(C)C ZINC000153949750 385294327 /nfs/dbraw/zinc/29/43/27/385294327.db2.gz MCYNRKGHMRRDQR-VOTSOKGWSA-N 1 2 247.766 2.791 20 0 BFADLO Cn1cc[nH+]c1CN1CCC=Cc2ccccc21 ZINC000191293079 385296688 /nfs/dbraw/zinc/29/66/88/385296688.db2.gz OTYTWXNUCGERDG-UHFFFAOYSA-N 1 2 239.322 2.844 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cocn2)cc1 ZINC000191920693 385335465 /nfs/dbraw/zinc/33/54/65/385335465.db2.gz SFIZITOXOFUABC-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cocn2)cc1 ZINC000191920693 385335469 /nfs/dbraw/zinc/33/54/69/385335469.db2.gz SFIZITOXOFUABC-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CS[C@@H]1CCCCN(c2cc[nH+]c(C)n2)C1 ZINC000154668389 385346363 /nfs/dbraw/zinc/34/63/63/385346363.db2.gz AMVFOZZNIXPIFL-LLVKDONJSA-N 1 2 237.372 2.507 20 0 BFADLO CCOCc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000192284813 385349390 /nfs/dbraw/zinc/34/93/90/385349390.db2.gz XTKSDJIMIPQQCS-UHFFFAOYSA-N 1 2 246.310 2.501 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCOCC1 ZINC000131877269 385367293 /nfs/dbraw/zinc/36/72/93/385367293.db2.gz OMHLXMORDILVBI-SNVBAGLBSA-N 1 2 247.342 2.581 20 0 BFADLO Cc1cc[nH+]c(N[C@@H](C)C[C@@H](C)O)c1Cl ZINC000309026614 385377604 /nfs/dbraw/zinc/37/76/04/385377604.db2.gz BALPIDXNXXILMS-DTWKUNHWSA-N 1 2 228.723 2.615 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000155980250 385424556 /nfs/dbraw/zinc/42/45/56/385424556.db2.gz HJTPNQXBYXVGMO-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2ccc(F)c(F)c2)[C@H]1C ZINC000155980250 385424558 /nfs/dbraw/zinc/42/45/58/385424558.db2.gz HJTPNQXBYXVGMO-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1OCC[C@@H]1SCc1cn2ccccc2[nH+]1 ZINC000178841224 385421314 /nfs/dbraw/zinc/42/13/14/385421314.db2.gz RNCVMHJNTYVCKV-JQWIXIFHSA-N 1 2 248.351 2.745 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(F)cc1F ZINC000155959657 385423484 /nfs/dbraw/zinc/42/34/84/385423484.db2.gz HBHZUQWVADWBAS-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(F)cc1F ZINC000155959657 385423486 /nfs/dbraw/zinc/42/34/86/385423486.db2.gz HBHZUQWVADWBAS-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000179233746 385454636 /nfs/dbraw/zinc/45/46/36/385454636.db2.gz FBWDEBPWDKZJLC-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC000179233746 385454640 /nfs/dbraw/zinc/45/46/40/385454640.db2.gz FBWDEBPWDKZJLC-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO CC/C=C(\C)C(=O)Nc1cc[nH+]cc1C ZINC000170956902 385458377 /nfs/dbraw/zinc/45/83/77/385458377.db2.gz NMDXCGKPMGCDOK-WEVVVXLNSA-N 1 2 204.273 2.685 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1cccc(F)c1F ZINC000182063718 385428611 /nfs/dbraw/zinc/42/86/11/385428611.db2.gz DIBOUQVYBCPBDA-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1c(NCc2[nH]cc[nH+]2)cnn1C1CCCC1 ZINC000195455397 385470072 /nfs/dbraw/zinc/47/00/72/385470072.db2.gz PSWRXJGZWOOVPC-UHFFFAOYSA-N 1 2 245.330 2.642 20 0 BFADLO CC(C)(C)C[C@@H]1CCN(c2cc(CO)cc[nH+]2)C1 ZINC000307845183 385480751 /nfs/dbraw/zinc/48/07/51/385480751.db2.gz JXKBYIJUDYQSCF-ZDUSSCGKSA-N 1 2 248.370 2.836 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3ccon3)CC2)c1 ZINC000179694065 385483146 /nfs/dbraw/zinc/48/31/46/385483146.db2.gz BSZWBXFUDUDXGL-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO Fc1cccc(CCCOCc2[nH]cc[nH+]2)c1 ZINC000180113208 385508025 /nfs/dbraw/zinc/50/80/25/385508025.db2.gz GJFKURLNDKXOJO-UHFFFAOYSA-N 1 2 234.274 2.698 20 0 BFADLO Cc1cc(N2CC(C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000643170129 385543176 /nfs/dbraw/zinc/54/31/76/385543176.db2.gz AAXZYVGMTGPGHX-UHFFFAOYSA-N 1 2 229.327 2.509 20 0 BFADLO Cc1ccc(SCCCn2cc[nH+]c2)nc1 ZINC000180435511 385522587 /nfs/dbraw/zinc/52/25/87/385522587.db2.gz FGYQSQDJDRGUOO-UHFFFAOYSA-N 1 2 233.340 2.769 20 0 BFADLO Cc1cnc(C[N@H+]2CC=C(C(C)(C)C)CC2)nc1 ZINC000334249027 385524051 /nfs/dbraw/zinc/52/40/51/385524051.db2.gz SKKVWSDTYFXNLF-UHFFFAOYSA-N 1 2 245.370 2.963 20 0 BFADLO Cc1cnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)nc1 ZINC000334249027 385524054 /nfs/dbraw/zinc/52/40/54/385524054.db2.gz SKKVWSDTYFXNLF-UHFFFAOYSA-N 1 2 245.370 2.963 20 0 BFADLO c1ccc(NCCCC2CCOCC2)[nH+]c1 ZINC000309385117 385559049 /nfs/dbraw/zinc/55/90/49/385559049.db2.gz AIFMAWVUVAHANJ-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccccc1 ZINC000107293433 385561623 /nfs/dbraw/zinc/56/16/23/385561623.db2.gz NXLSVQIFOUESCK-UHFFFAOYSA-N 1 2 212.252 2.642 20 0 BFADLO C[N@H+](CCCn1ccnc1)C/C(Cl)=C/Cl ZINC000181064663 385562900 /nfs/dbraw/zinc/56/29/00/385562900.db2.gz DYCILLZFFYLLHX-YFHOEESVSA-N 1 2 248.157 2.524 20 0 BFADLO C[N@@H+](CCCn1ccnc1)C/C(Cl)=C/Cl ZINC000181064663 385562902 /nfs/dbraw/zinc/56/29/02/385562902.db2.gz DYCILLZFFYLLHX-YFHOEESVSA-N 1 2 248.157 2.524 20 0 BFADLO COC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181345762 385572307 /nfs/dbraw/zinc/57/23/07/385572307.db2.gz KZMDLDKNPUSWPK-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000643205939 385596006 /nfs/dbraw/zinc/59/60/06/385596006.db2.gz FUKPGARDMABYJD-ZYHUDNBSSA-N 1 2 243.310 2.709 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181792932 385606664 /nfs/dbraw/zinc/60/66/64/385606664.db2.gz YXVGBLUSVZSCPZ-NEPJUHHUSA-N 1 2 249.354 2.504 20 0 BFADLO CC(F)(F)C[NH2+]Cc1nccc2ccccc21 ZINC000645196961 385602579 /nfs/dbraw/zinc/60/25/79/385602579.db2.gz WCHXCKMWMXDCTL-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc(C)[nH+]cn1 ZINC000309429571 385579262 /nfs/dbraw/zinc/57/92/62/385579262.db2.gz FWQZDCRVOVGWOF-MRVPVSSYSA-N 1 2 233.237 2.928 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCC[C@@H]1C ZINC000334724362 385616805 /nfs/dbraw/zinc/61/68/05/385616805.db2.gz CKDWSUHSCQOYNO-SMDDNHRTSA-N 1 2 232.327 2.577 20 0 BFADLO CCCCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337422035 385653860 /nfs/dbraw/zinc/65/38/60/385653860.db2.gz VEILUAKBLQJYJR-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO CCCCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337422035 385653864 /nfs/dbraw/zinc/65/38/64/385653864.db2.gz VEILUAKBLQJYJR-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO FC(F)(F)C1=CC[N@H+](C/C=C/Cl)CC1 ZINC000270189979 385683184 /nfs/dbraw/zinc/68/31/84/385683184.db2.gz AXWPCUMQOVETEU-DAFODLJHSA-N 1 2 225.641 2.933 20 0 BFADLO FC(F)(F)C1=CC[N@@H+](C/C=C/Cl)CC1 ZINC000270189979 385683191 /nfs/dbraw/zinc/68/31/91/385683191.db2.gz AXWPCUMQOVETEU-DAFODLJHSA-N 1 2 225.641 2.933 20 0 BFADLO C[C@@H](CNc1ccc(CO)c[nH+]1)C1CCCCC1 ZINC000647912999 385683498 /nfs/dbraw/zinc/68/34/98/385683498.db2.gz GQQYPDRWRSDLIK-LBPRGKRZSA-N 1 2 248.370 2.624 20 0 BFADLO COC[C@H](CC(C)C)Nc1ccc(C)[nH+]c1 ZINC000309554956 385686842 /nfs/dbraw/zinc/68/68/42/385686842.db2.gz JKGYUQIGRLFDOL-ZDUSSCGKSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCCOC(C)C ZINC000182632846 385688611 /nfs/dbraw/zinc/68/86/11/385688611.db2.gz PNNKBAXODFWZQP-UHFFFAOYSA-N 1 2 236.315 2.534 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccco1 ZINC000281677003 385691701 /nfs/dbraw/zinc/69/17/01/385691701.db2.gz RGERITWSOMZURK-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccco1 ZINC000281677003 385691710 /nfs/dbraw/zinc/69/17/10/385691710.db2.gz RGERITWSOMZURK-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CCSCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337531312 385697114 /nfs/dbraw/zinc/69/71/14/385697114.db2.gz VMBMAERLRKVVHE-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CCSCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337531312 385697118 /nfs/dbraw/zinc/69/71/18/385697118.db2.gz VMBMAERLRKVVHE-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cccnc1Cl ZINC000291792470 385705436 /nfs/dbraw/zinc/70/54/36/385705436.db2.gz WHUFMCWGGFHEAJ-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(C2CC2)no1 ZINC000281860556 385709038 /nfs/dbraw/zinc/70/90/38/385709038.db2.gz ZZQZVGQFBFXUGF-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)on1)c1c(C)noc1C ZINC000182433936 385669160 /nfs/dbraw/zinc/66/91/60/385669160.db2.gz LNRGNYRQWULSKR-LBPRGKRZSA-N 1 2 249.314 2.829 20 0 BFADLO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(F)(F)F ZINC000336655456 385758707 /nfs/dbraw/zinc/75/87/07/385758707.db2.gz NUNKIXXVJDRTLC-RKDXNWHRSA-N 1 2 207.239 2.883 20 0 BFADLO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccccc1F ZINC000271004887 385770808 /nfs/dbraw/zinc/77/08/08/385770808.db2.gz MWMGIBAZWFKXDM-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1n[nH]c(C)c1C[N@H+](C)Cc1ccccc1F ZINC000271004887 385770811 /nfs/dbraw/zinc/77/08/11/385770811.db2.gz MWMGIBAZWFKXDM-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2nccn2C)c(C)s1 ZINC000271045923 385776182 /nfs/dbraw/zinc/77/61/82/385776182.db2.gz VGYQZKVZEDBTBG-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2nccn2C)c(C)s1 ZINC000271045923 385776186 /nfs/dbraw/zinc/77/61/86/385776186.db2.gz VGYQZKVZEDBTBG-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO CC[C@@H](C)CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000283114036 385810652 /nfs/dbraw/zinc/81/06/52/385810652.db2.gz VVCNESPKYIXOQW-PWSUYJOCSA-N 1 2 237.347 2.659 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SCC1(C)CCC1 ZINC000283206200 385813691 /nfs/dbraw/zinc/81/36/91/385813691.db2.gz YTSRYMJXTSPZSJ-UHFFFAOYSA-N 1 2 248.355 2.646 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CCCC1CC1 ZINC000643233401 385836306 /nfs/dbraw/zinc/83/63/06/385836306.db2.gz PKLCJBSATFYCHK-UHFFFAOYSA-N 1 2 234.299 2.609 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)cc2C)n1 ZINC000340471795 385858998 /nfs/dbraw/zinc/85/89/98/385858998.db2.gz JVOWZCORFTXEET-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccc(O)cc2)cs1 ZINC000272400021 385899755 /nfs/dbraw/zinc/89/97/55/385899755.db2.gz IYFWHNNSOJMKRO-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccc(O)cc2)cs1 ZINC000272400021 385899758 /nfs/dbraw/zinc/89/97/58/385899758.db2.gz IYFWHNNSOJMKRO-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)CCO)cc1)C1CCC1 ZINC000272501502 385909212 /nfs/dbraw/zinc/90/92/12/385909212.db2.gz UACURGHYDJHKON-GFCCVEGCSA-N 1 2 248.370 2.716 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285315690 385915250 /nfs/dbraw/zinc/91/52/50/385915250.db2.gz IMMWRSZTDDGBLW-SNVBAGLBSA-N 1 2 247.264 2.889 20 0 BFADLO FC(F)(F)CC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285315690 385915254 /nfs/dbraw/zinc/91/52/54/385915254.db2.gz IMMWRSZTDDGBLW-SNVBAGLBSA-N 1 2 247.264 2.889 20 0 BFADLO CCCc1cc(C(=O)Nc2cc[nH+]c(C)c2)no1 ZINC000294942860 385922480 /nfs/dbraw/zinc/92/24/80/385922480.db2.gz NABCSRNMYKUQIJ-UHFFFAOYSA-N 1 2 245.282 2.583 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000272059705 385871604 /nfs/dbraw/zinc/87/16/04/385871604.db2.gz RWKDSRQDZZKTIW-SMDDNHRTSA-N 1 2 247.338 2.597 20 0 BFADLO CC1(C)CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284547885 385874564 /nfs/dbraw/zinc/87/45/64/385874564.db2.gz XOCPTSWNXGBVFK-SYTKJHMZSA-N 1 2 247.342 2.508 20 0 BFADLO CCC[C@H](CNc1cc[nH+]c(C2CC2)n1)OC ZINC000294981240 385934473 /nfs/dbraw/zinc/93/44/73/385934473.db2.gz PKBWEISVUUWWHK-LLVKDONJSA-N 1 2 235.331 2.581 20 0 BFADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1cccnc1 ZINC000272808649 385938716 /nfs/dbraw/zinc/93/87/16/385938716.db2.gz GLUQCJFGGTVPKN-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccn1 ZINC000272828615 385940658 /nfs/dbraw/zinc/94/06/58/385940658.db2.gz KKHDLLNFUOKFKV-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO COc1cc(C)cc(CNc2cc(C)[nH+]cn2)c1 ZINC000128037465 385945714 /nfs/dbraw/zinc/94/57/14/385945714.db2.gz AUBVPSRPGHOWTJ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1nccn1C ZINC000335051608 385949236 /nfs/dbraw/zinc/94/92/36/385949236.db2.gz BYUVMNXTFSPGCZ-SNVBAGLBSA-N 1 2 242.326 2.561 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cn[nH]c1 ZINC000335055873 385955441 /nfs/dbraw/zinc/95/54/41/385955441.db2.gz RNEZDZZKJZEVRY-VIFPVBQESA-N 1 2 228.299 2.551 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCN2)[C@@H]1CCCOC1 ZINC000335057074 385956281 /nfs/dbraw/zinc/95/62/81/385956281.db2.gz WXYCWORPQVKNNL-DGCLKSJQSA-N 1 2 246.354 2.882 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCOC1 ZINC000335057074 385956286 /nfs/dbraw/zinc/95/62/86/385956286.db2.gz WXYCWORPQVKNNL-DGCLKSJQSA-N 1 2 246.354 2.882 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cn[nH]c1 ZINC000335055872 385957362 /nfs/dbraw/zinc/95/73/62/385957362.db2.gz RNEZDZZKJZEVRY-SECBINFHSA-N 1 2 228.299 2.551 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2CC[C@@H](C)C2)c[nH+]1 ZINC000335057628 385958661 /nfs/dbraw/zinc/95/86/61/385958661.db2.gz KEYPVUDPRKMELA-MFKMUULPSA-N 1 2 246.354 2.751 20 0 BFADLO Clc1ccccc1C[N@@H+]1CCOCC12CC2 ZINC000335059989 385960757 /nfs/dbraw/zinc/96/07/57/385960757.db2.gz SVMVIFMVEIPKMZ-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccccc1C[N@H+]1CCOCC12CC2 ZINC000335059989 385960763 /nfs/dbraw/zinc/96/07/63/385960763.db2.gz SVMVIFMVEIPKMZ-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)C(F)(F)F ZINC000414146618 385994084 /nfs/dbraw/zinc/99/40/84/385994084.db2.gz VJXALSSJUWEABR-KZVJFYERSA-N 1 2 209.255 2.961 20 0 BFADLO CCCCc1[nH+]c2ccccc2n1C[C@@H](C)O ZINC000414110107 385969623 /nfs/dbraw/zinc/96/96/23/385969623.db2.gz VMDZZJGVOSDIGA-LLVKDONJSA-N 1 2 232.327 2.760 20 0 BFADLO Cc1nc(N[C@H]2C[C@@H](OC(C)(C)C)C2)cc[nH+]1 ZINC000645365536 385999525 /nfs/dbraw/zinc/99/95/25/385999525.db2.gz HUVMYIMMJZOMTC-PHIMTYICSA-N 1 2 235.331 2.543 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cccnc1 ZINC000273450669 386001540 /nfs/dbraw/zinc/00/15/40/386001540.db2.gz FXTCGQNTVJBKNP-CQSZACIVSA-N 1 2 244.342 2.744 20 0 BFADLO Cc1nc(N2CC3(CC=CC3)[C@@H]2C(C)C)cc[nH+]1 ZINC000645387741 386010198 /nfs/dbraw/zinc/01/01/98/386010198.db2.gz QIVUSIULMHITBJ-AWEZNQCLSA-N 1 2 243.354 2.966 20 0 BFADLO CCCC[N@@H+]1CC(=O)N[C@]12CCC[C@H](CC)C2 ZINC000414178000 386019565 /nfs/dbraw/zinc/01/95/65/386019565.db2.gz JPHLLKHKUHRAQW-GXTWGEPZSA-N 1 2 238.375 2.515 20 0 BFADLO CCCC[N@H+]1CC(=O)N[C@]12CCC[C@H](CC)C2 ZINC000414178000 386019571 /nfs/dbraw/zinc/01/95/71/386019571.db2.gz JPHLLKHKUHRAQW-GXTWGEPZSA-N 1 2 238.375 2.515 20 0 BFADLO Cc1ccoc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335060181 386023309 /nfs/dbraw/zinc/02/33/09/386023309.db2.gz WGXKAGNVODATQR-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO Cc1cc(CNC(=O)C2(C)CCCC2)cc(C)[nH+]1 ZINC000335072260 386023955 /nfs/dbraw/zinc/02/39/55/386023955.db2.gz DEYWTKUPTAVPDT-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO Cn1ccnc1C[N@H+](C)C/C=C/c1ccccc1 ZINC000273709835 386024160 /nfs/dbraw/zinc/02/41/60/386024160.db2.gz FWTVBSWISLQEAN-RMKNXTFCSA-N 1 2 241.338 2.565 20 0 BFADLO Cn1ccnc1C[N@@H+](C)C/C=C/c1ccccc1 ZINC000273709835 386024164 /nfs/dbraw/zinc/02/41/64/386024164.db2.gz FWTVBSWISLQEAN-RMKNXTFCSA-N 1 2 241.338 2.565 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1c(C)coc1C ZINC000334420974 386026903 /nfs/dbraw/zinc/02/69/03/386026903.db2.gz QRAILSVLZVKUBL-UHFFFAOYSA-N 1 2 246.266 2.552 20 0 BFADLO C[NH2+]Cc1noc(Cc2cccc(C(C)C)c2)n1 ZINC000414639411 386028160 /nfs/dbraw/zinc/02/81/60/386028160.db2.gz GMGJGOAWRSKVBH-UHFFFAOYSA-N 1 2 245.326 2.503 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000334431911 386033219 /nfs/dbraw/zinc/03/32/19/386033219.db2.gz WLYFBEJGXFZVEG-UWVGGRQHSA-N 1 2 237.347 2.807 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](C)C(C)(C)C2)no1 ZINC000334431911 386033229 /nfs/dbraw/zinc/03/32/29/386033229.db2.gz WLYFBEJGXFZVEG-UWVGGRQHSA-N 1 2 237.347 2.807 20 0 BFADLO CC(C)(C)CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000286396245 386035683 /nfs/dbraw/zinc/03/56/83/386035683.db2.gz NUDLBZYVDLFQNQ-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1cc(NC(=O)CC2CC(C)(C)C2)cc[nH+]1 ZINC000340231133 386041550 /nfs/dbraw/zinc/04/15/50/386041550.db2.gz KROMWMWISUDCDP-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO Cc1cnc(NCCCc2cccc(C)[nH+]2)nc1 ZINC000286530362 386047941 /nfs/dbraw/zinc/04/79/41/386047941.db2.gz HTNDUZSNAYKCHG-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000295545291 386049102 /nfs/dbraw/zinc/04/91/02/386049102.db2.gz WQMJJBIYDMULIK-GHMZBOCLSA-N 1 2 247.338 2.776 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000295544157 386049350 /nfs/dbraw/zinc/04/93/50/386049350.db2.gz GQMAPVYWUWLSQE-GFCCVEGCSA-N 1 2 249.358 2.593 20 0 BFADLO Cn1cnc2cc(C[N@@H+]3CCC=C(F)C3)ccc21 ZINC000274505004 386111914 /nfs/dbraw/zinc/11/19/14/386111914.db2.gz SWEQBPDHMHBHEB-UHFFFAOYSA-N 1 2 245.301 2.632 20 0 BFADLO Cn1cnc2cc(C[N@H+]3CCC=C(F)C3)ccc21 ZINC000274505004 386111919 /nfs/dbraw/zinc/11/19/19/386111919.db2.gz SWEQBPDHMHBHEB-UHFFFAOYSA-N 1 2 245.301 2.632 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1F ZINC000647930032 386123884 /nfs/dbraw/zinc/12/38/84/386123884.db2.gz MJOPUUFAEWRZFB-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO COc1ccc(CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000345826712 386114322 /nfs/dbraw/zinc/11/43/22/386114322.db2.gz QUXIPCZEXGTMLF-UHFFFAOYSA-N 1 2 241.281 2.579 20 0 BFADLO COc1ccc(CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000345826712 386114328 /nfs/dbraw/zinc/11/43/28/386114328.db2.gz QUXIPCZEXGTMLF-UHFFFAOYSA-N 1 2 241.281 2.579 20 0 BFADLO CCOCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287374585 386116939 /nfs/dbraw/zinc/11/69/39/386116939.db2.gz MPAZNYZPVGEVSW-UHFFFAOYSA-N 1 2 225.719 2.692 20 0 BFADLO CCOCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287374585 386116943 /nfs/dbraw/zinc/11/69/43/386116943.db2.gz MPAZNYZPVGEVSW-UHFFFAOYSA-N 1 2 225.719 2.692 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1cc(F)ncc1F ZINC000296011849 386121091 /nfs/dbraw/zinc/12/10/91/386121091.db2.gz LRYSUIWLONFWIB-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO CCCCC[N@@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000414212804 386068230 /nfs/dbraw/zinc/06/82/30/386068230.db2.gz QFNRLWGXEIOOJP-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO CCCCC[N@H+]1CC(=O)N[C@]12CCC(C)(C)C2 ZINC000414212804 386068234 /nfs/dbraw/zinc/06/82/34/386068234.db2.gz QFNRLWGXEIOOJP-CQSZACIVSA-N 1 2 238.375 2.515 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)no1 ZINC000223649525 386092019 /nfs/dbraw/zinc/09/20/19/386092019.db2.gz QPTCHXJBFWPXEY-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cn1 ZINC000335158875 386151929 /nfs/dbraw/zinc/15/19/29/386151929.db2.gz NQAIJQDGDAMKIM-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cn1 ZINC000335158875 386151937 /nfs/dbraw/zinc/15/19/37/386151937.db2.gz NQAIJQDGDAMKIM-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CCCc1cccc(C[NH2+]Cc2cn[nH]c2C)c1 ZINC000274814295 386152067 /nfs/dbraw/zinc/15/20/67/386152067.db2.gz QYRRVILDYYRXRO-UHFFFAOYSA-N 1 2 243.354 2.960 20 0 BFADLO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccco1 ZINC000353881036 386155099 /nfs/dbraw/zinc/15/50/99/386155099.db2.gz PJNHYHGFVHYUAX-GWCFXTLKSA-N 1 2 245.326 2.815 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H]2F)nc(C(C)C)[nH+]1 ZINC000338836551 386156225 /nfs/dbraw/zinc/15/62/25/386156225.db2.gz SBYSZWFWXHZZKN-QWRGUYRKSA-N 1 2 237.322 2.633 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CC[C@](C)(F)C3)cn2c1 ZINC000335148334 386158118 /nfs/dbraw/zinc/15/81/18/386158118.db2.gz WCCDVWLNKCAFJI-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CC[C@](C)(F)C3)cn2c1 ZINC000335148334 386158125 /nfs/dbraw/zinc/15/81/25/386158125.db2.gz WCCDVWLNKCAFJI-AWEZNQCLSA-N 1 2 247.317 2.577 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000338880207 386167473 /nfs/dbraw/zinc/16/74/73/386167473.db2.gz LJUBDUVPZFIFDE-SRVKXCTJSA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000336730131 386171630 /nfs/dbraw/zinc/17/16/30/386171630.db2.gz JRVXNWDVXOSIKS-QWRGUYRKSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cn1 ZINC000164699422 386184346 /nfs/dbraw/zinc/18/43/46/386184346.db2.gz GOFVGDVMJQHEJE-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO C[N@H+](Cc1ccc(F)cn1)Cc1ccccc1F ZINC000345848160 386127709 /nfs/dbraw/zinc/12/77/09/386127709.db2.gz IXYJZOKKKKEOAO-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccc(F)cn1)Cc1ccccc1F ZINC000345848160 386127714 /nfs/dbraw/zinc/12/77/14/386127714.db2.gz IXYJZOKKKKEOAO-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(O)cc2)s1 ZINC000296156766 386141516 /nfs/dbraw/zinc/14/15/16/386141516.db2.gz WHHHOWKOOQLOTH-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(O)cc2)s1 ZINC000296156766 386141522 /nfs/dbraw/zinc/14/15/22/386141522.db2.gz WHHHOWKOOQLOTH-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cc(CNC(=O)CCCC2CC2)cc(C)[nH+]1 ZINC000643319022 386219808 /nfs/dbraw/zinc/21/98/08/386219808.db2.gz RQFMBDSQRCNQHO-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1nccn1C ZINC000275616773 386224981 /nfs/dbraw/zinc/22/49/81/386224981.db2.gz NXNUMSSCUCFTLE-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1nccn1C ZINC000275616773 386224984 /nfs/dbraw/zinc/22/49/84/386224984.db2.gz NXNUMSSCUCFTLE-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO Cc1c[nH+]ccc1CCNc1ncccc1F ZINC000339054028 386227108 /nfs/dbraw/zinc/22/71/08/386227108.db2.gz LFXYIETWBLCQPX-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO FC(F)[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000292670084 386232710 /nfs/dbraw/zinc/23/27/10/386232710.db2.gz JAWAMKFAGKRIBB-NSHDSACASA-N 1 2 211.255 2.992 20 0 BFADLO FC(F)[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000292670078 386233726 /nfs/dbraw/zinc/23/37/26/386233726.db2.gz JAWAMKFAGKRIBB-LLVKDONJSA-N 1 2 211.255 2.992 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cc(C3CC3)no2)s1 ZINC000638633929 386249449 /nfs/dbraw/zinc/24/94/49/386249449.db2.gz JMSAEWFNGRNSIX-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccncc2)co1 ZINC000647969906 386254581 /nfs/dbraw/zinc/25/45/81/386254581.db2.gz XJICCSLPSFBOFC-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccncc2)co1 ZINC000647969906 386254587 /nfs/dbraw/zinc/25/45/87/386254587.db2.gz XJICCSLPSFBOFC-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO CCC1(CC)C[NH+](Cc2cscn2)C1 ZINC000297422712 386254815 /nfs/dbraw/zinc/25/48/15/386254815.db2.gz MMJATLPZUDUVQD-UHFFFAOYSA-N 1 2 210.346 2.765 20 0 BFADLO CC(C)[C@H](C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000338973038 386193393 /nfs/dbraw/zinc/19/33/93/386193393.db2.gz PNAJHZFOYRPZPE-JTQLQIEISA-N 1 2 239.363 2.843 20 0 BFADLO CC(C)[C@H](C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000338973038 386193399 /nfs/dbraw/zinc/19/33/99/386193399.db2.gz PNAJHZFOYRPZPE-JTQLQIEISA-N 1 2 239.363 2.843 20 0 BFADLO FC1C[NH+](Cc2cccc3ccccc32)C1 ZINC000346341414 386193969 /nfs/dbraw/zinc/19/39/69/386193969.db2.gz XKAJMWNZPUOUSG-UHFFFAOYSA-N 1 2 215.271 2.994 20 0 BFADLO CNc1ccc(Nc2ccnc(C3CC3)n2)c[nH+]1 ZINC000264884525 386282935 /nfs/dbraw/zinc/28/29/35/386282935.db2.gz RSPMVZKNFBPEJA-UHFFFAOYSA-N 1 2 241.298 2.534 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H](C)c2ccccc2C)c[nH+]1 ZINC000264909197 386283606 /nfs/dbraw/zinc/28/36/06/386283606.db2.gz YWGKCGBXZFZLFQ-SNVBAGLBSA-N 1 2 243.310 2.518 20 0 BFADLO CC(C)(C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000343204330 386289106 /nfs/dbraw/zinc/28/91/06/386289106.db2.gz FNQGEOIMUDIQIU-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000276239135 386290901 /nfs/dbraw/zinc/29/09/01/386290901.db2.gz BWXKDFVNTCNLJA-YUMQZZPRSA-N 1 2 248.248 2.936 20 0 BFADLO CCC[C@H](C)[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000644859085 386291011 /nfs/dbraw/zinc/29/10/11/386291011.db2.gz JABRKOVNHRUKHV-VIFPVBQESA-N 1 2 235.306 2.735 20 0 BFADLO CC(C)CC(C)(C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000236657067 386299381 /nfs/dbraw/zinc/29/93/81/386299381.db2.gz IBPRREZJUYUFIR-UHFFFAOYSA-N 1 2 235.331 2.675 20 0 BFADLO c1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000645395720 386306302 /nfs/dbraw/zinc/30/63/02/386306302.db2.gz ICPACFCCEIMPJM-CKYFFXLPSA-N 1 2 244.342 2.651 20 0 BFADLO c1nc(NC2CC2)cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000645395720 386306306 /nfs/dbraw/zinc/30/63/06/386306306.db2.gz ICPACFCCEIMPJM-CKYFFXLPSA-N 1 2 244.342 2.651 20 0 BFADLO COCc1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000298289796 386321005 /nfs/dbraw/zinc/32/10/05/386321005.db2.gz HBBOCHYFIRBXNN-UHFFFAOYSA-N 1 2 243.310 2.983 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@@](C)(CC)C2)no1 ZINC000336676158 386323478 /nfs/dbraw/zinc/32/34/78/386323478.db2.gz ANYAQPDDPOYDRV-CYBMUJFWSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@@](C)(CC)C2)no1 ZINC000336676158 386323483 /nfs/dbraw/zinc/32/34/83/386323483.db2.gz ANYAQPDDPOYDRV-CYBMUJFWSA-N 1 2 237.347 2.644 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cn2ccsc2n1 ZINC000339135102 386266566 /nfs/dbraw/zinc/26/65/66/386266566.db2.gz ITWZRPYSGMOCJX-UHFFFAOYSA-N 1 2 247.323 2.621 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cn2ccsc2n1 ZINC000339135102 386266568 /nfs/dbraw/zinc/26/65/68/386266568.db2.gz ITWZRPYSGMOCJX-UHFFFAOYSA-N 1 2 247.323 2.621 20 0 BFADLO C[C@@H](CCO)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803692 386268355 /nfs/dbraw/zinc/26/83/55/386268355.db2.gz CDDCVOCYFKFTHB-QMMMGPOBSA-N 1 2 248.248 2.531 20 0 BFADLO CC(C)[C@H](NC(=O)C[C@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000276556544 386343828 /nfs/dbraw/zinc/34/38/28/386343828.db2.gz GXZFFCJJBYQMTE-AAEUAGOBSA-N 1 2 247.342 2.579 20 0 BFADLO C[C@@]12CC[N@H+](Cc3nccs3)C[C@@H]1C2(F)F ZINC000298441116 386344158 /nfs/dbraw/zinc/34/41/58/386344158.db2.gz ZARPKVPHNKDDKY-WCBMZHEXSA-N 1 2 244.310 2.620 20 0 BFADLO C[C@@]12CC[N@@H+](Cc3nccs3)C[C@@H]1C2(F)F ZINC000298441116 386344163 /nfs/dbraw/zinc/34/41/63/386344163.db2.gz ZARPKVPHNKDDKY-WCBMZHEXSA-N 1 2 244.310 2.620 20 0 BFADLO CCC[N@H+](CCCc1ccncc1)CC(F)F ZINC000347306783 386349283 /nfs/dbraw/zinc/34/92/83/386349283.db2.gz WSXOZQRHGHEDAY-UHFFFAOYSA-N 1 2 242.313 2.991 20 0 BFADLO CCC[N@@H+](CCCc1ccncc1)CC(F)F ZINC000347306783 386349286 /nfs/dbraw/zinc/34/92/86/386349286.db2.gz WSXOZQRHGHEDAY-UHFFFAOYSA-N 1 2 242.313 2.991 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1ccncc1 ZINC000436469493 386350091 /nfs/dbraw/zinc/35/00/91/386350091.db2.gz CGFHYFGYLPXOJA-MWLCHTKSSA-N 1 2 248.355 2.735 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cc(C)n(C)n2)s1 ZINC000336687531 386351856 /nfs/dbraw/zinc/35/18/56/386351856.db2.gz GUDFCWWCCPDCMR-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cc(C)n(C)n2)s1 ZINC000336687531 386351862 /nfs/dbraw/zinc/35/18/62/386351862.db2.gz GUDFCWWCCPDCMR-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO CC(C)[C@@H](NC(=O)[C@@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000276657133 386359026 /nfs/dbraw/zinc/35/90/26/386359026.db2.gz SQPBYXICYRCIHE-VXGBXAGGSA-N 1 2 247.342 2.579 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347391587 386379360 /nfs/dbraw/zinc/37/93/60/386379360.db2.gz SYNYSVXBBMAPCI-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000347391587 386379366 /nfs/dbraw/zinc/37/93/66/386379366.db2.gz SYNYSVXBBMAPCI-CYBMUJFWSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000290449627 386436960 /nfs/dbraw/zinc/43/69/60/386436960.db2.gz OLFMCRNIENBMHZ-SWLSCSKDSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000290449627 386436965 /nfs/dbraw/zinc/43/69/65/386436965.db2.gz OLFMCRNIENBMHZ-SWLSCSKDSA-N 1 2 241.338 2.911 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C)no1 ZINC000336718462 386441460 /nfs/dbraw/zinc/44/14/60/386441460.db2.gz GOINVXDAGYOQHG-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCCCC[C@@H]2C)no1 ZINC000336718462 386441465 /nfs/dbraw/zinc/44/14/65/386441465.db2.gz GOINVXDAGYOQHG-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO Cc1cc(NC(=O)N[C@H]2CC[C@H](C)CC2)cc[nH+]1 ZINC000408408887 386447401 /nfs/dbraw/zinc/44/74/01/386447401.db2.gz RKQDYWFICXSPQA-UMSPYCQHSA-N 1 2 247.342 2.512 20 0 BFADLO CCO[C@@H]1C[C@H](Nc2cccc[nH+]2)C12CCC2 ZINC000266006996 386389889 /nfs/dbraw/zinc/38/98/89/386389889.db2.gz MGWWPQQPPLDJGT-NWDGAFQWSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2C)o1 ZINC000298843466 386392234 /nfs/dbraw/zinc/39/22/34/386392234.db2.gz IGIZQSSSYGANIB-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccccc2C)o1 ZINC000298843466 386392237 /nfs/dbraw/zinc/39/22/37/386392237.db2.gz IGIZQSSSYGANIB-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO C[C@@H](CO)[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000226802611 386395403 /nfs/dbraw/zinc/39/54/03/386395403.db2.gz CVIXOSMXNGHUBG-YUMQZZPRSA-N 1 2 248.248 2.529 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)nn1C ZINC000336701540 386404008 /nfs/dbraw/zinc/40/40/08/386404008.db2.gz LQWXOAZHFLTNDE-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)nn1C ZINC000336701540 386404013 /nfs/dbraw/zinc/40/40/13/386404013.db2.gz LQWXOAZHFLTNDE-NSHDSACASA-N 1 2 233.315 2.515 20 0 BFADLO C[C@@H](O)CC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000266191129 386411271 /nfs/dbraw/zinc/41/12/71/386411271.db2.gz BNHFIBJRHFSBOV-SNVBAGLBSA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000277168499 386413079 /nfs/dbraw/zinc/41/30/79/386413079.db2.gz HMOWIIRPYYLSSX-NXEZZACHSA-N 1 2 248.330 2.762 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2)c(C)s1 ZINC000336707682 386415967 /nfs/dbraw/zinc/41/59/67/386415967.db2.gz TUIHHQNRGCYCEO-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2)c(C)s1 ZINC000336707682 386415970 /nfs/dbraw/zinc/41/59/70/386415970.db2.gz TUIHHQNRGCYCEO-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3cccc(C)c3C2)o1 ZINC000277274722 386424856 /nfs/dbraw/zinc/42/48/56/386424856.db2.gz RWPKKYSIXMSEDK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3cccc(C)c3C2)o1 ZINC000277274722 386424865 /nfs/dbraw/zinc/42/48/65/386424865.db2.gz RWPKKYSIXMSEDK-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1F ZINC000164948848 386427821 /nfs/dbraw/zinc/42/78/21/386427821.db2.gz CSFPTIBRTFIRLK-CQSZACIVSA-N 1 2 247.317 2.800 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000290449631 386435619 /nfs/dbraw/zinc/43/56/19/386435619.db2.gz OLFMCRNIENBMHZ-WFASDCNBSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000290449631 386435624 /nfs/dbraw/zinc/43/56/24/386435624.db2.gz OLFMCRNIENBMHZ-WFASDCNBSA-N 1 2 241.338 2.911 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1ccncc1F ZINC000336778565 386466183 /nfs/dbraw/zinc/46/61/83/386466183.db2.gz LQLKFDXVRLPRGO-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1ccncc1F ZINC000336778564 386466214 /nfs/dbraw/zinc/46/62/14/386466214.db2.gz LQLKFDXVRLPRGO-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cn1ccnc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000299635043 386475961 /nfs/dbraw/zinc/47/59/61/386475961.db2.gz UPHIFDUZGUJADT-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cn1ccnc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000299635043 386475967 /nfs/dbraw/zinc/47/59/67/386475967.db2.gz UPHIFDUZGUJADT-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000267058216 386492043 /nfs/dbraw/zinc/49/20/43/386492043.db2.gz GGYKJLWXYARFDI-UHFFFAOYSA-N 1 2 205.305 2.509 20 0 BFADLO CC(C)c1nc(C[NH+]2[C@H](C)CC[C@H]2C)no1 ZINC000123054605 386530043 /nfs/dbraw/zinc/53/00/43/386530043.db2.gz MXOKRETXHKZWOA-NXEZZACHSA-N 1 2 223.320 2.566 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000290580101 386457153 /nfs/dbraw/zinc/45/71/53/386457153.db2.gz BWXKDFVNTCNLJA-HTQZYQBOSA-N 1 2 248.248 2.936 20 0 BFADLO O=C(CC1CC1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000299493036 386458460 /nfs/dbraw/zinc/45/84/60/386458460.db2.gz DCUDHNYZNXGEGT-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO CCn1c[nH+]cc1CN(C)c1ccccc1 ZINC000417701202 386574212 /nfs/dbraw/zinc/57/42/12/386574212.db2.gz NDQAAKQUJZVEKZ-UHFFFAOYSA-N 1 2 215.300 2.539 20 0 BFADLO Cn1c[nH+]cc1CSCc1ccccc1 ZINC000267765450 386580598 /nfs/dbraw/zinc/58/05/98/386580598.db2.gz KAICBIZHWMCMBM-UHFFFAOYSA-N 1 2 218.325 2.854 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CCC2 ZINC000291799920 386584185 /nfs/dbraw/zinc/58/41/85/386584185.db2.gz XCOAVJKGCNOPRR-OAHLLOKOSA-N 1 2 241.338 2.885 20 0 BFADLO Cn1c2c(cccc2F)[nH+]c1N1CCC=C(F)C1 ZINC000337019959 386584794 /nfs/dbraw/zinc/58/47/94/386584794.db2.gz PXKKTEYIFMMGTI-UHFFFAOYSA-N 1 2 249.264 2.776 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000336926867 386553444 /nfs/dbraw/zinc/55/34/44/386553444.db2.gz MHKIQMAYDCFBAP-JOYOIKCWSA-N 1 2 231.343 2.685 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000336926868 386553700 /nfs/dbraw/zinc/55/37/00/386553700.db2.gz MHKIQMAYDCFBAP-SKDRFNHKSA-N 1 2 231.343 2.685 20 0 BFADLO C[C@@H]1CCC[C@H]1[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000336941022 386558613 /nfs/dbraw/zinc/55/86/13/386558613.db2.gz YCDIHROJHCHTPI-MWLCHTKSSA-N 1 2 247.317 2.735 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2ccccn2)o1 ZINC000291725395 386573878 /nfs/dbraw/zinc/57/38/78/386573878.db2.gz NDRXEAXSLOZEBX-UHFFFAOYSA-N 1 2 245.326 2.620 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)s2)n1 ZINC000336782092 386619361 /nfs/dbraw/zinc/61/93/61/386619361.db2.gz WOVQFIFOJFJTDW-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CCO[C@H](CCNc1cccc[nH+]1)C(C)C ZINC000266849119 386619488 /nfs/dbraw/zinc/61/94/88/386619488.db2.gz QEPKEDLLHYLAPU-GFCCVEGCSA-N 1 2 222.332 2.945 20 0 BFADLO Cc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000119573737 386636364 /nfs/dbraw/zinc/63/63/64/386636364.db2.gz LZLGXPGTKLUVDS-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CC[C@H]1CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000292249440 386641848 /nfs/dbraw/zinc/64/18/48/386641848.db2.gz KCTVYQOZZVPVNR-NSHDSACASA-N 1 2 231.343 2.653 20 0 BFADLO CC[C@H]([NH2+]C1CCC(OC)CC1)C(F)(F)F ZINC000336758653 386647089 /nfs/dbraw/zinc/64/70/89/386647089.db2.gz ILCITBKISRGVFL-RTBKNWGFSA-N 1 2 239.281 2.875 20 0 BFADLO CCC1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000267999163 386606791 /nfs/dbraw/zinc/60/67/91/386606791.db2.gz MBUCPSJVUAWTEU-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO CC[N@H+](CC[C@H]1CCOC1=O)c1ccccc1C ZINC000267986532 386607677 /nfs/dbraw/zinc/60/76/77/386607677.db2.gz PTHHOQGJXOOLLJ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@@H+](CC[C@H]1CCOC1=O)c1ccccc1C ZINC000267986532 386607684 /nfs/dbraw/zinc/60/76/84/386607684.db2.gz PTHHOQGJXOOLLJ-ZDUSSCGKSA-N 1 2 247.338 2.775 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000353184378 386611204 /nfs/dbraw/zinc/61/12/04/386611204.db2.gz AUPVWROWIWNYSY-NSHDSACASA-N 1 2 211.255 2.916 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353184378 386611207 /nfs/dbraw/zinc/61/12/07/386611207.db2.gz AUPVWROWIWNYSY-NSHDSACASA-N 1 2 211.255 2.916 20 0 BFADLO CCC1(CC)CCN(c2cc[nH+]c(C)n2)C1 ZINC000268047522 386612602 /nfs/dbraw/zinc/61/26/02/386612602.db2.gz QVOPASILQWSNRV-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CCN(C[C@@H](C)OC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000292352287 386655295 /nfs/dbraw/zinc/65/52/95/386655295.db2.gz OILKJJIFDYOSNQ-LLVKDONJSA-N 1 2 249.358 2.524 20 0 BFADLO CCC1(C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000292382585 386659434 /nfs/dbraw/zinc/65/94/34/386659434.db2.gz QGLHJFWHACFOLK-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO Cc1ccoc1C[N@@H+](C)[C@H](C)c1cnccn1 ZINC000292444909 386670828 /nfs/dbraw/zinc/67/08/28/386670828.db2.gz XJPHBHXWLLIXGR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccoc1C[N@H+](C)[C@H](C)c1cnccn1 ZINC000292444909 386670833 /nfs/dbraw/zinc/67/08/33/386670833.db2.gz XJPHBHXWLLIXGR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000050499401 386674628 /nfs/dbraw/zinc/67/46/28/386674628.db2.gz PALKZHFWSIRXLN-AAEUAGOBSA-N 1 2 235.327 2.535 20 0 BFADLO Cc1noc(C)c1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335532578 386683838 /nfs/dbraw/zinc/68/38/38/386683838.db2.gz WQYOZHBCOKACIB-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C2CC(C)C2)cc1 ZINC000648059612 386685746 /nfs/dbraw/zinc/68/57/46/386685746.db2.gz XWCMRHJVJGJGTJ-UHFFFAOYSA-N 1 2 242.326 2.786 20 0 BFADLO COc1ccc2[nH+]c(NCC[C@@H](C)F)ccc2c1 ZINC000645048804 386690827 /nfs/dbraw/zinc/69/08/27/386690827.db2.gz JBOQVOSLVVVVMF-SNVBAGLBSA-N 1 2 248.301 2.825 20 0 BFADLO C[C@H](Nc1cc(N[C@@H](C)C2CC2)[nH+]cn1)C1CC1 ZINC000121240147 386692448 /nfs/dbraw/zinc/69/24/48/386692448.db2.gz SYSJKMSKMMEGRH-UWVGGRQHSA-N 1 2 246.358 2.897 20 0 BFADLO FC(F)[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000292594411 386695843 /nfs/dbraw/zinc/69/58/43/386695843.db2.gz DFBKFHWDSCLRCH-VXGBXAGGSA-N 1 2 241.281 2.761 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357028663 386696197 /nfs/dbraw/zinc/69/61/97/386696197.db2.gz BPTBIYBHEBVZLB-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357028663 386696202 /nfs/dbraw/zinc/69/62/02/386696202.db2.gz BPTBIYBHEBVZLB-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO FC(F)[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000292594403 386697724 /nfs/dbraw/zinc/69/77/24/386697724.db2.gz DFBKFHWDSCLRCH-NWDGAFQWSA-N 1 2 241.281 2.761 20 0 BFADLO FC(F)[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000292594398 386697903 /nfs/dbraw/zinc/69/79/03/386697903.db2.gz DFBKFHWDSCLRCH-NEPJUHHUSA-N 1 2 241.281 2.761 20 0 BFADLO Cc1nc(N[C@@H](C2CC2)C2CCC2)cc[nH+]1 ZINC000324951461 386702586 /nfs/dbraw/zinc/70/25/86/386702586.db2.gz BOSMQOAGZBILEB-CYBMUJFWSA-N 1 2 217.316 2.776 20 0 BFADLO CC[C@@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000093107669 386708767 /nfs/dbraw/zinc/70/87/67/386708767.db2.gz VUGKBQZLAOKZPD-SNVBAGLBSA-N 1 2 207.321 2.606 20 0 BFADLO O[C@H]1C[N@@H+]([C@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128457 386739799 /nfs/dbraw/zinc/73/97/99/386739799.db2.gz WVPVTEIEPVGLIH-NWDGAFQWSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@H]1C[N@H+]([C@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128457 386739806 /nfs/dbraw/zinc/73/98/06/386739806.db2.gz WVPVTEIEPVGLIH-NWDGAFQWSA-N 1 2 245.313 2.577 20 0 BFADLO CC(C)n1nccc1C[NH+]1Cc2ccccc2C1 ZINC000279635173 386712992 /nfs/dbraw/zinc/71/29/92/386712992.db2.gz LGFSQMJCJQVVRU-UHFFFAOYSA-N 1 2 241.338 2.980 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526970423 386713217 /nfs/dbraw/zinc/71/32/17/386713217.db2.gz MAEUHBKDGDSDHP-AWEZNQCLSA-N 1 2 249.329 2.870 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526970423 386713224 /nfs/dbraw/zinc/71/32/24/386713224.db2.gz MAEUHBKDGDSDHP-AWEZNQCLSA-N 1 2 249.329 2.870 20 0 BFADLO Cc1ccccc1[C@H]1C[N@H+](CC2(F)CC2)CCO1 ZINC000526970424 386715441 /nfs/dbraw/zinc/71/54/41/386715441.db2.gz MAEUHBKDGDSDHP-CQSZACIVSA-N 1 2 249.329 2.870 20 0 BFADLO Cc1ccccc1[C@H]1C[N@@H+](CC2(F)CC2)CCO1 ZINC000526970424 386715448 /nfs/dbraw/zinc/71/54/48/386715448.db2.gz MAEUHBKDGDSDHP-CQSZACIVSA-N 1 2 249.329 2.870 20 0 BFADLO Cc1cn2c(n1)C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000645117462 386729418 /nfs/dbraw/zinc/72/94/18/386729418.db2.gz JQIAMNHAVJARPP-AWEZNQCLSA-N 1 2 245.370 2.896 20 0 BFADLO Cc1cn2c(n1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000645117462 386729422 /nfs/dbraw/zinc/72/94/22/386729422.db2.gz JQIAMNHAVJARPP-AWEZNQCLSA-N 1 2 245.370 2.896 20 0 BFADLO O=C1CCCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000248068887 386744851 /nfs/dbraw/zinc/74/48/51/386744851.db2.gz XEMXLZGXGFDNKW-GFCCVEGCSA-N 1 2 246.335 2.938 20 0 BFADLO Cn1cc[nH+]c1CSCCC(F)(F)F ZINC000279982210 386762793 /nfs/dbraw/zinc/76/27/93/386762793.db2.gz PZPYVFGZWMGWNB-UHFFFAOYSA-N 1 2 224.251 2.606 20 0 BFADLO CCOc1cc(C)ccc1C[NH2+]Cc1cocn1 ZINC000192324743 386765414 /nfs/dbraw/zinc/76/54/14/386765414.db2.gz PLCZZBDGQYEKGN-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CC1(C)Cc2cc(NCc3[nH]cc[nH+]3)ccc2O1 ZINC000269432282 386793095 /nfs/dbraw/zinc/79/30/95/386793095.db2.gz HEPQKJGKGHVWLT-UHFFFAOYSA-N 1 2 243.310 2.735 20 0 BFADLO CCCC[N@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000280029074 386770324 /nfs/dbraw/zinc/77/03/24/386770324.db2.gz NCMGGGCDVDAOKI-NSHDSACASA-N 1 2 241.356 2.694 20 0 BFADLO CCCC[N@@H+](C)[C@H](C(=O)OC)c1ccsc1 ZINC000280029074 386770328 /nfs/dbraw/zinc/77/03/28/386770328.db2.gz NCMGGGCDVDAOKI-NSHDSACASA-N 1 2 241.356 2.694 20 0 BFADLO C[C@H](C[C@H](C)O)Nc1[nH+]ccc2ccc(F)cc21 ZINC000340778765 386771320 /nfs/dbraw/zinc/77/13/20/386771320.db2.gz LWJOGQKHFYDDPP-ZJUUUORDSA-N 1 2 248.301 2.945 20 0 BFADLO CC(C)[C@H]1[N@H+](Cc2csnn2)CC12CC=CC2 ZINC000648072742 386796462 /nfs/dbraw/zinc/79/64/62/386796462.db2.gz PKIFGXXQOINELH-GFCCVEGCSA-N 1 2 249.383 2.715 20 0 BFADLO CC(C)[C@H]1[N@@H+](Cc2csnn2)CC12CC=CC2 ZINC000648072742 386796467 /nfs/dbraw/zinc/79/64/67/386796467.db2.gz PKIFGXXQOINELH-GFCCVEGCSA-N 1 2 249.383 2.715 20 0 BFADLO Cc1cccc([C@@H](C)N2CCn3c[nH+]cc3C2)c1 ZINC000647939229 386821022 /nfs/dbraw/zinc/82/10/22/386821022.db2.gz GUPNBFPHIGAUIV-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccsc1C[NH2+][C@H](C)c1csnn1 ZINC000398434837 386823675 /nfs/dbraw/zinc/82/36/75/386823675.db2.gz WRRRINYIVIYVSU-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cc(N[C@H]2CC[C@H](F)C2)nc(C(C)C)[nH+]1 ZINC000340961012 386808018 /nfs/dbraw/zinc/80/80/18/386808018.db2.gz LPARDUJYUMQBIU-QWRGUYRKSA-N 1 2 237.322 2.633 20 0 BFADLO Cc1ccsc1C[NH2+][C@@H](C)c1csnn1 ZINC000398434838 386824410 /nfs/dbraw/zinc/82/44/10/386824410.db2.gz WRRRINYIVIYVSU-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO COC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000021515846 386825054 /nfs/dbraw/zinc/82/50/54/386825054.db2.gz XVFFPMWHLDUMQI-SNVBAGLBSA-N 1 2 216.284 2.682 20 0 BFADLO CC(C)c1nc(N(C)CCC(F)(F)F)cc[nH+]1 ZINC000301262850 386827619 /nfs/dbraw/zinc/82/76/19/386827619.db2.gz LSILWLIJCNKKHZ-UHFFFAOYSA-N 1 2 247.264 2.989 20 0 BFADLO c1nc(NC2CCCC2)cc(NCC2CC2)[nH+]1 ZINC000301263697 386829465 /nfs/dbraw/zinc/82/94/65/386829465.db2.gz DTZFRVDIEKGRDP-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO c1nc(NCC2CC2)cc(NC2CCCC2)[nH+]1 ZINC000301263697 386829474 /nfs/dbraw/zinc/82/94/74/386829474.db2.gz DTZFRVDIEKGRDP-UHFFFAOYSA-N 1 2 232.331 2.653 20 0 BFADLO C[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)[C@H]1C ZINC000293559014 386836166 /nfs/dbraw/zinc/83/61/66/386836166.db2.gz ZYFSYGAQHIAADR-MNOVXSKESA-N 1 2 243.310 2.577 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@H]1C ZINC000293559014 386836169 /nfs/dbraw/zinc/83/61/69/386836169.db2.gz ZYFSYGAQHIAADR-MNOVXSKESA-N 1 2 243.310 2.577 20 0 BFADLO CCc1cc(CNc2cc[nH+]c(C(C)C)n2)on1 ZINC000301371567 386839397 /nfs/dbraw/zinc/83/93/97/386839397.db2.gz UAVRLVMPMNQCHX-UHFFFAOYSA-N 1 2 246.314 2.763 20 0 BFADLO c1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000301399521 386840327 /nfs/dbraw/zinc/84/03/27/386840327.db2.gz BEFGFPKLKKPMFY-BETUJISGSA-N 1 2 241.338 2.756 20 0 BFADLO CC(C)(C)c1nc(NCc2ccco2)cc[nH+]1 ZINC000301449249 386842015 /nfs/dbraw/zinc/84/20/15/386842015.db2.gz SGNIGJDJURGJRR-UHFFFAOYSA-N 1 2 231.299 2.979 20 0 BFADLO Nc1nc(N[C@@H]2CC=CCC2)[nH+]c2ccccc12 ZINC000301928396 386891332 /nfs/dbraw/zinc/89/13/32/386891332.db2.gz ZOSJPVZOIHXZKI-SNVBAGLBSA-N 1 2 240.310 2.733 20 0 BFADLO CC(C)(C)c1nc(NC[C@@H]2CCCOC2)cc[nH+]1 ZINC000301563326 386857075 /nfs/dbraw/zinc/85/70/75/386857075.db2.gz YMOXKODOZGZOTK-NSHDSACASA-N 1 2 249.358 2.613 20 0 BFADLO CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000293675782 386858186 /nfs/dbraw/zinc/85/81/86/386858186.db2.gz KATZSGOHKZPLJH-STQMWFEESA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cc(F)c(C[NH+]2CC(C)C2)c(F)c1 ZINC000425346581 386858483 /nfs/dbraw/zinc/85/84/83/386858483.db2.gz WOLVLXNSVSPLIG-UHFFFAOYSA-N 1 2 211.255 2.725 20 0 BFADLO Cc1ccc(N[C@H](C)c2cc3n(n2)CCC3)c[nH+]1 ZINC000334827170 386863210 /nfs/dbraw/zinc/86/32/10/386863210.db2.gz ZJHKAIKQHDIQKG-LLVKDONJSA-N 1 2 242.326 2.706 20 0 BFADLO Cc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)no1 ZINC000425349194 386865916 /nfs/dbraw/zinc/86/59/16/386865916.db2.gz GEXXTPBNTKABJO-UONOGXRCSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1ccc2c(c1)[C@@H](Nc1cc(C)[nH+]cn1)CO2 ZINC000301687164 386868127 /nfs/dbraw/zinc/86/81/27/386868127.db2.gz VZAOMOFUNYXCID-LBPRGKRZSA-N 1 2 241.294 2.639 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2ccc(C)c(C)c2)n1 ZINC000357962553 386873707 /nfs/dbraw/zinc/87/37/07/386873707.db2.gz DBBNKROBDAATQW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2ccc(C)c(C)c2)n1 ZINC000357962553 386873712 /nfs/dbraw/zinc/87/37/12/386873712.db2.gz DBBNKROBDAATQW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000301830421 386881954 /nfs/dbraw/zinc/88/19/54/386881954.db2.gz PQRUAQTZIWNTOK-LLVKDONJSA-N 1 2 248.374 2.781 20 0 BFADLO CC[C@@H](C)CN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000301830421 386881959 /nfs/dbraw/zinc/88/19/59/386881959.db2.gz PQRUAQTZIWNTOK-LLVKDONJSA-N 1 2 248.374 2.781 20 0 BFADLO Cc1ncoc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335758772 386887052 /nfs/dbraw/zinc/88/70/52/386887052.db2.gz ICFHFHWUOODKHP-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO CCCCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301884405 386887194 /nfs/dbraw/zinc/88/71/94/386887194.db2.gz NZMUVSXPQABKAO-UHFFFAOYSA-N 1 2 230.315 2.814 20 0 BFADLO COc1cc[nH+]cc1CN(C#N)c1ccccc1 ZINC000341346312 386887250 /nfs/dbraw/zinc/88/72/50/386887250.db2.gz GAYVHQNFLUFVMX-UHFFFAOYSA-N 1 2 239.278 2.578 20 0 BFADLO CN(C[C@@H]1CCCCO1)c1[nH]c2ccccc2[nH+]1 ZINC000301898925 386889561 /nfs/dbraw/zinc/88/95/61/386889561.db2.gz XKCXVNDBKTZPPE-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO FC[C@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000334859947 386913780 /nfs/dbraw/zinc/91/37/80/386913780.db2.gz QRJJTSJWHIHNIA-LBPRGKRZSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000334859947 386913783 /nfs/dbraw/zinc/91/37/83/386913783.db2.gz QRJJTSJWHIHNIA-LBPRGKRZSA-N 1 2 249.285 2.603 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2nccc(C)n2)c(C)o1 ZINC000330851532 386914285 /nfs/dbraw/zinc/91/42/85/386914285.db2.gz LTIZPVCLLWPJRR-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(NC[C@H]2CC=CCC2)nc(C2CC2)[nH+]1 ZINC000341508649 386914515 /nfs/dbraw/zinc/91/45/15/386914515.db2.gz WIKFSQKPWOOSCR-LBPRGKRZSA-N 1 2 243.354 2.853 20 0 BFADLO CC(C)c1nc(NCC[C@H]2CCCCO2)cc[nH+]1 ZINC000302067067 386900635 /nfs/dbraw/zinc/90/06/35/386900635.db2.gz WMIOYWICVDCZEF-GFCCVEGCSA-N 1 2 249.358 2.971 20 0 BFADLO CC[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302093775 386902261 /nfs/dbraw/zinc/90/22/61/386902261.db2.gz NCPKLTYKZULMGP-LBPRGKRZSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1cc(N2Cc3ccccc3[C@@H]2C)nc[nH+]1 ZINC000335763227 386902491 /nfs/dbraw/zinc/90/24/91/386902491.db2.gz JVPSACQYCVMFOQ-NSHDSACASA-N 1 2 225.295 2.866 20 0 BFADLO CCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CCCCC1 ZINC000358184992 386909692 /nfs/dbraw/zinc/90/96/92/386909692.db2.gz KOTZMGSEAJCXQO-UHFFFAOYSA-N 1 2 249.358 2.808 20 0 BFADLO Cc1cc(NCC[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000358197590 386910947 /nfs/dbraw/zinc/91/09/47/386910947.db2.gz UAORZXBEIPBXKT-YPMHNXCESA-N 1 2 233.359 2.835 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341494913 386912192 /nfs/dbraw/zinc/91/21/92/386912192.db2.gz YOCAOBUQFKXUPP-KOLCDFICSA-N 1 2 233.359 2.931 20 0 BFADLO Cc1cc(N(C)C[C@H]2CC=CCC2)nc[nH+]1 ZINC000302195218 386912550 /nfs/dbraw/zinc/91/25/50/386912550.db2.gz XEXZYIQWUHSSRH-LBPRGKRZSA-N 1 2 217.316 2.578 20 0 BFADLO c1cc2c(cc1NC[C@@H]1CCCOC1)CCC[NH2+]2 ZINC000334865484 386921504 /nfs/dbraw/zinc/92/15/04/386921504.db2.gz UNAFHXPNDLOCJI-LBPRGKRZSA-N 1 2 246.354 2.883 20 0 BFADLO COc1cc(Nc2cc(C)[nH+]c(C)n2)ccc1F ZINC000302531379 386925172 /nfs/dbraw/zinc/92/51/72/386925172.db2.gz LHPIDZAAAIPEIV-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1cc(N[C@@H]2CCCO[C@@H]2CC(C)C)nc[nH+]1 ZINC000302483241 386925785 /nfs/dbraw/zinc/92/57/85/386925785.db2.gz RRMGCOLJQMJLNI-CHWSQXEVSA-N 1 2 249.358 2.791 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)[C@@H](O)c1ccc(F)cc1 ZINC000302675198 386929963 /nfs/dbraw/zinc/92/99/63/386929963.db2.gz PPKHYKKQGFULIJ-IINYFYTJSA-N 1 2 246.285 2.755 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cccnc2)o1 ZINC000334872938 386933673 /nfs/dbraw/zinc/93/36/73/386933673.db2.gz WVZFRWLZLYLKPF-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cccnc2)o1 ZINC000334872938 386933679 /nfs/dbraw/zinc/93/36/79/386933679.db2.gz WVZFRWLZLYLKPF-ZDUSSCGKSA-N 1 2 243.310 2.715 20 0 BFADLO CO[C@H]1CC[C@@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000302743335 386933760 /nfs/dbraw/zinc/93/37/60/386933760.db2.gz DKONLKKLNMPKLG-MNOVXSKESA-N 1 2 235.331 2.579 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@@H]2c2cccs2)[nH]1 ZINC000335876707 386942311 /nfs/dbraw/zinc/94/23/11/386942311.db2.gz DIXTXYNTFNUHHT-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@@H]2c2cccs2)[nH]1 ZINC000335876707 386942315 /nfs/dbraw/zinc/94/23/15/386942315.db2.gz DIXTXYNTFNUHHT-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)[C@@H]1C ZINC000336763298 386956046 /nfs/dbraw/zinc/95/60/46/386956046.db2.gz OYSKDFZPMPUCCE-XFFJFQIUSA-N 1 2 221.266 2.961 20 0 BFADLO C(c1noc(C2CC2)n1)[NH+]1CCC(C2CC2)CC1 ZINC000368334010 386961828 /nfs/dbraw/zinc/96/18/28/386961828.db2.gz VFWATZJOINFBGD-UHFFFAOYSA-N 1 2 247.342 2.569 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)C(C)C)no1 ZINC000341823858 386969565 /nfs/dbraw/zinc/96/95/65/386969565.db2.gz CLIJKSMXEYVGMI-SNVBAGLBSA-N 1 2 225.336 2.669 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@H](C)C(C)C)no1 ZINC000341823858 386969569 /nfs/dbraw/zinc/96/95/69/386969569.db2.gz CLIJKSMXEYVGMI-SNVBAGLBSA-N 1 2 225.336 2.669 20 0 BFADLO C[C@H](CCn1cc[nH+]c1)OCc1ccccc1 ZINC000352933218 386970294 /nfs/dbraw/zinc/97/02/94/386970294.db2.gz WMYQPQDANSAIOU-CYBMUJFWSA-N 1 2 230.311 2.879 20 0 BFADLO Oc1cc(F)cc(C[NH+]2CC(CC(F)F)C2)c1 ZINC000425364650 386975202 /nfs/dbraw/zinc/97/52/02/386975202.db2.gz GWMGZCSQIPNTLW-UHFFFAOYSA-N 1 2 245.244 2.618 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CCC1CCCCC1 ZINC000266971521 386997923 /nfs/dbraw/zinc/99/79/23/386997923.db2.gz LXOJDIKPHXXPKF-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO CO[C@H]1CCC[C@@H](Nc2c[nH+]cc(N(C)C)c2)C1 ZINC000639363662 387043836 /nfs/dbraw/zinc/04/38/36/387043836.db2.gz DLNATZMQOIELGX-RISCZKNCSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000333740226 387054518 /nfs/dbraw/zinc/05/45/18/387054518.db2.gz MGNRYXQBAOCZRU-ZSBIGDGJSA-N 1 2 245.326 2.618 20 0 BFADLO CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000334006902 387058605 /nfs/dbraw/zinc/05/86/05/387058605.db2.gz XMDSXOJKHRISFY-PWSUYJOCSA-N 1 2 249.358 2.758 20 0 BFADLO CCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110110676 387060348 /nfs/dbraw/zinc/06/03/48/387060348.db2.gz SYZPXONAOVWKHG-UHFFFAOYSA-N 1 2 205.305 2.956 20 0 BFADLO CC(C)(C)c1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000336222819 387061014 /nfs/dbraw/zinc/06/10/14/387061014.db2.gz NUGBFZSDGJHKKK-SECBINFHSA-N 1 2 242.363 2.984 20 0 BFADLO CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000336222819 387061017 /nfs/dbraw/zinc/06/10/17/387061017.db2.gz NUGBFZSDGJHKKK-SECBINFHSA-N 1 2 242.363 2.984 20 0 BFADLO CSc1ccc(N[C@H]2CSC[C@@H]2C)[nH+]c1 ZINC000336222267 387061214 /nfs/dbraw/zinc/06/12/14/387061214.db2.gz RHWYWHPDIDTOIB-WPRPVWTQSA-N 1 2 240.397 2.967 20 0 BFADLO Cc1ccc(CS[C@@H](C)[C@H](C)O)c(C)[nH+]1 ZINC000358788041 387013348 /nfs/dbraw/zinc/01/33/48/387013348.db2.gz UZSUYTKANGZBTD-QWRGUYRKSA-N 1 2 225.357 2.701 20 0 BFADLO CC(=O)[C@@H](C)SCc1ccc(C)[nH+]c1C ZINC000358785789 387013377 /nfs/dbraw/zinc/01/33/77/387013377.db2.gz NWPWMKYPOKYOLE-LLVKDONJSA-N 1 2 223.341 2.909 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)CC1 ZINC000117346049 387018339 /nfs/dbraw/zinc/01/83/39/387018339.db2.gz RAHPCSZVKHCVHJ-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)CC1 ZINC000117346049 387018347 /nfs/dbraw/zinc/01/83/47/387018347.db2.gz RAHPCSZVKHCVHJ-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO c1cn(-c2nc(C3CCCCC3)ns2)c[nH+]1 ZINC000334986489 387073335 /nfs/dbraw/zinc/07/33/35/387073335.db2.gz QNXJXMMNSWTEID-UHFFFAOYSA-N 1 2 234.328 2.772 20 0 BFADLO COC(=O)C1([NH2+]Cc2ccccc2C)CCCC1 ZINC000118862268 387077508 /nfs/dbraw/zinc/07/75/08/387077508.db2.gz RSUSPDOYUTVYRM-UHFFFAOYSA-N 1 2 247.338 2.570 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000336259752 387088961 /nfs/dbraw/zinc/08/89/61/387088961.db2.gz RTANNTRWWKLVAR-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000336259752 387088966 /nfs/dbraw/zinc/08/89/66/387088966.db2.gz RTANNTRWWKLVAR-GFCCVEGCSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000336259596 387090696 /nfs/dbraw/zinc/09/06/96/387090696.db2.gz NIQQNEJHYIZVKS-SECBINFHSA-N 1 2 236.315 2.840 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000336259596 387090699 /nfs/dbraw/zinc/09/06/99/387090699.db2.gz NIQQNEJHYIZVKS-SECBINFHSA-N 1 2 236.315 2.840 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119036326 387092162 /nfs/dbraw/zinc/09/21/62/387092162.db2.gz NUHHWQBWRWMGPF-BXUZGUMPSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccccn2)o1 ZINC000228577355 387092438 /nfs/dbraw/zinc/09/24/38/387092438.db2.gz BBOIPWQSBCVOTR-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccnc2)o1 ZINC000228568702 387103377 /nfs/dbraw/zinc/10/33/77/387103377.db2.gz JBXZPVZJODNCAE-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCC[C@@](C)(F)C1 ZINC000336270226 387104118 /nfs/dbraw/zinc/10/41/18/387104118.db2.gz VYVJMNUQMCEXOP-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336270226 387104121 /nfs/dbraw/zinc/10/41/21/387104121.db2.gz VYVJMNUQMCEXOP-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1ccnc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC000336270226 387104126 /nfs/dbraw/zinc/10/41/26/387104126.db2.gz VYVJMNUQMCEXOP-CYBMUJFWSA-N 1 2 239.338 2.788 20 0 BFADLO Cc1[nH]ncc1C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353091645 387115004 /nfs/dbraw/zinc/11/50/04/387115004.db2.gz CHCVVQALAPOYAD-UHFFFAOYSA-N 1 2 247.264 2.540 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnn2ccccc12 ZINC000071413882 387123609 /nfs/dbraw/zinc/12/36/09/387123609.db2.gz FYVWHVCCKWRTOT-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC12CCCC2 ZINC000336228541 387068154 /nfs/dbraw/zinc/06/81/54/387068154.db2.gz GHMYNBXGRIAOEQ-LBPRGKRZSA-N 1 2 244.338 2.585 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCC[C@H]1C(F)F ZINC000353173794 387150221 /nfs/dbraw/zinc/15/02/21/387150221.db2.gz PKHZTARCWFSJJL-JTQLQIEISA-N 1 2 243.301 2.694 20 0 BFADLO c1nc(C[N@@H+]2CCC[C@H]2c2cccnc2)cs1 ZINC000336324261 387151988 /nfs/dbraw/zinc/15/19/88/387151988.db2.gz BNWXUWVHTUWFDN-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO c1nc(C[N@H+]2CCC[C@H]2c2cccnc2)cs1 ZINC000336324261 387151990 /nfs/dbraw/zinc/15/19/90/387151990.db2.gz BNWXUWVHTUWFDN-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO CC[C@H](C)C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187076651 387156949 /nfs/dbraw/zinc/15/69/49/387156949.db2.gz WRUXOYYAUKJUFT-QFYYESIMSA-N 1 2 239.384 2.993 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCCC[C@@H]2C)no1 ZINC000336338578 387162620 /nfs/dbraw/zinc/16/26/20/387162620.db2.gz NAIFDIOGSBAOBV-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCCC[C@@H]2C)no1 ZINC000336338578 387162626 /nfs/dbraw/zinc/16/26/26/387162626.db2.gz NAIFDIOGSBAOBV-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@H](C)n1ncc(NCc2[nH+]ccn2C)c1C ZINC000359820577 387168967 /nfs/dbraw/zinc/16/89/67/387168967.db2.gz UNCWQFGELPRCSW-JTQLQIEISA-N 1 2 247.346 2.508 20 0 BFADLO Cc1cc(NC(=O)NCCCC2CC2)cc[nH+]1 ZINC000119499364 387138140 /nfs/dbraw/zinc/13/81/40/387138140.db2.gz SNHDUCJIVOGWQT-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO CC[N@H+](C[C@H]1CCOC1)c1cccc(C)c1 ZINC000353463873 387208197 /nfs/dbraw/zinc/20/81/97/387208197.db2.gz RZIGCCUORUICQC-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@H]1CCOC1)c1cccc(C)c1 ZINC000353463873 387208202 /nfs/dbraw/zinc/20/82/02/387208202.db2.gz RZIGCCUORUICQC-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1c(F)cncc1F ZINC000336387617 387217261 /nfs/dbraw/zinc/21/72/61/387217261.db2.gz GFKWMLHXOTWSKF-QMMMGPOBSA-N 1 2 235.237 2.928 20 0 BFADLO Cc1cnc(C[NH2+]C(C)(C)c2ccc(C)nc2)o1 ZINC000353583766 387235236 /nfs/dbraw/zinc/23/52/36/387235236.db2.gz ZCAWONBPWIFGJM-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cc1cn2c(n1)C[N@H+]([C@@H](C)c1ccccc1)CC2 ZINC000371701433 387241955 /nfs/dbraw/zinc/24/19/55/387241955.db2.gz TYYOECFEPCHVGD-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cn2c(n1)C[N@@H+]([C@@H](C)c1ccccc1)CC2 ZINC000371701433 387241960 /nfs/dbraw/zinc/24/19/60/387241960.db2.gz TYYOECFEPCHVGD-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1c(C)noc1C ZINC000161641951 387250641 /nfs/dbraw/zinc/25/06/41/387250641.db2.gz MFTKKZVAWHQENB-LLVKDONJSA-N 1 2 246.314 2.953 20 0 BFADLO CCC1(C)CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000359953835 387200269 /nfs/dbraw/zinc/20/02/69/387200269.db2.gz GDLABYQMXOPLQI-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO C=Cc1ccc(CCNc2cc[nH+]c(C)n2)cc1 ZINC000359954307 387200458 /nfs/dbraw/zinc/20/04/58/387200458.db2.gz MHMQXZDVMKTQLN-UHFFFAOYSA-N 1 2 239.322 2.505 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)s1 ZINC000371371664 387200619 /nfs/dbraw/zinc/20/06/19/387200619.db2.gz CUAVOVNLTZAYOL-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)s1 ZINC000371371664 387200624 /nfs/dbraw/zinc/20/06/24/387200624.db2.gz CUAVOVNLTZAYOL-LLVKDONJSA-N 1 2 249.339 2.777 20 0 BFADLO Cc1cc(N[C@H](C)c2cn[nH]c2)nc(C(C)C)[nH+]1 ZINC000229871416 387200681 /nfs/dbraw/zinc/20/06/81/387200681.db2.gz CNIFOLKYFBWBSO-SNVBAGLBSA-N 1 2 245.330 2.805 20 0 BFADLO CC[C@H]1CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000336426831 387255494 /nfs/dbraw/zinc/25/54/94/387255494.db2.gz UOLAVNMTWLQGKW-JTQLQIEISA-N 1 2 230.315 2.503 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ccon2)c(C)n1 ZINC000360329155 387263578 /nfs/dbraw/zinc/26/35/78/387263578.db2.gz KDPMSVYCHQRJIV-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000336462947 387292687 /nfs/dbraw/zinc/29/26/87/387292687.db2.gz UHPRVXVOOUCAID-PSASIEDQSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc[nH]n1 ZINC000336462947 387292692 /nfs/dbraw/zinc/29/26/92/387292692.db2.gz UHPRVXVOOUCAID-PSASIEDQSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1cc(C)c(NC(=O)c2cccnc2)c(C)[nH+]1 ZINC000121108266 387302411 /nfs/dbraw/zinc/30/24/11/387302411.db2.gz DSGFSBIUYSQIQJ-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO CCO[C@H](C)c1nccn1Cc1c[nH+]ccc1C ZINC000360561644 387309114 /nfs/dbraw/zinc/30/91/14/387309114.db2.gz JKZTZLIJSGGZAX-GFCCVEGCSA-N 1 2 245.326 2.732 20 0 BFADLO C[C@H](CCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354343179 387362874 /nfs/dbraw/zinc/36/28/74/387362874.db2.gz KGSBOJFGADBFLM-SECBINFHSA-N 1 2 234.274 2.557 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)no1 ZINC000336542228 387363173 /nfs/dbraw/zinc/36/31/73/387363173.db2.gz DBWNGZRDKONDCI-WCBMZHEXSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)no1 ZINC000336542228 387363176 /nfs/dbraw/zinc/36/31/76/387363176.db2.gz DBWNGZRDKONDCI-WCBMZHEXSA-N 1 2 248.248 2.756 20 0 BFADLO CC(C)c1nc(N2C[C@H](C)C[C@H]2C)cc[nH+]1 ZINC000354353998 387364078 /nfs/dbraw/zinc/36/40/78/387364078.db2.gz RFSYOGQYWIFMGE-GHMZBOCLSA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000354354015 387364248 /nfs/dbraw/zinc/36/42/48/387364248.db2.gz RFSYOGQYWIFMGE-WDEREUQCSA-N 1 2 219.332 2.835 20 0 BFADLO Cc1nc(N(C)Cc2ccccc2F)cc[nH+]1 ZINC000360972437 387377114 /nfs/dbraw/zinc/37/71/14/387377114.db2.gz ACKGRYJMXYHDFR-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cc(F)ccc1F ZINC000354044633 387319510 /nfs/dbraw/zinc/31/95/10/387319510.db2.gz LACJRJRHVCJMAU-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cc(F)ccc1F ZINC000354044633 387319515 /nfs/dbraw/zinc/31/95/15/387319515.db2.gz LACJRJRHVCJMAU-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO CC1(C)CC(C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000354106863 387330363 /nfs/dbraw/zinc/33/03/63/387330363.db2.gz HSXKDYLHSNYKPJ-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2F)n1 ZINC000352590862 387344559 /nfs/dbraw/zinc/34/45/59/387344559.db2.gz PNIOFEZDPXBGBY-BDAKNGLRSA-N 1 2 249.289 2.929 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360763630 387348527 /nfs/dbraw/zinc/34/85/27/387348527.db2.gz ODENMZVMZUNTHM-WOPDTQHZSA-N 1 2 247.342 2.509 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC000084221041 387441554 /nfs/dbraw/zinc/44/15/54/387441554.db2.gz RXTFQSMDWAOUJU-LBPRGKRZSA-N 1 2 249.354 2.849 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000084221041 387441557 /nfs/dbraw/zinc/44/15/57/387441557.db2.gz RXTFQSMDWAOUJU-LBPRGKRZSA-N 1 2 249.354 2.849 20 0 BFADLO C[C@@H](CC(=O)N[C@@H](C)C1CCCC1)n1cc[nH+]c1 ZINC000516071409 387449997 /nfs/dbraw/zinc/44/99/97/387449997.db2.gz JUSBALOHGSODND-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2CF)cn1 ZINC000354521807 387387724 /nfs/dbraw/zinc/38/77/24/387387724.db2.gz OPINGWWQJXBOAZ-LBPRGKRZSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2CF)cn1 ZINC000354521807 387387730 /nfs/dbraw/zinc/38/77/30/387387730.db2.gz OPINGWWQJXBOAZ-LBPRGKRZSA-N 1 2 239.338 2.572 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](F)C1 ZINC000336561805 387390084 /nfs/dbraw/zinc/39/00/84/387390084.db2.gz NFWKCCZCOLVRBQ-SNVBAGLBSA-N 1 2 233.290 2.512 20 0 BFADLO CCCn1cc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000352645422 387405401 /nfs/dbraw/zinc/40/54/01/387405401.db2.gz TWZLWYUAYMOGFT-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCCn1cc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000352645422 387405404 /nfs/dbraw/zinc/40/54/04/387405404.db2.gz TWZLWYUAYMOGFT-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO Cc1cc(NC(=O)C[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000516379511 387501925 /nfs/dbraw/zinc/50/19/25/387501925.db2.gz PXCQDNIDQMMWAD-DGCLKSJQSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1cc(NC(=O)C[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000516379505 387502010 /nfs/dbraw/zinc/50/20/10/387502010.db2.gz PXCQDNIDQMMWAD-AAEUAGOBSA-N 1 2 246.354 2.967 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000355367725 387528231 /nfs/dbraw/zinc/52/82/31/387528231.db2.gz QBLJONJNZPJQJI-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000355367725 387528234 /nfs/dbraw/zinc/52/82/34/387528234.db2.gz QBLJONJNZPJQJI-GFCCVEGCSA-N 1 2 229.245 2.899 20 0 BFADLO CC[C@H](Cn1c[nH+]c2cc(F)c(F)cc21)OC ZINC000397000777 387531463 /nfs/dbraw/zinc/53/14/63/387531463.db2.gz FDDIGUUKRAJBLJ-MRVPVSSYSA-N 1 2 240.253 2.740 20 0 BFADLO Cc1cc(C)c(CNc2ncc(C)c(C)n2)c[nH+]1 ZINC000397058259 387535662 /nfs/dbraw/zinc/53/56/62/387535662.db2.gz VFJRBCBJAGEAKZ-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000352826728 387537502 /nfs/dbraw/zinc/53/75/02/387537502.db2.gz SLSSMDFQBIUQLH-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000352826728 387537508 /nfs/dbraw/zinc/53/75/08/387537508.db2.gz SLSSMDFQBIUQLH-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)[C@H]1CCC(C)(C)C1 ZINC000361471333 387467275 /nfs/dbraw/zinc/46/72/75/387467275.db2.gz ZDFVROQXTMDGKH-NSHDSACASA-N 1 2 249.358 2.958 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)[C@H]1CCC(C)(C)C1 ZINC000361471333 387467281 /nfs/dbraw/zinc/46/72/81/387467281.db2.gz ZDFVROQXTMDGKH-NSHDSACASA-N 1 2 249.358 2.958 20 0 BFADLO CCCCCCC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374649030 387475192 /nfs/dbraw/zinc/47/51/92/387475192.db2.gz RUEULWIZEABXCQ-UHFFFAOYSA-N 1 2 249.358 2.504 20 0 BFADLO COc1c(C)c[nH+]c(CN2[C@H](C)C[C@H]2C)c1C ZINC000336622751 387475881 /nfs/dbraw/zinc/47/58/81/387475881.db2.gz LESBKLWFBSPATP-GHMZBOCLSA-N 1 2 234.343 2.690 20 0 BFADLO Cc1cn2c([nH+]1)CN(Cc1ccc(C)cc1)CC2 ZINC000374645596 387476846 /nfs/dbraw/zinc/47/68/46/387476846.db2.gz JNIYBGHMXIGCGV-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO CC[C@@H](C)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422215188 387582225 /nfs/dbraw/zinc/58/22/25/387582225.db2.gz TWVYGFFXNSZWEY-GFCCVEGCSA-N 1 2 249.358 2.638 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(O)cc1)C(F)F ZINC000648619222 387582821 /nfs/dbraw/zinc/58/28/21/387582821.db2.gz DZZLBZIXMMIYLE-JTQLQIEISA-N 1 2 215.243 2.526 20 0 BFADLO C[C@]1(c2ccccc2)C[N@H+](CC2(F)CC2)CCO1 ZINC000527510870 387591131 /nfs/dbraw/zinc/59/11/31/387591131.db2.gz POQQYQYQSXDZLX-CQSZACIVSA-N 1 2 249.329 2.736 20 0 BFADLO C[C@]1(c2ccccc2)C[N@@H+](CC2(F)CC2)CCO1 ZINC000527510870 387591134 /nfs/dbraw/zinc/59/11/34/387591134.db2.gz POQQYQYQSXDZLX-CQSZACIVSA-N 1 2 249.329 2.736 20 0 BFADLO Fc1cccc(Cl)c1COCc1[nH]cc[nH+]1 ZINC000123778508 387593500 /nfs/dbraw/zinc/59/35/00/387593500.db2.gz DIUNDSXWOGIQCE-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccnc(C)c1 ZINC000527540933 387611026 /nfs/dbraw/zinc/61/10/26/387611026.db2.gz YVNHJRXLNWIACT-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccnc(C)c1 ZINC000527540933 387611029 /nfs/dbraw/zinc/61/10/29/387611029.db2.gz YVNHJRXLNWIACT-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCC[C@H](C)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000079721832 387614546 /nfs/dbraw/zinc/61/45/46/387614546.db2.gz IPKZEKPNCQQQNR-NSHDSACASA-N 1 2 249.358 2.547 20 0 BFADLO c1snnc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000036902058 387558337 /nfs/dbraw/zinc/55/83/37/387558337.db2.gz LRMXRDNNBGCNCM-CYBMUJFWSA-N 1 2 245.351 2.705 20 0 BFADLO FCC[NH2+]Cc1c(F)cccc1Cl ZINC000280583608 387572536 /nfs/dbraw/zinc/57/25/36/387572536.db2.gz AKTXIHKODWKIKN-UHFFFAOYSA-N 1 2 205.635 2.538 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527689070 387653716 /nfs/dbraw/zinc/65/37/16/387653716.db2.gz VOFSIAAAEZQNBJ-DLOVCJGASA-N 1 2 232.327 2.937 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000356405168 387655332 /nfs/dbraw/zinc/65/53/32/387655332.db2.gz KCKAWMKNBMUMBC-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000356405168 387655333 /nfs/dbraw/zinc/65/53/33/387655333.db2.gz KCKAWMKNBMUMBC-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000356405168 387655338 /nfs/dbraw/zinc/65/53/38/387655338.db2.gz KCKAWMKNBMUMBC-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000356405168 387655340 /nfs/dbraw/zinc/65/53/40/387655340.db2.gz KCKAWMKNBMUMBC-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000356414048 387656218 /nfs/dbraw/zinc/65/62/18/387656218.db2.gz BUAZOAITNJNYGU-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000356414048 387656221 /nfs/dbraw/zinc/65/62/21/387656221.db2.gz BUAZOAITNJNYGU-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000356405384 387656423 /nfs/dbraw/zinc/65/64/23/387656423.db2.gz KRJCRQSCQJTCCR-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1c[nH]nc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000356405384 387656426 /nfs/dbraw/zinc/65/64/26/387656426.db2.gz KRJCRQSCQJTCCR-UHFFFAOYSA-N 1 2 247.317 2.798 20 0 BFADLO Cc1cc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000362836102 387663936 /nfs/dbraw/zinc/66/39/36/387663936.db2.gz DJBSBZKGSUWCKZ-PJXYFTJBSA-N 1 2 231.343 2.541 20 0 BFADLO CCOC(=O)C[N@H+](C[C@@H](F)CC)C1CCCC1 ZINC000440763425 387686451 /nfs/dbraw/zinc/68/64/51/387686451.db2.gz JXCATNKXYVHGIM-NSHDSACASA-N 1 2 245.338 2.542 20 0 BFADLO CCOC(=O)C[N@@H+](C[C@@H](F)CC)C1CCCC1 ZINC000440763425 387686455 /nfs/dbraw/zinc/68/64/55/387686455.db2.gz JXCATNKXYVHGIM-NSHDSACASA-N 1 2 245.338 2.542 20 0 BFADLO Cn1ccc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000212148061 387696693 /nfs/dbraw/zinc/69/66/93/387696693.db2.gz PEXBOURGPBBZNA-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCc1cccnc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000356901509 387744961 /nfs/dbraw/zinc/74/49/61/387744961.db2.gz PTODZNMEEQSIAK-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)n1 ZINC000356919938 387745733 /nfs/dbraw/zinc/74/57/33/387745733.db2.gz OLBPYUKSHTYQNV-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCC[C@H](C(=O)Nc1ccc(N)[nH+]c1)C(C)C ZINC000422795683 387696945 /nfs/dbraw/zinc/69/69/45/387696945.db2.gz WDIBEPFPZYOKFS-NSHDSACASA-N 1 2 235.331 2.505 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CCC1(C)CC1 ZINC000431413000 387707537 /nfs/dbraw/zinc/70/75/37/387707537.db2.gz AOSPDVIPVNPDJP-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431427981 387708189 /nfs/dbraw/zinc/70/81/89/387708189.db2.gz RRNNCFYOAQUXEZ-ZJUUUORDSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@H]1C[C@H](C)N(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431427977 387708868 /nfs/dbraw/zinc/70/88/68/387708868.db2.gz RRNNCFYOAQUXEZ-UWVGGRQHSA-N 1 2 247.317 2.947 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncccn2)cc1C ZINC000452047974 387712991 /nfs/dbraw/zinc/71/29/91/387712991.db2.gz ONTSLVVHTRHVMH-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncccn2)cc1C ZINC000452047974 387712997 /nfs/dbraw/zinc/71/29/97/387712997.db2.gz ONTSLVVHTRHVMH-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CC[N@H+](CCC[C@@H](C)O)c1ccccc1C ZINC000045619355 387717783 /nfs/dbraw/zinc/71/77/83/387717783.db2.gz YNWKSLDLPFAIMU-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@@H](C)O)c1ccccc1C ZINC000045619355 387717789 /nfs/dbraw/zinc/71/77/89/387717789.db2.gz YNWKSLDLPFAIMU-CYBMUJFWSA-N 1 2 221.344 2.982 20 0 BFADLO C[C@@H](C1CCC1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000356796695 387721306 /nfs/dbraw/zinc/72/13/06/387721306.db2.gz RPMFUFOMUAZZMM-JTQLQIEISA-N 1 2 231.343 2.979 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCc3occc3C2)cn1 ZINC000377870439 387755716 /nfs/dbraw/zinc/75/57/16/387755716.db2.gz UTDXYZRRDARKBO-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1ccc(C[N@H+]2CCCc3occc3C2)cn1 ZINC000377870439 387755720 /nfs/dbraw/zinc/75/57/20/387755720.db2.gz UTDXYZRRDARKBO-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000309432393 387729528 /nfs/dbraw/zinc/72/95/28/387729528.db2.gz GMUDCCPHUAUDDU-JXUBOQSCSA-N 1 2 239.281 2.873 20 0 BFADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1Cl ZINC000356998290 387763056 /nfs/dbraw/zinc/76/30/56/387763056.db2.gz TYBNGWFLFMKWSK-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1Cl ZINC000356998290 387763061 /nfs/dbraw/zinc/76/30/61/387763061.db2.gz TYBNGWFLFMKWSK-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1CC12CC2 ZINC000527908578 387764422 /nfs/dbraw/zinc/76/44/22/387764422.db2.gz FIOIOCSONBTJDB-BWZBUEFSSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)CCCO1 ZINC000527881845 387770641 /nfs/dbraw/zinc/77/06/41/387770641.db2.gz POIFJDXJXIOWHJ-GFCCVEGCSA-N 1 2 242.322 2.850 20 0 BFADLO COc1ccc[nH+]c1N(C)CC(C)(C)C ZINC000527882096 387770867 /nfs/dbraw/zinc/77/08/67/387770867.db2.gz MTVKPRGMDAGERI-UHFFFAOYSA-N 1 2 208.305 2.573 20 0 BFADLO COc1ccc[nH+]c1N1CCc2ccsc2C1 ZINC000527942105 387781483 /nfs/dbraw/zinc/78/14/83/387781483.db2.gz BZUHJRXBIZEPOW-UHFFFAOYSA-N 1 2 246.335 2.714 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452331402 387804212 /nfs/dbraw/zinc/80/42/12/387804212.db2.gz KAYXOBOSCYNCHG-NSHDSACASA-N 1 2 249.358 2.984 20 0 BFADLO CCC(CC)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442802062 387844218 /nfs/dbraw/zinc/84/42/18/387844218.db2.gz QINZDTQVRCJUNS-NSHDSACASA-N 1 2 237.347 2.803 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cccc(O)c1 ZINC000442878390 387855324 /nfs/dbraw/zinc/85/53/24/387855324.db2.gz SURJJCQCYCORRZ-ZJUUUORDSA-N 1 2 232.283 2.792 20 0 BFADLO CC[C@H]1CCCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452413183 387818014 /nfs/dbraw/zinc/81/80/14/387818014.db2.gz DDGOJBPQROTSOI-RYUDHWBXSA-N 1 2 249.358 2.664 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@@H](C(C)C)C2)no1 ZINC000444748554 387919539 /nfs/dbraw/zinc/91/95/39/387919539.db2.gz KBLQPJTVLQEULA-LLVKDONJSA-N 1 2 237.347 2.500 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@@H](C(C)C)C2)no1 ZINC000444748554 387919542 /nfs/dbraw/zinc/91/95/42/387919542.db2.gz KBLQPJTVLQEULA-LLVKDONJSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1ccoc1C[N@@H+]1CCc2ncsc2C1 ZINC000438367772 387931687 /nfs/dbraw/zinc/93/16/87/387931687.db2.gz OTGNVVQZUNDYBH-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ccoc1C[N@H+]1CCc2ncsc2C1 ZINC000438367772 387931693 /nfs/dbraw/zinc/93/16/93/387931693.db2.gz OTGNVVQZUNDYBH-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1nc(N2CCCCC(C)(C)C2)cc[nH+]1 ZINC000445660590 387956209 /nfs/dbraw/zinc/95/62/09/387956209.db2.gz UACBLJUFEVQBBQ-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245440336 387945796 /nfs/dbraw/zinc/94/57/96/387945796.db2.gz ULMAWLTYVZGEGB-DYEKYZERSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245440336 387945798 /nfs/dbraw/zinc/94/57/98/387945798.db2.gz ULMAWLTYVZGEGB-DYEKYZERSA-N 1 2 247.338 2.631 20 0 BFADLO C[N@H+](CC1=CCCC1)Cc1nccs1 ZINC000645811410 387964519 /nfs/dbraw/zinc/96/45/19/387964519.db2.gz SGORYDKIIFEMFT-UHFFFAOYSA-N 1 2 208.330 2.685 20 0 BFADLO C[N@@H+](CC1=CCCC1)Cc1nccs1 ZINC000645811410 387964521 /nfs/dbraw/zinc/96/45/21/387964521.db2.gz SGORYDKIIFEMFT-UHFFFAOYSA-N 1 2 208.330 2.685 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000453093426 387981397 /nfs/dbraw/zinc/98/13/97/387981397.db2.gz RGDSBGPIJIAJEM-MNOVXSKESA-N 1 2 233.315 2.908 20 0 BFADLO C[C@@H](O)CC[N@H+](CC1CC1)c1ccccc1 ZINC000438986838 387972639 /nfs/dbraw/zinc/97/26/39/387972639.db2.gz SAMJFZNYCIPQAC-GFCCVEGCSA-N 1 2 219.328 2.674 20 0 BFADLO C[C@@H](O)CC[N@@H+](CC1CC1)c1ccccc1 ZINC000438986838 387972643 /nfs/dbraw/zinc/97/26/43/387972643.db2.gz SAMJFZNYCIPQAC-GFCCVEGCSA-N 1 2 219.328 2.674 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2cncs2)cc[nH+]1 ZINC000439134233 387982037 /nfs/dbraw/zinc/98/20/37/387982037.db2.gz VEKCVHBDSNVLBH-VIFPVBQESA-N 1 2 248.355 2.652 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cnccn1)c1nccs1 ZINC000080260137 387984961 /nfs/dbraw/zinc/98/49/61/387984961.db2.gz BXAPTQAPGUCOQU-UWVGGRQHSA-N 1 2 248.355 2.735 20 0 BFADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cnccn1 ZINC000423215689 387998127 /nfs/dbraw/zinc/99/81/27/387998127.db2.gz NKUSOLXOCBXZMW-SNVBAGLBSA-N 1 2 240.310 2.618 20 0 BFADLO CC[C@H](N[C@H](C)c1[nH+]ccn1CC)C(F)(F)F ZINC000453211987 388010905 /nfs/dbraw/zinc/01/09/05/388010905.db2.gz FYUJWKGPNJPQKF-BDAKNGLRSA-N 1 2 249.280 2.895 20 0 BFADLO COC[C@@H](Nc1ccc2c(c1)CC[NH2+]2)C(C)C ZINC000423210403 387996086 /nfs/dbraw/zinc/99/60/86/387996086.db2.gz GDGIJFNJOPGFQX-CQSZACIVSA-N 1 2 234.343 2.738 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccncc1)C(F)F ZINC000453250009 388025473 /nfs/dbraw/zinc/02/54/73/388025473.db2.gz RCOWDZJJCFXENH-PSASIEDQSA-N 1 2 214.259 2.776 20 0 BFADLO CC[C@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(F)F ZINC000453249428 388025650 /nfs/dbraw/zinc/02/56/50/388025650.db2.gz QRYNMTMZKOOYOB-HRDYMLBCSA-N 1 2 229.274 2.522 20 0 BFADLO CC[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)C(F)(F)F ZINC000453234669 388018766 /nfs/dbraw/zinc/01/87/66/388018766.db2.gz XIAXGQWGPBVWNP-YIZRAAEISA-N 1 2 247.264 2.819 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(F)F ZINC000453242947 388021704 /nfs/dbraw/zinc/02/17/04/388021704.db2.gz INRTXBLGKMZKQA-GZMMTYOYSA-N 1 2 243.301 2.788 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(F)F ZINC000453242949 388022579 /nfs/dbraw/zinc/02/25/79/388022579.db2.gz INRTXBLGKMZKQA-KWQFWETISA-N 1 2 243.301 2.788 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1cccnc1)C(F)F ZINC000453245681 388023050 /nfs/dbraw/zinc/02/30/50/388023050.db2.gz LRXOJMAVQWJHDB-WPRPVWTQSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@@H](CC[NH+]1CC(F)C1)c1ccccc1 ZINC000446750337 388035386 /nfs/dbraw/zinc/03/53/86/388035386.db2.gz GPLVUYAJBAQLJV-NSHDSACASA-N 1 2 207.292 2.834 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@@H](C)C(C)(F)F ZINC000453302571 388036979 /nfs/dbraw/zinc/03/69/79/388036979.db2.gz ZZPBOYMHFYLZDT-IUCAKERBSA-N 1 2 231.290 2.597 20 0 BFADLO Cc1cnc(C[NH2+]C2(c3ccc(F)cc3)CC2)o1 ZINC000440288850 388037396 /nfs/dbraw/zinc/03/73/96/388037396.db2.gz CUINMKDJEBWDFU-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO COc1cccnc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000453351717 388055193 /nfs/dbraw/zinc/05/51/93/388055193.db2.gz FHOCRWDDGMBPPM-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO CCc1cccc(N(C)Cc2[nH+]cc(C)n2C)c1 ZINC000453607122 388091650 /nfs/dbraw/zinc/09/16/50/388091650.db2.gz ASNCUDXURMGKSS-UHFFFAOYSA-N 1 2 243.354 2.927 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+](C[C@@H](F)CC)C1CC1 ZINC000440506637 388046885 /nfs/dbraw/zinc/04/68/85/388046885.db2.gz RUYWSCKNGDMZBO-JQWIXIFHSA-N 1 2 245.338 2.541 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+](C[C@@H](F)CC)C1CC1 ZINC000440506637 388046888 /nfs/dbraw/zinc/04/68/88/388046888.db2.gz RUYWSCKNGDMZBO-JQWIXIFHSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(F)F ZINC000449361747 388182453 /nfs/dbraw/zinc/18/24/53/388182453.db2.gz LJZSEFMQBRRSDD-JTQLQIEISA-N 1 2 245.317 2.771 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(F)F ZINC000449361748 388182705 /nfs/dbraw/zinc/18/27/05/388182705.db2.gz LJZSEFMQBRRSDD-SNVBAGLBSA-N 1 2 245.317 2.771 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccc1F)C(F)F ZINC000449365837 388183404 /nfs/dbraw/zinc/18/34/04/388183404.db2.gz WYMQCZLZDSGNER-JTQLQIEISA-N 1 2 217.234 2.959 20 0 BFADLO Cc1cccc(C[NH2+]C(CF)CF)c1C ZINC000449371929 388185243 /nfs/dbraw/zinc/18/52/43/388185243.db2.gz ABLFUBHMRUMJRS-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO Cn1cc(Cl)c(C[N@H+](C)CCC(C)(C)C)n1 ZINC000646028849 388128691 /nfs/dbraw/zinc/12/86/91/388128691.db2.gz DEHMYOBSVBFOLZ-UHFFFAOYSA-N 1 2 243.782 2.942 20 0 BFADLO Cn1cc(Cl)c(C[N@@H+](C)CCC(C)(C)C)n1 ZINC000646028849 388128695 /nfs/dbraw/zinc/12/86/95/388128695.db2.gz DEHMYOBSVBFOLZ-UHFFFAOYSA-N 1 2 243.782 2.942 20 0 BFADLO CC/C=C/CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000455053684 388146664 /nfs/dbraw/zinc/14/66/64/388146664.db2.gz VGHZWLIXNGIWDZ-AATRIKPKSA-N 1 2 233.315 2.786 20 0 BFADLO CC/C=C\CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000455053686 388147004 /nfs/dbraw/zinc/14/70/04/388147004.db2.gz VGHZWLIXNGIWDZ-WAYWQWQTSA-N 1 2 233.315 2.786 20 0 BFADLO Cc1ccc(C2([NH2+]Cc3ccn[nH]3)CCC2)cc1 ZINC000646129919 388150422 /nfs/dbraw/zinc/15/04/22/388150422.db2.gz HFKRKMRYJKWPEC-UHFFFAOYSA-N 1 2 241.338 2.887 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000449389296 388192165 /nfs/dbraw/zinc/19/21/65/388192165.db2.gz RUJJFDKQWQWUCK-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000449389296 388192168 /nfs/dbraw/zinc/19/21/68/388192168.db2.gz RUJJFDKQWQWUCK-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)CC1CCCC1 ZINC000456366231 388197310 /nfs/dbraw/zinc/19/73/10/388197310.db2.gz ZNRBDPZMYICFNX-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC000456370741 388197506 /nfs/dbraw/zinc/19/75/06/388197506.db2.gz YGVUWYPMLKGINT-SNVBAGLBSA-N 1 2 249.358 2.516 20 0 BFADLO COc1ccsc1C[NH2+][C@H](C)C(C)(F)F ZINC000449416458 388199223 /nfs/dbraw/zinc/19/92/23/388199223.db2.gz UADSLMPYVYCLGW-SSDOTTSWSA-N 1 2 235.299 2.890 20 0 BFADLO CC[C@H](C)CCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456426946 388200983 /nfs/dbraw/zinc/20/09/83/388200983.db2.gz QVZXWZSHBYLIEL-SRVKXCTJSA-N 1 2 249.358 2.831 20 0 BFADLO CC[N@H+](Cc1cccc(Cl)c1F)C1COC1 ZINC000449427679 388203237 /nfs/dbraw/zinc/20/32/37/388203237.db2.gz SLESWKIMEFISHE-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@@H+](Cc1cccc(Cl)c1F)C1COC1 ZINC000449427679 388203238 /nfs/dbraw/zinc/20/32/38/388203238.db2.gz SLESWKIMEFISHE-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO COC1C[NH+](Cc2cc3c(ccc(C)c3C)[nH]2)C1 ZINC000459576744 388246396 /nfs/dbraw/zinc/24/63/96/388246396.db2.gz HATOVPKETLOIDV-UHFFFAOYSA-N 1 2 244.338 2.615 20 0 BFADLO C/C=C/C=C\C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000491364533 388288629 /nfs/dbraw/zinc/28/86/29/388288629.db2.gz GGKRLVXFGPDEAD-BHYHJWACSA-N 1 2 245.326 2.596 20 0 BFADLO Cc1c[nH+]cc(NC[C@H]2CCSC2)c1 ZINC000226385698 388350132 /nfs/dbraw/zinc/35/01/32/388350132.db2.gz YTHRJLJXANIXJB-SNVBAGLBSA-N 1 2 208.330 2.555 20 0 BFADLO CC(C)=CCNc1cc[nH+]c(C2CC2)n1 ZINC000276776974 388351225 /nfs/dbraw/zinc/35/12/25/388351225.db2.gz NXQGWJQWBRVEEW-UHFFFAOYSA-N 1 2 203.289 2.732 20 0 BFADLO CCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](F)C1 ZINC000648721403 388352723 /nfs/dbraw/zinc/35/27/23/388352723.db2.gz ZSOGTWIYAAPKSF-LLVKDONJSA-N 1 2 247.317 2.600 20 0 BFADLO CCn1c2ccccc2nc1C[N@H+]1CC[C@@H](F)C1 ZINC000648721403 388352726 /nfs/dbraw/zinc/35/27/26/388352726.db2.gz ZSOGTWIYAAPKSF-LLVKDONJSA-N 1 2 247.317 2.600 20 0 BFADLO C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000235459164 388369208 /nfs/dbraw/zinc/36/92/08/388369208.db2.gz YNFUVQOJGSBUST-SFYZADRCSA-N 1 2 247.169 2.991 20 0 BFADLO CC[C@@](C)(NCCCn1cc[nH+]c1)C(F)(F)F ZINC000572746510 388372385 /nfs/dbraw/zinc/37/23/85/388372385.db2.gz CAXFUHDRTQYZHX-SNVBAGLBSA-N 1 2 249.280 2.594 20 0 BFADLO CCCOc1ccc(C[NH+]2CC(C)(OC)C2)cc1 ZINC000572818786 388378551 /nfs/dbraw/zinc/37/85/51/388378551.db2.gz JAEORTIBPGBQCC-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO O=C1CC[N@@H+](CCC(F)(F)F)C2(CCC2)C1 ZINC000572897557 388385468 /nfs/dbraw/zinc/38/54/68/388385468.db2.gz ONTGCUINYUXWLN-UHFFFAOYSA-N 1 2 235.249 2.526 20 0 BFADLO O=C1CC[N@H+](CCC(F)(F)F)C2(CCC2)C1 ZINC000572897557 388385472 /nfs/dbraw/zinc/38/54/72/388385472.db2.gz ONTGCUINYUXWLN-UHFFFAOYSA-N 1 2 235.249 2.526 20 0 BFADLO Fc1ccc2nc(CNc3c[nH]c[nH+]3)sc2c1 ZINC000572926802 388389215 /nfs/dbraw/zinc/38/92/15/388389215.db2.gz NNNPELZIRXQMFL-UHFFFAOYSA-N 1 2 248.286 2.771 20 0 BFADLO Fc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000294165030 388395364 /nfs/dbraw/zinc/39/53/64/388395364.db2.gz QXZMFLJDLNEHGK-LLVKDONJSA-N 1 2 217.247 2.579 20 0 BFADLO CCCCCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000492253695 388339492 /nfs/dbraw/zinc/33/94/92/388339492.db2.gz TYKZUQIBIDNZTF-HJWRWDBZSA-N 1 2 249.358 2.613 20 0 BFADLO CCCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000336725507 388469926 /nfs/dbraw/zinc/46/99/26/388469926.db2.gz FUAVXQCGELBAEU-UHFFFAOYSA-N 1 2 219.332 2.686 20 0 BFADLO O[C@@H](CNc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000316278636 388408100 /nfs/dbraw/zinc/40/81/00/388408100.db2.gz JNHBXLJBOKVADT-AWEZNQCLSA-N 1 2 242.322 2.808 20 0 BFADLO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1 ZINC000393403145 388428344 /nfs/dbraw/zinc/42/83/44/388428344.db2.gz GWOMUTYECZJSJJ-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO CCc1nocc1C[N@H+](C)C/C=C(\C)Cl ZINC000528512858 388538072 /nfs/dbraw/zinc/53/80/72/388538072.db2.gz ODSJBFJVCBBKEV-WEVVVXLNSA-N 1 2 228.723 2.811 20 0 BFADLO CCc1nocc1C[N@@H+](C)C/C=C(\C)Cl ZINC000528512858 388538073 /nfs/dbraw/zinc/53/80/73/388538073.db2.gz ODSJBFJVCBBKEV-WEVVVXLNSA-N 1 2 228.723 2.811 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)[C@H](C)O1 ZINC000449231095 256782033 /nfs/dbraw/zinc/78/20/33/256782033.db2.gz CLGWFYRLHZXNTM-JRPNMDOOSA-N 1 2 246.354 2.938 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc2c(c1)CCCN2 ZINC000517326711 388546953 /nfs/dbraw/zinc/54/69/53/388546953.db2.gz PSIMNWMGLFPNAB-LLVKDONJSA-N 1 2 234.343 2.739 20 0 BFADLO COC[C@H](C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000517326711 388546954 /nfs/dbraw/zinc/54/69/54/388546954.db2.gz PSIMNWMGLFPNAB-LLVKDONJSA-N 1 2 234.343 2.739 20 0 BFADLO C[C@H]1CCCC[N@H+](Cc2nnsc2Cl)C1 ZINC000547836318 388491784 /nfs/dbraw/zinc/49/17/84/388491784.db2.gz VWBCOHJVJMEFTN-QMMMGPOBSA-N 1 2 245.779 2.814 20 0 BFADLO C[C@H]1CCCC[N@@H+](Cc2nnsc2Cl)C1 ZINC000547836318 388491788 /nfs/dbraw/zinc/49/17/88/388491788.db2.gz VWBCOHJVJMEFTN-QMMMGPOBSA-N 1 2 245.779 2.814 20 0 BFADLO Cc1nc(N[C@H]2CCCC2(C)C)cc[nH+]1 ZINC000086831401 388512685 /nfs/dbraw/zinc/51/26/85/388512685.db2.gz OVQMPZBVBXDPSF-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(CSc2[nH+]cc3ccccn32)co1 ZINC000516842796 388520292 /nfs/dbraw/zinc/52/02/92/388520292.db2.gz IKWYRFBIHSEYRJ-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO FC(F)(F)c1ncccc1C[N@H+]1CC=CCC1 ZINC000528442147 388526163 /nfs/dbraw/zinc/52/61/63/388526163.db2.gz XPIULCAJSZXLBC-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO FC(F)(F)c1ncccc1C[N@@H+]1CC=CCC1 ZINC000528442147 388526166 /nfs/dbraw/zinc/52/61/66/388526166.db2.gz XPIULCAJSZXLBC-UHFFFAOYSA-N 1 2 242.244 2.862 20 0 BFADLO C/C(Cl)=C\C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480611 388532134 /nfs/dbraw/zinc/53/21/34/388532134.db2.gz GKTWJJYUODYBTD-NKLKJHRZSA-N 1 2 225.723 2.689 20 0 BFADLO C/C(Cl)=C\C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480611 388532136 /nfs/dbraw/zinc/53/21/36/388532136.db2.gz GKTWJJYUODYBTD-NKLKJHRZSA-N 1 2 225.723 2.689 20 0 BFADLO CO[C@@H](C)c1nc(C[N@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548425409 388536760 /nfs/dbraw/zinc/53/67/60/388536760.db2.gz GVXJACVYOVTWOP-AEJSXWLSSA-N 1 2 240.372 2.833 20 0 BFADLO CO[C@@H](C)c1nc(C[N@@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548425409 388536762 /nfs/dbraw/zinc/53/67/62/388536762.db2.gz GVXJACVYOVTWOP-AEJSXWLSSA-N 1 2 240.372 2.833 20 0 BFADLO c1ccc(N2C[C@H]3CCCC[C@@H]3C2)[nH+]c1 ZINC000301588828 388596194 /nfs/dbraw/zinc/59/61/94/388596194.db2.gz WXXZPCFRRWKAAP-VXGBXAGGSA-N 1 2 202.301 2.708 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000220364935 388603907 /nfs/dbraw/zinc/60/39/07/388603907.db2.gz ROIPHQWISQIPTI-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000220364935 388603909 /nfs/dbraw/zinc/60/39/09/388603909.db2.gz ROIPHQWISQIPTI-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO FC(F)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528651393 388555878 /nfs/dbraw/zinc/55/58/78/388555878.db2.gz RQWPGYDZTDBDMT-GFCCVEGCSA-N 1 2 226.270 2.778 20 0 BFADLO CC[C@@H]([NH2+]Cc1c[nH]nn1)c1cc(C)ccc1C ZINC000528799777 388575299 /nfs/dbraw/zinc/57/52/99/388575299.db2.gz OHHZSYQYBMBEGN-CQSZACIVSA-N 1 2 244.342 2.662 20 0 BFADLO CC[C@@H]([NH2+]Cc1cn[nH]n1)c1cc(C)ccc1C ZINC000528799777 388575302 /nfs/dbraw/zinc/57/53/02/388575302.db2.gz OHHZSYQYBMBEGN-CQSZACIVSA-N 1 2 244.342 2.662 20 0 BFADLO CC[C@@H](F)C[NH2+][C@@H](C)c1ncccc1F ZINC000528827604 388577184 /nfs/dbraw/zinc/57/71/84/388577184.db2.gz WZHGSXKVWWUULD-DTWKUNHWSA-N 1 2 214.259 2.619 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cnc(C2CC2)s1 ZINC000552092357 388668931 /nfs/dbraw/zinc/66/89/31/388668931.db2.gz QNCQRHZGPYFVOT-UHFFFAOYSA-N 1 2 247.367 2.981 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cnc(C2CC2)s1 ZINC000552092357 388668932 /nfs/dbraw/zinc/66/89/32/388668932.db2.gz QNCQRHZGPYFVOT-UHFFFAOYSA-N 1 2 247.367 2.981 20 0 BFADLO c1[nH+]c2ccccn2c1CSC[C@@H]1CCCO1 ZINC000191765358 388669477 /nfs/dbraw/zinc/66/94/77/388669477.db2.gz UDZVMSSCCZPEPI-LBPRGKRZSA-N 1 2 248.351 2.747 20 0 BFADLO Cc1[nH+]cc(-c2ccc3c(c2)CCOC3)cc1N ZINC000530248768 388640005 /nfs/dbraw/zinc/64/00/05/388640005.db2.gz SVXXUGUEFUEZSV-UHFFFAOYSA-N 1 2 240.306 2.712 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000246779202 388651640 /nfs/dbraw/zinc/65/16/40/388651640.db2.gz QCRYWKVEFSPHKP-ZSBIGDGJSA-N 1 2 248.326 2.532 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCCOC1 ZINC000530384018 388652512 /nfs/dbraw/zinc/65/25/12/388652512.db2.gz RDLRJLBNGQRQSP-GFCCVEGCSA-N 1 2 235.327 2.758 20 0 BFADLO Cn1ccc2cccc(NCc3[nH]cc[nH+]3)c21 ZINC000190906022 388657949 /nfs/dbraw/zinc/65/79/49/388657949.db2.gz UPZULYSAYUZAHT-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO CN(C)c1ccc(NCc2cccs2)[nH+]c1 ZINC000124572313 388663280 /nfs/dbraw/zinc/66/32/80/388663280.db2.gz GCSOJMUFCDCLBV-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO CN(Cc1ccco1)c1[nH]c2ccccc2[nH+]1 ZINC000192882268 388688008 /nfs/dbraw/zinc/68/80/08/388688008.db2.gz USOQGIOQFHVBEN-UHFFFAOYSA-N 1 2 227.267 2.792 20 0 BFADLO CCC(CC)CC(=O)Nc1c[nH+]ccc1OC ZINC000126580492 388698863 /nfs/dbraw/zinc/69/88/63/388698863.db2.gz CTDOKHGJFKWANR-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccc(F)c2)o1 ZINC000126964318 388709762 /nfs/dbraw/zinc/70/97/62/388709762.db2.gz BWTJXIFCXAHGOD-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000126964318 388709765 /nfs/dbraw/zinc/70/97/65/388709765.db2.gz BWTJXIFCXAHGOD-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO CC[NH+](CC)Cc1noc(C2CCCCC2)n1 ZINC000127478984 388724152 /nfs/dbraw/zinc/72/41/52/388724152.db2.gz VVTAEBKEAQPBHD-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2ccccc2C)n1 ZINC000554319902 388809147 /nfs/dbraw/zinc/80/91/47/388809147.db2.gz GAZNUCDXSFJFGH-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2ccccc2C)n1 ZINC000554319902 388809151 /nfs/dbraw/zinc/80/91/51/388809151.db2.gz GAZNUCDXSFJFGH-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000068948552 388814357 /nfs/dbraw/zinc/81/43/57/388814357.db2.gz IKDXCETVGXJOOG-ZDUSSCGKSA-N 1 2 249.354 2.927 20 0 BFADLO CC(C)c1nc(N(C)[C@@H](C)C2CC2)cc[nH+]1 ZINC000554516903 388819536 /nfs/dbraw/zinc/81/95/36/388819536.db2.gz FZDIYVHEAZONCC-JTQLQIEISA-N 1 2 219.332 2.835 20 0 BFADLO Cc1oncc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000129140802 388819663 /nfs/dbraw/zinc/81/96/63/388819663.db2.gz KUERAMNYYPJWCA-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1oncc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000129140802 388819668 /nfs/dbraw/zinc/81/96/68/388819668.db2.gz KUERAMNYYPJWCA-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1oncc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000129449185 388842462 /nfs/dbraw/zinc/84/24/62/388842462.db2.gz CNOMRAKZTRPVIL-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1oncc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000129449185 388842466 /nfs/dbraw/zinc/84/24/66/388842466.db2.gz CNOMRAKZTRPVIL-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cccc(C)c2)n1 ZINC000556214112 388870633 /nfs/dbraw/zinc/87/06/33/388870633.db2.gz JZVKYURBZQBIPX-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000556214112 388870635 /nfs/dbraw/zinc/87/06/35/388870635.db2.gz JZVKYURBZQBIPX-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCC[C@H]1F ZINC000565226550 388928897 /nfs/dbraw/zinc/92/88/97/388928897.db2.gz NREQSASBVGKADI-GHMZBOCLSA-N 1 2 223.295 2.786 20 0 BFADLO C1=CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000265467283 388992886 /nfs/dbraw/zinc/99/28/86/388992886.db2.gz BUGBQWRQQKXWBD-LLVKDONJSA-N 1 2 215.300 2.875 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccncc2)s1 ZINC000273454326 389040504 /nfs/dbraw/zinc/04/05/04/389040504.db2.gz AHFLNCNQFTXUBW-BDAKNGLRSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000273713391 389042007 /nfs/dbraw/zinc/04/20/07/389042007.db2.gz QKKNMQFIEPWVHD-DTWKUNHWSA-N 1 2 248.355 2.653 20 0 BFADLO COC(=O)C[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000507280442 533479393 /nfs/dbraw/zinc/47/93/93/533479393.db2.gz DXAKXRIBUGCARL-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000507280442 533479402 /nfs/dbraw/zinc/47/94/02/533479402.db2.gz DXAKXRIBUGCARL-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO CC(C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514829 322831169 /nfs/dbraw/zinc/83/11/69/322831169.db2.gz BZWMIQRLUAZVNB-UHFFFAOYSA-N 1 2 243.310 2.857 20 0 BFADLO Cc1cc(N2CCC(C)CC2)nc(C2CC2)[nH+]1 ZINC000264609121 132178845 /nfs/dbraw/zinc/17/88/45/132178845.db2.gz DZZWQYZDRJWQIA-UHFFFAOYSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1cc(N2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000264689340 132179779 /nfs/dbraw/zinc/17/97/79/132179779.db2.gz YXTAOYXXCPYCRY-SNVBAGLBSA-N 1 2 231.343 2.899 20 0 BFADLO Cc1nc(N2CCc3sccc3[C@@H]2C)cc[nH+]1 ZINC000266170294 132184501 /nfs/dbraw/zinc/18/45/01/132184501.db2.gz ZEAAFBDYMRAPOK-VIFPVBQESA-N 1 2 245.351 2.970 20 0 BFADLO C[C@@H](Nc1cc(N2CCCCC2)nc[nH+]1)C1CC1 ZINC000267165355 132188241 /nfs/dbraw/zinc/18/82/41/132188241.db2.gz AYZCASQYYKQMEA-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H](Nc1cc(N2CCCCC2)[nH+]cn1)C1CC1 ZINC000267165355 132188244 /nfs/dbraw/zinc/18/82/44/132188244.db2.gz AYZCASQYYKQMEA-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CSCCN1c1cc[nH+]c2ccncc21 ZINC000268015726 132191046 /nfs/dbraw/zinc/19/10/46/132191046.db2.gz XQLCBSZJSHBPQH-JTQLQIEISA-N 1 2 245.351 2.572 20 0 BFADLO CC1=CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000270046106 132195448 /nfs/dbraw/zinc/19/54/48/132195448.db2.gz KXZLPFJLZSZJHC-UHFFFAOYSA-N 1 2 225.295 2.786 20 0 BFADLO Cc1nc(N2CC[C@H](C)C3(CCC3)C2)cc[nH+]1 ZINC000271409828 132199210 /nfs/dbraw/zinc/19/92/10/132199210.db2.gz SSBZOBPWMMJLSZ-NSHDSACASA-N 1 2 231.343 2.802 20 0 BFADLO CC(C)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000272202868 132200399 /nfs/dbraw/zinc/20/03/99/132200399.db2.gz BREZXNVMVMLCOS-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@@H]1CN(c2cc(C)[nH+]c(C(C)C)n2)CCO1 ZINC000340835453 132225535 /nfs/dbraw/zinc/22/55/35/132225535.db2.gz RRJRTEDANIUVRR-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000301243158 132252309 /nfs/dbraw/zinc/25/23/09/132252309.db2.gz GSXZHQKMJDMMRG-NSHDSACASA-N 1 2 205.305 2.554 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@@H](C)S1 ZINC000301467233 132253964 /nfs/dbraw/zinc/25/39/64/132253964.db2.gz MGSSXPJCBUVPIG-NXEZZACHSA-N 1 2 249.383 2.684 20 0 BFADLO Cc1nc(N2C[C@@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301453326 132254076 /nfs/dbraw/zinc/25/40/76/132254076.db2.gz VFOPMQMXXDXTRT-UWVGGRQHSA-N 1 2 233.359 2.884 20 0 BFADLO Cc1cc(N2CCC[C@@H]3CCC[C@@H]32)nc[nH+]1 ZINC000301457495 132254216 /nfs/dbraw/zinc/25/42/16/132254216.db2.gz NDYDUNGRKQUORE-RYUDHWBXSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCO[C@H](C)C1 ZINC000301543638 132254402 /nfs/dbraw/zinc/25/44/02/132254402.db2.gz DEPAPTFNBHSWCY-GFCCVEGCSA-N 1 2 242.322 2.768 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301921351 132258532 /nfs/dbraw/zinc/25/85/32/132258532.db2.gz KZAFWGUOEXLSEF-UWVGGRQHSA-N 1 2 233.359 2.884 20 0 BFADLO C[C@H]1C[C@@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000357313695 132273621 /nfs/dbraw/zinc/27/36/21/132273621.db2.gz KWEACAKZJTUNMS-NWDGAFQWSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@H]1C[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000357313695 132273625 /nfs/dbraw/zinc/27/36/25/132273625.db2.gz KWEACAKZJTUNMS-NWDGAFQWSA-N 1 2 246.358 2.535 20 0 BFADLO c1ccc(N2CCC[C@@H](C[C@@H]3CCOC3)C2)[nH+]c1 ZINC000367384302 132280382 /nfs/dbraw/zinc/28/03/82/132280382.db2.gz NDGNOTHOLLWHIK-KBPBESRZSA-N 1 2 246.354 2.725 20 0 BFADLO Cc1c[nH+]c(CN2Cc3ccc(C)cc3C2)n1C ZINC000342855597 133602763 /nfs/dbraw/zinc/60/27/63/133602763.db2.gz XEHFBBVZTPZUMG-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC(C)(C)O1 ZINC000335529959 133876557 /nfs/dbraw/zinc/87/65/57/133876557.db2.gz VEQMZXMVIGSNGV-NSHDSACASA-N 1 2 248.326 2.595 20 0 BFADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1F ZINC000335954432 134022635 /nfs/dbraw/zinc/02/26/35/134022635.db2.gz SUSLHEPQVWEQDJ-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO c1coc(C2=CCCN(c3cccc[nH+]3)C2)c1 ZINC000335961219 134026808 /nfs/dbraw/zinc/02/68/08/134026808.db2.gz YIRHNBWLQSFGGT-UHFFFAOYSA-N 1 2 226.279 2.968 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336004606 134048502 /nfs/dbraw/zinc/04/85/02/134048502.db2.gz GCZVFWBVWBHRNN-JTQLQIEISA-N 1 2 246.314 2.597 20 0 BFADLO C[C@H]1COCC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000336069810 134071545 /nfs/dbraw/zinc/07/15/45/134071545.db2.gz UGLQGSOZCGGMSG-FZMZJTMJSA-N 1 2 246.354 2.797 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000336110015 134086070 /nfs/dbraw/zinc/08/60/70/134086070.db2.gz HVKREMCKUFUHQC-RYUDHWBXSA-N 1 2 248.374 2.693 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000336110015 134086071 /nfs/dbraw/zinc/08/60/71/134086071.db2.gz HVKREMCKUFUHQC-RYUDHWBXSA-N 1 2 248.374 2.693 20 0 BFADLO Cc1cc(NC(=O)N2CCCCC[C@@H]2C)cc[nH+]1 ZINC000336145845 134102214 /nfs/dbraw/zinc/10/22/14/134102214.db2.gz OSUPMVOZPVHHPY-LBPRGKRZSA-N 1 2 247.342 2.608 20 0 BFADLO Cc1cc(C)c(NC(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000336147338 134102510 /nfs/dbraw/zinc/10/25/10/134102510.db2.gz WUHXTIHIDQQGQK-UHFFFAOYSA-N 1 2 235.331 2.927 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC(C)(C)C1 ZINC000352213304 134108519 /nfs/dbraw/zinc/10/85/19/134108519.db2.gz UOALFDWWTYHDQL-NSHDSACASA-N 1 2 247.342 2.512 20 0 BFADLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)C1CCC1 ZINC000301867972 134156797 /nfs/dbraw/zinc/15/67/97/134156797.db2.gz DVYHHPCQKZDJGC-VIFPVBQESA-N 1 2 242.326 2.813 20 0 BFADLO CC[C@H](C)CN(CC)c1cc[nH+]c(C)n1 ZINC000175056326 134284274 /nfs/dbraw/zinc/28/42/74/134284274.db2.gz NZGCSRNOFJBXFV-JTQLQIEISA-N 1 2 207.321 2.657 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000220088081 134298889 /nfs/dbraw/zinc/29/88/89/134298889.db2.gz NLAGIRUDBQNTFU-VXGBXAGGSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000220088158 134299037 /nfs/dbraw/zinc/29/90/37/134299037.db2.gz NLAGIRUDBQNTFU-NEPJUHHUSA-N 1 2 249.358 2.888 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCOCC12CCC2 ZINC000178481918 134307038 /nfs/dbraw/zinc/30/70/38/134307038.db2.gz NYNNQKMFZHXBAJ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1ccccc1C[N@H+]1CCOCC12CCC2 ZINC000178481918 134307039 /nfs/dbraw/zinc/30/70/39/134307039.db2.gz NYNNQKMFZHXBAJ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Cc1ncccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000179568704 134322239 /nfs/dbraw/zinc/32/22/39/134322239.db2.gz LMTQRTJXEPUDPH-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ncccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000179568704 134322240 /nfs/dbraw/zinc/32/22/40/134322240.db2.gz LMTQRTJXEPUDPH-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000180154595 134327644 /nfs/dbraw/zinc/32/76/44/134327644.db2.gz OYDWLTVPCJUSFY-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000180154595 134327645 /nfs/dbraw/zinc/32/76/45/134327645.db2.gz OYDWLTVPCJUSFY-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000180154595 134327646 /nfs/dbraw/zinc/32/76/46/134327646.db2.gz OYDWLTVPCJUSFY-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000180154595 134327647 /nfs/dbraw/zinc/32/76/47/134327647.db2.gz OYDWLTVPCJUSFY-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO C[C@H]1OCC[C@@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000227903592 134399117 /nfs/dbraw/zinc/39/91/17/134399117.db2.gz GLFMSMGGIGCCAN-PWSUYJOCSA-N 1 2 241.281 2.545 20 0 BFADLO CCC1(CC)[C@@H](Nc2cc[nH+]c(C)n2)C[C@@H]1OC ZINC000151436849 134467255 /nfs/dbraw/zinc/46/72/55/134467255.db2.gz BXABFPBYFWGDCZ-RYUDHWBXSA-N 1 2 249.358 2.791 20 0 BFADLO CS[C@H]1CC[C@@H](Nc2cccc[nH+]2)C1 ZINC000078478134 135125474 /nfs/dbraw/zinc/12/54/74/135125474.db2.gz UWQTXAPNOOVQMP-ZJUUUORDSA-N 1 2 208.330 2.778 20 0 BFADLO C[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000254955653 135127602 /nfs/dbraw/zinc/12/76/02/135127602.db2.gz BNDVOCWTSVBNCT-DLGQBQFBSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000254955653 135127604 /nfs/dbraw/zinc/12/76/04/135127604.db2.gz BNDVOCWTSVBNCT-DLGQBQFBSA-N 1 2 235.302 2.560 20 0 BFADLO CC(C)CN(C)c1[nH+]c2ccccc2n1C ZINC000258831360 135134768 /nfs/dbraw/zinc/13/47/68/135134768.db2.gz OITNUWXANRONPM-UHFFFAOYSA-N 1 2 217.316 2.666 20 0 BFADLO CN(Cc1cccnc1)c1[nH]c2ccccc2[nH+]1 ZINC000258954000 135136139 /nfs/dbraw/zinc/13/61/39/135136139.db2.gz ZNDYHHBFSGBZGF-UHFFFAOYSA-N 1 2 238.294 2.594 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1(C)CC1)c1ccccc1C ZINC000342398417 135270803 /nfs/dbraw/zinc/27/08/03/135270803.db2.gz GUSAUADSJNRXED-ZDUSSCGKSA-N 1 2 247.338 2.599 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cnc(N)s1)C2 ZINC000262002458 135271712 /nfs/dbraw/zinc/27/17/12/135271712.db2.gz LLIXQFNCSOLASQ-UHFFFAOYSA-N 1 2 245.351 2.550 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cnc(N)s1)C2 ZINC000262002458 135271714 /nfs/dbraw/zinc/27/17/14/135271714.db2.gz LLIXQFNCSOLASQ-UHFFFAOYSA-N 1 2 245.351 2.550 20 0 BFADLO O=C(CC1CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000342565791 135289855 /nfs/dbraw/zinc/28/98/55/135289855.db2.gz JKALFJKSKCINIS-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO CC[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000342768008 135326727 /nfs/dbraw/zinc/32/67/27/135326727.db2.gz HRAIELTZOYRSPV-LLVKDONJSA-N 1 2 229.327 2.810 20 0 BFADLO Cc1ccc(CN(C)Cc2[nH+]cc(C)n2C)s1 ZINC000342774153 135327069 /nfs/dbraw/zinc/32/70/69/135327069.db2.gz CWQHJSVJCXQPJD-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncc(C)n2C)s1 ZINC000342774153 135327071 /nfs/dbraw/zinc/32/70/71/135327071.db2.gz CWQHJSVJCXQPJD-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncc(C)n2C)s1 ZINC000342774153 135327072 /nfs/dbraw/zinc/32/70/72/135327072.db2.gz CWQHJSVJCXQPJD-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1nc(N2CCC[C@@H](F)C2)c2c([nH+]1)CCCC2 ZINC000343073709 135356189 /nfs/dbraw/zinc/35/61/89/135356189.db2.gz VAYVXRNTZWKDTI-LLVKDONJSA-N 1 2 249.333 2.602 20 0 BFADLO Cc1cc(N2CCC[C@@H](F)C2)nc(C(C)C)[nH+]1 ZINC000343071955 135356410 /nfs/dbraw/zinc/35/64/10/135356410.db2.gz RAQPHLKXJMIDGY-LLVKDONJSA-N 1 2 237.322 2.847 20 0 BFADLO Cc1nnc(C[N@@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000334344421 135365470 /nfs/dbraw/zinc/36/54/70/135365470.db2.gz SMOWQOPHPLJVKD-GFCCVEGCSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1nnc(C[N@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000334344421 135365471 /nfs/dbraw/zinc/36/54/71/135365471.db2.gz SMOWQOPHPLJVKD-GFCCVEGCSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccco1 ZINC000334369510 135373271 /nfs/dbraw/zinc/37/32/71/135373271.db2.gz URRZEJCPGNAIKU-UHFFFAOYSA-N 1 2 245.282 2.613 20 0 BFADLO Cc1nc(N2CC3(CCC3)[C@H]2C2CC2)cc[nH+]1 ZINC000334367304 135374608 /nfs/dbraw/zinc/37/46/08/135374608.db2.gz RABJNZKBSAKOJR-CYBMUJFWSA-N 1 2 229.327 2.554 20 0 BFADLO Fc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000334393055 135385792 /nfs/dbraw/zinc/38/57/92/135385792.db2.gz ZCCVYSRKDPXIHL-UHFFFAOYSA-N 1 2 228.270 2.783 20 0 BFADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CCCOCC1 ZINC000334397549 135388654 /nfs/dbraw/zinc/38/86/54/135388654.db2.gz CNTNBHFRIZPLAJ-SNVBAGLBSA-N 1 2 241.281 2.748 20 0 BFADLO C[C@H](c1c(F)cccc1F)[N@H+]1CCCOCC1 ZINC000334397549 135388656 /nfs/dbraw/zinc/38/86/56/135388656.db2.gz CNTNBHFRIZPLAJ-SNVBAGLBSA-N 1 2 241.281 2.748 20 0 BFADLO CC[C@@H](COC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000079745374 135397157 /nfs/dbraw/zinc/39/71/57/135397157.db2.gz XRIZUBKUGWHYML-NSHDSACASA-N 1 2 237.347 2.745 20 0 BFADLO CC[C@@H](COC)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000079708297 135397517 /nfs/dbraw/zinc/39/75/17/135397517.db2.gz GLWOODVLBKVKRB-LBPRGKRZSA-N 1 2 245.326 2.709 20 0 BFADLO COc1ccc(F)cc1CNc1cccc[nH+]1 ZINC000084035489 135463828 /nfs/dbraw/zinc/46/38/28/135463828.db2.gz XHOKXQAKRMGKPU-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc2cccnc21 ZINC000090153414 135545778 /nfs/dbraw/zinc/54/57/78/135545778.db2.gz MJEKJFNBJVLRSR-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[C@@H]1C ZINC000334957629 135850636 /nfs/dbraw/zinc/85/06/36/135850636.db2.gz ZFCWOCLXDROQAF-KWQFWETISA-N 1 2 233.315 2.618 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc2occc2c1 ZINC000347821089 136014085 /nfs/dbraw/zinc/01/40/85/136014085.db2.gz RKLCLDQAAKHWOQ-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc2occc2c1 ZINC000347821089 136014086 /nfs/dbraw/zinc/01/40/86/136014086.db2.gz RKLCLDQAAKHWOQ-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347947091 136019543 /nfs/dbraw/zinc/01/95/43/136019543.db2.gz ZEJJYRBBWUOPOP-COPLHBTASA-N 1 2 247.342 2.509 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000347948979 136020192 /nfs/dbraw/zinc/02/01/92/136020192.db2.gz AHKJVRWLTDFRAK-RISCZKNCSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cc[nH+]cc1CCCN1CCC(F)(F)C1 ZINC000348139753 136038792 /nfs/dbraw/zinc/03/87/92/136038792.db2.gz JJKWPGDGRVISDY-UHFFFAOYSA-N 1 2 240.297 2.664 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000348258353 136057709 /nfs/dbraw/zinc/05/77/09/136057709.db2.gz AJPLEZYDTWESSW-BNOWGMLFSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000335343888 136065168 /nfs/dbraw/zinc/06/51/68/136065168.db2.gz CUSZRFOZJVXKHM-CYBMUJFWSA-N 1 2 244.338 2.887 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000335350869 136068966 /nfs/dbraw/zinc/06/89/66/136068966.db2.gz KWAOHNYJYZOXAW-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000335350869 136068967 /nfs/dbraw/zinc/06/89/67/136068967.db2.gz KWAOHNYJYZOXAW-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO CCCC1(C(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000348320820 136069140 /nfs/dbraw/zinc/06/91/40/136069140.db2.gz LFDHKOIZDVLREY-UHFFFAOYSA-N 1 2 234.299 2.609 20 0 BFADLO CCc1nocc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000335361531 136080771 /nfs/dbraw/zinc/08/07/71/136080771.db2.gz XIHOHONCNUBNLR-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1nocc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000335361531 136080772 /nfs/dbraw/zinc/08/07/72/136080772.db2.gz XIHOHONCNUBNLR-LBPRGKRZSA-N 1 2 226.295 2.561 20 0 BFADLO Clc1cc2c(s1)CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000335380136 136087205 /nfs/dbraw/zinc/08/72/05/136087205.db2.gz NGVQJGWEDHFEEK-SECBINFHSA-N 1 2 243.759 2.549 20 0 BFADLO Clc1cc2c(s1)CC[N@H+]([C@@H]1CCOC1)C2 ZINC000335380136 136087206 /nfs/dbraw/zinc/08/72/06/136087206.db2.gz NGVQJGWEDHFEEK-SECBINFHSA-N 1 2 243.759 2.549 20 0 BFADLO F[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000335398951 136093480 /nfs/dbraw/zinc/09/34/80/136093480.db2.gz MMIZXOZOOJHEEZ-MRVPVSSYSA-N 1 2 234.196 2.649 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CCC=C(F)C1 ZINC000335556605 136099501 /nfs/dbraw/zinc/09/95/01/136099501.db2.gz FOOMFBNDDFVUMR-UHFFFAOYSA-N 1 2 223.295 2.523 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000335589167 136102522 /nfs/dbraw/zinc/10/25/22/136102522.db2.gz GOZGBUNBSUWLOA-JTQLQIEISA-N 1 2 247.342 2.927 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1ccccn1 ZINC000190765612 397887507 /nfs/dbraw/zinc/88/75/07/397887507.db2.gz UAIXUNOWNVKIHE-UHFFFAOYSA-N 1 2 228.295 2.926 20 0 BFADLO Cc1cn2cc(NC(=O)C3(C)CCC3)ccc2[nH+]1 ZINC000267313290 397946603 /nfs/dbraw/zinc/94/66/03/397946603.db2.gz CMOUDDSRWZLIFB-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC(C)([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000192316307 397893623 /nfs/dbraw/zinc/89/36/23/397893623.db2.gz WTBUDCFQBFBKKM-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO CCC(=O)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000388505974 397899445 /nfs/dbraw/zinc/89/94/45/397899445.db2.gz OPURSCRBAJMRMF-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO CCOC1CC(C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000649696219 398045024 /nfs/dbraw/zinc/04/50/24/398045024.db2.gz ZTHALUFZWXSDCL-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO CCOC1CC(C[N@H+]2CCCC(F)(F)C2)C1 ZINC000649696219 398045028 /nfs/dbraw/zinc/04/50/28/398045028.db2.gz ZTHALUFZWXSDCL-UHFFFAOYSA-N 1 2 233.302 2.533 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(C)cn1 ZINC000650242980 398003638 /nfs/dbraw/zinc/00/36/38/398003638.db2.gz FTYPPYHSQOGDCI-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CCc1ncc(CNc2c[nH+]ccc2CC)cn1 ZINC000650243281 398005173 /nfs/dbraw/zinc/00/51/73/398005173.db2.gz RVERHJWYRLABIW-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO COCc1cc[nH+]c(NCc2cccnc2C)c1 ZINC000650244873 398007292 /nfs/dbraw/zinc/00/72/92/398007292.db2.gz SRKAXZIOWOXXQW-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO CC[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000197866567 398021027 /nfs/dbraw/zinc/02/10/27/398021027.db2.gz UKRLIGXDKJIJCL-CYBMUJFWSA-N 1 2 249.354 2.549 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649656171 398024586 /nfs/dbraw/zinc/02/45/86/398024586.db2.gz BUJZUWVOAKFIGB-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO CCCc1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649656171 398024589 /nfs/dbraw/zinc/02/45/89/398024589.db2.gz BUJZUWVOAKFIGB-UHFFFAOYSA-N 1 2 235.331 2.541 20 0 BFADLO CC(C)(C)OCC[N@@H+]1CCCC(F)(F)C1 ZINC000649693057 398041184 /nfs/dbraw/zinc/04/11/84/398041184.db2.gz PCWZZIPYXUGCTF-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)(C)OCC[N@H+]1CCCC(F)(F)C1 ZINC000649693057 398041186 /nfs/dbraw/zinc/04/11/86/398041186.db2.gz PCWZZIPYXUGCTF-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000128530379 398060169 /nfs/dbraw/zinc/06/01/69/398060169.db2.gz VCYRXBZQRDHOCC-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000128530379 398060171 /nfs/dbraw/zinc/06/01/71/398060171.db2.gz VCYRXBZQRDHOCC-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cscn2)[C@H](CC)CO1 ZINC000649721826 398064826 /nfs/dbraw/zinc/06/48/26/398064826.db2.gz CZUAJYRKTUWWJL-VXGBXAGGSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cscn2)[C@H](CC)CO1 ZINC000649721826 398064830 /nfs/dbraw/zinc/06/48/30/398064830.db2.gz CZUAJYRKTUWWJL-VXGBXAGGSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000649704472 398052130 /nfs/dbraw/zinc/05/21/30/398052130.db2.gz JLKHOURKJHYCQU-CHWSQXEVSA-N 1 2 244.338 2.577 20 0 BFADLO CCC1(CC)CN(c2nc(C)[nH+]cc2C)C1 ZINC000565962234 398113694 /nfs/dbraw/zinc/11/36/94/398113694.db2.gz PUINSIBXKDWOJA-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO CC/C(C)=C/C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000294656556 398129745 /nfs/dbraw/zinc/12/97/45/398129745.db2.gz HWPWOCKGVODZHZ-HCRIHEDKSA-N 1 2 247.342 2.820 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2cnccc2C)o1 ZINC000685580432 487557908 /nfs/dbraw/zinc/55/79/08/487557908.db2.gz TVHUWJQYQXHBJC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2cnccc2C)o1 ZINC000685580432 487557914 /nfs/dbraw/zinc/55/79/14/487557914.db2.gz TVHUWJQYQXHBJC-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H](C)C2CC2)[nH+]1 ZINC000674336420 487561818 /nfs/dbraw/zinc/56/18/18/487561818.db2.gz GQODUWPBDYMAHJ-MRVPVSSYSA-N 1 2 230.315 2.724 20 0 BFADLO CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCC1 ZINC000141042637 487568253 /nfs/dbraw/zinc/56/82/53/487568253.db2.gz SOHIEIQMJOXOHH-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO Cc1cc[nH+]c(NC[C@H](CO)C(C)C)c1Cl ZINC000309347765 322901708 /nfs/dbraw/zinc/90/17/08/322901708.db2.gz MEPVTYFHFZHGFZ-SNVBAGLBSA-N 1 2 242.750 2.720 20 0 BFADLO CCc1cnc(C[NH2+][C@@H](C)c2c(C)noc2C)o1 ZINC000680381269 487580147 /nfs/dbraw/zinc/58/01/47/487580147.db2.gz BCBASKLOOLUMFR-QMMMGPOBSA-N 1 2 249.314 2.693 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccsc2)o1 ZINC000393800413 487584234 /nfs/dbraw/zinc/58/42/34/487584234.db2.gz RVKORHQKDOKJAC-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO COc1c(C)cc(CNc2c[nH]c[nH+]2)cc1C ZINC000685845910 487586114 /nfs/dbraw/zinc/58/61/14/487586114.db2.gz TUYIYMRGGQBUGV-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CS[C@H](C)C1 ZINC000086936386 487593151 /nfs/dbraw/zinc/59/31/51/487593151.db2.gz FYLZDQWJUBDGCP-SCZZXKLOSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000666267415 487597198 /nfs/dbraw/zinc/59/71/98/487597198.db2.gz QMZXHWWSVLHNJX-HLUHBDAQSA-N 1 2 231.299 2.518 20 0 BFADLO Cn1c[nH+]cc1COc1cccc2c1CCCC2 ZINC000674648162 487601285 /nfs/dbraw/zinc/60/12/85/487601285.db2.gz CNEBASRHLAQYKE-UHFFFAOYSA-N 1 2 242.322 2.878 20 0 BFADLO CC1(C)C[C@@]1([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000662340113 409650956 /nfs/dbraw/zinc/65/09/56/409650956.db2.gz IDXOFEPNGDTJMN-OAHLLOKOSA-N 1 2 241.338 2.825 20 0 BFADLO CC[C@H](COC)Nc1[nH+]cccc1SC ZINC000651971315 409942779 /nfs/dbraw/zinc/94/27/79/409942779.db2.gz ACKNSOZOBNMCLU-SECBINFHSA-N 1 2 226.345 2.640 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1COC(C)(C)C1 ZINC000651971395 409942964 /nfs/dbraw/zinc/94/29/64/409942964.db2.gz CVEIPYAIGCZCKI-VIFPVBQESA-N 1 2 238.356 2.783 20 0 BFADLO CSc1ccc[nH+]c1NC[C@@H]1CCSC1 ZINC000651971758 409943033 /nfs/dbraw/zinc/94/30/33/409943033.db2.gz TYFYROZUNXODJX-VIFPVBQESA-N 1 2 240.397 2.969 20 0 BFADLO CSc1ccc[nH+]c1NC[C@H]1CCSC1 ZINC000651971757 409943803 /nfs/dbraw/zinc/94/38/03/409943803.db2.gz TYFYROZUNXODJX-SECBINFHSA-N 1 2 240.397 2.969 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CCO[C@@H](C)C1 ZINC000651971333 409944144 /nfs/dbraw/zinc/94/41/44/409944144.db2.gz AKRCLCXMNKNYJE-VHSXEESVSA-N 1 2 238.356 2.783 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@@H](C)C1 ZINC000651979173 410111626 /nfs/dbraw/zinc/11/16/26/410111626.db2.gz AHSLHOMCOZQVJA-CMPLNLGQSA-N 1 2 220.316 2.623 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)C1CCOCC1 ZINC000651979633 410114537 /nfs/dbraw/zinc/11/45/37/410114537.db2.gz BTTKQDGQHNNSLG-LLVKDONJSA-N 1 2 234.343 2.871 20 0 BFADLO CC(C)c1cccc(C[NH2+]CC(F)(F)CO)c1 ZINC000663325026 410114823 /nfs/dbraw/zinc/11/48/23/410114823.db2.gz UCMWTGGOQVRSMH-UHFFFAOYSA-N 1 2 243.297 2.527 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CSC[C@H]1C ZINC000651980009 410115955 /nfs/dbraw/zinc/11/59/55/410115955.db2.gz WJNQLDGHHAGSJI-SKDRFNHKSA-N 1 2 222.357 2.807 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403529 410208844 /nfs/dbraw/zinc/20/88/44/410208844.db2.gz VYMOJDOQKXOXKU-NXEZZACHSA-N 1 2 237.347 2.659 20 0 BFADLO c1coc(C2CC[NH+](Cc3ccon3)CC2)c1 ZINC000661160768 410312943 /nfs/dbraw/zinc/31/29/43/410312943.db2.gz DMOMKZDRDLFARV-UHFFFAOYSA-N 1 2 232.283 2.647 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H](F)C1 ZINC000663875247 410362489 /nfs/dbraw/zinc/36/24/89/410362489.db2.gz UBOJILYENWKARI-SNVBAGLBSA-N 1 2 245.301 2.755 20 0 BFADLO c1coc(CCNc2cc[nH+]c3ccncc23)c1 ZINC000085652816 410466557 /nfs/dbraw/zinc/46/65/57/410466557.db2.gz BXXCQJLAHDPOAX-UHFFFAOYSA-N 1 2 239.278 2.877 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CC[C@H]2C[C@H]2C1 ZINC000664526852 410595913 /nfs/dbraw/zinc/59/59/13/410595913.db2.gz YEZZWFXJKQWCKN-UWVGGRQHSA-N 1 2 245.301 2.559 20 0 BFADLO CC1CCC(C[N@@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000661405460 410617993 /nfs/dbraw/zinc/61/79/93/410617993.db2.gz DLMXQHHANVKEJH-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2CC[C@@H](O)C(F)(F)C2)CC1 ZINC000661405460 410617999 /nfs/dbraw/zinc/61/79/99/410617999.db2.gz DLMXQHHANVKEJH-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO CCN(Cc1ccccc1)c1cc(CO)cc[nH+]1 ZINC000040865137 410896832 /nfs/dbraw/zinc/89/68/32/410896832.db2.gz HOEUGXKWZVMBKC-UHFFFAOYSA-N 1 2 242.322 2.600 20 0 BFADLO CC(C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000036982147 167016921 /nfs/dbraw/zinc/01/69/21/167016921.db2.gz ALEOLLOCBCSZJG-UHFFFAOYSA-N 1 2 219.332 2.750 20 0 BFADLO CC(C)CNc1ccccc1C[NH+]1CCOCC1 ZINC000267249753 167019216 /nfs/dbraw/zinc/01/92/16/167019216.db2.gz UHARFVIFJHEYFH-UHFFFAOYSA-N 1 2 248.370 2.587 20 0 BFADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cccs1 ZINC000093772989 167170212 /nfs/dbraw/zinc/17/02/12/167170212.db2.gz HZKCYXLIBWPCRS-JTQLQIEISA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cccs1 ZINC000093772989 167170213 /nfs/dbraw/zinc/17/02/13/167170213.db2.gz HZKCYXLIBWPCRS-JTQLQIEISA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OCCC[N@H+]1CCC[C@H]1C(F)F ZINC000353178507 167211618 /nfs/dbraw/zinc/21/16/18/167211618.db2.gz XKUSVRPHSBEUKD-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353178507 167211614 /nfs/dbraw/zinc/21/16/14/167211614.db2.gz XKUSVRPHSBEUKD-JTQLQIEISA-N 1 2 221.291 2.531 20 0 BFADLO c1nc(C[NH2+]Cc2cccc(C3CC3)c2)co1 ZINC000397845437 410936439 /nfs/dbraw/zinc/93/64/39/410936439.db2.gz HZNIDHJSFQJNHZ-UHFFFAOYSA-N 1 2 228.295 2.842 20 0 BFADLO CC(C)[C@@H](C)CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357131393 167355845 /nfs/dbraw/zinc/35/58/45/167355845.db2.gz JWYKGMCOQMMTNC-NWDGAFQWSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H]([NH2+]Cc1cocn1)c1ccsc1 ZINC000397802417 410933610 /nfs/dbraw/zinc/93/36/10/410933610.db2.gz LXWVJLGLOVQLDF-NSHDSACASA-N 1 2 222.313 2.977 20 0 BFADLO CC(C)[C@@H]([NH2+]CC[C@@H]1CCOC1)C(F)(F)F ZINC000336743944 167431130 /nfs/dbraw/zinc/43/11/30/167431130.db2.gz PSDUPEWXPJHYRJ-NXEZZACHSA-N 1 2 239.281 2.590 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000651421840 411008691 /nfs/dbraw/zinc/00/86/91/411008691.db2.gz SUWINMTZAFAHEP-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@@H]1CCCC1(F)F ZINC000398191368 410947186 /nfs/dbraw/zinc/94/71/86/410947186.db2.gz KFBOMWPVIFDSAB-LLVKDONJSA-N 1 2 243.301 2.741 20 0 BFADLO c1nc(NC2CC3(CCC3)C2)cc(NC2CC2)[nH+]1 ZINC000651473426 411054146 /nfs/dbraw/zinc/05/41/46/411054146.db2.gz NFBNUXGGPDTTIL-UHFFFAOYSA-N 1 2 244.342 2.796 20 0 BFADLO c1nc(NC2CC2)cc(NC2CC3(CCC3)C2)[nH+]1 ZINC000651473426 411054151 /nfs/dbraw/zinc/05/41/51/411054151.db2.gz NFBNUXGGPDTTIL-UHFFFAOYSA-N 1 2 244.342 2.796 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ccoc2)o1 ZINC000651462436 411044432 /nfs/dbraw/zinc/04/44/32/411044432.db2.gz FMCXLUGHJUBELR-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CC(C)([NH2+]Cc1cc2cnccc2o1)C(F)F ZINC000651790993 411143936 /nfs/dbraw/zinc/14/39/36/411143936.db2.gz SZBUAXPDGQIXOF-UHFFFAOYSA-N 1 2 240.253 2.961 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCC[C@H]2C)c1 ZINC000652068568 411104889 /nfs/dbraw/zinc/10/48/89/411104889.db2.gz HMFDVENCHUQAGO-PWSUYJOCSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(NC2CC3(CCC3)C2)c1 ZINC000652068276 411104979 /nfs/dbraw/zinc/10/49/79/411104979.db2.gz XPEDNDRVNCZUAL-UHFFFAOYSA-N 1 2 232.327 2.973 20 0 BFADLO CCC[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068348 411105049 /nfs/dbraw/zinc/10/50/49/411105049.db2.gz AUZQYFWOAVTCJX-JTQLQIEISA-N 1 2 208.305 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)C(C)C)c1 ZINC000652068551 411105233 /nfs/dbraw/zinc/10/52/33/411105233.db2.gz GZYNHXLVLAVACP-SNVBAGLBSA-N 1 2 208.305 2.684 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)C(C)C)c1 ZINC000652068550 411105281 /nfs/dbraw/zinc/10/52/81/411105281.db2.gz GZYNHXLVLAVACP-JTQLQIEISA-N 1 2 208.305 2.684 20 0 BFADLO COCc1cc[nH+]c(NC2CCSCC2)c1 ZINC000652068651 411105290 /nfs/dbraw/zinc/10/52/90/411105290.db2.gz KGECADLRMGPDDR-UHFFFAOYSA-N 1 2 238.356 2.536 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000652076885 411109606 /nfs/dbraw/zinc/10/96/06/411109606.db2.gz CXMUYPBQSKWGCT-VIFPVBQESA-N 1 2 240.347 2.566 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000652076885 411109608 /nfs/dbraw/zinc/10/96/08/411109608.db2.gz CXMUYPBQSKWGCT-VIFPVBQESA-N 1 2 240.347 2.566 20 0 BFADLO Cc1ccc(NC2CC(CF)(CF)C2)c[nH+]1 ZINC000657947906 411177632 /nfs/dbraw/zinc/17/76/32/411177632.db2.gz FYVWHTIHNILMER-UHFFFAOYSA-N 1 2 226.270 2.890 20 0 BFADLO COC1([C@@H](C)Nc2ccc(C)[nH+]c2)CCC1 ZINC000657947883 411177678 /nfs/dbraw/zinc/17/76/78/411177678.db2.gz FQKJTTBVPYRBLC-LLVKDONJSA-N 1 2 220.316 2.760 20 0 BFADLO CCC(=O)N1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC000425507959 411178513 /nfs/dbraw/zinc/17/85/13/411178513.db2.gz HEFCUHBFQVGIIT-ZDUSSCGKSA-N 1 2 246.354 2.568 20 0 BFADLO CCC(=O)N1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC000425507959 411178517 /nfs/dbraw/zinc/17/85/17/411178517.db2.gz HEFCUHBFQVGIIT-ZDUSSCGKSA-N 1 2 246.354 2.568 20 0 BFADLO COc1ccc(N[C@H]2CCCSCC2)[nH+]c1 ZINC000657950467 411178896 /nfs/dbraw/zinc/17/88/96/411178896.db2.gz QCPTVHWADVUDFH-JTQLQIEISA-N 1 2 238.356 2.788 20 0 BFADLO COc1c(C)[nH+]cnc1NCCc1cccs1 ZINC000656105740 411179941 /nfs/dbraw/zinc/17/99/41/411179941.db2.gz BSCKQLJWSBRDRI-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CC=CCC1 ZINC000656127670 411183133 /nfs/dbraw/zinc/18/31/33/411183133.db2.gz VCBRCSDHUKBXBH-NSHDSACASA-N 1 2 203.289 2.614 20 0 BFADLO COc1c(C)[nH+]cnc1NC1CCC2(CC2)CC1 ZINC000656178984 411193279 /nfs/dbraw/zinc/19/32/79/411193279.db2.gz RNVKVZDPZGFZEN-UHFFFAOYSA-N 1 2 247.342 2.928 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC2(CCC2)C[C@@H]1C ZINC000656178752 411193783 /nfs/dbraw/zinc/19/37/83/411193783.db2.gz BFIZRDQRBRLFTP-JTQLQIEISA-N 1 2 247.342 2.563 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCSCC1)C(F)(F)F ZINC000658013928 411197786 /nfs/dbraw/zinc/19/77/86/411197786.db2.gz QMRKFMPWQORQSY-JGVFFNPUSA-N 1 2 227.295 2.813 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2cc(C)on2)c1 ZINC000652330917 411202328 /nfs/dbraw/zinc/20/23/28/411202328.db2.gz SKSVTKQBFUZEOR-SNVBAGLBSA-N 1 2 247.298 2.698 20 0 BFADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)C1CC1 ZINC000652330583 411202396 /nfs/dbraw/zinc/20/23/96/411202396.db2.gz KDBBZAFHKWRJBI-GFCCVEGCSA-N 1 2 220.316 2.829 20 0 BFADLO c1ccc(N[C@@H](C2CC2)[C@H]2CCCCO2)[nH+]c1 ZINC000656208732 411209420 /nfs/dbraw/zinc/20/94/20/411209420.db2.gz SRYRATLURXIOQN-OCCSQVGLSA-N 1 2 232.327 2.841 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2(C)CC=CC2)[nH+]1 ZINC000656208306 411209823 /nfs/dbraw/zinc/20/98/23/411209823.db2.gz OKNBWYXBEMBXLX-UHFFFAOYSA-N 1 2 228.299 2.787 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CC2(CC2(F)F)C1 ZINC000656266964 411221276 /nfs/dbraw/zinc/22/12/76/411221276.db2.gz MQRDWNNUQLRBTD-UHFFFAOYSA-N 1 2 245.219 2.806 20 0 BFADLO CC(C)(CC(=O)NC(C)(C)c1[nH]cc[nH+]1)C1CC1 ZINC000652413319 411234019 /nfs/dbraw/zinc/23/40/19/411234019.db2.gz OJPWPDZAOQXPLN-UHFFFAOYSA-N 1 2 249.358 2.587 20 0 BFADLO CC[C@H](NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000423326914 411238845 /nfs/dbraw/zinc/23/88/45/411238845.db2.gz NCMALAFAAXZXJQ-NSHDSACASA-N 1 2 234.334 2.529 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCOCC1CCCC1 ZINC000656482886 411282220 /nfs/dbraw/zinc/28/22/20/411282220.db2.gz YKHTWUKTXYNFPH-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCOCC1CCCC1 ZINC000656482886 411282222 /nfs/dbraw/zinc/28/22/22/411282222.db2.gz YKHTWUKTXYNFPH-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO COc1ccc(NC2CC3(CCC3)C2)[nH+]c1 ZINC000656507187 411288067 /nfs/dbraw/zinc/28/80/67/411288067.db2.gz REQIAIDVXNNIEI-UHFFFAOYSA-N 1 2 218.300 2.835 20 0 BFADLO CC[C@@H](C)[C@H](CNc1ccc(C)[nH+]c1)OC ZINC000653469455 411290985 /nfs/dbraw/zinc/29/09/85/411290985.db2.gz ZTROVCWILMDGFS-MFKMUULPSA-N 1 2 222.332 2.863 20 0 BFADLO Oc1cccc(C[NH+]2CC(C(F)F)C2)c1Cl ZINC000656691522 411330283 /nfs/dbraw/zinc/33/02/83/411330283.db2.gz GLQLLSJAYJVINW-UHFFFAOYSA-N 1 2 247.672 2.743 20 0 BFADLO CC(C)(C)C1CC([NH2+]Cc2noc(C3CC3)n2)C1 ZINC000656586549 411305790 /nfs/dbraw/zinc/30/57/90/411305790.db2.gz FNZVELASPMJLGX-UHFFFAOYSA-N 1 2 249.358 2.861 20 0 BFADLO C=C/C(C)=C\CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000654001404 411309306 /nfs/dbraw/zinc/30/93/06/411309306.db2.gz IVKRQQRDPCYBAL-RDQDRAATSA-N 1 2 247.342 2.603 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280138 411320358 /nfs/dbraw/zinc/32/03/58/411320358.db2.gz GLXRZCBCKSDROS-GMSGAONNSA-N 1 2 243.301 2.660 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccn2)co1 ZINC000660140169 411255483 /nfs/dbraw/zinc/25/54/83/411255483.db2.gz KAYNMHZWYQUKLA-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccn2)co1 ZINC000660140169 411255486 /nfs/dbraw/zinc/25/54/86/411255486.db2.gz KAYNMHZWYQUKLA-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccncc2)c(C)o1 ZINC000660140993 411255964 /nfs/dbraw/zinc/25/59/64/411255964.db2.gz SGKPBFJXFKFQRX-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccncc2)c(C)o1 ZINC000660140993 411255969 /nfs/dbraw/zinc/25/59/69/411255969.db2.gz SGKPBFJXFKFQRX-SNVBAGLBSA-N 1 2 245.326 2.879 20 0 BFADLO CC1(CNc2cc(NCC3CC3)[nH+]cn2)CCC1 ZINC000301824921 168046712 /nfs/dbraw/zinc/04/67/12/168046712.db2.gz LZEYAHOQAQQYRM-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO CC1(CNc2cc(NCC3CC3)nc[nH+]2)CCC1 ZINC000301824921 168046714 /nfs/dbraw/zinc/04/67/14/168046714.db2.gz LZEYAHOQAQQYRM-UHFFFAOYSA-N 1 2 246.358 2.901 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cnn(C)c1 ZINC000658337107 411344593 /nfs/dbraw/zinc/34/45/93/411344593.db2.gz NFGGVZWQPRPHCJ-SECBINFHSA-N 1 2 245.317 2.752 20 0 BFADLO CC1(C)[C@H](Nc2cccc[nH+]2)[C@H]2CCCO[C@H]21 ZINC000374140724 168005929 /nfs/dbraw/zinc/00/59/29/168005929.db2.gz BZRSXPDZCWBFNB-RAIGVLPGSA-N 1 2 232.327 2.697 20 0 BFADLO CC1(C[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000330269543 168045076 /nfs/dbraw/zinc/04/50/76/168045076.db2.gz SBESAOITOBNINB-GFCCVEGCSA-N 1 2 248.374 2.816 20 0 BFADLO Cn1ncc(C2CCC2)c1CNc1cccc[nH+]1 ZINC000656766813 411348371 /nfs/dbraw/zinc/34/83/71/411348371.db2.gz DVYWDXIBXCBFPR-UHFFFAOYSA-N 1 2 242.326 2.695 20 0 BFADLO CC1=C(C)C[N@H+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000280912537 168085546 /nfs/dbraw/zinc/08/55/46/168085546.db2.gz QMUDCOIECFZHIH-UHFFFAOYSA-N 1 2 248.374 2.575 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000280912537 168085548 /nfs/dbraw/zinc/08/55/48/168085548.db2.gz QMUDCOIECFZHIH-UHFFFAOYSA-N 1 2 248.374 2.575 20 0 BFADLO CCCCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654365530 411378770 /nfs/dbraw/zinc/37/87/70/411378770.db2.gz OKOVYKIQRGWJGZ-UHFFFAOYSA-N 1 2 245.326 2.563 20 0 BFADLO CC1=CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000296147812 168099087 /nfs/dbraw/zinc/09/90/87/168099087.db2.gz XRSKFAJSGMYNLE-UHFFFAOYSA-N 1 2 237.372 2.814 20 0 BFADLO CC1=CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000296147812 168099089 /nfs/dbraw/zinc/09/90/89/168099089.db2.gz XRSKFAJSGMYNLE-UHFFFAOYSA-N 1 2 237.372 2.814 20 0 BFADLO CC1=CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000280933036 168099758 /nfs/dbraw/zinc/09/97/58/168099758.db2.gz VKUYDOMHGWYKSV-JTQLQIEISA-N 1 2 233.315 2.660 20 0 BFADLO CC1=CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000280933036 168099759 /nfs/dbraw/zinc/09/97/59/168099759.db2.gz VKUYDOMHGWYKSV-JTQLQIEISA-N 1 2 233.315 2.660 20 0 BFADLO CC1=C[C@@H](C)C[C@H](C[N@H+](CCO)CC(F)F)C1 ZINC000356423803 168125881 /nfs/dbraw/zinc/12/58/81/168125881.db2.gz LRVBUCCIXMLYFP-PWSUYJOCSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=C[C@@H](C)C[C@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000356423803 168125882 /nfs/dbraw/zinc/12/58/82/168125882.db2.gz LRVBUCCIXMLYFP-PWSUYJOCSA-N 1 2 247.329 2.538 20 0 BFADLO CC1C[NH+](Cc2cc(Cl)ccc2F)C1 ZINC000338952208 168190082 /nfs/dbraw/zinc/19/00/82/168190082.db2.gz CSUXNTNNNVOLLH-UHFFFAOYSA-N 1 2 213.683 2.931 20 0 BFADLO CC1C[NH+](Cc2cscc2Br)C1 ZINC000307727080 168191208 /nfs/dbraw/zinc/19/12/08/168191208.db2.gz CXDNGUARASMMES-UHFFFAOYSA-N 1 2 246.173 2.962 20 0 BFADLO CCC(=CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)CC ZINC000367612769 168193068 /nfs/dbraw/zinc/19/30/68/168193068.db2.gz RHZAXOQQSPWUIT-LBPRGKRZSA-N 1 2 247.342 2.820 20 0 BFADLO CCC(=O)CC[N@H+](C)Cc1c(F)cccc1F ZINC000293401946 168200331 /nfs/dbraw/zinc/20/03/31/168200331.db2.gz LSADVHRIHUUNRZ-UHFFFAOYSA-N 1 2 241.281 2.766 20 0 BFADLO CCC(=O)CC[N@@H+](C)Cc1c(F)cccc1F ZINC000293401946 168200333 /nfs/dbraw/zinc/20/03/33/168200333.db2.gz LSADVHRIHUUNRZ-UHFFFAOYSA-N 1 2 241.281 2.766 20 0 BFADLO Cc1cc(C)c(CNC(=O)CCCC2CC2)c[nH+]1 ZINC000654378100 411382942 /nfs/dbraw/zinc/38/29/42/411382942.db2.gz RUYIYGFXBXWPLK-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CCC(C)(C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302827165 168282322 /nfs/dbraw/zinc/28/23/22/168282322.db2.gz HQVBCSRKJYXZJD-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCC(C)(C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302827165 168282325 /nfs/dbraw/zinc/28/23/25/168282325.db2.gz HQVBCSRKJYXZJD-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654433912 411396365 /nfs/dbraw/zinc/39/63/65/411396365.db2.gz CMNNCQNSUIYFBB-JTQLQIEISA-N 1 2 245.326 2.561 20 0 BFADLO CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654433913 411396826 /nfs/dbraw/zinc/39/68/26/411396826.db2.gz CMNNCQNSUIYFBB-SNVBAGLBSA-N 1 2 245.326 2.561 20 0 BFADLO CCn1cc(CNc2cc(C)c[nH+]c2C)cn1 ZINC000404622934 411402195 /nfs/dbraw/zinc/40/21/95/411402195.db2.gz AWAUBJMZJPRNIA-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1 ZINC000657320878 411461732 /nfs/dbraw/zinc/46/17/32/411461732.db2.gz JFHNGPBJRQXNOA-UHFFFAOYSA-N 1 2 215.300 2.893 20 0 BFADLO CC1(C)C[C@@H](Sc2[nH+]cc3ccccn32)CO1 ZINC000657234915 411423536 /nfs/dbraw/zinc/42/35/36/411423536.db2.gz VNXVFQSIGMJMSY-LLVKDONJSA-N 1 2 248.351 2.994 20 0 BFADLO CC(C)=CCCSc1[nH+]cnc2c1cnn2C ZINC000657243273 411424460 /nfs/dbraw/zinc/42/44/60/411424460.db2.gz RJYRDNWXUVZSRB-UHFFFAOYSA-N 1 2 248.355 2.812 20 0 BFADLO CN(c1cccc[nH+]1)[C@@H](CCO)c1ccccc1 ZINC000269607734 411424662 /nfs/dbraw/zinc/42/46/62/411424662.db2.gz XURARRLFNRSLIU-AWEZNQCLSA-N 1 2 242.322 2.642 20 0 BFADLO Cc1c[nH+]ccc1CCNc1nc(C(C)C)no1 ZINC000269961011 411425541 /nfs/dbraw/zinc/42/55/41/411425541.db2.gz JBLORWUGBPHACG-UHFFFAOYSA-N 1 2 246.314 2.551 20 0 BFADLO Cc1[nH]c(CNCc2ccccc2Cl)[nH+]c1C ZINC000657285334 411444088 /nfs/dbraw/zinc/44/40/88/411444088.db2.gz DIGMUKKNJKHTPI-UHFFFAOYSA-N 1 2 249.745 2.970 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccccc2Cl)[nH]c1C ZINC000657285334 411444092 /nfs/dbraw/zinc/44/40/92/411444092.db2.gz DIGMUKKNJKHTPI-UHFFFAOYSA-N 1 2 249.745 2.970 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nc(C)c[nH]1 ZINC000657288930 411449908 /nfs/dbraw/zinc/44/99/08/411449908.db2.gz HVVOXHIKZKHEPK-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO Cc1[nH]cc(-c2cnc3ccccc3c2)[nH+]1 ZINC000065403498 411468743 /nfs/dbraw/zinc/46/87/43/411468743.db2.gz ZKLIAYSLOOZDLH-UHFFFAOYSA-N 1 2 209.252 2.933 20 0 BFADLO C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)C1CCC1 ZINC000654967613 411469004 /nfs/dbraw/zinc/46/90/04/411469004.db2.gz YAIZMCVRPSIMEP-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659854694 411478539 /nfs/dbraw/zinc/47/85/39/411478539.db2.gz YYHPFKAAQAZKKW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659854694 411478541 /nfs/dbraw/zinc/47/85/41/411478541.db2.gz YYHPFKAAQAZKKW-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1c[nH]c(CNc2cc(F)ccc2C)[nH+]1 ZINC000657404904 411497231 /nfs/dbraw/zinc/49/72/31/411497231.db2.gz PXSFXXOPWOFPRG-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO Cc1[nH]c(CN[C@H](C)c2cnccc2C)[nH+]c1C ZINC000657426107 411505008 /nfs/dbraw/zinc/50/50/08/411505008.db2.gz ZDPOABKDCVOTJM-GFCCVEGCSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1[nH]c(CN[C@@H](C)c2cnccc2C)[nH+]c1C ZINC000657426108 411505280 /nfs/dbraw/zinc/50/52/80/411505280.db2.gz ZDPOABKDCVOTJM-LBPRGKRZSA-N 1 2 244.342 2.581 20 0 BFADLO COCCc1ccccc1NCc1[nH]cc(C)[nH+]1 ZINC000657445631 411512852 /nfs/dbraw/zinc/51/28/52/411512852.db2.gz HCXDYTOCPWZTEP-UHFFFAOYSA-N 1 2 245.326 2.519 20 0 BFADLO FC(F)C[NH2+]Cc1cc2ccncc2s1 ZINC000657463492 411518769 /nfs/dbraw/zinc/51/87/69/411518769.db2.gz CVGLIUOOIAMADR-UHFFFAOYSA-N 1 2 228.267 2.651 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccnc2)c(C)o1 ZINC000660174089 411551790 /nfs/dbraw/zinc/55/17/90/411551790.db2.gz KDKQKAPMXCSBSQ-SECBINFHSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cccc(O)c2)co1 ZINC000660192041 411552335 /nfs/dbraw/zinc/55/23/35/411552335.db2.gz PUWKZUNWQCGDLU-SECBINFHSA-N 1 2 232.283 2.539 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2C)no1 ZINC000660217246 411555276 /nfs/dbraw/zinc/55/52/76/411555276.db2.gz OXSFLKAXCDBFFH-PWSUYJOCSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@H]2C)no1 ZINC000660217246 411555277 /nfs/dbraw/zinc/55/52/77/411555277.db2.gz OXSFLKAXCDBFFH-PWSUYJOCSA-N 1 2 237.347 2.636 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@@H]1F ZINC000660219688 411555432 /nfs/dbraw/zinc/55/54/32/411555432.db2.gz FNFHBRDTNXSYCW-CABZTGNLSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@@H]1F ZINC000660219688 411555435 /nfs/dbraw/zinc/55/54/35/411555435.db2.gz FNFHBRDTNXSYCW-CABZTGNLSA-N 1 2 238.306 2.732 20 0 BFADLO c1nc(CNc2c[nH+]cc3c2CCCC3)co1 ZINC000657533343 411544969 /nfs/dbraw/zinc/54/49/69/411544969.db2.gz MAOAKVXHUNOJKD-UHFFFAOYSA-N 1 2 229.283 2.561 20 0 BFADLO CCOC(=O)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000341913625 170227298 /nfs/dbraw/zinc/22/72/98/170227298.db2.gz UUBVHMOWQJZGHE-HNNXBMFYSA-N 1 2 247.338 2.599 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cncc(F)c2)c(C)o1 ZINC000660242861 411558213 /nfs/dbraw/zinc/55/82/13/411558213.db2.gz RRHDDGLAURDIGS-QMMMGPOBSA-N 1 2 249.289 2.676 20 0 BFADLO CCOC(=O)[C@@](C)([NH2+]CC(C)C)c1ccccc1 ZINC000037966145 170261363 /nfs/dbraw/zinc/26/13/63/170261363.db2.gz VIHAJDVGTXQZAR-HNNXBMFYSA-N 1 2 249.354 2.711 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000176694601 170277333 /nfs/dbraw/zinc/27/73/33/170277333.db2.gz YXSDWFGITVUQKP-SMDDNHRTSA-N 1 2 247.338 2.679 20 0 BFADLO CCOC1C[NH+](Cc2ccc3occc3c2)C1 ZINC000297519706 170336670 /nfs/dbraw/zinc/33/66/70/170336670.db2.gz WRLAFWJKSRZUBC-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO CCOCC[N@H+](C)Cc1ccsc1Cl ZINC000361594080 170389370 /nfs/dbraw/zinc/38/93/70/170389370.db2.gz LMRLNIHHWFPEOQ-UHFFFAOYSA-N 1 2 233.764 2.870 20 0 BFADLO CCOCC[N@@H+](C)Cc1ccsc1Cl ZINC000361594080 170389371 /nfs/dbraw/zinc/38/93/71/170389371.db2.gz LMRLNIHHWFPEOQ-UHFFFAOYSA-N 1 2 233.764 2.870 20 0 BFADLO CCOCC[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000119721776 170391559 /nfs/dbraw/zinc/39/15/59/170391559.db2.gz MVMSPCWROCLQPX-JTQLQIEISA-N 1 2 243.297 2.994 20 0 BFADLO CCOCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000265405540 170395801 /nfs/dbraw/zinc/39/58/01/170395801.db2.gz ZOJUDCOQDXCKDN-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cccnc1 ZINC000657792342 411598072 /nfs/dbraw/zinc/59/80/72/411598072.db2.gz BZFJNFXUPTYZER-UHFFFAOYSA-N 1 2 228.286 2.853 20 0 BFADLO Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000657798950 411599368 /nfs/dbraw/zinc/59/93/68/411599368.db2.gz SASDDAYQXJIBFS-HNNXBMFYSA-N 1 2 241.338 2.885 20 0 BFADLO CSc1cccc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000660648624 411612845 /nfs/dbraw/zinc/61/28/45/411612845.db2.gz UKEJIEDNQOLGNW-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO CSc1cccc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000660648624 411612846 /nfs/dbraw/zinc/61/28/46/411612846.db2.gz UKEJIEDNQOLGNW-NSHDSACASA-N 1 2 237.368 2.629 20 0 BFADLO C[N@H+](Cc1cc(C2CC2)no1)Cc1ccccn1 ZINC000660679760 411617024 /nfs/dbraw/zinc/61/70/24/411617024.db2.gz OLTSMSUHVKDOAD-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1cc(C2CC2)no1)Cc1ccccn1 ZINC000660679760 411617025 /nfs/dbraw/zinc/61/70/25/411617025.db2.gz OLTSMSUHVKDOAD-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO Cc1c(NC2CCC2)nc[nH+]c1NC1CCC1 ZINC000663574857 411704000 /nfs/dbraw/zinc/70/40/00/411704000.db2.gz JCEDLRCWRYHHBS-UHFFFAOYSA-N 1 2 232.331 2.714 20 0 BFADLO CC1=CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663870222 411765642 /nfs/dbraw/zinc/76/56/42/411765642.db2.gz AVTVFPAYBSBYEJ-UHFFFAOYSA-N 1 2 239.322 2.973 20 0 BFADLO O[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(F)F ZINC000661412479 411770070 /nfs/dbraw/zinc/77/00/70/411770070.db2.gz GJDGNHHNGLVEHH-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO O[C@@H]1CC[N@@H+](CCC2=CCCCC2)CC1(F)F ZINC000661412479 411770072 /nfs/dbraw/zinc/77/00/72/411770072.db2.gz GJDGNHHNGLVEHH-GFCCVEGCSA-N 1 2 245.313 2.579 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2cscn2)nc1 ZINC000661413866 411770804 /nfs/dbraw/zinc/77/08/04/411770804.db2.gz HYLUWIFZPVTPCL-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO Cn1c[nH+]cc1CN1CC[C@H]1c1ccc(F)cc1 ZINC000661514748 411793911 /nfs/dbraw/zinc/79/39/11/411793911.db2.gz ZURHXNWWELIBDW-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nc(N2C[C@@H](C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000663947795 411787724 /nfs/dbraw/zinc/78/77/24/411787724.db2.gz SCCRRZVRRJYORE-NXEZZACHSA-N 1 2 231.343 2.508 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000191633277 170689581 /nfs/dbraw/zinc/68/95/81/170689581.db2.gz PXEKLNQFXKJZBI-SECBINFHSA-N 1 2 206.289 2.765 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661875862 411912724 /nfs/dbraw/zinc/91/27/24/411912724.db2.gz QMXMJXSQHJDCBY-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661875862 411912728 /nfs/dbraw/zinc/91/27/28/411912728.db2.gz QMXMJXSQHJDCBY-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO COCc1csc(CNc2cc(C)[nH+]cn2)c1 ZINC000664384427 411937116 /nfs/dbraw/zinc/93/71/16/411937116.db2.gz KHQYBHLPCNXZIH-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO COC1CC(CCNc2cc[nH+]c(C3CC3)n2)C1 ZINC000664143439 411871469 /nfs/dbraw/zinc/87/14/69/411871469.db2.gz REQGRZUJWKKHCE-UHFFFAOYSA-N 1 2 247.342 2.581 20 0 BFADLO CC(C)CC1([NH2+]Cc2nnsc2Cl)CC1 ZINC000662070514 411972686 /nfs/dbraw/zinc/97/26/86/411972686.db2.gz RGVRUDWXLUABBH-UHFFFAOYSA-N 1 2 245.779 2.860 20 0 BFADLO Cc1nc2[nH]ccc2c(NCC2=CCCC2)[nH+]1 ZINC000664541217 411980020 /nfs/dbraw/zinc/98/00/20/411980020.db2.gz AXEKUFXTCPCULB-UHFFFAOYSA-N 1 2 228.299 2.789 20 0 BFADLO C[C@H](c1ccccc1)[C@@H](O)CNc1cccc[nH+]1 ZINC000664611216 411997882 /nfs/dbraw/zinc/99/78/82/411997882.db2.gz BPSQUVBKKLXJFD-OCCSQVGLSA-N 1 2 242.322 2.658 20 0 BFADLO CO[C@@]1(C)C[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000664607171 411998080 /nfs/dbraw/zinc/99/80/80/411998080.db2.gz XNZRDUABSRSPFB-OCCSQVGLSA-N 1 2 228.295 2.824 20 0 BFADLO CC1(C)CC(Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000664626817 412001727 /nfs/dbraw/zinc/00/17/27/412001727.db2.gz GTMUIKYWRDITRS-UHFFFAOYSA-N 1 2 232.331 2.651 20 0 BFADLO CC1(C)CC(Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000664626817 412001730 /nfs/dbraw/zinc/00/17/30/412001730.db2.gz GTMUIKYWRDITRS-UHFFFAOYSA-N 1 2 232.331 2.651 20 0 BFADLO CC[C@@H]([NH2+][C@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000227769519 170911743 /nfs/dbraw/zinc/91/17/43/170911743.db2.gz MNCXPJNRWPRAJV-KGLIPLIRSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cc(N2CC3CC2(C)C3)nc(C2CC2)[nH+]1 ZINC000664694937 412011701 /nfs/dbraw/zinc/01/17/01/412011701.db2.gz XDWGBIZXDCFZPE-UHFFFAOYSA-N 1 2 229.327 2.651 20 0 BFADLO C[C@@]1(CNc2cc[nH+]c3ccncc23)CC1(F)F ZINC000664401791 411944188 /nfs/dbraw/zinc/94/41/88/411944188.db2.gz VQHYYKVGEQYANN-LBPRGKRZSA-N 1 2 249.264 2.509 20 0 BFADLO Cc1nc(NCC[C@]2(C)CC2(F)F)cc[nH+]1 ZINC000664399837 411944771 /nfs/dbraw/zinc/94/47/71/411944771.db2.gz RHWHMBQXPQBIKN-SNVBAGLBSA-N 1 2 227.258 2.632 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@@H]1c1cccnc1 ZINC000664822722 412026606 /nfs/dbraw/zinc/02/66/06/412026606.db2.gz BRXYHTIUGJCXOM-CYBMUJFWSA-N 1 2 243.310 2.653 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@@H]1c1cccnc1 ZINC000664822722 412026608 /nfs/dbraw/zinc/02/66/08/412026608.db2.gz BRXYHTIUGJCXOM-CYBMUJFWSA-N 1 2 243.310 2.653 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@H]1c1ccncc1 ZINC000664830807 412029317 /nfs/dbraw/zinc/02/93/17/412029317.db2.gz AFBONIJPXBPDNA-ZDUSSCGKSA-N 1 2 243.310 2.653 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@H]1c1ccncc1 ZINC000664830807 412029320 /nfs/dbraw/zinc/02/93/20/412029320.db2.gz AFBONIJPXBPDNA-ZDUSSCGKSA-N 1 2 243.310 2.653 20 0 BFADLO c1n[nH]c2c1C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000664861833 412033679 /nfs/dbraw/zinc/03/36/79/412033679.db2.gz ZFPUPPYKGHGAOB-UPJWGTAASA-N 1 2 245.370 2.594 20 0 BFADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)CCC2 ZINC000664861833 412033682 /nfs/dbraw/zinc/03/36/82/412033682.db2.gz ZFPUPPYKGHGAOB-UPJWGTAASA-N 1 2 245.370 2.594 20 0 BFADLO C/C=C(\C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664985605 412056669 /nfs/dbraw/zinc/05/66/69/412056669.db2.gz TWPKBAXAABBOEC-RUDMXATFSA-N 1 2 229.283 2.787 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000352720378 171088140 /nfs/dbraw/zinc/08/81/40/171088140.db2.gz UCMSHKNGFSCCMS-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000352720378 171088143 /nfs/dbraw/zinc/08/81/43/171088143.db2.gz UCMSHKNGFSCCMS-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@](C)(O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803611 171186352 /nfs/dbraw/zinc/18/63/52/171186352.db2.gz JTCMEYQRHYZSMQ-SNVBAGLBSA-N 1 2 248.248 2.673 20 0 BFADLO CC[C@H](C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296352968 171256633 /nfs/dbraw/zinc/25/66/33/171256633.db2.gz ZBJMBKQWQJEIAP-VIFPVBQESA-N 1 2 246.310 2.833 20 0 BFADLO CC[C@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000191457632 171263220 /nfs/dbraw/zinc/26/32/20/171263220.db2.gz LUDQCLKWMXITBZ-VIFPVBQESA-N 1 2 206.289 2.765 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1c[nH+]ccc1OC ZINC000286146502 171268072 /nfs/dbraw/zinc/26/80/72/171268072.db2.gz XCKDLSKBDPJNSY-JTQLQIEISA-N 1 2 236.315 2.855 20 0 BFADLO CC[C@H](C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000050506865 171286967 /nfs/dbraw/zinc/28/69/67/171286967.db2.gz GIQWFRCQWDVEOZ-AAEUAGOBSA-N 1 2 235.327 2.536 20 0 BFADLO CC[C@H](C)N(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302081655 171309160 /nfs/dbraw/zinc/30/91/60/171309160.db2.gz JINXZJIKHUYWBR-JTQLQIEISA-N 1 2 233.359 2.899 20 0 BFADLO CC[C@H](C)[C@@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336733421 171378470 /nfs/dbraw/zinc/37/84/70/171378470.db2.gz KANWRNGOYCFVJE-WPRPVWTQSA-N 1 2 242.750 2.862 20 0 BFADLO CC[C@H](C)[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000035019310 171399536 /nfs/dbraw/zinc/39/95/36/171399536.db2.gz SPBCGSXCENYDTF-OBJOEFQTSA-N 1 2 249.354 2.925 20 0 BFADLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000035043247 171399588 /nfs/dbraw/zinc/39/95/88/171399588.db2.gz JPYLFNSATSBTKY-JSGCOSHPSA-N 1 2 249.354 2.672 20 0 BFADLO C[C@]1(C(F)F)C[N@H+](Cc2cccs2)CCO1 ZINC000662372732 412130272 /nfs/dbraw/zinc/13/02/72/412130272.db2.gz WSQGFVNRWNPIEK-LLVKDONJSA-N 1 2 247.310 2.604 20 0 BFADLO C[C@]1(C(F)F)C[N@@H+](Cc2cccs2)CCO1 ZINC000662372732 412130275 /nfs/dbraw/zinc/13/02/75/412130275.db2.gz WSQGFVNRWNPIEK-LLVKDONJSA-N 1 2 247.310 2.604 20 0 BFADLO CCc1cc(N)nc(SC[C@@H]2C[C@H]3C[C@H]3C2)[nH+]1 ZINC000663245544 412400416 /nfs/dbraw/zinc/40/04/16/412400416.db2.gz QYLPTZIUKDNPLA-ILWJIGKKSA-N 1 2 249.383 2.759 20 0 BFADLO CCc1nc([C@H]2CCCC[N@@H+]2CCCF)no1 ZINC000363787331 172007965 /nfs/dbraw/zinc/00/79/65/172007965.db2.gz IPRTYROQEFJLIY-SNVBAGLBSA-N 1 2 241.310 2.519 20 0 BFADLO CCc1nc([C@H]2CCCC[N@H+]2CCCF)no1 ZINC000363787331 172007967 /nfs/dbraw/zinc/00/79/67/172007967.db2.gz IPRTYROQEFJLIY-SNVBAGLBSA-N 1 2 241.310 2.519 20 0 BFADLO CCc1nc2cc(NCc3[nH]cc[nH+]3)ccc2o1 ZINC000049715582 172011654 /nfs/dbraw/zinc/01/16/54/172011654.db2.gz PPPSWNABHUEXCZ-UHFFFAOYSA-N 1 2 242.282 2.725 20 0 BFADLO CCc1nnc(C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000123642469 172047817 /nfs/dbraw/zinc/04/78/17/172047817.db2.gz MNWBNTKMBZMOGS-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nnc(C[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000123642469 172047818 /nfs/dbraw/zinc/04/78/18/172047818.db2.gz MNWBNTKMBZMOGS-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000182311463 172053618 /nfs/dbraw/zinc/05/36/18/172053618.db2.gz MFQLAXVKFJJEFE-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1noc(C)c1C[N@@H+]1CCC=C(F)C1 ZINC000272464771 172074714 /nfs/dbraw/zinc/07/47/14/172074714.db2.gz KRPRJRBDODZIIJ-UHFFFAOYSA-N 1 2 224.279 2.605 20 0 BFADLO CCc1noc(C)c1C[N@H+]1CCC=C(F)C1 ZINC000272464771 172074716 /nfs/dbraw/zinc/07/47/16/172074716.db2.gz KRPRJRBDODZIIJ-UHFFFAOYSA-N 1 2 224.279 2.605 20 0 BFADLO CCc1nocc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000293533669 172096026 /nfs/dbraw/zinc/09/60/26/172096026.db2.gz XFYXWVQAFUWGKY-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nocc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000293533669 172096027 /nfs/dbraw/zinc/09/60/27/172096027.db2.gz XFYXWVQAFUWGKY-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCn1ccnc1C[N@H+](Cc1ccco1)C(C)C ZINC000336712567 172219568 /nfs/dbraw/zinc/21/95/68/172219568.db2.gz OSFYYESXFAQFBC-UHFFFAOYSA-N 1 2 247.342 2.907 20 0 BFADLO CCn1ccnc1C[N@@H+](Cc1ccco1)C(C)C ZINC000336712567 172219571 /nfs/dbraw/zinc/21/95/71/172219571.db2.gz OSFYYESXFAQFBC-UHFFFAOYSA-N 1 2 247.342 2.907 20 0 BFADLO CCn1cc[nH+]c1CN(Cc1ccco1)C(C)C ZINC000336712567 172219573 /nfs/dbraw/zinc/21/95/73/172219573.db2.gz OSFYYESXFAQFBC-UHFFFAOYSA-N 1 2 247.342 2.907 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(C)cc1 ZINC000051920944 172224055 /nfs/dbraw/zinc/22/40/55/172224055.db2.gz PEVJCQLISBDZEE-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CN(Cc1ccco1)c1cc[nH+]c(C2CC2)n1 ZINC000110113757 172892084 /nfs/dbraw/zinc/89/20/84/172892084.db2.gz VHKUCQIFDZVYCY-UHFFFAOYSA-N 1 2 229.283 2.583 20 0 BFADLO C[NH+]1CCN(Cc2cc3ccccc3s2)CC1 ZINC000154403453 173087268 /nfs/dbraw/zinc/08/72/68/173087268.db2.gz TYOAPUWVAASGRY-UHFFFAOYSA-N 1 2 246.379 2.649 20 0 BFADLO COC1CCC(CNc2cccc[nH+]2)CC1 ZINC000336759135 174022033 /nfs/dbraw/zinc/02/20/33/174022033.db2.gz ISEOWMSGWMEGAX-UHFFFAOYSA-N 1 2 220.316 2.699 20 0 BFADLO COCCC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000152516010 174157905 /nfs/dbraw/zinc/15/79/05/174157905.db2.gz MXNPWCNZFQKSHU-UHFFFAOYSA-N 1 2 247.342 2.583 20 0 BFADLO COCCCC[N@H+](C)c1ccc(C)cc1 ZINC000117877200 174189470 /nfs/dbraw/zinc/18/94/70/174189470.db2.gz PLCJPAOXOTUQFS-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO COCCCC[N@@H+](C)c1ccc(C)cc1 ZINC000117877200 174189472 /nfs/dbraw/zinc/18/94/72/174189472.db2.gz PLCJPAOXOTUQFS-UHFFFAOYSA-N 1 2 207.317 2.858 20 0 BFADLO COCCCSCc1cc(OC)cc(C)[nH+]1 ZINC000275655564 174258532 /nfs/dbraw/zinc/25/85/32/174258532.db2.gz OJJVQYJTCXEVAO-UHFFFAOYSA-N 1 2 241.356 2.668 20 0 BFADLO COCCC[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309429742 174261912 /nfs/dbraw/zinc/26/19/12/174261912.db2.gz FZRLIJPHDDYWMD-PSASIEDQSA-N 1 2 239.281 2.732 20 0 BFADLO COCC[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309062093 174384780 /nfs/dbraw/zinc/38/47/80/174384780.db2.gz XJFLZVBTDYFPNX-BDAKNGLRSA-N 1 2 227.270 2.588 20 0 BFADLO COCC[C@@H](C)SCc1c[nH+]ccc1OC ZINC000289382163 174388456 /nfs/dbraw/zinc/38/84/56/174388456.db2.gz KPNLGQDEPYVMQF-SNVBAGLBSA-N 1 2 241.356 2.748 20 0 BFADLO COCc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294038750 174633011 /nfs/dbraw/zinc/63/30/11/174633011.db2.gz ILFOGODNDRVZQY-CYBMUJFWSA-N 1 2 243.310 2.586 20 0 BFADLO COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000258280178 175040668 /nfs/dbraw/zinc/04/06/68/175040668.db2.gz NPYOVQPSSBDZPF-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO COc1ccc(C)cc1-c1ccc(N)[nH+]c1 ZINC000055243880 175072687 /nfs/dbraw/zinc/07/26/87/175072687.db2.gz OELCVSPDYLWYFZ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1ccc(C)cc1Nc1[nH+]cccc1N ZINC000020317819 175079280 /nfs/dbraw/zinc/07/92/80/175079280.db2.gz QJLYYQMIKCGZTC-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000293967970 175124334 /nfs/dbraw/zinc/12/43/34/175124334.db2.gz JYRUWAFJDOAJBD-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H]2CF)c1 ZINC000293967970 175124337 /nfs/dbraw/zinc/12/43/37/175124337.db2.gz JYRUWAFJDOAJBD-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CF ZINC000292939906 175128312 /nfs/dbraw/zinc/12/83/12/175128312.db2.gz DDOXCGGDGJFWLI-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CCC[C@H]1CF ZINC000292939906 175128314 /nfs/dbraw/zinc/12/83/14/175128314.db2.gz DDOXCGGDGJFWLI-LBPRGKRZSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc([NH2+]CC2CC2)c(OC)c1 ZINC000037118250 175150390 /nfs/dbraw/zinc/15/03/90/175150390.db2.gz NMNFBYOCCRWPBU-UHFFFAOYSA-N 1 2 207.273 2.526 20 0 BFADLO COc1ccc([NH2+]CC2CCOCC2)cc1 ZINC000052171945 175150467 /nfs/dbraw/zinc/15/04/67/175150467.db2.gz NXLVDFOFUYKTQS-UHFFFAOYSA-N 1 2 221.300 2.534 20 0 BFADLO COc1ccc([NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000087247954 175150751 /nfs/dbraw/zinc/15/07/51/175150751.db2.gz NZEPEEODFOAGOZ-GFCCVEGCSA-N 1 2 235.327 2.985 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148717423 175176922 /nfs/dbraw/zinc/17/69/22/175176922.db2.gz DAJUBEPTCZMEJB-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccc2[nH+]c(C)nc(NC3CC3)c2c1 ZINC000301981203 175227780 /nfs/dbraw/zinc/22/77/80/175227780.db2.gz XXKTYDMNELTVLZ-UHFFFAOYSA-N 1 2 229.283 2.521 20 0 BFADLO COc1ccc2oc(C[NH2+]CC(F)F)cc2c1 ZINC000290105219 175231235 /nfs/dbraw/zinc/23/12/35/175231235.db2.gz NTWFHJUMKHDHSS-UHFFFAOYSA-N 1 2 241.237 2.796 20 0 BFADLO COc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000271641491 175256888 /nfs/dbraw/zinc/25/68/88/175256888.db2.gz PVLCTKHNJKCUDP-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO COc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000271641491 175256890 /nfs/dbraw/zinc/25/68/90/175256890.db2.gz PVLCTKHNJKCUDP-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO COc1cccc(CNc2ccc(C)[nH+]c2C)n1 ZINC000189431802 175268535 /nfs/dbraw/zinc/26/85/35/175268535.db2.gz FZCSWDKHYCWTIO-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO COc1cccc(OC)c1C[NH2+]Cc1ccoc1 ZINC000285504692 175281889 /nfs/dbraw/zinc/28/18/89/175281889.db2.gz QILQUKMPZAZZNP-UHFFFAOYSA-N 1 2 247.294 2.587 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2ccon2)c1 ZINC000093978121 175286528 /nfs/dbraw/zinc/28/65/28/175286528.db2.gz OWSWJRVHYAWPTP-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO COc1cccc([C@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC000266409106 175294465 /nfs/dbraw/zinc/29/44/65/175294465.db2.gz QHMHHXDOASBBKZ-JTQLQIEISA-N 1 2 243.310 2.967 20 0 BFADLO COc1cccc2c1cc[nH+]c2N1CCCC1 ZINC000310083716 175300474 /nfs/dbraw/zinc/30/04/74/175300474.db2.gz LSSVXJUOJYNXGR-UHFFFAOYSA-N 1 2 228.295 2.844 20 0 BFADLO COc1ccccc1CCCn1cc[nH+]c1 ZINC000164293649 175322997 /nfs/dbraw/zinc/32/29/97/175322997.db2.gz AGOJQDHZUJRFGE-UHFFFAOYSA-N 1 2 216.284 2.525 20 0 BFADLO COc1ccccc1SCCn1cc[nH+]c1 ZINC000121904202 175343604 /nfs/dbraw/zinc/34/36/04/175343604.db2.gz WTAIYKLDGJHLNB-UHFFFAOYSA-N 1 2 234.324 2.684 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000138948016 175352364 /nfs/dbraw/zinc/35/23/64/175352364.db2.gz XHWAFYXZTNDQDZ-WDEREUQCSA-N 1 2 245.326 2.830 20 0 BFADLO COc1cc[nH+]cc1CS[C@@H]1CCO[C@@H]1C ZINC000286559068 175373437 /nfs/dbraw/zinc/37/34/37/175373437.db2.gz PUVRDUQJRYORMZ-BXKDBHETSA-N 1 2 239.340 2.501 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C1CCCCC1 ZINC000286899302 175373790 /nfs/dbraw/zinc/37/37/90/175373790.db2.gz CHAKTTVGFCYPAK-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000184689974 175374745 /nfs/dbraw/zinc/37/47/45/175374745.db2.gz VDJCFKMZIPOVTA-GHMZBOCLSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCCC1(C)C ZINC000274559211 175374857 /nfs/dbraw/zinc/37/48/57/175374857.db2.gz AEJFRRQREUQHCH-JTQLQIEISA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000126580934 175375175 /nfs/dbraw/zinc/37/51/75/175375175.db2.gz ONSKIUZPRMHZAH-QWRGUYRKSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000185779027 175375729 /nfs/dbraw/zinc/37/57/29/175375729.db2.gz LKBPKHBHVBLQBY-IINYFYTJSA-N 1 2 248.326 2.711 20 0 BFADLO COc1ccsc1C[NH2+][C@@H](C)c1ccon1 ZINC000309878383 175378101 /nfs/dbraw/zinc/37/81/01/175378101.db2.gz UHYFXZMMUPFGHS-QMMMGPOBSA-N 1 2 238.312 2.596 20 0 BFADLO COc1cncc(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000290147588 175384035 /nfs/dbraw/zinc/38/40/35/175384035.db2.gz CNYTUTHNBDEQID-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cncc(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000290147588 175384037 /nfs/dbraw/zinc/38/40/37/175384037.db2.gz CNYTUTHNBDEQID-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cnccn1 ZINC000080966952 176025658 /nfs/dbraw/zinc/02/56/58/176025658.db2.gz QRPGZZPRZZCPQA-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cnccn1 ZINC000080966952 176025660 /nfs/dbraw/zinc/02/56/60/176025660.db2.gz QRPGZZPRZZCPQA-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](C)Cc1nccs1 ZINC000269618715 176032107 /nfs/dbraw/zinc/03/21/07/176032107.db2.gz DLUOZIFLMNNRCA-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1nccs1 ZINC000269618715 176032109 /nfs/dbraw/zinc/03/21/09/176032109.db2.gz DLUOZIFLMNNRCA-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339565098 176038182 /nfs/dbraw/zinc/03/81/82/176038182.db2.gz LFMOGJYCBQFZDX-UTLUCORTSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339565098 176038183 /nfs/dbraw/zinc/03/81/83/176038183.db2.gz LFMOGJYCBQFZDX-UTLUCORTSA-N 1 2 237.347 2.768 20 0 BFADLO C[C@@H]1CCCCN1c1[nH+]c2ccccc2n1C ZINC000179278803 176074995 /nfs/dbraw/zinc/07/49/95/176074995.db2.gz BEFQIJYTSZNNLV-LLVKDONJSA-N 1 2 229.327 2.952 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110542740 176151087 /nfs/dbraw/zinc/15/10/87/176151087.db2.gz LIUOTBMIPGGFDE-MWLCHTKSSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@@H]1CCN(c2cc(NCC3CC3)[nH+]cn2)[C@@H]1C ZINC000301836195 176182019 /nfs/dbraw/zinc/18/20/19/176182019.db2.gz VCSMBFYJVSWIEC-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCN(c2cc(NCC3CC3)nc[nH+]2)[C@@H]1C ZINC000301836195 176182020 /nfs/dbraw/zinc/18/20/20/176182020.db2.gz VCSMBFYJVSWIEC-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@@H]1C ZINC000270600222 176182651 /nfs/dbraw/zinc/18/26/51/176182651.db2.gz VSJSCADDAXRCRI-NXEZZACHSA-N 1 2 215.300 2.798 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000302569104 176214022 /nfs/dbraw/zinc/21/40/22/176214022.db2.gz YAQZGNRPYRDZHZ-MWLCHTKSSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@@H]1CC[C@H]([NH+]=c2[nH]c3c(cccc3F)n2C)C1 ZINC000355680679 176231747 /nfs/dbraw/zinc/23/17/47/176231747.db2.gz YKATULIWZWPGPK-ZJUUUORDSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000179866077 176279635 /nfs/dbraw/zinc/27/96/35/176279635.db2.gz BNDVOCWTSVBNCT-QAVQXKDTSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000179866077 176279636 /nfs/dbraw/zinc/27/96/36/176279636.db2.gz BNDVOCWTSVBNCT-QAVQXKDTSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2Cl)[C@H](C)CO1 ZINC000045784342 176308114 /nfs/dbraw/zinc/30/81/14/176308114.db2.gz QLKQXIFYAJFKEJ-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2Cl)[C@H](C)CO1 ZINC000045784342 176308116 /nfs/dbraw/zinc/30/81/16/176308116.db2.gz QLKQXIFYAJFKEJ-GHMZBOCLSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1C[N@H+](Cc2noc(-c3ccsc3)n2)[C@@H]1C ZINC000293514207 176313497 /nfs/dbraw/zinc/31/34/97/176313497.db2.gz VJSUZYNBYRVTIM-RKDXNWHRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2noc(-c3ccsc3)n2)[C@@H]1C ZINC000293514207 176313498 /nfs/dbraw/zinc/31/34/98/176313498.db2.gz VJSUZYNBYRVTIM-RKDXNWHRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000339586241 176317190 /nfs/dbraw/zinc/31/71/90/176317190.db2.gz FLIBAYULJPCGLW-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCO[C@H](C)C1 ZINC000339586241 176317192 /nfs/dbraw/zinc/31/71/92/176317192.db2.gz FLIBAYULJPCGLW-NXEZZACHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCO3)CCO1 ZINC000070354472 176380670 /nfs/dbraw/zinc/38/06/70/176380670.db2.gz KFGUSVMRVYPSLH-MFKMUULPSA-N 1 2 233.311 2.601 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1cocn1 ZINC000191922402 177038624 /nfs/dbraw/zinc/03/86/24/177038624.db2.gz NBSIXDBYTHPLSY-LLVKDONJSA-N 1 2 216.284 2.868 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1cocn1 ZINC000191922402 177038625 /nfs/dbraw/zinc/03/86/25/177038625.db2.gz NBSIXDBYTHPLSY-LLVKDONJSA-N 1 2 216.284 2.868 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1cc[nH]n1 ZINC000157867334 177049057 /nfs/dbraw/zinc/04/90/57/177049057.db2.gz CXKRLEHMOSQGEL-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1cc[nH]n1 ZINC000157867334 177049059 /nfs/dbraw/zinc/04/90/59/177049059.db2.gz CXKRLEHMOSQGEL-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)C(C)(C)C ZINC000357954648 177053495 /nfs/dbraw/zinc/05/34/95/177053495.db2.gz VUFCCCGQPMWSPY-SECBINFHSA-N 1 2 248.330 2.544 20 0 BFADLO C[C@H]1CC(Nc2cc[nH+]c(C3CC3)n2)C[C@H](C)O1 ZINC000162265662 177066315 /nfs/dbraw/zinc/06/63/15/177066315.db2.gz VHGMCOFPSKXHCM-UWVGGRQHSA-N 1 2 247.342 2.722 20 0 BFADLO C[C@H]1CCCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000227841195 177089849 /nfs/dbraw/zinc/08/98/49/177089849.db2.gz GQGIJHUYKVNQGZ-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000227841195 177089851 /nfs/dbraw/zinc/08/98/51/177089851.db2.gz GQGIJHUYKVNQGZ-JGVFFNPUSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000307676708 177110495 /nfs/dbraw/zinc/11/04/95/177110495.db2.gz HWIZKFJBMFLJNK-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000307676708 177110496 /nfs/dbraw/zinc/11/04/96/177110496.db2.gz HWIZKFJBMFLJNK-ZETCQYMHSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1ncc(Cl)n1C ZINC000264561107 177132314 /nfs/dbraw/zinc/13/23/14/177132314.db2.gz OLTPLKGCCLKHKI-UWVGGRQHSA-N 1 2 241.766 2.836 20 0 BFADLO C[C@H]1CCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000359931210 177139674 /nfs/dbraw/zinc/13/96/74/177139674.db2.gz IZODPXYQEXZXLK-JQWIXIFHSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@H]1CCC[C@H]1[NH+]=c1[nH]c2cccc(F)c2n1C ZINC000336918960 177140613 /nfs/dbraw/zinc/14/06/13/177140613.db2.gz FBLJFFBDGUZMDO-GXSJLCMTSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)[C@H]1C ZINC000270543727 177171944 /nfs/dbraw/zinc/17/19/44/177171944.db2.gz CYDSNJRVVYUDJW-QWRGUYRKSA-N 1 2 229.327 2.808 20 0 BFADLO C[C@H]1CCSCCN1c1cc[nH+]c(C2CC2)n1 ZINC000276915429 177179798 /nfs/dbraw/zinc/17/97/98/177179798.db2.gz XWDLABWMNAWRBA-JTQLQIEISA-N 1 2 249.383 2.686 20 0 BFADLO C[C@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000360103245 177201770 /nfs/dbraw/zinc/20/17/70/177201770.db2.gz VAPYQGTUSUGKPY-QWRGUYRKSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@H]1CC[C@H](OC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000274336223 177205871 /nfs/dbraw/zinc/20/58/71/177205871.db2.gz MYMLNVKQYFJWLM-JQWIXIFHSA-N 1 2 244.294 2.680 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000156556964 177260865 /nfs/dbraw/zinc/26/08/65/177260865.db2.gz WICPFIVMTKTULI-AOOOYVTPSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000156556964 177260867 /nfs/dbraw/zinc/26/08/67/177260867.db2.gz WICPFIVMTKTULI-AOOOYVTPSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000219741690 177274710 /nfs/dbraw/zinc/27/47/10/177274710.db2.gz GNHINBPWBJPMRQ-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000219741690 177274711 /nfs/dbraw/zinc/27/47/11/177274711.db2.gz GNHINBPWBJPMRQ-WDEREUQCSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H]1CN(c2cccc[nH+]2)Cc2ccccc2O1 ZINC000292439284 177277679 /nfs/dbraw/zinc/27/76/79/177277679.db2.gz YFXKJSZZMCZQTB-LBPRGKRZSA-N 1 2 240.306 2.869 20 0 BFADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)S1 ZINC000301885963 177277873 /nfs/dbraw/zinc/27/78/73/177277873.db2.gz OWWWXXWQYUPXHT-UWVGGRQHSA-N 1 2 247.367 2.893 20 0 BFADLO C[C@H]1COCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000195073360 177295455 /nfs/dbraw/zinc/29/54/55/177295455.db2.gz SCPVNDDQAQETHX-FZMZJTMJSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H]1COCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000195073360 177295456 /nfs/dbraw/zinc/29/54/56/177295456.db2.gz SCPVNDDQAQETHX-FZMZJTMJSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)C2(C)CCCC2)c2[nH+]ccn21 ZINC000335152593 177329050 /nfs/dbraw/zinc/32/90/50/177329050.db2.gz AMPUTDQOOMWPOE-WDEREUQCSA-N 1 2 247.342 2.585 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cocn1 ZINC000295088858 177355241 /nfs/dbraw/zinc/35/52/41/177355241.db2.gz SXAFOJDTXHISNF-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cocn1 ZINC000295088858 177355243 /nfs/dbraw/zinc/35/52/43/177355243.db2.gz SXAFOJDTXHISNF-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@H]1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000488430438 225396417 /nfs/dbraw/zinc/39/64/17/225396417.db2.gz DTYBZRWWLNEDSF-RYUDHWBXSA-N 1 2 231.343 2.750 20 0 BFADLO Cc1cccc(F)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492812705 226058938 /nfs/dbraw/zinc/05/89/38/226058938.db2.gz NLHNKGBPIIJRIN-AATRIKPKSA-N 1 2 245.257 2.509 20 0 BFADLO Cc1cc(C)cc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492913555 226083234 /nfs/dbraw/zinc/08/32/34/226083234.db2.gz QTQSYMDYQNBIEL-ARJAWSKDSA-N 1 2 241.294 2.678 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NCC1CCCCCC1 ZINC000493166340 226144042 /nfs/dbraw/zinc/14/40/42/226144042.db2.gz YHFPOLLMTOBPBA-BQYQJAHWSA-N 1 2 247.342 2.510 20 0 BFADLO C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC000493254277 226166502 /nfs/dbraw/zinc/16/65/02/226166502.db2.gz LQJQGUFNXXVBOY-AEZGRPFRSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1C ZINC000493414142 226208941 /nfs/dbraw/zinc/20/89/41/226208941.db2.gz BLUMFXKVFBPRHX-WAYWQWQTSA-N 1 2 241.294 2.678 20 0 BFADLO C[C@@H](F)CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000505508201 226356142 /nfs/dbraw/zinc/35/61/42/226356142.db2.gz VVDRLRLSSNMRLT-LLVKDONJSA-N 1 2 234.274 2.999 20 0 BFADLO C[C@@H](CO)C[N@@H+]1CCCCCc2ccccc21 ZINC000678045893 487650019 /nfs/dbraw/zinc/65/00/19/487650019.db2.gz IJFYDJZGUCITQO-CYBMUJFWSA-N 1 2 233.355 2.848 20 0 BFADLO C[C@@H](CO)C[N@H+]1CCCCCc2ccccc21 ZINC000678045893 487650022 /nfs/dbraw/zinc/65/00/22/487650022.db2.gz IJFYDJZGUCITQO-CYBMUJFWSA-N 1 2 233.355 2.848 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1csnn1 ZINC000398309192 262720353 /nfs/dbraw/zinc/72/03/53/262720353.db2.gz YIWZBBWNCNZDAB-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)C(=O)OC ZINC000182922096 487665466 /nfs/dbraw/zinc/66/54/66/487665466.db2.gz RSVUCNRHYQQMFW-TZMCWYRMSA-N 1 2 249.354 2.906 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(O)c1 ZINC000228503486 487667200 /nfs/dbraw/zinc/66/72/00/487667200.db2.gz IQEHYJOOYZTJLN-SFYZADRCSA-N 1 2 215.243 2.696 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(O)c1 ZINC000228503495 487667319 /nfs/dbraw/zinc/66/73/19/487667319.db2.gz IQEHYJOOYZTJLN-YUMQZZPRSA-N 1 2 215.243 2.696 20 0 BFADLO CCC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000232893727 487667795 /nfs/dbraw/zinc/66/77/95/487667795.db2.gz BHNIWQBAEMXNSV-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO COCc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000228507646 487668169 /nfs/dbraw/zinc/66/81/69/487668169.db2.gz QFAVDWAYQTYRCE-VIFPVBQESA-N 1 2 229.270 2.576 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2cccnc21)C(F)F ZINC000228518322 487669604 /nfs/dbraw/zinc/66/96/04/487669604.db2.gz WVBQRWKUWLEVOV-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO Cc1nc(NCC(C)(C)[C@@H]2CCCCO2)cc[nH+]1 ZINC000675154166 487675886 /nfs/dbraw/zinc/67/58/86/487675886.db2.gz BJMDOTIFEDHKTN-LBPRGKRZSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1nc(NCC(C)(C)[C@H]2CCCCO2)cc[nH+]1 ZINC000675154165 487675976 /nfs/dbraw/zinc/67/59/76/487675976.db2.gz BJMDOTIFEDHKTN-GFCCVEGCSA-N 1 2 249.358 2.792 20 0 BFADLO C[C@H](C[C@H]1CCOC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000675292532 487692280 /nfs/dbraw/zinc/69/22/80/487692280.db2.gz ZCAFSNKOMFRRCQ-GHMZBOCLSA-N 1 2 247.342 2.581 20 0 BFADLO CC[C@]1(O)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527968225 262900758 /nfs/dbraw/zinc/90/07/58/262900758.db2.gz QECAKTZLCDUKSE-HNNXBMFYSA-N 1 2 242.322 2.586 20 0 BFADLO CC(C)=CC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714127 487703704 /nfs/dbraw/zinc/70/37/04/487703704.db2.gz NHLGUABIGOVYHK-UWVGGRQHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671714127 487703707 /nfs/dbraw/zinc/70/37/07/487703707.db2.gz NHLGUABIGOVYHK-UWVGGRQHSA-N 1 2 237.265 2.604 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000671715167 487704509 /nfs/dbraw/zinc/70/45/09/487704509.db2.gz QXCGGRFPJNTXTD-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1[C@@H]1C=CCCC1 ZINC000671715167 487704517 /nfs/dbraw/zinc/70/45/17/487704517.db2.gz QXCGGRFPJNTXTD-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000668419776 487722158 /nfs/dbraw/zinc/72/21/58/487722158.db2.gz LOHVGEVHLXVICO-GFCCVEGCSA-N 1 2 244.338 2.721 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCCCC1 ZINC000082753949 487725566 /nfs/dbraw/zinc/72/55/66/487725566.db2.gz IIJSMHQFPYTWQO-UHFFFAOYSA-N 1 2 227.311 2.807 20 0 BFADLO CCC(CC)(CC)C(=O)Nc1cc[nH+]cc1C ZINC000675450252 487732804 /nfs/dbraw/zinc/73/28/04/487732804.db2.gz GXSHHAIOBPCWPP-UHFFFAOYSA-N 1 2 234.343 2.967 20 0 BFADLO Cc1c(N[C@@H](C)c2ccc(C)[nH+]c2C)cnn1C ZINC000679089483 487757647 /nfs/dbraw/zinc/75/76/47/487757647.db2.gz KVENLPUBYKXPDF-NSHDSACASA-N 1 2 244.342 2.913 20 0 BFADLO FC1(F)CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000675638349 487757355 /nfs/dbraw/zinc/75/73/55/487757355.db2.gz DCWSGUNHAJQYJA-VIFPVBQESA-N 1 2 239.269 2.954 20 0 BFADLO C[C@H]1C[C@@H](Nc2c[nH+]cc3c2CCCC3)CCO1 ZINC000668440947 487759363 /nfs/dbraw/zinc/75/93/63/487759363.db2.gz ROKLRTHUPQXHQP-AAEUAGOBSA-N 1 2 246.354 2.940 20 0 BFADLO COCC[C@@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000668441361 487760169 /nfs/dbraw/zinc/76/01/69/487760169.db2.gz UHRVEPVZSHBFPO-LLVKDONJSA-N 1 2 234.343 2.797 20 0 BFADLO c1ccc(N2CC[C@@H](C3CCC3)C2)[nH+]c1 ZINC000665755576 487765306 /nfs/dbraw/zinc/76/53/06/487765306.db2.gz DCULBTPUAJLOBE-GFCCVEGCSA-N 1 2 202.301 2.708 20 0 BFADLO c1ccc(N2CC[C@H](C3CCC3)C2)[nH+]c1 ZINC000665755577 487765702 /nfs/dbraw/zinc/76/57/02/487765702.db2.gz DCULBTPUAJLOBE-LBPRGKRZSA-N 1 2 202.301 2.708 20 0 BFADLO CC(C)[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681273309 487766826 /nfs/dbraw/zinc/76/68/26/487766826.db2.gz JNWCPCKETGQVBR-NEPJUHHUSA-N 1 2 243.310 2.565 20 0 BFADLO CC[C@H](NC(=O)[C@@H](C)C1CCCC1)c1[nH]cc[nH+]1 ZINC000682040974 487768830 /nfs/dbraw/zinc/76/88/30/487768830.db2.gz CXUOXFGFLDFJMF-JQWIXIFHSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](NC(=O)[C@H](C)C1CCCC1)c1[nH]cc[nH+]1 ZINC000682040979 487770027 /nfs/dbraw/zinc/77/00/27/487770027.db2.gz CXUOXFGFLDFJMF-ZYHUDNBSSA-N 1 2 249.358 2.803 20 0 BFADLO CC1=CC[C@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000668448234 487770491 /nfs/dbraw/zinc/77/04/91/487770491.db2.gz MIUHQDVDUSWUPF-AWEZNQCLSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1cc(N2CC[C@@H](C)[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC000679193861 487777313 /nfs/dbraw/zinc/77/73/13/487777313.db2.gz XVZXYKXHLCCBEC-BXKDBHETSA-N 1 2 249.333 2.847 20 0 BFADLO Fc1cccc(C(F)(F)C[NH2+]C2CSC2)c1 ZINC000668481208 487811807 /nfs/dbraw/zinc/81/18/07/487811807.db2.gz DTBOIFZYIMZWSM-UHFFFAOYSA-N 1 2 247.285 2.623 20 0 BFADLO CCC[C@H](CNc1c[nH+]cc(C)c1)OC ZINC000386161111 487833055 /nfs/dbraw/zinc/83/30/55/487833055.db2.gz UUQVDWHZFVAJTG-GFCCVEGCSA-N 1 2 208.305 2.617 20 0 BFADLO C[C@@H]1[C@H](C)C[N@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000842165742 588005584 /nfs/dbraw/zinc/00/55/84/588005584.db2.gz FIMIGYZOQXUNQI-PRJMDXOYSA-N 1 2 227.245 2.863 20 0 BFADLO C[C@@H]1[C@H](C)C[N@@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000842165742 588005586 /nfs/dbraw/zinc/00/55/86/588005586.db2.gz FIMIGYZOQXUNQI-PRJMDXOYSA-N 1 2 227.245 2.863 20 0 BFADLO CC(C)[C@H]1C[N@H+](CC=C(Cl)Cl)CCO1 ZINC000851910309 588642864 /nfs/dbraw/zinc/64/28/64/588642864.db2.gz ODGXDNVXAJVBAR-SECBINFHSA-N 1 2 238.158 2.662 20 0 BFADLO CC(C)[C@H]1C[N@@H+](CC=C(Cl)Cl)CCO1 ZINC000851910309 588642865 /nfs/dbraw/zinc/64/28/65/588642865.db2.gz ODGXDNVXAJVBAR-SECBINFHSA-N 1 2 238.158 2.662 20 0 BFADLO COCC1=CC[N@@H+](CC=C(Cl)Cl)CC1 ZINC000851951225 588647420 /nfs/dbraw/zinc/64/74/20/588647420.db2.gz WJXUZOVXZBZHHU-UHFFFAOYSA-N 1 2 236.142 2.584 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CCC(C2CCC2)CC1 ZINC000668494145 487852377 /nfs/dbraw/zinc/85/23/77/487852377.db2.gz YEUUWHFOYFHIDW-UHFFFAOYSA-N 1 2 233.359 2.730 20 0 BFADLO Cn1c[nH+]c(/C=C\c2nc3ccccc3o2)c1 ZINC000669818977 487857584 /nfs/dbraw/zinc/85/75/84/487857584.db2.gz WXRQDBBSNDZFMU-SREVYHEPSA-N 1 2 225.251 2.732 20 0 BFADLO CC(C)n1ccnc1C[NH+]1CC2(C1)CCCC2 ZINC000668173846 487863381 /nfs/dbraw/zinc/86/33/81/487863381.db2.gz VRAXLCUXOGUQRM-UHFFFAOYSA-N 1 2 233.359 2.840 20 0 BFADLO C[C@@H](Nc1nc2ccccc2o1)c1[nH]cc[nH+]1 ZINC000139912990 487891306 /nfs/dbraw/zinc/89/13/06/487891306.db2.gz MSOJUWPLGGXSGO-MRVPVSSYSA-N 1 2 228.255 2.724 20 0 BFADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(F)F ZINC000676709680 487897112 /nfs/dbraw/zinc/89/71/12/487897112.db2.gz RYCOOMFOQGKWQY-BXKDBHETSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(F)F ZINC000676709680 487897118 /nfs/dbraw/zinc/89/71/18/487897118.db2.gz RYCOOMFOQGKWQY-BXKDBHETSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ccsc2)no1 ZINC000050344921 487944574 /nfs/dbraw/zinc/94/45/74/487944574.db2.gz KHZMAMPTPWHNOY-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CCc1ccc(C[NH+]2CC(OC(F)F)C2)s1 ZINC000556786524 322924312 /nfs/dbraw/zinc/92/43/12/322924312.db2.gz WIMAMJXMAFQURX-UHFFFAOYSA-N 1 2 247.310 2.734 20 0 BFADLO O=C(C1=CCCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000151504426 323016917 /nfs/dbraw/zinc/01/69/17/323016917.db2.gz IMELKNHLLWKPNK-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000562722099 323029070 /nfs/dbraw/zinc/02/90/70/323029070.db2.gz IJMBZIHZZWUMCR-ADEWGFFLSA-N 1 2 242.326 2.867 20 0 BFADLO Cc1c[nH+]c(C)nc1N1Cc2ccccc2C1 ZINC000569861300 323043234 /nfs/dbraw/zinc/04/32/34/323043234.db2.gz BTWPAWVHOZQUBZ-UHFFFAOYSA-N 1 2 225.295 2.614 20 0 BFADLO C[N@H+](CCCCC(F)(F)F)CC(F)F ZINC000152440553 323046979 /nfs/dbraw/zinc/04/69/79/323046979.db2.gz SLTVGSJKPBOFHG-UHFFFAOYSA-N 1 2 219.197 2.916 20 0 BFADLO C[N@@H+](CCCCC(F)(F)F)CC(F)F ZINC000152440553 323046980 /nfs/dbraw/zinc/04/69/80/323046980.db2.gz SLTVGSJKPBOFHG-UHFFFAOYSA-N 1 2 219.197 2.916 20 0 BFADLO FC1(CNc2ccc(N3CCCC3)c[nH+]2)CC1 ZINC000570139250 323050649 /nfs/dbraw/zinc/05/06/49/323050649.db2.gz ZMUKXSCDQVFPSM-UHFFFAOYSA-N 1 2 235.306 2.596 20 0 BFADLO CC(C)(NC(=O)C1=CCCCCC1)c1[nH]cc[nH+]1 ZINC000570689605 323067277 /nfs/dbraw/zinc/06/72/77/323067277.db2.gz QINQXJWDNKRQAC-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC23CC3)c(C)[nH+]1 ZINC000563026152 323080383 /nfs/dbraw/zinc/08/03/83/323080383.db2.gz VWXTZSJRJTURAG-LLVKDONJSA-N 1 2 245.326 2.681 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@H]2CC23CC3)c(C)[nH+]1 ZINC000563026153 323080416 /nfs/dbraw/zinc/08/04/16/323080416.db2.gz VWXTZSJRJTURAG-NSHDSACASA-N 1 2 245.326 2.681 20 0 BFADLO CCC(C)(C)C[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000394558904 323080927 /nfs/dbraw/zinc/08/09/27/323080927.db2.gz KWCWXUISFATJGY-ZDUSSCGKSA-N 1 2 249.354 2.927 20 0 BFADLO COc1ccc([C@@H](C)C[N@H+](C)CC(F)F)cc1 ZINC000540506429 323085029 /nfs/dbraw/zinc/08/50/29/323085029.db2.gz GSQOVLLFECWYAX-JTQLQIEISA-N 1 2 243.297 2.996 20 0 BFADLO COc1ccc([C@@H](C)C[N@@H+](C)CC(F)F)cc1 ZINC000540506429 323085030 /nfs/dbraw/zinc/08/50/30/323085030.db2.gz GSQOVLLFECWYAX-JTQLQIEISA-N 1 2 243.297 2.996 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000531490564 323098568 /nfs/dbraw/zinc/09/85/68/323098568.db2.gz QRLNQGICVQLXFJ-PWSUYJOCSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000531490562 323098626 /nfs/dbraw/zinc/09/86/26/323098626.db2.gz QRLNQGICVQLXFJ-CMPLNLGQSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1ncc(C[NH2+][C@H](C)c2ccccc2F)o1 ZINC000397927864 323101311 /nfs/dbraw/zinc/10/13/11/323101311.db2.gz CEJMSUONQMGTPM-SECBINFHSA-N 1 2 234.274 2.973 20 0 BFADLO CCc1cccc(C[NH+]2CC(OC(F)F)C2)c1 ZINC000563258963 323107071 /nfs/dbraw/zinc/10/70/71/323107071.db2.gz YFALDGIZIIMNBM-UHFFFAOYSA-N 1 2 241.281 2.672 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000534238832 323114866 /nfs/dbraw/zinc/11/48/66/323114866.db2.gz MCSAVWDGHWGBBY-ZJUUUORDSA-N 1 2 215.300 2.798 20 0 BFADLO C[C@H]1C[C@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000534238830 323114937 /nfs/dbraw/zinc/11/49/37/323114937.db2.gz MCSAVWDGHWGBBY-UWVGGRQHSA-N 1 2 215.300 2.798 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2[nH]c3ccccc3[nH+]2)C1 ZINC000534238821 323114957 /nfs/dbraw/zinc/11/49/57/323114957.db2.gz MCSAVWDGHWGBBY-NXEZZACHSA-N 1 2 215.300 2.798 20 0 BFADLO CC[C@H](C)CN(C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534323966 323116442 /nfs/dbraw/zinc/11/64/42/323116442.db2.gz FJBBXJCYGBFUQQ-JTQLQIEISA-N 1 2 249.358 2.630 20 0 BFADLO Cc1cc(C)nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)n1 ZINC000563526251 323129116 /nfs/dbraw/zinc/12/91/16/323129116.db2.gz PBROWWWADOFDFY-LLVKDONJSA-N 1 2 245.330 2.626 20 0 BFADLO CCCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000571214656 323138112 /nfs/dbraw/zinc/13/81/12/323138112.db2.gz RAQGAUDRSBVXGM-GFCCVEGCSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1[nH+]c2ccccc2n1C ZINC000534974342 323162438 /nfs/dbraw/zinc/16/24/38/323162438.db2.gz LZPFMZAKKJCBAZ-WDEREUQCSA-N 1 2 229.327 2.808 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2[nH+]c3ccccc3n2C)C1 ZINC000534974339 323162450 /nfs/dbraw/zinc/16/24/50/323162450.db2.gz LZPFMZAKKJCBAZ-GHMZBOCLSA-N 1 2 229.327 2.808 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2csnn2)cs1 ZINC000398410714 323185543 /nfs/dbraw/zinc/18/55/43/323185543.db2.gz LTQLSXPAULUKRX-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C(C)(C)C)c(C)c[nH+]1 ZINC000535748837 323190445 /nfs/dbraw/zinc/19/04/45/323190445.db2.gz KSPMOOGIZMBTMF-LLVKDONJSA-N 1 2 234.343 2.741 20 0 BFADLO Cc1cc(NC(=O)N(C)CC(C)(C)C)c(C)c[nH+]1 ZINC000535773521 323190784 /nfs/dbraw/zinc/19/07/84/323190784.db2.gz WERRELOXVCYOJT-UHFFFAOYSA-N 1 2 249.358 2.630 20 0 BFADLO Cc1cc(NC(=O)C2(C)CCCC2)c(C)c[nH+]1 ZINC000536574564 323197860 /nfs/dbraw/zinc/19/78/60/323197860.db2.gz DRFPNFXLNHFOLK-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO Cc1ccsc1C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574772 323198091 /nfs/dbraw/zinc/19/80/91/323198091.db2.gz CYUFSAGGOCGSGF-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO Cc1c(Cl)cccc1OCc1c[nH+]cn1C ZINC000530181336 323205689 /nfs/dbraw/zinc/20/56/89/323205689.db2.gz MDTUSZJROKBCAO-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO Cn1ccc2c1cccc2NCc1c[nH+]cn1C ZINC000532352811 323256190 /nfs/dbraw/zinc/25/61/90/323256190.db2.gz DITQBBHVKVGBMB-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO COCCCCOc1ccccc1-n1cc[nH+]c1 ZINC000532680691 323287923 /nfs/dbraw/zinc/28/79/23/323287923.db2.gz ARJSFGKSUZUSNG-UHFFFAOYSA-N 1 2 246.310 2.678 20 0 BFADLO C[C@@H]1C[N@H+](CC2(F)CC2)C[C@@H](c2ccccc2)O1 ZINC000526969996 323309521 /nfs/dbraw/zinc/30/95/21/323309521.db2.gz IRTQCQVRXWCZFB-OCCSQVGLSA-N 1 2 249.329 2.951 20 0 BFADLO C[C@@H]1C[N@@H+](CC2(F)CC2)C[C@@H](c2ccccc2)O1 ZINC000526969996 323309524 /nfs/dbraw/zinc/30/95/24/323309524.db2.gz IRTQCQVRXWCZFB-OCCSQVGLSA-N 1 2 249.329 2.951 20 0 BFADLO Cc1nc([C@](C)([NH2+][C@H]2C=CCCC2)C2CC2)no1 ZINC000571839294 323489650 /nfs/dbraw/zinc/48/96/50/323489650.db2.gz ZGYPPZYVOORYHW-GXTWGEPZSA-N 1 2 247.342 2.702 20 0 BFADLO CC(C)c1nc(NC2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000162282709 323602896 /nfs/dbraw/zinc/60/28/96/323602896.db2.gz LIXKDYLPQQDOLS-QWRGUYRKSA-N 1 2 249.358 2.968 20 0 BFADLO CCC1CCN(c2[nH+]cccc2OC)CC1 ZINC000527849455 323706022 /nfs/dbraw/zinc/70/60/22/323706022.db2.gz FWIXLRGNFZPDFJ-UHFFFAOYSA-N 1 2 220.316 2.717 20 0 BFADLO CC[C@H]([NH2+][C@H](c1ccccc1)C(C)C)C(=O)OC ZINC000106032103 323826817 /nfs/dbraw/zinc/82/68/17/323826817.db2.gz KYBUXCKKRPXFJF-KBPBESRZSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3sccc3C2)oc1C ZINC000060569371 324042798 /nfs/dbraw/zinc/04/27/98/324042798.db2.gz WOPRWFRYWPUKQU-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1nc(C[N@H+]2CCc3sccc3C2)oc1C ZINC000060569371 324042801 /nfs/dbraw/zinc/04/28/01/324042801.db2.gz WOPRWFRYWPUKQU-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO COC1C[NH+](C[C@H](C)c2cccc(Cl)c2)C1 ZINC000459575836 324148618 /nfs/dbraw/zinc/14/86/18/324148618.db2.gz FKBRWCHXRJDCSK-JTQLQIEISA-N 1 2 239.746 2.774 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000129241037 324930455 /nfs/dbraw/zinc/93/04/55/324930455.db2.gz MKOUCFYSVDYDJB-ZWNOBZJWSA-N 1 2 218.300 2.765 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000540948958 324934053 /nfs/dbraw/zinc/93/40/53/324934053.db2.gz MMBOUQBHFRBHCJ-SKDRFNHKSA-N 1 2 234.343 2.741 20 0 BFADLO CC(C)c1[nH+]ccn1CC(=O)c1ccc(O)cc1 ZINC000542788848 325048266 /nfs/dbraw/zinc/04/82/66/325048266.db2.gz FMXJBIZCANNBOT-UHFFFAOYSA-N 1 2 244.294 2.595 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccoc1 ZINC000131244419 325128709 /nfs/dbraw/zinc/12/87/09/325128709.db2.gz HVAOOPXUFRQRMR-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1 ZINC000131953653 325192694 /nfs/dbraw/zinc/19/26/94/325192694.db2.gz TVVJBPOAFYGPCF-AWEZNQCLSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1 ZINC000131953653 325192698 /nfs/dbraw/zinc/19/26/98/325192698.db2.gz TVVJBPOAFYGPCF-AWEZNQCLSA-N 1 2 237.318 2.827 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000132479562 325221083 /nfs/dbraw/zinc/22/10/83/325221083.db2.gz ZSLRDOISTXTYMR-GHMZBOCLSA-N 1 2 235.331 2.579 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1ccncc1Cl ZINC000132555594 325225648 /nfs/dbraw/zinc/22/56/48/325225648.db2.gz NXDRRRTWKVOQCF-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1ccncc1Cl ZINC000132555594 325225652 /nfs/dbraw/zinc/22/56/52/325225652.db2.gz NXDRRRTWKVOQCF-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H](C)c1nccs1 ZINC000234949345 325243744 /nfs/dbraw/zinc/24/37/44/325243744.db2.gz WCPGIKBZQGFYGH-SECBINFHSA-N 1 2 249.339 2.762 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)o1 ZINC000134966649 325384889 /nfs/dbraw/zinc/38/48/89/325384889.db2.gz FIFNKEXVSQYIPN-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccs2)o1 ZINC000134966649 325384891 /nfs/dbraw/zinc/38/48/91/325384891.db2.gz FIFNKEXVSQYIPN-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CC[C@H](NC(=O)C[C@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000547750162 325391686 /nfs/dbraw/zinc/39/16/86/325391686.db2.gz GEDGDUVSSRXKAL-RYUDHWBXSA-N 1 2 247.342 2.723 20 0 BFADLO CCOc1cc[nH+]c2cc(OC)ccc21 ZINC000146713145 325727227 /nfs/dbraw/zinc/72/72/27/325727227.db2.gz YLMINQHYDYDXNY-UHFFFAOYSA-N 1 2 203.241 2.642 20 0 BFADLO CCN(c1nc(C)[nH+]c2c1CCCC2)C(C)C ZINC000564603826 325798551 /nfs/dbraw/zinc/79/85/51/325798551.db2.gz KMALABIXNMPFTQ-UHFFFAOYSA-N 1 2 233.359 2.899 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC[C@H](C)CC2)cc[nH+]1 ZINC000566305583 326031752 /nfs/dbraw/zinc/03/17/52/326031752.db2.gz SUHQLTSIQLYSTM-UMSPYCQHSA-N 1 2 232.327 2.577 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566469307 326052545 /nfs/dbraw/zinc/05/25/45/326052545.db2.gz DAVQGTAYANOCIO-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](COc1ccccc1-n1cc[nH+]c1)OC ZINC000567031423 326103578 /nfs/dbraw/zinc/10/35/78/326103578.db2.gz NELBXZYCJQSUIN-LBPRGKRZSA-N 1 2 246.310 2.676 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000568054644 326301512 /nfs/dbraw/zinc/30/15/12/326301512.db2.gz YJEKWLALZXLHPJ-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(F)c1 ZINC000568054644 326301515 /nfs/dbraw/zinc/30/15/15/326301515.db2.gz YJEKWLALZXLHPJ-NSHDSACASA-N 1 2 229.245 2.899 20 0 BFADLO CCc1nc(C[NH+]2CCC3(CCCC3)CC2)no1 ZINC000158441552 326322336 /nfs/dbraw/zinc/32/23/36/326322336.db2.gz ZOOGABHHCNFETP-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCC[C@H]1C ZINC000568243650 326333495 /nfs/dbraw/zinc/33/34/95/326333495.db2.gz JBLOSKJSIYSBRN-LDYMZIIASA-N 1 2 205.305 2.694 20 0 BFADLO Cn1c2cccc(Cl)c2[nH]c1=[NH+]CC1(C)CC1 ZINC000568581114 326365593 /nfs/dbraw/zinc/36/55/93/326365593.db2.gz BKFYRBUPUBLJKE-UHFFFAOYSA-N 1 2 249.745 2.861 20 0 BFADLO CCC(C)(C)CC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545475 487983317 /nfs/dbraw/zinc/98/33/17/487983317.db2.gz DFXBXRUBRYCTJI-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(C)(C)CC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545475 487983324 /nfs/dbraw/zinc/98/33/24/487983324.db2.gz DFXBXRUBRYCTJI-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CC1(C)SC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000669999359 487986669 /nfs/dbraw/zinc/98/66/69/487986669.db2.gz PRDNDRUWLNZTOP-LBPRGKRZSA-N 1 2 247.367 2.547 20 0 BFADLO CC[C@H](C)[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000661104598 488012336 /nfs/dbraw/zinc/01/23/36/488012336.db2.gz ACELHNSBJXMULN-JTQLQIEISA-N 1 2 225.336 2.813 20 0 BFADLO CC[C@H](C)[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000661104598 488012345 /nfs/dbraw/zinc/01/23/45/488012345.db2.gz ACELHNSBJXMULN-JTQLQIEISA-N 1 2 225.336 2.813 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2cccc(F)c2)n1 ZINC000097075151 488020427 /nfs/dbraw/zinc/02/04/27/488020427.db2.gz GXRUZPRVZGYRGC-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000097075151 488020431 /nfs/dbraw/zinc/02/04/31/488020431.db2.gz GXRUZPRVZGYRGC-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2cscn2)c1 ZINC000682780383 488041106 /nfs/dbraw/zinc/04/11/06/488041106.db2.gz SNZBACCAXGKNNK-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000682780383 488041109 /nfs/dbraw/zinc/04/11/09/488041109.db2.gz SNZBACCAXGKNNK-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO Cc1noc([C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000674048077 488070223 /nfs/dbraw/zinc/07/02/23/488070223.db2.gz YLVMWULOOSAFQV-GWCFXTLKSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1noc([C@H](C)[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000674048077 488070226 /nfs/dbraw/zinc/07/02/26/488070226.db2.gz YLVMWULOOSAFQV-GWCFXTLKSA-N 1 2 243.310 2.886 20 0 BFADLO CCCC[C@H](CC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140763046 488072251 /nfs/dbraw/zinc/07/22/51/488072251.db2.gz VOBVRDRUWNEQAT-MNOVXSKESA-N 1 2 237.347 2.803 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2nc(C)c(C)o2)c1 ZINC000683028094 488099343 /nfs/dbraw/zinc/09/93/43/488099343.db2.gz ADVOCXXTABBFIR-UHFFFAOYSA-N 1 2 247.342 2.745 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2nc(C)c(C)o2)c1 ZINC000683028094 488099349 /nfs/dbraw/zinc/09/93/49/488099349.db2.gz ADVOCXXTABBFIR-UHFFFAOYSA-N 1 2 247.342 2.745 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378677927 488101342 /nfs/dbraw/zinc/10/13/42/488101342.db2.gz RMYXHVBAFMHZPB-XXILOJSOSA-N 1 2 225.311 2.649 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1CCC[C@H]1C(F)F ZINC000677737493 488115977 /nfs/dbraw/zinc/11/59/77/488115977.db2.gz DVGUICFSRPKUHB-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)(C)OCCC[N@H+]1CCC[C@H]1C(F)F ZINC000677737493 488115981 /nfs/dbraw/zinc/11/59/81/488115981.db2.gz DVGUICFSRPKUHB-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO CC[N@H+](Cc1ncc(C)o1)[C@H](C)c1cccnc1 ZINC000677802856 488126101 /nfs/dbraw/zinc/12/61/01/488126101.db2.gz UQPBMYDJOBMKTR-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ncc(C)o1)[C@H](C)c1cccnc1 ZINC000677802856 488126109 /nfs/dbraw/zinc/12/61/09/488126109.db2.gz UQPBMYDJOBMKTR-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)C2CCC2)cc[nH+]1 ZINC000119313583 487539117 /nfs/dbraw/zinc/53/91/17/487539117.db2.gz DYXLRDCNHLEHPM-SNVBAGLBSA-N 1 2 233.315 2.700 20 0 BFADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1nccs1 ZINC000673950296 487553212 /nfs/dbraw/zinc/55/32/12/487553212.db2.gz GVAJKYDYUMFPSM-NOZJJQNGSA-N 1 2 246.335 2.755 20 0 BFADLO C[C@@H]1OCC[C@@]1(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680066147 487530989 /nfs/dbraw/zinc/53/09/89/487530989.db2.gz NBUZKEXCUYVBDW-IINYFYTJSA-N 1 2 249.358 2.754 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)[C@@H]1C[C@@H]1C ZINC000666120020 487504184 /nfs/dbraw/zinc/50/41/84/487504184.db2.gz JBDGYHBYEJDBJF-WCQGTBRESA-N 1 2 220.316 2.937 20 0 BFADLO CC(C)(C)c1nc(NC[C@@]2(C)CCOC2)cc[nH+]1 ZINC000674065727 487507304 /nfs/dbraw/zinc/50/73/04/487507304.db2.gz DSXAFYJLJCWHEL-CQSZACIVSA-N 1 2 249.358 2.613 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H](C)C1CCCC1 ZINC000674087200 487515810 /nfs/dbraw/zinc/51/58/10/487515810.db2.gz UYNMHFLQHPVNNK-SNVBAGLBSA-N 1 2 248.326 2.855 20 0 BFADLO CCn1cc(C[NH2+]C2(C(F)F)CCCC2)cn1 ZINC000674135252 487517898 /nfs/dbraw/zinc/51/78/98/487517898.db2.gz KOZLEVJRAGHIRK-UHFFFAOYSA-N 1 2 243.301 2.571 20 0 BFADLO Cc1cn[nH]c1CNc1cccc2cc[nH+]cc21 ZINC000685619098 487566016 /nfs/dbraw/zinc/56/60/16/487566016.db2.gz CDALPEOQCPSISL-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1cc2ccccc2[nH]1 ZINC000674505160 487588250 /nfs/dbraw/zinc/58/82/50/487588250.db2.gz ASCLEKQIJXAAFV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1cc2ccccc2[nH]1 ZINC000674505160 487588257 /nfs/dbraw/zinc/58/82/57/487588257.db2.gz ASCLEKQIJXAAFV-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO Clc1csc(C[NH+]2CC3(CC3)C2)c1 ZINC000335383380 487622346 /nfs/dbraw/zinc/62/23/46/487622346.db2.gz WRXNEAUKNJWYFY-UHFFFAOYSA-N 1 2 213.733 2.997 20 0 BFADLO c1ccc(Nc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000081165937 487675559 /nfs/dbraw/zinc/67/55/59/487675559.db2.gz BFLOSWKSHBSNAK-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2)CCO1 ZINC000164789963 487895712 /nfs/dbraw/zinc/89/57/12/487895712.db2.gz UFORVHHGAKKKLD-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000682416164 487952846 /nfs/dbraw/zinc/95/28/46/487952846.db2.gz ZRURAOQTWBKBEV-VHSXEESVSA-N 1 2 237.347 2.609 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CCC[C@H]2C[C@H]21 ZINC000644865291 488092907 /nfs/dbraw/zinc/09/29/07/488092907.db2.gz LCAXTCVROAXVEC-JOYOIKCWSA-N 1 2 245.301 2.701 20 0 BFADLO Cn1cccc1CNc1[nH+]c2ccccc2n1C ZINC000677807619 488128083 /nfs/dbraw/zinc/12/80/83/488128083.db2.gz YSZANSZPJVKAOJ-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000677877770 488144445 /nfs/dbraw/zinc/14/44/45/488144445.db2.gz DEZJDFAYBUNTDR-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000677877770 488144451 /nfs/dbraw/zinc/14/44/51/488144451.db2.gz DEZJDFAYBUNTDR-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000677877771 488144873 /nfs/dbraw/zinc/14/48/73/488144873.db2.gz DEZJDFAYBUNTDR-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000677877771 488144876 /nfs/dbraw/zinc/14/48/76/488144876.db2.gz DEZJDFAYBUNTDR-NSHDSACASA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@H+](C[C@H](C)CO)c1cc(C)ccc1C ZINC000678046136 488182271 /nfs/dbraw/zinc/18/22/71/488182271.db2.gz LVMOTJZGPIVNFJ-LBPRGKRZSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@H](C)CO)c1cc(C)ccc1C ZINC000678046136 488182272 /nfs/dbraw/zinc/18/22/72/488182272.db2.gz LVMOTJZGPIVNFJ-LBPRGKRZSA-N 1 2 221.344 2.758 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000678054140 488188586 /nfs/dbraw/zinc/18/85/86/488188586.db2.gz ZHCLEMZNLTZORL-UHFFFAOYSA-N 1 2 233.208 2.662 20 0 BFADLO CCc1cc(NCCOC(C)(C)CC)nc[nH+]1 ZINC000308510228 488206537 /nfs/dbraw/zinc/20/65/37/488206537.db2.gz CUDBOYJLVIFIOC-UHFFFAOYSA-N 1 2 237.347 2.656 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2ccc(C)cc21 ZINC000669552339 488211607 /nfs/dbraw/zinc/21/16/07/488211607.db2.gz QGRZUNQTMZJETC-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO c1ncc(C[N@@H+]2CCOc3ccccc3C2)s1 ZINC000678196086 488215027 /nfs/dbraw/zinc/21/50/27/488215027.db2.gz NLLLMEJFHJXLRK-UHFFFAOYSA-N 1 2 246.335 2.538 20 0 BFADLO c1ncc(C[N@H+]2CCOc3ccccc3C2)s1 ZINC000678196086 488215029 /nfs/dbraw/zinc/21/50/29/488215029.db2.gz NLLLMEJFHJXLRK-UHFFFAOYSA-N 1 2 246.335 2.538 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2CCc3c2cccc3F)o1 ZINC000231639219 488218460 /nfs/dbraw/zinc/21/84/60/488218460.db2.gz ZKSQAZBUULKDLK-CYBMUJFWSA-N 1 2 246.285 2.899 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)c(C)c1 ZINC000678276160 488235722 /nfs/dbraw/zinc/23/57/22/488235722.db2.gz ZUYQNRQGYDSBTM-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3cn[nH]c3C2)c(C)c1 ZINC000678276160 488235723 /nfs/dbraw/zinc/23/57/23/488235723.db2.gz ZUYQNRQGYDSBTM-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]ncc1C[NH+]1C2CCCC1CCC2 ZINC000678280017 488236084 /nfs/dbraw/zinc/23/60/84/488236084.db2.gz VIDHHSJRQLCWDO-UHFFFAOYSA-N 1 2 219.332 2.625 20 0 BFADLO Cn1cnc(C[N@H+](C)Cc2cccc(Cl)c2)c1 ZINC000683899726 488237555 /nfs/dbraw/zinc/23/75/55/488237555.db2.gz YXRFDYJIMFYTBA-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cnc(C[N@@H+](C)Cc2cccc(Cl)c2)c1 ZINC000683899726 488237557 /nfs/dbraw/zinc/23/75/57/488237557.db2.gz YXRFDYJIMFYTBA-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)CCO1 ZINC000678312118 488240011 /nfs/dbraw/zinc/24/00/11/488240011.db2.gz QIZVVKAPQSMWRC-QWRGUYRKSA-N 1 2 249.358 2.754 20 0 BFADLO COC1CC(Sc2[nH+]cc3ccccn32)C1 ZINC000683901756 488242019 /nfs/dbraw/zinc/24/20/19/488242019.db2.gz LWXWBMUZYANLDD-UHFFFAOYSA-N 1 2 234.324 2.604 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2c(C)noc2C)o1 ZINC000678354423 488246017 /nfs/dbraw/zinc/24/60/17/488246017.db2.gz IFYKCKNSUGTFFB-WCBMZHEXSA-N 1 2 249.314 3.000 20 0 BFADLO c1c2ccccc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000684021945 488256356 /nfs/dbraw/zinc/25/63/56/488256356.db2.gz YZAWOJNTJNJNJA-OKILXGFUSA-N 1 2 242.322 2.531 20 0 BFADLO c1c2ccccc2[nH]c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000684021945 488256359 /nfs/dbraw/zinc/25/63/59/488256359.db2.gz YZAWOJNTJNJNJA-OKILXGFUSA-N 1 2 242.322 2.531 20 0 BFADLO CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cnn(C)c1 ZINC000672622576 488262186 /nfs/dbraw/zinc/26/21/86/488262186.db2.gz NCQRZYAMEMTMGA-GHMZBOCLSA-N 1 2 243.301 2.649 20 0 BFADLO FC(F)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000678775152 488282133 /nfs/dbraw/zinc/28/21/33/488282133.db2.gz KAOTWEPKJLHEIP-AAEUAGOBSA-N 1 2 241.281 2.619 20 0 BFADLO C[C@H]1CCCN(c2cc[nH+]cc2F)CC1 ZINC000678787170 488282598 /nfs/dbraw/zinc/28/25/98/488282598.db2.gz AYESPKMODLYQTH-JTQLQIEISA-N 1 2 208.280 2.847 20 0 BFADLO Fc1c[nH+]ccc1N1CCc2ccccc2C1 ZINC000678786326 488282618 /nfs/dbraw/zinc/28/26/18/488282618.db2.gz HLKABQDDXPUROS-UHFFFAOYSA-N 1 2 228.270 2.783 20 0 BFADLO COc1ccc(CN(C)c2cc[nH+]cc2F)cc1 ZINC000678788019 488283161 /nfs/dbraw/zinc/28/31/61/488283161.db2.gz CCRMJPXCKFCXLB-UHFFFAOYSA-N 1 2 246.285 2.866 20 0 BFADLO CCc1cc(N[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)nc[nH+]1 ZINC000678831294 488288690 /nfs/dbraw/zinc/28/86/90/488288690.db2.gz NDVXBCBCHVYZMC-OASPWFOLSA-N 1 2 249.358 2.510 20 0 BFADLO CCc1cc(N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)nc[nH+]1 ZINC000678831291 488288738 /nfs/dbraw/zinc/28/87/38/488288738.db2.gz NDVXBCBCHVYZMC-BIMULSAOSA-N 1 2 249.358 2.510 20 0 BFADLO CCCN(CCCn1cc[nH+]c1)CC(F)(F)F ZINC000678883581 488293042 /nfs/dbraw/zinc/29/30/42/488293042.db2.gz YVRGTTRTEVAIRO-UHFFFAOYSA-N 1 2 249.280 2.548 20 0 BFADLO CCn1c(C)cc(C(=O)C[N@H+]2CC=CCC2)c1C ZINC000679321497 488336193 /nfs/dbraw/zinc/33/61/93/488336193.db2.gz FDOFZYJGLUFLAW-UHFFFAOYSA-N 1 2 246.354 2.569 20 0 BFADLO CCn1c(C)cc(C(=O)C[N@@H+]2CC=CCC2)c1C ZINC000679321497 488336195 /nfs/dbraw/zinc/33/61/95/488336195.db2.gz FDOFZYJGLUFLAW-UHFFFAOYSA-N 1 2 246.354 2.569 20 0 BFADLO c1cc(-c2nc(C[N@H+]3CC=CCC3)no2)cs1 ZINC000679323131 488336532 /nfs/dbraw/zinc/33/65/32/488336532.db2.gz JJUXVUXGCYOSLJ-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO c1cc(-c2nc(C[N@@H+]3CC=CCC3)no2)cs1 ZINC000679323131 488336533 /nfs/dbraw/zinc/33/65/33/488336533.db2.gz JJUXVUXGCYOSLJ-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)sc1C ZINC000679217964 488318141 /nfs/dbraw/zinc/31/81/41/488318141.db2.gz BTACFKXWEAPAEE-KWQFWETISA-N 1 2 242.363 2.940 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)sc1C ZINC000679217964 488318142 /nfs/dbraw/zinc/31/81/42/488318142.db2.gz BTACFKXWEAPAEE-KWQFWETISA-N 1 2 242.363 2.940 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000679224393 488320922 /nfs/dbraw/zinc/32/09/22/488320922.db2.gz SODCQOBWJQQQNR-DVVUODLYSA-N 1 2 226.295 2.724 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000679224393 488320923 /nfs/dbraw/zinc/32/09/23/488320923.db2.gz SODCQOBWJQQQNR-DVVUODLYSA-N 1 2 226.295 2.724 20 0 BFADLO c1csc(-c2noc(C[N@H+]3CC=CCC3)n2)c1 ZINC000679323163 488336909 /nfs/dbraw/zinc/33/69/09/488336909.db2.gz KVPOEQAHJUQUTL-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO c1csc(-c2noc(C[N@@H+]3CC=CCC3)n2)c1 ZINC000679323163 488336910 /nfs/dbraw/zinc/33/69/10/488336910.db2.gz KVPOEQAHJUQUTL-UHFFFAOYSA-N 1 2 247.323 2.560 20 0 BFADLO COc1ncc(C[N@H+]2CC=CCC2)cc1Cl ZINC000679324351 488338141 /nfs/dbraw/zinc/33/81/41/488338141.db2.gz QDLRHBFNQAFMHH-UHFFFAOYSA-N 1 2 238.718 2.506 20 0 BFADLO COc1ncc(C[N@@H+]2CC=CCC2)cc1Cl ZINC000679324351 488338142 /nfs/dbraw/zinc/33/81/42/488338142.db2.gz QDLRHBFNQAFMHH-UHFFFAOYSA-N 1 2 238.718 2.506 20 0 BFADLO COCc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000679359111 488344974 /nfs/dbraw/zinc/34/49/74/488344974.db2.gz KOTLOOJXVIOWGK-GWCFXTLKSA-N 1 2 241.306 2.606 20 0 BFADLO COCc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000679359111 488344976 /nfs/dbraw/zinc/34/49/76/488344976.db2.gz KOTLOOJXVIOWGK-GWCFXTLKSA-N 1 2 241.306 2.606 20 0 BFADLO c1snnc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000191681812 490405609 /nfs/dbraw/zinc/40/56/09/490405609.db2.gz LQWCQAZPNOFEBJ-UHFFFAOYSA-N 1 2 245.351 2.705 20 0 BFADLO CCc1ccccc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000074727085 490501069 /nfs/dbraw/zinc/50/10/69/490501069.db2.gz ADRULWKWKXUASV-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCc1ccccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000074727085 490501071 /nfs/dbraw/zinc/50/10/71/490501071.db2.gz ADRULWKWKXUASV-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCc1ccc(NC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC000074727088 490501221 /nfs/dbraw/zinc/50/12/21/490501221.db2.gz NABMFYFOZIQTEW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCc1ccc(NC(=O)CCc2c[nH]c[nH+]2)cc1 ZINC000074727088 490501223 /nfs/dbraw/zinc/50/12/23/490501223.db2.gz NABMFYFOZIQTEW-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCOc1ccccc1C[NH2+]Cc1ncc(C)o1 ZINC000227084169 491054853 /nfs/dbraw/zinc/05/48/53/491054853.db2.gz SHWFBPVNUDCSGH-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cc1[nH]c(CN2CCCc3ccccc32)[nH+]c1C ZINC000628118350 491121880 /nfs/dbraw/zinc/12/18/80/491121880.db2.gz QNQZRVKAOKADPX-UHFFFAOYSA-N 1 2 241.338 2.979 20 0 BFADLO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ncc[nH]1 ZINC000139101221 491130392 /nfs/dbraw/zinc/13/03/92/491130392.db2.gz JJKOGLLXBRPBNP-ONGXEEELSA-N 1 2 245.351 2.907 20 0 BFADLO c1nc(C[NH2+][C@H]2CCCc3cccnc32)cs1 ZINC000091661669 491131451 /nfs/dbraw/zinc/13/14/51/491131451.db2.gz VXVLXOXAYCSULI-LBPRGKRZSA-N 1 2 245.351 2.705 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000488353152 533729533 /nfs/dbraw/zinc/72/95/33/533729533.db2.gz PHJYPYMSQHFQFU-VXGBXAGGSA-N 1 2 227.311 2.940 20 0 BFADLO C[C@@H]1CCC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493164709 533761913 /nfs/dbraw/zinc/76/19/13/533761913.db2.gz LTGCOLMFVBHAOV-IDDPWSFUSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@H](CCC(C)(C)C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493821964 533802100 /nfs/dbraw/zinc/80/21/00/533802100.db2.gz MPGPTPXMHTXVDA-MVIFTORASA-N 1 2 249.358 2.754 20 0 BFADLO Cc1cc(N2CCCC2)nc(C2CCC2)[nH+]1 ZINC000891395229 582677424 /nfs/dbraw/zinc/67/74/24/582677424.db2.gz NYYAWQAHCANXAM-UHFFFAOYSA-N 1 2 217.316 2.653 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](C)C(F)(F)C2)O1 ZINC000494220618 534159356 /nfs/dbraw/zinc/15/93/56/534159356.db2.gz RERFLVPKHGZJTF-MXWKQRLJSA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](C)C(F)(F)C2)O1 ZINC000494220618 534159363 /nfs/dbraw/zinc/15/93/63/534159363.db2.gz RERFLVPKHGZJTF-MXWKQRLJSA-N 1 2 233.302 2.531 20 0 BFADLO C[C@@H]1CCCC[C@@]1(C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493280620 534166566 /nfs/dbraw/zinc/16/65/66/534166566.db2.gz BEBUMLAIFUXMBC-LOYNQKGGSA-N 1 2 247.342 2.508 20 0 BFADLO Cc1cc(C[N@H+](C)C/C=C/c2ccncc2)no1 ZINC000495056466 534167305 /nfs/dbraw/zinc/16/73/05/534167305.db2.gz CYEZIUUOTKHFQJ-ONEGZZNKSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1cc(C[N@@H+](C)C/C=C/c2ccncc2)no1 ZINC000495056466 534167312 /nfs/dbraw/zinc/16/73/12/534167312.db2.gz CYEZIUUOTKHFQJ-ONEGZZNKSA-N 1 2 243.310 2.523 20 0 BFADLO CC[C@H](COC)[NH2+]CC(F)(F)c1ccccc1 ZINC000227902140 536120641 /nfs/dbraw/zinc/12/06/41/536120641.db2.gz JPBPWUNCOIUIPB-GFCCVEGCSA-N 1 2 243.297 2.793 20 0 BFADLO Cc1cccc(C)c1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493008661 534673458 /nfs/dbraw/zinc/67/34/58/534673458.db2.gz UDJZNKACADJIOB-VOTSOKGWSA-N 1 2 241.294 2.678 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccc(Cl)cc1 ZINC000493621341 534805015 /nfs/dbraw/zinc/80/50/15/534805015.db2.gz XYUVOCNQTAPYBJ-WAYWQWQTSA-N 1 2 247.685 2.715 20 0 BFADLO CC(C)c1nc(N2CCC[C@@H]2C)cc[nH+]1 ZINC000172810727 534906997 /nfs/dbraw/zinc/90/69/97/534906997.db2.gz COQLEZFACMXCIT-JTQLQIEISA-N 1 2 205.305 2.589 20 0 BFADLO CC(C)c1nc(N2CCOC(C)(C)[C@H]2C)cc[nH+]1 ZINC000357200224 534910160 /nfs/dbraw/zinc/91/01/60/534910160.db2.gz NEHULDBXPQOJLU-LLVKDONJSA-N 1 2 249.358 2.604 20 0 BFADLO C/C=C(/C=C\C(=O)NC1=[NH+]C[C@H](C)S1)CC ZINC000493087393 527559125 /nfs/dbraw/zinc/55/91/25/527559125.db2.gz QDGYUTULAOHALP-WFPQGPIPSA-N 1 2 238.356 2.506 20 0 BFADLO CC(C)CC(C)(C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493612689 527675630 /nfs/dbraw/zinc/67/56/30/527675630.db2.gz JJHICEICYFRCLU-AATRIKPKSA-N 1 2 249.358 2.611 20 0 BFADLO CCC1(NC(=O)C=Cc2c[nH]c[nH+]2)CCCCC1 ZINC000493791688 527771212 /nfs/dbraw/zinc/77/12/12/527771212.db2.gz OEEJDUCDFVDMBG-SREVYHEPSA-N 1 2 247.342 2.652 20 0 BFADLO CC1=C[C@H](C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000485427523 528143446 /nfs/dbraw/zinc/14/34/46/528143446.db2.gz WMPRGEQMXXMJBI-NSHDSACASA-N 1 2 241.338 2.976 20 0 BFADLO CCCCCSc1nc(N)cc(CC)[nH+]1 ZINC000308835672 528251086 /nfs/dbraw/zinc/25/10/86/528251086.db2.gz LCWWVPUEWGVBAD-UHFFFAOYSA-N 1 2 225.361 2.904 20 0 BFADLO CCCCN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)CC ZINC000492758324 528296665 /nfs/dbraw/zinc/29/66/65/528296665.db2.gz AAAUUHWONVZHJO-ABZNLYFFSA-N 1 2 249.358 2.850 20 0 BFADLO CCC(CC)(CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493845995 528622699 /nfs/dbraw/zinc/62/26/99/528622699.db2.gz BNTNOCORAIKMFO-FPLPWBNLSA-N 1 2 249.358 2.756 20 0 BFADLO CCCC[C@H](CC)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493616360 528907546 /nfs/dbraw/zinc/90/75/46/528907546.db2.gz GRBIFKXBMAHRMS-KRZKBDHCSA-N 1 2 249.358 2.756 20 0 BFADLO CC1(C)CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493579895 528957391 /nfs/dbraw/zinc/95/73/91/528957391.db2.gz BQLFOQGOWPTSKJ-ISALQUGTSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492816069 529195323 /nfs/dbraw/zinc/19/53/23/529195323.db2.gz YZPNUESIWQWIQZ-GWJCSSMESA-N 1 2 247.342 2.604 20 0 BFADLO CC[C@@H]1CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857392 529288551 /nfs/dbraw/zinc/28/85/51/529288551.db2.gz KFHWPYANLSZGLC-FZJVHEGESA-N 1 2 247.342 2.508 20 0 BFADLO COC[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000078591897 536553446 /nfs/dbraw/zinc/55/34/46/536553446.db2.gz SXXSXOJMDCCMAU-SSDOTTSWSA-N 1 2 234.221 2.547 20 0 BFADLO CC1(C)Cc2cccc(Cn3cc[nH+]c3)c2O1 ZINC000335906288 534955367 /nfs/dbraw/zinc/95/53/67/534955367.db2.gz UETHDAGSXHLPTP-UHFFFAOYSA-N 1 2 228.295 2.645 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000336189923 534972245 /nfs/dbraw/zinc/97/22/45/534972245.db2.gz WKAGYIYWXZHIME-SNVBAGLBSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCC[C@@H](C)C2)s1 ZINC000336189923 534972250 /nfs/dbraw/zinc/97/22/50/534972250.db2.gz WKAGYIYWXZHIME-SNVBAGLBSA-N 1 2 239.388 2.893 20 0 BFADLO CCN(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336147283 535459127 /nfs/dbraw/zinc/45/91/27/535459127.db2.gz LXRFHJDGCLNDMN-UHFFFAOYSA-N 1 2 235.331 2.881 20 0 BFADLO CC[C@@H]1COCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000301681297 535835376 /nfs/dbraw/zinc/83/53/76/535835376.db2.gz VDALBSDDIZLVTE-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000218082137 535849274 /nfs/dbraw/zinc/84/92/74/535849274.db2.gz NBAPXYFXUTXKCB-MNOVXSKESA-N 1 2 249.358 2.803 20 0 BFADLO C[C@H](O)c1cccc(NCCCC2CC2)[nH+]1 ZINC000892602602 582926101 /nfs/dbraw/zinc/92/61/01/582926101.db2.gz CGQXDINOGQMDNX-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO CCCC[C@@H](CC)CC[N@H+](C)Cc1nnc[nH]1 ZINC000435283485 537904193 /nfs/dbraw/zinc/90/41/93/537904193.db2.gz YEAQUDDWIQMRMA-GFCCVEGCSA-N 1 2 238.379 2.843 20 0 BFADLO CCCC[C@@H](CC)CC[N@@H+](C)Cc1nnc[nH]1 ZINC000435283485 537904197 /nfs/dbraw/zinc/90/41/97/537904197.db2.gz YEAQUDDWIQMRMA-GFCCVEGCSA-N 1 2 238.379 2.843 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccsc2)o1 ZINC000231639034 566313669 /nfs/dbraw/zinc/31/36/69/566313669.db2.gz PFJSMAUUKBOOPB-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO COc1ccc(N[C@H](C)c2ccco2)[nH+]c1 ZINC000225833284 566330013 /nfs/dbraw/zinc/33/00/13/566330013.db2.gz ZNCBUHACTSDGHE-SECBINFHSA-N 1 2 218.256 2.856 20 0 BFADLO C[C@@H](O)c1cccc(NCC2(C)CCC2)[nH+]1 ZINC000892846196 582995523 /nfs/dbraw/zinc/99/55/23/582995523.db2.gz DZVIXXOWSIQHFX-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO CCC1CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000893968879 583263514 /nfs/dbraw/zinc/26/35/14/583263514.db2.gz MYKUXXBDYJEOTH-UHFFFAOYSA-N 1 2 221.348 2.649 20 0 BFADLO CCc1nn(C[N@@H+]2CCC[C@H]2C)c(=S)s1 ZINC000853499010 588746495 /nfs/dbraw/zinc/74/64/95/588746495.db2.gz HBBRFCPPKBYMJZ-MRVPVSSYSA-N 1 2 243.401 2.678 20 0 BFADLO CCc1nn(C[N@H+]2CCC[C@H]2C)c(=S)s1 ZINC000853499010 588746496 /nfs/dbraw/zinc/74/64/96/588746496.db2.gz HBBRFCPPKBYMJZ-MRVPVSSYSA-N 1 2 243.401 2.678 20 0 BFADLO Cc1ncoc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000853640448 588751511 /nfs/dbraw/zinc/75/15/11/588751511.db2.gz HEOVMDFSBRBPRR-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@@H](C)C(C)C ZINC000853674791 588754914 /nfs/dbraw/zinc/75/49/14/588754914.db2.gz IONJVBQAPFWJFU-WDEREUQCSA-N 1 2 230.352 2.590 20 0 BFADLO CC(C)=CCCO[NH+]=C(N)COC(C)(C)C ZINC000853687966 588756701 /nfs/dbraw/zinc/75/67/01/588756701.db2.gz AGRYLQDRULYVRM-UHFFFAOYSA-N 1 2 228.336 2.656 20 0 BFADLO CC(C)[C@H](C)O[NH+]=C(N)COc1ccccc1 ZINC000853645512 588751744 /nfs/dbraw/zinc/75/17/44/588751744.db2.gz FVPVOZYEYXEFRX-NSHDSACASA-N 1 2 236.315 2.608 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2nccn2C)cc[nH+]1 ZINC000853966465 588770536 /nfs/dbraw/zinc/77/05/36/588770536.db2.gz DLWZVPQUHLFPIZ-JTQLQIEISA-N 1 2 245.330 2.507 20 0 BFADLO CC(C)c1nccc(N[C@@H](C)c2[nH+]ccn2C)n1 ZINC000853966465 588770537 /nfs/dbraw/zinc/77/05/37/588770537.db2.gz DLWZVPQUHLFPIZ-JTQLQIEISA-N 1 2 245.330 2.507 20 0 BFADLO CC[NH2+]Cc1noc(C2[C@H]3CCCCCC[C@H]23)n1 ZINC000854131890 588775774 /nfs/dbraw/zinc/77/57/74/588775774.db2.gz BBHXRCRDFYXFCS-QWRGUYRKSA-N 1 2 249.358 2.863 20 0 BFADLO CCCC[C@](C)(F)c1nc(C[NH2+]CC)no1 ZINC000854132125 588775899 /nfs/dbraw/zinc/77/58/99/588775899.db2.gz MKLWBOUBTYRDIU-NSHDSACASA-N 1 2 229.299 2.554 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594940 588796399 /nfs/dbraw/zinc/79/63/99/588796399.db2.gz SDMMAMIFBNXUFN-HSTULFTRSA-N 1 2 235.331 2.579 20 0 BFADLO CC(=CC(C)(C)C)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594940 588796400 /nfs/dbraw/zinc/79/64/00/588796400.db2.gz SDMMAMIFBNXUFN-HSTULFTRSA-N 1 2 235.331 2.579 20 0 BFADLO CCC[N@H+](Cc1cnsn1)Cc1ccccc1 ZINC000846760866 582665595 /nfs/dbraw/zinc/66/55/95/582665595.db2.gz IEBMGJWEFGHQAH-UHFFFAOYSA-N 1 2 247.367 2.950 20 0 BFADLO CCC[N@@H+](Cc1cnsn1)Cc1ccccc1 ZINC000846760866 582665598 /nfs/dbraw/zinc/66/55/98/582665598.db2.gz IEBMGJWEFGHQAH-UHFFFAOYSA-N 1 2 247.367 2.950 20 0 BFADLO C[C@@H](O)c1cccc(NC2CCCCC2)[nH+]1 ZINC000891395148 582676982 /nfs/dbraw/zinc/67/69/82/582676982.db2.gz MGGLPOUNFPIZTJ-SNVBAGLBSA-N 1 2 220.316 2.880 20 0 BFADLO COCCCNc1cc2c(cccc2OC)c[nH+]1 ZINC000891410213 582679946 /nfs/dbraw/zinc/67/99/46/582679946.db2.gz MCIIMBROMSTGBX-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO Cc1nn(C)c(C[N@@H+](C(C)C)C2CC2)c1Cl ZINC000891662607 582707701 /nfs/dbraw/zinc/70/77/01/582707701.db2.gz OTGQMRXBWYFVDX-UHFFFAOYSA-N 1 2 241.766 2.755 20 0 BFADLO Cc1nn(C)c(C[N@H+](C(C)C)C2CC2)c1Cl ZINC000891662607 582707703 /nfs/dbraw/zinc/70/77/03/582707703.db2.gz OTGQMRXBWYFVDX-UHFFFAOYSA-N 1 2 241.766 2.755 20 0 BFADLO c1cc(-c2ccc(NCC3CC3)[nH+]c2)ccn1 ZINC000891676644 582709532 /nfs/dbraw/zinc/70/95/32/582709532.db2.gz ARLORVZKHKHNKJ-UHFFFAOYSA-N 1 2 225.295 2.966 20 0 BFADLO C[C@H](Cc1ccco1)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891762736 582717713 /nfs/dbraw/zinc/71/77/13/582717713.db2.gz SSBVEDXSSRGYDJ-MNOVXSKESA-N 1 2 246.310 2.771 20 0 BFADLO CCOCCNc1cc2c(cccc2OC)c[nH+]1 ZINC000891886165 582734892 /nfs/dbraw/zinc/73/48/92/582734892.db2.gz ZWTXRWPSNFMXIY-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@H]2CC=CCC2)[nH+]1 ZINC000892035705 582768420 /nfs/dbraw/zinc/76/84/20/582768420.db2.gz LRBLTNLOEPRIJS-VXGBXAGGSA-N 1 2 232.327 2.903 20 0 BFADLO Cc1cccn2c(NC(=O)/C=C\C3CC3)c[nH+]c12 ZINC000855901906 588853125 /nfs/dbraw/zinc/85/31/25/588853125.db2.gz ARWCEQLTXCOIIM-SREVYHEPSA-N 1 2 241.294 2.547 20 0 BFADLO C/C=C(\CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855903029 588853254 /nfs/dbraw/zinc/85/32/54/588853254.db2.gz QDJZYFIAAKEJQF-NYYWCZLTSA-N 1 2 243.310 2.938 20 0 BFADLO Cc1cccn2c(NC(=O)[C@H](F)C(C)C)c[nH+]c12 ZINC000855902226 588853259 /nfs/dbraw/zinc/85/32/59/588853259.db2.gz FNWUXFHGLSEUHL-LLVKDONJSA-N 1 2 249.289 2.575 20 0 BFADLO CC/C=C(/C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902771 588853322 /nfs/dbraw/zinc/85/33/22/588853322.db2.gz LWONHIUMXJWUML-WDZFZDKYSA-N 1 2 243.310 2.938 20 0 BFADLO CCCCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000889524993 582815606 /nfs/dbraw/zinc/81/56/06/582815606.db2.gz IBFFIAXHIKXESR-GFCCVEGCSA-N 1 2 249.358 2.673 20 0 BFADLO c1cc(C[NH2+]Cc2ccc3ccccc3n2)no1 ZINC000093305913 582875799 /nfs/dbraw/zinc/87/57/99/582875799.db2.gz HJMSZAWSAODLOH-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+]1Cc1nnc(C2CC2)s1 ZINC000892404099 582877375 /nfs/dbraw/zinc/87/73/75/582877375.db2.gz XTCIXQQLQLTFSC-JTQLQIEISA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)[C@@H]1CC[N@H+]1Cc1nnc(C2CC2)s1 ZINC000892404099 582877379 /nfs/dbraw/zinc/87/73/79/582877379.db2.gz XTCIXQQLQLTFSC-JTQLQIEISA-N 1 2 237.372 2.646 20 0 BFADLO C[C@H]1CN(Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000146702605 582908528 /nfs/dbraw/zinc/90/85/28/582908528.db2.gz RCJNMUGCLJXMMS-JTQLQIEISA-N 1 2 213.284 2.533 20 0 BFADLO C[C@H]1CN(Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000146702605 582908530 /nfs/dbraw/zinc/90/85/30/582908530.db2.gz RCJNMUGCLJXMMS-JTQLQIEISA-N 1 2 213.284 2.533 20 0 BFADLO CC/C=C(/C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856288322 588867581 /nfs/dbraw/zinc/86/75/81/588867581.db2.gz QWJUSDCRUKHBTR-YHYXMXQVSA-N 1 2 243.310 2.938 20 0 BFADLO CC(C)([NH2+]Cc1ccsc1)C(F)F ZINC000393721951 582919909 /nfs/dbraw/zinc/91/99/09/582919909.db2.gz ZMWKEKCGDVMOAH-UHFFFAOYSA-N 1 2 205.273 2.881 20 0 BFADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000783287992 582955161 /nfs/dbraw/zinc/95/51/61/582955161.db2.gz SQXYNKGTSSXBQJ-PWSUYJOCSA-N 1 2 232.327 2.726 20 0 BFADLO CCc1cc(N[C@@H]2CCSC2)nc(CC)[nH+]1 ZINC000892702655 582960589 /nfs/dbraw/zinc/96/05/89/582960589.db2.gz FZCKEHNWMJKTQT-SNVBAGLBSA-N 1 2 237.372 2.519 20 0 BFADLO Cc1cn2ccc(NC(=O)[C@@H](F)C(C)C)cc2[nH+]1 ZINC000856287143 588867271 /nfs/dbraw/zinc/86/72/71/588867271.db2.gz NSLUKFTVYYBLJW-LBPRGKRZSA-N 1 2 249.289 2.575 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccnc(C)c1 ZINC000856721894 588875040 /nfs/dbraw/zinc/87/50/40/588875040.db2.gz FGIPUQQQKFDROZ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ccnc(C)c1 ZINC000856721894 588875041 /nfs/dbraw/zinc/87/50/41/588875041.db2.gz FGIPUQQQKFDROZ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[C@@H]1CCN(c2nccn3c[nH+]cc23)CC1(C)C ZINC000893181143 583065295 /nfs/dbraw/zinc/06/52/95/583065295.db2.gz HRBRNNHMYIAAJY-LLVKDONJSA-N 1 2 244.342 2.602 20 0 BFADLO CCc1onc(C)c1CNc1c[nH+]cc(C)c1 ZINC000893198327 583068960 /nfs/dbraw/zinc/06/89/60/583068960.db2.gz TUTSJICQRKBFIR-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO Cc1[nH+]cccc1NCc1cnn(C)c1C1CC1 ZINC000893199227 583068968 /nfs/dbraw/zinc/06/89/68/583068968.db2.gz SVHWBVMYSQHXRK-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO CCOc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000893196779 583068981 /nfs/dbraw/zinc/06/89/81/583068981.db2.gz DAVKXGXYPOJIDO-UHFFFAOYSA-N 1 2 232.283 2.994 20 0 BFADLO CCc1cc(NC[C@@H]2CCC=CO2)nc(CC)[nH+]1 ZINC000893367227 583127267 /nfs/dbraw/zinc/12/72/67/583127267.db2.gz FUKZCOKFYFDRAS-LBPRGKRZSA-N 1 2 247.342 2.706 20 0 BFADLO C[C@H](O)c1cccc(N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000893368891 583128335 /nfs/dbraw/zinc/12/83/35/583128335.db2.gz NTKJXXAASQAQRT-VWYCJHECSA-N 1 2 220.316 2.735 20 0 BFADLO C[C@H](O)c1cccc(NCC2CC(C)(C)C2)[nH+]1 ZINC000893373942 583130640 /nfs/dbraw/zinc/13/06/40/583130640.db2.gz LDPLZVRGXMXFGE-JTQLQIEISA-N 1 2 234.343 2.983 20 0 BFADLO C[C@H](CC(=O)OC[C@H]1CC12CCC2)n1cc[nH+]c1 ZINC000893467467 583148572 /nfs/dbraw/zinc/14/85/72/583148572.db2.gz TWLIHKDGTBXXMG-VXGBXAGGSA-N 1 2 248.326 2.568 20 0 BFADLO CCC(C)(C)CNc1cccc([C@H](C)O)[nH+]1 ZINC000893483914 583152169 /nfs/dbraw/zinc/15/21/69/583152169.db2.gz IWGWREIZZDLRME-JTQLQIEISA-N 1 2 222.332 2.983 20 0 BFADLO C[C@H](O)c1cccc(NC[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000893676248 583194911 /nfs/dbraw/zinc/19/49/11/583194911.db2.gz RCJOEIXBQPYTQK-SDDRHHMPSA-N 1 2 234.343 2.983 20 0 BFADLO C[C@@H](Nc1cc(N(C)C)nc[nH+]1)c1ccsc1 ZINC000893710838 583209756 /nfs/dbraw/zinc/20/97/56/583209756.db2.gz KRNRLNLTOIRCBU-SECBINFHSA-N 1 2 248.355 2.777 20 0 BFADLO C[C@@H](Nc1cc(N(C)C)[nH+]cn1)c1ccsc1 ZINC000893710838 583209757 /nfs/dbraw/zinc/20/97/57/583209757.db2.gz KRNRLNLTOIRCBU-SECBINFHSA-N 1 2 248.355 2.777 20 0 BFADLO Cc1ncoc1C[N@@H+](C)Cc1ccccc1F ZINC000893892261 583244793 /nfs/dbraw/zinc/24/47/93/583244793.db2.gz SSAMULRVMXGPDI-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ncoc1C[N@H+](C)Cc1ccccc1F ZINC000893892261 583244795 /nfs/dbraw/zinc/24/47/95/583244795.db2.gz SSAMULRVMXGPDI-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CC[C@@H](CNc1cc(C)[nH+]c(C2CCC2)n1)OC ZINC000893919930 583247875 /nfs/dbraw/zinc/24/78/75/583247875.db2.gz YDOFXINEVILDNL-LBPRGKRZSA-N 1 2 249.358 2.889 20 0 BFADLO CCc1cc(NCc2ocnc2C)nc(CC)[nH+]1 ZINC000893943543 583256625 /nfs/dbraw/zinc/25/66/25/583256625.db2.gz SFOWHXCOVSKOOS-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO C[C@H]1COCC[N@@H+]1C/C=C/c1cccc(F)c1 ZINC000893962981 583257225 /nfs/dbraw/zinc/25/72/25/583257225.db2.gz VNJZJJVRNMMJBX-PYEVWLCESA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1COCC[N@H+]1C/C=C/c1cccc(F)c1 ZINC000893962981 583257227 /nfs/dbraw/zinc/25/72/27/583257227.db2.gz VNJZJJVRNMMJBX-PYEVWLCESA-N 1 2 235.302 2.560 20 0 BFADLO F[C@@H]1CCN(c2ccc(-c3ccncc3)c[nH+]2)C1 ZINC000894022794 583274364 /nfs/dbraw/zinc/27/43/64/583274364.db2.gz DWXNOBSNWDMBIB-CYBMUJFWSA-N 1 2 243.285 2.692 20 0 BFADLO Cc1cc(N2CC[C@H](F)C2)nc(C2CCC2)[nH+]1 ZINC000894023285 583281124 /nfs/dbraw/zinc/28/11/24/583281124.db2.gz MBWMREUYYDOMKH-NSHDSACASA-N 1 2 235.306 2.601 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000894027348 583281129 /nfs/dbraw/zinc/28/11/29/583281129.db2.gz QCBUIRNQMHPZFX-UWVGGRQHSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000894027348 583281130 /nfs/dbraw/zinc/28/11/30/583281130.db2.gz QCBUIRNQMHPZFX-UWVGGRQHSA-N 1 2 241.356 2.611 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894058647 583291438 /nfs/dbraw/zinc/29/14/38/583291438.db2.gz OSSSVQWJYNHIMN-MXWKQRLJSA-N 1 2 220.316 2.593 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)Nc1nccs1 ZINC000894090097 583298336 /nfs/dbraw/zinc/29/83/36/583298336.db2.gz JLMANCSFCFMGNH-QMMMGPOBSA-N 1 2 222.317 2.533 20 0 BFADLO Cc1ncoc1CNc1ccc([NH+](C)C)cc1 ZINC000894115709 583310015 /nfs/dbraw/zinc/31/00/15/583310015.db2.gz AFRRYFDFYYZYAB-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1ccc(F)cc1F ZINC000894211147 583376630 /nfs/dbraw/zinc/37/66/30/583376630.db2.gz MLFRMYKFSIEWRJ-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2ocnc2C)n1 ZINC000894217764 583381561 /nfs/dbraw/zinc/38/15/61/583381561.db2.gz DJUNLJHJMCCDSO-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO CSc1cc(C)ccc1C[NH2+]Cc1c[nH]cn1 ZINC000894331361 583425184 /nfs/dbraw/zinc/42/51/84/583425184.db2.gz GIZAUSBYWHGTIH-UHFFFAOYSA-N 1 2 247.367 2.730 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@@H+]([C@H]2C=CCCC2)CCO1 ZINC000879504862 583435099 /nfs/dbraw/zinc/43/50/99/583435099.db2.gz PPDJVUKSRZYKIX-QWRGUYRKSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@H+]([C@H]2C=CCCC2)CCO1 ZINC000879504862 583435100 /nfs/dbraw/zinc/43/51/00/583435100.db2.gz PPDJVUKSRZYKIX-QWRGUYRKSA-N 1 2 249.276 2.748 20 0 BFADLO Cc1nnc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000894545122 583481537 /nfs/dbraw/zinc/48/15/37/583481537.db2.gz SMXNKTICTPIMGZ-GFCCVEGCSA-N 1 2 249.383 2.611 20 0 BFADLO Cc1nnc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000894545122 583481538 /nfs/dbraw/zinc/48/15/38/583481538.db2.gz SMXNKTICTPIMGZ-GFCCVEGCSA-N 1 2 249.383 2.611 20 0 BFADLO CC[C@@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000894573200 583487116 /nfs/dbraw/zinc/48/71/16/583487116.db2.gz VJPVAHMDSOMETK-MWLCHTKSSA-N 1 2 220.316 2.735 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000894659692 583504238 /nfs/dbraw/zinc/50/42/38/583504238.db2.gz ZUZRKBBSXNILAF-ZDUSSCGKSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000894700798 583510231 /nfs/dbraw/zinc/51/02/31/583510231.db2.gz UUQBARKFZDIWRE-QNWHQSFQSA-N 1 2 246.354 2.983 20 0 BFADLO Cc1ncoc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000894780147 583520810 /nfs/dbraw/zinc/52/08/10/583520810.db2.gz YAIQSSJMCCSHFS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncoc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000894780147 583520811 /nfs/dbraw/zinc/52/08/11/583520811.db2.gz YAIQSSJMCCSHFS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO c1[nH]c(CNc2ccc([C@@H]3CCOC3)cc2)c[nH+]1 ZINC000894862878 583537324 /nfs/dbraw/zinc/53/73/24/583537324.db2.gz KPGAWKCYRLOWPW-GFCCVEGCSA-N 1 2 243.310 2.526 20 0 BFADLO c1[nH]cc(CNc2ccc([C@@H]3CCOC3)cc2)[nH+]1 ZINC000894862878 583537326 /nfs/dbraw/zinc/53/73/26/583537326.db2.gz KPGAWKCYRLOWPW-GFCCVEGCSA-N 1 2 243.310 2.526 20 0 BFADLO CC(C)c1c[nH]c(CN2CCC[C@@](C)(F)C2)[nH+]1 ZINC000894869184 583538984 /nfs/dbraw/zinc/53/89/84/583538984.db2.gz PCDIWEURTCTYTB-CYBMUJFWSA-N 1 2 239.338 2.857 20 0 BFADLO Cc1c(C[NH+]2CC(C(F)(F)F)C2)ccnc1F ZINC000894890801 583547955 /nfs/dbraw/zinc/54/79/55/583547955.db2.gz NLJGCSPOJIGWNF-UHFFFAOYSA-N 1 2 248.223 2.523 20 0 BFADLO Cc1[nH+]cnc(N(C)CC(C)(C)C)c1C ZINC000881908296 583587926 /nfs/dbraw/zinc/58/79/26/583587926.db2.gz XTJACILHRTXCFJ-UHFFFAOYSA-N 1 2 207.321 2.576 20 0 BFADLO CSc1ccc[nH+]c1NCc1[nH]nc(C)c1C ZINC000895139339 583602583 /nfs/dbraw/zinc/60/25/83/583602583.db2.gz CJKLOIYZVBYIAR-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO CCSC1(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882627261 583627633 /nfs/dbraw/zinc/62/76/33/583627633.db2.gz KHGVVYKKILNRHJ-UHFFFAOYSA-N 1 2 237.372 2.791 20 0 BFADLO COc1cc(C)c(C)cc1NCc1c[nH+]c[nH]1 ZINC000895234734 583629533 /nfs/dbraw/zinc/62/95/33/583629533.db2.gz DTNSJZCPVGUYAA-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1cc(C)c(C)cc1NCc1c[nH]c[nH+]1 ZINC000895234734 583629535 /nfs/dbraw/zinc/62/95/35/583629535.db2.gz DTNSJZCPVGUYAA-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO Cc1cc(N2CCC[C@@H](CF)C2)nc(C2CC2)[nH+]1 ZINC000882801066 583639662 /nfs/dbraw/zinc/63/96/62/583639662.db2.gz BYGAMUKYTMGHLS-NSHDSACASA-N 1 2 249.333 2.848 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)c2cscn2)o1 ZINC000895337419 583653938 /nfs/dbraw/zinc/65/39/38/583653938.db2.gz GVQTWWXXTGESJQ-MRVPVSSYSA-N 1 2 238.312 2.596 20 0 BFADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccccn1 ZINC000727463590 583655694 /nfs/dbraw/zinc/65/56/94/583655694.db2.gz KCFUHMYIROEDHR-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO CC(C)C1(C[N@H+]2CC[C@@H]2C(F)F)CC1 ZINC000895430059 583669521 /nfs/dbraw/zinc/66/95/21/583669521.db2.gz BSFJWQJJPNATQQ-SECBINFHSA-N 1 2 203.276 2.762 20 0 BFADLO C[C@H](O)c1cccc(NCC[C@@H]2C[C@H]2C2CC2)[nH+]1 ZINC000895425056 583667572 /nfs/dbraw/zinc/66/75/72/583667572.db2.gz GGHBEXKFYITMRX-UHTWSYAYSA-N 1 2 246.354 2.983 20 0 BFADLO CC(C)C1(C[N@@H+]2CC[C@@H]2C(F)F)CC1 ZINC000895430059 583669520 /nfs/dbraw/zinc/66/95/20/583669520.db2.gz BSFJWQJJPNATQQ-SECBINFHSA-N 1 2 203.276 2.762 20 0 BFADLO CO[C@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCCCC1 ZINC000895430235 583669735 /nfs/dbraw/zinc/66/97/35/583669735.db2.gz CKLNZMMASVLTBK-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@H+]1CC[C@H]1C(F)F)C1CCCCC1 ZINC000895430235 583669737 /nfs/dbraw/zinc/66/97/37/583669737.db2.gz CKLNZMMASVLTBK-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC000895433255 583671797 /nfs/dbraw/zinc/67/17/97/583671797.db2.gz UUQGUBNEBMNEHN-JTQLQIEISA-N 1 2 203.276 2.906 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC000895433255 583671799 /nfs/dbraw/zinc/67/17/99/583671799.db2.gz UUQGUBNEBMNEHN-JTQLQIEISA-N 1 2 203.276 2.906 20 0 BFADLO CN(Cc1[nH+]ccn1C1CC1)c1cccc(O)c1 ZINC000895475401 583679665 /nfs/dbraw/zinc/67/96/65/583679665.db2.gz HOCFROWNCFZVHJ-UHFFFAOYSA-N 1 2 243.310 2.560 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]c1 ZINC000895537747 583687346 /nfs/dbraw/zinc/68/73/46/583687346.db2.gz UMUTUTNNDXSCSX-XUEURGHRSA-N 1 2 232.327 2.591 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000895596958 583695570 /nfs/dbraw/zinc/69/55/70/583695570.db2.gz IZURLUWGMNJCLJ-UHFFFAOYSA-N 1 2 232.249 2.664 20 0 BFADLO Cc1cc(N[C@@H]2CSC[C@@H]2C)c[nH+]c1C ZINC000895645078 583700484 /nfs/dbraw/zinc/70/04/84/583700484.db2.gz LYEFFIUZEHXFAF-JOYOIKCWSA-N 1 2 222.357 2.862 20 0 BFADLO COC(C)(C)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000895782354 583729550 /nfs/dbraw/zinc/72/95/50/583729550.db2.gz CJMNWUHAYYKNHU-JTQLQIEISA-N 1 2 237.347 2.825 20 0 BFADLO CSCc1cnc(C[N@H+](C)CCCF)s1 ZINC000895896233 583743304 /nfs/dbraw/zinc/74/33/04/583743304.db2.gz SBUFKHSQRQIMGH-UHFFFAOYSA-N 1 2 248.392 2.798 20 0 BFADLO CSCc1cnc(C[N@@H+](C)CCCF)s1 ZINC000895896233 583743306 /nfs/dbraw/zinc/74/33/06/583743306.db2.gz SBUFKHSQRQIMGH-UHFFFAOYSA-N 1 2 248.392 2.798 20 0 BFADLO CC(C)CCCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857976836 588926625 /nfs/dbraw/zinc/92/66/25/588926625.db2.gz NAPZIXHMDKTNQB-LBPRGKRZSA-N 1 2 249.358 2.661 20 0 BFADLO c1cc2c(s1)CCCCN2Cc1c[nH+]c[nH]1 ZINC000895984404 583759265 /nfs/dbraw/zinc/75/92/65/583759265.db2.gz HXGFLCDWGKUSGO-UHFFFAOYSA-N 1 2 233.340 2.814 20 0 BFADLO c1cc2c(s1)CCCCN2Cc1c[nH]c[nH+]1 ZINC000895984404 583759268 /nfs/dbraw/zinc/75/92/68/583759268.db2.gz HXGFLCDWGKUSGO-UHFFFAOYSA-N 1 2 233.340 2.814 20 0 BFADLO CCC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857980895 588927630 /nfs/dbraw/zinc/92/76/30/588927630.db2.gz SDQMGWBVROZMIE-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO C[C@@H](O)c1ccc(NCCC2CC=CC2)[nH+]c1 ZINC000896093740 583771756 /nfs/dbraw/zinc/77/17/56/583771756.db2.gz FWZCXMSEGNSTCW-LLVKDONJSA-N 1 2 232.327 2.903 20 0 BFADLO Cc1nc(NC[C@@H]2CCCC3(CCC3)O2)cc[nH+]1 ZINC000896169713 583777214 /nfs/dbraw/zinc/77/72/14/583777214.db2.gz GOCQXVWAASCKAI-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO c1ccc(NC[C@H]2CCCC3(CCC3)O2)[nH+]c1 ZINC000896171126 583778042 /nfs/dbraw/zinc/77/80/42/583778042.db2.gz RUDNTYMMUGMDFB-GFCCVEGCSA-N 1 2 232.327 2.985 20 0 BFADLO CC[C@@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857985335 588928740 /nfs/dbraw/zinc/92/87/40/588928740.db2.gz HECTZBTULOXBQR-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CCC/C(C)=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000727862769 583787579 /nfs/dbraw/zinc/78/75/79/583787579.db2.gz ZEUUARKKOVVNEK-ACCUITESSA-N 1 2 249.358 2.526 20 0 BFADLO CC/C(C)=C/C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000858000815 588930492 /nfs/dbraw/zinc/93/04/92/588930492.db2.gz MFPIIJSLEWXNCM-CSKARUKUSA-N 1 2 245.326 2.505 20 0 BFADLO C[C@H](O)c1cccc(NC[C@]23C[C@H]2CCC3)[nH+]1 ZINC000896546373 583809797 /nfs/dbraw/zinc/80/97/97/583809797.db2.gz YNAQXUADHYZEQS-WDMOLILDSA-N 1 2 232.327 2.737 20 0 BFADLO Cc1cc(N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nc[nH+]1 ZINC000896900781 583850506 /nfs/dbraw/zinc/85/05/06/583850506.db2.gz LAQAJMKIYRIFKH-COMQUAJESA-N 1 2 243.354 2.657 20 0 BFADLO OCc1cc[nH+]c(N[C@H]2CCCC3(CC3)C2)c1 ZINC000897040575 583873477 /nfs/dbraw/zinc/87/34/77/583873477.db2.gz FVMXVUICCXELGQ-LBPRGKRZSA-N 1 2 232.327 2.709 20 0 BFADLO Cc1cc(N[C@H]2CCSC(C)(C)C2)nc[nH+]1 ZINC000897058166 583875129 /nfs/dbraw/zinc/87/51/29/583875129.db2.gz MXYUZCNBSPQRFQ-JTQLQIEISA-N 1 2 237.372 2.871 20 0 BFADLO C[C@H]1Cc2cc([NH2+]CCC[C@@H]3CCO3)ccc2O1 ZINC000897114820 583881826 /nfs/dbraw/zinc/88/18/26/583881826.db2.gz WJGCZQYNOQDZLW-SMDDNHRTSA-N 1 2 247.338 2.991 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3C[C@H]4CCC[C@H]43)c2cn1 ZINC000897181161 583891919 /nfs/dbraw/zinc/89/19/19/583891919.db2.gz YAUXGXDAHQTNDX-UEKVPHQBSA-N 1 2 239.322 2.652 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@@H]1CCC(F)(F)C1 ZINC000897236253 583900177 /nfs/dbraw/zinc/90/01/77/583900177.db2.gz FCBDGXUYVZMACA-VIFPVBQESA-N 1 2 244.260 2.880 20 0 BFADLO Cc1cc(NC[C@@H]2CCCC(C)(C)O2)nc[nH+]1 ZINC000897253908 583903656 /nfs/dbraw/zinc/90/36/56/583903656.db2.gz IKAJPHYBPINGQG-NSHDSACASA-N 1 2 235.331 2.545 20 0 BFADLO Cc1cc(N[C@@H](c2ccncc2)C2CC2)nc[nH+]1 ZINC000897423883 583964995 /nfs/dbraw/zinc/96/49/95/583964995.db2.gz RWEKVAZMHQUZRL-CQSZACIVSA-N 1 2 240.310 2.743 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)[C@H]1C ZINC000888131477 583968728 /nfs/dbraw/zinc/96/87/28/583968728.db2.gz ONKUWYWSETXASK-GXSJLCMTSA-N 1 2 233.315 2.571 20 0 BFADLO C[C@H](Nc1nc(Cl)cs1)c1[nH+]ccn1C ZINC000858634635 588972525 /nfs/dbraw/zinc/97/25/25/588972525.db2.gz HGSMRPKARDTFLC-LURJTMIESA-N 1 2 242.735 2.703 20 0 BFADLO CC(C)c1nc(NCc2ccns2)cc[nH+]1 ZINC000858655032 588973116 /nfs/dbraw/zinc/97/31/16/588973116.db2.gz ADIVRMLRGACRPK-UHFFFAOYSA-N 1 2 234.328 2.669 20 0 BFADLO Cc1cc(C)[nH+]c(Cn2cc(C(C)(C)C)nn2)c1 ZINC000900625445 584332958 /nfs/dbraw/zinc/33/29/58/584332958.db2.gz NJGOAGPXTJZUAE-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO C[C@@H](c1nc(C2C(C)(C)C2(C)C)no1)[NH+](C)C ZINC000858845499 588978491 /nfs/dbraw/zinc/97/84/91/588978491.db2.gz JUFDHRCURUWLNH-QMMMGPOBSA-N 1 2 237.347 2.842 20 0 BFADLO C/C=C(/C=C\C(=O)NCc1[nH]c(C)c(C)[nH+]1)CC ZINC000900996129 584374771 /nfs/dbraw/zinc/37/47/71/584374771.db2.gz CVLJMHQBNBTNQH-KRMQVSRUSA-N 1 2 247.342 2.555 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116386863 588979064 /nfs/dbraw/zinc/97/90/64/588979064.db2.gz XQDJZDDABLVGCX-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCC(C)(C)O)ccc2O1 ZINC000901447246 584447125 /nfs/dbraw/zinc/44/71/25/584447125.db2.gz MAYBQQBNVTVXSZ-SNVBAGLBSA-N 1 2 235.327 2.583 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC[C@@H]3CCCO3)ccc2O1 ZINC000901449058 584447780 /nfs/dbraw/zinc/44/77/80/584447780.db2.gz XWNZPLNUXMRRJH-RISCZKNCSA-N 1 2 247.338 2.991 20 0 BFADLO Cc1cc(C)[nH+]c(Cn2cc(Cl)cn2)c1 ZINC000901494201 584453462 /nfs/dbraw/zinc/45/34/62/584453462.db2.gz RGWPHGZBQCCTAU-UHFFFAOYSA-N 1 2 221.691 2.597 20 0 BFADLO Cc1[nH]c(/C=C\c2nc(Cl)ncc2C)[nH+]c1C ZINC000901502849 584455071 /nfs/dbraw/zinc/45/50/71/584455071.db2.gz NBVLNHAAFJLVDN-PLNGDYQASA-N 1 2 248.717 2.949 20 0 BFADLO Cc1cnc(NCc2[nH+]ccn2C2CC2)s1 ZINC000902040776 584515572 /nfs/dbraw/zinc/51/55/72/584515572.db2.gz CFEJZJJVSZHPLN-UHFFFAOYSA-N 1 2 234.328 2.595 20 0 BFADLO Clc1ccnc(NCc2[nH+]ccn2C2CC2)c1 ZINC000902113728 584527081 /nfs/dbraw/zinc/52/70/81/584527081.db2.gz JIQXGEXOGCPARK-UHFFFAOYSA-N 1 2 248.717 2.879 20 0 BFADLO CCn1c[nH+]cc1CNc1cccnc1C1CC1 ZINC000902289772 584548310 /nfs/dbraw/zinc/54/83/10/584548310.db2.gz DSUDTPBHTQEPIC-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)c(F)c2)c1 ZINC000902433428 584595887 /nfs/dbraw/zinc/59/58/87/584595887.db2.gz UPPBGCOWQVSOOF-UHFFFAOYSA-N 1 2 237.253 2.793 20 0 BFADLO CCn1c[nH+]c(CNc2ccc3c(c2)COC3)c1 ZINC000902448086 584604827 /nfs/dbraw/zinc/60/48/27/584604827.db2.gz XTJIKJLQHNMPNU-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO COC(C)(C)CCOc1ccc2c(c1)[nH+]cn2C ZINC000902781286 584670447 /nfs/dbraw/zinc/67/04/47/584670447.db2.gz MKQKKWIBGNXWOL-UHFFFAOYSA-N 1 2 248.326 2.767 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@H](F)C1 ZINC000902991758 584709807 /nfs/dbraw/zinc/70/98/07/584709807.db2.gz AMYANVWVHUCEHL-KOLCDFICSA-N 1 2 226.270 2.716 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@H](F)C1 ZINC000902991758 584709809 /nfs/dbraw/zinc/70/98/09/584709809.db2.gz AMYANVWVHUCEHL-KOLCDFICSA-N 1 2 226.270 2.716 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902991757 584710176 /nfs/dbraw/zinc/71/01/76/584710176.db2.gz AMYANVWVHUCEHL-GXSJLCMTSA-N 1 2 226.270 2.716 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@@H](F)C1 ZINC000902991757 584710177 /nfs/dbraw/zinc/71/01/77/584710177.db2.gz AMYANVWVHUCEHL-GXSJLCMTSA-N 1 2 226.270 2.716 20 0 BFADLO Cc1cccc2nc(C[N@@H+]3CCC[C@H](F)C3)cn21 ZINC000902998063 584715141 /nfs/dbraw/zinc/71/51/41/584715141.db2.gz FMZXJXRUVHFPHX-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2nc(C[N@H+]3CCC[C@H](F)C3)cn21 ZINC000902998063 584715142 /nfs/dbraw/zinc/71/51/42/584715142.db2.gz FMZXJXRUVHFPHX-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2[nH+]c(CN3CCC[C@H](F)C3)cn21 ZINC000902998063 584715143 /nfs/dbraw/zinc/71/51/43/584715143.db2.gz FMZXJXRUVHFPHX-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccns1 ZINC000903073862 584726417 /nfs/dbraw/zinc/72/64/17/584726417.db2.gz VMSVNHHEFHSDOX-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccns1 ZINC000903073862 584726418 /nfs/dbraw/zinc/72/64/18/584726418.db2.gz VMSVNHHEFHSDOX-SCZZXKLOSA-N 1 2 248.355 2.594 20 0 BFADLO CC(F)(F)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903174530 584732771 /nfs/dbraw/zinc/73/27/71/584732771.db2.gz LMOQZJRCJFDXGO-LLVKDONJSA-N 1 2 226.270 2.778 20 0 BFADLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccoc1 ZINC000903325451 584748003 /nfs/dbraw/zinc/74/80/03/584748003.db2.gz HAENTYVBVOCBHG-MFKMUULPSA-N 1 2 243.310 2.872 20 0 BFADLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccoc1 ZINC000903325449 584748159 /nfs/dbraw/zinc/74/81/59/584748159.db2.gz HAENTYVBVOCBHG-GWCFXTLKSA-N 1 2 243.310 2.872 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ncc[nH]1 ZINC000903336453 584751848 /nfs/dbraw/zinc/75/18/48/584751848.db2.gz YNPPBJJRZMAISJ-ZWNOBZJWSA-N 1 2 242.326 2.607 20 0 BFADLO C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1ncco1 ZINC000903430484 584761668 /nfs/dbraw/zinc/76/16/68/584761668.db2.gz XSDDQLBDMPLPLA-MFKMUULPSA-N 1 2 243.310 2.872 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H](C)C2CC2)n1 ZINC000904269614 584858465 /nfs/dbraw/zinc/85/84/65/584858465.db2.gz MSXZNVRIVBHYBL-QMMMGPOBSA-N 1 2 244.298 2.536 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc([C@H](C)C2CC2)n1 ZINC000904259429 584859448 /nfs/dbraw/zinc/85/94/48/584859448.db2.gz CTNGXSHIGHQVJJ-SSDOTTSWSA-N 1 2 244.298 2.536 20 0 BFADLO C(=C\c1[nH]cc[nH+]1)\c1nc2ccccc2o1 ZINC000731156813 584922987 /nfs/dbraw/zinc/92/29/87/584922987.db2.gz MSZMXTPOCUGLBC-WAYWQWQTSA-N 1 2 211.224 2.721 20 0 BFADLO Cc1cc(N2CCc3c(C)cccc3C2)nc[nH+]1 ZINC000732037040 584933178 /nfs/dbraw/zinc/93/31/78/584933178.db2.gz CXYPDMAMJNMBRS-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2CCS[C@H](C)C2)o1 ZINC000733309736 584946846 /nfs/dbraw/zinc/94/68/46/584946846.db2.gz WYDBLAMPLBGUBL-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO CC(C)c1cnc(C[N@H+]2CCS[C@H](C)C2)o1 ZINC000733309736 584946847 /nfs/dbraw/zinc/94/68/47/584946847.db2.gz WYDBLAMPLBGUBL-SNVBAGLBSA-N 1 2 240.372 2.735 20 0 BFADLO C[C@@H]1C[NH+]=C(NC(=O)C(C)(C)C(C)(C)C)S1 ZINC000819780751 585007391 /nfs/dbraw/zinc/00/73/91/585007391.db2.gz JLALBXYIZHBEFS-MRVPVSSYSA-N 1 2 242.388 2.666 20 0 BFADLO CC(C)CCCCC(=O)OCCn1cc[nH+]c1 ZINC000838429668 585057642 /nfs/dbraw/zinc/05/76/42/585057642.db2.gz FZDGPMMSSFLGST-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO OCCOc1ccc([NH2+]C2CC3(CCC3)C2)cc1 ZINC000838880334 585074583 /nfs/dbraw/zinc/07/45/83/585074583.db2.gz PWVBREOKBCFPDR-UHFFFAOYSA-N 1 2 247.338 2.802 20 0 BFADLO Cc1ccc([N@H+](C[C@H](C)CO)C(C)C)cc1 ZINC000121355694 585088203 /nfs/dbraw/zinc/08/82/03/585088203.db2.gz XVDMDXSJJWUWGS-ZDUSSCGKSA-N 1 2 221.344 2.838 20 0 BFADLO Cc1ccc([N@@H+](C[C@H](C)CO)C(C)C)cc1 ZINC000121355694 585088204 /nfs/dbraw/zinc/08/82/04/585088204.db2.gz XVDMDXSJJWUWGS-ZDUSSCGKSA-N 1 2 221.344 2.838 20 0 BFADLO CC(C(=O)Nc1ccn2cc[nH+]c2c1)=C1CCC1 ZINC000839359537 585101897 /nfs/dbraw/zinc/10/18/97/585101897.db2.gz NROAWLMVQHPLAL-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000741774621 585118131 /nfs/dbraw/zinc/11/81/31/585118131.db2.gz INJQFFRNBHXCMU-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000741774621 585118132 /nfs/dbraw/zinc/11/81/32/585118132.db2.gz INJQFFRNBHXCMU-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000741781843 585118667 /nfs/dbraw/zinc/11/86/67/585118667.db2.gz NIZBOYFVYLMESY-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO CCCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000741781843 585118668 /nfs/dbraw/zinc/11/86/68/585118668.db2.gz NIZBOYFVYLMESY-ZDUSSCGKSA-N 1 2 249.354 2.769 20 0 BFADLO O=C(C=C1CCCC1)Nc1cccc2[nH+]ccn21 ZINC000741970065 585121353 /nfs/dbraw/zinc/12/13/53/585121353.db2.gz SJHOYGIUWXILCS-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3c(C)cccc3C2)o1 ZINC000743846696 585140621 /nfs/dbraw/zinc/14/06/21/585140621.db2.gz OQZQQDZIPDNQNS-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3c(C)cccc3C2)o1 ZINC000743846696 585140622 /nfs/dbraw/zinc/14/06/22/585140622.db2.gz OQZQQDZIPDNQNS-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CC[N@H+](C[C@H]1CCOC1)c1ccc(C)cc1 ZINC000746103418 585163015 /nfs/dbraw/zinc/16/30/15/585163015.db2.gz JIGJRXLBEUKCSC-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@H]1CCOC1)c1ccc(C)cc1 ZINC000746103418 585163016 /nfs/dbraw/zinc/16/30/16/585163016.db2.gz JIGJRXLBEUKCSC-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO FCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000746498928 585168903 /nfs/dbraw/zinc/16/89/03/585168903.db2.gz DRKDOHFYWZCWMM-HNNXBMFYSA-N 1 2 244.313 2.863 20 0 BFADLO FCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000746498928 585168904 /nfs/dbraw/zinc/16/89/04/585168904.db2.gz DRKDOHFYWZCWMM-HNNXBMFYSA-N 1 2 244.313 2.863 20 0 BFADLO Cc1cc(NC(=O)C=C2CCCCC2)c(C)c[nH+]1 ZINC000747106897 585175199 /nfs/dbraw/zinc/17/51/99/585175199.db2.gz HQYLFARHRFPHSW-UHFFFAOYSA-N 1 2 244.338 2.949 20 0 BFADLO O=C(CC1CCCCCC1)NC1=[NH+]CCS1 ZINC000749875236 585207718 /nfs/dbraw/zinc/20/77/18/585207718.db2.gz UKPLBKCSKWYSJZ-UHFFFAOYSA-N 1 2 240.372 2.566 20 0 BFADLO C/C=C(/C)C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000750897291 585221210 /nfs/dbraw/zinc/22/12/10/585221210.db2.gz YYIVLAYERLOXRC-WMZJFQQLSA-N 1 2 244.294 2.652 20 0 BFADLO C/C=C(\C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000751192210 585225394 /nfs/dbraw/zinc/22/53/94/585225394.db2.gz ZPXSDPOXGYBGKK-QDEBKDIKSA-N 1 2 241.294 2.777 20 0 BFADLO CC(C)=C(C)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000751194016 585225506 /nfs/dbraw/zinc/22/55/06/585225506.db2.gz USODGRQOKNIUNW-LBPRGKRZSA-N 1 2 247.342 2.820 20 0 BFADLO CC=C(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000751310406 585226587 /nfs/dbraw/zinc/22/65/87/585226587.db2.gz BBALZUJNYOLJOM-XBXARRHUSA-N 1 2 229.283 2.776 20 0 BFADLO CC(C)c1nc(N2CC(C(C)C)C2)cc[nH+]1 ZINC000753820930 585270275 /nfs/dbraw/zinc/27/02/75/585270275.db2.gz FFPASHWPMPHMRO-UHFFFAOYSA-N 1 2 219.332 2.692 20 0 BFADLO CC(C)C1CC([NH2+]c2ccc(OCCO)cc2)C1 ZINC000754102716 585278250 /nfs/dbraw/zinc/27/82/50/585278250.db2.gz VEFMTWRZUWAOPQ-UHFFFAOYSA-N 1 2 249.354 2.904 20 0 BFADLO CC1=CC[N@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000756634240 585321773 /nfs/dbraw/zinc/32/17/73/585321773.db2.gz SHZPCNXLFQAJOR-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO CC1=CC[N@@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000756634240 585321774 /nfs/dbraw/zinc/32/17/74/585321774.db2.gz SHZPCNXLFQAJOR-UHFFFAOYSA-N 1 2 235.331 2.519 20 0 BFADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccoc2)C1 ZINC000756996631 585326145 /nfs/dbraw/zinc/32/61/45/585326145.db2.gz QRAJCLRKFAUPFS-OAHLLOKOSA-N 1 2 242.322 2.556 20 0 BFADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccoc2)C1 ZINC000756996631 585326146 /nfs/dbraw/zinc/32/61/46/585326146.db2.gz QRAJCLRKFAUPFS-OAHLLOKOSA-N 1 2 242.322 2.556 20 0 BFADLO Cc1ccc(N(C)Cc2c[nH+]cn2C)c(F)c1 ZINC000839648113 585333311 /nfs/dbraw/zinc/33/33/11/585333311.db2.gz JOSAVHXCPBMMSD-UHFFFAOYSA-N 1 2 233.290 2.504 20 0 BFADLO Cc1ccc(N(C)CCCn2cc[nH+]c2)c(F)c1 ZINC000839647934 585333503 /nfs/dbraw/zinc/33/35/03/585333503.db2.gz GAGMCBLIMCDTQS-UHFFFAOYSA-N 1 2 247.317 2.857 20 0 BFADLO CCC/C=C/C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000757686948 585344233 /nfs/dbraw/zinc/34/42/33/585344233.db2.gz GWOXEKYBCGXALO-VOTSOKGWSA-N 1 2 249.310 2.798 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000758358494 585354628 /nfs/dbraw/zinc/35/46/28/585354628.db2.gz BAZFJWDRDJQSGR-CYBMUJFWSA-N 1 2 231.299 2.557 20 0 BFADLO Cc1ccc(COC(=O)CC(C)(F)F)c(C)[nH+]1 ZINC000758699249 585358683 /nfs/dbraw/zinc/35/86/83/585358683.db2.gz AEMOUSBVIBWDOP-UHFFFAOYSA-N 1 2 243.253 2.787 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CCC2(CCC2)C1 ZINC000758739614 585359440 /nfs/dbraw/zinc/35/94/40/585359440.db2.gz QWIHNBMBCSOOMG-UHFFFAOYSA-N 1 2 225.229 2.763 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CCC2(CCC2)C1 ZINC000758739614 585359441 /nfs/dbraw/zinc/35/94/41/585359441.db2.gz QWIHNBMBCSOOMG-UHFFFAOYSA-N 1 2 225.229 2.763 20 0 BFADLO Cc1ccc(COC(=O)CC2(C)CC2)c(C)[nH+]1 ZINC000758815680 585360106 /nfs/dbraw/zinc/36/01/06/585360106.db2.gz REOGOLKVPSXUPH-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C(F)=C1CCCC1 ZINC000763050759 585442576 /nfs/dbraw/zinc/44/25/76/585442576.db2.gz UXYHGIMCQXFJGH-UHFFFAOYSA-N 1 2 248.301 2.802 20 0 BFADLO CC[C@H](C)CO[NH+]=C(N)Cc1ccccc1 ZINC000764548324 585467696 /nfs/dbraw/zinc/46/76/96/585467696.db2.gz FUCMVFMNICVVQW-NSHDSACASA-N 1 2 220.316 2.774 20 0 BFADLO COc1ccc[nH+]c1NCc1cc(C)oc1C ZINC000767393311 585519102 /nfs/dbraw/zinc/51/91/02/585519102.db2.gz UTIPCFRVOGRMQS-UHFFFAOYSA-N 1 2 232.283 2.912 20 0 BFADLO O=C(CC[N@@H+](CC(F)F)CC1CCC1)C1CC1 ZINC000767611274 585523088 /nfs/dbraw/zinc/52/30/88/585523088.db2.gz LNOZCHSTPXQXAM-UHFFFAOYSA-N 1 2 245.313 2.723 20 0 BFADLO O=C(CC[N@H+](CC(F)F)CC1CCC1)C1CC1 ZINC000767611274 585523089 /nfs/dbraw/zinc/52/30/89/585523089.db2.gz LNOZCHSTPXQXAM-UHFFFAOYSA-N 1 2 245.313 2.723 20 0 BFADLO Cc1cc(NC(=O)NC[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000767894234 585527738 /nfs/dbraw/zinc/52/77/38/585527738.db2.gz MDTRVQIXWDSMIE-JTQLQIEISA-N 1 2 249.358 2.616 20 0 BFADLO Cl/C=C\C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000767902485 585527765 /nfs/dbraw/zinc/52/77/65/585527765.db2.gz QETWGNVCXIOESU-UTCJRWHESA-N 1 2 247.729 2.715 20 0 BFADLO Oc1ccc2c(c1)C[N@@H+](C/C=C\Cl)CC2 ZINC000767900185 585527826 /nfs/dbraw/zinc/52/78/26/585527826.db2.gz PSLQXWWQRIRFQG-KTAJNNJTSA-N 1 2 223.703 2.503 20 0 BFADLO Oc1ccc2c(c1)C[N@H+](C/C=C\Cl)CC2 ZINC000767900185 585527827 /nfs/dbraw/zinc/52/78/27/585527827.db2.gz PSLQXWWQRIRFQG-KTAJNNJTSA-N 1 2 223.703 2.503 20 0 BFADLO CCCCCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000767947596 585528821 /nfs/dbraw/zinc/52/88/21/585528821.db2.gz NKWBBBGMZNEPBB-UHFFFAOYSA-N 1 2 249.358 2.822 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccoc1 ZINC000768163510 585533188 /nfs/dbraw/zinc/53/31/88/585533188.db2.gz ZGQUQWVKPNHEKK-LLVKDONJSA-N 1 2 216.284 2.658 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccoc1 ZINC000768163510 585533189 /nfs/dbraw/zinc/53/31/89/585533189.db2.gz ZGQUQWVKPNHEKK-LLVKDONJSA-N 1 2 216.284 2.658 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccoc1 ZINC000768163512 585533274 /nfs/dbraw/zinc/53/32/74/585533274.db2.gz ZGQUQWVKPNHEKK-NSHDSACASA-N 1 2 216.284 2.658 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccoc1 ZINC000768163512 585533275 /nfs/dbraw/zinc/53/32/75/585533275.db2.gz ZGQUQWVKPNHEKK-NSHDSACASA-N 1 2 216.284 2.658 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000768195551 585533803 /nfs/dbraw/zinc/53/38/03/585533803.db2.gz MLWCNKRCGWQPDN-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000768195551 585533804 /nfs/dbraw/zinc/53/38/04/585533804.db2.gz MLWCNKRCGWQPDN-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000768195550 585533829 /nfs/dbraw/zinc/53/38/29/585533829.db2.gz MLWCNKRCGWQPDN-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000768195550 585533830 /nfs/dbraw/zinc/53/38/30/585533830.db2.gz MLWCNKRCGWQPDN-LLVKDONJSA-N 1 2 241.338 2.837 20 0 BFADLO CO[C@@H]1CCN(c2[nH+]c3ccccc3cc2C)C1 ZINC000768536731 585539998 /nfs/dbraw/zinc/53/99/98/585539998.db2.gz WAWXMYAFLAODAB-CYBMUJFWSA-N 1 2 242.322 2.768 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)c1cccc(OC)c1 ZINC000768921814 585546153 /nfs/dbraw/zinc/54/61/53/585546153.db2.gz GTRSESYYEHLLAM-PLNGDYQASA-N 1 2 248.326 2.898 20 0 BFADLO CCC(C)(CC)NC(=O)c1cccc2[nH+]ccn21 ZINC000770424727 585574144 /nfs/dbraw/zinc/57/41/44/585574144.db2.gz BBFBXIYEZZAEIP-UHFFFAOYSA-N 1 2 245.326 2.643 20 0 BFADLO CCCC(=CC(=O)N(C)Cc1[nH]cc[nH+]1)CCC ZINC000770740229 585581087 /nfs/dbraw/zinc/58/10/87/585581087.db2.gz FWXVZCOBGGJNSN-UHFFFAOYSA-N 1 2 249.358 2.895 20 0 BFADLO CCC(C)(C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770925751 585584294 /nfs/dbraw/zinc/58/42/94/585584294.db2.gz OKWLTJIGCQJOMC-UHFFFAOYSA-N 1 2 246.310 2.814 20 0 BFADLO CCC1(C(=O)OCc2cccc3[nH+]ccn32)CC1 ZINC000770927133 585584535 /nfs/dbraw/zinc/58/45/35/585584535.db2.gz WTSRULAWGCIEEG-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCC1CCCC1 ZINC000771862651 585602986 /nfs/dbraw/zinc/60/29/86/585602986.db2.gz FVDVRZBMVLANJY-UHFFFAOYSA-N 1 2 238.356 2.979 20 0 BFADLO Cc1ccc(COC(=O)C2=CCCC2)c(C)[nH+]1 ZINC000772184525 585609612 /nfs/dbraw/zinc/60/96/12/585609612.db2.gz SLYKKZNOYAEEHG-UHFFFAOYSA-N 1 2 231.295 2.852 20 0 BFADLO Cc1ccc(COC(=O)c2nccs2)c(C)[nH+]1 ZINC000773490081 585638175 /nfs/dbraw/zinc/63/81/75/585638175.db2.gz RMWBRFAVIWJUBX-UHFFFAOYSA-N 1 2 248.307 2.512 20 0 BFADLO C[C@@H](COc1ccccc1)Nc1cccc[nH+]1 ZINC000774527344 585660650 /nfs/dbraw/zinc/66/06/50/585660650.db2.gz WPHAEIUGINVJMN-LBPRGKRZSA-N 1 2 228.295 2.961 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@H]1CC[C@@H](C)C1 ZINC000805522845 585665277 /nfs/dbraw/zinc/66/52/77/585665277.db2.gz GVZDGBUKUMNRFH-MNOVXSKESA-N 1 2 249.310 2.570 20 0 BFADLO CCCCC[C@@H](CC)C(=O)NCc1c[nH+]c[nH]1 ZINC000775754480 585684005 /nfs/dbraw/zinc/68/40/05/585684005.db2.gz WDNQATWMIIXNLG-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCCCC[C@@H](CC)C(=O)NCc1c[nH]c[nH+]1 ZINC000775754480 585684006 /nfs/dbraw/zinc/68/40/06/585684006.db2.gz WDNQATWMIIXNLG-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO Cc1cccc(C[N@@H+](C)CC(=O)OCC(C)C)c1 ZINC000776578684 585701057 /nfs/dbraw/zinc/70/10/57/585701057.db2.gz HSINLGWQUIUNRJ-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO Cc1cccc(C[N@H+](C)CC(=O)OCC(C)C)c1 ZINC000776578684 585701058 /nfs/dbraw/zinc/70/10/58/585701058.db2.gz HSINLGWQUIUNRJ-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO CC[C@H]([NH2+]c1ccc(OC)c(CO)c1)C1CC1 ZINC000777651576 585718018 /nfs/dbraw/zinc/71/80/18/585718018.db2.gz XKNBNCQZAOAWSD-ZDUSSCGKSA-N 1 2 235.327 2.788 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000777714146 585718870 /nfs/dbraw/zinc/71/88/70/585718870.db2.gz WLCOKVUWQCFHAA-WRWORJQWSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000777714146 585718871 /nfs/dbraw/zinc/71/88/71/585718871.db2.gz WLCOKVUWQCFHAA-WRWORJQWSA-N 1 2 243.137 2.983 20 0 BFADLO Cl/C=C(/Cl)CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000778229184 585728508 /nfs/dbraw/zinc/72/85/08/585728508.db2.gz WZLSDQGBGPEMSM-BNICOGTQSA-N 1 2 246.141 2.866 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C[C@@H]1F ZINC000778237445 585729021 /nfs/dbraw/zinc/72/90/21/585729021.db2.gz POFINYJCUZEIDE-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1F ZINC000778237445 585729022 /nfs/dbraw/zinc/72/90/22/585729022.db2.gz POFINYJCUZEIDE-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1cc(OC(C)C)ccc1[NH2+][C@H](C)CCO ZINC000779415201 585754106 /nfs/dbraw/zinc/75/41/06/585754106.db2.gz CVCCRKZBSKMGNN-GFCCVEGCSA-N 1 2 237.343 2.965 20 0 BFADLO C[C@@H](CCO)[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000779417357 585754439 /nfs/dbraw/zinc/75/44/39/585754439.db2.gz PJCZSPJVKFHXCA-ZDUSSCGKSA-N 1 2 248.370 2.860 20 0 BFADLO CC/C(C)=C(/C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000779838883 585768472 /nfs/dbraw/zinc/76/84/72/585768472.db2.gz IZTNXAIPOKIVOU-KHPPLWFESA-N 1 2 247.342 2.833 20 0 BFADLO CC/C(C)=C(\C)C(=O)Nc1c[nH+]ccc1OC ZINC000779887811 585769621 /nfs/dbraw/zinc/76/96/21/585769621.db2.gz PHULJWGHPINNGU-MDZDMXLPSA-N 1 2 234.299 2.775 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000780736986 585783904 /nfs/dbraw/zinc/78/39/04/585783904.db2.gz CMISXRFQEKIOGK-NEPJUHHUSA-N 1 2 235.327 2.922 20 0 BFADLO C[C@@H]([NH2+]c1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000780740803 585784047 /nfs/dbraw/zinc/78/40/47/585784047.db2.gz HDYNMKVEDOIIRH-DGCLKSJQSA-N 1 2 247.338 2.849 20 0 BFADLO CC/C=C(/C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782146928 585808401 /nfs/dbraw/zinc/80/84/01/585808401.db2.gz KHKYOFWWKZJYBN-WDZFZDKYSA-N 1 2 248.326 2.547 20 0 BFADLO CC(C)(C)CCO[NH+]=C(N)COC(C)(C)C ZINC000783568606 585837274 /nfs/dbraw/zinc/83/72/74/585837274.db2.gz YJACXPLQFHUYLJ-UHFFFAOYSA-N 1 2 230.352 2.736 20 0 BFADLO C[C@@H]1CC/C(=C/C(=O)OCCCn2cc[nH+]c2)C1 ZINC000784071245 585848538 /nfs/dbraw/zinc/84/85/38/585848538.db2.gz QPYRXQIALDBLEZ-YGYTWAPGSA-N 1 2 248.326 2.563 20 0 BFADLO CC/C(C)=C(/C)C(=O)OCCCn1cc[nH+]c1 ZINC000784611888 585864846 /nfs/dbraw/zinc/86/48/46/585864846.db2.gz DSEZBQASBDOSCK-QXMHVHEDSA-N 1 2 236.315 2.563 20 0 BFADLO Cc1ccc(COC(=O)/C=C\C(C)C)c(C)[nH+]1 ZINC000785062687 585870256 /nfs/dbraw/zinc/87/02/56/585870256.db2.gz BTYCRCWYMUCMIG-YVMONPNESA-N 1 2 233.311 2.954 20 0 BFADLO CC[C@@H](NC(=O)/C(C)=C\C(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421026 585873292 /nfs/dbraw/zinc/87/32/92/585873292.db2.gz KNRQARYODXRLQD-DWOQACPDSA-N 1 2 249.358 2.969 20 0 BFADLO CC[C@@H](NC(=O)C(C)=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000785421026 585873293 /nfs/dbraw/zinc/87/32/93/585873293.db2.gz KNRQARYODXRLQD-DWOQACPDSA-N 1 2 249.358 2.969 20 0 BFADLO Cc1cc([NH2+]C2CC(C)(C)C2)ccc1OCCO ZINC000788599559 585927874 /nfs/dbraw/zinc/92/78/74/585927874.db2.gz DUJGAOHTTKXITE-UHFFFAOYSA-N 1 2 249.354 2.967 20 0 BFADLO COc1ccccc1-c1cn2c([nH+]1)CCC2 ZINC000788866043 585931350 /nfs/dbraw/zinc/93/13/50/585931350.db2.gz APOZVJVCMOBGNK-UHFFFAOYSA-N 1 2 214.268 2.505 20 0 BFADLO Cc1ccc([N@@H+](C)CCC[C@H](C)O)cc1C ZINC000789311141 585939215 /nfs/dbraw/zinc/93/92/15/585939215.db2.gz YSZZXPQHHVNQNP-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc([N@H+](C)CCC[C@H](C)O)cc1C ZINC000789311141 585939216 /nfs/dbraw/zinc/93/92/16/585939216.db2.gz YSZZXPQHHVNQNP-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO CCCC[C@H](CC)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000789626329 585947216 /nfs/dbraw/zinc/94/72/16/585947216.db2.gz FHHYDWHGUZIVAM-RYUDHWBXSA-N 1 2 242.363 2.880 20 0 BFADLO NC(=[NH+]OCC1CCCCCC1)[C@H]1CCCO1 ZINC000789627191 585947347 /nfs/dbraw/zinc/94/73/47/585947347.db2.gz LYOBRBSFXZAKAY-GFCCVEGCSA-N 1 2 240.347 2.634 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000789663831 585948132 /nfs/dbraw/zinc/94/81/32/585948132.db2.gz WYXCFTXVXNCXRE-IZZDOVSWSA-N 1 2 247.342 2.751 20 0 BFADLO CC[C@H](C)CC(=O)OCc1cccc2[nH+]ccn21 ZINC000791835012 585989149 /nfs/dbraw/zinc/98/91/49/585989149.db2.gz AKZRKMMCZUKUTK-NSHDSACASA-N 1 2 246.310 2.814 20 0 BFADLO C[C@H](C(=O)OCc1cc[nH+]c(N)c1)C1CCCC1 ZINC000791992668 585992842 /nfs/dbraw/zinc/99/28/42/585992842.db2.gz WWINCIAQNREIJJ-JTQLQIEISA-N 1 2 248.326 2.533 20 0 BFADLO CCCC[C@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792295520 585999177 /nfs/dbraw/zinc/99/91/77/585999177.db2.gz UKFSHOAAHKFYBA-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO Cc1nc(C[NH+]2CCC(F)(F)CC2)cs1 ZINC000793360454 586017627 /nfs/dbraw/zinc/01/76/27/586017627.db2.gz VHNFLXIMXJQJDD-UHFFFAOYSA-N 1 2 232.299 2.683 20 0 BFADLO CC1(C)CC(CC(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000796276907 586099879 /nfs/dbraw/zinc/09/98/79/586099879.db2.gz GXPNDZVZMIQTDW-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO FC1(F)CC[NH+](Cc2ccncc2Cl)CC1 ZINC000796538967 586105453 /nfs/dbraw/zinc/10/54/53/586105453.db2.gz RWICBYHJPOUPNK-UHFFFAOYSA-N 1 2 246.688 2.966 20 0 BFADLO FC1(F)CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000796541702 586106447 /nfs/dbraw/zinc/10/64/47/586106447.db2.gz MPKRDWADKSZBCV-UHFFFAOYSA-N 1 2 246.688 2.966 20 0 BFADLO Cc1cc[nH]c1C(=O)OCc1ccc(C)[nH+]c1C ZINC000797904875 586133831 /nfs/dbraw/zinc/13/38/31/586133831.db2.gz DGVORCLCQFBTGA-UHFFFAOYSA-N 1 2 244.294 2.692 20 0 BFADLO C/C(=C/C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000798262212 586141892 /nfs/dbraw/zinc/14/18/92/586141892.db2.gz KARGDGXBEHMPRI-NTMALXAHSA-N 1 2 241.294 2.629 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccnc(F)c2)C1 ZINC000859318825 589031083 /nfs/dbraw/zinc/03/10/83/589031083.db2.gz JSVGDVMJHOTDFZ-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859318825 589031085 /nfs/dbraw/zinc/03/10/85/589031085.db2.gz JSVGDVMJHOTDFZ-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO CC(C)c1ncc(C[N@H+](C)C/C=C\Cl)cn1 ZINC000799334191 586171970 /nfs/dbraw/zinc/17/19/70/586171970.db2.gz HSUHHZNFORLXCM-PLNGDYQASA-N 1 2 239.750 2.784 20 0 BFADLO CC(C)c1ncc(C[N@@H+](C)C/C=C\Cl)cn1 ZINC000799334191 586171972 /nfs/dbraw/zinc/17/19/72/586171972.db2.gz HSUHHZNFORLXCM-PLNGDYQASA-N 1 2 239.750 2.784 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]2C(F)(F)F)cc[nH+]1 ZINC000799961580 586203786 /nfs/dbraw/zinc/20/37/86/586203786.db2.gz SFPAAYVIWGEDBV-HTQZYQBOSA-N 1 2 245.248 2.963 20 0 BFADLO CCCC[C@@H](C)C(=O)OCCCn1cc[nH+]c1 ZINC000800275839 586208550 /nfs/dbraw/zinc/20/85/50/586208550.db2.gz FHBGZKJLMHESFM-GFCCVEGCSA-N 1 2 238.331 2.643 20 0 BFADLO CC[C@H](C)CCC(=O)OCc1cc[nH+]c(N)c1 ZINC000803877978 586378447 /nfs/dbraw/zinc/37/84/47/586378447.db2.gz PRHVCCIABKUXQI-JTQLQIEISA-N 1 2 236.315 2.533 20 0 BFADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)cc1CO ZINC000806156703 586405973 /nfs/dbraw/zinc/40/59/73/586405973.db2.gz IMEGZWFGGAJABA-KGLIPLIRSA-N 1 2 247.338 2.788 20 0 BFADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OC)c(CO)c1 ZINC000806158535 586406389 /nfs/dbraw/zinc/40/63/89/586406389.db2.gz ZTYXJHWHHAZHMA-GXFFZTMASA-N 1 2 235.327 2.788 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)n(C)n1 ZINC000806181263 586407585 /nfs/dbraw/zinc/40/75/85/586407585.db2.gz WBYPREZAGYEADX-GXSJLCMTSA-N 1 2 243.301 2.567 20 0 BFADLO CC[C@@H](C)n1nc(NCc2cn(C)c[nH+]2)cc1C ZINC000808404178 586471769 /nfs/dbraw/zinc/47/17/69/586471769.db2.gz VMWMHJIKLZXGCH-SNVBAGLBSA-N 1 2 247.346 2.508 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccoc2)n1 ZINC000809718995 586514706 /nfs/dbraw/zinc/51/47/06/586514706.db2.gz UAPADUJRIPBOJZ-LBPRGKRZSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccoc2)n1 ZINC000809718995 586514708 /nfs/dbraw/zinc/51/47/08/586514708.db2.gz UAPADUJRIPBOJZ-LBPRGKRZSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1cc(C(F)(F)F)nn1C[NH+]1CCCCC1 ZINC000811727153 586566549 /nfs/dbraw/zinc/56/65/49/586566549.db2.gz UVMMRRQDGDXUDE-UHFFFAOYSA-N 1 2 247.264 2.654 20 0 BFADLO Cc1cc([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)ccc1OCCO ZINC000813867194 586608216 /nfs/dbraw/zinc/60/82/16/586608216.db2.gz NKJOZOCBEHTOOY-SCDSUCTJSA-N 1 2 249.354 2.823 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)N(C)CCO3)[C@@H]1C ZINC000813866374 586608271 /nfs/dbraw/zinc/60/82/71/586608271.db2.gz OJPFKVDSKRMIRQ-NQBHXWOUSA-N 1 2 246.354 2.972 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OCCO)cc2)[C@@H]1C ZINC000813866523 586608285 /nfs/dbraw/zinc/60/82/85/586608285.db2.gz RMBQREQGKMPANQ-GYSYKLTISA-N 1 2 235.327 2.514 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)CCO)cc2)[C@@H]1C ZINC000813867510 586608291 /nfs/dbraw/zinc/60/82/91/586608291.db2.gz KRDALFXEDKVYJM-LALPHHSUSA-N 1 2 248.370 2.572 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(OCCCO)cc2)[C@@H]1C ZINC000814169308 586615171 /nfs/dbraw/zinc/61/51/71/586615171.db2.gz DTZUMPIPJNEFNA-JMSVASOKSA-N 1 2 249.354 2.904 20 0 BFADLO O[C@H](CCOc1cc[nH+]cc1)c1ccccc1 ZINC000814266013 586621094 /nfs/dbraw/zinc/62/10/94/586621094.db2.gz UXDAOGWULWYRMC-CQSZACIVSA-N 1 2 229.279 2.584 20 0 BFADLO COc1ncc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1Cl ZINC000815162078 586671202 /nfs/dbraw/zinc/67/12/02/586671202.db2.gz BGHKNNWMRUOXQA-BDAKNGLRSA-N 1 2 240.734 2.584 20 0 BFADLO COc1ncc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1Cl ZINC000815162078 586671203 /nfs/dbraw/zinc/67/12/03/586671203.db2.gz BGHKNNWMRUOXQA-BDAKNGLRSA-N 1 2 240.734 2.584 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)[C@@H]1C ZINC000816648389 586750021 /nfs/dbraw/zinc/75/00/21/586750021.db2.gz JXFCYFYBFKPURS-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)[C@@H]1C ZINC000816648389 586750022 /nfs/dbraw/zinc/75/00/22/586750022.db2.gz JXFCYFYBFKPURS-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO ClC1(Cl)C[C@H]1CCOCc1[nH]cc[nH+]1 ZINC000818086720 586871942 /nfs/dbraw/zinc/87/19/42/586871942.db2.gz GTHGKJGXKDCBHU-SSDOTTSWSA-N 1 2 235.114 2.510 20 0 BFADLO CCCCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819767813 586991498 /nfs/dbraw/zinc/99/14/98/586991498.db2.gz HDMCRWAIDYSULI-VIFPVBQESA-N 1 2 228.361 2.564 20 0 BFADLO CCC[C@@](C)(CC)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778426 586993323 /nfs/dbraw/zinc/99/33/23/586993323.db2.gz PKMRGBCCCKSALP-JOYOIKCWSA-N 1 2 242.388 2.810 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000819986871 587010860 /nfs/dbraw/zinc/01/08/60/587010860.db2.gz JEKFWKOWHTYGCN-NSHDSACASA-N 1 2 234.343 2.831 20 0 BFADLO Cc1csc(C[NH+]2CC(CC(F)F)C2)n1 ZINC000822520487 587172884 /nfs/dbraw/zinc/17/28/84/587172884.db2.gz DGURSJIANIYTMF-UHFFFAOYSA-N 1 2 232.299 2.539 20 0 BFADLO CC/C(C)=C/C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836449 587242213 /nfs/dbraw/zinc/24/22/13/587242213.db2.gz LSSZLDBKLKJHNG-CMDGGOBGSA-N 1 2 218.300 2.993 20 0 BFADLO C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC000824082919 587254415 /nfs/dbraw/zinc/25/44/15/587254415.db2.gz QCMYAXXMKKDPAI-SECBINFHSA-N 1 2 245.326 2.727 20 0 BFADLO CC1=C(C)C[N@H+](Cc2cc(F)ncc2F)CC1 ZINC000824326937 587266602 /nfs/dbraw/zinc/26/66/02/587266602.db2.gz OZEXBNZSUITAIZ-UHFFFAOYSA-N 1 2 238.281 2.902 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2cc(F)ncc2F)CC1 ZINC000824326937 587266603 /nfs/dbraw/zinc/26/66/03/587266603.db2.gz OZEXBNZSUITAIZ-UHFFFAOYSA-N 1 2 238.281 2.902 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000824471975 587271163 /nfs/dbraw/zinc/27/11/63/587271163.db2.gz LJYLPIDNEWZAMK-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000824471975 587271164 /nfs/dbraw/zinc/27/11/64/587271164.db2.gz LJYLPIDNEWZAMK-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(F)nc1C)C(F)F ZINC000824510560 587272770 /nfs/dbraw/zinc/27/27/70/587272770.db2.gz WEXYYWQONDJNBE-SECBINFHSA-N 1 2 232.249 2.662 20 0 BFADLO Clc1cscc1C[NH+]1CC2(CC2)C1 ZINC000824533265 587273632 /nfs/dbraw/zinc/27/36/32/587273632.db2.gz CNDKLDZHPURIPC-UHFFFAOYSA-N 1 2 213.733 2.997 20 0 BFADLO C(c1nc2c(s1)CCCC2)[NH+]1CC2(CC2)C1 ZINC000824533766 587274652 /nfs/dbraw/zinc/27/46/52/587274652.db2.gz NDXNBUAMXMQSFK-UHFFFAOYSA-N 1 2 234.368 2.618 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2cnccc2c1 ZINC000824554354 587275966 /nfs/dbraw/zinc/27/59/66/587275966.db2.gz FFUYYHYWYOKLNZ-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(C)o1 ZINC000825017116 587299116 /nfs/dbraw/zinc/29/91/16/587299116.db2.gz MAZSTWCOKCEYDL-NOZJJQNGSA-N 1 2 245.326 2.889 20 0 BFADLO CCc1nc(C[NH2+]Cc2cc(C)ccc2F)co1 ZINC000825051201 587300341 /nfs/dbraw/zinc/30/03/41/587300341.db2.gz YAHNOJYJEDMBMK-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CCCn1nccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000826029318 587348628 /nfs/dbraw/zinc/34/86/28/587348628.db2.gz DKNUXBZPXDHVBD-ZDUSSCGKSA-N 1 2 239.338 2.617 20 0 BFADLO CCCn1nccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000826029318 587348629 /nfs/dbraw/zinc/34/86/29/587348629.db2.gz DKNUXBZPXDHVBD-ZDUSSCGKSA-N 1 2 239.338 2.617 20 0 BFADLO Cc1cc(CNc2c[nH+]cc3c2CCCC3)no1 ZINC000826816622 587363265 /nfs/dbraw/zinc/36/32/65/587363265.db2.gz WXNCQHBRTABMGU-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CCN(CCSC)c1cc[nH+]c(C(C)C)n1 ZINC000826852775 587364098 /nfs/dbraw/zinc/36/40/98/587364098.db2.gz ZUBOLVLJCWYIBC-UHFFFAOYSA-N 1 2 239.388 2.789 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccoc2)C[C@](C)(C(F)F)O1 ZINC000827962718 587413565 /nfs/dbraw/zinc/41/35/65/587413565.db2.gz RDSYVWHHEPMPNS-BXKDBHETSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@](C)(C(F)F)O1 ZINC000827962718 587413566 /nfs/dbraw/zinc/41/35/66/587413566.db2.gz RDSYVWHHEPMPNS-BXKDBHETSA-N 1 2 245.269 2.524 20 0 BFADLO CC(C)CC(=O)CC[N@H+](C)Cc1nccs1 ZINC000827971486 587414209 /nfs/dbraw/zinc/41/42/09/587414209.db2.gz ZNGWEMMDSZENRW-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO CC(C)CC(=O)CC[N@@H+](C)Cc1nccs1 ZINC000827971486 587414210 /nfs/dbraw/zinc/41/42/10/587414210.db2.gz ZNGWEMMDSZENRW-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO Clc1cc2c(nn1)C[N@@H+]([C@H]1C=CCCC1)CC2 ZINC000829143711 587484586 /nfs/dbraw/zinc/48/45/86/587484586.db2.gz YLSBZCQTLIJAIF-NSHDSACASA-N 1 2 249.745 2.597 20 0 BFADLO Clc1cc2c(nn1)C[N@H+]([C@H]1C=CCCC1)CC2 ZINC000829143711 587484588 /nfs/dbraw/zinc/48/45/88/587484588.db2.gz YLSBZCQTLIJAIF-NSHDSACASA-N 1 2 249.745 2.597 20 0 BFADLO CC(C)Oc1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000830539594 587557227 /nfs/dbraw/zinc/55/72/27/587557227.db2.gz JTBXONZPFIWWDU-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO FCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832230676 587651893 /nfs/dbraw/zinc/65/18/93/587651893.db2.gz DYLDUJRCBPDXFW-LLVKDONJSA-N 1 2 209.264 2.776 20 0 BFADLO FCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832230676 587651895 /nfs/dbraw/zinc/65/18/95/587651895.db2.gz DYLDUJRCBPDXFW-LLVKDONJSA-N 1 2 209.264 2.776 20 0 BFADLO CCn1cc([C@H](C)[NH2+]C/C(Cl)=C/Cl)cn1 ZINC000832313277 587653866 /nfs/dbraw/zinc/65/38/66/587653866.db2.gz GAQXIHORDFNFJJ-HDPPJLHVSA-N 1 2 248.157 2.873 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)OC2CCCC2)c2[nH+]ccn21 ZINC000832420130 587659539 /nfs/dbraw/zinc/65/95/39/587659539.db2.gz JJNWTOMUUGFBKL-MWLCHTKSSA-N 1 2 249.314 2.558 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)OC2CCCC2)c2[nH+]ccn21 ZINC000832420129 587659564 /nfs/dbraw/zinc/65/95/64/587659564.db2.gz JJNWTOMUUGFBKL-KOLCDFICSA-N 1 2 249.314 2.558 20 0 BFADLO CCON(Cc1c[nH+]c[nH]1)CC1CCCCC1 ZINC000832791724 587690412 /nfs/dbraw/zinc/69/04/12/587690412.db2.gz YVDWCOMZXIDQKX-UHFFFAOYSA-N 1 2 237.347 2.744 20 0 BFADLO CCON(Cc1c[nH]c[nH+]1)CC1CCCCC1 ZINC000832791724 587690413 /nfs/dbraw/zinc/69/04/13/587690413.db2.gz YVDWCOMZXIDQKX-UHFFFAOYSA-N 1 2 237.347 2.744 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833271903 587703848 /nfs/dbraw/zinc/70/38/48/587703848.db2.gz KILHRSFVUVRZIP-BXUZGUMPSA-N 1 2 249.358 2.661 20 0 BFADLO CCCC(C)(C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833277961 587703868 /nfs/dbraw/zinc/70/38/68/587703868.db2.gz KRKGWRJWDZBXQW-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833277196 587703936 /nfs/dbraw/zinc/70/39/36/587703936.db2.gz BGPJLRQYRCKJCR-CMPLNLGQSA-N 1 2 249.358 2.516 20 0 BFADLO O[C@@H](CCNc1cccc[nH+]1)c1ccccc1 ZINC000002039113 587731318 /nfs/dbraw/zinc/73/13/18/587731318.db2.gz HLIOOIHXCHGQGA-ZDUSSCGKSA-N 1 2 228.295 2.617 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)oc1C ZINC000834830472 587768146 /nfs/dbraw/zinc/76/81/46/587768146.db2.gz FCVGISPKZQDZQG-PWSUYJOCSA-N 1 2 245.326 2.889 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H]2CCn3ccnc32)oc1C ZINC000834830468 587768300 /nfs/dbraw/zinc/76/83/00/587768300.db2.gz FCVGISPKZQDZQG-JQWIXIFHSA-N 1 2 245.326 2.889 20 0 BFADLO CCOC(=O)CCC[N@H+](C)c1ccc(C)cc1 ZINC000102401633 587831161 /nfs/dbraw/zinc/83/11/61/587831161.db2.gz AUKFTGSGTNVIDA-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CCOC(=O)CCC[N@@H+](C)c1ccc(C)cc1 ZINC000102401633 587831162 /nfs/dbraw/zinc/83/11/62/587831162.db2.gz AUKFTGSGTNVIDA-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NOCCC1CC1 ZINC000836610125 587835631 /nfs/dbraw/zinc/83/56/31/587835631.db2.gz XSACJYKWUZXHDN-UHFFFAOYSA-N 1 2 249.314 2.552 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)C=C2CCCC2)c2[nH+]ccn21 ZINC000836957201 587843636 /nfs/dbraw/zinc/84/36/36/587843636.db2.gz ZUUINLCULMHBCK-CMPLNLGQSA-N 1 2 245.326 2.506 20 0 BFADLO CCC(=CC(=O)N[C@H](C)c1[nH+]ccn1CC)CC ZINC000836951326 587843649 /nfs/dbraw/zinc/84/36/49/587843649.db2.gz WYUAXOQUMBWFJU-LLVKDONJSA-N 1 2 249.358 2.827 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836955710 587843691 /nfs/dbraw/zinc/84/36/91/587843691.db2.gz RWFZAVAPUGRFKA-LNOKQREWSA-N 1 2 247.342 2.752 20 0 BFADLO CC(C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)=C1CCC1 ZINC000836962491 587844384 /nfs/dbraw/zinc/84/43/84/587844384.db2.gz ZUOUHDRAVYMRIN-JOYOIKCWSA-N 1 2 245.326 2.506 20 0 BFADLO C/C(=C\C(=O)NCc1c[nH+]c(C)cc1C)C1CC1 ZINC000837103808 587853911 /nfs/dbraw/zinc/85/39/11/587853911.db2.gz LZCXMANYSCLSBW-YRNVUSSQSA-N 1 2 244.338 2.671 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1cc(C)nn1C ZINC000841837145 587976651 /nfs/dbraw/zinc/97/66/51/587976651.db2.gz YXYUVJJUBTWMNC-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1cc(C)nn1C ZINC000841837145 587976653 /nfs/dbraw/zinc/97/66/53/587976653.db2.gz YXYUVJJUBTWMNC-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO CO[C@@H](C)C(N)=[NH+]OCC/C=C/c1ccccc1 ZINC000842037380 587991904 /nfs/dbraw/zinc/99/19/04/587991904.db2.gz YJSRVQUFBSFPGE-JXPAYYINSA-N 1 2 248.326 2.623 20 0 BFADLO NC(=[NH+]OCC1=CCCC1)c1ccccc1 ZINC000842648961 588048882 /nfs/dbraw/zinc/04/88/82/588048882.db2.gz PBGLAQJGWIPYFG-UHFFFAOYSA-N 1 2 216.284 2.643 20 0 BFADLO CC1=C(C)C[C@H](C(=O)OCc2c[nH+]cn2C)CC1 ZINC000842726148 588056095 /nfs/dbraw/zinc/05/60/95/588056095.db2.gz UETPJHJSOCAJOT-GFCCVEGCSA-N 1 2 248.326 2.600 20 0 BFADLO CC[NH2+]Cc1noc(C2(CC)CCCCC2)n1 ZINC000843141763 588085946 /nfs/dbraw/zinc/08/59/46/588085946.db2.gz RWGPYQMQSLMHHK-UHFFFAOYSA-N 1 2 237.347 2.791 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)[C@H]1CCCOC1 ZINC000844404017 588189889 /nfs/dbraw/zinc/18/98/89/588189889.db2.gz JCHVSMQPZCZKQU-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)[C@H]1CCCOC1 ZINC000844404017 588189891 /nfs/dbraw/zinc/18/98/91/588189891.db2.gz JCHVSMQPZCZKQU-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C/C=C\Cl ZINC000844474784 588198629 /nfs/dbraw/zinc/19/86/29/588198629.db2.gz QRSJTWRUSGDWEX-DMEOUFDRSA-N 1 2 247.766 2.791 20 0 BFADLO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C/C=C\Cl ZINC000844474784 588198631 /nfs/dbraw/zinc/19/86/31/588198631.db2.gz QRSJTWRUSGDWEX-DMEOUFDRSA-N 1 2 247.766 2.791 20 0 BFADLO CCC[C@H](C)c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000844844948 588218376 /nfs/dbraw/zinc/21/83/76/588218376.db2.gz IMWFXYZFVQQCDS-QWRGUYRKSA-N 1 2 248.330 2.973 20 0 BFADLO CC(C)C[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845284277 588225670 /nfs/dbraw/zinc/22/56/70/588225670.db2.gz AQJIMVKKBLKTRY-NWDGAFQWSA-N 1 2 238.331 2.812 20 0 BFADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)c1ccco1 ZINC000845500356 588230904 /nfs/dbraw/zinc/23/09/04/588230904.db2.gz XTKVMQJQRCOZJQ-WDEREUQCSA-N 1 2 248.282 2.732 20 0 BFADLO C[C@H](CC(=O)OCCC1(C)CC1)n1cc[nH+]c1 ZINC000845531161 588232450 /nfs/dbraw/zinc/23/24/50/588232450.db2.gz CODIVFDFGUDEGC-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO Cc1nc(NCC[C@]2(C)C[C@@]2(F)Cl)cc[nH+]1 ZINC000845655111 588239813 /nfs/dbraw/zinc/23/98/13/588239813.db2.gz YUJSSVXXBVGYQI-MNOVXSKESA-N 1 2 243.713 2.902 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)[C@@H](C)CO1 ZINC000845660308 588239916 /nfs/dbraw/zinc/23/99/16/588239916.db2.gz CDRYUAHDPBXTIT-RYUDHWBXSA-N 1 2 249.358 2.604 20 0 BFADLO CCN(c1cc[nH+]c(C(C)C)n1)[C@H]1CCCOC1 ZINC000845670336 588240318 /nfs/dbraw/zinc/24/03/18/588240318.db2.gz RHLQUTUAFGDDHR-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO CSc1ccc[nH+]c1NC[C@@H]1CCC=CO1 ZINC000846061887 588255092 /nfs/dbraw/zinc/25/50/92/588255092.db2.gz WGQPPZYLERULRP-JTQLQIEISA-N 1 2 236.340 2.908 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H](F)C2)cnc1Cl ZINC000846119368 588257760 /nfs/dbraw/zinc/25/77/60/588257760.db2.gz DDJYQUODZDJGOP-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H](F)C2)cnc1Cl ZINC000846119368 588257761 /nfs/dbraw/zinc/25/77/61/588257761.db2.gz DDJYQUODZDJGOP-LLVKDONJSA-N 1 2 242.725 2.977 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000846116661 588257908 /nfs/dbraw/zinc/25/79/08/588257908.db2.gz FBMBDLFHZKFIAH-OLZOCXBDSA-N 1 2 232.327 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H]2C2CC2)c1 ZINC000846116660 588257960 /nfs/dbraw/zinc/25/79/60/588257960.db2.gz FBMBDLFHZKFIAH-CHWSQXEVSA-N 1 2 232.327 2.829 20 0 BFADLO Fc1ccccc1OCC[N@H+]1CCC[C@H](F)C1 ZINC000846120542 588258122 /nfs/dbraw/zinc/25/81/22/588258122.db2.gz ROZZTPCJZNMFIB-NSHDSACASA-N 1 2 241.281 2.638 20 0 BFADLO Fc1ccccc1OCC[N@@H+]1CCC[C@H](F)C1 ZINC000846120542 588258123 /nfs/dbraw/zinc/25/81/23/588258123.db2.gz ROZZTPCJZNMFIB-NSHDSACASA-N 1 2 241.281 2.638 20 0 BFADLO Fc1ccccc1OCC[N@H+]1CCC[C@@H](F)C1 ZINC000846120541 588258190 /nfs/dbraw/zinc/25/81/90/588258190.db2.gz ROZZTPCJZNMFIB-LLVKDONJSA-N 1 2 241.281 2.638 20 0 BFADLO Fc1ccccc1OCC[N@@H+]1CCC[C@@H](F)C1 ZINC000846120541 588258191 /nfs/dbraw/zinc/25/81/91/588258191.db2.gz ROZZTPCJZNMFIB-LLVKDONJSA-N 1 2 241.281 2.638 20 0 BFADLO C/C(=C/C(=O)NC(C)(C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000846245365 588262361 /nfs/dbraw/zinc/26/23/61/588262361.db2.gz WLVHYXKDIVKJNL-KTKRTIGZSA-N 1 2 249.358 2.753 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244623 588262502 /nfs/dbraw/zinc/26/25/02/588262502.db2.gz LVMHXJNSULMWRP-KTKRTIGZSA-N 1 2 249.358 2.753 20 0 BFADLO COCCCC[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846745962 588284361 /nfs/dbraw/zinc/28/43/61/588284361.db2.gz QDLMCILSZQFVMG-NSHDSACASA-N 1 2 235.327 2.849 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@H]3CCOC[C@H]3C)ccc2O1 ZINC000846751323 588285336 /nfs/dbraw/zinc/28/53/36/588285336.db2.gz CXLZGCKZKLPAND-GYSYKLTISA-N 1 2 247.338 2.847 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@H]3CCOC[C@@H]3C)ccc2O1 ZINC000846751329 588285378 /nfs/dbraw/zinc/28/53/78/588285378.db2.gz CXLZGCKZKLPAND-WDMOLILDSA-N 1 2 247.338 2.847 20 0 BFADLO CC1CCC([N@H+](C)Cc2cnsn2)CC1 ZINC000846765248 588286543 /nfs/dbraw/zinc/28/65/43/588286543.db2.gz MKAXJEDIZJCLDH-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC1CCC([N@@H+](C)Cc2cnsn2)CC1 ZINC000846765248 588286544 /nfs/dbraw/zinc/28/65/44/588286544.db2.gz MKAXJEDIZJCLDH-UHFFFAOYSA-N 1 2 225.361 2.549 20 0 BFADLO CC[C@@](C)([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846845456 588293011 /nfs/dbraw/zinc/29/30/11/588293011.db2.gz WLLBYCAHQITPJC-CYBMUJFWSA-N 1 2 247.367 2.953 20 0 BFADLO CC(C)C1(C)CC[NH+](Cc2cnsn2)CC1 ZINC000846856611 588293939 /nfs/dbraw/zinc/29/39/39/588293939.db2.gz DCMLLRGLHYOYKK-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cnc(Cl)c(F)c1 ZINC000846886430 588295670 /nfs/dbraw/zinc/29/56/70/588295670.db2.gz ZKUQQQYLSQDYQM-HTQZYQBOSA-N 1 2 228.698 2.857 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846918627 588296731 /nfs/dbraw/zinc/29/67/31/588296731.db2.gz LZZMIEGZHDZSDO-SECBINFHSA-N 1 2 228.698 2.858 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846918627 588296732 /nfs/dbraw/zinc/29/67/32/588296732.db2.gz LZZMIEGZHDZSDO-SECBINFHSA-N 1 2 228.698 2.858 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1ccccc1C(C)C ZINC000848886308 588416807 /nfs/dbraw/zinc/41/68/07/588416807.db2.gz RLIVUYCVHPYEAN-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1ccccc1C(C)C ZINC000848886308 588416808 /nfs/dbraw/zinc/41/68/08/588416808.db2.gz RLIVUYCVHPYEAN-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO C[NH+](C)c1ccc(-n2cc(C(C)(C)C)nn2)cc1 ZINC000849146403 588455506 /nfs/dbraw/zinc/45/55/06/588455506.db2.gz RUFIWYSERPLLNU-UHFFFAOYSA-N 1 2 244.342 2.631 20 0 BFADLO CC1=CC[C@](C)(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000850098489 588519933 /nfs/dbraw/zinc/51/99/33/588519933.db2.gz VBCLSIJFBFSYRM-AWEZNQCLSA-N 1 2 248.326 2.563 20 0 BFADLO COc1cc(C)c(NCc2[nH]cc(C)[nH+]2)cc1C ZINC000850279797 588534164 /nfs/dbraw/zinc/53/41/64/588534164.db2.gz MRWPCLRTWJLEOU-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cnon2)c1 ZINC000851732030 588619371 /nfs/dbraw/zinc/61/93/71/588619371.db2.gz HMWCSBFSFAIJTF-CYBMUJFWSA-N 1 2 247.273 2.546 20 0 BFADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2cnon2)c1 ZINC000851732030 588619372 /nfs/dbraw/zinc/61/93/72/588619372.db2.gz HMWCSBFSFAIJTF-CYBMUJFWSA-N 1 2 247.273 2.546 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cnon2)[C@@H](c2ccco2)C1 ZINC000851793690 588629137 /nfs/dbraw/zinc/62/91/37/588629137.db2.gz HFIFOEMYRIUIEA-ZYHUDNBSSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cnon2)[C@@H](c2ccco2)C1 ZINC000851793690 588629138 /nfs/dbraw/zinc/62/91/38/588629138.db2.gz HFIFOEMYRIUIEA-ZYHUDNBSSA-N 1 2 247.298 2.636 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)Cc1cccnc1 ZINC000851865426 588636280 /nfs/dbraw/zinc/63/62/80/588636280.db2.gz DKPQKUUNEKFDIA-UHFFFAOYSA-N 1 2 231.126 2.832 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)Cc1cccnc1 ZINC000851865426 588636281 /nfs/dbraw/zinc/63/62/81/588636281.db2.gz DKPQKUUNEKFDIA-UHFFFAOYSA-N 1 2 231.126 2.832 20 0 BFADLO C[C@@H]([NH2+]Cc1cnon1)c1cccc(Cl)c1 ZINC000851891727 588641313 /nfs/dbraw/zinc/64/13/13/588641313.db2.gz AGESQGXCPOWYLR-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO CC[C@@H](C)[C@H](C)[NH2+]CC(F)(F)Br ZINC000851903500 588642075 /nfs/dbraw/zinc/64/20/75/588642075.db2.gz PGLAJHJZHXKPIU-RQJHMYQMSA-N 1 2 244.123 2.998 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1nccs1 ZINC000851930840 588644922 /nfs/dbraw/zinc/64/49/22/588644922.db2.gz DRTRXGVZWYLCGN-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO COCC1=CC[N@H+](CC=C(Cl)Cl)CC1 ZINC000851951225 588647419 /nfs/dbraw/zinc/64/74/19/588647419.db2.gz WJXUZOVXZBZHHU-UHFFFAOYSA-N 1 2 236.142 2.584 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@H](C)[C@@H](C)O1 ZINC000851967728 588648889 /nfs/dbraw/zinc/64/88/89/588648889.db2.gz DXDQARNTIHYACQ-IWSPIJDZSA-N 1 2 238.158 2.803 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@H](C)[C@@H](C)O1 ZINC000851967728 588648890 /nfs/dbraw/zinc/64/88/90/588648890.db2.gz DXDQARNTIHYACQ-IWSPIJDZSA-N 1 2 238.158 2.803 20 0 BFADLO Fc1cccc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000852053580 588658029 /nfs/dbraw/zinc/65/80/29/588658029.db2.gz BHUNZANPHLEYOC-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO Fc1cccc(C[N@H+]2CCCc3occc3C2)n1 ZINC000852053580 588658030 /nfs/dbraw/zinc/65/80/30/588658030.db2.gz BHUNZANPHLEYOC-UHFFFAOYSA-N 1 2 246.285 2.762 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852097467 588662484 /nfs/dbraw/zinc/66/24/84/588662484.db2.gz WOELLFCWRZFKBR-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852097467 588662485 /nfs/dbraw/zinc/66/24/85/588662485.db2.gz WOELLFCWRZFKBR-GFCCVEGCSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1cccc(C2([NH2+]Cc3cnon3)CCC2)c1 ZINC000852206344 588671676 /nfs/dbraw/zinc/67/16/76/588671676.db2.gz HPJQIXTZFXEYDR-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO CC[C@@H]1C[N@H+](CC=C(Cl)Cl)[C@@H](C)CO1 ZINC000852210755 588672574 /nfs/dbraw/zinc/67/25/74/588672574.db2.gz ACVKRRQJSHPIPS-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1C[N@@H+](CC=C(Cl)Cl)[C@@H](C)CO1 ZINC000852210755 588672575 /nfs/dbraw/zinc/67/25/75/588672575.db2.gz ACVKRRQJSHPIPS-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO CC[N@H+](C/C=C/Cl)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306792 588677661 /nfs/dbraw/zinc/67/76/61/588677661.db2.gz RRTFTDYQLMJPCJ-JARNTUPDSA-N 1 2 247.766 2.791 20 0 BFADLO CC[N@@H+](C/C=C/Cl)[C@@H](C)C(=O)OC(C)(C)C ZINC000852306792 588677662 /nfs/dbraw/zinc/67/76/62/588677662.db2.gz RRTFTDYQLMJPCJ-JARNTUPDSA-N 1 2 247.766 2.791 20 0 BFADLO Cc1c(C[NH2+][C@@H]2CCCC2(F)F)ccnc1F ZINC000862369742 589205193 /nfs/dbraw/zinc/20/51/93/589205193.db2.gz XEQSHKVPBPMJJW-SNVBAGLBSA-N 1 2 244.260 2.807 20 0 BFADLO Fc1ccc2c(c1)OCC[N@@H+](Cc1ccoc1)C2 ZINC000862551091 589220736 /nfs/dbraw/zinc/22/07/36/589220736.db2.gz RFSIRCXJDBEHSW-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Fc1ccc2c(c1)OCC[N@H+](Cc1ccoc1)C2 ZINC000862551091 589220738 /nfs/dbraw/zinc/22/07/38/589220738.db2.gz RFSIRCXJDBEHSW-UHFFFAOYSA-N 1 2 247.269 2.813 20 0 BFADLO Cc1ccc(NC(=O)/C=C/c2ccco2)c(C)[nH+]1 ZINC000119391479 589276317 /nfs/dbraw/zinc/27/63/17/589276317.db2.gz CRIKXSAXNXCKAD-SOFGYWHQSA-N 1 2 242.278 2.943 20 0 BFADLO CCC(F)(F)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000863577744 589301433 /nfs/dbraw/zinc/30/14/33/589301433.db2.gz IXSRYBANXONVGK-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO CC(C)c1[nH+]cc(-c2cccc3nonc32)n1C ZINC000863975100 589331226 /nfs/dbraw/zinc/33/12/26/589331226.db2.gz FRYSXMYAJHGBFW-UHFFFAOYSA-N 1 2 242.282 2.747 20 0 BFADLO Cc1[nH]cc(-c2ccc(C3(O)CCC3)cc2)[nH+]1 ZINC000863977104 589331878 /nfs/dbraw/zinc/33/18/78/589331878.db2.gz RIXCFMHTSICQDE-UHFFFAOYSA-N 1 2 228.295 2.757 20 0 BFADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cc[nH]n1 ZINC000863983614 589333513 /nfs/dbraw/zinc/33/35/13/589333513.db2.gz JPNAIUQJVOIYIK-UONOGXRCSA-N 1 2 245.301 2.525 20 0 BFADLO CC(C)[C@@H](Nc1cccc([C@@H](C)O)[nH+]1)C1CC1 ZINC000864092904 589343902 /nfs/dbraw/zinc/34/39/02/589343902.db2.gz BQUWNXCGPFQCNT-QMTHXVAHSA-N 1 2 234.343 2.981 20 0 BFADLO CC(C)(C)SCCCOCc1[nH]cc[nH+]1 ZINC000865361802 589426156 /nfs/dbraw/zinc/42/61/56/589426156.db2.gz AOQNBYQOTZWUCY-UHFFFAOYSA-N 1 2 228.361 2.848 20 0 BFADLO CC(C)(C)c1cn(C[C@H]2CC(C)(C)CO2)c[nH+]1 ZINC000865376431 589427996 /nfs/dbraw/zinc/42/79/96/589427996.db2.gz NDZUABRTYGCEMI-LLVKDONJSA-N 1 2 236.359 2.996 20 0 BFADLO Cc1ccnc(Cn2c[nH+]c(C(C)(C)C)c2)c1 ZINC000865376291 589428159 /nfs/dbraw/zinc/42/81/59/589428159.db2.gz HUYDFORENYZWAI-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO CC(C)c1nnc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC000865376117 589428163 /nfs/dbraw/zinc/42/81/63/589428163.db2.gz ZTRPGHGMFMJNDI-UHFFFAOYSA-N 1 2 248.330 2.735 20 0 BFADLO CCc1nocc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376178 589428509 /nfs/dbraw/zinc/42/85/09/589428509.db2.gz CPURWWCLSOGMRE-UHFFFAOYSA-N 1 2 233.315 2.779 20 0 BFADLO CC(C)(C)c1cn(Cc2cncs2)c[nH+]1 ZINC000865376238 589428513 /nfs/dbraw/zinc/42/85/13/589428513.db2.gz FUODYYRNUBBOFK-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO CCC[C@@H](O)CCCSCc1c[nH+]cn1C ZINC000865380183 589429857 /nfs/dbraw/zinc/42/98/57/589429857.db2.gz JATKLIKBPLKSHI-GFCCVEGCSA-N 1 2 242.388 2.595 20 0 BFADLO CCNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865401536 589432813 /nfs/dbraw/zinc/43/28/13/589432813.db2.gz XVQGUNLEQFQKJD-UHFFFAOYSA-N 1 2 204.195 2.841 20 0 BFADLO CC(C)Cc1cc(NCc2ccoc2)nc[nH+]1 ZINC000865464544 589437970 /nfs/dbraw/zinc/43/79/70/589437970.db2.gz LGWBKIQOWXBVJU-UHFFFAOYSA-N 1 2 231.299 2.880 20 0 BFADLO Cc1c(Cl)cccc1C[NH2+]Cc1ccon1 ZINC000865481332 589440650 /nfs/dbraw/zinc/44/06/50/589440650.db2.gz OAVNYBKJPHQBGD-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO COCC[C@H](C)Nc1cc(CC(C)C)[nH+]cn1 ZINC000865497830 589441457 /nfs/dbraw/zinc/44/14/57/589441457.db2.gz RNRLAPYKJZJZLC-NSHDSACASA-N 1 2 237.347 2.512 20 0 BFADLO CO[C@H](C)CCNc1cc(CC(C)C)[nH+]cn1 ZINC000865499253 589441868 /nfs/dbraw/zinc/44/18/68/589441868.db2.gz IDQNHDQJEPVZIF-LLVKDONJSA-N 1 2 237.347 2.512 20 0 BFADLO CC(C)Cc1cc(N[C@H](C)[C@@H]2CCOC2)nc[nH+]1 ZINC000865560712 589447017 /nfs/dbraw/zinc/44/70/17/589447017.db2.gz NOQCKROFNBTVCE-VXGBXAGGSA-N 1 2 249.358 2.512 20 0 BFADLO CC[C@H](CO)Nc1[nH+]cc(C(F)(F)F)cc1C ZINC000865656301 589454652 /nfs/dbraw/zinc/45/46/52/589454652.db2.gz UGLCSKGHPQCSPS-SECBINFHSA-N 1 2 248.248 2.592 20 0 BFADLO CC(C)Cc1cc(NCC[C@H]2CCOC2)nc[nH+]1 ZINC000865675276 589455602 /nfs/dbraw/zinc/45/56/02/589455602.db2.gz XTZVWVNIUUUYJI-LBPRGKRZSA-N 1 2 249.358 2.514 20 0 BFADLO CCCCc1cc(NC[C@H]2CCC=CO2)nc[nH+]1 ZINC000865708979 589457858 /nfs/dbraw/zinc/45/78/58/589457858.db2.gz IXIUYRLVIXPKDQ-CYBMUJFWSA-N 1 2 247.342 2.924 20 0 BFADLO C[C@H](O)c1ccc(N2CC3(CCC3)C[C@H]2C)[nH+]c1 ZINC000865728382 589458968 /nfs/dbraw/zinc/45/89/68/589458968.db2.gz UXCXIMSRNMCODE-NEPJUHHUSA-N 1 2 246.354 2.904 20 0 BFADLO Clc1cc2c(nc[nH+]c2N[C@@H]2[C@@H]3CCC[C@@H]32)[nH]1 ZINC000865734161 589459031 /nfs/dbraw/zinc/45/90/31/589459031.db2.gz LQTIKKNYFXAOBJ-LYIWLLOFSA-N 1 2 248.717 2.773 20 0 BFADLO FCCCCNc1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865820762 589463165 /nfs/dbraw/zinc/46/31/65/589463165.db2.gz FDIBICCJJLKCCJ-UHFFFAOYSA-N 1 2 242.685 2.773 20 0 BFADLO C=C=CCNc1cc(CCCC)[nH+]cn1 ZINC000865823440 589463188 /nfs/dbraw/zinc/46/31/88/589463188.db2.gz UJFOYIPGYSHQTQ-UHFFFAOYSA-N 1 2 203.289 2.572 20 0 BFADLO C[C@H](O)c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000865871295 589466099 /nfs/dbraw/zinc/46/60/99/589466099.db2.gz GVCWEYJMCSQJFT-LFSVMHDDSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H]2CCCC[C@H]2F)[nH+]c1 ZINC000865878226 589467068 /nfs/dbraw/zinc/46/70/68/589467068.db2.gz DRKOHSOJNNNKCB-YUSALJHKSA-N 1 2 238.306 2.828 20 0 BFADLO CC(C)c1nc(N2CC[C@@H]2C(F)(F)F)cc[nH+]1 ZINC000865923234 589468602 /nfs/dbraw/zinc/46/86/02/589468602.db2.gz KRMDFFXRDFWFIZ-MRVPVSSYSA-N 1 2 245.248 2.741 20 0 BFADLO CCC[C@@H](CCO)Nc1cc[nH+]c(C(C)C)n1 ZINC000866002882 589472267 /nfs/dbraw/zinc/47/22/67/589472267.db2.gz KDMQMUGVAWVROH-NSHDSACASA-N 1 2 237.347 2.563 20 0 BFADLO CC(C)(F)C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866408963 589491278 /nfs/dbraw/zinc/49/12/78/589491278.db2.gz GIOTWWHEHLFHDL-JQWIXIFHSA-N 1 2 241.281 2.796 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)s1 ZINC000866456243 589494615 /nfs/dbraw/zinc/49/46/15/589494615.db2.gz XNGIONYYVAZZRP-SFYZADRCSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)c(C)o1 ZINC000122230952 589567399 /nfs/dbraw/zinc/56/73/99/589567399.db2.gz GTBUAMKCAPZDHR-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccnc(Cl)c1 ZINC000122431351 589589464 /nfs/dbraw/zinc/58/94/64/589589464.db2.gz VPTBBGAZMRAHJT-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO Cc1cccc(CO[NH+]=C(N)COC2CCC2)c1 ZINC000871775843 589814068 /nfs/dbraw/zinc/81/40/68/589814068.db2.gz MNCWTPBOJSYJFH-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO CCn1ncc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000872139978 589881011 /nfs/dbraw/zinc/88/10/11/589881011.db2.gz UQLXWPOVCRGFEG-KOLCDFICSA-N 1 2 245.330 2.526 20 0 BFADLO Cc1cc(CNc2ncnc(F)c2C)cc(C)[nH+]1 ZINC000872572767 589953280 /nfs/dbraw/zinc/95/32/80/589953280.db2.gz RKNGEJBJEJURHW-UHFFFAOYSA-N 1 2 246.289 2.548 20 0 BFADLO Cc1nc(N2CC[C@@](C)(C(F)(F)F)C2)cc[nH+]1 ZINC000872730947 589965979 /nfs/dbraw/zinc/96/59/79/589965979.db2.gz RTUCWDFSVJKASZ-SNVBAGLBSA-N 1 2 245.248 2.564 20 0 BFADLO Nc1nc(N[C@H]2CC23CCC3)[nH+]c2ccccc12 ZINC000872774668 589967730 /nfs/dbraw/zinc/96/77/30/589967730.db2.gz GLIGXCAMRTXBTA-NSHDSACASA-N 1 2 240.310 2.567 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2nccnc2C)o1 ZINC000873186725 589990849 /nfs/dbraw/zinc/99/08/49/589990849.db2.gz DPXOIXAUQNQGEG-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CC[C@H](C)CN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124911029 590097834 /nfs/dbraw/zinc/09/78/34/590097834.db2.gz DGNBLYDCTBFWFN-WDEREUQCSA-N 1 2 222.332 2.617 20 0 BFADLO CCCCCCC(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000125372686 590162796 /nfs/dbraw/zinc/16/27/96/590162796.db2.gz SDSYZJBJSFLCST-SNVBAGLBSA-N 1 2 223.320 2.557 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000875692213 590168308 /nfs/dbraw/zinc/16/83/08/590168308.db2.gz MIUQPUWLRBNTIF-GWNIPJSYSA-N 1 2 244.338 2.929 20 0 BFADLO CO[C@@H](CNc1ccc([NH+](C)C)cc1C)C1CC1 ZINC000876818756 590245647 /nfs/dbraw/zinc/24/56/47/590245647.db2.gz YYFJAGCYXVKZRR-HNNXBMFYSA-N 1 2 248.370 2.898 20 0 BFADLO COc1ccc([NH2+]CCC[C@H]2CCO2)c(C)c1 ZINC000876843690 590249052 /nfs/dbraw/zinc/24/90/52/590249052.db2.gz SKOKYVGFGCGGBA-LBPRGKRZSA-N 1 2 235.327 2.985 20 0 BFADLO Cc1occc1C[NH2+]Cc1nc(Cl)cs1 ZINC000876962825 590261870 /nfs/dbraw/zinc/26/18/70/590261870.db2.gz XTJKILAGIJZMGL-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Fc1cc(C[NH+]2CC(C3CC3)C2)cnc1Cl ZINC000877541996 590351648 /nfs/dbraw/zinc/35/16/48/590351648.db2.gz NPLRHVDZIDZGNH-UHFFFAOYSA-N 1 2 240.709 2.716 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000877635696 590380418 /nfs/dbraw/zinc/38/04/18/590380418.db2.gz BSVALQODZFPBGN-HTQZYQBOSA-N 1 2 228.748 2.638 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000877635696 590380421 /nfs/dbraw/zinc/38/04/21/590380421.db2.gz BSVALQODZFPBGN-HTQZYQBOSA-N 1 2 228.748 2.638 20 0 BFADLO Cc1cc(C[NH+]2CC(c3ccccc3)C2)no1 ZINC000877665837 590388230 /nfs/dbraw/zinc/38/82/30/590388230.db2.gz LCLJTZORYNZJAP-UHFFFAOYSA-N 1 2 228.295 2.582 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877716488 590398443 /nfs/dbraw/zinc/39/84/43/590398443.db2.gz CGFWYMQKEAXPCI-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877716488 590398445 /nfs/dbraw/zinc/39/84/45/590398445.db2.gz CGFWYMQKEAXPCI-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO Cc1occc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877770298 590419637 /nfs/dbraw/zinc/41/96/37/590419637.db2.gz RENHZQWPBUCMAA-UHFFFAOYSA-N 1 2 223.316 2.587 20 0 BFADLO c1c[nH+]c(COCC2CCC3(CC3)CC2)[nH]1 ZINC000877883689 590438179 /nfs/dbraw/zinc/43/81/79/590438179.db2.gz KKZZHPBMJWQUQP-UHFFFAOYSA-N 1 2 220.316 2.897 20 0 BFADLO C=C/C=C/CC[N@@H+](CC(F)F)C1CC1 ZINC000878084449 590489997 /nfs/dbraw/zinc/48/99/97/590489997.db2.gz SUJNKSMBVJEUKU-ONEGZZNKSA-N 1 2 201.260 2.848 20 0 BFADLO C=C/C=C/CC[N@H+](CC(F)F)C1CC1 ZINC000878084449 590489999 /nfs/dbraw/zinc/48/99/99/590489999.db2.gz SUJNKSMBVJEUKU-ONEGZZNKSA-N 1 2 201.260 2.848 20 0 BFADLO CC(C)[N@H+](CCCOC(F)(F)F)CC(F)F ZINC000878200202 590522828 /nfs/dbraw/zinc/52/28/28/590522828.db2.gz MNICYJSUBAFYFX-UHFFFAOYSA-N 1 2 249.223 2.888 20 0 BFADLO CC(C)[N@@H+](CCCOC(F)(F)F)CC(F)F ZINC000878200202 590522829 /nfs/dbraw/zinc/52/28/29/590522829.db2.gz MNICYJSUBAFYFX-UHFFFAOYSA-N 1 2 249.223 2.888 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878321720 590545220 /nfs/dbraw/zinc/54/52/20/590545220.db2.gz UIFBQZUTGGDOGX-MNOVXSKESA-N 1 2 245.313 2.818 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878321720 590545222 /nfs/dbraw/zinc/54/52/22/590545222.db2.gz UIFBQZUTGGDOGX-MNOVXSKESA-N 1 2 245.313 2.818 20 0 BFADLO CC1(C)CC[C@@H](C[N@@H+]2Cc3cccnc3C2)OC1 ZINC000878548834 590590516 /nfs/dbraw/zinc/59/05/16/590590516.db2.gz VZORNCABLLERTA-ZDUSSCGKSA-N 1 2 246.354 2.602 20 0 BFADLO CC1(C)CC[C@@H](C[N@H+]2Cc3cccnc3C2)OC1 ZINC000878548834 590590517 /nfs/dbraw/zinc/59/05/17/590590517.db2.gz VZORNCABLLERTA-ZDUSSCGKSA-N 1 2 246.354 2.602 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1nocc1C ZINC000878643290 590600229 /nfs/dbraw/zinc/60/02/29/590600229.db2.gz KOEMXVWNFMMMSJ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1nocc1C ZINC000878643290 590600231 /nfs/dbraw/zinc/60/02/31/590600231.db2.gz KOEMXVWNFMMMSJ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+]1CCC=C(Cl)C1 ZINC000878792182 590622987 /nfs/dbraw/zinc/62/29/87/590622987.db2.gz YEEDBAHBYQUCKQ-JTQLQIEISA-N 1 2 222.719 2.971 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+]1CCC=C(Cl)C1 ZINC000878792182 590622988 /nfs/dbraw/zinc/62/29/88/590622988.db2.gz YEEDBAHBYQUCKQ-JTQLQIEISA-N 1 2 222.719 2.971 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2CCC=C(Cl)C2)cn1 ZINC000878790939 590623139 /nfs/dbraw/zinc/62/31/39/590623139.db2.gz YKWRGZYALDKDJQ-SNVBAGLBSA-N 1 2 237.734 2.674 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2CCC=C(Cl)C2)cn1 ZINC000878790939 590623140 /nfs/dbraw/zinc/62/31/40/590623140.db2.gz YKWRGZYALDKDJQ-SNVBAGLBSA-N 1 2 237.734 2.674 20 0 BFADLO Cc1cccnc1C[N@@H+]1CCC=C(Cl)C1 ZINC000878791122 590623142 /nfs/dbraw/zinc/62/31/42/590623142.db2.gz GBAXJEYDLJCMJX-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cccnc1C[N@H+]1CCC=C(Cl)C1 ZINC000878791122 590623143 /nfs/dbraw/zinc/62/31/43/590623143.db2.gz GBAXJEYDLJCMJX-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cncc(C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878791513 590623768 /nfs/dbraw/zinc/62/37/68/590623768.db2.gz OTMZVQSTKRQPHS-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1cncc(C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878791513 590623769 /nfs/dbraw/zinc/62/37/69/590623769.db2.gz OTMZVQSTKRQPHS-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO CN(C)c1cc(CN(C)c2ccsc2)cc[nH+]1 ZINC000878830904 590628659 /nfs/dbraw/zinc/62/86/59/590628659.db2.gz RYUAFALNCRIPDC-UHFFFAOYSA-N 1 2 247.367 2.846 20 0 BFADLO CCCCCC[N@@H+](C)Cc1cn[nH]c1C ZINC000879185428 590709879 /nfs/dbraw/zinc/70/98/79/590709879.db2.gz NNUBTYVRHYVSPL-UHFFFAOYSA-N 1 2 209.337 2.730 20 0 BFADLO Cc1conc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000879052751 590687364 /nfs/dbraw/zinc/68/73/64/590687364.db2.gz FPXQKKPCEFBXJY-SECBINFHSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1conc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000879052751 590687369 /nfs/dbraw/zinc/68/73/69/590687369.db2.gz FPXQKKPCEFBXJY-SECBINFHSA-N 1 2 230.258 2.603 20 0 BFADLO CC[C@@](C)([NH2+]Cc1cnon1)c1ccc(F)cc1 ZINC000879128694 590698632 /nfs/dbraw/zinc/69/86/32/590698632.db2.gz PNLPYBOCJUZDKO-CYBMUJFWSA-N 1 2 249.289 2.624 20 0 BFADLO CO[C@@H]1CC[C@@H](C)[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000879321815 590743279 /nfs/dbraw/zinc/74/32/79/590743279.db2.gz OSKXUNUJJMCFHY-ZOGXEDGJSA-N 1 2 238.158 2.805 20 0 BFADLO CO[C@@H]1CC[C@@H](C)[N@H+](C/C(Cl)=C/Cl)C1 ZINC000879321815 590743276 /nfs/dbraw/zinc/74/32/76/590743276.db2.gz OSKXUNUJJMCFHY-ZOGXEDGJSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@H+](CC2=CCCC2)CCO1 ZINC000879502409 590783557 /nfs/dbraw/zinc/78/35/57/590783557.db2.gz HMOMCNOFFPMWNQ-LLVKDONJSA-N 1 2 249.276 2.750 20 0 BFADLO C[C@]1(C(F)(F)F)C[N@@H+](CC2=CCCC2)CCO1 ZINC000879502409 590783562 /nfs/dbraw/zinc/78/35/62/590783562.db2.gz HMOMCNOFFPMWNQ-LLVKDONJSA-N 1 2 249.276 2.750 20 0 BFADLO Cl/C=C(\Cl)C[NH2+][C@@H]1CCCn2nccc21 ZINC000879788446 590870172 /nfs/dbraw/zinc/87/01/72/590870172.db2.gz HIGKOFZTJBMUSB-JGAIRUGNSA-N 1 2 246.141 2.627 20 0 BFADLO COCC1([N@H+](C)C/C(Cl)=C/Cl)CCC1 ZINC000880186061 590954456 /nfs/dbraw/zinc/95/44/56/590954456.db2.gz OAMGZOSHSGJROU-TWGQIWQCSA-N 1 2 238.158 2.806 20 0 BFADLO COCC1([N@@H+](C)C/C(Cl)=C/Cl)CCC1 ZINC000880186061 590954458 /nfs/dbraw/zinc/95/44/58/590954458.db2.gz OAMGZOSHSGJROU-TWGQIWQCSA-N 1 2 238.158 2.806 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323472 591005382 /nfs/dbraw/zinc/00/53/82/591005382.db2.gz RPLBHNKQRQEFPP-SECBINFHSA-N 1 2 246.326 2.978 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880323472 591005384 /nfs/dbraw/zinc/00/53/84/591005384.db2.gz RPLBHNKQRQEFPP-SECBINFHSA-N 1 2 246.326 2.978 20 0 BFADLO Cc1noc(C[N@@H+]2CCc3ccsc3[C@@H]2C)n1 ZINC000880377292 591015622 /nfs/dbraw/zinc/01/56/22/591015622.db2.gz RQEHYSAMXPANFS-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1noc(C[N@H+]2CCc3ccsc3[C@@H]2C)n1 ZINC000880377292 591015627 /nfs/dbraw/zinc/01/56/27/591015627.db2.gz RQEHYSAMXPANFS-QMMMGPOBSA-N 1 2 249.339 2.559 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1ncccn1 ZINC000880376248 591016442 /nfs/dbraw/zinc/01/64/42/591016442.db2.gz DGZPIQYNODLCIL-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ncccn1 ZINC000880376248 591016445 /nfs/dbraw/zinc/01/64/45/591016445.db2.gz DGZPIQYNODLCIL-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1nccn1C ZINC000880377244 591016742 /nfs/dbraw/zinc/01/67/42/591016742.db2.gz QASKLVABISYENZ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1nccn1C ZINC000880377244 591016747 /nfs/dbraw/zinc/01/67/47/591016747.db2.gz QASKLVABISYENZ-JTQLQIEISA-N 1 2 247.367 2.601 20 0 BFADLO C[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C(F)F ZINC000880533232 591085140 /nfs/dbraw/zinc/08/51/40/591085140.db2.gz BFJKVCHUZPIKSP-OIBJUYFYSA-N 1 2 249.688 2.617 20 0 BFADLO Cc1[nH+]cnc(N(C)Cc2cccc(F)c2)c1C ZINC000881748272 591268404 /nfs/dbraw/zinc/26/84/04/591268404.db2.gz HJJKIEHJUCZNNB-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO COc1ccccc1CNc1nc[nH+]c(C)c1C ZINC000881741660 591268705 /nfs/dbraw/zinc/26/87/05/591268705.db2.gz OSZQVDJUABIOLB-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1[nH+]cnc(N(C)Cc2ccccc2F)c1C ZINC000881748729 591268880 /nfs/dbraw/zinc/26/88/80/591268880.db2.gz QXBAPXKSIIPCRD-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCC[C@H]2C)c1C ZINC000881923458 591278762 /nfs/dbraw/zinc/27/87/62/591278762.db2.gz KQEDWAJLPNWRCP-KCJUWKMLSA-N 1 2 205.305 2.694 20 0 BFADLO Cc1[nH+]cnc(NCCNc2ccccc2)c1C ZINC000881997090 591286157 /nfs/dbraw/zinc/28/61/57/591286157.db2.gz UVKMLRSGRUQOMZ-UHFFFAOYSA-N 1 2 242.326 2.617 20 0 BFADLO CC[C@@]1(C)CCN(c2nc[nH+]c(C)c2C)C1 ZINC000882085669 591295060 /nfs/dbraw/zinc/29/50/60/591295060.db2.gz PQSSGXCWIRJYFH-ZDUSSCGKSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CCO[C@H](C)C2)c1C ZINC000882177296 591311770 /nfs/dbraw/zinc/31/17/70/591311770.db2.gz OHLSOIAGBGZXCZ-MFKMUULPSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CCO[C@@H](C)C2)c1C ZINC000882177294 591311893 /nfs/dbraw/zinc/31/18/93/591311893.db2.gz OHLSOIAGBGZXCZ-GWCFXTLKSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC[C@@H](C)C2)c1C ZINC000882229498 591317784 /nfs/dbraw/zinc/31/77/84/591317784.db2.gz MXKIFNFDUDGWBG-LDYMZIIASA-N 1 2 205.305 2.694 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCC(F)(F)C2)c1C ZINC000882296395 591327534 /nfs/dbraw/zinc/32/75/34/591327534.db2.gz JQCLKTZRCCBYBY-SNVBAGLBSA-N 1 2 241.285 2.941 20 0 BFADLO C[C@]1(CNc2cc[nH+]cc2F)CC1(Cl)Cl ZINC000882417312 591345533 /nfs/dbraw/zinc/34/55/33/591345533.db2.gz STHHFBJKQRTROH-SECBINFHSA-N 1 2 249.116 2.638 20 0 BFADLO Cc1[nH+]cnc(NCc2ccnc(Cl)c2)c1C ZINC000882463835 591353361 /nfs/dbraw/zinc/35/33/61/591353361.db2.gz HZDYPKUHRZYGKE-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO C[C@@]1(CCNc2cc[nH+]cc2F)C[C@@]1(F)Cl ZINC000882526063 591382661 /nfs/dbraw/zinc/38/26/61/591382661.db2.gz YMMFFSXDLAZNED-MNOVXSKESA-N 1 2 246.688 2.759 20 0 BFADLO Cc1[nH+]cnc(NCCCc2ccco2)c1C ZINC000882634930 591404386 /nfs/dbraw/zinc/40/43/86/591404386.db2.gz ODBOESMVZWBCCM-UHFFFAOYSA-N 1 2 231.299 2.731 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCCC23CC3)c1C ZINC000882677473 591410280 /nfs/dbraw/zinc/41/02/80/591410280.db2.gz SHPIZDYYMWBXAB-LLVKDONJSA-N 1 2 217.316 2.838 20 0 BFADLO CC(C)(CNc1cc(CO)cc[nH+]1)C(C)(F)F ZINC000882695308 591413943 /nfs/dbraw/zinc/41/39/43/591413943.db2.gz IYGBCMXBHPJBFD-UHFFFAOYSA-N 1 2 244.285 2.667 20 0 BFADLO Nc1nc(NC[C@@H]2C=CCC2)[nH+]c2ccccc12 ZINC000882757320 591430321 /nfs/dbraw/zinc/43/03/21/591430321.db2.gz DNZLAMAAPJQVOM-SNVBAGLBSA-N 1 2 240.310 2.590 20 0 BFADLO Cc1cc(NCC(C)(C)CC(F)F)nc[nH+]1 ZINC000882779641 591436325 /nfs/dbraw/zinc/43/63/25/591436325.db2.gz CKAGQOKWDDNMIB-UHFFFAOYSA-N 1 2 229.274 2.878 20 0 BFADLO CO[C@H]1C[C@H](CNc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000882797662 591441087 /nfs/dbraw/zinc/44/10/87/591441087.db2.gz NTNCXYDXGYBSHO-XYPYZODXSA-N 1 2 249.358 2.611 20 0 BFADLO Fc1c[nH+]ccc1NCC[C@H]1CCCC1(F)F ZINC000882799126 591442249 /nfs/dbraw/zinc/44/22/49/591442249.db2.gz QBLYRFKRVBBWAZ-SECBINFHSA-N 1 2 244.260 2.880 20 0 BFADLO C[C@@H](O)c1ccc(N(C)Cc2cccs2)[nH+]c1 ZINC000213231677 591455530 /nfs/dbraw/zinc/45/55/30/591455530.db2.gz LJGWUBTZMVGAPW-SNVBAGLBSA-N 1 2 248.351 2.833 20 0 BFADLO CC[C@@H]1CCCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213236200 591456140 /nfs/dbraw/zinc/45/61/40/591456140.db2.gz MIMQCBASANNOCO-DGCLKSJQSA-N 1 2 234.343 2.904 20 0 BFADLO c1csc([C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000882861830 591456463 /nfs/dbraw/zinc/45/64/63/591456463.db2.gz IYPQECWPQJJYHK-JTQLQIEISA-N 1 2 231.324 2.532 20 0 BFADLO C[C@@H](O)c1ccc(N2CCC[C@H](C)CC2)[nH+]c1 ZINC000213287362 591460013 /nfs/dbraw/zinc/46/00/13/591460013.db2.gz AVCGRCJZORAFLL-NWDGAFQWSA-N 1 2 234.343 2.761 20 0 BFADLO Cc1occc1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000882914015 591474915 /nfs/dbraw/zinc/47/49/15/591474915.db2.gz HCSHBMHFZUOHIE-UHFFFAOYSA-N 1 2 233.315 2.724 20 0 BFADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC000130708345 591503803 /nfs/dbraw/zinc/50/38/03/591503803.db2.gz XJKJCTIUNXGKIO-STUBTGCMSA-N 1 2 245.750 2.545 20 0 BFADLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC000130708345 591503804 /nfs/dbraw/zinc/50/38/04/591503804.db2.gz XJKJCTIUNXGKIO-STUBTGCMSA-N 1 2 245.750 2.545 20 0 BFADLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)cn1 ZINC000883341645 591619967 /nfs/dbraw/zinc/61/99/67/591619967.db2.gz WLXISZZJWOZNAW-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC[C@@H]1C[C@H](Nc2c[nH+]c(C)c(C)c2)CO1 ZINC000883341722 591620306 /nfs/dbraw/zinc/62/03/06/591620306.db2.gz YFIJVUMRFRKAAV-QWHCGFSZSA-N 1 2 220.316 2.678 20 0 BFADLO CCn1ccnc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341972 591620504 /nfs/dbraw/zinc/62/05/04/591620504.db2.gz GIMSNWNKBIGFGU-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1cc(N[C@H](C)c2nccnc2C)c[nH+]c1C ZINC000883342636 591621231 /nfs/dbraw/zinc/62/12/31/591621231.db2.gz GNMBAVVRTPHPCT-GFCCVEGCSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCCO2)c[nH+]c1C ZINC000883342549 591621238 /nfs/dbraw/zinc/62/12/38/591621238.db2.gz CHSXZGZVHDTDRX-YPMHNXCESA-N 1 2 220.316 2.678 20 0 BFADLO COCCC[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342485 591621465 /nfs/dbraw/zinc/62/14/65/591621465.db2.gz ZXTUEFWNWKMKCY-LLVKDONJSA-N 1 2 222.332 2.925 20 0 BFADLO Cc1cc(N[C@H](C)c2ncc[nH]2)c[nH+]c1C ZINC000883342752 591621687 /nfs/dbraw/zinc/62/16/87/591621687.db2.gz KIBBZQIVJNBLFA-SNVBAGLBSA-N 1 2 216.288 2.595 20 0 BFADLO COC(C)(C)[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883343080 591622846 /nfs/dbraw/zinc/62/28/46/591622846.db2.gz ZHODBOTXBRKPIA-NSHDSACASA-N 1 2 222.332 2.924 20 0 BFADLO Cc1cc(N[C@@H]2COC(C)(C)C2)c[nH+]c1C ZINC000883342937 591623928 /nfs/dbraw/zinc/62/39/28/591623928.db2.gz RPLQAZKYFODFFX-LBPRGKRZSA-N 1 2 220.316 2.678 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)C(F)F ZINC000883400079 591646942 /nfs/dbraw/zinc/64/69/42/591646942.db2.gz CWNFHWCEJWCMCA-SVRRBLITSA-N 1 2 246.688 2.966 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)C(F)F)cnc1Cl ZINC000883406971 591649671 /nfs/dbraw/zinc/64/96/71/591649671.db2.gz GZNIAQPXDRLFFK-ZETCQYMHSA-N 1 2 234.677 2.787 20 0 BFADLO CCOc1cc(F)cc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000883407864 591650425 /nfs/dbraw/zinc/65/04/25/591650425.db2.gz HJRCOFGOJTYUPO-QMMMGPOBSA-N 1 2 247.260 2.968 20 0 BFADLO CCOc1cc(F)cc(C[NH2+][C@H](C)C(F)F)c1 ZINC000883407863 591651020 /nfs/dbraw/zinc/65/10/20/591651020.db2.gz HJRCOFGOJTYUPO-MRVPVSSYSA-N 1 2 247.260 2.968 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)C(F)F ZINC000883407765 591651504 /nfs/dbraw/zinc/65/15/04/591651504.db2.gz FGZWSTAJHVIHHW-SECBINFHSA-N 1 2 241.281 2.503 20 0 BFADLO CCc1nc(NCC2(SC)CCC2)cc[nH+]1 ZINC000884490468 591949637 /nfs/dbraw/zinc/94/96/37/591949637.db2.gz XWLYWYLMZNVMHN-UHFFFAOYSA-N 1 2 237.372 2.737 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccsc2)s1 ZINC000135000046 591969046 /nfs/dbraw/zinc/96/90/46/591969046.db2.gz CEKWARLFADMSRO-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO CCc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000884532643 591969737 /nfs/dbraw/zinc/96/97/37/591969737.db2.gz NPHCSRNWVSUNOP-HBNTYKKESA-N 1 2 219.332 2.520 20 0 BFADLO CCc1nc(NC[C@@H](CC(C)C)OC)cc[nH+]1 ZINC000884532707 591969875 /nfs/dbraw/zinc/96/98/75/591969875.db2.gz OUHGOIUWUJUWPX-LLVKDONJSA-N 1 2 237.347 2.512 20 0 BFADLO CCc1nc(NC[C@@H](C)CC(F)F)cc[nH+]1 ZINC000884541412 591972681 /nfs/dbraw/zinc/97/26/81/591972681.db2.gz CVTJOWITGGQAJO-QMMMGPOBSA-N 1 2 229.274 2.742 20 0 BFADLO CCc1nc(NC[C@H]2C(C)(C)C2(F)F)cc[nH+]1 ZINC000884559550 591979082 /nfs/dbraw/zinc/97/90/82/591979082.db2.gz XRAMCXLJNOYUCJ-QMMMGPOBSA-N 1 2 241.285 2.742 20 0 BFADLO CCC[C@H](CNc1cc[nH+]c(CC)n1)OCC ZINC000884563165 591981317 /nfs/dbraw/zinc/98/13/17/591981317.db2.gz XZQGUZXQMKYEKZ-LLVKDONJSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1nc(NCC[C@@H]2CCCS2)cc[nH+]1 ZINC000884571160 591984514 /nfs/dbraw/zinc/98/45/14/591984514.db2.gz IRPXTMANAYNCGV-JTQLQIEISA-N 1 2 237.372 2.737 20 0 BFADLO CCC(CC)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000135332835 592007993 /nfs/dbraw/zinc/00/79/93/592007993.db2.gz NQDCKPCGJXXIRT-UHFFFAOYSA-N 1 2 246.310 2.609 20 0 BFADLO Cc1ccc([N@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000885979948 592119808 /nfs/dbraw/zinc/11/98/08/592119808.db2.gz PWGBDQCLQNFBFB-UKRRQHHQSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000885979948 592119809 /nfs/dbraw/zinc/11/98/09/592119809.db2.gz PWGBDQCLQNFBFB-UKRRQHHQSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1coc(C[NH2+]Cc2ccn(C(C)C)n2)c1 ZINC000885994760 592124981 /nfs/dbraw/zinc/12/49/81/592124981.db2.gz TWQVFOVKQIYWQH-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO Cc1n[nH]c(CNc2ccc([NH+](C)C)cc2)c1C ZINC000886025994 592135983 /nfs/dbraw/zinc/13/59/83/592135983.db2.gz NQWAHZOCZQOZNV-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Cc1[nH]nc(CNc2ccc([NH+](C)C)cc2)c1C ZINC000886025994 592135985 /nfs/dbraw/zinc/13/59/85/592135985.db2.gz NQWAHZOCZQOZNV-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886093973 592147840 /nfs/dbraw/zinc/14/78/40/592147840.db2.gz LDPUIBNIJMWKMC-SDDRHHMPSA-N 1 2 245.313 2.674 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886093973 592147843 /nfs/dbraw/zinc/14/78/43/592147843.db2.gz LDPUIBNIJMWKMC-SDDRHHMPSA-N 1 2 245.313 2.674 20 0 BFADLO FC1=CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886102302 592154010 /nfs/dbraw/zinc/15/40/10/592154010.db2.gz CYCVSWVOEGDZFP-ZDUSSCGKSA-N 1 2 239.334 2.895 20 0 BFADLO FC1=CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886102302 592154013 /nfs/dbraw/zinc/15/40/13/592154013.db2.gz CYCVSWVOEGDZFP-ZDUSSCGKSA-N 1 2 239.334 2.895 20 0 BFADLO CCc1ccc(NCc2n[nH]c(C)c2C)[nH+]c1 ZINC000886188749 592172897 /nfs/dbraw/zinc/17/28/97/592172897.db2.gz ZQGUMBNLKKPFMA-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886266850 592190846 /nfs/dbraw/zinc/19/08/46/592190846.db2.gz AFOJOCPRXJGAAC-RYUDHWBXSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886266850 592190849 /nfs/dbraw/zinc/19/08/49/592190849.db2.gz AFOJOCPRXJGAAC-RYUDHWBXSA-N 1 2 245.313 2.675 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)nc1 ZINC000886270527 592192120 /nfs/dbraw/zinc/19/21/20/592192120.db2.gz GEMVYTXGPOJDAS-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO COc1cc(C[NH2+][C@@H](C)c2ncco2)ccc1C ZINC000886272084 592193205 /nfs/dbraw/zinc/19/32/05/592193205.db2.gz GNHVHRZAWVNSRB-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO CCOc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886275894 592195586 /nfs/dbraw/zinc/19/55/86/592195586.db2.gz PQFSEUHSYIUGMC-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ncco1 ZINC000886275964 592195893 /nfs/dbraw/zinc/19/58/93/592195893.db2.gz SKYXGPJOQRUZJM-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO FC(F)(F)c1csc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886345334 592212919 /nfs/dbraw/zinc/21/29/19/592212919.db2.gz XIAJEAPFXOVTKL-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO FC(F)(F)c1csc(C[N@H+]2C[C@@H]3C[C@@H]3C2)n1 ZINC000886345334 592212921 /nfs/dbraw/zinc/21/29/21/592212921.db2.gz XIAJEAPFXOVTKL-KNVOCYPGSA-N 1 2 248.273 2.614 20 0 BFADLO Clc1cnc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000886347094 592214249 /nfs/dbraw/zinc/21/42/49/592214249.db2.gz YEIRHJOIGVLYKO-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1cnc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000886347094 592214250 /nfs/dbraw/zinc/21/42/50/592214250.db2.gz YEIRHJOIGVLYKO-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000886629799 592282595 /nfs/dbraw/zinc/28/25/95/592282595.db2.gz NVNVHFUAFMHQRR-GUBZILKMSA-N 1 2 239.281 2.875 20 0 BFADLO CC(C)OCC[N@H+](CC(F)F)C1CCC1 ZINC000887097199 592440462 /nfs/dbraw/zinc/44/04/62/592440462.db2.gz JQELWIRFXRBDKE-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[N@@H+](CC(F)F)C1CCC1 ZINC000887097199 592440465 /nfs/dbraw/zinc/44/04/65/592440465.db2.gz JQELWIRFXRBDKE-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CO[C@@H](C[N@H+](CC(F)F)C1CCC1)C1CCC1 ZINC000887102132 592442985 /nfs/dbraw/zinc/44/29/85/592442985.db2.gz DLQVQKTVHLRTAQ-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@@H+](CC(F)F)C1CCC1)C1CCC1 ZINC000887102132 592442989 /nfs/dbraw/zinc/44/29/89/592442989.db2.gz DLQVQKTVHLRTAQ-LBPRGKRZSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+](C)CCCF)n1 ZINC000887137416 592452107 /nfs/dbraw/zinc/45/21/07/592452107.db2.gz HRDVYHXNZXFNJW-VIFPVBQESA-N 1 2 229.299 2.545 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+](C)CCCF)n1 ZINC000887137416 592452109 /nfs/dbraw/zinc/45/21/09/592452109.db2.gz HRDVYHXNZXFNJW-VIFPVBQESA-N 1 2 229.299 2.545 20 0 BFADLO C[N@H+](CCCF)Cc1ncc(Cl)s1 ZINC000887141009 592455974 /nfs/dbraw/zinc/45/59/74/592455974.db2.gz BAZNCBCXZUTJAN-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO C[N@@H+](CCCF)Cc1ncc(Cl)s1 ZINC000887141009 592455978 /nfs/dbraw/zinc/45/59/78/592455978.db2.gz BAZNCBCXZUTJAN-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO COC(C)(C)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000302433702 592547768 /nfs/dbraw/zinc/54/77/68/592547768.db2.gz MULLFOANWKALKV-NSHDSACASA-N 1 2 236.359 2.978 20 0 BFADLO Cc1ccc(NC(=O)N(C)CCCF)c(C)[nH+]1 ZINC000887878705 592556810 /nfs/dbraw/zinc/55/68/10/592556810.db2.gz MQZWCEIUMDOUBI-UHFFFAOYSA-N 1 2 239.294 2.522 20 0 BFADLO CC(C)CCCC[N@H+](CC(F)F)C[C@@H](C)O ZINC001474525829 987747859 /nfs/dbraw/zinc/74/78/59/987747859.db2.gz MQNSFWLLXQMDMA-LLVKDONJSA-N 1 2 237.334 2.761 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(OC)cc1C ZINC000090173057 635538962 /nfs/dbraw/zinc/53/89/62/635538962.db2.gz OLUFWKBPFMDXRW-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO C[N@H+](Cc1c(Cl)n[nH]c1C1CC1)C1CC1 ZINC000891620302 631415325 /nfs/dbraw/zinc/41/53/25/631415325.db2.gz VKQZFMKBZZNQET-UHFFFAOYSA-N 1 2 225.723 2.535 20 0 BFADLO C[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)C1CC1 ZINC000891620302 631415327 /nfs/dbraw/zinc/41/53/27/631415327.db2.gz VKQZFMKBZZNQET-UHFFFAOYSA-N 1 2 225.723 2.535 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(OC)cc1 ZINC000090169845 631525279 /nfs/dbraw/zinc/52/52/79/631525279.db2.gz GVTDTGIOAWTSGC-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO C[C@@H](c1cccc(Cl)c1F)[N@@H+]1CC[C@@H]1CO ZINC000934013545 631595578 /nfs/dbraw/zinc/59/55/78/631595578.db2.gz IDGQYOUYXXSTQX-DTWKUNHWSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@@H](c1cccc(Cl)c1F)[N@H+]1CC[C@@H]1CO ZINC000934013545 631595587 /nfs/dbraw/zinc/59/55/87/631595587.db2.gz IDGQYOUYXXSTQX-DTWKUNHWSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000934015483 631608576 /nfs/dbraw/zinc/60/85/76/631608576.db2.gz ZIDLJDLZQCIQTG-VIFPVBQESA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000934015483 631608578 /nfs/dbraw/zinc/60/85/78/631608578.db2.gz ZIDLJDLZQCIQTG-VIFPVBQESA-N 1 2 246.137 2.560 20 0 BFADLO CC(C)OC(=O)C(C)(C)[NH2+]CCc1ccccc1 ZINC000934816678 632088970 /nfs/dbraw/zinc/08/89/70/632088970.db2.gz LZXJCFHJDCFLFD-UHFFFAOYSA-N 1 2 249.354 2.549 20 0 BFADLO CC(C)=CC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189516320 632603187 /nfs/dbraw/zinc/60/31/87/632603187.db2.gz WROQLQACZAEUED-GFCCVEGCSA-N 1 2 248.374 2.744 20 0 BFADLO CC(C)=CC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189516320 632603191 /nfs/dbraw/zinc/60/31/91/632603191.db2.gz WROQLQACZAEUED-GFCCVEGCSA-N 1 2 248.374 2.744 20 0 BFADLO Cc1cc(N[C@H](C)c2ncc[nH]2)ccc1[NH+](C)C ZINC000286253347 632642239 /nfs/dbraw/zinc/64/22/39/632642239.db2.gz USBYVJAJHMPUPM-LLVKDONJSA-N 1 2 244.342 2.957 20 0 BFADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000310608081 632803146 /nfs/dbraw/zinc/80/31/46/632803146.db2.gz AWHPIAOTGBCYTG-DOMZBBRYSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000924548513 632811857 /nfs/dbraw/zinc/81/18/57/632811857.db2.gz GVQDCRMQLWYCBF-YUMQZZPRSA-N 1 2 237.328 2.851 20 0 BFADLO Fc1cc(Cl)cc(C[NH2+]Cc2ccon2)c1 ZINC000168265898 633139800 /nfs/dbraw/zinc/13/98/00/633139800.db2.gz SOVKGBVQAFJGBS-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CCc1cc(NCCC(F)(F)F)nc(CC)[nH+]1 ZINC000892731533 633204552 /nfs/dbraw/zinc/20/45/52/633204552.db2.gz DHDKXVWZGOXXKZ-UHFFFAOYSA-N 1 2 247.264 2.966 20 0 BFADLO Cc1ncoc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000894755711 635921262 /nfs/dbraw/zinc/92/12/62/635921262.db2.gz BFFHFXFJDOAGON-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO C[C@H](c1nc(C2CCCCC2)no1)[NH+](C)C ZINC000923789887 633229924 /nfs/dbraw/zinc/22/99/24/633229924.db2.gz ZTWVXXADEFGHQM-SECBINFHSA-N 1 2 223.320 2.740 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(C)C2)cc(Cl)n1 ZINC000306255580 635960530 /nfs/dbraw/zinc/96/05/30/635960530.db2.gz MTTKTRZCJDXZSS-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO C[C@H]1CCC[C@@H]1[NH2+]CC(F)(F)Br ZINC000306754028 635975499 /nfs/dbraw/zinc/97/54/99/635975499.db2.gz KBCHVBGQMLIYHT-BQBZGAKWSA-N 1 2 242.107 2.752 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)CCO)C(F)(F)c1ccccc1 ZINC000925101176 636009069 /nfs/dbraw/zinc/00/90/69/636009069.db2.gz JDELKQKMYXJRKR-WDEREUQCSA-N 1 2 243.297 2.527 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(Cl)nc1 ZINC000309814599 634016041 /nfs/dbraw/zinc/01/60/41/634016041.db2.gz VANKDFAIPGTTPC-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000187559143 634111054 /nfs/dbraw/zinc/11/10/54/634111054.db2.gz HUELZOJANNTFEQ-LLVKDONJSA-N 1 2 236.359 2.755 20 0 BFADLO COC[C@H](C)CNc1ccc([NH+](C)C)c(C)c1 ZINC000187559143 634111061 /nfs/dbraw/zinc/11/10/61/634111061.db2.gz HUELZOJANNTFEQ-LLVKDONJSA-N 1 2 236.359 2.755 20 0 BFADLO COc1cc(C)cc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000925599917 634123052 /nfs/dbraw/zinc/12/30/52/634123052.db2.gz BFZLVTZEGXAQAW-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc2c(c1)CCCN2C ZINC000188280589 634138565 /nfs/dbraw/zinc/13/85/65/634138565.db2.gz SORWXLBILIIRFM-GFCCVEGCSA-N 1 2 248.370 2.763 20 0 BFADLO COC[C@H](C)CNc1ccc2c(c1)CCC[N@H+]2C ZINC000188280589 634138571 /nfs/dbraw/zinc/13/85/71/634138571.db2.gz SORWXLBILIIRFM-GFCCVEGCSA-N 1 2 248.370 2.763 20 0 BFADLO COC[C@H](C)CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000188280589 634138576 /nfs/dbraw/zinc/13/85/76/634138576.db2.gz SORWXLBILIIRFM-GFCCVEGCSA-N 1 2 248.370 2.763 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2[nH]nc(C)c2C)o1 ZINC000893897708 635638640 /nfs/dbraw/zinc/63/86/40/635638640.db2.gz SJFHARDPORDLDY-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2[nH]nc(C)c2C)o1 ZINC000893897708 635638644 /nfs/dbraw/zinc/63/86/44/635638644.db2.gz SJFHARDPORDLDY-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ocnc2C)o1 ZINC000893897133 635639343 /nfs/dbraw/zinc/63/93/43/635639343.db2.gz OQBCJRFQFPEPNM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ocnc2C)o1 ZINC000893897133 635639347 /nfs/dbraw/zinc/63/93/47/635639347.db2.gz OQBCJRFQFPEPNM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CCOc1ccccc1C[NH2+]Cc1cscn1 ZINC000067217197 635720484 /nfs/dbraw/zinc/72/04/84/635720484.db2.gz HCEXRRYJYKZFSC-UHFFFAOYSA-N 1 2 248.351 2.832 20 0 BFADLO Cc1nc(NC[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000097635635 636189607 /nfs/dbraw/zinc/18/96/07/636189607.db2.gz INTZAJXBAZDUNR-VIFPVBQESA-N 1 2 207.321 2.879 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(F)(F)C(F)F ZINC000752087067 636554441 /nfs/dbraw/zinc/55/44/41/636554441.db2.gz CDFMBMWGOPAFOU-NKWVEPMBSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1[C@@H](C)CC[N@H+]1CC(F)(F)C(F)F ZINC000752087067 636554446 /nfs/dbraw/zinc/55/44/46/636554446.db2.gz CDFMBMWGOPAFOU-NKWVEPMBSA-N 1 2 213.218 2.617 20 0 BFADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccoc1 ZINC000924749899 637076252 /nfs/dbraw/zinc/07/62/52/637076252.db2.gz QTOCTJSJSUFQQF-LLVKDONJSA-N 1 2 232.283 2.743 20 0 BFADLO COC/C(C)=C\Cn1c[nH+]c(C(C)(C)C)c1 ZINC000901589081 637263793 /nfs/dbraw/zinc/26/37/93/637263793.db2.gz WXFUEVMGFXUOBT-WDZFZDKYSA-N 1 2 222.332 2.773 20 0 BFADLO CC/C(C)=C/c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904267706 637394974 /nfs/dbraw/zinc/39/49/74/637394974.db2.gz HIOKLAAMXJAXKJ-VMPITWQZSA-N 1 2 244.298 2.836 20 0 BFADLO CCC/C=C\c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904265398 637395292 /nfs/dbraw/zinc/39/52/92/637395292.db2.gz JGHCCXCGVRDKRZ-WAYWQWQTSA-N 1 2 244.298 2.836 20 0 BFADLO CC(C)c1[nH+]cc(-c2cccc(O)c2)n1C ZINC000904761733 637461860 /nfs/dbraw/zinc/46/18/60/637461860.db2.gz CGBUCUUQIRWVBF-UHFFFAOYSA-N 1 2 216.284 2.916 20 0 BFADLO COCc1ccccc1-c1cc[nH+]c(N(C)C)c1 ZINC000904849939 637507473 /nfs/dbraw/zinc/50/74/73/637507473.db2.gz SCEMQTVGAVRKPW-UHFFFAOYSA-N 1 2 242.322 2.961 20 0 BFADLO CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000905017060 637548568 /nfs/dbraw/zinc/54/85/68/637548568.db2.gz DEVRKVSXNVKDDR-SECBINFHSA-N 1 2 220.316 2.535 20 0 BFADLO CCn1c[nH+]cc1CNc1cncc(SC)c1 ZINC000905415319 637803446 /nfs/dbraw/zinc/80/34/46/637803446.db2.gz YUPKXFCEWWOWKF-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CC(C)c1ccc(NCc2c[nH+]cn2C)cn1 ZINC000905432767 637814708 /nfs/dbraw/zinc/81/47/08/637814708.db2.gz JRVZLDNQKCAHAF-UHFFFAOYSA-N 1 2 230.315 2.551 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2CCC2)c(C)[nH+]1 ZINC000906091951 638049337 /nfs/dbraw/zinc/04/93/37/638049337.db2.gz BBFLKIJREKNJPO-UHFFFAOYSA-N 1 2 232.327 2.537 20 0 BFADLO C[C@@H]1C[N@H+](Cc2coc(C(C)(C)C)n2)[C@@H]1C ZINC000930582965 639813759 /nfs/dbraw/zinc/81/37/59/639813759.db2.gz SBCLXFCCMMUHKQ-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2coc(C(C)(C)C)n2)[C@@H]1C ZINC000930582965 639813760 /nfs/dbraw/zinc/81/37/60/639813760.db2.gz SBCLXFCCMMUHKQ-NXEZZACHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930582967 639814065 /nfs/dbraw/zinc/81/40/65/639814065.db2.gz SBCLXFCCMMUHKQ-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1coc(C(C)(C)C)n1 ZINC000930582967 639814066 /nfs/dbraw/zinc/81/40/66/639814066.db2.gz SBCLXFCCMMUHKQ-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO CCc1ncc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000930594620 639815716 /nfs/dbraw/zinc/81/57/16/639815716.db2.gz JSNGIZYRVBVYRO-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1ncc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000930594620 639815717 /nfs/dbraw/zinc/81/57/17/639815717.db2.gz JSNGIZYRVBVYRO-GFCCVEGCSA-N 1 2 226.295 2.561 20 0 BFADLO CC(C)c1nsc(C[N@H+](C)C(C)(C)C)n1 ZINC000930825417 639929019 /nfs/dbraw/zinc/92/90/19/639929019.db2.gz NSFLFYRJUIKNRS-UHFFFAOYSA-N 1 2 227.377 2.892 20 0 BFADLO CC(C)c1nsc(C[N@@H+](C)C(C)(C)C)n1 ZINC000930825417 639929025 /nfs/dbraw/zinc/92/90/25/639929025.db2.gz NSFLFYRJUIKNRS-UHFFFAOYSA-N 1 2 227.377 2.892 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CCC2CCCC2)n[nH]1 ZINC000931135699 640071652 /nfs/dbraw/zinc/07/16/52/640071652.db2.gz YWFLBZKOAOGOLH-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CCC2CCCC2)n[nH]1 ZINC000931135699 640071662 /nfs/dbraw/zinc/07/16/62/640071662.db2.gz YWFLBZKOAOGOLH-LBPRGKRZSA-N 1 2 234.347 2.522 20 0 BFADLO CC(C)(C)c1nc(C[NH+]2CCC(F)CC2)co1 ZINC000931686065 640316111 /nfs/dbraw/zinc/31/61/11/640316111.db2.gz JMFDOAAKAAUKAE-UHFFFAOYSA-N 1 2 240.322 2.906 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2C/C=C\Cl)no1 ZINC000913395259 640365900 /nfs/dbraw/zinc/36/59/00/640365900.db2.gz BDUWKZDLPMTKHX-USEMIUTHSA-N 1 2 226.707 2.872 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2C/C=C\Cl)no1 ZINC000913395259 640365909 /nfs/dbraw/zinc/36/59/09/640365909.db2.gz BDUWKZDLPMTKHX-USEMIUTHSA-N 1 2 226.707 2.872 20 0 BFADLO CC[C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932493410 640558649 /nfs/dbraw/zinc/55/86/49/640558649.db2.gz FYBNCQCVHAXIGV-JTQLQIEISA-N 1 2 245.326 2.681 20 0 BFADLO Cc1ccc(OCC[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000167357384 640712673 /nfs/dbraw/zinc/71/26/73/640712673.db2.gz CVZTVSITUBWZNT-AWEZNQCLSA-N 1 2 244.338 2.609 20 0 BFADLO Cc1ccc(OCC[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000167357384 640712678 /nfs/dbraw/zinc/71/26/78/640712678.db2.gz CVZTVSITUBWZNT-AWEZNQCLSA-N 1 2 244.338 2.609 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccoc2)C2CC2)on1 ZINC000934004360 640803454 /nfs/dbraw/zinc/80/34/54/640803454.db2.gz OEAXBBGUWLEMRG-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccoc2)C2CC2)on1 ZINC000934004360 640803457 /nfs/dbraw/zinc/80/34/57/640803457.db2.gz OEAXBBGUWLEMRG-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1nccc(C[N@H+](Cc2ccoc2)C2CC2)n1 ZINC000934004016 640804007 /nfs/dbraw/zinc/80/40/07/640804007.db2.gz MHFMGDSJCSCGML-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nccc(C[N@@H+](Cc2ccoc2)C2CC2)n1 ZINC000934004016 640804010 /nfs/dbraw/zinc/80/40/10/640804010.db2.gz MHFMGDSJCSCGML-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Fc1cc(C[N@H+](Cc2ccoc2)C2CC2)ccn1 ZINC000934003797 640804524 /nfs/dbraw/zinc/80/45/24/640804524.db2.gz KFRFSSFZGWANFR-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cc(C[N@@H+](Cc2ccoc2)C2CC2)ccn1 ZINC000934003797 640804525 /nfs/dbraw/zinc/80/45/25/640804525.db2.gz KFRFSSFZGWANFR-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1ccc(C)cc1 ZINC000170919048 640940284 /nfs/dbraw/zinc/94/02/84/640940284.db2.gz AWYANUIJVJTPFL-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1ccc(C)cc1 ZINC000170919048 640940289 /nfs/dbraw/zinc/94/02/89/640940289.db2.gz AWYANUIJVJTPFL-CQSZACIVSA-N 1 2 247.338 2.775 20 0 BFADLO CCCC1(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000230145504 641031011 /nfs/dbraw/zinc/03/10/11/641031011.db2.gz DVPRJWKMAOXLHZ-NSHDSACASA-N 1 2 241.375 2.887 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C)o2)s1 ZINC000230635685 641076168 /nfs/dbraw/zinc/07/61/68/641076168.db2.gz QMSCKEPERCKNQH-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CCn1ccnc1C[NH2+]Cc1c(C)cccc1F ZINC000742380330 641162903 /nfs/dbraw/zinc/16/29/03/641162903.db2.gz LRYTZLJJGZSXAG-UHFFFAOYSA-N 1 2 247.317 2.640 20 0 BFADLO CC1(C)CC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000173438800 641178415 /nfs/dbraw/zinc/17/84/15/641178415.db2.gz RHTANSDUYMSEIB-UHFFFAOYSA-N 1 2 247.264 2.591 20 0 BFADLO CC1(C)CC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000173438800 641178422 /nfs/dbraw/zinc/17/84/22/641178422.db2.gz RHTANSDUYMSEIB-UHFFFAOYSA-N 1 2 247.264 2.591 20 0 BFADLO Cc1cccc(Cc2noc([C@H](C)[NH+](C)C)n2)c1 ZINC000350597606 641369875 /nfs/dbraw/zinc/36/98/75/641369875.db2.gz ONFGFTKEBJICAJ-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO C[C@@]1(C(=O)Nc2ccn3cc[nH+]c3c2)C=CCC1 ZINC000935759622 641476493 /nfs/dbraw/zinc/47/64/93/641476493.db2.gz NGPRBBVWHWZCQX-CQSZACIVSA-N 1 2 241.294 2.629 20 0 BFADLO CCCCCC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152651339 641625208 /nfs/dbraw/zinc/62/52/08/641625208.db2.gz LIZZEDONYXBLOM-UHFFFAOYSA-N 1 2 249.358 2.975 20 0 BFADLO CC(C)CC1CC[NH+](Cc2nncs2)CC1 ZINC000929833694 641726875 /nfs/dbraw/zinc/72/68/75/641726875.db2.gz GIZWXOPWVIGNBL-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)s1 ZINC000915209265 641810041 /nfs/dbraw/zinc/81/00/41/641810041.db2.gz LQGDTBDSZOCZDG-MRVPVSSYSA-N 1 2 245.417 2.916 20 0 BFADLO Cc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)s1 ZINC000915209265 641810045 /nfs/dbraw/zinc/81/00/45/641810045.db2.gz LQGDTBDSZOCZDG-MRVPVSSYSA-N 1 2 245.417 2.916 20 0 BFADLO CC(C)[N@H+](CC1CC1)Cn1ncsc1=S ZINC000915209499 641810260 /nfs/dbraw/zinc/81/02/60/641810260.db2.gz YWEYPOFFIWIERO-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO CC(C)[N@@H+](CC1CC1)Cn1ncsc1=S ZINC000915209499 641810263 /nfs/dbraw/zinc/81/02/63/641810263.db2.gz YWEYPOFFIWIERO-UHFFFAOYSA-N 1 2 243.401 2.752 20 0 BFADLO O[C@@H](CNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000917063515 641998883 /nfs/dbraw/zinc/99/88/83/641998883.db2.gz SNMHPQPSOMEMLG-LBPRGKRZSA-N 1 2 248.713 2.881 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1CCOC1CC1 ZINC000919157546 642302726 /nfs/dbraw/zinc/30/27/26/642302726.db2.gz XCASXWDPILLXFV-UHFFFAOYSA-N 1 2 242.322 2.653 20 0 BFADLO CSCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919152021 642304991 /nfs/dbraw/zinc/30/49/91/642304991.db2.gz XHFARBNNORZXAN-UHFFFAOYSA-N 1 2 218.325 2.794 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)C[C@@H](C)OC ZINC000308209191 642504936 /nfs/dbraw/zinc/50/49/36/642504936.db2.gz FJKVXHXIKVPJJL-CBVZUMJXSA-N 1 2 226.147 2.662 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)C[C@@H](C)OC ZINC000308209191 642504941 /nfs/dbraw/zinc/50/49/41/642504941.db2.gz FJKVXHXIKVPJJL-CBVZUMJXSA-N 1 2 226.147 2.662 20 0 BFADLO c1cc(C[NH2+]Cc2cnc3ccccc3c2)no1 ZINC000305134660 642643635 /nfs/dbraw/zinc/64/36/35/642643635.db2.gz WAPRHKZOBZNAJL-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO Cc1ccc(C[N@@H+](C)CC(=O)OCC(C)C)cc1 ZINC000181426683 642870004 /nfs/dbraw/zinc/87/00/04/642870004.db2.gz OZBFXKPWWZHRCQ-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO Cc1ccc(C[N@H+](C)CC(=O)OCC(C)C)cc1 ZINC000181426683 642870009 /nfs/dbraw/zinc/87/00/09/642870009.db2.gz OZBFXKPWWZHRCQ-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO C[NH+](C)[C@H](C(=O)OCC1CCC1)c1ccccc1 ZINC000181984727 642936284 /nfs/dbraw/zinc/93/62/84/642936284.db2.gz LAXBFCMUMHBIRF-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO C[NH+](C)[C@@H](C(=O)OCC1CCC1)c1ccccc1 ZINC000181984750 642936296 /nfs/dbraw/zinc/93/62/96/642936296.db2.gz LAXBFCMUMHBIRF-CQSZACIVSA-N 1 2 247.338 2.633 20 0 BFADLO C[C@@H]1CCC[C@@H]1[NH2+]CC(F)(F)Br ZINC000306754387 643232682 /nfs/dbraw/zinc/23/26/82/643232682.db2.gz KBCHVBGQMLIYHT-RQJHMYQMSA-N 1 2 242.107 2.752 20 0 BFADLO Cc1c(Cl)cnn1C[N@@H+]1CCCC2(CC2)C1 ZINC000184871465 643247359 /nfs/dbraw/zinc/24/73/59/643247359.db2.gz RZZDBEXUMVWZDU-UHFFFAOYSA-N 1 2 239.750 2.678 20 0 BFADLO Cc1c(Cl)cnn1C[N@H+]1CCCC2(CC2)C1 ZINC000184871465 643247361 /nfs/dbraw/zinc/24/73/61/643247361.db2.gz RZZDBEXUMVWZDU-UHFFFAOYSA-N 1 2 239.750 2.678 20 0 BFADLO CNc1cc(N[C@@H](C)CCc2ccco2)[nH+]cn1 ZINC000131229244 643403032 /nfs/dbraw/zinc/40/30/32/643403032.db2.gz AIYJCXRXGVGARW-JTQLQIEISA-N 1 2 246.314 2.545 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000082523707 643512362 /nfs/dbraw/zinc/51/23/62/643512362.db2.gz OHUQFZVEKCFAJL-SECBINFHSA-N 1 2 208.305 2.735 20 0 BFADLO C[C@@H]1C(=O)CCC[N@H+]1C[C@H]1CCCCC1(F)F ZINC000932843845 643521148 /nfs/dbraw/zinc/52/11/48/643521148.db2.gz ADLPACLINSVPKT-GHMZBOCLSA-N 1 2 245.313 2.865 20 0 BFADLO C[C@@H]1C(=O)CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000932843845 643521155 /nfs/dbraw/zinc/52/11/55/643521155.db2.gz ADLPACLINSVPKT-GHMZBOCLSA-N 1 2 245.313 2.865 20 0 BFADLO CCc1[nH]nc(Cl)c1CNc1cccc[nH+]1 ZINC000921561146 643611446 /nfs/dbraw/zinc/61/14/46/643611446.db2.gz CUKMCRJYQLPWQA-UHFFFAOYSA-N 1 2 236.706 2.633 20 0 BFADLO Cc1cc(NC(=O)CSC(C)(C)C)cc[nH+]1 ZINC000073557340 643682345 /nfs/dbraw/zinc/68/23/45/643682345.db2.gz VABNYDNDAUVLAK-UHFFFAOYSA-N 1 2 238.356 2.860 20 0 BFADLO C=C(Cl)C[N@H+](C)CCOc1ccccc1F ZINC000053421170 643689214 /nfs/dbraw/zinc/68/92/14/643689214.db2.gz OUUDYWABSVDNQW-UHFFFAOYSA-N 1 2 243.709 2.889 20 0 BFADLO C=C(Cl)C[N@@H+](C)CCOc1ccccc1F ZINC000053421170 643689218 /nfs/dbraw/zinc/68/92/18/643689218.db2.gz OUUDYWABSVDNQW-UHFFFAOYSA-N 1 2 243.709 2.889 20 0 BFADLO C[C@H]1CC[C@H](CC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922524452 644013054 /nfs/dbraw/zinc/01/30/54/644013054.db2.gz KRJIPQQKCYUJJF-QWRGUYRKSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CC[C@@H](CC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922525182 644013920 /nfs/dbraw/zinc/01/39/20/644013920.db2.gz PHHJUHXKMKGLMJ-WDEREUQCSA-N 1 2 248.326 2.533 20 0 BFADLO c1csc(C[NH2+][C@@H](c2ccccn2)C2CC2)n1 ZINC000922585359 644036445 /nfs/dbraw/zinc/03/64/45/644036445.db2.gz FJSFYGAKGHHSAN-CYBMUJFWSA-N 1 2 245.351 2.779 20 0 BFADLO Cc1cnc(C[NH2+]C(C)(C)/C=C/Cl)o1 ZINC000922643729 644049795 /nfs/dbraw/zinc/04/97/95/644049795.db2.gz BIMFVAJHKUFNOV-SNAWJCMRSA-N 1 2 214.696 2.604 20 0 BFADLO CC1(CC(=O)OCc2ccc[nH+]c2N)CCCC1 ZINC000922736115 644078267 /nfs/dbraw/zinc/07/82/67/644078267.db2.gz DMKLIXQZBSEASD-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922772612 644092019 /nfs/dbraw/zinc/09/20/19/644092019.db2.gz FIMHSHCJFJZAHH-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922810184 644099843 /nfs/dbraw/zinc/09/98/43/644099843.db2.gz IWGWOTIUGQQBAO-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)c1cn(C[N@H+](C)C2CC2)c(=S)n1C ZINC000083105860 644399657 /nfs/dbraw/zinc/39/96/57/644399657.db2.gz ORXOSYPERQWTEQ-UHFFFAOYSA-N 1 2 239.388 2.731 20 0 BFADLO CC(C)c1cn(C[N@@H+](C)C2CC2)c(=S)n1C ZINC000083105860 644399661 /nfs/dbraw/zinc/39/96/61/644399661.db2.gz ORXOSYPERQWTEQ-UHFFFAOYSA-N 1 2 239.388 2.731 20 0 BFADLO Fc1ccc2c(c1)CC[N@@H+](C/C=C/Cl)C2 ZINC000091890597 644641713 /nfs/dbraw/zinc/64/17/13/644641713.db2.gz GLXOZKAKBIHHHK-ORCRQEGFSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1ccc2c(c1)CC[N@H+](C/C=C/Cl)C2 ZINC000091890597 644641718 /nfs/dbraw/zinc/64/17/18/644641718.db2.gz GLXOZKAKBIHHHK-ORCRQEGFSA-N 1 2 225.694 2.936 20 0 BFADLO C=C(C)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000092894559 644672820 /nfs/dbraw/zinc/67/28/20/644672820.db2.gz SSLQCPNNBDOKEN-UHFFFAOYSA-N 1 2 238.718 2.747 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000783278126 644752615 /nfs/dbraw/zinc/75/26/15/644752615.db2.gz UIEZQZYDZLJBCK-DGCLKSJQSA-N 1 2 231.343 2.892 20 0 BFADLO CC[NH2+]Cc1noc(C[C@H]2CCCC[C@H]2C)n1 ZINC000843145266 644865553 /nfs/dbraw/zinc/86/55/53/644865553.db2.gz HOLXOEPZEBSTNO-GHMZBOCLSA-N 1 2 237.347 2.548 20 0 BFADLO CC(C(=O)NCc1cc(C)[nH+]c(C)c1)=C1CCC1 ZINC000817458368 644983827 /nfs/dbraw/zinc/98/38/27/644983827.db2.gz FEFNZYNXFUOXFY-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccccc2)co1 ZINC000825050784 645060843 /nfs/dbraw/zinc/06/08/43/645060843.db2.gz SEQCZALOAOGUSL-UHFFFAOYSA-N 1 2 216.284 2.527 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccsc2)co1 ZINC000825050477 645060917 /nfs/dbraw/zinc/06/09/17/645060917.db2.gz NTNCSCUDFLVJQH-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO C[C@@H](CC(=O)O[C@H]1CCC12CCC2)n1cc[nH+]c1 ZINC000845608164 645370731 /nfs/dbraw/zinc/37/07/31/645370731.db2.gz KMFMHOFDOOMXKQ-RYUDHWBXSA-N 1 2 248.326 2.710 20 0 BFADLO Cc1cc(N[C@@H]2[C@@H](C)COC[C@H]2C)c[nH+]c1C ZINC000926856357 645456775 /nfs/dbraw/zinc/45/67/75/645456775.db2.gz SSPWNAANPIJDHF-YABSGUDNSA-N 1 2 234.343 2.781 20 0 BFADLO Cc1cc(N[C@@H](C)C(C)(C)CO)c[nH+]c1C ZINC000926856874 645457256 /nfs/dbraw/zinc/45/72/56/645457256.db2.gz ZRNMQWFUDDAZAN-NSHDSACASA-N 1 2 222.332 2.517 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)C(F)F ZINC000926865516 645463136 /nfs/dbraw/zinc/46/31/36/645463136.db2.gz LNKLGYGZBMPYBF-WDSKDSINSA-N 1 2 242.107 2.546 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)C(F)F ZINC000926865514 645463451 /nfs/dbraw/zinc/46/34/51/645463451.db2.gz LNKLGYGZBMPYBF-PHDIDXHHSA-N 1 2 242.107 2.546 20 0 BFADLO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1ncccn1 ZINC000929122359 645956209 /nfs/dbraw/zinc/95/62/09/645956209.db2.gz QZALJUYXVNBCPH-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccccc1C[N@H+](C)[C@@H](C)c1ncccn1 ZINC000929122359 645956213 /nfs/dbraw/zinc/95/62/13/645956213.db2.gz QZALJUYXVNBCPH-ZDUSSCGKSA-N 1 2 241.338 2.978 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CCc2ccccc2C1 ZINC000929127008 645958014 /nfs/dbraw/zinc/95/80/14/645958014.db2.gz YITNRMNJGTWZME-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CCc2ccccc2C1 ZINC000929127008 645958018 /nfs/dbraw/zinc/95/80/18/645958018.db2.gz YITNRMNJGTWZME-LBPRGKRZSA-N 1 2 239.322 2.596 20 0 BFADLO CCC[N@H+](Cc1nncs1)Cc1ccccc1 ZINC000929126486 645959232 /nfs/dbraw/zinc/95/92/32/645959232.db2.gz PMMFYVYGTUWNHM-UHFFFAOYSA-N 1 2 247.367 2.950 20 0 BFADLO CCC[N@@H+](Cc1nncs1)Cc1ccccc1 ZINC000929126486 645959244 /nfs/dbraw/zinc/95/92/44/645959244.db2.gz PMMFYVYGTUWNHM-UHFFFAOYSA-N 1 2 247.367 2.950 20 0 BFADLO C[C@H](c1ncccn1)[N@H+](C)Cc1ccc(F)cc1 ZINC000929135612 645964059 /nfs/dbraw/zinc/96/40/59/645964059.db2.gz GDCWAEPVAAOTKN-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000929135612 645964066 /nfs/dbraw/zinc/96/40/66/645964066.db2.gz GDCWAEPVAAOTKN-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO CCC1(c2noc([C@@H](C)[NH+](C)C)n2)CCCC1 ZINC000924041606 645972292 /nfs/dbraw/zinc/97/22/92/645972292.db2.gz QOKBYHDAOGHMHH-SNVBAGLBSA-N 1 2 237.347 2.914 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ncccn2)cc1 ZINC000929207190 646003858 /nfs/dbraw/zinc/00/38/58/646003858.db2.gz INGCGGGTHKOJHV-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ncccn2)cc1 ZINC000929207190 646003860 /nfs/dbraw/zinc/00/38/60/646003860.db2.gz INGCGGGTHKOJHV-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO C[C@@H]([NH2+]C1CC1)C(F)(F)c1ccccc1 ZINC000924531281 646050319 /nfs/dbraw/zinc/05/03/19/646050319.db2.gz LVXQVRDOVXEFMB-SECBINFHSA-N 1 2 211.255 2.919 20 0 BFADLO CC(C)c1nsc(C[N@H+](C)CC2CC2)n1 ZINC000929289420 646064526 /nfs/dbraw/zinc/06/45/26/646064526.db2.gz BLXBUWKEVIYXEH-UHFFFAOYSA-N 1 2 225.361 2.503 20 0 BFADLO CC(C)c1nsc(C[N@@H+](C)CC2CC2)n1 ZINC000929289420 646064531 /nfs/dbraw/zinc/06/45/31/646064531.db2.gz BLXBUWKEVIYXEH-UHFFFAOYSA-N 1 2 225.361 2.503 20 0 BFADLO CCC[N@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929517095 646167845 /nfs/dbraw/zinc/16/78/45/646167845.db2.gz SCXWSMGPLUODLC-UHFFFAOYSA-N 1 2 226.270 2.734 20 0 BFADLO CCC[N@@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929517095 646167850 /nfs/dbraw/zinc/16/78/50/646167850.db2.gz SCXWSMGPLUODLC-UHFFFAOYSA-N 1 2 226.270 2.734 20 0 BFADLO CC[C@H](C)[C@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000929583581 646186218 /nfs/dbraw/zinc/18/62/18/646186218.db2.gz LFZBKOKMNCYLFF-SMDDNHRTSA-N 1 2 247.338 2.590 20 0 BFADLO CCc1ncc(C[NH+]2Cc3ccccc3C2)o1 ZINC000929587711 646187812 /nfs/dbraw/zinc/18/78/12/646187812.db2.gz RXZWWYDYFWLJPO-UHFFFAOYSA-N 1 2 228.295 2.753 20 0 BFADLO COC[C@@H](C[N@@H+](CC(F)F)C1CC1)C(C)C ZINC000929597773 646190452 /nfs/dbraw/zinc/19/04/52/646190452.db2.gz LXZKXSIYWWQCSP-SNVBAGLBSA-N 1 2 235.318 2.635 20 0 BFADLO COC[C@@H](C[N@H+](CC(F)F)C1CC1)C(C)C ZINC000929597773 646190446 /nfs/dbraw/zinc/19/04/46/646190446.db2.gz LXZKXSIYWWQCSP-SNVBAGLBSA-N 1 2 235.318 2.635 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1ccccc1CF ZINC000929626069 646209674 /nfs/dbraw/zinc/20/96/74/646209674.db2.gz XDIBVUZMURSEGS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1CF ZINC000929626069 646209679 /nfs/dbraw/zinc/20/96/79/646209679.db2.gz XDIBVUZMURSEGS-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO COC/C(C)=C\C[N@H+](CC(F)F)CC1CCC1 ZINC000930132253 646452947 /nfs/dbraw/zinc/45/29/47/646452947.db2.gz VHTQCIQDXWYNGA-WDZFZDKYSA-N 1 2 247.329 2.946 20 0 BFADLO COC/C(C)=C\C[N@@H+](CC(F)F)CC1CCC1 ZINC000930132253 646452951 /nfs/dbraw/zinc/45/29/51/646452951.db2.gz VHTQCIQDXWYNGA-WDZFZDKYSA-N 1 2 247.329 2.946 20 0 BFADLO CCCCC1([NH2+][C@@H](C)c2noc(C)n2)CC1 ZINC000934203580 711575277 /nfs/dbraw/zinc/57/52/77/711575277.db2.gz RWPQOIRVFZEIBV-VIFPVBQESA-N 1 2 223.320 2.751 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC000931429616 711712795 /nfs/dbraw/zinc/71/27/95/711712795.db2.gz XJKHPVCHLCEDOZ-JTQLQIEISA-N 1 2 215.287 2.906 20 0 BFADLO FC(F)[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC000931429616 711712797 /nfs/dbraw/zinc/71/27/97/711712797.db2.gz XJKHPVCHLCEDOZ-JTQLQIEISA-N 1 2 215.287 2.906 20 0 BFADLO c1ccc(NCC[C@H]2CCCS2)[nH+]c1 ZINC000715621147 712528077 /nfs/dbraw/zinc/52/80/77/712528077.db2.gz LXRUGTKWWQWFKT-SNVBAGLBSA-N 1 2 208.330 2.779 20 0 BFADLO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)C(F)F ZINC000720733359 712862675 /nfs/dbraw/zinc/86/26/75/712862675.db2.gz AOBAYBGITAEJIZ-BDAKNGLRSA-N 1 2 241.281 2.753 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cnsn2)cc1 ZINC000399865908 710912506 /nfs/dbraw/zinc/91/25/06/710912506.db2.gz ZNAXSBXOBRVLFS-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCO1 ZINC000383321605 710980569 /nfs/dbraw/zinc/98/05/69/710980569.db2.gz SLYVTXBKXUEFBG-BXUZGUMPSA-N 1 2 234.343 2.732 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C(F)F ZINC000389928230 711098657 /nfs/dbraw/zinc/09/86/57/711098657.db2.gz XYZQORUTJZEAFA-SECBINFHSA-N 1 2 243.297 2.657 20 0 BFADLO Cc1cc(CNc2ccc([NH+](C)C)cc2C)on1 ZINC000386496966 711030643 /nfs/dbraw/zinc/03/06/43/711030643.db2.gz YLVPMBIAAIADDI-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)CCO2 ZINC000389972472 711102307 /nfs/dbraw/zinc/10/23/07/711102307.db2.gz XGMLXYXFKXUDMJ-IUCAKERBSA-N 1 2 241.281 2.926 20 0 BFADLO Cc1nc(C)c(CNc2ccc([NH+](C)C)cc2)o1 ZINC000723638701 711529069 /nfs/dbraw/zinc/52/90/69/711529069.db2.gz ALZLBPJTUOOMQJ-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1cc(NC2CSC2)ccc1[NH+](C)C ZINC000308945032 711651884 /nfs/dbraw/zinc/65/18/84/711651884.db2.gz NLFBCGLAIYXYGX-UHFFFAOYSA-N 1 2 222.357 2.588 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CC2CCCCCC2)n[nH]1 ZINC000931141253 711708184 /nfs/dbraw/zinc/70/81/84/711708184.db2.gz SHGFCXKRXLFUFG-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CC2CCCCCC2)n[nH]1 ZINC000931141253 711708185 /nfs/dbraw/zinc/70/81/85/711708185.db2.gz SHGFCXKRXLFUFG-ZDUSSCGKSA-N 1 2 248.374 2.912 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893407055 711716071 /nfs/dbraw/zinc/71/60/71/711716071.db2.gz FAQPBADPRUPRRW-WDEREUQCSA-N 1 2 249.358 2.888 20 0 BFADLO CC1(C)CCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922620246 711974526 /nfs/dbraw/zinc/97/45/26/711974526.db2.gz NZVNRCLITAGHMD-NSHDSACASA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cnc(CNc2ccc([NH+](C)C)cc2)o1 ZINC000700368035 711990307 /nfs/dbraw/zinc/99/03/07/711990307.db2.gz CVLCPZJAEQAIIH-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CN(C)c1ccc([NH2+]C2CCC(C)(O)CC2)cc1 ZINC000702984804 712062541 /nfs/dbraw/zinc/06/25/41/712062541.db2.gz MMBVVUDAPORGGV-UHFFFAOYSA-N 1 2 248.370 2.858 20 0 BFADLO C[NH+](C)c1ccc(NC2CCC(C)(O)CC2)cc1 ZINC000702984804 712062543 /nfs/dbraw/zinc/06/25/43/712062543.db2.gz MMBVVUDAPORGGV-UHFFFAOYSA-N 1 2 248.370 2.858 20 0 BFADLO COc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1F ZINC000708961338 712204019 /nfs/dbraw/zinc/20/40/19/712204019.db2.gz LKNKORMPQQNVRJ-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO C[C@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1F ZINC000379176427 712371039 /nfs/dbraw/zinc/37/10/39/712371039.db2.gz QSAFVAVACZWTHX-GWCFXTLKSA-N 1 2 245.301 2.818 20 0 BFADLO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccccn1 ZINC000036777468 712494759 /nfs/dbraw/zinc/49/47/59/712494759.db2.gz XHPHSXCOWTVEQB-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccn1 ZINC000036777468 712494760 /nfs/dbraw/zinc/49/47/60/712494760.db2.gz XHPHSXCOWTVEQB-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO Cc1nc(NC[C@H]2CCC3(CCC3)CO2)cc[nH+]1 ZINC000716540595 712567140 /nfs/dbraw/zinc/56/71/40/712567140.db2.gz CWJILGXABDXSCP-GFCCVEGCSA-N 1 2 247.342 2.546 20 0 BFADLO [NH3+][C@@H](c1nc(C2CCCC2)no1)c1ccccc1 ZINC000037756524 712754996 /nfs/dbraw/zinc/75/49/96/712754996.db2.gz NLMOXKAGJNXMPT-GFCCVEGCSA-N 1 2 243.310 2.775 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NC[C@H]1C[C@H](O)C1 ZINC000720913945 712877716 /nfs/dbraw/zinc/87/77/16/712877716.db2.gz GWNRIIZSXLRWML-AULYBMBSSA-N 1 2 242.322 2.726 20 0 BFADLO Cc1nc(NCC2(C)CC(F)(F)C2)cc[nH+]1 ZINC000720977276 712884975 /nfs/dbraw/zinc/88/49/75/712884975.db2.gz OFQKQBANTWNIQR-UHFFFAOYSA-N 1 2 227.258 2.632 20 0 BFADLO CC1(C[N@@H+]2CC(F)(F)C[C@H]2CO)CCCCC1 ZINC001208897799 957220092 /nfs/dbraw/zinc/22/00/92/957220092.db2.gz JFTAKRJTEKDXQR-NSHDSACASA-N 1 2 247.329 2.659 20 0 BFADLO CC1(C[N@H+]2CC(F)(F)C[C@H]2CO)CCCCC1 ZINC001208897799 957220106 /nfs/dbraw/zinc/22/01/06/957220106.db2.gz JFTAKRJTEKDXQR-NSHDSACASA-N 1 2 247.329 2.659 20 0 BFADLO Clc1cc(C[NH+]2CC3(CSC3)C2)cs1 ZINC001142780556 961726645 /nfs/dbraw/zinc/72/66/45/961726645.db2.gz ZAPXTAPFCSHETM-UHFFFAOYSA-N 1 2 245.800 2.950 20 0 BFADLO [NH2+]=CNc1ccc2cc(Cl)ccc2n1 ZINC001157073623 963521789 /nfs/dbraw/zinc/52/17/89/963521789.db2.gz VUASEEGNQQFQAY-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CSc1cc[nH+]c(NC(C)(C)CC(C)=O)c1 ZINC001160300601 964281774 /nfs/dbraw/zinc/28/17/74/964281774.db2.gz IQXITSVGUWMLHH-UHFFFAOYSA-N 1 2 238.356 2.973 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ncnc2occc21 ZINC001162657735 965093364 /nfs/dbraw/zinc/09/33/64/965093364.db2.gz PIGXGUQOFGNAQL-UHFFFAOYSA-N 1 2 218.260 2.658 20 0 BFADLO Fc1ncc(Cl)cc1C[NH+]1CCCCC1 ZINC001231991649 965295181 /nfs/dbraw/zinc/29/51/81/965295181.db2.gz GRLVXJBZOUDNLV-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nccnc2C)c1 ZINC001203654413 966718447 /nfs/dbraw/zinc/71/84/47/966718447.db2.gz JIGUTNUIBMXSBM-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CCn1nccc1Nc1cc(C)c[nH+]c1C ZINC001203652912 966719541 /nfs/dbraw/zinc/71/95/41/966719541.db2.gz GDPSGHUENIMSFH-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO Fc1ccc(C[NH+]2CC=CC2)c(Cl)c1 ZINC001204435760 966998169 /nfs/dbraw/zinc/99/81/69/966998169.db2.gz UWVMYKYZSZVWLU-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO CC1(F)CC[NH+](Cc2ncc(F)cc2F)CC1 ZINC001207093482 968626091 /nfs/dbraw/zinc/62/60/91/968626091.db2.gz NYCAOZCVXDTDAT-UHFFFAOYSA-N 1 2 244.260 2.684 20 0 BFADLO CC(C)n1nccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001207170248 968677548 /nfs/dbraw/zinc/67/75/48/968677548.db2.gz SZQUVAOYXVZSNB-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO CC(C)n1nccc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001207170248 968677552 /nfs/dbraw/zinc/67/75/52/968677552.db2.gz SZQUVAOYXVZSNB-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO O=C1CCC[N@@H+](CCC2CCCCC2)C[C@H]1F ZINC001207254955 968696515 /nfs/dbraw/zinc/69/65/15/968696515.db2.gz QSBLZNCIZXPAMV-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1CCC[N@H+](CCC2CCCCC2)C[C@H]1F ZINC001207254955 968696524 /nfs/dbraw/zinc/69/65/24/968696524.db2.gz QSBLZNCIZXPAMV-CYBMUJFWSA-N 1 2 241.350 2.960 20 0 BFADLO CC/C=C\CCC[N@H+]1Cc2cncnc2C1 ZINC001208132936 969027649 /nfs/dbraw/zinc/02/76/49/969027649.db2.gz YKRZYASXFQLGMD-ARJAWSKDSA-N 1 2 217.316 2.539 20 0 BFADLO C[C@H](CC(F)(F)F)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001255654193 970434243 /nfs/dbraw/zinc/43/42/43/970434243.db2.gz ANSKLEOHXFLVIL-MRVPVSSYSA-N 1 2 237.265 2.628 20 0 BFADLO C[C@H](CC(F)(F)F)[N@H+]1CCC(=O)C(C)(C)C1 ZINC001255654193 970434250 /nfs/dbraw/zinc/43/42/50/970434250.db2.gz ANSKLEOHXFLVIL-MRVPVSSYSA-N 1 2 237.265 2.628 20 0 BFADLO CCCCOC1C[NH+]([C@H](C)CC(F)(F)F)C1 ZINC001255656959 970440485 /nfs/dbraw/zinc/44/04/85/970440485.db2.gz DHEPEBZKCRCYNT-SECBINFHSA-N 1 2 239.281 2.828 20 0 BFADLO Cc1ccc(C[C@H](C)[NH+]2CC(C)(F)C2)cc1 ZINC001255788022 970491145 /nfs/dbraw/zinc/49/11/45/970491145.db2.gz QQMOXRNPLCQWAF-LBPRGKRZSA-N 1 2 221.319 2.970 20 0 BFADLO CCCSC[C@@H](C)[NH2+][C@H](C)c1noc(C)n1 ZINC001335060510 976829499 /nfs/dbraw/zinc/82/94/99/976829499.db2.gz AOAFZJMRPLSFDS-RKDXNWHRSA-N 1 2 243.376 2.560 20 0 BFADLO CC1(C)C[NH+](Cc2ncccc2Cl)C1 ZINC001231958192 977810872 /nfs/dbraw/zinc/81/08/72/977810872.db2.gz OVTDMUKBNCOCKL-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C(=O)OC(C)(C)C ZINC001336826061 977978303 /nfs/dbraw/zinc/97/83/03/977978303.db2.gz OHOGKOBHYJFNJN-GARJFASQSA-N 1 2 245.338 2.587 20 0 BFADLO Cc1cc(C[NH+]2CCSCC2)c(F)cc1F ZINC001232785370 978275850 /nfs/dbraw/zinc/27/58/50/978275850.db2.gz SSHCXCQZIFHAOT-UHFFFAOYSA-N 1 2 243.322 2.822 20 0 BFADLO CCCn1cnc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001232793658 978278589 /nfs/dbraw/zinc/27/85/89/978278589.db2.gz DDVQVZIUAMTPOT-GFCCVEGCSA-N 1 2 239.338 2.617 20 0 BFADLO CCCn1cnc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001232793658 978278600 /nfs/dbraw/zinc/27/86/00/978278600.db2.gz DDVQVZIUAMTPOT-GFCCVEGCSA-N 1 2 239.338 2.617 20 0 BFADLO Cc1cnsc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001233319015 978555753 /nfs/dbraw/zinc/55/57/53/978555753.db2.gz ZCXKRSYWXZEWDA-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cnsc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001233319015 978555764 /nfs/dbraw/zinc/55/57/64/978555764.db2.gz ZCXKRSYWXZEWDA-GHMZBOCLSA-N 1 2 246.326 2.724 20 0 BFADLO CC(C)C[N@H+](C)Cc1c(Cl)ncnc1Cl ZINC001233407246 978597484 /nfs/dbraw/zinc/59/74/84/978597484.db2.gz XJOHELAOMHTFHG-UHFFFAOYSA-N 1 2 248.157 2.871 20 0 BFADLO CC(C)C[N@@H+](C)Cc1c(Cl)ncnc1Cl ZINC001233407246 978597491 /nfs/dbraw/zinc/59/74/91/978597491.db2.gz XJOHELAOMHTFHG-UHFFFAOYSA-N 1 2 248.157 2.871 20 0 BFADLO Cc1cnc(F)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)c1 ZINC001235326769 979022612 /nfs/dbraw/zinc/02/26/12/979022612.db2.gz BWBMCYDQTNXTFB-JQWIXIFHSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1cnc(F)c(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1 ZINC001235326769 979022615 /nfs/dbraw/zinc/02/26/15/979022615.db2.gz BWBMCYDQTNXTFB-JQWIXIFHSA-N 1 2 240.297 2.709 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(O)cc(Cl)c1 ZINC001235904134 979197585 /nfs/dbraw/zinc/19/75/85/979197585.db2.gz PAOVVSFODFDSOY-BVOBWIRXSA-N 1 2 209.676 2.921 20 0 BFADLO COc1ccoc1C[N@H+](C)Cc1ccsc1 ZINC001237875791 980109021 /nfs/dbraw/zinc/10/90/21/980109021.db2.gz ZHPLTPNLVGFKKN-UHFFFAOYSA-N 1 2 237.324 2.982 20 0 BFADLO COc1ccoc1C[N@@H+](C)Cc1ccsc1 ZINC001237875791 980109026 /nfs/dbraw/zinc/10/90/26/980109026.db2.gz ZHPLTPNLVGFKKN-UHFFFAOYSA-N 1 2 237.324 2.982 20 0 BFADLO CC[NH+](CC)Cc1c(F)ccnc1Cl ZINC001238226694 980230890 /nfs/dbraw/zinc/23/08/90/980230890.db2.gz ZOEXTAFGZMGKMI-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CSc1ccccc1CCn1cc[nH+]c1 ZINC001250319450 980764775 /nfs/dbraw/zinc/76/47/75/980764775.db2.gz RFVFBFUYCSIFOP-UHFFFAOYSA-N 1 2 218.325 2.848 20 0 BFADLO CCc1cn(Cc2ccc(C)nc2Cl)c[nH+]1 ZINC001190104049 980847863 /nfs/dbraw/zinc/84/78/63/980847863.db2.gz PGWAWMYQONMBQJ-UHFFFAOYSA-N 1 2 235.718 2.851 20 0 BFADLO COCc1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001240952000 982020128 /nfs/dbraw/zinc/02/01/28/982020128.db2.gz BPZAZDVJYJNXHJ-FSCUZGFYSA-N 1 2 203.285 2.709 20 0 BFADLO CCCCCC[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201742966 983443386 /nfs/dbraw/zinc/44/33/86/983443386.db2.gz CFEHPDJLPZDWCZ-NSHDSACASA-N 1 2 215.312 2.570 20 0 BFADLO CCCCCC[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001201742966 983443391 /nfs/dbraw/zinc/44/33/91/983443391.db2.gz CFEHPDJLPZDWCZ-NSHDSACASA-N 1 2 215.312 2.570 20 0 BFADLO CC1(CO[NH+]=C(N)Cc2cccs2)CCC1 ZINC000853666574 983766921 /nfs/dbraw/zinc/76/69/21/983766921.db2.gz IRFSUNPLGRLVGU-UHFFFAOYSA-N 1 2 238.356 2.979 20 0 BFADLO CC(C)OCC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001172441535 974798484 /nfs/dbraw/zinc/79/84/84/974798484.db2.gz WXRQTPXCLSUQHV-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)OCC[C@@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001172441535 974798492 /nfs/dbraw/zinc/79/84/92/974798492.db2.gz WXRQTPXCLSUQHV-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO C[C@@H]1CC[C@@H](OCc2c[nH+]cn2C)C[C@@H]1C ZINC001222595083 972592118 /nfs/dbraw/zinc/59/21/18/972592118.db2.gz NUBOZXHLNPPSIK-NTZNESFSSA-N 1 2 222.332 2.761 20 0 BFADLO C[C@@H]1CCC[C@H](OCc2c[nH+]cn2C)C1 ZINC001222595191 972594222 /nfs/dbraw/zinc/59/42/22/972594222.db2.gz SEPGUEBKVLJGBT-PWSUYJOCSA-N 1 2 208.305 2.515 20 0 BFADLO CCC1CCC(OCc2c[nH+]cn2C)CC1 ZINC001222600942 972597217 /nfs/dbraw/zinc/59/72/17/972597217.db2.gz VYEPLPIAYNDOTF-UHFFFAOYSA-N 1 2 222.332 2.906 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545140 972857226 /nfs/dbraw/zinc/85/72/26/972857226.db2.gz TUMJWFACZYEUSO-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144545140 972857228 /nfs/dbraw/zinc/85/72/28/972857228.db2.gz TUMJWFACZYEUSO-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO CN(C)c1cc(F)cc(-c2ccc[nH+]c2N)c1 ZINC001243475358 970768725 /nfs/dbraw/zinc/76/87/25/970768725.db2.gz WSTLOSZSNTUEEI-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO Cc1cnc2[nH]ccc2c1-c1ccc[nH+]c1N ZINC001243477420 970769931 /nfs/dbraw/zinc/76/99/31/970769931.db2.gz NIVDEGNENOMVTG-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(O)cc(Nc2[nH+]cccc2N(C)C)c1 ZINC001215511344 970773931 /nfs/dbraw/zinc/77/39/31/970773931.db2.gz GJAUDYPYFKNBJI-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CC[C@H](C)C[C@H](C)Nc1[nH+]ccc(C)c1C(N)=O ZINC001157881777 970876198 /nfs/dbraw/zinc/87/61/98/970876198.db2.gz ONZRDEAVHFDYEF-ONGXEEELSA-N 1 2 249.358 2.726 20 0 BFADLO CC[C@@H](C)C[C@H](C)Nc1[nH+]ccc(C)c1C(N)=O ZINC001157881770 970876377 /nfs/dbraw/zinc/87/63/77/970876377.db2.gz ONZRDEAVHFDYEF-KOLCDFICSA-N 1 2 249.358 2.726 20 0 BFADLO COc1cc(Nc2cc(C)cc[nH+]2)ccc1CO ZINC001216108872 970940843 /nfs/dbraw/zinc/94/08/43/970940843.db2.gz KZRIAUZRWNONFC-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO CO[C@H]1CC=C(c2cccc3[nH+]ccn32)CC1 ZINC001243808115 970966174 /nfs/dbraw/zinc/96/61/74/970966174.db2.gz OZQKVYAKZPIMHW-LBPRGKRZSA-N 1 2 228.295 2.917 20 0 BFADLO C[NH+](C)Cc1nnc(CCC2CCCCC2)o1 ZINC001256779704 970984547 /nfs/dbraw/zinc/98/45/47/970984547.db2.gz DDSNKZMYPQOURH-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CC1(F)C[NH+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256812072 970991437 /nfs/dbraw/zinc/99/14/37/970991437.db2.gz QUCRWGSZTQMDLD-ZIAGYGMSSA-N 1 2 249.329 2.951 20 0 BFADLO Cc1c(O)cccc1Nc1[nH+]cccc1N(C)C ZINC001216320323 971037418 /nfs/dbraw/zinc/03/74/18/971037418.db2.gz LCQRAUXPBLPUOY-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO CCOc1cc(NC2=CCCOC2)cc(C)[nH+]1 ZINC001216505774 971104390 /nfs/dbraw/zinc/10/43/90/971104390.db2.gz OIAGHRFRECMHBZ-UHFFFAOYSA-N 1 2 234.299 2.505 20 0 BFADLO Nc1cc(-c2ccc(Cl)cc2N)cc[nH+]1 ZINC001244199724 971148953 /nfs/dbraw/zinc/14/89/53/971148953.db2.gz BEXSMOZMWIHKOK-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000809652649 971276163 /nfs/dbraw/zinc/27/61/63/971276163.db2.gz KBIRIEVIULCKBB-DMDPSCGWSA-N 1 2 239.359 2.639 20 0 BFADLO C[C@@H]1OC[C@H](Nc2ccc([NH+](C)C)cc2)[C@@H]1C ZINC000405702777 971297947 /nfs/dbraw/zinc/29/79/47/971297947.db2.gz PNXXOELALYYJFR-SUNKGSAMSA-N 1 2 234.343 2.588 20 0 BFADLO CCC[C@@H](C)CC[C@@H](C)[NH2+]CC(=O)OCC ZINC001257469579 971395154 /nfs/dbraw/zinc/39/51/54/971395154.db2.gz XCPJIUVBJDVAOL-VXGBXAGGSA-N 1 2 229.364 2.744 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485466 971410790 /nfs/dbraw/zinc/41/07/90/971410790.db2.gz MRUWDZOUJPKTBL-CYDGBPFRSA-N 1 2 239.359 2.591 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C(=O)O2 ZINC001257485466 971410798 /nfs/dbraw/zinc/41/07/98/971410798.db2.gz MRUWDZOUJPKTBL-CYDGBPFRSA-N 1 2 239.359 2.591 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257510650 971430035 /nfs/dbraw/zinc/43/00/35/971430035.db2.gz FCTCLASAWZILNM-UTUOFQBUSA-N 1 2 245.338 2.541 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1C[C@H](F)C[C@H]1C(=O)OC ZINC001257510650 971430039 /nfs/dbraw/zinc/43/00/39/971430039.db2.gz FCTCLASAWZILNM-UTUOFQBUSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(S)cc1 ZINC001217984723 971561038 /nfs/dbraw/zinc/56/10/38/971561038.db2.gz HBWSCSGDLGYPIF-MFKMUULPSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1C ZINC001218005545 971569926 /nfs/dbraw/zinc/56/99/26/971569926.db2.gz LLLBZXXGRLBABT-GFCCVEGCSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1cccc(O[C@H]2CC[NH2+]CC2(F)F)c1C ZINC001218005428 971571078 /nfs/dbraw/zinc/57/10/78/971571078.db2.gz JMMKPJVUQOWVEQ-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO Sc1ccccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090650 971598102 /nfs/dbraw/zinc/59/81/02/971598102.db2.gz BXHIEDMJUZERLR-ZIAGYGMSSA-N 1 2 249.379 2.886 20 0 BFADLO Sc1ccccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144015 971606202 /nfs/dbraw/zinc/60/62/02/971606202.db2.gz FTYVYNVXJKLTNE-GRYCIOLGSA-N 1 2 249.379 2.742 20 0 BFADLO Nc1cc(-c2ccc(O)cc2Cl)cc[nH+]1 ZINC001245083049 971633828 /nfs/dbraw/zinc/63/38/28/971633828.db2.gz GOMIOFNVIXITQP-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO CNc1ccc(N[C@@H](C)c2cccc(N)c2)c[nH+]1 ZINC001170733982 971676882 /nfs/dbraw/zinc/67/68/82/971676882.db2.gz XKBSPLYMFIOPDY-JTQLQIEISA-N 1 2 242.326 2.879 20 0 BFADLO C[C@@H]1CCC[C@@H](C)C1Oc1cc(N)cc[nH+]1 ZINC001218352923 971724673 /nfs/dbraw/zinc/72/46/73/971724673.db2.gz ODXIHXOZKFTEMO-NXEZZACHSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1[nH]c2ccc(OC3CCC(O)CC3)cc2[nH+]1 ZINC001218365580 971747612 /nfs/dbraw/zinc/74/76/12/971747612.db2.gz ZIOXYPPDLCLMNB-UHFFFAOYSA-N 1 2 246.310 2.554 20 0 BFADLO Cc1ccc(F)c(OC2C[NH+](C(C)C)C2)c1 ZINC001225354581 974440036 /nfs/dbraw/zinc/44/00/36/974440036.db2.gz PGNCSZSFOSLFHH-UHFFFAOYSA-N 1 2 223.291 2.606 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218402728 971778714 /nfs/dbraw/zinc/77/87/14/971778714.db2.gz FLNYMOGOJOLTTN-ZDUSSCGKSA-N 1 2 249.379 2.805 20 0 BFADLO CC1(C)C[C@@H]([N@@H+]2CCCCC(F)(F)C2)CO1 ZINC001172284046 974547173 /nfs/dbraw/zinc/54/71/73/974547173.db2.gz OHUSUOVCDBWPON-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO CC1(C)C[C@@H]([N@H+]2CCCCC(F)(F)C2)CO1 ZINC001172284046 974547180 /nfs/dbraw/zinc/54/71/80/974547180.db2.gz OHUSUOVCDBWPON-SNVBAGLBSA-N 1 2 233.302 2.675 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCOC[C@@H]2C)c1C ZINC001170821582 971909777 /nfs/dbraw/zinc/90/97/77/971909777.db2.gz YGYKFQCCFVKLNH-CMPLNLGQSA-N 1 2 220.316 2.535 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330947 974593125 /nfs/dbraw/zinc/59/31/25/974593125.db2.gz NISGVJWYODFRBX-WHOHXGKFSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001172330947 974593132 /nfs/dbraw/zinc/59/31/32/974593132.db2.gz NISGVJWYODFRBX-WHOHXGKFSA-N 1 2 235.318 2.572 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001172335387 974599021 /nfs/dbraw/zinc/59/90/21/974599021.db2.gz FBIGBMXSOZZBFV-WDEREUQCSA-N 1 2 235.318 2.921 20 0 BFADLO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC001172335387 974599029 /nfs/dbraw/zinc/59/90/29/974599029.db2.gz FBIGBMXSOZZBFV-WDEREUQCSA-N 1 2 235.318 2.921 20 0 BFADLO Cc1nn(C[N@H+]2CC[C@H](C)[C@H]2C)c(=S)s1 ZINC000246856607 956940271 /nfs/dbraw/zinc/94/02/71/956940271.db2.gz LVTOGEVGTOBNQP-JGVFFNPUSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c(=S)s1 ZINC000246856607 956940293 /nfs/dbraw/zinc/94/02/93/956940293.db2.gz LVTOGEVGTOBNQP-JGVFFNPUSA-N 1 2 243.401 2.670 20 0 BFADLO C[C@@H](CC(=O)O[C@@H](C)c1ccoc1)n1cc[nH+]c1 ZINC001345015500 957000588 /nfs/dbraw/zinc/00/05/88/957000588.db2.gz QYTQKGAPNCOLPL-QWRGUYRKSA-N 1 2 248.282 2.732 20 0 BFADLO CCOC1C[NH+](Cc2cc(C)c(F)c(C)c2)C1 ZINC001143373785 957026243 /nfs/dbraw/zinc/02/62/43/957026243.db2.gz AHFACMLUARXSQN-UHFFFAOYSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C[N@H+]2CCOC[C@@H]2C)cc(C)c1F ZINC001143374326 957056970 /nfs/dbraw/zinc/05/69/70/957056970.db2.gz SNPRVTPGZMCHCD-LBPRGKRZSA-N 1 2 237.318 2.663 20 0 BFADLO Cc1cc(C[N@@H+]2CCOC[C@@H]2C)cc(C)c1F ZINC001143374326 957056986 /nfs/dbraw/zinc/05/69/86/957056986.db2.gz SNPRVTPGZMCHCD-LBPRGKRZSA-N 1 2 237.318 2.663 20 0 BFADLO CC[N@H+](Cc1cccnn1)Cc1ccccc1F ZINC001139972713 957188902 /nfs/dbraw/zinc/18/89/02/957188902.db2.gz YNRLEPIJPYHDHQ-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cccnn1)Cc1ccccc1F ZINC001139972713 957188913 /nfs/dbraw/zinc/18/89/13/957188913.db2.gz YNRLEPIJPYHDHQ-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001209410574 957419661 /nfs/dbraw/zinc/41/96/61/957419661.db2.gz KZPQRZMCQJMIHK-KXUCPTDWSA-N 1 2 221.266 2.569 20 0 BFADLO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001209410574 957419664 /nfs/dbraw/zinc/41/96/64/957419664.db2.gz KZPQRZMCQJMIHK-KXUCPTDWSA-N 1 2 221.266 2.569 20 0 BFADLO CC[C@@H](c1ccccc1)N(C)c1cc(N)nc[nH+]1 ZINC001167128108 957428072 /nfs/dbraw/zinc/42/80/72/957428072.db2.gz PATYATOTDAZIGH-LBPRGKRZSA-N 1 2 242.326 2.646 20 0 BFADLO CC(C)c1ccc(N2C[C@H]3OC[C@@H](C)[C@H]3C2)[nH+]c1 ZINC001167169901 957516905 /nfs/dbraw/zinc/51/69/05/957516905.db2.gz JDUKFFKEBCKFGE-MRVWCRGKSA-N 1 2 246.354 2.676 20 0 BFADLO Cc1ccc(O)c(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209842674 957543688 /nfs/dbraw/zinc/54/36/88/957543688.db2.gz OPKIZFMCOFXAAP-UHFFFAOYSA-N 1 2 240.266 2.716 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)ccc1N(C)C ZINC001210040392 957627074 /nfs/dbraw/zinc/62/70/74/957627074.db2.gz YYUXOTKGIHUPIV-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO CCC[C@H](OCC[NH+]1CCOCC1)C(C)(C)C ZINC001210208388 957671522 /nfs/dbraw/zinc/67/15/22/957671522.db2.gz RVOGQIDUOKALBH-ZDUSSCGKSA-N 1 2 243.391 2.550 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cncc(N)c2)cc1 ZINC001210442435 957750765 /nfs/dbraw/zinc/75/07/65/957750765.db2.gz TYJUOMDTDWWSOY-UHFFFAOYSA-N 1 2 242.326 2.864 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cncc(N)c2)cc1 ZINC001210442435 957750768 /nfs/dbraw/zinc/75/07/68/957750768.db2.gz TYJUOMDTDWWSOY-UHFFFAOYSA-N 1 2 242.326 2.864 20 0 BFADLO C[N@H+](C/C=C/c1ccccc1)Cc1cnc[nH]1 ZINC001136871889 972292179 /nfs/dbraw/zinc/29/21/79/972292179.db2.gz QQZDINDFNVHZTN-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO C[N@@H+](C/C=C/c1ccccc1)Cc1cnc[nH]1 ZINC001136871889 972292183 /nfs/dbraw/zinc/29/21/83/972292183.db2.gz QQZDINDFNVHZTN-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO C[N@H+](C/C=C/c1ccccc1)Cc1c[nH]cn1 ZINC001136871889 972292188 /nfs/dbraw/zinc/29/21/88/972292188.db2.gz QQZDINDFNVHZTN-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO C[N@@H+](C/C=C/c1ccccc1)Cc1c[nH]cn1 ZINC001136871889 972292190 /nfs/dbraw/zinc/29/21/90/972292190.db2.gz QQZDINDFNVHZTN-VMPITWQZSA-N 1 2 227.311 2.555 20 0 BFADLO CC(C)(O)c1ccc(Nc2[nH+]cccc2N)cc1 ZINC001210615316 957832101 /nfs/dbraw/zinc/83/21/01/957832101.db2.gz YPRCBPSDCFYHFA-UHFFFAOYSA-N 1 2 243.310 2.635 20 0 BFADLO Cc1ccn2c(C[N@@H+]3CCC[C@@H](F)C3)cnc2c1 ZINC001136888854 972295748 /nfs/dbraw/zinc/29/57/48/972295748.db2.gz HPMMKLNWUVIBKK-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccn2c(C[N@H+]3CCC[C@@H](F)C3)cnc2c1 ZINC001136888854 972295753 /nfs/dbraw/zinc/29/57/53/972295753.db2.gz HPMMKLNWUVIBKK-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO C[C@@H]1CCCN(Cc2[nH+]cc3ccccn32)C1 ZINC001207048489 957846235 /nfs/dbraw/zinc/84/62/35/957846235.db2.gz RCRXWXYMORBFGB-GFCCVEGCSA-N 1 2 229.327 2.566 20 0 BFADLO COc1cc(Nc2csc(C)n2)cc(C)[nH+]1 ZINC001210780272 957874686 /nfs/dbraw/zinc/87/46/86/957874686.db2.gz MQXJMLVLHIRLBB-UHFFFAOYSA-N 1 2 235.312 2.907 20 0 BFADLO CCOc1cc[nH+]cc1Nc1nccs1 ZINC001210989186 957971974 /nfs/dbraw/zinc/97/19/74/957971974.db2.gz AIAFGHBSWMSMOL-UHFFFAOYSA-N 1 2 221.285 2.680 20 0 BFADLO Clc1cncc(C[NH+]2CC3(CCC3)C2)c1 ZINC001136989666 972313559 /nfs/dbraw/zinc/31/35/59/972313559.db2.gz NQPRZWWDSGMTIQ-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cncc(Cl)c2)C1 ZINC001136989942 972313613 /nfs/dbraw/zinc/31/36/13/972313613.db2.gz WRHPLAYRHJIDRF-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cncc(Cl)c2)C1 ZINC001136989942 972313616 /nfs/dbraw/zinc/31/36/16/972313616.db2.gz WRHPLAYRHJIDRF-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO CCn1cc(Nc2c[nH+]cc(C)c2C)c(C)n1 ZINC001213523177 958200342 /nfs/dbraw/zinc/20/03/42/958200342.db2.gz MYBRPVKKHOJPKT-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO COc1cc(F)ncc1Nc1c[nH+]cc(C)c1C ZINC001213528662 958224939 /nfs/dbraw/zinc/22/49/39/958224939.db2.gz KMHNCBCSJWEHHR-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO C[N@H+](Cc1nccn1C1CC1)Cc1ccccc1 ZINC000891389981 958315129 /nfs/dbraw/zinc/31/51/29/958315129.db2.gz HZUHOGOYGVIQCT-UHFFFAOYSA-N 1 2 241.338 2.850 20 0 BFADLO C[N@@H+](Cc1nccn1C1CC1)Cc1ccccc1 ZINC000891389981 958315156 /nfs/dbraw/zinc/31/51/56/958315156.db2.gz HZUHOGOYGVIQCT-UHFFFAOYSA-N 1 2 241.338 2.850 20 0 BFADLO COc1cnc(F)cc1Nc1c[nH+]c(C)cc1C ZINC001215803501 958323228 /nfs/dbraw/zinc/32/32/28/958323228.db2.gz XFPQMZCYEDZHFQ-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO C[C@@H]1CC[C@@H](O)CN1c1[nH+]ccc2ccccc21 ZINC000399263579 958585115 /nfs/dbraw/zinc/58/51/15/958585115.db2.gz QBLQEFPWQORVSB-DGCLKSJQSA-N 1 2 242.322 2.584 20 0 BFADLO Cc1c[nH]c(CNc2ccc([NH+](C)C)cc2C)n1 ZINC000693538010 958732672 /nfs/dbraw/zinc/73/26/72/958732672.db2.gz KIKRXUHRNMODPZ-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO CC[C@H]1CCCC[C@H]1OCCn1cc[nH+]c1 ZINC001222135171 972372744 /nfs/dbraw/zinc/37/27/44/972372744.db2.gz XAVGBINCCQPYSL-QWHCGFSZSA-N 1 2 222.332 2.869 20 0 BFADLO C[C@@H]1CC[C@H](OCCn2cc[nH+]c2)C[C@H]1C ZINC001222134509 972385225 /nfs/dbraw/zinc/38/52/25/972385225.db2.gz FNNAHMWTTIVRJC-UPJWGTAASA-N 1 2 222.332 2.724 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@@H]2C)c(F)c1F ZINC001143903229 972389662 /nfs/dbraw/zinc/38/96/62/972389662.db2.gz CKEDRTVOKJWLTR-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@@H]2C)c(F)c1F ZINC001143903229 972389674 /nfs/dbraw/zinc/38/96/74/972389674.db2.gz CKEDRTVOKJWLTR-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO Fc1ccc2c(c1)CC[C@H]2OCCn1cc[nH+]c1 ZINC001222139143 972390385 /nfs/dbraw/zinc/39/03/85/972390385.db2.gz OJGFIYDHGSWYPA-CQSZACIVSA-N 1 2 246.285 2.726 20 0 BFADLO c1cn(-c2ccc(NC3=CCCOC3)cc2)c[nH+]1 ZINC001216506541 959003259 /nfs/dbraw/zinc/00/32/59/959003259.db2.gz PPHOZYGWXOTDOW-UHFFFAOYSA-N 1 2 241.294 2.588 20 0 BFADLO c1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)on1 ZINC001213086337 959168559 /nfs/dbraw/zinc/16/85/59/959168559.db2.gz NXWZAOXYLKUSDP-UHFFFAOYSA-N 1 2 226.239 2.808 20 0 BFADLO COc1ccc(Nc2cccc(C)[nH+]2)c(CO)c1 ZINC001211734099 959424885 /nfs/dbraw/zinc/42/48/85/959424885.db2.gz XXRRSJAECBTASX-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C[C@@H]1OC[C@@H](Nc2ccc([NH+](C)C)cc2)[C@@H]1C ZINC000405702778 959491511 /nfs/dbraw/zinc/49/15/11/959491511.db2.gz PNXXOELALYYJFR-UHIISALHSA-N 1 2 234.343 2.588 20 0 BFADLO CC[N@H+](Cc1c(F)ccc(OC)c1F)C1CC1 ZINC001143970955 972439770 /nfs/dbraw/zinc/43/97/70/972439770.db2.gz NVSLRJWJMZBCPC-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO CC[N@@H+](Cc1c(F)ccc(OC)c1F)C1CC1 ZINC001143970955 972439772 /nfs/dbraw/zinc/43/97/72/972439772.db2.gz NVSLRJWJMZBCPC-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO Oc1ccc(C[NH+]2CCC(F)CC2)c(F)c1F ZINC001140889256 960046058 /nfs/dbraw/zinc/04/60/58/960046058.db2.gz DJHDVGXNNPBEKV-UHFFFAOYSA-N 1 2 245.244 2.604 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218408326 960067926 /nfs/dbraw/zinc/06/79/26/960067926.db2.gz UTUXOQGEZYUHBY-QWRGUYRKSA-N 1 2 237.368 2.803 20 0 BFADLO CCOc1c(F)cc(C[N@@H+]2CC[C@H]2C)cc1F ZINC001144023442 972494586 /nfs/dbraw/zinc/49/45/86/972494586.db2.gz VOIURBWZZWRRBQ-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1c(F)cc(C[N@H+]2CC[C@H]2C)cc1F ZINC001144023442 972494595 /nfs/dbraw/zinc/49/45/95/972494595.db2.gz VOIURBWZZWRRBQ-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1c(F)cc(C[NH+]2CC=CC2)cc1F ZINC001144023068 972496505 /nfs/dbraw/zinc/49/65/05/972496505.db2.gz ORBWWMKRUYNHJP-UHFFFAOYSA-N 1 2 239.265 2.735 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@H]2C)cc(C)c1O ZINC001140657648 960478664 /nfs/dbraw/zinc/47/86/64/960478664.db2.gz BYBQQQIQRNUATO-GFCCVEGCSA-N 1 2 247.338 2.562 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@H]2C)cc(C)c1O ZINC001140657648 960478669 /nfs/dbraw/zinc/47/86/69/960478669.db2.gz BYBQQQIQRNUATO-GFCCVEGCSA-N 1 2 247.338 2.562 20 0 BFADLO CCCOC1C[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001140658720 960478837 /nfs/dbraw/zinc/47/88/37/960478837.db2.gz QACFARWGDPQFTA-UHFFFAOYSA-N 1 2 249.354 2.620 20 0 BFADLO C[C@H]1CC(=O)CC[N@@H+]1Cc1coc2ccccc12 ZINC001140782648 960568863 /nfs/dbraw/zinc/56/88/63/960568863.db2.gz NTOOXHWZMFIMNY-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO C[C@H]1CC(=O)CC[N@H+]1Cc1coc2ccccc12 ZINC001140782648 960568875 /nfs/dbraw/zinc/56/88/75/960568875.db2.gz NTOOXHWZMFIMNY-NSHDSACASA-N 1 2 243.306 2.986 20 0 BFADLO CCCCOC1C[NH+](Cc2[nH]cc(C)c2C)C1 ZINC001140860452 960642896 /nfs/dbraw/zinc/64/28/96/960642896.db2.gz SRZWYHAVDBQFOV-UHFFFAOYSA-N 1 2 236.359 2.632 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890141 960671657 /nfs/dbraw/zinc/67/16/57/960671657.db2.gz WYHDPGXWRBJHDU-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890141 960671666 /nfs/dbraw/zinc/67/16/66/960671666.db2.gz WYHDPGXWRBJHDU-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO Cc1cc(C[N@@H+]2CCCc3ccccc3C2)n[nH]1 ZINC001203076404 960674184 /nfs/dbraw/zinc/67/41/84/960674184.db2.gz AEKDSJDVLBYYDQ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1cc(C[N@H+]2CCCc3ccccc3C2)n[nH]1 ZINC001203076404 960674200 /nfs/dbraw/zinc/67/42/00/960674200.db2.gz AEKDSJDVLBYYDQ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1ccc(CC[N@@H+](C)Cc2csnn2)cc1 ZINC001140996835 960792807 /nfs/dbraw/zinc/79/28/07/960792807.db2.gz FVHCYCGWVNJWRF-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1ccc(CC[N@H+](C)Cc2csnn2)cc1 ZINC001140996835 960792835 /nfs/dbraw/zinc/79/28/35/960792835.db2.gz FVHCYCGWVNJWRF-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO FC1(F)CC2(C1)CC[NH+](Cc1ncco1)CC2 ZINC001141004321 960800924 /nfs/dbraw/zinc/80/09/24/960800924.db2.gz BFSZAVGNWSUTKF-UHFFFAOYSA-N 1 2 242.269 2.686 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ncco2)cn1 ZINC001141010747 960811363 /nfs/dbraw/zinc/81/13/63/960811363.db2.gz GUFZICNRFBZXHS-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ncco2)cn1 ZINC001141010747 960811362 /nfs/dbraw/zinc/81/13/62/960811362.db2.gz GUFZICNRFBZXHS-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1ncco1 ZINC001141010945 960811422 /nfs/dbraw/zinc/81/14/22/960811422.db2.gz MLCKUODQKPNLGG-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1cccs1)Cc1ncco1 ZINC001141010945 960811425 /nfs/dbraw/zinc/81/14/25/960811425.db2.gz MLCKUODQKPNLGG-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC1(C)C[N@H+](Cc2ncco2)Cc2ccccc21 ZINC001141011325 960818362 /nfs/dbraw/zinc/81/83/62/960818362.db2.gz XXVILBMKBFHCGE-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO CC1(C)C[N@@H+](Cc2ncco2)Cc2ccccc21 ZINC001141011325 960818377 /nfs/dbraw/zinc/81/83/77/960818377.db2.gz XXVILBMKBFHCGE-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO CC(C)(C)c1cccc(C[NH+]2CC(C)(O)C2)c1 ZINC001141102793 960865947 /nfs/dbraw/zinc/86/59/47/960865947.db2.gz OORDFXGOZFWNSR-UHFFFAOYSA-N 1 2 233.355 2.551 20 0 BFADLO CC(C)(C)c1cccc(C[N@@H+]2CCC23COC3)c1 ZINC001141104196 960865964 /nfs/dbraw/zinc/86/59/64/960865964.db2.gz UKUGBZBRPHTMBF-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO CC(C)(C)c1cccc(C[N@H+]2CCC23COC3)c1 ZINC001141104196 960865966 /nfs/dbraw/zinc/86/59/66/960865966.db2.gz UKUGBZBRPHTMBF-UHFFFAOYSA-N 1 2 245.366 2.959 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cocn2)cn1 ZINC001141130710 960882968 /nfs/dbraw/zinc/88/29/68/960882968.db2.gz XKRKYTIXDDESPV-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cocn2)cn1 ZINC001141130710 960882974 /nfs/dbraw/zinc/88/29/74/960882974.db2.gz XKRKYTIXDDESPV-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO COc1c(F)cccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001143521688 960895406 /nfs/dbraw/zinc/89/54/06/960895406.db2.gz DLLGLHSKRHQTOX-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO COc1c(F)cccc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001143521688 960895409 /nfs/dbraw/zinc/89/54/09/960895409.db2.gz DLLGLHSKRHQTOX-MWLCHTKSSA-N 1 2 241.281 2.767 20 0 BFADLO Cc1ccc[nH+]c1Nc1cccc(CCO)c1 ZINC001203106079 961018730 /nfs/dbraw/zinc/01/87/30/961018730.db2.gz HZZNGMSJGWUJOA-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO Cc1cc(NC2(CO)CCCC2)[nH+]c2cc[nH]c21 ZINC001167806786 961081750 /nfs/dbraw/zinc/08/17/50/961081750.db2.gz TWUSZVIATZFJAR-UHFFFAOYSA-N 1 2 245.326 2.588 20 0 BFADLO Cc1ccnc(-c2cc(C)cc(NC=[NH2+])n2)c1 ZINC001167868072 961357713 /nfs/dbraw/zinc/35/77/13/961357713.db2.gz QDDUKGRLPXGGDC-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO FC(F)(F)C(F)(F)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167894617 961516472 /nfs/dbraw/zinc/51/64/72/961516472.db2.gz PWFFQLOVMMNXFF-KVSKUHBBSA-N 1 2 229.192 2.572 20 0 BFADLO Clc1cc(C[N@@H+]2CCCOCC2)cs1 ZINC001142760244 961713360 /nfs/dbraw/zinc/71/33/60/961713360.db2.gz LNMBZYPHELELFB-UHFFFAOYSA-N 1 2 231.748 2.624 20 0 BFADLO Clc1cc(C[N@H+]2CCCOCC2)cs1 ZINC001142760244 961713365 /nfs/dbraw/zinc/71/33/65/961713365.db2.gz LNMBZYPHELELFB-UHFFFAOYSA-N 1 2 231.748 2.624 20 0 BFADLO COc1c(F)cccc1C[NH+]1CC(C(F)F)C1 ZINC001143534323 961794101 /nfs/dbraw/zinc/79/41/01/961794101.db2.gz QDVVZFFOEAKXBB-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CF)c1 ZINC000293007496 961888306 /nfs/dbraw/zinc/88/83/06/961888306.db2.gz JNSWJBKCCMFBGK-GFCCVEGCSA-N 1 2 236.265 2.631 20 0 BFADLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000293007496 961888307 /nfs/dbraw/zinc/88/83/07/961888307.db2.gz JNSWJBKCCMFBGK-GFCCVEGCSA-N 1 2 236.265 2.631 20 0 BFADLO COc1ccc([C@@H](C)Oc2cc[nH+]cc2)cn1 ZINC001225291732 962059629 /nfs/dbraw/zinc/05/96/29/962059629.db2.gz XMKDZXMYJUJDOS-SNVBAGLBSA-N 1 2 230.267 2.625 20 0 BFADLO Cc1ccc([C@@H](C)Oc2cc[nH+]cc2)cn1 ZINC001225291806 962060950 /nfs/dbraw/zinc/06/09/50/962060950.db2.gz YRRBMJLAALZVKC-LLVKDONJSA-N 1 2 214.268 2.925 20 0 BFADLO c1nn[nH]c1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001203198878 962161214 /nfs/dbraw/zinc/16/12/14/962161214.db2.gz QUCZFFMNTHBDRA-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1nn[nH]c1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001203198878 962161225 /nfs/dbraw/zinc/16/12/25/962161225.db2.gz QUCZFFMNTHBDRA-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1[nH]nnc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001203198878 962161234 /nfs/dbraw/zinc/16/12/34/962161234.db2.gz QUCZFFMNTHBDRA-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1[nH]nnc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001203198878 962161244 /nfs/dbraw/zinc/16/12/44/962161244.db2.gz QUCZFFMNTHBDRA-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO Oc1c(F)cc(C[NH+]2CCCCC2)cc1F ZINC000132492118 962433249 /nfs/dbraw/zinc/43/32/49/962433249.db2.gz BPJFVLSJRKTWHF-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2c(c1)OCC2 ZINC001206647922 962604136 /nfs/dbraw/zinc/60/41/36/962604136.db2.gz FTEGJBOINRWSKG-UHFFFAOYSA-N 1 2 242.278 2.774 20 0 BFADLO CCc1coc(CNc2[nH+]ccc(F)c2C)n1 ZINC001154778552 962843020 /nfs/dbraw/zinc/84/30/20/962843020.db2.gz ONUYZFSNRWCZCP-UHFFFAOYSA-N 1 2 235.262 2.692 20 0 BFADLO CSc1cc[nH+]c(NCC(C)(F)F)c1 ZINC001154858592 962876253 /nfs/dbraw/zinc/87/62/53/962876253.db2.gz NZCACFQVDMANCK-UHFFFAOYSA-N 1 2 218.272 2.871 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cc(Cl)ncn1 ZINC001155176291 962997309 /nfs/dbraw/zinc/99/73/09/962997309.db2.gz YEGBNUTUEJPMBW-UHFFFAOYSA-N 1 2 212.684 2.565 20 0 BFADLO CCOc1cc(F)c(C[N@@H+]2CC[C@H]2C)c(F)c1 ZINC001143564685 962975740 /nfs/dbraw/zinc/97/57/40/962975740.db2.gz JDARIERJCZFFCL-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1cc(F)c(C[N@H+]2CC[C@H]2C)c(F)c1 ZINC001143564685 962975748 /nfs/dbraw/zinc/97/57/48/962975748.db2.gz JDARIERJCZFFCL-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cncnc1Cl ZINC001155176195 963002390 /nfs/dbraw/zinc/00/23/90/963002390.db2.gz UCAASHGYYRDDOT-UHFFFAOYSA-N 1 2 212.684 2.565 20 0 BFADLO CSc1cncc(NC(=[NH2+])C(C)(C)C)n1 ZINC001155181825 963005534 /nfs/dbraw/zinc/00/55/34/963005534.db2.gz SKFUWZLWQLEBHG-UHFFFAOYSA-N 1 2 224.333 2.634 20 0 BFADLO Cc1nc(N2CCC[C@@H](C)C2)c2c([nH+]1)CCC2 ZINC001155208579 963020793 /nfs/dbraw/zinc/02/07/93/963020793.db2.gz VPPOZOGZOKBQNU-SNVBAGLBSA-N 1 2 231.343 2.510 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CCC[C@@H](C)C1 ZINC001155207842 963022424 /nfs/dbraw/zinc/02/24/24/963022424.db2.gz FNDQGFANWCQLFC-SECBINFHSA-N 1 2 208.280 2.765 20 0 BFADLO COc1cc(C)c[nH+]c1N1CCC[C@@H](C)C1 ZINC001155208074 963024867 /nfs/dbraw/zinc/02/48/67/963024867.db2.gz KWFZFXKZZOXKMH-SNVBAGLBSA-N 1 2 220.316 2.635 20 0 BFADLO Cc1cnccc1CNc1ccc(Cl)c(N)[nH+]1 ZINC001155224504 963029805 /nfs/dbraw/zinc/02/98/05/963029805.db2.gz GLQGJYHAUOQXQK-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO CC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001167999239 963212678 /nfs/dbraw/zinc/21/26/78/963212678.db2.gz NMADIDSPJDRVAE-LLVKDONJSA-N 1 2 230.315 2.537 20 0 BFADLO COc1cc(C)c[nH+]c1NCCCSC ZINC001155979862 963222270 /nfs/dbraw/zinc/22/22/70/963222270.db2.gz JGYIDBNKVVFRLL-UHFFFAOYSA-N 1 2 226.345 2.564 20 0 BFADLO Cc1nc(N2C[C@H](C)CC23CC3)c2c([nH+]1)CCC2 ZINC001156420244 963340979 /nfs/dbraw/zinc/34/09/79/963340979.db2.gz QHBXVFCYLFEAAI-SNVBAGLBSA-N 1 2 243.354 2.653 20 0 BFADLO Cc1nc(N2C[C@@H](C)CC23CC3)c2c([nH+]1)CCC2 ZINC001156420240 963342805 /nfs/dbraw/zinc/34/28/05/963342805.db2.gz QHBXVFCYLFEAAI-JTQLQIEISA-N 1 2 243.354 2.653 20 0 BFADLO Cc1c(Cl)nc(CC(C)C)nc1NC=[NH2+] ZINC001157080125 963518050 /nfs/dbraw/zinc/51/80/50/963518050.db2.gz NZRPXQFUENOEHN-UHFFFAOYSA-N 1 2 226.711 2.656 20 0 BFADLO CC(C)c1cc(NC=[NH2+])nc(C(C)(C)C)n1 ZINC001157079913 963525771 /nfs/dbraw/zinc/52/57/71/963525771.db2.gz HSSOELFBCNSHLI-UHFFFAOYSA-N 1 2 220.320 2.916 20 0 BFADLO Cc1cc(N2CCC[C@H]3C[C@H]32)nc(C(C)C)[nH+]1 ZINC001157142659 963542865 /nfs/dbraw/zinc/54/28/65/963542865.db2.gz DCIFIVQWBFGCNL-NWDGAFQWSA-N 1 2 231.343 2.897 20 0 BFADLO CCCc1cc(N2CCC[C@@H]3C[C@@H]32)nc(C)[nH+]1 ZINC001157135888 963543861 /nfs/dbraw/zinc/54/38/61/963543861.db2.gz YANJZKKREWZAOE-YPMHNXCESA-N 1 2 231.343 2.726 20 0 BFADLO CCCNc1[nH+]ccc2cc(C(=O)OCC)[nH]c21 ZINC001157357479 963583032 /nfs/dbraw/zinc/58/30/32/963583032.db2.gz MUPJJWJARSUYGS-UHFFFAOYSA-N 1 2 247.298 2.562 20 0 BFADLO C=Cc1ccc(NCCOC(F)(F)F)[nH+]c1 ZINC001157390825 963592067 /nfs/dbraw/zinc/59/20/67/963592067.db2.gz GPROXRPKTWIDSJ-UHFFFAOYSA-N 1 2 232.205 2.673 20 0 BFADLO Cc1c(F)cc[nH+]c1NC[C@H]1C[C@H](F)C1 ZINC001157457130 963617829 /nfs/dbraw/zinc/61/78/29/963617829.db2.gz XNNYFYVJUXNISL-KYZUINATSA-N 1 2 212.243 2.689 20 0 BFADLO CCC1(Nc2cc(CSC)cc[nH+]2)COC1 ZINC001157540394 963652827 /nfs/dbraw/zinc/65/28/27/963652827.db2.gz UFJVFWHPEKUNLH-UHFFFAOYSA-N 1 2 238.356 2.536 20 0 BFADLO CCC1(Nc2cc(C)[nH+]c(C(C)(C)C)n2)COC1 ZINC001157539659 963653787 /nfs/dbraw/zinc/65/37/87/963653787.db2.gz APTCTJPSTUNURV-UHFFFAOYSA-N 1 2 249.358 2.673 20 0 BFADLO C[C@@]1(O)C[C@H](CNc2cc3ccccc3c[nH+]2)C1 ZINC001157554656 963659475 /nfs/dbraw/zinc/65/94/75/963659475.db2.gz QEMWCAABPKVXIX-WGRBQBNCSA-N 1 2 242.322 2.808 20 0 BFADLO CC[C@@H](COc1ccc2[nH]c(C)[nH+]c2c1)OC ZINC001228328817 963758383 /nfs/dbraw/zinc/75/83/83/963758383.db2.gz JACDAECNNGMMIJ-JTQLQIEISA-N 1 2 234.299 2.675 20 0 BFADLO CC[C@H](COc1ccc2[nH]c(C)[nH+]c2c1)OC ZINC001228328818 963758539 /nfs/dbraw/zinc/75/85/39/963758539.db2.gz JACDAECNNGMMIJ-SNVBAGLBSA-N 1 2 234.299 2.675 20 0 BFADLO CCCNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001168133179 963825344 /nfs/dbraw/zinc/82/53/44/963825344.db2.gz XOCIEMYZIPPRNK-UHFFFAOYSA-N 1 2 213.712 2.623 20 0 BFADLO C=Cc1ccc(NCCc2cncs2)[nH+]c1 ZINC001158886305 963951198 /nfs/dbraw/zinc/95/11/98/963951198.db2.gz HIAFLERAQHIXPS-UHFFFAOYSA-N 1 2 231.324 2.836 20 0 BFADLO CCSc1cc[nH+]c(N(C)CC(F)F)c1 ZINC001158933987 963963713 /nfs/dbraw/zinc/96/37/13/963963713.db2.gz GYJYIUMRMSNWPL-UHFFFAOYSA-N 1 2 232.299 2.895 20 0 BFADLO Cc1c(F)cc(Nc2ccc(N)[nH+]c2)cc1F ZINC001159282602 964047266 /nfs/dbraw/zinc/04/72/66/964047266.db2.gz ZDVBZNZNZKKBKX-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO COc1ccc(C)c(F)c1Nc1ccc(N)[nH+]c1 ZINC001159281907 964048523 /nfs/dbraw/zinc/04/85/23/964048523.db2.gz IQIRXQUVOHEZCL-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Sc1ccccc1NC=CC1CC[NH2+]CC1 ZINC001159477018 964108187 /nfs/dbraw/zinc/10/81/87/964108187.db2.gz DOSLEQNYWCDMOC-JXMROGBWSA-N 1 2 234.368 2.901 20 0 BFADLO CSc1cc[nH+]c(N[C@@H]2CCOC[C@@H]2C)c1 ZINC001159716922 964165852 /nfs/dbraw/zinc/16/58/52/964165852.db2.gz SILITZDPILRKEH-GXSJLCMTSA-N 1 2 238.356 2.640 20 0 BFADLO c1cn2c(cccc2Nc2cccc3[nH]cnc32)[nH+]1 ZINC001213025998 964406567 /nfs/dbraw/zinc/40/65/67/964406567.db2.gz DGKIIBMMERQICA-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)s1 ZINC001168308709 964406932 /nfs/dbraw/zinc/40/69/32/964406932.db2.gz HGPGQTSVSKXKLZ-BDAKNGLRSA-N 1 2 244.310 2.539 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)s1 ZINC001168308709 964406943 /nfs/dbraw/zinc/40/69/43/964406943.db2.gz HGPGQTSVSKXKLZ-BDAKNGLRSA-N 1 2 244.310 2.539 20 0 BFADLO Fc1cncc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213027289 964441107 /nfs/dbraw/zinc/44/11/07/964441107.db2.gz RXMBODBSEKAZRX-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO Cc1c[nH]c(=O)c(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213028022 964461304 /nfs/dbraw/zinc/46/13/04/964461304.db2.gz FSWVXAFPAPPJDM-UHFFFAOYSA-N 1 2 240.266 2.716 20 0 BFADLO Fc1cc(Nc2cccc3[nH+]c[nH]c32)cc(F)n1 ZINC001213028327 964483567 /nfs/dbraw/zinc/48/35/67/964483567.db2.gz LYDPFAHTMFNEJF-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO Cc1cc(NC2CSC2)[nH+]cc1C(F)(F)F ZINC001168359862 964553724 /nfs/dbraw/zinc/55/37/24/964553724.db2.gz QCWGPYACLAMRCK-UHFFFAOYSA-N 1 2 248.273 2.936 20 0 BFADLO CC(C)CNc1cc(N(C)C)cc(Cl)[nH+]1 ZINC001161644843 964659804 /nfs/dbraw/zinc/65/98/04/964659804.db2.gz LAYDMEBWOGPNMC-UHFFFAOYSA-N 1 2 227.739 2.869 20 0 BFADLO c1cn(CCCNc2cnc3ccoc3c2)c[nH+]1 ZINC001161684504 964683158 /nfs/dbraw/zinc/68/31/58/964683158.db2.gz FNTHUHGGXAGYHU-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO Cc1ccc2cc(N[C@@H](CO)C(C)C)[nH+]cc2c1 ZINC001161736638 964721973 /nfs/dbraw/zinc/72/19/73/964721973.db2.gz DCRDAQASPOKTSN-AWEZNQCLSA-N 1 2 244.338 2.972 20 0 BFADLO COc1cc(C)c[nH+]c1N[C@H]1CC=CCC1 ZINC001161754983 964740292 /nfs/dbraw/zinc/74/02/92/964740292.db2.gz ZSDGHCBDTWVJMN-NSHDSACASA-N 1 2 218.300 2.919 20 0 BFADLO COc1cccc2[nH+]c(NCC(F)F)ccc21 ZINC001161810136 964765165 /nfs/dbraw/zinc/76/51/65/964765165.db2.gz ZAWKTVOIWQJKJV-UHFFFAOYSA-N 1 2 238.237 2.920 20 0 BFADLO CC[NH+](CC)c1ccc(C)c(NCC2COC2)c1 ZINC001161956061 964839523 /nfs/dbraw/zinc/83/95/23/964839523.db2.gz YNKBHHWDWPUHQC-UHFFFAOYSA-N 1 2 248.370 2.900 20 0 BFADLO CCCCNc1ccc2[nH+]cn(C)c2c1 ZINC001162204188 964865251 /nfs/dbraw/zinc/86/52/51/964865251.db2.gz QQEJXWZNTJGGOK-UHFFFAOYSA-N 1 2 203.289 2.785 20 0 BFADLO Cc1cc2cc(NCC(C)(F)F)[nH+]cc2[nH]1 ZINC001162228575 964884128 /nfs/dbraw/zinc/88/41/28/964884128.db2.gz RDJNIXNTBPUNAA-UHFFFAOYSA-N 1 2 225.242 2.938 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@H]1C[C@@]12CCCOC2 ZINC001162376586 964949647 /nfs/dbraw/zinc/94/96/47/964949647.db2.gz PBVFTYBZNGOYFY-WCQYABFASA-N 1 2 236.290 2.510 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccncc1Cl ZINC001212148026 965083354 /nfs/dbraw/zinc/08/33/54/965083354.db2.gz SKSTUIAPJPKDFG-UHFFFAOYSA-N 1 2 249.701 2.694 20 0 BFADLO CCN(CC(C)(C)O)c1[nH+]ccc2ccccc21 ZINC000168749777 965134358 /nfs/dbraw/zinc/13/43/58/965134358.db2.gz TZSRHQKOCKYFFO-UHFFFAOYSA-N 1 2 244.338 2.832 20 0 BFADLO Cc1cnccc1CNc1ccn2cc[nH+]c2c1 ZINC001162719666 965140793 /nfs/dbraw/zinc/14/07/93/965140793.db2.gz CNUIPGNGHGTDSR-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO C=Cc1ccc(NCCC2(CC)OCCO2)[nH+]c1 ZINC001163356079 965355259 /nfs/dbraw/zinc/35/52/59/965355259.db2.gz AJLHHXRNTDOTHA-UHFFFAOYSA-N 1 2 248.326 2.680 20 0 BFADLO Cc1[nH+]cccc1NCCC(=O)OC(C)(C)C ZINC001163414017 965398029 /nfs/dbraw/zinc/39/80/29/965398029.db2.gz DIIUQKUEEAZVPH-UHFFFAOYSA-N 1 2 236.315 2.534 20 0 BFADLO COc1ccc2[nH+]c(N3CCC3)cc(C)c2c1 ZINC001163534087 965428409 /nfs/dbraw/zinc/42/84/09/965428409.db2.gz IRIDGYKKGKKIJY-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO Cc1nc(N(C(C)C)C(C)C)c2c([nH+]1)CCC2 ZINC001163577543 965460721 /nfs/dbraw/zinc/46/07/21/965460721.db2.gz SEGDBFITKFQSRC-UHFFFAOYSA-N 1 2 233.359 2.897 20 0 BFADLO CCCN(CC)c1[nH+]cc(C)cc1OC ZINC001163602521 965476585 /nfs/dbraw/zinc/47/65/85/965476585.db2.gz FUNSWQBJOSJQPY-UHFFFAOYSA-N 1 2 208.305 2.635 20 0 BFADLO CCCN(CC)c1[nH+]ccc(C)c1NC(C)=O ZINC001163603514 965479608 /nfs/dbraw/zinc/47/96/08/965479608.db2.gz XPBDUQFXHNCSTL-UHFFFAOYSA-N 1 2 235.331 2.585 20 0 BFADLO Cc1cc(N(C)C(C)C)nc(C(C)(C)C)[nH+]1 ZINC001163622807 965487179 /nfs/dbraw/zinc/48/71/79/965487179.db2.gz WMOXNJZFFNEIFP-UHFFFAOYSA-N 1 2 221.348 2.927 20 0 BFADLO CCCN(CCOC)c1cc(C)[nH+]c(C2CC2)n1 ZINC001163647685 965493949 /nfs/dbraw/zinc/49/39/49/965493949.db2.gz IFEPSXYDHNVKLQ-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO CCCc1cc(N(C)CC(F)(F)F)nc(C)[nH+]1 ZINC001163710170 965529737 /nfs/dbraw/zinc/52/97/37/965529737.db2.gz QQKMXZCVFLCMGF-UHFFFAOYSA-N 1 2 247.264 2.736 20 0 BFADLO c1cc2c(nc[nH+]c2SCc2ccccn2)[nH]1 ZINC001163818278 965599035 /nfs/dbraw/zinc/59/90/35/965599035.db2.gz UDXFCBIUSACKAU-UHFFFAOYSA-N 1 2 242.307 2.645 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)CCCO1 ZINC001163966105 965665074 /nfs/dbraw/zinc/66/50/74/965665074.db2.gz MMTXOPUVTLOPDO-LLVKDONJSA-N 1 2 232.327 2.574 20 0 BFADLO Cc1cc(NCC(=O)C(C)(C)C)c2[nH+]ccn2c1 ZINC001164005708 965690404 /nfs/dbraw/zinc/69/04/04/965690404.db2.gz UDIKXJKMOLUFFH-UHFFFAOYSA-N 1 2 245.326 2.670 20 0 BFADLO CC1CC(N(C)c2ccc(Cl)c(N)[nH+]2)C1 ZINC001164199827 965790006 /nfs/dbraw/zinc/79/00/06/965790006.db2.gz WLRCCFHBUQLAGF-UHFFFAOYSA-N 1 2 225.723 2.552 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)CCC[C@@H]1O ZINC001164231559 965806573 /nfs/dbraw/zinc/80/65/73/965806573.db2.gz VELQLELXPHFAHC-FZMZJTMJSA-N 1 2 246.354 2.556 20 0 BFADLO C[C@H]1CC[C@@H](CO)N1c1[nH+]ccc2ccccc21 ZINC001164304825 965838129 /nfs/dbraw/zinc/83/81/29/965838129.db2.gz OZHWPHKAKRIMAN-AAEUAGOBSA-N 1 2 242.322 2.584 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)CC[C@]1(C)O ZINC001164355186 965855399 /nfs/dbraw/zinc/85/53/99/965855399.db2.gz XRDFCCNGQGAEHE-NHYWBVRUSA-N 1 2 246.354 2.556 20 0 BFADLO COc1ccc2cc[nH+]c(N3CC(C)(F)C3)c2c1 ZINC001164589333 965930160 /nfs/dbraw/zinc/93/01/60/965930160.db2.gz ZIIPXFPOXZXIMW-UHFFFAOYSA-N 1 2 246.285 2.792 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3cccnc3C2)o1 ZINC001204394688 965949431 /nfs/dbraw/zinc/94/94/31/965949431.db2.gz IKCBIBOMMICRKS-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3cccnc3C2)o1 ZINC001204394688 965949441 /nfs/dbraw/zinc/94/94/41/965949441.db2.gz IKCBIBOMMICRKS-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO Cc1c[nH+]cc(NC[C@H]2CCCCO2)c1C ZINC001165228528 965992999 /nfs/dbraw/zinc/99/29/99/965992999.db2.gz CJCYIZZWUMRLGQ-GFCCVEGCSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1c[nH+]cc(NC[C@@H]2CCCCO2)c1C ZINC001165228531 965993241 /nfs/dbraw/zinc/99/32/41/965993241.db2.gz CJCYIZZWUMRLGQ-LBPRGKRZSA-N 1 2 220.316 2.679 20 0 BFADLO COc1ccc(C)[nH+]c1N1CCC12CCCC2 ZINC001165277777 966022685 /nfs/dbraw/zinc/02/26/85/966022685.db2.gz PDLMOXSXWPPOKV-UHFFFAOYSA-N 1 2 232.327 2.922 20 0 BFADLO CCOCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919143304 966297302 /nfs/dbraw/zinc/29/73/02/966297302.db2.gz GQYBAGSGQXNIGL-UHFFFAOYSA-N 1 2 244.338 2.901 20 0 BFADLO CSc1cc[nH+]c(N2CCn3cccc3C2)c1 ZINC001166602401 966324141 /nfs/dbraw/zinc/32/41/41/966324141.db2.gz VTMRGWGARAECBH-UHFFFAOYSA-N 1 2 245.351 2.625 20 0 BFADLO Cc1ncc2ccc(-c3ccc(N)[nH+]c3)cc2n1 ZINC001236313761 966362719 /nfs/dbraw/zinc/36/27/19/966362719.db2.gz WNKJPCZLKRUMIF-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CC(=CC(=O)OC(C)C)Nc1[nH+]ccc(C)c1C ZINC001166728551 966380296 /nfs/dbraw/zinc/38/02/96/966380296.db2.gz OHQCZQBEPVHJPN-FLIBITNWSA-N 1 2 248.326 2.966 20 0 BFADLO CC(C)c1ccc(N2CCC[C@@H](CCO)C2)[nH+]c1 ZINC001166847407 966432216 /nfs/dbraw/zinc/43/22/16/966432216.db2.gz HMXCOJRTRLKGAI-ZDUSSCGKSA-N 1 2 248.370 2.804 20 0 BFADLO CC(C)c1ccc(N2CCC(=O)C[C@@H]2C)[nH+]c1 ZINC001166933076 966446397 /nfs/dbraw/zinc/44/63/97/966446397.db2.gz YGFHEGODXUCTBX-NSHDSACASA-N 1 2 232.327 2.763 20 0 BFADLO CO[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C)n2)C1 ZINC001166952372 966476957 /nfs/dbraw/zinc/47/69/57/966476957.db2.gz RRYYYNWASPFVSM-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(F)c(N)c2)[nH+]1 ZINC001212329943 966490246 /nfs/dbraw/zinc/49/02/46/966490246.db2.gz AWERKSPHRFGDGN-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Nc1cc(Nc2cccn3cc[nH+]c23)ccc1F ZINC001212330864 966490291 /nfs/dbraw/zinc/49/02/91/966490291.db2.gz XFXJBTBBLORDSV-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)C[C@H](C)O1 ZINC001166969130 966494600 /nfs/dbraw/zinc/49/46/00/966494600.db2.gz HBINBYRCFKCXGP-QWRGUYRKSA-N 1 2 232.327 2.573 20 0 BFADLO Cc1cncc(C[N@@H+]2Cc3cccc(C)c3C2)n1 ZINC001203161774 966534852 /nfs/dbraw/zinc/53/48/52/966534852.db2.gz MJXXQQXPVSCJAY-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cncc(C[N@H+]2Cc3cccc(C)c3C2)n1 ZINC001203161774 966534865 /nfs/dbraw/zinc/53/48/65/966534865.db2.gz MJXXQQXPVSCJAY-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CNc1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC001203447582 966646829 /nfs/dbraw/zinc/64/68/29/966646829.db2.gz MBOVUJVMWMHXBC-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2nnc(C(C)(C)C)o2)c[nH+]1 ZINC001203447603 966650103 /nfs/dbraw/zinc/65/01/03/966650103.db2.gz MIHNFNDQTMIVID-UHFFFAOYSA-N 1 2 247.302 2.547 20 0 BFADLO Cc1cc(C)[nH+]c(Nc2ccc(N)nc2F)c1 ZINC001203608074 966701971 /nfs/dbraw/zinc/70/19/71/966701971.db2.gz UHVLRMLRIAFEDJ-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nccs2)c1 ZINC001203653106 966718584 /nfs/dbraw/zinc/71/85/84/966718584.db2.gz HBWQUNBENYVVLE-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2c(C)ncnc2C)c1 ZINC001203656065 966720249 /nfs/dbraw/zinc/72/02/49/966720249.db2.gz KGCRBANTCDMQSR-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO COC(=O)c1occc1Nc1cc(C)c[nH+]c1C ZINC001203656612 966723670 /nfs/dbraw/zinc/72/36/70/966723670.db2.gz XHELAROLZMALRR-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncncc2C)c1 ZINC001203661657 966729280 /nfs/dbraw/zinc/72/92/80/966729280.db2.gz YEUAPOIVDYPXGS-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cc(N)ccc2O)c1 ZINC001203663200 966730662 /nfs/dbraw/zinc/73/06/62/966730662.db2.gz CWGYGPPVLAQAJE-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCn1cnc(Nc2cc(C)c[nH+]c2C)c1 ZINC001203660800 966731251 /nfs/dbraw/zinc/73/12/51/966731251.db2.gz NCTLUYLOTRGNHK-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CNc1ccc(Nc2cccc3c2OCO3)c[nH+]1 ZINC001203455625 966741426 /nfs/dbraw/zinc/74/14/26/966741426.db2.gz VUTHUBLGKITUMW-UHFFFAOYSA-N 1 2 243.266 2.596 20 0 BFADLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1COC1 ZINC001203802646 966785024 /nfs/dbraw/zinc/78/50/24/966785024.db2.gz RBYIZIMUIZPZOZ-UHFFFAOYSA-N 1 2 246.137 2.824 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1COC1 ZINC001203802646 966785039 /nfs/dbraw/zinc/78/50/39/966785039.db2.gz RBYIZIMUIZPZOZ-UHFFFAOYSA-N 1 2 246.137 2.824 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000691298731 966789050 /nfs/dbraw/zinc/78/90/50/966789050.db2.gz ZVWZWDODHWWBNO-UKRRQHHQSA-N 1 2 246.354 2.732 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001204010685 966846741 /nfs/dbraw/zinc/84/67/41/966846741.db2.gz UHZZXFYIMIIPOC-HNNXBMFYSA-N 1 2 242.322 2.588 20 0 BFADLO c1c[nH]c(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001204010685 966846748 /nfs/dbraw/zinc/84/67/48/966846748.db2.gz UHZZXFYIMIIPOC-HNNXBMFYSA-N 1 2 242.322 2.588 20 0 BFADLO CCCCOC1C[NH+](Cc2cccs2)C1 ZINC001204015066 966854113 /nfs/dbraw/zinc/85/41/13/966854113.db2.gz CEKUYZOAUXFXRY-UHFFFAOYSA-N 1 2 225.357 2.749 20 0 BFADLO Cc1cccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)n1 ZINC001204067014 966876758 /nfs/dbraw/zinc/87/67/58/966876758.db2.gz IMMUPCXDXRKSGV-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)n1 ZINC001204067014 966876767 /nfs/dbraw/zinc/87/67/67/966876767.db2.gz IMMUPCXDXRKSGV-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001204146824 966903475 /nfs/dbraw/zinc/90/34/75/966903475.db2.gz SEJUOKGENRJOLZ-CHWSQXEVSA-N 1 2 249.379 2.772 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc1 ZINC001204146824 966903477 /nfs/dbraw/zinc/90/34/77/966903477.db2.gz SEJUOKGENRJOLZ-CHWSQXEVSA-N 1 2 249.379 2.772 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3(CCC3)C2)c1 ZINC001204217590 966928575 /nfs/dbraw/zinc/92/85/75/966928575.db2.gz UXYOPNUQELIBAV-UHFFFAOYSA-N 1 2 223.266 2.951 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001204220529 966930382 /nfs/dbraw/zinc/93/03/82/966930382.db2.gz COUBCCLYVUQBBX-UHFFFAOYSA-N 1 2 241.306 2.514 20 0 BFADLO O=C1CC[N@H+](Cc2ccoc2)[C@@H]2CCCC[C@H]12 ZINC001204241192 966938786 /nfs/dbraw/zinc/93/87/86/966938786.db2.gz ZTQYMGQEZAFVOZ-QWHCGFSZSA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccoc2)[C@@H]2CCCC[C@H]12 ZINC001204241192 966938794 /nfs/dbraw/zinc/93/87/94/966938794.db2.gz ZTQYMGQEZAFVOZ-QWHCGFSZSA-N 1 2 233.311 2.613 20 0 BFADLO COC1CCC(Nc2cc3cc[nH]c3c[nH+]2)CC1 ZINC001168602723 966969849 /nfs/dbraw/zinc/96/98/49/966969849.db2.gz WYDLVXVOECYSLK-UHFFFAOYSA-N 1 2 245.326 2.932 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cncs2)o1 ZINC001204394031 966992996 /nfs/dbraw/zinc/99/29/96/966992996.db2.gz IFJUKEWVLBDODP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cncs2)o1 ZINC001204394031 966993004 /nfs/dbraw/zinc/99/30/04/966993004.db2.gz IFJUKEWVLBDODP-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO Cc1cc(-c2ccncc2)c2[nH+]ccn2c1 ZINC001239610643 967041091 /nfs/dbraw/zinc/04/10/91/967041091.db2.gz UUZKYWPRFMARAJ-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnc(N)c(F)c1 ZINC001249759597 967048150 /nfs/dbraw/zinc/04/81/50/967048150.db2.gz FVEYHKMSNHYGIH-UHFFFAOYSA-N 1 2 246.289 2.812 20 0 BFADLO COc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2C)ccc1F ZINC001204557288 967048876 /nfs/dbraw/zinc/04/88/76/967048876.db2.gz SOEPNLICLOBKMF-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(C[N@H+]2C[C@@H](F)C[C@H]2C)ccc1F ZINC001204557288 967048886 /nfs/dbraw/zinc/04/88/86/967048886.db2.gz SOEPNLICLOBKMF-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)C(C)(C)C ZINC000162843528 967114479 /nfs/dbraw/zinc/11/44/79/967114479.db2.gz AYNYNZXQWZEIFW-VIFPVBQESA-N 1 2 208.305 2.937 20 0 BFADLO Cc1cc(C)c(CC(=O)C(C)(C)C)c[nH+]1 ZINC001249917628 967159477 /nfs/dbraw/zinc/15/94/77/967159477.db2.gz IHADREZQSIBZTB-UHFFFAOYSA-N 1 2 205.301 2.856 20 0 BFADLO Cc1cc(C2=CCCC2)c[nH+]c1N1CCOCC1 ZINC001239786152 967172608 /nfs/dbraw/zinc/17/26/08/967172608.db2.gz FZFFZBGBPXQKJL-UHFFFAOYSA-N 1 2 244.338 2.794 20 0 BFADLO Fc1c[nH+]ccc1N[C@H]1CCNc2ccccc21 ZINC001168648096 967208291 /nfs/dbraw/zinc/20/82/91/967208291.db2.gz ZOASKBPQJVTNIY-ZDUSSCGKSA-N 1 2 243.285 2.611 20 0 BFADLO Cc1ccc(Nc2ccn3cc[nH+]c3c2)nc1 ZINC001204942804 967243225 /nfs/dbraw/zinc/24/32/25/967243225.db2.gz AGDFJKGDTJXABI-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CC(C)n1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001204959164 967253857 /nfs/dbraw/zinc/25/38/57/967253857.db2.gz GYFJEBJAZGGFJI-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO c1cn2ccc(Nc3cnsc3)cc2[nH+]1 ZINC001204965873 967268187 /nfs/dbraw/zinc/26/81/87/967268187.db2.gz JEVLSVBTNLNUST-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO CNC(=O)c1cccc(-c2c(C)cc[nH+]c2C)c1 ZINC001240015433 967277039 /nfs/dbraw/zinc/27/70/39/967277039.db2.gz DANHMAZJBAERAD-UHFFFAOYSA-N 1 2 240.306 2.725 20 0 BFADLO CCN(C)c1cc(N[C@@H](C)C(C)(C)C)[nH+]cn1 ZINC001168683780 967310878 /nfs/dbraw/zinc/31/08/78/967310878.db2.gz UUDWVROCBXEXLM-JTQLQIEISA-N 1 2 236.363 2.779 20 0 BFADLO CCN(C)c1cc(N[C@@H](C)C(C)(C)C)nc[nH+]1 ZINC001168683780 967310883 /nfs/dbraw/zinc/31/08/83/967310883.db2.gz UUDWVROCBXEXLM-JTQLQIEISA-N 1 2 236.363 2.779 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)c(C)cc1CO ZINC001250057623 967320733 /nfs/dbraw/zinc/32/07/33/967320733.db2.gz BDFOKLKWLMIJLS-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H](F)[C@@H](F)C2)c1C ZINC001205067012 967322481 /nfs/dbraw/zinc/32/24/81/967322481.db2.gz JYCQFEBZVJIRIS-BETUJISGSA-N 1 2 225.282 2.795 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](F)C2)c1C ZINC001205067012 967322497 /nfs/dbraw/zinc/32/24/97/967322497.db2.gz JYCQFEBZVJIRIS-BETUJISGSA-N 1 2 225.282 2.795 20 0 BFADLO CCn1c[nH+]cc1CN1c2ccccc2C[C@H]1C ZINC001205143450 967386718 /nfs/dbraw/zinc/38/67/18/967386718.db2.gz LRXJSCHUCKPBHI-GFCCVEGCSA-N 1 2 241.338 2.854 20 0 BFADLO COc1cc(F)c(C)cc1C[N@H+](C)CCF ZINC001250118393 967404999 /nfs/dbraw/zinc/40/49/99/967404999.db2.gz ZOYUTJBSYMPDRI-UHFFFAOYSA-N 1 2 229.270 2.544 20 0 BFADLO COc1cc(F)c(C)cc1C[N@@H+](C)CCF ZINC001250118393 967405004 /nfs/dbraw/zinc/40/50/04/967405004.db2.gz ZOYUTJBSYMPDRI-UHFFFAOYSA-N 1 2 229.270 2.544 20 0 BFADLO Cn1cnc2cc(-c3ccc4[nH+]ccn4c3)ccc21 ZINC001240217620 967426800 /nfs/dbraw/zinc/42/68/00/967426800.db2.gz KBLQFSIFQAQCCC-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1ccnn1CC ZINC001205268688 967460229 /nfs/dbraw/zinc/46/02/29/967460229.db2.gz UCSKIQSLMUFFMC-UHFFFAOYSA-N 1 2 230.315 2.912 20 0 BFADLO c1cncc(Cc2ccc[nH+]c2N2CCCC2)c1 ZINC001250170194 967469409 /nfs/dbraw/zinc/46/94/09/967469409.db2.gz MNUONTZFEDEPNH-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO c1cn(Cc2ccc(Cc3cccnc3)cc2)c[nH+]1 ZINC001250171060 967473807 /nfs/dbraw/zinc/47/38/07/967473807.db2.gz NWXHEATXEBPKOP-UHFFFAOYSA-N 1 2 249.317 2.917 20 0 BFADLO Cc1nc(Cc2ccc(N(C)C)[nH+]c2)cs1 ZINC001250195923 967508271 /nfs/dbraw/zinc/50/82/71/967508271.db2.gz XLDVEXFPYRHORY-UHFFFAOYSA-N 1 2 233.340 2.503 20 0 BFADLO Clc1ccsc1C[NH+]1CC2(CSC2)C1 ZINC001205353672 967576266 /nfs/dbraw/zinc/57/62/66/967576266.db2.gz GIAJRLOVJKQXTE-UHFFFAOYSA-N 1 2 245.800 2.950 20 0 BFADLO COc1cccc(Cc2ccn3cc[nH+]c3c2)c1 ZINC001250264422 967580097 /nfs/dbraw/zinc/58/00/97/967580097.db2.gz UZPBAJZJFBGCHU-UHFFFAOYSA-N 1 2 238.290 2.934 20 0 BFADLO CCOc1cc(C[NH+]2CC(C)C2)c(Cl)cn1 ZINC001250304159 967654397 /nfs/dbraw/zinc/65/43/97/967654397.db2.gz BGTOGDFWTNLXCO-UHFFFAOYSA-N 1 2 240.734 2.585 20 0 BFADLO c1cn(CCc2ccnc3ccccc23)c[nH+]1 ZINC001250315875 967679600 /nfs/dbraw/zinc/67/96/00/967679600.db2.gz VRXUPUCBKGNHEG-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO Cc1cc(CCn2cc[nH+]c2)ccc1F ZINC001250316250 967681825 /nfs/dbraw/zinc/68/18/25/967681825.db2.gz FEKDPVHQGDNLOH-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO Oc1ccc2cc(CCn3cc[nH+]c3)ccc2c1 ZINC001250316306 967682636 /nfs/dbraw/zinc/68/26/36/967682636.db2.gz IBEZEAPMHSUVBG-UHFFFAOYSA-N 1 2 238.290 2.985 20 0 BFADLO CC(C)n1ccc(CCn2cc[nH+]c2)c1 ZINC001250316728 967685291 /nfs/dbraw/zinc/68/52/91/967685291.db2.gz UZDYUTVNUOSYHL-UHFFFAOYSA-N 1 2 203.289 2.508 20 0 BFADLO FC(F)Oc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250318345 967685501 /nfs/dbraw/zinc/68/55/01/967685501.db2.gz CWWIZENWPZTSGC-UHFFFAOYSA-N 1 2 238.237 2.727 20 0 BFADLO CSc1cc(F)cc(CCn2cc[nH+]c2)c1 ZINC001250319206 967693204 /nfs/dbraw/zinc/69/32/04/967693204.db2.gz AWWJBZHSMXSATM-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO Cc1cc(OC(C)C)ncc1CCn1cc[nH+]c1 ZINC001250321095 967699270 /nfs/dbraw/zinc/69/92/70/967699270.db2.gz WHIFTRCRJROWBV-UHFFFAOYSA-N 1 2 245.326 2.616 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(NC)nc1 ZINC001203448661 967725233 /nfs/dbraw/zinc/72/52/33/967725233.db2.gz FBBWSQLLGMHDTO-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO Fc1ccc(NC2CC(F)C2)cc1-n1cc[nH+]c1 ZINC001162216981 967751850 /nfs/dbraw/zinc/75/18/50/967751850.db2.gz IPDFBOBSQQHXRZ-UHFFFAOYSA-N 1 2 249.264 2.924 20 0 BFADLO CCCOc1ccc2[nH+]c(CC)n(C)c2c1 ZINC001250426929 967842915 /nfs/dbraw/zinc/84/29/15/967842915.db2.gz WXEMRBJVNAFRON-UHFFFAOYSA-N 1 2 218.300 2.925 20 0 BFADLO Fc1cccc(CCC[N@@H+]2C[C@@H](F)[C@@H](F)C2)c1 ZINC000296345860 967848569 /nfs/dbraw/zinc/84/85/69/967848569.db2.gz RLSAHNXLRMWWGH-BETUJISGSA-N 1 2 243.272 2.750 20 0 BFADLO Fc1cccc(CCC[N@H+]2C[C@@H](F)[C@@H](F)C2)c1 ZINC000296345860 967848571 /nfs/dbraw/zinc/84/85/71/967848571.db2.gz RLSAHNXLRMWWGH-BETUJISGSA-N 1 2 243.272 2.750 20 0 BFADLO Cc1ncc(-c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001205854741 967857211 /nfs/dbraw/zinc/85/72/11/967857211.db2.gz TVVCNAZYNSYNML-UHFFFAOYSA-N 1 2 236.278 2.638 20 0 BFADLO Cc1ccnc(F)c1Nc1cccn2cc[nH+]c12 ZINC001212554612 967871451 /nfs/dbraw/zinc/87/14/51/967871451.db2.gz DYKHELBMYRBYFG-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2C=CCC2)c(C)[nH+]1 ZINC001205898403 967877363 /nfs/dbraw/zinc/87/73/63/967877363.db2.gz AQEADZWLHWTLCG-GFCCVEGCSA-N 1 2 245.326 2.847 20 0 BFADLO Cc1c[nH+]cc(NCc2cccn2C)c1C ZINC001162711214 967894901 /nfs/dbraw/zinc/89/49/01/967894901.db2.gz CPCZFCRUEQONJN-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO COc1cc2[nH+]c([C@H]3CCCOC3)[nH]c2cc1C ZINC001250550467 968056152 /nfs/dbraw/zinc/05/61/52/968056152.db2.gz BVYXJGVVQDVERQ-JTQLQIEISA-N 1 2 246.310 2.774 20 0 BFADLO COc1cc2[nH+]c([C@@H]3CCCOC3)[nH]c2cc1C ZINC001250550468 968057058 /nfs/dbraw/zinc/05/70/58/968057058.db2.gz BVYXJGVVQDVERQ-SNVBAGLBSA-N 1 2 246.310 2.774 20 0 BFADLO COc1ccc2c(c1)[nH+]c(CC1CC1)n2C ZINC001250572872 968093359 /nfs/dbraw/zinc/09/33/59/968093359.db2.gz LIEFOKGOHLMKOD-UHFFFAOYSA-N 1 2 216.284 2.534 20 0 BFADLO C[C@@H]1C[C@@H]1c1[nH]c2cc3c(cc2[nH+]1)OCC3 ZINC001250613959 968160755 /nfs/dbraw/zinc/16/07/55/968160755.db2.gz GBQNTWMLROEMBR-APPZFPTMSA-N 1 2 214.268 2.621 20 0 BFADLO Cn1c2ccccc2nc1-c1ccc2[nH+]ccn2c1 ZINC001250978325 968234640 /nfs/dbraw/zinc/23/46/40/968234640.db2.gz HPJUVXQTKICSND-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO COc1cnccc1C[N@H+](C)Cc1ccsc1 ZINC001206479978 968330142 /nfs/dbraw/zinc/33/01/42/968330142.db2.gz CYRIIGDXAFDTRS-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cnccc1C[N@@H+](C)Cc1ccsc1 ZINC001206479978 968330146 /nfs/dbraw/zinc/33/01/46/968330146.db2.gz CYRIIGDXAFDTRS-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO Cc1ccc(-c2cc3n[nH]cc3c(F)c2)[nH+]c1N ZINC001206557569 968380660 /nfs/dbraw/zinc/38/06/60/968380660.db2.gz LQSFZZUYXPMUPI-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO CC(=CC=C[NH3+])c1cc2n[nH]cc2c(F)c1 ZINC001206579746 968398785 /nfs/dbraw/zinc/39/87/85/968398785.db2.gz XLGYJCDIXJAZDM-BVOBWIRXSA-N 1 2 217.247 2.578 20 0 BFADLO CNc1cc(-c2cc3n[nH]cc3c(F)c2)cc[nH+]1 ZINC001206602651 968411445 /nfs/dbraw/zinc/41/14/45/968411445.db2.gz RNDRSHWPBBQMGT-UHFFFAOYSA-N 1 2 242.257 2.806 20 0 BFADLO COC1CC(CNc2c[nH+]cc3c2CCCC3)C1 ZINC001206635976 968427731 /nfs/dbraw/zinc/42/77/31/968427731.db2.gz JHBIVLSGZPRNTK-UHFFFAOYSA-N 1 2 246.354 2.797 20 0 BFADLO Cc1ccnc(C[N@@H+]2CCc3occc3C2)c1 ZINC001206852952 968499771 /nfs/dbraw/zinc/49/97/71/968499771.db2.gz JWSZASIVQBQYEB-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccnc(C[N@H+]2CCc3occc3C2)c1 ZINC001206852952 968499774 /nfs/dbraw/zinc/49/97/74/968499774.db2.gz JWSZASIVQBQYEB-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CCCC[C@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252082999 968506635 /nfs/dbraw/zinc/50/66/35/968506635.db2.gz LEIWIVPCSRJCGE-LBPRGKRZSA-N 1 2 236.359 2.915 20 0 BFADLO C[N@H+](Cc1ccccc1)Cc1ncccc1F ZINC001207027122 968562416 /nfs/dbraw/zinc/56/24/16/968562416.db2.gz VUEURYYOUMJKTO-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO C[N@@H+](Cc1ccccc1)Cc1ncccc1F ZINC001207027122 968562426 /nfs/dbraw/zinc/56/24/26/968562426.db2.gz VUEURYYOUMJKTO-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO Cc1cnccc1-c1cc[nH+]c(N(C)C)c1 ZINC001240610999 968569280 /nfs/dbraw/zinc/56/92/80/968569280.db2.gz QSVZMNMEDLPFEH-UHFFFAOYSA-N 1 2 213.284 2.518 20 0 BFADLO CC1CC(N(C)Cc2[nH+]cc3ccccn32)C1 ZINC001207048946 968582100 /nfs/dbraw/zinc/58/21/00/968582100.db2.gz LEPVVIJLDLHMRK-UHFFFAOYSA-N 1 2 229.327 2.565 20 0 BFADLO Cc1cc(NCC(C)(C)O)c2ccsc2[nH+]1 ZINC001252348183 968626143 /nfs/dbraw/zinc/62/61/43/968626143.db2.gz FKPKRUJKTOEOKC-UHFFFAOYSA-N 1 2 236.340 2.788 20 0 BFADLO Cc1ncccc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001207147701 968655326 /nfs/dbraw/zinc/65/53/26/968655326.db2.gz HRDYXAAUFJMGJO-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ncccc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001207147701 968655331 /nfs/dbraw/zinc/65/53/31/968655331.db2.gz HRDYXAAUFJMGJO-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1nc(NC2CC(F)C2)cc(C(C)C)[nH+]1 ZINC001154833135 968686890 /nfs/dbraw/zinc/68/68/90/968686890.db2.gz PPXBTINTKUGJBR-UHFFFAOYSA-N 1 2 223.295 2.821 20 0 BFADLO C[C@H]1CC(=O)CC[N@@H+]1CCCc1ccccc1F ZINC001207490053 968802574 /nfs/dbraw/zinc/80/25/74/968802574.db2.gz KLTRNQWHRSJTBE-LBPRGKRZSA-N 1 2 249.329 2.812 20 0 BFADLO C[C@H]1CC(=O)CC[N@H+]1CCCc1ccccc1F ZINC001207490053 968802579 /nfs/dbraw/zinc/80/25/79/968802579.db2.gz KLTRNQWHRSJTBE-LBPRGKRZSA-N 1 2 249.329 2.812 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@@H+]1CCc1ccc(F)cc1 ZINC001207511999 968812594 /nfs/dbraw/zinc/81/25/94/968812594.db2.gz XUJWFIXKBXGPBP-STQMWFEESA-N 1 2 243.272 2.750 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@H+]1CCc1ccc(F)cc1 ZINC001207511999 968812595 /nfs/dbraw/zinc/81/25/95/968812595.db2.gz XUJWFIXKBXGPBP-STQMWFEESA-N 1 2 243.272 2.750 20 0 BFADLO CC[C@@H]1COC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000829421708 968828502 /nfs/dbraw/zinc/82/85/02/968828502.db2.gz WWHUVHFNUFRFNV-RISCZKNCSA-N 1 2 234.343 2.590 20 0 BFADLO CCCc1ccc(NC(=[NH2+])C(C)(C)C)nn1 ZINC001155181859 968918815 /nfs/dbraw/zinc/91/88/15/968918815.db2.gz UKSRQRFWFRLKLF-UHFFFAOYSA-N 1 2 220.320 2.864 20 0 BFADLO Cc1ccc(CCC[N@@H+]2C[C@@H](F)C[C@H]2CF)o1 ZINC001207944954 968939785 /nfs/dbraw/zinc/93/97/85/968939785.db2.gz VPCPOFJUJDLMKA-RYUDHWBXSA-N 1 2 243.297 2.903 20 0 BFADLO Cc1ccc(CCC[N@H+]2C[C@@H](F)C[C@H]2CF)o1 ZINC001207944954 968939790 /nfs/dbraw/zinc/93/97/90/968939790.db2.gz VPCPOFJUJDLMKA-RYUDHWBXSA-N 1 2 243.297 2.903 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N)c2)c2cc[nH]c21 ZINC001241170555 968943433 /nfs/dbraw/zinc/94/34/33/968943433.db2.gz NUYDINMGWDOQEH-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO COc1ncc(-c2cc(C)c3[nH+]ccn3c2)s1 ZINC001241414225 969000097 /nfs/dbraw/zinc/00/00/97/969000097.db2.gz VFAKFUNNBIFAAE-UHFFFAOYSA-N 1 2 245.307 2.775 20 0 BFADLO CC/C=C\CCC[N@@H+]1Cc2cncnc2C1 ZINC001208132936 969027643 /nfs/dbraw/zinc/02/76/43/969027643.db2.gz YKRZYASXFQLGMD-ARJAWSKDSA-N 1 2 217.316 2.539 20 0 BFADLO CS[C@@H](C)CC[NH+]1CC(F)(C2CC2)C1 ZINC001208137132 969050160 /nfs/dbraw/zinc/05/01/60/969050160.db2.gz CRZCNVUHNDDGQC-VIFPVBQESA-N 1 2 217.353 2.562 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCC(C)=C[C@H]2C)no1 ZINC001208161782 969087346 /nfs/dbraw/zinc/08/73/46/969087346.db2.gz ODAGKLBGJQGKCL-DGCLKSJQSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCC(C)=C[C@H]2C)no1 ZINC001208161782 969087355 /nfs/dbraw/zinc/08/73/55/969087355.db2.gz ODAGKLBGJQGKCL-DGCLKSJQSA-N 1 2 249.358 2.802 20 0 BFADLO COc1cc[nH+]cc1-c1cc(C)c(N)c(C)c1 ZINC001241883985 969128263 /nfs/dbraw/zinc/12/82/63/969128263.db2.gz SYKIWBHFNSABAW-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO CC[N@H+](Cc1ccno1)Cc1ccccc1F ZINC001253303937 969133100 /nfs/dbraw/zinc/13/31/00/969133100.db2.gz LGUMBJQZORGZAR-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1ccno1)Cc1ccccc1F ZINC001253303937 969133105 /nfs/dbraw/zinc/13/31/05/969133105.db2.gz LGUMBJQZORGZAR-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO COc1c[nH+]c(NCCCSC)c(C)c1 ZINC001155976428 969135960 /nfs/dbraw/zinc/13/59/60/969135960.db2.gz OXVPFUUOWUIOJY-UHFFFAOYSA-N 1 2 226.345 2.564 20 0 BFADLO Cc1cc(-c2[nH]cc[nH+]2)cc(C)c1N(C)C ZINC001242018680 969173651 /nfs/dbraw/zinc/17/36/51/969173651.db2.gz TVLLIQMGEFOQHI-UHFFFAOYSA-N 1 2 215.300 2.760 20 0 BFADLO CCCCC[C@@H](O)CNc1cccc2[nH+]ccn21 ZINC001253523327 969199925 /nfs/dbraw/zinc/19/99/25/969199925.db2.gz XDOGZLUYLUFOSU-GFCCVEGCSA-N 1 2 247.342 2.687 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C2=CCOCC2)cc1 ZINC001242077137 969200533 /nfs/dbraw/zinc/20/05/33/969200533.db2.gz MESRQTUGGDGLGX-UHFFFAOYSA-N 1 2 240.306 2.891 20 0 BFADLO CCN(C)c1cc(NCCC2CCC2)[nH+]cn1 ZINC001168887172 969263555 /nfs/dbraw/zinc/26/35/55/969263555.db2.gz UMPAYTRSGXJJEQ-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CCN(C)c1cc(NCCC2CCC2)nc[nH+]1 ZINC001168887172 969263565 /nfs/dbraw/zinc/26/35/65/969263565.db2.gz UMPAYTRSGXJJEQ-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CCOC(C)(C)C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209066805 969343602 /nfs/dbraw/zinc/34/36/02/969343602.db2.gz NOOQPBIGJDTQHZ-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO CCOC(C)(C)C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC001209066805 969343604 /nfs/dbraw/zinc/34/36/04/969343604.db2.gz NOOQPBIGJDTQHZ-JTQLQIEISA-N 1 2 235.318 2.779 20 0 BFADLO Fc1cc(F)cc(CC[N@H+]2CC[C@H](F)C2)c1 ZINC001209128505 969350418 /nfs/dbraw/zinc/35/04/18/969350418.db2.gz OPUANOOJAPEURG-JTQLQIEISA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cc(F)cc(CC[N@@H+]2CC[C@H](F)C2)c1 ZINC001209128505 969350427 /nfs/dbraw/zinc/35/04/27/969350427.db2.gz OPUANOOJAPEURG-JTQLQIEISA-N 1 2 229.245 2.551 20 0 BFADLO CC(C)[C@@H](O)CNc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001253773978 969393950 /nfs/dbraw/zinc/39/39/50/969393950.db2.gz ZYZBOMWLXTZTRU-ZDUSSCGKSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1cc2cc(N[C@H]3CCC[C@@H](O)C3)[nH+]cc2[nH]1 ZINC001169247234 969535330 /nfs/dbraw/zinc/53/53/30/969535330.db2.gz ONFRSESJZWILNR-NWDGAFQWSA-N 1 2 245.326 2.587 20 0 BFADLO c1coc(C[N@H+](Cc2cncs2)C2CC2)c1 ZINC001209549720 969537669 /nfs/dbraw/zinc/53/76/69/969537669.db2.gz GGRLKKGRFOZNAH-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1coc(C[N@@H+](Cc2cncs2)C2CC2)c1 ZINC001209549720 969537676 /nfs/dbraw/zinc/53/76/76/969537676.db2.gz GGRLKKGRFOZNAH-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO Cc1ccc(CCCNc2cc[nH+]c(C)n2)cn1 ZINC001169259760 969548861 /nfs/dbraw/zinc/54/88/61/969548861.db2.gz QCQCEEWKOBWLET-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccon2)cn1 ZINC001209567358 969549840 /nfs/dbraw/zinc/54/98/40/969549840.db2.gz GCNUJQMLIRTSTH-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccon2)cn1 ZINC001209567358 969549846 /nfs/dbraw/zinc/54/98/46/969549846.db2.gz GCNUJQMLIRTSTH-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Fc1c[nH+]ccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169284722 969553608 /nfs/dbraw/zinc/55/36/08/969553608.db2.gz BWKKCJIWLQUCJM-JTQLQIEISA-N 1 2 248.223 2.786 20 0 BFADLO COc1c(Cl)ccc(C[NH+]2CC(C)C2)c1F ZINC001209698730 969573761 /nfs/dbraw/zinc/57/37/61/969573761.db2.gz LIGOUOACZCZXSQ-UHFFFAOYSA-N 1 2 243.709 2.939 20 0 BFADLO Cc1cc(O)cnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841318 969648459 /nfs/dbraw/zinc/64/84/59/969648459.db2.gz IXHOVLRTGRGGLM-UHFFFAOYSA-N 1 2 240.266 2.716 20 0 BFADLO COc1cc(C)c(Nc2cccc(C)[nH+]2)cn1 ZINC001209866643 969672748 /nfs/dbraw/zinc/67/27/48/969672748.db2.gz LDNRLAMDJJVMGH-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CCOC(=O)C1(CNc2ccc[nH+]c2C)CCC1 ZINC001169560966 969756771 /nfs/dbraw/zinc/75/67/71/969756771.db2.gz KAQAFGYJMOANPG-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO c1cnnc(Nc2ccc3c[nH+]ccc3c2)c1 ZINC001210044369 969774109 /nfs/dbraw/zinc/77/41/09/969774109.db2.gz OWHVZUCJAKGPEX-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO CO[C@@H](C)CNc1cc[nH+]c(OCC(C)C)c1 ZINC001169778456 969842257 /nfs/dbraw/zinc/84/22/57/969842257.db2.gz PXJYFVAVAABQCD-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO Cc1[nH+]cc(Nc2ccccc2F)cc1N ZINC001210288981 969855827 /nfs/dbraw/zinc/85/58/27/969855827.db2.gz YTELHWMYXWDBGY-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO COc1cccc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288375 969856483 /nfs/dbraw/zinc/85/64/83/969856483.db2.gz OWMAXLNENYZOCU-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1ccc(Nc2c[nH+]c(C)c(N)c2)cc1F ZINC001210288330 969856554 /nfs/dbraw/zinc/85/65/54/969856554.db2.gz MLOXMGKVCNVEDM-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1ccc(F)c(Nc2c[nH+]c(C)c(N)c2)n1 ZINC001210289151 969857782 /nfs/dbraw/zinc/85/77/82/969857782.db2.gz XAEUGYJHFSSWSC-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1ccc(CO)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210290661 969859134 /nfs/dbraw/zinc/85/91/34/969859134.db2.gz CVQQTEZLKPAFDH-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO Cc1cccc(N)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210291302 969860071 /nfs/dbraw/zinc/86/00/71/969860071.db2.gz ZLLSFVWBGOAKGX-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO COc1cccc(Nc2c[nH+]c(C)c(N)c2)c1F ZINC001210290182 969860143 /nfs/dbraw/zinc/86/01/43/969860143.db2.gz FUMMULJLLARRQW-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1cn2c(cccc2-c2cnc(C)c(N)c2)[nH+]1 ZINC001242410333 969921607 /nfs/dbraw/zinc/92/16/07/969921607.db2.gz VBSNWEBTXGJTKW-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1oncc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001210578676 969954665 /nfs/dbraw/zinc/95/46/65/969954665.db2.gz NDJBXVBQKHSWCI-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO Cc1c[nH+]c(Nc2c[nH]c(=O)c(F)c2)c(C)c1 ZINC001210600015 969973360 /nfs/dbraw/zinc/97/33/60/969973360.db2.gz VCFBIQFNGMUFRT-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO c1cn2c(cccc2-c2nnc(C3CCC3)o2)[nH+]1 ZINC001255173819 969988329 /nfs/dbraw/zinc/98/83/29/969988329.db2.gz AEINXGCDVBKRRH-UHFFFAOYSA-N 1 2 240.266 2.652 20 0 BFADLO C[C@H](O)c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001242543968 969995356 /nfs/dbraw/zinc/99/53/56/969995356.db2.gz LIXOJPAHOPUCQI-VIFPVBQESA-N 1 2 239.278 2.630 20 0 BFADLO COc1cc(Nc2c(C)ncnc2C)cc(C)[nH+]1 ZINC001210779014 970028061 /nfs/dbraw/zinc/02/80/61/970028061.db2.gz BOCKBGMCMOTEIB-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO CCCn1nccc1Nc1cccc(C)[nH+]1 ZINC001210912259 970065216 /nfs/dbraw/zinc/06/52/16/970065216.db2.gz HBSQZKMMVMPYRC-UHFFFAOYSA-N 1 2 216.288 2.740 20 0 BFADLO CCCC[C@@H](C)[NH2+]CC(=O)OCc1ccccc1 ZINC001255312728 970080098 /nfs/dbraw/zinc/08/00/98/970080098.db2.gz VLQROAVFWXSXQT-CYBMUJFWSA-N 1 2 249.354 2.898 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(C)cn1 ZINC001211010548 970112239 /nfs/dbraw/zinc/11/22/39/970112239.db2.gz RJFQTURMSGPQDF-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO Cc1ccc(Nc2cc(C(N)=O)ccc2C)[nH+]c1 ZINC001211011811 970112516 /nfs/dbraw/zinc/11/25/16/970112516.db2.gz CLHWHSQCMDFCRH-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO COc1cc(CO)cc(Nc2ccc(C)c[nH+]2)c1 ZINC001211012909 970116785 /nfs/dbraw/zinc/11/67/85/970116785.db2.gz NZKZYZXCBKVTBB-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO Cc1ccc(Nc2cc(F)c(F)cc2N)[nH+]c1 ZINC001211013952 970117324 /nfs/dbraw/zinc/11/73/24/970117324.db2.gz OALXQNZSQJCCPO-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO COC(=[NH2+])c1cccc(-c2nccs2)c1 ZINC001242898180 970136321 /nfs/dbraw/zinc/13/63/21/970136321.db2.gz WMGLSMNPAAZZIE-UHFFFAOYSA-N 1 2 218.281 2.782 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc(F)c(O)c2)c1 ZINC001211214507 970174849 /nfs/dbraw/zinc/17/48/49/970174849.db2.gz XYCQWKPCBJOWDQ-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO CC(C)CCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001170082245 970193800 /nfs/dbraw/zinc/19/38/00/970193800.db2.gz KYEMHTRDEJIMQA-GFCCVEGCSA-N 1 2 235.375 2.951 20 0 BFADLO CC(C)CCC[C@@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001170082245 970193808 /nfs/dbraw/zinc/19/38/08/970193808.db2.gz KYEMHTRDEJIMQA-GFCCVEGCSA-N 1 2 235.375 2.951 20 0 BFADLO COc1cccc(Nc2cc(C)[nH+]c(OC)c2)n1 ZINC001211298755 970221917 /nfs/dbraw/zinc/22/19/17/970221917.db2.gz VVPXNMNPHVZBAR-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc2ccc(F)cc21 ZINC001243068074 970257758 /nfs/dbraw/zinc/25/77/58/970257758.db2.gz VFLVLOIRSWLTSP-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cn1cc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)cn1 ZINC001213085789 970270146 /nfs/dbraw/zinc/27/01/46/970270146.db2.gz XEILEJNMGHGYSJ-UHFFFAOYSA-N 1 2 239.282 2.554 20 0 BFADLO Cc1cnc(Nc2c[nH+]c(C)cc2C)cn1 ZINC001213503727 970330439 /nfs/dbraw/zinc/33/04/39/970330439.db2.gz UZBATJRVUSAKMD-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CCn1ncc(Nc2c[nH+]c(C)cc2C)c1C ZINC001213505705 970330960 /nfs/dbraw/zinc/33/09/60/970330960.db2.gz NLCWKAMPLYOJRQ-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO CCn1cc(Nc2c[nH+]c(C)cc2C)c(C)n1 ZINC001213505622 970333163 /nfs/dbraw/zinc/33/31/63/970333163.db2.gz KSAFJWZAYUKSPA-UHFFFAOYSA-N 1 2 230.315 2.967 20 0 BFADLO Cc1conc1Nc1c[nH+]c(C)cc1C ZINC001213503660 970335467 /nfs/dbraw/zinc/33/54/67/970335467.db2.gz RDNUBEILUPRABM-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1c[nH+]cc(Nc2c(F)cncc2F)c1C ZINC001213522520 970336855 /nfs/dbraw/zinc/33/68/55/970336855.db2.gz BPPVOKBWBCCRLV-UHFFFAOYSA-N 1 2 235.237 2.537 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(F)cn2)c1C ZINC001213522499 970340104 /nfs/dbraw/zinc/34/01/04/970340104.db2.gz ALAYGEMHMYPZLQ-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]cc(Nc2sccc2C(N)=O)c1C ZINC001213523321 970344409 /nfs/dbraw/zinc/34/44/09/970344409.db2.gz PZEUOTGVGWVVMJ-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO Cc1c[nH+]cc(Nc2cccnc2F)c1C ZINC001213523650 970346190 /nfs/dbraw/zinc/34/61/90/970346190.db2.gz YVPUFUIAUGFLKL-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1c[nH+]cc(Nc2noc3cccnc32)c1C ZINC001213523278 970349248 /nfs/dbraw/zinc/34/92/48/970349248.db2.gz PDJLHQBZOSNOAW-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC2(F)F)cc1 ZINC001255771760 970475603 /nfs/dbraw/zinc/47/56/03/970475603.db2.gz CIWLJEFKOMPKDT-PWSUYJOCSA-N 1 2 225.282 2.923 20 0 BFADLO Cc1ccc(C[C@@H](C)[NH+]2CC(C)(F)C2)cc1 ZINC001255788021 970490020 /nfs/dbraw/zinc/49/00/20/970490020.db2.gz QQMOXRNPLCQWAF-GFCCVEGCSA-N 1 2 221.319 2.970 20 0 BFADLO Cc1ccc(C[C@H](C)[NH+]2C[C@@H](F)[C@H](F)C2)cc1 ZINC001255787767 970491077 /nfs/dbraw/zinc/49/10/77/970491077.db2.gz OMSBDAZSLYTDHK-IACUBPJLSA-N 1 2 239.309 2.918 20 0 BFADLO Nc1ccc(-c2ccc[nH+]c2N)cc1Cl ZINC001243373580 970503747 /nfs/dbraw/zinc/50/37/47/970503747.db2.gz GSURBQHIWOPJLG-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC1(F)F ZINC001255856516 970521279 /nfs/dbraw/zinc/52/12/79/970521279.db2.gz VBQBXQKFDDOQGC-LDYMZIIASA-N 1 2 229.245 2.754 20 0 BFADLO C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001255869174 970534401 /nfs/dbraw/zinc/53/44/01/970534401.db2.gz YJDSLUBEOHNFJR-WQAKAFBOSA-N 1 2 243.272 2.749 20 0 BFADLO C[C@H](Cc1ccc(F)cc1)[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001255869174 970534410 /nfs/dbraw/zinc/53/44/10/970534410.db2.gz YJDSLUBEOHNFJR-WQAKAFBOSA-N 1 2 243.272 2.749 20 0 BFADLO CC(C)C(OCc1c[nH+]cn1C)C(C)C ZINC001222594283 972591727 /nfs/dbraw/zinc/59/17/27/972591727.db2.gz DFZCHVYMGUAKJS-UHFFFAOYSA-N 1 2 210.321 2.617 20 0 BFADLO CCCCOC1C[NH+](Cc2cccc(O)c2C)C1 ZINC001144118976 972592043 /nfs/dbraw/zinc/59/20/43/972592043.db2.gz NNUHWIUGEHMESM-UHFFFAOYSA-N 1 2 249.354 2.702 20 0 BFADLO CC1CCC(OCc2c[nH+]cn2C)CC1 ZINC001222594630 972592382 /nfs/dbraw/zinc/59/23/82/972592382.db2.gz HXLWXOSUTASJTG-UHFFFAOYSA-N 1 2 208.305 2.515 20 0 BFADLO C[C@H]1CCCC[C@@H]1OCc1c[nH+]cn1C ZINC001222595245 972592867 /nfs/dbraw/zinc/59/28/67/972592867.db2.gz UXRWCEZCEQQTBO-JQWIXIFHSA-N 1 2 208.305 2.515 20 0 BFADLO C[C@@H](CCc1ccccc1)OCc1c[nH+]cn1C ZINC001222593982 972594898 /nfs/dbraw/zinc/59/48/98/972594898.db2.gz AUPIIXFQQKBDKV-ZDUSSCGKSA-N 1 2 244.338 2.958 20 0 BFADLO Cn1c[nH+]cc1COC1CCC(C)(C)CC1 ZINC001222595426 972598338 /nfs/dbraw/zinc/59/83/38/972598338.db2.gz ZMVLAWFCHLISCY-UHFFFAOYSA-N 1 2 222.332 2.906 20 0 BFADLO CCC[C@@H](OCc1c[nH+]cn1C)C(C)C ZINC001222595365 972598863 /nfs/dbraw/zinc/59/88/63/972598863.db2.gz XXPAWIUTBBVCMK-GFCCVEGCSA-N 1 2 210.321 2.761 20 0 BFADLO Cc1cnc(F)c([C@H](C)OCc2c[nH+]cn2C)c1 ZINC001222600130 972599591 /nfs/dbraw/zinc/59/95/91/972599591.db2.gz KPEDDDBWLJEHCK-JTQLQIEISA-N 1 2 249.289 2.540 20 0 BFADLO C[C@@H]1CCC[C@@H](C)C1OCc1c[nH+]cn1C ZINC001222601015 972600828 /nfs/dbraw/zinc/60/08/28/972600828.db2.gz XJRJWGJLHHAGPC-GHMZBOCLSA-N 1 2 222.332 2.761 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)[nH]1 ZINC001327561056 972636499 /nfs/dbraw/zinc/63/64/99/972636499.db2.gz AYZXZWMBCURCNN-ZDUSSCGKSA-N 1 2 248.374 2.597 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)[nH]1 ZINC001327561056 972636504 /nfs/dbraw/zinc/63/65/04/972636504.db2.gz AYZXZWMBCURCNN-ZDUSSCGKSA-N 1 2 248.374 2.597 20 0 BFADLO FC1(F)[C@@H]2CC[C@H](Nc3cccc[nH+]3)C[C@@H]21 ZINC001328039440 972857489 /nfs/dbraw/zinc/85/74/89/972857489.db2.gz PAKXNVLSNWWDRO-AEJSXWLSSA-N 1 2 224.254 2.927 20 0 BFADLO C[N@H+](CCF)Cc1cccnc1C(F)(F)F ZINC001144542200 972863543 /nfs/dbraw/zinc/86/35/43/972863543.db2.gz SKIOCFFPUMUIDZ-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[N@@H+](CCF)Cc1cccnc1C(F)(F)F ZINC001144542200 972863548 /nfs/dbraw/zinc/86/35/48/972863548.db2.gz SKIOCFFPUMUIDZ-UHFFFAOYSA-N 1 2 236.212 2.502 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647838 972905234 /nfs/dbraw/zinc/90/52/34/972905234.db2.gz MDWFOCZVPIEBOE-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647838 972905250 /nfs/dbraw/zinc/90/52/50/972905250.db2.gz MDWFOCZVPIEBOE-MRVPVSSYSA-N 1 2 227.254 2.512 20 0 BFADLO Oc1cc(F)c(C[NH+]2C3CCC2CC3)cc1F ZINC001144664154 972922144 /nfs/dbraw/zinc/92/21/44/972922144.db2.gz XLOOZGFBTUPKCG-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO Cc1cc(CO[C@@H](C)c2cncnc2)cc(C)[nH+]1 ZINC001223424294 973064893 /nfs/dbraw/zinc/06/48/93/973064893.db2.gz JAMBNEQSMVDWBN-LBPRGKRZSA-N 1 2 243.310 2.766 20 0 BFADLO Cc1cc(CO[C@@H]2CCO[C@@H](C)C2)cc(C)[nH+]1 ZINC001223424159 973066246 /nfs/dbraw/zinc/06/62/46/973066246.db2.gz ISIGCYFUZKOWAK-GXTWGEPZSA-N 1 2 235.327 2.783 20 0 BFADLO Cc1cc(CO[C@@H]2CCO[C@H](C)C2)cc(C)[nH+]1 ZINC001223424162 973067858 /nfs/dbraw/zinc/06/78/58/973067858.db2.gz ISIGCYFUZKOWAK-TZMCWYRMSA-N 1 2 235.327 2.783 20 0 BFADLO Cc1cc(CO[C@H]2CCCCC2=O)cc(C)[nH+]1 ZINC001223424808 973067984 /nfs/dbraw/zinc/06/79/84/973067984.db2.gz NTHUZDCLHAJSBX-AWEZNQCLSA-N 1 2 233.311 2.727 20 0 BFADLO COCc1ccc(-c2c[nH]c(C)[nH+]2)cc1F ZINC001329235659 973591087 /nfs/dbraw/zinc/59/10/87/973591087.db2.gz JNSMIBMICLLDJN-UHFFFAOYSA-N 1 2 220.247 2.671 20 0 BFADLO CC(C)(C)c1cn(CCOCC2CC2)c[nH+]1 ZINC001329346409 973680122 /nfs/dbraw/zinc/68/01/22/973680122.db2.gz VNQGCSSCIVJWSV-UHFFFAOYSA-N 1 2 222.332 2.607 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H](SC)C1 ZINC000234951575 973797465 /nfs/dbraw/zinc/79/74/65/973797465.db2.gz IFWBXBAUQKJSQO-ZJUUUORDSA-N 1 2 238.356 2.786 20 0 BFADLO CNc1ccc(NC(C)(C)c2ccncc2)c[nH+]1 ZINC001171514943 974089228 /nfs/dbraw/zinc/08/92/28/974089228.db2.gz ZXMPESPTNGGZCU-UHFFFAOYSA-N 1 2 242.326 2.866 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@@H]1CCCCC1=O ZINC001224966955 974107567 /nfs/dbraw/zinc/10/75/67/974107567.db2.gz UTTHENFVKMEMAU-GFCCVEGCSA-N 1 2 241.331 2.699 20 0 BFADLO Cc1ccc(CC[C@H](C)[NH+]2CC(F)C2)cc1 ZINC001171672523 974128447 /nfs/dbraw/zinc/12/84/47/974128447.db2.gz YAMZZESKNBMYAN-LBPRGKRZSA-N 1 2 221.319 2.970 20 0 BFADLO CCCOc1ccc(C[NH+]2CC(OC)C2)c(C)c1 ZINC001330254859 974189646 /nfs/dbraw/zinc/18/96/46/974189646.db2.gz NKUCXKYPRCHAKN-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO c1cnc2c(c1)CCC[C@@H]2Oc1cc[nH+]cc1 ZINC001225288726 974358319 /nfs/dbraw/zinc/35/83/19/974358319.db2.gz ALCQCUALRAPORV-ZDUSSCGKSA-N 1 2 226.279 2.933 20 0 BFADLO c1cc(OC[C@H]2CC[C@]3(CCCCO3)O2)cc[nH+]1 ZINC001225290659 974360320 /nfs/dbraw/zinc/36/03/20/974360320.db2.gz FBTFSRVWCSIVSB-KGLIPLIRSA-N 1 2 249.310 2.536 20 0 BFADLO CC/C=C\CCOC(=O)[C@@H](C)Oc1cc[nH+]cc1 ZINC001225290998 974363416 /nfs/dbraw/zinc/36/34/16/974363416.db2.gz NKGUHJOBVUNTAX-QMAVJUDZSA-N 1 2 249.310 2.748 20 0 BFADLO C[C@H]1c2ccc(OC3C[NH+](C)C3)cc2OC1(C)C ZINC001225497380 974532500 /nfs/dbraw/zinc/53/25/00/974532500.db2.gz CNXKDGPYYBKHQA-JTQLQIEISA-N 1 2 247.338 2.654 20 0 BFADLO Cc1ccc(N[C@@H]2CCCc3c[nH]nc32)c(C)[nH+]1 ZINC001331225131 974652052 /nfs/dbraw/zinc/65/20/52/974652052.db2.gz OUTRWLVEFCYKJY-CYBMUJFWSA-N 1 2 242.326 2.911 20 0 BFADLO O=C1CC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172564984 974872676 /nfs/dbraw/zinc/87/26/76/974872676.db2.gz OTENWDGPLFNUBI-KGLIPLIRSA-N 1 2 229.323 2.598 20 0 BFADLO O=C1CC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172564984 974872678 /nfs/dbraw/zinc/87/26/78/974872678.db2.gz OTENWDGPLFNUBI-KGLIPLIRSA-N 1 2 229.323 2.598 20 0 BFADLO O=C1CC[N@@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172729173 974911717 /nfs/dbraw/zinc/91/17/17/974911717.db2.gz AKJVBKQSXNHPJW-UHFFFAOYSA-N 1 2 221.344 2.764 20 0 BFADLO O=C1CC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172729173 974911720 /nfs/dbraw/zinc/91/17/20/974911720.db2.gz AKJVBKQSXNHPJW-UHFFFAOYSA-N 1 2 221.344 2.764 20 0 BFADLO Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC1(F)F)CC2 ZINC001172822990 974945886 /nfs/dbraw/zinc/94/58/86/974945886.db2.gz DYQCGQVFDXCFLB-CHWSQXEVSA-N 1 2 237.293 2.850 20 0 BFADLO Cc1ccc2c(c1)C[C@@H]([NH+]1CC(C)(F)C1)CC2 ZINC001172827863 974948389 /nfs/dbraw/zinc/94/83/89/974948389.db2.gz OHWCEUIPNZAEEH-AWEZNQCLSA-N 1 2 233.330 2.896 20 0 BFADLO CCCOC1CCC([NH+]2CC(C)(F)C2)CC1 ZINC001173097209 975018614 /nfs/dbraw/zinc/01/86/14/975018614.db2.gz JNDSDNIIRHIYPS-UHFFFAOYSA-N 1 2 229.339 2.768 20 0 BFADLO Cn1cccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001203254445 975057293 /nfs/dbraw/zinc/05/72/93/975057293.db2.gz ZJUDZFMVAIPYFQ-NSHDSACASA-N 1 2 246.276 2.594 20 0 BFADLO Cn1cccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001203254445 975057303 /nfs/dbraw/zinc/05/73/03/975057303.db2.gz ZJUDZFMVAIPYFQ-NSHDSACASA-N 1 2 246.276 2.594 20 0 BFADLO CC[NH+]1CC(Oc2cc(C)c3ccccc3n2)C1 ZINC001227048775 975232735 /nfs/dbraw/zinc/23/27/35/975232735.db2.gz MBMFTVXPFBEDIS-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO CCOc1cc(C)ccc1OC1C[NH+](C(C)C)C1 ZINC001227203059 975312567 /nfs/dbraw/zinc/31/25/67/975312567.db2.gz TVROKTKHDIGELK-UHFFFAOYSA-N 1 2 249.354 2.865 20 0 BFADLO CC(=O)c1ccc(OC2C[NH+](C(C)(C)C)C2)cc1 ZINC001227462062 975440325 /nfs/dbraw/zinc/44/03/25/975440325.db2.gz FOHDDLXDOAMYOB-UHFFFAOYSA-N 1 2 247.338 2.751 20 0 BFADLO C[NH+]1CC(Oc2ccccc2C(C)(C)C)C1 ZINC001227470973 975451829 /nfs/dbraw/zinc/45/18/29/975451829.db2.gz ZGGPGHUQLYDWDJ-UHFFFAOYSA-N 1 2 219.328 2.677 20 0 BFADLO CCC[C@@](C)(CC)c1nnc(C[NH+](C)C)o1 ZINC001333121471 975456529 /nfs/dbraw/zinc/45/65/29/975456529.db2.gz KFGFTYMOGVGBTR-GFCCVEGCSA-N 1 2 225.336 2.599 20 0 BFADLO COc1cc(Nc2ccccc2O)cc(C)[nH+]1 ZINC001206207355 975476825 /nfs/dbraw/zinc/47/68/25/975476825.db2.gz BEUFJBHWWDYCLV-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccsc1 ZINC001173819884 975599236 /nfs/dbraw/zinc/59/92/36/975599236.db2.gz PRSQZGVYEYCGSQ-UHFFFAOYSA-N 1 2 229.308 2.978 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@H]2C)c(C)[nH+]1 ZINC001333285068 975618301 /nfs/dbraw/zinc/61/83/01/975618301.db2.gz NCYFLVADCTWSTN-PELKAZGASA-N 1 2 232.327 2.535 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC001333285074 975619395 /nfs/dbraw/zinc/61/93/95/975619395.db2.gz NCYFLVADCTWSTN-QPUJVOFHSA-N 1 2 232.327 2.535 20 0 BFADLO COc1cccc(Nc2[nH+]cc(O)cc2C)c1 ZINC001173824496 975840460 /nfs/dbraw/zinc/84/04/60/975840460.db2.gz HHRMBDCXCMEXEG-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO C[C@H]([NH2+]Cc1nnc[nH]1)c1cccc(C2CC2)c1 ZINC001333608355 975888725 /nfs/dbraw/zinc/88/87/25/975888725.db2.gz YYFVOIOMEVPLJW-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO CC[C@](C)(O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001333694800 976001979 /nfs/dbraw/zinc/00/19/79/976001979.db2.gz NAOZMZSVZGHKFF-AWEZNQCLSA-N 1 2 249.358 2.625 20 0 BFADLO COc1ccc2[nH+]ccc(NC3=CCCC3)c2n1 ZINC001173999292 976152439 /nfs/dbraw/zinc/15/24/39/976152439.db2.gz OZLNFJPPCGTJJQ-UHFFFAOYSA-N 1 2 241.294 2.540 20 0 BFADLO CCC[C@](C)([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001333921382 976163564 /nfs/dbraw/zinc/16/35/64/976163564.db2.gz MTBCMKMLSQVYGI-AWEZNQCLSA-N 1 2 244.342 2.610 20 0 BFADLO Cc1ccc(O)c(Nc2ccc3c(c2)CCO3)[nH+]1 ZINC001174008788 976167271 /nfs/dbraw/zinc/16/72/71/976167271.db2.gz JNOBXPCWLFEZBL-UHFFFAOYSA-N 1 2 242.278 2.774 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(OC)c1F ZINC001173971359 976190579 /nfs/dbraw/zinc/19/05/79/976190579.db2.gz SJOCLUBVOMKRQQ-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1cc(C)c(Nc2ccc(C(N)=O)cc2)c[nH+]1 ZINC001174048729 976203516 /nfs/dbraw/zinc/20/35/16/976203516.db2.gz SBXXEPYFFBQMNQ-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1ccc(N(C)c2[nH+]cccc2N)cc1F ZINC001174018137 976213116 /nfs/dbraw/zinc/21/31/16/976213116.db2.gz NROLBLNSYPSOGU-UHFFFAOYSA-N 1 2 231.274 2.879 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2CCO)cc1F ZINC001174020320 976222887 /nfs/dbraw/zinc/22/28/87/976222887.db2.gz HCNNXJZINMXJSC-UHFFFAOYSA-N 1 2 246.285 2.808 20 0 BFADLO COc1ncccc1Nc1ccc(C)[nH+]c1C ZINC001174040331 976244904 /nfs/dbraw/zinc/24/49/04/976244904.db2.gz DJFSGJSUEOSEFG-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COCc1cccc(Nc2[nH+]cc(O)cc2C)c1 ZINC001174091821 976284600 /nfs/dbraw/zinc/28/46/00/976284600.db2.gz HFOGGVCFDNTPNG-UHFFFAOYSA-N 1 2 244.294 2.986 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cnccc1C ZINC001174116390 976333127 /nfs/dbraw/zinc/33/31/27/976333127.db2.gz SHRDFAGLVHQFGF-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)cc1OC ZINC001174128500 976362805 /nfs/dbraw/zinc/36/28/05/976362805.db2.gz HOBFESFAYKJSEK-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1nn(C)c(C)c1Nc1ccc(C)[nH+]c1C ZINC001174224310 976419122 /nfs/dbraw/zinc/41/91/22/976419122.db2.gz URKIROGJMVIAOW-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)nc1 ZINC001174281264 976438474 /nfs/dbraw/zinc/43/84/74/976438474.db2.gz NIBIHTJSGFFPSF-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO Cc1ccc(C)c(Nc2cncc(F)c2)[nH+]1 ZINC001174288741 976450645 /nfs/dbraw/zinc/45/06/45/976450645.db2.gz BYRBLMJENWQBQL-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO c1n[nH]cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174293846 976469222 /nfs/dbraw/zinc/46/92/22/976469222.db2.gz GYYKFTZCGFYGNG-UHFFFAOYSA-N 1 2 243.314 2.539 20 0 BFADLO Cc1nonc1[C@H](C)Nc1ccc(C)[nH+]c1C ZINC001334391401 976487776 /nfs/dbraw/zinc/48/77/76/976487776.db2.gz TUQAFNJIDQZFPT-VIFPVBQESA-N 1 2 232.287 2.563 20 0 BFADLO c1cn2cccc(Nc3ccc4n[nH]cc4c3)c2[nH+]1 ZINC001174274515 976498559 /nfs/dbraw/zinc/49/85/59/976498559.db2.gz ZALMXSGPPXFBIF-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO CCC[C@H]1C[N@H+](Cc2cc(C)cc(C)n2)CCO1 ZINC001334625063 976569326 /nfs/dbraw/zinc/56/93/26/976569326.db2.gz ILGRILMNLJDLLV-HNNXBMFYSA-N 1 2 248.370 2.699 20 0 BFADLO CCC[C@H]1C[N@@H+](Cc2cc(C)cc(C)n2)CCO1 ZINC001334625063 976569337 /nfs/dbraw/zinc/56/93/37/976569337.db2.gz ILGRILMNLJDLLV-HNNXBMFYSA-N 1 2 248.370 2.699 20 0 BFADLO Cc1cc[nH+]c(Nc2cnc3[nH]ccc3c2)c1 ZINC001174394222 976587278 /nfs/dbraw/zinc/58/72/78/976587278.db2.gz GCRZESGSHISHGW-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO Nc1ccc(Nc2cccc3[nH+]ccn32)c(F)c1 ZINC001174480042 976801381 /nfs/dbraw/zinc/80/13/81/976801381.db2.gz MVDYOWYKVIMQLI-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO CCOc1cc(Nc2cnn(CC)c2)cc(C)[nH+]1 ZINC001174567112 976884985 /nfs/dbraw/zinc/88/49/85/976884985.db2.gz HWILEECSCGJXLD-UHFFFAOYSA-N 1 2 246.314 2.749 20 0 BFADLO Oc1ccc(F)cc1Nc1cccc2[nH+]ccn21 ZINC001174627046 976897645 /nfs/dbraw/zinc/89/76/45/976897645.db2.gz MAKQMKWPDRCMOO-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CC1C[NH+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001335314335 976951709 /nfs/dbraw/zinc/95/17/09/976951709.db2.gz QJYIABWVPYZGCK-UHFFFAOYSA-N 1 2 227.311 2.528 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(C)c1 ZINC001174755480 977054300 /nfs/dbraw/zinc/05/43/00/977054300.db2.gz YMMZTXWWOWPRRA-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COCc1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001174918320 977164980 /nfs/dbraw/zinc/16/49/80/977164980.db2.gz XTRWUGVUAIXASW-UHFFFAOYSA-N 1 2 244.294 2.980 20 0 BFADLO Cc1ccc(C)c(Nc2[nH+]cccc2CCO)c1 ZINC001175162924 977311308 /nfs/dbraw/zinc/31/13/08/977311308.db2.gz BOTFASDSKRQVSI-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO Cc1cnc(Nc2ccc(N(C)C)[nH+]c2)c(F)c1 ZINC001175341558 977365830 /nfs/dbraw/zinc/36/58/30/977365830.db2.gz KTZIUPLBJVXHGO-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C1CCC1 ZINC001230920486 977385420 /nfs/dbraw/zinc/38/54/20/977385420.db2.gz NXATXKPRUWYEJD-SNVBAGLBSA-N 1 2 245.322 2.935 20 0 BFADLO Cc1csc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001175338185 977387567 /nfs/dbraw/zinc/38/75/67/977387567.db2.gz PZLKGKQSRAWZMP-UHFFFAOYSA-N 1 2 234.328 2.656 20 0 BFADLO CN(C)c1ccc(Nc2ccc(Cl)nc2)c[nH+]1 ZINC001175338357 977387609 /nfs/dbraw/zinc/38/76/09/977387609.db2.gz DRTZPYHTNBFJAL-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO CN(C)c1ccc(Nc2cccs2)c[nH+]1 ZINC001175338368 977388430 /nfs/dbraw/zinc/38/84/30/977388430.db2.gz FESAPZHRMURDJY-UHFFFAOYSA-N 1 2 219.313 2.953 20 0 BFADLO COc1ncc(Nc2c[nH+]c(C)cc2C)s1 ZINC001175387461 977406997 /nfs/dbraw/zinc/40/69/97/977406997.db2.gz XDTNIZTUKMJECM-UHFFFAOYSA-N 1 2 235.312 2.907 20 0 BFADLO Cc1ccc(C)c(Nc2cnc3n[nH]cc3c2)[nH+]1 ZINC001175403655 977415694 /nfs/dbraw/zinc/41/56/94/977415694.db2.gz PSTBMJFDGCEWGM-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cncs1 ZINC001175495695 977450372 /nfs/dbraw/zinc/45/03/72/977450372.db2.gz UQHOVLAGNOPWPA-UHFFFAOYSA-N 1 2 221.285 2.680 20 0 BFADLO CO[C@H](C)COc1ccc(-c2c[nH+]cn2C)cc1 ZINC001231078366 977464533 /nfs/dbraw/zinc/46/45/33/977464533.db2.gz BGYOSRIFXLHXAW-LLVKDONJSA-N 1 2 246.310 2.501 20 0 BFADLO CC[C@@H](COc1ccc(-c2[nH]cc[nH+]2)cc1)OC ZINC001231082292 977471766 /nfs/dbraw/zinc/47/17/66/977471766.db2.gz UIXTUGDCSXEOGR-LBPRGKRZSA-N 1 2 246.310 2.881 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(CO)cc1 ZINC001175563380 977548612 /nfs/dbraw/zinc/54/86/12/977548612.db2.gz OLFSGASASURRBC-UHFFFAOYSA-N 1 2 228.295 2.880 20 0 BFADLO Cc1cnc(NC2=CCC[N@@H+](C)C2)c(Cl)c1 ZINC001175575490 977576131 /nfs/dbraw/zinc/57/61/31/977576131.db2.gz XTEUTPITPCJYRQ-UHFFFAOYSA-N 1 2 237.734 2.675 20 0 BFADLO Cc1cnc(NC2=CCC[N@H+](C)C2)c(Cl)c1 ZINC001175575490 977576140 /nfs/dbraw/zinc/57/61/40/977576140.db2.gz XTEUTPITPCJYRQ-UHFFFAOYSA-N 1 2 237.734 2.675 20 0 BFADLO COc1cc[nH+]cc1Nc1cnn(C2CCC2)c1 ZINC001175756518 977716289 /nfs/dbraw/zinc/71/62/89/977716289.db2.gz XFOZZBIWGWVCMB-UHFFFAOYSA-N 1 2 244.298 2.755 20 0 BFADLO CCc1ccc(N2CCC(CC)(CO)CC2)[nH+]c1 ZINC001336562414 977782741 /nfs/dbraw/zinc/78/27/41/977782741.db2.gz PWCSWENFFGPKEJ-UHFFFAOYSA-N 1 2 248.370 2.633 20 0 BFADLO c1cn2ccc(Nc3cscn3)cc2[nH+]1 ZINC001175940177 977800162 /nfs/dbraw/zinc/80/01/62/977800162.db2.gz DTDYBKDNKAIWPB-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO CCc1ccc(N2CC[C@@](C)(COC)C2)[nH+]c1 ZINC001336653340 977833699 /nfs/dbraw/zinc/83/36/99/977833699.db2.gz TYDAFCJDJAQSBY-CQSZACIVSA-N 1 2 234.343 2.507 20 0 BFADLO CC[N@H+](C)c1ccc(NC2=CCOCC2)cc1 ZINC001176148997 977940583 /nfs/dbraw/zinc/94/05/83/977940583.db2.gz XGENYOHDOFWMMJ-UHFFFAOYSA-N 1 2 232.327 2.859 20 0 BFADLO CC[N@@H+](C)c1ccc(NC2=CCOCC2)cc1 ZINC001176148997 977940591 /nfs/dbraw/zinc/94/05/91/977940591.db2.gz XGENYOHDOFWMMJ-UHFFFAOYSA-N 1 2 232.327 2.859 20 0 BFADLO CC[N@H+](Cc1ccnc(C(C)(C)C)c1)C1COC1 ZINC001232216637 977944638 /nfs/dbraw/zinc/94/46/38/977944638.db2.gz ARNAWNBKQCVGSG-UHFFFAOYSA-N 1 2 248.370 2.600 20 0 BFADLO CC[N@@H+](Cc1ccnc(C(C)(C)C)c1)C1COC1 ZINC001232216637 977944647 /nfs/dbraw/zinc/94/46/47/977944647.db2.gz ARNAWNBKQCVGSG-UHFFFAOYSA-N 1 2 248.370 2.600 20 0 BFADLO CCc1cccnc1Nc1c[nH+]ccc1OC ZINC001176118436 977945451 /nfs/dbraw/zinc/94/54/51/977945451.db2.gz KYYCMAHARJGARW-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(F)cc1C ZINC001176117291 977946958 /nfs/dbraw/zinc/94/69/58/977946958.db2.gz ZWVNQWCXAVXBFK-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1Nc1ncc(C)cc1F ZINC001176119385 977948596 /nfs/dbraw/zinc/94/85/96/977948596.db2.gz RFZFEELMOKDORK-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1-n1c(N)cc2ccccc21 ZINC001176119431 977949505 /nfs/dbraw/zinc/94/95/05/977949505.db2.gz ZGRBVQWMFFQQBP-UHFFFAOYSA-N 1 2 239.278 2.616 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)ns1 ZINC001176119346 977951673 /nfs/dbraw/zinc/95/16/73/977951673.db2.gz WTMDVMYSYYTGRY-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)cc1O ZINC001176121073 977954029 /nfs/dbraw/zinc/95/40/29/977954029.db2.gz GHPSGSQRZIOYMJ-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cc(CO)c1 ZINC001176124257 977955865 /nfs/dbraw/zinc/95/58/65/977955865.db2.gz PIUBNUOQWLQBDV-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(F)c1O ZINC001176122779 977957109 /nfs/dbraw/zinc/95/71/09/977957109.db2.gz HWBUYHWGPPHUAV-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO COc1cc[nH+]cc1Nc1c(C)cccc1CO ZINC001176124232 977957738 /nfs/dbraw/zinc/95/77/38/977957738.db2.gz PBBSBHWFXZQLDY-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)c(O)c1 ZINC001176122557 977958996 /nfs/dbraw/zinc/95/89/96/977958996.db2.gz AMILDRCILDGUCJ-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CC[N@H+](Cc1cnsc1)Cc1cccnc1 ZINC001232227344 977958962 /nfs/dbraw/zinc/95/89/62/977958962.db2.gz LNLBDDOIRDHATE-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cnsc1)Cc1cccnc1 ZINC001232227344 977958971 /nfs/dbraw/zinc/95/89/71/977958971.db2.gz LNLBDDOIRDHATE-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO COc1cc[nH+]cc1Nc1c(O)cccc1OC ZINC001176125225 977961961 /nfs/dbraw/zinc/96/19/61/977961961.db2.gz WSQAMYGUJXWXHT-UHFFFAOYSA-N 1 2 246.266 2.548 20 0 BFADLO Cc1noc(C)c1Nc1ccc2c(c1)[nH+]cn2C ZINC001176179233 977984786 /nfs/dbraw/zinc/98/47/86/977984786.db2.gz TVYUNLLOPOTSKC-UHFFFAOYSA-N 1 2 242.282 2.922 20 0 BFADLO Cc1c[nH+]c(Nc2cncc(C3CC3)c2)c(N)c1 ZINC001176282851 978011639 /nfs/dbraw/zinc/01/16/39/978011639.db2.gz XYRGCASFIMBYBZ-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO Cc1c(F)cc(C[N@H+](C)CCF)cc1F ZINC001232428586 978061419 /nfs/dbraw/zinc/06/14/19/978061419.db2.gz NPITUJPNAPNUPM-UHFFFAOYSA-N 1 2 217.234 2.675 20 0 BFADLO Cc1c(F)cc(C[N@@H+](C)CCF)cc1F ZINC001232428586 978061429 /nfs/dbraw/zinc/06/14/29/978061429.db2.gz NPITUJPNAPNUPM-UHFFFAOYSA-N 1 2 217.234 2.675 20 0 BFADLO CCc1ccc(N2CCSC[C@@H]2C)[nH+]c1 ZINC001337042569 978140550 /nfs/dbraw/zinc/14/05/50/978140550.db2.gz MTFSRRNHWCXGSN-JTQLQIEISA-N 1 2 222.357 2.586 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cc(F)ccn1 ZINC001232496742 978153263 /nfs/dbraw/zinc/15/32/63/978153263.db2.gz VZRPEKOLEQWFPT-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cc(F)ccn1 ZINC001232496742 978153268 /nfs/dbraw/zinc/15/32/68/978153268.db2.gz VZRPEKOLEQWFPT-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CC[N@H+](Cc1cccnc1)Cc1cc(F)ccn1 ZINC001232496249 978155081 /nfs/dbraw/zinc/15/50/81/978155081.db2.gz QWMZTQCWDGALHO-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cccnc1)Cc1cc(F)ccn1 ZINC001232496249 978155084 /nfs/dbraw/zinc/15/50/84/978155084.db2.gz QWMZTQCWDGALHO-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO c1ccc(Nc2ccc[nH+]c2N2CCCC2)nc1 ZINC001176743039 978170250 /nfs/dbraw/zinc/17/02/50/978170250.db2.gz HGRFFXNONFBWFE-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc3ccoc3cn2)C[C@@H]1F ZINC001232550039 978177089 /nfs/dbraw/zinc/17/70/89/978177089.db2.gz QGMWNGCFLGVGEI-SKDRFNHKSA-N 1 2 234.274 2.618 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc3ccoc3cn2)C[C@@H]1F ZINC001232550039 978177098 /nfs/dbraw/zinc/17/70/98/978177098.db2.gz QGMWNGCFLGVGEI-SKDRFNHKSA-N 1 2 234.274 2.618 20 0 BFADLO C[C@H](c1ncccn1)[N@@H+]1CCc2ccsc2C1 ZINC001176761012 978181261 /nfs/dbraw/zinc/18/12/61/978181261.db2.gz MSZDNHTUEBWYKF-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](c1ncccn1)[N@H+]1CCc2ccsc2C1 ZINC001176761012 978181266 /nfs/dbraw/zinc/18/12/66/978181266.db2.gz MSZDNHTUEBWYKF-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO c1cc2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)cc2s1 ZINC001232613649 978195424 /nfs/dbraw/zinc/19/54/24/978195424.db2.gz ABQGBBRNKRBTNL-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO c1cc2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)cc2s1 ZINC001232613649 978195427 /nfs/dbraw/zinc/19/54/27/978195427.db2.gz ABQGBBRNKRBTNL-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO CCc1ccc(N2CC[C@H](OC)C(C)(C)C2)[nH+]c1 ZINC001337186711 978201108 /nfs/dbraw/zinc/20/11/08/978201108.db2.gz VLBNGMIYDCXXKK-ZDUSSCGKSA-N 1 2 248.370 2.895 20 0 BFADLO C=C/C=C/CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001597184124 978298536 /nfs/dbraw/zinc/29/85/36/978298536.db2.gz CXJVFDDRLXCNST-VOTSOKGWSA-N 1 2 245.326 2.527 20 0 BFADLO Oc1c(F)ccc(C[N@@H+]2CCC3(CC3)C2)c1F ZINC001232933868 978339367 /nfs/dbraw/zinc/33/93/67/978339367.db2.gz NRMDKJTZYUENJP-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1c(F)ccc(C[N@H+]2CCC3(CC3)C2)c1F ZINC001232933868 978339378 /nfs/dbraw/zinc/33/93/78/978339378.db2.gz NRMDKJTZYUENJP-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(O)c1F ZINC001232932994 978342666 /nfs/dbraw/zinc/34/26/66/978342666.db2.gz CWJCTVOVVIZJQG-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232932994 978342678 /nfs/dbraw/zinc/34/26/78/978342678.db2.gz CWJCTVOVVIZJQG-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO Cc1cscc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001597677376 978354024 /nfs/dbraw/zinc/35/40/24/978354024.db2.gz VNIOTRMOHKXIDO-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO O=C1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001232984431 978381985 /nfs/dbraw/zinc/38/19/85/978381985.db2.gz OBYRPKDWCDFELE-UHFFFAOYSA-N 1 2 229.323 2.729 20 0 BFADLO CCc1ccc(N(C)Cc2cscn2)[nH+]c1 ZINC001337747049 978481302 /nfs/dbraw/zinc/48/13/02/978481302.db2.gz SMGDIZNWAOZCJN-UHFFFAOYSA-N 1 2 233.340 2.737 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CO2 ZINC001178002303 978487959 /nfs/dbraw/zinc/48/79/59/978487959.db2.gz CYNAYQBXFSKJLR-LLVKDONJSA-N 1 2 246.335 2.675 20 0 BFADLO Cc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1C ZINC001233247782 978511380 /nfs/dbraw/zinc/51/13/80/978511380.db2.gz KEYINYBUCXZGTM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1C ZINC001233247782 978511389 /nfs/dbraw/zinc/51/13/89/978511389.db2.gz KEYINYBUCXZGTM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001233248735 978512708 /nfs/dbraw/zinc/51/27/08/978512708.db2.gz WEVRQLXGAGEKQM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC001233248735 978512712 /nfs/dbraw/zinc/51/27/12/978512712.db2.gz WEVRQLXGAGEKQM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO CCc1ccc(N2C[C@@H](C)OC(C)(C)C2)[nH+]c1 ZINC001337840351 978523483 /nfs/dbraw/zinc/52/34/83/978523483.db2.gz GNJNFQLFCOWCRU-LLVKDONJSA-N 1 2 234.343 2.648 20 0 BFADLO CCc1ccc(N2CCC=C(C)C2)[nH+]c1 ZINC001337858683 978530736 /nfs/dbraw/zinc/53/07/36/978530736.db2.gz IXYCAZQSCYEWGU-UHFFFAOYSA-N 1 2 202.301 2.800 20 0 BFADLO CCc1ccc(N2CCCC(F)(F)C2)[nH+]c1 ZINC001337907513 978558897 /nfs/dbraw/zinc/55/88/97/978558897.db2.gz OSAANAFAMZDRHJ-UHFFFAOYSA-N 1 2 226.270 2.880 20 0 BFADLO CCC[C@]1(CO)CCN(c2ccc(CC)c[nH+]2)C1 ZINC001337992079 978583520 /nfs/dbraw/zinc/58/35/20/978583520.db2.gz KKWDJGZITQEPLP-HNNXBMFYSA-N 1 2 248.370 2.633 20 0 BFADLO C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)C1(C)CC1 ZINC001338014080 978588051 /nfs/dbraw/zinc/58/80/51/978588051.db2.gz MLBVLLOFUBGELE-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)C1(C)CC1 ZINC001338014080 978588055 /nfs/dbraw/zinc/58/80/55/978588055.db2.gz MLBVLLOFUBGELE-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CCCCNc1cc(N(CC)CC)nc[nH+]1 ZINC000149563583 978627450 /nfs/dbraw/zinc/62/74/50/978627450.db2.gz OTNNYBOSKAVCPQ-UHFFFAOYSA-N 1 2 222.336 2.535 20 0 BFADLO CCCCNc1cc(N(CC)CC)[nH+]cn1 ZINC000149563583 978627453 /nfs/dbraw/zinc/62/74/53/978627453.db2.gz OTNNYBOSKAVCPQ-UHFFFAOYSA-N 1 2 222.336 2.535 20 0 BFADLO Fc1cnc(Cl)c(C[NH2+]Cc2ccco2)c1 ZINC001178827036 978633257 /nfs/dbraw/zinc/63/32/57/978633257.db2.gz LBVHEHZQYNKZDH-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO CCNc1ccc(Nc2nc(C)cc(C)n2)c[nH+]1 ZINC001338283255 978653620 /nfs/dbraw/zinc/65/36/20/978653620.db2.gz BWMBERVEOUPSRN-UHFFFAOYSA-N 1 2 243.314 2.664 20 0 BFADLO C[NH+]1CC(Oc2cccc3ncc(Cl)cc32)C1 ZINC001233638224 978655877 /nfs/dbraw/zinc/65/58/77/978655877.db2.gz CVVVQBLLAVTCOK-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)C=CC(C)(C)C)[nH+]1 ZINC001179092255 978666538 /nfs/dbraw/zinc/66/65/38/978666538.db2.gz KMGMBJKDHBZNOY-VOTSOKGWSA-N 1 2 249.358 2.752 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)/C=C/C(C)(C)C)c[nH+]1 ZINC001179092255 978666543 /nfs/dbraw/zinc/66/65/43/978666543.db2.gz KMGMBJKDHBZNOY-VOTSOKGWSA-N 1 2 249.358 2.752 20 0 BFADLO CC[NH+]1CC(Oc2cnc3ccccc3c2C)C1 ZINC001233724115 978679906 /nfs/dbraw/zinc/67/99/06/978679906.db2.gz AABXJLGHQGHLEZ-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO C[NH+]1CC(Oc2ccc3c(ccnc3Cl)c2)C1 ZINC001234039252 978761143 /nfs/dbraw/zinc/76/11/43/978761143.db2.gz ABUCOXLKMKMXSK-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1c(C)c[nH+]cc1C ZINC001339102989 978795399 /nfs/dbraw/zinc/79/53/99/978795399.db2.gz MCNCJXOWFUHJRV-CHWSQXEVSA-N 1 2 246.354 2.885 20 0 BFADLO C[N@H+](C/C=C/c1cccc(F)c1)Cc1ccon1 ZINC001180017530 978806613 /nfs/dbraw/zinc/80/66/13/978806613.db2.gz FCTYKYLQAFRGKH-HWKANZROSA-N 1 2 246.285 2.959 20 0 BFADLO C[N@@H+](C/C=C/c1cccc(F)c1)Cc1ccon1 ZINC001180017530 978806616 /nfs/dbraw/zinc/80/66/16/978806616.db2.gz FCTYKYLQAFRGKH-HWKANZROSA-N 1 2 246.285 2.959 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2C=CCCC2)c(C)[nH+]1 ZINC001339371645 978843011 /nfs/dbraw/zinc/84/30/11/978843011.db2.gz CJPBOILKQHXLNK-ZDUSSCGKSA-N 1 2 244.338 2.845 20 0 BFADLO C[N@H+](C/C=C/c1cccc(F)c1)Cc1cc[nH]n1 ZINC001180289084 978859261 /nfs/dbraw/zinc/85/92/61/978859261.db2.gz SDTDWFVCTKMVAD-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C/c1cccc(F)c1)Cc1cc[nH]n1 ZINC001180289084 978859265 /nfs/dbraw/zinc/85/92/65/978859265.db2.gz SDTDWFVCTKMVAD-HWKANZROSA-N 1 2 245.301 2.694 20 0 BFADLO CCOC(=[NH2+])c1ccc(O[C@H]2CCCOC2)cc1 ZINC001234587179 978864946 /nfs/dbraw/zinc/86/49/46/978864946.db2.gz YVCAKDRXKWNIFI-ZDUSSCGKSA-N 1 2 249.310 2.606 20 0 BFADLO Cc1cc(F)cc(N2C[C@@H](C)OC(C)(C)C2)[nH+]1 ZINC001339546765 978867713 /nfs/dbraw/zinc/86/77/13/978867713.db2.gz HYOWFQHPPOSJBA-SNVBAGLBSA-N 1 2 238.306 2.533 20 0 BFADLO Cc1cc(F)cc(N2CCCC3(CC3)C2)[nH+]1 ZINC001339667812 978890736 /nfs/dbraw/zinc/89/07/36/978890736.db2.gz RWCGPTQYAADKIO-UHFFFAOYSA-N 1 2 220.291 2.910 20 0 BFADLO Fc1cccc2cc(C[N@H+]3CC[C@H](F)C3)[nH]c21 ZINC001235236705 979003358 /nfs/dbraw/zinc/00/33/58/979003358.db2.gz GCIMIOSTXSCAJM-JTQLQIEISA-N 1 2 236.265 2.851 20 0 BFADLO Fc1cccc2cc(C[N@@H+]3CC[C@H](F)C3)[nH]c21 ZINC001235236705 979003362 /nfs/dbraw/zinc/00/33/62/979003362.db2.gz GCIMIOSTXSCAJM-JTQLQIEISA-N 1 2 236.265 2.851 20 0 BFADLO Cc1ccc(Nc2cccc(F)n2)c(C)[nH+]1 ZINC001203366877 979039742 /nfs/dbraw/zinc/03/97/42/979039742.db2.gz GFMKSIYFASURAS-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)cn2)C1 ZINC001235414619 979041002 /nfs/dbraw/zinc/04/10/02/979041002.db2.gz QULUOVUHVQGJCB-SNVBAGLBSA-N 1 2 239.750 2.752 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)C1 ZINC001235414619 979041007 /nfs/dbraw/zinc/04/10/07/979041007.db2.gz QULUOVUHVQGJCB-SNVBAGLBSA-N 1 2 239.750 2.752 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@@H]2C)cc(F)c1F ZINC001235435168 979046046 /nfs/dbraw/zinc/04/60/46/979046046.db2.gz VEBFDGPKXKEJNE-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(C[N@H+]2CC[C@@H]2C)cc(F)c1F ZINC001235435168 979046049 /nfs/dbraw/zinc/04/60/49/979046049.db2.gz VEBFDGPKXKEJNE-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO Cc1ccc(Nc2cc(=O)[nH]cc2C)c(C)[nH+]1 ZINC001203370391 979473858 /nfs/dbraw/zinc/47/38/58/979473858.db2.gz LAHQAKQCTIOMAW-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO CC(=O)Nc1cc(-c2ccc(N)[nH+]c2)ccc1C ZINC001236317450 979527809 /nfs/dbraw/zinc/52/78/09/979527809.db2.gz QXPASHWTYUSTII-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO Nc1ccc(-c2ccnc(C3CC3)c2)c[nH+]1 ZINC001236317354 979530447 /nfs/dbraw/zinc/53/04/47/979530447.db2.gz UJBKTYSOIPYLMD-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO Cc1ccc(F)c(-c2c[nH+]c(N)c(C)c2)c1O ZINC001236406242 979583514 /nfs/dbraw/zinc/58/35/14/979583514.db2.gz QCADXKBWIGFEJR-UHFFFAOYSA-N 1 2 232.258 2.792 20 0 BFADLO COC(=O)C[N@H+](C)Cc1cccc2sccc21 ZINC001236690428 979690725 /nfs/dbraw/zinc/69/07/25/979690725.db2.gz RCUFODMRZJAMMM-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1cccc2sccc21 ZINC001236690428 979690732 /nfs/dbraw/zinc/69/07/32/979690732.db2.gz RCUFODMRZJAMMM-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO c1cc2c(cccc2C[NH+]2CC3(CCO3)C2)s1 ZINC001236690533 979694495 /nfs/dbraw/zinc/69/44/95/979694495.db2.gz TYOIOPPXEWCMDS-UHFFFAOYSA-N 1 2 245.347 2.876 20 0 BFADLO C[N@H+](CCF)Cc1cnc(-c2ccccc2)o1 ZINC001237368111 979875003 /nfs/dbraw/zinc/87/50/03/979875003.db2.gz VDCGCKVYMUDUDE-UHFFFAOYSA-N 1 2 234.274 2.743 20 0 BFADLO C[N@@H+](CCF)Cc1cnc(-c2ccccc2)o1 ZINC001237368111 979875012 /nfs/dbraw/zinc/87/50/12/979875012.db2.gz VDCGCKVYMUDUDE-UHFFFAOYSA-N 1 2 234.274 2.743 20 0 BFADLO COc1c(C)cccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001237498982 979922259 /nfs/dbraw/zinc/92/22/59/979922259.db2.gz ALHODCUEVVZXNK-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1c(C)cccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001237498982 979922265 /nfs/dbraw/zinc/92/22/65/979922265.db2.gz ALHODCUEVVZXNK-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1c(C)cccc1C[N@H+](C)Cc1ccno1 ZINC001237503673 979923598 /nfs/dbraw/zinc/92/35/98/979923598.db2.gz FARYDNAHWIWMDD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1c(C)cccc1C[N@@H+](C)Cc1ccno1 ZINC001237503673 979923602 /nfs/dbraw/zinc/92/36/02/979923602.db2.gz FARYDNAHWIWMDD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C ZINC001237732235 980038656 /nfs/dbraw/zinc/03/86/56/980038656.db2.gz UCHVDACXRYUNAR-JTQLQIEISA-N 1 2 239.746 2.869 20 0 BFADLO Cc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C ZINC001237732235 980038663 /nfs/dbraw/zinc/03/86/63/980038663.db2.gz UCHVDACXRYUNAR-JTQLQIEISA-N 1 2 239.746 2.869 20 0 BFADLO COc1ccoc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001237868149 980103591 /nfs/dbraw/zinc/10/35/91/980103591.db2.gz JYYNSGPMSXNNMD-GFCCVEGCSA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccoc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001237868149 980103595 /nfs/dbraw/zinc/10/35/95/980103595.db2.gz JYYNSGPMSXNNMD-GFCCVEGCSA-N 1 2 227.279 2.612 20 0 BFADLO Cc1sccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001237964032 980116370 /nfs/dbraw/zinc/11/63/70/980116370.db2.gz CJPDEKSUNVVCIX-VIFPVBQESA-N 1 2 223.341 2.610 20 0 BFADLO Cc1sccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001237964032 980116374 /nfs/dbraw/zinc/11/63/74/980116374.db2.gz CJPDEKSUNVVCIX-VIFPVBQESA-N 1 2 223.341 2.610 20 0 BFADLO Cc1sccc1C[NH+]1CC2(C1)CCCCO2 ZINC001237971063 980119557 /nfs/dbraw/zinc/11/95/57/980119557.db2.gz ZVYCUKUNZQJRCT-UHFFFAOYSA-N 1 2 237.368 2.811 20 0 BFADLO CC[NH+](CC)Cc1scnc1Br ZINC001238035312 980128832 /nfs/dbraw/zinc/12/88/32/980128832.db2.gz HXGSHUZRWZBEFZ-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO Oc1c(Cl)ccc(CC[NH+]2CCCC2)c1F ZINC001250165979 980137303 /nfs/dbraw/zinc/13/73/03/980137303.db2.gz FVRUEXPRSDNNPR-UHFFFAOYSA-N 1 2 243.709 2.823 20 0 BFADLO COc1c(C)c[nH+]c(CN2CCC[C@@H]3C[C@@H]32)c1C ZINC001238175818 980206338 /nfs/dbraw/zinc/20/63/38/980206338.db2.gz BBJLGCVROJESPF-OCCSQVGLSA-N 1 2 246.354 2.691 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(C3CC3)c2)[C@@H](C)CO1 ZINC001238196058 980223396 /nfs/dbraw/zinc/22/33/96/980223396.db2.gz VTOWZQZENMFUDS-NWDGAFQWSA-N 1 2 246.354 2.568 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(C3CC3)c2)[C@@H](C)CO1 ZINC001238196058 980223401 /nfs/dbraw/zinc/22/34/01/980223401.db2.gz VTOWZQZENMFUDS-NWDGAFQWSA-N 1 2 246.354 2.568 20 0 BFADLO Cc1cc(C[N@H+](C)CCF)cnc1OC(C)C ZINC001238380982 980246733 /nfs/dbraw/zinc/24/67/33/980246733.db2.gz FTMGJFJMGRXHNV-UHFFFAOYSA-N 1 2 240.322 2.579 20 0 BFADLO Cc1cc(C[N@@H+](C)CCF)cnc1OC(C)C ZINC001238380982 980246744 /nfs/dbraw/zinc/24/67/44/980246744.db2.gz FTMGJFJMGRXHNV-UHFFFAOYSA-N 1 2 240.322 2.579 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001238498937 980276547 /nfs/dbraw/zinc/27/65/47/980276547.db2.gz NVLMKDHJAWUBNQ-NSHDSACASA-N 1 2 249.329 2.924 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccc(F)c(C2CC2)c1 ZINC001238498937 980276554 /nfs/dbraw/zinc/27/65/54/980276554.db2.gz NVLMKDHJAWUBNQ-NSHDSACASA-N 1 2 249.329 2.924 20 0 BFADLO F[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)C[C@@H]1F ZINC000334555966 980281586 /nfs/dbraw/zinc/28/15/86/980281586.db2.gz PQEFMUCTMCTGMK-AOOOYVTPSA-N 1 2 239.256 2.804 20 0 BFADLO F[C@@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@@H]1F ZINC000334555966 980281600 /nfs/dbraw/zinc/28/16/00/980281600.db2.gz PQEFMUCTMCTGMK-AOOOYVTPSA-N 1 2 239.256 2.804 20 0 BFADLO COc1cc(F)c(C[NH+]2CC(C)C2)cc1Cl ZINC001238787956 980326421 /nfs/dbraw/zinc/32/64/21/980326421.db2.gz JUKOETRVQVRRME-UHFFFAOYSA-N 1 2 243.709 2.939 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(-c2nnc(C)o2)cc1 ZINC001239019194 980411481 /nfs/dbraw/zinc/41/14/81/980411481.db2.gz WYXYRVRYUMHKME-LQIBPGRFSA-N 1 2 241.294 2.921 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncccc2F)c1 ZINC001203654030 980477005 /nfs/dbraw/zinc/47/70/05/980477005.db2.gz BJTCLCGYNFGVTE-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Fc1cccc(C2CC2)c1CC[NH+]1CCOCC1 ZINC001250276286 980648898 /nfs/dbraw/zinc/64/88/98/980648898.db2.gz BSYFUSVOXKEVDW-UHFFFAOYSA-N 1 2 249.329 2.578 20 0 BFADLO COc1cccc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001239519580 980689401 /nfs/dbraw/zinc/68/94/01/980689401.db2.gz KABAFBKEVPDAGA-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CCOc1ccccc1/C(C)=C/C=C/[NH3+] ZINC001239559762 980740333 /nfs/dbraw/zinc/74/03/33/980740333.db2.gz VTAVQUPFXIXZCJ-JMQWPVDRSA-N 1 2 203.285 2.961 20 0 BFADLO Cc1cc(-c2cccnc2)c2[nH+]ccn2c1 ZINC001239569875 980758057 /nfs/dbraw/zinc/75/80/57/980758057.db2.gz VQNATNQFFGIDBE-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Clc1ccc(CCn2cc[nH+]c2)c(Cl)n1 ZINC001250318896 980759347 /nfs/dbraw/zinc/75/93/47/980759347.db2.gz LDOKSIDXBXDDQB-UHFFFAOYSA-N 1 2 242.109 2.828 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])cc1F ZINC001239579643 980766386 /nfs/dbraw/zinc/76/63/86/980766386.db2.gz VCEVQGLSNGJJEY-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1F ZINC001239578653 980769448 /nfs/dbraw/zinc/76/94/48/980769448.db2.gz KLJKFUXDGCIQGG-UHFFFAOYSA-N 1 2 246.285 2.962 20 0 BFADLO CC(=O)c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001239631020 980819960 /nfs/dbraw/zinc/81/99/60/980819960.db2.gz ZPMFMXMEPJSURR-UHFFFAOYSA-N 1 2 212.252 2.533 20 0 BFADLO COc1ccc(OC)c(/C(C)=C/C=C/[NH3+])c1 ZINC001239664626 980832822 /nfs/dbraw/zinc/83/28/22/980832822.db2.gz CEKKECMPRJCPQG-DXNUHORPSA-N 1 2 219.284 2.580 20 0 BFADLO CCc1ccccc1N(C)c1[nH+]cccc1N ZINC000077341498 980866318 /nfs/dbraw/zinc/86/63/18/980866318.db2.gz NPZUNGUINRPLQF-UHFFFAOYSA-N 1 2 227.311 2.994 20 0 BFADLO CCOc1nccc(C[N@@H+]2CC[C@@H]2C)c1Cl ZINC001250368942 980868686 /nfs/dbraw/zinc/86/86/86/980868686.db2.gz GYHVBTBTKRNNEG-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1nccc(C[N@H+]2CC[C@@H]2C)c1Cl ZINC001250368942 980868690 /nfs/dbraw/zinc/86/86/90/980868690.db2.gz GYHVBTBTKRNNEG-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO CCCCNC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001190582470 980891875 /nfs/dbraw/zinc/89/18/75/980891875.db2.gz PYTPOTVYCJFMQZ-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO Cc1c[nH+]c(C)c(CC2CCOCC2)c1 ZINC001250392917 980921298 /nfs/dbraw/zinc/92/12/98/980921298.db2.gz BSEHYSWKCOJDPP-UHFFFAOYSA-N 1 2 205.301 2.668 20 0 BFADLO Cc1ccc(-c2ccc3c(c2)CCO3)[nH+]c1N ZINC001239801540 980939867 /nfs/dbraw/zinc/93/98/67/980939867.db2.gz CGUVGIGIPQVBOX-UHFFFAOYSA-N 1 2 226.279 2.574 20 0 BFADLO CC(C)OCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250406742 980942546 /nfs/dbraw/zinc/94/25/46/980942546.db2.gz AWJKMAXBUBKJRP-UHFFFAOYSA-N 1 2 244.338 2.899 20 0 BFADLO c1cn2c(cccc2-c2ccc3c(c2)CCO3)[nH+]1 ZINC001239805992 980945558 /nfs/dbraw/zinc/94/55/58/980945558.db2.gz LRMIIPYBQNXTSP-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cc(C2CC2)no1 ZINC001347099708 980969756 /nfs/dbraw/zinc/96/97/56/980969756.db2.gz YRNMAXJVXJFDGF-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cc(C2CC2)no1 ZINC001347099708 980969760 /nfs/dbraw/zinc/96/97/60/980969760.db2.gz YRNMAXJVXJFDGF-UHFFFAOYSA-N 1 2 248.248 2.936 20 0 BFADLO COc1ncccc1-c1c[nH+]c(N(C)C)cc1C ZINC001239855429 980994760 /nfs/dbraw/zinc/99/47/60/980994760.db2.gz FGWMRPOYUOFTCI-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO CN1CCOc2cc(CC3CCCC3)c[nH+]c21 ZINC001250429309 981067581 /nfs/dbraw/zinc/06/75/81/981067581.db2.gz CTBKZSZPHPGIQW-UHFFFAOYSA-N 1 2 232.327 2.643 20 0 BFADLO CC(C)Oc1cccc(-c2c[nH+]cn2C)c1 ZINC001239968169 981068749 /nfs/dbraw/zinc/06/87/49/981068749.db2.gz KXPMTHJFFXRVPI-UHFFFAOYSA-N 1 2 216.284 2.874 20 0 BFADLO Cc1ccncc1-c1cccc2[nH+]ccn21 ZINC001239974666 981076824 /nfs/dbraw/zinc/07/68/24/981076824.db2.gz WLPCHDTZPPZKPQ-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1cn2c(cccc2-c2ccc3cncnc3c2)[nH+]1 ZINC001239986570 981086128 /nfs/dbraw/zinc/08/61/28/981086128.db2.gz OVSVSRGFDBFKPZ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Nc1[nH+]cccc1-c1cc(F)cc2[nH]ccc21 ZINC001240033211 981108344 /nfs/dbraw/zinc/10/83/44/981108344.db2.gz QZAIFVNWBQIKLX-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Cc1n[nH]c(C)c1-c1ccc2[nH+]ccn2c1C ZINC001240126786 981125218 /nfs/dbraw/zinc/12/52/18/981125218.db2.gz KCPUHZGQBKBORJ-UHFFFAOYSA-N 1 2 226.283 2.650 20 0 BFADLO c1cn2cc(-c3ccc4n[nH]cc4c3)ccc2[nH+]1 ZINC001240211546 981159505 /nfs/dbraw/zinc/15/95/05/981159505.db2.gz FGEBMFOTCMAYCD-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CSc1cc(-c2ccc3[nH+]ccn3c2)ncn1 ZINC001240214442 981160777 /nfs/dbraw/zinc/16/07/77/981160777.db2.gz PEEXZDQBYXHTIC-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO CCCc1ccc(-c2ccc3[nH+]ccn3c2)nn1 ZINC001240216993 981165503 /nfs/dbraw/zinc/16/55/03/981165503.db2.gz WMTNHNVRVRUJRY-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Cc1cc(F)ncc1-c1ccc2[nH+]ccn2c1 ZINC001240217125 981165821 /nfs/dbraw/zinc/16/58/21/981165821.db2.gz CEHBBNDOPHUEHR-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1cnccc1-c1ccc2[nH+]ccn2c1 ZINC001240217991 981167868 /nfs/dbraw/zinc/16/78/68/981167868.db2.gz VIDILJNURPUDPP-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1nc(F)ccc1-c1ccc2[nH+]ccn2c1 ZINC001240217134 981168019 /nfs/dbraw/zinc/16/80/19/981168019.db2.gz CMTHVEUIGQLUDM-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Fc1nccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240218142 981168147 /nfs/dbraw/zinc/16/81/47/981168147.db2.gz CNUGMMLELHZVPM-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO COc1ccc(-c2ccc3[nH+]ccn3c2)c(C)n1 ZINC001240219748 981169182 /nfs/dbraw/zinc/16/91/82/981169182.db2.gz UOKFKKFUSNIIAB-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCc1ncccc1-c1ccc2[nH+]ccn2c1 ZINC001240218746 981169769 /nfs/dbraw/zinc/16/97/69/981169769.db2.gz XCQUCGLWZXODFA-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cc1c(F)nccc1-c1ccc2[nH+]ccn2c1 ZINC001240219582 981170653 /nfs/dbraw/zinc/17/06/53/981170653.db2.gz OSUMALRXCDWWHL-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO Cc1ccc(N)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218880 981171379 /nfs/dbraw/zinc/17/13/79/981171379.db2.gz NNEYAFOLRIVDGC-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO COc1cnc(C)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218313 981171823 /nfs/dbraw/zinc/17/18/23/981171823.db2.gz KQPVTSQDMGBRES-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCc1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001240219010 981172062 /nfs/dbraw/zinc/17/20/62/981172062.db2.gz UUTXYXCQOLTLOH-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cccnc1F ZINC001250483384 981178176 /nfs/dbraw/zinc/17/81/76/981178176.db2.gz MMMVQKGMGRPRCD-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Fc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240235750 981196593 /nfs/dbraw/zinc/19/65/93/981196593.db2.gz VOTXZBXXXTUINL-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO Cc1cc(-c2cncc(F)c2)cn2cc[nH+]c12 ZINC001240236572 981200791 /nfs/dbraw/zinc/20/07/91/981200791.db2.gz OATONFDOYHIXQM-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cc(-c2cn3cc[nH+]c3cc2C)ccn1 ZINC001240257217 981229848 /nfs/dbraw/zinc/22/98/48/981229848.db2.gz NGFNTQDCMOKYHW-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C[C@@H]1C=CCCC1 ZINC001347973861 981230923 /nfs/dbraw/zinc/23/09/23/981230923.db2.gz XSNPSBSYPKLTRD-GFCCVEGCSA-N 1 2 248.326 2.693 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)[C@H](C)C2)[nH+]1 ZINC001348020318 981248584 /nfs/dbraw/zinc/24/85/84/981248584.db2.gz JKWQVIFEACFIEG-DTORHVGOSA-N 1 2 208.280 2.621 20 0 BFADLO Cc1cc(F)cc(N2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC001348031463 981251482 /nfs/dbraw/zinc/25/14/82/981251482.db2.gz MSNLSPUYGMNYRF-AOOOYVTPSA-N 1 2 208.280 2.906 20 0 BFADLO CNc1cc(-c2ccc3cnn(C)c3c2)cc[nH+]1 ZINC001240311784 981280357 /nfs/dbraw/zinc/28/03/57/981280357.db2.gz YQOMKAQAAMGLNZ-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO c1cn2c(cccc2-c2cccc3n[nH]cc32)[nH+]1 ZINC001240313811 981287097 /nfs/dbraw/zinc/28/70/97/981287097.db2.gz VZIIXHCLFKTXNU-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CNc1cc(-c2ccc3ncn(C)c3c2)cc[nH+]1 ZINC001240319605 981293563 /nfs/dbraw/zinc/29/35/63/981293563.db2.gz HDGYKDHAELHRNR-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-c2cncnc2)c1 ZINC001240376739 981328720 /nfs/dbraw/zinc/32/87/20/981328720.db2.gz GXJIMYXZUMCXSX-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO c1cc2c(nccc2-c2ccn3cc[nH+]c3c2)[nH]1 ZINC001240413027 981364130 /nfs/dbraw/zinc/36/41/30/981364130.db2.gz NFVMSXRAYMZLJS-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COc1cc(C)cnc1-c1ccn2cc[nH+]c2c1 ZINC001240497503 981417422 /nfs/dbraw/zinc/41/74/22/981417422.db2.gz QNEXXOKNRYJKOJ-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1c(F)ccnc1-c1ccn2cc[nH+]c2c1 ZINC001240497257 981418048 /nfs/dbraw/zinc/41/80/48/981418048.db2.gz PKUNMELXIRFNQQ-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3ccc4ncccc4n3)cc2[nH+]1 ZINC001240497070 981418388 /nfs/dbraw/zinc/41/83/88/981418388.db2.gz XOGHDGGQPHWHAH-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cnc(-c2ccn3cc[nH+]c3c2)c(C)c1 ZINC001240496328 981418440 /nfs/dbraw/zinc/41/84/40/981418440.db2.gz MAQOPSFQTGXFBE-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CCCc1cc(-c2ccn3cc[nH+]c3c2)ncn1 ZINC001240504631 981430285 /nfs/dbraw/zinc/43/02/85/981430285.db2.gz TZLSUIVNOHSYLY-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO c1cn2ccc(-c3cncnc3C3CC3)cc2[nH+]1 ZINC001240510159 981433344 /nfs/dbraw/zinc/43/33/44/981433344.db2.gz DNDFVFSKUCDZQI-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO COc1cc(-c2ccn3cc[nH+]c3c2)cnc1C ZINC001240509487 981434636 /nfs/dbraw/zinc/43/46/36/981434636.db2.gz ZPWPADNSZQLOPE-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cn1cnc2c1cccc2-c1ccn2cc[nH+]c2c1 ZINC001240510444 981436696 /nfs/dbraw/zinc/43/66/96/981436696.db2.gz KNPQXCJWVFHLNI-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Fc1ccc(F)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240510668 981437108 /nfs/dbraw/zinc/43/71/08/981437108.db2.gz OYRCUABDIFXSIQ-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)nc1C ZINC001240512964 981439015 /nfs/dbraw/zinc/43/90/15/981439015.db2.gz DXGZJFRCWUMSQF-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)c(F)n1 ZINC001240518763 981448226 /nfs/dbraw/zinc/44/82/26/981448226.db2.gz UKMHMKABBZBKHL-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Oc1ccc(F)cc1-c1cc[nH+]c2c1CCN2 ZINC001240699141 981618846 /nfs/dbraw/zinc/61/88/46/981618846.db2.gz HXNONNSUJLQWAF-UHFFFAOYSA-N 1 2 230.242 2.561 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CC[C@@H](C)C1 ZINC001349792382 981744299 /nfs/dbraw/zinc/74/42/99/981744299.db2.gz VSJGIUDUYKMBMZ-SRMXYGTFSA-N 1 2 244.338 2.805 20 0 BFADLO COCOc1cc(C)ccc1/C(C)=C/C=C/[NH3+] ZINC001240754583 981805136 /nfs/dbraw/zinc/80/51/36/981805136.db2.gz BTJBVUHINPHILV-FWSLBAKWSA-N 1 2 233.311 2.853 20 0 BFADLO C[C@H]1CCCC[C@H]1Cc1nnc(C[NH+](C)C)o1 ZINC001349948228 981823917 /nfs/dbraw/zinc/82/39/17/981823917.db2.gz WVEXZWKKAZELMJ-QWRGUYRKSA-N 1 2 237.347 2.500 20 0 BFADLO Oc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240925017 981993369 /nfs/dbraw/zinc/99/33/69/981993369.db2.gz XGSUBOGACBDRKN-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO COCOc1ccc2[nH]c([C@H]3C[C@@H]3C)[nH+]c2c1 ZINC001250615704 982049204 /nfs/dbraw/zinc/04/92/04/982049204.db2.gz QRVKGBQMVIZAER-WPRPVWTQSA-N 1 2 232.283 2.669 20 0 BFADLO CNc1cc(-c2cccc(N(C)C)c2)cc[nH+]1 ZINC001240986720 982069498 /nfs/dbraw/zinc/06/94/98/982069498.db2.gz SHTMSBQFWDDTQI-UHFFFAOYSA-N 1 2 227.311 2.856 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])ccc1C ZINC001241033874 982135285 /nfs/dbraw/zinc/13/52/85/982135285.db2.gz OLROFAQOAVZKRP-DXNUHORPSA-N 1 2 203.285 2.879 20 0 BFADLO CCN(C)c1cc(C)[nH+]c(-c2ccc(O)cc2)n1 ZINC001241059493 982159030 /nfs/dbraw/zinc/15/90/30/982159030.db2.gz VNADBUWOELTBBK-UHFFFAOYSA-N 1 2 243.310 2.614 20 0 BFADLO Cc1noc2cc(-c3cc[nH+]c(N)c3)ccc12 ZINC001241169575 982314466 /nfs/dbraw/zinc/31/44/66/982314466.db2.gz GFZUPPTZQSBKQE-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CN(C)c1ccc(F)cc1-c1cc[nH+]c(N)c1 ZINC001241175598 982324714 /nfs/dbraw/zinc/32/47/14/982324714.db2.gz GHLDFQCBHNNGEK-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ncccc1F ZINC001241228784 982381556 /nfs/dbraw/zinc/38/15/56/982381556.db2.gz PVFUEFIELZSEEY-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1ncc(-c2c[nH+]c(N(C)C)cc2C)c(C)n1 ZINC001241243059 982385935 /nfs/dbraw/zinc/38/59/35/982385935.db2.gz NYWJFLBKGZHAIB-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1nc(F)ccc1F ZINC001241248806 982390186 /nfs/dbraw/zinc/39/01/86/982390186.db2.gz WBBMBZFQEVRGSL-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccnc(C)c1F ZINC001241251434 982390933 /nfs/dbraw/zinc/39/09/33/982390933.db2.gz WBDBAIOBIRFPMN-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO CNc1cc(-c2c[nH+]c(N(C)C)cc2C)ccn1 ZINC001241251625 982392014 /nfs/dbraw/zinc/39/20/14/982392014.db2.gz XWRATLKLKKUWKG-UHFFFAOYSA-N 1 2 242.326 2.560 20 0 BFADLO CCOc1ccc(-c2ccc[nH+]c2N)c(F)c1 ZINC001241274137 982404580 /nfs/dbraw/zinc/40/45/80/982404580.db2.gz LWZVNCYFQKNOGH-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Cc1ccc2[nH]c(-c3ccc(N)[nH+]c3C)nc2c1 ZINC001251091571 982507743 /nfs/dbraw/zinc/50/77/43/982507743.db2.gz JEOZPRFTJKKSOR-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1ccc2nc(-c3ccc(N)[nH+]c3C)[nH]c2c1 ZINC001251091571 982507749 /nfs/dbraw/zinc/50/77/49/982507749.db2.gz JEOZPRFTJKKSOR-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO COc1ncc(C)cc1-c1[nH+]ccc2[nH]ccc21 ZINC001241361750 982518505 /nfs/dbraw/zinc/51/85/05/982518505.db2.gz GSDUWBDTJHBDLP-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO CCc1cncc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001241374355 982536315 /nfs/dbraw/zinc/53/63/15/982536315.db2.gz RUYNQFKLZSEEQH-UHFFFAOYSA-N 1 2 238.294 2.541 20 0 BFADLO CCc1cncc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001241386425 982545531 /nfs/dbraw/zinc/54/55/31/982545531.db2.gz KUBXIRDZXPETHY-UHFFFAOYSA-N 1 2 239.322 2.707 20 0 BFADLO CNc1cc(-c2ccc3c(cnn3C)c2)cc[nH+]1 ZINC001241440583 982592497 /nfs/dbraw/zinc/59/24/97/982592497.db2.gz TYJNPWRQFZJXAR-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cn1ncc2cccc(-c3ccc4[nH+]ccn4c3)c21 ZINC001241457202 982613127 /nfs/dbraw/zinc/61/31/27/982613127.db2.gz WRSSCYXWIRGPEM-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1ncc2cccc(-c3cccc4[nH+]ccn43)c21 ZINC001241456416 982615024 /nfs/dbraw/zinc/61/50/24/982615024.db2.gz BPTQPKPPYRZXCE-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CNc1cc(-c2ccc3c(c2)NCCO3)cc[nH+]1 ZINC001241488112 982638703 /nfs/dbraw/zinc/63/87/03/982638703.db2.gz AMVGYEBTTHJNIC-UHFFFAOYSA-N 1 2 241.294 2.595 20 0 BFADLO CC[C@@H](O)CNc1c(C)cc[nH+]c1C(C)C ZINC001251763917 982672422 /nfs/dbraw/zinc/67/24/22/982672422.db2.gz QHIDXQRGLUFWOE-LLVKDONJSA-N 1 2 222.332 2.696 20 0 BFADLO Cc1ccc(CCC[N@@H+]2CCCC(=O)[C@H]2C)cc1 ZINC001198354969 982696998 /nfs/dbraw/zinc/69/69/98/982696998.db2.gz VWGVKDBARZEEDF-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CCC[N@H+]2CCCC(=O)[C@H]2C)cc1 ZINC001198354969 982697010 /nfs/dbraw/zinc/69/70/10/982697010.db2.gz VWGVKDBARZEEDF-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO Nc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001241542187 982734554 /nfs/dbraw/zinc/73/45/54/982734554.db2.gz PRKIODRBWRZUCD-UHFFFAOYSA-N 1 2 209.252 2.584 20 0 BFADLO Cn1cc2cc(-c3cccn4cc[nH+]c34)ccc2n1 ZINC001241606471 982847917 /nfs/dbraw/zinc/84/79/17/982847917.db2.gz GDYSJSMPZAZAKC-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2ccncc2c1 ZINC001241676467 982929678 /nfs/dbraw/zinc/92/96/78/982929678.db2.gz VFYTVLCSTHPKOG-UHFFFAOYSA-N 1 2 221.263 2.879 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnc(N)cc1C(F)(F)F ZINC001241682298 982936859 /nfs/dbraw/zinc/93/68/59/982936859.db2.gz APMHOQYGCBDSEP-JKEDICHKSA-N 1 2 243.232 2.558 20 0 BFADLO CCOc1ccc(-c2cc[nH+]c3c2CCN3)cn1 ZINC001241707957 982964936 /nfs/dbraw/zinc/96/49/36/982964936.db2.gz YCLWXEGGJPFZFQ-UHFFFAOYSA-N 1 2 241.294 2.510 20 0 BFADLO Cc1cn2cc(-c3ccc(F)cn3)ccc2[nH+]1 ZINC001241807251 983061110 /nfs/dbraw/zinc/06/11/10/983061110.db2.gz IDEHRJAGKOFSLV-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cccc(-c2ccc[nH+]c2N)c1Cl ZINC001241857702 983086004 /nfs/dbraw/zinc/08/60/04/983086004.db2.gz QFLJTTLWVZKGGM-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO Cc1cn2c(cccc2-c2cnn(C3CC3)c2)[nH+]1 ZINC001241906059 983119498 /nfs/dbraw/zinc/11/94/98/983119498.db2.gz DXDVGJHBTCTLTF-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO Cc1c(Cl)nccc1Nc1ccc(N)[nH+]c1 ZINC001201279576 983156131 /nfs/dbraw/zinc/15/61/31/983156131.db2.gz XOVOCEIDQYVSCN-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO COc1cccc(C)c1Nc1ccc(N)[nH+]c1 ZINC001201284255 983157981 /nfs/dbraw/zinc/15/79/81/983157981.db2.gz PAJFCFKRIHXBMJ-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Nc1ccc(Nc2ccc3ncoc3c2)c[nH+]1 ZINC001201283855 983158775 /nfs/dbraw/zinc/15/87/75/983158775.db2.gz HJHPOHXVSULLQG-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1ccc(Nc2c(N)cccc2Cl)c[nH+]1 ZINC001201285205 983160352 /nfs/dbraw/zinc/16/03/52/983160352.db2.gz CKHMRYRAZJDVMU-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO COc1cccc(Nc2ccc(N)[nH+]c2)c1C ZINC001201287192 983165597 /nfs/dbraw/zinc/16/55/97/983165597.db2.gz YLMJOZASQNGTIP-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1nc2cc(Nc3ccc(N)[nH+]c3)ccc2o1 ZINC001201287060 983166990 /nfs/dbraw/zinc/16/69/90/983166990.db2.gz RAMSXKXAPLGIRU-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Nc1ccc(Nc2ccnc(Cl)c2F)c[nH+]1 ZINC001201275342 983176377 /nfs/dbraw/zinc/17/63/77/983176377.db2.gz BOIBOGVXBPAWML-UHFFFAOYSA-N 1 2 238.653 2.595 20 0 BFADLO Cc1cc(Cl)ncc1Nc1ccc(N)[nH+]c1 ZINC001201276026 983177208 /nfs/dbraw/zinc/17/72/08/983177208.db2.gz OQZMLGZDUXFDFV-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO CCc1ccc(N)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201300739 983182437 /nfs/dbraw/zinc/18/24/37/983182437.db2.gz WAXXQJTVQZOHHD-UHFFFAOYSA-N 1 2 228.299 2.552 20 0 BFADLO CCc1ccc(N2C[C@@H](C)O[C@H](C3CC3)C2)[nH+]c1 ZINC001354186231 983187316 /nfs/dbraw/zinc/18/73/16/983187316.db2.gz WMQSYKGHXUPGML-RISCZKNCSA-N 1 2 246.354 2.648 20 0 BFADLO CCc1ccc(N2C[C@]3(C)COC[C@]3(C)C2)[nH+]c1 ZINC001354234481 983214223 /nfs/dbraw/zinc/21/42/23/983214223.db2.gz HEEGDBXRXXMHQT-GASCZTMLSA-N 1 2 246.354 2.507 20 0 BFADLO Cc1cc(-c2[nH]cc[nH+]2)cc2cccnc12 ZINC001242017601 983218457 /nfs/dbraw/zinc/21/84/57/983218457.db2.gz PKUJNPRLXLHPKM-UHFFFAOYSA-N 1 2 209.252 2.933 20 0 BFADLO Cc1ccc(-c2cc[nH+]c3c2CCN3)c(F)c1F ZINC001242031154 983245869 /nfs/dbraw/zinc/24/58/69/983245869.db2.gz FFWXYDCPDOKWTD-UHFFFAOYSA-N 1 2 246.260 2.946 20 0 BFADLO O=c1ccc(-c2ccc(-n3cc[nH+]c3)cc2)c[nH]1 ZINC001242065664 983288423 /nfs/dbraw/zinc/28/84/23/983288423.db2.gz WMTQCQPUAATOCM-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO CC[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001201587686 983351272 /nfs/dbraw/zinc/35/12/72/983351272.db2.gz VPIKFRIPMSOZHA-UHFFFAOYSA-N 1 2 243.285 2.618 20 0 BFADLO CC[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001201587686 983351276 /nfs/dbraw/zinc/35/12/76/983351276.db2.gz VPIKFRIPMSOZHA-UHFFFAOYSA-N 1 2 243.285 2.618 20 0 BFADLO CSCCC[N@@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001201681966 983393968 /nfs/dbraw/zinc/39/39/68/983393968.db2.gz JWVSBVBUAGKQCB-VIFPVBQESA-N 1 2 241.322 2.809 20 0 BFADLO CSCCC[N@H+]1CCC[C@H](F)C(F)(F)C1 ZINC001201681966 983393977 /nfs/dbraw/zinc/39/39/77/983393977.db2.gz JWVSBVBUAGKQCB-VIFPVBQESA-N 1 2 241.322 2.809 20 0 BFADLO FC(F)n1cc(Nc2cccc3[nH+]ccn32)cn1 ZINC001201722377 983422811 /nfs/dbraw/zinc/42/28/11/983422811.db2.gz BQBHDAGPDCIQAY-UHFFFAOYSA-N 1 2 249.224 2.670 20 0 BFADLO Oc1c(F)cccc1-c1ccc2[nH+]ccn2c1 ZINC001242351342 983624630 /nfs/dbraw/zinc/62/46/30/983624630.db2.gz HAWIOXMTDFVVNB-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO [NH3+]Cc1cccc(-c2cccc(Cl)c2O)n1 ZINC001242363486 983653668 /nfs/dbraw/zinc/65/36/68/983653668.db2.gz AQXUAUAOIIWRQY-UHFFFAOYSA-N 1 2 234.686 2.566 20 0 BFADLO CNc1cc(-c2cnc(OC)c(C)c2)cc[nH+]1 ZINC001242431813 983731501 /nfs/dbraw/zinc/73/15/01/983731501.db2.gz AQWDJUYKGAUOTI-UHFFFAOYSA-N 1 2 229.283 2.502 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000379822228 983757452 /nfs/dbraw/zinc/75/74/52/983757452.db2.gz TUTNAWMGJNDQKJ-DGCLKSJQSA-N 1 2 231.343 2.892 20 0 BFADLO CCOC1C[NH+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137051348 983786282 /nfs/dbraw/zinc/78/62/82/983786282.db2.gz NYBNBGCIHUVMTL-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(OC)c1F ZINC000690023296 983798162 /nfs/dbraw/zinc/79/81/62/983798162.db2.gz GAJSOOZPJQHTTI-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc(CO)c(F)c1 ZINC001242532333 983853371 /nfs/dbraw/zinc/85/33/71/983853371.db2.gz GHQVCUAJMPRNBW-UHFFFAOYSA-N 1 2 231.270 2.997 20 0 BFADLO Cc1ccc(-c2cccc([C@@H](C)O)c2)[nH+]c1N ZINC001242546414 983867727 /nfs/dbraw/zinc/86/77/27/983867727.db2.gz PTKNBHFLJQQCKM-SNVBAGLBSA-N 1 2 228.295 2.693 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1c[nH]c(=O)c(F)c1 ZINC001242615900 984000228 /nfs/dbraw/zinc/00/02/28/984000228.db2.gz SIUBMUVEWQLRGU-UHFFFAOYSA-N 1 2 243.241 2.549 20 0 BFADLO CNc1cc(-c2ccc([C@H](C)O)cc2)cc[nH+]1 ZINC001242648890 984023631 /nfs/dbraw/zinc/02/36/31/984023631.db2.gz MQOINQIAFKNQPE-JTQLQIEISA-N 1 2 228.295 2.844 20 0 BFADLO CNc1cc(-c2cc(CO)ccc2C)cc[nH+]1 ZINC001242669962 984040028 /nfs/dbraw/zinc/04/00/28/984040028.db2.gz WAZFLELZCSCWMC-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO Cc1cc(-c2ccnc(OC3CC3)c2)c[nH+]c1N ZINC001242724233 984074699 /nfs/dbraw/zinc/07/46/99/984074699.db2.gz ZKBFPQAGZWDCMZ-UHFFFAOYSA-N 1 2 241.294 2.575 20 0 BFADLO CC=C(C)c1[nH+]cnc2[nH]cc(C(=O)OCC)c21 ZINC001242755120 984109625 /nfs/dbraw/zinc/10/96/25/984109625.db2.gz ORNHEZPLTLYAPT-XBXARRHUSA-N 1 2 245.282 2.509 20 0 BFADLO Oc1ccc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001242763124 984131679 /nfs/dbraw/zinc/13/16/79/984131679.db2.gz SNGGPKGSPYHKLD-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cc(O)ccc1F ZINC001242764229 984139385 /nfs/dbraw/zinc/13/93/85/984139385.db2.gz HQZZEBHGHLWXMG-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(OC2CC2)c1 ZINC001242805983 984176847 /nfs/dbraw/zinc/17/68/47/984176847.db2.gz MSDPUODEEVQIBA-UHFFFAOYSA-N 1 2 214.268 2.628 20 0 BFADLO CCCn1nccc1-c1cc(C)c2[nH+]ccn2c1 ZINC001242843986 984193743 /nfs/dbraw/zinc/19/37/43/984193743.db2.gz NLMRXDZTLQGXIF-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO CCCn1nccc1-c1cccc2[nH+]ccn21 ZINC001242844473 984193865 /nfs/dbraw/zinc/19/38/65/984193865.db2.gz GUABFAMFYZTHCL-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO Cc1cccc(Nc2cnc(F)cc2C)[nH+]1 ZINC001212811663 984222217 /nfs/dbraw/zinc/22/22/17/984222217.db2.gz DCRZYMCCQRUJKX-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1ccc(-c2cc(-n3cc[nH+]c3)ccn2)nc1 ZINC001242904536 984268696 /nfs/dbraw/zinc/26/86/96/984268696.db2.gz CEBMAHIBCGQYBM-UHFFFAOYSA-N 1 2 236.278 2.638 20 0 BFADLO COc1ncc(-c2c[nH+]c(N)c(C)c2)cc1Cl ZINC001242932676 984304029 /nfs/dbraw/zinc/30/40/29/984304029.db2.gz ISLMPXGPBZMJPQ-UHFFFAOYSA-N 1 2 249.701 2.696 20 0 BFADLO CCOc1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001242935837 984304599 /nfs/dbraw/zinc/30/45/99/984304599.db2.gz GEJYWUFASTUTPV-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO COCc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001242954778 984318836 /nfs/dbraw/zinc/31/88/36/984318836.db2.gz AYRCQIWNCRJZBB-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cnn2ccccc12 ZINC001242965718 984329387 /nfs/dbraw/zinc/32/93/87/984329387.db2.gz GCQSQUCAKATXSE-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO COc1cc(C)ccc1-c1cc[nH+]c2c1CCN2 ZINC001242983506 984351647 /nfs/dbraw/zinc/35/16/47/984351647.db2.gz SLIVYEUHJOCVQI-UHFFFAOYSA-N 1 2 240.306 2.676 20 0 BFADLO Cc1c(CO)cccc1-c1cccc2[nH+]ccn21 ZINC001243015644 984370632 /nfs/dbraw/zinc/37/06/32/984370632.db2.gz QFIRLJGOKKIFBN-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CCOC(=O)c1cccc(/C(C)=C/C=C/[NH3+])c1 ZINC001243041097 984376085 /nfs/dbraw/zinc/37/60/85/984376085.db2.gz OQOLKZHUTPVKAB-MPEOSAONSA-N 1 2 231.295 2.739 20 0 BFADLO Clc1ccncc1-c1c[nH+]c2c(c1)CCCN2 ZINC001243047506 984388844 /nfs/dbraw/zinc/38/88/44/984388844.db2.gz DDGMINUAZNXKMO-UHFFFAOYSA-N 1 2 245.713 2.798 20 0 BFADLO Oc1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1F ZINC001243049777 984399190 /nfs/dbraw/zinc/39/91/90/984399190.db2.gz FPWPCFHKXDBGQC-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO Oc1cc(-c2cccc3[nH+]ccn32)ccc1F ZINC001243049709 984400469 /nfs/dbraw/zinc/40/04/69/984400469.db2.gz SRDTUXXGRBJNFS-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Cc1cc(C(F)(F)F)ncc1-c1c[nH+]cn1C ZINC001243066896 984480037 /nfs/dbraw/zinc/48/00/37/984480037.db2.gz OALXAAHOPIRNAS-UHFFFAOYSA-N 1 2 241.216 2.809 20 0 BFADLO Cn1c[nH+]cc1-c1cccc2c1CCCC2 ZINC001243066741 984480535 /nfs/dbraw/zinc/48/05/35/984480535.db2.gz LQCDLEWOVBMNAS-UHFFFAOYSA-N 1 2 212.296 2.966 20 0 BFADLO CCN(CC)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243067352 984482550 /nfs/dbraw/zinc/48/25/50/984482550.db2.gz JRNMBUWHIDESOP-UHFFFAOYSA-N 1 2 229.327 2.933 20 0 BFADLO CCc1cc(-c2c[nH+]cn2C)ccc1NC(C)=O ZINC001243067782 984482853 /nfs/dbraw/zinc/48/28/53/984482853.db2.gz QJCSCYHTHVGTKR-UHFFFAOYSA-N 1 2 243.310 2.608 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(F)c1[Si](C)(C)C ZINC001243068434 984486995 /nfs/dbraw/zinc/48/69/95/984486995.db2.gz XAWZWEYESFFFJX-UHFFFAOYSA-N 1 2 248.377 2.771 20 0 BFADLO Cn1c[nH+]cc1-c1cnc2cccc(F)c2c1 ZINC001243071568 984497820 /nfs/dbraw/zinc/49/78/20/984497820.db2.gz VWUBOXUGNQIRBB-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc2[nH]c(C3CC3)cc21 ZINC001243071111 984499936 /nfs/dbraw/zinc/49/99/36/984499936.db2.gz MCBBCLSLIWXJOP-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO CSc1cc(F)cc(-c2c[nH+]cn2C)c1 ZINC001243071719 984502931 /nfs/dbraw/zinc/50/29/31/984502931.db2.gz ZANLVOROUNENQB-UHFFFAOYSA-N 1 2 222.288 2.948 20 0 BFADLO CSc1ccc(-c2c[nH+]cn2C)c(C)n1 ZINC001243073120 984508998 /nfs/dbraw/zinc/50/89/98/984508998.db2.gz ZNXXXWIPCUBKJJ-UHFFFAOYSA-N 1 2 219.313 2.512 20 0 BFADLO Nc1[nH+]cccc1-c1cc2ccccc2[nH]1 ZINC001243103262 984542655 /nfs/dbraw/zinc/54/26/55/984542655.db2.gz JAEIDHYQWDLRDA-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO OCc1cccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001243148442 984609882 /nfs/dbraw/zinc/60/98/82/984609882.db2.gz NXWVGXYLAYIPKU-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(-c2cccc3[nH+]ccn32)ccc1CO ZINC001243201831 984686340 /nfs/dbraw/zinc/68/63/40/984686340.db2.gz VHYMLQLWQOQMIP-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1CO ZINC001243199132 984690029 /nfs/dbraw/zinc/69/00/29/984690029.db2.gz BMANFXBJJGGELW-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO COc1cc(C)cc(-c2ccc[nH+]c2N)c1 ZINC001243243263 984785532 /nfs/dbraw/zinc/78/55/32/984785532.db2.gz IZPAVONXHOUXQQ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1ccc(F)c(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001243282102 984808132 /nfs/dbraw/zinc/80/81/32/984808132.db2.gz JYFZMOBLHYFBHG-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO COc1nccc(/C(C)=C/C=C/[NH3+])c1Cl ZINC001243321863 984828412 /nfs/dbraw/zinc/82/84/12/984828412.db2.gz ZOJDWXOAZUORHX-PHQNLGIASA-N 1 2 224.691 2.619 20 0 BFADLO Oc1ccc(-c2ccn3cc[nH+]c3c2)c(F)c1F ZINC001243342444 984833708 /nfs/dbraw/zinc/83/37/08/984833708.db2.gz NOFQVTJFCVECTI-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO Oc1ccc(-c2cccc3[nH+]ccn32)c(F)c1F ZINC001243343283 984834780 /nfs/dbraw/zinc/83/47/80/984834780.db2.gz ZZJBWNJOSPSTHP-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CC(=O)Oc1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001243362037 984841908 /nfs/dbraw/zinc/84/19/08/984841908.db2.gz MBQGFDDOUSWTDD-UHFFFAOYSA-N 1 2 242.278 2.565 20 0 BFADLO Cc1ccc(-c2ccc(N)c(Cl)c2)[nH+]c1N ZINC001243371082 984846140 /nfs/dbraw/zinc/84/61/40/984846140.db2.gz HZPKMCAHUIOWCT-UHFFFAOYSA-N 1 2 233.702 2.875 20 0 BFADLO O=c1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc[nH]1 ZINC001243428540 984926440 /nfs/dbraw/zinc/92/64/40/984926440.db2.gz PJTMVGXOKBNIOU-UHFFFAOYSA-N 1 2 237.262 2.844 20 0 BFADLO Cc1cc(N(C)C)ccc1-c1ccc[nH+]c1N ZINC001243473250 985021414 /nfs/dbraw/zinc/02/14/14/985021414.db2.gz JGKYOAKWPRXIIP-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO CC(C)c1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243474072 985021905 /nfs/dbraw/zinc/02/19/05/985021905.db2.gz SROAQJPSQTYBFV-UHFFFAOYSA-N 1 2 213.284 2.849 20 0 BFADLO Nc1[nH+]cccc1-c1cncc(-c2ccncc2)c1 ZINC001243475405 985029093 /nfs/dbraw/zinc/02/90/93/985029093.db2.gz GZPIVZLHVVDYAP-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(-c2cnco2)cc1 ZINC001243475425 985033693 /nfs/dbraw/zinc/03/36/93/985033693.db2.gz YUEGFGVYXHDXJA-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO CC(C)COc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001243477953 985034188 /nfs/dbraw/zinc/03/41/88/985034188.db2.gz UHRUMCRWRSJJRL-UHFFFAOYSA-N 1 2 243.310 2.761 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)NCCC2 ZINC001243477052 985040287 /nfs/dbraw/zinc/04/02/87/985040287.db2.gz YJKWXZMQHJKRTP-UHFFFAOYSA-N 1 2 225.295 2.689 20 0 BFADLO Cc1c(F)ccc(-c2ccc[nH+]c2N)c1F ZINC001243476845 985040772 /nfs/dbraw/zinc/04/07/72/985040772.db2.gz VHNBSWLCMKOHJT-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO COc1c(F)ccc(/C(C)=C/C=C/[NH3+])c1F ZINC001243509745 985063612 /nfs/dbraw/zinc/06/36/12/985063612.db2.gz UEIHQJAUDWFEDV-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO Oc1cccc(-c2cccc3[nH+]ccn32)c1F ZINC001243544993 985085687 /nfs/dbraw/zinc/08/56/87/985085687.db2.gz MOODGUVAQCBZFX-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Cc1cc(CO)cc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001243697388 985222523 /nfs/dbraw/zinc/22/25/23/985222523.db2.gz GBZAVKKZEGOZET-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO CCCN(CC)c1cc(CC)[nH+]c(CC)n1 ZINC001458217062 985277661 /nfs/dbraw/zinc/27/76/61/985277661.db2.gz AWDNJBSXJUTKKZ-UHFFFAOYSA-N 1 2 221.348 2.838 20 0 BFADLO CO[C@@H]1CC=C(c2ccc(C)c(N)[nH+]2)CC1 ZINC001243803454 985378504 /nfs/dbraw/zinc/37/85/04/985378504.db2.gz DKUOOWSKMSREEJ-LLVKDONJSA-N 1 2 218.300 2.555 20 0 BFADLO CCc1cn(CC(=O)c2ccc(C)s2)c[nH+]1 ZINC001459265430 985430675 /nfs/dbraw/zinc/43/06/75/985430675.db2.gz XKBGFEOFMWMINP-UHFFFAOYSA-N 1 2 234.324 2.698 20 0 BFADLO OCCc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001243847361 985463175 /nfs/dbraw/zinc/46/31/75/985463175.db2.gz VLZAZGXDZKEHKV-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO Cc1cc(-c2ccc(CCO)cc2)cc(C)[nH+]1 ZINC001243849500 985480321 /nfs/dbraw/zinc/48/03/21/985480321.db2.gz QQNSQYPXKOOQEN-UHFFFAOYSA-N 1 2 227.307 2.900 20 0 BFADLO C[C@H](Cc1ccco1)[N@@H+]1C[C@@H](F)C[C@H]1CF ZINC001258184676 985581295 /nfs/dbraw/zinc/58/12/95/985581295.db2.gz ABYFASQBCJDROY-VWYCJHECSA-N 1 2 229.270 2.593 20 0 BFADLO C[C@H](Cc1ccco1)[N@H+]1C[C@@H](F)C[C@H]1CF ZINC001258184676 985581310 /nfs/dbraw/zinc/58/13/10/985581310.db2.gz ABYFASQBCJDROY-VWYCJHECSA-N 1 2 229.270 2.593 20 0 BFADLO Cn1c[nH+]cc1-c1cc(F)nc(C(F)(F)F)c1 ZINC001243910152 985592263 /nfs/dbraw/zinc/59/22/63/985592263.db2.gz JXNGGHFVVONWLB-UHFFFAOYSA-N 1 2 245.179 2.640 20 0 BFADLO CN(C)c1cc[nH+]c(-c2cccc3nc[nH]c32)c1 ZINC001243929589 985600044 /nfs/dbraw/zinc/60/00/44/985600044.db2.gz UFFCEJAXQYIOSN-UHFFFAOYSA-N 1 2 238.294 2.691 20 0 BFADLO FC(F)(F)c1cccnc1C1=C[NH2+]CCC1 ZINC001243946986 985621617 /nfs/dbraw/zinc/62/16/17/985621617.db2.gz BPTPXOSCYRAYFH-UHFFFAOYSA-N 1 2 228.217 2.825 20 0 BFADLO Cc1ccc2ncc(C3=C[NH2+]CCC3)nc2c1 ZINC001243947553 985623404 /nfs/dbraw/zinc/62/34/04/985623404.db2.gz LAHXHKWIFSYTGJ-UHFFFAOYSA-N 1 2 225.295 2.663 20 0 BFADLO Cc1cccc2ncc(C3=C[NH2+]CCC3)nc12 ZINC001243947544 985625139 /nfs/dbraw/zinc/62/51/39/985625139.db2.gz KXZPWQDBZLLVPH-UHFFFAOYSA-N 1 2 225.295 2.663 20 0 BFADLO FC(F)c1cccnc1C1=C[NH2+]CCC1 ZINC001243948682 985630672 /nfs/dbraw/zinc/63/06/72/985630672.db2.gz CXZWWGCOAMMCGV-UHFFFAOYSA-N 1 2 210.227 2.744 20 0 BFADLO CC(C)Sc1ccc(C2=C[NH2+]CCC2)nn1 ZINC001243949133 985637446 /nfs/dbraw/zinc/63/74/46/985637446.db2.gz RRPIMVQSOOEFTI-UHFFFAOYSA-N 1 2 235.356 2.701 20 0 BFADLO CC(C)Oc1cccnc1C1=C[NH2+]CCC1 ZINC001243949172 985638394 /nfs/dbraw/zinc/63/83/94/985638394.db2.gz KAVDPXQUDKXIHS-UHFFFAOYSA-N 1 2 218.300 2.593 20 0 BFADLO CNc1cc(-c2ccc(O)cc2OC)cc[nH+]1 ZINC001243978591 985708651 /nfs/dbraw/zinc/70/86/51/985708651.db2.gz BSLDOZHWBCRCJB-UHFFFAOYSA-N 1 2 230.267 2.505 20 0 BFADLO Cc1c[nH+]c(-c2c(O)cccc2Cl)cc1N ZINC001244033484 985769700 /nfs/dbraw/zinc/76/97/00/985769700.db2.gz DKVMZNOKDWIFNA-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Oc1c(F)cc(-c2cc[nH+]c3c2CCN3)cc1F ZINC001244098584 985814934 /nfs/dbraw/zinc/81/49/34/985814934.db2.gz MEJGXXKGDYSZJQ-UHFFFAOYSA-N 1 2 248.232 2.700 20 0 BFADLO CO[C@@H]1CC=C(Nc2cc(C)cc[nH+]2)CC1 ZINC001212871856 985816309 /nfs/dbraw/zinc/81/63/09/985816309.db2.gz DQKGPKWWKFYWHR-GFCCVEGCSA-N 1 2 218.300 2.885 20 0 BFADLO Cc1ncc(C2CC2)cc1-c1ccc[nH+]c1N ZINC001244139336 985842795 /nfs/dbraw/zinc/84/27/95/985842795.db2.gz IQCDLWBAWPCBJM-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Cc1cc(C)c(-c2cc[nH+]c3c2CCN3)cn1 ZINC001244150912 985861862 /nfs/dbraw/zinc/86/18/62/985861862.db2.gz QMNIPVPMBUAIPI-UHFFFAOYSA-N 1 2 225.295 2.728 20 0 BFADLO COCc1ccc(C)c(-c2ccc(N)[nH+]c2)c1 ZINC001244170333 985875341 /nfs/dbraw/zinc/87/53/41/985875341.db2.gz FLRSGXDJOXUOKG-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Cc1nn(C)c2cc(-c3ccc[nH+]c3N)ccc12 ZINC001244228245 985896025 /nfs/dbraw/zinc/89/60/25/985896025.db2.gz HCRLZEYSRBLEHF-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO COc1nscc1C[N@H+](C)[C@H]1C=CCCC1 ZINC001460834853 985905635 /nfs/dbraw/zinc/90/56/35/985905635.db2.gz ZQQAWWWUOQVHCK-NSHDSACASA-N 1 2 238.356 2.692 20 0 BFADLO COc1nscc1C[N@@H+](C)[C@H]1C=CCCC1 ZINC001460834853 985905651 /nfs/dbraw/zinc/90/56/51/985905651.db2.gz ZQQAWWWUOQVHCK-NSHDSACASA-N 1 2 238.356 2.692 20 0 BFADLO C[C@@H]([NH2+]CC(=O)OCc1ccccc1)C1(C)CC1 ZINC001460891416 985920424 /nfs/dbraw/zinc/92/04/24/985920424.db2.gz RMZPMNAEQJHZOF-GFCCVEGCSA-N 1 2 247.338 2.508 20 0 BFADLO Cc1cccc(CCC[N@H+]2CC(=O)CC[C@H]2C)c1 ZINC001460881515 985921019 /nfs/dbraw/zinc/92/10/19/985921019.db2.gz CWKRJJOTQQUCRB-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1cccc(CCC[N@@H+]2CC(=O)CC[C@H]2C)c1 ZINC001460881515 985921028 /nfs/dbraw/zinc/92/10/28/985921028.db2.gz CWKRJJOTQQUCRB-CQSZACIVSA-N 1 2 245.366 2.981 20 0 BFADLO CC(=CC=C[NH3+])c1cccc2[nH]c(=O)ccc21 ZINC001244316349 985947496 /nfs/dbraw/zinc/94/74/96/985947496.db2.gz DCTLSSXTSDBLSQ-LQIBPGRFSA-N 1 2 226.279 2.816 20 0 BFADLO CC[NH+](CC)c1ccc(Nc2nnc(C)o2)cc1 ZINC001212968136 986084994 /nfs/dbraw/zinc/08/49/94/986084994.db2.gz LRJVJEVKZBDAJZ-UHFFFAOYSA-N 1 2 246.314 2.968 20 0 BFADLO CNc1cc(-c2cc(O)ccc2C)cc[nH+]1 ZINC001244451323 986121713 /nfs/dbraw/zinc/12/17/13/986121713.db2.gz ZKMAOBCGUWLBKD-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO COCOc1ccc(C)c(-c2ccc[nH+]c2N)c1 ZINC001244457144 986130297 /nfs/dbraw/zinc/13/02/97/986130297.db2.gz YCWJFIQCJIQDJF-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Oc1cc(Cl)ccc1-c1cc[nH+]c2c1CCN2 ZINC001244472145 986152190 /nfs/dbraw/zinc/15/21/90/986152190.db2.gz LHVJHROCIAOKHW-UHFFFAOYSA-N 1 2 246.697 2.718 20 0 BFADLO Nc1cc[nH+]c(-c2cc(F)c(O)c(Cl)c2)c1 ZINC001244499300 986210847 /nfs/dbraw/zinc/21/08/47/986210847.db2.gz DMYHBYNXUAIFND-UHFFFAOYSA-N 1 2 238.649 2.829 20 0 BFADLO Cc1cc(Cl)c(N)c(-c2c[nH+]cn2C)c1 ZINC001244570973 986260285 /nfs/dbraw/zinc/26/02/85/986260285.db2.gz WZWXQQWWROTPSI-UHFFFAOYSA-N 1 2 221.691 2.631 20 0 BFADLO Cc1cc(CO)ccc1-c1cccn2cc[nH+]c12 ZINC001244581727 986267509 /nfs/dbraw/zinc/26/75/09/986267509.db2.gz JTUXVECTFDSRJJ-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1ccc(-c2cc(C)c(CO)c(C)c2)[nH+]c1N ZINC001244686806 986305129 /nfs/dbraw/zinc/30/51/29/986305129.db2.gz UQHJCRHPRRGZOJ-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Cc1c(F)cncc1-c1cc[nH+]c2c1CCN2 ZINC001244837687 986381189 /nfs/dbraw/zinc/38/11/89/986381189.db2.gz WOIFTFHJKWKCPP-UHFFFAOYSA-N 1 2 229.258 2.559 20 0 BFADLO CC1([NH2+]Cc2cc(Cl)ccc2Cl)COC1 ZINC001462495366 986405099 /nfs/dbraw/zinc/40/50/99/986405099.db2.gz GBCCPUYPFKOUER-UHFFFAOYSA-N 1 2 246.137 2.872 20 0 BFADLO CSc1ncc(C)cc1/C(C)=C/C=C/[NH3+] ZINC001244881140 986411729 /nfs/dbraw/zinc/41/17/29/986411729.db2.gz PVSNSNVLSGOXKI-GQYICFGZSA-N 1 2 220.341 2.988 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnc(Br)s1 ZINC001244903202 986435342 /nfs/dbraw/zinc/43/53/42/986435342.db2.gz IABJDCHXNOAMJV-PIXFVPMGSA-N 1 2 245.145 2.781 20 0 BFADLO Cc1cc(Cl)ncc1-c1ccc[nH+]c1N ZINC001244915384 986465737 /nfs/dbraw/zinc/46/57/37/986465737.db2.gz FRPKYEAJFOVZKE-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO CNc1cc(-c2ccc3cnoc3c2)cc[nH+]1 ZINC001244974376 986554864 /nfs/dbraw/zinc/55/48/64/986554864.db2.gz XKWVSKQMIMYKMY-UHFFFAOYSA-N 1 2 225.251 2.932 20 0 BFADLO CNc1cc(-c2cc(C)nc(F)c2)cc[nH+]1 ZINC001244976253 986557865 /nfs/dbraw/zinc/55/78/65/986557865.db2.gz RTJSZZGBJWQITG-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO CNc1cc(-c2ccc(F)nc2C)cc[nH+]1 ZINC001244975234 986560221 /nfs/dbraw/zinc/56/02/21/986560221.db2.gz GOOFRJCPHJGMNU-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO CNc1cc(-c2ccc(=O)n(C(C)C)c2)cc[nH+]1 ZINC001244976708 986563122 /nfs/dbraw/zinc/56/31/22/986563122.db2.gz SHGMTNDVKWNGOG-UHFFFAOYSA-N 1 2 243.310 2.533 20 0 BFADLO CNc1cc(-c2cc(F)c3nccn3c2)cc[nH+]1 ZINC001244976711 986563457 /nfs/dbraw/zinc/56/34/57/986563457.db2.gz FGLCTKLNSFZRHI-UHFFFAOYSA-N 1 2 242.257 2.577 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])c(Cl)cn1 ZINC001245039726 986603802 /nfs/dbraw/zinc/60/38/02/986603802.db2.gz NJAYXJGUAMXGIT-MSLMYCKWSA-N 1 2 224.691 2.619 20 0 BFADLO Nc1cc[nH+]c(-c2cc(Cl)ccc2O)c1 ZINC001245051605 986608630 /nfs/dbraw/zinc/60/86/30/986608630.db2.gz MAJFVPTYLDLJMO-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Nc1[nH+]cccc1-c1cc(Cl)ccc1O ZINC001245050864 986609571 /nfs/dbraw/zinc/60/95/71/986609571.db2.gz OOXSNHTUZUEZKK-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO CSCC[N@H+](C)Cc1csc(Cl)n1 ZINC000379342407 986636543 /nfs/dbraw/zinc/63/65/43/986636543.db2.gz DVDVTDKNPXDUSU-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO CSCC[N@@H+](C)Cc1csc(Cl)n1 ZINC000379342407 986636545 /nfs/dbraw/zinc/63/65/45/986636545.db2.gz DVDVTDKNPXDUSU-UHFFFAOYSA-N 1 2 236.793 2.591 20 0 BFADLO Cc1c(C[N@H+]2C[C@@H](F)C[C@H]2C)nc2ccccn12 ZINC001137268594 986708681 /nfs/dbraw/zinc/70/86/81/986708681.db2.gz YDXXHRMSMLAMQR-PWSUYJOCSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1c(C[N@@H+]2C[C@@H](F)C[C@H]2C)nc2ccccn12 ZINC001137268594 986708695 /nfs/dbraw/zinc/70/86/95/986708695.db2.gz YDXXHRMSMLAMQR-PWSUYJOCSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1c(CN2C[C@@H](F)C[C@H]2C)[nH+]c2ccccn12 ZINC001137268594 986708710 /nfs/dbraw/zinc/70/87/10/986708710.db2.gz YDXXHRMSMLAMQR-PWSUYJOCSA-N 1 2 247.317 2.575 20 0 BFADLO Nc1cc(-c2cncc(OCC3CC3)c2)cc[nH+]1 ZINC001245243922 986759357 /nfs/dbraw/zinc/75/93/57/986759357.db2.gz NIPIHFSHKNAVQE-UHFFFAOYSA-N 1 2 241.294 2.515 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cncc(OCC2CC2)c1 ZINC001245243925 986759464 /nfs/dbraw/zinc/75/94/64/986759464.db2.gz NKHNSZYIJRRGIW-OJTWMYIASA-N 1 2 230.311 2.746 20 0 BFADLO CCOc1cc(-c2cccc3[nH+]ccn32)ccn1 ZINC001245267959 986773412 /nfs/dbraw/zinc/77/34/12/986773412.db2.gz XISLJIMKFCJORO-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)Cc1ccno1 ZINC001137378735 986843703 /nfs/dbraw/zinc/84/37/03/986843703.db2.gz CWWFVJVOBXEGQX-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)Cc1ccno1 ZINC001137378735 986843709 /nfs/dbraw/zinc/84/37/09/986843709.db2.gz CWWFVJVOBXEGQX-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO Cn1cc(-c2ccn3cc[nH+]c3c2)c2ccncc21 ZINC001245488759 986867551 /nfs/dbraw/zinc/86/75/51/986867551.db2.gz GULUIGFPIZHEJA-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Clc1ncccc1C[NH+]1CC2(CCC2)C1 ZINC001137421254 986888055 /nfs/dbraw/zinc/88/80/55/986888055.db2.gz MZAPJNLPHFBDMB-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cccnc2Cl)C1 ZINC001137421200 986890029 /nfs/dbraw/zinc/89/00/29/986890029.db2.gz LCUMTFZUZPQGMS-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccnc2Cl)C1 ZINC001137421200 986890034 /nfs/dbraw/zinc/89/00/34/986890034.db2.gz LCUMTFZUZPQGMS-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1cc(-c2nccc3occc32)c[nH+]c1N ZINC001245535262 986909067 /nfs/dbraw/zinc/90/90/67/986909067.db2.gz NDRDPPFDOYXTMP-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(-c2ccc(OC(C)C)cn2)c[nH+]c1N ZINC001245536239 986912523 /nfs/dbraw/zinc/91/25/23/986912523.db2.gz SKBLWPNBGBEERA-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Cc1cc(-c2ccc(C3CC3)cn2)c[nH+]c1N ZINC001245536185 986912958 /nfs/dbraw/zinc/91/29/58/986912958.db2.gz MNSSDGQGHGDUOK-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Cc1cc2nc(-c3c[nH+]c(N)c(C)c3)ccc2[nH]1 ZINC001245536635 986913862 /nfs/dbraw/zinc/91/38/62/986913862.db2.gz VVOLZEIOXWGSHL-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2ccc(C(F)F)nc2)c[nH+]c1N ZINC001245536777 986914137 /nfs/dbraw/zinc/91/41/37/986914137.db2.gz MLQAHJDRHYVOEG-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO Cc1cc(-c2ccc3c(n2)CCC3)c[nH+]c1N ZINC001245537164 986922547 /nfs/dbraw/zinc/92/25/47/986922547.db2.gz ZEJWKJDHUXOEBK-UHFFFAOYSA-N 1 2 225.295 2.523 20 0 BFADLO Cc1cc(-c2ncccc2C2CC2)c[nH+]c1N ZINC001245539506 986928311 /nfs/dbraw/zinc/92/83/11/986928311.db2.gz GLGIQGWRWCUKJX-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Nc1cc[nH+]c(-c2c(F)ccc(O)c2Cl)c1 ZINC001245828322 987090998 /nfs/dbraw/zinc/09/09/98/987090998.db2.gz SNYVQTVPCVDKQU-UHFFFAOYSA-N 1 2 238.649 2.829 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(Cl)n1 ZINC001245874362 987097487 /nfs/dbraw/zinc/09/74/87/987097487.db2.gz VYQWQNUNTZSIQK-FCXRPNKRSA-N 1 2 224.691 2.619 20 0 BFADLO COc1cc[nH+]cc1NCc1ccc(Cl)cn1 ZINC001474080368 987640790 /nfs/dbraw/zinc/64/07/90/987640790.db2.gz YHQOFSGAVZKJMG-UHFFFAOYSA-N 1 2 249.701 2.751 20 0 BFADLO Fc1ccc2onc(C[NH2+]Cc3ccoc3)c2c1 ZINC001474240599 987665665 /nfs/dbraw/zinc/66/56/65/987665665.db2.gz JXFSKFHLXYRVOD-UHFFFAOYSA-N 1 2 246.241 2.850 20 0 BFADLO CC(C)CCCC[N@@H+](CC(F)F)C[C@@H](C)O ZINC001474525829 987747852 /nfs/dbraw/zinc/74/78/52/987747852.db2.gz MQNSFWLLXQMDMA-LLVKDONJSA-N 1 2 237.334 2.761 20 0 BFADLO Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccon1 ZINC001117364344 987827982 /nfs/dbraw/zinc/82/79/82/987827982.db2.gz VFJKSOXXBKZROZ-JTQLQIEISA-N 1 2 249.701 2.500 20 0 BFADLO Cc1ccc(C[N@@H+](C)CC(=O)OC(C)C)cc1C ZINC001117761900 987895737 /nfs/dbraw/zinc/89/57/37/987895737.db2.gz NLTYHSNCKAPSSX-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1ccc(C[N@H+](C)CC(=O)OC(C)C)cc1C ZINC001117761900 987895741 /nfs/dbraw/zinc/89/57/41/987895741.db2.gz NLTYHSNCKAPSSX-UHFFFAOYSA-N 1 2 249.354 2.687 20 0 BFADLO Cc1cc(N[C@H]2C[C@@](C)(O)C2)[nH+]c2ccccc12 ZINC001117972559 987973921 /nfs/dbraw/zinc/97/39/21/987973921.db2.gz VZJWVQNLMDNISN-WGRBQBNCSA-N 1 2 242.322 2.869 20 0 BFADLO CC1(C)CN(c2cc(NC3CC3)[nH+]cn2)C1(C)C ZINC001118004001 987980087 /nfs/dbraw/zinc/98/00/87/987980087.db2.gz MIUBBJXFCFPRLK-UHFFFAOYSA-N 1 2 246.358 2.676 20 0 BFADLO CC1(C)CN(c2cc(NC3CC3)nc[nH+]2)C1(C)C ZINC001118004001 987980098 /nfs/dbraw/zinc/98/00/98/987980098.db2.gz MIUBBJXFCFPRLK-UHFFFAOYSA-N 1 2 246.358 2.676 20 0 BFADLO CC(C)N(C(=O)[C@@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001322756158 988377633 /nfs/dbraw/zinc/37/76/33/988377633.db2.gz FTMHMNNNTUTRNI-GFCCVEGCSA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)OC(=O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC001323792818 988613806 /nfs/dbraw/zinc/61/38/06/988613806.db2.gz UVYSGLLYVSZNGB-STQMWFEESA-N 1 2 249.354 2.720 20 0 BFADLO Cc1ccc2c(c1)[nH+]c(CCCO)n2CC1CC1 ZINC001247045998 988852205 /nfs/dbraw/zinc/85/22/05/988852205.db2.gz LGJKSCKLBDUUDE-UHFFFAOYSA-N 1 2 244.338 2.680 20 0 BFADLO CCc1nn(C[N@H+](C)C[C@@H](C)CC)c(=S)o1 ZINC001119326535 988955536 /nfs/dbraw/zinc/95/55/36/988955536.db2.gz UPBHPCQFDGBQRY-VIFPVBQESA-N 1 2 243.376 2.703 20 0 BFADLO CCc1nn(C[N@@H+](C)C[C@@H](C)CC)c(=S)o1 ZINC001119326535 988955517 /nfs/dbraw/zinc/95/55/17/988955517.db2.gz UPBHPCQFDGBQRY-VIFPVBQESA-N 1 2 243.376 2.703 20 0 BFADLO CCOC[C@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001515459901 989054688 /nfs/dbraw/zinc/05/46/88/989054688.db2.gz RPYTVFJGSGWTTG-AWEZNQCLSA-N 1 2 248.370 2.897 20 0 BFADLO C[C@H]1C[N@H+](Cc2c3ccoc3ccc2F)CCO1 ZINC001248528512 989114479 /nfs/dbraw/zinc/11/44/79/989114479.db2.gz PBCFPIHJKUHVPN-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO C[C@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCO1 ZINC001248528512 989114484 /nfs/dbraw/zinc/11/44/84/989114484.db2.gz PBCFPIHJKUHVPN-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)Cc2ccoc2C)c1C ZINC001119508273 989118095 /nfs/dbraw/zinc/11/80/95/989118095.db2.gz YVDWYHWKQJILQS-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)Cc2ccoc2C)c1C ZINC001119508273 989118100 /nfs/dbraw/zinc/11/81/00/989118100.db2.gz YVDWYHWKQJILQS-UHFFFAOYSA-N 1 2 233.315 2.560 20 0 BFADLO COc1nccc(Cl)c1C[N@H+](C)C(C)C ZINC001248791710 989146069 /nfs/dbraw/zinc/14/60/69/989146069.db2.gz QFXFVACXNMBZCJ-UHFFFAOYSA-N 1 2 228.723 2.584 20 0 BFADLO COc1nccc(Cl)c1C[N@@H+](C)C(C)C ZINC001248791710 989146075 /nfs/dbraw/zinc/14/60/75/989146075.db2.gz QFXFVACXNMBZCJ-UHFFFAOYSA-N 1 2 228.723 2.584 20 0 BFADLO Cc1coc(C(=O)Nc2cc(C)[nH+]cc2C)c1C ZINC001325328020 989161141 /nfs/dbraw/zinc/16/11/41/989161141.db2.gz JWOXGFFNXBMCPC-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1ccc2[nH]c(C[NH+]3CCC(F)CC3)nc2c1 ZINC001248839302 989192937 /nfs/dbraw/zinc/19/29/37/989192937.db2.gz DADBAFCVTNEIFX-UHFFFAOYSA-N 1 2 247.317 2.805 20 0 BFADLO Cc1ccc2nc(C[NH+]3CCC(F)CC3)[nH]c2c1 ZINC001248839302 989192941 /nfs/dbraw/zinc/19/29/41/989192941.db2.gz DADBAFCVTNEIFX-UHFFFAOYSA-N 1 2 247.317 2.805 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C/C(C)(C)C ZINC001518047351 989276139 /nfs/dbraw/zinc/27/61/39/989276139.db2.gz FHEZXQJYFXKLBU-VOTSOKGWSA-N 1 2 236.315 2.549 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001249476182 989291253 /nfs/dbraw/zinc/29/12/53/989291253.db2.gz HOOVAUQYDODJFJ-OKILXGFUSA-N 1 2 248.370 2.675 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001249476182 989291262 /nfs/dbraw/zinc/29/12/62/989291262.db2.gz HOOVAUQYDODJFJ-OKILXGFUSA-N 1 2 248.370 2.675 20 0 BFADLO CCC(C)(C)CC(=O)Nc1c(C)c[nH+]cc1C ZINC001518383232 989302379 /nfs/dbraw/zinc/30/23/79/989302379.db2.gz CQXFEUGVZLMZRA-UHFFFAOYSA-N 1 2 234.343 2.885 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1nc(C2CC2)cs1 ZINC001249526941 989302736 /nfs/dbraw/zinc/30/27/36/989302736.db2.gz GPUZKRCSDLNWCX-MRVPVSSYSA-N 1 2 208.330 2.615 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1nc(C2CC2)cs1 ZINC001249526941 989302756 /nfs/dbraw/zinc/30/27/56/989302756.db2.gz GPUZKRCSDLNWCX-MRVPVSSYSA-N 1 2 208.330 2.615 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ncccn1)c1cccc(O)c1 ZINC001119851607 989447967 /nfs/dbraw/zinc/44/79/67/989447967.db2.gz NGUQGBIWAYLZRH-MNOVXSKESA-N 1 2 243.310 2.594 20 0 BFADLO CC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)CCS1 ZINC001120901794 989942240 /nfs/dbraw/zinc/94/22/40/989942240.db2.gz UKZKDAJVLSDXLX-LLVKDONJSA-N 1 2 240.347 2.861 20 0 BFADLO CCc1ccc(N2CCC(CCCO)CC2)[nH+]c1 ZINC001120921157 989968907 /nfs/dbraw/zinc/96/89/07/989968907.db2.gz LLVLFVPJKDDCGI-UHFFFAOYSA-N 1 2 248.370 2.633 20 0 BFADLO CCc1ccc(N2CC[C@@]3(C2)CCCOC3)[nH+]c1 ZINC001120933523 989974561 /nfs/dbraw/zinc/97/45/61/989974561.db2.gz SGJHFQYSSYEEOL-OAHLLOKOSA-N 1 2 246.354 2.651 20 0 BFADLO CCNc1ccc(Nc2nc(CC)ns2)c[nH+]1 ZINC001121038620 990002810 /nfs/dbraw/zinc/00/28/10/990002810.db2.gz FMEZWXJHTOYJIC-UHFFFAOYSA-N 1 2 249.343 2.671 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@@H](C)CC(C)C ZINC001527012600 990199141 /nfs/dbraw/zinc/19/91/41/990199141.db2.gz VQTAMDXXJHQJOT-NSHDSACASA-N 1 2 238.331 2.628 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)OCc1c[nH+]cn1CC ZINC001527012329 990199581 /nfs/dbraw/zinc/19/95/81/990199581.db2.gz SGFNLAWYYWZHOZ-WDEREUQCSA-N 1 2 238.331 2.628 20 0 BFADLO CC(C)(COC(=O)[C@@H]1CC=CCC1)n1cc[nH+]c1 ZINC001123057060 990501181 /nfs/dbraw/zinc/50/11/81/990501181.db2.gz YCLJYUUVNKPXLP-GFCCVEGCSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1ccc(C(=O)Nc2c(C)c[nH+]cc2C)s1 ZINC001537886258 990517579 /nfs/dbraw/zinc/51/75/79/990517579.db2.gz YQJYOLHXRXCMEC-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C[C@H]1CC=CCC1 ZINC001123472807 990591472 /nfs/dbraw/zinc/59/14/72/990591472.db2.gz LAJNFXVCFFYVST-LBPRGKRZSA-N 1 2 248.326 2.693 20 0 BFADLO Cc1cc(C)c(NC(=O)N2C[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC001562900498 990791669 /nfs/dbraw/zinc/79/16/69/990791669.db2.gz GBFNBHWCPDHLIK-JOYOIKCWSA-N 1 2 247.342 2.879 20 0 BFADLO CCC[N@H+](C)Cc1csc(Br)n1 ZINC001137576956 990825714 /nfs/dbraw/zinc/82/57/14/990825714.db2.gz GKEBXMVWVAFORT-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CCC[N@@H+](C)Cc1csc(Br)n1 ZINC001137576956 990825716 /nfs/dbraw/zinc/82/57/16/990825716.db2.gz GKEBXMVWVAFORT-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO CC/C=C(/F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001556482315 990831147 /nfs/dbraw/zinc/83/11/47/990831147.db2.gz ZHXYSIYHQFMHKT-XCVCLJGOSA-N 1 2 233.246 2.536 20 0 BFADLO Fc1ccc(C[N@H+]2CCCC[C@H](F)C2)cn1 ZINC001137735219 990845514 /nfs/dbraw/zinc/84/55/14/990845514.db2.gz JOKFMHDBMBTVME-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cn1 ZINC001137735219 990845515 /nfs/dbraw/zinc/84/55/15/990845515.db2.gz JOKFMHDBMBTVME-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO COCC[N@H+](Cc1scnc1Cl)C(C)C ZINC001137821431 990852341 /nfs/dbraw/zinc/85/23/41/990852341.db2.gz OQOJTZMOYYMDJM-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCC[N@@H+](Cc1scnc1Cl)C(C)C ZINC001137821431 990852343 /nfs/dbraw/zinc/85/23/43/990852343.db2.gz OQOJTZMOYYMDJM-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001137991440 990873249 /nfs/dbraw/zinc/87/32/49/990873249.db2.gz KBVKVKGEIDOMMA-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(F)c(C[N@H+]2C[C@@H](F)C[C@H]2C)c1 ZINC001137991440 990873251 /nfs/dbraw/zinc/87/32/51/990873251.db2.gz KBVKVKGEIDOMMA-KOLCDFICSA-N 1 2 241.281 2.767 20 0 BFADLO COc1ccc(C)cc1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001138485435 990962259 /nfs/dbraw/zinc/96/22/59/990962259.db2.gz SRYUHPIJKYUROW-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C)cc1C[N@H+]1CCC(=O)C[C@H]1C ZINC001138485435 990962267 /nfs/dbraw/zinc/96/22/67/990962267.db2.gz SRYUHPIJKYUROW-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CCn1ccc(CNc2ccc(C)[nH+]c2C)n1 ZINC001308340593 990967579 /nfs/dbraw/zinc/96/75/79/990967579.db2.gz ZQLYWUGLPSGXMW-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Fc1ccc(Cl)c(C[NH+]2CC=CC2)c1 ZINC001138670667 991002716 /nfs/dbraw/zinc/00/27/16/991002716.db2.gz HKBPGGSWROIIAW-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO Cc1nocc1NCc1c[nH+]c2c(C)cccn12 ZINC001308505450 991015009 /nfs/dbraw/zinc/01/50/09/991015009.db2.gz GSHZDFOAFZNYHI-UHFFFAOYSA-N 1 2 242.282 2.551 20 0 BFADLO CCc1csc(Nc2ccc(N(C)C)[nH+]c2)n1 ZINC001559061574 991028797 /nfs/dbraw/zinc/02/87/97/991028797.db2.gz OUEREYGOVWNYHZ-UHFFFAOYSA-N 1 2 248.355 2.910 20 0 BFADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccnc1F ZINC001138793244 991057707 /nfs/dbraw/zinc/05/77/07/991057707.db2.gz GBTFSFRETXFUIF-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccnc1F ZINC001138793244 991057716 /nfs/dbraw/zinc/05/77/16/991057716.db2.gz GBTFSFRETXFUIF-NSHDSACASA-N 1 2 245.301 2.599 20 0 BFADLO Clc1cc(C[NH+]2CC3(CCC3)C2)ccn1 ZINC001138816530 991071703 /nfs/dbraw/zinc/07/17/03/991071703.db2.gz WWOLKTPOFXUBQQ-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO CCc1cn(C/C(Cl)=C\Cl)c[nH+]1 ZINC001559465921 991110740 /nfs/dbraw/zinc/11/07/40/991110740.db2.gz GJVQNBIYJXWEKF-XVNBXDOJSA-N 1 2 205.088 2.765 20 0 BFADLO CCc1cn(C/C(Cl)=C/Cl)c[nH+]1 ZINC001559465920 991113254 /nfs/dbraw/zinc/11/32/54/991113254.db2.gz GJVQNBIYJXWEKF-CLTKARDFSA-N 1 2 205.088 2.765 20 0 BFADLO CCc1cn(Cc2cccc(F)c2)c[nH+]1 ZINC001559466409 991114343 /nfs/dbraw/zinc/11/43/43/991114343.db2.gz SAQCTFCTPRJBMW-UHFFFAOYSA-N 1 2 204.248 2.633 20 0 BFADLO C[C@@]1(C[N@@H+]2CCCC(F)(F)C2)CCCCO1 ZINC001308848843 991171840 /nfs/dbraw/zinc/17/18/40/991171840.db2.gz DCRZNDJASWEUNR-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO C[C@@]1(C[N@H+]2CCCC(F)(F)C2)CCCCO1 ZINC001308848843 991171850 /nfs/dbraw/zinc/17/18/50/991171850.db2.gz DCRZNDJASWEUNR-NSHDSACASA-N 1 2 233.302 2.677 20 0 BFADLO CC[C@H]([NH2+]Cc1cnon1)c1ccc(C)c(F)c1 ZINC001559709090 991223306 /nfs/dbraw/zinc/22/33/06/991223306.db2.gz QCCRBYDOICRJGX-ZDUSSCGKSA-N 1 2 249.289 2.758 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+](C)CCF ZINC001139606144 991286040 /nfs/dbraw/zinc/28/60/40/991286040.db2.gz OGJZTVFQYSJXTM-UHFFFAOYSA-N 1 2 225.307 2.795 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+](C)CCF ZINC001139606144 991286050 /nfs/dbraw/zinc/28/60/50/991286050.db2.gz OGJZTVFQYSJXTM-UHFFFAOYSA-N 1 2 225.307 2.795 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cnc3cccnc3c2)C1 ZINC001139740518 991351316 /nfs/dbraw/zinc/35/13/16/991351316.db2.gz CRGRIOAUIBMKJW-LBPRGKRZSA-N 1 2 245.301 2.564 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cnc3cccnc3c2)C1 ZINC001139740518 991351320 /nfs/dbraw/zinc/35/13/20/991351320.db2.gz CRGRIOAUIBMKJW-LBPRGKRZSA-N 1 2 245.301 2.564 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2C(F)F)CCO1 ZINC001139795387 991372109 /nfs/dbraw/zinc/37/21/09/991372109.db2.gz GTDXDXRGBGZSTN-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2C(F)F)CCO1 ZINC001139795387 991372113 /nfs/dbraw/zinc/37/21/13/991372113.db2.gz GTDXDXRGBGZSTN-SNVBAGLBSA-N 1 2 241.281 2.845 20 0 BFADLO CCCCC[C@H](CC)N1CC[NH2+]CC(F)(F)C1 ZINC001258439701 991381526 /nfs/dbraw/zinc/38/15/26/991381526.db2.gz LMZWKDMUMXZEHH-LBPRGKRZSA-N 1 2 248.361 2.886 20 0 BFADLO Fc1cc(C[N@H+]2CCCC[C@H](F)C2)ccn1 ZINC001139830884 991386570 /nfs/dbraw/zinc/38/65/70/991386570.db2.gz NEUMTUXBCTYGTE-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cc(C[N@@H+]2CCCC[C@H](F)C2)ccn1 ZINC001139830884 991386574 /nfs/dbraw/zinc/38/65/74/991386574.db2.gz NEUMTUXBCTYGTE-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO CCCCC[C@@H](CC)[N@@H+]1CCC(=O)[C@@H](F)C1 ZINC001258446194 991387861 /nfs/dbraw/zinc/38/78/61/991387861.db2.gz ORDDXAKRSKZBTG-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](CC)[N@H+]1CCC(=O)[C@@H](F)C1 ZINC001258446194 991387870 /nfs/dbraw/zinc/38/78/70/991387870.db2.gz ORDDXAKRSKZBTG-NEPJUHHUSA-N 1 2 229.339 2.958 20 0 BFADLO COc1c(Cl)cccc1C[N@H+](C)CCF ZINC001140065383 991518249 /nfs/dbraw/zinc/51/82/49/991518249.db2.gz GTNBYYXSUPQIHI-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO COc1c(Cl)cccc1C[N@@H+](C)CCF ZINC001140065383 991518260 /nfs/dbraw/zinc/51/82/60/991518260.db2.gz GTNBYYXSUPQIHI-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1ccc(O)cc1F ZINC001140124411 991524186 /nfs/dbraw/zinc/52/41/86/991524186.db2.gz BGCJUNICTXKRQA-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1ccc(O)cc1F ZINC001140124411 991524197 /nfs/dbraw/zinc/52/41/97/991524197.db2.gz BGCJUNICTXKRQA-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2ccc(C)s2)n1 ZINC001560688298 991556673 /nfs/dbraw/zinc/55/66/73/991556673.db2.gz CTWWAZTXNQUSNI-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2ccc(C)s2)n1 ZINC001560688298 991556684 /nfs/dbraw/zinc/55/66/84/991556684.db2.gz CTWWAZTXNQUSNI-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCCn1c[nH+]cc1CN1CCc2ccccc21 ZINC001560707856 991569942 /nfs/dbraw/zinc/56/99/42/991569942.db2.gz WEWLRWRLRUMRCP-UHFFFAOYSA-N 1 2 241.338 2.856 20 0 BFADLO CCSCc1ccc[nH+]c1NC[C@H](C)OC ZINC001560981526 991677419 /nfs/dbraw/zinc/67/74/19/991677419.db2.gz IUHHBWYJUDAOPT-JTQLQIEISA-N 1 2 240.372 2.782 20 0 BFADLO COC1(C(F)(F)F)C[NH+](C[C@H]2CC=CCC2)C1 ZINC001561024094 991690943 /nfs/dbraw/zinc/69/09/43/991690943.db2.gz JASXRRCXFLTXQU-JTQLQIEISA-N 1 2 249.276 2.606 20 0 BFADLO COC1C[NH+]([C@@H](C)Cc2cccc(Cl)c2)C1 ZINC001258745748 991692873 /nfs/dbraw/zinc/69/28/73/991692873.db2.gz VCQNLHUZCOZCBI-JTQLQIEISA-N 1 2 239.746 2.602 20 0 BFADLO COc1ccccc1C[C@H](C)[NH2+][C@H]1CC1(F)F ZINC001258876970 991884392 /nfs/dbraw/zinc/88/43/92/991884392.db2.gz BQRHJJRNUQDZDP-CABZTGNLSA-N 1 2 241.281 2.623 20 0 BFADLO Cc1n[nH]cc1[C@H](C)Nc1ccc(C)[nH+]c1C ZINC001319907842 992030216 /nfs/dbraw/zinc/03/02/16/992030216.db2.gz VKANVAITLTUYMS-VIFPVBQESA-N 1 2 230.315 2.903 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001320179018 992122320 /nfs/dbraw/zinc/12/23/20/992122320.db2.gz HTDPSZUPECXTCV-XQQFMLRXSA-N 1 2 249.358 2.529 20 0 BFADLO CC(C)CCCC[NH2+][C@H](c1cn[nH]n1)C(C)C ZINC001575376789 993027840 /nfs/dbraw/zinc/02/78/40/993027840.db2.gz XAFNPIZVGCZPSB-ZDUSSCGKSA-N 1 2 238.379 2.918 20 0 BFADLO CC(C)CCCC[NH2+][C@H](c1c[nH]nn1)C(C)C ZINC001575376789 993027846 /nfs/dbraw/zinc/02/78/46/993027846.db2.gz XAFNPIZVGCZPSB-ZDUSSCGKSA-N 1 2 238.379 2.918 20 0 BFADLO CCC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)CCO1 ZINC001262688922 993029485 /nfs/dbraw/zinc/02/94/85/993029485.db2.gz IKQVWANDLUVAAP-GFCCVEGCSA-N 1 2 238.306 2.534 20 0 BFADLO CCc1ccc(N2CCC[C@H]2[C@@H]2CCCO2)[nH+]c1 ZINC001262695721 993036407 /nfs/dbraw/zinc/03/64/07/993036407.db2.gz KLKPCDMDWWOMFX-KBPBESRZSA-N 1 2 246.354 2.792 20 0 BFADLO Cc1coc(C)c1C(=O)Nc1c(C)c[nH+]cc1C ZINC001262805150 993068949 /nfs/dbraw/zinc/06/89/49/993068949.db2.gz GPZNXCOHGWIJSX-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO C/C=C(/CC)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263542463 993376276 /nfs/dbraw/zinc/37/62/76/993376276.db2.gz IELBQNYPHNNYAM-WZUFQYTHSA-N 1 2 236.315 2.518 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2cc[nH]c2c1 ZINC000381520392 993402704 /nfs/dbraw/zinc/40/27/04/993402704.db2.gz WQGMHRZPBCAVLF-UHFFFAOYSA-N 1 2 209.252 2.812 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1=CCCCCC1 ZINC001263662374 993454346 /nfs/dbraw/zinc/45/43/46/993454346.db2.gz ACYPSGBDIHNKHD-UHFFFAOYSA-N 1 2 248.326 2.837 20 0 BFADLO Cc1cc(N[C@H](CO)C(C)C)[nH+]c2ccccc12 ZINC000385135480 993651034 /nfs/dbraw/zinc/65/10/34/993651034.db2.gz KKXJSXLFMZPGGY-CQSZACIVSA-N 1 2 244.338 2.972 20 0 BFADLO CC[C@H](CNc1cc(C)c2ccccc2[nH+]1)OC ZINC000385655458 993666205 /nfs/dbraw/zinc/66/62/05/993666205.db2.gz BITSFAWYDPKGBS-GFCCVEGCSA-N 1 2 244.338 2.802 20 0 BFADLO Cc1ccc(N)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC000387186446 993702152 /nfs/dbraw/zinc/70/21/52/993702152.db2.gz LMOFAKCWZWMCIN-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO CN(C)c1ccc(Nc2ccc(C#N)cc2)c[nH+]1 ZINC000387249732 993706583 /nfs/dbraw/zinc/70/65/83/993706583.db2.gz YQWBDCAOLQBXLC-UHFFFAOYSA-N 1 2 238.294 2.763 20 0 BFADLO CCCCNc1cc(C)[nH+]c(C(C)(C)C)n1 ZINC000390783920 993802796 /nfs/dbraw/zinc/80/27/96/993802796.db2.gz MJEYUWBRTDOXFB-UHFFFAOYSA-N 1 2 221.348 2.716 20 0 BFADLO CCc1cc(N[C@H]2CCCOCC2)nc(CC)[nH+]1 ZINC001333738166 994507178 /nfs/dbraw/zinc/50/71/78/994507178.db2.gz ZPOLYHZVJJAROQ-LBPRGKRZSA-N 1 2 249.358 2.582 20 0 BFADLO CCc1ccc(N2CC3(CCC3)OC[C@H]2C)[nH+]c1 ZINC001336693758 995079490 /nfs/dbraw/zinc/07/94/90/995079490.db2.gz UDBFOLYKHVJZFG-GFCCVEGCSA-N 1 2 246.354 2.792 20 0 BFADLO CCc1cn(Cc2cccc(F)c2F)c[nH+]1 ZINC001307397860 995342884 /nfs/dbraw/zinc/34/28/84/995342884.db2.gz NRHIMIGTNYPCPO-UHFFFAOYSA-N 1 2 222.238 2.772 20 0 BFADLO CCC[C@@H](C)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001307685340 995434555 /nfs/dbraw/zinc/43/45/55/995434555.db2.gz FALRKCGPPKZPOF-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@@H](C)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001307685340 995434562 /nfs/dbraw/zinc/43/45/62/995434562.db2.gz FALRKCGPPKZPOF-NEPJUHHUSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@H](C)CCC[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001307685344 995435552 /nfs/dbraw/zinc/43/55/52/995435552.db2.gz FALRKCGPPKZPOF-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[C@H](C)CCC[N@H+]1CC(F)(F)C[C@H]1CO ZINC001307685344 995435557 /nfs/dbraw/zinc/43/55/57/995435557.db2.gz FALRKCGPPKZPOF-RYUDHWBXSA-N 1 2 249.345 2.905 20 0 BFADLO c1csc(C[NH2+]Cc2cc3cccnc3o2)n1 ZINC001308216990 995597398 /nfs/dbraw/zinc/59/73/98/995597398.db2.gz ZXZIYIIFKQLWNI-UHFFFAOYSA-N 1 2 245.307 2.574 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000649851519 398140317 /nfs/dbraw/zinc/14/03/17/398140317.db2.gz JMAOYOJHKUGYNR-NSHDSACASA-N 1 2 241.281 2.795 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000649851519 398140320 /nfs/dbraw/zinc/14/03/20/398140320.db2.gz JMAOYOJHKUGYNR-NSHDSACASA-N 1 2 241.281 2.795 20 0 BFADLO CCC(CC)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000365696122 168335144 /nfs/dbraw/zinc/33/51/44/168335144.db2.gz QUOHKRVCDYWPSV-NSHDSACASA-N 1 2 235.331 2.509 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3cccc(C)c3C2)no1 ZINC000277291069 178002742 /nfs/dbraw/zinc/00/27/42/178002742.db2.gz SYAVFHQSHOTHFW-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C[N@H+]2CCc3cccc(C)c3C2)no1 ZINC000277291069 178002745 /nfs/dbraw/zinc/00/27/45/178002745.db2.gz SYAVFHQSHOTHFW-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)C(F)F)cc1F ZINC000389968943 398153338 /nfs/dbraw/zinc/15/33/38/398153338.db2.gz QMRKOUGCJZXARK-SSDOTTSWSA-N 1 2 233.233 2.578 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2)no1 ZINC000125622757 178024546 /nfs/dbraw/zinc/02/45/46/178024546.db2.gz UYBCMHZPNSZWKX-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(F)ccc2F)on1 ZINC000044986315 178025477 /nfs/dbraw/zinc/02/54/77/178025477.db2.gz ZJGLWLREZCWGIC-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)on1 ZINC000044985511 178026458 /nfs/dbraw/zinc/02/64/58/178026458.db2.gz YYMVHWMXYZOHKS-NOZJJQNGSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)on1 ZINC000044985505 178026900 /nfs/dbraw/zinc/02/69/00/178026900.db2.gz YYMVHWMXYZOHKS-TVQRCGJNSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cc(C[NH2+]Cc2sccc2Cl)on1 ZINC000193086905 178028778 /nfs/dbraw/zinc/02/87/78/178028778.db2.gz ZMIYAFQAAISZSX-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO C[C@H](Nc1cc(NCC2CC2)[nH+]cn1)C1CC1 ZINC000340018895 398187441 /nfs/dbraw/zinc/18/74/41/398187441.db2.gz FJLVKZWNSFAATM-VIFPVBQESA-N 1 2 232.331 2.509 20 0 BFADLO C[C@H](Nc1cc(NCC2CC2)nc[nH+]1)C1CC1 ZINC000340018895 398187445 /nfs/dbraw/zinc/18/74/45/398187445.db2.gz FJLVKZWNSFAATM-VIFPVBQESA-N 1 2 232.331 2.509 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCO[C@@H]1C ZINC000134092857 178096174 /nfs/dbraw/zinc/09/61/74/178096174.db2.gz KXTJDOZPKFLUBL-RISCZKNCSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1cc(N(C)CC(C)C)nc(C2CC2)[nH+]1 ZINC000265401414 178097231 /nfs/dbraw/zinc/09/72/31/178097231.db2.gz YDTKUQSSCIBULR-UHFFFAOYSA-N 1 2 219.332 2.755 20 0 BFADLO Cc1cc(N(CC(C)C)CC(C)C)nc[nH+]1 ZINC000302077652 178102660 /nfs/dbraw/zinc/10/26/60/178102660.db2.gz WWQXFNXSOJXKGO-UHFFFAOYSA-N 1 2 221.348 2.903 20 0 BFADLO Cc1cc(N2CCCCCCC2)nc[nH+]1 ZINC000301224280 178112237 /nfs/dbraw/zinc/11/22/37/178112237.db2.gz CNFYBFLKOUZHSH-UHFFFAOYSA-N 1 2 205.305 2.556 20 0 BFADLO Cc1cc(N2CCC[C@H]2C2CCC2)nc[nH+]1 ZINC000301232080 178116802 /nfs/dbraw/zinc/11/68/02/178116802.db2.gz JOFVXIYZAMLYMY-LBPRGKRZSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CC[C@@H](CC(C)C)C2)nc[nH+]1 ZINC000301445564 178118151 /nfs/dbraw/zinc/11/81/51/178118151.db2.gz XYFREWJYLSZGDY-LBPRGKRZSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N2CC[C@H](C)C[C@@H](C)C2)nc[nH+]1 ZINC000301791558 178119312 /nfs/dbraw/zinc/11/93/12/178119312.db2.gz ZQTLVELBUMZCFG-WDEREUQCSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N2C[C@H](C)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000267678780 178121338 /nfs/dbraw/zinc/12/13/38/178121338.db2.gz PABKPINCKSFWKF-UWVGGRQHSA-N 1 2 231.343 2.755 20 0 BFADLO Cc1cc(NC(=O)/C=C/C(C)(C)C)cc[nH+]1 ZINC000116761017 178123972 /nfs/dbraw/zinc/12/39/72/178123972.db2.gz GUVAWNMRXUVQED-FNORWQNLSA-N 1 2 218.300 2.931 20 0 BFADLO Cc1cc(NC(=O)CCC2CC2)cc[nH+]1 ZINC000115381837 178128013 /nfs/dbraw/zinc/12/80/13/178128013.db2.gz PCOKCSUXJKWAGE-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1F ZINC000094955368 398207258 /nfs/dbraw/zinc/20/72/58/398207258.db2.gz LAXMVOITCHCCLO-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO Cc1cc(NC(=O)N(C)CC(C)C)cc[nH+]1 ZINC000271080389 178135150 /nfs/dbraw/zinc/13/51/50/178135150.db2.gz QTRJLCKNYGFEEK-UHFFFAOYSA-N 1 2 221.304 2.510 20 0 BFADLO Cc1cc(NC(=O)N2C[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000271179904 178137446 /nfs/dbraw/zinc/13/74/46/178137446.db2.gz ZUBRHAHPGDCYSL-UWVGGRQHSA-N 1 2 233.315 2.510 20 0 BFADLO Cc1cc(NC(=O)N2[C@@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000119839270 178137726 /nfs/dbraw/zinc/13/77/26/178137726.db2.gz SBYCBMRJILPSEM-QWRGUYRKSA-N 1 2 233.315 2.795 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC=CCC2)cc[nH+]1 ZINC000073069115 178144055 /nfs/dbraw/zinc/14/40/55/178144055.db2.gz DARAAZFWAURBAH-LLVKDONJSA-N 1 2 216.284 2.685 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1C ZINC000074702034 178149200 /nfs/dbraw/zinc/14/92/00/178149200.db2.gz AJEWSOBRTSHHQI-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cc(NC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000112072271 178153162 /nfs/dbraw/zinc/15/31/62/178153162.db2.gz DMSOPVZVEUMWAU-UHFFFAOYSA-N 1 2 228.299 2.667 20 0 BFADLO Cc1nc(C(=O)Nc2cc[nH+]c(C)c2)c(C)s1 ZINC000082264847 178153316 /nfs/dbraw/zinc/15/33/16/178153316.db2.gz YAFIXMGUONLEPM-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cc(NCCCOC(C)C)nc(C2CC2)[nH+]1 ZINC000264599894 178159427 /nfs/dbraw/zinc/15/94/27/178159427.db2.gz BGKWWXIJFYUIEE-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1nc(CCNc2cc(C)[nH+]cn2)sc1C ZINC000301665099 178163477 /nfs/dbraw/zinc/16/34/77/178163477.db2.gz LQHJFIPHVFPBQE-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1cc(NC[C@@H]2Cc3ccccc32)nc[nH+]1 ZINC000040727238 178166529 /nfs/dbraw/zinc/16/65/29/178166529.db2.gz UNHDUMNMVIOZLY-LBPRGKRZSA-N 1 2 225.295 2.537 20 0 BFADLO Cc1cc(NC[C@@H]2CCCOC2)nc(C2CC2)[nH+]1 ZINC000172014631 178166804 /nfs/dbraw/zinc/16/68/04/178166804.db2.gz NBFYYBQAQYGJTL-NSHDSACASA-N 1 2 247.342 2.501 20 0 BFADLO Cc1cc(NC[C@@H]2CCc3ccccc32)nc[nH+]1 ZINC000110595818 178167508 /nfs/dbraw/zinc/16/75/08/178167508.db2.gz BBURODAYKLIMFR-ZDUSSCGKSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(NCC2(C)CCCC2)nc[nH+]1 ZINC000082625617 136221844 /nfs/dbraw/zinc/22/18/44/136221844.db2.gz RJDWHTJKXWDYKG-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1c[nH+]c(CNc2ccc(F)c(C)c2)n1C ZINC000341289441 178176346 /nfs/dbraw/zinc/17/63/46/178176346.db2.gz SPFVNVLVLZIVBW-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1cc(N[C@@H](C)Cc2ccsc2)nc[nH+]1 ZINC000049184297 178179108 /nfs/dbraw/zinc/17/91/08/178179108.db2.gz GZGGOWXTKVDRLM-JTQLQIEISA-N 1 2 233.340 2.890 20 0 BFADLO Cc1cc(N[C@@H]2CC23CCCC3)nc[nH+]1 ZINC000309141323 178180667 /nfs/dbraw/zinc/18/06/67/178180667.db2.gz HEUDSLGQKMBLEB-SNVBAGLBSA-N 1 2 203.289 2.530 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@@H](CC(C)C)C2)nc[nH+]1 ZINC000346206058 178182236 /nfs/dbraw/zinc/18/22/36/178182236.db2.gz IGTPUTYVZFFRNN-OLZOCXBDSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)nc[nH+]1 ZINC000361626643 178191514 /nfs/dbraw/zinc/19/15/14/178191514.db2.gz JTQLNXAEXIHHMT-NWDGAFQWSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000044677681 178191813 /nfs/dbraw/zinc/19/18/13/178191813.db2.gz BTNOZUDOLIAGSP-OLZOCXBDSA-N 1 2 225.295 2.753 20 0 BFADLO Cc1cc(Nc2ncc(F)cn2)ccc1[NH+](C)C ZINC000301768905 178193066 /nfs/dbraw/zinc/19/30/66/178193066.db2.gz IZKSFAQURNGMKB-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO CCOC1(C(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000622824169 343987023 /nfs/dbraw/zinc/98/70/23/343987023.db2.gz UFZGIWXCSRCQFM-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1ccc(Sc2[nH+]cc3ccccn32)nn1 ZINC000605432804 343987092 /nfs/dbraw/zinc/98/70/92/343987092.db2.gz TWWWTVDTGGNSGK-UHFFFAOYSA-N 1 2 242.307 2.584 20 0 BFADLO C[C@]1(F)CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000334184177 136223983 /nfs/dbraw/zinc/22/39/83/136223983.db2.gz FTOSPSRPVWYRNW-YPMHNXCESA-N 1 2 236.290 2.697 20 0 BFADLO C[C@]1(F)CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000334184177 136223984 /nfs/dbraw/zinc/22/39/84/136223984.db2.gz FTOSPSRPVWYRNW-YPMHNXCESA-N 1 2 236.290 2.697 20 0 BFADLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000334195636 136224004 /nfs/dbraw/zinc/22/40/04/136224004.db2.gz KQXKNVZBKPIBQZ-VIFPVBQESA-N 1 2 242.706 2.823 20 0 BFADLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)o1 ZINC000334195636 136224005 /nfs/dbraw/zinc/22/40/05/136224005.db2.gz KQXKNVZBKPIBQZ-VIFPVBQESA-N 1 2 242.706 2.823 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cccc(O)c2)no1 ZINC000282681114 178229825 /nfs/dbraw/zinc/22/98/25/178229825.db2.gz NLVRKWUAEYGWFR-SNVBAGLBSA-N 1 2 232.283 2.539 20 0 BFADLO FC1(F)CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000334290247 136225073 /nfs/dbraw/zinc/22/50/73/136225073.db2.gz BZECCNZAFCQUFJ-VXGBXAGGSA-N 1 2 223.266 2.884 20 0 BFADLO FC1(F)CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000334290247 136225074 /nfs/dbraw/zinc/22/50/74/136225074.db2.gz BZECCNZAFCQUFJ-VXGBXAGGSA-N 1 2 223.266 2.884 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccccn2)no1 ZINC000282673004 178233265 /nfs/dbraw/zinc/23/32/65/178233265.db2.gz JFGHUHRRKWIAQH-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO CCCOCCOc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000649434696 398236143 /nfs/dbraw/zinc/23/61/43/398236143.db2.gz WEXBTEMKJBUDJD-UHFFFAOYSA-N 1 2 246.310 2.882 20 0 BFADLO CCCC(C)(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000650076337 398233243 /nfs/dbraw/zinc/23/32/43/398233243.db2.gz QSRRTCBTDKPXSF-WDEREUQCSA-N 1 2 249.358 2.831 20 0 BFADLO Cc1cc([C@H](C)[NH2+]CC(F)(F)CO)c(C)s1 ZINC000184712435 178245319 /nfs/dbraw/zinc/24/53/19/178245319.db2.gz QJHGACLBRUYNMJ-QMMMGPOBSA-N 1 2 249.326 2.643 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cn[nH]c2C)cs1 ZINC000294269558 178250485 /nfs/dbraw/zinc/25/04/85/178250485.db2.gz RQVRGOJOHLSPHQ-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccccn2)no1 ZINC000282673008 178257352 /nfs/dbraw/zinc/25/73/52/178257352.db2.gz JFGHUHRRKWIAQH-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)no1 ZINC000340524860 178257379 /nfs/dbraw/zinc/25/73/79/178257379.db2.gz CHMUTAISDZYWFH-AEJSXWLSSA-N 1 2 212.268 2.524 20 0 BFADLO c1cc(-c2ccc(N3CCCC3)[nH+]c2)co1 ZINC000649437831 398239581 /nfs/dbraw/zinc/23/95/81/398239581.db2.gz GOTDEFSKUYBRLA-UHFFFAOYSA-N 1 2 214.268 2.942 20 0 BFADLO Cc1cc2c(cc1C)N(Cc1[nH+]ccn1C)CC2 ZINC000285414567 178284400 /nfs/dbraw/zinc/28/44/00/178284400.db2.gz JERCOBZYXXPGOF-UHFFFAOYSA-N 1 2 241.338 2.600 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCOC1 ZINC000131623341 178298402 /nfs/dbraw/zinc/29/84/02/178298402.db2.gz GUHSOXZFVNYBRM-LBPRGKRZSA-N 1 2 228.295 2.744 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)CCO ZINC000122970009 178298432 /nfs/dbraw/zinc/29/84/32/178298432.db2.gz XKHTXRQAYKRUHH-LLVKDONJSA-N 1 2 230.311 2.726 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)[C@H](C)CO ZINC000122165630 178298619 /nfs/dbraw/zinc/29/86/19/178298619.db2.gz UZXJUSSBUUBAHW-VXGBXAGGSA-N 1 2 244.338 2.972 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N(C)CC[C@@H](C)O ZINC000133209512 178298698 /nfs/dbraw/zinc/29/86/98/178298698.db2.gz IMDWYEZNDXQQJG-GFCCVEGCSA-N 1 2 244.338 2.750 20 0 BFADLO Cc1cc2[nH+]cn(CC(=O)C(C)C)c2cc1C ZINC000092998912 178304644 /nfs/dbraw/zinc/30/46/44/178304644.db2.gz ZXODAGLNIAEGLO-UHFFFAOYSA-N 1 2 230.311 2.878 20 0 BFADLO CCC[C@H](CNc1ccc[nH+]c1C)OC ZINC000386163074 398263564 /nfs/dbraw/zinc/26/35/64/398263564.db2.gz VEYIXSYXILISML-LLVKDONJSA-N 1 2 208.305 2.617 20 0 BFADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(F)F)C12CCC2 ZINC000177672810 538952170 /nfs/dbraw/zinc/95/21/70/538952170.db2.gz SYWMQSLRZFYKBW-VHSXEESVSA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(F)F)C12CCC2 ZINC000177672810 538952171 /nfs/dbraw/zinc/95/21/71/538952171.db2.gz SYWMQSLRZFYKBW-VHSXEESVSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000176189103 365686431 /nfs/dbraw/zinc/68/64/31/365686431.db2.gz SBRRPAPJIJGFBN-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1C)c1ccncc1 ZINC000180623168 538958368 /nfs/dbraw/zinc/95/83/68/538958368.db2.gz QIDFKQRQALOGHZ-IINYFYTJSA-N 1 2 244.342 2.915 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334666485 398272886 /nfs/dbraw/zinc/27/28/86/398272886.db2.gz SJACDNLDXPGRRX-YGRLFVJLSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc[nH+]1 ZINC000334838524 398273528 /nfs/dbraw/zinc/27/35/28/398273528.db2.gz INBXAKOXNOBBHH-GFCCVEGCSA-N 1 2 239.322 2.736 20 0 BFADLO COC(=O)C(C)(C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000600136162 342688870 /nfs/dbraw/zinc/68/88/70/342688870.db2.gz RFWVTJSPQWTJJH-GFCCVEGCSA-N 1 2 249.354 2.640 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000176197798 365687087 /nfs/dbraw/zinc/68/70/87/365687087.db2.gz DTUHSYHUTRHLST-RYUDHWBXSA-N 1 2 230.311 2.683 20 0 BFADLO Cc1cnc(NCc2c[nH+]c3ccccn23)s1 ZINC000185853292 538971278 /nfs/dbraw/zinc/97/12/78/538971278.db2.gz FEDNATOXQZWDKI-UHFFFAOYSA-N 1 2 244.323 2.711 20 0 BFADLO O[C@H]1C[C@@H](CNc2[nH+]ccc3ccc(F)cc32)C1 ZINC000624666710 342813908 /nfs/dbraw/zinc/81/39/08/342813908.db2.gz NOGQZKHJYOKKJH-WVSHTKLVSA-N 1 2 246.285 2.557 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccc(CO)cc2)n1C ZINC000630051451 361914526 /nfs/dbraw/zinc/91/45/26/361914526.db2.gz MSYUKMZKAACRRS-UHFFFAOYSA-N 1 2 230.311 2.703 20 0 BFADLO CCc1cc(N[C@H](C)CC(C)C)nc[nH+]1 ZINC000040765092 538973148 /nfs/dbraw/zinc/97/31/48/538973148.db2.gz GUSMQQCLJMQMOL-SNVBAGLBSA-N 1 2 207.321 2.886 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccc(O)cc2)n1C ZINC000630051585 361918064 /nfs/dbraw/zinc/91/80/64/361918064.db2.gz ATRBMWLIGXXTPU-UHFFFAOYSA-N 1 2 216.284 2.916 20 0 BFADLO Cc1cc(N2CCCC3(CC3)CC2)nc[nH+]1 ZINC000624720981 342821915 /nfs/dbraw/zinc/82/19/15/342821915.db2.gz WOZBOACQLAURLL-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000341752816 168398090 /nfs/dbraw/zinc/39/80/90/168398090.db2.gz ZEEDWBAXVFIAJL-LLVKDONJSA-N 1 2 234.343 2.823 20 0 BFADLO Cc1ncccc1C[NH2+]C(C)(C)C(F)F ZINC000380002608 538983571 /nfs/dbraw/zinc/98/35/71/538983571.db2.gz NTYQCIVPVBPBJD-UHFFFAOYSA-N 1 2 214.259 2.523 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccncc1 ZINC000381485100 539002273 /nfs/dbraw/zinc/00/22/73/539002273.db2.gz UXFKGHVWJUNIQH-ONGXEEELSA-N 1 2 226.270 2.920 20 0 BFADLO CC(C)[C@H]([NH2+][C@H](C)CCCCO)C(F)(F)F ZINC000381520606 539003234 /nfs/dbraw/zinc/00/32/34/539003234.db2.gz UNCOQOOJDLVILD-ZJUUUORDSA-N 1 2 241.297 2.714 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000193321625 539004839 /nfs/dbraw/zinc/00/48/39/539004839.db2.gz HEWJHHADDUFNJO-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000193321625 539004840 /nfs/dbraw/zinc/00/48/40/539004840.db2.gz HEWJHHADDUFNJO-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H](NC(=O)c1csc(C)c1)c1[nH]cc[nH+]1 ZINC000381210694 538996923 /nfs/dbraw/zinc/99/69/23/538996923.db2.gz OHOZCFXKGDSAKG-JTQLQIEISA-N 1 2 249.339 2.661 20 0 BFADLO COc1ccsc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000390475201 539022112 /nfs/dbraw/zinc/02/21/12/539022112.db2.gz KLINZNGZELDFHQ-MRVPVSSYSA-N 1 2 238.312 2.596 20 0 BFADLO Cc1cc(NC(C)(C)CC(F)(F)F)nc[nH+]1 ZINC000390562010 539026484 /nfs/dbraw/zinc/02/64/84/539026484.db2.gz SEKKUQGCMDRAOT-UHFFFAOYSA-N 1 2 233.237 2.928 20 0 BFADLO COc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000390653418 539026859 /nfs/dbraw/zinc/02/68/59/539026859.db2.gz PXKVFFPXQFRSQL-UHFFFAOYSA-N 1 2 229.270 2.829 20 0 BFADLO c1cc2cc(NCc3ccsc3)[nH+]cc2[nH]1 ZINC000390115645 539019743 /nfs/dbraw/zinc/01/97/43/539019743.db2.gz CFOCPGJULMAOTO-UHFFFAOYSA-N 1 2 229.308 2.658 20 0 BFADLO CC(C)(C)CCNc1cc2cc[nH]c2c[nH+]1 ZINC000390079951 539019786 /nfs/dbraw/zinc/01/97/86/539019786.db2.gz AVBCOJIVGRUEAU-UHFFFAOYSA-N 1 2 217.316 2.833 20 0 BFADLO CCCC[N@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625053941 342845977 /nfs/dbraw/zinc/84/59/77/342845977.db2.gz RKWOYLDGIXXVGW-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CCCC[N@@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625053941 342845979 /nfs/dbraw/zinc/84/59/79/342845979.db2.gz RKWOYLDGIXXVGW-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CC(C)[N@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625082554 342849018 /nfs/dbraw/zinc/84/90/18/342849018.db2.gz BIOWTECJDLBZAM-UHFFFAOYSA-N 1 2 235.331 2.710 20 0 BFADLO CC(C)[N@@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625082554 342849019 /nfs/dbraw/zinc/84/90/19/342849019.db2.gz BIOWTECJDLBZAM-UHFFFAOYSA-N 1 2 235.331 2.710 20 0 BFADLO CCC[C@H](C)CCCN1CC[NH+](C2CC2)CC1 ZINC000625109388 342861049 /nfs/dbraw/zinc/86/10/49/342861049.db2.gz YKAODWSQPPZLIL-AWEZNQCLSA-N 1 2 238.419 2.983 20 0 BFADLO CCCCc1cc(N[C@H]2CCSC2)nc[nH+]1 ZINC000631133887 342861574 /nfs/dbraw/zinc/86/15/74/342861574.db2.gz LULYSPYKBFILHA-NSHDSACASA-N 1 2 237.372 2.737 20 0 BFADLO CCC[N@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625109805 342861606 /nfs/dbraw/zinc/86/16/06/342861606.db2.gz UIQRVFLZIQJREV-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CCC[N@@H+](CC)Cc1noc(C2CCC2)n1 ZINC000625109805 342861607 /nfs/dbraw/zinc/86/16/07/342861607.db2.gz UIQRVFLZIQJREV-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625158455 342896794 /nfs/dbraw/zinc/89/67/94/342896794.db2.gz BOJZMEMPBKKYFC-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625158455 342896796 /nfs/dbraw/zinc/89/67/96/342896796.db2.gz BOJZMEMPBKKYFC-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccco2)cs1 ZINC000035137078 342883814 /nfs/dbraw/zinc/88/38/14/342883814.db2.gz VJZXTFATAIXIRO-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO c1[nH+]c(SC2CCOCC2)n2ccccc12 ZINC000181310859 398314580 /nfs/dbraw/zinc/31/45/80/398314580.db2.gz MFTOAISUIHNWOD-UHFFFAOYSA-N 1 2 234.324 2.605 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)[C@H](C)CO1 ZINC000045785464 342923275 /nfs/dbraw/zinc/92/32/75/342923275.db2.gz PCWFNPDPVCFVDE-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)[C@H](C)CO1 ZINC000045785464 342923276 /nfs/dbraw/zinc/92/32/76/342923276.db2.gz PCWFNPDPVCFVDE-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO CC(C)[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221366 342918395 /nfs/dbraw/zinc/91/83/95/342918395.db2.gz CPFHISSHYVXXJR-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC(C)[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625221366 342918397 /nfs/dbraw/zinc/91/83/97/342918397.db2.gz CPFHISSHYVXXJR-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC[C@]1(C)CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625220486 342919368 /nfs/dbraw/zinc/91/93/68/342919368.db2.gz BFQKAFIZMINDJW-CQSZACIVSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@]1(C)CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625220486 342919369 /nfs/dbraw/zinc/91/93/69/342919369.db2.gz BFQKAFIZMINDJW-CQSZACIVSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1C[C@H]1C[N@H+](CCCO)c1ccccc1 ZINC000625224675 342921218 /nfs/dbraw/zinc/92/12/18/342921218.db2.gz MVWNRRPLUPTLTP-STQMWFEESA-N 1 2 219.328 2.531 20 0 BFADLO C[C@H]1C[C@H]1C[N@@H+](CCCO)c1ccccc1 ZINC000625224675 342921220 /nfs/dbraw/zinc/92/12/20/342921220.db2.gz MVWNRRPLUPTLTP-STQMWFEESA-N 1 2 219.328 2.531 20 0 BFADLO CC[C@H](NC(=O)/C=C/C(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590360 529456060 /nfs/dbraw/zinc/45/60/60/529456060.db2.gz DTPLGJNIUNVLSL-FGEFZZPRSA-N 1 2 235.331 2.579 20 0 BFADLO CC[C@H](NC(=O)C=CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000492590360 529456063 /nfs/dbraw/zinc/45/60/63/529456063.db2.gz DTPLGJNIUNVLSL-FGEFZZPRSA-N 1 2 235.331 2.579 20 0 BFADLO CC[C@H](NC(=O)/C=C\C1CCCC1)c1[nH]cc[nH+]1 ZINC000493352890 529457390 /nfs/dbraw/zinc/45/73/90/529457390.db2.gz NLRIHVLXTKAECP-KRZKBDHCSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@H](NC(=O)C=CC1CCCC1)c1[nH]cc[nH+]1 ZINC000493352890 529457391 /nfs/dbraw/zinc/45/73/91/529457391.db2.gz NLRIHVLXTKAECP-KRZKBDHCSA-N 1 2 247.342 2.723 20 0 BFADLO Cc1ccc(NC(=O)C2(CCF)CC2)c(C)[nH+]1 ZINC000355199928 398331834 /nfs/dbraw/zinc/33/18/34/398331834.db2.gz SGOVAQNFVDSYMH-UHFFFAOYSA-N 1 2 236.290 2.777 20 0 BFADLO OC1(CNc2cc3ccccc3c[nH+]2)CCC1 ZINC000631109396 342939060 /nfs/dbraw/zinc/93/90/60/342939060.db2.gz AANLRMCTNCUZQO-UHFFFAOYSA-N 1 2 228.295 2.562 20 0 BFADLO CC1(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000576805036 365689954 /nfs/dbraw/zinc/68/99/54/365689954.db2.gz OEDORNIXNVASMC-CQSZACIVSA-N 1 2 249.329 2.999 20 0 BFADLO CC1(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000576805036 365689959 /nfs/dbraw/zinc/68/99/59/365689959.db2.gz OEDORNIXNVASMC-CQSZACIVSA-N 1 2 249.329 2.999 20 0 BFADLO Cn1cc(Cl)cc1C[N@H+](C)C/C=C/Cl ZINC000131346345 398340651 /nfs/dbraw/zinc/34/06/51/398340651.db2.gz PFXJQRHQDHPFPH-ONEGZZNKSA-N 1 2 233.142 2.863 20 0 BFADLO Cn1cc(Cl)cc1C[N@@H+](C)C/C=C/Cl ZINC000131346345 398340652 /nfs/dbraw/zinc/34/06/52/398340652.db2.gz PFXJQRHQDHPFPH-ONEGZZNKSA-N 1 2 233.142 2.863 20 0 BFADLO CC[N@H+](Cc1csc([C@H](C)OC)n1)C1CC1 ZINC000175079317 346892048 /nfs/dbraw/zinc/89/20/48/346892048.db2.gz RHPRFMGBCBMSNQ-VIFPVBQESA-N 1 2 240.372 2.835 20 0 BFADLO CC[N@@H+](Cc1csc([C@H](C)OC)n1)C1CC1 ZINC000175079317 346892050 /nfs/dbraw/zinc/89/20/50/346892050.db2.gz RHPRFMGBCBMSNQ-VIFPVBQESA-N 1 2 240.372 2.835 20 0 BFADLO COC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000019885496 342961605 /nfs/dbraw/zinc/96/16/05/342961605.db2.gz DSTZGEPSMXZZFH-ZDUSSCGKSA-N 1 2 235.327 2.536 20 0 BFADLO CC[C@@H](NC(=O)/C=C\C1CCCC1)c1[nH]cc[nH+]1 ZINC000493352892 529572401 /nfs/dbraw/zinc/57/24/01/529572401.db2.gz NLRIHVLXTKAECP-QDZRJHCZSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)C=CC1CCCC1)c1[nH]cc[nH+]1 ZINC000493352892 529572404 /nfs/dbraw/zinc/57/24/04/529572404.db2.gz NLRIHVLXTKAECP-QDZRJHCZSA-N 1 2 247.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C1CCCC1 ZINC000493123976 529572975 /nfs/dbraw/zinc/57/29/75/529572975.db2.gz VVQAJKAABVHQAQ-QDZRJHCZSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000493371146 529573104 /nfs/dbraw/zinc/57/31/04/529573104.db2.gz QJFBNWJUBWEJTP-MEJMFZKBSA-N 1 2 247.342 2.508 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335903560 136259978 /nfs/dbraw/zinc/25/99/78/136259978.db2.gz BIAMBJQRDLBGOV-SNVBAGLBSA-N 1 2 249.358 2.765 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335903560 136259979 /nfs/dbraw/zinc/25/99/79/136259979.db2.gz BIAMBJQRDLBGOV-SNVBAGLBSA-N 1 2 249.358 2.765 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC000493272519 529593434 /nfs/dbraw/zinc/59/34/34/529593434.db2.gz VHRSJALDNRMZCI-TVRMLOFPSA-N 1 2 249.358 2.683 20 0 BFADLO CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000335906824 136260832 /nfs/dbraw/zinc/26/08/32/136260832.db2.gz PGLXCEVAMAXVNA-UHFFFAOYSA-N 1 2 249.701 2.874 20 0 BFADLO CCCCc1c(C)nn(-c2[nH+]ccn2C)c1C ZINC000634630273 343038880 /nfs/dbraw/zinc/03/88/80/343038880.db2.gz RCLMTPQWALUNOL-UHFFFAOYSA-N 1 2 232.331 2.565 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CCCSC1 ZINC000384182247 343060566 /nfs/dbraw/zinc/06/05/66/343060566.db2.gz XCPDRCHCAHUTPV-JTQLQIEISA-N 1 2 238.356 2.645 20 0 BFADLO COc1ccccc1CCN(C)c1cccc[nH+]1 ZINC000301193209 136265056 /nfs/dbraw/zinc/26/50/56/136265056.db2.gz MPNRLGQGVWUONX-UHFFFAOYSA-N 1 2 242.322 2.769 20 0 BFADLO COc1ccc(CNc2c[nH]c[nH+]2)cc1Cl ZINC000309893946 343087812 /nfs/dbraw/zinc/08/78/12/343087812.db2.gz DZXJNKGWFJYSDY-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO CCCC[N@@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000189284187 136270821 /nfs/dbraw/zinc/27/08/21/136270821.db2.gz HOKJUXHEXFKIPX-LLVKDONJSA-N 1 2 240.372 2.625 20 0 BFADLO CCCC[N@H+]1CCOC[C@@H]1c1nc(C)cs1 ZINC000189284187 136270822 /nfs/dbraw/zinc/27/08/22/136270822.db2.gz HOKJUXHEXFKIPX-LLVKDONJSA-N 1 2 240.372 2.625 20 0 BFADLO C[C@H](CC(=O)N[C@H]1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000576880324 365712718 /nfs/dbraw/zinc/71/27/18/365712718.db2.gz ULHWQGSSDJVTJD-UPJWGTAASA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C(C)C)cc(C)[nH+]1 ZINC000421575288 192355008 /nfs/dbraw/zinc/35/50/08/192355008.db2.gz JQTFHLYMUQXPBC-ZIAGYGMSSA-N 1 2 246.354 2.607 20 0 BFADLO CC[C@H](C)C[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000394451654 259354224 /nfs/dbraw/zinc/35/42/24/259354224.db2.gz GVYSJOBHHXWHMP-GXTWGEPZSA-N 1 2 249.354 2.754 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCc3occc32)no1 ZINC000124015085 343166279 /nfs/dbraw/zinc/16/62/79/343166279.db2.gz YIPVKKSEQGBBNG-LBPRGKRZSA-N 1 2 232.283 2.743 20 0 BFADLO FC(F)C[NH2+]Cc1ccnc2ccccc12 ZINC000147350919 343197928 /nfs/dbraw/zinc/19/79/28/343197928.db2.gz BBTQVVIBKOURLJ-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000625275539 343215194 /nfs/dbraw/zinc/21/51/94/343215194.db2.gz JAJWMTKATYELEG-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000625275539 343215195 /nfs/dbraw/zinc/21/51/95/343215195.db2.gz JAJWMTKATYELEG-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CCC2)n1)[NH+]1CCC2(CC2)CC1 ZINC000625277382 343217143 /nfs/dbraw/zinc/21/71/43/343217143.db2.gz VAQPNKPXBWXQPQ-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C[C@@H]1C ZINC000625281150 343219438 /nfs/dbraw/zinc/21/94/38/343219438.db2.gz SDYIBJCHGVAFRZ-MNOVXSKESA-N 1 2 249.358 2.815 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C[C@@H]1C ZINC000625281150 343219439 /nfs/dbraw/zinc/21/94/39/343219439.db2.gz SDYIBJCHGVAFRZ-MNOVXSKESA-N 1 2 249.358 2.815 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc1F ZINC000625332450 343237302 /nfs/dbraw/zinc/23/73/02/343237302.db2.gz GMECHPNJNGDTDK-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(C[N@H+]2CCC(=O)[C@H](C)C2)cc1F ZINC000625332450 343237303 /nfs/dbraw/zinc/23/73/03/343237303.db2.gz GMECHPNJNGDTDK-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1[nH+]cccc1Cn1cc(/C=C\C(C)C)nn1 ZINC000641050517 362158953 /nfs/dbraw/zinc/15/89/53/362158953.db2.gz CFXZXGVTYKWVTJ-SREVYHEPSA-N 1 2 242.326 2.699 20 0 BFADLO CCC[C@@H](C)CC(=O)N[C@H](CC)c1[nH]cc[nH+]1 ZINC000347959657 136293140 /nfs/dbraw/zinc/29/31/40/136293140.db2.gz NBAWMIWIJXBAPD-GHMZBOCLSA-N 1 2 237.347 2.803 20 0 BFADLO CCC[C@@H](C)CC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000347959660 136293194 /nfs/dbraw/zinc/29/31/94/136293194.db2.gz NBAWMIWIJXBAPD-MNOVXSKESA-N 1 2 237.347 2.803 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335607608 136298708 /nfs/dbraw/zinc/29/87/08/136298708.db2.gz ATLMUEUMXSDEGD-JGVFFNPUSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000335607608 136298709 /nfs/dbraw/zinc/29/87/09/136298709.db2.gz ATLMUEUMXSDEGD-JGVFFNPUSA-N 1 2 245.273 2.628 20 0 BFADLO CCC[C@H]([NH2+]Cc1cccs1)C(=O)OCC ZINC000037967121 343362300 /nfs/dbraw/zinc/36/23/00/343362300.db2.gz MWNVHXPWBRUSOR-NSHDSACASA-N 1 2 241.356 2.570 20 0 BFADLO Clc1ccc(C[NH2+]Cc2ccco2)nc1 ZINC000070624943 343335990 /nfs/dbraw/zinc/33/59/90/343335990.db2.gz WEVIGFYOXCRWBF-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO Cc1nc(C[NH2+]Cc2scnc2C)cs1 ZINC000070836645 343338844 /nfs/dbraw/zinc/33/88/44/343338844.db2.gz NELRHXAJMMLCMF-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO CC1CC(Nc2ccc(Cn3cc[nH+]c3)cn2)C1 ZINC000348833246 136303497 /nfs/dbraw/zinc/30/34/97/136303497.db2.gz LTMZCXJJOISQMA-UHFFFAOYSA-N 1 2 242.326 2.537 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000041014101 343412403 /nfs/dbraw/zinc/41/24/03/343412403.db2.gz NEBZDBBBKJSJNE-ZDUSSCGKSA-N 1 2 215.300 2.651 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000041391967 343419915 /nfs/dbraw/zinc/41/99/15/343419915.db2.gz RMRHIKOJBWZZFR-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000041391967 343419917 /nfs/dbraw/zinc/41/99/17/343419917.db2.gz RMRHIKOJBWZZFR-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc(NC(=O)C2CC(F)(F)C2)c(C)[nH+]1 ZINC000335737560 136351185 /nfs/dbraw/zinc/35/11/85/136351185.db2.gz SADOFMGHTDFCET-UHFFFAOYSA-N 1 2 240.253 2.682 20 0 BFADLO FCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000335845399 136354858 /nfs/dbraw/zinc/35/48/58/136354858.db2.gz SXKZCRGZYINZRN-UHFFFAOYSA-N 1 2 232.302 2.817 20 0 BFADLO FCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000335845399 136354859 /nfs/dbraw/zinc/35/48/59/136354859.db2.gz SXKZCRGZYINZRN-UHFFFAOYSA-N 1 2 232.302 2.817 20 0 BFADLO CC[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335897836 136359740 /nfs/dbraw/zinc/35/97/40/136359740.db2.gz SMOREWLMVHOLOB-VIFPVBQESA-N 1 2 235.331 2.927 20 0 BFADLO Cc1ccc(Cn2cc(C(C)(C)C)nn2)c(C)[nH+]1 ZINC000641096758 362222939 /nfs/dbraw/zinc/22/29/39/362222939.db2.gz RCHAPGAOBNHREX-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000049368616 343596825 /nfs/dbraw/zinc/59/68/25/343596825.db2.gz GXAYCCVCPWZIBX-VXGBXAGGSA-N 1 2 235.327 2.597 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000049370660 343596945 /nfs/dbraw/zinc/59/69/45/343596945.db2.gz YPDKZNQVXXXEFH-RISCZKNCSA-N 1 2 247.338 2.679 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2cccnc2)cs1 ZINC000049591180 343603801 /nfs/dbraw/zinc/60/38/01/343603801.db2.gz HFJMWNXIGKBQFQ-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047960151 343675648 /nfs/dbraw/zinc/67/56/48/343675648.db2.gz AEMUDOKEMMFLAY-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047960151 343675650 /nfs/dbraw/zinc/67/56/50/343675650.db2.gz AEMUDOKEMMFLAY-LBPRGKRZSA-N 1 2 235.327 2.551 20 0 BFADLO CCC[N@H+](CCc1ccncc1C)CC(F)F ZINC000563042481 346953114 /nfs/dbraw/zinc/95/31/14/346953114.db2.gz KTFMJQHQIVMNMN-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO CCC[N@@H+](CCc1ccncc1C)CC(F)F ZINC000563042481 346953117 /nfs/dbraw/zinc/95/31/17/346953117.db2.gz KTFMJQHQIVMNMN-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]CCSC(C)C ZINC000380272407 343716696 /nfs/dbraw/zinc/71/66/96/343716696.db2.gz WTBODVDVGSRFNY-SECBINFHSA-N 1 2 227.377 2.510 20 0 BFADLO Cc1cccc2c1C[C@@H](Nc1cccc[nH+]1)CO2 ZINC000624472953 343895710 /nfs/dbraw/zinc/89/57/10/343895710.db2.gz WKWVRBSRTOWWAX-GFCCVEGCSA-N 1 2 240.306 2.806 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CCC(F)(F)C1 ZINC000393786134 343928678 /nfs/dbraw/zinc/92/86/78/343928678.db2.gz YAPNJHITHGXNHS-QMMMGPOBSA-N 1 2 228.242 2.690 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)[nH]c1C ZINC000628117510 343966520 /nfs/dbraw/zinc/96/65/20/343966520.db2.gz LTGYPIIYPULDAH-ZDUSSCGKSA-N 1 2 244.342 2.692 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)[nH]c1C ZINC000628117510 343966521 /nfs/dbraw/zinc/96/65/21/343966521.db2.gz LTGYPIIYPULDAH-ZDUSSCGKSA-N 1 2 244.342 2.692 20 0 BFADLO Cc1[nH]c(CN2CCC[C@H]2c2ccc[nH]2)[nH+]c1C ZINC000628117510 343966522 /nfs/dbraw/zinc/96/65/22/343966522.db2.gz LTGYPIIYPULDAH-ZDUSSCGKSA-N 1 2 244.342 2.692 20 0 BFADLO C[C@H](CCc1ccco1)Nc1cc(CO)cc[nH+]1 ZINC000641262947 362337679 /nfs/dbraw/zinc/33/76/79/362337679.db2.gz GJHJDYUPMODFTB-LLVKDONJSA-N 1 2 246.310 2.600 20 0 BFADLO C[C@@H](CCc1ccco1)Nc1cc(CO)cc[nH+]1 ZINC000641262948 362337690 /nfs/dbraw/zinc/33/76/90/362337690.db2.gz GJHJDYUPMODFTB-NSHDSACASA-N 1 2 246.310 2.600 20 0 BFADLO COc1nc(C)cc(C)c1CNc1cccc[nH+]1 ZINC000066819041 344109755 /nfs/dbraw/zinc/10/97/55/344109755.db2.gz FOTURIQMJXAFQV-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO c1nc(C[NH+](C2CC2)C2CC2)oc1C1CC1 ZINC000625841330 344094864 /nfs/dbraw/zinc/09/48/64/344094864.db2.gz HLNOPEZGPLTBET-UHFFFAOYSA-N 1 2 218.300 2.679 20 0 BFADLO Clc1cnc(C[NH+](C2CC2)C2CC2)s1 ZINC000625841311 344094972 /nfs/dbraw/zinc/09/49/72/344094972.db2.gz HCGJEFXZDNCBFI-UHFFFAOYSA-N 1 2 228.748 2.923 20 0 BFADLO C(c1nc(C2CCCC2)no1)[NH+](C1CC1)C1CC1 ZINC000625841365 344095082 /nfs/dbraw/zinc/09/50/82/344095082.db2.gz HQPIXYZOYLVXRX-UHFFFAOYSA-N 1 2 247.342 2.854 20 0 BFADLO Cc1cc(NC(=O)CCC(F)(F)F)cc[nH+]1 ZINC000080221035 344125765 /nfs/dbraw/zinc/12/57/65/344125765.db2.gz YUUNVQVGAGHVIZ-UHFFFAOYSA-N 1 2 232.205 2.671 20 0 BFADLO CCC[C@@H](CC)Nc1cc(CO)cc[nH+]1 ZINC000641315080 362359421 /nfs/dbraw/zinc/35/94/21/362359421.db2.gz CNEFFUNMINKMBL-LLVKDONJSA-N 1 2 208.305 2.565 20 0 BFADLO CC(C)CCn1cccc1C[NH2+]CC(F)F ZINC000309307666 347030202 /nfs/dbraw/zinc/03/02/02/347030202.db2.gz BCVUFKJWDCAIRR-UHFFFAOYSA-N 1 2 230.302 2.889 20 0 BFADLO COCCCCCNc1cc[nH+]c2ccncc12 ZINC000085659631 344207755 /nfs/dbraw/zinc/20/77/55/344207755.db2.gz WHBCYDYQLAPWPA-UHFFFAOYSA-N 1 2 245.326 2.858 20 0 BFADLO Cc1cc(N[C@H]2CCCC23CC3)nc[nH+]1 ZINC000631417929 344193969 /nfs/dbraw/zinc/19/39/69/344193969.db2.gz DOCRPFCAHRVCKO-JTQLQIEISA-N 1 2 203.289 2.530 20 0 BFADLO CC1(C)COCC[N@@H+]1Cc1ccc(F)cc1F ZINC000084861196 344198524 /nfs/dbraw/zinc/19/85/24/344198524.db2.gz BGSKEYASHAHNLW-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)COCC[N@H+]1Cc1ccc(F)cc1F ZINC000084861196 344198527 /nfs/dbraw/zinc/19/85/27/344198527.db2.gz BGSKEYASHAHNLW-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)[C@H](C)c2cccs2)n1 ZINC000628137192 344260465 /nfs/dbraw/zinc/26/04/65/344260465.db2.gz AGKIFUCKJBBQNT-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)[C@H](C)c2cccs2)n1 ZINC000628137192 344260468 /nfs/dbraw/zinc/26/04/68/344260468.db2.gz AGKIFUCKJBBQNT-SNVBAGLBSA-N 1 2 235.356 2.973 20 0 BFADLO CC1(CNc2cc(CO)cc[nH+]2)CCCC1 ZINC000641364774 362377227 /nfs/dbraw/zinc/37/72/27/362377227.db2.gz KCSOUMWYBOWCRV-UHFFFAOYSA-N 1 2 220.316 2.566 20 0 BFADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ncc[nH]1 ZINC000600625918 344343325 /nfs/dbraw/zinc/34/33/25/344343325.db2.gz XWBMFEDLTOSLEY-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ncc[nH]1 ZINC000600625918 344343326 /nfs/dbraw/zinc/34/33/26/344343326.db2.gz XWBMFEDLTOSLEY-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO COc1cccc([C@@H](C)[N@H+](C)Cc2ncc[nH]2)c1 ZINC000600630139 344345588 /nfs/dbraw/zinc/34/55/88/344345588.db2.gz KVGPYZIXBASBDP-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO COc1cccc([C@@H](C)[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000600630139 344345589 /nfs/dbraw/zinc/34/55/89/344345589.db2.gz KVGPYZIXBASBDP-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO Cc1cnc([C@H](C)[NH+]2CC3(C2)CC(F)(F)C3)o1 ZINC000678465273 488257916 /nfs/dbraw/zinc/25/79/16/488257916.db2.gz YOIIFTJTHSOMES-VIFPVBQESA-N 1 2 242.269 2.775 20 0 BFADLO CN(CCc1cccs1)c1cc[nH+]cc1F ZINC000641403364 362396404 /nfs/dbraw/zinc/39/64/04/362396404.db2.gz BSLWLHJSWLDBFA-UHFFFAOYSA-N 1 2 236.315 2.961 20 0 BFADLO Cc1cnc([C@@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000641420258 362406914 /nfs/dbraw/zinc/40/69/14/362406914.db2.gz SJWLUBRDEWKYGQ-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO CCCc1nc(C[N@H+](C)CCSC)cs1 ZINC000152511054 344590300 /nfs/dbraw/zinc/59/03/00/344590300.db2.gz UGFPNASABXTOEG-UHFFFAOYSA-N 1 2 244.429 2.890 20 0 BFADLO CCCc1nc(C[N@@H+](C)CCSC)cs1 ZINC000152511054 344590302 /nfs/dbraw/zinc/59/03/02/344590302.db2.gz UGFPNASABXTOEG-UHFFFAOYSA-N 1 2 244.429 2.890 20 0 BFADLO OCc1cc[nH+]c(NCC2(C3CC3)CCC2)c1 ZINC000641455749 362429551 /nfs/dbraw/zinc/42/95/51/362429551.db2.gz FGYNMMRJZOULAU-UHFFFAOYSA-N 1 2 232.327 2.566 20 0 BFADLO COCc1ccccc1CNc1cccc[nH+]1 ZINC000037763114 344582507 /nfs/dbraw/zinc/58/25/07/344582507.db2.gz WJUDQQMFSFNMLS-UHFFFAOYSA-N 1 2 228.295 2.840 20 0 BFADLO C[C@@H](N(C)c1cc[nH+]cc1F)C1(C)CC1 ZINC000641425622 362407864 /nfs/dbraw/zinc/40/78/64/362407864.db2.gz KZQSDDPMJRQJAZ-SECBINFHSA-N 1 2 208.280 2.846 20 0 BFADLO Cc1cnc([C@H](C)Nc2cc[nH+]cc2F)s1 ZINC000641419908 362408228 /nfs/dbraw/zinc/40/82/28/362408228.db2.gz OUGRPEUNIBFPOW-QMMMGPOBSA-N 1 2 237.303 2.581 20 0 BFADLO CC[C@@]1(C)CCN(c2cc[nH+]cc2F)C1 ZINC000641431749 362413824 /nfs/dbraw/zinc/41/38/24/362413824.db2.gz JQZQNWIOOQVRBN-LBPRGKRZSA-N 1 2 208.280 2.847 20 0 BFADLO CC[C@]1(C)CCN(c2cc[nH+]cc2F)C1 ZINC000641431747 362413988 /nfs/dbraw/zinc/41/39/88/362413988.db2.gz JQZQNWIOOQVRBN-GFCCVEGCSA-N 1 2 208.280 2.847 20 0 BFADLO C[C@@H]1CN(c2cc(CO)cc[nH+]2)[C@@H]2CCCC[C@@H]21 ZINC000641485649 362456400 /nfs/dbraw/zinc/45/64/00/362456400.db2.gz JIZTWTRTFJCFJL-MRVWCRGKSA-N 1 2 246.354 2.589 20 0 BFADLO CC[C@@H](Nc1cc(C2CC2)ncn1)c1[nH]cc[nH+]1 ZINC000641518175 362472304 /nfs/dbraw/zinc/47/23/04/362472304.db2.gz UUWFKQZTFBFBTM-SNVBAGLBSA-N 1 2 243.314 2.640 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc[nH+]cc1F ZINC000641546002 362493279 /nfs/dbraw/zinc/49/32/79/362493279.db2.gz SEZKKTATAXLRKJ-YUMQZZPRSA-N 1 2 248.223 2.998 20 0 BFADLO CCSCC[C@H](C)Nc1cc[nH+]cc1F ZINC000603299494 349915155 /nfs/dbraw/zinc/91/51/55/349915155.db2.gz IJOSHTWDYFUBIG-VIFPVBQESA-N 1 2 228.336 2.586 20 0 BFADLO CCC1(NC(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000119829806 168490456 /nfs/dbraw/zinc/49/04/56/168490456.db2.gz UBBLTQFLOMVAJJ-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccccn1)C2 ZINC000626021895 344677868 /nfs/dbraw/zinc/67/78/68/344677868.db2.gz VBEOIEIULZGLEU-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccccn1)C2 ZINC000626021895 344677871 /nfs/dbraw/zinc/67/78/71/344677871.db2.gz VBEOIEIULZGLEU-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO CC(C)OCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000181571021 347064324 /nfs/dbraw/zinc/06/43/24/347064324.db2.gz DLBRFJGPJCZHDQ-UHFFFAOYSA-N 1 2 249.358 2.971 20 0 BFADLO CCCCOCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000116260364 344728343 /nfs/dbraw/zinc/72/83/43/344728343.db2.gz FUVJZLRVHFCNRF-UHFFFAOYSA-N 1 2 249.358 2.891 20 0 BFADLO CCCC[C@H](CC)CC(=O)NCc1[nH]cc[nH+]1 ZINC000117258121 344743075 /nfs/dbraw/zinc/74/30/75/344743075.db2.gz OOUJIVKXAYMOEX-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO Cc1cc([C@@H]2CCCN2c2cccc[nH+]2)no1 ZINC000076648352 344804744 /nfs/dbraw/zinc/80/47/44/344804744.db2.gz MDZFJMZRHLEFMW-LBPRGKRZSA-N 1 2 229.283 2.720 20 0 BFADLO CO[C@](C)(CNc1c[nH+]cc(C)c1)C1CC1 ZINC000653469264 537862434 /nfs/dbraw/zinc/86/24/34/537862434.db2.gz TZCGFFBJIYIDLU-CYBMUJFWSA-N 1 2 220.316 2.617 20 0 BFADLO CC(C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000348835294 534972701 /nfs/dbraw/zinc/97/27/01/534972701.db2.gz SXRLMYAZRRJSCN-LBPRGKRZSA-N 1 2 244.342 2.783 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1nccs1 ZINC000528775467 262973970 /nfs/dbraw/zinc/97/39/70/262973970.db2.gz YKJZTWILRATONQ-MRVPVSSYSA-N 1 2 232.299 2.763 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1nccs1 ZINC000528775467 262973972 /nfs/dbraw/zinc/97/39/72/262973972.db2.gz YKJZTWILRATONQ-MRVPVSSYSA-N 1 2 232.299 2.763 20 0 BFADLO CC[C@@H]([NH2+]Cc1cncc(OC)c1C)C(F)F ZINC000631146167 344887790 /nfs/dbraw/zinc/88/77/90/344887790.db2.gz FFXPYJQXMNBSMG-SNVBAGLBSA-N 1 2 244.285 2.532 20 0 BFADLO CC[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000579013997 344931143 /nfs/dbraw/zinc/93/11/43/344931143.db2.gz LNCCEWLRAYSNKG-STQMWFEESA-N 1 2 249.358 2.625 20 0 BFADLO CCCCc1cc(N[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000631094036 344934776 /nfs/dbraw/zinc/93/47/76/344934776.db2.gz RHLQZPNQHNIELD-OLZOCXBDSA-N 1 2 249.358 2.535 20 0 BFADLO Cc1c[nH]c(CN2CC[C@H]2c2cccc(F)c2)[nH+]1 ZINC000628185689 344935632 /nfs/dbraw/zinc/93/56/32/344935632.db2.gz HYVUGUTXQLRMJG-ZDUSSCGKSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cccnc2)c[nH+]1 ZINC000154260050 345022530 /nfs/dbraw/zinc/02/25/30/345022530.db2.gz QIORUYHETIEINK-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO Fc1c[nH+]ccc1N1CCC2(CCC2)CC1 ZINC000641594609 362535950 /nfs/dbraw/zinc/53/59/50/362535950.db2.gz MVGFMJURLRLQEO-UHFFFAOYSA-N 1 2 220.291 2.991 20 0 BFADLO COCC(C)(C)CCCNc1cc[nH+]cc1F ZINC000641598226 362537957 /nfs/dbraw/zinc/53/79/57/362537957.db2.gz CJQHNENUQORWIG-UHFFFAOYSA-N 1 2 240.322 2.507 20 0 BFADLO CCOC1(C)CCN(c2cc[nH+]cc2F)CC1 ZINC000641606817 362543104 /nfs/dbraw/zinc/54/31/04/362543104.db2.gz QVUVBMUDRUHDTC-UHFFFAOYSA-N 1 2 238.306 2.616 20 0 BFADLO Fc1c[nH+]ccc1N1CCC2(CC2(F)F)CC1 ZINC000641649311 362575882 /nfs/dbraw/zinc/57/58/82/362575882.db2.gz DCCQKLQKJKLAFW-UHFFFAOYSA-N 1 2 242.244 2.846 20 0 BFADLO C[C@H]1CC(C)(C)CN1c1cc[nH+]cc1F ZINC000641633586 362561907 /nfs/dbraw/zinc/56/19/07/362561907.db2.gz GGCZNTXTXCYHNU-VIFPVBQESA-N 1 2 208.280 2.846 20 0 BFADLO C[C@H](CNc1cc[nH+]cc1F)CC(F)(F)F ZINC000641634189 362564001 /nfs/dbraw/zinc/56/40/01/362564001.db2.gz KJTXWNMFKZWKOZ-ZETCQYMHSA-N 1 2 236.212 2.643 20 0 BFADLO CC[C@@H](O)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000127250678 345167761 /nfs/dbraw/zinc/16/77/61/345167761.db2.gz OWKSWXDPKVZZQL-SECBINFHSA-N 1 2 248.248 2.673 20 0 BFADLO COC[C@@H]([NH2+]Cc1occc1C)c1ccco1 ZINC000080240053 345125377 /nfs/dbraw/zinc/12/53/77/345125377.db2.gz VKMGIMKUPHXVDR-LLVKDONJSA-N 1 2 235.283 2.658 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C2CCC2)nc(C2CC2)[nH+]1 ZINC000425278582 192086730 /nfs/dbraw/zinc/08/67/30/192086730.db2.gz ZAFOKTQUFVLQIL-QWHCGFSZSA-N 1 2 243.354 2.685 20 0 BFADLO CC(C)C[C@H](C(=O)NC1CCCC1)n1cc[nH+]c1 ZINC000635072502 345238485 /nfs/dbraw/zinc/23/84/85/345238485.db2.gz VTPVEMNCHZCUNU-CYBMUJFWSA-N 1 2 249.358 2.529 20 0 BFADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000132103802 345316868 /nfs/dbraw/zinc/31/68/68/345316868.db2.gz YWBXJHKBZXOXIG-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000132103802 345316871 /nfs/dbraw/zinc/31/68/71/345316871.db2.gz YWBXJHKBZXOXIG-LLVKDONJSA-N 1 2 245.326 2.961 20 0 BFADLO c1ccc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]c1 ZINC000425278452 192086930 /nfs/dbraw/zinc/08/69/30/192086930.db2.gz GYQKOQVMKCCDDN-RYUDHWBXSA-N 1 2 202.301 2.930 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC3(CC3)CC2)no1 ZINC000626113951 345307522 /nfs/dbraw/zinc/30/75/22/345307522.db2.gz NPACKLQDIFZVSV-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC3(CC3)CC2)no1 ZINC000626113951 345307525 /nfs/dbraw/zinc/30/75/25/345307525.db2.gz NPACKLQDIFZVSV-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CC(C)=C(C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000635407773 345351632 /nfs/dbraw/zinc/35/16/32/345351632.db2.gz XPINIIUVHSDAGD-UHFFFAOYSA-N 1 2 247.342 2.833 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115554 345335202 /nfs/dbraw/zinc/33/52/02/345335202.db2.gz XLWDRCHVSBGWOO-UHFFFAOYSA-N 1 2 248.374 2.694 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115554 345335203 /nfs/dbraw/zinc/33/52/03/345335203.db2.gz XLWDRCHVSBGWOO-UHFFFAOYSA-N 1 2 248.374 2.694 20 0 BFADLO CC[C@@H]([NH2+][C@H](CC)c1ccccc1)C(=O)OC ZINC000134974147 345427600 /nfs/dbraw/zinc/42/76/00/345427600.db2.gz FDGLZYDVNJDKHC-CHWSQXEVSA-N 1 2 235.327 2.679 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCc2ccco2)[nH+]1 ZINC000080945075 345454194 /nfs/dbraw/zinc/45/41/94/345454194.db2.gz KGHJIKZKAKEVGP-UHFFFAOYSA-N 1 2 242.282 2.514 20 0 BFADLO CC(C)(Nc1ncc(Cl)s1)c1[nH]cc[nH+]1 ZINC000641665620 362587429 /nfs/dbraw/zinc/58/74/29/362587429.db2.gz XCADNFVUFSYIMR-UHFFFAOYSA-N 1 2 242.735 2.867 20 0 BFADLO CC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1F ZINC000641670714 362589974 /nfs/dbraw/zinc/58/99/74/362589974.db2.gz RAOSVPJVDKGXOA-FGWVZKOKSA-N 1 2 220.291 2.988 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)CCS1 ZINC000085682707 345528937 /nfs/dbraw/zinc/52/89/37/345528937.db2.gz CGIPVQVUEDXEOE-SNVBAGLBSA-N 1 2 245.351 2.572 20 0 BFADLO CN(c1cc[nH+]c2ccncc21)C1CCC1 ZINC000085688571 345528967 /nfs/dbraw/zinc/52/89/67/345528967.db2.gz OJZNSVOJGVKBRB-UHFFFAOYSA-N 1 2 213.284 2.619 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1cncc(F)c1 ZINC000090720238 345574396 /nfs/dbraw/zinc/57/43/96/345574396.db2.gz XSISAJSHLYGDID-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000091917265 345611570 /nfs/dbraw/zinc/61/15/70/345611570.db2.gz ZHGPHKUAXADGBM-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCOC(C)(C)C2)c1 ZINC000091917265 345611571 /nfs/dbraw/zinc/61/15/71/345611571.db2.gz ZHGPHKUAXADGBM-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000092509028 345626502 /nfs/dbraw/zinc/62/65/02/345626502.db2.gz AVHORXMUBDNFOK-VXGBXAGGSA-N 1 2 225.282 2.987 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000092509028 345626503 /nfs/dbraw/zinc/62/65/03/345626503.db2.gz AVHORXMUBDNFOK-VXGBXAGGSA-N 1 2 225.282 2.987 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOCC23CCC3)cc1F ZINC000093510701 345662681 /nfs/dbraw/zinc/66/26/81/345662681.db2.gz AKQQBWMIHQPVNR-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(C[N@H+]2CCOCC23CCC3)cc1F ZINC000093510701 345662683 /nfs/dbraw/zinc/66/26/83/345662683.db2.gz AKQQBWMIHQPVNR-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2ccc(F)cn2)on1 ZINC000092752058 345642583 /nfs/dbraw/zinc/64/25/83/345642583.db2.gz ONGNITVFVUWWHC-SECBINFHSA-N 1 2 249.289 2.622 20 0 BFADLO C[C@H]1CC[C@@H](CNc2nc[nH+]c(N)c2Cl)C1 ZINC000235645410 537902246 /nfs/dbraw/zinc/90/22/46/537902246.db2.gz KRKLJKRLKAGYOG-JGVFFNPUSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@H]1CC[C@@H](CNc2[nH+]cnc(N)c2Cl)C1 ZINC000235645410 537902254 /nfs/dbraw/zinc/90/22/54/537902254.db2.gz KRKLJKRLKAGYOG-JGVFFNPUSA-N 1 2 240.738 2.560 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@H]2CC[C@@H](C1)S2 ZINC000641678317 362600047 /nfs/dbraw/zinc/60/00/47/362600047.db2.gz VZKAYEYRZXDDTA-ZJUUUORDSA-N 1 2 238.331 2.695 20 0 BFADLO Cc1ncc([C@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000641683113 362601903 /nfs/dbraw/zinc/60/19/03/362601903.db2.gz VEFSOQGNDYYDHT-QMMMGPOBSA-N 1 2 249.339 2.512 20 0 BFADLO FCCC1CCN(c2cc[nH+]cc2F)CC1 ZINC000641681945 362604173 /nfs/dbraw/zinc/60/41/73/362604173.db2.gz LNEXJQWBDANAIU-UHFFFAOYSA-N 1 2 226.270 2.797 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2cnc(C)o2)o1 ZINC000628292529 347087012 /nfs/dbraw/zinc/08/70/12/347087012.db2.gz IBVRDEFHCQMINZ-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC000219942302 345746029 /nfs/dbraw/zinc/74/60/29/345746029.db2.gz SQSCSMOBZLGMPG-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC000219942302 345746032 /nfs/dbraw/zinc/74/60/32/345746032.db2.gz SQSCSMOBZLGMPG-UHFFFAOYSA-N 1 2 204.726 2.638 20 0 BFADLO OCc1ccc(NCC2CCCCC2)[nH+]c1 ZINC000226296129 345750938 /nfs/dbraw/zinc/75/09/38/345750938.db2.gz DBVQHEJFSOBAAL-UHFFFAOYSA-N 1 2 220.316 2.566 20 0 BFADLO CS[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1F ZINC000603404820 349938660 /nfs/dbraw/zinc/93/86/60/349938660.db2.gz ZPZDVZIUZVKJEQ-VXGBXAGGSA-N 1 2 240.347 2.729 20 0 BFADLO CCc1ccsc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140964197 345826367 /nfs/dbraw/zinc/82/63/67/345826367.db2.gz MYRFWADFWLINRQ-MRVPVSSYSA-N 1 2 249.339 2.525 20 0 BFADLO CO[C@H](COc1cc[nH+]cc1)Cc1ccccc1 ZINC000418953207 192092109 /nfs/dbraw/zinc/09/21/09/192092109.db2.gz LCQMMLZZENHUIN-HNNXBMFYSA-N 1 2 243.306 2.718 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cnc(C3CC3)o2)s1 ZINC000628217203 345929728 /nfs/dbraw/zinc/92/97/28/345929728.db2.gz OGSZWEGVQHQUDN-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CCc1cc(NCc2ccc(C)cc2C)nc[nH+]1 ZINC000603383254 349940848 /nfs/dbraw/zinc/94/08/48/349940848.db2.gz BVNWSMVZHMMZDJ-UHFFFAOYSA-N 1 2 241.338 2.690 20 0 BFADLO CNc1cc(N[C@H]2CCCC[C@@H]2C)[nH+]cn1 ZINC000087808224 345941980 /nfs/dbraw/zinc/94/19/80/345941980.db2.gz JXUCZGLMBOJKEY-UWVGGRQHSA-N 1 2 220.320 2.509 20 0 BFADLO CNc1cc(N[C@@H]2CCCC[C@H]2C)[nH+]cn1 ZINC000087808225 345942373 /nfs/dbraw/zinc/94/23/73/345942373.db2.gz JXUCZGLMBOJKEY-NXEZZACHSA-N 1 2 220.320 2.509 20 0 BFADLO Fc1c(Cl)cccc1COCc1[nH]cc[nH+]1 ZINC000191838356 346067960 /nfs/dbraw/zinc/06/79/60/346067960.db2.gz RNPWSEZPZBBUNM-UHFFFAOYSA-N 1 2 240.665 2.919 20 0 BFADLO CC[C@H](NC(=O)CC(C)=C(C)C)c1[nH]cc[nH+]1 ZINC000635806679 346072755 /nfs/dbraw/zinc/07/27/55/346072755.db2.gz JTAHYNFGTRNUKN-NSHDSACASA-N 1 2 235.331 2.723 20 0 BFADLO CCC[C@@H](C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000563281605 323108090 /nfs/dbraw/zinc/10/80/90/323108090.db2.gz AGEUTQPNISUDKX-SNVBAGLBSA-N 1 2 237.347 2.587 20 0 BFADLO Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccon1 ZINC000147784259 537953463 /nfs/dbraw/zinc/95/34/63/537953463.db2.gz ZFTZBZCLOPUZSR-CYBMUJFWSA-N 1 2 232.258 2.591 20 0 BFADLO C[C@@]1(C[N@@H+]2CCC(F)(F)C2)CCCS1 ZINC000628231884 346184708 /nfs/dbraw/zinc/18/47/08/346184708.db2.gz FAOSMGWBFXSBQO-VIFPVBQESA-N 1 2 221.316 2.613 20 0 BFADLO C[C@@]1(C[N@H+]2CCC(F)(F)C2)CCCS1 ZINC000628231884 346184709 /nfs/dbraw/zinc/18/47/09/346184709.db2.gz FAOSMGWBFXSBQO-VIFPVBQESA-N 1 2 221.316 2.613 20 0 BFADLO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccccn2)o1 ZINC000628235043 346188180 /nfs/dbraw/zinc/18/81/80/346188180.db2.gz XFAWCXYTGVLRHE-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncc(C[N@H+](C)[C@H](C)c2ccccn2)o1 ZINC000628235043 346188182 /nfs/dbraw/zinc/18/81/82/346188182.db2.gz XFAWCXYTGVLRHE-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO CCc1cc(N(C)CC2CCCC2)nc[nH+]1 ZINC000603386300 349942168 /nfs/dbraw/zinc/94/21/68/349942168.db2.gz PIMWVOVUXXKLLS-UHFFFAOYSA-N 1 2 219.332 2.665 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2cc(C)cc(C)c2)n1 ZINC000628253165 346227200 /nfs/dbraw/zinc/22/72/00/346227200.db2.gz WWAHDTOYCMDHRS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2cc(C)cc(C)c2)n1 ZINC000628253165 346227204 /nfs/dbraw/zinc/22/72/04/346227204.db2.gz WWAHDTOYCMDHRS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cc(N[C@@H](C)c2cnn(C(C)C)c2)nc[nH+]1 ZINC000603399341 349946623 /nfs/dbraw/zinc/94/66/23/349946623.db2.gz YVMMDJQYHCGVAV-NSHDSACASA-N 1 2 245.330 2.736 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc(C)c[nH]1 ZINC000628280843 346292233 /nfs/dbraw/zinc/29/22/33/346292233.db2.gz LJFYFGSHWQMPEV-ZDUSSCGKSA-N 1 2 244.342 2.696 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc(C)c[nH]1 ZINC000628280843 346292236 /nfs/dbraw/zinc/29/22/36/346292236.db2.gz LJFYFGSHWQMPEV-ZDUSSCGKSA-N 1 2 244.342 2.696 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CC(F)(F)C1 ZINC000628281866 346291844 /nfs/dbraw/zinc/29/18/44/346291844.db2.gz CORKNEAPXVYJAT-WDSKDSINSA-N 1 2 231.208 2.961 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cnc(C)o2)o1 ZINC000641761504 362685287 /nfs/dbraw/zinc/68/52/87/362685287.db2.gz UEYKXOCWMVEHHW-UHFFFAOYSA-N 1 2 238.312 2.588 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccc(C)n2)o1 ZINC000356995019 179068987 /nfs/dbraw/zinc/06/89/87/179068987.db2.gz GDDQMWPXSNQTQV-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccc(C)n2)o1 ZINC000356995019 179068990 /nfs/dbraw/zinc/06/89/90/179068990.db2.gz GDDQMWPXSNQTQV-GFCCVEGCSA-N 1 2 245.326 2.879 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCC(C)(C)O1 ZINC000184675640 535043759 /nfs/dbraw/zinc/04/37/59/535043759.db2.gz BOZOOPOQEAIQOF-JTQLQIEISA-N 1 2 235.318 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCC(C)(C)O1 ZINC000184675640 535043765 /nfs/dbraw/zinc/04/37/65/535043765.db2.gz BOZOOPOQEAIQOF-JTQLQIEISA-N 1 2 235.318 2.920 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(C)n2)s1 ZINC000357387876 179069245 /nfs/dbraw/zinc/06/92/45/179069245.db2.gz GSRFSMSZGAHJIS-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(C)n2)s1 ZINC000357387876 179069247 /nfs/dbraw/zinc/06/92/47/179069247.db2.gz GSRFSMSZGAHJIS-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Oc1ccc(C2CC[NH+](CC(F)F)CC2)cc1 ZINC000603408157 349957836 /nfs/dbraw/zinc/95/78/36/349957836.db2.gz BDFLVOMOGYJVOD-UHFFFAOYSA-N 1 2 241.281 2.837 20 0 BFADLO Oc1ccc([C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000603409678 349958907 /nfs/dbraw/zinc/95/89/07/349958907.db2.gz NEWUXOLOHMBKGQ-LLVKDONJSA-N 1 2 227.254 2.794 20 0 BFADLO Oc1ccc([C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000603409678 349958908 /nfs/dbraw/zinc/95/89/08/349958908.db2.gz NEWUXOLOHMBKGQ-LLVKDONJSA-N 1 2 227.254 2.794 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000641792656 362728921 /nfs/dbraw/zinc/72/89/21/362728921.db2.gz XYKCYTRJMGNMSB-BDAKNGLRSA-N 1 2 214.259 2.694 20 0 BFADLO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C(F)F ZINC000641794571 362736257 /nfs/dbraw/zinc/73/62/57/362736257.db2.gz VYERSOVEOPCYDF-QMMMGPOBSA-N 1 2 224.254 2.911 20 0 BFADLO COc1ccc(CCNc2cccc[nH+]2)cc1F ZINC000170869357 346466710 /nfs/dbraw/zinc/46/67/10/346466710.db2.gz BDXWLJGRLRXRAS-UHFFFAOYSA-N 1 2 246.285 2.884 20 0 BFADLO CCCc1nc(C[N@H+](C)C2CC2)cs1 ZINC000047921582 346531102 /nfs/dbraw/zinc/53/11/02/346531102.db2.gz QMRNQFZHOKFBHX-UHFFFAOYSA-N 1 2 210.346 2.690 20 0 BFADLO CCCc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000047921582 346531105 /nfs/dbraw/zinc/53/11/05/346531105.db2.gz QMRNQFZHOKFBHX-UHFFFAOYSA-N 1 2 210.346 2.690 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cs1 ZINC000679227168 488322223 /nfs/dbraw/zinc/32/22/23/488322223.db2.gz WZJHUIHMOQUEBE-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cs1 ZINC000679227168 488322225 /nfs/dbraw/zinc/32/22/25/488322225.db2.gz WZJHUIHMOQUEBE-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1[nH]c(CNc2ccc3c(c2)COC3)[nH+]c1C ZINC000577125876 365829060 /nfs/dbraw/zinc/82/90/60/365829060.db2.gz ZWVQNEDSKNEUOP-UHFFFAOYSA-N 1 2 243.310 2.669 20 0 BFADLO CC[N@H+](Cc1ccoc1)[C@H](C)c1nc(C)no1 ZINC000588236676 346648986 /nfs/dbraw/zinc/64/89/86/346648986.db2.gz VYRNWAOTIARDCU-SECBINFHSA-N 1 2 235.287 2.554 20 0 BFADLO CC[N@@H+](Cc1ccoc1)[C@H](C)c1nc(C)no1 ZINC000588236676 346648987 /nfs/dbraw/zinc/64/89/87/346648987.db2.gz VYRNWAOTIARDCU-SECBINFHSA-N 1 2 235.287 2.554 20 0 BFADLO CC(C)=CC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000334150989 187370353 /nfs/dbraw/zinc/37/03/53/187370353.db2.gz JYTQTMBJVHPPLY-LBPRGKRZSA-N 1 2 234.347 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000334150989 187370355 /nfs/dbraw/zinc/37/03/55/187370355.db2.gz JYTQTMBJVHPPLY-LBPRGKRZSA-N 1 2 234.347 2.606 20 0 BFADLO Cc1cc(N(C)Cc2ccc(F)cc2)nc[nH+]1 ZINC000301284005 187371118 /nfs/dbraw/zinc/37/11/18/187371118.db2.gz YNOXJJYQSGGUOL-UHFFFAOYSA-N 1 2 231.274 2.561 20 0 BFADLO COc1ccc(CNc2cc(C)[nH+]cn2)cc1F ZINC000301221927 187371524 /nfs/dbraw/zinc/37/15/24/187371524.db2.gz ATPXENUROLAAND-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO C1=CC[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301804246 187371542 /nfs/dbraw/zinc/37/15/42/187371542.db2.gz BDALGPIZMVMPLI-GFCCVEGCSA-N 1 2 244.342 2.819 20 0 BFADLO C1=CC[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301804246 187371544 /nfs/dbraw/zinc/37/15/44/187371544.db2.gz BDALGPIZMVMPLI-GFCCVEGCSA-N 1 2 244.342 2.819 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)no1 ZINC000378675421 346802120 /nfs/dbraw/zinc/80/21/20/346802120.db2.gz OKKNVJAEOVMPGV-GMTAPVOTSA-N 1 2 226.295 2.914 20 0 BFADLO CO[C@@H](CC(C)C)C[N@H+](CC(F)F)C1CC1 ZINC000419210460 192104740 /nfs/dbraw/zinc/10/47/40/192104740.db2.gz UYRXOLXBHJOOBX-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@@H](CC(C)C)C[N@@H+](CC(F)F)C1CC1 ZINC000419210460 192104741 /nfs/dbraw/zinc/10/47/41/192104741.db2.gz UYRXOLXBHJOOBX-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@H](CC(C)C)C[N@H+](CC(F)F)C1CC1 ZINC000419210459 192104780 /nfs/dbraw/zinc/10/47/80/192104780.db2.gz UYRXOLXBHJOOBX-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@H](CC(C)C)C[N@@H+](CC(F)F)C1CC1 ZINC000419210459 192104781 /nfs/dbraw/zinc/10/47/81/192104781.db2.gz UYRXOLXBHJOOBX-LLVKDONJSA-N 1 2 235.318 2.777 20 0 BFADLO CCCCc1nc(C[N@H+](C)C(C)(C)C)no1 ZINC000582099571 347230814 /nfs/dbraw/zinc/23/08/14/347230814.db2.gz RRNZTGNOTFYQFO-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](C)C(C)(C)C)no1 ZINC000582099571 347230818 /nfs/dbraw/zinc/23/08/18/347230818.db2.gz RRNZTGNOTFYQFO-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO Cc1cccc([C@H](O)CNc2cccc[nH+]2)c1 ZINC000132515206 179202572 /nfs/dbraw/zinc/20/25/72/179202572.db2.gz JTUKBYJSRFOUDE-CYBMUJFWSA-N 1 2 228.295 2.536 20 0 BFADLO CCC(F)(F)CN[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000624148971 347282375 /nfs/dbraw/zinc/28/23/75/347282375.db2.gz SFFSWLSXWJBXFW-RKDXNWHRSA-N 1 2 229.274 2.524 20 0 BFADLO Cc1cc(NC(=O)Cc2ccccc2F)cc[nH+]1 ZINC000072710043 347283770 /nfs/dbraw/zinc/28/37/70/347283770.db2.gz IBQFVSQIUYUSJC-UHFFFAOYSA-N 1 2 244.269 2.710 20 0 BFADLO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000035043250 358453055 /nfs/dbraw/zinc/45/30/55/358453055.db2.gz JPYLFNSATSBTKY-TZMCWYRMSA-N 1 2 249.354 2.672 20 0 BFADLO Cc1ccc(NC(=O)NCc2ccoc2)c(C)[nH+]1 ZINC000176709149 365887986 /nfs/dbraw/zinc/88/79/86/365887986.db2.gz CQIZTJDPPDMYLR-UHFFFAOYSA-N 1 2 245.282 2.613 20 0 BFADLO Cc1c(F)cccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493090066 347522683 /nfs/dbraw/zinc/52/26/83/347522683.db2.gz UFSJGIMCJABKHC-WAYWQWQTSA-N 1 2 245.257 2.509 20 0 BFADLO CCCN(Cc1[nH+]ccn1CC)CC(F)(F)F ZINC000591809530 347700116 /nfs/dbraw/zinc/70/01/16/347700116.db2.gz NADYLEAWJKKJJO-UHFFFAOYSA-N 1 2 249.280 2.677 20 0 BFADLO CC1(C)CCCC[C@H]1NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493379600 347767812 /nfs/dbraw/zinc/76/78/12/347767812.db2.gz DPMCUXXJSPFPBX-XUIVZRPNSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)OC(=O)[C@@H]([NH2+]CC1=CCCC1)C(C)C ZINC000592126314 347739230 /nfs/dbraw/zinc/73/92/30/347739230.db2.gz MYNRFILNYFSBDT-ZDUSSCGKSA-N 1 2 239.359 2.663 20 0 BFADLO CCCc1cccc(C[N@H+](C)CC(=O)OCC)c1 ZINC000360834883 187381317 /nfs/dbraw/zinc/38/13/17/187381317.db2.gz JFDUZWFQBYXWSV-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCCc1cccc(C[N@@H+](C)CC(=O)OCC)c1 ZINC000360834883 187381319 /nfs/dbraw/zinc/38/13/19/187381319.db2.gz JFDUZWFQBYXWSV-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CC(C)SCC[N@@H+]1CCCC(F)(F)C1 ZINC000593052871 347852992 /nfs/dbraw/zinc/85/29/92/347852992.db2.gz MXQBZXJKLMRLSM-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC(C)SCC[N@H+]1CCCC(F)(F)C1 ZINC000593052871 347852995 /nfs/dbraw/zinc/85/29/95/347852995.db2.gz MXQBZXJKLMRLSM-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1ccccc1OCCNc1cccc[nH+]1 ZINC000019777110 179311967 /nfs/dbraw/zinc/31/19/67/179311967.db2.gz VQXGOVXNMYHEFH-UHFFFAOYSA-N 1 2 228.295 2.881 20 0 BFADLO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccc(C2CC2)cc1 ZINC000577356079 365932467 /nfs/dbraw/zinc/93/24/67/365932467.db2.gz NUFJEXQOONEEJB-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1c[nH]nn1)c1ccc(C2CC2)cc1 ZINC000577356079 365932476 /nfs/dbraw/zinc/93/24/76/365932476.db2.gz NUFJEXQOONEEJB-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1cn[nH]n1)c1ccc(C2CC2)cc1 ZINC000577356079 365932479 /nfs/dbraw/zinc/93/24/79/365932479.db2.gz NUFJEXQOONEEJB-JTQLQIEISA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H](CCC(F)(F)F)Nc1c[nH]c[nH+]1 ZINC000308589874 347882212 /nfs/dbraw/zinc/88/22/12/347882212.db2.gz URGVBOTTYNFKLB-ZCFIWIBFSA-N 1 2 207.199 2.553 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H]2SC)c1 ZINC000593697850 347930044 /nfs/dbraw/zinc/93/00/44/347930044.db2.gz OAMAVQLVYWATSR-MNOVXSKESA-N 1 2 238.356 2.534 20 0 BFADLO CCSCCNc1[nH+]cccc1SC ZINC000593681169 347932480 /nfs/dbraw/zinc/93/24/80/347932480.db2.gz VJYAGELOHISOCF-UHFFFAOYSA-N 1 2 228.386 2.969 20 0 BFADLO CC[C@@H](C)CN(C)c1nc(C)[nH+]cc1C ZINC000577388661 365942774 /nfs/dbraw/zinc/94/27/74/365942774.db2.gz MVTRAZAGCIMSLD-SECBINFHSA-N 1 2 207.321 2.576 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1csnn1 ZINC000036902030 179321768 /nfs/dbraw/zinc/32/17/68/179321768.db2.gz XNPQJYOLDMODJL-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2nccn2CC)o1 ZINC000449562135 201967159 /nfs/dbraw/zinc/96/71/59/201967159.db2.gz HIIXUGYJLSSOAW-NSHDSACASA-N 1 2 247.342 2.909 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)CSCCF ZINC000595030317 348174517 /nfs/dbraw/zinc/17/45/17/348174517.db2.gz QDYHJRYNHWYICU-SECBINFHSA-N 1 2 244.335 2.593 20 0 BFADLO c1coc([C@@H]2COCC[N@H+]2[C@@H]2C=CCCC2)c1 ZINC000375791206 187389327 /nfs/dbraw/zinc/38/93/27/187389327.db2.gz LOEZUYFGDMGBOL-OLZOCXBDSA-N 1 2 233.311 2.762 20 0 BFADLO c1coc([C@@H]2COCC[N@@H+]2[C@@H]2C=CCCC2)c1 ZINC000375791206 187389329 /nfs/dbraw/zinc/38/93/29/187389329.db2.gz LOEZUYFGDMGBOL-OLZOCXBDSA-N 1 2 233.311 2.762 20 0 BFADLO Cc1cccnc1[C@@H]([NH2+]Cc1ccon1)C(C)C ZINC000120871719 179397772 /nfs/dbraw/zinc/39/77/72/179397772.db2.gz VTSGWVOHQMBSBI-ZDUSSCGKSA-N 1 2 245.326 2.865 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC=CCC1 ZINC000336085122 179419191 /nfs/dbraw/zinc/41/91/91/179419191.db2.gz VZOBAWKAPCQJPL-LBPRGKRZSA-N 1 2 230.311 2.993 20 0 BFADLO CCn1cc[nH+]c1CSCC[C@H]1CCOC1 ZINC000419425133 192134560 /nfs/dbraw/zinc/13/45/60/192134560.db2.gz VDBGKEHSOMSWMS-LLVKDONJSA-N 1 2 240.372 2.563 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@H](F)C1 ZINC000575065687 348623493 /nfs/dbraw/zinc/62/34/93/348623493.db2.gz VPQDGODOZGSADX-NSHDSACASA-N 1 2 211.255 2.760 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@H](F)C1 ZINC000575065687 348623497 /nfs/dbraw/zinc/62/34/97/348623497.db2.gz VPQDGODOZGSADX-NSHDSACASA-N 1 2 211.255 2.760 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1C=CCC1 ZINC000107285688 179707731 /nfs/dbraw/zinc/70/77/31/179707731.db2.gz HMULYCFZUBARRT-LLVKDONJSA-N 1 2 216.284 2.685 20 0 BFADLO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000054600829 349064099 /nfs/dbraw/zinc/06/40/99/349064099.db2.gz KNYQOHHDDHITQQ-OKILXGFUSA-N 1 2 247.313 2.912 20 0 BFADLO O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000054600829 349064105 /nfs/dbraw/zinc/06/41/05/349064105.db2.gz KNYQOHHDDHITQQ-OKILXGFUSA-N 1 2 247.313 2.912 20 0 BFADLO c1cn(CCSc2ccccc2)c[nH+]1 ZINC000059601932 349229116 /nfs/dbraw/zinc/22/91/16/349229116.db2.gz CTVCLOHBHPPCJH-UHFFFAOYSA-N 1 2 204.298 2.675 20 0 BFADLO CCOC(=O)C[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000599628807 349231223 /nfs/dbraw/zinc/23/12/23/349231223.db2.gz UVUOCRMSRHCZKP-HNNXBMFYSA-N 1 2 249.354 2.845 20 0 BFADLO Cc1occc1CN(C)c1nc(C)[nH+]c(C)c1C ZINC000301701953 179905287 /nfs/dbraw/zinc/90/52/87/179905287.db2.gz TXQOGUVXOHXNFU-UHFFFAOYSA-N 1 2 245.326 2.940 20 0 BFADLO CC(C)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603785214 350032717 /nfs/dbraw/zinc/03/27/17/350032717.db2.gz FVJOVJFTJHXCPE-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CC[C@H](C)C2)[nH+]1 ZINC000631092782 349416508 /nfs/dbraw/zinc/41/65/08/349416508.db2.gz JCDLSJVOURSZRF-JTQLQIEISA-N 1 2 244.342 2.928 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000409444818 191012373 /nfs/dbraw/zinc/01/23/73/191012373.db2.gz HKHYJXJLVODSTF-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@H](C)C[C@H]2C)no1 ZINC000409444818 191012376 /nfs/dbraw/zinc/01/23/76/191012376.db2.gz HKHYJXJLVODSTF-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc(CNc2ccc(N(C)C)[nH+]c2)cs1 ZINC000036989095 179975917 /nfs/dbraw/zinc/97/59/17/179975917.db2.gz WGPWVWNEVDBIBN-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603881336 350048037 /nfs/dbraw/zinc/04/80/37/350048037.db2.gz FGXHZWAFMSRYDN-JTQLQIEISA-N 1 2 231.299 2.565 20 0 BFADLO Cc1nc(C)c(C[NH2+]CC(C)(F)F)s1 ZINC000382327580 350108894 /nfs/dbraw/zinc/10/88/94/350108894.db2.gz VNNRDKXOQMQQMU-UHFFFAOYSA-N 1 2 220.288 2.505 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CS[C@H](C)C2)[nH+]1 ZINC000334112069 180023945 /nfs/dbraw/zinc/02/39/45/180023945.db2.gz CTCOBKSTDKVVPP-APPZFPTMSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCSC2)[nH+]1 ZINC000330195400 180024959 /nfs/dbraw/zinc/02/49/59/180024959.db2.gz PDSYEBSIYCDPQP-VIFPVBQESA-N 1 2 248.355 2.574 20 0 BFADLO Cc1nc([C@@H](C)[N@H+](C)CCc2ccccc2)no1 ZINC000289781175 180033729 /nfs/dbraw/zinc/03/37/29/180033729.db2.gz LADDYGMIRIVNGH-LLVKDONJSA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+](C)CCc2ccccc2)no1 ZINC000289781175 180033730 /nfs/dbraw/zinc/03/37/30/180033730.db2.gz LADDYGMIRIVNGH-LLVKDONJSA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cs1 ZINC000222469311 180036872 /nfs/dbraw/zinc/03/68/72/180036872.db2.gz WJRKYFSVWQWLBH-HTQZYQBOSA-N 1 2 236.344 2.586 20 0 BFADLO CC[N@H+](Cc1nc(C2CCCC2)no1)C1CC1 ZINC000131970065 191019802 /nfs/dbraw/zinc/01/98/02/191019802.db2.gz FOTGJIZTIVFHPL-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC[N@@H+](Cc1nc(C2CCCC2)no1)C1CC1 ZINC000131970065 191019804 /nfs/dbraw/zinc/01/98/04/191019804.db2.gz FOTGJIZTIVFHPL-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO Cc1nc([C@H](C)[NH2+]Cc2cccnc2)cs1 ZINC000036915368 180049589 /nfs/dbraw/zinc/04/95/89/180049589.db2.gz QFNQJWWNOIWIHU-VIFPVBQESA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000360114666 180059679 /nfs/dbraw/zinc/05/96/79/180059679.db2.gz IEHUOQQZXOQAIG-GXSJLCMTSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1nc(N2CCC(C)(C)C2)c2c([nH+]1)CCCC2 ZINC000302119567 180069115 /nfs/dbraw/zinc/06/91/15/180069115.db2.gz XJGAKOXMPHAZBZ-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000339228110 180130021 /nfs/dbraw/zinc/13/00/21/180130021.db2.gz ONLQFWYCVKERLT-PWSUYJOCSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@H]2C)c[nH+]1 ZINC000361262870 180130141 /nfs/dbraw/zinc/13/01/41/180130141.db2.gz UMZYGKWPMUJIPR-FOGDFJRCSA-N 1 2 249.358 2.520 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@H]2CCCC[C@H]2C)c[nH+]1 ZINC000339223147 180130526 /nfs/dbraw/zinc/13/05/26/180130526.db2.gz IYNAYOMUMCKQBE-ZYHUDNBSSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ncccc2C)s1 ZINC000180439753 180140205 /nfs/dbraw/zinc/14/02/05/180140205.db2.gz UNRCMRRKZRODKN-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ncccc2C)s1 ZINC000180439753 180140208 /nfs/dbraw/zinc/14/02/08/180140208.db2.gz UNRCMRRKZRODKN-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(Cl)cc1 ZINC000336450344 180119185 /nfs/dbraw/zinc/11/91/85/180119185.db2.gz IMTGPYGCLLWZPE-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1nc(N2CCC[C@@H]2CC(C)C)cc[nH+]1 ZINC000360995910 180193571 /nfs/dbraw/zinc/19/35/71/180193571.db2.gz JTJOESZUWJYXPN-GFCCVEGCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N2CC[C@@H](CC(F)(F)F)C2)cc[nH+]1 ZINC000277495706 180195483 /nfs/dbraw/zinc/19/54/83/180195483.db2.gz SEWIOHJDLBJGQX-VIFPVBQESA-N 1 2 245.248 2.564 20 0 BFADLO Cc1nc(NCCCOc2ccccc2)cc[nH+]1 ZINC000054936536 180197384 /nfs/dbraw/zinc/19/73/84/180197384.db2.gz HZOGUNZSMZPSLJ-UHFFFAOYSA-N 1 2 243.310 2.666 20 0 BFADLO Cc1nc(NCC2(C(C)C)CC2)cc[nH+]1 ZINC000175761092 180197796 /nfs/dbraw/zinc/19/77/96/180197796.db2.gz JANADIQBGGBEOS-UHFFFAOYSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc(NCCc2ccc(F)c(F)c2)cc[nH+]1 ZINC000302770829 180200797 /nfs/dbraw/zinc/20/07/97/180200797.db2.gz MSXDAJPGUSGMNT-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1nc(NC[C@H]2CC=CCC2)cc[nH+]1 ZINC000266442574 180201696 /nfs/dbraw/zinc/20/16/96/180201696.db2.gz WKGUWUSSONQBDD-NSHDSACASA-N 1 2 203.289 2.553 20 0 BFADLO Cc1nc(N[C@@H](C)Cc2ccsc2)cc[nH+]1 ZINC000054936202 180202972 /nfs/dbraw/zinc/20/29/72/180202972.db2.gz HYEYXKAGQPJERJ-VIFPVBQESA-N 1 2 233.340 2.890 20 0 BFADLO Cc1nc(N[C@@H]2CC3CCC2CC3)cc[nH+]1 ZINC000309700027 180203165 /nfs/dbraw/zinc/20/31/65/180203165.db2.gz MIZFUQHCOJNILV-HTAVTVPLSA-N 1 2 217.316 2.776 20 0 BFADLO Cc1nc(N[C@@H](C)Cc2cccs2)cc[nH+]1 ZINC000070852093 180203878 /nfs/dbraw/zinc/20/38/78/180203878.db2.gz NTRMHXNAKCRWME-VIFPVBQESA-N 1 2 233.340 2.890 20 0 BFADLO Cc1nc(N[C@H](C)CCc2ccco2)cc[nH+]1 ZINC000054936311 180204710 /nfs/dbraw/zinc/20/47/10/180204710.db2.gz UHQUCZJHDWANDK-SNVBAGLBSA-N 1 2 231.299 2.811 20 0 BFADLO Cc1nc(N[C@@H]2CCc3ccccc32)cc[nH+]1 ZINC000266159135 180204856 /nfs/dbraw/zinc/20/48/56/180204856.db2.gz WBOKLCDRRVJQOJ-CYBMUJFWSA-N 1 2 225.295 2.884 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2Cc2ccccc2)cc[nH+]1 ZINC000361096733 180205481 /nfs/dbraw/zinc/20/54/81/180205481.db2.gz MORRLQSPQXUEQJ-ZIAGYGMSSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1nc(N[C@@H]2c3ccccc3O[C@H]2C)cc[nH+]1 ZINC000289074427 180206022 /nfs/dbraw/zinc/20/60/22/180206022.db2.gz NRKKSZBJFNSPIR-XPTSAGLGSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@@H]1CCCOC1 ZINC000309731733 180226351 /nfs/dbraw/zinc/22/63/51/180226351.db2.gz BHXSUGYXYGGUMW-CMPLNLGQSA-N 1 2 220.316 2.617 20 0 BFADLO CC[C@@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000223625539 350281688 /nfs/dbraw/zinc/28/16/88/350281688.db2.gz SPOQALKEDXDUIA-GFCCVEGCSA-N 1 2 231.299 2.619 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cscn1 ZINC000307562382 323324246 /nfs/dbraw/zinc/32/42/46/323324246.db2.gz KSMXUZQHKVHAHM-XHNCKOQMSA-N 1 2 214.309 2.684 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072366172 180316529 /nfs/dbraw/zinc/31/65/29/180316529.db2.gz APSBXYRCFLYWTQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000072366172 180316530 /nfs/dbraw/zinc/31/65/30/180316530.db2.gz APSBXYRCFLYWTQ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO CCc1cc(NCC2CCCC2)nc[nH+]1 ZINC000040765089 350394650 /nfs/dbraw/zinc/39/46/50/350394650.db2.gz UOFHUPRHXTZHOT-UHFFFAOYSA-N 1 2 205.305 2.641 20 0 BFADLO CCc1cc(NC[C@H]2Cc3ccccc32)nc[nH+]1 ZINC000040765140 350395138 /nfs/dbraw/zinc/39/51/38/350395138.db2.gz SKVDNGUQXHZZSU-GFCCVEGCSA-N 1 2 239.322 2.791 20 0 BFADLO Cc1cc(C)c(C[NH2+]Cc2ccn[nH]2)cc1C ZINC000041015440 350404122 /nfs/dbraw/zinc/40/41/22/350404122.db2.gz VBQWLULXCZKNDQ-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631093322 350454001 /nfs/dbraw/zinc/45/40/01/350454001.db2.gz USICCBVFYYZJGJ-SECBINFHSA-N 1 2 242.326 2.682 20 0 BFADLO Cc1nc(NCCC[C@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000154474420 538092503 /nfs/dbraw/zinc/09/25/03/538092503.db2.gz XMDQRZIQTKNEIM-CHWSQXEVSA-N 1 2 249.358 2.528 20 0 BFADLO CC1(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000444087678 191111373 /nfs/dbraw/zinc/11/13/73/191111373.db2.gz SXQYWTLNDHFAHL-UHFFFAOYSA-N 1 2 227.311 2.654 20 0 BFADLO CCCC[C@@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000337454515 350586852 /nfs/dbraw/zinc/58/68/52/350586852.db2.gz JLZPVTNYXOEQQW-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1noc(C)c1C[NH2+][C@@H](C)c1nccs1 ZINC000070717639 180474173 /nfs/dbraw/zinc/47/41/73/180474173.db2.gz ODXROYQXWYYHEN-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ncc(C[NH+]2CC(C)(CC(F)(F)F)C2)o1 ZINC000628308078 350726250 /nfs/dbraw/zinc/72/62/50/350726250.db2.gz UVSQUPRWUXSYKF-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO FC1(CNc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000309555142 323425112 /nfs/dbraw/zinc/42/51/12/323425112.db2.gz HHPPHSQSMIPEIB-UHFFFAOYSA-N 1 2 220.291 2.874 20 0 BFADLO Cc1ccc(NC(=O)NCC2CCC2)c(C)[nH+]1 ZINC000176780693 191125798 /nfs/dbraw/zinc/12/57/98/191125798.db2.gz QRSFRDCWKSMBLN-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1cnc(Cl)s1 ZINC000306745579 350933754 /nfs/dbraw/zinc/93/37/54/350933754.db2.gz BIJDTHCRKKNTTK-BQBZGAKWSA-N 1 2 216.737 2.779 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)C(C)(F)F)c(F)c1 ZINC000389447451 350883482 /nfs/dbraw/zinc/88/34/82/350883482.db2.gz OZJHXTLCIYSSCI-MRVPVSSYSA-N 1 2 247.260 2.968 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccsc1Cl ZINC000398053076 362994692 /nfs/dbraw/zinc/99/46/92/362994692.db2.gz GQGXKRCAPIUCPS-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Fc1cccc(Cl)c1CCn1cc[nH+]c1 ZINC000035972916 358459532 /nfs/dbraw/zinc/45/95/32/358459532.db2.gz MCVPYZMECQEGJL-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO Cc1nc(C)c(CNc2cc(C)c[nH+]c2C)o1 ZINC000628324190 351235943 /nfs/dbraw/zinc/23/59/43/351235943.db2.gz IWARVJGFGNCTQF-UHFFFAOYSA-N 1 2 231.299 2.915 20 0 BFADLO CCCCc1cc(N[C@H](CC)COC)nc[nH+]1 ZINC000631124920 351235985 /nfs/dbraw/zinc/23/59/85/351235985.db2.gz UVEYXWFYQCVIMM-LLVKDONJSA-N 1 2 237.347 2.656 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1C=CCC1 ZINC000265048231 351261797 /nfs/dbraw/zinc/26/17/97/351261797.db2.gz XZWOHYCBADMMCM-NSHDSACASA-N 1 2 230.311 2.939 20 0 BFADLO CC[N@H+](Cc1nonc1C)Cc1ccccc1C ZINC000265052806 351262111 /nfs/dbraw/zinc/26/21/11/351262111.db2.gz QNRDTZFWRKNETJ-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nonc1C)Cc1ccccc1C ZINC000265052806 351262113 /nfs/dbraw/zinc/26/21/13/351262113.db2.gz QNRDTZFWRKNETJ-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631634961 351323865 /nfs/dbraw/zinc/32/38/65/351323865.db2.gz OZDVEHVLEFHKOU-NSHDSACASA-N 1 2 226.270 2.704 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCCCO1 ZINC000268052216 351327051 /nfs/dbraw/zinc/32/70/51/351327051.db2.gz QHABOADDLJIXHF-LBPRGKRZSA-N 1 2 248.326 2.542 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3ccc(C)cc3C2)n1 ZINC000628337412 351280177 /nfs/dbraw/zinc/28/01/77/351280177.db2.gz FPMGCFMOWFFDFC-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3ccc(C)cc3C2)n1 ZINC000628337412 351280183 /nfs/dbraw/zinc/28/01/83/351280183.db2.gz FPMGCFMOWFFDFC-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(NC(=O)C2(C)CCCC2)cc[nH+]1 ZINC000072709828 351377721 /nfs/dbraw/zinc/37/77/21/351377721.db2.gz XGJJYJKNMAAKIW-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO CCc1nc(C[NH2+][C@H](CC)c2ccccc2)no1 ZINC000271724587 351430727 /nfs/dbraw/zinc/43/07/27/351430727.db2.gz XKHJAYWJTUMMQG-GFCCVEGCSA-N 1 2 245.326 2.873 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000153062193 363030609 /nfs/dbraw/zinc/03/06/09/363030609.db2.gz XAUXGWUPDHGDDK-QWRGUYRKSA-N 1 2 248.326 2.855 20 0 BFADLO Cc1ccc(SCCC[NH+]2CCCC2)nc1 ZINC000188297427 187486020 /nfs/dbraw/zinc/48/60/20/187486020.db2.gz ZJELCMXNOWUZLC-UHFFFAOYSA-N 1 2 236.384 2.968 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1c(C)cccc1C)C(=O)OC ZINC000577685815 366035213 /nfs/dbraw/zinc/03/52/13/366035213.db2.gz ISKHMBHVNLXBSB-CHWSQXEVSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)Cc1ccc(F)cc1 ZINC000577768408 366057120 /nfs/dbraw/zinc/05/71/20/366057120.db2.gz AORPHYLWMQOOHQ-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1ccns1 ZINC000637873586 351739694 /nfs/dbraw/zinc/73/96/94/351739694.db2.gz QNEZKFBNZAQRKK-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1ccns1 ZINC000637873586 351739695 /nfs/dbraw/zinc/73/96/95/351739695.db2.gz QNEZKFBNZAQRKK-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[C@H](CNc1cccc[nH+]1)Oc1ccccc1 ZINC000072945755 351807569 /nfs/dbraw/zinc/80/75/69/351807569.db2.gz KXZYIQKGRSSKDK-GFCCVEGCSA-N 1 2 228.295 2.961 20 0 BFADLO CC[C@H](C)[C@H](C[N@H+](CC(F)F)C1CC1)OC ZINC000638056578 351932669 /nfs/dbraw/zinc/93/26/69/351932669.db2.gz RHHGNTUPZBMPFI-ONGXEEELSA-N 1 2 235.318 2.777 20 0 BFADLO CC[C@H](C)[C@H](C[N@@H+](CC(F)F)C1CC1)OC ZINC000638056578 351932672 /nfs/dbraw/zinc/93/26/72/351932672.db2.gz RHHGNTUPZBMPFI-ONGXEEELSA-N 1 2 235.318 2.777 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1ccns1 ZINC000638014093 351890873 /nfs/dbraw/zinc/89/08/73/351890873.db2.gz CGZRRADFLRSFIF-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1ccns1 ZINC000638014093 351890877 /nfs/dbraw/zinc/89/08/77/351890877.db2.gz CGZRRADFLRSFIF-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CCC[C@@H](C[N@H+](CC(F)F)C(C)C)OC ZINC000638177308 352044228 /nfs/dbraw/zinc/04/42/28/352044228.db2.gz KEEGQWLUAMBKTQ-JTQLQIEISA-N 1 2 223.307 2.777 20 0 BFADLO CCC[C@@H](C[N@@H+](CC(F)F)C(C)C)OC ZINC000638177308 352044233 /nfs/dbraw/zinc/04/42/33/352044233.db2.gz KEEGQWLUAMBKTQ-JTQLQIEISA-N 1 2 223.307 2.777 20 0 BFADLO C[C@H]1CC[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000410875893 191150776 /nfs/dbraw/zinc/15/07/76/191150776.db2.gz DNSVRJWTWAPKNE-QWRGUYRKSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)c[nH+]1 ZINC000638761796 352699708 /nfs/dbraw/zinc/69/97/08/352699708.db2.gz KTFTYVSNWOCEPS-PSASIEDQSA-N 1 2 212.243 2.846 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@H+](CC[C@@H](C)F)C2 ZINC000411940946 191230026 /nfs/dbraw/zinc/23/00/26/191230026.db2.gz ICRBCUYDFSNCMH-SNVBAGLBSA-N 1 2 235.302 2.953 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@@H+](CC[C@@H](C)F)C2 ZINC000411940946 191230028 /nfs/dbraw/zinc/23/00/28/191230028.db2.gz ICRBCUYDFSNCMH-SNVBAGLBSA-N 1 2 235.302 2.953 20 0 BFADLO Cc1[nH+]cccc1NC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638787158 352742155 /nfs/dbraw/zinc/74/21/55/352742155.db2.gz VBNSQTRZAYIZSF-ZSBIGDGJSA-N 1 2 202.301 2.848 20 0 BFADLO COc1cccc([C@H](C)[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334220409 352823107 /nfs/dbraw/zinc/82/31/07/352823107.db2.gz VLWPABWVRJGSEN-NEPJUHHUSA-N 1 2 247.338 2.667 20 0 BFADLO COc1cccc([C@H](C)[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334220409 352823111 /nfs/dbraw/zinc/82/31/11/352823111.db2.gz VLWPABWVRJGSEN-NEPJUHHUSA-N 1 2 247.338 2.667 20 0 BFADLO CC1C[NH+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000334190581 352781299 /nfs/dbraw/zinc/78/12/99/352781299.db2.gz HIQAAHQIKIIDDP-UHFFFAOYSA-N 1 2 224.373 2.892 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000334201561 352794769 /nfs/dbraw/zinc/79/47/69/352794769.db2.gz OGRYTMRVPZYZFC-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc(C(C)(C)C)o2)[C@H]1C ZINC000334201561 352794770 /nfs/dbraw/zinc/79/47/70/352794770.db2.gz OGRYTMRVPZYZFC-UWVGGRQHSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000334247768 352839734 /nfs/dbraw/zinc/83/97/34/352839734.db2.gz WKJIWTDGCYVNKB-NSHDSACASA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000334275071 352911411 /nfs/dbraw/zinc/91/14/11/352911411.db2.gz BRYAEBKKEDQBJT-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)on2)[C@H]1C ZINC000334275071 352911412 /nfs/dbraw/zinc/91/14/12/352911412.db2.gz BRYAEBKKEDQBJT-ZJUUUORDSA-N 1 2 222.332 2.812 20 0 BFADLO Clc1ccsc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334351849 352986135 /nfs/dbraw/zinc/98/61/35/352986135.db2.gz WTAHUDOXOQSJOF-DTORHVGOSA-N 1 2 243.759 2.765 20 0 BFADLO Clc1ccsc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000334351849 352986138 /nfs/dbraw/zinc/98/61/38/352986138.db2.gz WTAHUDOXOQSJOF-DTORHVGOSA-N 1 2 243.759 2.765 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000334327058 352962818 /nfs/dbraw/zinc/96/28/18/352962818.db2.gz LTPZUDLNQSLWDC-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000334327058 352962823 /nfs/dbraw/zinc/96/28/23/352962823.db2.gz LTPZUDLNQSLWDC-CYBMUJFWSA-N 1 2 245.301 2.886 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)[C@H]1CC1(F)F ZINC000638823357 353004505 /nfs/dbraw/zinc/00/45/05/353004505.db2.gz KTCXLNVEWYVHPW-HTQZYQBOSA-N 1 2 228.242 2.546 20 0 BFADLO c1ccc2[nH+]c(N3C[C@@H]4CC=CC[C@@H]4C3)[nH]c2c1 ZINC000301893708 188060193 /nfs/dbraw/zinc/06/01/93/188060193.db2.gz SMBXRPHWZHZAMV-TXEJJXNPSA-N 1 2 239.322 2.965 20 0 BFADLO CN(C)c1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000359505322 188068328 /nfs/dbraw/zinc/06/83/28/188068328.db2.gz GNTJOZUQZMQHAG-UHFFFAOYSA-N 1 2 234.318 2.812 20 0 BFADLO CN(C)c1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000359505322 188068329 /nfs/dbraw/zinc/06/83/29/188068329.db2.gz GNTJOZUQZMQHAG-UHFFFAOYSA-N 1 2 234.318 2.812 20 0 BFADLO Cc1nc(N(C)[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000360535258 188069052 /nfs/dbraw/zinc/06/90/52/188069052.db2.gz OIVJVUOBUDFCHA-CMPLNLGQSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N(C)[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000360055007 188069337 /nfs/dbraw/zinc/06/93/37/188069337.db2.gz NSBZCDWFNCLGJM-NSHDSACASA-N 1 2 219.332 2.800 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(=O)OC ZINC000134926691 538109466 /nfs/dbraw/zinc/10/94/66/538109466.db2.gz TZVQROOPXDQKGJ-TZMCWYRMSA-N 1 2 249.354 2.549 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(=O)OC ZINC000134926632 538109481 /nfs/dbraw/zinc/10/94/81/538109481.db2.gz TZVQROOPXDQKGJ-JSGCOSHPSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1[nH]ncc1C[NH2+]CCSc1ccccc1 ZINC000037904179 188115174 /nfs/dbraw/zinc/11/51/74/188115174.db2.gz IWINHFQJOUSOPP-UHFFFAOYSA-N 1 2 247.367 2.600 20 0 BFADLO CC(C)Oc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000093305798 538109724 /nfs/dbraw/zinc/10/97/24/538109724.db2.gz PAFQDTIEWHQCFV-UHFFFAOYSA-N 1 2 246.310 2.752 20 0 BFADLO Oc1ccc(SCCCn2cc[nH+]c2)cc1 ZINC000049329073 188124487 /nfs/dbraw/zinc/12/44/87/188124487.db2.gz ZDWOVNPTSSJBLX-UHFFFAOYSA-N 1 2 234.324 2.771 20 0 BFADLO Cc1cc(N[C@@H]2CCCOCC2)nc(C2CC2)[nH+]1 ZINC000183000261 188169134 /nfs/dbraw/zinc/16/91/34/188169134.db2.gz YSVDYYZTZWXBTK-GFCCVEGCSA-N 1 2 247.342 2.643 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H](C)C1CCC1)c1[nH]cc[nH+]1 ZINC000412281737 191272539 /nfs/dbraw/zinc/27/25/39/191272539.db2.gz OJGZLUWMPIIHRP-JQWIXIFHSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)c1nc(N(C)C[C@@H]2CCCCO2)cc[nH+]1 ZINC000110260394 188176545 /nfs/dbraw/zinc/17/65/45/188176545.db2.gz DNUHBTQJHHRRJF-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO FC(F)Oc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714619 180907121 /nfs/dbraw/zinc/90/71/21/180907121.db2.gz WDOFUJJJLXSELG-UHFFFAOYSA-N 1 2 239.225 2.623 20 0 BFADLO Cc1nc(N(C)Cc2c(F)cccc2F)cc[nH+]1 ZINC000338791674 188189160 /nfs/dbraw/zinc/18/91/60/188189160.db2.gz QREVOCSKFSRAGJ-UHFFFAOYSA-N 1 2 249.264 2.700 20 0 BFADLO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1ccon1 ZINC000341385754 188217869 /nfs/dbraw/zinc/21/78/69/188217869.db2.gz WXOPBBGFFOUWOF-LLVKDONJSA-N 1 2 248.330 2.611 20 0 BFADLO CC1(C)CCC(CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000330406506 188219555 /nfs/dbraw/zinc/21/95/55/188219555.db2.gz QYMDGJPXBQPBBT-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CC1(C)CCC(CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000330406506 188219557 /nfs/dbraw/zinc/21/95/57/188219557.db2.gz QYMDGJPXBQPBBT-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CC(C)=Cc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273956574 188200419 /nfs/dbraw/zinc/20/04/19/188200419.db2.gz ORCROVJQHQRIAF-UHFFFAOYSA-N 1 2 229.283 2.787 20 0 BFADLO CSc1ccc(NC[C@H]2CCC=CO2)[nH+]c1 ZINC000278537420 188204167 /nfs/dbraw/zinc/20/41/67/188204167.db2.gz WLJITZSSQRZXKM-SNVBAGLBSA-N 1 2 236.340 2.908 20 0 BFADLO COc1ccc(N[C@H](C)c2ccncc2)[nH+]c1 ZINC000225836350 538114304 /nfs/dbraw/zinc/11/43/04/538114304.db2.gz ILSDVHJPRWEASM-SNVBAGLBSA-N 1 2 229.283 2.658 20 0 BFADLO CC(C)[C@H]([NH2+]CCC[C@H]1CCO1)C(F)(F)F ZINC000639094126 353477589 /nfs/dbraw/zinc/47/75/89/353477589.db2.gz CYJICQHHBBRYKV-UWVGGRQHSA-N 1 2 239.281 2.732 20 0 BFADLO CCOC1CC(C[NH2+][C@@H](CC)C(F)(F)F)C1 ZINC000639094541 353478409 /nfs/dbraw/zinc/47/84/09/353478409.db2.gz GTXDUDDPTBWIIH-RTBKNWGFSA-N 1 2 239.281 2.732 20 0 BFADLO C[C@H]([NH2+]Cc1c(F)cccc1F)c1cn[nH]c1 ZINC000230937235 353548688 /nfs/dbraw/zinc/54/86/88/353548688.db2.gz ZCWBEKSMKRDQIN-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1cc(C[NH2+]Cc2nnc(C)s2)cs1 ZINC000391881140 259446243 /nfs/dbraw/zinc/44/62/43/259446243.db2.gz XBNWDVRYVXQKKC-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO COc1ccc2[nH+]c(NCC3CCC3)ccc2c1 ZINC000613441459 363248148 /nfs/dbraw/zinc/24/81/48/363248148.db2.gz CBWIDWIJVVEXSB-UHFFFAOYSA-N 1 2 242.322 2.877 20 0 BFADLO Fc1cccc(F)c1C[NH+]1CCSCC1 ZINC000126235273 181000054 /nfs/dbraw/zinc/00/00/54/181000054.db2.gz OWNBWNMJNQAUOT-UHFFFAOYSA-N 1 2 229.295 2.514 20 0 BFADLO Fc1cccc2c1C[N@H+](C/C=C/Cl)CCO2 ZINC000367211145 181006418 /nfs/dbraw/zinc/00/64/18/181006418.db2.gz CBPWIWOFWRTZOB-GORDUTHDSA-N 1 2 241.693 2.773 20 0 BFADLO Fc1cccc2c1C[N@@H+](C/C=C/Cl)CCO2 ZINC000367211145 181006420 /nfs/dbraw/zinc/00/64/20/181006420.db2.gz CBPWIWOFWRTZOB-GORDUTHDSA-N 1 2 241.693 2.773 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2cocn2)CC1 ZINC000192315834 181010248 /nfs/dbraw/zinc/01/02/48/181010248.db2.gz PCBRZIRXAMFJCW-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000074071127 353742282 /nfs/dbraw/zinc/74/22/82/353742282.db2.gz YAKNPKLETHKHHP-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000074071127 353742284 /nfs/dbraw/zinc/74/22/84/353742284.db2.gz YAKNPKLETHKHHP-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000178470919 366129106 /nfs/dbraw/zinc/12/91/06/366129106.db2.gz PVUMUILIHRQZRQ-LBPRGKRZSA-N 1 2 248.326 2.514 20 0 BFADLO C[C@H]1COCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000334527344 353901108 /nfs/dbraw/zinc/90/11/08/353901108.db2.gz YFAOPIPGRYZOEE-JTQLQIEISA-N 1 2 246.285 2.599 20 0 BFADLO CO[C@@H](C)CN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000343791812 353996786 /nfs/dbraw/zinc/99/67/86/353996786.db2.gz UEYKSEUZJLAODL-JTQLQIEISA-N 1 2 248.301 2.845 20 0 BFADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000343741500 353970465 /nfs/dbraw/zinc/97/04/65/353970465.db2.gz KKWUWUIVJFHCJH-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc(N2CC[C@@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343794410 353999727 /nfs/dbraw/zinc/99/97/27/353999727.db2.gz HQOLLQWYFUPGAU-LLVKDONJSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(N[C@@H]2CCC2(C)C)nc(C2CC2)[nH+]1 ZINC000343804253 354008192 /nfs/dbraw/zinc/00/81/92/354008192.db2.gz IVYCNQOXUAVUKH-LLVKDONJSA-N 1 2 231.343 2.685 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(N[C@H]2CC[C@H]2C)nc[nH+]1 ZINC000343813278 354011582 /nfs/dbraw/zinc/01/15/82/354011582.db2.gz UJIRHHPRFCEUAT-KKOKHZNYSA-N 1 2 246.358 2.897 20 0 BFADLO C[C@@H]1CC[C@H]1Nc1cc(N[C@H]2CC[C@H]2C)[nH+]cn1 ZINC000343813278 354011585 /nfs/dbraw/zinc/01/15/85/354011585.db2.gz UJIRHHPRFCEUAT-KKOKHZNYSA-N 1 2 246.358 2.897 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+][C@H]1CCC1(C)C ZINC000343816666 354012970 /nfs/dbraw/zinc/01/29/70/354012970.db2.gz ZRLAKXOYXFEUJH-NSHDSACASA-N 1 2 247.317 2.735 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000334550505 354018559 /nfs/dbraw/zinc/01/85/59/354018559.db2.gz MFXLRKHPHJUTPI-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000334550505 354018560 /nfs/dbraw/zinc/01/85/60/354018560.db2.gz MFXLRKHPHJUTPI-JTQLQIEISA-N 1 2 235.331 2.591 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C[C@@H]2CC=CCC2)no1 ZINC000344070402 354131273 /nfs/dbraw/zinc/13/12/73/354131273.db2.gz RLKMZLKPJJKRTM-GFCCVEGCSA-N 1 2 249.358 2.981 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C[C@@H]2CC=CCC2)no1 ZINC000344070402 354131276 /nfs/dbraw/zinc/13/12/76/354131276.db2.gz RLKMZLKPJJKRTM-GFCCVEGCSA-N 1 2 249.358 2.981 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC(C)C ZINC000334568970 354093895 /nfs/dbraw/zinc/09/38/95/354093895.db2.gz HZRUCVDFEJPLKR-UHFFFAOYSA-N 1 2 206.289 2.683 20 0 BFADLO CCC1CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000334576075 354107950 /nfs/dbraw/zinc/10/79/50/354107950.db2.gz IFIGJMPEVPWRHX-UHFFFAOYSA-N 1 2 217.316 2.509 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000344119451 354143258 /nfs/dbraw/zinc/14/32/58/354143258.db2.gz OTSJSTGIQVDKFT-VXGBXAGGSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000344119451 354143262 /nfs/dbraw/zinc/14/32/62/354143262.db2.gz OTSJSTGIQVDKFT-VXGBXAGGSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCC[C@H](C[N@@H+]2CCOCC(F)(F)C2)C1 ZINC000344119450 354143351 /nfs/dbraw/zinc/14/33/51/354143351.db2.gz OTSJSTGIQVDKFT-RYUDHWBXSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H]1CCC[C@H](C[N@H+]2CCOCC(F)(F)C2)C1 ZINC000344119450 354143355 /nfs/dbraw/zinc/14/33/55/354143355.db2.gz OTSJSTGIQVDKFT-RYUDHWBXSA-N 1 2 247.329 2.780 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(=O)OC(C)C)c(C)c1 ZINC000449663740 201997907 /nfs/dbraw/zinc/99/79/07/201997907.db2.gz OVNPQZAYWXXUKF-ZDUSSCGKSA-N 1 2 249.354 2.733 20 0 BFADLO Clc1ccc(C[NH+]2CC3(C2)CCCOC3)o1 ZINC000334600741 354278275 /nfs/dbraw/zinc/27/82/75/354278275.db2.gz VTBKWIALNVZZIH-UHFFFAOYSA-N 1 2 241.718 2.545 20 0 BFADLO C[C@H](C(N)=O)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334626349 354366886 /nfs/dbraw/zinc/36/68/86/354366886.db2.gz IGMXSRBQCZOGNU-KOLCDFICSA-N 1 2 234.299 2.730 20 0 BFADLO C[C@H](C(N)=O)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000334626349 354366889 /nfs/dbraw/zinc/36/68/89/354366889.db2.gz IGMXSRBQCZOGNU-KOLCDFICSA-N 1 2 234.299 2.730 20 0 BFADLO C[C@@H](C(N)=O)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334626348 354367122 /nfs/dbraw/zinc/36/71/22/354367122.db2.gz IGMXSRBQCZOGNU-GXSJLCMTSA-N 1 2 234.299 2.730 20 0 BFADLO C[C@@H](C(N)=O)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000334626348 354367124 /nfs/dbraw/zinc/36/71/24/354367124.db2.gz IGMXSRBQCZOGNU-GXSJLCMTSA-N 1 2 234.299 2.730 20 0 BFADLO Cc1nc2[nH]ccc2c(N2[C@@H](C)CC[C@@H]2C)[nH+]1 ZINC000334630247 354372954 /nfs/dbraw/zinc/37/29/54/354372954.db2.gz KFOIBHWNMFFCGU-IUCAKERBSA-N 1 2 230.315 2.644 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C[C@H]1C(C)C ZINC000334643285 354400137 /nfs/dbraw/zinc/40/01/37/354400137.db2.gz AYNFIHGXMKNIHM-NWDGAFQWSA-N 1 2 247.342 2.864 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334643585 354400967 /nfs/dbraw/zinc/40/09/67/354400967.db2.gz GGDDDNYSHNGLFF-AWEZNQCLSA-N 1 2 249.333 2.678 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334643585 354400970 /nfs/dbraw/zinc/40/09/70/354400970.db2.gz GGDDDNYSHNGLFF-AWEZNQCLSA-N 1 2 249.333 2.678 20 0 BFADLO CC1=CC[N@H+](Cc2nnc(C3CC3)s2)CC1 ZINC000334651895 354444383 /nfs/dbraw/zinc/44/43/83/354444383.db2.gz GIEIYSNVNZLTHZ-UHFFFAOYSA-N 1 2 235.356 2.568 20 0 BFADLO CC1=CC[N@@H+](Cc2nnc(C3CC3)s2)CC1 ZINC000334651895 354444386 /nfs/dbraw/zinc/44/43/86/354444386.db2.gz GIEIYSNVNZLTHZ-UHFFFAOYSA-N 1 2 235.356 2.568 20 0 BFADLO CCC1CC[NH+]([C@@H](C)c2csnn2)CC1 ZINC000334653262 354446906 /nfs/dbraw/zinc/44/69/06/354446906.db2.gz FHPPAZFXRQVBDU-VIFPVBQESA-N 1 2 225.361 2.721 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)CC2CCCC2)c2[nH+]ccn21 ZINC000334742777 354545807 /nfs/dbraw/zinc/54/58/07/354545807.db2.gz HHJXSLDTSSTMSL-CMPLNLGQSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H]2C)ncn1 ZINC000334699833 354492180 /nfs/dbraw/zinc/49/21/80/354492180.db2.gz QFJREEIUDOPUDW-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H]2C)ncn1 ZINC000334699833 354492183 /nfs/dbraw/zinc/49/21/83/354492183.db2.gz QFJREEIUDOPUDW-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000335930641 134010399 /nfs/dbraw/zinc/01/03/99/134010399.db2.gz JAJOSVKSDBDIDD-DTWKUNHWSA-N 1 2 244.260 2.941 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000335930641 134010400 /nfs/dbraw/zinc/01/04/00/134010400.db2.gz JAJOSVKSDBDIDD-DTWKUNHWSA-N 1 2 244.260 2.941 20 0 BFADLO Cc1cc(C)c(NC(=O)N(C)C(C)C)c(C)[nH+]1 ZINC000334713040 354510201 /nfs/dbraw/zinc/51/02/01/354510201.db2.gz QZOBGEBTDRDBEO-UHFFFAOYSA-N 1 2 235.331 2.879 20 0 BFADLO CC[C@]1(C)CCC[N@@H+]([C@H](C)c2noc(C)n2)C1 ZINC000334755658 354577651 /nfs/dbraw/zinc/57/76/51/354577651.db2.gz IDTYWFYMDNERJI-ZWNOBZJWSA-N 1 2 237.347 2.951 20 0 BFADLO CC[C@]1(C)CCC[N@H+]([C@H](C)c2noc(C)n2)C1 ZINC000334755658 354577655 /nfs/dbraw/zinc/57/76/55/354577655.db2.gz IDTYWFYMDNERJI-ZWNOBZJWSA-N 1 2 237.347 2.951 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)C2CCCCC2)c2[nH+]ccn21 ZINC000334744455 354548289 /nfs/dbraw/zinc/54/82/89/354548289.db2.gz RUENRZDTXFRTDX-PWSUYJOCSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000345549324 354710905 /nfs/dbraw/zinc/71/09/05/354710905.db2.gz VEQJMBSSLLEAPP-UHFFFAOYSA-N 1 2 240.266 2.539 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C(C)C ZINC000335127857 354774341 /nfs/dbraw/zinc/77/43/41/354774341.db2.gz OMSOJHREFPDBKI-SNVBAGLBSA-N 1 2 220.316 2.929 20 0 BFADLO FC1(F)CC[N@H+](CCCc2ccccc2)C1 ZINC000345813805 354783135 /nfs/dbraw/zinc/78/31/35/354783135.db2.gz FTDACZWTRSKCFW-UHFFFAOYSA-N 1 2 225.282 2.960 20 0 BFADLO FC1(F)CC[N@@H+](CCCc2ccccc2)C1 ZINC000345813805 354783137 /nfs/dbraw/zinc/78/31/37/354783137.db2.gz FTDACZWTRSKCFW-UHFFFAOYSA-N 1 2 225.282 2.960 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000053602539 363417945 /nfs/dbraw/zinc/41/79/45/363417945.db2.gz CMFFADLUHLUGJE-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CCCC[C@@H]2C)no1 ZINC000053602539 363417951 /nfs/dbraw/zinc/41/79/51/363417951.db2.gz CMFFADLUHLUGJE-NSHDSACASA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CCCC)no1 ZINC000053602374 363418663 /nfs/dbraw/zinc/41/86/63/363418663.db2.gz KKANMBVIQZEKAN-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCCCc1nc(C[N@H+](C)CCCC)no1 ZINC000053602374 363418664 /nfs/dbraw/zinc/41/86/64/363418664.db2.gz KKANMBVIQZEKAN-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000053608945 363420968 /nfs/dbraw/zinc/42/09/68/363420968.db2.gz JVQXVJIGUKGYMV-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000053608945 363420970 /nfs/dbraw/zinc/42/09/70/363420970.db2.gz JVQXVJIGUKGYMV-SECBINFHSA-N 1 2 223.320 2.567 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000335947507 134020450 /nfs/dbraw/zinc/02/04/50/134020450.db2.gz ROQQHTCFIRQOCE-QWRGUYRKSA-N 1 2 238.331 2.543 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2C[C@H](C)OC(C)(C)C2)o1 ZINC000335947507 134020451 /nfs/dbraw/zinc/02/04/51/134020451.db2.gz ROQQHTCFIRQOCE-QWRGUYRKSA-N 1 2 238.331 2.543 20 0 BFADLO C[C@H](CCc1cccc(F)c1)[NH+]1CC(F)C1 ZINC000346319063 354894768 /nfs/dbraw/zinc/89/47/68/354894768.db2.gz DGJNDIBZCCPTHW-SNVBAGLBSA-N 1 2 225.282 2.801 20 0 BFADLO CC1=C(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CCC1 ZINC000335160704 354912083 /nfs/dbraw/zinc/91/20/83/354912083.db2.gz YZQHFXDJEATSSG-ZYHUDNBSSA-N 1 2 245.326 2.506 20 0 BFADLO Clc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000335174375 354940480 /nfs/dbraw/zinc/94/04/80/354940480.db2.gz QYOWBNTYCWOCKZ-CBAPKCEASA-N 1 2 229.732 2.623 20 0 BFADLO Clc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000335174375 354940483 /nfs/dbraw/zinc/94/04/83/354940483.db2.gz QYOWBNTYCWOCKZ-CBAPKCEASA-N 1 2 229.732 2.623 20 0 BFADLO CC[C@H](COC)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346456950 354948317 /nfs/dbraw/zinc/94/83/17/354948317.db2.gz CIMCRCFEQPNWGL-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO CC(C)c1nc(N[C@@H](C)c2cccnc2)cc[nH+]1 ZINC000346606454 354991847 /nfs/dbraw/zinc/99/18/47/354991847.db2.gz IVDIETQCKQXBOF-NSHDSACASA-N 1 2 242.326 2.590 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(C(C)C)no2)C1 ZINC000335185190 355083495 /nfs/dbraw/zinc/08/34/95/355083495.db2.gz TZSFVWKBQQYBMN-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(C(C)C)no2)C1 ZINC000335185190 355083498 /nfs/dbraw/zinc/08/34/98/355083498.db2.gz TZSFVWKBQQYBMN-SNVBAGLBSA-N 1 2 235.331 2.591 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@H](C)C2)[nH+]1 ZINC000346696877 355060306 /nfs/dbraw/zinc/06/03/06/355060306.db2.gz XEBHUEOPWYOYAH-NXEZZACHSA-N 1 2 244.342 2.749 20 0 BFADLO COc1cccc([C@@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000346774592 355114219 /nfs/dbraw/zinc/11/42/19/355114219.db2.gz FLWXBQNESGAFSP-LLVKDONJSA-N 1 2 243.310 2.967 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC000639229743 355156027 /nfs/dbraw/zinc/15/60/27/355156027.db2.gz XTOXQEADTJRCJP-VIFPVBQESA-N 1 2 230.233 2.563 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CC[C@H](F)C2)cn1 ZINC000639229743 355156032 /nfs/dbraw/zinc/15/60/32/355156032.db2.gz XTOXQEADTJRCJP-VIFPVBQESA-N 1 2 230.233 2.563 20 0 BFADLO CC(C)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000346939246 355158429 /nfs/dbraw/zinc/15/84/29/355158429.db2.gz HKYVEFWRUYCVNL-UHFFFAOYSA-N 1 2 207.321 2.692 20 0 BFADLO CN(c1cc[nH+]c(C2CC2)n1)C1CC(C)(C)C1 ZINC000413451662 191385778 /nfs/dbraw/zinc/38/57/78/191385778.db2.gz ZYUFODCPYHQHED-UHFFFAOYSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@H]2c2ccccc2)no1 ZINC000335291510 355266924 /nfs/dbraw/zinc/26/69/24/355266924.db2.gz LVTWHOVERBRHHZ-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@H]2c2ccccc2)no1 ZINC000335291510 355266927 /nfs/dbraw/zinc/26/69/27/355266927.db2.gz LVTWHOVERBRHHZ-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO CCN(Cc1occc1C)c1cc[nH+]c(C)n1 ZINC000413560985 191396615 /nfs/dbraw/zinc/39/66/15/191396615.db2.gz XZAXQLDYDODQGC-UHFFFAOYSA-N 1 2 231.299 2.713 20 0 BFADLO CC(C)=CCCNc1cc(NC2CC2)nc[nH+]1 ZINC000413261992 191366792 /nfs/dbraw/zinc/36/67/92/191366792.db2.gz KYJGPAJFLQYSRH-UHFFFAOYSA-N 1 2 232.331 2.819 20 0 BFADLO CC(C)=CCCNc1cc(NC2CC2)[nH+]cn1 ZINC000413261992 191366795 /nfs/dbraw/zinc/36/67/95/191366795.db2.gz KYJGPAJFLQYSRH-UHFFFAOYSA-N 1 2 232.331 2.819 20 0 BFADLO CCC1(c2ccccc2)C[NH+](Cc2ccon2)C1 ZINC000639258456 355306523 /nfs/dbraw/zinc/30/65/23/355306523.db2.gz AJBKAFBQYAJVKF-UHFFFAOYSA-N 1 2 242.322 2.838 20 0 BFADLO Cc1ccccc1CC1C[NH+](Cc2ccon2)C1 ZINC000639250651 355281285 /nfs/dbraw/zinc/28/12/85/355281285.db2.gz WRUFPRWLKQXKQI-UHFFFAOYSA-N 1 2 242.322 2.658 20 0 BFADLO FC(F)(F)CC1C[NH+](Cc2ccns2)C1 ZINC000639252272 355286591 /nfs/dbraw/zinc/28/65/91/355286591.db2.gz CKHGPAZJKRGFOA-UHFFFAOYSA-N 1 2 236.262 2.527 20 0 BFADLO CN(C)C(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000335778174 355404734 /nfs/dbraw/zinc/40/47/34/355404734.db2.gz XKNHPVPJPOYDIZ-UHFFFAOYSA-N 1 2 242.278 2.576 20 0 BFADLO CC[N@H+](Cc1ccn(C)n1)Cc1cccc(F)c1 ZINC000349578907 355395160 /nfs/dbraw/zinc/39/51/60/355395160.db2.gz SMXZEZMBKZOMFL-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1ccn(C)n1)Cc1cccc(F)c1 ZINC000349578907 355395163 /nfs/dbraw/zinc/39/51/63/355395163.db2.gz SMXZEZMBKZOMFL-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[C@@H](Cc1nc(C[NH2+]C)no1)c1ccccc1 ZINC000349906667 355523986 /nfs/dbraw/zinc/52/39/86/355523986.db2.gz GUYWHAMUNXPHQQ-NSHDSACASA-N 1 2 245.326 2.525 20 0 BFADLO CCc1ccc([C@@H](C)c2nc(C[NH2+]C)no2)cc1 ZINC000349922608 355528746 /nfs/dbraw/zinc/52/87/46/355528746.db2.gz RLIHCHNXWAJTMH-SNVBAGLBSA-N 1 2 245.326 2.503 20 0 BFADLO Cc1ccc(Cc2noc(C[C@@H]3C[C@H]3C)n2)c[nH+]1 ZINC000350409622 355698421 /nfs/dbraw/zinc/69/84/21/355698421.db2.gz DKRIAKCYWQOJHX-SKDRFNHKSA-N 1 2 243.310 2.562 20 0 BFADLO COc1c(C)cccc1C[NH2+]Cc1ncc(C)o1 ZINC000639312824 355684304 /nfs/dbraw/zinc/68/43/04/355684304.db2.gz NRECECFQEODITI-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1ncc([C@H](C)[N@@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000639313283 355685573 /nfs/dbraw/zinc/68/55/73/355685573.db2.gz PIKCWPJHOHXTKZ-JQWIXIFHSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ncc([C@H](C)[N@H+]2CCC[C@H](F)C2)c(C)n1 ZINC000639313283 355685576 /nfs/dbraw/zinc/68/55/76/355685576.db2.gz PIKCWPJHOHXTKZ-JQWIXIFHSA-N 1 2 237.322 2.588 20 0 BFADLO Cc1ccc2nc(C[N@@H+]3CCC[C@H]3CF)cn2c1 ZINC000335894258 355688360 /nfs/dbraw/zinc/68/83/60/355688360.db2.gz RMMSSDSLOOIRSZ-ZDUSSCGKSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2nc(C[N@H+]3CCC[C@H]3CF)cn2c1 ZINC000335894258 355688365 /nfs/dbraw/zinc/68/83/65/355688365.db2.gz RMMSSDSLOOIRSZ-ZDUSSCGKSA-N 1 2 247.317 2.577 20 0 BFADLO CCn1ccnc1C[NH+]1CC(c2ccccc2)C1 ZINC000639361908 355816132 /nfs/dbraw/zinc/81/61/32/355816132.db2.gz YCKIJBRYIDPCEI-UHFFFAOYSA-N 1 2 241.338 2.502 20 0 BFADLO CN(C)c1c[nH+]cc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000639362712 355818137 /nfs/dbraw/zinc/81/81/37/355818137.db2.gz JHEUXQQMKOYZLK-NSHDSACASA-N 1 2 249.358 2.517 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1ncc(C)o1 ZINC000608494901 355820617 /nfs/dbraw/zinc/82/06/17/355820617.db2.gz WGLBNZQZUSYSBF-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1ncc(C)o1 ZINC000608494901 355820620 /nfs/dbraw/zinc/82/06/20/355820620.db2.gz WGLBNZQZUSYSBF-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO Cc1cc(CNc2c[nH+]cc(N(C)C)c2)sn1 ZINC000639364923 355837353 /nfs/dbraw/zinc/83/73/53/355837353.db2.gz KHNFBLRHSFGZDJ-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@H]1CC1(F)F ZINC000639365806 355839498 /nfs/dbraw/zinc/83/94/98/355839498.db2.gz ROENVZXUQOKLPI-LDYMZIIASA-N 1 2 241.285 2.603 20 0 BFADLO CC1([NH2+]Cc2cccc(Cl)c2Cl)COC1 ZINC000639381820 355923271 /nfs/dbraw/zinc/92/32/71/355923271.db2.gz IPTLPLJZTNKLTI-UHFFFAOYSA-N 1 2 246.137 2.872 20 0 BFADLO CC1(C)C[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000639392970 356062334 /nfs/dbraw/zinc/06/23/34/356062334.db2.gz DDXPGXRZECILIQ-UHFFFAOYSA-N 1 2 234.274 2.809 20 0 BFADLO CC1(F)CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000639389478 356015967 /nfs/dbraw/zinc/01/59/67/356015967.db2.gz XXEAMFNXKIOVPT-UHFFFAOYSA-N 1 2 247.264 2.602 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2c(C)cccc2C)o1 ZINC000351590979 356024017 /nfs/dbraw/zinc/02/40/17/356024017.db2.gz ADWPCTGBNMUCJA-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2c(C)cccc2C)n1 ZINC000351591073 356024423 /nfs/dbraw/zinc/02/44/23/356024423.db2.gz BGHQQKARGKNVSK-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@]1(F)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000335915941 356155539 /nfs/dbraw/zinc/15/55/39/356155539.db2.gz WCANPLWSHSNDEN-LBPRGKRZSA-N 1 2 219.263 2.501 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C[C@@H]3C[C@H]3C)cc2[nH+]1 ZINC000352144601 134082153 /nfs/dbraw/zinc/08/21/53/134082153.db2.gz ALLUATIVLFFZMI-SCZZXKLOSA-N 1 2 243.310 2.856 20 0 BFADLO CC[N@H+](CC(C)=O)Cc1ccc(Cl)s1 ZINC000639433081 356211776 /nfs/dbraw/zinc/21/17/76/356211776.db2.gz DMKSMKQJRMAOIA-UHFFFAOYSA-N 1 2 231.748 2.812 20 0 BFADLO CC[N@@H+](CC(C)=O)Cc1ccc(Cl)s1 ZINC000639433081 356211780 /nfs/dbraw/zinc/21/17/80/356211780.db2.gz DMKSMKQJRMAOIA-UHFFFAOYSA-N 1 2 231.748 2.812 20 0 BFADLO CCCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCC1 ZINC000332039353 356206637 /nfs/dbraw/zinc/20/66/37/356206637.db2.gz XDNOZPRWZDSICH-GFCCVEGCSA-N 1 2 249.358 2.807 20 0 BFADLO COC[C@H](Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000087481813 491089071 /nfs/dbraw/zinc/08/90/71/491089071.db2.gz JEQZEJJTLBUKLC-ZDUSSCGKSA-N 1 2 220.316 2.535 20 0 BFADLO CCC(F)(F)C[N@H+](CCOC)CC(C)C ZINC000639453305 356237175 /nfs/dbraw/zinc/23/71/75/356237175.db2.gz WZXHWSMREKMTFM-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCC(F)(F)C[N@@H+](CCOC)CC(C)C ZINC000639453305 356237176 /nfs/dbraw/zinc/23/71/76/356237176.db2.gz WZXHWSMREKMTFM-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000639454930 356240017 /nfs/dbraw/zinc/24/00/17/356240017.db2.gz MHWKQGALTPRPOU-SNVBAGLBSA-N 1 2 243.301 2.634 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000639454930 356240019 /nfs/dbraw/zinc/24/00/19/356240019.db2.gz MHWKQGALTPRPOU-SNVBAGLBSA-N 1 2 243.301 2.634 20 0 BFADLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(N)=O ZINC000336134790 134095499 /nfs/dbraw/zinc/09/54/99/134095499.db2.gz ZHQKDUVSKNZTFI-IUCAKERBSA-N 1 2 236.290 2.669 20 0 BFADLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(N)=O ZINC000336134790 134095500 /nfs/dbraw/zinc/09/55/00/134095500.db2.gz ZHQKDUVSKNZTFI-IUCAKERBSA-N 1 2 236.290 2.669 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C)c[nH+]1 ZINC000547540611 356366115 /nfs/dbraw/zinc/36/61/15/356366115.db2.gz AGUDOUBLWDGPDI-WFASDCNBSA-N 1 2 246.354 2.741 20 0 BFADLO CN(c1cccc[nH+]1)C1CC(OC(C)(C)C)C1 ZINC000420632113 192251892 /nfs/dbraw/zinc/25/18/92/192251892.db2.gz WIUIEZBVDZRYKS-UHFFFAOYSA-N 1 2 234.343 2.864 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1=C(C)CCC1 ZINC000336160670 134111165 /nfs/dbraw/zinc/11/11/65/134111165.db2.gz UEHHBTRNBQZEBS-UHFFFAOYSA-N 1 2 230.311 2.505 20 0 BFADLO FC1=CCC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639559393 356465400 /nfs/dbraw/zinc/46/54/00/356465400.db2.gz UHFGTUTUPRBXNP-UHFFFAOYSA-N 1 2 247.313 2.818 20 0 BFADLO FC1=CCC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639559393 356465405 /nfs/dbraw/zinc/46/54/05/356465405.db2.gz UHFGTUTUPRBXNP-UHFFFAOYSA-N 1 2 247.313 2.818 20 0 BFADLO CC[C@@H](C)CNc1cc[nH+]c2ccncc12 ZINC000420649516 192255595 /nfs/dbraw/zinc/25/55/95/192255595.db2.gz GEYJLOJTDJWOJJ-SNVBAGLBSA-N 1 2 215.300 2.510 20 0 BFADLO Cc1cc(N(C)CCC(C)C)c(C#N)c[nH+]1 ZINC000399374220 356477006 /nfs/dbraw/zinc/47/70/06/356477006.db2.gz ATFNJTZUBDNHPX-UHFFFAOYSA-N 1 2 217.316 2.744 20 0 BFADLO CC[C@@H](C)CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420860823 192264285 /nfs/dbraw/zinc/26/42/85/192264285.db2.gz NPWNLNSNNIRBMV-SNVBAGLBSA-N 1 2 249.358 2.544 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](CCOC)c1ccco1 ZINC000639580318 356500806 /nfs/dbraw/zinc/50/08/06/356500806.db2.gz PBMKJWHAUDPEAX-SNVBAGLBSA-N 1 2 247.285 2.992 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000639585697 356509111 /nfs/dbraw/zinc/50/91/11/356509111.db2.gz PTWMDGZMPGQZJK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO CCC(F)(F)C[N@H+]1CCOCC2(CCC2)C1 ZINC000639585697 356509113 /nfs/dbraw/zinc/50/91/13/356509113.db2.gz PTWMDGZMPGQZJK-UHFFFAOYSA-N 1 2 233.302 2.534 20 0 BFADLO CCc1nc(C[N@H+]2C[C@H](C)CC(C)(C)C2)no1 ZINC000336176354 134117161 /nfs/dbraw/zinc/11/71/61/134117161.db2.gz GLJLTPYPZWBFIN-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO CCOC1CC([N@H+](C)CC(F)(F)CC)C1 ZINC000639648790 356560947 /nfs/dbraw/zinc/56/09/47/356560947.db2.gz PFTGGUYDGLDGSV-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CCOC1CC([N@@H+](C)CC(F)(F)CC)C1 ZINC000639648790 356560953 /nfs/dbraw/zinc/56/09/53/356560953.db2.gz PFTGGUYDGLDGSV-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)[C@H]2CC2(C)C)nn1C ZINC000421348838 192319716 /nfs/dbraw/zinc/31/97/16/192319716.db2.gz BUXMNKHGXCTIMR-JTQLQIEISA-N 1 2 241.766 2.612 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)[C@H]2CC2(C)C)nn1C ZINC000421348838 192319718 /nfs/dbraw/zinc/31/97/18/192319718.db2.gz BUXMNKHGXCTIMR-JTQLQIEISA-N 1 2 241.766 2.612 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@@H]1CC ZINC000449893510 202049898 /nfs/dbraw/zinc/04/98/98/202049898.db2.gz YCUDERSTKCXCKE-WCQYABFASA-N 1 2 246.354 2.831 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000639666495 356580960 /nfs/dbraw/zinc/58/09/60/356580960.db2.gz STVSQCBSBSBLLB-JTQLQIEISA-N 1 2 235.343 2.859 20 0 BFADLO CCC(F)(F)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000639666495 356580966 /nfs/dbraw/zinc/58/09/66/356580966.db2.gz STVSQCBSBSBLLB-JTQLQIEISA-N 1 2 235.343 2.859 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639690150 356599325 /nfs/dbraw/zinc/59/93/25/356599325.db2.gz BYFQLZIKSJMFRS-NSHDSACASA-N 1 2 226.270 2.526 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639690150 356599327 /nfs/dbraw/zinc/59/93/27/356599327.db2.gz BYFQLZIKSJMFRS-NSHDSACASA-N 1 2 226.270 2.526 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639690149 356599613 /nfs/dbraw/zinc/59/96/13/356599613.db2.gz BYFQLZIKSJMFRS-LLVKDONJSA-N 1 2 226.270 2.526 20 0 BFADLO FC(F)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639690149 356599615 /nfs/dbraw/zinc/59/96/15/356599615.db2.gz BYFQLZIKSJMFRS-LLVKDONJSA-N 1 2 226.270 2.526 20 0 BFADLO CC1(C)CO[C@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000639719749 356620462 /nfs/dbraw/zinc/62/04/62/356620462.db2.gz OIPJSASXWYBCPP-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO CC1(C)CO[C@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000639719749 356620465 /nfs/dbraw/zinc/62/04/65/356620465.db2.gz OIPJSASXWYBCPP-JTQLQIEISA-N 1 2 233.302 2.533 20 0 BFADLO CC1(C)CO[C@@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000639719750 356620519 /nfs/dbraw/zinc/62/05/19/356620519.db2.gz OIPJSASXWYBCPP-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO CC1(C)CO[C@@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000639719750 356620522 /nfs/dbraw/zinc/62/05/22/356620522.db2.gz OIPJSASXWYBCPP-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccsc2)o1 ZINC000152948527 538464611 /nfs/dbraw/zinc/46/46/11/538464611.db2.gz GWLZSFFHNXDGQE-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccsc2)o1 ZINC000152948527 538464614 /nfs/dbraw/zinc/46/46/14/538464614.db2.gz GWLZSFFHNXDGQE-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO CCCN(C)c1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450290379 202122064 /nfs/dbraw/zinc/12/20/64/202122064.db2.gz QTHGNZDFLPKGAV-UHFFFAOYSA-N 1 2 240.310 2.957 20 0 BFADLO CCC1CCC(c2noc(C[NH+](C)C)n2)CC1 ZINC000350650731 366318369 /nfs/dbraw/zinc/31/83/69/366318369.db2.gz QMXSRDOGTNMBGZ-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ncsc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389480742 356687570 /nfs/dbraw/zinc/68/75/70/356687570.db2.gz UZOHWIAGRPGZAE-ZETCQYMHSA-N 1 2 220.288 2.585 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccn1 ZINC000389481607 356687804 /nfs/dbraw/zinc/68/78/04/356687804.db2.gz VVBOCCXMLJCDLB-IUCAKERBSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@@H]([NH2+]Cc1ccsc1)C(C)(F)F ZINC000389482138 356688669 /nfs/dbraw/zinc/68/86/69/356688669.db2.gz WQKRCXNDSDIEHL-SSDOTTSWSA-N 1 2 205.273 2.881 20 0 BFADLO Cc1csc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778768 356722652 /nfs/dbraw/zinc/72/26/52/356722652.db2.gz TZXVDWRYMFQWRB-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1csc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)n1 ZINC000639778768 356722655 /nfs/dbraw/zinc/72/26/55/356722655.db2.gz TZXVDWRYMFQWRB-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO c1n[nH]nc1C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000450443137 202168405 /nfs/dbraw/zinc/16/84/05/202168405.db2.gz ZPTBPVJIXCKDEE-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO c1n[nH]nc1C[N@H+]1CCCC2(C1)CCCCCC2 ZINC000450443137 202168409 /nfs/dbraw/zinc/16/84/09/202168409.db2.gz ZPTBPVJIXCKDEE-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000168297208 134167199 /nfs/dbraw/zinc/16/71/99/134167199.db2.gz GBKMZAAVAKJBHX-QJPTWQEYSA-N 1 2 249.358 2.863 20 0 BFADLO COC(=O)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000180093028 366373441 /nfs/dbraw/zinc/37/34/41/366373441.db2.gz CIQZCCMYNIHQFE-CQSZACIVSA-N 1 2 249.354 2.845 20 0 BFADLO Cc1ccc(NC(=O)NCC(C)(C)F)c(C)[nH+]1 ZINC000639797061 356755124 /nfs/dbraw/zinc/75/51/24/356755124.db2.gz ZMKDNRJGERTRKW-UHFFFAOYSA-N 1 2 239.294 2.568 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000639826161 356808767 /nfs/dbraw/zinc/80/87/67/356808767.db2.gz CRAURSJOEJWBCA-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000639826161 356808771 /nfs/dbraw/zinc/80/87/71/356808771.db2.gz CRAURSJOEJWBCA-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)c1nc(NC2(C)CCC2)cc[nH+]1 ZINC000166235336 538689682 /nfs/dbraw/zinc/68/96/82/538689682.db2.gz CPTKFWRIFSGWKZ-UHFFFAOYSA-N 1 2 205.305 2.955 20 0 BFADLO COc1cccc2c1cc[nH+]c2NCC[C@@H](C)F ZINC000450541040 202191978 /nfs/dbraw/zinc/19/19/78/202191978.db2.gz BVWQNTOEUZHUNH-SNVBAGLBSA-N 1 2 248.301 2.825 20 0 BFADLO Nc1nc(NC2CCCCC2)[nH+]c2ccccc12 ZINC000041146500 356858284 /nfs/dbraw/zinc/85/82/84/356858284.db2.gz QVAITUOAMBZREJ-UHFFFAOYSA-N 1 2 242.326 2.957 20 0 BFADLO CC[N@H+](Cc1cccc(F)c1)Cc1ncccn1 ZINC000361693150 356936399 /nfs/dbraw/zinc/93/63/99/356936399.db2.gz QFRGWHBMLOWHAW-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cccc(F)c1)Cc1ncccn1 ZINC000361693150 356936405 /nfs/dbraw/zinc/93/64/05/356936405.db2.gz QFRGWHBMLOWHAW-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CCN(c1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CCOC1 ZINC000359968175 356899149 /nfs/dbraw/zinc/89/91/49/356899149.db2.gz OEZDPHCWQOUCQF-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CCc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000583684655 356901108 /nfs/dbraw/zinc/90/11/08/356901108.db2.gz DOZMXJIPCHFCQI-UHFFFAOYSA-N 1 2 246.354 2.529 20 0 BFADLO CSCn1c[nH+]c2cc(C)c(C)cc21 ZINC000000334651 356952475 /nfs/dbraw/zinc/95/24/75/356952475.db2.gz YRDDXFYRJBZASD-UHFFFAOYSA-N 1 2 206.314 2.974 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1nccs1 ZINC000389639432 357007951 /nfs/dbraw/zinc/00/79/51/357007951.db2.gz PUFCJVZOWWGADI-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO CC1=C[C@@H](C)C[C@H](CNc2c[nH]c[nH+]2)C1 ZINC000389711167 357018048 /nfs/dbraw/zinc/01/80/48/357018048.db2.gz MJIJCKJCAKJEHW-KOLCDFICSA-N 1 2 205.305 2.814 20 0 BFADLO C[C@H](CNc1c[nH]c[nH+]1)c1ccc(F)cc1 ZINC000390639102 357109393 /nfs/dbraw/zinc/10/93/93/357109393.db2.gz MLESPBZUIVDGSV-SECBINFHSA-N 1 2 219.263 2.764 20 0 BFADLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(F)F ZINC000156941407 538803291 /nfs/dbraw/zinc/80/32/91/538803291.db2.gz FXKAYCYBABMMJF-SECBINFHSA-N 1 2 229.270 2.520 20 0 BFADLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(F)F ZINC000156941407 538803297 /nfs/dbraw/zinc/80/32/97/538803297.db2.gz FXKAYCYBABMMJF-SECBINFHSA-N 1 2 229.270 2.520 20 0 BFADLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(F)F ZINC000156941262 538803694 /nfs/dbraw/zinc/80/36/94/538803694.db2.gz FXKAYCYBABMMJF-VIFPVBQESA-N 1 2 229.270 2.520 20 0 BFADLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(F)F ZINC000156941262 538803701 /nfs/dbraw/zinc/80/37/01/538803701.db2.gz FXKAYCYBABMMJF-VIFPVBQESA-N 1 2 229.270 2.520 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC1CCC1 ZINC000639900689 357285492 /nfs/dbraw/zinc/28/54/92/357285492.db2.gz VSHWGXBQTCHAPT-NSHDSACASA-N 1 2 247.342 2.512 20 0 BFADLO CCc1nc(C(C)(C)[NH2+][C@H]2C=CCCC2)no1 ZINC000582465210 357289410 /nfs/dbraw/zinc/28/94/10/357289410.db2.gz FUERBPJIDGGKMD-JTQLQIEISA-N 1 2 235.331 2.565 20 0 BFADLO c1[nH]cc(N[C@H]2CCC[C@H](C3CC3)C2)[nH+]1 ZINC000393621724 357290881 /nfs/dbraw/zinc/29/08/81/357290881.db2.gz IPXOAAQLALXOKD-QWRGUYRKSA-N 1 2 205.305 2.790 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccnc(C)c2)C1 ZINC000628422380 357245401 /nfs/dbraw/zinc/24/54/01/357245401.db2.gz AQVGJWFHXMNVFJ-UHFFFAOYSA-N 1 2 248.370 2.779 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CC3(C2)CCCO3)o1 ZINC000628426964 357257626 /nfs/dbraw/zinc/25/76/26/357257626.db2.gz XJDTXKWSIZDDCV-WCQYABFASA-N 1 2 247.338 2.768 20 0 BFADLO Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC000393205172 357279524 /nfs/dbraw/zinc/27/95/24/357279524.db2.gz FMWXNBSORLXPPY-CYZMBNFOSA-N 1 2 202.301 2.991 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)C(=O)OC)c1cccs1 ZINC000168330141 134197861 /nfs/dbraw/zinc/19/78/61/134197861.db2.gz GGRQZLAMSPBVCL-ZJUUUORDSA-N 1 2 241.356 2.740 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CC(C)(C)OC1(C)C ZINC000583035958 357465481 /nfs/dbraw/zinc/46/54/81/357465481.db2.gz ZIWWBMGHIXPQPK-LLVKDONJSA-N 1 2 249.358 2.851 20 0 BFADLO Cc1coc(SCc2cn3ccccc3[nH+]2)n1 ZINC000188350124 357528135 /nfs/dbraw/zinc/52/81/35/357528135.db2.gz OOYCFXWRSWAPTI-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC[C@H](C)O1 ZINC000188591483 357541375 /nfs/dbraw/zinc/54/13/75/357541375.db2.gz NJUJKNGEVCZFKH-UWVGGRQHSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[C@H](C)O1 ZINC000188591483 357541378 /nfs/dbraw/zinc/54/13/78/357541378.db2.gz NJUJKNGEVCZFKH-UWVGGRQHSA-N 1 2 221.291 2.529 20 0 BFADLO CO[C@@H]1CC[C@@H](Nc2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000191010185 357742987 /nfs/dbraw/zinc/74/29/87/357742987.db2.gz VKLSXPIIGOQXAH-VXGBXAGGSA-N 1 2 247.342 2.642 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CC1(C)C ZINC000234950079 325243411 /nfs/dbraw/zinc/24/34/11/325243411.db2.gz PIRGLUMPWBJYBS-SECBINFHSA-N 1 2 206.289 2.548 20 0 BFADLO Fc1c[nH+]ccc1NCc1ccc2c(c1)CCO2 ZINC000192150239 357824288 /nfs/dbraw/zinc/82/42/88/357824288.db2.gz UMRUSGAECQKAHL-UHFFFAOYSA-N 1 2 244.269 2.768 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1cccc(F)c1F ZINC000192162800 357824991 /nfs/dbraw/zinc/82/49/91/357824991.db2.gz UBGFYNXGPBVNQL-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO Fc1c[nH+]ccc1NCc1cccc2c1OCO2 ZINC000192150821 357825173 /nfs/dbraw/zinc/82/51/73/357825173.db2.gz ZFNOXMQABZAPLE-UHFFFAOYSA-N 1 2 246.241 2.562 20 0 BFADLO C[C@H]1CCC[C@@H](CC[N@H+](CCO)CC(F)F)C1 ZINC000193397882 357880944 /nfs/dbraw/zinc/88/09/44/357880944.db2.gz MMBOUNZVWCTEDG-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO C[C@H]1CCC[C@@H](CC[N@@H+](CCO)CC(F)F)C1 ZINC000193397882 357880948 /nfs/dbraw/zinc/88/09/48/357880948.db2.gz MMBOUNZVWCTEDG-RYUDHWBXSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCc1ccsc1 ZINC000639971132 358019837 /nfs/dbraw/zinc/01/98/37/358019837.db2.gz NQJAKLXLWPNZTK-UHFFFAOYSA-N 1 2 249.383 2.844 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCc1ccsc1 ZINC000639971132 358019840 /nfs/dbraw/zinc/01/98/40/358019840.db2.gz NQJAKLXLWPNZTK-UHFFFAOYSA-N 1 2 249.383 2.844 20 0 BFADLO C[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103966354 358156122 /nfs/dbraw/zinc/15/61/22/358156122.db2.gz HAJXLHAPEWOXHZ-CABZTGNLSA-N 1 2 241.294 2.671 20 0 BFADLO COc1cc[nH+]cc1CN(C)c1ccc(F)cc1 ZINC000584738287 358165135 /nfs/dbraw/zinc/16/51/35/358165135.db2.gz BPBDWXCVQJAAOB-UHFFFAOYSA-N 1 2 246.285 2.866 20 0 BFADLO CCC[N@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000171679679 134259232 /nfs/dbraw/zinc/25/92/32/134259232.db2.gz UIXVYJBCPZNIFJ-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CCC[N@@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000171679679 134259233 /nfs/dbraw/zinc/25/92/33/134259233.db2.gz UIXVYJBCPZNIFJ-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCC[C@H]1CC)c1[nH]cc[nH+]1 ZINC000450672765 202233212 /nfs/dbraw/zinc/23/32/12/202233212.db2.gz LOGNCROCQPELMX-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000041015499 358241440 /nfs/dbraw/zinc/24/14/40/358241440.db2.gz CVRKVLBLHRXGBM-LLVKDONJSA-N 1 2 245.326 2.578 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)s1 ZINC000041062423 358242061 /nfs/dbraw/zinc/24/20/61/358242061.db2.gz FHBSEMDZEZCWMI-VIFPVBQESA-N 1 2 235.356 2.884 20 0 BFADLO CC/C=C/CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000450697362 202237955 /nfs/dbraw/zinc/23/79/55/202237955.db2.gz UXDNXRVLRWCHIN-HWKANZROSA-N 1 2 246.358 2.845 20 0 BFADLO CC/C=C/CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000450697362 202237959 /nfs/dbraw/zinc/23/79/59/202237959.db2.gz UXDNXRVLRWCHIN-HWKANZROSA-N 1 2 246.358 2.845 20 0 BFADLO CSCCCc1[nH]c2ccccc2[nH+]1 ZINC000223165640 358220938 /nfs/dbraw/zinc/22/09/38/358220938.db2.gz JABDNTRFMSWOBY-UHFFFAOYSA-N 1 2 206.314 2.859 20 0 BFADLO CCc1ccnc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000180184941 366392454 /nfs/dbraw/zinc/39/24/54/366392454.db2.gz FBJNQYKWTUALRZ-UHFFFAOYSA-N 1 2 241.294 2.600 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)no1 ZINC000044692227 358392464 /nfs/dbraw/zinc/39/24/64/358392464.db2.gz MPVRDKUCNZHBFF-ZANVPECISA-N 1 2 246.310 2.989 20 0 BFADLO CCc1cnc(CNc2[nH+]cccc2OC)s1 ZINC000230147502 358394686 /nfs/dbraw/zinc/39/46/86/358394686.db2.gz ZOXQQGITDSZUFF-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO CS[C@@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351241137 366457460 /nfs/dbraw/zinc/45/74/60/366457460.db2.gz YJLSJABGIODFNW-VIFPVBQESA-N 1 2 249.339 2.788 20 0 BFADLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2ccccc2o1 ZINC000049235887 358677080 /nfs/dbraw/zinc/67/70/80/358677080.db2.gz AGXVABGPAQEHPB-JTQLQIEISA-N 1 2 242.282 2.525 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2cccnc21 ZINC000049856712 358704627 /nfs/dbraw/zinc/70/46/27/358704627.db2.gz UCDDYLZLOWKJLE-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CC[C@@H](C)C[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000133604461 358761515 /nfs/dbraw/zinc/76/15/15/358761515.db2.gz BIEKEJNWKQCLOZ-LLVKDONJSA-N 1 2 230.315 2.725 20 0 BFADLO COC[C@@H](Nc1ccc(SC)c[nH+]1)C1CC1 ZINC000134310750 358786502 /nfs/dbraw/zinc/78/65/02/358786502.db2.gz FITCJJUJJSYZKJ-LLVKDONJSA-N 1 2 238.356 2.640 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1 ZINC000054459324 358863073 /nfs/dbraw/zinc/86/30/73/358863073.db2.gz BUQJGYDWYVZFKP-LBPRGKRZSA-N 1 2 241.338 2.890 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccc(Cl)cc1 ZINC000054459549 358863083 /nfs/dbraw/zinc/86/30/83/358863083.db2.gz YYEQUZJJDWIOBV-SNVBAGLBSA-N 1 2 247.729 2.981 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1 ZINC000054459323 358863096 /nfs/dbraw/zinc/86/30/96/358863096.db2.gz BUQJGYDWYVZFKP-GFCCVEGCSA-N 1 2 241.338 2.890 20 0 BFADLO C[C@H](Cc1nc(C2CCCC2)no1)n1cc[nH+]c1 ZINC000351404012 366521522 /nfs/dbraw/zinc/52/15/22/366521522.db2.gz LAHLIVVHQGJAHA-SNVBAGLBSA-N 1 2 246.314 2.727 20 0 BFADLO Cc1nc(N[C@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000054936360 358879846 /nfs/dbraw/zinc/87/98/46/358879846.db2.gz KFGIFRUJUCUMKJ-STQMWFEESA-N 1 2 225.295 2.753 20 0 BFADLO C[C@@H](Cc1nc(C2CCCC2)no1)n1cc[nH+]c1 ZINC000351404011 366521787 /nfs/dbraw/zinc/52/17/87/366521787.db2.gz LAHLIVVHQGJAHA-JTQLQIEISA-N 1 2 246.314 2.727 20 0 BFADLO Fc1cccc(-c2cnc(Cn3cc[nH+]c3)o2)c1 ZINC000177644197 134300856 /nfs/dbraw/zinc/30/08/56/134300856.db2.gz NMJUQZORZHHVAY-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO CC[C@H](NC(=O)c1ccccc1C)c1[nH]cc[nH+]1 ZINC000140702322 358924815 /nfs/dbraw/zinc/92/48/15/358924815.db2.gz ZILSSNMUEBAEJY-LBPRGKRZSA-N 1 2 243.310 2.599 20 0 BFADLO CC[C@@H](NC(=O)c1sccc1C)c1[nH]cc[nH+]1 ZINC000140700794 358924819 /nfs/dbraw/zinc/92/48/19/358924819.db2.gz JFEZVUZSWJKJNQ-SECBINFHSA-N 1 2 249.339 2.661 20 0 BFADLO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1OC2CCC1CC2 ZINC000640231353 358945111 /nfs/dbraw/zinc/94/51/11/358945111.db2.gz BSLMDVXWPKZMQT-XWCWTXAISA-N 1 2 207.317 2.591 20 0 BFADLO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1OC2CCC1CC2 ZINC000640231353 358945115 /nfs/dbraw/zinc/94/51/15/358945115.db2.gz BSLMDVXWPKZMQT-XWCWTXAISA-N 1 2 207.317 2.591 20 0 BFADLO C[C@H](CF)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000308845942 491138871 /nfs/dbraw/zinc/13/88/71/491138871.db2.gz MFRRMOVUJYGKSO-MRVPVSSYSA-N 1 2 211.284 2.544 20 0 BFADLO Cn1cc[nH+]c1CNc1nc2ccccc2s1 ZINC000071140353 359071868 /nfs/dbraw/zinc/07/18/68/359071868.db2.gz RKMQCQPGNYTZQF-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO COc1ccccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000072672339 359088720 /nfs/dbraw/zinc/08/87/20/359088720.db2.gz JLQUJMRPRXUENH-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO Cc1cc(NC(=O)c2ccncc2Cl)cc[nH+]1 ZINC000073093417 359095777 /nfs/dbraw/zinc/09/57/77/359095777.db2.gz NMEVOKLSEJOQFN-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)CC(C)C)ccc2n1C ZINC000074985640 359137557 /nfs/dbraw/zinc/13/75/57/359137557.db2.gz CZCKLBHSSSRASH-UHFFFAOYSA-N 1 2 245.326 2.866 20 0 BFADLO FC(F)C1([NH2+]Cc2ccco2)CCCC1 ZINC000308890680 491139559 /nfs/dbraw/zinc/13/95/59/491139559.db2.gz WQXUSXSZEZBXRL-UHFFFAOYSA-N 1 2 215.243 2.947 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000247700241 359241849 /nfs/dbraw/zinc/24/18/49/359241849.db2.gz XRPQDERNIPORRL-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@H](C)CC[C@H]2C)no1 ZINC000247700241 359241853 /nfs/dbraw/zinc/24/18/53/359241853.db2.gz XRPQDERNIPORRL-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCOC(=O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395670 359358920 /nfs/dbraw/zinc/35/89/20/359358920.db2.gz NRYNRDIXVDWBIG-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1cc(N2CC[C@@H]2C(C)C)nc(C2CC2)[nH+]1 ZINC000450808140 202272827 /nfs/dbraw/zinc/27/28/27/202272827.db2.gz HXGVUGPRPHSMDK-GFCCVEGCSA-N 1 2 231.343 2.897 20 0 BFADLO CCC1(CNc2[nH+]ccc(C)c2Cl)COC1 ZINC000450841340 202282625 /nfs/dbraw/zinc/28/26/25/202282625.db2.gz BRVZTAYDUSBQTD-UHFFFAOYSA-N 1 2 240.734 2.882 20 0 BFADLO C[N@H+](Cc1nnc(C2CC2)s1)[C@H]1CC1(C)C ZINC000450875922 202295334 /nfs/dbraw/zinc/29/53/34/202295334.db2.gz OKKDDLUVGDHWRB-VIFPVBQESA-N 1 2 237.372 2.646 20 0 BFADLO C[N@@H+](Cc1nnc(C2CC2)s1)[C@H]1CC1(C)C ZINC000450875922 202295338 /nfs/dbraw/zinc/29/53/38/202295338.db2.gz OKKDDLUVGDHWRB-VIFPVBQESA-N 1 2 237.372 2.646 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451109592 202352555 /nfs/dbraw/zinc/35/25/55/202352555.db2.gz BDAPGSYPDWLQOK-ZWNOBZJWSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451109592 202352558 /nfs/dbraw/zinc/35/25/58/202352558.db2.gz BDAPGSYPDWLQOK-ZWNOBZJWSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451109590 202353979 /nfs/dbraw/zinc/35/39/79/202353979.db2.gz BDAPGSYPDWLQOK-GXFFZTMASA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451109590 202353982 /nfs/dbraw/zinc/35/39/82/202353982.db2.gz BDAPGSYPDWLQOK-GXFFZTMASA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)C(F)F ZINC000451173938 202368950 /nfs/dbraw/zinc/36/89/50/202368950.db2.gz BZHYIBSBBVMMAE-GMSGAONNSA-N 1 2 232.249 2.915 20 0 BFADLO CCCC[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451116313 202355679 /nfs/dbraw/zinc/35/56/79/202355679.db2.gz RFPQEXMNWJWZSX-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO CCCC[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451116313 202355681 /nfs/dbraw/zinc/35/56/81/202355681.db2.gz RFPQEXMNWJWZSX-YPMHNXCESA-N 1 2 245.338 2.542 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1Cl ZINC000451197836 202378583 /nfs/dbraw/zinc/37/85/83/202378583.db2.gz OKZDLHBMVDIOGS-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1Cl ZINC000451197836 202378587 /nfs/dbraw/zinc/37/85/87/202378587.db2.gz OKZDLHBMVDIOGS-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO CC[N@H+](Cc1nc2ccccc2s1)C1COC1 ZINC000451289301 202396175 /nfs/dbraw/zinc/39/61/75/202396175.db2.gz VOTJSQBPGRLQKS-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO CC[N@@H+](Cc1nc2ccccc2s1)C1COC1 ZINC000451289301 202396177 /nfs/dbraw/zinc/39/61/77/202396177.db2.gz VOTJSQBPGRLQKS-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccon2)o1 ZINC000578593796 366602552 /nfs/dbraw/zinc/60/25/52/366602552.db2.gz SRTGFSWORFRBBL-SECBINFHSA-N 1 2 249.314 2.774 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CC[C@@H]1C1CC1 ZINC000309166670 491146032 /nfs/dbraw/zinc/14/60/32/491146032.db2.gz JHCHFYRDGNALJP-YPMHNXCESA-N 1 2 202.301 2.991 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CC[C@H]1C1CC1 ZINC000309166669 491146039 /nfs/dbraw/zinc/14/60/39/491146039.db2.gz JHCHFYRDGNALJP-WCQYABFASA-N 1 2 202.301 2.991 20 0 BFADLO Cc1cc(F)ccc1CCNc1cc[nH+]c(C)n1 ZINC000088521173 359964074 /nfs/dbraw/zinc/96/40/74/359964074.db2.gz GQSIKVPMZDWRBB-UHFFFAOYSA-N 1 2 245.301 2.887 20 0 BFADLO Cc1cc(C[NH2+]Cc2cocn2)c(C)s1 ZINC000309225463 491146318 /nfs/dbraw/zinc/14/63/18/491146318.db2.gz VXSXPSPHSPLSSE-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CC[C@H](C)C[N@H+](CCCO)c1ccccc1 ZINC000088546779 359966320 /nfs/dbraw/zinc/96/63/20/359966320.db2.gz CRICTTVLWMPOTL-ZDUSSCGKSA-N 1 2 221.344 2.922 20 0 BFADLO CC[C@H](C)C[N@@H+](CCCO)c1ccccc1 ZINC000088546779 359966323 /nfs/dbraw/zinc/96/63/23/359966323.db2.gz CRICTTVLWMPOTL-ZDUSSCGKSA-N 1 2 221.344 2.922 20 0 BFADLO CCOc1cccc(NCc2c[nH+]cn2CC)c1 ZINC000090172413 360060916 /nfs/dbraw/zinc/06/09/16/360060916.db2.gz YHAUTROZAJOBAA-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(C)cc1F ZINC000090170120 360061191 /nfs/dbraw/zinc/06/11/91/360061191.db2.gz OFPMOGMDFJRCBS-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CC[C@H]1COCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000091980149 360139755 /nfs/dbraw/zinc/13/97/55/360139755.db2.gz JYJARASIJZKEHH-ZDUSSCGKSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@H]1COCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000091980149 360139759 /nfs/dbraw/zinc/13/97/59/360139759.db2.gz JYJARASIJZKEHH-ZDUSSCGKSA-N 1 2 241.281 2.576 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000092017129 360145779 /nfs/dbraw/zinc/14/57/79/360145779.db2.gz HOIPEJSXYMFQRS-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000092017129 360145780 /nfs/dbraw/zinc/14/57/80/360145780.db2.gz HOIPEJSXYMFQRS-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@H]1OCC[N@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000093417675 360241049 /nfs/dbraw/zinc/24/10/49/360241049.db2.gz FLHXTPPMEXGPOQ-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1OCC[N@@H+](Cc2cc(F)cc(F)c2)[C@H]1C ZINC000093417675 360241052 /nfs/dbraw/zinc/24/10/52/360241052.db2.gz FLHXTPPMEXGPOQ-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO CCc1cc(NC[C@H]2CCCSC2)nc[nH+]1 ZINC000309439251 491148247 /nfs/dbraw/zinc/14/82/47/491148247.db2.gz IBTGIFJFNNYWSU-SNVBAGLBSA-N 1 2 237.372 2.594 20 0 BFADLO CC(C)(F)C[NH2+]Cc1csc(C2CC2)n1 ZINC000631188892 360335600 /nfs/dbraw/zinc/33/56/00/360335600.db2.gz IAXPZAJQXDFLJL-UHFFFAOYSA-N 1 2 228.336 2.858 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ccc(Br)o1 ZINC000306515521 360342334 /nfs/dbraw/zinc/34/23/34/360342334.db2.gz DMRGQPNJUARLPK-SSDOTTSWSA-N 1 2 230.105 2.636 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ccc(Br)o1 ZINC000306515521 360342338 /nfs/dbraw/zinc/34/23/38/360342338.db2.gz DMRGQPNJUARLPK-SSDOTTSWSA-N 1 2 230.105 2.636 20 0 BFADLO FC(F)(Br)C[NH2+]C1CCCCC1 ZINC000306518546 360345274 /nfs/dbraw/zinc/34/52/74/360345274.db2.gz BHUZJSZZHVWZDM-UHFFFAOYSA-N 1 2 242.107 2.896 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000096593278 360350322 /nfs/dbraw/zinc/35/03/22/360350322.db2.gz HBENKOFQGMLWKP-CHWSQXEVSA-N 1 2 249.354 2.906 20 0 BFADLO CC(C)CC1(C(=O)NCc2c[nH+]c[nH]2)CCCC1 ZINC000094817495 360321443 /nfs/dbraw/zinc/32/14/43/360321443.db2.gz HGXGVNIJUWLCKU-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO CC(C)CC1(C(=O)NCc2c[nH]c[nH+]2)CCCC1 ZINC000094817495 360321445 /nfs/dbraw/zinc/32/14/45/360321445.db2.gz HGXGVNIJUWLCKU-UHFFFAOYSA-N 1 2 249.358 2.632 20 0 BFADLO Cc1nc(N2CC[C@@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000246927062 325581979 /nfs/dbraw/zinc/58/19/79/325581979.db2.gz YSRUIBFKFOEZEW-GHMZBOCLSA-N 1 2 219.332 2.657 20 0 BFADLO COc1cncc(CNc2c[nH+]ccc2C)c1C ZINC000631099054 360391203 /nfs/dbraw/zinc/39/12/03/360391203.db2.gz UKODCCWVIXCUGF-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCC1(C)C[NH+](Cc2ccc(Cl)nc2)C1 ZINC000306563367 360441035 /nfs/dbraw/zinc/44/10/35/360441035.db2.gz VQKYYOWECLZKAZ-UHFFFAOYSA-N 1 2 224.735 2.967 20 0 BFADLO Fc1ccc(C[NH+]2CCC2)c(Br)c1 ZINC000306544984 360413625 /nfs/dbraw/zinc/41/36/25/360413625.db2.gz ZWWZQJOYRRROQH-UHFFFAOYSA-N 1 2 244.107 2.794 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2CC=CCC2)[nH+]1 ZINC000631198096 360739780 /nfs/dbraw/zinc/73/97/80/360739780.db2.gz OUORAHTYSAQCLT-UHFFFAOYSA-N 1 2 242.326 2.848 20 0 BFADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000448959746 200702027 /nfs/dbraw/zinc/70/20/27/200702027.db2.gz AHUDWNZNNCITGO-DGCLKSJQSA-N 1 2 232.327 2.577 20 0 BFADLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000064030363 360891024 /nfs/dbraw/zinc/89/10/24/360891024.db2.gz DNLTXPQHNICKKS-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000064030363 360891028 /nfs/dbraw/zinc/89/10/28/360891028.db2.gz DNLTXPQHNICKKS-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[C@@H]1CCCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431019085 192901822 /nfs/dbraw/zinc/90/18/22/192901822.db2.gz KQONYLCSHRGVHD-SNVBAGLBSA-N 1 2 247.317 2.949 20 0 BFADLO C[C@@H]1C[C@H]1COc1cccc(-n2cc[nH+]c2)c1 ZINC000629357899 361002291 /nfs/dbraw/zinc/00/22/91/361002291.db2.gz JFLFNSCEBLJQSO-NEPJUHHUSA-N 1 2 228.295 2.907 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1(CCF)CC1 ZINC000425596493 200833414 /nfs/dbraw/zinc/83/34/14/200833414.db2.gz NUQZWVDNKFDUEH-UHFFFAOYSA-N 1 2 236.290 2.777 20 0 BFADLO CCn1ccnc1CNc1ccc([NH2+]C)cc1 ZINC000629389572 361036605 /nfs/dbraw/zinc/03/66/05/361036605.db2.gz OEUAHMKOAVNZQJ-UHFFFAOYSA-N 1 2 230.315 2.557 20 0 BFADLO CCc1ccccc1C[NH2+][C@](C)(CC)C(=O)OC ZINC000428292301 201005869 /nfs/dbraw/zinc/00/58/69/201005869.db2.gz YCXDFVWUTLFMDN-OAHLLOKOSA-N 1 2 249.354 2.680 20 0 BFADLO FC(F)(F)C1C[NH+](CCOc2ccccc2)C1 ZINC000579040093 366701093 /nfs/dbraw/zinc/70/10/93/366701093.db2.gz GURIFOHLWOTOEL-UHFFFAOYSA-N 1 2 245.244 2.560 20 0 BFADLO CCc1cccc(C[NH2+][C@@](C)(CC)C(=O)OC)c1 ZINC000428303678 201007055 /nfs/dbraw/zinc/00/70/55/201007055.db2.gz QOPAIAKVOSNVCW-HNNXBMFYSA-N 1 2 249.354 2.680 20 0 BFADLO CC[C@@](C)([NH2+]Cc1c(C)cccc1C)C(=O)OC ZINC000428298288 201007713 /nfs/dbraw/zinc/00/77/13/201007713.db2.gz BUECNEHQNSETHL-OAHLLOKOSA-N 1 2 249.354 2.735 20 0 BFADLO CCc1nc(C)c(C[N@H+](C)Cc2ccoc2)o1 ZINC000428457782 201020500 /nfs/dbraw/zinc/02/05/00/201020500.db2.gz NCBCUPTXSZZXNY-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccoc2)o1 ZINC000428457782 201020503 /nfs/dbraw/zinc/02/05/03/201020503.db2.gz NCBCUPTXSZZXNY-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CC1CCC(CC(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000428900207 201048349 /nfs/dbraw/zinc/04/83/49/201048349.db2.gz DURFQOJHHYDFLF-UHFFFAOYSA-N 1 2 247.342 2.649 20 0 BFADLO CC/C=C\CCSc1nc(N)cc(C)[nH+]1 ZINC000336661034 361330757 /nfs/dbraw/zinc/33/07/57/361330757.db2.gz BYRQOPRZCUSVJW-PLNGDYQASA-N 1 2 223.345 2.646 20 0 BFADLO COc1ncccc1C[N@H+](C)Cc1occc1C ZINC000429374962 201103531 /nfs/dbraw/zinc/10/35/31/201103531.db2.gz XPKGSRJORHNVLS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ncccc1C[N@@H+](C)Cc1occc1C ZINC000429374962 201103534 /nfs/dbraw/zinc/10/35/34/201103534.db2.gz XPKGSRJORHNVLS-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C[C@H](O)[C@H]([NH2+]Cc1ccco1)c1ccccc1F ZINC000579481401 366826312 /nfs/dbraw/zinc/82/63/12/366826312.db2.gz DTLVMQUTMJYMMD-HZMBPMFUSA-N 1 2 249.285 2.630 20 0 BFADLO CCc1cc(N[C@@H]2CCCC2(F)F)nc[nH+]1 ZINC000309957141 491158922 /nfs/dbraw/zinc/15/89/22/491158922.db2.gz IYJWSBQICSBWCO-SECBINFHSA-N 1 2 227.258 2.639 20 0 BFADLO CCC1CCN(c2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000433774174 201193200 /nfs/dbraw/zinc/19/32/00/201193200.db2.gz KELCFNFOPDYKOB-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO CCC[C@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433771632 201193264 /nfs/dbraw/zinc/19/32/64/201193264.db2.gz SCOSRJWBEWQRMK-VIFPVBQESA-N 1 2 232.331 2.891 20 0 BFADLO Cc1cc(-c2ccc(N[C@@H](C)CO)[nH+]c2)cs1 ZINC000629701150 361631597 /nfs/dbraw/zinc/63/15/97/361631597.db2.gz ZMNSDUWLIKDNSF-VIFPVBQESA-N 1 2 248.351 2.911 20 0 BFADLO CCn1nccc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629701930 361632930 /nfs/dbraw/zinc/63/29/30/361632930.db2.gz HAWAIINIURSOKN-UHFFFAOYSA-N 1 2 230.315 2.785 20 0 BFADLO Cc1ccsc1-c1ccc(N[C@@H](C)CO)[nH+]c1 ZINC000629714898 361655885 /nfs/dbraw/zinc/65/58/85/361655885.db2.gz QUMFZEPHPGWQJE-JTQLQIEISA-N 1 2 248.351 2.911 20 0 BFADLO CCCn1nc(C)c(-c2c[nH]c(C)[nH+]2)c1C ZINC000629736333 361673107 /nfs/dbraw/zinc/67/31/07/361673107.db2.gz MZPPTLCDXSCXLP-UHFFFAOYSA-N 1 2 218.304 2.608 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2cocc2C)c[nH+]1 ZINC000629738869 361675550 /nfs/dbraw/zinc/67/55/50/361675550.db2.gz RZAOXHKPFNEWJW-GFCCVEGCSA-N 1 2 246.310 2.833 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000436461860 201326891 /nfs/dbraw/zinc/32/68/91/201326891.db2.gz BBSRLBBNBJOKLP-QWRGUYRKSA-N 1 2 227.311 2.652 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000436461858 201327146 /nfs/dbraw/zinc/32/71/46/201327146.db2.gz BBSRLBBNBJOKLP-GHMZBOCLSA-N 1 2 227.311 2.652 20 0 BFADLO c1[nH+]c2c(cc1NCC[C@H]1CCOC1)CCCC2 ZINC000437788383 201373820 /nfs/dbraw/zinc/37/38/20/201373820.db2.gz SPDXUAAQSWBOIC-LBPRGKRZSA-N 1 2 246.354 2.799 20 0 BFADLO CC1(C[N@H+](CC2CC2)c2ccccc2)COC1 ZINC000437536438 201356012 /nfs/dbraw/zinc/35/60/12/201356012.db2.gz MTPPRENCEAPXCX-UHFFFAOYSA-N 1 2 231.339 2.940 20 0 BFADLO CC1(C[N@@H+](CC2CC2)c2ccccc2)COC1 ZINC000437536438 201356014 /nfs/dbraw/zinc/35/60/14/201356014.db2.gz MTPPRENCEAPXCX-UHFFFAOYSA-N 1 2 231.339 2.940 20 0 BFADLO c1[nH+]c2c(cc1NCC[C@@H]1CCOC1)CCCC2 ZINC000437788382 201373651 /nfs/dbraw/zinc/37/36/51/201373651.db2.gz SPDXUAAQSWBOIC-GFCCVEGCSA-N 1 2 246.354 2.799 20 0 BFADLO FC1C[NH+](CCCCCOc2ccccc2)C1 ZINC000437801867 201374290 /nfs/dbraw/zinc/37/42/90/201374290.db2.gz PZGIKUSQMNDQQX-UHFFFAOYSA-N 1 2 237.318 2.889 20 0 BFADLO CC(C)(C)CCNc1ccc(N2CCCC2)c[nH+]1 ZINC000438086705 201386182 /nfs/dbraw/zinc/38/61/82/201386182.db2.gz ILYVCADNIAVWCQ-UHFFFAOYSA-N 1 2 247.386 2.952 20 0 BFADLO C[C@H]([NH2+]CCF)c1ncc(-c2ccccc2)n1C ZINC000453210945 202707316 /nfs/dbraw/zinc/70/73/16/202707316.db2.gz KFBLIWRECQPEGO-NSHDSACASA-N 1 2 247.317 2.707 20 0 BFADLO CC(C)C[N@H+](CCCO)c1ccccc1 ZINC000264188358 364720281 /nfs/dbraw/zinc/72/02/81/364720281.db2.gz DTWUBEJCRXFGAG-UHFFFAOYSA-N 1 2 207.317 2.531 20 0 BFADLO CC(C)C[N@@H+](CCCO)c1ccccc1 ZINC000264188358 364720287 /nfs/dbraw/zinc/72/02/87/364720287.db2.gz DTWUBEJCRXFGAG-UHFFFAOYSA-N 1 2 207.317 2.531 20 0 BFADLO Cc1ccc(Cn2cc[nH+]c2)c(Cl)c1 ZINC000235880920 541392421 /nfs/dbraw/zinc/39/24/21/541392421.db2.gz NHTBBCSVSLXBIG-UHFFFAOYSA-N 1 2 206.676 2.893 20 0 BFADLO CC1(C)C[N@H+](Cc2ccns2)C(C)(C)CO1 ZINC000638091300 541406749 /nfs/dbraw/zinc/40/67/49/541406749.db2.gz LSGKVXAJTSMTAQ-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccns2)C(C)(C)CO1 ZINC000638091300 541406750 /nfs/dbraw/zinc/40/67/50/541406750.db2.gz LSGKVXAJTSMTAQ-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)C2=CCCCC2)[nH+]1 ZINC000574524936 365083494 /nfs/dbraw/zinc/08/34/94/365083494.db2.gz LGAXQOYHUKJSDN-UHFFFAOYSA-N 1 2 247.342 2.570 20 0 BFADLO C[C@H]1CC[N@H+](CC2(C)CC2)CC1(F)F ZINC000574861480 365160161 /nfs/dbraw/zinc/16/01/61/365160161.db2.gz XOQLHILAWSFLES-VIFPVBQESA-N 1 2 203.276 2.764 20 0 BFADLO C[C@H]1CC[N@@H+](CC2(C)CC2)CC1(F)F ZINC000574861480 365160171 /nfs/dbraw/zinc/16/01/71/365160171.db2.gz XOQLHILAWSFLES-VIFPVBQESA-N 1 2 203.276 2.764 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)(F)F ZINC000574856108 365160684 /nfs/dbraw/zinc/16/06/84/365160684.db2.gz WNYNAVJBDDHGJC-SECBINFHSA-N 1 2 240.297 2.704 20 0 BFADLO CC1(C)C[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000444086509 193034727 /nfs/dbraw/zinc/03/47/27/193034727.db2.gz PBAXYMDTUDQIQO-JTQLQIEISA-N 1 2 227.311 2.510 20 0 BFADLO CC(C)(C)CCNc1cc[nH+]c2ccncc12 ZINC000444109950 193034824 /nfs/dbraw/zinc/03/48/24/193034824.db2.gz OQKTZSNOHLQKCZ-UHFFFAOYSA-N 1 2 229.327 2.900 20 0 BFADLO c1cc2[nH+]ccc(NC[C@@H]3CC=CCC3)c2cn1 ZINC000444117590 193035713 /nfs/dbraw/zinc/03/57/13/193035713.db2.gz ZLKYFYZYHXJZLB-GFCCVEGCSA-N 1 2 239.322 2.820 20 0 BFADLO C[C@@H]1CN(c2[nH+]c3cccc(F)c3n2C)C[C@H]1C ZINC000443509179 193023034 /nfs/dbraw/zinc/02/30/34/193023034.db2.gz KKDDXQUJAGHMOV-NXEZZACHSA-N 1 2 247.317 2.805 20 0 BFADLO CN(CC1CC1)c1[nH+]c2cccc(F)c2n1C ZINC000443519029 193023325 /nfs/dbraw/zinc/02/33/25/193023325.db2.gz MXIAWTUALVSXHT-UHFFFAOYSA-N 1 2 233.290 2.559 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c(C)c[nH+]1 ZINC000575320230 365288377 /nfs/dbraw/zinc/28/83/77/365288377.db2.gz XRHHFIDEILLOOC-CHWSQXEVSA-N 1 2 246.354 2.741 20 0 BFADLO Nc1[nH+]cnc(NCCC2CCCC2)c1Cl ZINC000192273805 365314964 /nfs/dbraw/zinc/31/49/64/365314964.db2.gz ZOQZJQWOMQQIGR-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO Nc1nc[nH+]c(NCCC2CCCC2)c1Cl ZINC000192273805 365314972 /nfs/dbraw/zinc/31/49/72/365314972.db2.gz ZOQZJQWOMQQIGR-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CCc1nc(C[NH2+][C@H]2CCC[C@H]2F)cs1 ZINC000339583252 365469054 /nfs/dbraw/zinc/46/90/54/365469054.db2.gz HUAYPOZMCSVYFP-ZJUUUORDSA-N 1 2 228.336 2.686 20 0 BFADLO C[C@@H](NC(=O)CCCC(C)(C)C)c1[nH]cc[nH+]1 ZINC000576076142 365475117 /nfs/dbraw/zinc/47/51/17/365475117.db2.gz NTEDZDROQRDXDH-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000576166051 365506872 /nfs/dbraw/zinc/50/68/72/365506872.db2.gz BQIUDXNGBLXLAC-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000576166051 365506877 /nfs/dbraw/zinc/50/68/77/365506877.db2.gz BQIUDXNGBLXLAC-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO CC[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000152862838 325808181 /nfs/dbraw/zinc/80/81/81/325808181.db2.gz XEKIPOVQCCWOHF-LLVKDONJSA-N 1 2 219.332 2.836 20 0 BFADLO CCCCn1ncc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000353637950 541484420 /nfs/dbraw/zinc/48/44/20/541484420.db2.gz POKNZXWOUNETNS-JTQLQIEISA-N 1 2 247.346 2.888 20 0 BFADLO CCCCn1ncc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000353637951 541484440 /nfs/dbraw/zinc/48/44/40/541484440.db2.gz POKNZXWOUNETNS-SNVBAGLBSA-N 1 2 247.346 2.888 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000180004346 541507151 /nfs/dbraw/zinc/50/71/51/541507151.db2.gz NQHQOWKWJSOMMU-NXEZZACHSA-N 1 2 230.315 2.525 20 0 BFADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CC(F)F ZINC000178133210 541503061 /nfs/dbraw/zinc/50/30/61/541503061.db2.gz KHLZDDJJIASSLU-UWVGGRQHSA-N 1 2 235.318 2.777 20 0 BFADLO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC(F)F ZINC000178133210 541503066 /nfs/dbraw/zinc/50/30/66/541503066.db2.gz KHLZDDJJIASSLU-UWVGGRQHSA-N 1 2 235.318 2.777 20 0 BFADLO CC(C)c1nc(N[C@H]2CCCOCC2)cc[nH+]1 ZINC000183000196 366964616 /nfs/dbraw/zinc/96/46/16/366964616.db2.gz QLAVHXQGBYHJJG-NSHDSACASA-N 1 2 235.331 2.581 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccccc1C ZINC000179998610 541506419 /nfs/dbraw/zinc/50/64/19/541506419.db2.gz WWKDVRQMKMSSDB-LLVKDONJSA-N 1 2 229.327 2.877 20 0 BFADLO CCN(CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000183188216 366993707 /nfs/dbraw/zinc/99/37/07/366993707.db2.gz SHTBXORILVTGRX-UHFFFAOYSA-N 1 2 247.317 2.939 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCC[C@H]2C)[nH+]1 ZINC000579968135 367107996 /nfs/dbraw/zinc/10/79/96/367107996.db2.gz JNLFWTHPCNXEPG-KOLCDFICSA-N 1 2 249.358 2.506 20 0 BFADLO c1[nH]cc(N[C@H]2CCC[C@@H](c3cccnc3)C2)[nH+]1 ZINC000580806072 367171363 /nfs/dbraw/zinc/17/13/63/367171363.db2.gz UZAAAFMHGNJXLP-YPMHNXCESA-N 1 2 242.326 2.943 20 0 BFADLO Fc1cc(Cl)ccc1CNc1c[nH]c[nH+]1 ZINC000380331839 367182902 /nfs/dbraw/zinc/18/29/02/367182902.db2.gz OKWQBGIFYLSJOF-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO Cc1ccc(N[C@H](C)c2cncnc2C)c[nH+]1 ZINC000581021810 367240264 /nfs/dbraw/zinc/24/02/64/367240264.db2.gz AHQLWTUNTCPHRN-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2ccoc2)s1 ZINC000381330949 367382540 /nfs/dbraw/zinc/38/25/40/367382540.db2.gz TWYSTITYXHWRSP-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO C[C@H]1CC[C@@H](CC(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581434539 367469704 /nfs/dbraw/zinc/46/97/04/367469704.db2.gz CVQMIXXZCRIXDR-WDEREUQCSA-N 1 2 249.358 2.587 20 0 BFADLO Cc1nc(N[C@H](C)[C@@H]2CC3CCC2CC3)cc[nH+]1 ZINC000382136432 367489794 /nfs/dbraw/zinc/48/97/94/367489794.db2.gz NDMTVDLDOMRLIV-OFVDZJKFSA-N 1 2 245.370 2.834 20 0 BFADLO CCc1nc(C)c(CNc2[nH+]cccc2OC)o1 ZINC000382523414 367532501 /nfs/dbraw/zinc/53/25/01/367532501.db2.gz WXFBXZSEPZFKOQ-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2CC(C)C)cc[nH+]1 ZINC000385141038 367801096 /nfs/dbraw/zinc/80/10/96/367801096.db2.gz HNPKOGYBRDBFNA-GHMZBOCLSA-N 1 2 205.305 2.632 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@H](C)c2ccco2)cn1 ZINC000013568414 367931943 /nfs/dbraw/zinc/93/19/43/367931943.db2.gz KNJLLNARQDDGAJ-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@H](C)c2ccco2)cn1 ZINC000013568414 367931948 /nfs/dbraw/zinc/93/19/48/367931948.db2.gz KNJLLNARQDDGAJ-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO Cc1scc(CNc2cc[nH+]cc2F)c1C ZINC000630953614 368148292 /nfs/dbraw/zinc/14/82/92/368148292.db2.gz KPUPUYUBSXQOHV-UHFFFAOYSA-N 1 2 236.315 2.933 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000046773869 368449451 /nfs/dbraw/zinc/44/94/51/368449451.db2.gz QOHVRCMFPGGMTR-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000046773869 368449454 /nfs/dbraw/zinc/44/94/54/368449454.db2.gz QOHVRCMFPGGMTR-JTQLQIEISA-N 1 2 225.719 2.561 20 0 BFADLO C[C@H]1CCCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000045809959 368432546 /nfs/dbraw/zinc/43/25/46/368432546.db2.gz GLLNJAFPBBXZKZ-JTQLQIEISA-N 1 2 237.347 2.742 20 0 BFADLO C[C@H]1CCCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000045809959 368432552 /nfs/dbraw/zinc/43/25/52/368432552.db2.gz GLLNJAFPBBXZKZ-JTQLQIEISA-N 1 2 237.347 2.742 20 0 BFADLO Cc1nc(C[N@H+](C)CCOC(C)(C)C)cs1 ZINC000058396602 368510592 /nfs/dbraw/zinc/51/05/92/368510592.db2.gz GKXUUMPFTOPCIJ-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO Cc1nc(C[N@@H+](C)CCOC(C)(C)C)cs1 ZINC000058396602 368510596 /nfs/dbraw/zinc/51/05/96/368510596.db2.gz GKXUUMPFTOPCIJ-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO CN(Cc1ccsc1)c1cccc[nH+]1 ZINC000061173908 368560986 /nfs/dbraw/zinc/56/09/86/368560986.db2.gz ZAKUOUHCRWCAGB-UHFFFAOYSA-N 1 2 204.298 2.780 20 0 BFADLO CCC[C@H](C)[N@H+](C)Cc1nnc(OCC)s1 ZINC000063499632 368586221 /nfs/dbraw/zinc/58/62/21/368586221.db2.gz YKKVVMLYKMXYAS-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO CCC[C@H](C)[N@@H+](C)Cc1nnc(OCC)s1 ZINC000063499632 368586224 /nfs/dbraw/zinc/58/62/24/368586224.db2.gz YKKVVMLYKMXYAS-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO CC(C)c1nc(C[N@@H+](C(C)C)C2CC2)no1 ZINC000064931812 368615925 /nfs/dbraw/zinc/61/59/25/368615925.db2.gz LQWFMCKDGFJBNU-UHFFFAOYSA-N 1 2 223.320 2.566 20 0 BFADLO CC(C)c1nc(C[N@H+](C(C)C)C2CC2)no1 ZINC000064931812 368615928 /nfs/dbraw/zinc/61/59/28/368615928.db2.gz LQWFMCKDGFJBNU-UHFFFAOYSA-N 1 2 223.320 2.566 20 0 BFADLO Cc1occc1CN(C)c1cccc[nH+]1 ZINC000065587508 368625786 /nfs/dbraw/zinc/62/57/86/368625786.db2.gz HXZKAUDMINMEMZ-UHFFFAOYSA-N 1 2 202.257 2.619 20 0 BFADLO Cc1ccc(OCCN(C)c2cccc[nH+]2)cc1 ZINC000070793699 368765080 /nfs/dbraw/zinc/76/50/80/368765080.db2.gz VVRGTWPKCKBPKI-UHFFFAOYSA-N 1 2 242.322 2.905 20 0 BFADLO Cc1cnc(C[NH2+]C2(c3ccccc3)CC2)o1 ZINC000072604770 368775948 /nfs/dbraw/zinc/77/59/48/368775948.db2.gz JMDHGXAIANTNRG-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2cccc(C)c2)n1 ZINC000073637444 368812074 /nfs/dbraw/zinc/81/20/74/368812074.db2.gz YNMWBXSTEFRQNW-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)n1 ZINC000074072309 368829287 /nfs/dbraw/zinc/82/92/87/368829287.db2.gz IRCIRWYPBMRJJE-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2cccs2)n1 ZINC000074071279 368829617 /nfs/dbraw/zinc/82/96/17/368829617.db2.gz WKGONRJWROSVTO-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cccs2)n1 ZINC000074071279 368829621 /nfs/dbraw/zinc/82/96/21/368829621.db2.gz WKGONRJWROSVTO-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC000615957901 368785615 /nfs/dbraw/zinc/78/56/15/368785615.db2.gz AHQSLSVPSJNGQB-QWRGUYRKSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1cccn2c(NC(=O)[C@@H](C)C3CC3)c[nH+]c12 ZINC000619014654 368958126 /nfs/dbraw/zinc/95/81/26/368958126.db2.gz RNQDQIDSHCXQNG-JTQLQIEISA-N 1 2 243.310 2.627 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)[C@H]1CC1(C)C ZINC000309888438 326173607 /nfs/dbraw/zinc/17/36/07/326173607.db2.gz ZGUUWVUDSZELHC-NXEZZACHSA-N 1 2 220.316 2.937 20 0 BFADLO CC[C@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011118 369256199 /nfs/dbraw/zinc/25/61/99/369256199.db2.gz PUKRJNOLGXKVPW-VIFPVBQESA-N 1 2 231.299 2.627 20 0 BFADLO CC[C@@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011117 369257655 /nfs/dbraw/zinc/25/76/55/369257655.db2.gz PUKRJNOLGXKVPW-SECBINFHSA-N 1 2 231.299 2.627 20 0 BFADLO FC1=CCC[N@H+](CCOCC2CCCC2)C1 ZINC000459471995 203287547 /nfs/dbraw/zinc/28/75/47/203287547.db2.gz OKFMZBMIQYASIJ-UHFFFAOYSA-N 1 2 227.323 2.752 20 0 BFADLO FC1=CCC[N@@H+](CCOCC2CCCC2)C1 ZINC000459471995 203287549 /nfs/dbraw/zinc/28/75/49/203287549.db2.gz OKFMZBMIQYASIJ-UHFFFAOYSA-N 1 2 227.323 2.752 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000623680109 369381700 /nfs/dbraw/zinc/38/17/00/369381700.db2.gz XWQVRXGTFGYBGK-UHFFFAOYSA-N 1 2 245.317 2.773 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(OC)cc1F ZINC000623679222 369378601 /nfs/dbraw/zinc/37/86/01/369378601.db2.gz NBVZCNPDGXXQLJ-UHFFFAOYSA-N 1 2 247.260 2.969 20 0 BFADLO CCC(F)(F)CNCc1[nH+]ccn1C(C)C ZINC000623679128 369378750 /nfs/dbraw/zinc/37/87/50/369378750.db2.gz JILBKWHELQEIGP-UHFFFAOYSA-N 1 2 231.290 2.599 20 0 BFADLO CCOC1C[NH+](CCc2cccc(Cl)c2)C1 ZINC000459612108 203317355 /nfs/dbraw/zinc/31/73/55/203317355.db2.gz UJFBJBHLTPHROB-UHFFFAOYSA-N 1 2 239.746 2.603 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000165726205 203386105 /nfs/dbraw/zinc/38/61/05/203386105.db2.gz IQDYEHYSAVNOLJ-RYUDHWBXSA-N 1 2 235.327 2.841 20 0 BFADLO Cc1noc(C)c1CNc1cc[nH+]c(C(C)C)n1 ZINC000110280672 369692638 /nfs/dbraw/zinc/69/26/38/369692638.db2.gz KBUJBLFNWSAQLY-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@H](C)C2CCCCC2)c[nH+]1 ZINC000620372899 369856980 /nfs/dbraw/zinc/85/69/80/369856980.db2.gz ZPPWVGTXDJCCEJ-JTQLQIEISA-N 1 2 249.358 2.664 20 0 BFADLO CCCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCC1 ZINC000620602553 369950650 /nfs/dbraw/zinc/95/06/50/369950650.db2.gz AEWOGDXRCYFXOD-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO N#Cc1ccc(C[NH+]2CC(C(F)(F)F)C2)s1 ZINC000568165781 326317910 /nfs/dbraw/zinc/31/79/10/326317910.db2.gz XICHMBBTCVZBRG-UHFFFAOYSA-N 1 2 246.257 2.614 20 0 BFADLO CCc1noc(C[N@H+](Cc2ccco2)C(C)C)n1 ZINC000621272683 370203908 /nfs/dbraw/zinc/20/39/08/370203908.db2.gz BHZKBMJMUXVIHP-UHFFFAOYSA-N 1 2 249.314 2.636 20 0 BFADLO CCc1noc(C[N@@H+](Cc2ccco2)C(C)C)n1 ZINC000621272683 370203913 /nfs/dbraw/zinc/20/39/13/370203913.db2.gz BHZKBMJMUXVIHP-UHFFFAOYSA-N 1 2 249.314 2.636 20 0 BFADLO CC[C@H](c1ccccc1)[N@H+](C)Cc1nnc(C)o1 ZINC000621277029 370207914 /nfs/dbraw/zinc/20/79/14/370207914.db2.gz HZTZRTIGJKRXEZ-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1nnc(C)o1 ZINC000621277029 370207920 /nfs/dbraw/zinc/20/79/20/370207920.db2.gz HZTZRTIGJKRXEZ-CYBMUJFWSA-N 1 2 245.326 2.961 20 0 BFADLO COC(=O)[C@H]([NH2+]CCCC1CC1)c1ccccc1 ZINC000076320612 370263270 /nfs/dbraw/zinc/26/32/70/370263270.db2.gz GNGJKDMLDUBAEG-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO Cc1nc(N2CC(CC3CC3)C2)c(C)c(C)[nH+]1 ZINC000621359757 370294898 /nfs/dbraw/zinc/29/48/98/370294898.db2.gz VLYIAXIALMKNKY-UHFFFAOYSA-N 1 2 231.343 2.638 20 0 BFADLO Fc1ccc(C[C@@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000076807489 370355834 /nfs/dbraw/zinc/35/58/34/370355834.db2.gz CLIQIERHFDZOOV-NSHDSACASA-N 1 2 243.272 2.955 20 0 BFADLO Fc1ccc(C[C@@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000076807489 370355840 /nfs/dbraw/zinc/35/58/40/370355840.db2.gz CLIQIERHFDZOOV-NSHDSACASA-N 1 2 243.272 2.955 20 0 BFADLO FCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621402098 370339861 /nfs/dbraw/zinc/33/98/61/370339861.db2.gz SRKZCUDKMZHZRI-SECBINFHSA-N 1 2 209.255 2.760 20 0 BFADLO FC(F)[C@H](NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000621404624 370341476 /nfs/dbraw/zinc/34/14/76/370341476.db2.gz ZJBBIGJFLXQKBC-LLVKDONJSA-N 1 2 243.301 2.713 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1ccon1 ZINC000077318453 370410526 /nfs/dbraw/zinc/41/05/26/370410526.db2.gz QJBPOADXYGDCRZ-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccon1 ZINC000077318453 370410534 /nfs/dbraw/zinc/41/05/34/370410534.db2.gz QJBPOADXYGDCRZ-JTQLQIEISA-N 1 2 246.285 2.933 20 0 BFADLO Cc1nccnc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000621711032 370456329 /nfs/dbraw/zinc/45/63/29/370456329.db2.gz BFNDDZLXUWVZTH-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nccnc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000621711032 370456330 /nfs/dbraw/zinc/45/63/30/370456330.db2.gz BFNDDZLXUWVZTH-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CCc1nc(C[NH+]2CC(CC3CC3)C2)cs1 ZINC000621740623 370501084 /nfs/dbraw/zinc/50/10/84/370501084.db2.gz ZVQIKJSUXSBWDK-UHFFFAOYSA-N 1 2 236.384 2.937 20 0 BFADLO CS[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000078296797 370548519 /nfs/dbraw/zinc/54/85/19/370548519.db2.gz AXENISRNMMFLPB-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO CCN(CC)c1nc2ccccc2n2c[nH+]cc12 ZINC000623788644 371094097 /nfs/dbraw/zinc/09/40/97/371094097.db2.gz KGAZYSBAFBBMOK-UHFFFAOYSA-N 1 2 240.310 2.729 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@H]1CCCCO1 ZINC000623942730 371170462 /nfs/dbraw/zinc/17/04/62/371170462.db2.gz RLWPOJNRKFFWQD-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000389910056 371180537 /nfs/dbraw/zinc/18/05/37/371180537.db2.gz JGJMHAQGWYVUME-HTQZYQBOSA-N 1 2 244.241 2.899 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccccn1 ZINC000624148136 371342618 /nfs/dbraw/zinc/34/26/18/371342618.db2.gz WIUCLZQMRBTDHB-VIFPVBQESA-N 1 2 214.259 2.778 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1cncs1 ZINC000624148140 371344257 /nfs/dbraw/zinc/34/42/57/371344257.db2.gz WKHSZMPNZNBPLU-ZETCQYMHSA-N 1 2 220.288 2.839 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@H](C2CCC2)C1 ZINC000624286338 371457339 /nfs/dbraw/zinc/45/73/39/371457339.db2.gz SJQPUPTYBKTWPC-LBPRGKRZSA-N 1 2 232.327 2.717 20 0 BFADLO CCC(F)(F)CNc1cc(NC2CC2)nc[nH+]1 ZINC000624560797 371541633 /nfs/dbraw/zinc/54/16/33/371541633.db2.gz WSRRWJIQANUKDV-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CCC(F)(F)CNc1cc(NC2CC2)[nH+]cn1 ZINC000624560797 371541638 /nfs/dbraw/zinc/54/16/38/371541638.db2.gz WSRRWJIQANUKDV-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CC(C)[C@H](C)SCc1ccc[nH+]c1N ZINC000232706030 372154239 /nfs/dbraw/zinc/15/42/39/372154239.db2.gz UOLVXNNKHPPIIT-VIFPVBQESA-N 1 2 210.346 2.942 20 0 BFADLO CO[C@H](C)CNc1cc2ccccc2c[nH+]1 ZINC000631240218 372255213 /nfs/dbraw/zinc/25/52/13/372255213.db2.gz HZCVWEBDXNHKTO-SNVBAGLBSA-N 1 2 216.284 2.682 20 0 BFADLO CCCCc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncn1 ZINC000631280789 372275702 /nfs/dbraw/zinc/27/57/02/372275702.db2.gz VXPQTXXVEAKTLN-SNVBAGLBSA-N 1 2 245.330 2.715 20 0 BFADLO CCCCc1cc(N[C@@H]2CC23CC3)nc[nH+]1 ZINC000631309756 372288645 /nfs/dbraw/zinc/28/86/45/372288645.db2.gz WAIAWANKZOTKOK-LLVKDONJSA-N 1 2 217.316 2.784 20 0 BFADLO CCCCc1cc(N[C@@H]2COC(C)(C)C2)nc[nH+]1 ZINC000631349722 372308494 /nfs/dbraw/zinc/30/84/94/372308494.db2.gz JVJYSNODVGLYTR-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1cc(N[C@@H](C)c2cnc(C)s2)nc[nH+]1 ZINC000631472175 372382660 /nfs/dbraw/zinc/38/26/60/372382660.db2.gz OBCTYQSKHLLXJY-QMMMGPOBSA-N 1 2 248.355 2.977 20 0 BFADLO Cc1ncc([C@@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000631472775 372384128 /nfs/dbraw/zinc/38/41/28/372384128.db2.gz TWOROSYDOZRBCG-MRVPVSSYSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000631510387 372400124 /nfs/dbraw/zinc/40/01/24/372400124.db2.gz JLWYUXIGSWYAHD-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1nccn1C ZINC000631728504 372525388 /nfs/dbraw/zinc/52/53/88/372525388.db2.gz QWUJKSXCUZJLMN-GFCCVEGCSA-N 1 2 233.315 2.562 20 0 BFADLO CC[C@H](C)Cc1noc(C[N@H+](CC)C2CC2)n1 ZINC000632248492 372825748 /nfs/dbraw/zinc/82/57/48/372825748.db2.gz SAVRNZDAUJPUBC-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@H](C)Cc1noc(C[N@@H+](CC)C2CC2)n1 ZINC000632248492 372825756 /nfs/dbraw/zinc/82/57/56/372825756.db2.gz SAVRNZDAUJPUBC-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CC[N@H+](CCc1ccccc1)CC(F)F ZINC000171990730 372846836 /nfs/dbraw/zinc/84/68/36/372846836.db2.gz JQEJHKZHBMXCBM-UHFFFAOYSA-N 1 2 213.271 2.816 20 0 BFADLO CC[N@@H+](CCc1ccccc1)CC(F)F ZINC000171990730 372846838 /nfs/dbraw/zinc/84/68/38/372846838.db2.gz JQEJHKZHBMXCBM-UHFFFAOYSA-N 1 2 213.271 2.816 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C)no1 ZINC000172910007 373105839 /nfs/dbraw/zinc/10/58/39/373105839.db2.gz OGYGTKXWABBLTB-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)no1 ZINC000172910007 373105843 /nfs/dbraw/zinc/10/58/43/373105843.db2.gz OGYGTKXWABBLTB-NSHDSACASA-N 1 2 242.322 2.930 20 0 BFADLO CCCC[C@@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000168802341 205505906 /nfs/dbraw/zinc/50/59/06/205505906.db2.gz QJHNEXUOXXJDNL-AWEZNQCLSA-N 1 2 247.338 2.734 20 0 BFADLO CC1(C)C[NH+](Cc2cscn2)CC(C)(C)O1 ZINC000190542039 259566146 /nfs/dbraw/zinc/56/61/46/259566146.db2.gz RCAKULSGBRMGLF-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCO[C@@H]1C ZINC000634547776 374302865 /nfs/dbraw/zinc/30/28/65/374302865.db2.gz DFTGHHIUXNTZGR-NEPJUHHUSA-N 1 2 235.327 2.756 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(CC(C)C)CC1 ZINC000440466972 206078334 /nfs/dbraw/zinc/07/83/34/206078334.db2.gz KYOWXIDWFCYNSZ-UHFFFAOYSA-N 1 2 246.354 2.831 20 0 BFADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)[C@H](C)[C@H](C)O1 ZINC000445673135 206085029 /nfs/dbraw/zinc/08/50/29/206085029.db2.gz CZSOZGKVGZEIGC-MXWKQRLJSA-N 1 2 245.326 2.565 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)O[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000445672627 206085978 /nfs/dbraw/zinc/08/59/78/206085978.db2.gz BGSLLSQHYNXDBE-WOPDTQHZSA-N 1 2 249.358 2.602 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1CC=CCC1 ZINC000280837651 182385253 /nfs/dbraw/zinc/38/52/53/182385253.db2.gz UZZYJAIYICYEJL-LLVKDONJSA-N 1 2 241.294 2.629 20 0 BFADLO OCC[C@H](Nc1ccc2ccccc2[nH+]1)C1CC1 ZINC000301379301 183097445 /nfs/dbraw/zinc/09/74/45/183097445.db2.gz XSDNVSSMEBJVGG-AWEZNQCLSA-N 1 2 242.322 2.808 20 0 BFADLO OC[C@@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000338765632 183105871 /nfs/dbraw/zinc/10/58/71/183105871.db2.gz DKYMVLNJNNAQIC-CYBMUJFWSA-N 1 2 234.343 2.682 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339569217 169032951 /nfs/dbraw/zinc/03/29/51/169032951.db2.gz RSGHOWXQOBPWEW-DCAQKATOSA-N 1 2 237.347 2.813 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339569217 169032953 /nfs/dbraw/zinc/03/29/53/169032953.db2.gz RSGHOWXQOBPWEW-DCAQKATOSA-N 1 2 237.347 2.813 20 0 BFADLO CCCN(C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000179831652 169043648 /nfs/dbraw/zinc/04/36/48/169043648.db2.gz MDKZENMHFUJGBW-UHFFFAOYSA-N 1 2 233.315 2.796 20 0 BFADLO O[C@H]1CCC[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000089166924 183237197 /nfs/dbraw/zinc/23/71/97/183237197.db2.gz RCEFVSRSZMUCME-OCCSQVGLSA-N 1 2 242.322 2.808 20 0 BFADLO CCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000359017786 169132143 /nfs/dbraw/zinc/13/21/43/169132143.db2.gz LHARDOVUKZDASJ-UHFFFAOYSA-N 1 2 219.332 2.899 20 0 BFADLO CCCN(Cc1cc(OC)cc[nH+]1)CC(F)F ZINC000151506859 169176391 /nfs/dbraw/zinc/17/63/91/169176391.db2.gz YPKVKMQTMBHPMY-UHFFFAOYSA-N 1 2 244.285 2.567 20 0 BFADLO Oc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1Cl ZINC000294211524 183290035 /nfs/dbraw/zinc/29/00/35/183290035.db2.gz YGIVBFUMZTWPRS-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc(C[N@H+]2CCC[C@@H]2CF)c1Cl ZINC000294211524 183290036 /nfs/dbraw/zinc/29/00/36/183290036.db2.gz YGIVBFUMZTWPRS-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc(C[NH+]2CCSCC2)c1Cl ZINC000294981968 183290201 /nfs/dbraw/zinc/29/02/01/183290201.db2.gz SLDRSFFGHDLZME-UHFFFAOYSA-N 1 2 243.759 2.594 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000109830584 183325591 /nfs/dbraw/zinc/32/55/91/183325591.db2.gz JABBAPKPEHTKKS-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000109830584 183325595 /nfs/dbraw/zinc/32/55/95/183325595.db2.gz JABBAPKPEHTKKS-LLVKDONJSA-N 1 2 233.340 2.808 20 0 BFADLO CCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187027437 169204430 /nfs/dbraw/zinc/20/44/30/169204430.db2.gz KKOUMSWVNOGKRB-VIFPVBQESA-N 1 2 228.386 2.643 20 0 BFADLO CCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187027437 169204433 /nfs/dbraw/zinc/20/44/33/169204433.db2.gz KKOUMSWVNOGKRB-VIFPVBQESA-N 1 2 228.386 2.643 20 0 BFADLO CCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846005 169204981 /nfs/dbraw/zinc/20/49/81/169204981.db2.gz XJAYHIJRYVPNOB-ZDUSSCGKSA-N 1 2 223.291 2.609 20 0 BFADLO CCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846005 169204984 /nfs/dbraw/zinc/20/49/84/169204984.db2.gz XJAYHIJRYVPNOB-ZDUSSCGKSA-N 1 2 223.291 2.609 20 0 BFADLO c1csc(C[N@H+](Cc2ccncc2)C2CC2)n1 ZINC000093221336 183341050 /nfs/dbraw/zinc/34/10/50/183341050.db2.gz AKVDNRBBTKEEPA-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1csc(C[N@@H+](Cc2ccncc2)C2CC2)n1 ZINC000093221336 183341052 /nfs/dbraw/zinc/34/10/52/183341052.db2.gz AKVDNRBBTKEEPA-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1cn(-c2cccc(N[C@@H]3CCSC3)c2)c[nH+]1 ZINC000036939869 183359228 /nfs/dbraw/zinc/35/92/28/183359228.db2.gz BPLQETQPACCJCD-GFCCVEGCSA-N 1 2 245.351 2.790 20 0 BFADLO c1cc([NH2+]C[C@@H]2CCSC2)cc2c1OCC2 ZINC000224361744 183368961 /nfs/dbraw/zinc/36/89/61/183368961.db2.gz ZEEWXWHGAXUTAT-JTQLQIEISA-N 1 2 235.352 2.787 20 0 BFADLO c1cc2[nH+]ccc(NC[C@H]3CCCCO3)c2cn1 ZINC000267937413 183376815 /nfs/dbraw/zinc/37/68/15/183376815.db2.gz GZOZXYGDWLREGF-LLVKDONJSA-N 1 2 243.310 2.611 20 0 BFADLO CCC[NH2+][C@@H](C(=O)OC)c1cc(C)cc(C)c1 ZINC000043394831 169273932 /nfs/dbraw/zinc/27/39/32/169273932.db2.gz BFQLWTAIWJDVFZ-CYBMUJFWSA-N 1 2 235.327 2.517 20 0 BFADLO CCCO[C@@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266405630 169312318 /nfs/dbraw/zinc/31/23/18/169312318.db2.gz PWUQZGXQHGEYET-CYBMUJFWSA-N 1 2 249.358 2.571 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000341544923 169366671 /nfs/dbraw/zinc/36/66/71/169366671.db2.gz ICPQQORCCNQDJR-GFCCVEGCSA-N 1 2 248.374 2.702 20 0 BFADLO CCC[C@@H](C)N(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000341544923 169366673 /nfs/dbraw/zinc/36/66/73/169366673.db2.gz ICPQQORCCNQDJR-GFCCVEGCSA-N 1 2 248.374 2.702 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000112887112 169348697 /nfs/dbraw/zinc/34/86/97/169348697.db2.gz UVLQXXVDCXZKIC-VXGBXAGGSA-N 1 2 249.358 2.900 20 0 BFADLO CCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1OC ZINC000299525352 169357593 /nfs/dbraw/zinc/35/75/93/169357593.db2.gz PNIZPKFBYCNZJN-SNVBAGLBSA-N 1 2 236.315 2.855 20 0 BFADLO CCC[C@@H](CCO)CNc1cc[nH+]c(C2CC2)n1 ZINC000172809137 169382847 /nfs/dbraw/zinc/38/28/47/169382847.db2.gz CNAOKBJPXXXUPE-NSHDSACASA-N 1 2 249.358 2.565 20 0 BFADLO c1cc2c(nc[nH+]c2SC2CCCC2)[nH]1 ZINC000263736653 183535121 /nfs/dbraw/zinc/53/51/21/183535121.db2.gz DMXWGTKXRMOJLW-UHFFFAOYSA-N 1 2 219.313 2.993 20 0 BFADLO Clc1cnc(C[NH2+]Cc2ccoc2)s1 ZINC000225328057 134354355 /nfs/dbraw/zinc/35/43/55/134354355.db2.gz RUTJQTWUFQZWAR-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO COC[C@H](C)SCc1ccc(C)[nH+]c1C ZINC000184827155 134369479 /nfs/dbraw/zinc/36/94/79/134369479.db2.gz DEJGYNDISOETRG-JTQLQIEISA-N 1 2 225.357 2.967 20 0 BFADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CC1 ZINC000308642690 383873128 /nfs/dbraw/zinc/87/31/28/383873128.db2.gz FPMIAALUJQYTFY-RCOVLWMOSA-N 1 2 207.239 2.715 20 0 BFADLO c1snnc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075407 383934455 /nfs/dbraw/zinc/93/44/55/383934455.db2.gz AQUYIZNITPMHAV-ZDUSSCGKSA-N 1 2 245.351 2.779 20 0 BFADLO CSc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000036804784 383910614 /nfs/dbraw/zinc/91/06/14/383910614.db2.gz ZHIQMARDNQZJDA-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000036901654 383917992 /nfs/dbraw/zinc/91/79/92/383917992.db2.gz VRBKHLRCMJWVJA-SECBINFHSA-N 1 2 233.290 2.708 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000112515325 383928119 /nfs/dbraw/zinc/92/81/19/383928119.db2.gz NUVBBOOHFSFNPG-NXEZZACHSA-N 1 2 231.299 2.790 20 0 BFADLO c1nc2ccccc2n1CCNc1cccc[nH+]1 ZINC000357224054 383906344 /nfs/dbraw/zinc/90/63/44/383906344.db2.gz GYFLPHKVTXYTSL-UHFFFAOYSA-N 1 2 238.294 2.543 20 0 BFADLO c1ccc(OCCCNc2cccc[nH+]2)cc1 ZINC000001759813 383936032 /nfs/dbraw/zinc/93/60/32/383936032.db2.gz ZVSRJLKZHURQKB-UHFFFAOYSA-N 1 2 228.295 2.963 20 0 BFADLO C[C@@H]([NH2+]Cc1ccoc1)c1nccs1 ZINC000070621403 383944447 /nfs/dbraw/zinc/94/44/47/383944447.db2.gz IRJLBIGJOMVQJJ-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO C[C@H]([NH2+]Cc1ccoc1)c1nccs1 ZINC000070621402 383944523 /nfs/dbraw/zinc/94/45/23/383944523.db2.gz IRJLBIGJOMVQJJ-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1nccs1 ZINC000345347569 383950382 /nfs/dbraw/zinc/95/03/82/383950382.db2.gz DSFGBVFPPDPUKW-UTLUCORTSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1nccs1 ZINC000345347569 383950384 /nfs/dbraw/zinc/95/03/84/383950384.db2.gz DSFGBVFPPDPUKW-UTLUCORTSA-N 1 2 248.355 2.696 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@@H](C)[C@H](C)C2)c(C)[nH+]1 ZINC000267998679 383951987 /nfs/dbraw/zinc/95/19/87/383951987.db2.gz BQJGNTZUNUCBLF-NXEZZACHSA-N 1 2 247.342 2.818 20 0 BFADLO c1cc2c(nc[nH+]c2Nc2ccccc2)[nH]1 ZINC000089223895 383952481 /nfs/dbraw/zinc/95/24/81/383952481.db2.gz YCKACRNXVWJWBX-UHFFFAOYSA-N 1 2 210.240 2.702 20 0 BFADLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cccs1 ZINC000071013288 383968259 /nfs/dbraw/zinc/96/82/59/383968259.db2.gz PGOJOGYTBYFKKR-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccs1 ZINC000071013288 383968268 /nfs/dbraw/zinc/96/82/68/383968268.db2.gz PGOJOGYTBYFKKR-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CSc1ccc(NC[C@@H]2CCSC2)[nH+]c1 ZINC000278530583 384006984 /nfs/dbraw/zinc/00/69/84/384006984.db2.gz RQBGKPWFLBYKKB-VIFPVBQESA-N 1 2 240.397 2.969 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2csnn2)cc1 ZINC000037770685 384014845 /nfs/dbraw/zinc/01/48/45/384014845.db2.gz WONOBLMETSJPRI-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1ccccc1)C(=O)OC ZINC000037952477 384047655 /nfs/dbraw/zinc/04/76/55/384047655.db2.gz ICFQKXGDEWSQBW-CQSZACIVSA-N 1 2 235.327 2.508 20 0 BFADLO CCS[C@@H](C)c1noc(C[NH+](CC)CC)n1 ZINC000119949247 384034560 /nfs/dbraw/zinc/03/45/60/384034560.db2.gz MMCXAQLBSGSOAR-VIFPVBQESA-N 1 2 243.376 2.726 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000336534782 384089130 /nfs/dbraw/zinc/08/91/30/384089130.db2.gz CSFHEBOSBYPYFY-QWRGUYRKSA-N 1 2 247.342 2.818 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)n1 ZINC000038034429 384060784 /nfs/dbraw/zinc/06/07/84/384060784.db2.gz FQSDWYKOBADSHF-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000449378376 384076898 /nfs/dbraw/zinc/07/68/98/384076898.db2.gz DNCHAEVEDCPOPX-UHFFFAOYSA-N 1 2 237.652 2.876 20 0 BFADLO C[C@@H](CC(=O)N[C@H]1CCCC[C@H]1C)n1cc[nH+]c1 ZINC000560338772 384077934 /nfs/dbraw/zinc/07/79/34/384077934.db2.gz JVHPDPCOAPBIND-AGIUHOORSA-N 1 2 249.358 2.529 20 0 BFADLO CC[C@H](NC(=O)CC1CCCC1)c1[nH]cc[nH+]1 ZINC000140527117 384130092 /nfs/dbraw/zinc/13/00/92/384130092.db2.gz CKZOBUSUFGXWPJ-NSHDSACASA-N 1 2 235.331 2.557 20 0 BFADLO CC(C)Cc1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000449396558 384170959 /nfs/dbraw/zinc/17/09/59/384170959.db2.gz SFRNXSHPNMHMSJ-SNVBAGLBSA-N 1 2 242.363 2.885 20 0 BFADLO CC(C)Cc1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000449396558 384170966 /nfs/dbraw/zinc/17/09/66/384170966.db2.gz SFRNXSHPNMHMSJ-SNVBAGLBSA-N 1 2 242.363 2.885 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2CCn3ccnc32)cc1 ZINC000294091373 384177223 /nfs/dbraw/zinc/17/72/23/384177223.db2.gz MBQDONWTJVUGIL-CYBMUJFWSA-N 1 2 242.326 2.506 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000117941814 384185768 /nfs/dbraw/zinc/18/57/68/384185768.db2.gz VZHCMOMJNJXCQC-RISCZKNCSA-N 1 2 247.338 2.679 20 0 BFADLO CO[C@@H](CC(C)C)C[N@@H+]1CCC[C@H]1C(F)F ZINC000642699315 384202319 /nfs/dbraw/zinc/20/23/19/384202319.db2.gz VTDKXQQPJNZVTJ-QWRGUYRKSA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@@H](CC(C)C)C[N@H+]1CCC[C@H]1C(F)F ZINC000642699315 384202322 /nfs/dbraw/zinc/20/23/22/384202322.db2.gz VTDKXQQPJNZVTJ-QWRGUYRKSA-N 1 2 235.318 2.777 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)no1 ZINC000132498191 384234750 /nfs/dbraw/zinc/23/47/50/384234750.db2.gz FQYOCUBPQMGBCR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccnc2)no1 ZINC000132498191 384234754 /nfs/dbraw/zinc/23/47/54/384234754.db2.gz FQYOCUBPQMGBCR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)C2CCCCC2)[nH+]1 ZINC000569347525 384276879 /nfs/dbraw/zinc/27/68/79/384276879.db2.gz GDNFKHVWIVQKGE-UHFFFAOYSA-N 1 2 249.358 2.650 20 0 BFADLO Cc1ccc(NC(=O)CCC(F)(F)F)c(C)[nH+]1 ZINC000119263483 384253176 /nfs/dbraw/zinc/25/31/76/384253176.db2.gz QLMIBDQJFUSEMD-UHFFFAOYSA-N 1 2 246.232 2.979 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1cnc(C2CC2)s1 ZINC000560611106 384257853 /nfs/dbraw/zinc/25/78/53/384257853.db2.gz COYVFUAHKDQGRR-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1cnc(C2CC2)s1 ZINC000560611106 384257856 /nfs/dbraw/zinc/25/78/56/384257856.db2.gz COYVFUAHKDQGRR-JTQLQIEISA-N 1 2 240.347 2.954 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H]1CF ZINC000292717339 384277585 /nfs/dbraw/zinc/27/75/85/384277585.db2.gz HDNTUJNAWBRJGI-SNVBAGLBSA-N 1 2 233.290 2.512 20 0 BFADLO CC[N@H+](CC(F)F)C[C@@H](CC(C)C)OC ZINC000642701822 384268743 /nfs/dbraw/zinc/26/87/43/384268743.db2.gz VVJNEJDOVXSGLW-SNVBAGLBSA-N 1 2 223.307 2.635 20 0 BFADLO CC[N@@H+](CC(F)F)C[C@@H](CC(C)C)OC ZINC000642701822 384268750 /nfs/dbraw/zinc/26/87/50/384268750.db2.gz VVJNEJDOVXSGLW-SNVBAGLBSA-N 1 2 223.307 2.635 20 0 BFADLO COc1cc(F)ccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294044752 384272605 /nfs/dbraw/zinc/27/26/05/384272605.db2.gz IWQVWBLUBVLCCS-NSHDSACASA-N 1 2 247.273 2.588 20 0 BFADLO COC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccco1 ZINC000159286834 384316738 /nfs/dbraw/zinc/31/67/38/384316738.db2.gz CVOARDCXQMKFIJ-YPMHNXCESA-N 1 2 246.310 2.713 20 0 BFADLO CCN(CC1CC1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119724115 384299141 /nfs/dbraw/zinc/29/91/41/384299141.db2.gz SITZMIDJIDAVRA-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO CC[C@H](CO)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000119732329 384299259 /nfs/dbraw/zinc/29/92/59/384299259.db2.gz LZXMZEQFHLVGTQ-SNVBAGLBSA-N 1 2 248.301 2.865 20 0 BFADLO CC(C)[N@H+](CC[C@H]1CCOC1=O)c1ccccc1 ZINC000120225630 384340898 /nfs/dbraw/zinc/34/08/98/384340898.db2.gz HFRLXDBPPDKBKN-ZDUSSCGKSA-N 1 2 247.338 2.855 20 0 BFADLO CC(C)[N@@H+](CC[C@H]1CCOC1=O)c1ccccc1 ZINC000120225630 384340901 /nfs/dbraw/zinc/34/09/01/384340901.db2.gz HFRLXDBPPDKBKN-ZDUSSCGKSA-N 1 2 247.338 2.855 20 0 BFADLO C[C@@H]1C[NH+](Cc2cscn2)C[C@@H](C)C1(F)F ZINC000625650171 384364772 /nfs/dbraw/zinc/36/47/72/384364772.db2.gz WLRZKISDXPVZRN-RKDXNWHRSA-N 1 2 246.326 2.866 20 0 BFADLO CCN(CC)c1ccc(N[C@@H]2CCO[C@@H]2C)c[nH+]1 ZINC000134125362 384334576 /nfs/dbraw/zinc/33/45/76/384334576.db2.gz SFTKLQUOFGFPCA-DGCLKSJQSA-N 1 2 249.358 2.517 20 0 BFADLO CCC[C@H]1C[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121235373 384403939 /nfs/dbraw/zinc/40/39/39/384403939.db2.gz SEXRRNHSEFWPPD-JQWIXIFHSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc[nH+]cc1NC[C@@H]1CCSC1 ZINC000224422745 384406652 /nfs/dbraw/zinc/40/66/52/384406652.db2.gz YYVGERBYILITMP-JTQLQIEISA-N 1 2 208.330 2.555 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@H](C)[C@H]1C ZINC000121507042 384420184 /nfs/dbraw/zinc/42/01/84/384420184.db2.gz GSPWUJWASVCKIG-GXSJLCMTSA-N 1 2 233.315 2.652 20 0 BFADLO Fc1cc(F)c(C[NH+]2CC(C3CC3)C2)cc1F ZINC000643346083 384423765 /nfs/dbraw/zinc/42/37/65/384423765.db2.gz ZKDJYCCRHPRWSG-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO Cc1ccc(N[C@@H]2CCCSC2)c[nH+]1 ZINC000096033367 384425275 /nfs/dbraw/zinc/42/52/75/384425275.db2.gz ZRPYIWKXKWMRRU-LLVKDONJSA-N 1 2 208.330 2.698 20 0 BFADLO CO[C@@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000224347437 384379742 /nfs/dbraw/zinc/37/97/42/384379742.db2.gz ICOLPRQGEXDHTD-NSHDSACASA-N 1 2 230.311 2.990 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C)s2)o1 ZINC000134722470 384380100 /nfs/dbraw/zinc/38/01/00/384380100.db2.gz KMIFFYFQTSJFPQ-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)s2)o1 ZINC000134722450 384381166 /nfs/dbraw/zinc/38/11/66/384381166.db2.gz KMIFFYFQTSJFPQ-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CCC[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000120870701 384385665 /nfs/dbraw/zinc/38/56/65/384385665.db2.gz SXSYRFHTQMBOPX-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO CCC[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000120870701 384385673 /nfs/dbraw/zinc/38/56/73/384385673.db2.gz SXSYRFHTQMBOPX-NSHDSACASA-N 1 2 249.358 2.959 20 0 BFADLO C[C@H]1C[C@H](C)[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182257 384445650 /nfs/dbraw/zinc/44/56/50/384445650.db2.gz DJAREOSBFGBSHR-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1C[C@H](C)[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625182257 384445658 /nfs/dbraw/zinc/44/56/58/384445658.db2.gz DJAREOSBFGBSHR-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000122107388 384457526 /nfs/dbraw/zinc/45/75/26/384457526.db2.gz WNTVZJFAMVMJNB-TXEJJXNPSA-N 1 2 245.326 2.654 20 0 BFADLO FC(F)(F)c1cc[nH+]c(NC[C@@H]2CCCO2)c1 ZINC000078591922 384450983 /nfs/dbraw/zinc/45/09/83/384450983.db2.gz OXODCHOFKMZVIX-VIFPVBQESA-N 1 2 246.232 2.691 20 0 BFADLO CC1(C)SC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000276415965 384454803 /nfs/dbraw/zinc/45/48/03/384454803.db2.gz HWEHAOSXBJISRN-VIFPVBQESA-N 1 2 235.356 2.660 20 0 BFADLO CCc1cc(N)nc(SCC2=CCCC2)[nH+]1 ZINC000647120558 384457975 /nfs/dbraw/zinc/45/79/75/384457975.db2.gz YWLCZXDGJZQUKO-UHFFFAOYSA-N 1 2 235.356 2.654 20 0 BFADLO CC[C@H](COC)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000079745375 384434291 /nfs/dbraw/zinc/43/42/91/384434291.db2.gz XRIZUBKUGWHYML-LLVKDONJSA-N 1 2 237.347 2.745 20 0 BFADLO CCN(c1cc[nH+]c(C)n1)[C@@H](C)c1cccnc1 ZINC000078264012 384437627 /nfs/dbraw/zinc/43/76/27/384437627.db2.gz OZHHNJDOMGNIPJ-NSHDSACASA-N 1 2 242.326 2.768 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1F ZINC000148729107 384467458 /nfs/dbraw/zinc/46/74/58/384467458.db2.gz JIQPBDZIKYNORG-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO c1[nH+]c(SC[C@H]2CCCO2)n2ccccc12 ZINC000047822597 384468456 /nfs/dbraw/zinc/46/84/56/384468456.db2.gz WPADDCAEEUWFKP-LLVKDONJSA-N 1 2 234.324 2.605 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)cn1 ZINC000161156874 384470225 /nfs/dbraw/zinc/47/02/25/384470225.db2.gz GVOHJFAVBSFKIP-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1noc(C[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000052684791 384503417 /nfs/dbraw/zinc/50/34/17/384503417.db2.gz RMOGMRGSDFUDBW-LBPRGKRZSA-N 1 2 249.339 2.680 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000049371013 384534244 /nfs/dbraw/zinc/53/42/44/384534244.db2.gz JYHCXUJNBKNAKO-TZMCWYRMSA-N 1 2 249.354 2.925 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@H](C)CC)no1 ZINC000170790945 384521585 /nfs/dbraw/zinc/52/15/85/384521585.db2.gz IZZRHWBDSXOQGJ-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@H](C)CC)no1 ZINC000170790945 384521588 /nfs/dbraw/zinc/52/15/88/384521588.db2.gz IZZRHWBDSXOQGJ-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCn1cc[nH+]c1CN1CCc2cccc(F)c21 ZINC000533537672 384522791 /nfs/dbraw/zinc/52/27/91/384522791.db2.gz GLMLQIJJYYAVJH-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO Cc1ccc(NCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000049714791 384561074 /nfs/dbraw/zinc/56/10/74/384561074.db2.gz KKYSBBJBZUPLET-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO CCOc1cc(F)ccc1NCc1[nH]cc[nH+]1 ZINC000049715269 384561901 /nfs/dbraw/zinc/56/19/01/384561901.db2.gz MDSLGJZMHASDPT-UHFFFAOYSA-N 1 2 235.262 2.560 20 0 BFADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1Cl ZINC000049714646 384562494 /nfs/dbraw/zinc/56/24/94/384562494.db2.gz FMXUFHNFLWFGMT-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO Cc1ccc2cc(C[NH2+]CC(F)F)ccc2n1 ZINC000097861885 384568328 /nfs/dbraw/zinc/56/83/28/384568328.db2.gz NZKXEGZWEAZECV-UHFFFAOYSA-N 1 2 236.265 2.898 20 0 BFADLO Cc1ccc(F)cc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000097849491 384569285 /nfs/dbraw/zinc/56/92/85/384569285.db2.gz WVBKKLLYIAAAHL-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1ccc(F)cc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000097849491 384569292 /nfs/dbraw/zinc/56/92/92/384569292.db2.gz WVBKKLLYIAAAHL-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO CSCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000176202367 384576190 /nfs/dbraw/zinc/57/61/90/384576190.db2.gz YSTNLWVPIFIGSU-UHFFFAOYSA-N 1 2 238.356 2.780 20 0 BFADLO CCC1(CC)[C@H](Nc2cc[nH+]c(C)n2)C[C@H]1OC ZINC000151436924 384577985 /nfs/dbraw/zinc/57/79/85/384577985.db2.gz BXABFPBYFWGDCZ-VXGBXAGGSA-N 1 2 249.358 2.791 20 0 BFADLO COC(=O)C[N@H+](C/C=C/c1ccccc1)C(C)C ZINC000050063500 384585611 /nfs/dbraw/zinc/58/56/11/384585611.db2.gz CZNXHUYHNIOBDL-JXMROGBWSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)C[N@@H+](C/C=C/c1ccccc1)C(C)C ZINC000050063500 384585616 /nfs/dbraw/zinc/58/56/16/384585616.db2.gz CZNXHUYHNIOBDL-JXMROGBWSA-N 1 2 247.338 2.583 20 0 BFADLO C=C/C(C)=C\CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643354347 384567631 /nfs/dbraw/zinc/56/76/31/384567631.db2.gz PKZCORNBLVRAPB-WDZFZDKYSA-N 1 2 244.338 2.837 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](CCO)c2ccco2)o1 ZINC000184508231 384611009 /nfs/dbraw/zinc/61/10/09/384611009.db2.gz GGQSIFILJWRQPQ-ZDUSSCGKSA-N 1 2 249.310 2.648 20 0 BFADLO C[NH+](C)c1ccc(NC[C@H]2CCC=CO2)cc1 ZINC000050267979 384612182 /nfs/dbraw/zinc/61/21/82/384612182.db2.gz NNHSTKWCFNUNAD-CQSZACIVSA-N 1 2 232.327 2.857 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccon1 ZINC000172656415 384615535 /nfs/dbraw/zinc/61/55/35/384615535.db2.gz QLYONHHDTRASPJ-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccon1 ZINC000172656415 384615542 /nfs/dbraw/zinc/61/55/42/384615542.db2.gz QLYONHHDTRASPJ-NSHDSACASA-N 1 2 228.295 2.794 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@@H]2CCCOC2)c1 ZINC000309801123 384621280 /nfs/dbraw/zinc/62/12/80/384621280.db2.gz REYPLLPQOSDZQD-NWDGAFQWSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccncc2)oc1C ZINC000162446739 384622279 /nfs/dbraw/zinc/62/22/79/384622279.db2.gz BTRYZHRSYMHBEP-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccncc2)oc1C ZINC000162446739 384622285 /nfs/dbraw/zinc/62/22/85/384622285.db2.gz BTRYZHRSYMHBEP-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C2CC2)cc[nH+]1 ZINC000171811903 384665726 /nfs/dbraw/zinc/66/57/26/384665726.db2.gz PLKSEWMPKPLGKX-VIFPVBQESA-N 1 2 205.305 2.810 20 0 BFADLO FC(F)(F)Oc1ccc(Cn2cc[nH+]c2)cc1 ZINC000104291795 384667569 /nfs/dbraw/zinc/66/75/69/384667569.db2.gz GKWRYUVWKPSGPX-UHFFFAOYSA-N 1 2 242.200 2.830 20 0 BFADLO O=C(CC1CCC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000172930996 384639025 /nfs/dbraw/zinc/63/90/25/384639025.db2.gz JUFKQDQNGATZFK-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1ccc([N@H+](C)CCCCCO)c(C)c1 ZINC000051020091 384656436 /nfs/dbraw/zinc/65/64/36/384656436.db2.gz VPPPHZZAAOUJKQ-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1ccc([N@@H+](C)CCCCCO)c(C)c1 ZINC000051020091 384656440 /nfs/dbraw/zinc/65/64/40/384656440.db2.gz VPPPHZZAAOUJKQ-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO CC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000051626880 384675794 /nfs/dbraw/zinc/67/57/94/384675794.db2.gz RCFMXILAKISCQM-LBPRGKRZSA-N 1 2 233.340 2.779 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc(C(F)F)c1 ZINC000125981390 384724461 /nfs/dbraw/zinc/72/44/61/384724461.db2.gz KJPLQKMQXKXGMP-UHFFFAOYSA-N 1 2 237.253 2.970 20 0 BFADLO Cc1nc(C[NH2+]Cc2ccco2)sc1C ZINC000049818955 384690298 /nfs/dbraw/zinc/69/02/98/384690298.db2.gz LSKGVRVKRWJGPB-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CCOC2)c(C)[nH+]1 ZINC000162948331 384709154 /nfs/dbraw/zinc/70/91/54/384709154.db2.gz XRSNSMGRGYHKSL-JQWIXIFHSA-N 1 2 220.316 2.535 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030546 384722844 /nfs/dbraw/zinc/72/28/44/384722844.db2.gz JMELGJUOCXUJFG-GHMZBOCLSA-N 1 2 222.332 2.588 20 0 BFADLO CC[N@H+](CCCO)c1cc(C)cc(C)c1 ZINC000103469325 384774581 /nfs/dbraw/zinc/77/45/81/384774581.db2.gz JBBVWVLUDOJCLI-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CC[N@@H+](CCCO)c1cc(C)cc(C)c1 ZINC000103469325 384774587 /nfs/dbraw/zinc/77/45/87/384774587.db2.gz JBBVWVLUDOJCLI-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO Cc1[nH]c(CNC2(c3ccccc3)CC2)[nH+]c1C ZINC000568269448 384733186 /nfs/dbraw/zinc/73/31/86/384733186.db2.gz LMDRACZFHTZLSK-UHFFFAOYSA-N 1 2 241.338 2.805 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1cccc[nH+]1)OC ZINC000294294817 384738616 /nfs/dbraw/zinc/73/86/16/384738616.db2.gz ULVJBOUDPQZPGG-GHMZBOCLSA-N 1 2 208.305 2.555 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1csnn1 ZINC000334846355 384747386 /nfs/dbraw/zinc/74/73/86/384747386.db2.gz HOTNEHOINIZGGD-WCBMZHEXSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H](C)C[C@H](C)O)c1Cl ZINC000309987498 384767556 /nfs/dbraw/zinc/76/75/56/384767556.db2.gz ZBBQPDKMYORMAD-WPRPVWTQSA-N 1 2 242.750 2.862 20 0 BFADLO CC(C)[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000308502577 384768843 /nfs/dbraw/zinc/76/88/43/384768843.db2.gz HJEBQCLXEPXKQP-CBAPKCEASA-N 1 2 209.255 2.961 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2ncccc2c1 ZINC000147281049 384833565 /nfs/dbraw/zinc/83/35/65/384833565.db2.gz QFLHXTIGRRERDE-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccco2)o1 ZINC000174476024 384796671 /nfs/dbraw/zinc/79/66/71/384796671.db2.gz GUDKPUNBFMLEBU-ZDUSSCGKSA-N 1 2 249.310 2.912 20 0 BFADLO Cc1ccoc1C[NH2+][C@H](C)c1nccs1 ZINC000126783226 384804425 /nfs/dbraw/zinc/80/44/25/384804425.db2.gz OFAJCAZSGCFOKU-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO CCC(CC)c1cc(CNCc2[nH]cc[nH+]2)on1 ZINC000174547224 384805546 /nfs/dbraw/zinc/80/55/46/384805546.db2.gz CNPHYJZJYOALBM-UHFFFAOYSA-N 1 2 248.330 2.591 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2CCCOCC2)c1 ZINC000335474898 384876965 /nfs/dbraw/zinc/87/69/65/384876965.db2.gz IVBNORQAVNFTFT-UHFFFAOYSA-N 1 2 246.285 2.601 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2csnn2)c1 ZINC000398287057 384885799 /nfs/dbraw/zinc/88/57/99/384885799.db2.gz NTGQTHWPEGIAAT-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2csnn2)c1 ZINC000398286571 384887228 /nfs/dbraw/zinc/88/72/28/384887228.db2.gz NTGQTHWPEGIAAT-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000647200419 384888208 /nfs/dbraw/zinc/88/82/08/384888208.db2.gz GBYTZBSFRBRKKZ-GXFFZTMASA-N 1 2 232.327 2.550 20 0 BFADLO Fc1ccccc1C1([NH2+]Cc2cocn2)CCC1 ZINC000647237271 384854278 /nfs/dbraw/zinc/85/42/78/384854278.db2.gz NKNCLPONXGXHTA-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+][C@H](C)C2CC2)cc1 ZINC000647237548 384857359 /nfs/dbraw/zinc/85/73/59/384857359.db2.gz DILKCTAMILMKMW-LLVKDONJSA-N 1 2 242.326 2.786 20 0 BFADLO CCSCC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000127344394 384859585 /nfs/dbraw/zinc/85/95/85/384859585.db2.gz ZSQJAPRDXQEEAV-VIFPVBQESA-N 1 2 225.361 2.729 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]CC(C)C)cc1 ZINC000647237777 384860638 /nfs/dbraw/zinc/86/06/38/384860638.db2.gz VMQFDQNVWMVMJB-UHFFFAOYSA-N 1 2 230.315 2.644 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233868962 384865242 /nfs/dbraw/zinc/86/52/42/384865242.db2.gz DJYCWYMVZYXRIM-RQJHMYQMSA-N 1 2 228.727 2.559 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233868962 384865254 /nfs/dbraw/zinc/86/52/54/384865254.db2.gz DJYCWYMVZYXRIM-RQJHMYQMSA-N 1 2 228.727 2.559 20 0 BFADLO CO[C@H](C)c1nc(C[NH+]2CCCCC2)cs1 ZINC000175071009 384867198 /nfs/dbraw/zinc/86/71/98/384867198.db2.gz PVHHJTJXMNNKBG-SNVBAGLBSA-N 1 2 240.372 2.836 20 0 BFADLO C[N@H+](Cc1nccs1)Cc1cccc(F)c1 ZINC000175097565 384867872 /nfs/dbraw/zinc/86/78/72/384867872.db2.gz LLFDGMZLWOJLGO-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1nccs1)Cc1cccc(F)c1 ZINC000175097565 384867874 /nfs/dbraw/zinc/86/78/74/384867874.db2.gz LLFDGMZLWOJLGO-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO O[C@H]1CCCC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631093568 384869036 /nfs/dbraw/zinc/86/90/36/384869036.db2.gz LHJWQIQLUZAEHP-KBPBESRZSA-N 1 2 242.322 2.950 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CSC1(C)C ZINC000338423941 384868953 /nfs/dbraw/zinc/86/89/53/384868953.db2.gz UMEITGQFXGQDTG-LLVKDONJSA-N 1 2 247.367 2.879 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1cscn1 ZINC000127838988 384954653 /nfs/dbraw/zinc/95/46/53/384954653.db2.gz UXTPELLEQYTKJZ-VIFPVBQESA-N 1 2 234.324 2.700 20 0 BFADLO C[C@H]([NH2+]CC1CCSCC1)C(F)(F)F ZINC000308641985 384890826 /nfs/dbraw/zinc/89/08/26/384890826.db2.gz FFELTLIZUQDMDA-ZETCQYMHSA-N 1 2 227.295 2.670 20 0 BFADLO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000148605020 384896253 /nfs/dbraw/zinc/89/62/53/384896253.db2.gz FKERPSSHVSKCRK-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2csnn2)cc1 ZINC000398307405 384898985 /nfs/dbraw/zinc/89/89/85/384898985.db2.gz XJVPMMOBBVZCQG-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cc[nH+]c(NC[C@@H]2CC[C@@H](O)C2)c1Cl ZINC000336495860 384911093 /nfs/dbraw/zinc/91/10/93/384911093.db2.gz JDYVWADMBAZNPY-NXEZZACHSA-N 1 2 240.734 2.616 20 0 BFADLO CC(C)c1nc(NCCCOCC2CC2)cc[nH+]1 ZINC000106463053 384916044 /nfs/dbraw/zinc/91/60/44/384916044.db2.gz NOGHGHNVWJYSHD-UHFFFAOYSA-N 1 2 249.358 2.829 20 0 BFADLO C[C@H](O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000051821780 384918407 /nfs/dbraw/zinc/91/84/07/384918407.db2.gz JIKRZRRFMSMYEA-QMMMGPOBSA-N 1 2 248.153 2.806 20 0 BFADLO C[C@H](O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000051821780 384918415 /nfs/dbraw/zinc/91/84/15/384918415.db2.gz JIKRZRRFMSMYEA-QMMMGPOBSA-N 1 2 248.153 2.806 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177249066 384932333 /nfs/dbraw/zinc/93/23/33/384932333.db2.gz GOXMJVLFZDGWFW-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)C2(C)CC2)no1 ZINC000177249066 384932336 /nfs/dbraw/zinc/93/23/36/384932336.db2.gz GOXMJVLFZDGWFW-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177249046 384932558 /nfs/dbraw/zinc/93/25/58/384932558.db2.gz GOXMJVLFZDGWFW-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)C2(C)CC2)no1 ZINC000177249046 384932567 /nfs/dbraw/zinc/93/25/67/384932567.db2.gz GOXMJVLFZDGWFW-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO COCC[N@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448224388 384932822 /nfs/dbraw/zinc/93/28/22/384932822.db2.gz RDZCGRATUFMWRC-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO COCC[N@@H+](C)Cc1ncc(C(C)(C)C)s1 ZINC000448224388 384932829 /nfs/dbraw/zinc/93/28/29/384932829.db2.gz RDZCGRATUFMWRC-UHFFFAOYSA-N 1 2 242.388 2.519 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccns1)c1nccs1 ZINC000404436692 384994840 /nfs/dbraw/zinc/99/48/40/384994840.db2.gz CVGHKKRHRJEOJS-SECBINFHSA-N 1 2 239.369 2.841 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2ccns2)s1 ZINC000404482290 385015826 /nfs/dbraw/zinc/01/58/26/385015826.db2.gz XREIJECENHMUPY-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccns2)s1 ZINC000404482286 385018272 /nfs/dbraw/zinc/01/82/72/385018272.db2.gz XREIJECENHMUPY-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cnc[nH]1)CC2 ZINC000188663744 385075008 /nfs/dbraw/zinc/07/50/08/385075008.db2.gz JQKDRRHWEIMDND-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1cnc[nH]1)CC2 ZINC000188663744 385075013 /nfs/dbraw/zinc/07/50/13/385075013.db2.gz JQKDRRHWEIMDND-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1ccc(NC[C@@H]2CCC=CO2)c(C)[nH+]1 ZINC000087151740 385079314 /nfs/dbraw/zinc/07/93/14/385079314.db2.gz GAUUABPYRAGTPC-LBPRGKRZSA-N 1 2 218.300 2.803 20 0 BFADLO Cc1ccc(N[C@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC000087151814 385080293 /nfs/dbraw/zinc/08/02/93/385080293.db2.gz MWTVDXFIQCGUHM-JQWIXIFHSA-N 1 2 220.316 2.678 20 0 BFADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1nccs1 ZINC000086510416 385023848 /nfs/dbraw/zinc/02/38/48/385023848.db2.gz ODRURUQXOMJNKC-PWSUYJOCSA-N 1 2 248.351 2.527 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC[C@H](C)C1 ZINC000287529659 385108519 /nfs/dbraw/zinc/10/85/19/385108519.db2.gz NKOYKSUWFJLWSU-JTQLQIEISA-N 1 2 247.342 2.962 20 0 BFADLO CC1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CC1 ZINC000154640300 385115952 /nfs/dbraw/zinc/11/59/52/385115952.db2.gz LSGDYBMUADFLHA-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO CN(CC1CCCC1)c1cc[nH+]c(C2CC2)n1 ZINC000110379722 385121532 /nfs/dbraw/zinc/12/15/32/385121532.db2.gz PSFJQYPEOUMNRI-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(OC)cc1C ZINC000061566827 385121682 /nfs/dbraw/zinc/12/16/82/385121682.db2.gz YHTLWJPNKQBTSD-NSHDSACASA-N 1 2 223.316 2.841 20 0 BFADLO O=[S@](Cc1cn2ccccc2[nH+]1)C1CCCC1 ZINC000176636519 385123913 /nfs/dbraw/zinc/12/39/13/385123913.db2.gz KMDFNPACKKIEJR-QGZVFWFLSA-N 1 2 248.351 2.526 20 0 BFADLO Cc1ccoc1CNc1c[nH+]cc(C)c1 ZINC000119564744 385127265 /nfs/dbraw/zinc/12/72/65/385127265.db2.gz KKDJYYLTEIOQMB-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO CC(C)c1nnc(C[NH+]2CCC(C3CC3)CC2)[nH]1 ZINC000644718580 385138617 /nfs/dbraw/zinc/13/86/17/385138617.db2.gz IALAYCWTHFHOHA-UHFFFAOYSA-N 1 2 248.374 2.550 20 0 BFADLO CCOCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000128893067 385086108 /nfs/dbraw/zinc/08/61/08/385086108.db2.gz PLSPSKICASTUCR-UHFFFAOYSA-N 1 2 231.299 2.558 20 0 BFADLO CCc1nc(C)c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000644682181 385095936 /nfs/dbraw/zinc/09/59/36/385095936.db2.gz LCVOHDLMBDWXLK-KOLCDFICSA-N 1 2 240.322 2.725 20 0 BFADLO CCc1nc(C)c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000644682181 385095944 /nfs/dbraw/zinc/09/59/44/385095944.db2.gz LCVOHDLMBDWXLK-KOLCDFICSA-N 1 2 240.322 2.725 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000644682222 385097619 /nfs/dbraw/zinc/09/76/19/385097619.db2.gz WAFNJNOQVDZBBK-ZMLRMANQSA-N 1 2 237.322 2.526 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](C)[C@H](F)C2)cn1 ZINC000644682222 385097624 /nfs/dbraw/zinc/09/76/24/385097624.db2.gz WAFNJNOQVDZBBK-ZMLRMANQSA-N 1 2 237.322 2.526 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1oc(C)nc1C ZINC000644781007 385098338 /nfs/dbraw/zinc/09/83/38/385098338.db2.gz GIHHEDHGIATOTA-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1oc(C)nc1C ZINC000644781007 385098345 /nfs/dbraw/zinc/09/83/45/385098345.db2.gz GIHHEDHGIATOTA-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1cc([C@@H](C)Nc2ccc(C)[nH+]c2)no1 ZINC000279557475 385143093 /nfs/dbraw/zinc/14/30/93/385143093.db2.gz KAHIIFOJYKMZJW-SNVBAGLBSA-N 1 2 217.272 2.860 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@@]1(F)c1ccccc1)c1ncc[nH]1 ZINC000424327387 385165483 /nfs/dbraw/zinc/16/54/83/385165483.db2.gz PUJMPCZDTXCELN-VHRBIJSZSA-N 1 2 245.301 2.698 20 0 BFADLO C[C@H](N[C@H]1C[C@@]1(F)c1ccccc1)c1[nH]cc[nH+]1 ZINC000424327387 385165490 /nfs/dbraw/zinc/16/54/90/385165490.db2.gz PUJMPCZDTXCELN-VHRBIJSZSA-N 1 2 245.301 2.698 20 0 BFADLO Cn1c[nH+]cc1CN1CCc2ccc(Cl)cc21 ZINC000177028349 385171568 /nfs/dbraw/zinc/17/15/68/385171568.db2.gz ZHVZRXGUMAKXST-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)/C=C/C(C)(C)C ZINC000110094214 385208250 /nfs/dbraw/zinc/20/82/50/385208250.db2.gz YLXZXIHUBWWHTE-CMDGGOBGSA-N 1 2 247.342 2.688 20 0 BFADLO CN(Cc1ccccc1)c1cc[nH+]c(C2CC2)n1 ZINC000110110759 385210982 /nfs/dbraw/zinc/21/09/82/385210982.db2.gz UBIINIZSHQQJCI-UHFFFAOYSA-N 1 2 239.322 2.990 20 0 BFADLO CCCCN(C)c1cc(N2CCCCC2)nc[nH+]1 ZINC000110111118 385211679 /nfs/dbraw/zinc/21/16/79/385211679.db2.gz RCURDCNJAYFUOW-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO CCCCN(C)c1cc(N2CCCCC2)[nH+]cn1 ZINC000110111118 385211687 /nfs/dbraw/zinc/21/16/87/385211687.db2.gz RCURDCNJAYFUOW-UHFFFAOYSA-N 1 2 248.374 2.703 20 0 BFADLO COC(=O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162368 385223820 /nfs/dbraw/zinc/22/38/20/385223820.db2.gz MRNMHLAUGLEFEY-VIFPVBQESA-N 1 2 241.718 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162368 385223825 /nfs/dbraw/zinc/22/38/25/385223825.db2.gz MRNMHLAUGLEFEY-VIFPVBQESA-N 1 2 241.718 2.506 20 0 BFADLO Clc1nc(C[NH+]2CCCCC2)cs1 ZINC000290182188 385235432 /nfs/dbraw/zinc/23/54/32/385235432.db2.gz ZHJYHQVSNUHOQW-UHFFFAOYSA-N 1 2 216.737 2.782 20 0 BFADLO CCC[C@H](C)Sc1nc(N)cc(C)[nH+]1 ZINC000178411803 385247413 /nfs/dbraw/zinc/24/74/13/385247413.db2.gz OANKUFJLAONGLR-QMMMGPOBSA-N 1 2 211.334 2.648 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000110767981 385258375 /nfs/dbraw/zinc/25/83/75/385258375.db2.gz YODPAGMLVRVOEP-LBPRGKRZSA-N 1 2 248.326 2.678 20 0 BFADLO COC[C@H]([NH2+]Cc1ccccc1F)c1ccco1 ZINC000177573397 385263317 /nfs/dbraw/zinc/26/33/17/385263317.db2.gz KGRQQBKTMKHFDO-ZDUSSCGKSA-N 1 2 249.285 2.896 20 0 BFADLO CC[C@H](COC)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000153617469 385268763 /nfs/dbraw/zinc/26/87/63/385268763.db2.gz HOZLBLOPNRAMLP-CYBMUJFWSA-N 1 2 248.370 2.906 20 0 BFADLO CC[C@H](COC)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000153617469 385268767 /nfs/dbraw/zinc/26/87/67/385268767.db2.gz HOZLBLOPNRAMLP-CYBMUJFWSA-N 1 2 248.370 2.906 20 0 BFADLO CC[N@H+](CCC[C@H](C)O)c1ccccc1 ZINC000045619198 385270083 /nfs/dbraw/zinc/27/00/83/385270083.db2.gz VNYISBYXYGELSM-LBPRGKRZSA-N 1 2 207.317 2.674 20 0 BFADLO CC[N@@H+](CCC[C@H](C)O)c1ccccc1 ZINC000045619198 385270087 /nfs/dbraw/zinc/27/00/87/385270087.db2.gz VNYISBYXYGELSM-LBPRGKRZSA-N 1 2 207.317 2.674 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCCCCC1 ZINC000178798201 385332673 /nfs/dbraw/zinc/33/26/73/385332673.db2.gz FCLLAKOARRTYRU-UHFFFAOYSA-N 1 2 229.327 2.954 20 0 BFADLO CCOc1ccccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294167121 385340571 /nfs/dbraw/zinc/34/05/71/385340571.db2.gz RCGKERBSVAONDF-GFCCVEGCSA-N 1 2 243.310 2.839 20 0 BFADLO CS[C@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000154633003 385344701 /nfs/dbraw/zinc/34/47/01/385344701.db2.gz JSLHDTJPZHEQMY-NSHDSACASA-N 1 2 222.357 2.804 20 0 BFADLO COC(=O)C[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000131690325 385353142 /nfs/dbraw/zinc/35/31/42/385353142.db2.gz PYRLRALPUPTCGB-SECBINFHSA-N 1 2 249.335 2.725 20 0 BFADLO CC(C)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000131854045 385364649 /nfs/dbraw/zinc/36/46/49/385364649.db2.gz UDXZNKMREAVVEI-UHFFFAOYSA-N 1 2 236.315 2.853 20 0 BFADLO FCCC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178406446 385366234 /nfs/dbraw/zinc/36/62/34/385366234.db2.gz XEJOLLOEYOVJRZ-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000178406446 385366238 /nfs/dbraw/zinc/36/62/38/385366238.db2.gz XEJOLLOEYOVJRZ-CYBMUJFWSA-N 1 2 241.281 2.559 20 0 BFADLO COC(=O)[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000193094126 385382781 /nfs/dbraw/zinc/38/27/81/385382781.db2.gz GSRNGYGVZTZQMQ-SECBINFHSA-N 1 2 249.335 2.552 20 0 BFADLO C=Cn1cc(C[N@H+](C)Cc2ccc(C)o2)cn1 ZINC000193613132 385404252 /nfs/dbraw/zinc/40/42/52/385404252.db2.gz BYWNIQPRRNXOLT-UHFFFAOYSA-N 1 2 231.299 2.517 20 0 BFADLO C=Cn1cc(C[N@@H+](C)Cc2ccc(C)o2)cn1 ZINC000193613132 385404256 /nfs/dbraw/zinc/40/42/56/385404256.db2.gz BYWNIQPRRNXOLT-UHFFFAOYSA-N 1 2 231.299 2.517 20 0 BFADLO C[C@@H]([NH2+]CCF)c1nc(C(F)(F)F)cs1 ZINC000309145384 385438259 /nfs/dbraw/zinc/43/82/59/385438259.db2.gz VALHBYUZQQJJLV-RXMQYKEDSA-N 1 2 242.241 2.782 20 0 BFADLO CCOc1ccc([NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000195046451 385457657 /nfs/dbraw/zinc/45/76/57/385457657.db2.gz XFHKKRBPODSFJV-FZMZJTMJSA-N 1 2 235.327 2.922 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1F ZINC000449036315 385444492 /nfs/dbraw/zinc/44/44/92/385444492.db2.gz SVLSHJCTETUJPU-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1F ZINC000449036315 385444496 /nfs/dbraw/zinc/44/44/96/385444496.db2.gz SVLSHJCTETUJPU-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO CO[C@H](C)CCNc1[nH+]ccc(C)c1Cl ZINC000336766876 385452054 /nfs/dbraw/zinc/45/20/54/385452054.db2.gz RZOXUNWBXIFTCN-SECBINFHSA-N 1 2 228.723 2.880 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(C2CC2)on1 ZINC000170956794 385458434 /nfs/dbraw/zinc/45/84/34/385458434.db2.gz WMTAHGDAFCNRCS-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1cccc(F)c1F ZINC000182063736 385428719 /nfs/dbraw/zinc/42/87/19/385428719.db2.gz DIBOUQVYBCPBDA-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Fc1ccc(C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC000336222834 385478251 /nfs/dbraw/zinc/47/82/51/385478251.db2.gz OTNLSYKGAOCSGZ-JTQLQIEISA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC000336222834 385478253 /nfs/dbraw/zinc/47/82/53/385478253.db2.gz OTNLSYKGAOCSGZ-JTQLQIEISA-N 1 2 215.218 2.509 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1ccc(Cl)cc1 ZINC000179616208 385478283 /nfs/dbraw/zinc/47/82/83/385478283.db2.gz AVOOIZVVTNKXJM-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1ccc(Cl)cc1 ZINC000179616208 385478286 /nfs/dbraw/zinc/47/82/86/385478286.db2.gz AVOOIZVVTNKXJM-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1ccc(Cl)cc1 ZINC000179616208 385478289 /nfs/dbraw/zinc/47/82/89/385478289.db2.gz AVOOIZVVTNKXJM-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1ccc(Cl)cc1 ZINC000179616208 385478291 /nfs/dbraw/zinc/47/82/91/385478291.db2.gz AVOOIZVVTNKXJM-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO Cn1cc[nH+]c1CSc1cccs1 ZINC000109709037 385480013 /nfs/dbraw/zinc/48/00/13/385480013.db2.gz CTYVKCZHZIACMS-UHFFFAOYSA-N 1 2 210.327 2.774 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@H]1CC=CCC1 ZINC000092965860 385484190 /nfs/dbraw/zinc/48/41/90/385484190.db2.gz WJPLTDOVKRMAAS-NSHDSACASA-N 1 2 233.302 2.556 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@H]1CC=CCC1 ZINC000092965860 385484193 /nfs/dbraw/zinc/48/41/93/385484193.db2.gz WJPLTDOVKRMAAS-NSHDSACASA-N 1 2 233.302 2.556 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC(C)(C)C1 ZINC000179303944 385459811 /nfs/dbraw/zinc/45/98/11/385459811.db2.gz SJYCKCQUAWMDQV-UHFFFAOYSA-N 1 2 229.327 2.810 20 0 BFADLO C[C@H](C[C@@H]1CCCO1)Nc1cc[nH+]c(C2CC2)n1 ZINC000110484465 385493521 /nfs/dbraw/zinc/49/35/21/385493521.db2.gz VTKNNVUHXCZHST-PWSUYJOCSA-N 1 2 247.342 2.724 20 0 BFADLO CC[C@H]([NH2+]CC(=O)OC)C(C)(C)c1ccccc1 ZINC000180004679 385502481 /nfs/dbraw/zinc/50/24/81/385502481.db2.gz JPKKPYBDFBVULW-ZDUSSCGKSA-N 1 2 249.354 2.505 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2cnoc2C)s1 ZINC000336777593 385516529 /nfs/dbraw/zinc/51/65/29/385516529.db2.gz IYHBJNAEUSFWQT-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1nc(C[N@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000334185747 385516764 /nfs/dbraw/zinc/51/67/64/385516764.db2.gz FLYSUDFAOBYDEO-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1nc(C[N@@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000334185747 385516767 /nfs/dbraw/zinc/51/67/67/385516767.db2.gz FLYSUDFAOBYDEO-UHFFFAOYSA-N 1 2 235.331 2.556 20 0 BFADLO CCc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000109890270 385489920 /nfs/dbraw/zinc/48/99/20/385489920.db2.gz ORXBBEGSPGOOSC-UHFFFAOYSA-N 1 2 242.278 2.602 20 0 BFADLO CCO[C@@H](C)c1nc(C[N@H+](C)C2CC2)cs1 ZINC000172318819 385531301 /nfs/dbraw/zinc/53/13/01/385531301.db2.gz BEZJZSWNIRREKV-VIFPVBQESA-N 1 2 240.372 2.835 20 0 BFADLO CCO[C@@H](C)c1nc(C[N@@H+](C)C2CC2)cs1 ZINC000172318819 385531308 /nfs/dbraw/zinc/53/13/08/385531308.db2.gz BEZJZSWNIRREKV-VIFPVBQESA-N 1 2 240.372 2.835 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1ccccn1 ZINC000171810564 385518694 /nfs/dbraw/zinc/51/86/94/385518694.db2.gz PCRQFKGOMRLPMS-SNVBAGLBSA-N 1 2 240.310 2.922 20 0 BFADLO c1cc(N2CCC(C3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000644136535 385520317 /nfs/dbraw/zinc/52/03/17/385520317.db2.gz PGEKOIMSXUJXRP-UHFFFAOYSA-N 1 2 243.354 2.980 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107285767 385562372 /nfs/dbraw/zinc/56/23/72/385562372.db2.gz DAPZGRGZAYPPOA-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO Cc1cc[nH+]c(NCC2(CCO)CC2)c1Cl ZINC000336676612 385604907 /nfs/dbraw/zinc/60/49/07/385604907.db2.gz BSHKQXSNVAARRS-UHFFFAOYSA-N 1 2 240.734 2.618 20 0 BFADLO Cc1ccncc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000269654366 385618728 /nfs/dbraw/zinc/61/87/28/385618728.db2.gz HFQLWZREHNAQLN-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccncc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000269654366 385618732 /nfs/dbraw/zinc/61/87/32/385618732.db2.gz HFQLWZREHNAQLN-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO CC(C)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000281136582 385637918 /nfs/dbraw/zinc/63/79/18/385637918.db2.gz YXFIELUCYNXULB-UHFFFAOYSA-N 1 2 246.314 2.502 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccon2)o1 ZINC000336734302 385660329 /nfs/dbraw/zinc/66/03/29/385660329.db2.gz HFPSGRUDBSUNNY-VHSXEESVSA-N 1 2 220.272 2.988 20 0 BFADLO C[C@H](CNc1ccc(CO)c[nH+]1)C1CCCCC1 ZINC000647912994 385683081 /nfs/dbraw/zinc/68/30/81/385683081.db2.gz GQQYPDRWRSDLIK-GFCCVEGCSA-N 1 2 248.370 2.624 20 0 BFADLO COC[C@@H](CC(C)C)Nc1c[nH+]cc(C)c1 ZINC000309552789 385683914 /nfs/dbraw/zinc/68/39/14/385683914.db2.gz IUUMACJZSYWTHZ-CYBMUJFWSA-N 1 2 222.332 2.863 20 0 BFADLO CCc1ccc([C@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184712308 385703131 /nfs/dbraw/zinc/70/31/31/385703131.db2.gz GXXVYSWHIGORAP-JTQLQIEISA-N 1 2 243.297 2.527 20 0 BFADLO CCCCc1noc(C[N@H+]2CC=C(C)CC2)n1 ZINC000270393050 385703500 /nfs/dbraw/zinc/70/35/00/385703500.db2.gz YMUOPMLTCKSIMH-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO CCCCc1noc(C[N@@H+]2CC=C(C)CC2)n1 ZINC000270393050 385703509 /nfs/dbraw/zinc/70/35/09/385703509.db2.gz YMUOPMLTCKSIMH-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C1CCCC1 ZINC000270439205 385708415 /nfs/dbraw/zinc/70/84/15/385708415.db2.gz QLANCCPRRNKXJB-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1cc(C)cc([C@H](O)CNc2cccc[nH+]2)c1 ZINC000282270801 385748321 /nfs/dbraw/zinc/74/83/21/385748321.db2.gz OPDDLVIJRSIVPG-CQSZACIVSA-N 1 2 242.322 2.844 20 0 BFADLO Cc1csc([C@@H]([NH2+]Cc2ccon2)C2CC2)n1 ZINC000183510535 385767857 /nfs/dbraw/zinc/76/78/57/385767857.db2.gz ALAUXOPYPXJMFO-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO C[C@@H]([NH2+]CCF)c1c(F)cccc1F ZINC000336702166 385767890 /nfs/dbraw/zinc/76/78/90/385767890.db2.gz YTCSURKNKWPOIT-SSDOTTSWSA-N 1 2 203.207 2.585 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)o1 ZINC000397925571 385820282 /nfs/dbraw/zinc/82/02/82/385820282.db2.gz QYFWLKQLKBDBSU-TVQRCGJNSA-N 1 2 246.310 2.989 20 0 BFADLO FC(F)(F)[C@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000336737938 385825065 /nfs/dbraw/zinc/82/50/65/385825065.db2.gz QVMMXGSTAFFHTK-IONNQARKSA-N 1 2 239.306 2.670 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1nccs1 ZINC000271442315 385828152 /nfs/dbraw/zinc/82/81/52/385828152.db2.gz CJTZTZLZDORVNB-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1nccs1 ZINC000271442315 385828155 /nfs/dbraw/zinc/82/81/55/385828155.db2.gz CJTZTZLZDORVNB-WPRPVWTQSA-N 1 2 248.355 2.594 20 0 BFADLO CCCC[C@](C)(CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000645343365 385841244 /nfs/dbraw/zinc/84/12/44/385841244.db2.gz BLYKWERWYZUVGH-CQSZACIVSA-N 1 2 249.358 2.707 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@H]2c2ccco2)cc[nH+]1 ZINC000413602475 385844237 /nfs/dbraw/zinc/84/42/37/385844237.db2.gz JOXFGQWYAVEYPE-GHMZBOCLSA-N 1 2 243.310 2.583 20 0 BFADLO CCCCC[C@H](CC)C(=O)NCc1[nH]cc[nH+]1 ZINC000271772627 385849352 /nfs/dbraw/zinc/84/93/52/385849352.db2.gz GKAUOSYIWOIUGC-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)CC(F)F)c(C)[nH+]1 ZINC000413621256 385850805 /nfs/dbraw/zinc/85/08/05/385850805.db2.gz QOVPUNNUDRKSCU-SSDOTTSWSA-N 1 2 242.269 2.928 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000271793480 385850755 /nfs/dbraw/zinc/85/07/55/385850755.db2.gz RBWOBBDEEUUXLN-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CSCCCNc1cc[nH+]c(C2CC2)n1 ZINC000123048342 385851497 /nfs/dbraw/zinc/85/14/97/385851497.db2.gz LPJIRKQVERSKCV-UHFFFAOYSA-N 1 2 223.345 2.519 20 0 BFADLO Cc1nonc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000271830211 385853562 /nfs/dbraw/zinc/85/35/62/385853562.db2.gz UHSMXILAUWPHFT-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCCc1ccncc1 ZINC000353197747 385792693 /nfs/dbraw/zinc/79/26/93/385792693.db2.gz WRPDQNZRGNJUCJ-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000353197747 385792697 /nfs/dbraw/zinc/79/26/97/385792697.db2.gz WRPDQNZRGNJUCJ-LBPRGKRZSA-N 1 2 240.297 2.744 20 0 BFADLO CC(C)c1nc(N2CC(CC(F)F)C2)cc[nH+]1 ZINC000425290442 385906338 /nfs/dbraw/zinc/90/63/38/385906338.db2.gz XNYGXQBCCFMMIE-UHFFFAOYSA-N 1 2 241.285 2.691 20 0 BFADLO FC(F)(F)[C@H]([NH2+]C1CCSCC1)C1CC1 ZINC000336721404 385910354 /nfs/dbraw/zinc/91/03/54/385910354.db2.gz DJWLOQTXPRQVGG-SECBINFHSA-N 1 2 239.306 2.813 20 0 BFADLO CC[C@H](NC(=O)CCCC1CC1)c1[nH]cc[nH+]1 ZINC000643244899 385913877 /nfs/dbraw/zinc/91/38/77/385913877.db2.gz NUQURWLRFWOPOM-NSHDSACASA-N 1 2 235.331 2.557 20 0 BFADLO C[C@@H](CC(C)(C)O)Nc1cc[nH+]c2ccncc12 ZINC000294910301 385914253 /nfs/dbraw/zinc/91/42/53/385914253.db2.gz FRDIZVRUAGJAOY-JTQLQIEISA-N 1 2 245.326 2.591 20 0 BFADLO Cl/C=C/C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285368567 385918568 /nfs/dbraw/zinc/91/85/68/385918568.db2.gz MIDFGCRZOVZZJH-GQOHGMTASA-N 1 2 225.723 2.689 20 0 BFADLO Cl/C=C/C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285368567 385918575 /nfs/dbraw/zinc/91/85/75/385918575.db2.gz MIDFGCRZOVZZJH-GQOHGMTASA-N 1 2 225.723 2.689 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@@](C)(F)C1 ZINC000294942770 385920599 /nfs/dbraw/zinc/92/05/99/385920599.db2.gz LQUMXWACQLWVFR-CQSZACIVSA-N 1 2 247.317 2.902 20 0 BFADLO CCN(CCCn1cc[nH+]c1)c1ccccc1F ZINC000271912012 385861721 /nfs/dbraw/zinc/86/17/21/385861721.db2.gz IOZSLUPOQKIENH-UHFFFAOYSA-N 1 2 247.317 2.939 20 0 BFADLO CC(C)c1nc(NCCC2=CCCC2)cc[nH+]1 ZINC000338044453 385880737 /nfs/dbraw/zinc/88/07/37/385880737.db2.gz MLPLQCNYJGGPMQ-UHFFFAOYSA-N 1 2 231.343 2.934 20 0 BFADLO C[C@H]1CC[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000345077311 385987883 /nfs/dbraw/zinc/98/78/83/385987883.db2.gz OQGUGTPIDKIJRR-WDEREUQCSA-N 1 2 247.342 2.522 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000414053619 385934559 /nfs/dbraw/zinc/93/45/59/385934559.db2.gz AXIMKRXAAAKMNG-WDEREUQCSA-N 1 2 233.315 2.733 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1cccnc1 ZINC000272808654 385938653 /nfs/dbraw/zinc/93/86/53/385938653.db2.gz GLUQCJFGGTVPKN-SNVBAGLBSA-N 1 2 243.310 2.798 20 0 BFADLO CC[NH+](CC)Cc1c(F)ccc(O)c1F ZINC000295010521 385941347 /nfs/dbraw/zinc/94/13/47/385941347.db2.gz VNJMZAKHAKRYNT-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO Cc1nocc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000295224533 385993771 /nfs/dbraw/zinc/99/37/71/385993771.db2.gz CCPMVUANSUBOSO-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Fc1cccc(SCCn2cc[nH+]c2)c1 ZINC000342199325 385954472 /nfs/dbraw/zinc/95/44/72/385954472.db2.gz AHUUOMJNKIPVIH-UHFFFAOYSA-N 1 2 222.288 2.815 20 0 BFADLO Cc1nocc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000295224533 385993772 /nfs/dbraw/zinc/99/37/72/385993772.db2.gz CCPMVUANSUBOSO-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO CC[C@@H](F)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000336746897 385965653 /nfs/dbraw/zinc/96/56/53/385965653.db2.gz WYVBHQSZANNLKA-HTQZYQBOSA-N 1 2 232.249 2.759 20 0 BFADLO Cc1ccc(C[S@@](=O)CC(C)(C)C)c(C)[nH+]1 ZINC000414243493 386055882 /nfs/dbraw/zinc/05/58/82/386055882.db2.gz OXUQGFPTGUFNKN-MRXNPFEDSA-N 1 2 239.384 2.993 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc(C(F)F)c1 ZINC000124316788 386023544 /nfs/dbraw/zinc/02/35/44/386023544.db2.gz FIMCDMGFSUBQGC-UHFFFAOYSA-N 1 2 237.253 2.970 20 0 BFADLO CC(C)[C@@H](N[C@H](C)c1[nH+]ccn1C)C(F)(F)F ZINC000345164732 386024850 /nfs/dbraw/zinc/02/48/50/386024850.db2.gz XHHMAYFBKWXJIG-RKDXNWHRSA-N 1 2 249.280 2.658 20 0 BFADLO CSCc1cnc(C[N@H+](C)C2CC2)s1 ZINC000295399471 386025903 /nfs/dbraw/zinc/02/59/03/386025903.db2.gz QNBGWXNZJJSDRM-UHFFFAOYSA-N 1 2 228.386 2.600 20 0 BFADLO CSCc1cnc(C[N@@H+](C)C2CC2)s1 ZINC000295399471 386025907 /nfs/dbraw/zinc/02/59/07/386025907.db2.gz QNBGWXNZJJSDRM-UHFFFAOYSA-N 1 2 228.386 2.600 20 0 BFADLO CC(C)[N@H+](Cc1ccco1)Cc1cnns1 ZINC000295464479 386037983 /nfs/dbraw/zinc/03/79/83/386037983.db2.gz IEBGGCMMWVJTKR-UHFFFAOYSA-N 1 2 237.328 2.542 20 0 BFADLO CC(C)[N@@H+](Cc1ccco1)Cc1cnns1 ZINC000295464479 386037986 /nfs/dbraw/zinc/03/79/86/386037986.db2.gz IEBGGCMMWVJTKR-UHFFFAOYSA-N 1 2 237.328 2.542 20 0 BFADLO COC(=O)[C@@H](CC(C)C)[NH+]1Cc2ccccc2C1 ZINC000286433359 386039313 /nfs/dbraw/zinc/03/93/13/386039313.db2.gz MZIXVXYJEAQSFO-CQSZACIVSA-N 1 2 247.338 2.590 20 0 BFADLO CC[C@H]1CCC[C@@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000414203230 386039913 /nfs/dbraw/zinc/03/99/13/386039913.db2.gz NKZDTUPLPCKCPE-SMDDNHRTSA-N 1 2 238.375 2.513 20 0 BFADLO Cc1ccc(Cc2noc(C(C)(C)F)n2)c[nH+]1 ZINC000273862138 386045833 /nfs/dbraw/zinc/04/58/33/386045833.db2.gz DTKSWLKCEXFJBR-UHFFFAOYSA-N 1 2 235.262 2.568 20 0 BFADLO O=C(C1CCCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000334437876 386046024 /nfs/dbraw/zinc/04/60/24/386046024.db2.gz ITIIAFRRRPKVHJ-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO CCC1(c2nc(Cc3ccc(C)[nH+]c3)no2)CC1 ZINC000273925988 386051582 /nfs/dbraw/zinc/05/15/82/386051582.db2.gz LNLSXELYOUOBGV-UHFFFAOYSA-N 1 2 243.310 2.805 20 0 BFADLO Fc1ccccc1CC[N@H+]1CCC=C(F)C1 ZINC000274447508 386105135 /nfs/dbraw/zinc/10/51/35/386105135.db2.gz DLMQLQOBTKCBHV-UHFFFAOYSA-N 1 2 223.266 2.927 20 0 BFADLO Fc1ccccc1CC[N@@H+]1CCC=C(F)C1 ZINC000274447508 386105138 /nfs/dbraw/zinc/10/51/38/386105138.db2.gz DLMQLQOBTKCBHV-UHFFFAOYSA-N 1 2 223.266 2.927 20 0 BFADLO CCSc1cccc(C[NH2+]Cc2ccn[nH]2)c1 ZINC000274462483 386108381 /nfs/dbraw/zinc/10/83/81/386108381.db2.gz TVUBFCIPLJHCLK-UHFFFAOYSA-N 1 2 247.367 2.812 20 0 BFADLO CSc1ccc(NCc2ccoc2C)[nH+]c1 ZINC000414307206 386111837 /nfs/dbraw/zinc/11/18/37/386111837.db2.gz YKRCVLQFEBIYQR-UHFFFAOYSA-N 1 2 234.324 2.739 20 0 BFADLO COc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000274502255 386112351 /nfs/dbraw/zinc/11/23/51/386112351.db2.gz SCKDEPGADVMQAG-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO COc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000274502255 386112355 /nfs/dbraw/zinc/11/23/55/386112355.db2.gz SCKDEPGADVMQAG-UHFFFAOYSA-N 1 2 221.275 2.754 20 0 BFADLO Clc1cccc2c1CN(Cc1c[nH+]c[nH]1)C2 ZINC000287352296 386115269 /nfs/dbraw/zinc/11/52/69/386115269.db2.gz LMNQMNGOWWSKAH-UHFFFAOYSA-N 1 2 233.702 2.579 20 0 BFADLO Clc1cccc2c1CN(Cc1c[nH]c[nH+]1)C2 ZINC000287352296 386115275 /nfs/dbraw/zinc/11/52/75/386115275.db2.gz LMNQMNGOWWSKAH-UHFFFAOYSA-N 1 2 233.702 2.579 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC(F)C3)C2)c(F)c1 ZINC000647930003 386121296 /nfs/dbraw/zinc/12/12/96/386121296.db2.gz LNBHUFKDOSLTTM-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO CC[C@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274018138 386062325 /nfs/dbraw/zinc/06/23/25/386062325.db2.gz WYIFYBGARMOEAP-VIFPVBQESA-N 1 2 231.299 2.877 20 0 BFADLO COC(=O)C(C)(C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000501491764 533159002 /nfs/dbraw/zinc/15/90/02/533159002.db2.gz PBKLCXMJRUIWFG-ZRDIBKRKSA-N 1 2 247.338 2.631 20 0 BFADLO COC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000129538090 386082882 /nfs/dbraw/zinc/08/28/82/386082882.db2.gz FXUHFOMFAROXFP-NSHDSACASA-N 1 2 249.358 2.611 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2C)no1 ZINC000223642956 386091947 /nfs/dbraw/zinc/09/19/47/386091947.db2.gz CZAOMJOTKXTMIK-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(N[C@@H]2C[C@]2(C)c2ccccc2)nc[nH+]1 ZINC000608089296 386100064 /nfs/dbraw/zinc/10/00/64/386100064.db2.gz LCOXQLNHDVIPSE-UKRRQHHQSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(N[C@@H](C)CCCCO)nc(C2CC2)[nH+]1 ZINC000296207320 386151927 /nfs/dbraw/zinc/15/19/27/386151927.db2.gz FVCGMFVVISMURQ-JTQLQIEISA-N 1 2 249.358 2.625 20 0 BFADLO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccco1 ZINC000353881038 386155865 /nfs/dbraw/zinc/15/58/65/386155865.db2.gz PJNHYHGFVHYUAX-MFKMUULPSA-N 1 2 245.326 2.815 20 0 BFADLO Cc1ccc([N@H+](C)CCCCCO)cc1C ZINC000263819480 386180434 /nfs/dbraw/zinc/18/04/34/386180434.db2.gz ZHJLNHLMYDVLSW-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1ccc([N@@H+](C)CCCCCO)cc1C ZINC000263819480 386180437 /nfs/dbraw/zinc/18/04/37/386180437.db2.gz ZHJLNHLMYDVLSW-UHFFFAOYSA-N 1 2 221.344 2.902 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncc(F)c2)o1 ZINC000275155334 386185492 /nfs/dbraw/zinc/18/54/92/386185492.db2.gz UVXDIHXKJURDAA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncc(F)c2)o1 ZINC000275155334 386185496 /nfs/dbraw/zinc/18/54/96/386185496.db2.gz UVXDIHXKJURDAA-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO FC(F)(C[NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000353222879 386186468 /nfs/dbraw/zinc/18/64/68/386186468.db2.gz RJXMUODTFATXBE-UHFFFAOYSA-N 1 2 236.265 2.896 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263902932 386188104 /nfs/dbraw/zinc/18/81/04/386188104.db2.gz DLEOAFYAKYUZCJ-SECBINFHSA-N 1 2 246.314 2.563 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccncc2)co1 ZINC000647969595 386203946 /nfs/dbraw/zinc/20/39/46/386203946.db2.gz FXJRJURLJDNBIF-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccncc2)co1 ZINC000647969595 386203947 /nfs/dbraw/zinc/20/39/47/386203947.db2.gz FXJRJURLJDNBIF-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO C[C@H](CF)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000288471049 386205385 /nfs/dbraw/zinc/20/53/85/386205385.db2.gz OVXBJEIHLNMRNA-SNVBAGLBSA-N 1 2 233.290 2.524 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn[nH]1)CCC2 ZINC000288545772 386213997 /nfs/dbraw/zinc/21/39/97/386213997.db2.gz XCOAVJKGCNOPRR-HNNXBMFYSA-N 1 2 241.338 2.885 20 0 BFADLO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cscn1 ZINC000288619594 386223472 /nfs/dbraw/zinc/22/34/72/386223472.db2.gz RLNZLNKFGAJKLR-NOZJJQNGSA-N 1 2 246.335 2.755 20 0 BFADLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(F)cc2)no1 ZINC000264319164 386227232 /nfs/dbraw/zinc/22/72/32/386227232.db2.gz MXVTZMJJBZVHGE-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C)cc2)no1 ZINC000264445327 386237695 /nfs/dbraw/zinc/23/76/95/386237695.db2.gz ZOMDNABIKZMVRV-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO CCc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)nc1 ZINC000339078427 386238838 /nfs/dbraw/zinc/23/88/38/386238838.db2.gz XVFKUNNIAUDOBD-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)nc1 ZINC000339078427 386238841 /nfs/dbraw/zinc/23/88/41/386238841.db2.gz XVFKUNNIAUDOBD-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO CC(C)CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000275882540 386248443 /nfs/dbraw/zinc/24/84/43/386248443.db2.gz QNTMEVMRWPECAK-ZDUSSCGKSA-N 1 2 244.342 2.530 20 0 BFADLO FC(F)C[NH2+]Cc1ccc2occc2c1 ZINC000298120695 386300582 /nfs/dbraw/zinc/30/05/82/386300582.db2.gz PFSIVGGVTWGGLL-UHFFFAOYSA-N 1 2 211.211 2.788 20 0 BFADLO Cc1ccc(NCc2cnn(C(C)C)c2)c[nH+]1 ZINC000226455883 386309392 /nfs/dbraw/zinc/30/93/92/386309392.db2.gz HRHQNYJJYAQBKH-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CCC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527551 386313571 /nfs/dbraw/zinc/31/35/71/386313571.db2.gz NCQCTFOBLBNXPJ-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO CCC[N@@H+](Cc1ccccc1Cl)C1COC1 ZINC000425527551 386313578 /nfs/dbraw/zinc/31/35/78/386313578.db2.gz NCQCTFOBLBNXPJ-UHFFFAOYSA-N 1 2 239.746 2.951 20 0 BFADLO Cc1cn2cc(NC(=O)CCC3CC3)ccc2[nH+]1 ZINC000265252542 386320862 /nfs/dbraw/zinc/32/08/62/386320862.db2.gz ZTHZIQWQNKWZGE-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO CC(C)[C@@H]([NH2+][C@H](C)C1CC1)C(F)(F)F ZINC000336651079 386265512 /nfs/dbraw/zinc/26/55/12/386265512.db2.gz JJLDBUPQERETCO-VXNVDRBHSA-N 1 2 209.255 2.961 20 0 BFADLO CS[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000340580945 386279517 /nfs/dbraw/zinc/27/95/17/386279517.db2.gz OBENRFXUAGSSFW-SSDOTTSWSA-N 1 2 249.339 2.561 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000265441662 386339939 /nfs/dbraw/zinc/33/99/39/386339939.db2.gz QFIDYPXOHCBPKM-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000265441662 386339942 /nfs/dbraw/zinc/33/99/42/386339942.db2.gz QFIDYPXOHCBPKM-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO C[C@](O)(CNc1cccc[nH+]1)C1CCCCC1 ZINC000276678301 386361742 /nfs/dbraw/zinc/36/17/42/386361742.db2.gz FNQDOWLBQBLOMX-AWEZNQCLSA-N 1 2 234.343 2.825 20 0 BFADLO CCC[C@H](C)C(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000276665858 386362192 /nfs/dbraw/zinc/36/21/92/386362192.db2.gz UGNKMOTUECKEHO-QWRGUYRKSA-N 1 2 237.347 2.659 20 0 BFADLO Clc1ccc2c(c1)CC[N@@H+](Cc1ccno1)C2 ZINC000276868459 386387074 /nfs/dbraw/zinc/38/70/74/386387074.db2.gz XUUQEUOWTLEFKJ-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO Clc1ccc2c(c1)CC[N@H+](Cc1ccno1)C2 ZINC000276868459 386387078 /nfs/dbraw/zinc/38/70/78/386387078.db2.gz XUUQEUOWTLEFKJ-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO C[N@H+](CCSc1ccccc1)Cc1ccon1 ZINC000265788910 386371116 /nfs/dbraw/zinc/37/11/16/386371116.db2.gz LYVNNYZJOAHRER-UHFFFAOYSA-N 1 2 248.351 2.899 20 0 BFADLO C[N@@H+](CCSc1ccccc1)Cc1ccon1 ZINC000265788910 386371125 /nfs/dbraw/zinc/37/11/25/386371125.db2.gz LYVNNYZJOAHRER-UHFFFAOYSA-N 1 2 248.351 2.899 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1noc(-c2ccccc2)n1 ZINC000334495524 386376939 /nfs/dbraw/zinc/37/69/39/386376939.db2.gz JQEFCYJKMDSQPC-QWRGUYRKSA-N 1 2 243.310 2.719 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000347391588 386379310 /nfs/dbraw/zinc/37/93/10/386379310.db2.gz SYNYSVXBBMAPCI-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CC[C@](C)(F)C1 ZINC000347391588 386379318 /nfs/dbraw/zinc/37/93/18/386379318.db2.gz SYNYSVXBBMAPCI-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO CCC[C@H](O)CSc1[nH+]cc2ccccn21 ZINC000298340908 386327780 /nfs/dbraw/zinc/32/77/80/386327780.db2.gz ODWORNLKNNAGRH-NSHDSACASA-N 1 2 236.340 2.587 20 0 BFADLO c1coc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289575650 386329801 /nfs/dbraw/zinc/32/98/01/386329801.db2.gz SUVWCBCJEFGIGY-CYBMUJFWSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000289575650 386329806 /nfs/dbraw/zinc/32/98/06/386329806.db2.gz SUVWCBCJEFGIGY-CYBMUJFWSA-N 1 2 231.299 2.730 20 0 BFADLO CCC[C@](C)(O)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265387436 386332430 /nfs/dbraw/zinc/33/24/30/386332430.db2.gz SPTBAUJLJDGORK-AWEZNQCLSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1csc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000289664160 386339352 /nfs/dbraw/zinc/33/93/52/386339352.db2.gz FMULMODNPMNQOS-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1csc(C[N@H+]2CCC(F)(F)[C@H](C)C2)n1 ZINC000289664160 386339357 /nfs/dbraw/zinc/33/93/57/386339357.db2.gz FMULMODNPMNQOS-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000290449621 386437261 /nfs/dbraw/zinc/43/72/61/386437261.db2.gz OLFMCRNIENBMHZ-DOMZBBRYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000290449621 386437268 /nfs/dbraw/zinc/43/72/68/386437268.db2.gz OLFMCRNIENBMHZ-DOMZBBRYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccco2)C(C)C)no1 ZINC000299352895 386443314 /nfs/dbraw/zinc/44/33/14/386443314.db2.gz HGSDJGTWOQDMSS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccco2)C(C)C)no1 ZINC000299352895 386443318 /nfs/dbraw/zinc/44/33/18/386443318.db2.gz HGSDJGTWOQDMSS-UHFFFAOYSA-N 1 2 234.299 2.987 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000290484256 386443816 /nfs/dbraw/zinc/44/38/16/386443816.db2.gz RCLPIXLIBVSTGU-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2sccc2[C@H]1C ZINC000290484256 386443821 /nfs/dbraw/zinc/44/38/21/386443821.db2.gz RCLPIXLIBVSTGU-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000290484256 386443841 /nfs/dbraw/zinc/44/38/41/386443841.db2.gz RCLPIXLIBVSTGU-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CCc2sccc2[C@H]1C ZINC000290484256 386443846 /nfs/dbraw/zinc/44/38/46/386443846.db2.gz RCLPIXLIBVSTGU-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO CCCc1csc(C[NH2+]Cc2ccco2)n1 ZINC000336778053 386446299 /nfs/dbraw/zinc/44/62/99/386446299.db2.gz KHLUZFSAAXHSAM-UHFFFAOYSA-N 1 2 236.340 2.978 20 0 BFADLO CC(C)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266157781 386406095 /nfs/dbraw/zinc/40/60/95/386406095.db2.gz NHTUMXKXAWMRHH-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO C[C@H](O)CC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000266191125 386411258 /nfs/dbraw/zinc/41/12/58/386411258.db2.gz BNHFIBJRHFSBOV-JTQLQIEISA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000277168508 386413860 /nfs/dbraw/zinc/41/38/60/386413860.db2.gz HMOWIIRPYYLSSX-VHSXEESVSA-N 1 2 248.330 2.762 20 0 BFADLO CO[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000266249149 386415695 /nfs/dbraw/zinc/41/56/95/386415695.db2.gz MRDKDYJTWLRGCJ-NWDGAFQWSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)oc1C ZINC000299130040 386417049 /nfs/dbraw/zinc/41/70/49/386417049.db2.gz LEXJAPVFMDJOSD-CYBMUJFWSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)oc1C ZINC000299130040 386417052 /nfs/dbraw/zinc/41/70/52/386417052.db2.gz LEXJAPVFMDJOSD-CYBMUJFWSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)nc1 ZINC000336709025 386419269 /nfs/dbraw/zinc/41/92/69/386419269.db2.gz PLZJRHBMKVHESU-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccco2)nc1 ZINC000336709025 386419275 /nfs/dbraw/zinc/41/92/75/386419275.db2.gz PLZJRHBMKVHESU-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCCc1nc(C[N@H+](CC)CCOC)cs1 ZINC000299205455 386424552 /nfs/dbraw/zinc/42/45/52/386424552.db2.gz QRMHBQAWEANPNG-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CCCc1nc(C[N@@H+](CC)CCOC)cs1 ZINC000299205455 386424558 /nfs/dbraw/zinc/42/45/58/386424558.db2.gz QRMHBQAWEANPNG-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](Cc1ccco1)C(C)C ZINC000290393014 386430423 /nfs/dbraw/zinc/43/04/23/386430423.db2.gz JQHKIWRQOMRADT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1cn[nH]c1C[N@H+](Cc1ccco1)C(C)C ZINC000290393014 386430431 /nfs/dbraw/zinc/43/04/31/386430431.db2.gz JQHKIWRQOMRADT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1c[nH]nc1C[N@@H+](Cc1ccco1)C(C)C ZINC000290393014 386430437 /nfs/dbraw/zinc/43/04/37/386430437.db2.gz JQHKIWRQOMRADT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1c[nH]nc1C[N@H+](Cc1ccco1)C(C)C ZINC000290393014 386430441 /nfs/dbraw/zinc/43/04/41/386430441.db2.gz JQHKIWRQOMRADT-UHFFFAOYSA-N 1 2 233.315 2.722 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)cc2F)n1 ZINC000639097549 386431032 /nfs/dbraw/zinc/43/10/32/386431032.db2.gz MKBSKHYAOVFLAX-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO C[C@H]([NH+]=c1[nH]c2ccc(F)cc2n1C)C1CCC1 ZINC000644863932 386467314 /nfs/dbraw/zinc/46/73/14/386467314.db2.gz INKRCPREIKNIHR-VIFPVBQESA-N 1 2 247.317 2.735 20 0 BFADLO CC[N@H+](C[C@H]1CCOC1)c1ccccc1C ZINC000339579510 386473352 /nfs/dbraw/zinc/47/33/52/386473352.db2.gz CPKBAWUFXPLWOF-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](C[C@H]1CCOC1)c1ccccc1C ZINC000339579510 386473356 /nfs/dbraw/zinc/47/33/56/386473356.db2.gz CPKBAWUFXPLWOF-CYBMUJFWSA-N 1 2 219.328 2.858 20 0 BFADLO CC(C)(O)CCSc1[nH+]cc2ccccn21 ZINC000266870403 386475352 /nfs/dbraw/zinc/47/53/52/386475352.db2.gz XPFIBPBLILWNHV-UHFFFAOYSA-N 1 2 236.340 2.587 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cncc3C2)c(C)c1 ZINC000291003807 386499490 /nfs/dbraw/zinc/49/94/90/386499490.db2.gz BDFYHQCWLNSKQO-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cncc3C2)c(C)c1 ZINC000291003807 386499497 /nfs/dbraw/zinc/49/94/97/386499497.db2.gz BDFYHQCWLNSKQO-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(CN2CCn3c[nH+]cc3C2)c(C)c1 ZINC000291003807 386499502 /nfs/dbraw/zinc/49/95/02/386499502.db2.gz BDFYHQCWLNSKQO-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000278355128 386513080 /nfs/dbraw/zinc/51/30/80/386513080.db2.gz ZUSIVFDLVOOTIH-SECBINFHSA-N 1 2 249.266 2.510 20 0 BFADLO Cc1ccncc1CNc1ccc[nH+]c1C ZINC000135465412 386513964 /nfs/dbraw/zinc/51/39/64/386513964.db2.gz QATJNCJZEKSJNB-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC1CC(C)(C)C1 ZINC000336376787 386525532 /nfs/dbraw/zinc/52/55/32/386525532.db2.gz RTMFUUJXKQJYMF-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO O=C(CCn1cc[nH+]c1)NC1CCCCCCC1 ZINC000072619729 386525780 /nfs/dbraw/zinc/52/57/80/386525780.db2.gz QABGHYKKCYLEDE-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO Cc1nonc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000267327198 386525875 /nfs/dbraw/zinc/52/58/75/386525875.db2.gz INZQUVUWVYCWQU-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000267327198 386525882 /nfs/dbraw/zinc/52/58/82/386525882.db2.gz INZQUVUWVYCWQU-YGRLFVJLSA-N 1 2 243.310 2.571 20 0 BFADLO COc1cc(C)c(NCc2[nH]cc[nH+]2)cc1C ZINC000277656536 386456387 /nfs/dbraw/zinc/45/63/87/386456387.db2.gz GEFRLJGJNPJVJD-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO CC(C)(C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290610497 386458343 /nfs/dbraw/zinc/45/83/43/386458343.db2.gz HYMBRKGSJWHCDH-UHFFFAOYSA-N 1 2 246.314 2.502 20 0 BFADLO CCCc1nc(C[N@H+](CC)CC2CCC2)no1 ZINC000336725956 386460746 /nfs/dbraw/zinc/46/07/46/386460746.db2.gz SGHZYPSMIFVVHY-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@@H+](CC)CC2CCC2)no1 ZINC000336725956 386460752 /nfs/dbraw/zinc/46/07/52/386460752.db2.gz SGHZYPSMIFVVHY-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CN(CCC1CC1)c1[nH+]c2cccc(F)c2n1C ZINC000337012761 386574840 /nfs/dbraw/zinc/57/48/40/386574840.db2.gz IIAUIBMHGPYWOY-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO COc1cc(C)cc(NCc2c[nH+]cn2C)c1C ZINC000278746662 386578197 /nfs/dbraw/zinc/57/81/97/386578197.db2.gz PIRWWIUDBAKRGG-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cn1c[nH+]cc1CSc1cc(F)ccc1F ZINC000336620945 386590948 /nfs/dbraw/zinc/59/09/48/386590948.db2.gz FZSOQGIHNLBROH-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000291421418 386543626 /nfs/dbraw/zinc/54/36/26/386543626.db2.gz HWYMNWSXSFYWDG-UHFFFAOYSA-N 1 2 241.281 2.830 20 0 BFADLO c1nc(C2CC2)oc1CNc1cccc[nH+]1 ZINC000519802328 386554150 /nfs/dbraw/zinc/55/41/50/386554150.db2.gz UQCAADDQJZZVCO-UHFFFAOYSA-N 1 2 215.256 2.559 20 0 BFADLO Cc1ccoc1CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000291623982 386560965 /nfs/dbraw/zinc/56/09/65/386560965.db2.gz AXDYQDYCMCJUCD-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO C[C@H](CNc1ccc(CO)c[nH+]1)c1ccccc1 ZINC000291712548 386572771 /nfs/dbraw/zinc/57/27/71/386572771.db2.gz ZYZBWCFWKJCLPI-GFCCVEGCSA-N 1 2 242.322 2.790 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H](C(C)C)C1 ZINC000520252799 386619567 /nfs/dbraw/zinc/61/95/67/386619567.db2.gz HEKKVGXLQBODFZ-CYBMUJFWSA-N 1 2 233.359 2.966 20 0 BFADLO CCN(C[C@H](C)OC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000292352289 386655557 /nfs/dbraw/zinc/65/55/57/386655557.db2.gz OILKJJIFDYOSNQ-NSHDSACASA-N 1 2 249.358 2.524 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nn(C)cc2Cl)CC1 ZINC000335502144 386629801 /nfs/dbraw/zinc/62/98/01/386629801.db2.gz HFYZJKGKEYFKQR-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nn(C)cc2Cl)CC1 ZINC000335502144 386629807 /nfs/dbraw/zinc/62/98/07/386629807.db2.gz HFYZJKGKEYFKQR-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1ccncc1F ZINC000336782431 386642961 /nfs/dbraw/zinc/64/29/61/386642961.db2.gz XPUQOFQMRUEWJJ-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO CC(C)C[C@@H](C)CN1CC[NH+](C2CCC2)CC1 ZINC000337196531 386644202 /nfs/dbraw/zinc/64/42/02/386644202.db2.gz WJWZEQKSFYSAQC-CQSZACIVSA-N 1 2 238.419 2.839 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000292277075 386645226 /nfs/dbraw/zinc/64/52/26/386645226.db2.gz LEUXWHOGFRKGHL-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cncc(F)c1 ZINC000292277075 386645232 /nfs/dbraw/zinc/64/52/32/386645232.db2.gz LEUXWHOGFRKGHL-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CCN(C[C@H]1CCCO1)c1cc[nH+]c(C(C)C)n1 ZINC000301178592 386648685 /nfs/dbraw/zinc/64/86/85/386648685.db2.gz GYGADRXEEPLQGT-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO CCCc1nc(C)c(NCc2[nH]cc[nH+]2)s1 ZINC000336783002 386651182 /nfs/dbraw/zinc/65/11/82/386651182.db2.gz ZFNLVEIFFKVIJA-UHFFFAOYSA-N 1 2 236.344 2.739 20 0 BFADLO Cc1ccc(NC(=O)/C=C/C2CC2)c(C)[nH+]1 ZINC000267988731 386606507 /nfs/dbraw/zinc/60/65/07/386606507.db2.gz INVWMSGHBVTAPJ-SOFGYWHQSA-N 1 2 216.284 2.603 20 0 BFADLO Cc1ccc(NC(=O)C2(C)CCC2)c(C)[nH+]1 ZINC000267981348 386608076 /nfs/dbraw/zinc/60/80/76/386608076.db2.gz GGFYPBIXDOOTOQ-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2occc2C)on1 ZINC000292049938 386614325 /nfs/dbraw/zinc/61/43/25/386614325.db2.gz ATQRSHIOFBBNIO-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2occc2C)on1 ZINC000292049938 386614332 /nfs/dbraw/zinc/61/43/32/386614332.db2.gz ATQRSHIOFBBNIO-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@@H]1C(F)F ZINC000335527238 386670859 /nfs/dbraw/zinc/67/08/59/386670859.db2.gz GXJMYUTYULQRJW-IUCAKERBSA-N 1 2 240.253 2.538 20 0 BFADLO CC[C@@H]1CC[C@@H](C(=O)Nc2c(C)cc[nH+]c2C)O1 ZINC000335529660 386677669 /nfs/dbraw/zinc/67/76/69/386677669.db2.gz RPBWMIBWEOJLPQ-NEPJUHHUSA-N 1 2 248.326 2.595 20 0 BFADLO CCOc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000337275315 386687385 /nfs/dbraw/zinc/68/73/85/386687385.db2.gz DPGJZDPYOPALRN-UHFFFAOYSA-N 1 2 241.281 2.973 20 0 BFADLO c1c[nH+]c(COCC23CCC(CC2)C3)[nH]1 ZINC000645077247 386705114 /nfs/dbraw/zinc/70/51/14/386705114.db2.gz QLNUUVDLFHXSIX-UHFFFAOYSA-N 1 2 206.289 2.507 20 0 BFADLO COC(=O)[C@H]([NH2+]CC(C)C)c1cc(C)cc(C)c1 ZINC000043394939 386708364 /nfs/dbraw/zinc/70/83/64/386708364.db2.gz NCCMKBCGHLWSAJ-CQSZACIVSA-N 1 2 249.354 2.763 20 0 BFADLO CCc1nc(C[N@H+](C)CC2(F)CC2)cs1 ZINC000526970339 386714675 /nfs/dbraw/zinc/71/46/75/386714675.db2.gz ZNZKQTXUFUIGKP-UHFFFAOYSA-N 1 2 228.336 2.639 20 0 BFADLO CCc1nc(C[N@@H+](C)CC2(F)CC2)cs1 ZINC000526970339 386714680 /nfs/dbraw/zinc/71/46/80/386714680.db2.gz ZNZKQTXUFUIGKP-UHFFFAOYSA-N 1 2 228.336 2.639 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cocn1 ZINC000191945784 386718721 /nfs/dbraw/zinc/71/87/21/386718721.db2.gz BKBSHVXKZIYBIT-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cocn1 ZINC000191945784 386718726 /nfs/dbraw/zinc/71/87/26/386718726.db2.gz BKBSHVXKZIYBIT-NSHDSACASA-N 1 2 228.295 2.621 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2C)[nH]1 ZINC000268934630 386722639 /nfs/dbraw/zinc/72/26/39/386722639.db2.gz FRLYHQAHXFIKDC-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2C)[nH]1 ZINC000268934630 386722646 /nfs/dbraw/zinc/72/26/46/386722646.db2.gz FRLYHQAHXFIKDC-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2cccc(C)c2C)n1 ZINC000268945938 386723008 /nfs/dbraw/zinc/72/30/08/386723008.db2.gz WQDJMHWDFMWSLU-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cocn2)C1 ZINC000191977048 386728397 /nfs/dbraw/zinc/72/83/97/386728397.db2.gz MEDIWJPTNZRLKQ-FZMZJTMJSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cocn2)C1 ZINC000191977048 386728405 /nfs/dbraw/zinc/72/84/05/386728405.db2.gz MEDIWJPTNZRLKQ-FZMZJTMJSA-N 1 2 243.310 2.653 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C12CCC(CC1)C2 ZINC000334152437 386752783 /nfs/dbraw/zinc/75/27/83/386752783.db2.gz WBMBNFVOODPCRV-UHFFFAOYSA-N 1 2 244.338 2.585 20 0 BFADLO CC[C@H]([NH2+]Cc1cocn1)c1nc(C)cs1 ZINC000192308978 386755398 /nfs/dbraw/zinc/75/53/98/386755398.db2.gz OKMVMVZFDOJOGP-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO Cc1cnc(C[N@H+](C)CCC(F)(F)F)s1 ZINC000357305961 386757656 /nfs/dbraw/zinc/75/76/56/386757656.db2.gz OKPAXWHDXNYXRC-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO Cc1cnc(C[N@@H+](C)CCC(F)(F)F)s1 ZINC000357305961 386757662 /nfs/dbraw/zinc/75/76/62/386757662.db2.gz OKPAXWHDXNYXRC-UHFFFAOYSA-N 1 2 238.278 2.836 20 0 BFADLO Cc1csc([C@@H]([NH2+]Cc2cocn2)C2CC2)n1 ZINC000192318810 386762027 /nfs/dbraw/zinc/76/20/27/386762027.db2.gz HIGYCUQOEWYUOR-NSHDSACASA-N 1 2 249.339 2.680 20 0 BFADLO C[C@@H](O)C[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000340778758 386771759 /nfs/dbraw/zinc/77/17/59/386771759.db2.gz LWJOGQKHFYDDPP-NXEZZACHSA-N 1 2 248.301 2.945 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCF)o1 ZINC000269321182 386779547 /nfs/dbraw/zinc/77/95/47/386779547.db2.gz FDQPDJVNQCIEFF-MWLCHTKSSA-N 1 2 211.280 2.804 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCF)o1 ZINC000269321182 386779551 /nfs/dbraw/zinc/77/95/51/386779551.db2.gz FDQPDJVNQCIEFF-MWLCHTKSSA-N 1 2 211.280 2.804 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2cccc(C)c21 ZINC000417978595 386782282 /nfs/dbraw/zinc/78/22/82/386782282.db2.gz IAEDUBAEKSHYNX-UHFFFAOYSA-N 1 2 241.338 2.774 20 0 BFADLO C[C@H](c1cccc(F)c1)N1CCn2c[nH+]cc2C1 ZINC000647939231 386822845 /nfs/dbraw/zinc/82/28/45/386822845.db2.gz GWRBXTFTNBOEOG-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]([NH2+]Cc1ccsc1)c1ccon1 ZINC000336669353 386799026 /nfs/dbraw/zinc/79/90/26/386799026.db2.gz XRJSWTOTXWBWPO-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO C[C@H]([NH2+]Cc1ccsc1)c1ccon1 ZINC000336669354 386800327 /nfs/dbraw/zinc/80/03/27/386800327.db2.gz XRJSWTOTXWBWPO-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO CO[C@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301224677 386824355 /nfs/dbraw/zinc/82/43/55/386824355.db2.gz CUPJXNHILJUQTI-CYBMUJFWSA-N 1 2 243.310 2.585 20 0 BFADLO c1cc([C@H]2CCC[N@H+]2Cc2cnc[nH]2)cs1 ZINC000280583822 386825930 /nfs/dbraw/zinc/82/59/30/386825930.db2.gz XBQKRGXRIQTRBW-GFCCVEGCSA-N 1 2 233.340 2.808 20 0 BFADLO c1cc([C@H]2CCC[N@@H+]2Cc2cnc[nH]2)cs1 ZINC000280583822 386825937 /nfs/dbraw/zinc/82/59/37/386825937.db2.gz XBQKRGXRIQTRBW-GFCCVEGCSA-N 1 2 233.340 2.808 20 0 BFADLO CCc1ccc(CN(C)c2cc(C)[nH+]cn2)cc1 ZINC000301244081 386829005 /nfs/dbraw/zinc/82/90/05/386829005.db2.gz NMFBEJVVEOSDDY-UHFFFAOYSA-N 1 2 241.338 2.984 20 0 BFADLO CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000293522541 386830378 /nfs/dbraw/zinc/83/03/78/386830378.db2.gz WHTPUPJRWTVSMG-AAEUAGOBSA-N 1 2 248.326 2.534 20 0 BFADLO CC(C)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280660448 386831268 /nfs/dbraw/zinc/83/12/68/386831268.db2.gz AIVSBUYRUAWSRN-UHFFFAOYSA-N 1 2 231.299 2.709 20 0 BFADLO CCc1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000341155810 386847113 /nfs/dbraw/zinc/84/71/13/386847113.db2.gz YNJOLBVHMFDEKE-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO Cn1c[nH+]cc1CN(C#N)c1cccc(Cl)c1 ZINC000334790576 386853978 /nfs/dbraw/zinc/85/39/78/386853978.db2.gz BGYDKRZKWIPLIS-UHFFFAOYSA-N 1 2 246.701 2.561 20 0 BFADLO CC[C@H](NC(=O)C1=CCCCCC1)c1[nH]cc[nH+]1 ZINC000331606652 386875323 /nfs/dbraw/zinc/87/53/23/386875323.db2.gz VIQNXTBVJQSBLD-LBPRGKRZSA-N 1 2 247.342 2.868 20 0 BFADLO C[N@H+](CCF)Cc1sccc1Cl ZINC000293784866 386880327 /nfs/dbraw/zinc/88/03/27/386880327.db2.gz ZNOLAMLEPHDJAP-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO C[N@@H+](CCF)Cc1sccc1Cl ZINC000293784866 386880331 /nfs/dbraw/zinc/88/03/31/386880331.db2.gz ZNOLAMLEPHDJAP-UHFFFAOYSA-N 1 2 207.701 2.803 20 0 BFADLO CN(CC(C)(C)C)c1cc(NCC2CC2)[nH+]cn1 ZINC000301825039 386881208 /nfs/dbraw/zinc/88/12/08/386881208.db2.gz MDHOZWULNLKAFM-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CN(CC(C)(C)C)c1cc(NCC2CC2)nc[nH+]1 ZINC000301825039 386881217 /nfs/dbraw/zinc/88/12/17/386881217.db2.gz MDHOZWULNLKAFM-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CC(C)CCN(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000301824551 386881972 /nfs/dbraw/zinc/88/19/72/386881972.db2.gz LVWYMFXXTDMJPA-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CC(C)CCN(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000301824551 386881977 /nfs/dbraw/zinc/88/19/77/386881977.db2.gz LVWYMFXXTDMJPA-UHFFFAOYSA-N 1 2 248.374 2.781 20 0 BFADLO CC[C@@H](C)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301907111 386889920 /nfs/dbraw/zinc/88/99/20/386889920.db2.gz ZPHSSQCYHFEMLI-SECBINFHSA-N 1 2 247.346 2.792 20 0 BFADLO O=C(Nc1c[nH+]c2n1CCCC2)C1=CCCCC1 ZINC000334844215 386890250 /nfs/dbraw/zinc/89/02/50/386890250.db2.gz HFGHDPCSELIRJR-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO Cc1cc(NC(C2CC2)C2CC2)nc(C2CC2)[nH+]1 ZINC000341470478 386915950 /nfs/dbraw/zinc/91/59/50/386915950.db2.gz GCEKTVSAENGBCI-UHFFFAOYSA-N 1 2 243.354 2.685 20 0 BFADLO Cc1n[nH]cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000334863451 386918290 /nfs/dbraw/zinc/91/82/90/386918290.db2.gz NKHYFZVVOPGCDU-UHFFFAOYSA-N 1 2 242.326 2.688 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)CCC2CCC2)c2[nH+]ccn21 ZINC000456399378 386910467 /nfs/dbraw/zinc/91/04/67/386910467.db2.gz CUOGLGSKZQYIBW-ZYHUDNBSSA-N 1 2 247.342 2.585 20 0 BFADLO FC[C@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000334859983 386913161 /nfs/dbraw/zinc/91/31/61/386913161.db2.gz SFHDUKXOLZXKOC-ZDUSSCGKSA-N 1 2 249.285 2.603 20 0 BFADLO FC[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000334859983 386913165 /nfs/dbraw/zinc/91/31/65/386913165.db2.gz SFHDUKXOLZXKOC-ZDUSSCGKSA-N 1 2 249.285 2.603 20 0 BFADLO CC(C)CCN(C)c1cc(N2CCCC2)nc[nH+]1 ZINC000302915704 386946637 /nfs/dbraw/zinc/94/66/37/386946637.db2.gz VSSLFUBOYCOEQC-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CC(C)CCN(C)c1cc(N2CCCC2)[nH+]cn1 ZINC000302915704 386946639 /nfs/dbraw/zinc/94/66/39/386946639.db2.gz VSSLFUBOYCOEQC-UHFFFAOYSA-N 1 2 248.374 2.559 20 0 BFADLO CCCCc1nc(C[N@H+](C)[C@H](C)C(C)C)no1 ZINC000341835072 386971033 /nfs/dbraw/zinc/97/10/33/386971033.db2.gz JPWGQXRWNVPBTN-LLVKDONJSA-N 1 2 239.363 2.889 20 0 BFADLO CCCCc1nc(C[N@@H+](C)[C@H](C)C(C)C)no1 ZINC000341835072 386971040 /nfs/dbraw/zinc/97/10/40/386971040.db2.gz JPWGQXRWNVPBTN-LLVKDONJSA-N 1 2 239.363 2.889 20 0 BFADLO COc1ncccc1OCc1ccc(C)[nH+]c1C ZINC000358613257 386987666 /nfs/dbraw/zinc/98/76/66/386987666.db2.gz RGZITCKGBZGSJF-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO Cn1cc[nH+]c1CSc1cc(F)ccc1F ZINC000334915234 386990239 /nfs/dbraw/zinc/99/02/39/386990239.db2.gz PSYBUNNKTZTJLL-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO C(=C/c1ccncn1)\c1[nH+]ccn1-c1ccccc1 ZINC000358692018 386998030 /nfs/dbraw/zinc/99/80/30/386998030.db2.gz YOPQMLNTGOIKHB-VOTSOKGWSA-N 1 2 248.289 2.833 20 0 BFADLO CN(CC1CCC1)c1cc[nH+]c(C2CC2)n1 ZINC000110600623 387066836 /nfs/dbraw/zinc/06/68/36/387066836.db2.gz VOHLYVOMCGQZDC-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000334006903 387059471 /nfs/dbraw/zinc/05/94/71/387059471.db2.gz XMDSXOJKHRISFY-ZYHUDNBSSA-N 1 2 249.358 2.758 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC12CCCC2 ZINC000336228540 387067374 /nfs/dbraw/zinc/06/73/74/387067374.db2.gz GHMYNBXGRIAOEQ-GFCCVEGCSA-N 1 2 244.338 2.585 20 0 BFADLO Cc1ccc(CS[C@H](C)[C@@H](C)O)c(C)[nH+]1 ZINC000358788026 387013363 /nfs/dbraw/zinc/01/33/63/387013363.db2.gz UZSUYTKANGZBTD-GHMZBOCLSA-N 1 2 225.357 2.701 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@](C)(F)C2)c(F)c1 ZINC000514609642 387013461 /nfs/dbraw/zinc/01/34/61/387013461.db2.gz SFFLXEHZIIJYEB-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@](C)(F)C2)c(F)c1 ZINC000514609642 387013463 /nfs/dbraw/zinc/01/34/63/387013463.db2.gz SFFLXEHZIIJYEB-ZDUSSCGKSA-N 1 2 241.281 2.768 20 0 BFADLO CCc1cccc(F)c1CNc1cc[nH+]cc1F ZINC000359287200 387078711 /nfs/dbraw/zinc/07/87/11/387078711.db2.gz NUDNCCXUFWTEMZ-UHFFFAOYSA-N 1 2 248.276 2.956 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2cccc(F)c21 ZINC000418064778 387081207 /nfs/dbraw/zinc/08/12/07/387081207.db2.gz ISWYVNKBZOUYDU-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000359357392 387091293 /nfs/dbraw/zinc/09/12/93/387091293.db2.gz GAJGLHBKDACQRX-NSHDSACASA-N 1 2 232.327 2.577 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119035951 387092342 /nfs/dbraw/zinc/09/23/42/387092342.db2.gz NUHHWQBWRWMGPF-FZMZJTMJSA-N 1 2 247.338 2.679 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000336273159 387106122 /nfs/dbraw/zinc/10/61/22/387106122.db2.gz RQXYEEVRVULNGM-NSHDSACASA-N 1 2 241.718 2.544 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)o1 ZINC000336273159 387106125 /nfs/dbraw/zinc/10/61/25/387106125.db2.gz RQXYEEVRVULNGM-NSHDSACASA-N 1 2 241.718 2.544 20 0 BFADLO Cc1ccc(NC(=O)c2ccoc2)c(C)[nH+]1 ZINC000119291273 387115282 /nfs/dbraw/zinc/11/52/82/387115282.db2.gz VGFBIZOYYBJCNF-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)C1=CCC(C)(C)CC1 ZINC000336286920 387120514 /nfs/dbraw/zinc/12/05/14/387120514.db2.gz NDRZRGSHKAKAQD-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H](CC(C)C)C2)no1 ZINC000119363502 387121599 /nfs/dbraw/zinc/12/15/99/387121599.db2.gz HCAZDAUOHNGOOT-LBPRGKRZSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)no1 ZINC000119363502 387121604 /nfs/dbraw/zinc/12/16/04/387121604.db2.gz HCAZDAUOHNGOOT-LBPRGKRZSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)C(C)(F)F ZINC000321347571 387123420 /nfs/dbraw/zinc/12/34/20/387123420.db2.gz CEMFNDTVYVVUHO-QMMMGPOBSA-N 1 2 203.232 2.721 20 0 BFADLO C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)C1CC1 ZINC000353127379 387143263 /nfs/dbraw/zinc/14/32/63/387143263.db2.gz PDGHUHVCKLFGRU-LLVKDONJSA-N 1 2 242.326 2.537 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000353186070 387144689 /nfs/dbraw/zinc/14/46/89/387144689.db2.gz UZBKCQIIUMCXGY-LBPRGKRZSA-N 1 2 225.282 2.959 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000353186070 387144692 /nfs/dbraw/zinc/14/46/92/387144692.db2.gz UZBKCQIIUMCXGY-LBPRGKRZSA-N 1 2 225.282 2.959 20 0 BFADLO Cn1c[nH+]cc1CNc1ccccc1C(F)F ZINC000424571912 387149025 /nfs/dbraw/zinc/14/90/25/387149025.db2.gz QPRYFDXPXFYQPP-UHFFFAOYSA-N 1 2 237.253 2.970 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000353174572 387151348 /nfs/dbraw/zinc/15/13/48/387151348.db2.gz XOCSKYKDLPRAQN-GFCCVEGCSA-N 1 2 241.281 2.795 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000353174572 387151352 /nfs/dbraw/zinc/15/13/52/387151352.db2.gz XOCSKYKDLPRAQN-GFCCVEGCSA-N 1 2 241.281 2.795 20 0 BFADLO Cn1cccc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000359821364 387169489 /nfs/dbraw/zinc/16/94/89/387169489.db2.gz ODWPKYHBFXSVQF-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO CC[C@@H](C)n1ncc(NCc2[nH+]ccn2C)c1C ZINC000359820582 387169886 /nfs/dbraw/zinc/16/98/86/387169886.db2.gz UNCWQFGELPRCSW-SNVBAGLBSA-N 1 2 247.346 2.508 20 0 BFADLO C/C=C/C[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187150826 387169933 /nfs/dbraw/zinc/16/99/33/387169933.db2.gz MVJZOOCRGGPUHO-RGDDUWESSA-N 1 2 223.341 2.523 20 0 BFADLO CCCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187222461 387173168 /nfs/dbraw/zinc/17/31/68/387173168.db2.gz GEIGHJSZZYGAFO-OAHLLOKOSA-N 1 2 225.357 2.747 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC(C)(C)[C@H]1C(C)C ZINC000336351302 387181181 /nfs/dbraw/zinc/18/11/81/387181181.db2.gz ZBJXHKORSDWVKP-GFCCVEGCSA-N 1 2 221.348 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC(C)(C)[C@H]1C(C)C ZINC000336351302 387181186 /nfs/dbraw/zinc/18/11/86/387181186.db2.gz ZBJXHKORSDWVKP-GFCCVEGCSA-N 1 2 221.348 2.585 20 0 BFADLO CCC[C@H](NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000423337763 387185703 /nfs/dbraw/zinc/18/57/03/387185703.db2.gz VNZPBZWGRXCYBF-LBPRGKRZSA-N 1 2 248.361 2.919 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cnccc2C)cs1 ZINC000353364635 387190261 /nfs/dbraw/zinc/19/02/61/387190261.db2.gz RPSLYOAYGQKDFP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cnccc2C)cs1 ZINC000353364635 387190265 /nfs/dbraw/zinc/19/02/65/387190265.db2.gz RPSLYOAYGQKDFP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)c1c(F)cncc1F ZINC000336387616 387218593 /nfs/dbraw/zinc/21/85/93/387218593.db2.gz GFKWMLHXOTWSKF-MRVPVSSYSA-N 1 2 235.237 2.928 20 0 BFADLO c1csc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000371491716 387222316 /nfs/dbraw/zinc/22/23/16/387222316.db2.gz VDJYPUXNXJHFLW-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000371491716 387222317 /nfs/dbraw/zinc/22/23/17/387222317.db2.gz VDJYPUXNXJHFLW-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO C[N@H+](C/C=C\c1ccc(F)cc1)Cc1cc[nH]n1 ZINC000353529028 387223800 /nfs/dbraw/zinc/22/38/00/387223800.db2.gz PFVVNMINLWHJMX-IHWYPQMZSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1cc[nH]n1 ZINC000353529028 387223806 /nfs/dbraw/zinc/22/38/06/387223806.db2.gz PFVVNMINLWHJMX-IHWYPQMZSA-N 1 2 245.301 2.694 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000424653002 387234914 /nfs/dbraw/zinc/23/49/14/387234914.db2.gz GCOMGOBMAQFYGU-ZWNOBZJWSA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705100 387261482 /nfs/dbraw/zinc/26/14/82/387261482.db2.gz BCHDAVGOEJYFTJ-NMKXLXIOSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)o1 ZINC000353705100 387261485 /nfs/dbraw/zinc/26/14/85/387261485.db2.gz BCHDAVGOEJYFTJ-NMKXLXIOSA-N 1 2 247.338 2.766 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ccon2)c(C)n1 ZINC000360329154 387264272 /nfs/dbraw/zinc/26/42/72/387264272.db2.gz KDPMSVYCHQRJIV-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1nc(C[N@@H+]2CCC3(C2)CCCCC3)no1 ZINC000129937187 387269749 /nfs/dbraw/zinc/26/97/49/387269749.db2.gz LDMVJRKPODNCDZ-UHFFFAOYSA-N 1 2 235.331 2.534 20 0 BFADLO Cc1nc(C[N@H+]2CCC3(C2)CCCCC3)no1 ZINC000129937187 387269754 /nfs/dbraw/zinc/26/97/54/387269754.db2.gz LDMVJRKPODNCDZ-UHFFFAOYSA-N 1 2 235.331 2.534 20 0 BFADLO CCC[C@@H]1CCC[N@H+](Cc2noc(CC)n2)C1 ZINC000120859204 387278558 /nfs/dbraw/zinc/27/85/58/387278558.db2.gz DNFUVOITZUFGHL-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCC[C@@H]1CCC[N@@H+](Cc2noc(CC)n2)C1 ZINC000120859204 387278563 /nfs/dbraw/zinc/27/85/63/387278563.db2.gz DNFUVOITZUFGHL-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1nc(N(C)[C@@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000514750218 387285670 /nfs/dbraw/zinc/28/56/70/387285670.db2.gz NDGXFKIJRMESOR-JTQLQIEISA-N 1 2 245.370 2.899 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1ccc2c(c1)CCC2 ZINC000353863658 387287386 /nfs/dbraw/zinc/28/73/86/387287386.db2.gz GPTLUNAOTADSPO-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1ccc2c(c1)CCC2 ZINC000353863658 387287392 /nfs/dbraw/zinc/28/73/92/387287392.db2.gz GPTLUNAOTADSPO-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO Cc1ccccc1C[N@@H+]1Cc2cccnc2C1 ZINC000514802915 387295002 /nfs/dbraw/zinc/29/50/02/387295002.db2.gz HGNQBDBRYCWTMB-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ccccc1C[N@H+]1Cc2cccnc2C1 ZINC000514802915 387295004 /nfs/dbraw/zinc/29/50/04/387295004.db2.gz HGNQBDBRYCWTMB-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccc(C)nc2)s1 ZINC000360972709 387377873 /nfs/dbraw/zinc/37/78/73/387377873.db2.gz CFVPNEFZITVPNP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccc(C)nc2)s1 ZINC000360972709 387377878 /nfs/dbraw/zinc/37/78/78/387377878.db2.gz CFVPNEFZITVPNP-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C/C=C\c1ccc(NC(=O)Cn2cc[nH+]c2)cc1 ZINC000360629372 387324550 /nfs/dbraw/zinc/32/45/50/387324550.db2.gz RTBNSWANGBZTCM-IHWYPQMZSA-N 1 2 241.294 2.555 20 0 BFADLO Cc1cnc([C@H](C)[NH+]2Cc3ccccc3C2)cn1 ZINC000336502467 387327717 /nfs/dbraw/zinc/32/77/17/387327717.db2.gz PHPCOJSGYLJMMF-LBPRGKRZSA-N 1 2 239.322 2.862 20 0 BFADLO C[C@H](O)CNc1cc[nH+]c2c(Cl)cccc12 ZINC000286431449 387329501 /nfs/dbraw/zinc/32/95/01/387329501.db2.gz IBRWWLURUJFEIN-QMMMGPOBSA-N 1 2 236.702 2.681 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC1(C)CCC1 ZINC000354155184 387338310 /nfs/dbraw/zinc/33/83/10/387338310.db2.gz JBJLLLMHWYNXRM-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)n1 ZINC000352587654 387343850 /nfs/dbraw/zinc/34/38/50/387343850.db2.gz CNIASKQZIDMOOE-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO Clc1cccnc1SCCn1cc[nH+]c1 ZINC000121891138 387427316 /nfs/dbraw/zinc/42/73/16/387427316.db2.gz AMFPWXUDROSLGW-UHFFFAOYSA-N 1 2 239.731 2.724 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000084102448 387435087 /nfs/dbraw/zinc/43/50/87/387435087.db2.gz RVXBWVPNEPGFLT-TZMCWYRMSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1ccncc1C[N@H+](C)Cc1ccc(F)cn1 ZINC000361428046 387461632 /nfs/dbraw/zinc/46/16/32/387461632.db2.gz XOCCIMJGGTUVSD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccncc1C[N@@H+](C)Cc1ccc(F)cn1 ZINC000361428046 387461636 /nfs/dbraw/zinc/46/16/36/387461636.db2.gz XOCCIMJGGTUVSD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Fc1ccc2cc[nH+]c(N[C@H]3CCOC3)c2c1 ZINC000354873438 387440861 /nfs/dbraw/zinc/44/08/61/387440861.db2.gz DNRLIXQRAGVEJG-NSHDSACASA-N 1 2 232.258 2.575 20 0 BFADLO CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2CF)cn1 ZINC000354521806 387387256 /nfs/dbraw/zinc/38/72/56/387387256.db2.gz OPINGWWQJXBOAZ-GFCCVEGCSA-N 1 2 239.338 2.572 20 0 BFADLO CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2CF)cn1 ZINC000354521806 387387264 /nfs/dbraw/zinc/38/72/64/387387264.db2.gz OPINGWWQJXBOAZ-GFCCVEGCSA-N 1 2 239.338 2.572 20 0 BFADLO c1c2ccccc2n2c1C[N@H+](CC1CC1)CC2 ZINC000361016019 387389833 /nfs/dbraw/zinc/38/98/33/387389833.db2.gz FDFVQFBTVPJPKJ-UHFFFAOYSA-N 1 2 226.323 2.867 20 0 BFADLO c1c2ccccc2n2c1C[N@@H+](CC1CC1)CC2 ZINC000361016019 387389838 /nfs/dbraw/zinc/38/98/38/387389838.db2.gz FDFVQFBTVPJPKJ-UHFFFAOYSA-N 1 2 226.323 2.867 20 0 BFADLO Cc1ccc(NCc2cncc(F)c2)c(C)[nH+]1 ZINC000336578182 387400842 /nfs/dbraw/zinc/40/08/42/387400842.db2.gz NOUXZAFPLKHCKA-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO Cc1nc(N[C@@H]2C[C@]2(C)C(C)C)cc[nH+]1 ZINC000397141924 387543948 /nfs/dbraw/zinc/54/39/48/387543948.db2.gz AZGQIGVJNYIGRY-ZYHUDNBSSA-N 1 2 205.305 2.632 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000355363655 387526454 /nfs/dbraw/zinc/52/64/54/387526454.db2.gz JVTWCYGWKDMDPB-SNVBAGLBSA-N 1 2 217.671 2.867 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000355363655 387526457 /nfs/dbraw/zinc/52/64/57/387526457.db2.gz JVTWCYGWKDMDPB-SNVBAGLBSA-N 1 2 217.671 2.867 20 0 BFADLO Cc1ccc(NC(=O)NCCCCF)c(C)[nH+]1 ZINC000361757841 387532217 /nfs/dbraw/zinc/53/22/17/387532217.db2.gz TUJUFYUIFMJRJD-UHFFFAOYSA-N 1 2 239.294 2.570 20 0 BFADLO CCc1ccc(NCc2[nH+]ccn2C)cc1C ZINC000310059819 387534303 /nfs/dbraw/zinc/53/43/03/387534303.db2.gz BCTWCFKBUGTLDE-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO C[C@@H]([NH2+]CC1(F)CC1)c1nc(C(C)(C)C)no1 ZINC000527243380 387544482 /nfs/dbraw/zinc/54/44/82/387544482.db2.gz XDMZGMRAXYHJGX-MRVPVSSYSA-N 1 2 241.310 2.520 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1C[C@H]1c1ccccc1 ZINC000352752551 387471644 /nfs/dbraw/zinc/47/16/44/387471644.db2.gz AVHORXMUBDNFOK-NEPJUHHUSA-N 1 2 225.282 2.987 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1C[C@H]1c1ccccc1 ZINC000352752551 387471648 /nfs/dbraw/zinc/47/16/48/387471648.db2.gz AVHORXMUBDNFOK-NEPJUHHUSA-N 1 2 225.282 2.987 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2c(C)cccc2C)no1 ZINC000355072436 387475134 /nfs/dbraw/zinc/47/51/34/387475134.db2.gz XOBIUTOHCLGXMW-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cn2c([nH+]1)CN(Cc1csc(C)c1)CC2 ZINC000648511222 387491308 /nfs/dbraw/zinc/49/13/08/387491308.db2.gz FZYGZFXRRPTDGE-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO COCc1cnc(C[N@H+](C)[C@H]2CC2(C)C)s1 ZINC000426546103 387581040 /nfs/dbraw/zinc/58/10/40/387581040.db2.gz UWIOIBRHNCUJIQ-JTQLQIEISA-N 1 2 240.372 2.520 20 0 BFADLO COCc1cnc(C[N@@H+](C)[C@H]2CC2(C)C)s1 ZINC000426546103 387581046 /nfs/dbraw/zinc/58/10/46/387581046.db2.gz UWIOIBRHNCUJIQ-JTQLQIEISA-N 1 2 240.372 2.520 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ncc[nH]1)CO2 ZINC000375888486 387590941 /nfs/dbraw/zinc/59/09/41/387590941.db2.gz LQFHTLJNXJXUME-ZYHUDNBSSA-N 1 2 243.310 2.502 20 0 BFADLO FC1(CNc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000527520665 387591970 /nfs/dbraw/zinc/59/19/70/387591970.db2.gz DOVAAPIPRGDKIU-UHFFFAOYSA-N 1 2 249.333 2.986 20 0 BFADLO c1[nH+]c(SCC2CC2)n2ccccc12 ZINC000122807365 387604583 /nfs/dbraw/zinc/60/45/83/387604583.db2.gz FCCSNLMYEBLDLK-UHFFFAOYSA-N 1 2 204.298 2.836 20 0 BFADLO Fc1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000356098004 387615668 /nfs/dbraw/zinc/61/56/68/387615668.db2.gz PQVNNEHMXMTWOI-UHFFFAOYSA-N 1 2 233.242 2.679 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362528321 387624783 /nfs/dbraw/zinc/62/47/83/387624783.db2.gz LKKUHPJSMQHXKU-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000362528321 387624786 /nfs/dbraw/zinc/62/47/86/387624786.db2.gz LKKUHPJSMQHXKU-HNNXBMFYSA-N 1 2 249.329 2.745 20 0 BFADLO CC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000032313781 387547099 /nfs/dbraw/zinc/54/70/99/387547099.db2.gz JFJQQHFVRYCSGU-UHFFFAOYSA-N 1 2 243.310 2.721 20 0 BFADLO CC1(C)CCC[C@@H](C[N@H+](CCO)CC(F)F)C1 ZINC000527241619 387548738 /nfs/dbraw/zinc/54/87/38/387548738.db2.gz JHXJTKKNOUFVRH-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)CCC[C@@H](C[N@@H+](CCO)CC(F)F)C1 ZINC000527241619 387548741 /nfs/dbraw/zinc/54/87/41/387548741.db2.gz JHXJTKKNOUFVRH-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1cc(N[C@@H]2C[C@]2(C)C(C)C)nc[nH+]1 ZINC000397196959 387551964 /nfs/dbraw/zinc/55/19/64/387551964.db2.gz OHBTYYRKEZODRX-ZYHUDNBSSA-N 1 2 205.305 2.632 20 0 BFADLO CC(C)CCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000426480529 387573174 /nfs/dbraw/zinc/57/31/74/387573174.db2.gz AKNSFDYAVKDCKU-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)CCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000426480529 387573178 /nfs/dbraw/zinc/57/31/78/387573178.db2.gz AKNSFDYAVKDCKU-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@H+](C)[C@H](C(=O)OC(C)C)c1ccccc1 ZINC000356309383 387642595 /nfs/dbraw/zinc/64/25/95/387642595.db2.gz GCTGWOCQRKFYDP-ZDUSSCGKSA-N 1 2 235.327 2.631 20 0 BFADLO CC[N@@H+](C)[C@H](C(=O)OC(C)C)c1ccccc1 ZINC000356309383 387642597 /nfs/dbraw/zinc/64/25/97/387642597.db2.gz GCTGWOCQRKFYDP-ZDUSSCGKSA-N 1 2 235.327 2.631 20 0 BFADLO CN(C)c1ccc(NC[C@H]2CC=CCC2)[nH+]c1 ZINC000125078349 387643799 /nfs/dbraw/zinc/64/37/99/387643799.db2.gz LCZIIJJOYDXHIN-LBPRGKRZSA-N 1 2 231.343 2.916 20 0 BFADLO C[C@H]1CCCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431019083 387670606 /nfs/dbraw/zinc/67/06/06/387670606.db2.gz KQONYLCSHRGVHD-JTQLQIEISA-N 1 2 247.317 2.949 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126776590 387695928 /nfs/dbraw/zinc/69/59/28/387695928.db2.gz SXDUONMUCOZTCU-HNNXBMFYSA-N 1 2 247.338 2.732 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126776590 387695932 /nfs/dbraw/zinc/69/59/32/387695932.db2.gz SXDUONMUCOZTCU-HNNXBMFYSA-N 1 2 247.338 2.732 20 0 BFADLO CCC(CC)[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431034799 387673276 /nfs/dbraw/zinc/67/32/76/387673276.db2.gz OVWFOSMMAPTNOC-UHFFFAOYSA-N 1 2 235.306 2.735 20 0 BFADLO CC[C@@H](F)C[N@H+](C)Cc1cnc(C)s1 ZINC000440708431 387674956 /nfs/dbraw/zinc/67/49/56/387674956.db2.gz YLZKIBRREZLOMG-SECBINFHSA-N 1 2 216.325 2.631 20 0 BFADLO CC[C@@H](F)C[N@@H+](C)Cc1cnc(C)s1 ZINC000440708431 387674961 /nfs/dbraw/zinc/67/49/61/387674961.db2.gz YLZKIBRREZLOMG-SECBINFHSA-N 1 2 216.325 2.631 20 0 BFADLO CCC1(C(=O)Nc2ccc(N)[nH+]c2)CCCCC1 ZINC000422778404 387675582 /nfs/dbraw/zinc/67/55/82/387675582.db2.gz ANRVAAZXSSJBKU-UHFFFAOYSA-N 1 2 247.342 2.793 20 0 BFADLO FCCC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000126555212 387688599 /nfs/dbraw/zinc/68/85/99/387688599.db2.gz LVGVHCOZVPOWMH-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000126555212 387688605 /nfs/dbraw/zinc/68/86/05/387688605.db2.gz LVGVHCOZVPOWMH-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO CCc1cnc(C[N@@H+](C)C[C@@H](F)CC)s1 ZINC000440771114 387688698 /nfs/dbraw/zinc/68/86/98/387688698.db2.gz MHOBSBYBPCCGLG-VIFPVBQESA-N 1 2 230.352 2.885 20 0 BFADLO CCc1cnc(C[N@H+](C)C[C@@H](F)CC)s1 ZINC000440771114 387688705 /nfs/dbraw/zinc/68/87/05/387688705.db2.gz MHOBSBYBPCCGLG-VIFPVBQESA-N 1 2 230.352 2.885 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CC1(Cl)Cl ZINC000527830583 387748405 /nfs/dbraw/zinc/74/84/05/387748405.db2.gz JSFHJOARMXYUTE-SSDOTTSWSA-N 1 2 247.125 2.696 20 0 BFADLO COC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527834300 387748607 /nfs/dbraw/zinc/74/86/07/387748607.db2.gz NPKMGPDAESBUAE-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@H]2C)c(C)o1 ZINC000528775124 387749923 /nfs/dbraw/zinc/74/99/23/387749923.db2.gz WYHJBAUVNYMLTG-MRVPVSSYSA-N 1 2 244.285 2.911 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@H]2C)c(C)o1 ZINC000528775124 387749932 /nfs/dbraw/zinc/74/99/32/387749932.db2.gz WYHJBAUVNYMLTG-MRVPVSSYSA-N 1 2 244.285 2.911 20 0 BFADLO CC[N@H+](CC1(CC(=O)OC)CC1)c1ccccc1 ZINC000440794998 387702275 /nfs/dbraw/zinc/70/22/75/387702275.db2.gz SJNAUJJSGHSTCQ-UHFFFAOYSA-N 1 2 247.338 2.856 20 0 BFADLO CC[N@@H+](CC1(CC(=O)OC)CC1)c1ccccc1 ZINC000440794998 387702283 /nfs/dbraw/zinc/70/22/83/387702283.db2.gz SJNAUJJSGHSTCQ-UHFFFAOYSA-N 1 2 247.338 2.856 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)c(C)c2)o1 ZINC000452038747 387707159 /nfs/dbraw/zinc/70/71/59/387707159.db2.gz FOORPCALGFBZQJ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2ccc(C)c(C)c2)o1 ZINC000452038747 387707165 /nfs/dbraw/zinc/70/71/65/387707165.db2.gz FOORPCALGFBZQJ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[C@@H]1CCC[C@H]1[NH+]=c1[nH]c2ccc(F)cc2n1C ZINC000431411161 387707967 /nfs/dbraw/zinc/70/79/67/387707967.db2.gz WTOVEQUXYWZRRW-MWLCHTKSSA-N 1 2 247.317 2.735 20 0 BFADLO CO[C@H](COc1cc[nH+]cc1)c1ccccc1 ZINC000431514986 387716476 /nfs/dbraw/zinc/71/64/76/387716476.db2.gz VXRNPCFYZROYFN-CQSZACIVSA-N 1 2 229.279 2.848 20 0 BFADLO COc1ccc[nH+]c1N1CCC(C(C)C)CC1 ZINC000527907969 387763891 /nfs/dbraw/zinc/76/38/91/387763891.db2.gz JHEUGRKBERSMGS-UHFFFAOYSA-N 1 2 234.343 2.963 20 0 BFADLO COc1ccc[nH+]c1N(C)CCc1cccs1 ZINC000527912826 387765555 /nfs/dbraw/zinc/76/55/55/387765555.db2.gz UWSBNPDAINKKFB-UHFFFAOYSA-N 1 2 248.351 2.831 20 0 BFADLO CN(C[C@@H]1CCCO1)c1[nH+]ccc2ccccc21 ZINC000527877565 387767027 /nfs/dbraw/zinc/76/70/27/387767027.db2.gz WQGZWICNDSQEHC-ZDUSSCGKSA-N 1 2 242.322 2.850 20 0 BFADLO CO[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527883490 387771711 /nfs/dbraw/zinc/77/17/11/387771711.db2.gz UIWZPQGOJWSSFX-ZDUSSCGKSA-N 1 2 242.322 2.850 20 0 BFADLO Cn1cccc1C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000378337568 387776758 /nfs/dbraw/zinc/77/67/58/387776758.db2.gz QRPUQXVSSYMEDO-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1C[N@H+]1CCC[C@H]1c1nccs1 ZINC000378337568 387776763 /nfs/dbraw/zinc/77/67/63/387776763.db2.gz QRPUQXVSSYMEDO-LBPRGKRZSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(F)c(Cl)c1 ZINC000049772825 387787894 /nfs/dbraw/zinc/78/78/94/387787894.db2.gz VJBJRLJMNCMUTM-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO Cc1cn2c([nH+]1)CN(Cc1ccc(C)s1)CC2 ZINC000359892221 387790268 /nfs/dbraw/zinc/79/02/68/387790268.db2.gz BAWLZUMMJYCSRQ-UHFFFAOYSA-N 1 2 247.367 2.577 20 0 BFADLO CN(CC1(O)CCC1)c1[nH+]ccc2ccccc21 ZINC000527962128 387809105 /nfs/dbraw/zinc/80/91/05/387809105.db2.gz MWFDBJHOQQRSOF-UHFFFAOYSA-N 1 2 242.322 2.586 20 0 BFADLO c1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)co1 ZINC000432748942 387811272 /nfs/dbraw/zinc/81/12/72/387811272.db2.gz FGBASJHSQRZKQV-CYBMUJFWSA-N 1 2 214.268 2.622 20 0 BFADLO c1nc(C[N@H+]2CC[C@@H]2c2ccccc2)co1 ZINC000432748942 387811275 /nfs/dbraw/zinc/81/12/75/387811275.db2.gz FGBASJHSQRZKQV-CYBMUJFWSA-N 1 2 214.268 2.622 20 0 BFADLO CN(c1[nH+]ccc2ccccc21)[C@@H]1CCCOC1 ZINC000528016560 387822818 /nfs/dbraw/zinc/82/28/18/387822818.db2.gz TTZPLNBAYIBJTF-CYBMUJFWSA-N 1 2 242.322 2.850 20 0 BFADLO CCOC1(C)CN(c2[nH+]ccc3ccccc32)C1 ZINC000528031583 387833555 /nfs/dbraw/zinc/83/35/55/387833555.db2.gz WPNMJHUCFQFTKP-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCC[C@@H](CNc1cccc[nH+]1)OCC ZINC000528077847 387835728 /nfs/dbraw/zinc/83/57/28/387835728.db2.gz BJYSBSJZZMILDN-NSHDSACASA-N 1 2 208.305 2.699 20 0 BFADLO CCC[C@H](CNc1cccc[nH+]1)OCC ZINC000528077846 387836045 /nfs/dbraw/zinc/83/60/45/387836045.db2.gz BJYSBSJZZMILDN-LLVKDONJSA-N 1 2 208.305 2.699 20 0 BFADLO c1nc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)co1 ZINC000432925720 387840681 /nfs/dbraw/zinc/84/06/81/387840681.db2.gz TXQJOFXYQANDNI-UHFFFAOYSA-N 1 2 240.306 2.722 20 0 BFADLO c1nc(C[N@H+]2Cc3ccccc3C3(CC3)C2)co1 ZINC000432925720 387840687 /nfs/dbraw/zinc/84/06/87/387840687.db2.gz TXQJOFXYQANDNI-UHFFFAOYSA-N 1 2 240.306 2.722 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442793626 387842422 /nfs/dbraw/zinc/84/24/22/387842422.db2.gz BUBDXYUDUHTSNW-MRVPVSSYSA-N 1 2 247.264 2.803 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442793626 387842427 /nfs/dbraw/zinc/84/24/27/387842427.db2.gz BUBDXYUDUHTSNW-MRVPVSSYSA-N 1 2 247.264 2.803 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442802005 387844106 /nfs/dbraw/zinc/84/41/06/387844106.db2.gz QXRDKVVMHMSCFN-QMMMGPOBSA-N 1 2 247.264 2.660 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000442802005 387844111 /nfs/dbraw/zinc/84/41/11/387844111.db2.gz QXRDKVVMHMSCFN-QMMMGPOBSA-N 1 2 247.264 2.660 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000442797865 387844525 /nfs/dbraw/zinc/84/45/25/387844525.db2.gz HZZCVBQEUSRDSB-GHMZBOCLSA-N 1 2 249.358 2.803 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC1CC=CC1 ZINC000528114444 387849084 /nfs/dbraw/zinc/84/90/84/387849084.db2.gz LFCVDKHSBOXNHW-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO FC(F)[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000433039095 387855018 /nfs/dbraw/zinc/85/50/18/387855018.db2.gz KCAYCLUCFFCPAW-CMPLNLGQSA-N 1 2 241.281 2.619 20 0 BFADLO CC1(C[NH2+][C@H](c2ccccc2)C(F)F)COC1 ZINC000433039639 387855698 /nfs/dbraw/zinc/85/56/98/387855698.db2.gz MYKGCYWFCLKFOH-LLVKDONJSA-N 1 2 241.281 2.619 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1ccon1 ZINC000442878388 387855972 /nfs/dbraw/zinc/85/59/72/387855972.db2.gz SURJJCQCYCORRZ-UWVGGRQHSA-N 1 2 232.283 2.792 20 0 BFADLO CC(C)c1nc(N[C@@]23C[C@@H]2COC3(C)C)cc[nH+]1 ZINC000528125567 387861435 /nfs/dbraw/zinc/86/14/35/387861435.db2.gz DVZCAAPEOZIMMI-YGRLFVJLSA-N 1 2 247.342 2.579 20 0 BFADLO Fc1ccc2[nH+]c(NCc3cscn3)[nH]c2c1 ZINC000236191845 387877651 /nfs/dbraw/zinc/87/76/51/387877651.db2.gz TWKQEBRJHGNMNW-UHFFFAOYSA-N 1 2 248.286 2.771 20 0 BFADLO Cc1cc(N[C@H]2CC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000443996221 387881089 /nfs/dbraw/zinc/88/10/89/387881089.db2.gz JEPQRHJTPXTKIE-CABZTGNLSA-N 1 2 231.343 2.685 20 0 BFADLO CCC[C@@H](C)CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000195239654 387916580 /nfs/dbraw/zinc/91/65/80/387916580.db2.gz AVENPGVKOHHLTR-LLVKDONJSA-N 1 2 249.358 2.912 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3ncsc3C2)o1 ZINC000438367507 387930765 /nfs/dbraw/zinc/93/07/65/387930765.db2.gz WFHOPWZBJMNMTA-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3ncsc3C2)o1 ZINC000438367507 387930771 /nfs/dbraw/zinc/93/07/71/387930771.db2.gz WFHOPWZBJMNMTA-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2ncsc2C1 ZINC000438380681 387931176 /nfs/dbraw/zinc/93/11/76/387931176.db2.gz ZJZCPTHYJVFRSJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2ncsc2C1 ZINC000438380681 387931180 /nfs/dbraw/zinc/93/11/80/387931180.db2.gz ZJZCPTHYJVFRSJ-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CC[N@H+](CC1(C)COC1)c1ccccc1C ZINC000438721472 387952085 /nfs/dbraw/zinc/95/20/85/387952085.db2.gz JHLTUZUJTFTDKC-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CC[N@@H+](CC1(C)COC1)c1ccccc1C ZINC000438721472 387952091 /nfs/dbraw/zinc/95/20/91/387952091.db2.gz JHLTUZUJTFTDKC-UHFFFAOYSA-N 1 2 219.328 2.858 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000050266236 387953215 /nfs/dbraw/zinc/95/32/15/387953215.db2.gz LPRZSMVSPCTGMW-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000050266236 387953220 /nfs/dbraw/zinc/95/32/20/387953220.db2.gz LPRZSMVSPCTGMW-UHFFFAOYSA-N 1 2 249.354 2.607 20 0 BFADLO CC[N@H+](CC[C@@H](C)O)c1cc(C)cc(C)c1 ZINC000438985579 387972665 /nfs/dbraw/zinc/97/26/65/387972665.db2.gz NVRCBXWDCXJZGX-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@@H](C)O)c1cc(C)cc(C)c1 ZINC000438985579 387972669 /nfs/dbraw/zinc/97/26/69/387972669.db2.gz NVRCBXWDCXJZGX-CYBMUJFWSA-N 1 2 221.344 2.901 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc[nH]n2)[C@@H](c2ccco2)C1 ZINC000245776828 387981790 /nfs/dbraw/zinc/98/17/90/387981790.db2.gz SVIRIGYKORXGLH-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)[C@@H](c2ccco2)C1 ZINC000245776828 387981794 /nfs/dbraw/zinc/98/17/94/387981794.db2.gz SVIRIGYKORXGLH-WCQYABFASA-N 1 2 245.326 2.976 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccoc1C ZINC000453073085 387978325 /nfs/dbraw/zinc/97/83/25/387978325.db2.gz AKUYGUYYUYMBGS-JTQLQIEISA-N 1 2 233.315 2.655 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H](C)O1 ZINC000423218948 388000722 /nfs/dbraw/zinc/00/07/22/388000722.db2.gz SPYXMZAYSMBXMF-BFVZDQMLSA-N 1 2 232.327 2.632 20 0 BFADLO CC[C@@H]([NH2+]c1ccc2c(c1)CCN2)[C@H]1CCOC1 ZINC000423220498 388001537 /nfs/dbraw/zinc/00/15/37/388001537.db2.gz VIVLHNGMWDLYNB-GXTWGEPZSA-N 1 2 246.354 2.882 20 0 BFADLO CC[C@H]([NH2+]C1(C(F)F)CC1)c1ccncc1 ZINC000453206968 388009973 /nfs/dbraw/zinc/00/99/73/388009973.db2.gz FTQUTEMYIKRJHN-JTQLQIEISA-N 1 2 226.270 2.920 20 0 BFADLO CC[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(F)F ZINC000453249430 388025096 /nfs/dbraw/zinc/02/50/96/388025096.db2.gz QRYNMTMZKOOYOB-VGMNWLOBSA-N 1 2 229.274 2.522 20 0 BFADLO C[C@@H](Cc1ccoc1)[NH2+]C1(C(F)F)CC1 ZINC000453210439 388011450 /nfs/dbraw/zinc/01/14/50/388011450.db2.gz JTOSRWKITDKDGU-QMMMGPOBSA-N 1 2 215.243 2.598 20 0 BFADLO C[C@@H]([NH2+]CCF)c1ncc(-c2ccccc2)n1C ZINC000453210944 388011716 /nfs/dbraw/zinc/01/17/16/388011716.db2.gz KFBLIWRECQPEGO-LLVKDONJSA-N 1 2 247.317 2.707 20 0 BFADLO CC[C@@H](N[C@@H](C)c1[nH+]ccn1CC)C(F)F ZINC000453227107 388016049 /nfs/dbraw/zinc/01/60/49/388016049.db2.gz ARAWVRHHZCWGNM-DTWKUNHWSA-N 1 2 231.290 2.597 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(CO)c1 ZINC000453292546 388035523 /nfs/dbraw/zinc/03/55/23/388035523.db2.gz OEZXJYLXHBZDSP-NXEZZACHSA-N 1 2 243.297 2.873 20 0 BFADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(CO)c1 ZINC000453292547 388035876 /nfs/dbraw/zinc/03/58/76/388035876.db2.gz OEZXJYLXHBZDSP-UWVGGRQHSA-N 1 2 243.297 2.873 20 0 BFADLO CCc1nc(C[N@@H+]2CCC(CC)(CC)C2)no1 ZINC000446737022 388035971 /nfs/dbraw/zinc/03/59/71/388035971.db2.gz STLPZIWRYFZLDN-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CCC(CC)(CC)C2)no1 ZINC000446737022 388035976 /nfs/dbraw/zinc/03/59/76/388035976.db2.gz STLPZIWRYFZLDN-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO C[C@H]([N@H+](C)Cc1noc(C2CC2)n1)C(C)(C)C ZINC000533250125 388039957 /nfs/dbraw/zinc/03/99/57/388039957.db2.gz WBARMNQPRPJBGB-VIFPVBQESA-N 1 2 237.347 2.813 20 0 BFADLO C[C@H]([N@@H+](C)Cc1noc(C2CC2)n1)C(C)(C)C ZINC000533250125 388039960 /nfs/dbraw/zinc/03/99/60/388039960.db2.gz WBARMNQPRPJBGB-VIFPVBQESA-N 1 2 237.347 2.813 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C(C)C)C2)[nH+]1 ZINC000447067603 388052260 /nfs/dbraw/zinc/05/22/60/388052260.db2.gz IZPDZAUZEAIYDF-LLVKDONJSA-N 1 2 244.342 2.749 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ccco2)o1 ZINC000453368825 388060826 /nfs/dbraw/zinc/06/08/26/388060826.db2.gz MRBHVBUPMGCSHK-SECBINFHSA-N 1 2 220.272 2.681 20 0 BFADLO COc1cccnc1C[NH2+][C@H](C)c1ccco1 ZINC000453374647 388063192 /nfs/dbraw/zinc/06/31/92/388063192.db2.gz SLXOLAKYIFBKRO-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO CO[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)[C@@H](C)C1 ZINC000440670086 388065652 /nfs/dbraw/zinc/06/56/52/388065652.db2.gz MVCQUDVRLGXRCE-RYUDHWBXSA-N 1 2 249.358 2.604 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000645897886 388067122 /nfs/dbraw/zinc/06/71/22/388067122.db2.gz BBABIOVIDGKXEA-NEPJUHHUSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC000645897886 388067127 /nfs/dbraw/zinc/06/71/27/388067127.db2.gz BBABIOVIDGKXEA-NEPJUHHUSA-N 1 2 247.329 2.923 20 0 BFADLO CCn1c[nH+]cc1CNc1cccc(C)c1 ZINC000085182922 388084710 /nfs/dbraw/zinc/08/47/10/388084710.db2.gz LWVVHYYJHOBUJB-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCc1cccc(N(C)Cc2c[nH+]cn2C)c1 ZINC000453608464 388092220 /nfs/dbraw/zinc/09/22/20/388092220.db2.gz CKHVYVQTVWUCMC-UHFFFAOYSA-N 1 2 229.327 2.619 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+](C[C@@H](F)CC)C1CC1 ZINC000440506635 388047734 /nfs/dbraw/zinc/04/77/34/388047734.db2.gz RUYWSCKNGDMZBO-CMPLNLGQSA-N 1 2 245.338 2.541 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+](C[C@@H](F)CC)C1CC1 ZINC000440506635 388047737 /nfs/dbraw/zinc/04/77/37/388047737.db2.gz RUYWSCKNGDMZBO-CMPLNLGQSA-N 1 2 245.338 2.541 20 0 BFADLO Cc1ccc(NCc2cnn3ccccc23)c[nH+]1 ZINC000083366081 388048706 /nfs/dbraw/zinc/04/87/06/388048706.db2.gz NZJCHBRFMQVSTN-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CCC=CC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000453331045 388049696 /nfs/dbraw/zinc/04/96/96/388049696.db2.gz VJVGPKJRTZGROV-DLRQAJBASA-N 1 2 248.355 2.511 20 0 BFADLO Cc1nc(N[C@@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000195309240 388158000 /nfs/dbraw/zinc/15/80/00/388158000.db2.gz ORKNHPNOFSURCV-VIFPVBQESA-N 1 2 229.283 2.664 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2ccon2)c1F ZINC000449238128 388159976 /nfs/dbraw/zinc/15/99/76/388159976.db2.gz QGMYZGVXJIWPRN-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO FCC(CF)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000449379180 388187786 /nfs/dbraw/zinc/18/77/86/388187786.db2.gz HDLISIMFYJDVRR-UHFFFAOYSA-N 1 2 237.652 2.876 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cccc(C)c2F)n1 ZINC000449279315 388166439 /nfs/dbraw/zinc/16/64/39/388166439.db2.gz PIRAWKYITUNVIH-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CC1=CCCC1 ZINC000645909681 388177214 /nfs/dbraw/zinc/17/72/14/388177214.db2.gz TYICTFBYVQQQTE-ONGXEEELSA-N 1 2 249.276 2.748 20 0 BFADLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CC1=CCCC1 ZINC000645909681 388177216 /nfs/dbraw/zinc/17/72/16/388177216.db2.gz TYICTFBYVQQQTE-ONGXEEELSA-N 1 2 249.276 2.748 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)C(F)F ZINC000449359400 388181234 /nfs/dbraw/zinc/18/12/34/388181234.db2.gz HSXRLLIWSZPTBM-SECBINFHSA-N 1 2 245.269 2.534 20 0 BFADLO CC[C@H]([NH2+]C/C=C/c1ccncc1)C(F)F ZINC000449364123 388182510 /nfs/dbraw/zinc/18/25/10/388182510.db2.gz RBCPXZKWEXKIMH-UFFNRZRYSA-N 1 2 226.270 2.728 20 0 BFADLO CC[C@H]([NH2+]C/C=C\c1ccncc1)C(F)F ZINC000449364119 388182698 /nfs/dbraw/zinc/18/26/98/388182698.db2.gz RBCPXZKWEXKIMH-BYCRGOAPSA-N 1 2 226.270 2.728 20 0 BFADLO CC[C@H]([NH2+]Cc1occc1C)C(F)F ZINC000449364369 388183445 /nfs/dbraw/zinc/18/34/45/388183445.db2.gz RSVQOSLDDQQFBK-QMMMGPOBSA-N 1 2 203.232 2.721 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C)cn1)C(F)F ZINC000449366544 388183662 /nfs/dbraw/zinc/18/36/62/388183662.db2.gz YWUJZCJVSRZZHK-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CCc1cccc(F)c1C[NH2+]C(CF)CF ZINC000449379937 388184749 /nfs/dbraw/zinc/18/47/49/388184749.db2.gz KXGNPOFGFNOHSH-UHFFFAOYSA-N 1 2 231.261 2.785 20 0 BFADLO CCC1(NC(=O)CCn2cc[nH+]c2)CCCCC1 ZINC000456210218 388185484 /nfs/dbraw/zinc/18/54/84/388185484.db2.gz DWUBUWKAYXSDMN-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CC(C)(C)C ZINC000455039806 388146203 /nfs/dbraw/zinc/14/62/03/388146203.db2.gz VVYHWVUPOIAXMA-LLVKDONJSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456353896 388196625 /nfs/dbraw/zinc/19/66/25/388196625.db2.gz MWHWUOQJIOCYTR-QWRGUYRKSA-N 1 2 237.347 2.516 20 0 BFADLO CC[C@@H](C)CC(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456353894 388196884 /nfs/dbraw/zinc/19/68/84/388196884.db2.gz MWHWUOQJIOCYTR-GHMZBOCLSA-N 1 2 237.347 2.516 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456367653 388197770 /nfs/dbraw/zinc/19/77/70/388197770.db2.gz WXNCXMRFFWLRBQ-QJPTWQEYSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)Cn1cc(C[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000449415862 388198870 /nfs/dbraw/zinc/19/88/70/388198870.db2.gz QVICJXDWWLVZPX-SNVBAGLBSA-N 1 2 245.317 2.672 20 0 BFADLO C[C@@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000456404925 388199578 /nfs/dbraw/zinc/19/95/78/388199578.db2.gz XCZMSNWVKDNPEO-OUAUKWLOSA-N 1 2 249.358 2.687 20 0 BFADLO CC(C)CCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456434482 388201209 /nfs/dbraw/zinc/20/12/09/388201209.db2.gz UVEYXYPWFJTSOP-VXGBXAGGSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(C)(C)CC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456426906 388201425 /nfs/dbraw/zinc/20/14/25/388201425.db2.gz QTXMKZFEQYXCIO-WDEREUQCSA-N 1 2 249.358 2.831 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@@H](C)C(C)C)c[nH+]1 ZINC000456836383 388226603 /nfs/dbraw/zinc/22/66/03/388226603.db2.gz KCQBIEHPWYGPPJ-LLVKDONJSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(C)c(CNC(=O)C(C)(C)C(C)C)c[nH+]1 ZINC000456839353 388226685 /nfs/dbraw/zinc/22/66/85/388226685.db2.gz MRVAYWARRZNHCJ-UHFFFAOYSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@H]2C(C)C)c[nH+]1 ZINC000456852946 388228120 /nfs/dbraw/zinc/22/81/20/388228120.db2.gz XTEPLJCZCUCDAV-KBPBESRZSA-N 1 2 246.354 2.607 20 0 BFADLO Cc1cc(C)c(CNC(=O)CC(C)(C)C)c[nH+]1 ZINC000456862173 388228355 /nfs/dbraw/zinc/22/83/55/388228355.db2.gz PQUNALYQJWMIMZ-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2C[C@@H]2C(C)C)c[nH+]1 ZINC000456852948 388228379 /nfs/dbraw/zinc/22/83/79/388228379.db2.gz XTEPLJCZCUCDAV-KGLIPLIRSA-N 1 2 246.354 2.607 20 0 BFADLO CC(C)c1nc(N2CC[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000490023535 388231346 /nfs/dbraw/zinc/23/13/46/388231346.db2.gz FRVNSVBTNPNROG-VXGBXAGGSA-N 1 2 231.343 2.979 20 0 BFADLO CC(C)c1nc(N2CC[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000490023531 388231561 /nfs/dbraw/zinc/23/15/61/388231561.db2.gz FRVNSVBTNPNROG-NWDGAFQWSA-N 1 2 231.343 2.979 20 0 BFADLO CCc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)o1 ZINC000449570775 388235921 /nfs/dbraw/zinc/23/59/21/388235921.db2.gz KKDDYVLCAJFSHK-GWCFXTLKSA-N 1 2 245.326 2.834 20 0 BFADLO CCc1ncc(C[NH2+]Cc2ccccc2F)o1 ZINC000449610655 388242566 /nfs/dbraw/zinc/24/25/66/388242566.db2.gz ROSQLSKAJNQECL-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO C[C@H](O)C[N@H+](CCC1CCCCC1)CC(F)F ZINC000449631909 388246051 /nfs/dbraw/zinc/24/60/51/388246051.db2.gz QAFBBZFOQHRZHZ-NSHDSACASA-N 1 2 249.345 2.905 20 0 BFADLO C[C@H](O)C[N@@H+](CCC1CCCCC1)CC(F)F ZINC000449631909 388246053 /nfs/dbraw/zinc/24/60/53/388246053.db2.gz QAFBBZFOQHRZHZ-NSHDSACASA-N 1 2 249.345 2.905 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275554521 388344772 /nfs/dbraw/zinc/34/47/72/388344772.db2.gz FCZUTZWYVZYJDY-YPMHNXCESA-N 1 2 244.342 2.617 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)cc1 ZINC000275755302 388345641 /nfs/dbraw/zinc/34/56/41/388345641.db2.gz SJLSKQAUFUXOQX-NWDGAFQWSA-N 1 2 244.342 2.535 20 0 BFADLO C[C@@]1(O)CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000163560269 388365057 /nfs/dbraw/zinc/36/50/57/388365057.db2.gz AFPQVJKBXIHRLI-OAHLLOKOSA-N 1 2 242.322 2.586 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(F)c(F)c1 ZINC000237367422 388393969 /nfs/dbraw/zinc/39/39/69/388393969.db2.gz WWLZLIQRDKJHHL-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO Fc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1F ZINC000294235221 388396411 /nfs/dbraw/zinc/39/64/11/388396411.db2.gz VRXFPZTWWLPKTD-LLVKDONJSA-N 1 2 235.237 2.718 20 0 BFADLO Cc1ccc(F)cc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294274599 388397451 /nfs/dbraw/zinc/39/74/51/388397451.db2.gz YCTBBNIPQGCBKA-LLVKDONJSA-N 1 2 231.274 2.888 20 0 BFADLO Nc1ccc(NC(=O)/C=C/C2CCCCC2)c[nH+]1 ZINC000238132640 388399998 /nfs/dbraw/zinc/39/99/98/388399998.db2.gz OPDRVOIYKPFCKH-RMKNXTFCSA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)[C@@H](C)O1 ZINC000294637060 388402236 /nfs/dbraw/zinc/40/22/36/388402236.db2.gz ATBVNBYROHZDDC-GYSYKLTISA-N 1 2 234.343 2.730 20 0 BFADLO CC(C)CC[N@H+](C)[C@@H](C)c1csnn1 ZINC000649252007 388470373 /nfs/dbraw/zinc/47/03/73/388470373.db2.gz WKHZYEJLTGWPKO-VIFPVBQESA-N 1 2 213.350 2.577 20 0 BFADLO CC(C)CC[N@@H+](C)[C@@H](C)c1csnn1 ZINC000649252007 388470374 /nfs/dbraw/zinc/47/03/74/388470374.db2.gz WKHZYEJLTGWPKO-VIFPVBQESA-N 1 2 213.350 2.577 20 0 BFADLO CC(C)CC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000649251908 388470756 /nfs/dbraw/zinc/47/07/56/388470756.db2.gz DVWHOPUFGJDBFL-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000649251908 388470759 /nfs/dbraw/zinc/47/07/59/388470759.db2.gz DVWHOPUFGJDBFL-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134310307 388476432 /nfs/dbraw/zinc/47/64/32/388476432.db2.gz MCIHQOBGFCBGOA-RKDXNWHRSA-N 1 2 226.345 2.639 20 0 BFADLO O[C@H](CNc1ccc2ccccc2[nH+]1)C1CCC1 ZINC000316278639 388408021 /nfs/dbraw/zinc/40/80/21/388408021.db2.gz JNHBXLJBOKVADT-CQSZACIVSA-N 1 2 242.322 2.808 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCc1ccoc1 ZINC000175390554 388430901 /nfs/dbraw/zinc/43/09/01/388430901.db2.gz NKMONMXEFWHWEQ-UHFFFAOYSA-N 1 2 230.267 2.554 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)F)[C@H]1CC1(C)C ZINC000397627981 388485416 /nfs/dbraw/zinc/48/54/16/388485416.db2.gz NEDVFWFJSJBWAX-SFYZADRCSA-N 1 2 209.255 2.963 20 0 BFADLO CC(C)[N@H+](CCOCC(F)(F)F)CC(F)F ZINC000135407468 388494057 /nfs/dbraw/zinc/49/40/57/388494057.db2.gz ZCCZJAFSWABPBB-UHFFFAOYSA-N 1 2 249.223 2.541 20 0 BFADLO CC(C)[N@@H+](CCOCC(F)(F)F)CC(F)F ZINC000135407468 388494059 /nfs/dbraw/zinc/49/40/59/388494059.db2.gz ZCCZJAFSWABPBB-UHFFFAOYSA-N 1 2 249.223 2.541 20 0 BFADLO O[C@H]1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000378750249 388495177 /nfs/dbraw/zinc/49/51/77/388495177.db2.gz UJOZUXXUSBKMGQ-ZDUSSCGKSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccsc2Cl)o1 ZINC000397858102 388506565 /nfs/dbraw/zinc/50/65/65/388506565.db2.gz CBNWVKAIIHWFJS-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO C[C@@H]1CC[C@H](CNc2ccc3ccccc3[nH+]2)O1 ZINC000397900582 388510088 /nfs/dbraw/zinc/51/00/88/388510088.db2.gz SBKKCGGXOJWUFQ-DGCLKSJQSA-N 1 2 242.322 2.636 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccco1 ZINC000345351969 388512350 /nfs/dbraw/zinc/51/23/50/388512350.db2.gz PEIHYKSMFSMLBF-GARJFASQSA-N 1 2 231.299 2.833 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@H](C)C2CC2)[nH+]1 ZINC000517068354 256814134 /nfs/dbraw/zinc/81/41/34/256814134.db2.gz HNGCDALDSHFBMI-MRVPVSSYSA-N 1 2 230.315 2.501 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ncccc2Cl)C[C@@H]1F ZINC000528438345 388525739 /nfs/dbraw/zinc/52/57/39/388525739.db2.gz JOANNWNWTGAYRF-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ncccc2Cl)C[C@@H]1F ZINC000528438345 388525742 /nfs/dbraw/zinc/52/57/42/388525742.db2.gz JOANNWNWTGAYRF-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480609 388531992 /nfs/dbraw/zinc/53/19/92/388531992.db2.gz GKTWJJYUODYBTD-GWZUUTHWSA-N 1 2 225.723 2.689 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000528480609 388531994 /nfs/dbraw/zinc/53/19/94/388531994.db2.gz GKTWJJYUODYBTD-GWZUUTHWSA-N 1 2 225.723 2.689 20 0 BFADLO c1ccc(N2C[C@@H]3CCCC[C@H]3C2)[nH+]c1 ZINC000301588826 388596560 /nfs/dbraw/zinc/59/65/60/388596560.db2.gz WXXZPCFRRWKAAP-RYUDHWBXSA-N 1 2 202.301 2.708 20 0 BFADLO COC1(C(=O)Nc2cc[nH+]c(C)c2)CCCCC1 ZINC000186026015 388596830 /nfs/dbraw/zinc/59/68/30/388596830.db2.gz ZAIZBBQAJZKLCB-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO Cc1nc(CCNc2cccc[nH+]2)cs1 ZINC000220210252 388602265 /nfs/dbraw/zinc/60/22/65/388602265.db2.gz IQMLXJCXMQROBE-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO CCO[C@H](C)c1nccn1Cc1cc[nH+]cc1C ZINC000530106914 388608777 /nfs/dbraw/zinc/60/87/77/388608777.db2.gz ATWDZERZAVJLQY-GFCCVEGCSA-N 1 2 245.326 2.732 20 0 BFADLO CCCOCn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000530110710 388609480 /nfs/dbraw/zinc/60/94/80/388609480.db2.gz PCOAYBNDGUZJMP-GHMZBOCLSA-N 1 2 222.332 2.638 20 0 BFADLO CCOc1cncc(C[NH2+]CC(F)(F)CC)c1 ZINC000623679038 388614248 /nfs/dbraw/zinc/61/42/48/388614248.db2.gz GIWSTKFRCHEIKA-UHFFFAOYSA-N 1 2 244.285 2.615 20 0 BFADLO FC(F)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528651395 388555852 /nfs/dbraw/zinc/55/58/52/388555852.db2.gz RQWPGYDZTDBDMT-LBPRGKRZSA-N 1 2 226.270 2.778 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@@H]2C)oc1C ZINC000528768893 388570328 /nfs/dbraw/zinc/57/03/28/388570328.db2.gz OWFFCNFFJYHVKU-QMMMGPOBSA-N 1 2 244.285 2.911 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)oc1C ZINC000528768893 388570331 /nfs/dbraw/zinc/57/03/31/388570331.db2.gz OWFFCNFFJYHVKU-QMMMGPOBSA-N 1 2 244.285 2.911 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@H]2C)co1 ZINC000528772133 388571959 /nfs/dbraw/zinc/57/19/59/388571959.db2.gz KRJSSYPSWVGGFT-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@H]2C)co1 ZINC000528772133 388571960 /nfs/dbraw/zinc/57/19/60/388571960.db2.gz KRJSSYPSWVGGFT-MRVPVSSYSA-N 1 2 230.258 2.603 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000245458705 388581813 /nfs/dbraw/zinc/58/18/13/388581813.db2.gz CZVYDZHBPJKJDT-XQQFMLRXSA-N 1 2 249.354 2.720 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000247486687 388665558 /nfs/dbraw/zinc/66/55/58/388665558.db2.gz KPVDYWMYJLTKQF-JQWIXIFHSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000247486687 388665560 /nfs/dbraw/zinc/66/55/60/388665560.db2.gz KPVDYWMYJLTKQF-JQWIXIFHSA-N 1 2 247.342 2.712 20 0 BFADLO Fc1cc(Cl)cc(NCc2[nH]cc[nH+]2)c1 ZINC000124902644 388666972 /nfs/dbraw/zinc/66/69/72/388666972.db2.gz GMSBDPPKGHYAIU-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO c1cnc2c(c1)C[N@@H+](CCOCC1CCCC1)C2 ZINC000521616335 388618923 /nfs/dbraw/zinc/61/89/23/388618923.db2.gz QSKUWZYEEUAILN-UHFFFAOYSA-N 1 2 246.354 2.604 20 0 BFADLO c1cnc2c(c1)C[N@H+](CCOCC1CCCC1)C2 ZINC000521616335 388618926 /nfs/dbraw/zinc/61/89/26/388618926.db2.gz QSKUWZYEEUAILN-UHFFFAOYSA-N 1 2 246.354 2.604 20 0 BFADLO Cc1cc2[nH+]cn(CCn3cccn3)c2cc1C ZINC000067712126 388738967 /nfs/dbraw/zinc/73/89/67/388738967.db2.gz UFHAYNPUYCEKJS-UHFFFAOYSA-N 1 2 240.310 2.550 20 0 BFADLO C[C@H]1C[N@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000249257098 388712673 /nfs/dbraw/zinc/71/26/73/388712673.db2.gz HYZRXKSCGYPXBP-SMDDNHRTSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000249257098 388712676 /nfs/dbraw/zinc/71/26/76/388712676.db2.gz HYZRXKSCGYPXBP-SMDDNHRTSA-N 1 2 228.295 2.868 20 0 BFADLO Cc1nc(C[N@@H+](C)C2CCC(C)(C)CC2)no1 ZINC000127713566 388729789 /nfs/dbraw/zinc/72/97/89/388729789.db2.gz CTQOXVPUBUWEOQ-UHFFFAOYSA-N 1 2 237.347 2.779 20 0 BFADLO Cc1nc(C[N@H+](C)C2CCC(C)(C)CC2)no1 ZINC000127713566 388729792 /nfs/dbraw/zinc/72/97/92/388729792.db2.gz CTQOXVPUBUWEOQ-UHFFFAOYSA-N 1 2 237.347 2.779 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc(F)ccc2F)[C@@H](C)CO1 ZINC000249723086 388731680 /nfs/dbraw/zinc/73/16/80/388731680.db2.gz OAXHBTFAAKINNT-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2F)[C@@H](C)CO1 ZINC000249723086 388731683 /nfs/dbraw/zinc/73/16/83/388731683.db2.gz OAXHBTFAAKINNT-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2F)[C@@H](C)CO1 ZINC000249723088 388732055 /nfs/dbraw/zinc/73/20/55/388732055.db2.gz OAXHBTFAAKINNT-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2F)[C@@H](C)CO1 ZINC000249723088 388732060 /nfs/dbraw/zinc/73/20/60/388732060.db2.gz OAXHBTFAAKINNT-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2cscn2)on1 ZINC000127869713 388733439 /nfs/dbraw/zinc/73/34/39/388733439.db2.gz FWERWVWJRKFKSL-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000129241256 388827824 /nfs/dbraw/zinc/82/78/24/388827824.db2.gz MKOUCFYSVDYDJB-MFKMUULPSA-N 1 2 218.300 2.765 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)o1 ZINC000541690920 388864296 /nfs/dbraw/zinc/86/42/96/388864296.db2.gz SPPNZXDYUWZYSE-DTWKUNHWSA-N 1 2 249.289 2.929 20 0 BFADLO CC[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)OC(C)(C)C ZINC000555437890 388850017 /nfs/dbraw/zinc/85/00/17/388850017.db2.gz FFCASZXMNMZSAA-LLVKDONJSA-N 1 2 239.359 2.639 20 0 BFADLO CC[C@@H]1CCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000565048018 388910753 /nfs/dbraw/zinc/91/07/53/388910753.db2.gz QLJRZQDWISUJFL-YNEHKIRRSA-N 1 2 249.358 2.529 20 0 BFADLO c1csc(CCCNc2cccc[nH+]2)n1 ZINC000265435952 388993479 /nfs/dbraw/zinc/99/34/79/388993479.db2.gz GWJVTSWEXHQFSK-UHFFFAOYSA-N 1 2 219.313 2.583 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C1CCCCCCC1 ZINC000267186534 388999647 /nfs/dbraw/zinc/99/96/47/388999647.db2.gz JMSGYOKHBYJILQ-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO Cc1c[nH+]cc(NC2CC(OC(C)C)C2)c1 ZINC000275108732 389051874 /nfs/dbraw/zinc/05/18/74/389051874.db2.gz FRAYAEDGXXAGDX-UHFFFAOYSA-N 1 2 220.316 2.758 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccnc2)s1 ZINC000273713393 389041995 /nfs/dbraw/zinc/04/19/95/389041995.db2.gz QKKNMQFIEPWVHD-IUCAKERBSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1cc(CNC(=O)/C=C\C(C)(C)C)cc(C)[nH+]1 ZINC000493795445 533642030 /nfs/dbraw/zinc/64/20/30/533642030.db2.gz UBINLGCTYHMPSC-SREVYHEPSA-N 1 2 246.354 2.917 20 0 BFADLO C[C@H]1CCc2ccccc2N1Cc1c[nH+]cn1C ZINC000267101847 132188265 /nfs/dbraw/zinc/18/82/65/132188265.db2.gz YAPFTBOZKWWNOO-LBPRGKRZSA-N 1 2 241.338 2.761 20 0 BFADLO c1cc([C@@H]2CN(c3cccc[nH+]3)CCO2)cs1 ZINC000268220544 132191870 /nfs/dbraw/zinc/19/18/70/132191870.db2.gz RAJDNZPVYRYLGA-LBPRGKRZSA-N 1 2 246.335 2.721 20 0 BFADLO CCC[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000273312244 132201934 /nfs/dbraw/zinc/20/19/34/132201934.db2.gz NRDXFBJGUGBLSY-LBPRGKRZSA-N 1 2 219.332 2.944 20 0 BFADLO C[C@]1(F)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000294944737 132220131 /nfs/dbraw/zinc/22/01/31/132220131.db2.gz LXGORYIHEJCDJQ-ZDUSSCGKSA-N 1 2 235.306 2.682 20 0 BFADLO BrC1=CCCN(c2cccc[nH+]2)C1 ZINC000281713960 132238722 /nfs/dbraw/zinc/23/87/22/132238722.db2.gz UVSLHEFXXAQZHZ-UHFFFAOYSA-N 1 2 239.116 2.571 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](O)C1 ZINC000063106450 132241551 /nfs/dbraw/zinc/24/15/51/132241551.db2.gz FSSBVUYWQKWYRE-CYBMUJFWSA-N 1 2 242.322 2.504 20 0 BFADLO Cc1cc(N2CCC[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC000336571390 132248908 /nfs/dbraw/zinc/24/89/08/132248908.db2.gz VNKVHYOCSBTNIQ-LLVKDONJSA-N 1 2 235.306 2.601 20 0 BFADLO Cc1nc(N2CCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301457326 132254002 /nfs/dbraw/zinc/25/40/02/132254002.db2.gz XDAZAWPPBFVBQK-SECBINFHSA-N 1 2 219.332 2.638 20 0 BFADLO Cc1nc(N2CCC(C)=C(C)C2)c(C)c(C)[nH+]1 ZINC000360274842 132278604 /nfs/dbraw/zinc/27/86/04/132278604.db2.gz MXQBQAAFQFVZBY-UHFFFAOYSA-N 1 2 231.343 2.948 20 0 BFADLO c1ccc(N2CCO[C@@H](C3CCCCC3)C2)[nH+]c1 ZINC000374914074 132287303 /nfs/dbraw/zinc/28/73/03/132287303.db2.gz QXZVFRKEBIVANM-CQSZACIVSA-N 1 2 246.354 2.867 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000020143812 132330172 /nfs/dbraw/zinc/33/01/72/132330172.db2.gz MYINFMWMOUXAMB-GFCCVEGCSA-N 1 2 246.354 2.734 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)no1 ZINC000334727705 133741694 /nfs/dbraw/zinc/74/16/94/133741694.db2.gz MGVZYMLYSMWJPN-HZMBPMFUSA-N 1 2 244.294 2.595 20 0 BFADLO CCCC1(C(=O)Nc2c[nH+]ccc2OC)CCC1 ZINC000345679669 133784333 /nfs/dbraw/zinc/78/43/33/133784333.db2.gz WGFPPQWZXTWTFW-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO Cc1nc(C)n(Cc2ccc(C(C)C)[nH+]c2C)n1 ZINC000335925968 134008598 /nfs/dbraw/zinc/00/85/98/134008598.db2.gz FVRYFVXTYFUZGZ-UHFFFAOYSA-N 1 2 244.342 2.770 20 0 BFADLO CCc1nc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)no1 ZINC000335946485 134020684 /nfs/dbraw/zinc/02/06/84/134020684.db2.gz SZQQUDNPGBYYPL-LLVKDONJSA-N 1 2 249.358 2.644 20 0 BFADLO CCc1nc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)no1 ZINC000335946485 134020685 /nfs/dbraw/zinc/02/06/85/134020685.db2.gz SZQQUDNPGBYYPL-LLVKDONJSA-N 1 2 249.358 2.644 20 0 BFADLO Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(C)c(C)c1 ZINC000336045243 134063587 /nfs/dbraw/zinc/06/35/87/134063587.db2.gz HPWFYSOYMNOIBN-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(C2CCCC2)no1 ZINC000336055575 134066261 /nfs/dbraw/zinc/06/62/61/134066261.db2.gz SHXKGPBOKKOGDE-UWVGGRQHSA-N 1 2 235.331 2.710 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(C2CCCC2)no1 ZINC000336055574 134066487 /nfs/dbraw/zinc/06/64/87/134066487.db2.gz SHXKGPBOKKOGDE-NXEZZACHSA-N 1 2 235.331 2.710 20 0 BFADLO Cc1ccc2c(c1)CCN(c1cc[nH+]c(C)n1)C2 ZINC000336068815 134071093 /nfs/dbraw/zinc/07/10/93/134071093.db2.gz BZTFPGFMICNYHQ-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C[C@H]3C[C@H]3C)cc2[nH+]1 ZINC000352144600 134081933 /nfs/dbraw/zinc/08/19/33/134081933.db2.gz ALLUATIVLFFZMI-PSASIEDQSA-N 1 2 243.310 2.856 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CC[C@H](C)C2)c(C)[nH+]1 ZINC000336145445 134102155 /nfs/dbraw/zinc/10/21/55/134102155.db2.gz ZZYVXCQICUZXFU-VIFPVBQESA-N 1 2 247.342 2.881 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)no1 ZINC000336176354 134117160 /nfs/dbraw/zinc/11/71/60/134117160.db2.gz GLJLTPYPZWBFIN-SNVBAGLBSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@](C)(F)C2)[nH+]1 ZINC000336185185 134121157 /nfs/dbraw/zinc/12/11/57/134121157.db2.gz SRAWZXLYUSVGTP-CYBMUJFWSA-N 1 2 248.305 2.595 20 0 BFADLO CC1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000336190324 134123429 /nfs/dbraw/zinc/12/34/29/134123429.db2.gz DKTAORMHCYPMKO-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO c1nnc([C@@H]2CCCC[N@H+]2CC2=CCCCC2)[nH]1 ZINC000336199545 134128586 /nfs/dbraw/zinc/12/85/86/134128586.db2.gz IXEADBWVYZYGNJ-ZDUSSCGKSA-N 1 2 246.358 2.832 20 0 BFADLO c1nnc([C@@H]2CCCC[N@@H+]2CC2=CCCCC2)[nH]1 ZINC000336199545 134128587 /nfs/dbraw/zinc/12/85/87/134128587.db2.gz IXEADBWVYZYGNJ-ZDUSSCGKSA-N 1 2 246.358 2.832 20 0 BFADLO CS[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000336202890 134131191 /nfs/dbraw/zinc/13/11/91/134131191.db2.gz OXPPFJINDFTQQF-SNVBAGLBSA-N 1 2 237.372 2.542 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000180154576 134327764 /nfs/dbraw/zinc/32/77/64/134327764.db2.gz OYDWLTVPCJUSFY-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000180154576 134327765 /nfs/dbraw/zinc/32/77/65/134327765.db2.gz OYDWLTVPCJUSFY-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000180154576 134327766 /nfs/dbraw/zinc/32/77/66/134327766.db2.gz OYDWLTVPCJUSFY-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000180154576 134327767 /nfs/dbraw/zinc/32/77/67/134327767.db2.gz OYDWLTVPCJUSFY-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO CC[C@@H](C)[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000183082245 134350412 /nfs/dbraw/zinc/35/04/12/134350412.db2.gz IRDNABNZRBVBKI-MNOVXSKESA-N 1 2 249.358 2.768 20 0 BFADLO Cc1ccc(NCc2cc(O)cc(F)c2)c[nH+]1 ZINC000184144046 134359194 /nfs/dbraw/zinc/35/91/94/134359194.db2.gz RLELOYUIYIETOR-UHFFFAOYSA-N 1 2 232.258 2.847 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C1CC1 ZINC000227768861 134393294 /nfs/dbraw/zinc/39/32/94/134393294.db2.gz OYQGREIWEHERQQ-RISCZKNCSA-N 1 2 247.338 2.597 20 0 BFADLO FC(F)(C[NH2+]Cc1ccncc1)c1ccccc1 ZINC000227898820 134397830 /nfs/dbraw/zinc/39/78/30/134397830.db2.gz XKUODDKEDDAUCA-UHFFFAOYSA-N 1 2 248.276 2.963 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](C)CC2)no1 ZINC000068827854 134895465 /nfs/dbraw/zinc/89/54/65/134895465.db2.gz FSYPEIUXJJYIMA-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H](C)CC2)no1 ZINC000068827854 134895466 /nfs/dbraw/zinc/89/54/66/134895466.db2.gz FSYPEIUXJJYIMA-NSHDSACASA-N 1 2 237.347 2.815 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149574 135012930 /nfs/dbraw/zinc/01/29/30/135012930.db2.gz LQFVDTDVKVTUOO-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149574 135012933 /nfs/dbraw/zinc/01/29/33/135012933.db2.gz LQFVDTDVKVTUOO-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncccn2)[C@H]1c1ccccc1 ZINC000248820979 135022745 /nfs/dbraw/zinc/02/27/45/135022745.db2.gz FORYSVHFKDQHII-IUODEOHRSA-N 1 2 239.322 2.670 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncccn2)[C@H]1c1ccccc1 ZINC000248820979 135022746 /nfs/dbraw/zinc/02/27/46/135022746.db2.gz FORYSVHFKDQHII-IUODEOHRSA-N 1 2 239.322 2.670 20 0 BFADLO CC[N@@H+]1CCC[C@H](N[C@H](C)c2cccc(O)c2)C1 ZINC000249612944 135042375 /nfs/dbraw/zinc/04/23/75/135042375.db2.gz HHUWMKKHGIXMTF-OCCSQVGLSA-N 1 2 248.370 2.527 20 0 BFADLO CC[N@H+]1CCC[C@H](N[C@H](C)c2cccc(O)c2)C1 ZINC000249612944 135042376 /nfs/dbraw/zinc/04/23/76/135042376.db2.gz HHUWMKKHGIXMTF-OCCSQVGLSA-N 1 2 248.370 2.527 20 0 BFADLO CCO[C@H](C)c1nc(C[NH+]2CCCC2)cs1 ZINC000076715273 135048145 /nfs/dbraw/zinc/04/81/45/135048145.db2.gz PLDYZEKMKGGCAD-SNVBAGLBSA-N 1 2 240.372 2.836 20 0 BFADLO Cc1cc(N[C@@H]2CCCC2(C)C)nc[nH+]1 ZINC000086831404 135097555 /nfs/dbraw/zinc/09/75/55/135097555.db2.gz XLAOTHHPEWEWSZ-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000252734182 135104856 /nfs/dbraw/zinc/10/48/56/135104856.db2.gz HOIPEJSXYMFQRS-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000252734182 135104857 /nfs/dbraw/zinc/10/48/57/135104857.db2.gz HOIPEJSXYMFQRS-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cscc1CNc1cc[nH+]c(C)n1 ZINC000087311134 135123652 /nfs/dbraw/zinc/12/36/52/135123652.db2.gz JNRRVNWCOJVZIU-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000254955655 135127362 /nfs/dbraw/zinc/12/73/62/135127362.db2.gz BNDVOCWTSVBNCT-ZZKXABKFSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000254955655 135127363 /nfs/dbraw/zinc/12/73/63/135127363.db2.gz BNDVOCWTSVBNCT-ZZKXABKFSA-N 1 2 235.302 2.560 20 0 BFADLO C(=C\c1ccccc1)\COCc1[nH]cc[nH+]1 ZINC000255154377 135128196 /nfs/dbraw/zinc/12/81/96/135128196.db2.gz SXLRKHZFDOXBQP-DAXSKMNVSA-N 1 2 214.268 2.640 20 0 BFADLO CN(Cc1ccncc1)c1[nH]c2ccccc2[nH+]1 ZINC000258917054 135135111 /nfs/dbraw/zinc/13/51/11/135135111.db2.gz WBACCCXWPJCUBU-UHFFFAOYSA-N 1 2 238.294 2.594 20 0 BFADLO c1ccc(NC[C@@H]2CCCCS2)[nH+]c1 ZINC000087686156 135165353 /nfs/dbraw/zinc/16/53/53/135165353.db2.gz JHTVGKAREUMQTQ-JTQLQIEISA-N 1 2 208.330 2.779 20 0 BFADLO Cc1ccc([C@@H]([NH3+])c2nc(C(C)(C)C)no2)cc1 ZINC000261900313 135261203 /nfs/dbraw/zinc/26/12/03/135261203.db2.gz YNTKZPGECDCHQN-LLVKDONJSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1ccc2[nH+]c(CSc3ncc[nH]3)cn2c1 ZINC000078990929 135265491 /nfs/dbraw/zinc/26/54/91/135265491.db2.gz MDKSDZTUCWZNDA-UHFFFAOYSA-N 1 2 244.323 2.658 20 0 BFADLO CN(Cc1ccoc1)c1[nH]c2ccccc2[nH+]1 ZINC000342702666 135312402 /nfs/dbraw/zinc/31/24/02/135312402.db2.gz FZWVHCVCDBYNKO-UHFFFAOYSA-N 1 2 227.267 2.792 20 0 BFADLO CCC1CC([NH2+]c2ccc(-n3ccnn3)cc2)C1 ZINC000342783376 135317465 /nfs/dbraw/zinc/31/74/65/135317465.db2.gz PKJRMYOLOMQKGM-UHFFFAOYSA-N 1 2 242.326 2.868 20 0 BFADLO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccn[nH]1 ZINC000342789514 135318947 /nfs/dbraw/zinc/31/89/47/135318947.db2.gz CBMIXGADDXXQNI-GFCCVEGCSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1c[nH+]c(CN(C)Cc2ccc(C)cc2)n1C ZINC000342800055 135320352 /nfs/dbraw/zinc/32/03/52/135320352.db2.gz QEEZKMYRMPVUJG-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)cc2)n1C ZINC000342800055 135320353 /nfs/dbraw/zinc/32/03/53/135320353.db2.gz QEEZKMYRMPVUJG-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)cc2)n1C ZINC000342800055 135320354 /nfs/dbraw/zinc/32/03/54/135320354.db2.gz QEEZKMYRMPVUJG-UHFFFAOYSA-N 1 2 243.354 2.669 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)C[C@@H]1C ZINC000334164329 135321801 /nfs/dbraw/zinc/32/18/01/135321801.db2.gz ACKDFMYLPJZDGI-KOLCDFICSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@H](C)C[C@H]1C ZINC000334164330 135321882 /nfs/dbraw/zinc/32/18/82/135321882.db2.gz ACKDFMYLPJZDGI-MWLCHTKSSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H]2CCc3ccccc32)n1 ZINC000334164671 135323043 /nfs/dbraw/zinc/32/30/43/135323043.db2.gz AFCYKMJKNKSWSJ-NOZJJQNGSA-N 1 2 243.310 2.716 20 0 BFADLO Cc1c[nH+]c(CN2CCC[C@H]2c2ccco2)n1C ZINC000342775299 135327036 /nfs/dbraw/zinc/32/70/36/135327036.db2.gz FCSHBSIDNUQRHO-LBPRGKRZSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccco2)n1C ZINC000342775299 135327037 /nfs/dbraw/zinc/32/70/37/135327037.db2.gz FCSHBSIDNUQRHO-LBPRGKRZSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccco2)n1C ZINC000342775299 135327038 /nfs/dbraw/zinc/32/70/38/135327038.db2.gz FCSHBSIDNUQRHO-LBPRGKRZSA-N 1 2 245.326 2.659 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(N2CCCC2)nc[nH+]1 ZINC000343152873 135365550 /nfs/dbraw/zinc/36/55/50/135365550.db2.gz JFNJHVULIOFCHY-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC000343152873 135365552 /nfs/dbraw/zinc/36/55/52/135365552.db2.gz JFNJHVULIOFCHY-NEPJUHHUSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2cnccn2)n1 ZINC000080271873 135368378 /nfs/dbraw/zinc/36/83/78/135368378.db2.gz UIRMUZFCEHQECE-UWVGGRQHSA-N 1 2 248.355 2.653 20 0 BFADLO F[C@@H]1CCCC[C@H]1[NH2+]Cc1cscn1 ZINC000306790477 135378792 /nfs/dbraw/zinc/37/87/92/135378792.db2.gz VTDFUWDDSSHSAJ-NXEZZACHSA-N 1 2 214.309 2.513 20 0 BFADLO Cc1nc([C@H](C)[NH+]2CCC(C)(C)CC2)no1 ZINC000334574486 135731631 /nfs/dbraw/zinc/73/16/31/135731631.db2.gz HRLWYDAJYAVBDN-VIFPVBQESA-N 1 2 223.320 2.561 20 0 BFADLO FC1(F)CCC[C@@H]1COc1cc[nH+]cc1 ZINC000334956496 135850064 /nfs/dbraw/zinc/85/00/64/135850064.db2.gz OKGXPUPQVOTMIC-SECBINFHSA-N 1 2 213.227 2.896 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCCO1 ZINC000347856046 136015811 /nfs/dbraw/zinc/01/58/11/136015811.db2.gz DMWIANVPMZKUJK-NSHDSACASA-N 1 2 221.300 2.510 20 0 BFADLO Cc1cc(N2CCC(C(F)(F)F)CC2)nc[nH+]1 ZINC000335307960 136027608 /nfs/dbraw/zinc/02/76/08/136027608.db2.gz WIYUGRAQZOTXCR-UHFFFAOYSA-N 1 2 245.248 2.564 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2c(C)cccc2C)n1 ZINC000348097203 136035513 /nfs/dbraw/zinc/03/55/13/136035513.db2.gz UDFLRCDNCLFRPU-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(N[C@H](C)C2CCOCC2)c(C)[nH+]1 ZINC000335330680 136053761 /nfs/dbraw/zinc/05/37/61/136053761.db2.gz FDRFIUNTRXTROF-LLVKDONJSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000335350876 136068690 /nfs/dbraw/zinc/06/86/90/136068690.db2.gz LLCLREHEESNDEF-RKDXNWHRSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)o1 ZINC000335350876 136068691 /nfs/dbraw/zinc/06/86/91/136068691.db2.gz LLCLREHEESNDEF-RKDXNWHRSA-N 1 2 248.248 2.756 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000335350870 136068899 /nfs/dbraw/zinc/06/88/99/136068899.db2.gz KWAOHNYJYZOXAW-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000335350870 136068900 /nfs/dbraw/zinc/06/89/00/136068900.db2.gz KWAOHNYJYZOXAW-NSHDSACASA-N 1 2 228.698 2.669 20 0 BFADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@H](C)C1 ZINC000335355504 136070722 /nfs/dbraw/zinc/07/07/22/136070722.db2.gz JFDVHSHPWVLULD-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@H](C)C1 ZINC000335355504 136070723 /nfs/dbraw/zinc/07/07/23/136070723.db2.gz JFDVHSHPWVLULD-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO Cc1cc(C)c(NC(=O)c2ccn(C)c2)c(C)[nH+]1 ZINC000335366816 136082165 /nfs/dbraw/zinc/08/21/65/136082165.db2.gz TUXCPTGKSXIHLD-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO CC(C)C1CC[NH+]([C@H](C)c2csnn2)CC1 ZINC000335584063 136101202 /nfs/dbraw/zinc/10/12/02/136101202.db2.gz IVMNKPJCYDBDPU-SNVBAGLBSA-N 1 2 239.388 2.967 20 0 BFADLO Clc1cccc2c1CN(Cc1[nH]cc[nH+]1)CC2 ZINC000335585040 136101588 /nfs/dbraw/zinc/10/15/88/136101588.db2.gz CIXGTHQQQYXUKD-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO CS[C@@H]1CC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000335563124 136106569 /nfs/dbraw/zinc/10/65/69/136106569.db2.gz WKKXMULEOTWOSB-GHMZBOCLSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1[nH]c(CNc2ccc(Cl)cn2)[nH+]c1C ZINC000628244103 397731980 /nfs/dbraw/zinc/73/19/80/397731980.db2.gz SXYGQZGGKAHMTP-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO Cc1c[nH]c(CN(C)c2cccc(C)c2C)[nH+]1 ZINC000628243229 397732242 /nfs/dbraw/zinc/73/22/42/397732242.db2.gz IYKNSMLTCSKYEX-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cscn1 ZINC000162418982 397779384 /nfs/dbraw/zinc/77/93/84/397779384.db2.gz CLKOBWLIQIJYLK-JQWIXIFHSA-N 1 2 248.351 2.527 20 0 BFADLO c1n[nH]c([C@H]([NH2+]CCC2CC2)C2CCCCC2)n1 ZINC000644537972 397837400 /nfs/dbraw/zinc/83/74/00/397837400.db2.gz JKUFVEIWXOEFKU-CYBMUJFWSA-N 1 2 248.374 2.816 20 0 BFADLO c1cn2c(n1)C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000559071370 397930891 /nfs/dbraw/zinc/93/08/91/397930891.db2.gz PXRYBWJWLRTTBP-CYBMUJFWSA-N 1 2 231.343 2.588 20 0 BFADLO c1cn2c(n1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000559071370 397930894 /nfs/dbraw/zinc/93/08/94/397930894.db2.gz PXRYBWJWLRTTBP-CYBMUJFWSA-N 1 2 231.343 2.588 20 0 BFADLO C[C@@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)[C@H](C)O1 ZINC000449231097 397952617 /nfs/dbraw/zinc/95/26/17/397952617.db2.gz CLGWFYRLHZXNTM-ZETOZRRWSA-N 1 2 246.354 2.938 20 0 BFADLO CO[C@@H](CC(C)C)C[N@@H+]1CCCC(F)(F)C1 ZINC000649696002 398044724 /nfs/dbraw/zinc/04/47/24/398044724.db2.gz QIUASGJAYGHDSR-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CO[C@@H](CC(C)C)C[N@H+]1CCCC(F)(F)C1 ZINC000649696002 398044726 /nfs/dbraw/zinc/04/47/26/398044726.db2.gz QIUASGJAYGHDSR-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)OC1CC([N@@H+]2CCCC(F)(F)C2)C1 ZINC000649695758 398044758 /nfs/dbraw/zinc/04/47/58/398044758.db2.gz HSWQUDFTPFGSAD-UHFFFAOYSA-N 1 2 233.302 2.674 20 0 BFADLO CC(C)OC1CC([N@H+]2CCCC(F)(F)C2)C1 ZINC000649695758 398044761 /nfs/dbraw/zinc/04/47/61/398044761.db2.gz HSWQUDFTPFGSAD-UHFFFAOYSA-N 1 2 233.302 2.674 20 0 BFADLO CCc1cc[nH+]cc1NCc1cccc(OC)n1 ZINC000650243239 398005599 /nfs/dbraw/zinc/00/55/99/398005599.db2.gz PYIUPXULCUEEKV-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO COCc1cc[nH+]c(NCc2scnc2C)c1 ZINC000650243652 398006125 /nfs/dbraw/zinc/00/61/25/398006125.db2.gz KAJCEYLBSMUETM-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(OC)nc1 ZINC000650243422 398006716 /nfs/dbraw/zinc/00/67/16/398006716.db2.gz YFJDRWPJAVAXCE-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO Cn1c[nH+]cc1COc1ccc(Cl)cc1F ZINC000303436604 398020653 /nfs/dbraw/zinc/02/06/53/398020653.db2.gz FBKRZXHLXBNFPW-UHFFFAOYSA-N 1 2 240.665 2.792 20 0 BFADLO CC(C)(C)c1noc(C[N@@H+]2CCC23CCCC3)n1 ZINC000649656006 398024137 /nfs/dbraw/zinc/02/41/37/398024137.db2.gz YQLLOEBGRYLZQB-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO CC(C)(C)c1noc(C[N@H+]2CCC23CCCC3)n1 ZINC000649656006 398024141 /nfs/dbraw/zinc/02/41/41/398024141.db2.gz YQLLOEBGRYLZQB-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO C(c1noc(C2CCC2)n1)[NH+]1CCCCCC1 ZINC000598595941 398032446 /nfs/dbraw/zinc/03/24/46/398032446.db2.gz UNZKONGSEXXASN-UHFFFAOYSA-N 1 2 235.331 2.713 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCCC(F)(F)C1 ZINC000649693470 398041446 /nfs/dbraw/zinc/04/14/46/398041446.db2.gz FPGAXHNTNBXTGL-UHFFFAOYSA-N 1 2 243.301 2.695 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3ccno3)CC2)c1 ZINC000271758772 397972785 /nfs/dbraw/zinc/97/27/85/397972785.db2.gz HJBDWJCYZYLBIU-UHFFFAOYSA-N 1 2 232.258 2.593 20 0 BFADLO c1ccc(NC[C@@H]2COC3(CCCCC3)O2)[nH+]c1 ZINC000271764768 397973513 /nfs/dbraw/zinc/97/35/13/397973513.db2.gz ZVJRLFNQQSFHIU-GFCCVEGCSA-N 1 2 248.326 2.569 20 0 BFADLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)o1 ZINC000271786458 397975355 /nfs/dbraw/zinc/97/53/55/397975355.db2.gz PYSOQXRHTLPEDW-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)(C)OCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649694000 398042266 /nfs/dbraw/zinc/04/22/66/398042266.db2.gz YJNMIJJUZLYSIC-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CC(C)(C)OCCC[N@H+]1CCCC(F)(F)C1 ZINC000649694000 398042268 /nfs/dbraw/zinc/04/22/68/398042268.db2.gz YJNMIJJUZLYSIC-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO FC1(F)CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000649695662 398043859 /nfs/dbraw/zinc/04/38/59/398043859.db2.gz DILOGJBWUVUIAA-LLVKDONJSA-N 1 2 233.302 2.534 20 0 BFADLO FC1(F)CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000649695662 398043863 /nfs/dbraw/zinc/04/38/63/398043863.db2.gz DILOGJBWUVUIAA-LLVKDONJSA-N 1 2 233.302 2.534 20 0 BFADLO CCn1c[nH+]cc1CN1CCCC[C@@H]1C(F)F ZINC000418139907 397989427 /nfs/dbraw/zinc/98/94/27/397989427.db2.gz KEHWVSYQUORTBO-LLVKDONJSA-N 1 2 243.301 2.523 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(Cl)=C/Cl ZINC000289316781 398086670 /nfs/dbraw/zinc/08/66/70/398086670.db2.gz DHJDCYHGAOMKAJ-YUGKURJKSA-N 1 2 234.126 2.501 20 0 BFADLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C(Cl)=C/Cl ZINC000289316781 398086672 /nfs/dbraw/zinc/08/66/72/398086672.db2.gz DHJDCYHGAOMKAJ-YUGKURJKSA-N 1 2 234.126 2.501 20 0 BFADLO CCCC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000649704261 398051879 /nfs/dbraw/zinc/05/18/79/398051879.db2.gz AGVMXBZFLTWEDP-UHFFFAOYSA-N 1 2 220.316 2.577 20 0 BFADLO COCc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000186426624 398053473 /nfs/dbraw/zinc/05/34/73/398053473.db2.gz SBUSMIDYXCQLTO-UHFFFAOYSA-N 1 2 246.285 2.979 20 0 BFADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H](C)C1(F)F ZINC000624444631 398092019 /nfs/dbraw/zinc/09/20/19/398092019.db2.gz IUVVEGOPIUEJJJ-AOOOYVTPSA-N 1 2 226.270 2.809 20 0 BFADLO CC(C)c1nnc2n1CC[N@H+](C1CCCC1)[C@H]2C ZINC000189545698 398058063 /nfs/dbraw/zinc/05/80/63/398058063.db2.gz SGSCBOCUTTVQAK-NSHDSACASA-N 1 2 248.374 2.721 20 0 BFADLO CC(C)c1nnc2n1CC[N@@H+](C1CCCC1)[C@H]2C ZINC000189545698 398058068 /nfs/dbraw/zinc/05/80/68/398058068.db2.gz SGSCBOCUTTVQAK-NSHDSACASA-N 1 2 248.374 2.721 20 0 BFADLO Cc1ccc(CCNc2cc[nH+]c(C(C)C)n2)o1 ZINC000521953482 398103314 /nfs/dbraw/zinc/10/33/14/398103314.db2.gz GOTGLZNTWWRXIL-UHFFFAOYSA-N 1 2 245.326 2.578 20 0 BFADLO C[C@H]1C[N@H+](CC(F)F)CCc2ccccc21 ZINC000649834209 398133941 /nfs/dbraw/zinc/13/39/41/398133941.db2.gz FWYNRDIFEUWIMR-JTQLQIEISA-N 1 2 225.282 2.913 20 0 BFADLO C[C@H]1C[N@@H+](CC(F)F)CCc2ccccc21 ZINC000649834209 398133943 /nfs/dbraw/zinc/13/39/43/398133943.db2.gz FWYNRDIFEUWIMR-JTQLQIEISA-N 1 2 225.282 2.913 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccco2)C(C)C)nn1C ZINC000336711563 398134553 /nfs/dbraw/zinc/13/45/53/398134553.db2.gz NTXKBXDWSWYTOC-UHFFFAOYSA-N 1 2 247.342 2.732 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccco2)C(C)C)nn1C ZINC000336711563 398134558 /nfs/dbraw/zinc/13/45/58/398134558.db2.gz NTXKBXDWSWYTOC-UHFFFAOYSA-N 1 2 247.342 2.732 20 0 BFADLO CC(C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301577096 167018291 /nfs/dbraw/zinc/01/82/91/167018291.db2.gz ZCHVVIHDQPYLGM-UHFFFAOYSA-N 1 2 207.321 2.842 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2ccoc2)n1 ZINC000087289951 322876638 /nfs/dbraw/zinc/87/66/38/322876638.db2.gz KEBKOTMYGDHSES-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO C[C@@H]([NH2+]Cc1nccs1)c1ccoc1 ZINC000087289985 322876951 /nfs/dbraw/zinc/87/69/51/322876951.db2.gz OZDXPKBERCZOIO-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO CC[C@H]([NH2+]Cc1ncc(C)o1)c1ccncc1 ZINC000680364721 487575253 /nfs/dbraw/zinc/57/52/53/487575253.db2.gz PHXDMCVSCRFWJJ-LBPRGKRZSA-N 1 2 231.299 2.619 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000685838641 487584119 /nfs/dbraw/zinc/58/41/19/487584119.db2.gz MTERMYWIFZAKRH-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO CCC(CC)N(C(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000530280302 487593829 /nfs/dbraw/zinc/59/38/29/487593829.db2.gz CAXUQCQCKHDMSV-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO CCC(CC)N(C(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000530280302 487593832 /nfs/dbraw/zinc/59/38/32/487593832.db2.gz CAXUQCQCKHDMSV-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO CC(C)O[C@H]1C[C@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000337558412 167282796 /nfs/dbraw/zinc/28/27/96/167282796.db2.gz SWDCJZOCVWMJEJ-UWVGGRQHSA-N 1 2 247.329 2.966 20 0 BFADLO CCC[C@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000680467516 487601210 /nfs/dbraw/zinc/60/12/10/487601210.db2.gz PJJWWOOTSUAJTB-ZDUSSCGKSA-N 1 2 231.299 2.701 20 0 BFADLO Cc1cc(NCC2(O)CCC(C)(C)CC2)nc[nH+]1 ZINC000087067091 487601927 /nfs/dbraw/zinc/60/19/27/487601927.db2.gz IFOPWWXNRXTZRI-UHFFFAOYSA-N 1 2 249.358 2.528 20 0 BFADLO CCCn1nccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398235306 487610585 /nfs/dbraw/zinc/61/05/85/487610585.db2.gz YPFAHOZYRMWIBR-LLVKDONJSA-N 1 2 243.301 2.571 20 0 BFADLO CCCc1nc(C[N@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662347412 409663964 /nfs/dbraw/zinc/66/39/64/409663964.db2.gz JYYOJKGUQVRKFG-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@@H+](C)C[C@@H]2CC2(C)C)no1 ZINC000662347412 409663973 /nfs/dbraw/zinc/66/39/73/409663973.db2.gz JYYOJKGUQVRKFG-JTQLQIEISA-N 1 2 237.347 2.500 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)[C@H]1CCCOC1 ZINC000651979947 410115964 /nfs/dbraw/zinc/11/59/64/410115964.db2.gz SCESYORIRFXORH-YPMHNXCESA-N 1 2 234.343 2.871 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)(C)C)c1[nH]cc[nH+]1 ZINC000655403018 410207483 /nfs/dbraw/zinc/20/74/83/410207483.db2.gz XFFBJSOIHKMNCT-OUAUKWLOSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)c1occc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000655403544 410207539 /nfs/dbraw/zinc/20/75/39/410207539.db2.gz ZFGDFNJGAMWARW-SECBINFHSA-N 1 2 247.298 2.617 20 0 BFADLO C[C@@H](CF)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000308845943 410776845 /nfs/dbraw/zinc/77/68/45/410776845.db2.gz MFRRMOVUJYGKSO-QMMMGPOBSA-N 1 2 211.284 2.544 20 0 BFADLO CCC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC000651092234 410800433 /nfs/dbraw/zinc/80/04/33/410800433.db2.gz YWYRHKDYVYYIKB-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO CC(C)C[NH2+]c1ccc(OC2COC2)cc1 ZINC000186506663 167016417 /nfs/dbraw/zinc/01/64/17/167016417.db2.gz PGDLNLWFNGVKIE-UHFFFAOYSA-N 1 2 221.300 2.532 20 0 BFADLO CC(C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977772 167016688 /nfs/dbraw/zinc/01/66/88/167016688.db2.gz YVJZQMGLUAAFAE-UHFFFAOYSA-N 1 2 215.300 2.940 20 0 BFADLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000093773350 167169560 /nfs/dbraw/zinc/16/95/60/167169560.db2.gz RWJAMSYCMGAAGO-JTQLQIEISA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000093773350 167169561 /nfs/dbraw/zinc/16/95/61/167169561.db2.gz RWJAMSYCMGAAGO-JTQLQIEISA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OCCCNc1cc[nH+]c2ccncc12 ZINC000269267533 167226122 /nfs/dbraw/zinc/22/61/22/167226122.db2.gz DUSFUWNZLOFKSU-UHFFFAOYSA-N 1 2 245.326 2.857 20 0 BFADLO CC(C)[C@@H](C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000302879542 167361956 /nfs/dbraw/zinc/36/19/56/167361956.db2.gz HAAWKTRXRSERET-LBPRGKRZSA-N 1 2 248.374 2.781 20 0 BFADLO CC(C)[C@@H](C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000302879542 167361960 /nfs/dbraw/zinc/36/19/60/167361960.db2.gz HAAWKTRXRSERET-LBPRGKRZSA-N 1 2 248.374 2.781 20 0 BFADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccncc1 ZINC000651351922 410943435 /nfs/dbraw/zinc/94/34/35/410943435.db2.gz JWMQQBJNJHSJJV-SNVBAGLBSA-N 1 2 214.259 2.778 20 0 BFADLO Oc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CCC2 ZINC000397820692 410935931 /nfs/dbraw/zinc/93/59/31/410935931.db2.gz DQXBUXCGFWDLNX-AWEZNQCLSA-N 1 2 244.294 2.547 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCCSC2)c1 ZINC000652068623 411104747 /nfs/dbraw/zinc/10/47/47/411104747.db2.gz JMTRNQGGGLQCNE-NSHDSACASA-N 1 2 238.356 2.536 20 0 BFADLO COCc1cc[nH+]c(NC2CCCCC2)c1 ZINC000652069111 411106986 /nfs/dbraw/zinc/10/69/86/411106986.db2.gz ZZKZNTYZJPLOAY-UHFFFAOYSA-N 1 2 220.316 2.973 20 0 BFADLO Cn1nc(C[N@@H+]2CCC[C@H](F)C2)c2ccccc21 ZINC000652078025 411108936 /nfs/dbraw/zinc/10/89/36/411108936.db2.gz ZZPZOSHLAGNDOD-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO Cn1nc(C[N@H+]2CCC[C@H](F)C2)c2ccccc21 ZINC000652078025 411108940 /nfs/dbraw/zinc/10/89/40/411108940.db2.gz ZZPZOSHLAGNDOD-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000652076884 411109448 /nfs/dbraw/zinc/10/94/48/411109448.db2.gz CXMUYPBQSKWGCT-SECBINFHSA-N 1 2 240.347 2.566 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000652076884 411109450 /nfs/dbraw/zinc/10/94/50/411109450.db2.gz CXMUYPBQSKWGCT-SECBINFHSA-N 1 2 240.347 2.566 20 0 BFADLO COc1ccc(N[C@@H]2CCCC23CC3)[nH+]c1 ZINC000657948814 411177688 /nfs/dbraw/zinc/17/76/88/411177688.db2.gz AOHICZMLNYGQIF-LLVKDONJSA-N 1 2 218.300 2.835 20 0 BFADLO COc1c(C)[nH+]cnc1NCCC(C)(C)C ZINC000656108128 411179611 /nfs/dbraw/zinc/17/96/11/411179611.db2.gz PLMJGWGIECWLOF-UHFFFAOYSA-N 1 2 223.320 2.642 20 0 BFADLO Cc1c[nH+]c(C)nc1NC[C@@H]1CC=CCC1 ZINC000656112483 411181942 /nfs/dbraw/zinc/18/19/42/411181942.db2.gz PJLJCAGDQQGOKH-GFCCVEGCSA-N 1 2 217.316 2.862 20 0 BFADLO COc1c(C)[nH+]cnc1N(C)C[C@H]1CC=CCC1 ZINC000656157548 411190381 /nfs/dbraw/zinc/19/03/81/411190381.db2.gz PKGXEXVVDHLEHQ-LBPRGKRZSA-N 1 2 247.342 2.586 20 0 BFADLO COc1c(C)[nH+]cnc1N1C[C@@H](C)CC(C)(C)C1 ZINC000656156811 411190505 /nfs/dbraw/zinc/19/05/05/411190505.db2.gz UHYJXNVJVGTHCO-JTQLQIEISA-N 1 2 249.358 2.666 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)o1 ZINC000658097470 411244835 /nfs/dbraw/zinc/24/48/35/411244835.db2.gz IAMVUTQVTNFZNI-DVVUODLYSA-N 1 2 246.314 2.536 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)c2ccoc2)c1 ZINC000652330415 411202676 /nfs/dbraw/zinc/20/26/76/411202676.db2.gz FOPJODPGWDXRBE-SNVBAGLBSA-N 1 2 232.283 2.994 20 0 BFADLO CC(C)(C)O[C@H]1C[C@H](Nc2cccc[nH+]2)C1 ZINC000656220999 411212675 /nfs/dbraw/zinc/21/26/75/411212675.db2.gz BIXKWZKRMYJIBI-XYPYZODXSA-N 1 2 220.316 2.840 20 0 BFADLO c1ccc(NC[C@H]2CCC3(CCCC3)O2)[nH+]c1 ZINC000656227011 411212783 /nfs/dbraw/zinc/21/27/83/411212783.db2.gz KWYJDJFYMLYVAJ-GFCCVEGCSA-N 1 2 232.327 2.985 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]cn1)[C@H]1CCCCO1 ZINC000656227369 411213162 /nfs/dbraw/zinc/21/31/62/411213162.db2.gz LGLXANBQRGQVCG-VXGBXAGGSA-N 1 2 235.331 2.545 20 0 BFADLO CC[C@H](Nc1cccc[nH+]1)[C@H]1CCCCO1 ZINC000656229471 411214207 /nfs/dbraw/zinc/21/42/07/411214207.db2.gz WSAHBPBNURFAGV-NWDGAFQWSA-N 1 2 220.316 2.841 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCCC23CC3)c1 ZINC000658046468 411217312 /nfs/dbraw/zinc/21/73/12/411217312.db2.gz ZRUJBUZQNYWGIZ-GFCCVEGCSA-N 1 2 232.327 2.973 20 0 BFADLO C[C@@H]1OCC[C@@H]1CSc1[nH+]cc2ccccn21 ZINC000631003897 411220426 /nfs/dbraw/zinc/22/04/26/411220426.db2.gz ARPIVMFOZFYUMZ-WDEREUQCSA-N 1 2 248.351 2.851 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ccnc32)o1 ZINC000655683147 411224093 /nfs/dbraw/zinc/22/40/93/411224093.db2.gz PERMSHAMAGURLM-NEPJUHHUSA-N 1 2 245.326 2.970 20 0 BFADLO CCC(C)(C)CC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000652411695 411234317 /nfs/dbraw/zinc/23/43/17/411234317.db2.gz FCIKBNCZPFVDTO-UHFFFAOYSA-N 1 2 237.347 2.587 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)C(C)(C)CO2 ZINC000656371698 411238625 /nfs/dbraw/zinc/23/86/25/411238625.db2.gz PSQLRNOOQCJDTH-UHFFFAOYSA-N 1 2 228.295 2.757 20 0 BFADLO Cc1cc(-c2[nH+]ccn2C)cc2c1C(=O)CC2 ZINC000656371782 411238645 /nfs/dbraw/zinc/23/86/45/411238645.db2.gz UIZMNSLFRCRTLT-UHFFFAOYSA-N 1 2 226.279 2.524 20 0 BFADLO Cc1c[nH+]cc(NCC2CCSCC2)c1 ZINC000653464258 411281915 /nfs/dbraw/zinc/28/19/15/411281915.db2.gz RLVUKUXXBMBMTR-UHFFFAOYSA-N 1 2 222.357 2.945 20 0 BFADLO COc1ccc2[nH+]c(N3CC[C@H](F)C3)ccc2c1 ZINC000649418851 411284599 /nfs/dbraw/zinc/28/45/99/411284599.db2.gz BYHLFYWLNMJERF-NSHDSACASA-N 1 2 246.285 2.792 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cnccc2C)co1 ZINC000660241827 411303942 /nfs/dbraw/zinc/30/39/42/411303942.db2.gz ICOSNLQKUHPWHC-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CCCc1ccc(C[NH2+]CC(F)F)cc1 ZINC000656611816 411310162 /nfs/dbraw/zinc/31/01/62/411310162.db2.gz QWHLDLCPEDUMHW-UHFFFAOYSA-N 1 2 213.271 2.994 20 0 BFADLO CCOC1(CNc2cc(CC)[nH+]cn2)CCCC1 ZINC000311117404 411316449 /nfs/dbraw/zinc/31/64/49/411316449.db2.gz YDJJXDYUKNVDIQ-UHFFFAOYSA-N 1 2 249.358 2.800 20 0 BFADLO Cc1cnc(NCc2[nH+]ccn2C(C)C)s1 ZINC000656766680 411350625 /nfs/dbraw/zinc/35/06/25/411350625.db2.gz BXGZUXMZQXXLFT-UHFFFAOYSA-N 1 2 236.344 2.841 20 0 BFADLO c1ccc(CNc2c[nH+]cc3c2CCCC3)nc1 ZINC000656777048 411356415 /nfs/dbraw/zinc/35/64/15/411356415.db2.gz YUNKUPGWBLMRRY-UHFFFAOYSA-N 1 2 239.322 2.968 20 0 BFADLO CC1(CNc2cc(C(F)(F)F)cc[nH+]2)COC1 ZINC000267355088 168046937 /nfs/dbraw/zinc/04/69/37/168046937.db2.gz HETNDYKMQVYPMA-UHFFFAOYSA-N 1 2 246.232 2.549 20 0 BFADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)cn1 ZINC000656769947 411363266 /nfs/dbraw/zinc/36/32/66/411363266.db2.gz KRHSRCSBOQOINJ-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO CC1(C)[C@H](Nc2ccc3ccccc3[nH+]2)C[C@@H]1O ZINC000129000731 168002874 /nfs/dbraw/zinc/00/28/74/168002874.db2.gz OUFVWQCIRWDGKO-OLZOCXBDSA-N 1 2 242.322 2.806 20 0 BFADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cn[nH]c1 ZINC000658339879 411346139 /nfs/dbraw/zinc/34/61/39/411346139.db2.gz WOEPFTWWSXPARM-QMMMGPOBSA-N 1 2 231.290 2.742 20 0 BFADLO CC1=CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000280790289 168100604 /nfs/dbraw/zinc/10/06/04/168100604.db2.gz JMAWKRNTVKWJBM-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000280790289 168100605 /nfs/dbraw/zinc/10/06/05/168100605.db2.gz JMAWKRNTVKWJBM-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CC=C(C)CC1 ZINC000271120129 168107681 /nfs/dbraw/zinc/10/76/81/168107681.db2.gz JHDXMOYSFKEZSZ-UHFFFAOYSA-N 1 2 231.299 2.574 20 0 BFADLO Cc1ccc(NC(=O)N2CC=C(C)CC2)c(C)[nH+]1 ZINC000270109908 168107771 /nfs/dbraw/zinc/10/77/71/168107771.db2.gz FVHRCQDIIKJJAU-UHFFFAOYSA-N 1 2 245.326 2.882 20 0 BFADLO CCC(C)(C)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000190889002 168280999 /nfs/dbraw/zinc/28/09/99/168280999.db2.gz CIDMBJQMJXPOOK-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO CCC(C)(C)NC(=O)Nc1cc[nH+]cc1C ZINC000121708454 168293462 /nfs/dbraw/zinc/29/34/62/168293462.db2.gz BLQILWLZFHAOAL-UHFFFAOYSA-N 1 2 221.304 2.700 20 0 BFADLO CCC(C)(C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000336456072 168294194 /nfs/dbraw/zinc/29/41/94/168294194.db2.gz VQHRTLZEBQQIRX-UHFFFAOYSA-N 1 2 246.314 2.644 20 0 BFADLO Cc1[nH+]cccc1NCc1cc2n(n1)CCCC2 ZINC000653497198 411396941 /nfs/dbraw/zinc/39/69/41/411396941.db2.gz VUQRCCYWGITHRG-UHFFFAOYSA-N 1 2 242.326 2.535 20 0 BFADLO C[C@@H]1CN(c2cc3ccccc3c[nH+]2)CCCO1 ZINC000631096116 411405217 /nfs/dbraw/zinc/40/52/17/411405217.db2.gz NWLNYBUUVDRKJY-GFCCVEGCSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1ncc(C[NH2+]Cc2cscc2Cl)o1 ZINC000657102956 411406720 /nfs/dbraw/zinc/40/67/20/411406720.db2.gz ZXTXUDYUKSGONW-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO Cc1occc1C[N@@H+]1CCc2ncsc2C1 ZINC000414441239 411418148 /nfs/dbraw/zinc/41/81/48/411418148.db2.gz VXGHEXWOPFSYLZ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1occc1C[N@H+]1CCc2ncsc2C1 ZINC000414441239 411418150 /nfs/dbraw/zinc/41/81/50/411418150.db2.gz VXGHEXWOPFSYLZ-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1c[nH]c(CNc2ccc(C)cc2C)[nH+]1 ZINC000657318090 411462584 /nfs/dbraw/zinc/46/25/84/411462584.db2.gz KUGUDGBOMJATGD-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CC(C)=CCCSc1nc(N)cc(C)[nH+]1 ZINC000657237409 411423607 /nfs/dbraw/zinc/42/36/07/411423607.db2.gz QVVLNTLCAVXNOH-UHFFFAOYSA-N 1 2 223.345 2.816 20 0 BFADLO CC[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1F ZINC000122550351 411432532 /nfs/dbraw/zinc/43/25/32/411432532.db2.gz XOMSSQKRZWAXCF-ZDUSSCGKSA-N 1 2 233.290 2.790 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccco2)c(C)o1 ZINC000659817365 411463319 /nfs/dbraw/zinc/46/33/19/411463319.db2.gz YSXREWSQHHDIRF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccco2)c(C)o1 ZINC000659817365 411463320 /nfs/dbraw/zinc/46/33/20/411463320.db2.gz YSXREWSQHHDIRF-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Fc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655738344 411445039 /nfs/dbraw/zinc/44/50/39/411445039.db2.gz KYFQLPPZZFWINM-LBPRGKRZSA-N 1 2 231.274 2.969 20 0 BFADLO Cc1ccc(N[C@H]2CCCn3cc[nH+]c32)cn1 ZINC000655746200 411447839 /nfs/dbraw/zinc/44/78/39/411447839.db2.gz PNZYEMLPBWQWNN-LBPRGKRZSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cn1 ZINC000655746199 411448240 /nfs/dbraw/zinc/44/82/40/411448240.db2.gz PNZYEMLPBWQWNN-GFCCVEGCSA-N 1 2 228.299 2.534 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2coc(C)n2)on1 ZINC000659846085 411474173 /nfs/dbraw/zinc/47/41/73/411474173.db2.gz MQCWQGGWYSIFJX-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2coc(C)n2)on1 ZINC000659846085 411474176 /nfs/dbraw/zinc/47/41/76/411474176.db2.gz MQCWQGGWYSIFJX-GFCCVEGCSA-N 1 2 247.298 2.617 20 0 BFADLO CC[C@H]([NH2+]Cc1nc(C)c[nH]1)c1c(C)noc1C ZINC000657418372 411501461 /nfs/dbraw/zinc/50/14/61/411501461.db2.gz DNTRONUMOYXJFC-NSHDSACASA-N 1 2 248.330 2.564 20 0 BFADLO Cc1[nH]c(CNc2cnn(C(C)(C)C)c2)[nH+]c1C ZINC000657418736 411502224 /nfs/dbraw/zinc/50/22/24/411502224.db2.gz RYAJZSJAVDNUJM-UHFFFAOYSA-N 1 2 247.346 2.590 20 0 BFADLO COCc1csc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000657459561 411517211 /nfs/dbraw/zinc/51/72/11/411517211.db2.gz XUAWVGRLMNGRKS-UHFFFAOYSA-N 1 2 247.310 2.782 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nccn1C(C)C ZINC000657472798 411522537 /nfs/dbraw/zinc/52/25/37/411522537.db2.gz ZUCDGVLVZDTBIX-UHFFFAOYSA-N 1 2 233.315 2.655 20 0 BFADLO CC[C@@H](NCc1[nH+]ccn1C(C)C)C(F)F ZINC000657477341 411526086 /nfs/dbraw/zinc/52/60/86/411526086.db2.gz SMWOODXKDGIPNK-SECBINFHSA-N 1 2 231.290 2.597 20 0 BFADLO CCN1C[C@H](C)[N@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000353814367 170033079 /nfs/dbraw/zinc/03/30/79/170033079.db2.gz ZTTIHSDJQOAICV-RYUDHWBXSA-N 1 2 236.359 2.503 20 0 BFADLO CCN1C[C@H](C)[N@@H+](Cc2ccc(C)o2)C[C@@H]1C ZINC000353814367 170033080 /nfs/dbraw/zinc/03/30/80/170033080.db2.gz ZTTIHSDJQOAICV-RYUDHWBXSA-N 1 2 236.359 2.503 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2c(C)noc2C)c(C)o1 ZINC000660196137 411553183 /nfs/dbraw/zinc/55/31/83/411553183.db2.gz JWSHQYJXDHHFNS-SSDOTTSWSA-N 1 2 249.314 2.747 20 0 BFADLO c1[nH+]cc(NCC2CC2)c2c1CCCC2 ZINC000657534101 411545310 /nfs/dbraw/zinc/54/53/10/411545310.db2.gz RNHNVPOJOQHGGM-UHFFFAOYSA-N 1 2 202.301 2.782 20 0 BFADLO CCNc1c(C(=O)OCC)c[nH+]c2ccccc21 ZINC000050843093 170170908 /nfs/dbraw/zinc/17/09/08/170170908.db2.gz IBQUGZOZZBOABR-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000037394465 170226099 /nfs/dbraw/zinc/22/60/99/170226099.db2.gz LFQUTYHEZQPBFM-AWEZNQCLSA-N 1 2 249.354 2.927 20 0 BFADLO CCOC(=O)C[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000037394466 170227512 /nfs/dbraw/zinc/22/75/12/170227512.db2.gz LFQUTYHEZQPBFM-CQSZACIVSA-N 1 2 249.354 2.927 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1C ZINC000353589688 170247661 /nfs/dbraw/zinc/24/76/61/170247661.db2.gz SFHZAAXBCTYRTA-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC000353589688 170247662 /nfs/dbraw/zinc/24/76/62/170247662.db2.gz SFHZAAXBCTYRTA-CYBMUJFWSA-N 1 2 249.354 2.687 20 0 BFADLO C[C@@H]([NH2+]Cc1cncc(F)c1)c1cscn1 ZINC000657600244 411558660 /nfs/dbraw/zinc/55/86/60/411558660.db2.gz LVUSDKMMPUXVBZ-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000115603039 170268301 /nfs/dbraw/zinc/26/83/01/170268301.db2.gz PWFFKSAFPCFVAS-STQMWFEESA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000115603045 170268462 /nfs/dbraw/zinc/26/84/62/170268462.db2.gz PWFFKSAFPCFVAS-OLZOCXBDSA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361046454 170271259 /nfs/dbraw/zinc/27/12/59/170271259.db2.gz PIXKDSJLBDKECV-RISCZKNCSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361046454 170271260 /nfs/dbraw/zinc/27/12/60/170271260.db2.gz PIXKDSJLBDKECV-RISCZKNCSA-N 1 2 247.338 2.905 20 0 BFADLO CCOCCCCNc1cc[nH+]c2ccncc12 ZINC000267974895 170370655 /nfs/dbraw/zinc/37/06/55/170370655.db2.gz NSNPLQZWIYTGBT-UHFFFAOYSA-N 1 2 245.326 2.858 20 0 BFADLO CCOCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337408415 170373428 /nfs/dbraw/zinc/37/34/28/170373428.db2.gz NUTSMSIIWIYPAX-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCOCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337408415 170373429 /nfs/dbraw/zinc/37/34/29/170373429.db2.gz NUTSMSIIWIYPAX-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCOCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272907060 170383958 /nfs/dbraw/zinc/38/39/58/170383958.db2.gz QSCJNPCQEOWIFS-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO CCOCCCSCc1c[nH+]ccc1OC ZINC000341946486 170384753 /nfs/dbraw/zinc/38/47/53/170384753.db2.gz IXEQJAIWLTYTHP-UHFFFAOYSA-N 1 2 241.356 2.750 20 0 BFADLO CC1(C)CCCC[C@@H]1C[N@H+](CCO)CC(F)F ZINC000660451944 411586489 /nfs/dbraw/zinc/58/64/89/411586489.db2.gz MIWPCHRUCJSENI-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO CC1(C)CCCC[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000660451944 411586490 /nfs/dbraw/zinc/58/64/90/411586490.db2.gz MIWPCHRUCJSENI-LLVKDONJSA-N 1 2 249.345 2.762 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cnccc2C)c(C)o1 ZINC000660450466 411586790 /nfs/dbraw/zinc/58/67/90/411586790.db2.gz HGXZHUVIXDWDSR-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cnccc2C)c(C)o1 ZINC000660450466 411586791 /nfs/dbraw/zinc/58/67/91/411586791.db2.gz HGXZHUVIXDWDSR-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO COC[C@@H](C)[NH2+]CC(F)(F)c1ccccc1C ZINC000657770080 411593616 /nfs/dbraw/zinc/59/36/16/411593616.db2.gz NXRFAUIEEXCVFC-LLVKDONJSA-N 1 2 243.297 2.711 20 0 BFADLO C=Cn1cc(C[NH2+]CC(F)(F)C(C)(C)C)cn1 ZINC000657794132 411599928 /nfs/dbraw/zinc/59/99/28/411599928.db2.gz UDXYHMPFQLEZMJ-UHFFFAOYSA-N 1 2 243.301 2.755 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000660613682 411607162 /nfs/dbraw/zinc/60/71/62/411607162.db2.gz GRIHUCRKKPDUNX-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000660613682 411607164 /nfs/dbraw/zinc/60/71/64/411607164.db2.gz GRIHUCRKKPDUNX-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1nccs1 ZINC000657874922 411615005 /nfs/dbraw/zinc/61/50/05/411615005.db2.gz CRSKNVQEYFEILQ-NXEZZACHSA-N 1 2 248.355 2.525 20 0 BFADLO CCCC[N@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762329 411622370 /nfs/dbraw/zinc/62/23/70/411622370.db2.gz VFRFSJBJTGTXOS-ZDUSSCGKSA-N 1 2 244.342 2.626 20 0 BFADLO CCCC[N@@H+](C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660762329 411622371 /nfs/dbraw/zinc/62/23/71/411622371.db2.gz VFRFSJBJTGTXOS-ZDUSSCGKSA-N 1 2 244.342 2.626 20 0 BFADLO CSc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000661094695 411704828 /nfs/dbraw/zinc/70/48/28/411704828.db2.gz XOVSHSRSQXSYTO-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000661094695 411704832 /nfs/dbraw/zinc/70/48/32/411704832.db2.gz XOVSHSRSQXSYTO-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000661094695 411704835 /nfs/dbraw/zinc/70/48/35/411704835.db2.gz XOVSHSRSQXSYTO-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO CSc1cccc(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000661094695 411704839 /nfs/dbraw/zinc/70/48/39/411704839.db2.gz XOVSHSRSQXSYTO-UHFFFAOYSA-N 1 2 247.367 2.764 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H]2C[C@H]21 ZINC000663906136 411770245 /nfs/dbraw/zinc/77/02/45/411770245.db2.gz SWKPQTKDVNBLQE-IINYFYTJSA-N 1 2 239.322 2.806 20 0 BFADLO O[C@H]1CC[N@@H+]([C@H]2C=CCCCCC2)CC1(F)F ZINC000661407590 411771070 /nfs/dbraw/zinc/77/10/70/411771070.db2.gz NHZIHLBXXJBNJZ-RYUDHWBXSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@H]1CC[N@H+]([C@H]2C=CCCCCC2)CC1(F)F ZINC000661407590 411771071 /nfs/dbraw/zinc/77/10/71/411771071.db2.gz NHZIHLBXXJBNJZ-RYUDHWBXSA-N 1 2 245.313 2.577 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cscn1 ZINC000661416628 411772270 /nfs/dbraw/zinc/77/22/70/411772270.db2.gz YPVMWTRHQPGNNU-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO CCSCC[C@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000173918010 170642965 /nfs/dbraw/zinc/64/29/65/170642965.db2.gz PLMACUHUKGJCNL-JTQLQIEISA-N 1 2 239.388 2.753 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000663947797 411787521 /nfs/dbraw/zinc/78/75/21/411787521.db2.gz SCCRRZVRRJYORE-UWVGGRQHSA-N 1 2 231.343 2.508 20 0 BFADLO C[C@@H]1CCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663673123 411719902 /nfs/dbraw/zinc/71/99/02/411719902.db2.gz FKERLNVFVRODDO-SNVBAGLBSA-N 1 2 227.311 2.806 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H]2C=CCCCCC2)o1 ZINC000661529441 411795537 /nfs/dbraw/zinc/79/55/37/411795537.db2.gz ZDBDLJZWAFBKHU-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H]2C=CCCCCC2)o1 ZINC000661529441 411795542 /nfs/dbraw/zinc/79/55/42/411795542.db2.gz ZDBDLJZWAFBKHU-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1nnc(C[N@H+](C)C/C=C/c2ccccc2)o1 ZINC000661531587 411797608 /nfs/dbraw/zinc/79/76/08/411797608.db2.gz KOEMPNNSZZZQAH-RMKNXTFCSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1nnc(C[N@@H+](C)C/C=C/c2ccccc2)o1 ZINC000661531587 411797612 /nfs/dbraw/zinc/79/76/12/411797612.db2.gz KOEMPNNSZZZQAH-RMKNXTFCSA-N 1 2 243.310 2.523 20 0 BFADLO CC[C@@H](C)CC(=O)OCc1c[nH+]ccc1OC ZINC000286952559 170689218 /nfs/dbraw/zinc/68/92/18/170689218.db2.gz NVVBBHYJVSYQLQ-SNVBAGLBSA-N 1 2 237.299 2.570 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000664082828 411845555 /nfs/dbraw/zinc/84/55/55/411845555.db2.gz KCKKKPRPDUAPTA-JQWIXIFHSA-N 1 2 242.326 2.645 20 0 BFADLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(C)nn1 ZINC000664084053 411847025 /nfs/dbraw/zinc/84/70/25/411847025.db2.gz LDZUTJCOECOJRN-UHFFFAOYSA-N 1 2 244.342 2.716 20 0 BFADLO Cc1ccc2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000664226180 411889148 /nfs/dbraw/zinc/88/91/48/411889148.db2.gz CLNDPLJEFHRJMW-UHFFFAOYSA-N 1 2 224.307 2.953 20 0 BFADLO CC(C)c1cc(NC/C=C/CO)nc(C(C)C)[nH+]1 ZINC000664234176 411892265 /nfs/dbraw/zinc/89/22/65/411892265.db2.gz BMUMNYNVVAORFO-AATRIKPKSA-N 1 2 249.358 2.684 20 0 BFADLO Cc1nc(N2CCC(C3CCC3)CC2)cc[nH+]1 ZINC000664249676 411898563 /nfs/dbraw/zinc/89/85/63/411898563.db2.gz HKLJGRBCHRQVPW-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@H](CC)CC[C@H]2C)no1 ZINC000661861825 411909201 /nfs/dbraw/zinc/90/92/01/411909201.db2.gz XPFJUGSBYWKTCG-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@H+]2C[C@H](CC)CC[C@H]2C)no1 ZINC000661861825 411909206 /nfs/dbraw/zinc/90/92/06/411909206.db2.gz XPFJUGSBYWKTCG-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@@H](C)[C@H](O)CNc1[nH+]ccc(C)c1Cl ZINC000336733415 170799513 /nfs/dbraw/zinc/79/95/13/170799513.db2.gz KANWRNGOYCFVJE-PSASIEDQSA-N 1 2 242.750 2.862 20 0 BFADLO Clc1cnc(C[N@@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661973314 411929397 /nfs/dbraw/zinc/92/93/97/411929397.db2.gz SGDOOGQZCSHPPB-YUMQZZPRSA-N 1 2 228.748 2.638 20 0 BFADLO Clc1cnc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661973314 411929400 /nfs/dbraw/zinc/92/94/00/411929400.db2.gz SGDOOGQZCSHPPB-YUMQZZPRSA-N 1 2 228.748 2.638 20 0 BFADLO CC(C)(F)CCNc1nc(N)c2ccccc2[nH+]1 ZINC000664370981 411933170 /nfs/dbraw/zinc/93/31/70/411933170.db2.gz GFCHWYSFDNXZLX-UHFFFAOYSA-N 1 2 248.305 2.762 20 0 BFADLO c1cc(CCNc2cc[nH+]c(C3CC3)n2)co1 ZINC000664382046 411935447 /nfs/dbraw/zinc/93/54/47/411935447.db2.gz VCBDUVKNCUHBCY-UHFFFAOYSA-N 1 2 229.283 2.602 20 0 BFADLO Cc1nc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000664386250 411936999 /nfs/dbraw/zinc/93/69/99/411936999.db2.gz MOKCFGUKUPLJCJ-WOPDTQHZSA-N 1 2 217.316 2.633 20 0 BFADLO C[C@@]1(CCNc2cccc[nH+]2)CC1(F)F ZINC000664394454 411941152 /nfs/dbraw/zinc/94/11/52/411941152.db2.gz AOFRWAMIWSIBIW-SNVBAGLBSA-N 1 2 212.243 2.929 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N(c2cc(C)[nH+]cn2)C1 ZINC000664472918 411969515 /nfs/dbraw/zinc/96/95/15/411969515.db2.gz UNUUJELBZAFROK-VXGBXAGGSA-N 1 2 219.332 2.800 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CC[C@H]2C[C@H]2C1 ZINC000664525849 411977703 /nfs/dbraw/zinc/97/77/03/411977703.db2.gz SHRUSRSAXBJHDH-QWRGUYRKSA-N 1 2 239.322 2.663 20 0 BFADLO Cn1c2cc(F)ccc2[nH+]c1N1CC2CC1(C)C2 ZINC000664694563 412011460 /nfs/dbraw/zinc/01/14/60/412011460.db2.gz GRTVQAKNGBDNAQ-UHFFFAOYSA-N 1 2 245.301 2.701 20 0 BFADLO Cc1cc(NCC[C@]2(C)CC2(F)F)nc[nH+]1 ZINC000664400172 411944136 /nfs/dbraw/zinc/94/41/36/411944136.db2.gz VOQPZIZCSLINTI-SNVBAGLBSA-N 1 2 227.258 2.632 20 0 BFADLO COc1ccc2c(c1)CCN(c1cccc[nH+]1)C2 ZINC000664430469 411953977 /nfs/dbraw/zinc/95/39/77/411953977.db2.gz UUIVLQPYGUFOFS-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO Cc1cc(N[C@@H]2CCc3ccc(O)cc32)nc[nH+]1 ZINC000664451271 411961182 /nfs/dbraw/zinc/96/11/82/411961182.db2.gz KELDDACSCQUKKA-CYBMUJFWSA-N 1 2 241.294 2.590 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662232509 412031528 /nfs/dbraw/zinc/03/15/28/412031528.db2.gz YNCWHXYYEJJDTB-GHMZBOCLSA-N 1 2 249.276 2.748 20 0 BFADLO FC(F)(F)C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662232509 412031531 /nfs/dbraw/zinc/03/15/31/412031531.db2.gz YNCWHXYYEJJDTB-GHMZBOCLSA-N 1 2 249.276 2.748 20 0 BFADLO c1n[nH]c2c1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000664861831 412034100 /nfs/dbraw/zinc/03/41/00/412034100.db2.gz ZFPUPPYKGHGAOB-FRRDWIJNSA-N 1 2 245.370 2.594 20 0 BFADLO c1n[nH]c2c1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)CCC2 ZINC000664861831 412034104 /nfs/dbraw/zinc/03/41/04/412034104.db2.gz ZFPUPPYKGHGAOB-FRRDWIJNSA-N 1 2 245.370 2.594 20 0 BFADLO Cc1cccc(C[N@@H+]2CCCc3[nH]ncc3C2)c1 ZINC000664864320 412034208 /nfs/dbraw/zinc/03/42/08/412034208.db2.gz LRSIWVGXXCKNQJ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1cccc(C[N@H+]2CCCc3[nH]ncc3C2)c1 ZINC000664864320 412034213 /nfs/dbraw/zinc/03/42/13/412034213.db2.gz LRSIWVGXXCKNQJ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1ccccc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664864132 412034480 /nfs/dbraw/zinc/03/44/80/412034480.db2.gz FEPPIJPMCFRQBK-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1ccccc1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664864132 412034485 /nfs/dbraw/zinc/03/44/85/412034485.db2.gz FEPPIJPMCFRQBK-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO CC[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302093774 171015943 /nfs/dbraw/zinc/01/59/43/171015943.db2.gz NCPKLTYKZULMGP-GFCCVEGCSA-N 1 2 245.370 2.900 20 0 BFADLO CC[C@@H]1CCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334690306 171018863 /nfs/dbraw/zinc/01/88/63/171018863.db2.gz RZGZXBHPXHZDMC-LLVKDONJSA-N 1 2 233.315 2.715 20 0 BFADLO CC[C@@H]1CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000292393980 171025422 /nfs/dbraw/zinc/02/54/22/171025422.db2.gz KREJVIYOUNPQMM-GFCCVEGCSA-N 1 2 234.343 2.691 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000115572822 171105922 /nfs/dbraw/zinc/10/59/22/171105922.db2.gz QMSAVTXABYOEQX-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000115572822 171105923 /nfs/dbraw/zinc/10/59/23/171105923.db2.gz QMSAVTXABYOEQX-CYBMUJFWSA-N 1 2 239.746 2.951 20 0 BFADLO CC[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]cc2C)CCO1 ZINC000180303064 171115362 /nfs/dbraw/zinc/11/53/62/171115362.db2.gz GSXHFQHKRQSHCB-NWDGAFQWSA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@@H]1C[C@H](C(=O)Nc2cc[nH+]c(C)c2)CCO1 ZINC000181317891 171125419 /nfs/dbraw/zinc/12/54/19/171125419.db2.gz DBXPNKZCIKHMEV-DGCLKSJQSA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@@H]1C[C@H](C[NH2+][C@H](C)C(F)(F)F)CCO1 ZINC000309717431 171130540 /nfs/dbraw/zinc/13/05/40/171130540.db2.gz ULUXLBSAXIWJPF-OPRDCNLKSA-N 1 2 239.281 2.732 20 0 BFADLO Clc1sccc1C[NH+]1CC2(CC2)C1 ZINC000335382738 487621749 /nfs/dbraw/zinc/62/17/49/487621749.db2.gz FMUJABNNQSWAOB-UHFFFAOYSA-N 1 2 213.733 2.997 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c[nH]cn1 ZINC000091897683 171162208 /nfs/dbraw/zinc/16/22/08/171162208.db2.gz LDSHLCZGMQBJHU-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000091897683 171162211 /nfs/dbraw/zinc/16/22/11/171162211.db2.gz LDSHLCZGMQBJHU-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cnc[nH]1 ZINC000091897683 171162213 /nfs/dbraw/zinc/16/22/13/171162213.db2.gz LDSHLCZGMQBJHU-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000091897683 171162216 /nfs/dbraw/zinc/16/22/16/171162216.db2.gz LDSHLCZGMQBJHU-GFCCVEGCSA-N 1 2 247.367 2.981 20 0 BFADLO CC[C@@](C)([NH2+]Cc1ccccn1)c1nccs1 ZINC000152661630 171175462 /nfs/dbraw/zinc/17/54/62/171175462.db2.gz FYIVOBNPWHYZOD-CYBMUJFWSA-N 1 2 247.367 2.953 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000336702758 171202165 /nfs/dbraw/zinc/20/21/65/171202165.db2.gz MLLXGAQHHUTPTN-ZDUSSCGKSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000336702758 171202167 /nfs/dbraw/zinc/20/21/67/171202167.db2.gz MLLXGAQHHUTPTN-ZDUSSCGKSA-N 1 2 235.331 2.569 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2noc(C(C)C)n2)C1 ZINC000336712964 171202612 /nfs/dbraw/zinc/20/26/12/171202612.db2.gz SCHHCCNITKOCMM-ZDUSSCGKSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cc2noc(C(C)C)n2)C1 ZINC000336712964 171202613 /nfs/dbraw/zinc/20/26/13/171202613.db2.gz SCHHCCNITKOCMM-ZDUSSCGKSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120126795 171248094 /nfs/dbraw/zinc/24/80/94/171248094.db2.gz BZVXARUYWHQIIT-WDEREUQCSA-N 1 2 235.331 2.509 20 0 BFADLO CC[C@H](C)CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000190789612 171258712 /nfs/dbraw/zinc/25/87/12/171258712.db2.gz QUPSBIFPFSBUIV-RYUDHWBXSA-N 1 2 249.358 2.900 20 0 BFADLO CC[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000276710639 171262799 /nfs/dbraw/zinc/26/27/99/171262799.db2.gz CYZOUCJWNLWDTJ-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO CC[C@H](C)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000352943342 171265770 /nfs/dbraw/zinc/26/57/70/171265770.db2.gz CBZOGODNSGMWIU-JTQLQIEISA-N 1 2 220.316 2.577 20 0 BFADLO CC[C@H](C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000357412591 171283422 /nfs/dbraw/zinc/28/34/22/171283422.db2.gz BAYADKROMIKIIG-LBPRGKRZSA-N 1 2 233.359 2.562 20 0 BFADLO CC[C@H](C)CSc1[nH+]cnc2c1cnn2C ZINC000154539749 171293256 /nfs/dbraw/zinc/29/32/56/171293256.db2.gz OJGDQBWFEZVLCF-QMMMGPOBSA-N 1 2 236.344 2.502 20 0 BFADLO CC(C)c1nc(C[N@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662348183 412118485 /nfs/dbraw/zinc/11/84/85/412118485.db2.gz RIYJNAJEJLADCD-SNVBAGLBSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)C[C@H]2CC2(C)C)no1 ZINC000662348183 412118487 /nfs/dbraw/zinc/11/84/87/412118487.db2.gz RIYJNAJEJLADCD-SNVBAGLBSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1cc(-c2[nH+]ccn2C)ccc1N ZINC000665180520 412121262 /nfs/dbraw/zinc/12/12/62/412121262.db2.gz FMWYEQPHVQFMDM-UHFFFAOYSA-N 1 2 215.300 2.793 20 0 BFADLO CC(C)(C)Cc1csc(Cn2cc[nH+]c2)n1 ZINC000663220925 412394391 /nfs/dbraw/zinc/39/43/91/412394391.db2.gz WOBOBNBFDDOZBR-UHFFFAOYSA-N 1 2 235.356 2.977 20 0 BFADLO CCc1nc([C@H](C)[NH2+]Cc2ccno2)cs1 ZINC000273270172 172006009 /nfs/dbraw/zinc/00/60/09/172006009.db2.gz GKLXCHVKNWCQSU-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1[nH+]c2ccccc2n1[C@@H](C)[C@@H](C)O ZINC000062807831 172013823 /nfs/dbraw/zinc/01/38/23/172013823.db2.gz AJSOHYWUTYJZHE-VHSXEESVSA-N 1 2 218.300 2.541 20 0 BFADLO CCc1ncc(C[NH2+][C@H](C)c2ccon2)s1 ZINC000336673414 172021161 /nfs/dbraw/zinc/02/11/61/172021161.db2.gz ALRVTVVODAKOTQ-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1noc(C)c1C[NH2+][C@H](C)c1cc(C)on1 ZINC000282446285 172081040 /nfs/dbraw/zinc/08/10/40/172081040.db2.gz FCCMXDPTUQUXLQ-SECBINFHSA-N 1 2 249.314 2.693 20 0 BFADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)n1 ZINC000336268870 172089024 /nfs/dbraw/zinc/08/90/24/172089024.db2.gz SPMWWNNHCOXUOW-SKDRFNHKSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@](C)(F)C2)n1 ZINC000336268870 172089026 /nfs/dbraw/zinc/08/90/26/172089026.db2.gz SPMWWNNHCOXUOW-SKDRFNHKSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@@H](C)[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336268867 172089321 /nfs/dbraw/zinc/08/93/21/172089321.db2.gz SPMWWNNHCOXUOW-BXKDBHETSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@@H](C)[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336268867 172089323 /nfs/dbraw/zinc/08/93/23/172089323.db2.gz SPMWWNNHCOXUOW-BXKDBHETSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cncc(C)c1 ZINC000293554602 172094759 /nfs/dbraw/zinc/09/47/59/172094759.db2.gz ZLIHEXOIIUUBGR-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cncc(C)c1 ZINC000293554602 172094760 /nfs/dbraw/zinc/09/47/60/172094760.db2.gz ZLIHEXOIIUUBGR-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ccncc1C ZINC000295942669 172096212 /nfs/dbraw/zinc/09/62/12/172096212.db2.gz GJWOCNZDWLCCOO-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ccncc1C ZINC000295942669 172096215 /nfs/dbraw/zinc/09/62/15/172096215.db2.gz GJWOCNZDWLCCOO-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000336627911 172098721 /nfs/dbraw/zinc/09/87/21/172098721.db2.gz JMTDTSDZVLIIGT-NSHDSACASA-N 1 2 245.326 2.615 20 0 BFADLO CCc1nocc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000336627911 172098723 /nfs/dbraw/zinc/09/87/23/172098723.db2.gz JMTDTSDZVLIIGT-NSHDSACASA-N 1 2 245.326 2.615 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(C)on2)cn1 ZINC000281929095 172194150 /nfs/dbraw/zinc/19/41/50/172194150.db2.gz AXPIDUZICPAWGV-GHMZBOCLSA-N 1 2 248.330 2.611 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)cc1OC ZINC000051924187 172223411 /nfs/dbraw/zinc/22/34/11/172223411.db2.gz YBEXLSXSXWLPDD-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(C)c1 ZINC000051920657 172225368 /nfs/dbraw/zinc/22/53/68/172225368.db2.gz SAFIRFJWFJSJNF-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000035019268 173698058 /nfs/dbraw/zinc/69/80/58/173698058.db2.gz MZPXMEYCFHUUGJ-TZMCWYRMSA-N 1 2 249.354 2.925 20 0 BFADLO COC(C)(C)CNc1nc(C)[nH+]c2c1CCCC2 ZINC000302059042 173944152 /nfs/dbraw/zinc/94/41/52/173944152.db2.gz BATQKHAFEJXQRE-UHFFFAOYSA-N 1 2 249.358 2.501 20 0 BFADLO COC1(CNc2ccc(C)[nH+]c2)CCCC1 ZINC000309945691 174005917 /nfs/dbraw/zinc/00/59/17/174005917.db2.gz DHIGZFYMWIIKGR-UHFFFAOYSA-N 1 2 220.316 2.761 20 0 BFADLO COCC(C)(C)CCCNc1cc[nH+]c(C)n1 ZINC000288511827 174069600 /nfs/dbraw/zinc/06/96/00/174069600.db2.gz NCDFEZDIIDCVPW-UHFFFAOYSA-N 1 2 237.347 2.650 20 0 BFADLO COCCCC[NH2+]c1ccc(OC)cc1C ZINC000132641998 174205016 /nfs/dbraw/zinc/20/50/16/174205016.db2.gz MZMSCYDYSMQQAE-UHFFFAOYSA-N 1 2 223.316 2.842 20 0 BFADLO COCCC[C@@H](C)[NH2+]c1ccc(OC)cc1 ZINC000182677974 174261339 /nfs/dbraw/zinc/26/13/39/174261339.db2.gz AMJGFFJBBDMVID-LLVKDONJSA-N 1 2 223.316 2.922 20 0 BFADLO COCCC[C@H](C)[NH2+]c1ccc2c(c1)CCO2 ZINC000182137291 174264736 /nfs/dbraw/zinc/26/47/36/174264736.db2.gz KHQADJZWTGQNNU-NSHDSACASA-N 1 2 235.327 2.849 20 0 BFADLO COCCN(C)c1cc(C)[nH+]c2c(F)cccc12 ZINC000121834083 174283149 /nfs/dbraw/zinc/28/31/49/174283149.db2.gz DIXYYEMEYHZDDS-UHFFFAOYSA-N 1 2 248.301 2.765 20 0 BFADLO COCCOc1ccc([NH2+][C@H](C)C2CC2)cc1 ZINC000037106203 174368256 /nfs/dbraw/zinc/36/82/56/174368256.db2.gz VHFLPOJLAHNMTB-LLVKDONJSA-N 1 2 235.327 2.922 20 0 BFADLO COCC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000112013263 174385987 /nfs/dbraw/zinc/38/59/87/174385987.db2.gz HCKXPBCXIGKFJH-SNVBAGLBSA-N 1 2 237.347 2.745 20 0 BFADLO COc1ccc(C)cc1C[N@H+](C)Cc1ccon1 ZINC000353815173 175074616 /nfs/dbraw/zinc/07/46/16/175074616.db2.gz JLRLPLUTJMIHIC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C)cc1C[N@@H+](C)Cc1ccon1 ZINC000353815173 175074618 /nfs/dbraw/zinc/07/46/18/175074618.db2.gz JLRLPLUTJMIHIC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000271941101 175079320 /nfs/dbraw/zinc/07/93/20/175079320.db2.gz ADPHKLVZWQTPKO-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CF ZINC000292939902 175128331 /nfs/dbraw/zinc/12/83/31/175128331.db2.gz DDOXCGGDGJFWLI-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CF ZINC000292939902 175128333 /nfs/dbraw/zinc/12/83/33/175128333.db2.gz DDOXCGGDGJFWLI-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000049714478 175153260 /nfs/dbraw/zinc/15/32/60/175153260.db2.gz GQBZXIJZRCGSRX-UHFFFAOYSA-N 1 2 237.690 2.684 20 0 BFADLO COc1cccc(C[NH+]2Cc3ccccc3C2)n1 ZINC000171829115 175261019 /nfs/dbraw/zinc/26/10/19/175261019.db2.gz HPUOOJKNPGLSNQ-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1cccc(COc2cc[nH+]cc2)c1 ZINC000356091171 175269653 /nfs/dbraw/zinc/26/96/53/175269653.db2.gz IACQJOMFJULDJD-UHFFFAOYSA-N 1 2 215.252 2.669 20 0 BFADLO COc1ccccc1C[NH2+]Cc1nc(C)cs1 ZINC000037988412 175330481 /nfs/dbraw/zinc/33/04/81/175330481.db2.gz RGXKVKARTDRUNL-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncc[nH]1 ZINC000138948128 175346292 /nfs/dbraw/zinc/34/62/92/175346292.db2.gz XHWAFYXZTNDQDZ-GHMZBOCLSA-N 1 2 245.326 2.830 20 0 BFADLO COc1ccccc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000266181876 175352543 /nfs/dbraw/zinc/35/25/43/175352543.db2.gz VLZGOUNQHNSYDM-JTQLQIEISA-N 1 2 243.310 2.967 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C1(CC(C)C)CC1 ZINC000361683078 175374410 /nfs/dbraw/zinc/37/44/10/175374410.db2.gz RLXRZDKUIQISDM-UHFFFAOYSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C(C)=C1CCCC1 ZINC000176594551 175375171 /nfs/dbraw/zinc/37/51/71/175375171.db2.gz ZXSMGLGMMHXZIJ-UHFFFAOYSA-N 1 2 246.310 2.919 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H](C)C(C)(C)C ZINC000265226003 175375238 /nfs/dbraw/zinc/37/52/38/175375238.db2.gz GZPYAWGWWUEORN-VIFPVBQESA-N 1 2 236.315 2.711 20 0 BFADLO COc1ccsc1C(=O)Nc1cc[nH+]cc1C ZINC000107293702 175377520 /nfs/dbraw/zinc/37/75/20/175377520.db2.gz ZEJSMWFRRXNASS-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)c(C)[nH]1 ZINC000674839212 487632521 /nfs/dbraw/zinc/63/25/21/487632521.db2.gz WNPJBJFUHLPCCH-UHFFFAOYSA-N 1 2 243.310 2.896 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccn(C)n1 ZINC000336729743 176025634 /nfs/dbraw/zinc/02/56/34/176025634.db2.gz PALCEMIECQNHTD-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccn(C)n1 ZINC000336729743 176025636 /nfs/dbraw/zinc/02/56/36/176025636.db2.gz PALCEMIECQNHTD-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cscn1 ZINC000171065054 176031632 /nfs/dbraw/zinc/03/16/32/176031632.db2.gz WHYSALYYRXQQKO-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cscn1 ZINC000171065054 176031634 /nfs/dbraw/zinc/03/16/34/176031634.db2.gz WHYSALYYRXQQKO-VIFPVBQESA-N 1 2 222.313 2.929 20 0 BFADLO C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267331421 176180469 /nfs/dbraw/zinc/18/04/69/176180469.db2.gz BSCZZSBHNGTDEO-MRVPVSSYSA-N 1 2 230.233 2.947 20 0 BFADLO C[C@@H]1CC[C@@H]([NH+]=c2[nH]c3c(cccc3F)n2C)C1 ZINC000355680676 176209846 /nfs/dbraw/zinc/20/98/46/176209846.db2.gz YKATULIWZWPGPK-NXEZZACHSA-N 1 2 247.317 2.735 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000302508897 176213958 /nfs/dbraw/zinc/21/39/58/176213958.db2.gz FQTDGPRYWNPPJK-ZYHUDNBSSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(NCC3CC3)nc[nH+]2)C1 ZINC000302508897 176213959 /nfs/dbraw/zinc/21/39/59/176213959.db2.gz FQTDGPRYWNPPJK-ZYHUDNBSSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CC[C@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000133685498 176223022 /nfs/dbraw/zinc/22/30/22/176223022.db2.gz RSAHLLCQJYBVLS-ZJUUUORDSA-N 1 2 234.299 2.552 20 0 BFADLO C[C@@H]1CC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000360103244 176224950 /nfs/dbraw/zinc/22/49/50/176224950.db2.gz VAPYQGTUSUGKPY-MNOVXSKESA-N 1 2 231.343 2.624 20 0 BFADLO C[C@@H]1C[N@H+](CCCCC(F)(F)F)CCC1=O ZINC000124383933 176288068 /nfs/dbraw/zinc/28/80/68/176288068.db2.gz UONPHHVFKCKHRH-SECBINFHSA-N 1 2 237.265 2.630 20 0 BFADLO C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CCC1=O ZINC000124383933 176288070 /nfs/dbraw/zinc/28/80/70/176288070.db2.gz UONPHHVFKCKHRH-SECBINFHSA-N 1 2 237.265 2.630 20 0 BFADLO C[C@@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@@H](C)O1 ZINC000156557215 176301146 /nfs/dbraw/zinc/30/11/46/176301146.db2.gz WICPFIVMTKTULI-NXEZZACHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CCS1 ZINC000353325231 176302633 /nfs/dbraw/zinc/30/26/33/176302633.db2.gz IDQUINBINVOBJC-MRVPVSSYSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CCS1 ZINC000353325231 176302635 /nfs/dbraw/zinc/30/26/35/176302635.db2.gz IDQUINBINVOBJC-MRVPVSSYSA-N 1 2 231.748 2.870 20 0 BFADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1C ZINC000270558747 176320448 /nfs/dbraw/zinc/32/04/48/176320448.db2.gz IUZQSNFPPZNTIO-PHIMTYICSA-N 1 2 229.327 2.666 20 0 BFADLO C[C@@H]1COCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000091810569 176334901 /nfs/dbraw/zinc/33/49/01/176334901.db2.gz XXRDUNNHYMQYOW-QAVQXKDTSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1COCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000091810569 176334902 /nfs/dbraw/zinc/33/49/02/176334902.db2.gz XXRDUNNHYMQYOW-QAVQXKDTSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000336663883 176397961 /nfs/dbraw/zinc/39/79/61/176397961.db2.gz UJARBAVOWHEEGG-FTLITQJKSA-N 1 2 207.239 2.573 20 0 BFADLO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000114336208 176599674 /nfs/dbraw/zinc/59/96/74/176599674.db2.gz JVCLCCLVAKNMTO-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO C[C@H]([NH2+]CCF)c1nc(C(F)(F)F)cs1 ZINC000309145386 176848372 /nfs/dbraw/zinc/84/83/72/176848372.db2.gz VALHBYUZQQJJLV-YFKPBYRVSA-N 1 2 242.241 2.782 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1cnns1 ZINC000290119552 177039039 /nfs/dbraw/zinc/03/90/39/177039039.db2.gz UAGYZGFFIPEZGD-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1cnns1 ZINC000290119552 177039041 /nfs/dbraw/zinc/03/90/41/177039041.db2.gz UAGYZGFFIPEZGD-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nccn1C ZINC000057620370 177039291 /nfs/dbraw/zinc/03/92/91/177039291.db2.gz MKSMJARLZAKSDB-GFCCVEGCSA-N 1 2 229.327 2.613 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nccn1C ZINC000057620370 177039292 /nfs/dbraw/zinc/03/92/92/177039292.db2.gz MKSMJARLZAKSDB-GFCCVEGCSA-N 1 2 229.327 2.613 20 0 BFADLO C[C@H](c1ccccc1F)N(C)Cc1[nH+]ccn1C ZINC000299603386 177041168 /nfs/dbraw/zinc/04/11/68/177041168.db2.gz NBECZFOKBJJPNF-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1cnccn1)[NH+]1Cc2ccccc2C1 ZINC000184534236 177052251 /nfs/dbraw/zinc/05/22/51/177052251.db2.gz MZMVAXUMPZSFHW-LLVKDONJSA-N 1 2 225.295 2.553 20 0 BFADLO C[C@H]1CCCCN1c1[nH]c2ccccc2[nH+]1 ZINC000096906449 177078828 /nfs/dbraw/zinc/07/88/28/177078828.db2.gz LMKDWQFQVLRLOF-JTQLQIEISA-N 1 2 215.300 2.942 20 0 BFADLO C[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110542737 177126410 /nfs/dbraw/zinc/12/64/10/177126410.db2.gz LIUOTBMIPGGFDE-ONGXEEELSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@H]1CC[C@@H](Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000302521332 177193895 /nfs/dbraw/zinc/19/38/95/177193895.db2.gz IWNFJSNXRLTWCN-VHSXEESVSA-N 1 2 242.326 2.813 20 0 BFADLO C[C@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000302569105 177205673 /nfs/dbraw/zinc/20/56/73/177205673.db2.gz YAQZGNRPYRDZHZ-ONGXEEELSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@H]1C[NH+](Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000156557093 177260619 /nfs/dbraw/zinc/26/06/19/177260619.db2.gz WICPFIVMTKTULI-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000092017095 177261103 /nfs/dbraw/zinc/26/11/03/177261103.db2.gz QTHRLQCPPLPHCT-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC000092017095 177261105 /nfs/dbraw/zinc/26/11/05/177261105.db2.gz QTHRLQCPPLPHCT-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1F ZINC000084860715 177263452 /nfs/dbraw/zinc/26/34/52/177263452.db2.gz MDKIKCHIYLJUAO-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(F)cc1F ZINC000084860715 177263454 /nfs/dbraw/zinc/26/34/54/177263454.db2.gz MDKIKCHIYLJUAO-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@H+](Cc2csc(C3CC3)n2)[C@H]1C ZINC000336468635 177270916 /nfs/dbraw/zinc/27/09/16/177270916.db2.gz ZFBKHOFYHJVNBS-IUCAKERBSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@H]1C[N@@H+](Cc2csc(C3CC3)n2)[C@H]1C ZINC000336468635 177270917 /nfs/dbraw/zinc/27/09/17/177270917.db2.gz ZFBKHOFYHJVNBS-IUCAKERBSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693869 177273795 /nfs/dbraw/zinc/27/37/95/177273795.db2.gz GELWZRFEYYAPCB-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693869 177273797 /nfs/dbraw/zinc/27/37/97/177273797.db2.gz GELWZRFEYYAPCB-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693871 177274480 /nfs/dbraw/zinc/27/44/80/177274480.db2.gz GNHINBPWBJPMRQ-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693871 177274482 /nfs/dbraw/zinc/27/44/82/177274482.db2.gz GNHINBPWBJPMRQ-QWRGUYRKSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H]1COCC[N@@H+]1CCc1cccc(Cl)c1 ZINC000297469844 177292665 /nfs/dbraw/zinc/29/26/65/177292665.db2.gz RAGIPBCSIHNMSP-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H]1COCC[N@H+]1CCc1cccc(Cl)c1 ZINC000297469844 177292667 /nfs/dbraw/zinc/29/26/67/177292667.db2.gz RAGIPBCSIHNMSP-NSHDSACASA-N 1 2 239.746 2.603 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1c(F)cccc1F ZINC000179665958 177304758 /nfs/dbraw/zinc/30/47/58/177304758.db2.gz RBFFYLVSTYCUSQ-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1c(F)cccc1F ZINC000179665958 177304759 /nfs/dbraw/zinc/30/47/59/177304759.db2.gz RBFFYLVSTYCUSQ-VIFPVBQESA-N 1 2 243.322 2.902 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000295204873 177309338 /nfs/dbraw/zinc/30/93/38/177309338.db2.gz VWGJLMVGIZEZMM-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000295204873 177309339 /nfs/dbraw/zinc/30/93/39/177309339.db2.gz VWGJLMVGIZEZMM-IUCAKERBSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000336364423 177317587 /nfs/dbraw/zinc/31/75/87/177317587.db2.gz GRGMMEGPGPIFAU-ZJUUUORDSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348521 177335158 /nfs/dbraw/zinc/33/51/58/177335158.db2.gz XBUWARHBSHTCHX-AAEUAGOBSA-N 1 2 234.343 2.732 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348521 177335160 /nfs/dbraw/zinc/33/51/60/177335160.db2.gz XBUWARHBSHTCHX-AAEUAGOBSA-N 1 2 234.343 2.732 20 0 BFADLO C[C@H]1Cc2ccccc2N1CCCn1cc[nH+]c1 ZINC000182623769 177390460 /nfs/dbraw/zinc/39/04/60/177390460.db2.gz VZFSRDGZXUWULY-ZDUSSCGKSA-N 1 2 241.338 2.724 20 0 BFADLO CN(C(=O)C=Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000492866581 226069821 /nfs/dbraw/zinc/06/98/21/226069821.db2.gz WPABBCMQBYZLCW-HJWRWDBZSA-N 1 2 247.342 2.604 20 0 BFADLO Cc1cc(NC(=O)C=Cc2c[nH]c[nH+]2)ccc1F ZINC000492904262 226081532 /nfs/dbraw/zinc/08/15/32/226081532.db2.gz WFRCJQWMLDIYDO-HYXAFXHYSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCCCCCC1 ZINC000493481164 226227894 /nfs/dbraw/zinc/22/78/94/226227894.db2.gz LRINKMFOJMQOLZ-BQYQJAHWSA-N 1 2 247.342 2.606 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)/C=C\C(C)(C)C)[nH+]1 ZINC000493583825 226244504 /nfs/dbraw/zinc/24/45/04/226244504.db2.gz KSLDLTVDNUWZCG-FPLPWBNLSA-N 1 2 249.358 2.672 20 0 BFADLO C[C@H](CO)C[N@@H+]1CCCCCc2ccccc21 ZINC000678045896 487650196 /nfs/dbraw/zinc/65/01/96/487650196.db2.gz IJFYDJZGUCITQO-ZDUSSCGKSA-N 1 2 233.355 2.848 20 0 BFADLO C[C@H](CO)C[N@H+]1CCCCCc2ccccc21 ZINC000678045896 487650202 /nfs/dbraw/zinc/65/02/02/487650202.db2.gz IJFYDJZGUCITQO-ZDUSSCGKSA-N 1 2 233.355 2.848 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCc2occc21)C(F)F ZINC000228486525 487657522 /nfs/dbraw/zinc/65/75/22/487657522.db2.gz PXHMQPBYVQEVAU-IONNQARKSA-N 1 2 215.243 2.900 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000097039963 487688482 /nfs/dbraw/zinc/68/84/82/487688482.db2.gz YYEMLWYSENCWTG-WRWORJQWSA-N 1 2 218.300 2.601 20 0 BFADLO CC/C=C\CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681020904 487696966 /nfs/dbraw/zinc/69/69/66/487696966.db2.gz MCZIKBDRBVUHEQ-UMBAGQNISA-N 1 2 237.265 2.606 20 0 BFADLO CC/C=C\CC[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000681020904 487696973 /nfs/dbraw/zinc/69/69/73/487696973.db2.gz MCZIKBDRBVUHEQ-UMBAGQNISA-N 1 2 237.265 2.606 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)F)[C@H]1CC1(C)C ZINC000397627978 262927807 /nfs/dbraw/zinc/92/78/07/262927807.db2.gz NEDVFWFJSJBWAX-HTQZYQBOSA-N 1 2 209.255 2.963 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1csc(C)c1 ZINC000671724809 487705900 /nfs/dbraw/zinc/70/59/00/487705900.db2.gz BZOYKRUOQBZCKH-UHFFFAOYSA-N 1 2 246.335 2.688 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@@H+]1CCCC1CCCC1 ZINC000682033299 487712066 /nfs/dbraw/zinc/71/20/66/487712066.db2.gz DBCVOGYSOFZWGI-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@@H]1CC(F)(F)C[N@H+]1CCCC1CCCC1 ZINC000682033299 487712069 /nfs/dbraw/zinc/71/20/69/487712069.db2.gz DBCVOGYSOFZWGI-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO C[C@@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000665694526 487732668 /nfs/dbraw/zinc/73/26/68/487732668.db2.gz YOCKYGWGQROPSP-VIFPVBQESA-N 1 2 232.331 2.509 20 0 BFADLO C[C@@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000665694526 487732677 /nfs/dbraw/zinc/73/26/77/487732677.db2.gz YOCKYGWGQROPSP-VIFPVBQESA-N 1 2 232.331 2.509 20 0 BFADLO COc1ccc(N[C@@H](C)c2ccc(F)cn2)[nH+]c1 ZINC000679068654 487748424 /nfs/dbraw/zinc/74/84/24/487748424.db2.gz LDWQQOGQHZZRSN-VIFPVBQESA-N 1 2 247.273 2.797 20 0 BFADLO CCc1cc(NC2CCC(COC)CC2)nc[nH+]1 ZINC000665748522 487754158 /nfs/dbraw/zinc/75/41/58/487754158.db2.gz BFOSFSWCLDYHDY-UHFFFAOYSA-N 1 2 249.358 2.656 20 0 BFADLO CC[C@@H](COC)Nc1c[nH+]cc2c1CCCC2 ZINC000668440164 487758162 /nfs/dbraw/zinc/75/81/62/487758162.db2.gz JYVNFQHXTHIKKS-LBPRGKRZSA-N 1 2 234.343 2.797 20 0 BFADLO c1[nH+]cc(N[C@@H]2CCCOCC2)c2c1CCCC2 ZINC000668440928 487758858 /nfs/dbraw/zinc/75/88/58/487758858.db2.gz RGBGFFMZYIJPCP-CYBMUJFWSA-N 1 2 246.354 2.941 20 0 BFADLO c1[nH+]cc(N[C@H]2CCCOCC2)c2c1CCCC2 ZINC000668440930 487759298 /nfs/dbraw/zinc/75/92/98/487759298.db2.gz RGBGFFMZYIJPCP-ZDUSSCGKSA-N 1 2 246.354 2.941 20 0 BFADLO C[C@@H](Nc1c[nH+]cc2c1CCCC2)[C@@H]1CCOC1 ZINC000668441598 487759875 /nfs/dbraw/zinc/75/98/75/487759875.db2.gz VPHOYGZYKCEPPJ-DGCLKSJQSA-N 1 2 246.354 2.797 20 0 BFADLO Cc1ccc(N[C@H]2CO[C@@H](C3CC3)C2)c(C)[nH+]1 ZINC000667912918 487760524 /nfs/dbraw/zinc/76/05/24/487760524.db2.gz RAWFEWYLBGDGIO-TZMCWYRMSA-N 1 2 232.327 2.678 20 0 BFADLO CCc1ncc(C[N@H+](CC)Cc2ccoc2)cn1 ZINC000666304713 487782182 /nfs/dbraw/zinc/78/21/82/487782182.db2.gz VGMDKZFJYUKWFC-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1ncc(C[N@@H+](CC)Cc2ccoc2)cn1 ZINC000666304713 487782185 /nfs/dbraw/zinc/78/21/85/487782185.db2.gz VGMDKZFJYUKWFC-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C[C@@H]1F ZINC000679219380 487782704 /nfs/dbraw/zinc/78/27/04/487782704.db2.gz CPYUAAYULWIUIU-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cn3ccccc3n2)C[C@@H]1F ZINC000679219380 487782706 /nfs/dbraw/zinc/78/27/06/487782706.db2.gz CPYUAAYULWIUIU-AAEUAGOBSA-N 1 2 247.317 2.514 20 0 BFADLO Cc1ccc(NC(=O)N2CC3CC2(C)C3)c(C)[nH+]1 ZINC000666314538 487784144 /nfs/dbraw/zinc/78/41/44/487784144.db2.gz JQUDASSAOBJBTG-UHFFFAOYSA-N 1 2 245.326 2.715 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CCC(c2ccco2)CC1 ZINC000668461811 487785178 /nfs/dbraw/zinc/78/51/78/487785178.db2.gz FVAVHNNCICWHDL-UHFFFAOYSA-N 1 2 245.326 2.691 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1nccn1C ZINC000198752064 487795670 /nfs/dbraw/zinc/79/56/70/487795670.db2.gz YGVMWOBJRHXHPV-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1nccn1C ZINC000198752064 487795672 /nfs/dbraw/zinc/79/56/72/487795672.db2.gz YGVMWOBJRHXHPV-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2ccsc2CCN1Cc1[nH+]ccn1C ZINC000198752064 487795680 /nfs/dbraw/zinc/79/56/80/487795680.db2.gz YGVMWOBJRHXHPV-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846828970 588291372 /nfs/dbraw/zinc/29/13/72/588291372.db2.gz MVUKXVBIEYFWHC-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@H+](C)CC(F)F ZINC000681685705 487840683 /nfs/dbraw/zinc/84/06/83/487840683.db2.gz DLNNDEHDEHTTNN-SECBINFHSA-N 1 2 231.261 2.954 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC(F)F ZINC000681685705 487840685 /nfs/dbraw/zinc/84/06/85/487840685.db2.gz DLNNDEHDEHTTNN-SECBINFHSA-N 1 2 231.261 2.954 20 0 BFADLO CC1(C)CC[C@H]1[NH2+]CC(F)(F)C(F)F ZINC000308530647 631420876 /nfs/dbraw/zinc/42/08/76/631420876.db2.gz KRBKQSHORXFYFT-ZCFIWIBFSA-N 1 2 213.218 2.665 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@H](C)C(C)(C)C ZINC000670263506 487863423 /nfs/dbraw/zinc/86/34/23/487863423.db2.gz UDQLMDKEIKPDCL-JTQLQIEISA-N 1 2 237.334 2.882 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@H](C)C(C)(C)C ZINC000670263506 487863426 /nfs/dbraw/zinc/86/34/26/487863426.db2.gz UDQLMDKEIKPDCL-JTQLQIEISA-N 1 2 237.334 2.882 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)C1=CCCCC1 ZINC000682081890 487905811 /nfs/dbraw/zinc/90/58/11/487905811.db2.gz BFQALZPFPOJAAU-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO CCc1ccccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000682085913 487906617 /nfs/dbraw/zinc/90/66/17/487906617.db2.gz WAJPSRYIJNJKBI-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO CCc1ccccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000682085913 487906621 /nfs/dbraw/zinc/90/66/21/487906621.db2.gz WAJPSRYIJNJKBI-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000667061812 487918537 /nfs/dbraw/zinc/91/85/37/487918537.db2.gz XYOCTNJTMTWXNR-RYUDHWBXSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1cc(N2CCC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000672323920 487920179 /nfs/dbraw/zinc/92/01/79/487920179.db2.gz WMTGCMHVDAPMHQ-NEPJUHHUSA-N 1 2 229.327 2.651 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2cscn2)c1 ZINC000652330951 487921328 /nfs/dbraw/zinc/92/13/28/487921328.db2.gz TYCBAJLQBSYWNW-VIFPVBQESA-N 1 2 249.339 2.858 20 0 BFADLO Cc1cc(NC(=O)CCc2ccccc2)cc[nH+]1 ZINC000072709714 323000981 /nfs/dbraw/zinc/00/09/81/323000981.db2.gz HNXYPRGGEFJGFG-UHFFFAOYSA-N 1 2 240.306 2.961 20 0 BFADLO CN(C)c1ccc(NCc2ccc(F)cc2)[nH+]c1 ZINC000150915195 323002803 /nfs/dbraw/zinc/00/28/03/323002803.db2.gz KYAPTUCEDLAPER-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO Cc1cc(NC(=O)[C@]2(C)CCC[C@H]2C)c(C)c[nH+]1 ZINC000562531360 323022988 /nfs/dbraw/zinc/02/29/88/323022988.db2.gz AVEXTWZAYVCDBT-IAQYHMDHSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1cc(C)[nH+]cc1C ZINC000562690947 323027426 /nfs/dbraw/zinc/02/74/26/323027426.db2.gz FAJBXVCAPCYCFW-STQMWFEESA-N 1 2 246.354 2.885 20 0 BFADLO Clc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000306530038 323031377 /nfs/dbraw/zinc/03/13/77/323031377.db2.gz CSQBVJQEZJDWBO-UHFFFAOYSA-N 1 2 207.664 2.675 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1 ZINC000242988584 323032674 /nfs/dbraw/zinc/03/26/74/323032674.db2.gz HSPJEKKLBXDLIW-VXGBXAGGSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000242988584 323032675 /nfs/dbraw/zinc/03/26/75/323032675.db2.gz HSPJEKKLBXDLIW-VXGBXAGGSA-N 1 2 248.374 2.923 20 0 BFADLO CN(CCCOc1cc[nH+]cc1)c1ccccc1 ZINC000570332145 323056257 /nfs/dbraw/zinc/05/62/57/323056257.db2.gz IKBWOBJKOAQKMV-UHFFFAOYSA-N 1 2 242.322 2.987 20 0 BFADLO CC[C@@H](CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000570941860 323076065 /nfs/dbraw/zinc/07/60/65/323076065.db2.gz RABPUWUKNJJRLC-MNOVXSKESA-N 1 2 237.347 2.659 20 0 BFADLO CC[C@H](CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000570941859 323076073 /nfs/dbraw/zinc/07/60/73/323076073.db2.gz RABPUWUKNJJRLC-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccccc2C)no1 ZINC000181538199 323079001 /nfs/dbraw/zinc/07/90/01/323079001.db2.gz HTRLMWKCZSNADP-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CCC[C@@H]1CCCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000522068258 323079639 /nfs/dbraw/zinc/07/96/39/323079639.db2.gz HMZHTWZUSRXTHG-VXGBXAGGSA-N 1 2 249.358 2.807 20 0 BFADLO CCCCc1nc(C[N@H+](C)CC2CCC2)no1 ZINC000111297350 323084947 /nfs/dbraw/zinc/08/49/47/323084947.db2.gz RNHLSWWWTMKSIE-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CC2CCC2)no1 ZINC000111297350 323084948 /nfs/dbraw/zinc/08/49/48/323084948.db2.gz RNHLSWWWTMKSIE-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1F ZINC000563273869 323107289 /nfs/dbraw/zinc/10/72/89/323107289.db2.gz YDJCEAXUIYJAKL-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1F ZINC000563273869 323107290 /nfs/dbraw/zinc/10/72/90/323107290.db2.gz YDJCEAXUIYJAKL-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000563273383 323107299 /nfs/dbraw/zinc/10/72/99/323107299.db2.gz QBGHPFKYRGCZGS-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)cc1C[N@H+]1CCC[C@@H](F)C1 ZINC000563273383 323107300 /nfs/dbraw/zinc/10/73/00/323107300.db2.gz QBGHPFKYRGCZGS-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535773170 323190894 /nfs/dbraw/zinc/19/08/94/323190894.db2.gz AJOHZKGOMUPDMX-BXKDBHETSA-N 1 2 249.358 2.676 20 0 BFADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000535773172 323190906 /nfs/dbraw/zinc/19/09/06/323190906.db2.gz AJOHZKGOMUPDMX-JOYOIKCWSA-N 1 2 249.358 2.676 20 0 BFADLO CCCN(CCC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536621756 323198696 /nfs/dbraw/zinc/19/86/96/323198696.db2.gz ZWAQMIJGZDCVCJ-UHFFFAOYSA-N 1 2 249.358 2.774 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000536657652 323200084 /nfs/dbraw/zinc/20/00/84/323200084.db2.gz MMXSYONFAYYCJL-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO Cc1ccsc1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000536657652 323200085 /nfs/dbraw/zinc/20/00/85/323200085.db2.gz MMXSYONFAYYCJL-JTQLQIEISA-N 1 2 249.339 2.777 20 0 BFADLO CCc1nc(C[N@H+](C)CC2CCCCC2)no1 ZINC000054315668 323204105 /nfs/dbraw/zinc/20/41/05/323204105.db2.gz PIMGLCQJYCBKON-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@@H+](C)CC2CCCCC2)no1 ZINC000054315668 323204106 /nfs/dbraw/zinc/20/41/06/323204106.db2.gz PIMGLCQJYCBKON-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCc1cc(NCc2[nH]cc[nH+]2)ccc1C ZINC000134535765 323207234 /nfs/dbraw/zinc/20/72/34/323207234.db2.gz VSKYVVHVGYQNSQ-UHFFFAOYSA-N 1 2 215.300 2.893 20 0 BFADLO Clc1sccc1CNc1c[nH]c[nH+]1 ZINC000307737769 323343170 /nfs/dbraw/zinc/34/31/70/323343170.db2.gz VHAOCJRRKWMNDU-UHFFFAOYSA-N 1 2 213.693 2.737 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCC12CC2 ZINC000528321048 323797561 /nfs/dbraw/zinc/79/75/61/323797561.db2.gz WEGYWRQCCRVNED-SNVBAGLBSA-N 1 2 246.310 2.609 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000118005230 323903945 /nfs/dbraw/zinc/90/39/45/323903945.db2.gz LPUHHUOYXJKAIS-OAHLLOKOSA-N 1 2 249.354 2.816 20 0 BFADLO CC(C)[N@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000061164148 324059338 /nfs/dbraw/zinc/05/93/38/324059338.db2.gz SWFPGUJJOVASNG-UHFFFAOYSA-N 1 2 237.347 2.740 20 0 BFADLO CC(C)[N@@H+](Cc1noc(C(C)(C)C)n1)C1CC1 ZINC000061164148 324059342 /nfs/dbraw/zinc/05/93/42/324059342.db2.gz SWFPGUJJOVASNG-UHFFFAOYSA-N 1 2 237.347 2.740 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000541688904 324107491 /nfs/dbraw/zinc/10/74/91/324107491.db2.gz CPCLCLLRYNPBJS-IUCAKERBSA-N 1 2 249.289 2.929 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccoc1 ZINC000521196205 324179241 /nfs/dbraw/zinc/17/92/41/324179241.db2.gz PKAFIFIJOQCNGN-QWRGUYRKSA-N 1 2 233.315 2.908 20 0 BFADLO Cc1ccc(NC(=O)NCC2CC=CC2)c(C)[nH+]1 ZINC000529014875 324232129 /nfs/dbraw/zinc/23/21/29/324232129.db2.gz NRYWXNJJEOITFF-UHFFFAOYSA-N 1 2 245.326 2.786 20 0 BFADLO COc1ccc[nH+]c1NCCc1nc(C)cs1 ZINC000128044191 324801920 /nfs/dbraw/zinc/80/19/20/324801920.db2.gz GHLICGQEQDCUFL-UHFFFAOYSA-N 1 2 249.339 2.510 20 0 BFADLO CCN(CC)c1nc(C)[nH+]c2c1CCCC2 ZINC000541046685 324944180 /nfs/dbraw/zinc/94/41/80/324944180.db2.gz CGTOEZVJIOQIGB-UHFFFAOYSA-N 1 2 219.332 2.510 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1csc(Cl)c1 ZINC000230409454 325021897 /nfs/dbraw/zinc/02/18/97/325021897.db2.gz PNKIBDLARVCNTC-ZETCQYMHSA-N 1 2 241.747 2.975 20 0 BFADLO CSCc1cccc(NCc2c[nH+]cn2C)c1 ZINC000131234305 325128630 /nfs/dbraw/zinc/12/86/30/325128630.db2.gz PSCZSEIZCURCTQ-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N(C)C1CC(O)C1 ZINC000544701257 325155506 /nfs/dbraw/zinc/15/55/06/325155506.db2.gz MHBDVMAILUIKAD-UHFFFAOYSA-N 1 2 242.322 2.503 20 0 BFADLO COC[C@@H](C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000131736594 325180180 /nfs/dbraw/zinc/18/01/80/325180180.db2.gz WWNIPPPRZMCISD-LBPRGKRZSA-N 1 2 245.326 2.567 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CC1(C)C ZINC000234949519 325243529 /nfs/dbraw/zinc/24/35/29/325243529.db2.gz PIRGLUMPWBJYBS-VIFPVBQESA-N 1 2 206.289 2.548 20 0 BFADLO CCC[N@@H+](CCc1ccccn1)CC(F)F ZINC000133398504 325292903 /nfs/dbraw/zinc/29/29/03/325292903.db2.gz OIFWQJKZFQLKEK-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC[N@H+](CCc1ccccn1)CC(F)F ZINC000133398504 325292901 /nfs/dbraw/zinc/29/29/01/325292901.db2.gz OIFWQJKZFQLKEK-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO c1[nH]cc(NCc2ccc(OCC3CC3)cc2)[nH+]1 ZINC000564312013 325320903 /nfs/dbraw/zinc/32/09/03/325320903.db2.gz VRGPRVUAOYABNH-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccsc2)s1 ZINC000134720520 325373416 /nfs/dbraw/zinc/37/34/16/325373416.db2.gz VGCVPGCSYPOJHP-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@H](NC(=O)C[C@@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000547750160 325391649 /nfs/dbraw/zinc/39/16/49/325391649.db2.gz GEDGDUVSSRXKAL-NEPJUHHUSA-N 1 2 247.342 2.723 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C)c(C)c[nH+]1 ZINC000564867648 325820713 /nfs/dbraw/zinc/82/07/13/325820713.db2.gz IVJLRUGSFOHQFR-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO C[C@@H](CC(=O)NC1(C)CCCCC1)n1cc[nH+]c1 ZINC000565053223 325852592 /nfs/dbraw/zinc/85/25/92/325852592.db2.gz GGTVHMGYNGUVFO-LBPRGKRZSA-N 1 2 249.358 2.673 20 0 BFADLO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000565243244 325885682 /nfs/dbraw/zinc/88/56/82/325885682.db2.gz BQRBELOCERVXDM-VHSXEESVSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CCC[C@@H](F)C3)n2c1 ZINC000566352922 326035867 /nfs/dbraw/zinc/03/58/67/326035867.db2.gz BMNZIKRXBUYEHU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](F)C3)n2c1 ZINC000566352922 326035869 /nfs/dbraw/zinc/03/58/69/326035869.db2.gz BMNZIKRXBUYEHU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3CCC[C@@H](F)C3)n2c1 ZINC000566352922 326035872 /nfs/dbraw/zinc/03/58/72/326035872.db2.gz BMNZIKRXBUYEHU-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO CC(C)(C)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000566363822 326037526 /nfs/dbraw/zinc/03/75/26/326037526.db2.gz CCKXOYNFYWVXEK-UHFFFAOYSA-N 1 2 237.347 2.587 20 0 BFADLO CCc1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000307576402 326114149 /nfs/dbraw/zinc/11/41/49/326114149.db2.gz KBBQOTTVAGDEDG-UHFFFAOYSA-N 1 2 207.302 2.646 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCOCC1 ZINC000309883527 326172985 /nfs/dbraw/zinc/17/29/85/326172985.db2.gz WXTOFHVVLRYPME-PSASIEDQSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1cc(C[NH2+]Cc2scnc2C2CC2)no1 ZINC000567559055 326216686 /nfs/dbraw/zinc/21/66/86/326216686.db2.gz YLWNCLDVYUMBKN-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO CCCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000567750608 326255516 /nfs/dbraw/zinc/25/55/16/326255516.db2.gz CWFWHBSJTVKRER-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO COc1cccc(CCCn2cc[nH+]c2)c1 ZINC000158754563 326342517 /nfs/dbraw/zinc/34/25/17/326342517.db2.gz OVMOCXOBZBIZBM-UHFFFAOYSA-N 1 2 216.284 2.525 20 0 BFADLO CCC(C)(C)CC[N@@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545474 487983607 /nfs/dbraw/zinc/98/36/07/487983607.db2.gz DFXBXRUBRYCTJI-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO CCC(C)(C)CC[N@H+]1C[C@@H](O)CC(F)(F)C1 ZINC000682545474 487983609 /nfs/dbraw/zinc/98/36/09/487983609.db2.gz DFXBXRUBRYCTJI-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000682546973 487984613 /nfs/dbraw/zinc/98/46/13/487984613.db2.gz GKFKWJAUFWONIN-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2C[C@H](O)CC(F)(F)C2)C1 ZINC000682546973 487984619 /nfs/dbraw/zinc/98/46/19/487984619.db2.gz GKFKWJAUFWONIN-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cccc(F)c2)n1 ZINC000097075150 488020307 /nfs/dbraw/zinc/02/03/07/488020307.db2.gz GXRUZPRVZGYRGC-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000097075150 488020311 /nfs/dbraw/zinc/02/03/11/488020311.db2.gz GXRUZPRVZGYRGC-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ccnn1CC1CC1 ZINC000667479665 488023145 /nfs/dbraw/zinc/02/31/45/488023145.db2.gz NBHUXDYSJOGZAI-UHFFFAOYSA-N 1 2 245.326 2.518 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ccnn1CC1CC1 ZINC000667479665 488023149 /nfs/dbraw/zinc/02/31/49/488023149.db2.gz NBHUXDYSJOGZAI-UHFFFAOYSA-N 1 2 245.326 2.518 20 0 BFADLO C[C@@H](c1ccco1)N(C)Cc1c[nH+]c2n1CCC2 ZINC000667499306 488030413 /nfs/dbraw/zinc/03/04/13/488030413.db2.gz GDQOEAICAIOZPV-NSHDSACASA-N 1 2 245.326 2.615 20 0 BFADLO CCO[C@H](C)c1nccn1Cc1ccc[nH+]c1C ZINC000685567905 487550096 /nfs/dbraw/zinc/55/00/96/487550096.db2.gz UTYHUERLPABHPP-GFCCVEGCSA-N 1 2 245.326 2.732 20 0 BFADLO COc1ccc(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000334742644 487554451 /nfs/dbraw/zinc/55/44/51/487554451.db2.gz MBUVHRCNEJQFSN-UHFFFAOYSA-N 1 2 237.730 2.944 20 0 BFADLO C[C@H]1OCC[C@@]1(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680066148 487530915 /nfs/dbraw/zinc/53/09/15/487530915.db2.gz NBUZKEXCUYVBDW-QMTHXVAHSA-N 1 2 249.358 2.754 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000679905564 487484426 /nfs/dbraw/zinc/48/44/26/487484426.db2.gz XBTKPODCCRJWPI-WDEREUQCSA-N 1 2 234.343 2.796 20 0 BFADLO CCOC1C[NH+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000668231442 487496336 /nfs/dbraw/zinc/49/63/36/487496336.db2.gz ZKSZGIBEUJTGEU-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO CC[C@H]1C[C@@H](Nc2c[nH+]cc(C)c2)CCO1 ZINC000232074210 487501700 /nfs/dbraw/zinc/50/17/00/487501700.db2.gz BASXUMAPMUGLHK-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO CCCn1nccc1CNc1c[nH+]cc(C)c1 ZINC000232073910 487501948 /nfs/dbraw/zinc/50/19/48/487501948.db2.gz OIPPWMIOXIDZNL-UHFFFAOYSA-N 1 2 230.315 2.609 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccsc2)n1 ZINC000381337970 487504169 /nfs/dbraw/zinc/50/41/69/487504169.db2.gz WMWXVPSAUYKTOM-HTQZYQBOSA-N 1 2 237.328 2.851 20 0 BFADLO CC[C@H](Nc1ccc(OC)c[nH+]1)[C@H]1C[C@H]1C ZINC000666120019 487504174 /nfs/dbraw/zinc/50/41/74/487504174.db2.gz JBDGYHBYEJDBJF-USWWRNFRSA-N 1 2 220.316 2.937 20 0 BFADLO Cc1cc(CNc2cc[nH+]c(C(C)(C)C)n2)no1 ZINC000674064416 487507383 /nfs/dbraw/zinc/50/73/83/487507383.db2.gz VQPIVROMLFUVHB-UHFFFAOYSA-N 1 2 246.314 2.683 20 0 BFADLO CCCC[N@H+](Cc1nnc(CC)s1)C1CC1 ZINC000680045404 487526033 /nfs/dbraw/zinc/52/60/33/487526033.db2.gz HJKLXQWIGIVTKG-UHFFFAOYSA-N 1 2 239.388 2.865 20 0 BFADLO CCCC[N@@H+](Cc1nnc(CC)s1)C1CC1 ZINC000680045404 487526039 /nfs/dbraw/zinc/52/60/39/487526039.db2.gz HJKLXQWIGIVTKG-UHFFFAOYSA-N 1 2 239.388 2.865 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cocn1 ZINC000683354545 488152063 /nfs/dbraw/zinc/15/20/63/488152063.db2.gz BKASYWPHVJPPFW-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1cc2ccccc2o1 ZINC000685613295 487564673 /nfs/dbraw/zinc/56/46/73/487564673.db2.gz NAPOXVQWPYYMRS-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000685838641 487584115 /nfs/dbraw/zinc/58/41/15/487584115.db2.gz MTERMYWIFZAKRH-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO CCc1cc(N[C@H]2CCOC3(CCC3)C2)nc[nH+]1 ZINC000676030282 487801182 /nfs/dbraw/zinc/80/11/82/487801182.db2.gz HGFPJIDEWOOYEA-LBPRGKRZSA-N 1 2 247.342 2.553 20 0 BFADLO Cc1cccc(NCc2[nH]nc3ccccc32)[nH+]1 ZINC000676199072 487820112 /nfs/dbraw/zinc/82/01/12/487820112.db2.gz MCXITAKGIANLPB-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)o1 ZINC000683221393 488130427 /nfs/dbraw/zinc/13/04/27/488130427.db2.gz UWHATJIEAPQGHB-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(F)c(F)cc1OCc1c[nH+]cn1C ZINC000310244312 488147159 /nfs/dbraw/zinc/14/71/59/488147159.db2.gz VCABYODLPOYUPM-UHFFFAOYSA-N 1 2 238.237 2.586 20 0 BFADLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cocn1 ZINC000683354545 488152057 /nfs/dbraw/zinc/15/20/57/488152057.db2.gz BKASYWPHVJPPFW-RKDXNWHRSA-N 1 2 248.248 2.837 20 0 BFADLO CC[C@H](C)NC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667948026 488165738 /nfs/dbraw/zinc/16/57/38/488165738.db2.gz KZKCCVBIQYJJCP-JTQLQIEISA-N 1 2 246.314 2.563 20 0 BFADLO Clc1snnc1C[N@@H+]1CCCC12CCC2 ZINC000683528092 488188193 /nfs/dbraw/zinc/18/81/93/488188193.db2.gz XSPUGSBAXVSTRS-UHFFFAOYSA-N 1 2 243.763 2.710 20 0 BFADLO Clc1snnc1C[N@H+]1CCCC12CCC2 ZINC000683528092 488188195 /nfs/dbraw/zinc/18/81/95/488188195.db2.gz XSPUGSBAXVSTRS-UHFFFAOYSA-N 1 2 243.763 2.710 20 0 BFADLO Fc1ccccc1C[N@H+](Cc1cn[nH]c1)C1CC1 ZINC000678126753 488201608 /nfs/dbraw/zinc/20/16/08/488201608.db2.gz RRUJEBAAGBCPCX-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Fc1ccccc1C[N@@H+](Cc1cn[nH]c1)C1CC1 ZINC000678126753 488201610 /nfs/dbraw/zinc/20/16/10/488201610.db2.gz RRUJEBAAGBCPCX-UHFFFAOYSA-N 1 2 245.301 2.713 20 0 BFADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1F ZINC000335954433 488204537 /nfs/dbraw/zinc/20/45/37/488204537.db2.gz SUSLHEPQVWEQDJ-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cn2ccc(NC(=O)N(C)C(C)C)cc2[nH+]1 ZINC000668157587 488210917 /nfs/dbraw/zinc/21/09/17/488210917.db2.gz WKSKHXBIXQUBBP-UHFFFAOYSA-N 1 2 246.314 2.515 20 0 BFADLO CC(C)(C)c1nc(N[C@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000683756463 488216748 /nfs/dbraw/zinc/21/67/48/488216748.db2.gz HITRJBYPEMSXTB-IAZYJMLFSA-N 1 2 231.343 2.985 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CSc3ccccc32)o1 ZINC000231640961 488217938 /nfs/dbraw/zinc/21/79/38/488217938.db2.gz CEHKHGBANDMFSN-NSHDSACASA-N 1 2 246.335 2.920 20 0 BFADLO Cn1nccc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283352 488237011 /nfs/dbraw/zinc/23/70/11/488237011.db2.gz JOVCMRYQVSPQAD-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1nccc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000678283352 488237013 /nfs/dbraw/zinc/23/70/13/488237013.db2.gz JOVCMRYQVSPQAD-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000683897064 488238629 /nfs/dbraw/zinc/23/86/29/488238629.db2.gz LAODCGQJLPXZDR-NSHDSACASA-N 1 2 245.326 2.670 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000683897064 488238631 /nfs/dbraw/zinc/23/86/31/488238631.db2.gz LAODCGQJLPXZDR-NSHDSACASA-N 1 2 245.326 2.670 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CCn3cccc3[C@H]2C)o1 ZINC000683897063 488238754 /nfs/dbraw/zinc/23/87/54/488238754.db2.gz LAODCGQJLPXZDR-LLVKDONJSA-N 1 2 245.326 2.670 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CCn3cccc3[C@H]2C)o1 ZINC000683897063 488238756 /nfs/dbraw/zinc/23/87/56/488238756.db2.gz LAODCGQJLPXZDR-LLVKDONJSA-N 1 2 245.326 2.670 20 0 BFADLO CC(C)(CO)CNc1[nH+]ccc2ccc(F)cc21 ZINC000678313171 488239866 /nfs/dbraw/zinc/23/98/66/488239866.db2.gz QHHRWRFBXDGHOJ-UHFFFAOYSA-N 1 2 248.301 2.804 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cn(C)cn1 ZINC000683899717 488241844 /nfs/dbraw/zinc/24/18/44/488241844.db2.gz YRQZFSMAMAHJKF-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cn(C)cn1 ZINC000683899717 488241846 /nfs/dbraw/zinc/24/18/46/488241846.db2.gz YRQZFSMAMAHJKF-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1F)N(C)Cc1cn(C)c[nH+]1 ZINC000683899717 488241849 /nfs/dbraw/zinc/24/18/49/488241849.db2.gz YRQZFSMAMAHJKF-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@H]2C[C@H]21 ZINC000672322721 488251158 /nfs/dbraw/zinc/25/11/58/488251158.db2.gz JQAGFVBPLJWENH-GXFFZTMASA-N 1 2 227.311 2.562 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC2(C)C)[nH+]1 ZINC000672343977 488253119 /nfs/dbraw/zinc/25/31/19/488253119.db2.gz WPUNQTMOAXVPPC-JTQLQIEISA-N 1 2 230.315 2.867 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)CCOC(C)(C)C)o1 ZINC000678462929 488257090 /nfs/dbraw/zinc/25/70/90/488257090.db2.gz MDFDOFPMCMNVCU-NSHDSACASA-N 1 2 240.347 2.791 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)CCOC(C)(C)C)o1 ZINC000678462929 488257092 /nfs/dbraw/zinc/25/70/92/488257092.db2.gz MDFDOFPMCMNVCU-NSHDSACASA-N 1 2 240.347 2.791 20 0 BFADLO FC(F)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000678468333 488257599 /nfs/dbraw/zinc/25/75/99/488257599.db2.gz VRUIEKZNLBWLNB-UHFFFAOYSA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1CC[N@H+](CC(F)F)CC12CCC2 ZINC000678469372 488258277 /nfs/dbraw/zinc/25/82/77/488258277.db2.gz SCOHANHVPPDZKT-SECBINFHSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@@H]1CC[N@@H+](CC(F)F)CC12CCC2 ZINC000678469372 488258280 /nfs/dbraw/zinc/25/82/80/488258280.db2.gz SCOHANHVPPDZKT-SECBINFHSA-N 1 2 203.276 2.764 20 0 BFADLO Cn1cc[nH+]c1CNc1ccc(C2CC2)cc1 ZINC000678481640 488259871 /nfs/dbraw/zinc/25/98/71/488259871.db2.gz QZEGDLHQACAOAH-UHFFFAOYSA-N 1 2 227.311 2.910 20 0 BFADLO Cc1cnc(C[N@H+](C)CCOC(C)(C)C)s1 ZINC000678521132 488264397 /nfs/dbraw/zinc/26/43/97/488264397.db2.gz REGYVTFEJZPWHM-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO Cc1cnc(C[N@@H+](C)CCOC(C)(C)C)s1 ZINC000678521132 488264398 /nfs/dbraw/zinc/26/43/98/488264398.db2.gz REGYVTFEJZPWHM-UHFFFAOYSA-N 1 2 242.388 2.698 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cnccc2C)no1 ZINC000678542551 488265064 /nfs/dbraw/zinc/26/50/64/488265064.db2.gz HFNNQAZZUOFJPN-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO c1coc(-c2cc(C[N@H+]3CC=CCC3)no2)c1 ZINC000679321539 488334472 /nfs/dbraw/zinc/33/44/72/488334472.db2.gz HNRHHCUAFFDYTO-UHFFFAOYSA-N 1 2 230.267 2.697 20 0 BFADLO c1coc(-c2cc(C[N@@H+]3CC=CCC3)no2)c1 ZINC000679321539 488334475 /nfs/dbraw/zinc/33/44/75/488334475.db2.gz HNRHHCUAFFDYTO-UHFFFAOYSA-N 1 2 230.267 2.697 20 0 BFADLO Fc1c[nH+]ccc1NCCCc1ccccc1 ZINC000678786820 488282658 /nfs/dbraw/zinc/28/26/58/488282658.db2.gz RLZYZHONUQPTTI-UHFFFAOYSA-N 1 2 230.286 2.687 20 0 BFADLO C[C@H](c1ccccn1)N(C)c1cc[nH+]cc1F ZINC000678787330 488282690 /nfs/dbraw/zinc/28/26/90/488282690.db2.gz JMILEBORNNJQJT-SNVBAGLBSA-N 1 2 231.274 2.813 20 0 BFADLO Cc1cc(C)cc(OCCOCc2[nH]cc[nH+]2)c1 ZINC000679008966 488302839 /nfs/dbraw/zinc/30/28/39/488302839.db2.gz SCBHBOSXYLUFGW-UHFFFAOYSA-N 1 2 246.310 2.622 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccccc1N(C)C ZINC000679049409 488305036 /nfs/dbraw/zinc/30/50/36/488305036.db2.gz OMXNMVPPWBQVBM-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO CCc1noc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000673712198 488305497 /nfs/dbraw/zinc/30/54/97/488305497.db2.gz XYZOUAZTZMHMED-GFCCVEGCSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1noc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000673712198 488305500 /nfs/dbraw/zinc/30/55/00/488305500.db2.gz XYZOUAZTZMHMED-GFCCVEGCSA-N 1 2 243.310 2.579 20 0 BFADLO Cc1csc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679220860 488319376 /nfs/dbraw/zinc/31/93/76/488319376.db2.gz JYIAQFVCXSSWJN-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1csc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)n1 ZINC000679220860 488319377 /nfs/dbraw/zinc/31/93/77/488319377.db2.gz JYIAQFVCXSSWJN-PSASIEDQSA-N 1 2 228.336 2.631 20 0 BFADLO c1nc(C[NH2+][C@H](c2cccnc2)C2CCC2)co1 ZINC000684611940 488332309 /nfs/dbraw/zinc/33/23/09/488332309.db2.gz NOWZVGCGJLQCQS-AWEZNQCLSA-N 1 2 243.310 2.701 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000679351109 488342947 /nfs/dbraw/zinc/34/29/47/488342947.db2.gz JDWZKURPVCKTPY-WDEREUQCSA-N 1 2 244.342 2.833 20 0 BFADLO CC(C)n1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000679358314 488345193 /nfs/dbraw/zinc/34/51/93/488345193.db2.gz GLMLCDCUVJGDCU-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cn1 ZINC000679358314 488345196 /nfs/dbraw/zinc/34/51/96/488345196.db2.gz GLMLCDCUVJGDCU-AAEUAGOBSA-N 1 2 239.338 2.644 20 0 BFADLO CCc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679362204 488346619 /nfs/dbraw/zinc/34/66/19/488346619.db2.gz XIZGNWYINLCOAQ-MWLCHTKSSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1ncc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)s1 ZINC000679362204 488346620 /nfs/dbraw/zinc/34/66/20/488346620.db2.gz XIZGNWYINLCOAQ-MWLCHTKSSA-N 1 2 242.363 2.885 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679474957 488353560 /nfs/dbraw/zinc/35/35/60/488353560.db2.gz MGGYRJHUEJQALC-GHMZBOCLSA-N 1 2 245.326 2.955 20 0 BFADLO COCC1([N@H+](C)Cc2c(F)cccc2F)CC1 ZINC000679536221 488357132 /nfs/dbraw/zinc/35/71/32/488357132.db2.gz MVHNYAGSRCXZKH-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO COCC1([N@@H+](C)Cc2c(F)cccc2F)CC1 ZINC000679536221 488357134 /nfs/dbraw/zinc/35/71/34/488357134.db2.gz MVHNYAGSRCXZKH-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO c1cnc(C[NH2+]Cc2ccc(C3CC3)cc2)nc1 ZINC000568783144 490211163 /nfs/dbraw/zinc/21/11/63/490211163.db2.gz OBXMCEZDMHFDSP-UHFFFAOYSA-N 1 2 239.322 2.644 20 0 BFADLO c1coc(C2CC[NH+](Cc3cocn3)CC2)c1 ZINC000668463167 490266318 /nfs/dbraw/zinc/26/63/18/490266318.db2.gz NECISABJRLCPII-UHFFFAOYSA-N 1 2 232.283 2.647 20 0 BFADLO Cc1cccc(C)c1NC(=O)CCc1c[nH+]c[nH]1 ZINC000074727080 490500615 /nfs/dbraw/zinc/50/06/15/490500615.db2.gz DIODVUFPUAJYCO-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cccc(C)c1NC(=O)CCc1c[nH]c[nH+]1 ZINC000074727080 490500621 /nfs/dbraw/zinc/50/06/21/490500621.db2.gz DIODVUFPUAJYCO-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO O=C(CCc1c[nH+]c[nH]1)Nc1ccccc1Cl ZINC000074727124 490501205 /nfs/dbraw/zinc/50/12/05/490501205.db2.gz CVMLBTOLGYOZBE-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO O=C(CCc1c[nH]c[nH+]1)Nc1ccccc1Cl ZINC000074727124 490501209 /nfs/dbraw/zinc/50/12/09/490501209.db2.gz CVMLBTOLGYOZBE-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cncs2)cs1 ZINC000126570847 490505183 /nfs/dbraw/zinc/50/51/83/490505183.db2.gz RWMHNFDSPZLGDY-ZETCQYMHSA-N 1 2 239.369 2.759 20 0 BFADLO CCOc1cccc(C[NH2+]Cc2ncc(C)o2)c1 ZINC000227084436 491054797 /nfs/dbraw/zinc/05/47/97/491054797.db2.gz ROZHLROIWPZKSX-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cocn2)s1 ZINC000308943532 491050482 /nfs/dbraw/zinc/05/04/82/491050482.db2.gz MYUMWZJAROMHMD-UHFFFAOYSA-N 1 2 240.353 2.748 20 0 BFADLO COc1cccc([C@H](C)[NH2+]CC(F)F)c1 ZINC000088162503 491094623 /nfs/dbraw/zinc/09/46/23/491094623.db2.gz QJABPMTZNUMFEI-QMMMGPOBSA-N 1 2 215.243 2.611 20 0 BFADLO c1csc(C[NH2+][C@H]2CCCc3cccnc32)n1 ZINC000091661293 491131278 /nfs/dbraw/zinc/13/12/78/491131278.db2.gz HKIBZVIXIYYJSE-NSHDSACASA-N 1 2 245.351 2.705 20 0 BFADLO OCC[C@@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000309630790 491153222 /nfs/dbraw/zinc/15/32/22/491153222.db2.gz KIPYKBCOYLMRBK-SNVBAGLBSA-N 1 2 249.688 2.618 20 0 BFADLO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cnsn3)C2)C1 ZINC000846847588 582668380 /nfs/dbraw/zinc/66/83/80/582668380.db2.gz ATHUDEICNBHMHY-ZYHUDNBSSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000846847588 582668382 /nfs/dbraw/zinc/66/83/82/582668382.db2.gz ATHUDEICNBHMHY-ZYHUDNBSSA-N 1 2 237.372 2.550 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000348258356 535823792 /nfs/dbraw/zinc/82/37/92/535823792.db2.gz AJPLEZYDTWESSW-XBFCOCLRSA-N 1 2 247.338 2.679 20 0 BFADLO CC(C)c1nc(N2CCC[C@H]2C)cc[nH+]1 ZINC000172810723 534907068 /nfs/dbraw/zinc/90/70/68/534907068.db2.gz COQLEZFACMXCIT-SNVBAGLBSA-N 1 2 205.305 2.589 20 0 BFADLO CC(C)c1nc(N2CC[C@@](C)(F)C2)cc[nH+]1 ZINC000335909644 534910434 /nfs/dbraw/zinc/91/04/34/534910434.db2.gz DXHRFTUUJYKADW-GFCCVEGCSA-N 1 2 223.295 2.538 20 0 BFADLO CC(C)c1nc(NC[C@H]2CCC[C@@H](O)C2)cc[nH+]1 ZINC000172763675 534912031 /nfs/dbraw/zinc/91/20/31/534912031.db2.gz AIGJQKHOTXIOBE-NWDGAFQWSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493729236 527411740 /nfs/dbraw/zinc/41/17/40/527411740.db2.gz VMCKNWGVYDRMHQ-ABZNLYFFSA-N 1 2 247.342 2.674 20 0 BFADLO CC(C)CCC[C@@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492914366 527705111 /nfs/dbraw/zinc/70/51/11/527705111.db2.gz SPNZPBHYWKPXDO-ABZNLYFFSA-N 1 2 249.358 2.754 20 0 BFADLO CC(C)CN(CC(C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493591172 527926737 /nfs/dbraw/zinc/92/67/37/527926737.db2.gz CUYPIBPUMXPFSU-AATRIKPKSA-N 1 2 249.358 2.564 20 0 BFADLO CC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCCC1 ZINC000493079548 527932820 /nfs/dbraw/zinc/93/28/20/527932820.db2.gz DFXBYCJYGLKYCX-AATRIKPKSA-N 1 2 247.342 2.510 20 0 BFADLO CCCC(C)(C)NC(=O)/C=C\c1[nH+]ccn1CC ZINC000492444448 527984622 /nfs/dbraw/zinc/98/46/22/527984622.db2.gz FOOVWENYSZIZBT-FPLPWBNLSA-N 1 2 249.358 2.611 20 0 BFADLO CCCC(C)(C)NC(=O)/C=C/c1[nH+]ccn1CC ZINC000492444446 527985344 /nfs/dbraw/zinc/98/53/44/527985344.db2.gz FOOVWENYSZIZBT-BQYQJAHWSA-N 1 2 249.358 2.611 20 0 BFADLO CCOC(=O)[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1 ZINC000300064562 528041224 /nfs/dbraw/zinc/04/12/24/528041224.db2.gz FKMJTXARGJTMAF-MRVWCRGKSA-N 1 2 247.338 2.536 20 0 BFADLO CCCCCC[C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493258066 528153332 /nfs/dbraw/zinc/15/33/32/528153332.db2.gz QEOXJGVIHDWKJY-BCPZQOPPSA-N 1 2 249.358 2.898 20 0 BFADLO CCC[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C ZINC000493770201 528167077 /nfs/dbraw/zinc/16/70/77/528167077.db2.gz IXJVQXHJACQPGK-KRZKBDHCSA-N 1 2 249.358 2.754 20 0 BFADLO CC1CCC(O)(C[N@H+](CC(F)F)C2CC2)CC1 ZINC000305201287 528202009 /nfs/dbraw/zinc/20/20/09/528202009.db2.gz MWMHCSMIOSNODN-UHFFFAOYSA-N 1 2 247.329 2.657 20 0 BFADLO CC1CCC(O)(C[N@@H+](CC(F)F)C2CC2)CC1 ZINC000305201287 528202011 /nfs/dbraw/zinc/20/20/11/528202011.db2.gz MWMHCSMIOSNODN-UHFFFAOYSA-N 1 2 247.329 2.657 20 0 BFADLO CCCCCOC1C[NH+](Cc2ccc(C)cn2)C1 ZINC000459588800 528221359 /nfs/dbraw/zinc/22/13/59/528221359.db2.gz GOOLHHOGSGHSGB-UHFFFAOYSA-N 1 2 248.370 2.781 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccc(C)cc1C)C(=O)OC ZINC000475089040 528227651 /nfs/dbraw/zinc/22/76/51/528227651.db2.gz NNJKFXPFMUPJKU-AWEZNQCLSA-N 1 2 249.354 2.735 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]CCC(C)(C)O ZINC000488172483 528253535 /nfs/dbraw/zinc/25/35/35/528253535.db2.gz BGTZCMACQJGYJK-UHFFFAOYSA-N 1 2 237.343 2.967 20 0 BFADLO CCCCOCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494268361 528591055 /nfs/dbraw/zinc/59/10/55/528591055.db2.gz OCUFAQQLRAVKOY-NSHDSACASA-N 1 2 235.318 2.780 20 0 BFADLO CCCCOCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494268361 528591058 /nfs/dbraw/zinc/59/10/58/528591058.db2.gz OCUFAQQLRAVKOY-NSHDSACASA-N 1 2 235.318 2.780 20 0 BFADLO CCC(CC)N(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1 ZINC000492769402 528767583 /nfs/dbraw/zinc/76/75/83/528767583.db2.gz PTJAXQVJIPEYLQ-YVMONPNESA-N 1 2 247.342 2.603 20 0 BFADLO CC(C)[N@H+](Cc1cnc[nH]1)Cc1cccc(F)c1 ZINC000507168064 528965847 /nfs/dbraw/zinc/96/58/47/528965847.db2.gz BBNYMBGBZOTZDO-UHFFFAOYSA-N 1 2 247.317 2.959 20 0 BFADLO CC(C)[N@@H+](Cc1cnc[nH]1)Cc1cccc(F)c1 ZINC000507168064 528965852 /nfs/dbraw/zinc/96/58/52/528965852.db2.gz BBNYMBGBZOTZDO-UHFFFAOYSA-N 1 2 247.317 2.959 20 0 BFADLO CCC[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)C1CCC1 ZINC000493478693 528967089 /nfs/dbraw/zinc/96/70/89/528967089.db2.gz HXGREHRXCINUBF-SBDDDAINSA-N 1 2 247.342 2.508 20 0 BFADLO CC1(C)CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493579901 528982066 /nfs/dbraw/zinc/98/20/66/528982066.db2.gz BQLFOQGOWPTSKJ-QRGHLMKCSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(Cl)o1 ZINC000505604232 529311154 /nfs/dbraw/zinc/31/11/54/529311154.db2.gz DWDATJWVYMXFCJ-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(Cl)o1 ZINC000505604232 529311155 /nfs/dbraw/zinc/31/11/55/529311155.db2.gz DWDATJWVYMXFCJ-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1ccc[nH+]c1N(C)C ZINC000507504358 529311332 /nfs/dbraw/zinc/31/13/32/529311332.db2.gz JBBBBAIJLOCEDU-LLVKDONJSA-N 1 2 249.358 2.912 20 0 BFADLO CC(C)(C)OC1CCN(c2cccc[nH+]2)CC1 ZINC000268282857 534969243 /nfs/dbraw/zinc/96/92/43/534969243.db2.gz RFIILNSHXQZKRV-UHFFFAOYSA-N 1 2 234.343 2.866 20 0 BFADLO CC1=C(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CCC1 ZINC000335314864 535217910 /nfs/dbraw/zinc/21/79/10/535217910.db2.gz KXKCKMSVBBKRSU-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO CCCc1ccc(C[N@H+](CC)CC(=O)OC)cc1 ZINC000343116083 535416110 /nfs/dbraw/zinc/41/61/10/535416110.db2.gz DUCJKQGIXIDISP-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCCc1ccc(C[N@@H+](CC)CC(=O)OC)cc1 ZINC000343116083 535416114 /nfs/dbraw/zinc/41/61/14/535416114.db2.gz DUCJKQGIXIDISP-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccc(CC)nc2)CCO1 ZINC000347866636 535436672 /nfs/dbraw/zinc/43/66/72/535436672.db2.gz OFNAZUCYFUBOMB-OAHLLOKOSA-N 1 2 248.370 2.645 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccc(CC)nc2)CCO1 ZINC000347866636 535436676 /nfs/dbraw/zinc/43/66/76/535436676.db2.gz OFNAZUCYFUBOMB-OAHLLOKOSA-N 1 2 248.370 2.645 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076149095 535529345 /nfs/dbraw/zinc/52/93/45/535529345.db2.gz XRPQDERNIPORRL-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@H](C)CC[C@@H]2C)no1 ZINC000076149095 535529348 /nfs/dbraw/zinc/52/93/48/535529348.db2.gz XRPQDERNIPORRL-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)on1)c1ccncc1 ZINC000347366632 535805470 /nfs/dbraw/zinc/80/54/70/535805470.db2.gz SKROMJDCNZBBJJ-CYBMUJFWSA-N 1 2 231.299 2.619 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cc(C)oc1C ZINC000335982079 536086081 /nfs/dbraw/zinc/08/60/81/536086081.db2.gz HIUXWUNDTFODIS-UHFFFAOYSA-N 1 2 244.294 2.528 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892616765 582931282 /nfs/dbraw/zinc/93/12/82/582931282.db2.gz QHSZGRDPTUVNGG-GARJFASQSA-N 1 2 222.332 2.981 20 0 BFADLO COc1ccc2c(c1)[nH+]ccc2OC[C@@H](C)OC ZINC000181663735 537019996 /nfs/dbraw/zinc/01/99/96/537019996.db2.gz FZSRGGGKTNUZND-SNVBAGLBSA-N 1 2 247.294 2.657 20 0 BFADLO Fc1ccc2[nH+]c(NCc3ccncc3)[nH]c2c1 ZINC000236190697 537941427 /nfs/dbraw/zinc/94/14/27/537941427.db2.gz ACOOMCZTQBXVOY-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000073472033 566289485 /nfs/dbraw/zinc/28/94/85/566289485.db2.gz FRWJLLDJXLRPJS-QYJAPNMZSA-N 1 2 230.311 2.765 20 0 BFADLO CC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000893870967 583236328 /nfs/dbraw/zinc/23/63/28/583236328.db2.gz IPAYUZNYPFFBDD-LBPRGKRZSA-N 1 2 221.348 2.791 20 0 BFADLO CC[C@H]1CCCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000893870967 583236330 /nfs/dbraw/zinc/23/63/30/583236330.db2.gz IPAYUZNYPFFBDD-LBPRGKRZSA-N 1 2 221.348 2.791 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCCCC[C@H]2C)c1C ZINC000894024669 583280743 /nfs/dbraw/zinc/28/07/43/583280743.db2.gz LVMSANCGVMUORT-SNVBAGLBSA-N 1 2 221.348 2.791 20 0 BFADLO CC/C=C/CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894047333 583287228 /nfs/dbraw/zinc/28/72/28/583287228.db2.gz SRNJTHRMOBRLFE-ORAHPGNNSA-N 1 2 206.289 2.513 20 0 BFADLO COc1ccc([NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC000111320496 588744034 /nfs/dbraw/zinc/74/40/34/588744034.db2.gz ZESIZBFVTUOFGF-GFCCVEGCSA-N 1 2 235.327 2.842 20 0 BFADLO NC(=[NH+]OCCC1CCC1)c1ccccc1 ZINC000853636292 588751352 /nfs/dbraw/zinc/75/13/52/588751352.db2.gz ARCPHYAPALUZGA-UHFFFAOYSA-N 1 2 218.300 2.723 20 0 BFADLO CC(C)=CCCO[NH+]=C(N)COc1ccccc1 ZINC000853645877 588752080 /nfs/dbraw/zinc/75/20/80/588752080.db2.gz LTSVPPDPNVAALT-UHFFFAOYSA-N 1 2 248.326 2.920 20 0 BFADLO CC(C)[C@@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000853655819 588752636 /nfs/dbraw/zinc/75/26/36/588752636.db2.gz OTCJQFKCGMUNJR-LLVKDONJSA-N 1 2 220.316 2.772 20 0 BFADLO Cc1nc(CC(N)=[NH+]O[C@@H](C)C(C)C)cs1 ZINC000853656601 588752829 /nfs/dbraw/zinc/75/28/29/588752829.db2.gz UBCZOZVJUHNSBG-QMMMGPOBSA-N 1 2 241.360 2.537 20 0 BFADLO COc1cc[nH+]cc1CSCCOC(F)F ZINC000853773472 588762728 /nfs/dbraw/zinc/76/27/28/588762728.db2.gz FCUGDBOMRYVVRM-UHFFFAOYSA-N 1 2 249.282 2.563 20 0 BFADLO Cc1cccc(CCSCCOC(F)F)[nH+]1 ZINC000853796135 588763682 /nfs/dbraw/zinc/76/36/82/588763682.db2.gz OWVFPEBFIZHASW-UHFFFAOYSA-N 1 2 247.310 2.905 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1C=CCC1 ZINC000853800517 588764017 /nfs/dbraw/zinc/76/40/17/588764017.db2.gz VBOWWOJLGVLOFV-LLVKDONJSA-N 1 2 245.326 2.802 20 0 BFADLO CS/C=C\c1nc(Cc2c[nH+]ccc2C)no1 ZINC000854098890 588774625 /nfs/dbraw/zinc/77/46/25/588774625.db2.gz XKXWJSJCHJLTSB-XQRVVYSFSA-N 1 2 247.323 2.698 20 0 BFADLO CCCC[C@@](C)(F)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000854594249 588796241 /nfs/dbraw/zinc/79/62/41/588796241.db2.gz HVLAYJNGXYDAMO-BXKDBHETSA-N 1 2 241.310 2.505 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)/C=C\C1CCCCC1 ZINC000855134715 588822970 /nfs/dbraw/zinc/82/29/70/588822970.db2.gz XUVFCCDUQNSXGN-FPLPWBNLSA-N 1 2 247.342 2.505 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)/C=C\C1CCCCC1 ZINC000855134715 588822971 /nfs/dbraw/zinc/82/29/71/588822971.db2.gz XUVFCCDUQNSXGN-FPLPWBNLSA-N 1 2 247.342 2.505 20 0 BFADLO CCC[C@@H](C)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845528782 582613638 /nfs/dbraw/zinc/61/36/38/582613638.db2.gz HADNMLDZZAUYGV-VXGBXAGGSA-N 1 2 238.331 2.814 20 0 BFADLO C[C@H](CCO)[NH2+]c1ccc(OCC2CC2)cc1 ZINC000779416707 582669665 /nfs/dbraw/zinc/66/96/65/582669665.db2.gz BNCZBXBPCYFZFH-LLVKDONJSA-N 1 2 235.327 2.658 20 0 BFADLO COCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891410649 582680580 /nfs/dbraw/zinc/68/05/80/582680580.db2.gz RZHMVBBBUIGIJJ-UHFFFAOYSA-N 1 2 235.331 2.501 20 0 BFADLO COCCCNc1ccc2ccc(OC)cc2[nH+]1 ZINC000891410664 582680861 /nfs/dbraw/zinc/68/08/61/582680861.db2.gz SQKVJKNNOKPJDC-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO CCNc1ccc2ccc(OC)cc2[nH+]1 ZINC000891419333 582681533 /nfs/dbraw/zinc/68/15/33/582681533.db2.gz WFBLEZBDNBKDFE-UHFFFAOYSA-N 1 2 202.257 2.675 20 0 BFADLO COC[C@H](C)Nc1cc2c(cccc2OC)c[nH+]1 ZINC000891438155 582685329 /nfs/dbraw/zinc/68/53/29/582685329.db2.gz HIDZPFGLMTWSBK-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H](C)c2ccccn2)[nH+]1 ZINC000891493858 582693217 /nfs/dbraw/zinc/69/32/17/582693217.db2.gz YOBULLOQFBYFCP-GHMZBOCLSA-N 1 2 243.310 2.703 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)cn1 ZINC000891542343 582696061 /nfs/dbraw/zinc/69/60/61/582696061.db2.gz GRVYVIDXEHHGAP-CYBMUJFWSA-N 1 2 248.370 2.501 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCO[C@H](C)C2)cn1 ZINC000891542343 582696062 /nfs/dbraw/zinc/69/60/62/582696062.db2.gz GRVYVIDXEHHGAP-CYBMUJFWSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1cc(N2C3CCC2CC3)nc(CC)[nH+]1 ZINC000891681952 582710221 /nfs/dbraw/zinc/71/02/21/582710221.db2.gz YYHNUXHGCYLKDQ-UHFFFAOYSA-N 1 2 231.343 2.733 20 0 BFADLO C[C@H](O)c1cccc(NCC2CCCC2)[nH+]1 ZINC000891754764 582716869 /nfs/dbraw/zinc/71/68/69/582716869.db2.gz QVUHGRRBYRJEOF-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO Cn1cc(C[N@H+](C)Cc2ccoc2)c(C2CC2)n1 ZINC000891780084 582719515 /nfs/dbraw/zinc/71/95/15/582719515.db2.gz SKSNFFOPMHCODA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1cc(C[N@@H+](C)Cc2ccoc2)c(C2CC2)n1 ZINC000891780084 582719517 /nfs/dbraw/zinc/71/95/17/582719517.db2.gz SKSNFFOPMHCODA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO COCCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891850332 582729871 /nfs/dbraw/zinc/72/98/71/582729871.db2.gz QJAMJUHLKGWRRZ-UHFFFAOYSA-N 1 2 249.358 2.891 20 0 BFADLO C[C@H](O)c1cccc(NC[C@H]2CC=CCC2)[nH+]1 ZINC000892035704 582768275 /nfs/dbraw/zinc/76/82/75/582768275.db2.gz LRBLTNLOEPRIJS-RYUDHWBXSA-N 1 2 232.327 2.903 20 0 BFADLO CC(C)=C(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855903271 588853246 /nfs/dbraw/zinc/85/32/46/588853246.db2.gz VSIIHMJAORZODS-UHFFFAOYSA-N 1 2 243.310 2.938 20 0 BFADLO CCC[C@H](O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000892503225 582900008 /nfs/dbraw/zinc/90/00/08/582900008.db2.gz ZUWSDFMPNPBNSS-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@H](O)c1cccc(NC[C@H]2CC2(C)C)[nH+]1 ZINC000892505347 582900772 /nfs/dbraw/zinc/90/07/72/582900772.db2.gz UKJQRQSITDDXMC-VHSXEESVSA-N 1 2 220.316 2.593 20 0 BFADLO Cc1ccc(N[C@@H]2COC3(CCC3)C2)c(C)[nH+]1 ZINC000850451716 582918845 /nfs/dbraw/zinc/91/88/45/582918845.db2.gz GQMXDGPXMUSMJO-LBPRGKRZSA-N 1 2 232.327 2.822 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2CC=CCC2)[nH+]1 ZINC000892604739 582926316 /nfs/dbraw/zinc/92/63/16/582926316.db2.gz HOEPOWCFYJKHCK-GHMZBOCLSA-N 1 2 218.300 2.656 20 0 BFADLO CSCC[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892606329 582928089 /nfs/dbraw/zinc/92/80/89/582928089.db2.gz ZZPOVCQKDIBZJU-NXEZZACHSA-N 1 2 240.372 2.688 20 0 BFADLO CCc1cc(N[C@H]2CCSC2)nc(CC)[nH+]1 ZINC000892702654 582960500 /nfs/dbraw/zinc/96/05/00/582960500.db2.gz FZCKEHNWMJKTQT-JTQLQIEISA-N 1 2 237.372 2.519 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856279949 588867035 /nfs/dbraw/zinc/86/70/35/588867035.db2.gz IEDRJCPWQURWEV-PBQZMEPESA-N 1 2 249.358 2.590 20 0 BFADLO CNc1cc(N2Cc3ccccc3[C@@H]2C)nc[nH+]1 ZINC000892769664 582978735 /nfs/dbraw/zinc/97/87/35/582978735.db2.gz COLAJJGUWVPJNZ-JTQLQIEISA-N 1 2 240.310 2.600 20 0 BFADLO CNc1cc(N2Cc3ccccc3[C@@H]2C)[nH+]cn1 ZINC000892769664 582978737 /nfs/dbraw/zinc/97/87/37/582978737.db2.gz COLAJJGUWVPJNZ-JTQLQIEISA-N 1 2 240.310 2.600 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2cnon2)CCC1 ZINC000852209183 583009484 /nfs/dbraw/zinc/00/94/84/583009484.db2.gz MLGKZVANLVMHQU-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)C2CCC2)[nH+]1 ZINC000892986103 583025814 /nfs/dbraw/zinc/02/58/14/583025814.db2.gz SVJFWZKEHPVDQB-VHSXEESVSA-N 1 2 220.316 2.735 20 0 BFADLO CCc1cc(N[C@@H]2CCO[C@@H](C)C2)nc(CC)[nH+]1 ZINC000893088398 583047581 /nfs/dbraw/zinc/04/75/81/583047581.db2.gz PADOLCXSMIHPMH-CMPLNLGQSA-N 1 2 249.358 2.581 20 0 BFADLO CCc1onc(C)c1CNc1ccc(C)[nH+]c1 ZINC000893147065 583057205 /nfs/dbraw/zinc/05/72/05/583057205.db2.gz RZOSLYSXZGAFBT-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO C[C@H]1CCN(c2nccn3c[nH+]cc23)CC1(C)C ZINC000893181149 583065151 /nfs/dbraw/zinc/06/51/51/583065151.db2.gz HRBRNNHMYIAAJY-NSHDSACASA-N 1 2 244.342 2.602 20 0 BFADLO CCc1nnc(CNc2ccc(C)[nH+]c2C)s1 ZINC000893198794 583069010 /nfs/dbraw/zinc/06/90/10/583069010.db2.gz PHSOVNUFVBIALI-UHFFFAOYSA-N 1 2 248.355 2.724 20 0 BFADLO Cc1c[nH+]cc(NCc2cn(C)nc2C2CC2)c1 ZINC000893197189 583069817 /nfs/dbraw/zinc/06/98/17/583069817.db2.gz KDIVLCMWTFXTSS-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO C[C@@H](O)c1cccc(N[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000893368882 583128577 /nfs/dbraw/zinc/12/85/77/583128577.db2.gz NTKJXXAASQAQRT-MXWKQRLJSA-N 1 2 220.316 2.735 20 0 BFADLO CCC(CC)C(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893517957 583156015 /nfs/dbraw/zinc/15/60/15/583156015.db2.gz HMVJUJAGYBPHKR-NSHDSACASA-N 1 2 236.315 2.616 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)CCC(C)C ZINC000893520450 583156170 /nfs/dbraw/zinc/15/61/70/583156170.db2.gz XHEKSHOLBNEAFV-NSHDSACASA-N 1 2 236.315 2.616 20 0 BFADLO CC/C(C)=C\C(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893527750 583157894 /nfs/dbraw/zinc/15/78/94/583157894.db2.gz GLSRWAAZUJPSNY-DVBBHNHCSA-N 1 2 234.299 2.536 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2ccco2)[nH+]1 ZINC000893902536 583242885 /nfs/dbraw/zinc/24/28/85/583242885.db2.gz BHBGZXNUZPHGDT-UHFFFAOYSA-N 1 2 233.315 2.758 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CCC2)n1 ZINC000893915754 583245898 /nfs/dbraw/zinc/24/58/98/583245898.db2.gz FAQPBADPRUPRRW-GHMZBOCLSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1n[nH]c(C[N@@H+]2CCc3sccc3C2)c1C ZINC000893918448 583247110 /nfs/dbraw/zinc/24/71/10/583247110.db2.gz KRHOOUNIEJXLLL-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1n[nH]c(C[N@H+]2CCc3sccc3C2)c1C ZINC000893918448 583247112 /nfs/dbraw/zinc/24/71/12/583247112.db2.gz KRHOOUNIEJXLLL-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(SC)o2)CCO1 ZINC000893918765 583247167 /nfs/dbraw/zinc/24/71/67/583247167.db2.gz FPGBKUJYTZSLJL-JTQLQIEISA-N 1 2 241.356 2.612 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(SC)o2)CCO1 ZINC000893918765 583247169 /nfs/dbraw/zinc/24/71/69/583247169.db2.gz FPGBKUJYTZSLJL-JTQLQIEISA-N 1 2 241.356 2.612 20 0 BFADLO C[C@H](O)c1cccc(NCC2CC(F)(F)C2)[nH+]1 ZINC000893945207 583258077 /nfs/dbraw/zinc/25/80/77/583258077.db2.gz DWSOTMXJSBSQHA-QMMMGPOBSA-N 1 2 242.269 2.592 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000893952522 583261136 /nfs/dbraw/zinc/26/11/36/583261136.db2.gz KCOVUOMYZZWPTO-NXEZZACHSA-N 1 2 241.356 2.611 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000893952522 583261137 /nfs/dbraw/zinc/26/11/37/583261137.db2.gz KCOVUOMYZZWPTO-NXEZZACHSA-N 1 2 241.356 2.611 20 0 BFADLO Cc1ncoc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000894019282 583273486 /nfs/dbraw/zinc/27/34/86/583273486.db2.gz JVSFZLNPAOSJPV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncoc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000894019282 583273487 /nfs/dbraw/zinc/27/34/87/583273487.db2.gz JVSFZLNPAOSJPV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1C ZINC000894020198 583274437 /nfs/dbraw/zinc/27/44/37/583274437.db2.gz FYKJPMSXEAABJJ-LBPRGKRZSA-N 1 2 245.326 2.609 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@H](c3ccco3)C2)c1C ZINC000894020198 583274440 /nfs/dbraw/zinc/27/44/40/583274440.db2.gz FYKJPMSXEAABJJ-LBPRGKRZSA-N 1 2 245.326 2.609 20 0 BFADLO Cc1ncoc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000894021165 583274576 /nfs/dbraw/zinc/27/45/76/583274576.db2.gz PPNFVVVSVSAZNK-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncoc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000894021165 583274577 /nfs/dbraw/zinc/27/45/77/583274577.db2.gz PPNFVVVSVSAZNK-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1C ZINC000894034648 583278189 /nfs/dbraw/zinc/27/81/89/583278189.db2.gz UBWXNCYSUWWLNT-NXEZZACHSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1C ZINC000894034648 583278191 /nfs/dbraw/zinc/27/81/91/583278191.db2.gz UBWXNCYSUWWLNT-NXEZZACHSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1C ZINC000894034650 583278944 /nfs/dbraw/zinc/27/89/44/583278944.db2.gz UBWXNCYSUWWLNT-VHSXEESVSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1C ZINC000894034650 583278946 /nfs/dbraw/zinc/27/89/46/583278946.db2.gz UBWXNCYSUWWLNT-VHSXEESVSA-N 1 2 221.348 2.504 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCCCC[C@@H]2C)c1C ZINC000894024668 583280702 /nfs/dbraw/zinc/28/07/02/583280702.db2.gz LVMSANCGVMUORT-JTQLQIEISA-N 1 2 221.348 2.791 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCCCC[C@@H]2C)c1C ZINC000894024668 583280706 /nfs/dbraw/zinc/28/07/06/583280706.db2.gz LVMSANCGVMUORT-JTQLQIEISA-N 1 2 221.348 2.791 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCCCC[C@H]2C)c1C ZINC000894024669 583280741 /nfs/dbraw/zinc/28/07/41/583280741.db2.gz LVMSANCGVMUORT-SNVBAGLBSA-N 1 2 221.348 2.791 20 0 BFADLO CC/C=C\CNc1cccc([C@H](C)O)[nH+]1 ZINC000894047332 583287427 /nfs/dbraw/zinc/28/74/27/583287427.db2.gz SRNJTHRMOBRLFE-LWTINBJPSA-N 1 2 206.289 2.513 20 0 BFADLO c1[nH+]cn2ccnc(N3CCCCCCCC3)c12 ZINC000894088399 583298875 /nfs/dbraw/zinc/29/88/75/583298875.db2.gz FNMBTFCTFQPABT-UHFFFAOYSA-N 1 2 244.342 2.890 20 0 BFADLO CC[C@@H]1CC[C@H](C)N(c2nccn3c[nH+]cc23)C1 ZINC000894114408 583309390 /nfs/dbraw/zinc/30/93/90/583309390.db2.gz ODORGGDDUCCJHB-NWDGAFQWSA-N 1 2 244.342 2.744 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000894158011 583321222 /nfs/dbraw/zinc/32/12/22/583321222.db2.gz AMSFPERXELVLNB-NQBHXWOUSA-N 1 2 234.343 2.981 20 0 BFADLO C[C@H](O)c1cccc(N2CC(C)(C)C[C@@H]2C)[nH+]1 ZINC000894206094 583347703 /nfs/dbraw/zinc/34/77/03/583347703.db2.gz SMSZPBJMXXRNPL-QWRGUYRKSA-N 1 2 234.343 2.760 20 0 BFADLO C[C@@H](O)c1cccc(N2CC(C)(C)C[C@@H]2C)[nH+]1 ZINC000894206100 583348008 /nfs/dbraw/zinc/34/80/08/583348008.db2.gz SMSZPBJMXXRNPL-WDEREUQCSA-N 1 2 234.343 2.760 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000878002824 583357551 /nfs/dbraw/zinc/35/75/51/583357551.db2.gz LLYBIVJVSYJWIF-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1conc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000878002824 583357554 /nfs/dbraw/zinc/35/75/54/583357554.db2.gz LLYBIVJVSYJWIF-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2ocnc2C)s1 ZINC000894322634 583422211 /nfs/dbraw/zinc/42/22/11/583422211.db2.gz AMPLWECNLJHTHZ-SECBINFHSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1ncoc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000894422247 583457634 /nfs/dbraw/zinc/45/76/34/583457634.db2.gz IPORDHRGGRIYTR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ncoc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000894422247 583457636 /nfs/dbraw/zinc/45/76/36/583457636.db2.gz IPORDHRGGRIYTR-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)cnc1F ZINC000894513039 583475561 /nfs/dbraw/zinc/47/55/61/583475561.db2.gz ATTYLSJPYQXMDQ-SNVBAGLBSA-N 1 2 244.260 2.807 20 0 BFADLO CC[C@H](Nc1cccc([C@H](C)O)[nH+]1)C1CC1 ZINC000894573201 583486774 /nfs/dbraw/zinc/48/67/74/583486774.db2.gz VJPVAHMDSOMETK-ONGXEEELSA-N 1 2 220.316 2.735 20 0 BFADLO Cc1scc(CN(C)Cc2[nH]cc[nH+]2)c1C ZINC000894586361 583488877 /nfs/dbraw/zinc/48/88/77/583488877.db2.gz CRCCOVYDOJMLJH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2ncc[nH]2)c1C ZINC000894586361 583488878 /nfs/dbraw/zinc/48/88/78/583488878.db2.gz CRCCOVYDOJMLJH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2ncc[nH]2)c1C ZINC000894586361 583488879 /nfs/dbraw/zinc/48/88/79/583488879.db2.gz CRCCOVYDOJMLJH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Oc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1F ZINC000894713083 583511526 /nfs/dbraw/zinc/51/15/26/583511526.db2.gz USVRXWVNMBWNTI-UHFFFAOYSA-N 1 2 249.207 2.525 20 0 BFADLO CCc1[nH]nc(Cl)c1C[NH+]1CC(C)(CC)C1 ZINC000894838587 583529263 /nfs/dbraw/zinc/52/92/63/583529263.db2.gz DLWMIKZZTIKXIZ-UHFFFAOYSA-N 1 2 241.766 2.857 20 0 BFADLO CCC1(C)C[NH+](Cc2nnc(C3CC3)s2)C1 ZINC000894838563 583529404 /nfs/dbraw/zinc/52/94/04/583529404.db2.gz CFLJMMXRECVZCW-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1c[nH]cn1 ZINC000880375583 583530028 /nfs/dbraw/zinc/53/00/28/583530028.db2.gz GWRLPEKXMYSREW-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1c[nH]cn1 ZINC000880375583 583530030 /nfs/dbraw/zinc/53/00/30/583530030.db2.gz GWRLPEKXMYSREW-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2sccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000880375583 583530032 /nfs/dbraw/zinc/53/00/32/583530032.db2.gz GWRLPEKXMYSREW-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO C[C@H]1c2sccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000880375583 583530034 /nfs/dbraw/zinc/53/00/34/583530034.db2.gz GWRLPEKXMYSREW-VIFPVBQESA-N 1 2 233.340 2.591 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ocnc1C ZINC000894849562 583532005 /nfs/dbraw/zinc/53/20/05/583532005.db2.gz QDTMNMJRJAUVOM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ocnc1C ZINC000894849562 583532007 /nfs/dbraw/zinc/53/20/07/583532007.db2.gz QDTMNMJRJAUVOM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2F)[C@H]1C ZINC000894860513 583534076 /nfs/dbraw/zinc/53/40/76/583534076.db2.gz PONRGHIYQSXOGT-YUMQZZPRSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccnc(Cl)c2F)[C@H]1C ZINC000894860513 583534073 /nfs/dbraw/zinc/53/40/73/583534073.db2.gz PONRGHIYQSXOGT-YUMQZZPRSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(Cl)cs2)[C@H]1C ZINC000894860484 583534335 /nfs/dbraw/zinc/53/43/35/583534335.db2.gz NUOUDUQWZWYBPV-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)cs2)[C@H]1C ZINC000894860484 583534338 /nfs/dbraw/zinc/53/43/38/583534338.db2.gz NUOUDUQWZWYBPV-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO c1nc(CNc2ccc(C3CCC3)c[nH+]2)c[nH]1 ZINC000894864898 583536672 /nfs/dbraw/zinc/53/66/72/583536672.db2.gz LFDIEVYLEYSKFE-UHFFFAOYSA-N 1 2 228.299 2.684 20 0 BFADLO CC(C)c1c[nH]c(CN2CCC[C@](C)(F)C2)[nH+]1 ZINC000894869185 583538949 /nfs/dbraw/zinc/53/89/49/583538949.db2.gz PCDIWEURTCTYTB-ZDUSSCGKSA-N 1 2 239.338 2.857 20 0 BFADLO Cc1occc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894890118 583547994 /nfs/dbraw/zinc/54/79/94/583547994.db2.gz FATBALJLZJKMQX-UHFFFAOYSA-N 1 2 219.206 2.582 20 0 BFADLO CCc1cccc(N(C)Cc2c[nH+]c[nH]2)c1 ZINC000894970015 583560434 /nfs/dbraw/zinc/56/04/34/583560434.db2.gz QIUHACDRLOIGTH-UHFFFAOYSA-N 1 2 215.300 2.609 20 0 BFADLO CCc1cccc(N(C)Cc2c[nH]c[nH+]2)c1 ZINC000894970015 583560435 /nfs/dbraw/zinc/56/04/35/583560435.db2.gz QIUHACDRLOIGTH-UHFFFAOYSA-N 1 2 215.300 2.609 20 0 BFADLO Cc1ncoc1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000894979887 583563284 /nfs/dbraw/zinc/56/32/84/583563284.db2.gz DXUPCDNDTVTLRF-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)c1cnccn1 ZINC000895141780 583603278 /nfs/dbraw/zinc/60/32/78/583603278.db2.gz FWICNKONHFMFOJ-JTQLQIEISA-N 1 2 228.299 2.607 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC[C@H]3C[C@H]3C2)c1C ZINC000882519377 583619682 /nfs/dbraw/zinc/61/96/82/583619682.db2.gz VSYRARLDOYBRMG-SDDRHHMPSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1C ZINC000882519375 583619894 /nfs/dbraw/zinc/61/98/94/583619894.db2.gz VSYRARLDOYBRMG-IJLUTSLNSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H](F)C2)sc1C ZINC000895190814 583620225 /nfs/dbraw/zinc/62/02/25/583620225.db2.gz BRJCHCMFMDMITQ-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H](F)C2)sc1C ZINC000895190814 583620227 /nfs/dbraw/zinc/62/02/27/583620227.db2.gz BRJCHCMFMDMITQ-SNVBAGLBSA-N 1 2 228.336 2.694 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895192315 583621682 /nfs/dbraw/zinc/62/16/82/583621682.db2.gz ZBNAVYPVXXCBEB-GFCCVEGCSA-N 1 2 237.322 2.542 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895192315 583621683 /nfs/dbraw/zinc/62/16/83/583621683.db2.gz ZBNAVYPVXXCBEB-GFCCVEGCSA-N 1 2 237.322 2.542 20 0 BFADLO COC(=O)[C@](C)(CCF)[NH2+]CCCCC(C)C ZINC000895397597 583665120 /nfs/dbraw/zinc/66/51/20/583665120.db2.gz QLHQJWWGYOZYAJ-ZDUSSCGKSA-N 1 2 247.354 2.694 20 0 BFADLO C[C@H](O)c1cccc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)[nH+]1 ZINC000895425393 583668078 /nfs/dbraw/zinc/66/80/78/583668078.db2.gz HJBSSGJPLCMJHM-WUHRBBMRSA-N 1 2 246.354 2.983 20 0 BFADLO Cc1ccc(CCCN2CC[C@H]2C(F)F)c[nH+]1 ZINC000895430057 583669551 /nfs/dbraw/zinc/66/95/51/583669551.db2.gz AQZLCRFKJJAGJI-LBPRGKRZSA-N 1 2 240.297 2.662 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1CCCC1CCOCC1 ZINC000895430141 583669564 /nfs/dbraw/zinc/66/95/64/583669564.db2.gz CEWITUGLWXAKTC-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1CCCC1CCOCC1 ZINC000895430141 583669566 /nfs/dbraw/zinc/66/95/66/583669566.db2.gz CEWITUGLWXAKTC-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCCC1 ZINC000895430566 583669639 /nfs/dbraw/zinc/66/96/39/583669639.db2.gz GRWWJCQBAXCQOM-MNOVXSKESA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCCC1 ZINC000895430566 583669642 /nfs/dbraw/zinc/66/96/42/583669642.db2.gz GRWWJCQBAXCQOM-MNOVXSKESA-N 1 2 233.302 2.531 20 0 BFADLO Cc1coc(C[NH+]2CC(OC(C)(C)C)C2)c1 ZINC000895468325 583678568 /nfs/dbraw/zinc/67/85/68/583678568.db2.gz SRJSTDMEIZNIAW-UHFFFAOYSA-N 1 2 223.316 2.587 20 0 BFADLO Clc1ccc2c(n1)[C@H]([NH2+]Cc1cocn1)CC2 ZINC000857909495 588923672 /nfs/dbraw/zinc/92/36/72/588923672.db2.gz SCNLZTPSPBWVEC-SNVBAGLBSA-N 1 2 249.701 2.500 20 0 BFADLO CCc1cc(NC(C)(C)/C=C/Cl)nc[nH+]1 ZINC000895915620 583746441 /nfs/dbraw/zinc/74/64/41/583746441.db2.gz DSXUQYZLJUFHPM-AATRIKPKSA-N 1 2 225.723 2.982 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857977813 588926960 /nfs/dbraw/zinc/92/69/60/588926960.db2.gz ZSJCBETUAPFEQV-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO C[NH+](C)C1(c2nc(CC3CCCCC3)no2)CC1 ZINC000896050127 583766074 /nfs/dbraw/zinc/76/60/74/583766074.db2.gz XKGOHCYMZDVGPK-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)CC(C)(C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857981724 588927931 /nfs/dbraw/zinc/92/79/31/588927931.db2.gz AWBICPUJXJZEAK-LLVKDONJSA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)c1noc(C2([NH+](C)C)CC2)n1 ZINC000896082612 583769966 /nfs/dbraw/zinc/76/99/66/583769966.db2.gz PQPOURRNKJHQLT-UHFFFAOYSA-N 1 2 223.320 2.524 20 0 BFADLO FC(F)(F)[C@@H]1C[C@H]1CNc1cccc[nH+]1 ZINC000896094263 583771634 /nfs/dbraw/zinc/77/16/34/583771634.db2.gz XGWZTVUBJVDSJV-JGVFFNPUSA-N 1 2 216.206 2.692 20 0 BFADLO Cc1cc(NC[C@@H]2CCCC3(CCC3)O2)nc[nH+]1 ZINC000896167954 583778283 /nfs/dbraw/zinc/77/82/83/583778283.db2.gz MICAGHWNIIEXBS-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO CCC[C@@H](O)CCNc1cc[nH+]c(C(C)C)n1 ZINC000896187729 583781670 /nfs/dbraw/zinc/78/16/70/583781670.db2.gz SKUFOZYIEHRRTF-LLVKDONJSA-N 1 2 237.347 2.563 20 0 BFADLO Cc1nc(N[C@H]2CCCc3cccnc32)cc[nH+]1 ZINC000896419414 583801804 /nfs/dbraw/zinc/80/18/04/583801804.db2.gz LSWVISCJDHOLGG-LBPRGKRZSA-N 1 2 240.310 2.670 20 0 BFADLO Cc1nc(NCC[C@@H]2CCC(C)(C)CO2)cc[nH+]1 ZINC000896791247 583834217 /nfs/dbraw/zinc/83/42/17/583834217.db2.gz XPPGTUSNNVAEFR-LBPRGKRZSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000795712108 583835121 /nfs/dbraw/zinc/83/51/21/583835121.db2.gz ZERPPTJUBQZQEJ-ZDUSSCGKSA-N 1 2 247.338 2.521 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1 ZINC000795712108 583835122 /nfs/dbraw/zinc/83/51/22/583835122.db2.gz ZERPPTJUBQZQEJ-ZDUSSCGKSA-N 1 2 247.338 2.521 20 0 BFADLO C[C@]12CN(c3cc[nH+]cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000896899780 583850146 /nfs/dbraw/zinc/85/01/46/583850146.db2.gz ZJPOYOCXMBVCPH-OZTPJHRESA-N 1 2 244.313 2.869 20 0 BFADLO Cc1nc(N[C@@H]2CCOC23CCCCC3)cc[nH+]1 ZINC000896990034 583866879 /nfs/dbraw/zinc/86/68/79/583866879.db2.gz GMDOWNVHAFHQPO-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO CO[C@H]1CC[C@@H]1N(C)c1[nH+]ccc2ccccc21 ZINC000897142844 583884085 /nfs/dbraw/zinc/88/40/85/583884085.db2.gz TZSXTNIBEOXSFI-KBPBESRZSA-N 1 2 242.322 2.848 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]c1 ZINC000897177183 583889723 /nfs/dbraw/zinc/88/97/23/583889723.db2.gz KVLACMMLVFCUFX-YRRQLQLVSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@H](O)c1ccc(N[C@@H]2C[C@@H]3CCC[C@H]23)[nH+]c1 ZINC000897177182 583890059 /nfs/dbraw/zinc/89/00/59/583890059.db2.gz KVLACMMLVFCUFX-XRRVDJEJSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]3CCC[C@H]32)[nH+]1 ZINC000897177507 583890523 /nfs/dbraw/zinc/89/05/23/583890523.db2.gz QMGFOYUGDYBCBQ-SBFPOUOMSA-N 1 2 232.327 2.735 20 0 BFADLO OCCC1CC(Nc2ccc3ccccc3[nH+]2)C1 ZINC000897232664 583898508 /nfs/dbraw/zinc/89/85/08/583898508.db2.gz ZLBOHXRZSCOHAX-UHFFFAOYSA-N 1 2 242.322 2.808 20 0 BFADLO Cc1cccc2c1CC[N@H+](Cc1ccon1)C2 ZINC000740876973 583978121 /nfs/dbraw/zinc/97/81/21/583978121.db2.gz RAZPOGOGERCTNL-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1CC[N@@H+](Cc1ccon1)C2 ZINC000740876973 583978122 /nfs/dbraw/zinc/97/81/22/583978122.db2.gz RAZPOGOGERCTNL-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO C[C@H]1COCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858457587 588956712 /nfs/dbraw/zinc/95/67/12/588956712.db2.gz RDWVAAOJBURHDN-GFCCVEGCSA-N 1 2 242.322 2.708 20 0 BFADLO C[C@@H]1COCCN(c2[nH+]ccc3ccccc32)C1 ZINC000858457589 588956840 /nfs/dbraw/zinc/95/68/40/588956840.db2.gz RDWVAAOJBURHDN-LBPRGKRZSA-N 1 2 242.322 2.708 20 0 BFADLO CC(C)c1nc(NCC[C@H]2CCCO2)cc[nH+]1 ZINC000730106831 584123466 /nfs/dbraw/zinc/12/34/66/584123466.db2.gz LDJUWSCDVGDKBA-LLVKDONJSA-N 1 2 235.331 2.581 20 0 BFADLO CCCc1ccccc1NC(=O)Cc1c[nH+]c[nH]1 ZINC000900170336 584282292 /nfs/dbraw/zinc/28/22/92/584282292.db2.gz ILCVOPSQAUDVSM-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CCCc1ccccc1NC(=O)Cc1c[nH]c[nH+]1 ZINC000900170336 584282293 /nfs/dbraw/zinc/28/22/93/584282293.db2.gz ILCVOPSQAUDVSM-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)c1nc(N[C@H]2CO[C@@H](C3CC3)C2)cc[nH+]1 ZINC000858809905 588977087 /nfs/dbraw/zinc/97/70/87/588977087.db2.gz TUDKOCNIIWELNJ-VXGBXAGGSA-N 1 2 247.342 2.579 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000116386872 588979057 /nfs/dbraw/zinc/97/90/57/588979057.db2.gz XQDJZDDABLVGCX-TZMCWYRMSA-N 1 2 249.354 2.549 20 0 BFADLO CCCCC[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000901118365 584386286 /nfs/dbraw/zinc/38/62/86/584386286.db2.gz NUOAENZIXJVISK-ZDUSSCGKSA-N 1 2 249.358 2.524 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)cc2C)c1 ZINC000902077429 584520342 /nfs/dbraw/zinc/52/03/42/584520342.db2.gz ULEIVYBNSDOYEY-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1cc2[nH+]cn(Cc3nncs3)c2cc1C ZINC000902154208 584531519 /nfs/dbraw/zinc/53/15/19/584531519.db2.gz RVWNWLQCTDIBQV-UHFFFAOYSA-N 1 2 244.323 2.553 20 0 BFADLO CCOc1ccc(CNc2cc(F)cc[nH+]2)o1 ZINC000902156818 584531798 /nfs/dbraw/zinc/53/17/98/584531798.db2.gz MCEJIXBNTZMMJV-UHFFFAOYSA-N 1 2 236.246 2.825 20 0 BFADLO Cc1cc(NCc2cccc3c2CCC3)nc[nH+]1 ZINC000902196107 584536790 /nfs/dbraw/zinc/53/67/90/584536790.db2.gz QNHCYJMLZWSIBO-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO CCn1cnc(C[NH2+]Cc2c(C)cccc2F)c1 ZINC000902278543 584550676 /nfs/dbraw/zinc/55/06/76/584550676.db2.gz FVVWKXGKYQIJRK-UHFFFAOYSA-N 1 2 247.317 2.640 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OC1CC2(CCC2)C1 ZINC000902339666 584557165 /nfs/dbraw/zinc/55/71/65/584557165.db2.gz BZXYBTGJTDGQRP-UHFFFAOYSA-N 1 2 240.347 2.633 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(OC)cc2C)c1 ZINC000902347178 584559480 /nfs/dbraw/zinc/55/94/80/584559480.db2.gz LSEBVPOVADUWFZ-UHFFFAOYSA-N 1 2 245.326 2.832 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(OC)c2F)c1 ZINC000902484627 584624650 /nfs/dbraw/zinc/62/46/50/584624650.db2.gz GNGVOMPMUGCEDN-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO COC/C(C)=C\COc1ccc2c(c1)[nH+]cn2C ZINC000902781118 584670457 /nfs/dbraw/zinc/67/04/57/584670457.db2.gz FVNDDCGHYYRIKN-WDZFZDKYSA-N 1 2 246.310 2.545 20 0 BFADLO Fc1cccc(F)c1CC[N@H+]1CCC[C@H](F)C1 ZINC000902993724 584711492 /nfs/dbraw/zinc/71/14/92/584711492.db2.gz WOFDZRPCGOXENR-JTQLQIEISA-N 1 2 243.272 2.941 20 0 BFADLO Fc1cccc(F)c1CC[N@@H+]1CCC[C@H](F)C1 ZINC000902993724 584711493 /nfs/dbraw/zinc/71/14/93/584711493.db2.gz WOFDZRPCGOXENR-JTQLQIEISA-N 1 2 243.272 2.941 20 0 BFADLO CO[C@H]1CCC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000903139519 584730880 /nfs/dbraw/zinc/73/08/80/584730880.db2.gz MFYNKKZTYAULLJ-MNOVXSKESA-N 1 2 238.356 2.783 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000903219756 584737772 /nfs/dbraw/zinc/73/77/72/584737772.db2.gz JUFDSXCPCHFGEW-CHWSQXEVSA-N 1 2 220.316 2.678 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cncs1 ZINC000903309334 584747817 /nfs/dbraw/zinc/74/78/17/584747817.db2.gz DLWCHOGTMIHZKE-GUBZILKMSA-N 1 2 248.355 2.696 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ncco1 ZINC000903312173 584748184 /nfs/dbraw/zinc/74/81/84/584748184.db2.gz UAZXTVCCVPRRFD-JGVFFNPUSA-N 1 2 223.301 2.543 20 0 BFADLO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ncc[nH]1 ZINC000903336450 584751398 /nfs/dbraw/zinc/75/13/98/584751398.db2.gz YNPPBJJRZMAISJ-GWCFXTLKSA-N 1 2 242.326 2.607 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc(C2=CCCC2)n1 ZINC000904269381 584858565 /nfs/dbraw/zinc/85/85/65/584858565.db2.gz DKRQOPGDMJHIBY-UHFFFAOYSA-N 1 2 242.282 2.590 20 0 BFADLO Cc1cnc(C[NH2+]Cc2c(C)cccc2F)o1 ZINC000877067613 584889529 /nfs/dbraw/zinc/88/95/29/584889529.db2.gz HFPKESCZNDHZIK-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO Cc1cc(N[C@@H](C)COc2ccccc2)nc[nH+]1 ZINC000732920457 584941739 /nfs/dbraw/zinc/94/17/39/584941739.db2.gz USZUZJSHFHNCLC-LBPRGKRZSA-N 1 2 243.310 2.664 20 0 BFADLO CCc1cc(NCc2ccc(Cl)nc2)nc[nH+]1 ZINC000733188379 584945148 /nfs/dbraw/zinc/94/51/48/584945148.db2.gz PLPCSFAZHKZCDU-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H]1C=CCCC1 ZINC000733444756 584949077 /nfs/dbraw/zinc/94/90/77/584949077.db2.gz GQBNPXLBVGARET-LLVKDONJSA-N 1 2 246.310 2.697 20 0 BFADLO C[C@H]1C[C@H](C)C[NH+](CC(F)(F)C(F)F)C1 ZINC000733896461 584954688 /nfs/dbraw/zinc/95/46/88/584954688.db2.gz DSBGUPZRSRWLMR-YUMQZZPRSA-N 1 2 227.245 2.865 20 0 BFADLO CC[N@H+](Cc1nonc1C)Cc1ccc(C)cc1 ZINC000734146812 584957391 /nfs/dbraw/zinc/95/73/91/584957391.db2.gz JBCCIRBDALQRMC-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1nonc1C)Cc1ccc(C)cc1 ZINC000734146812 584957392 /nfs/dbraw/zinc/95/73/92/584957392.db2.gz JBCCIRBDALQRMC-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC(C)(C)/C=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000735055361 584972345 /nfs/dbraw/zinc/97/23/45/584972345.db2.gz YPHXBFCIUWMFEN-VOTSOKGWSA-N 1 2 243.310 2.875 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000735956435 584984524 /nfs/dbraw/zinc/98/45/24/584984524.db2.gz QOKUJSLLTXANOV-ZDUSSCGKSA-N 1 2 249.354 2.850 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000735956435 584984525 /nfs/dbraw/zinc/98/45/25/584984525.db2.gz QOKUJSLLTXANOV-ZDUSSCGKSA-N 1 2 249.354 2.850 20 0 BFADLO CC1(C)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736619184 585007419 /nfs/dbraw/zinc/00/74/19/585007419.db2.gz IQWAAMFAWBDMEM-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO CC1(C)CCC[N@H+]1CC(F)(F)C(F)F ZINC000736619184 585007420 /nfs/dbraw/zinc/00/74/20/585007420.db2.gz IQWAAMFAWBDMEM-UHFFFAOYSA-N 1 2 213.218 2.761 20 0 BFADLO CC(C)[C@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736621791 585008074 /nfs/dbraw/zinc/00/80/74/585008074.db2.gz QMRXHDHVYZWPCT-ZETCQYMHSA-N 1 2 215.234 2.863 20 0 BFADLO CC(C)[C@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736621791 585008075 /nfs/dbraw/zinc/00/80/75/585008075.db2.gz QMRXHDHVYZWPCT-ZETCQYMHSA-N 1 2 215.234 2.863 20 0 BFADLO CC[C@@H](C)C[N@H+](C)CC(F)(F)C(F)F ZINC000736622260 585008119 /nfs/dbraw/zinc/00/81/19/585008119.db2.gz OVOFEUCRSGISFI-SSDOTTSWSA-N 1 2 215.234 2.865 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)CC(F)(F)C(F)F ZINC000736622260 585008120 /nfs/dbraw/zinc/00/81/20/585008120.db2.gz OVOFEUCRSGISFI-SSDOTTSWSA-N 1 2 215.234 2.865 20 0 BFADLO COc1c(C)c[nH+]c(COC(=O)CC2CC2)c1C ZINC000736777482 585013308 /nfs/dbraw/zinc/01/33/08/585013308.db2.gz MPVHGNUTUITMNT-UHFFFAOYSA-N 1 2 249.310 2.550 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccnc(F)c2)n1 ZINC000859195890 589017948 /nfs/dbraw/zinc/01/79/48/589017948.db2.gz YUUVOCVWHRDOGA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccnc(F)c2)n1 ZINC000859195890 589017950 /nfs/dbraw/zinc/01/79/50/589017950.db2.gz YUUVOCVWHRDOGA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C/C=C\C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000737837306 585038578 /nfs/dbraw/zinc/03/85/78/585038578.db2.gz VXHICMJSUXEIOF-RQOWECAXSA-N 1 2 227.267 2.591 20 0 BFADLO CC=CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000737837306 585038579 /nfs/dbraw/zinc/03/85/79/585038579.db2.gz VXHICMJSUXEIOF-RQOWECAXSA-N 1 2 227.267 2.591 20 0 BFADLO CCC/C=C/C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838951929 585080772 /nfs/dbraw/zinc/08/07/72/585080772.db2.gz CHJOQJOCUBDIOJ-RMKNXTFCSA-N 1 2 248.326 2.547 20 0 BFADLO Cc1cc(C[NH2+]Cc2c(C)cccc2F)no1 ZINC000838968551 585082852 /nfs/dbraw/zinc/08/28/52/585082852.db2.gz PKONOUGKCISXEK-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000741773280 585117983 /nfs/dbraw/zinc/11/79/83/585117983.db2.gz LPEDLZXWJFXMPD-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CCCOC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000741773280 585117984 /nfs/dbraw/zinc/11/79/84/585117984.db2.gz LPEDLZXWJFXMPD-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO C[N@H+](Cn1sc2ccccc2c1=O)C1CCC1 ZINC000742169292 585122426 /nfs/dbraw/zinc/12/24/26/585122426.db2.gz DCKRABVHIJCTIO-UHFFFAOYSA-N 1 2 248.351 2.505 20 0 BFADLO C[N@@H+](Cn1sc2ccccc2c1=O)C1CCC1 ZINC000742169292 585122427 /nfs/dbraw/zinc/12/24/27/585122427.db2.gz DCKRABVHIJCTIO-UHFFFAOYSA-N 1 2 248.351 2.505 20 0 BFADLO Cc1cc(NCc2c(C)cccc2F)nc[nH+]1 ZINC000742419947 585125937 /nfs/dbraw/zinc/12/59/37/585125937.db2.gz WYHCEPQGHCCNDY-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CC(=CC(=O)Nc1cc[nH+]c(C)c1)C(C)(C)C ZINC000742664011 585129708 /nfs/dbraw/zinc/12/97/08/585129708.db2.gz BMGHSFYVLSXSLM-CSKARUKUSA-N 1 2 232.327 2.743 20 0 BFADLO CCn1ccnc1SCc1c[nH+]ccc1OC ZINC000804905289 585150807 /nfs/dbraw/zinc/15/08/07/585150807.db2.gz OMPHYZNEROXZLE-UHFFFAOYSA-N 1 2 249.339 2.599 20 0 BFADLO COc1ccc(Cl)cc1C[N@H+](C)CCF ZINC000746499232 585168745 /nfs/dbraw/zinc/16/87/45/585168745.db2.gz HXHJPQIMJJZLKV-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO COc1ccc(Cl)cc1C[N@@H+](C)CCF ZINC000746499232 585168746 /nfs/dbraw/zinc/16/87/46/585168746.db2.gz HXHJPQIMJJZLKV-UHFFFAOYSA-N 1 2 231.698 2.750 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1CN1CCSC1=O ZINC000747463927 585179078 /nfs/dbraw/zinc/17/90/78/585179078.db2.gz RWXIARMYRDKBQS-SNVBAGLBSA-N 1 2 248.351 2.690 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1CN1CCSC1=O ZINC000747463927 585179079 /nfs/dbraw/zinc/17/90/79/585179079.db2.gz RWXIARMYRDKBQS-SNVBAGLBSA-N 1 2 248.351 2.690 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)OCc1c[nH+]cn1C ZINC000747785027 585184403 /nfs/dbraw/zinc/18/44/03/585184403.db2.gz YJWTVHBECMPABK-LLVKDONJSA-N 1 2 238.331 2.536 20 0 BFADLO Fc1cccc(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000747848696 585185085 /nfs/dbraw/zinc/18/50/85/585185085.db2.gz YCZBTHCGCKDCOP-UHFFFAOYSA-N 1 2 244.273 2.500 20 0 BFADLO CCCCOC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000749114792 585199590 /nfs/dbraw/zinc/19/95/90/585199590.db2.gz PAGQNISQIFGUBE-CQSZACIVSA-N 1 2 247.338 2.777 20 0 BFADLO CCCCOC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000749114792 585199591 /nfs/dbraw/zinc/19/95/91/585199591.db2.gz PAGQNISQIFGUBE-CQSZACIVSA-N 1 2 247.338 2.777 20 0 BFADLO C/C=C\C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000752460210 585246227 /nfs/dbraw/zinc/24/62/27/585246227.db2.gz IZNDVDZAVIRSSV-WAYWQWQTSA-N 1 2 234.299 2.774 20 0 BFADLO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000752923235 585251249 /nfs/dbraw/zinc/25/12/49/585251249.db2.gz AUCOGISUYLJKRW-ZJUUUORDSA-N 1 2 248.330 2.762 20 0 BFADLO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccoc2)[nH]1 ZINC000752923234 585251327 /nfs/dbraw/zinc/25/13/27/585251327.db2.gz AUCOGISUYLJKRW-VHSXEESVSA-N 1 2 248.330 2.762 20 0 BFADLO FC1CC2(C1)C[NH+](Cc1ccc(Cl)nc1)C2 ZINC000753863118 585271262 /nfs/dbraw/zinc/27/12/62/585271262.db2.gz UMKGIKAHYFPWRE-UHFFFAOYSA-N 1 2 240.709 2.669 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@H]2C)cc1NC(C)=O ZINC000754129427 585278996 /nfs/dbraw/zinc/27/89/96/585278996.db2.gz QBFZVFNNRHYNBT-MWLCHTKSSA-N 1 2 248.326 2.722 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000754131039 585279087 /nfs/dbraw/zinc/27/90/87/585279087.db2.gz UBQDBBNUHRMNQF-TYNCELHUSA-N 1 2 247.338 2.922 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000754131036 585279110 /nfs/dbraw/zinc/27/91/10/585279110.db2.gz UBQDBBNUHRMNQF-LALPHHSUSA-N 1 2 247.338 2.922 20 0 BFADLO CCCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000754276593 585281819 /nfs/dbraw/zinc/28/18/19/585281819.db2.gz OSJAISWHSSYFEB-UHFFFAOYSA-N 1 2 226.707 2.987 20 0 BFADLO Clc1cc2c(nc[nH+]c2N2CCCCC2)[nH]1 ZINC000754674217 585289102 /nfs/dbraw/zinc/28/91/02/585289102.db2.gz XUZVHAQFEDIHOK-UHFFFAOYSA-N 1 2 236.706 2.553 20 0 BFADLO CCC/C=C\C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755884321 585309162 /nfs/dbraw/zinc/30/91/62/585309162.db2.gz HYWMSKYTQJPKND-SREVYHEPSA-N 1 2 248.326 2.547 20 0 BFADLO CCC/C=C/C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755884324 585309214 /nfs/dbraw/zinc/30/92/14/585309214.db2.gz HYWMSKYTQJPKND-VOTSOKGWSA-N 1 2 248.326 2.547 20 0 BFADLO c1cc2[nH+]ccc(NCCC3CCC3)c2cn1 ZINC000756135968 585315044 /nfs/dbraw/zinc/31/50/44/585315044.db2.gz BGFRDEYLLMWLKZ-UHFFFAOYSA-N 1 2 227.311 2.654 20 0 BFADLO CC[C@@H](C)COC(=O)c1ccc2[nH+]ccn2c1 ZINC000756410368 585319613 /nfs/dbraw/zinc/31/96/13/585319613.db2.gz KFEVPDSVSDVABF-SNVBAGLBSA-N 1 2 232.283 2.537 20 0 BFADLO CC1=CC[N@H+](Cc2cnc(Cl)s2)CC1 ZINC000756641782 585322045 /nfs/dbraw/zinc/32/20/45/585322045.db2.gz XBQPMXOGVZIHHV-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CC[N@@H+](Cc2cnc(Cl)s2)CC1 ZINC000756641782 585322046 /nfs/dbraw/zinc/32/20/46/585322046.db2.gz XBQPMXOGVZIHHV-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ncc(Cl)n1C ZINC000839661480 585334157 /nfs/dbraw/zinc/33/41/57/585334157.db2.gz WKRBAGANEFUOQB-SECBINFHSA-N 1 2 241.766 2.694 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncc(Cl)n1C ZINC000839661480 585334158 /nfs/dbraw/zinc/33/41/58/585334158.db2.gz WKRBAGANEFUOQB-SECBINFHSA-N 1 2 241.766 2.694 20 0 BFADLO NC(Cc1cccs1)=[NH+]OC1CCCC1 ZINC000758762531 585359792 /nfs/dbraw/zinc/35/97/92/585359792.db2.gz RQPFWGHRWYQBCX-UHFFFAOYSA-N 1 2 224.329 2.732 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)CC2(C)CC2)c1 ZINC000758830454 585360399 /nfs/dbraw/zinc/36/03/99/585360399.db2.gz GCKXIGBCPPYPIT-UHFFFAOYSA-N 1 2 249.310 2.632 20 0 BFADLO COCC[N@H+](CCF)[C@H](C)c1ccccc1F ZINC000759330110 585367936 /nfs/dbraw/zinc/36/79/36/585367936.db2.gz DFDIRJLMTMSYHH-LLVKDONJSA-N 1 2 243.297 2.805 20 0 BFADLO COCC[N@@H+](CCF)[C@H](C)c1ccccc1F ZINC000759330110 585367937 /nfs/dbraw/zinc/36/79/37/585367937.db2.gz DFDIRJLMTMSYHH-LLVKDONJSA-N 1 2 243.297 2.805 20 0 BFADLO COCC[N@H+](CCF)Cc1ccccc1Cl ZINC000759330349 585368025 /nfs/dbraw/zinc/36/80/25/585368025.db2.gz KPACVLTZGABEED-UHFFFAOYSA-N 1 2 245.725 2.758 20 0 BFADLO COCC[N@@H+](CCF)Cc1ccccc1Cl ZINC000759330349 585368026 /nfs/dbraw/zinc/36/80/26/585368026.db2.gz KPACVLTZGABEED-UHFFFAOYSA-N 1 2 245.725 2.758 20 0 BFADLO O=C(C[C@@H]1CCC[N@H+]1CCF)c1cccs1 ZINC000759344486 585369516 /nfs/dbraw/zinc/36/95/16/585369516.db2.gz IJPJSCAXGISPPE-JTQLQIEISA-N 1 2 241.331 2.755 20 0 BFADLO O=C(C[C@@H]1CCC[N@@H+]1CCF)c1cccs1 ZINC000759344486 585369517 /nfs/dbraw/zinc/36/95/17/585369517.db2.gz IJPJSCAXGISPPE-JTQLQIEISA-N 1 2 241.331 2.755 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000761045488 585404078 /nfs/dbraw/zinc/40/40/78/585404078.db2.gz QHRPLPNJHFRQQM-QMMMGPOBSA-N 1 2 248.248 2.621 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C2)o1 ZINC000761045488 585404079 /nfs/dbraw/zinc/40/40/79/585404079.db2.gz QHRPLPNJHFRQQM-QMMMGPOBSA-N 1 2 248.248 2.621 20 0 BFADLO FC(F)(F)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000761046274 585404174 /nfs/dbraw/zinc/40/41/74/585404174.db2.gz SJSIIRJKQVHTLB-SSDOTTSWSA-N 1 2 236.262 2.527 20 0 BFADLO FC(F)(F)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000761046274 585404175 /nfs/dbraw/zinc/40/41/75/585404175.db2.gz SJSIIRJKQVHTLB-SSDOTTSWSA-N 1 2 236.262 2.527 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C[C@H](CC)c1ccccc1 ZINC000763271628 585445582 /nfs/dbraw/zinc/44/55/82/585445582.db2.gz LVSKSFSHMFJVLM-STQMWFEESA-N 1 2 249.354 2.721 20 0 BFADLO CC[N@@H+](C/C(Cl)=C\Cl)C[C@@H]1CCCO1 ZINC000763553260 585450570 /nfs/dbraw/zinc/45/05/70/585450570.db2.gz KZNHCRAQNBTMRK-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CC[N@H+](C/C(Cl)=C\Cl)C[C@@H]1CCCO1 ZINC000763553260 585450571 /nfs/dbraw/zinc/45/05/71/585450571.db2.gz KZNHCRAQNBTMRK-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO COc1cc(C)c([NH2+]CCC2(O)CC2)cc1C ZINC000766797431 585508330 /nfs/dbraw/zinc/50/83/30/585508330.db2.gz KWPVNIRHHJEJRD-UHFFFAOYSA-N 1 2 235.327 2.639 20 0 BFADLO COc1cc[nH+]cc1COC(=O)c1ccsc1 ZINC000805349845 585522595 /nfs/dbraw/zinc/52/25/95/585522595.db2.gz FQDZOLKMJMUDGZ-UHFFFAOYSA-N 1 2 249.291 2.509 20 0 BFADLO c1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)co1 ZINC000768238625 585534448 /nfs/dbraw/zinc/53/44/48/585534448.db2.gz RRRUEQKBTRNTLQ-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO c1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)co1 ZINC000768238625 585534449 /nfs/dbraw/zinc/53/44/49/585534449.db2.gz RRRUEQKBTRNTLQ-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO c1cc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)co1 ZINC000769503320 585558329 /nfs/dbraw/zinc/55/83/29/585558329.db2.gz GJSLVEXYAKGLKA-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO c1cc(C[N@H+]2CCOC[C@@H]2c2ccccc2)co1 ZINC000769503320 585558330 /nfs/dbraw/zinc/55/83/30/585558330.db2.gz GJSLVEXYAKGLKA-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO COC1CC(Nc2ccc3c(c2)CCC[N@H+]3C)C1 ZINC000769543567 585559327 /nfs/dbraw/zinc/55/93/27/585559327.db2.gz NBUPCDZXCQLXDY-UHFFFAOYSA-N 1 2 246.354 2.658 20 0 BFADLO COC1CC(Nc2ccc3c(c2)CCC[N@@H+]3C)C1 ZINC000769543567 585559328 /nfs/dbraw/zinc/55/93/28/585559328.db2.gz NBUPCDZXCQLXDY-UHFFFAOYSA-N 1 2 246.354 2.658 20 0 BFADLO COC1CC([NH2+]c2ccc3c(c2)CCCN3C)C1 ZINC000769543567 585559329 /nfs/dbraw/zinc/55/93/29/585559329.db2.gz NBUPCDZXCQLXDY-UHFFFAOYSA-N 1 2 246.354 2.658 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C[C@H](C)C1CC1 ZINC000805427034 585592410 /nfs/dbraw/zinc/59/24/10/585592410.db2.gz YIUBQMUVCKSJHH-JTQLQIEISA-N 1 2 249.310 2.570 20 0 BFADLO COc1cc[nH+]cc1COC(=O)/C=C/C(C)(C)C ZINC000805451022 585600131 /nfs/dbraw/zinc/60/01/31/585600131.db2.gz XFBIKUMJJOJXIL-FNORWQNLSA-N 1 2 249.310 2.736 20 0 BFADLO NC(Cc1ccccc1)=[NH+]OCC1CCCC1 ZINC000771866248 585602876 /nfs/dbraw/zinc/60/28/76/585602876.db2.gz SZLKPAJKBJKYIQ-UHFFFAOYSA-N 1 2 232.327 2.918 20 0 BFADLO Cc1ccoc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000771909245 585604361 /nfs/dbraw/zinc/60/43/61/585604361.db2.gz CAWBVRABOOXIOI-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO Cc1ccc(COC(=O)C2CC=CC2)c(C)[nH+]1 ZINC000772140299 585609090 /nfs/dbraw/zinc/60/90/90/585609090.db2.gz DFJCHGCGDFJYLU-UHFFFAOYSA-N 1 2 231.295 2.708 20 0 BFADLO Cc1ccc(COC(=O)CC2CCC2)c(C)[nH+]1 ZINC000772166619 585609445 /nfs/dbraw/zinc/60/94/45/585609445.db2.gz OSIJQBAAYWBBCP-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000774913295 585669190 /nfs/dbraw/zinc/66/91/90/585669190.db2.gz RXLGXAHNLYVNPS-SNVBAGLBSA-N 1 2 219.275 2.655 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCC=CO1 ZINC000774913295 585669191 /nfs/dbraw/zinc/66/91/91/585669191.db2.gz RXLGXAHNLYVNPS-SNVBAGLBSA-N 1 2 219.275 2.655 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C1CC(C)(C)C1 ZINC000805571211 585701778 /nfs/dbraw/zinc/70/17/78/585701778.db2.gz ZIOPDKPUZGNONM-UHFFFAOYSA-N 1 2 249.310 2.570 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)CCO2)C1CCOCC1 ZINC000777035910 585707325 /nfs/dbraw/zinc/70/73/25/585707325.db2.gz AMKPAZWCBGPVKT-NSHDSACASA-N 1 2 247.338 2.849 20 0 BFADLO O=C(C=C1CCCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777452589 585712353 /nfs/dbraw/zinc/71/23/53/585712353.db2.gz HZTGWYNUPIIXAH-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000777602339 585716744 /nfs/dbraw/zinc/71/67/44/585716744.db2.gz LIQZVKBATIADLW-LBPRGKRZSA-N 1 2 248.370 2.980 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)C1CCOCC1 ZINC000777602339 585716745 /nfs/dbraw/zinc/71/67/45/585716745.db2.gz LIQZVKBATIADLW-LBPRGKRZSA-N 1 2 248.370 2.980 20 0 BFADLO CCSCCO[NH+]=C(N)Cc1cccs1 ZINC000778028723 585725298 /nfs/dbraw/zinc/72/52/98/585725298.db2.gz PBCJYPQWEOMKJZ-UHFFFAOYSA-N 1 2 244.385 2.542 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccnc2Cl)C[C@@H]1F ZINC000778229974 585728414 /nfs/dbraw/zinc/72/84/14/585728414.db2.gz AQHSYFYDPYESPK-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccnc2Cl)C[C@@H]1F ZINC000778229974 585728415 /nfs/dbraw/zinc/72/84/15/585728415.db2.gz AQHSYFYDPYESPK-KOLCDFICSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@H]1F ZINC000778233364 585729004 /nfs/dbraw/zinc/72/90/04/585729004.db2.gz FOZCYJLXCWELTI-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@H]1F ZINC000778233364 585729005 /nfs/dbraw/zinc/72/90/05/585729005.db2.gz FOZCYJLXCWELTI-GXSJLCMTSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]1F ZINC000779149656 585745730 /nfs/dbraw/zinc/74/57/30/585745730.db2.gz NVPTYULHRIOONS-WDEREUQCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]1F ZINC000779149656 585745731 /nfs/dbraw/zinc/74/57/31/585745731.db2.gz NVPTYULHRIOONS-WDEREUQCSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]1F ZINC000779149649 585745874 /nfs/dbraw/zinc/74/58/74/585745874.db2.gz NVPTYULHRIOONS-GHMZBOCLSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]1F ZINC000779149649 585745875 /nfs/dbraw/zinc/74/58/75/585745875.db2.gz NVPTYULHRIOONS-GHMZBOCLSA-N 1 2 247.317 2.743 20 0 BFADLO C[C@@H](CCO)[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000779423513 585754988 /nfs/dbraw/zinc/75/49/88/585754988.db2.gz PRZSZUXUSOMHFZ-VIFPVBQESA-N 1 2 242.750 2.589 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCC[C@@H](C)C1 ZINC000781612585 585800401 /nfs/dbraw/zinc/80/04/01/585800401.db2.gz LHHKMOIYKSICCY-VXGBXAGGSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)(C)CC[NH2+]c1ccc(OCCO)cc1 ZINC000783583116 585836422 /nfs/dbraw/zinc/83/64/22/585836422.db2.gz FIBNHEOCGPZUMF-UHFFFAOYSA-N 1 2 237.343 2.906 20 0 BFADLO CC(C)(C)CCO[NH+]=C(N)c1ccccc1 ZINC000783550220 585836473 /nfs/dbraw/zinc/83/64/73/585836473.db2.gz FEUMQRMUUXWJEA-UHFFFAOYSA-N 1 2 220.316 2.969 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCC(C)(C)C ZINC000783558946 585837046 /nfs/dbraw/zinc/83/70/46/585837046.db2.gz HZDAKMCNXBNNFD-NSHDSACASA-N 1 2 244.379 2.982 20 0 BFADLO CC(C(=O)OCCCn1cc[nH+]c1)=C1CCCC1 ZINC000784069356 585848490 /nfs/dbraw/zinc/84/84/90/585848490.db2.gz IEFZRPJHRRVEKL-UHFFFAOYSA-N 1 2 248.326 2.707 20 0 BFADLO C[C@@H]1CC/C(=C\C(=O)OCCCn2cc[nH+]c2)C1 ZINC000784071243 585848551 /nfs/dbraw/zinc/84/85/51/585848551.db2.gz QPYRXQIALDBLEZ-GMCKNXKJSA-N 1 2 248.326 2.563 20 0 BFADLO CC[C@H](NC(=O)C(C)=C1CCCC1)c1[nH]cc[nH+]1 ZINC000785421780 585873384 /nfs/dbraw/zinc/87/33/84/585873384.db2.gz SMNLQHHCHFVTOG-LBPRGKRZSA-N 1 2 247.342 2.868 20 0 BFADLO C[C@@H]([NH2+]c1ccc(OCCO)cc1)[C@H]1CC1(C)C ZINC000785492330 585874396 /nfs/dbraw/zinc/87/43/96/585874396.db2.gz FADRKVZNWRBLOT-BXUZGUMPSA-N 1 2 249.354 2.904 20 0 BFADLO CCCC(C)(C)CC(=O)OCCn1cc[nH+]c1 ZINC000787088624 585900915 /nfs/dbraw/zinc/90/09/15/585900915.db2.gz RRLNLXLTFUCKPY-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000787266795 585904141 /nfs/dbraw/zinc/90/41/41/585904141.db2.gz GPDHNIGATUIATD-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000787266795 585904142 /nfs/dbraw/zinc/90/41/42/585904142.db2.gz GPDHNIGATUIATD-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO CC1(C)CC([NH2+]c2ccc(OCCO)cc2)C1 ZINC000788596025 585927487 /nfs/dbraw/zinc/92/74/87/585927487.db2.gz OSVLAXDTLLKJJI-UHFFFAOYSA-N 1 2 235.327 2.658 20 0 BFADLO COc1ccc(-c2cn3c([nH+]2)CCC3)cc1OC ZINC000788866843 585931557 /nfs/dbraw/zinc/93/15/57/585931557.db2.gz HUERAQBGBWHBMG-UHFFFAOYSA-N 1 2 244.294 2.514 20 0 BFADLO Fc1ccccc1-c1cn2c([nH+]1)CCC2 ZINC000788867986 585931565 /nfs/dbraw/zinc/93/15/65/585931565.db2.gz UQZUQJGILJKEOV-UHFFFAOYSA-N 1 2 202.232 2.635 20 0 BFADLO c1c(-c2ccc3c(c2)CCC3)[nH+]c2n1CCC2 ZINC000788867121 585931693 /nfs/dbraw/zinc/93/16/93/585931693.db2.gz KOFFZIOJMYTIHC-UHFFFAOYSA-N 1 2 224.307 2.985 20 0 BFADLO C/C=C(/CC)C(=O)OCc1cccc2[nH+]ccn21 ZINC000789400812 585942218 /nfs/dbraw/zinc/94/22/18/585942218.db2.gz UJWGVDCXWAWOFP-JYOAFUTRSA-N 1 2 244.294 2.734 20 0 BFADLO CC(C)CO[C@@H](C)C(N)=[NH+]OCCCCCF ZINC000789594580 585945328 /nfs/dbraw/zinc/94/53/28/585945328.db2.gz FFRUMCLDFSQJTR-NSHDSACASA-N 1 2 248.342 2.686 20 0 BFADLO CC[C@H](C)CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000790807426 585969007 /nfs/dbraw/zinc/96/90/07/585969007.db2.gz FNFFCVGHUSRFNY-JTQLQIEISA-N 1 2 249.358 2.831 20 0 BFADLO COc1ncc(C[NH+]2[C@H](C)C[C@H]2C)cc1Cl ZINC000791575085 585984310 /nfs/dbraw/zinc/98/43/10/585984310.db2.gz AFMNTDCATRISSR-RKDXNWHRSA-N 1 2 240.734 2.726 20 0 BFADLO CC1(C)CC[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000792118854 585995967 /nfs/dbraw/zinc/99/59/67/585995967.db2.gz FHQMOMPZIORRNM-NSHDSACASA-N 1 2 248.326 2.533 20 0 BFADLO Nc1cc(COC(=O)C2=CCCCCC2)cc[nH+]1 ZINC000792152432 585996724 /nfs/dbraw/zinc/99/67/24/585996724.db2.gz RBXKKIZTIXZZBH-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C[N@@H+]1CCCc2cc(NCC3(F)CC3)ccc21 ZINC000793050417 586009071 /nfs/dbraw/zinc/00/90/71/586009071.db2.gz HJEFCLSJXQGMID-UHFFFAOYSA-N 1 2 234.318 2.983 20 0 BFADLO C[N@H+]1CCCc2cc(NCC3(F)CC3)ccc21 ZINC000793050417 586009072 /nfs/dbraw/zinc/00/90/72/586009072.db2.gz HJEFCLSJXQGMID-UHFFFAOYSA-N 1 2 234.318 2.983 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1coc(C2CC2)n1 ZINC000793219858 586014356 /nfs/dbraw/zinc/01/43/56/586014356.db2.gz HNECYVGUZSLLPV-DTORHVGOSA-N 1 2 206.289 2.535 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1coc(C2CC2)n1 ZINC000793219858 586014357 /nfs/dbraw/zinc/01/43/57/586014357.db2.gz HNECYVGUZSLLPV-DTORHVGOSA-N 1 2 206.289 2.535 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1coc(C2CC2)n1 ZINC000793219860 586014488 /nfs/dbraw/zinc/01/44/88/586014488.db2.gz HNECYVGUZSLLPV-RKDXNWHRSA-N 1 2 206.289 2.535 20 0 BFADLO Cc1cc(-c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000793381280 586017955 /nfs/dbraw/zinc/01/79/55/586017955.db2.gz NYBSSKRNJRMSDV-UHFFFAOYSA-N 1 2 227.263 2.828 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cn1nc(C(F)(F)F)cc1C ZINC000793811292 586026931 /nfs/dbraw/zinc/02/69/31/586026931.db2.gz UNMFBYDONSEPMY-SECBINFHSA-N 1 2 247.264 2.652 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cn1nc(C(F)(F)F)cc1C ZINC000793811292 586026932 /nfs/dbraw/zinc/02/69/32/586026932.db2.gz UNMFBYDONSEPMY-SECBINFHSA-N 1 2 247.264 2.652 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cn1sc2ccccc2c1=O ZINC000793818424 586027060 /nfs/dbraw/zinc/02/70/60/586027060.db2.gz DTVINHBXMGBVPW-SNVBAGLBSA-N 1 2 248.351 2.505 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cn1sc2ccccc2c1=O ZINC000793818424 586027061 /nfs/dbraw/zinc/02/70/61/586027061.db2.gz DTVINHBXMGBVPW-SNVBAGLBSA-N 1 2 248.351 2.505 20 0 BFADLO C1=C([C@@H]2Cc3ccccc32)N2CC[NH+]=C2S1 ZINC000793992172 586029761 /nfs/dbraw/zinc/02/97/61/586029761.db2.gz NQWNXNCQCRCSIG-LLVKDONJSA-N 1 2 228.320 2.586 20 0 BFADLO C[C@H]1CCSCC[N@@H+]1CC(F)(F)C(F)F ZINC000794570195 586044244 /nfs/dbraw/zinc/04/42/44/586044244.db2.gz GUYRWQNBXWFDDM-ZETCQYMHSA-N 1 2 245.285 2.714 20 0 BFADLO C[C@H]1CCSCC[N@H+]1CC(F)(F)C(F)F ZINC000794570195 586044245 /nfs/dbraw/zinc/04/42/45/586044245.db2.gz GUYRWQNBXWFDDM-ZETCQYMHSA-N 1 2 245.285 2.714 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2F)o1 ZINC000794829936 586049875 /nfs/dbraw/zinc/04/98/75/586049875.db2.gz UPWHTCFSAJXUQF-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO CC1(C[NH2+]c2ccc3c(c2)CC(C)(C)O3)COC1 ZINC000796336012 586101046 /nfs/dbraw/zinc/10/10/46/586101046.db2.gz ZGQNOZZKPPGDKP-UHFFFAOYSA-N 1 2 247.338 2.849 20 0 BFADLO CC1(C)CC(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000796384579 586102297 /nfs/dbraw/zinc/10/22/97/586102297.db2.gz MDDRWKOODXAQEM-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000796438873 586103322 /nfs/dbraw/zinc/10/33/22/586103322.db2.gz FNEZYQJOVIUILP-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc[nH]2)Cc2ccccc21 ZINC000796438873 586103323 /nfs/dbraw/zinc/10/33/23/586103323.db2.gz FNEZYQJOVIUILP-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000796589162 586107882 /nfs/dbraw/zinc/10/78/82/586107882.db2.gz DOACPVSZRJYXTA-UHFFFAOYSA-N 1 2 249.358 2.909 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nnc(C(C)(C)C)o2)CC1 ZINC000796589162 586107883 /nfs/dbraw/zinc/10/78/83/586107883.db2.gz DOACPVSZRJYXTA-UHFFFAOYSA-N 1 2 249.358 2.909 20 0 BFADLO CCOCc1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000798228651 586141344 /nfs/dbraw/zinc/14/13/44/586141344.db2.gz QRIBXLNDANXICW-UHFFFAOYSA-N 1 2 245.326 2.569 20 0 BFADLO CC(C)C[C@@H](C)CO[NH+]=C(N)Cc1cccnc1 ZINC000799175528 586165185 /nfs/dbraw/zinc/16/51/85/586165185.db2.gz CRDCAPVPHBQYIU-GFCCVEGCSA-N 1 2 249.358 2.805 20 0 BFADLO CC[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000799200314 586167789 /nfs/dbraw/zinc/16/77/89/586167789.db2.gz HGBBTIMAUFFKOS-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000799200314 586167790 /nfs/dbraw/zinc/16/77/90/586167790.db2.gz HGBBTIMAUFFKOS-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@H]1C[N@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000799200315 586168059 /nfs/dbraw/zinc/16/80/59/586168059.db2.gz HGBBTIMAUFFKOS-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000799200315 586168060 /nfs/dbraw/zinc/16/80/60/586168060.db2.gz HGBBTIMAUFFKOS-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO COc1ccc([NH2+][C@H]2CCC23CCC3)cc1CO ZINC000800488894 586222725 /nfs/dbraw/zinc/22/27/25/586222725.db2.gz PGLCECYUYXUJPP-AWEZNQCLSA-N 1 2 247.338 2.932 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000800533860 586224504 /nfs/dbraw/zinc/22/45/04/586224504.db2.gz TXNPPZWEPGLKPW-GHMZBOCLSA-N 1 2 231.286 2.799 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1C[C@H]1CCC=CO1 ZINC000800533860 586224507 /nfs/dbraw/zinc/22/45/07/586224507.db2.gz TXNPPZWEPGLKPW-GHMZBOCLSA-N 1 2 231.286 2.799 20 0 BFADLO CC[NH2+]Cc1noc([C@@H](C)CC2CCCC2)n1 ZINC000843145226 586444631 /nfs/dbraw/zinc/44/46/31/586444631.db2.gz XWEIFWRUXYRIAS-JTQLQIEISA-N 1 2 237.347 2.863 20 0 BFADLO CSCc1cccc(NCc2cn(C)c[nH+]2)c1 ZINC000808397627 586471326 /nfs/dbraw/zinc/47/13/26/586471326.db2.gz HBKRXOQNCAGKNJ-UHFFFAOYSA-N 1 2 247.367 2.895 20 0 BFADLO CCC[N@H+](CCC(=O)C(C)C)CC(F)F ZINC000808717616 586483865 /nfs/dbraw/zinc/48/38/65/586483865.db2.gz GMOYFOLEVPVDOI-UHFFFAOYSA-N 1 2 221.291 2.579 20 0 BFADLO CCC[N@@H+](CCC(=O)C(C)C)CC(F)F ZINC000808717616 586483866 /nfs/dbraw/zinc/48/38/66/586483866.db2.gz GMOYFOLEVPVDOI-UHFFFAOYSA-N 1 2 221.291 2.579 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+]1Cc2ccncc2C1 ZINC000809565226 586507296 /nfs/dbraw/zinc/50/72/96/586507296.db2.gz YPAQUIIWGJAPBV-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+]1Cc2ccncc2C1 ZINC000809565226 586507297 /nfs/dbraw/zinc/50/72/97/586507297.db2.gz YPAQUIIWGJAPBV-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714151 586514656 /nfs/dbraw/zinc/51/46/56/586514656.db2.gz AAQSBOYAYBYZFI-RISCZKNCSA-N 1 2 235.327 2.658 20 0 BFADLO CC[C@@H]([NH2+]Cc1nonc1C)c1ccccc1F ZINC000809744150 586515791 /nfs/dbraw/zinc/51/57/91/586515791.db2.gz XIWYEWLJJWDFGW-GFCCVEGCSA-N 1 2 249.289 2.758 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OCCCO)cc2)[C@H]1C ZINC000814169310 586615199 /nfs/dbraw/zinc/61/51/99/586615199.db2.gz DTZUMPIPJNEFNA-TYNCELHUSA-N 1 2 249.354 2.904 20 0 BFADLO NC(Cc1ccc(Cl)cc1)=[NH+]OC1CCC1 ZINC000814265408 586621028 /nfs/dbraw/zinc/62/10/28/586621028.db2.gz SAMPXTREDNTIJP-UHFFFAOYSA-N 1 2 238.718 2.933 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)[C@H]1C ZINC000816648391 586750057 /nfs/dbraw/zinc/75/00/57/586750057.db2.gz JXFCYFYBFKPURS-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)[C@H]1C ZINC000816648391 586750058 /nfs/dbraw/zinc/75/00/58/586750058.db2.gz JXFCYFYBFKPURS-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000816648208 586750955 /nfs/dbraw/zinc/75/09/55/586750955.db2.gz GRWADQQZXXZJMV-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@H]1C ZINC000816648208 586750957 /nfs/dbraw/zinc/75/09/57/586750957.db2.gz GRWADQQZXXZJMV-SFYZADRCSA-N 1 2 229.245 2.944 20 0 BFADLO CC[C@H](C)C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000817813766 586829193 /nfs/dbraw/zinc/82/91/93/586829193.db2.gz LNRXGQSYNAVNIM-NSHDSACASA-N 1 2 246.310 2.732 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCOC1=O)c1cc(C)ccc1C ZINC000859935824 589071572 /nfs/dbraw/zinc/07/15/72/589071572.db2.gz ZJJVGONGWLEJJR-KBPBESRZSA-N 1 2 247.338 2.660 20 0 BFADLO CCCC[C@H](CC)CC(=O)NC1=[NH+]CCS1 ZINC000117119945 589075190 /nfs/dbraw/zinc/07/51/90/589075190.db2.gz NVNSLQKBARCOJE-JTQLQIEISA-N 1 2 242.388 2.812 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccns2)o1 ZINC000860058601 589077802 /nfs/dbraw/zinc/07/78/02/589077802.db2.gz NLWCCDTXPDYZAC-RKDXNWHRSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccns1 ZINC000860058389 589077899 /nfs/dbraw/zinc/07/78/99/589077899.db2.gz LGAXHWIFMAFOMA-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO CC(C)(C)/C=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000819599747 586980476 /nfs/dbraw/zinc/98/04/76/586980476.db2.gz AGIPBLUAWGGIBJ-GQCTYLIASA-N 1 2 243.310 2.875 20 0 BFADLO CCCC[C@H](CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819763386 586991224 /nfs/dbraw/zinc/99/12/24/586991224.db2.gz BNSTXOWZLZBTBX-ZJUUUORDSA-N 1 2 242.388 2.810 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819778581 586993287 /nfs/dbraw/zinc/99/32/87/586993287.db2.gz ZQZTWTDDESCPHE-DTWKUNHWSA-N 1 2 242.388 2.666 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000819986870 587010916 /nfs/dbraw/zinc/01/09/16/587010916.db2.gz JEKFWKOWHTYGCN-LLVKDONJSA-N 1 2 234.343 2.831 20 0 BFADLO C[C@H]1CCCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000820930557 587082079 /nfs/dbraw/zinc/08/20/79/587082079.db2.gz BNHZXBPKITWPJU-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000820930563 587082350 /nfs/dbraw/zinc/08/23/50/587082350.db2.gz BNHZXBPKITWPJU-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2C=CCC2)c(C)[nH+]1 ZINC000821826592 587140799 /nfs/dbraw/zinc/14/07/99/587140799.db2.gz UZYGNORTKOXGOG-LLVKDONJSA-N 1 2 231.299 2.539 20 0 BFADLO C/C=C(/C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822310910 587161880 /nfs/dbraw/zinc/16/18/80/587161880.db2.gz GPAJDMFEHNJBER-TWGQIWQCSA-N 1 2 236.315 2.717 20 0 BFADLO C[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(F)F ZINC000822606032 587177570 /nfs/dbraw/zinc/17/75/70/587177570.db2.gz HSAILUUVYVGVOL-ZCFIWIBFSA-N 1 2 232.101 2.767 20 0 BFADLO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC(F)F ZINC000822606032 587177571 /nfs/dbraw/zinc/17/75/71/587177571.db2.gz HSAILUUVYVGVOL-ZCFIWIBFSA-N 1 2 232.101 2.767 20 0 BFADLO Cc1cc(CNC(=O)[C@@]2(C)C=CCC2)cc(C)[nH+]1 ZINC000823058076 587200050 /nfs/dbraw/zinc/20/00/50/587200050.db2.gz XYJDAAFUHMJZPE-HNNXBMFYSA-N 1 2 244.338 2.671 20 0 BFADLO CCCCC1(C(=O)NC2=[NH+]C[C@@H](C)S2)CC1 ZINC000823304839 587215689 /nfs/dbraw/zinc/21/56/89/587215689.db2.gz ADGSEVXWMIRCLQ-SECBINFHSA-N 1 2 240.372 2.564 20 0 BFADLO CCC[C@H](CC)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000823390913 587219393 /nfs/dbraw/zinc/21/93/93/587219393.db2.gz PAPCPJFNWORYII-WOPDTQHZSA-N 1 2 249.358 2.831 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CSC(F)F ZINC000823836097 587241635 /nfs/dbraw/zinc/24/16/35/587241635.db2.gz CECGCBLMXFCIOM-UHFFFAOYSA-N 1 2 246.282 2.593 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)COC1(C)CCC1 ZINC000823837066 587242260 /nfs/dbraw/zinc/24/22/60/587242260.db2.gz WTYYGXGQGJOXJY-UHFFFAOYSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1cc(C[N@H+]2CCO[C@H](C(F)F)C2)cs1 ZINC000824344203 587266648 /nfs/dbraw/zinc/26/66/48/587266648.db2.gz FUNJVLSTXSRIIU-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO Cc1cc(C[N@@H+]2CCO[C@H](C(F)F)C2)cs1 ZINC000824344203 587266646 /nfs/dbraw/zinc/26/66/46/587266646.db2.gz FUNJVLSTXSRIIU-JTQLQIEISA-N 1 2 247.310 2.522 20 0 BFADLO Brc1ccoc1C[NH+]1CC2(CC2)C1 ZINC000824533240 587273724 /nfs/dbraw/zinc/27/37/24/587273724.db2.gz CFKWMFQLYHNZJF-UHFFFAOYSA-N 1 2 242.116 2.638 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000824554835 587275829 /nfs/dbraw/zinc/27/58/29/587275829.db2.gz NIYHBYATVSDHAC-UHFFFAOYSA-N 1 2 224.254 2.565 20 0 BFADLO FCC(CF)[NH2+]Cc1cnc2ccccc2c1 ZINC000824554868 587276036 /nfs/dbraw/zinc/27/60/36/587276036.db2.gz OOCJRWKPTUQSBW-UHFFFAOYSA-N 1 2 236.265 2.632 20 0 BFADLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccoc2)CC1(C)C ZINC000824620614 587279629 /nfs/dbraw/zinc/27/96/29/587279629.db2.gz WGCJQRCOPUMDAQ-LBPRGKRZSA-N 1 2 245.326 2.596 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccc(C)c2F)co1 ZINC000825062125 587301700 /nfs/dbraw/zinc/30/17/00/587301700.db2.gz PMHQIWOBPXPQIS-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2ccoc2)o1 ZINC000825085411 587303086 /nfs/dbraw/zinc/30/30/86/587303086.db2.gz KKMDCFFUROEIJT-UHFFFAOYSA-N 1 2 220.272 2.510 20 0 BFADLO COc1cccnc1C[NH2+]Cc1cc(C)oc1C ZINC000825249367 587310799 /nfs/dbraw/zinc/31/07/99/587310799.db2.gz DQKMGBCNSKRSFN-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCS[C@H]2C)cc[nH+]1 ZINC000826808866 587363055 /nfs/dbraw/zinc/36/30/55/587363055.db2.gz IDFIGSXLPLANMN-VHSXEESVSA-N 1 2 237.372 2.906 20 0 BFADLO Cc1nc(N2CCCCCCCC2)cc[nH+]1 ZINC000829077893 587481953 /nfs/dbraw/zinc/48/19/53/587481953.db2.gz OXUJDAVSVHOTGE-UHFFFAOYSA-N 1 2 219.332 2.946 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000830211799 587540962 /nfs/dbraw/zinc/54/09/62/587540962.db2.gz CUSNCXDMGMTPEE-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000830211799 587540963 /nfs/dbraw/zinc/54/09/63/587540963.db2.gz CUSNCXDMGMTPEE-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO CC1(C)CC[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000831601066 587622719 /nfs/dbraw/zinc/62/27/19/587622719.db2.gz UAJRLAWJPCETRI-WDEREUQCSA-N 1 2 247.342 2.509 20 0 BFADLO Cn1c[nH+]cc1CN(c1ccccc1)C1CC1 ZINC000832160849 587647603 /nfs/dbraw/zinc/64/76/03/587647603.db2.gz RFJJYSHYARENTC-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO CCC[C@H](C(=O)N[C@H]1CCn2cc[nH+]c21)C(C)C ZINC000833277673 587704139 /nfs/dbraw/zinc/70/41/39/587704139.db2.gz FVCUYAZIZLFDOY-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO CC[C@H](CC(C)C)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833271313 587704304 /nfs/dbraw/zinc/70/43/04/587704304.db2.gz GKFBSHFGNWJBBR-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)C[C@H](C)CC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833293418 587705143 /nfs/dbraw/zinc/70/51/43/587705143.db2.gz YHJHLQPKYOBKFZ-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@H]1CCn2ccnc21 ZINC000834602849 587760572 /nfs/dbraw/zinc/76/05/72/587760572.db2.gz VGEQPWSGPMLQIG-ZDUSSCGKSA-N 1 2 245.301 2.565 20 0 BFADLO CCc1nc(C[NH2+][C@H]2CCCc3occc32)co1 ZINC000834898554 587769558 /nfs/dbraw/zinc/76/95/58/587769558.db2.gz LUYSIOPPTSILJZ-LBPRGKRZSA-N 1 2 246.310 2.997 20 0 BFADLO CC[C@H](CC(C)C)C(=O)OCc1c[nH+]cn1C ZINC000835193981 587788314 /nfs/dbraw/zinc/78/83/14/587788314.db2.gz ICPKFSSFIAEXDJ-LLVKDONJSA-N 1 2 238.331 2.536 20 0 BFADLO CC/C(C)=C/C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000835288226 587794669 /nfs/dbraw/zinc/79/46/69/587794669.db2.gz ZYTLZQGICRGMIH-DHZHZOJOSA-N 1 2 248.326 2.547 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)C=C2CCCC2)c2[nH+]ccn21 ZINC000836957216 587843705 /nfs/dbraw/zinc/84/37/05/587843705.db2.gz ZUUINLCULMHBCK-ZYHUDNBSSA-N 1 2 245.326 2.506 20 0 BFADLO CCCCCCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000836958110 587844377 /nfs/dbraw/zinc/84/43/77/587844377.db2.gz GANCVSSYKPTEHQ-VXGBXAGGSA-N 1 2 249.358 2.976 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@@H](C)C2CC2)c[nH+]1 ZINC000837104402 587853830 /nfs/dbraw/zinc/85/38/30/587853830.db2.gz WTPSFDNWOKJXPR-LLVKDONJSA-N 1 2 246.354 2.751 20 0 BFADLO C[C@H]1CCC[C@@]1(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837934167 587904060 /nfs/dbraw/zinc/90/40/60/587904060.db2.gz NUIOHTAQZIOIJV-IINYFYTJSA-N 1 2 248.326 2.533 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC/C=C/c1ccccc1 ZINC000842037378 587992008 /nfs/dbraw/zinc/99/20/08/587992008.db2.gz YJSRVQUFBSFPGE-GCZGVDRJSA-N 1 2 248.326 2.623 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1=CCCC1 ZINC000842649953 588049109 /nfs/dbraw/zinc/04/91/09/588049109.db2.gz WDSXYIXGFOWXSH-LLVKDONJSA-N 1 2 240.347 2.656 20 0 BFADLO CC[NH2+]Cc1noc(C2C[C@H](C)C[C@@H](C)C2)n1 ZINC000843145150 588086832 /nfs/dbraw/zinc/08/68/32/588086832.db2.gz VSDOJGZEQVWXCA-NXEZZACHSA-N 1 2 237.347 2.719 20 0 BFADLO Cc1n[nH]c(C)c1-c1ccc2c(c1)[nH+]c(C)n2C ZINC000844232345 588175529 /nfs/dbraw/zinc/17/55/29/588175529.db2.gz NBUMOHWFSOTYQQ-UHFFFAOYSA-N 1 2 240.310 2.889 20 0 BFADLO CCC[C@H](C)c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000844844950 588218273 /nfs/dbraw/zinc/21/82/73/588218273.db2.gz IMWFXYZFVQQCDS-WDEREUQCSA-N 1 2 248.330 2.973 20 0 BFADLO CCCCCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845281556 588225600 /nfs/dbraw/zinc/22/56/00/588225600.db2.gz PJEITSRETWVORR-NSHDSACASA-N 1 2 224.304 2.568 20 0 BFADLO CCC[C@@H](CC)OC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845492770 588230777 /nfs/dbraw/zinc/23/07/77/588230777.db2.gz HVEQFUOQNZRLKF-VXGBXAGGSA-N 1 2 238.331 2.956 20 0 BFADLO CCC/C=C/COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845574556 588233688 /nfs/dbraw/zinc/23/36/88/588233688.db2.gz IKYHDLFJQPMWFE-FYJFLYSWSA-N 1 2 236.315 2.734 20 0 BFADLO CCC1(COC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000845579341 588233792 /nfs/dbraw/zinc/23/37/92/588233792.db2.gz UGQLNVYAVWRZDE-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO Cc1nc(NCC[C@@]2(C)C[C@]2(F)Cl)cc[nH+]1 ZINC000845655114 588239858 /nfs/dbraw/zinc/23/98/58/588239858.db2.gz YUJSSVXXBVGYQI-WDEREUQCSA-N 1 2 243.713 2.902 20 0 BFADLO CC/C(C)=C(\C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846243887 588262554 /nfs/dbraw/zinc/26/25/54/588262554.db2.gz AHHZTSYVODLSJI-MDZDMXLPSA-N 1 2 235.331 2.507 20 0 BFADLO CCO[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000106465064 588283234 /nfs/dbraw/zinc/28/32/34/588283234.db2.gz VULNAUDJEHPENI-LBPRGKRZSA-N 1 2 249.358 2.605 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846747175 588284243 /nfs/dbraw/zinc/28/42/43/588284243.db2.gz AYCLFXIOQLZMEI-WDEREUQCSA-N 1 2 235.327 2.847 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CC3CCOCC3)ccc2O1 ZINC000846746331 588284253 /nfs/dbraw/zinc/28/42/53/588284253.db2.gz ZDANZXKGPLITBI-LLVKDONJSA-N 1 2 247.338 2.849 20 0 BFADLO Cc1c[nH+]ccc1CCNc1nccs1 ZINC000846748603 588284570 /nfs/dbraw/zinc/28/45/70/588284570.db2.gz CBVOPKDVDXYCLL-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748420 588284663 /nfs/dbraw/zinc/28/46/63/588284663.db2.gz PRVCLTFFLMKEST-GHMZBOCLSA-N 1 2 235.327 2.704 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@@H]3CCCOCC3)ccc2O1 ZINC000846749264 588284835 /nfs/dbraw/zinc/28/48/35/588284835.db2.gz DBAQWCQNCVEAAI-DGCLKSJQSA-N 1 2 247.338 2.991 20 0 BFADLO C[C@H]1Cc2cc([NH2+]C[C@H]3CCCOC3)ccc2O1 ZINC000846749737 588284932 /nfs/dbraw/zinc/28/49/32/588284932.db2.gz PSYZTJFLQCIHCP-NWDGAFQWSA-N 1 2 247.338 2.849 20 0 BFADLO C[N@@H+](Cc1cnsn1)CC1CCCCC1 ZINC000846760479 588286348 /nfs/dbraw/zinc/28/63/48/588286348.db2.gz GOZCBZCJMGAAFK-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[N@H+](Cc1cnsn1)CC1CCCCC1 ZINC000846760479 588286349 /nfs/dbraw/zinc/28/63/49/588286349.db2.gz GOZCBZCJMGAAFK-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO C[N@H+](Cc1cnsn1)[C@H]1CCc2ccccc21 ZINC000846773202 588287213 /nfs/dbraw/zinc/28/72/13/588287213.db2.gz LWHKJRXKJUVEGD-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@@H+](Cc1cnsn1)[C@H]1CCc2ccccc21 ZINC000846773202 588287214 /nfs/dbraw/zinc/28/72/14/588287214.db2.gz LWHKJRXKJUVEGD-ZDUSSCGKSA-N 1 2 245.351 2.657 20 0 BFADLO C[N@H+](CCCc1ccccc1)Cc1cnsn1 ZINC000846771846 588287341 /nfs/dbraw/zinc/28/73/41/588287341.db2.gz MRVPSZWBRYGANF-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO C[N@@H+](CCCc1ccccc1)Cc1cnsn1 ZINC000846771846 588287342 /nfs/dbraw/zinc/28/73/42/588287342.db2.gz MRVPSZWBRYGANF-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CCC[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846815638 588290633 /nfs/dbraw/zinc/29/06/33/588290633.db2.gz QHJAETLLTDCIFS-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CCC[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846815638 588290634 /nfs/dbraw/zinc/29/06/34/588290634.db2.gz QHJAETLLTDCIFS-SNVBAGLBSA-N 1 2 225.361 2.550 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)Cc1cnsn1 ZINC000846828970 588291371 /nfs/dbraw/zinc/29/13/71/588291371.db2.gz MVUKXVBIEYFWHC-SECBINFHSA-N 1 2 245.417 2.502 20 0 BFADLO c1nsnc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000846852020 588293470 /nfs/dbraw/zinc/29/34/70/588293470.db2.gz ZXUIJTNVKSTZJN-ZDUSSCGKSA-N 1 2 245.351 2.779 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)[C@@H]1C ZINC000846922024 588296789 /nfs/dbraw/zinc/29/67/89/588296789.db2.gz BZAQHHMITPHLTR-HTQZYQBOSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)[C@@H]1C ZINC000846922024 588296790 /nfs/dbraw/zinc/29/67/90/588296790.db2.gz BZAQHHMITPHLTR-HTQZYQBOSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1)[NH+](C)C ZINC000848618115 588401945 /nfs/dbraw/zinc/40/19/45/588401945.db2.gz GMNINHIHDWSUDF-UKKRHICBSA-N 1 2 235.331 2.596 20 0 BFADLO CCC(CC)OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848782234 588413643 /nfs/dbraw/zinc/41/36/43/588413643.db2.gz ITTQCXLUHIBVKG-UHFFFAOYSA-N 1 2 246.310 2.988 20 0 BFADLO CCOC(=O)C[N@H+](C)Cc1ccccc1C(C)C ZINC000848880083 588416402 /nfs/dbraw/zinc/41/64/02/588416402.db2.gz CPSXHRVPMIJHLV-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CCOC(=O)C[N@@H+](C)Cc1ccccc1C(C)C ZINC000848880083 588416403 /nfs/dbraw/zinc/41/64/03/588416403.db2.gz CPSXHRVPMIJHLV-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO C[C@H]([NH2+][C@H]1CC[C@H]1C)C(=O)OCc1ccccc1 ZINC000848922946 588421097 /nfs/dbraw/zinc/42/10/97/588421097.db2.gz ZXDXPHJUISYOER-DYEKYZERSA-N 1 2 247.338 2.506 20 0 BFADLO COc1ccc([NH2+]CC[C@H](C)O)cc1SC ZINC000849317530 588471946 /nfs/dbraw/zinc/47/19/46/588471946.db2.gz SNQKNRKKVURZIO-VIFPVBQESA-N 1 2 241.356 2.600 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2COC3(CCC3)C2)cc1 ZINC000850455976 588548202 /nfs/dbraw/zinc/54/82/02/588548202.db2.gz XSQLPHCPRKIXCQ-CYBMUJFWSA-N 1 2 246.354 2.876 20 0 BFADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ncccn1 ZINC000850552779 588559873 /nfs/dbraw/zinc/55/98/73/588559873.db2.gz PQABTZZAVMFVFA-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)n2)o1 ZINC000851719245 588616718 /nfs/dbraw/zinc/61/67/18/588616718.db2.gz XDJQOFINPNSRDS-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cccc(F)n2)o1 ZINC000851719245 588616719 /nfs/dbraw/zinc/61/67/19/588616719.db2.gz XDJQOFINPNSRDS-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3sccc3C2)n1 ZINC000851719682 588616816 /nfs/dbraw/zinc/61/68/16/588616816.db2.gz PSHCPKFQOHELIE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3sccc3C2)n1 ZINC000851719682 588616817 /nfs/dbraw/zinc/61/68/17/588616817.db2.gz PSHCPKFQOHELIE-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CC[N@H+](Cc1cnon1)[C@@H](C)c1ccc(F)cc1 ZINC000851735148 588620377 /nfs/dbraw/zinc/62/03/77/588620377.db2.gz COISLAOJEARJHC-JTQLQIEISA-N 1 2 249.289 2.792 20 0 BFADLO CC[N@@H+](Cc1cnon1)[C@@H](C)c1ccc(F)cc1 ZINC000851735148 588620378 /nfs/dbraw/zinc/62/03/78/588620378.db2.gz COISLAOJEARJHC-JTQLQIEISA-N 1 2 249.289 2.792 20 0 BFADLO CC[C@H]1C[N@H+](CC=C(Cl)Cl)C[C@@H](C)O1 ZINC000851769253 588625700 /nfs/dbraw/zinc/62/57/00/588625700.db2.gz LOCMIJMWYOOUAF-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1C[N@@H+](CC=C(Cl)Cl)C[C@@H](C)O1 ZINC000851769253 588625701 /nfs/dbraw/zinc/62/57/01/588625701.db2.gz LOCMIJMWYOOUAF-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](Cc1cnon1)C1CC1 ZINC000851827991 588633688 /nfs/dbraw/zinc/63/36/88/588633688.db2.gz LHBPAKTVCCIXPD-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](Cc1cnon1)C1CC1 ZINC000851827991 588633689 /nfs/dbraw/zinc/63/36/89/588633689.db2.gz LHBPAKTVCCIXPD-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cccc(F)n2)n1 ZINC000851849118 588634929 /nfs/dbraw/zinc/63/49/29/588634929.db2.gz RIBGIEPWAREGJF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cccc(F)n2)n1 ZINC000851849118 588634930 /nfs/dbraw/zinc/63/49/30/588634930.db2.gz RIBGIEPWAREGJF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cnon1 ZINC000851984444 588651393 /nfs/dbraw/zinc/65/13/93/588651393.db2.gz LQMPAOVXPVAITF-XYOKQWHBSA-N 1 2 243.310 2.605 20 0 BFADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cnon1 ZINC000851984444 588651394 /nfs/dbraw/zinc/65/13/94/588651394.db2.gz LQMPAOVXPVAITF-XYOKQWHBSA-N 1 2 243.310 2.605 20 0 BFADLO C[C@H]1COC(C)(C)C[N@@H+]1CC=C(Cl)Cl ZINC000851982841 588651466 /nfs/dbraw/zinc/65/14/66/588651466.db2.gz OTTFZMQTKOIPBJ-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@H]1COC(C)(C)C[N@H+]1CC=C(Cl)Cl ZINC000851982841 588651467 /nfs/dbraw/zinc/65/14/67/588651467.db2.gz OTTFZMQTKOIPBJ-QMMMGPOBSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1ccc(C2([NH2+]Cc3cnon3)CCC2)cc1 ZINC000852210145 588672079 /nfs/dbraw/zinc/67/20/79/588672079.db2.gz ZHDQOSULQORNRJ-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO CC[C@H]1C[N@H+](CC=C(Cl)Cl)[C@H](C)CO1 ZINC000852210754 588672775 /nfs/dbraw/zinc/67/27/75/588672775.db2.gz ACVKRRQJSHPIPS-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1C[N@@H+](CC=C(Cl)Cl)[C@H](C)CO1 ZINC000852210754 588672776 /nfs/dbraw/zinc/67/27/76/588672776.db2.gz ACVKRRQJSHPIPS-BDAKNGLRSA-N 1 2 238.158 2.805 20 0 BFADLO CC12CC(C1)C[N@@H+]2Cc1csc(Cl)n1 ZINC000852787797 588702501 /nfs/dbraw/zinc/70/25/01/588702501.db2.gz ZYWHFZKWMDZQLZ-UHFFFAOYSA-N 1 2 228.748 2.781 20 0 BFADLO CC12CC(C1)C[N@H+]2Cc1csc(Cl)n1 ZINC000852787797 588702502 /nfs/dbraw/zinc/70/25/02/588702502.db2.gz ZYWHFZKWMDZQLZ-UHFFFAOYSA-N 1 2 228.748 2.781 20 0 BFADLO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)ccnc1F ZINC000862302001 589200649 /nfs/dbraw/zinc/20/06/49/589200649.db2.gz VPFOSVJVXCTGSO-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)ccnc1F ZINC000862302001 589200650 /nfs/dbraw/zinc/20/06/50/589200650.db2.gz VPFOSVJVXCTGSO-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c[nH]c(CN2CCc3cc(C)c(C)cc32)[nH+]1 ZINC000862362974 589204264 /nfs/dbraw/zinc/20/42/64/589204264.db2.gz IFDQMJOGAVBZIM-UHFFFAOYSA-N 1 2 241.338 2.898 20 0 BFADLO Clc1nccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000862443863 589213828 /nfs/dbraw/zinc/21/38/28/589213828.db2.gz VVBMHQVANBLLTK-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1nccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000862443863 589213829 /nfs/dbraw/zinc/21/38/29/589213829.db2.gz VVBMHQVANBLLTK-DTORHVGOSA-N 1 2 243.137 2.840 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1ccoc1)C2 ZINC000862529253 589217841 /nfs/dbraw/zinc/21/78/41/589217841.db2.gz IUNUGQWIZCUBOU-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1ccoc1)C2 ZINC000862529253 589217842 /nfs/dbraw/zinc/21/78/42/589217842.db2.gz IUNUGQWIZCUBOU-UHFFFAOYSA-N 1 2 229.279 2.804 20 0 BFADLO Cc1cnc(=S)n(C[NH+](C2CC2)C2CC2)c1 ZINC000863303868 589277696 /nfs/dbraw/zinc/27/76/96/589277696.db2.gz FDBPUFUCNHTZOT-UHFFFAOYSA-N 1 2 235.356 2.505 20 0 BFADLO CCC[C@@H](C)CCCO[NH+]=C(N)[C@@H](C)OC ZINC000863459699 589290008 /nfs/dbraw/zinc/29/00/08/589290008.db2.gz QZWMQGHYLLZSOY-GHMZBOCLSA-N 1 2 230.352 2.736 20 0 BFADLO COC1(C(N)=[NH+]OCC2=CCCC2)CCCC1 ZINC000863477794 589291911 /nfs/dbraw/zinc/29/19/11/589291911.db2.gz VKNYVZKDBWGAMH-UHFFFAOYSA-N 1 2 238.331 2.554 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2coc(C)c2)c[nH+]1 ZINC000863722728 589313028 /nfs/dbraw/zinc/31/30/28/589313028.db2.gz LCFIYOWBBMBYKN-CYBMUJFWSA-N 1 2 246.310 2.833 20 0 BFADLO Cc1ccc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000863974376 589330520 /nfs/dbraw/zinc/33/05/20/589330520.db2.gz FGGXDTBGFVGLGW-UHFFFAOYSA-N 1 2 213.284 2.590 20 0 BFADLO c1nc(C2CC2)oc1-c1c[nH+]c2n1CCCC2 ZINC000863976271 589331696 /nfs/dbraw/zinc/33/16/96/589331696.db2.gz BZIBPSTVZSXLAT-UHFFFAOYSA-N 1 2 229.283 2.752 20 0 BFADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cc[nH]n1 ZINC000863983612 589333075 /nfs/dbraw/zinc/33/30/75/589333075.db2.gz JPNAIUQJVOIYIK-KBPBESRZSA-N 1 2 245.301 2.525 20 0 BFADLO C[C@H](O)c1cccc(N(C)C[C@H]2CC2(C)C)[nH+]1 ZINC000864089313 589342882 /nfs/dbraw/zinc/34/28/82/589342882.db2.gz POVYEPIPGBIQFW-WDEREUQCSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@H](O)c1cccc(NC[C@]2(C)C[C@H]3C[C@H]3C2)[nH+]1 ZINC000864090542 589343385 /nfs/dbraw/zinc/34/33/85/589343385.db2.gz FYOLZUQVUPTVMK-OHTBPHCPSA-N 1 2 246.354 2.983 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cscn2)c(C)o1 ZINC000120244458 589397648 /nfs/dbraw/zinc/39/76/48/589397648.db2.gz GXWUVWWQTRHDHW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cscn2)c(C)o1 ZINC000120244458 589397650 /nfs/dbraw/zinc/39/76/50/589397650.db2.gz GXWUVWWQTRHDHW-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(Cn2c[nH+]c(C(C)(C)C)c2)cs1 ZINC000865375515 589428065 /nfs/dbraw/zinc/42/80/65/589428065.db2.gz XUYXKLYJLFCILA-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO COCCCCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375957 589428179 /nfs/dbraw/zinc/42/81/79/589428179.db2.gz RXZDJOCEQFWRQJ-UHFFFAOYSA-N 1 2 224.348 2.997 20 0 BFADLO CCCc1noc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865375049 589428231 /nfs/dbraw/zinc/42/82/31/589428231.db2.gz FPXIUYGSRMZAKY-UHFFFAOYSA-N 1 2 248.330 2.564 20 0 BFADLO CCCCOC(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375481 589428479 /nfs/dbraw/zinc/42/84/79/589428479.db2.gz WJZASNVKTDWVGJ-UHFFFAOYSA-N 1 2 238.331 2.524 20 0 BFADLO Cc1cnc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC000865375257 589428492 /nfs/dbraw/zinc/42/84/92/589428492.db2.gz HKUNLDDIXJEMAK-UHFFFAOYSA-N 1 2 219.288 2.525 20 0 BFADLO Fc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865401168 589432822 /nfs/dbraw/zinc/43/28/22/589432822.db2.gz YGRIKDMWWRTEIP-UHFFFAOYSA-N 1 2 245.301 2.647 20 0 BFADLO COc1ccccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865421389 589434768 /nfs/dbraw/zinc/43/47/68/589434768.db2.gz FKOIPKWQNZNIMK-UHFFFAOYSA-N 1 2 243.310 2.839 20 0 BFADLO COCC[C@@H](C)Nc1cc(CC(C)C)[nH+]cn1 ZINC000865497829 589441785 /nfs/dbraw/zinc/44/17/85/589441785.db2.gz RNRLAPYKJZJZLC-LLVKDONJSA-N 1 2 237.347 2.512 20 0 BFADLO Cc1ccc(NCc2cn(C3CC3)cn2)c(C)[nH+]1 ZINC000865506660 589442277 /nfs/dbraw/zinc/44/22/77/589442277.db2.gz VXXJLJPFCGQRFW-UHFFFAOYSA-N 1 2 242.326 2.842 20 0 BFADLO CC(C)Cc1cc(N[C@@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000865560710 589447003 /nfs/dbraw/zinc/44/70/03/589447003.db2.gz NOQCKROFNBTVCE-RYUDHWBXSA-N 1 2 249.358 2.512 20 0 BFADLO CO[C@H](C)CNc1[nH+]cc(C(F)(F)F)cc1C ZINC000865714486 589458081 /nfs/dbraw/zinc/45/80/81/589458081.db2.gz QUQSAOPMDWWOGW-MRVPVSSYSA-N 1 2 248.248 2.856 20 0 BFADLO COCc1cc([NH2+]CC(C)C)ccc1OC ZINC000865752199 589460640 /nfs/dbraw/zinc/46/06/40/589460640.db2.gz NVYGKGURRNZGSQ-UHFFFAOYSA-N 1 2 223.316 2.910 20 0 BFADLO Cn1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)n1 ZINC000865814867 589462941 /nfs/dbraw/zinc/46/29/41/589462941.db2.gz PEEMDJIBIRPNTM-UHFFFAOYSA-N 1 2 247.342 2.600 20 0 BFADLO CC(C)Cc1cc(NC[C@@H]2CC[C@@H](C)O2)nc[nH+]1 ZINC000865867987 589466089 /nfs/dbraw/zinc/46/60/89/589466089.db2.gz KSKQMMUBVBHOEN-YPMHNXCESA-N 1 2 249.358 2.655 20 0 BFADLO CC(C)Cc1cc(NC[C@@H]2CC[C@H](C)O2)nc[nH+]1 ZINC000865867984 589466188 /nfs/dbraw/zinc/46/61/88/589466188.db2.gz KSKQMMUBVBHOEN-AAEUAGOBSA-N 1 2 249.358 2.655 20 0 BFADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@H]2c2ccco2)[nH+]c1 ZINC000865881403 589467153 /nfs/dbraw/zinc/46/71/53/589467153.db2.gz ZKSXXFJWRITLGF-YUSALJHKSA-N 1 2 244.294 2.696 20 0 BFADLO C[C@H](O)c1ccc(NC[C@@H]2C[C@H]2C2CCC2)[nH+]c1 ZINC000865890645 589467572 /nfs/dbraw/zinc/46/75/72/589467572.db2.gz XPHVSHDUQRETTP-BPNCWPANSA-N 1 2 246.354 2.983 20 0 BFADLO CC(C)c1nc(N(C)Cc2ccns2)cc[nH+]1 ZINC000865937656 589469521 /nfs/dbraw/zinc/46/95/21/589469521.db2.gz XVHOTOFJIPYNPX-UHFFFAOYSA-N 1 2 248.355 2.693 20 0 BFADLO CC[C@H](C[C@H](C)O)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000866300621 589484771 /nfs/dbraw/zinc/48/47/71/589484771.db2.gz XINATEYSHDUMCD-CMPLNLGQSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000866492338 589497392 /nfs/dbraw/zinc/49/73/92/589497392.db2.gz MMRKFMHDGRKVMM-BXGBBSSXSA-N 1 2 244.338 2.929 20 0 BFADLO C/C=C/COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000121789698 589532613 /nfs/dbraw/zinc/53/26/13/589532613.db2.gz GRVHACJENRYXPI-YVZNUBBCSA-N 1 2 247.338 2.799 20 0 BFADLO C/C=C/COC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000121789698 589532614 /nfs/dbraw/zinc/53/26/14/589532614.db2.gz GRVHACJENRYXPI-YVZNUBBCSA-N 1 2 247.338 2.799 20 0 BFADLO COc1cc(C)[nH+]c(COC(=O)C2CCCC2)c1 ZINC000122266482 589573792 /nfs/dbraw/zinc/57/37/92/589573792.db2.gz UVJKMCBUAMOFFW-UHFFFAOYSA-N 1 2 249.310 2.632 20 0 BFADLO CC/C=C(/C)C(=O)OCc1cc(OC)cc(C)[nH+]1 ZINC000122412155 589587118 /nfs/dbraw/zinc/58/71/18/589587118.db2.gz XKLNXWPTIIWYNC-POHAHGRESA-N 1 2 249.310 2.798 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(OCCO)c(C)c1 ZINC000122509817 589595917 /nfs/dbraw/zinc/59/59/17/589595917.db2.gz AJXNZDPJMAXROF-NSHDSACASA-N 1 2 237.343 2.824 20 0 BFADLO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1ccccc1C ZINC000122915668 589643504 /nfs/dbraw/zinc/64/35/04/589643504.db2.gz MWGGITXMCZIKDA-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1ccccc1C ZINC000122915668 589643506 /nfs/dbraw/zinc/64/35/06/589643506.db2.gz MWGGITXMCZIKDA-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC[C@@H](Sc1[nH+]cc2ccccn21)C(C)=O ZINC000871639589 589780792 /nfs/dbraw/zinc/78/07/92/589780792.db2.gz TWCOIANEDLEEFR-LLVKDONJSA-N 1 2 234.324 2.794 20 0 BFADLO CC(C)SCc1[nH+]ccn1CC(F)F ZINC000871696450 589793505 /nfs/dbraw/zinc/79/35/05/589793505.db2.gz MVVARHYZIYDAFX-UHFFFAOYSA-N 1 2 220.288 2.790 20 0 BFADLO C[C@@H](COCc1[nH]cc[nH+]1)CC(C)(C)C ZINC000871751499 589805163 /nfs/dbraw/zinc/80/51/63/589805163.db2.gz YWFCKMRVBGGRLT-SNVBAGLBSA-N 1 2 210.321 2.999 20 0 BFADLO C[C@H](COCc1[nH]cc[nH+]1)CC(C)(C)C ZINC000871751498 589805228 /nfs/dbraw/zinc/80/52/28/589805228.db2.gz YWFCKMRVBGGRLT-JTQLQIEISA-N 1 2 210.321 2.999 20 0 BFADLO CC[C@@H]([NH2+]Cc1nonc1C)c1ccsc1 ZINC000872137576 589879889 /nfs/dbraw/zinc/87/98/89/589879889.db2.gz UKQDWPKOMRMJNC-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO CCn1ncc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1C ZINC000872139979 589880893 /nfs/dbraw/zinc/88/08/93/589880893.db2.gz UQLXWPOVCRGFEG-MWLCHTKSSA-N 1 2 245.330 2.526 20 0 BFADLO Cc1nc(NCC2(OC(C)C)CCC2)cc[nH+]1 ZINC000872707472 589963898 /nfs/dbraw/zinc/96/38/98/589963898.db2.gz LPEKNKVDAQKUAI-UHFFFAOYSA-N 1 2 235.331 2.545 20 0 BFADLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC12CC2 ZINC000873625375 590063137 /nfs/dbraw/zinc/06/31/37/590063137.db2.gz YSDYFDYBXBDUSJ-TUAOUCFPSA-N 1 2 248.326 2.566 20 0 BFADLO CC(C)c1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC000019989477 590065173 /nfs/dbraw/zinc/06/51/73/590065173.db2.gz BHTMUYQPHHNWFQ-GFCCVEGCSA-N 1 2 243.310 2.580 20 0 BFADLO CC[C@@H](C)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124911495 590096951 /nfs/dbraw/zinc/09/69/51/590096951.db2.gz DGNBLYDCTBFWFN-MNOVXSKESA-N 1 2 222.332 2.617 20 0 BFADLO CCCN(c1ccc([C@H](C)O)c[nH+]1)C1CC1 ZINC000124905927 590097628 /nfs/dbraw/zinc/09/76/28/590097628.db2.gz WIEMMYHNPIYRSJ-JTQLQIEISA-N 1 2 220.316 2.514 20 0 BFADLO CC(C)[C@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124916555 590098760 /nfs/dbraw/zinc/09/87/60/590098760.db2.gz CRGXUWHBFHXLOU-WDEREUQCSA-N 1 2 222.332 2.616 20 0 BFADLO CCC[C@H](C)N(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124918273 590099094 /nfs/dbraw/zinc/09/90/94/590099094.db2.gz GHJIQNFOWFXHCJ-WDEREUQCSA-N 1 2 222.332 2.760 20 0 BFADLO C[C@H](O)c1ccc(N(C)CC(C)(C)C)[nH+]c1 ZINC000124934815 590102601 /nfs/dbraw/zinc/10/26/01/590102601.db2.gz COTSPUWWDWZNJF-JTQLQIEISA-N 1 2 222.332 2.617 20 0 BFADLO CCC[C@@H](CC)C(=O)Nc1cc[nH+]cc1C ZINC000874442792 590110727 /nfs/dbraw/zinc/11/07/27/590110727.db2.gz TZECHYFTMCRDGV-LLVKDONJSA-N 1 2 220.316 2.577 20 0 BFADLO CCC1(CC)CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000874630826 590120239 /nfs/dbraw/zinc/12/02/39/590120239.db2.gz YVQWQZZESXCRLP-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1cnc(CNc2ccc([NH+](C)C)cc2C)o1 ZINC000876818465 590246140 /nfs/dbraw/zinc/24/61/40/590246140.db2.gz SBXIDONGRTYYJJ-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1c[nH+]cc(NC[C@H]2CC2(Cl)Cl)c1 ZINC000877114896 590287908 /nfs/dbraw/zinc/28/79/08/590287908.db2.gz BGELXBSJWUPDDB-MRVPVSSYSA-N 1 2 231.126 2.996 20 0 BFADLO c1cc2c(cc1[NH2+]CCC[C@H]1CCO1)CCCO2 ZINC000877160538 590294206 /nfs/dbraw/zinc/29/42/06/590294206.db2.gz MADJATUQSFEINJ-AWEZNQCLSA-N 1 2 247.338 2.993 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nc(Cl)cs1 ZINC000877546026 590352511 /nfs/dbraw/zinc/35/25/11/590352511.db2.gz GBXRNYBKDQNLOL-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CCOc1cccc(F)c1C[NH+]1CC2(CC2)C1 ZINC000877556246 590357223 /nfs/dbraw/zinc/35/72/23/590357223.db2.gz NJELTHWSSHDJBJ-UHFFFAOYSA-N 1 2 235.302 2.820 20 0 BFADLO Clc1csc(C[N@@H+]2CC[C@@H]2C2CC2)n1 ZINC000877562104 590360140 /nfs/dbraw/zinc/36/01/40/590360140.db2.gz PBGUIDUUKACPOS-MRVPVSSYSA-N 1 2 228.748 2.781 20 0 BFADLO Clc1csc(C[N@H+]2CC[C@@H]2C2CC2)n1 ZINC000877562104 590360143 /nfs/dbraw/zinc/36/01/43/590360143.db2.gz PBGUIDUUKACPOS-MRVPVSSYSA-N 1 2 228.748 2.781 20 0 BFADLO CS[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877563636 590361122 /nfs/dbraw/zinc/36/11/22/590361122.db2.gz PSBICQLFELWAPK-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877563636 590361123 /nfs/dbraw/zinc/36/11/23/590361123.db2.gz PSBICQLFELWAPK-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO CC(C)(F)C[NH2+]Cc1nc(Cl)cs1 ZINC000877663213 590387819 /nfs/dbraw/zinc/38/78/19/590387819.db2.gz KSMBNZQXLVSNOY-UHFFFAOYSA-N 1 2 222.716 2.634 20 0 BFADLO COCc1cc([NH2+]C[C@H]2C[C@H]2C)ccc1OC ZINC000877702648 590395551 /nfs/dbraw/zinc/39/55/51/590395551.db2.gz VYFYTNVNRCKKQH-GHMZBOCLSA-N 1 2 235.327 2.910 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877716487 590398731 /nfs/dbraw/zinc/39/87/31/590398731.db2.gz CGFWYMQKEAXPCI-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877716487 590398734 /nfs/dbraw/zinc/39/87/34/590398734.db2.gz CGFWYMQKEAXPCI-JTQLQIEISA-N 1 2 237.265 2.606 20 0 BFADLO Cc1cc(C[NH+]2CC(C)(C)C2)cnc1Cl ZINC000877717997 590399297 /nfs/dbraw/zinc/39/92/97/590399297.db2.gz VDZZEJCEWWUQFQ-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CC([C@@H]2CCC[C@H](C)C2)C1 ZINC000877763523 590419432 /nfs/dbraw/zinc/41/94/32/590419432.db2.gz AXLWQIQPMOQTTP-WCQYABFASA-N 1 2 247.386 2.976 20 0 BFADLO COc1ccccc1C[NH+]1CC(OC(C)(C)C)C1 ZINC000877772270 590421832 /nfs/dbraw/zinc/42/18/32/590421832.db2.gz WQJVNOLIEROYFI-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC2(CCC2)CO1 ZINC000878032991 590476125 /nfs/dbraw/zinc/47/61/25/590476125.db2.gz QWLSIKIJBPAAOD-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC2(CCC2)CO1 ZINC000878032991 590476127 /nfs/dbraw/zinc/47/61/27/590476127.db2.gz QWLSIKIJBPAAOD-NSHDSACASA-N 1 2 247.329 2.923 20 0 BFADLO C=C/C=C\CC[N@@H+](CC(F)F)C1CC1 ZINC000878084448 590489522 /nfs/dbraw/zinc/48/95/22/590489522.db2.gz SUJNKSMBVJEUKU-ARJAWSKDSA-N 1 2 201.260 2.848 20 0 BFADLO C=C/C=C\CC[N@H+](CC(F)F)C1CC1 ZINC000878084448 590489523 /nfs/dbraw/zinc/48/95/23/590489523.db2.gz SUJNKSMBVJEUKU-ARJAWSKDSA-N 1 2 201.260 2.848 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(n2cccn2)CC1 ZINC000878089900 590490825 /nfs/dbraw/zinc/49/08/25/590490825.db2.gz QLXYPTBLJVNYRL-UHFFFAOYSA-N 1 2 243.301 2.565 20 0 BFADLO C=C/C=C\CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000878113792 590497143 /nfs/dbraw/zinc/49/71/43/590497143.db2.gz NOAARWMFJYACBF-DHCBQETCSA-N 1 2 233.311 2.785 20 0 BFADLO C=C/C=C\CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000878113792 590497144 /nfs/dbraw/zinc/49/71/44/590497144.db2.gz NOAARWMFJYACBF-DHCBQETCSA-N 1 2 233.311 2.785 20 0 BFADLO Cc1conc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000878303463 590538631 /nfs/dbraw/zinc/53/86/31/590538631.db2.gz RTJGVZOMJOUEDF-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1conc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000878303463 590538634 /nfs/dbraw/zinc/53/86/34/590538634.db2.gz RTJGVZOMJOUEDF-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1conc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000878309147 590539624 /nfs/dbraw/zinc/53/96/24/590539624.db2.gz MPGJZIRUNBEYTB-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000878309147 590539625 /nfs/dbraw/zinc/53/96/25/590539625.db2.gz MPGJZIRUNBEYTB-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1conc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000878308788 590540244 /nfs/dbraw/zinc/54/02/44/590540244.db2.gz HKYRGIHWXPMBGN-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1conc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000878308788 590540247 /nfs/dbraw/zinc/54/02/47/590540247.db2.gz HKYRGIHWXPMBGN-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000878313734 590540533 /nfs/dbraw/zinc/54/05/33/590540533.db2.gz KIMNOUJQMAVSEM-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000878313734 590540534 /nfs/dbraw/zinc/54/05/34/590540534.db2.gz KIMNOUJQMAVSEM-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Clc1ncsc1C[N@@H+]1CC=CCC1 ZINC000878384229 590557831 /nfs/dbraw/zinc/55/78/31/590557831.db2.gz IRXPTFVTROKDFU-UHFFFAOYSA-N 1 2 214.721 2.558 20 0 BFADLO Clc1ncsc1C[N@H+]1CC=CCC1 ZINC000878384229 590557830 /nfs/dbraw/zinc/55/78/30/590557830.db2.gz IRXPTFVTROKDFU-UHFFFAOYSA-N 1 2 214.721 2.558 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878550702 590590396 /nfs/dbraw/zinc/59/03/96/590590396.db2.gz BMEWDRXFJIIHQB-LLVKDONJSA-N 1 2 240.297 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878550702 590590397 /nfs/dbraw/zinc/59/03/97/590590397.db2.gz BMEWDRXFJIIHQB-LLVKDONJSA-N 1 2 240.297 2.916 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)Nc1cc[nH+]cc1C ZINC000878769882 590620640 /nfs/dbraw/zinc/62/06/40/590620640.db2.gz SOIWSFSHSACAQL-SWLSCSKDSA-N 1 2 246.354 2.967 20 0 BFADLO ClC1=CCCN(Cc2cn3ccccc3[nH+]2)C1 ZINC000878793116 590624096 /nfs/dbraw/zinc/62/40/96/590624096.db2.gz FPYRJKPTYNQWEQ-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876793 590638779 /nfs/dbraw/zinc/63/87/79/590638779.db2.gz UNXAAKOACZMARI-FWAPLPHYSA-N 1 2 246.141 2.866 20 0 BFADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878876793 590638781 /nfs/dbraw/zinc/63/87/81/590638781.db2.gz UNXAAKOACZMARI-FWAPLPHYSA-N 1 2 246.141 2.866 20 0 BFADLO c1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)cs1 ZINC000878978784 590666702 /nfs/dbraw/zinc/66/67/02/590666702.db2.gz SZTXEUFPZAHJPN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)cs1 ZINC000878978784 590666705 /nfs/dbraw/zinc/66/67/05/590666705.db2.gz SZTXEUFPZAHJPN-GFCCVEGCSA-N 1 2 245.351 2.875 20 0 BFADLO C[C@@H](O)CCC[N@H+](C)c1cccc2cc[nH]c21 ZINC000879344648 590752105 /nfs/dbraw/zinc/75/21/05/590752105.db2.gz WCJQYROOHMKBGI-LLVKDONJSA-N 1 2 232.327 2.765 20 0 BFADLO C[C@@H](O)CCC[N@@H+](C)c1cccc2cc[nH]c21 ZINC000879344648 590752110 /nfs/dbraw/zinc/75/21/10/590752110.db2.gz WCJQYROOHMKBGI-LLVKDONJSA-N 1 2 232.327 2.765 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@@H+]1OC2CCC1CC2 ZINC000879798529 590868166 /nfs/dbraw/zinc/86/81/66/590868166.db2.gz WETINIZLNJTOMP-UEJVZZJDSA-N 1 2 236.142 2.739 20 0 BFADLO ClC1(Cl)C[C@H]1C[N@H+]1OC2CCC1CC2 ZINC000879798529 590868168 /nfs/dbraw/zinc/86/81/68/590868168.db2.gz WETINIZLNJTOMP-UEJVZZJDSA-N 1 2 236.142 2.739 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000880108220 590927798 /nfs/dbraw/zinc/92/77/98/590927798.db2.gz QOONIMBGXNNJIT-CPJBWDMUSA-N 1 2 246.141 2.755 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000880108222 590927890 /nfs/dbraw/zinc/92/78/90/590927890.db2.gz QOONIMBGXNNJIT-MOIHINDBSA-N 1 2 246.141 2.755 20 0 BFADLO CCCNc1cc(NCc2ccco2)nc[nH+]1 ZINC000128210585 590930127 /nfs/dbraw/zinc/93/01/27/590930127.db2.gz SQPCSDACVTYAOG-UHFFFAOYSA-N 1 2 232.287 2.504 20 0 BFADLO CCCNc1cc(NCc2ccco2)[nH+]cn1 ZINC000128210585 590930129 /nfs/dbraw/zinc/93/01/29/590930129.db2.gz SQPCSDACVTYAOG-UHFFFAOYSA-N 1 2 232.287 2.504 20 0 BFADLO FC[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000880236851 590968428 /nfs/dbraw/zinc/96/84/28/590968428.db2.gz KOSKAVRKBJTKMQ-MRVPVSSYSA-N 1 2 248.754 2.978 20 0 BFADLO FC[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000880236851 590968430 /nfs/dbraw/zinc/96/84/30/590968430.db2.gz KOSKAVRKBJTKMQ-MRVPVSSYSA-N 1 2 248.754 2.978 20 0 BFADLO CC[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880368745 591011969 /nfs/dbraw/zinc/01/19/69/591011969.db2.gz GBAYQJQUGQIZSD-UHFFFAOYSA-N 1 2 230.311 2.555 20 0 BFADLO CC[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880368745 591011972 /nfs/dbraw/zinc/01/19/72/591011972.db2.gz GBAYQJQUGQIZSD-UHFFFAOYSA-N 1 2 230.311 2.555 20 0 BFADLO Cc1[nH+]cnc(N2C[C@H](C)C[C@H](C)C2)c1C ZINC000881735832 591268113 /nfs/dbraw/zinc/26/81/13/591268113.db2.gz SAAZWUCNYLSNPL-AOOOYVTPSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(NCc2cc(C(C)C)no2)c1C ZINC000881984412 591285480 /nfs/dbraw/zinc/28/54/80/591285480.db2.gz VUOSISBZYZHMFB-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO Fc1c[nH+]ccc1N1CCC2(CCCC2)C1 ZINC000882032839 591289294 /nfs/dbraw/zinc/28/92/94/591289294.db2.gz UHXJEUJNTJKDSX-UHFFFAOYSA-N 1 2 220.291 2.991 20 0 BFADLO COC1CCC(CNc2nc[nH+]c(C)c2C)CC1 ZINC000882061847 591292930 /nfs/dbraw/zinc/29/29/30/591292930.db2.gz SFONWQYOXRGTGM-UHFFFAOYSA-N 1 2 249.358 2.711 20 0 BFADLO CC[C@H](O)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882098090 591297472 /nfs/dbraw/zinc/29/74/72/591297472.db2.gz BGWVFSGOLMNVHC-ZDUSSCGKSA-N 1 2 248.301 2.947 20 0 BFADLO CC[C@@H](O)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000882098088 591297702 /nfs/dbraw/zinc/29/77/02/591297702.db2.gz BGWVFSGOLMNVHC-CYBMUJFWSA-N 1 2 248.301 2.947 20 0 BFADLO Cc1[nH+]cnc(N2CCC(C(F)F)CC2)c1C ZINC000882105838 591298836 /nfs/dbraw/zinc/29/88/36/591298836.db2.gz LRYAEPMUVXSAHZ-UHFFFAOYSA-N 1 2 241.285 2.575 20 0 BFADLO CCC[C@@H](O)CCCSCc1cn(C)c[nH+]1 ZINC000882281575 591326163 /nfs/dbraw/zinc/32/61/63/591326163.db2.gz FSLADAQASMENJB-GFCCVEGCSA-N 1 2 242.388 2.595 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCCC2(F)F)c1C ZINC000882311160 591327976 /nfs/dbraw/zinc/32/79/76/591327976.db2.gz FVRHFEIIXCGGMM-VIFPVBQESA-N 1 2 227.258 2.693 20 0 BFADLO Cc1[nH+]cnc(NCCSC(C)C)c1C ZINC000882361113 591338218 /nfs/dbraw/zinc/33/82/18/591338218.db2.gz DROPHGLLFOFSQP-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO CC[C@@H](C)[C@@H](CNc1nc[nH+]c(C)c1C)OC ZINC000882407909 591344057 /nfs/dbraw/zinc/34/40/57/591344057.db2.gz GMVFEHJQUSXZOJ-BXKDBHETSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1[nH+]cnc(N2CC(C(C)(C)C)C2)c1C ZINC000882438575 591348669 /nfs/dbraw/zinc/34/86/69/591348669.db2.gz OXQPDIWYSGZSPY-UHFFFAOYSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCOC(C)(C)C2)c1C ZINC000882435530 591348956 /nfs/dbraw/zinc/34/89/56/591348956.db2.gz GUEDZWNVIOOYDA-GFCCVEGCSA-N 1 2 249.358 2.711 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]2C2CCC2)c1C ZINC000882480796 591356564 /nfs/dbraw/zinc/35/65/64/591356564.db2.gz CBQZTPGHCBJPBT-NWDGAFQWSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H](C)CC(F)F)c1C ZINC000882513578 591381111 /nfs/dbraw/zinc/38/11/11/591381111.db2.gz MNCXRMGQQCUXFW-ZETCQYMHSA-N 1 2 229.274 2.797 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H](C)c2ccccn2)c1C ZINC000882577865 591393851 /nfs/dbraw/zinc/39/38/51/591393851.db2.gz MWOVDNBDEIKJMG-SNVBAGLBSA-N 1 2 242.326 2.704 20 0 BFADLO CCc1csc(NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000882626689 591402429 /nfs/dbraw/zinc/40/24/29/591402429.db2.gz QODHPYKUWXDVBA-UHFFFAOYSA-N 1 2 236.344 2.776 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2C(C)(C)C2(F)F)c1C ZINC000882627557 591402574 /nfs/dbraw/zinc/40/25/74/591402574.db2.gz QLOOBOSSCMHDPP-VIFPVBQESA-N 1 2 241.285 2.797 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CCSC2)c1C ZINC000882673981 591408807 /nfs/dbraw/zinc/40/88/07/591408807.db2.gz BYSDVMKWYVWKMB-NSHDSACASA-N 1 2 237.372 2.649 20 0 BFADLO CC(C)c1nc(NCCc2ccns2)cc[nH+]1 ZINC000882762066 591431701 /nfs/dbraw/zinc/43/17/01/591431701.db2.gz RCPPDGMAEITBFK-UHFFFAOYSA-N 1 2 248.355 2.711 20 0 BFADLO C=C/C=C\CCNc1nc[nH+]c(C)c1C ZINC000882794241 591440109 /nfs/dbraw/zinc/44/01/09/591440109.db2.gz LRFKXYHFKBINDT-WAYWQWQTSA-N 1 2 203.289 2.638 20 0 BFADLO FC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000882801173 591443614 /nfs/dbraw/zinc/44/36/14/591443614.db2.gz HJBTVVIXQILQBK-SNVBAGLBSA-N 1 2 233.290 2.749 20 0 BFADLO FC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000882806605 591446152 /nfs/dbraw/zinc/44/61/52/591446152.db2.gz IQEXITAYDSKGLR-UHFFFAOYSA-N 1 2 231.274 2.568 20 0 BFADLO CC(C)[C@H]1CCCN1c1ccc([C@@H](C)O)c[nH+]1 ZINC000213304447 591460587 /nfs/dbraw/zinc/46/05/87/591460587.db2.gz VAMFRYFPWJNYCD-DGCLKSJQSA-N 1 2 234.343 2.760 20 0 BFADLO CC(C)[C@H]1CCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213306007 591460756 /nfs/dbraw/zinc/46/07/56/591460756.db2.gz VAMFRYFPWJNYCD-WCQYABFASA-N 1 2 234.343 2.760 20 0 BFADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cn1 ZINC000883050837 591528990 /nfs/dbraw/zinc/52/89/90/591528990.db2.gz BZYKVYWBUVTIQZ-UHFFFAOYSA-N 1 2 230.315 2.849 20 0 BFADLO C[N@H+](CCOCC1CC1)C/C(Cl)=C/Cl ZINC000130897502 591534216 /nfs/dbraw/zinc/53/42/16/591534216.db2.gz ICKBNXUWSCYYNQ-POHAHGRESA-N 1 2 238.158 2.664 20 0 BFADLO C[N@@H+](CCOCC1CC1)C/C(Cl)=C/Cl ZINC000130897502 591534218 /nfs/dbraw/zinc/53/42/18/591534218.db2.gz ICKBNXUWSCYYNQ-POHAHGRESA-N 1 2 238.158 2.664 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCCOC2)c[nH+]c1C ZINC000883342723 591621298 /nfs/dbraw/zinc/62/12/98/591621298.db2.gz JKGZRZWRKZIXRF-OLZOCXBDSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCOC2)c[nH+]c1C ZINC000883342232 591621452 /nfs/dbraw/zinc/62/14/52/591621452.db2.gz PGRQAJRAEZZJRV-NEPJUHHUSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)c[nH+]c1C ZINC000883342323 591621520 /nfs/dbraw/zinc/62/15/20/591621520.db2.gz SPWLYDSBTOBKMD-CMPLNLGQSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCOC2)c[nH+]c1C ZINC000883342235 591621642 /nfs/dbraw/zinc/62/16/42/591621642.db2.gz PGRQAJRAEZZJRV-VXGBXAGGSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1nn(C)c(C)c1CNc1c[nH+]c(C)c(C)c1 ZINC000883342050 591621648 /nfs/dbraw/zinc/62/16/48/591621648.db2.gz JBWTWFOJMXLUAF-UHFFFAOYSA-N 1 2 244.342 2.661 20 0 BFADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)[C@H]1CCOC1 ZINC000883342270 591621757 /nfs/dbraw/zinc/62/17/57/591621757.db2.gz RAEQACFEVRAYPF-GXTWGEPZSA-N 1 2 234.343 2.925 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@H](C)C2)c[nH+]c1C ZINC000883342325 591621998 /nfs/dbraw/zinc/62/19/98/591621998.db2.gz SPWLYDSBTOBKMD-PWSUYJOCSA-N 1 2 220.316 2.678 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@@H]1CCOC1 ZINC000883377680 591636844 /nfs/dbraw/zinc/63/68/44/591636844.db2.gz NMQQVPHSAWWMHV-LLVKDONJSA-N 1 2 238.356 2.536 20 0 BFADLO COC[C@H](C)CNc1ccc([NH+](C)C)cc1C ZINC000131734512 591649718 /nfs/dbraw/zinc/64/97/18/591649718.db2.gz STGZTBNBCBRVSE-LLVKDONJSA-N 1 2 236.359 2.755 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(N(C)C)cc1C ZINC000131734512 591649720 /nfs/dbraw/zinc/64/97/20/591649720.db2.gz STGZTBNBCBRVSE-LLVKDONJSA-N 1 2 236.359 2.755 20 0 BFADLO CCCC(CCC)c1nc(C[NH2+]CC)no1 ZINC000133004812 591756163 /nfs/dbraw/zinc/75/61/63/591756163.db2.gz VYSNFYPZOONDNT-UHFFFAOYSA-N 1 2 225.336 2.863 20 0 BFADLO CCc1nc(N2CCCc3occc3C2)cc[nH+]1 ZINC000884510911 591961080 /nfs/dbraw/zinc/96/10/80/591961080.db2.gz SXNGFXHIQGNLSQ-UHFFFAOYSA-N 1 2 243.310 2.585 20 0 BFADLO CCc1nc(NCc2occc2C)cc[nH+]1 ZINC000884513600 591962085 /nfs/dbraw/zinc/96/20/85/591962085.db2.gz MRJOQQNQQBJUTD-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CCc1nc(N[C@H](C)[C@](C)(OC)C2CC2)cc[nH+]1 ZINC000884530953 591968957 /nfs/dbraw/zinc/96/89/57/591968957.db2.gz YUZSMSUFCJETEO-YGRLFVJLSA-N 1 2 249.358 2.655 20 0 BFADLO CCc1nc(N[C@@H](CC)[C@@H]2CCCCO2)cc[nH+]1 ZINC000884548313 591976052 /nfs/dbraw/zinc/97/60/52/591976052.db2.gz HTWSBCKKDIRUNQ-RYUDHWBXSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(NC[C@H](C)c2ccccn2)cc[nH+]1 ZINC000884552353 591976586 /nfs/dbraw/zinc/97/65/86/591976586.db2.gz YJUJXRMOERRMIK-NSHDSACASA-N 1 2 242.326 2.650 20 0 BFADLO CCc1nc(NCC[C@H]2CCSC2)cc[nH+]1 ZINC000884568542 591983260 /nfs/dbraw/zinc/98/32/60/591983260.db2.gz NMAMPHIHOJRLMW-JTQLQIEISA-N 1 2 237.372 2.594 20 0 BFADLO CCc1cc(NCc2cc(C3CC3)no2)nc[nH+]1 ZINC000884637402 591999690 /nfs/dbraw/zinc/99/96/90/591999690.db2.gz MKJKXAJZBRYQDR-UHFFFAOYSA-N 1 2 244.298 2.517 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+](C)C/C=C/Cl ZINC000135270403 592000539 /nfs/dbraw/zinc/00/05/39/592000539.db2.gz GIUSXVPVPKEMRF-VMPITWQZSA-N 1 2 249.745 2.758 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+](C)C/C=C/Cl ZINC000135270403 592000542 /nfs/dbraw/zinc/00/05/42/592000542.db2.gz GIUSXVPVPKEMRF-VMPITWQZSA-N 1 2 249.745 2.758 20 0 BFADLO CCc1nc(NCC[C@@H]2CC(C)(C)CO2)cc[nH+]1 ZINC000884675257 592009123 /nfs/dbraw/zinc/00/91/23/592009123.db2.gz XLFKFZRPTLDQSF-LLVKDONJSA-N 1 2 249.358 2.656 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1ccc([C@H](C)O)c[nH+]1 ZINC000136288681 592104773 /nfs/dbraw/zinc/10/47/73/592104773.db2.gz DPYOYCKDWIHPRA-NTZNESFSSA-N 1 2 234.343 2.902 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885979633 592120350 /nfs/dbraw/zinc/12/03/50/592120350.db2.gz IPWQLJQMRFFYPG-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000885979633 592120352 /nfs/dbraw/zinc/12/03/52/592120352.db2.gz IPWQLJQMRFFYPG-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO COC[C@H]([NH2+]Cc1cc(C)co1)c1ccco1 ZINC000886008856 592130408 /nfs/dbraw/zinc/13/04/08/592130408.db2.gz VWJWKKUSAULHAA-LBPRGKRZSA-N 1 2 235.283 2.658 20 0 BFADLO COc1cc[nH+]cc1NCc1cc(C)co1 ZINC000886040677 592139020 /nfs/dbraw/zinc/13/90/20/592139020.db2.gz AJSNAFJLHBQDST-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CC[N@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052466 592141240 /nfs/dbraw/zinc/14/12/40/592141240.db2.gz RAKOWYAFERGFRN-HIFRSBDPSA-N 1 2 231.339 2.940 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052466 592141241 /nfs/dbraw/zinc/14/12/41/592141241.db2.gz RAKOWYAFERGFRN-HIFRSBDPSA-N 1 2 231.339 2.940 20 0 BFADLO FC1=CCC[N@H+](CCOC2CCCCC2)C1 ZINC000886102796 592155040 /nfs/dbraw/zinc/15/50/40/592155040.db2.gz QPWNLVNYFNLKCJ-UHFFFAOYSA-N 1 2 227.323 2.895 20 0 BFADLO FC1=CCC[N@@H+](CCOC2CCCCC2)C1 ZINC000886102796 592155042 /nfs/dbraw/zinc/15/50/42/592155042.db2.gz QPWNLVNYFNLKCJ-UHFFFAOYSA-N 1 2 227.323 2.895 20 0 BFADLO FCC(CF)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886130038 592159895 /nfs/dbraw/zinc/15/98/95/592159895.db2.gz UIJOIDYZGRODKY-DUXPYHPUSA-N 1 2 229.245 2.736 20 0 BFADLO Cc1coc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000886136383 592160473 /nfs/dbraw/zinc/16/04/73/592160473.db2.gz MOBMRUOQKCKUME-PWSUYJOCSA-N 1 2 231.299 2.580 20 0 BFADLO Cc1n[nH]c(C[NH2+]CC(F)(F)C(C)(C)C)c1C ZINC000886164876 592167250 /nfs/dbraw/zinc/16/72/50/592167250.db2.gz WLWCGMCNFZDWAK-UHFFFAOYSA-N 1 2 245.317 2.798 20 0 BFADLO Cc1coc(C[NH2+]C2(c3ncccn3)CCC2)c1 ZINC000886188754 592172589 /nfs/dbraw/zinc/17/25/89/592172589.db2.gz ZUEAVDLBFBQTQT-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)sn1 ZINC000886268949 592191048 /nfs/dbraw/zinc/19/10/48/592191048.db2.gz GMZVUNRNKGASDL-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO COCc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886273593 592193663 /nfs/dbraw/zinc/19/36/63/592193663.db2.gz CIQNWLPNCFMQFC-LLVKDONJSA-N 1 2 246.310 2.672 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886276190 592195450 /nfs/dbraw/zinc/19/54/50/592195450.db2.gz ZZEXCLOHGKNNCI-NSHDSACASA-N 1 2 216.284 2.834 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1F)c1ncco1 ZINC000886275634 592195465 /nfs/dbraw/zinc/19/54/65/592195465.db2.gz HLMBUDUHAOUQFB-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO C[C@@H]([NH2+]Cc1ccsc1)c1ncco1 ZINC000886275736 592195513 /nfs/dbraw/zinc/19/55/13/592195513.db2.gz KNOGZZPJPJEKQK-MRVPVSSYSA-N 1 2 208.286 2.587 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ncco1 ZINC000886275555 592195854 /nfs/dbraw/zinc/19/58/54/592195854.db2.gz DNSOQZANYQMUQC-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344450 592212492 /nfs/dbraw/zinc/21/24/92/592212492.db2.gz FEQCBLSSGRMPOF-TXEJJXNPSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344450 592212493 /nfs/dbraw/zinc/21/24/93/592212493.db2.gz FEQCBLSSGRMPOF-TXEJJXNPSA-N 1 2 247.342 2.569 20 0 BFADLO Cc1ccc([N@H+](CCCO)CC2CC2)cc1 ZINC000886424900 592225094 /nfs/dbraw/zinc/22/50/94/592225094.db2.gz JNTCIBCSTHLPIB-UHFFFAOYSA-N 1 2 219.328 2.594 20 0 BFADLO Cc1ccc([N@@H+](CCCO)CC2CC2)cc1 ZINC000886424900 592225096 /nfs/dbraw/zinc/22/50/96/592225096.db2.gz JNTCIBCSTHLPIB-UHFFFAOYSA-N 1 2 219.328 2.594 20 0 BFADLO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000886629798 592282827 /nfs/dbraw/zinc/28/28/27/592282827.db2.gz NVNVHFUAFMHQRR-AEJSXWLSSA-N 1 2 239.281 2.875 20 0 BFADLO C[C@H]([NH2+]Cc1cscc1Cl)c1ncc[nH]1 ZINC000886658055 592292069 /nfs/dbraw/zinc/29/20/69/592292069.db2.gz NRWXYLDGLGBWOH-ZETCQYMHSA-N 1 2 241.747 2.975 20 0 BFADLO COC1CC(Nc2ccc([NH+](C)C)cc2C)C1 ZINC000220382319 592309691 /nfs/dbraw/zinc/30/96/91/592309691.db2.gz PQSMRUQJTWCATI-UHFFFAOYSA-N 1 2 234.343 2.650 20 0 BFADLO COC1CC([NH2+]c2ccc(N(C)C)cc2C)C1 ZINC000220382319 592309693 /nfs/dbraw/zinc/30/96/93/592309693.db2.gz PQSMRUQJTWCATI-UHFFFAOYSA-N 1 2 234.343 2.650 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102399 592442721 /nfs/dbraw/zinc/44/27/21/592442721.db2.gz OIUWFOKVCFOGAS-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102399 592442724 /nfs/dbraw/zinc/44/27/24/592442724.db2.gz OIUWFOKVCFOGAS-GFCCVEGCSA-N 1 2 249.345 2.903 20 0 BFADLO C[C@H]1CC[C@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102648 592443776 /nfs/dbraw/zinc/44/37/76/592443776.db2.gz ZAMPLGQQJNDQKX-GXSJLCMTSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@H]1CC[C@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102648 592443779 /nfs/dbraw/zinc/44/37/79/592443779.db2.gz ZAMPLGQQJNDQKX-GXSJLCMTSA-N 1 2 233.302 2.674 20 0 BFADLO CCCCc1noc([C@@H](C)[N@H+](C)CCCF)n1 ZINC000887137664 592452894 /nfs/dbraw/zinc/45/28/94/592452894.db2.gz PJZAEOAWDMLVQX-SNVBAGLBSA-N 1 2 243.326 2.765 20 0 BFADLO CCCCc1noc([C@@H](C)[N@@H+](C)CCCF)n1 ZINC000887137664 592452899 /nfs/dbraw/zinc/45/28/99/592452899.db2.gz PJZAEOAWDMLVQX-SNVBAGLBSA-N 1 2 243.326 2.765 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000887877405 592556099 /nfs/dbraw/zinc/55/60/99/592556099.db2.gz BZRFAWIENGNJPF-LDYMZIIASA-N 1 2 233.315 2.571 20 0 BFADLO c1csc(C[NH2+][C@H]2CCCc3[nH]ncc32)c1 ZINC000335603212 634496793 /nfs/dbraw/zinc/49/67/93/634496793.db2.gz UWFIKODUYGCPOD-NSHDSACASA-N 1 2 233.340 2.638 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000925826371 635433878 /nfs/dbraw/zinc/43/38/78/635433878.db2.gz NPRUDMPISAJSON-SNVBAGLBSA-N 1 2 243.310 2.718 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C)o2)s1 ZINC000230635677 635491232 /nfs/dbraw/zinc/49/12/32/635491232.db2.gz QMSCKEPERCKNQH-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1ccc(F)nc1 ZINC000232773847 635518005 /nfs/dbraw/zinc/51/80/05/635518005.db2.gz JLGMFDQRRGRGIZ-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO Cc1nc(NCc2csc(C3CC3)n2)cc[nH+]1 ZINC000078250205 631303731 /nfs/dbraw/zinc/30/37/31/631303731.db2.gz MRRFFIHOJBSJRD-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO Cc1ccc(CNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000121571309 631490006 /nfs/dbraw/zinc/49/00/06/631490006.db2.gz YSSNKSHZRLHPPM-UHFFFAOYSA-N 1 2 243.266 2.910 20 0 BFADLO Cc1ncoc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000894119701 635673244 /nfs/dbraw/zinc/67/32/44/635673244.db2.gz HQZNPCPSOOEPKV-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(N(C)C)cc1 ZINC000309135327 631903652 /nfs/dbraw/zinc/90/36/52/631903652.db2.gz SADCINGFUGPCFY-QWRGUYRKSA-N 1 2 204.317 2.821 20 0 BFADLO CC[C@H]1CCC[N@H+](Cn2ncsc2=S)C1 ZINC000126261153 635724053 /nfs/dbraw/zinc/72/40/53/635724053.db2.gz DMUFGXLFKSIUOC-VIFPVBQESA-N 1 2 243.401 2.754 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cn2ncsc2=S)C1 ZINC000126261153 635724066 /nfs/dbraw/zinc/72/40/66/635724066.db2.gz DMUFGXLFKSIUOC-VIFPVBQESA-N 1 2 243.401 2.754 20 0 BFADLO Cc1ccccc1Cc1noc([C@@H](C)[NH+](C)C)n1 ZINC000923774164 632605462 /nfs/dbraw/zinc/60/54/62/632605462.db2.gz UMFPYYMHOWUTDP-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N(C)C)cc1 ZINC000309135325 632645119 /nfs/dbraw/zinc/64/51/19/632645119.db2.gz SADCINGFUGPCFY-GHMZBOCLSA-N 1 2 204.317 2.821 20 0 BFADLO Cc1ccnc(C[NH2+][C@@H](C)c2ccsc2)n1 ZINC000309752981 632663997 /nfs/dbraw/zinc/66/39/97/632663997.db2.gz HCUCOSJWMJMQIS-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ncco1 ZINC000926785474 633063581 /nfs/dbraw/zinc/06/35/81/633063581.db2.gz LKAZZIZJAIUVTH-LPEHRKFASA-N 1 2 212.268 2.606 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000924589994 633103638 /nfs/dbraw/zinc/10/36/38/633103638.db2.gz MSMJEMIRDJDMCG-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C)c(OC)c1 ZINC000309482641 633159350 /nfs/dbraw/zinc/15/93/50/633159350.db2.gz ZXPFDVYHCBBKQY-MWLCHTKSSA-N 1 2 221.300 2.914 20 0 BFADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C)c(OC)c1 ZINC000309482642 633160044 /nfs/dbraw/zinc/16/00/44/633160044.db2.gz ZXPFDVYHCBBKQY-ONGXEEELSA-N 1 2 221.300 2.914 20 0 BFADLO CC(C)C[C@H]1CCN(c2nccn3c[nH+]cc23)C1 ZINC000892750094 633215919 /nfs/dbraw/zinc/21/59/19/633215919.db2.gz TVUNBJFACLCVLP-GFCCVEGCSA-N 1 2 244.342 2.602 20 0 BFADLO Cc1cc(NCC(F)F)nc(C2CCC2)[nH+]1 ZINC000892751045 633217891 /nfs/dbraw/zinc/21/78/91/633217891.db2.gz QYGIWSWKNINANF-UHFFFAOYSA-N 1 2 227.258 2.730 20 0 BFADLO Cc1nc(F)ccc1CNc1cccc[nH+]1 ZINC000309698449 633229353 /nfs/dbraw/zinc/22/93/53/633229353.db2.gz LUGFCGXZGHMBJG-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO FC(F)[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000307311438 635984876 /nfs/dbraw/zinc/98/48/76/635984876.db2.gz GEOWVZAUGGHIGF-NPQKIFFKSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000307311438 635984880 /nfs/dbraw/zinc/98/48/80/635984880.db2.gz GEOWVZAUGGHIGF-NPQKIFFKSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000307311444 635985331 /nfs/dbraw/zinc/98/53/31/635985331.db2.gz GEOWVZAUGGHIGF-PJGJZCPTSA-N 1 2 230.085 2.892 20 0 BFADLO FC(F)[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000307311444 635985332 /nfs/dbraw/zinc/98/53/32/635985332.db2.gz GEOWVZAUGGHIGF-PJGJZCPTSA-N 1 2 230.085 2.892 20 0 BFADLO CCS[C@H](C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350603416 636139719 /nfs/dbraw/zinc/13/97/19/636139719.db2.gz YIIPKHOPKKVMBY-JGVFFNPUSA-N 1 2 229.349 2.506 20 0 BFADLO CC1(c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)CC1 ZINC000924086975 633786283 /nfs/dbraw/zinc/78/62/83/633786283.db2.gz FKYQQGIBDMJMIL-NSHDSACASA-N 1 2 247.342 2.811 20 0 BFADLO CC1(c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)CC1 ZINC000924086975 633786288 /nfs/dbraw/zinc/78/62/88/633786288.db2.gz FKYQQGIBDMJMIL-NSHDSACASA-N 1 2 247.342 2.811 20 0 BFADLO Cc1cc(NCCOC(C)C)nc(C2CCC2)[nH+]1 ZINC000893160155 633855661 /nfs/dbraw/zinc/85/56/61/633855661.db2.gz NICRLSWCDJVPRC-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1ccc(C[NH2+][C@H]2CCCc3[nH]ncc32)cc1 ZINC000336513801 635170203 /nfs/dbraw/zinc/17/02/03/635170203.db2.gz PZTNXKLTPMTCSB-AWEZNQCLSA-N 1 2 241.338 2.885 20 0 BFADLO C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)[C@@H]1C ZINC000752087072 636553827 /nfs/dbraw/zinc/55/38/27/636553827.db2.gz CDFMBMWGOPAFOU-RNFRBKRXSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)[C@@H]1C ZINC000752087072 636553829 /nfs/dbraw/zinc/55/38/29/636553829.db2.gz CDFMBMWGOPAFOU-RNFRBKRXSA-N 1 2 213.218 2.617 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1C ZINC000897417743 636624086 /nfs/dbraw/zinc/62/40/86/636624086.db2.gz VXZXECDPCYRCKX-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO C[C@@H]1C[C@@H]1CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000863470466 636714474 /nfs/dbraw/zinc/71/44/74/636714474.db2.gz BNHYVGJVGOJVTR-MWLCHTKSSA-N 1 2 236.290 2.523 20 0 BFADLO CC(C)(C)c1cn(CCCc2cnoc2)c[nH+]1 ZINC000865376193 636811812 /nfs/dbraw/zinc/81/18/12/636811812.db2.gz DDKZXMBXASIRND-UHFFFAOYSA-N 1 2 233.315 2.801 20 0 BFADLO C[C@H](c1nc([C@H](C)C(C)(C)C)no1)[NH+](C)C ZINC000923901939 637077486 /nfs/dbraw/zinc/07/74/86/637077486.db2.gz YKOIUHCRVSLPKE-DTWKUNHWSA-N 1 2 225.336 2.842 20 0 BFADLO CC/C(C)=C\c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904267707 637395731 /nfs/dbraw/zinc/39/57/31/637395731.db2.gz HIOKLAAMXJAXKJ-YVMONPNESA-N 1 2 244.298 2.836 20 0 BFADLO C[C@@H](O)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904848223 637504288 /nfs/dbraw/zinc/50/42/88/637504288.db2.gz ACDFDYLRKZROQK-LLVKDONJSA-N 1 2 242.322 2.868 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)ccc1CO ZINC000904850347 637506634 /nfs/dbraw/zinc/50/66/34/637506634.db2.gz WCTIXHFZVKWAHX-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO Cc1[nH]cc(-c2ccc3c(c2C)CCO3)[nH+]1 ZINC000904861203 637510802 /nfs/dbraw/zinc/51/08/02/637510802.db2.gz GBISSUYMHJZODE-UHFFFAOYSA-N 1 2 214.268 2.628 20 0 BFADLO Cc1ccc(C[S@](=O)C/C=C/Cl)c(C)[nH+]1 ZINC000905196525 637672981 /nfs/dbraw/zinc/67/29/81/637672981.db2.gz ULDFOTFVJKHJAM-YFCVBGDOSA-N 1 2 243.759 2.700 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccccc2O)n1C ZINC000906168960 638083121 /nfs/dbraw/zinc/08/31/21/638083121.db2.gz PRSPXELJIACKBE-UHFFFAOYSA-N 1 2 216.284 2.916 20 0 BFADLO CCN(CC1CC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906655919 638227961 /nfs/dbraw/zinc/22/79/61/638227961.db2.gz WXSGJRUFLUSVIZ-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000906897301 638273853 /nfs/dbraw/zinc/27/38/53/638273853.db2.gz CAASVAJPUJYCSW-TVQRCGJNSA-N 1 2 246.354 2.877 20 0 BFADLO CCC1(C)CN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000908319754 638642671 /nfs/dbraw/zinc/64/26/71/638642671.db2.gz WZILOYJREZVXSU-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000924828270 639300683 /nfs/dbraw/zinc/30/06/83/639300683.db2.gz ZLCUPPVYKZNKIS-JTQLQIEISA-N 1 2 248.330 2.611 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CC3CCC2CC3)no1 ZINC000930242547 639649137 /nfs/dbraw/zinc/64/91/37/639649137.db2.gz YRTQYQUTYKIDGN-WXRRBKDZSA-N 1 2 249.358 2.636 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CC3CCC2CC3)no1 ZINC000930242547 639649145 /nfs/dbraw/zinc/64/91/45/639649145.db2.gz YRTQYQUTYKIDGN-WXRRBKDZSA-N 1 2 249.358 2.636 20 0 BFADLO Cc1nnsc1[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC000930291766 639685616 /nfs/dbraw/zinc/68/56/16/639685616.db2.gz ARTXIWTVLRIXMG-MRVPVSSYSA-N 1 2 247.314 2.639 20 0 BFADLO Fc1cncc(F)c1C[N@@H+]1CCC12CCCC2 ZINC000930845899 639945121 /nfs/dbraw/zinc/94/51/21/639945121.db2.gz QGYZIIRJXIZIDG-UHFFFAOYSA-N 1 2 238.281 2.878 20 0 BFADLO Fc1cncc(F)c1C[N@H+]1CCC12CCCC2 ZINC000930845899 639945127 /nfs/dbraw/zinc/94/51/27/639945127.db2.gz QGYZIIRJXIZIDG-UHFFFAOYSA-N 1 2 238.281 2.878 20 0 BFADLO Cc1nnc(C[N@H+](C)CCCC(C)(F)F)s1 ZINC000931071913 640059235 /nfs/dbraw/zinc/05/92/35/640059235.db2.gz PVJQUCBSKIHAAR-UHFFFAOYSA-N 1 2 249.330 2.714 20 0 BFADLO Cc1nnc(C[N@@H+](C)CCCC(C)(F)F)s1 ZINC000931071913 640059239 /nfs/dbraw/zinc/05/92/39/640059239.db2.gz PVJQUCBSKIHAAR-UHFFFAOYSA-N 1 2 249.330 2.714 20 0 BFADLO c1coc(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000931450046 640210079 /nfs/dbraw/zinc/21/00/79/640210079.db2.gz MQXLGLPCCZGSDQ-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO CCCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000931954424 640399623 /nfs/dbraw/zinc/39/96/23/640399623.db2.gz ROWIZOYTXIGQJG-UHFFFAOYSA-N 1 2 243.310 2.578 20 0 BFADLO CC1(CCC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000932615172 640584692 /nfs/dbraw/zinc/58/46/92/640584692.db2.gz IJMUMSLLBVTPFC-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(=O)[C@H]2C)c(C)c1 ZINC000932847295 640618217 /nfs/dbraw/zinc/61/82/17/640618217.db2.gz ACBJJYDJMVFDBG-CYBMUJFWSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(=O)[C@H]2C)c(C)c1 ZINC000932847295 640618230 /nfs/dbraw/zinc/61/82/30/640618230.db2.gz ACBJJYDJMVFDBG-CYBMUJFWSA-N 1 2 231.339 2.857 20 0 BFADLO Cc1csc(C[NH2+][C@H]2CCc3cccnc32)n1 ZINC000226815850 640794033 /nfs/dbraw/zinc/79/40/33/640794033.db2.gz IGWWHELCSCFXAY-NSHDSACASA-N 1 2 245.351 2.624 20 0 BFADLO Cc1nc(C[NH2+][C@@H]2CCc3cccnc32)cs1 ZINC000226816588 640794370 /nfs/dbraw/zinc/79/43/70/640794370.db2.gz WKIJBMZSQUPRNA-GFCCVEGCSA-N 1 2 245.351 2.624 20 0 BFADLO Fc1cncc(C[N@H+](Cc2ccoc2)C2CC2)c1 ZINC000934005879 640806145 /nfs/dbraw/zinc/80/61/45/640806145.db2.gz URTKXRPUIRHNFP-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1cncc(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000934005879 640806150 /nfs/dbraw/zinc/80/61/50/640806150.db2.gz URTKXRPUIRHNFP-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO C[C@H](O)c1ccc(CNc2cccc[nH+]2)cc1 ZINC000171830908 641015350 /nfs/dbraw/zinc/01/53/50/641015350.db2.gz AGHVKPXPIQIDMQ-NSHDSACASA-N 1 2 228.295 2.747 20 0 BFADLO CC(C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935042003 641322474 /nfs/dbraw/zinc/32/24/74/641322474.db2.gz UVRXXKUJGXLRCX-SNVBAGLBSA-N 1 2 245.326 2.727 20 0 BFADLO CCS[C@@H](C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350603417 641372014 /nfs/dbraw/zinc/37/20/14/641372014.db2.gz YIIPKHOPKKVMBY-YUMQZZPRSA-N 1 2 229.349 2.506 20 0 BFADLO C[N@H+](Cc1ccon1)Cc1ccccc1CF ZINC000929697787 641404364 /nfs/dbraw/zinc/40/43/64/641404364.db2.gz VDBWBSXIHZJPFU-UHFFFAOYSA-N 1 2 234.274 2.776 20 0 BFADLO C[N@@H+](Cc1ccon1)Cc1ccccc1CF ZINC000929697787 641404368 /nfs/dbraw/zinc/40/43/68/641404368.db2.gz VDBWBSXIHZJPFU-UHFFFAOYSA-N 1 2 234.274 2.776 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CC23CCC3)c(C)[nH+]1 ZINC000913812889 641486210 /nfs/dbraw/zinc/48/62/10/641486210.db2.gz YTEWWTSXKGBNEO-GFCCVEGCSA-N 1 2 244.338 2.679 20 0 BFADLO Cc1ccc(NC(=O)CCC2CC2)c(N(C)C)[nH+]1 ZINC000152738249 641640844 /nfs/dbraw/zinc/64/08/44/641640844.db2.gz MZECXDBQBLSMDB-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1ccc(NC(=O)C2CCCC2)c(N(C)C)[nH+]1 ZINC000152858442 641658060 /nfs/dbraw/zinc/65/80/60/641658060.db2.gz SRKASULWFWFEPJ-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO CCC[N@H+](C/C=C/Cl)[C@@H](CC)C(=O)OCC ZINC000190351462 641861074 /nfs/dbraw/zinc/86/10/74/641861074.db2.gz LAHDMQSLUKGXOT-AEZGRPFRSA-N 1 2 247.766 2.793 20 0 BFADLO CCC[N@@H+](C/C=C/Cl)[C@@H](CC)C(=O)OCC ZINC000190351462 641861076 /nfs/dbraw/zinc/86/10/76/641861076.db2.gz LAHDMQSLUKGXOT-AEZGRPFRSA-N 1 2 247.766 2.793 20 0 BFADLO c1[nH+]c(SCCOC2CC2)n2ccccc12 ZINC000916103251 641904536 /nfs/dbraw/zinc/90/45/36/641904536.db2.gz HAUROLLGWYLXCB-UHFFFAOYSA-N 1 2 234.324 2.605 20 0 BFADLO Cl/C=C/C[N@@H+]1CCOc2ccccc2C1 ZINC000917087089 642006411 /nfs/dbraw/zinc/00/64/11/642006411.db2.gz QCNPUQAJKBMIGC-ZZXKWVIFSA-N 1 2 223.703 2.634 20 0 BFADLO Cl/C=C/C[N@H+]1CCOc2ccccc2C1 ZINC000917087089 642006415 /nfs/dbraw/zinc/00/64/15/642006415.db2.gz QCNPUQAJKBMIGC-ZZXKWVIFSA-N 1 2 223.703 2.634 20 0 BFADLO CCn1c[nH+]c2c1CCN(Cc1cccs1)C2 ZINC000933256414 642426249 /nfs/dbraw/zinc/42/62/49/642426249.db2.gz CNLCEQOSRWLAQP-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CNc1cc(N[C@@H](C)Cc2ccsc2)[nH+]cn1 ZINC000130883120 642844964 /nfs/dbraw/zinc/84/49/64/642844964.db2.gz IUVJAXMVQYMOOV-VIFPVBQESA-N 1 2 248.355 2.623 20 0 BFADLO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353684969 642924679 /nfs/dbraw/zinc/92/46/79/642924679.db2.gz HZCIVYMSHZYAED-APPZFPTMSA-N 1 2 247.264 2.718 20 0 BFADLO CC[C@H](COC)Nc1ccc([NH+](C)C)cc1 ZINC000070623894 643051011 /nfs/dbraw/zinc/05/10/11/643051011.db2.gz CWKCEDVEDBYGQU-LLVKDONJSA-N 1 2 222.332 2.590 20 0 BFADLO C/C=C\COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000255130941 643475082 /nfs/dbraw/zinc/47/50/82/643475082.db2.gz GRVHACJENRYXPI-KXQLTZBTSA-N 1 2 247.338 2.799 20 0 BFADLO C/C=C\COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000255130941 643475085 /nfs/dbraw/zinc/47/50/85/643475085.db2.gz GRVHACJENRYXPI-KXQLTZBTSA-N 1 2 247.338 2.799 20 0 BFADLO C[C@@H]1C(=O)CCC[N@H+]1C[C@@H]1CCCCC1(F)F ZINC000932843853 643521535 /nfs/dbraw/zinc/52/15/35/643521535.db2.gz ADLPACLINSVPKT-MNOVXSKESA-N 1 2 245.313 2.865 20 0 BFADLO C[C@@H]1C(=O)CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000932843853 643521544 /nfs/dbraw/zinc/52/15/44/643521544.db2.gz ADLPACLINSVPKT-MNOVXSKESA-N 1 2 245.313 2.865 20 0 BFADLO CC(C)(C)c1coc(CNc2cccc[nH+]2)n1 ZINC000921561705 643611409 /nfs/dbraw/zinc/61/14/09/643611409.db2.gz FQAPFNHFRJSMSN-UHFFFAOYSA-N 1 2 231.299 2.979 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)c2ncco2)c(C)c1 ZINC000922339140 643976609 /nfs/dbraw/zinc/97/66/09/643976609.db2.gz VWZCARUXZMXQJS-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922483748 644001633 /nfs/dbraw/zinc/00/16/33/644001633.db2.gz BNNSWGNRHDMYQL-MNOVXSKESA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922484125 644002528 /nfs/dbraw/zinc/00/25/28/644002528.db2.gz IXTJMTMMSNHBMT-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922483750 644002649 /nfs/dbraw/zinc/00/26/49/644002649.db2.gz BNNSWGNRHDMYQL-WDEREUQCSA-N 1 2 248.326 2.533 20 0 BFADLO CC1(C)CC[C@@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922597588 644040817 /nfs/dbraw/zinc/04/08/17/644040817.db2.gz QTIVZCJSODEDSG-SNVBAGLBSA-N 1 2 248.326 2.533 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)OCc1ccc[nH+]c1N ZINC000922623440 644042377 /nfs/dbraw/zinc/04/23/77/644042377.db2.gz HKMXJAWUUIHQPH-NTMALXAHSA-N 1 2 248.326 2.699 20 0 BFADLO CC(C)(CC(=O)OCc1ccc(N)[nH+]c1)C1CC1 ZINC000922766100 644089400 /nfs/dbraw/zinc/08/94/00/644089400.db2.gz LACXXJVZHYVZCJ-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)(CC(=O)OCc1ccc[nH+]c1N)C1CC1 ZINC000922766572 644091009 /nfs/dbraw/zinc/09/10/09/644091009.db2.gz RTUJDIAFUFJEAD-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@]1(C)C(=O)OCc1ccc[nH+]c1N ZINC000922771066 644092863 /nfs/dbraw/zinc/09/28/63/644092863.db2.gz WPVGMMCOGIQRPD-HZMBPMFUSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C)(C(=O)OCc1ccc[nH+]c1N)C1CCC1 ZINC000922782900 644095888 /nfs/dbraw/zinc/09/58/88/644095888.db2.gz KZSVKERRYMQPES-UHFFFAOYSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922808535 644101179 /nfs/dbraw/zinc/10/11/79/644101179.db2.gz ALWXNKXTTVQVIJ-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(F)cc1 ZINC000086453755 644138732 /nfs/dbraw/zinc/13/87/32/644138732.db2.gz WPQWUOAFVIWCKZ-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C=C3CCC3)cc2[nH+]1 ZINC000755094340 644616723 /nfs/dbraw/zinc/61/67/23/644616723.db2.gz LBJIBNJWACWUIG-UHFFFAOYSA-N 1 2 241.294 2.920 20 0 BFADLO Cc1ccc(N[C@H](C)c2cnccn2)c(C)[nH+]1 ZINC000094664057 644722665 /nfs/dbraw/zinc/72/26/65/644722665.db2.gz UHCTUBYHZNJWQU-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO CC(C)=C(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458034 644984070 /nfs/dbraw/zinc/98/40/70/644984070.db2.gz APQNGBCZTSZTSK-UHFFFAOYSA-N 1 2 232.327 2.671 20 0 BFADLO CCC/C=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817618644 644989534 /nfs/dbraw/zinc/98/95/34/644989534.db2.gz AKIVJUOPYXVBAM-VOTSOKGWSA-N 1 2 232.327 2.671 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(F)cc2)co1 ZINC000825050456 645060885 /nfs/dbraw/zinc/06/08/85/645060885.db2.gz MVGYZRNQASIJDN-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ncco1 ZINC000926587379 645302311 /nfs/dbraw/zinc/30/23/11/645302311.db2.gz LKAZZIZJAIUVTH-IVZWLZJFSA-N 1 2 212.268 2.606 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)c2ncco2)c1C ZINC000926733929 645392671 /nfs/dbraw/zinc/39/26/71/645392671.db2.gz OXZUJXSEETUWIY-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930244540 645519952 /nfs/dbraw/zinc/51/99/52/645519952.db2.gz NWFMVWDFDMEWKY-JEZHCXPESA-N 1 2 243.351 2.587 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930244540 645519958 /nfs/dbraw/zinc/51/99/58/645519958.db2.gz NWFMVWDFDMEWKY-JEZHCXPESA-N 1 2 243.351 2.587 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccoc1 ZINC000927112171 645551966 /nfs/dbraw/zinc/55/19/66/645551966.db2.gz LBEXQBNDIRZHAS-JTQLQIEISA-N 1 2 245.326 2.741 20 0 BFADLO c1nnc(C[N@@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000929106026 645945719 /nfs/dbraw/zinc/94/57/19/645945719.db2.gz DJUDHZOAAWPXIU-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1nnc(C[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000929106026 645945727 /nfs/dbraw/zinc/94/57/27/645945727.db2.gz DJUDHZOAAWPXIU-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO CCC(CC)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000923883732 645959873 /nfs/dbraw/zinc/95/98/73/645959873.db2.gz LTWTVDVDUQSOJN-NXEZZACHSA-N 1 2 246.314 2.967 20 0 BFADLO C[C@H](c1nc([C@H]2CCCCS2)no1)[NH+](C)C ZINC000923965279 645967296 /nfs/dbraw/zinc/96/72/96/645967296.db2.gz MKKODMBTXBCFOL-RKDXNWHRSA-N 1 2 241.360 2.650 20 0 BFADLO C[C@H](c1nc([C@@H]2CCCCS2)no1)[NH+](C)C ZINC000923965276 645967921 /nfs/dbraw/zinc/96/79/21/645967921.db2.gz MKKODMBTXBCFOL-BDAKNGLRSA-N 1 2 241.360 2.650 20 0 BFADLO CC[C@H](C)Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924152486 645997976 /nfs/dbraw/zinc/99/79/76/645997976.db2.gz MZPUJOWJMPUGJH-IVZWLZJFSA-N 1 2 246.314 2.652 20 0 BFADLO CCCCC1(C(=O)OCc2ccc[nH+]c2N)CC1 ZINC000924426461 646034889 /nfs/dbraw/zinc/03/48/89/646034889.db2.gz QWSZEIKLEBZCLF-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO C[C@H]([NH2+]C1CC1)C(F)(F)c1ccccc1 ZINC000924531283 646050949 /nfs/dbraw/zinc/05/09/49/646050949.db2.gz LVXQVRDOVXEFMB-VIFPVBQESA-N 1 2 211.255 2.919 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000924548471 646063511 /nfs/dbraw/zinc/06/35/11/646063511.db2.gz FZSVKYAEBWXZTE-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccoc2C)o1 ZINC000929334745 646085562 /nfs/dbraw/zinc/08/55/62/646085562.db2.gz FURXCYAWEZOWGQ-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000929334745 646085566 /nfs/dbraw/zinc/08/55/66/646085566.db2.gz FURXCYAWEZOWGQ-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1cccn1C ZINC000929832750 646349474 /nfs/dbraw/zinc/34/94/74/646349474.db2.gz GAKRLUVDPGXFNE-UHFFFAOYSA-N 1 2 247.342 2.516 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1cccn1C ZINC000929832750 646349477 /nfs/dbraw/zinc/34/94/77/646349477.db2.gz GAKRLUVDPGXFNE-UHFFFAOYSA-N 1 2 247.342 2.516 20 0 BFADLO c1nnc(C[NH2+]C2(c3ccccc3)CCC2)s1 ZINC000929864599 646362802 /nfs/dbraw/zinc/36/28/02/646362802.db2.gz CNNJUMCZWALFAK-UHFFFAOYSA-N 1 2 245.351 2.707 20 0 BFADLO C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1ncco1 ZINC000925646463 646387157 /nfs/dbraw/zinc/38/71/57/646387157.db2.gz VDKBQPSGNAKNLS-GXFFZTMASA-N 1 2 243.310 2.872 20 0 BFADLO CC(C)(C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930174413 646476040 /nfs/dbraw/zinc/47/60/40/646476040.db2.gz ZOHDFJIPFIYIEX-UHFFFAOYSA-N 1 2 245.326 2.729 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)CCS1 ZINC000725630716 711667578 /nfs/dbraw/zinc/66/75/78/711667578.db2.gz QHXIATPHOOVRGM-ZJUUUORDSA-N 1 2 208.330 2.778 20 0 BFADLO COC(C)(C)C[N@H+](C)C/C(Cl)=C\Cl ZINC000394386059 711687012 /nfs/dbraw/zinc/68/70/12/711687012.db2.gz WIDODZXRCNBIKS-VMPITWQZSA-N 1 2 226.147 2.662 20 0 BFADLO COC(C)(C)C[N@@H+](C)C/C(Cl)=C\Cl ZINC000394386059 711687014 /nfs/dbraw/zinc/68/70/14/711687014.db2.gz WIDODZXRCNBIKS-VMPITWQZSA-N 1 2 226.147 2.662 20 0 BFADLO Cn1cc(C(C)(C)[NH2+]C/C(Cl)=C\Cl)cn1 ZINC000380000357 712651658 /nfs/dbraw/zinc/65/16/58/712651658.db2.gz MIGNIIVFPNNMDE-RUDMXATFSA-N 1 2 248.157 2.564 20 0 BFADLO COCC(C)(C)CCNc1[nH+]cccc1OC ZINC000718770937 712782063 /nfs/dbraw/zinc/78/20/63/712782063.db2.gz AGQFKBAHUSJIPG-UHFFFAOYSA-N 1 2 238.331 2.565 20 0 BFADLO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)cs1 ZINC000386365151 711028171 /nfs/dbraw/zinc/02/81/71/711028171.db2.gz OVNNMWPYTUKWCN-UHFFFAOYSA-N 1 2 249.364 2.675 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)C(F)F ZINC000389928231 711098899 /nfs/dbraw/zinc/09/88/99/711098899.db2.gz XYZQORUTJZEAFA-VIFPVBQESA-N 1 2 243.297 2.657 20 0 BFADLO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000395343154 711208220 /nfs/dbraw/zinc/20/82/20/711208220.db2.gz ZSRXSSIPMFXFPG-IJLUTSLNSA-N 1 2 241.375 2.741 20 0 BFADLO C[NH+](C)c1ccc(N[C@H]2COC(C)(C)C2)cc1 ZINC000396841102 711371373 /nfs/dbraw/zinc/37/13/73/711371373.db2.gz CBWRUPJZPIYONI-GFCCVEGCSA-N 1 2 234.343 2.732 20 0 BFADLO Nc1ccc(COc2ccc3c(c2)CCC3)c[nH+]1 ZINC000050832661 711503634 /nfs/dbraw/zinc/50/36/34/711503634.db2.gz RKJOBVQWYNPECT-UHFFFAOYSA-N 1 2 240.306 2.732 20 0 BFADLO c1ccc(NCc2nc3c(s2)CCC3)[nH+]c1 ZINC000093063864 711714813 /nfs/dbraw/zinc/71/48/13/711714813.db2.gz FRKNJXZRKBYINL-UHFFFAOYSA-N 1 2 231.324 2.639 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)cc1 ZINC000067647660 711741551 /nfs/dbraw/zinc/74/15/51/711741551.db2.gz GCVVLENYIZPCJY-AATRIKPKSA-N 1 2 232.670 2.959 20 0 BFADLO CC(C)OCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919128366 711878038 /nfs/dbraw/zinc/87/80/38/711878038.db2.gz XXSWBOVZYFWYCA-UHFFFAOYSA-N 1 2 244.338 2.899 20 0 BFADLO COc1cncc(CNc2ccc(C)[nH+]c2C)c1 ZINC000700051305 711985063 /nfs/dbraw/zinc/98/50/63/711985063.db2.gz HVPIPMRMHLYEQN-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@H](C[N@H+](CCO)CC(F)F)CC(C)(C)C ZINC000709168021 712196432 /nfs/dbraw/zinc/19/64/32/712196432.db2.gz SBGQNKZXEDWDKV-JTQLQIEISA-N 1 2 237.334 2.618 20 0 BFADLO C[C@H](C[N@@H+](CCO)CC(F)F)CC(C)(C)C ZINC000709168021 712196433 /nfs/dbraw/zinc/19/64/33/712196433.db2.gz SBGQNKZXEDWDKV-JTQLQIEISA-N 1 2 237.334 2.618 20 0 BFADLO Cc1[nH]c(CNc2ccc3c(c2)CCO3)[nH+]c1C ZINC000708980707 712205428 /nfs/dbraw/zinc/20/54/28/712205428.db2.gz IWWILMPFIVLNJV-UHFFFAOYSA-N 1 2 243.310 2.574 20 0 BFADLO Cc1nc(CNc2ccc([NH+](C)C)cc2)[nH]c1C ZINC000709066141 712206815 /nfs/dbraw/zinc/20/68/15/712206815.db2.gz HXTLMFGQKVJGLP-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cn(C)cn1 ZINC000710005250 712239321 /nfs/dbraw/zinc/23/93/21/712239321.db2.gz NTCSCTYYLWHCFE-NSHDSACASA-N 1 2 244.342 2.659 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CC[C@@H](CF)C1 ZINC000711465351 712302222 /nfs/dbraw/zinc/30/22/22/712302222.db2.gz LURWJJAYHCBYOQ-JTQLQIEISA-N 1 2 245.301 2.613 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CCC2(CCC2)O1 ZINC000711453107 712304364 /nfs/dbraw/zinc/30/43/64/712304364.db2.gz JNGOCPVWQONFOH-LLVKDONJSA-N 1 2 248.326 2.604 20 0 BFADLO c1ccc(N[C@H](C2CCC2)[C@H]2CCOC2)[nH+]c1 ZINC000711854007 712336843 /nfs/dbraw/zinc/33/68/43/712336843.db2.gz CJUQKSQTMFOHAP-GXTWGEPZSA-N 1 2 232.327 2.699 20 0 BFADLO c1ccc(N[C@H](C2CCC2)[C@@H]2CCOC2)[nH+]c1 ZINC000711854011 712337055 /nfs/dbraw/zinc/33/70/55/712337055.db2.gz CJUQKSQTMFOHAP-TZMCWYRMSA-N 1 2 232.327 2.699 20 0 BFADLO C=C/C=C/CCNc1[nH+]cccc1OC ZINC000713487794 712462141 /nfs/dbraw/zinc/46/21/41/712462141.db2.gz NUHBJKOWUPSZES-SNAWJCMRSA-N 1 2 204.273 2.634 20 0 BFADLO Cc1nc(NC2CCC=CCC2)cc[nH+]1 ZINC000718019534 712736566 /nfs/dbraw/zinc/73/65/66/712736566.db2.gz OHRRSNFJTZSOSA-UHFFFAOYSA-N 1 2 203.289 2.696 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2ncccc12)C(F)F ZINC000720466900 712844937 /nfs/dbraw/zinc/84/49/37/712844937.db2.gz KQNOBYGHLHOEDM-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO CCC(CC)[C@@H](CC)OCC[NH+]1CCOCC1 ZINC001210206794 957669642 /nfs/dbraw/zinc/66/96/42/957669642.db2.gz JMUJDJBIDVFPGG-CQSZACIVSA-N 1 2 243.391 2.550 20 0 BFADLO [NH2+]=CNc1nc(Cl)cc2ccccc21 ZINC001167863923 961332835 /nfs/dbraw/zinc/33/28/35/961332835.db2.gz ITTARNIHTRBAIY-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CC[C@H](C)Nc1cc(C)[nH+]c(SC)n1 ZINC001157231286 963559212 /nfs/dbraw/zinc/55/92/12/963559212.db2.gz SYHPPACNDDNXAC-ZETCQYMHSA-N 1 2 211.334 2.717 20 0 BFADLO CC(F)(F)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000697576511 964328112 /nfs/dbraw/zinc/32/81/12/964328112.db2.gz BLHQDWSUVRWLFH-JTQLQIEISA-N 1 2 249.688 2.618 20 0 BFADLO CC(C)(O)c1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000697592529 964330830 /nfs/dbraw/zinc/33/08/30/964330830.db2.gz XCCODTVQZMMIQQ-UHFFFAOYSA-N 1 2 243.297 2.659 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NC1CC(F)C1 ZINC001162216948 964877046 /nfs/dbraw/zinc/87/70/46/964877046.db2.gz GJHKEUGLQSMHME-UHFFFAOYSA-N 1 2 224.279 2.781 20 0 BFADLO COc1ccc2[nH+]c(N(C)C)c(C)cc2c1 ZINC001163567656 965454778 /nfs/dbraw/zinc/45/47/78/965454778.db2.gz YZDRNJQJSQUKFT-UHFFFAOYSA-N 1 2 216.284 2.618 20 0 BFADLO Cc1nc(N(C)C)cc(C2CCCCC2)[nH+]1 ZINC001163573049 965458732 /nfs/dbraw/zinc/45/87/32/965458732.db2.gz VFRVTVLVKCWVOK-UHFFFAOYSA-N 1 2 219.332 2.899 20 0 BFADLO Cc1c(F)cc[nH+]c1N1C[C@@H](C)C[C@H]1CF ZINC001164259854 965811143 /nfs/dbraw/zinc/81/11/43/965811143.db2.gz JSKOEQPSWBCPQN-WPRPVWTQSA-N 1 2 226.270 2.713 20 0 BFADLO Cc1cc(N(C)C(C)(C)C)nc(C2CC2)[nH+]1 ZINC001166528719 966286832 /nfs/dbraw/zinc/28/68/32/966286832.db2.gz WAQAWRIUGWCETE-UHFFFAOYSA-N 1 2 219.332 2.897 20 0 BFADLO CCN(c1ccc(C(C)(C)C)c[nH+]1)C1COC1 ZINC001166944118 966470284 /nfs/dbraw/zinc/47/02/84/966470284.db2.gz CPYKUPVWQRKTNW-UHFFFAOYSA-N 1 2 234.343 2.604 20 0 BFADLO CSc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250318592 967683495 /nfs/dbraw/zinc/68/34/95/967683495.db2.gz GSTDMTHZLAUJLE-UHFFFAOYSA-N 1 2 236.315 2.987 20 0 BFADLO CCCC[C@H](O)CNc1c[nH+]c(C)cc1C ZINC001252081918 968500471 /nfs/dbraw/zinc/50/04/71/968500471.db2.gz SQTQTQPRFAPTLQ-LBPRGKRZSA-N 1 2 222.332 2.661 20 0 BFADLO CC/C=C\CCC[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001208134280 969037949 /nfs/dbraw/zinc/03/79/49/969037949.db2.gz IHXIWRZLFPMVRD-ANDSXOESSA-N 1 2 203.276 2.725 20 0 BFADLO CCCC[C@@H](CCC)OCC[NH+]1CCOCC1 ZINC001210225500 969839149 /nfs/dbraw/zinc/83/91/49/969839149.db2.gz SXQADTNDVGONKX-CQSZACIVSA-N 1 2 243.391 2.694 20 0 BFADLO Oc1cc(C[N@@H+]2CCC[C@@H]2CF)ccc1Cl ZINC001231735175 977718995 /nfs/dbraw/zinc/71/89/95/977718995.db2.gz IYXMRQUUUXFCDK-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cc(C[N@H+]2CCC[C@@H]2CF)ccc1Cl ZINC001231735175 977718999 /nfs/dbraw/zinc/71/89/99/977718999.db2.gz IYXMRQUUUXFCDK-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C(F)F)C2)[nH+]1 ZINC001336639200 977824748 /nfs/dbraw/zinc/82/47/48/977824748.db2.gz YBJCVPWHQGZQSV-MRVPVSSYSA-N 1 2 230.233 2.621 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(O)c1F ZINC001232932997 978344782 /nfs/dbraw/zinc/34/47/82/978344782.db2.gz CWJCTVOVVIZJQG-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1ccc(F)c(O)c1F ZINC001232932997 978344791 /nfs/dbraw/zinc/34/47/91/978344791.db2.gz CWJCTVOVVIZJQG-QMMMGPOBSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@H]1CCCCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235411299 979039786 /nfs/dbraw/zinc/03/97/86/979039786.db2.gz NQTGUKHFPIFGFJ-JTQLQIEISA-N 1 2 239.750 2.895 20 0 BFADLO C[C@H]1CCCCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235411299 979039791 /nfs/dbraw/zinc/03/97/91/979039791.db2.gz NQTGUKHFPIFGFJ-JTQLQIEISA-N 1 2 239.750 2.895 20 0 BFADLO c1cn2cccc(C3=CCSCC3)c2[nH+]1 ZINC001236367700 979564375 /nfs/dbraw/zinc/56/43/75/979564375.db2.gz RFANYDMLSMXHMQ-UHFFFAOYSA-N 1 2 216.309 2.855 20 0 BFADLO CC(C)Oc1cc(C[N@H+]2CC[C@@H]2C)c(F)cn1 ZINC001238794340 980325294 /nfs/dbraw/zinc/32/52/94/980325294.db2.gz PRNPWHPPJRBNHR-JTQLQIEISA-N 1 2 238.306 2.602 20 0 BFADLO CC(C)Oc1cc(C[N@@H+]2CC[C@@H]2C)c(F)cn1 ZINC001238794340 980325286 /nfs/dbraw/zinc/32/52/86/980325286.db2.gz PRNPWHPPJRBNHR-JTQLQIEISA-N 1 2 238.306 2.602 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2scnc2c1 ZINC001241867271 983088262 /nfs/dbraw/zinc/08/82/62/983088262.db2.gz SAVODBOLBGRQEG-UHFFFAOYSA-N 1 2 215.281 2.697 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)c1ccccc1 ZINC001222588577 972591161 /nfs/dbraw/zinc/59/11/61/972591161.db2.gz ZUVWYQRXTQNDJH-NSHDSACASA-N 1 2 216.284 2.698 20 0 BFADLO CC(C)[C@@H](OCc1c[nH+]cn1C)C(F)(F)F ZINC001222595203 972591795 /nfs/dbraw/zinc/59/17/95/972591795.db2.gz SUHPWMHYZZPUEG-SECBINFHSA-N 1 2 236.237 2.524 20 0 BFADLO C[N@H+](Cc1c(F)cc(O)cc1F)C(C)(C)C ZINC001144553374 972864900 /nfs/dbraw/zinc/86/49/00/972864900.db2.gz BBTAQNSRQXFHRX-UHFFFAOYSA-N 1 2 229.270 2.901 20 0 BFADLO C[N@@H+](Cc1c(F)cc(O)cc1F)C(C)(C)C ZINC001144553374 972864905 /nfs/dbraw/zinc/86/49/05/972864905.db2.gz BBTAQNSRQXFHRX-UHFFFAOYSA-N 1 2 229.270 2.901 20 0 BFADLO COC(=O)Nc1cccc(-c2ccc[nH+]c2N)c1 ZINC001243474968 970766467 /nfs/dbraw/zinc/76/64/67/970766467.db2.gz BRJUEVMDCHOUOU-UHFFFAOYSA-N 1 2 243.266 2.509 20 0 BFADLO COCc1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001243475079 970770248 /nfs/dbraw/zinc/77/02/48/970770248.db2.gz DFOWQXRBXQSXIQ-UHFFFAOYSA-N 1 2 232.258 2.616 20 0 BFADLO CSc1ccc(-c2ccc[nH+]c2N)c(C)n1 ZINC001243477314 970770673 /nfs/dbraw/zinc/77/06/73/970770673.db2.gz KFANKSSXLJHUNV-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cc1cc(C)c(Nc2ccc(O)c(CO)c2)c[nH+]1 ZINC001216137463 970949794 /nfs/dbraw/zinc/94/97/94/970949794.db2.gz NYQGYLNBPQSLJX-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Cc1ccc(Nc2ccc(O)c(CO)c2)c(C)[nH+]1 ZINC001216136375 970951305 /nfs/dbraw/zinc/95/13/05/970951305.db2.gz QAMPZYRUTRQQOW-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Cc1c(F)cncc1Nc1cccn2cc[nH+]c12 ZINC001216191439 970971948 /nfs/dbraw/zinc/97/19/48/970971948.db2.gz UKCFPSONFRMMLU-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO COc1cc(Nc2cncc(F)c2C)cc(C)[nH+]1 ZINC001216191922 970975238 /nfs/dbraw/zinc/97/52/38/970975238.db2.gz KFKRJPJVLUWSJR-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO c1ccc(-c2cc(C3=C[NH2+]CCC3)ncn2)cc1 ZINC001243948362 971035465 /nfs/dbraw/zinc/03/54/65/971035465.db2.gz CIOVWXIJYLJENF-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO c1cn(-c2ccccc2NC2=CCCOC2)c[nH+]1 ZINC001216506090 971105901 /nfs/dbraw/zinc/10/59/01/971105901.db2.gz FRPUAMRUHWUATP-UHFFFAOYSA-N 1 2 241.294 2.588 20 0 BFADLO CCCCCC[C@H](CC)[NH+]1CC(F)(CO)C1 ZINC001170591220 971297665 /nfs/dbraw/zinc/29/76/65/971297665.db2.gz ALNHOHJJALJLCZ-LBPRGKRZSA-N 1 2 231.355 2.752 20 0 BFADLO FC1(F)C[NH2+]C[C@@H](OCCC2CCCCC2)C1 ZINC001217854404 971445347 /nfs/dbraw/zinc/44/53/47/971445347.db2.gz BETRSNCGAYJTTK-LBPRGKRZSA-N 1 2 247.329 2.971 20 0 BFADLO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc(S)c1 ZINC001217983362 971559024 /nfs/dbraw/zinc/55/90/24/971559024.db2.gz BHDCEICGKZJQHL-GWCFXTLKSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC001218004492 971567157 /nfs/dbraw/zinc/56/71/57/971567157.db2.gz ALRMSDQACPAFMS-NSHDSACASA-N 1 2 245.244 2.510 20 0 BFADLO CCc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218006132 971568446 /nfs/dbraw/zinc/56/84/46/971568446.db2.gz IUEKZPNNGONJSG-GFCCVEGCSA-N 1 2 241.281 2.625 20 0 BFADLO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc(S)c1 ZINC001218024773 971575726 /nfs/dbraw/zinc/57/57/26/971575726.db2.gz BLXBWJCWVRBKAF-ZWNOBZJWSA-N 1 2 237.368 2.742 20 0 BFADLO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc(S)c1 ZINC001218024771 971578476 /nfs/dbraw/zinc/57/84/76/971578476.db2.gz BLXBWJCWVRBKAF-GXFFZTMASA-N 1 2 237.368 2.742 20 0 BFADLO Sc1cccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218088909 971596787 /nfs/dbraw/zinc/59/67/87/971596787.db2.gz GIMQOOKRBOSKIF-ZIAGYGMSSA-N 1 2 249.379 2.886 20 0 BFADLO Cc1cccc(C(=O)Nc2c(C)c[nH+]cc2C)c1 ZINC001133681894 971591464 /nfs/dbraw/zinc/59/14/64/971591464.db2.gz ASMIAZZQESJHEU-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO Sc1cccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218088902 971598147 /nfs/dbraw/zinc/59/81/47/971598147.db2.gz GIMQOOKRBOSKIF-KBPBESRZSA-N 1 2 249.379 2.886 20 0 BFADLO CC(C)CC[C@H]([NH2+]Cc1ncn[nH]1)C(C)(C)C ZINC001330559875 974311959 /nfs/dbraw/zinc/31/19/59/974311959.db2.gz RMMIPRZMHWLRQU-NSHDSACASA-N 1 2 238.379 2.745 20 0 BFADLO Cc1cccc(O[C@@H]2C[NH2+]CC(F)(F)C2)c1C ZINC001218272011 971667984 /nfs/dbraw/zinc/66/79/84/971667984.db2.gz JSMWFBZNBBJIKO-NSHDSACASA-N 1 2 241.281 2.679 20 0 BFADLO CCc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1 ZINC001218272693 971669000 /nfs/dbraw/zinc/66/90/00/971669000.db2.gz FNENANHBNBWYGD-LBPRGKRZSA-N 1 2 241.281 2.625 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC001218290297 971684074 /nfs/dbraw/zinc/68/40/74/971684074.db2.gz ACJZESHSWXEQHS-SCVCMEIPSA-N 1 2 220.316 2.867 20 0 BFADLO COC1(CNc2ccc(C)[nH+]c2C)CCC1 ZINC001330607722 974356395 /nfs/dbraw/zinc/35/63/95/974356395.db2.gz GAJBUKPRXXXHLZ-UHFFFAOYSA-N 1 2 220.316 2.679 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@@H](Oc2ccc[nH+]c2N)C1 ZINC001218292277 971689059 /nfs/dbraw/zinc/68/90/59/971689059.db2.gz USZJICZYMHDDPG-SCVCMEIPSA-N 1 2 220.316 2.867 20 0 BFADLO CCC[C@H](Oc1ccc[nH+]c1N)C(C)C ZINC001218293953 971692305 /nfs/dbraw/zinc/69/23/05/971692305.db2.gz OJRZNJPMDBLVMB-JTQLQIEISA-N 1 2 208.305 2.867 20 0 BFADLO CC(C)CC[C@@H](C)Oc1ccc[nH+]c1N ZINC001218293776 971693832 /nfs/dbraw/zinc/69/38/32/971693832.db2.gz GDHPLEGIRQCIJU-SNVBAGLBSA-N 1 2 208.305 2.867 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218461662 971823869 /nfs/dbraw/zinc/82/38/69/971823869.db2.gz SRUWDVMLALBWRC-VHRBIJSZSA-N 1 2 249.379 2.661 20 0 BFADLO Cc1ccc(N[C@@H](C)c2ncc[nH]2)c(C)[nH+]1 ZINC000309765669 971826555 /nfs/dbraw/zinc/82/65/55/971826555.db2.gz JNHLAQKXYAVNKJ-JTQLQIEISA-N 1 2 216.288 2.595 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218483081 971831255 /nfs/dbraw/zinc/83/12/55/971831255.db2.gz TUNDMVJNFVCJFP-RNCFNFMXSA-N 1 2 237.368 2.661 20 0 BFADLO Cc1cc(-c2ccc3ncoc3c2)c[nH+]c1N ZINC001245536414 971848921 /nfs/dbraw/zinc/84/89/21/971848921.db2.gz KSSZRUSXCCYNRX-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1c[nH+]c(NCOc2ccccc2)cc1C ZINC001170804524 971855290 /nfs/dbraw/zinc/85/52/90/971855290.db2.gz QEOIYYUZVWVFGJ-UHFFFAOYSA-N 1 2 244.294 2.847 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CCOC[C@H]2C)c1C ZINC001170821585 971910151 /nfs/dbraw/zinc/91/01/51/971910151.db2.gz YGYKFQCCFVKLNH-ZYHUDNBSSA-N 1 2 220.316 2.535 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[NH+]1C[C@@H](F)[C@H](F)C1 ZINC001172338982 974603843 /nfs/dbraw/zinc/60/38/43/974603843.db2.gz NISGVJWYODFRBX-NNYUYHANSA-N 1 2 235.318 2.572 20 0 BFADLO Sc1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001159574865 971971528 /nfs/dbraw/zinc/97/15/28/971971528.db2.gz ONAWBPXXNBWQDH-UHFFFAOYSA-N 1 2 206.314 2.612 20 0 BFADLO Fc1cc(Cl)ccc1C[NH+]1CC=CC1 ZINC001137656814 972086598 /nfs/dbraw/zinc/08/65/98/972086598.db2.gz ZJYJVOBIOWRXOM-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO Cc1ccc(N[C@@H](C)c2nccnc2C)c(C)[nH+]1 ZINC000219227600 972103755 /nfs/dbraw/zinc/10/37/55/972103755.db2.gz PZUSVWSUYNNCTM-LBPRGKRZSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1ccc(N[C@H](C)c2nccnc2C)c(C)[nH+]1 ZINC000219227669 972104124 /nfs/dbraw/zinc/10/41/24/972104124.db2.gz PZUSVWSUYNNCTM-GFCCVEGCSA-N 1 2 242.326 2.970 20 0 BFADLO Cc1cc(Cl)ncc1C[NH+]1CC(C)(C)C1 ZINC001209627999 957516125 /nfs/dbraw/zinc/51/61/25/957516125.db2.gz NKTJUZITQOHTBQ-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO CC(C)n1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001210319732 957722692 /nfs/dbraw/zinc/72/26/92/957722692.db2.gz XYZNSPQSVAXTIZ-UHFFFAOYSA-N 1 2 241.298 2.855 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001204509961 957783871 /nfs/dbraw/zinc/78/38/71/957783871.db2.gz HVDADCHNZSOALK-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001204509961 957783878 /nfs/dbraw/zinc/78/38/78/957783878.db2.gz HVDADCHNZSOALK-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(C)c(Nc2c[nH]c(=O)c(F)c2)c[nH+]1 ZINC001210600096 957820743 /nfs/dbraw/zinc/82/07/43/957820743.db2.gz WQDOZWPTYZAJLM-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO Nc1ccc[nH+]c1Nc1cc2ccccc2[nH]1 ZINC001211303278 958151244 /nfs/dbraw/zinc/15/12/44/958151244.db2.gz MKKOBUQIFJLLDF-UHFFFAOYSA-N 1 2 224.267 2.889 20 0 BFADLO Cc1nsc(Nc2c[nH+]cc(C)c2C)n1 ZINC001213523195 958201050 /nfs/dbraw/zinc/20/10/50/958201050.db2.gz NGIRULUVVOLEBK-UHFFFAOYSA-N 1 2 220.301 2.602 20 0 BFADLO Cc1cncc(Nc2c[nH+]cc(C)c2C)n1 ZINC001213523344 958201542 /nfs/dbraw/zinc/20/15/42/958201542.db2.gz QGOCNUXUHUOGQD-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137015993 972328289 /nfs/dbraw/zinc/32/82/89/972328289.db2.gz FFCDPCGLPWGISR-QMMMGPOBSA-N 1 2 247.264 2.803 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1nc(C(F)(F)F)c[nH]1 ZINC001137015993 972328295 /nfs/dbraw/zinc/32/82/95/972328295.db2.gz FFCDPCGLPWGISR-QMMMGPOBSA-N 1 2 247.264 2.803 20 0 BFADLO COc1cc[nH+]cc1N[C@@H](C)c1ccc(F)cn1 ZINC001167479251 958407329 /nfs/dbraw/zinc/40/73/29/958407329.db2.gz JOUDMDBEVFGQTJ-VIFPVBQESA-N 1 2 247.273 2.797 20 0 BFADLO COc1c(F)cc(C[N@H+](C)CCF)cc1Cl ZINC001143863377 972368259 /nfs/dbraw/zinc/36/82/59/972368259.db2.gz HJILRLXXUWZLSF-UHFFFAOYSA-N 1 2 249.688 2.889 20 0 BFADLO COc1c(F)cc(C[N@@H+](C)CCF)cc1Cl ZINC001143863377 972368271 /nfs/dbraw/zinc/36/82/71/972368271.db2.gz HJILRLXXUWZLSF-UHFFFAOYSA-N 1 2 249.688 2.889 20 0 BFADLO COc1ccccc1[C@@H](C)OCCn1cc[nH+]c1 ZINC001222135518 972380029 /nfs/dbraw/zinc/38/00/29/972380029.db2.gz ZLGYEFMXWPKPTM-GFCCVEGCSA-N 1 2 246.310 2.670 20 0 BFADLO CC(C)C[C@H](OCCn1cc[nH+]c1)C(C)C ZINC001222134332 972380693 /nfs/dbraw/zinc/38/06/93/972380693.db2.gz CSQQZZCMCBHDLF-ZDUSSCGKSA-N 1 2 224.348 2.970 20 0 BFADLO CCCC(CCC)OCCn1cc[nH+]c1 ZINC001222135320 972382599 /nfs/dbraw/zinc/38/25/99/972382599.db2.gz XXWKIVFMRVGZCM-UHFFFAOYSA-N 1 2 210.321 2.869 20 0 BFADLO CC1(C)CCC[C@H](OCCn2cc[nH+]c2)C1 ZINC001222139701 972386982 /nfs/dbraw/zinc/38/69/82/972386982.db2.gz UROLYZUYJYEIRV-LBPRGKRZSA-N 1 2 222.332 2.869 20 0 BFADLO C[C@@H]1CCC[C@@H](C)C1OCCn1cc[nH+]c1 ZINC001222138475 972387342 /nfs/dbraw/zinc/38/73/42/972387342.db2.gz FKJZXWPRURDUFR-VXGBXAGGSA-N 1 2 222.332 2.724 20 0 BFADLO CNc1cccc(NCc2cc[nH+]c(N)c2)c1C ZINC001167618706 959091267 /nfs/dbraw/zinc/09/12/67/959091267.db2.gz NBMDBLCIRVSMID-UHFFFAOYSA-N 1 2 242.326 2.626 20 0 BFADLO COc1cccc(C)c1NCc1cc[nH+]c(N)c1 ZINC001167618026 959091798 /nfs/dbraw/zinc/09/17/98/959091798.db2.gz CJRDUNVPVHCKMO-UHFFFAOYSA-N 1 2 243.310 2.593 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1ccc(CO)o1)C2 ZINC001140678846 960489699 /nfs/dbraw/zinc/48/96/99/960489699.db2.gz LADYFPRJKPONDY-UHFFFAOYSA-N 1 2 243.306 2.596 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1ccc(CO)o1)C2 ZINC001140678846 960489709 /nfs/dbraw/zinc/48/97/09/960489709.db2.gz LADYFPRJKPONDY-UHFFFAOYSA-N 1 2 243.306 2.596 20 0 BFADLO CC1(C)CC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140894450 960677773 /nfs/dbraw/zinc/67/77/73/960677773.db2.gz YTVXICRURQTMBW-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140894450 960677789 /nfs/dbraw/zinc/67/77/89/960677789.db2.gz YTVXICRURQTMBW-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO Oc1c(F)cc(C[NH+]2CC3CC(C3)C2)cc1F ZINC001140992109 960782130 /nfs/dbraw/zinc/78/21/30/960782130.db2.gz NLDRBFYULKOLGG-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO Cc1cccc2c1CC[N@H+](Cc1ncco1)C2 ZINC001141004417 960800072 /nfs/dbraw/zinc/80/00/72/960800072.db2.gz FNTJKVFCOIRCJO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1CC[N@@H+](Cc1ncco1)C2 ZINC001141004417 960800073 /nfs/dbraw/zinc/80/00/73/960800073.db2.gz FNTJKVFCOIRCJO-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO c1coc(C[N@H+]2CC=C(c3ccccc3)CC2)n1 ZINC001141011302 960816204 /nfs/dbraw/zinc/81/62/04/960816204.db2.gz WZAZUWHHRPTUNP-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO c1coc(C[N@@H+]2CC=C(c3ccccc3)CC2)n1 ZINC001141011302 960816206 /nfs/dbraw/zinc/81/62/06/960816206.db2.gz WZAZUWHHRPTUNP-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1cccc(OC)c1 ZINC001141130311 960875197 /nfs/dbraw/zinc/87/51/97/960875197.db2.gz HYUMLEUWOGXILY-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1cccc(OC)c1 ZINC001141130311 960875204 /nfs/dbraw/zinc/87/52/04/960875204.db2.gz HYUMLEUWOGXILY-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[NH+](CC)Cc1ncc(Cl)nc1Cl ZINC001141131657 960879972 /nfs/dbraw/zinc/87/99/72/960879972.db2.gz IYJGCIZBMOCNBJ-UHFFFAOYSA-N 1 2 234.130 2.625 20 0 BFADLO Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001141192085 960924684 /nfs/dbraw/zinc/92/46/84/960924684.db2.gz PDCCEYYRNKECTM-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO [NH2+]=CNc1cc(-c2cccs2)ccn1 ZINC001167863918 961331565 /nfs/dbraw/zinc/33/15/65/961331565.db2.gz IIHDQQGRWTVKTL-UHFFFAOYSA-N 1 2 203.270 2.829 20 0 BFADLO COc1c(F)cc(F)cc1C[NH+]1CC(C)(C)C1 ZINC001143551921 961818685 /nfs/dbraw/zinc/81/86/85/961818685.db2.gz NDSCLANSXHTIKA-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(OC(C)C)ncc1F ZINC001206630403 962035199 /nfs/dbraw/zinc/03/51/99/962035199.db2.gz PPSVMDYROHAVQS-GQYICFGZSA-N 1 2 236.290 2.884 20 0 BFADLO CCC[C@H](CC(=O)OCC)Oc1cc[nH+]cc1 ZINC001225291202 962048423 /nfs/dbraw/zinc/04/84/23/962048423.db2.gz PBTRPKCRLYZJRL-GFCCVEGCSA-N 1 2 237.299 2.582 20 0 BFADLO CCc1cccc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000045858577 962065535 /nfs/dbraw/zinc/06/55/35/962065535.db2.gz YMZPNOZVVMSNFY-LLVKDONJSA-N 1 2 243.310 2.645 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc2nonc2c1 ZINC001204951885 962172313 /nfs/dbraw/zinc/17/23/13/962172313.db2.gz ADMVWZYCYBEXOW-UHFFFAOYSA-N 1 2 225.251 2.902 20 0 BFADLO CO[C@H](CNc1ccc([NH+](C)C)cc1)C1CC1 ZINC000400115659 962248217 /nfs/dbraw/zinc/24/82/17/962248217.db2.gz IJEVPIOWZNLLBJ-CQSZACIVSA-N 1 2 234.343 2.590 20 0 BFADLO C=Cc1ccc(NCCn2nc(C)cc2C)[nH+]c1 ZINC001154787038 962848919 /nfs/dbraw/zinc/84/89/19/962848919.db2.gz ZQMBLHFKHYFGTD-UHFFFAOYSA-N 1 2 242.326 2.650 20 0 BFADLO COc1c[nH+]c(NC(C)(C)C2CC2)c(C)c1 ZINC001155067654 962955608 /nfs/dbraw/zinc/95/56/08/962955608.db2.gz YOUGWOSMWLUUHG-UHFFFAOYSA-N 1 2 220.316 2.999 20 0 BFADLO CC[C@H](C)Nc1[nH+]cc(OC)c2cc[nH]c21 ZINC001168000201 963219104 /nfs/dbraw/zinc/21/91/04/963219104.db2.gz RRMRUPOZESTPIR-QMMMGPOBSA-N 1 2 219.288 2.782 20 0 BFADLO CSc1nc(NC2(C)CCC2)cc(C)[nH+]1 ZINC001156067981 963244816 /nfs/dbraw/zinc/24/48/16/963244816.db2.gz VEVDDRIALSQYMJ-UHFFFAOYSA-N 1 2 223.345 2.861 20 0 BFADLO COc1c[nH+]c(NC2(C)CCC2)c(C)c1 ZINC001156069693 963247241 /nfs/dbraw/zinc/24/72/41/963247241.db2.gz QBDHRRJNYIIBEJ-UHFFFAOYSA-N 1 2 206.289 2.753 20 0 BFADLO Cc1nc(NC2(C)CCC2)c2c([nH+]1)CCC2 ZINC001156073799 963249723 /nfs/dbraw/zinc/24/97/23/963249723.db2.gz PTYFYRCGYKIHQV-UHFFFAOYSA-N 1 2 217.316 2.628 20 0 BFADLO Cc1c(F)cc[nH+]c1N1C[C@H](C)CC12CC2 ZINC001156418600 963342133 /nfs/dbraw/zinc/34/21/33/963342133.db2.gz FCSOQCYPTPJFHN-SECBINFHSA-N 1 2 220.291 2.908 20 0 BFADLO COCc1cc[nH+]c(NCCc2ccsc2)c1 ZINC001156520706 963374559 /nfs/dbraw/zinc/37/45/59/963374559.db2.gz AINZPORTOOMTNN-UHFFFAOYSA-N 1 2 248.351 2.944 20 0 BFADLO c1ccc2cc(NCc3cccnn3)[nH+]cc2c1 ZINC001156608368 963406666 /nfs/dbraw/zinc/40/66/66/963406666.db2.gz FJTMAUYTRRTUOR-UHFFFAOYSA-N 1 2 236.278 2.637 20 0 BFADLO Cc1cc(N)ccc1Nc1[nH+]cc(O)cc1C ZINC001214106043 963422083 /nfs/dbraw/zinc/42/20/83/963422083.db2.gz SXHSHZUNYKCDPT-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1ccnc(NCc2cc[nH+]c(N)c2)c1Cl ZINC001156756737 963455430 /nfs/dbraw/zinc/45/54/30/963455430.db2.gz FHRXRBMSCLBKDS-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC3CC(C3)C2)c1 ZINC001156910096 963493162 /nfs/dbraw/zinc/49/31/62/963493162.db2.gz KUELAUHESKQCGW-UHFFFAOYSA-N 1 2 214.312 2.805 20 0 BFADLO Cc1nc(NC=[NH2+])cc(C2CCCCC2)n1 ZINC001157078481 963525840 /nfs/dbraw/zinc/52/58/40/963525840.db2.gz OVHFMHDYFLCMQE-UHFFFAOYSA-N 1 2 218.304 2.852 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@H](C)C2CCC2)[nH+]1 ZINC001157125165 963534889 /nfs/dbraw/zinc/53/48/89/963534889.db2.gz SMGXWEJLIJSRBN-SNVBAGLBSA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@H](C)C2CCC2)c[nH+]1 ZINC001157125165 963534897 /nfs/dbraw/zinc/53/48/97/963534897.db2.gz SMGXWEJLIJSRBN-SNVBAGLBSA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@@H](C)C2CCC2)[nH+]1 ZINC001157125163 963536803 /nfs/dbraw/zinc/53/68/03/963536803.db2.gz SMGXWEJLIJSRBN-JTQLQIEISA-N 1 2 249.358 2.586 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@@H](C)C2CCC2)c[nH+]1 ZINC001157125163 963536810 /nfs/dbraw/zinc/53/68/10/963536810.db2.gz SMGXWEJLIJSRBN-JTQLQIEISA-N 1 2 249.358 2.586 20 0 BFADLO CSc1cc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC001157142083 963542828 /nfs/dbraw/zinc/54/28/28/963542828.db2.gz AOIRYHPBUDUNNJ-KOLCDFICSA-N 1 2 220.341 2.792 20 0 BFADLO CC[C@@H](C)Nc1nc(NC(C)C)c(OC)c[nH+]1 ZINC001157230907 963559958 /nfs/dbraw/zinc/55/99/58/963559958.db2.gz LSZLCDWBJDBYCR-SECBINFHSA-N 1 2 238.335 2.516 20 0 BFADLO COc1ccc[nH+]c1NCc1cc(C(C)C)no1 ZINC001157993549 963786608 /nfs/dbraw/zinc/78/66/08/963786608.db2.gz REQXTZFVTVEZHI-UHFFFAOYSA-N 1 2 247.298 2.814 20 0 BFADLO CCCNc1cc(-c2ccncc2)cc[nH+]1 ZINC001168133221 963825275 /nfs/dbraw/zinc/82/52/75/963825275.db2.gz YVZWURGXQVEKCL-UHFFFAOYSA-N 1 2 213.284 2.966 20 0 BFADLO CNc1ccc(NC2(c3ccccn3)CC2)c[nH+]1 ZINC001168151563 963870297 /nfs/dbraw/zinc/87/02/97/963870297.db2.gz QVGBOWQRHSVAEF-UHFFFAOYSA-N 1 2 240.310 2.620 20 0 BFADLO CSCc1cc[nH+]c(N(C)CC(F)F)c1 ZINC001158934133 963962031 /nfs/dbraw/zinc/96/20/31/963962031.db2.gz KSXGCOHDDSDGMT-UHFFFAOYSA-N 1 2 232.299 2.646 20 0 BFADLO Cc1c[nH+]c(N2C3CCC2CC3)nc1NC(C)C ZINC001159079421 963993178 /nfs/dbraw/zinc/99/31/78/963993178.db2.gz JYWPMLNTQVMPAT-UHFFFAOYSA-N 1 2 246.358 2.737 20 0 BFADLO Cc1c(F)ccc(Nc2ccc(N)[nH+]c2)c1F ZINC001159282550 964048104 /nfs/dbraw/zinc/04/81/04/964048104.db2.gz XZCQIKWXBJQTNJ-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO CCOc1ccc(Nc2ccc(N)[nH+]c2)c(C)n1 ZINC001159282524 964050068 /nfs/dbraw/zinc/05/00/68/964050068.db2.gz XFZDYZIZBLITGS-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO C[C@@H]1CCN(c2ccc(C(C)(C)C)c[nH+]2)C[C@H]1O ZINC000300453985 964159705 /nfs/dbraw/zinc/15/97/05/964159705.db2.gz IRSYTCDBHACSDF-DGCLKSJQSA-N 1 2 248.370 2.586 20 0 BFADLO CSc1cc[nH+]c(N[C@H]2CCOC[C@H]2C)c1 ZINC001159716923 964168465 /nfs/dbraw/zinc/16/84/65/964168465.db2.gz SILITZDPILRKEH-KOLCDFICSA-N 1 2 238.356 2.640 20 0 BFADLO Cc1cc(C)cc(-c2noc(C[NH+]3CCC3)n2)c1 ZINC001212093226 964252759 /nfs/dbraw/zinc/25/27/59/964252759.db2.gz MNSANTNGRJQNSP-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO CCSc1cc[nH+]c(NCC[C@@H](C)CO)c1 ZINC001160606843 964353242 /nfs/dbraw/zinc/35/32/42/964353242.db2.gz BYLUFQFCBMUMOM-SNVBAGLBSA-N 1 2 240.372 2.624 20 0 BFADLO OCc1ccccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213030445 964545591 /nfs/dbraw/zinc/54/55/91/964545591.db2.gz BESYFQWSOXNIPO-UHFFFAOYSA-N 1 2 239.278 2.799 20 0 BFADLO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1cscn1 ZINC000697892698 964652502 /nfs/dbraw/zinc/65/25/02/964652502.db2.gz OYUJXAGELBLBCN-ONGXEEELSA-N 1 2 245.351 2.876 20 0 BFADLO CC(C)CNc1[nH+]cccc1-n1cccc1 ZINC001161644719 964659053 /nfs/dbraw/zinc/65/90/53/964659053.db2.gz HOQJDNQLNLHBPU-UHFFFAOYSA-N 1 2 215.300 2.940 20 0 BFADLO Nc1cccc(Nc2cccc3[nH+]c[nH]c32)c1O ZINC001213034498 964679748 /nfs/dbraw/zinc/67/97/48/964679748.db2.gz NGOCVMHTNAUNPF-UHFFFAOYSA-N 1 2 240.266 2.594 20 0 BFADLO CCC[C@H](C)Nc1[nH+]cc(OC)cc1C ZINC001161717035 964707455 /nfs/dbraw/zinc/70/74/55/964707455.db2.gz ZVPWTXOBVKDGAH-JTQLQIEISA-N 1 2 208.305 2.999 20 0 BFADLO Cc1cc[nH+]c(Nc2ccn(C(C)C)c(=O)c2)c1 ZINC001162074936 964846943 /nfs/dbraw/zinc/84/69/43/964846943.db2.gz UYHRGSUNJWFARX-UHFFFAOYSA-N 1 2 243.310 2.876 20 0 BFADLO CCCCNc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001162202128 964866718 /nfs/dbraw/zinc/86/67/18/964866718.db2.gz JHPNSMVWJQEOHR-UHFFFAOYSA-N 1 2 236.315 2.513 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cnc(Cl)cn1 ZINC001162661219 965097882 /nfs/dbraw/zinc/09/78/82/965097882.db2.gz RMQMHWVNUHZQJZ-UHFFFAOYSA-N 1 2 212.684 2.565 20 0 BFADLO Cc1cc(NC(=[NH2+])C(C)(C)C)nc2nc[nH]c21 ZINC001162662519 965100267 /nfs/dbraw/zinc/10/02/67/965100267.db2.gz XACMXFMUHJVTKM-UHFFFAOYSA-N 1 2 231.303 2.702 20 0 BFADLO C=Cc1ccc(NCC2CC(OC)C2)[nH+]c1 ZINC001162991955 965221531 /nfs/dbraw/zinc/22/15/31/965221531.db2.gz ZROHZBWAIPHOEV-UHFFFAOYSA-N 1 2 218.300 2.562 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ncc[nH]1 ZINC000139021237 965398470 /nfs/dbraw/zinc/39/84/70/965398470.db2.gz RXNWPPLTTBIYGG-PWSUYJOCSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ncc[nH]1 ZINC000139021145 965400122 /nfs/dbraw/zinc/40/01/22/965400122.db2.gz RXNWPPLTTBIYGG-JQWIXIFHSA-N 1 2 242.326 2.533 20 0 BFADLO CCOC(CCCNc1cccc[nH+]1)OCC ZINC001163481352 965419333 /nfs/dbraw/zinc/41/93/33/965419333.db2.gz FVPKEOORXJLQPF-UHFFFAOYSA-N 1 2 238.331 2.673 20 0 BFADLO CCN(Cc1ccncc1)c1[nH+]ccc(F)c1C ZINC001163610103 965479796 /nfs/dbraw/zinc/47/97/96/965479796.db2.gz WDXJBPCPVSGBDX-UHFFFAOYSA-N 1 2 245.301 2.951 20 0 BFADLO CCCN(CC)c1cc(N(CC)CC)[nH+]cn1 ZINC001163603128 965480750 /nfs/dbraw/zinc/48/07/50/965480750.db2.gz WHJNPFKTUXYTCK-UHFFFAOYSA-N 1 2 236.363 2.559 20 0 BFADLO CCCN(CC)c1cc(N(CC)CC)nc[nH+]1 ZINC001163603128 965480755 /nfs/dbraw/zinc/48/07/55/965480755.db2.gz WHJNPFKTUXYTCK-UHFFFAOYSA-N 1 2 236.363 2.559 20 0 BFADLO CCCN(CCOC)c1cccc(C2CC2)[nH+]1 ZINC001163647763 965494652 /nfs/dbraw/zinc/49/46/52/965494652.db2.gz LVMFHYOQVZPPST-UHFFFAOYSA-N 1 2 234.343 2.822 20 0 BFADLO Cc1c(F)cc[nH+]c1N(C)CC(F)(F)F ZINC001163710538 965526655 /nfs/dbraw/zinc/52/66/55/965526655.db2.gz ZLFFPTMFZSFLDS-UHFFFAOYSA-N 1 2 222.185 2.528 20 0 BFADLO CSc1cc(NC2(C)CCC2)nc(C)[nH+]1 ZINC001164025703 965703702 /nfs/dbraw/zinc/70/37/02/965703702.db2.gz ZOZAEUPKOQWJRB-UHFFFAOYSA-N 1 2 223.345 2.861 20 0 BFADLO Cc1cc2cc(NC[C@@H]3CC(C)(C)O3)[nH+]cc2[nH]1 ZINC001168450461 965738215 /nfs/dbraw/zinc/73/82/15/965738215.db2.gz BASLBHLBDIMBLC-NSHDSACASA-N 1 2 245.326 2.851 20 0 BFADLO C[N@H+](CC(F)F)[C@H]1CCc2cc(F)ccc2C1 ZINC001168449253 965743090 /nfs/dbraw/zinc/74/30/90/965743090.db2.gz UMTFPADLTUXFJW-LBPRGKRZSA-N 1 2 243.272 2.880 20 0 BFADLO C[N@@H+](CC(F)F)[C@H]1CCc2cc(F)ccc2C1 ZINC001168449253 965743103 /nfs/dbraw/zinc/74/31/03/965743103.db2.gz UMTFPADLTUXFJW-LBPRGKRZSA-N 1 2 243.272 2.880 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC1(F)F ZINC001168453710 965754272 /nfs/dbraw/zinc/75/42/72/965754272.db2.gz GTTHZHWQUZGXHL-KCJUWKMLSA-N 1 2 229.245 2.754 20 0 BFADLO Cc1c(F)cc[nH+]c1N(C)C1CC(C)C1 ZINC001164198958 965792225 /nfs/dbraw/zinc/79/22/25/965792225.db2.gz CUHMONGKUPGJBG-UHFFFAOYSA-N 1 2 208.280 2.764 20 0 BFADLO CC(=O)Nc1c(C)cc[nH+]c1N(C)C1CC(C)C1 ZINC001164199190 965791535 /nfs/dbraw/zinc/79/15/35/965791535.db2.gz GPBOQMDFCUHJFM-UHFFFAOYSA-N 1 2 247.342 2.583 20 0 BFADLO COc1cc(C)c[nH+]c1N1C[C@@H](C)C[C@H]1CF ZINC001164260826 965813227 /nfs/dbraw/zinc/81/32/27/965813227.db2.gz STOLMCNKFSLQSG-QWRGUYRKSA-N 1 2 238.306 2.583 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@@H+]1CCC(=O)C[C@H]1C ZINC001168479233 965875884 /nfs/dbraw/zinc/87/58/84/965875884.db2.gz JSTZNBQPFACTSG-NWDGAFQWSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC(=O)C[C@H]1C ZINC001168479233 965875890 /nfs/dbraw/zinc/87/58/90/965875890.db2.gz JSTZNBQPFACTSG-NWDGAFQWSA-N 1 2 249.329 2.810 20 0 BFADLO Cc1cc(N2CC(C)(F)C2)nc(C(C)(C)C)[nH+]1 ZINC001164589289 965928178 /nfs/dbraw/zinc/92/81/78/965928178.db2.gz XIGBGVGCLHOWPH-UHFFFAOYSA-N 1 2 237.322 2.631 20 0 BFADLO CNc1ccc(Nc2nc(C)ccc2F)c[nH+]1 ZINC001203451862 965999453 /nfs/dbraw/zinc/99/94/53/965999453.db2.gz FARJWSASKMVUFM-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO Cc1nc(N2C[C@@H]3C[C@@H]3[C@H](F)C2)cc(C(C)C)[nH+]1 ZINC001165365766 966067743 /nfs/dbraw/zinc/06/77/43/966067743.db2.gz ZHUKLKYKPUSOAG-SDDRHHMPSA-N 1 2 249.333 2.703 20 0 BFADLO O=C1CCCN(c2cc3ccccc3c[nH+]2)CC1 ZINC001165464431 966100986 /nfs/dbraw/zinc/10/09/86/966100986.db2.gz DLDFTQURBIWGCO-UHFFFAOYSA-N 1 2 240.306 2.794 20 0 BFADLO Cc1cc(N[C@H](C)CCO)[nH+]cc1C(F)(F)F ZINC001165868839 966186052 /nfs/dbraw/zinc/18/60/52/966186052.db2.gz WVGJTCPDZMINEJ-MRVPVSSYSA-N 1 2 248.248 2.592 20 0 BFADLO Cc1cc[nH+]c(C)c1NC1(c2cccnn2)CC1 ZINC001168516058 966221111 /nfs/dbraw/zinc/22/11/11/966221111.db2.gz SKRBBUXYQQLOHG-UHFFFAOYSA-N 1 2 240.310 2.590 20 0 BFADLO CCN(CC)c1cc(N(C)C(C)(C)C)nc[nH+]1 ZINC001166527408 966283179 /nfs/dbraw/zinc/28/31/79/966283179.db2.gz MBKQMVIOIFGCQQ-UHFFFAOYSA-N 1 2 236.363 2.558 20 0 BFADLO CCN(CC)c1cc(N(C)C(C)(C)C)[nH+]cn1 ZINC001166527408 966283189 /nfs/dbraw/zinc/28/31/89/966283189.db2.gz MBKQMVIOIFGCQQ-UHFFFAOYSA-N 1 2 236.363 2.558 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@H]2C[C@H]3F)nc(C(C)C)[nH+]1 ZINC001166531354 966289890 /nfs/dbraw/zinc/28/98/90/966289890.db2.gz XXLMYUVOORIIEK-SDDRHHMPSA-N 1 2 249.333 2.845 20 0 BFADLO CCCC(=O)Cn1c[nH+]c(Cc2ccccc2)c1 ZINC000919150477 966294184 /nfs/dbraw/zinc/29/41/84/966294184.db2.gz KTZRFDNQZUGCQY-UHFFFAOYSA-N 1 2 242.322 2.843 20 0 BFADLO CCc1cn(Cc2ccccc2C)c[nH+]1 ZINC001166822037 966420097 /nfs/dbraw/zinc/42/00/97/966420097.db2.gz IBXCMSTXPYTPNN-UHFFFAOYSA-N 1 2 200.285 2.802 20 0 BFADLO CC(C)c1ccc(N2CC[C@@H](O)C[C@H]2C)[nH+]c1 ZINC001166963482 966491064 /nfs/dbraw/zinc/49/10/64/966491064.db2.gz CWTATWKZNIISHA-DGCLKSJQSA-N 1 2 234.343 2.555 20 0 BFADLO CC1(C)CN(c2cccc(C3CC3)[nH+]2)CCC1=O ZINC001166976613 966497409 /nfs/dbraw/zinc/49/74/09/966497409.db2.gz ASIHRKCFIKXRMX-UHFFFAOYSA-N 1 2 244.338 2.764 20 0 BFADLO COc1cc(Nc2ccc(F)c(N)c2)cc(C)[nH+]1 ZINC001212334391 966498350 /nfs/dbraw/zinc/49/83/50/966498350.db2.gz AOXJUVAUSJKLOJ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CCc1cc(C[N@@H+]2CCCC[C@@H](F)C2)on1 ZINC001203212151 966558264 /nfs/dbraw/zinc/55/82/64/966558264.db2.gz KNBWKDYFCBYING-SNVBAGLBSA-N 1 2 226.295 2.561 20 0 BFADLO CCc1cc(C[N@H+]2CCCC[C@@H](F)C2)on1 ZINC001203212151 966558276 /nfs/dbraw/zinc/55/82/76/966558276.db2.gz KNBWKDYFCBYING-SNVBAGLBSA-N 1 2 226.295 2.561 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccco2)C[C@@H]1F ZINC001203272229 966588602 /nfs/dbraw/zinc/58/86/02/966588602.db2.gz BKTHAUBWPNCHIP-WDEREUQCSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccco2)C[C@@H]1F ZINC001203272229 966588611 /nfs/dbraw/zinc/58/86/11/966588611.db2.gz BKTHAUBWPNCHIP-WDEREUQCSA-N 1 2 215.243 2.552 20 0 BFADLO F[C@H]1C[N@H+](Cc2ccco2)CCCC1(F)F ZINC001203273156 966591958 /nfs/dbraw/zinc/59/19/58/966591958.db2.gz UZGJLKNHTYQFCI-JTQLQIEISA-N 1 2 233.233 2.849 20 0 BFADLO F[C@H]1C[N@@H+](Cc2ccco2)CCCC1(F)F ZINC001203273156 966591966 /nfs/dbraw/zinc/59/19/66/966591966.db2.gz UZGJLKNHTYQFCI-JTQLQIEISA-N 1 2 233.233 2.849 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccco2)C[C@H]1F ZINC001203272226 966592733 /nfs/dbraw/zinc/59/27/33/966592733.db2.gz BKTHAUBWPNCHIP-GHMZBOCLSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccco2)C[C@H]1F ZINC001203272226 966592745 /nfs/dbraw/zinc/59/27/45/966592745.db2.gz BKTHAUBWPNCHIP-GHMZBOCLSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2F)CCCC1=O ZINC001203346527 966607550 /nfs/dbraw/zinc/60/75/50/966607550.db2.gz PHHPCXSJVKBQPF-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2F)CCCC1=O ZINC001203346527 966607560 /nfs/dbraw/zinc/60/75/60/966607560.db2.gz PHHPCXSJVKBQPF-NSHDSACASA-N 1 2 235.302 2.627 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCc2occc2C1 ZINC001203357302 966611592 /nfs/dbraw/zinc/61/15/92/966611592.db2.gz IPSHBJAGGWFSPP-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Fc1ccccc1C[N@H+]1CCc2occc2C1 ZINC001203357302 966611601 /nfs/dbraw/zinc/61/16/01/966611601.db2.gz IPSHBJAGGWFSPP-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Cc1ccc(Nc2ncc(C)c(C)n2)c(C)[nH+]1 ZINC001203363560 966614414 /nfs/dbraw/zinc/61/44/14/966614414.db2.gz VQWRAYNVJVSSCU-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(Nc2ccc(C)[nH+]c2C)no1 ZINC001203362625 966615531 /nfs/dbraw/zinc/61/55/31/966615531.db2.gz COJDEXAJWKWVAP-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CNc1ccc(Nc2cc(C)ns2)c[nH+]1 ZINC001203449087 966637991 /nfs/dbraw/zinc/63/79/91/966637991.db2.gz ZCDAFZRLWUELBB-UHFFFAOYSA-N 1 2 220.301 2.632 20 0 BFADLO CNc1ccc(Nc2nccnc2C2CC2)c[nH+]1 ZINC001203448882 966646572 /nfs/dbraw/zinc/64/65/72/966646572.db2.gz ORSBEMVHULITQA-UHFFFAOYSA-N 1 2 241.298 2.534 20 0 BFADLO CCCc1cc(Nc2ccc(NC)[nH+]c2)on1 ZINC001203448361 966646746 /nfs/dbraw/zinc/64/67/46/966646746.db2.gz ZARVNYXMSAZXOD-UHFFFAOYSA-N 1 2 232.287 2.807 20 0 BFADLO CNc1ccc(Nc2ccc(C)nc2)c[nH+]1 ZINC001203448322 966649498 /nfs/dbraw/zinc/64/94/98/966649498.db2.gz WVSACDCKAGQHCM-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2ccn3nccc3c2)c[nH+]1 ZINC001203449830 966658586 /nfs/dbraw/zinc/65/85/86/966658586.db2.gz MKBYLAHWFWHNSY-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO Cc1coc(C[N@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC001237647654 966682092 /nfs/dbraw/zinc/68/20/92/966682092.db2.gz DXUGHLMYNWEHEC-GFCCVEGCSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1coc(C[N@@H+]2Cc3ccccc3C[C@H]2C)n1 ZINC001237647654 966682095 /nfs/dbraw/zinc/68/20/95/966682095.db2.gz DXUGHLMYNWEHEC-GFCCVEGCSA-N 1 2 242.322 2.930 20 0 BFADLO COc1ccc(Nc2cc(C)c[nH+]c2C)cn1 ZINC001203653952 966721898 /nfs/dbraw/zinc/72/18/98/966721898.db2.gz YCCISIVKNJAQQS-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncccc2N(C)C)c1 ZINC001203660095 966725126 /nfs/dbraw/zinc/72/51/26/966725126.db2.gz BOOLOYWEQJAWCK-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO COc1nccc(Nc2cc(C)c[nH+]c2C)c1F ZINC001203661140 966727125 /nfs/dbraw/zinc/72/71/25/966727125.db2.gz RWXFYWDSAUQOCN-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1nc2c(o1)CC[N@H+](Cc1ccccc1C)C2 ZINC001203713567 966746249 /nfs/dbraw/zinc/74/62/49/966746249.db2.gz UIFIPRCHFIXTHX-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc2c(o1)CC[N@@H+](Cc1ccccc1C)C2 ZINC001203713567 966746262 /nfs/dbraw/zinc/74/62/62/966746262.db2.gz UIFIPRCHFIXTHX-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000691298729 966787701 /nfs/dbraw/zinc/78/77/01/966787701.db2.gz ZVWZWDODHWWBNO-DZGCQCFKSA-N 1 2 246.354 2.732 20 0 BFADLO C[NH+](C)c1ccc(N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000691298732 966788290 /nfs/dbraw/zinc/78/82/90/966788290.db2.gz ZVWZWDODHWWBNO-ZFWWWQNUSA-N 1 2 246.354 2.732 20 0 BFADLO Clc1ccc(C[N@@H+]2CCCC23COC3)cc1 ZINC001203921714 966822298 /nfs/dbraw/zinc/82/22/98/966822298.db2.gz ZPOWLUDTFSPZSH-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccc(C[N@H+]2CCCC23COC3)cc1 ZINC001203921714 966822303 /nfs/dbraw/zinc/82/23/03/966822303.db2.gz ZPOWLUDTFSPZSH-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CCOc1ccc(C[NH+]2CC(OC(C)C)C2)cc1 ZINC001203969243 966831458 /nfs/dbraw/zinc/83/14/58/966831458.db2.gz AOVOTSRSIVZCKR-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCOc1ccc(C[N@@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001203963522 966833390 /nfs/dbraw/zinc/83/33/90/966833390.db2.gz SZVCYCIKSLUPHT-GFCCVEGCSA-N 1 2 247.338 2.639 20 0 BFADLO CCOc1ccc(C[N@H+]2CCC(=O)C[C@H]2C)cc1 ZINC001203963522 966833391 /nfs/dbraw/zinc/83/33/91/966833391.db2.gz SZVCYCIKSLUPHT-GFCCVEGCSA-N 1 2 247.338 2.639 20 0 BFADLO c1csc(C[NH+]2CC3(C2)CCCCO3)c1 ZINC001204015001 966854846 /nfs/dbraw/zinc/85/48/46/966854846.db2.gz TZZFJJKFDNTJJY-UHFFFAOYSA-N 1 2 223.341 2.503 20 0 BFADLO Cc1ccsc1C[N@@H+]1Cc2ccncc2C1 ZINC001204022604 966857304 /nfs/dbraw/zinc/85/73/04/966857304.db2.gz YHFLZIFEDNTHTC-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1ccsc1C[N@H+]1Cc2ccncc2C1 ZINC001204022604 966857311 /nfs/dbraw/zinc/85/73/11/966857311.db2.gz YHFLZIFEDNTHTC-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccsc2)CCC1=O ZINC001204039856 966862949 /nfs/dbraw/zinc/86/29/49/966862949.db2.gz BKQZDAUNEYWNJO-UHFFFAOYSA-N 1 2 223.341 2.549 20 0 BFADLO CC1(C)C[N@H+](Cc2ccsc2)CCC1=O ZINC001204039856 966862940 /nfs/dbraw/zinc/86/29/40/966862940.db2.gz BKQZDAUNEYWNJO-UHFFFAOYSA-N 1 2 223.341 2.549 20 0 BFADLO Cc1cc2cc(N[C@@H](CO)C(C)(C)C)[nH+]cc2[nH]1 ZINC001168552951 966872530 /nfs/dbraw/zinc/87/25/30/966872530.db2.gz UJOFZRYEMGKDSA-LBPRGKRZSA-N 1 2 247.342 2.690 20 0 BFADLO CC(C)c1ccc(C[N@@H+]2CCC23COC3)cc1 ZINC001204165943 966907041 /nfs/dbraw/zinc/90/70/41/966907041.db2.gz LGYBTYFERUERSB-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO CC(C)c1ccc(C[N@H+]2CCC23COC3)cc1 ZINC001204165943 966907052 /nfs/dbraw/zinc/90/70/52/966907052.db2.gz LGYBTYFERUERSB-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(C2=CCOC2)cc1 ZINC001239490736 966918919 /nfs/dbraw/zinc/91/89/19/966918919.db2.gz ZGLMGERAWUIRHF-UHFFFAOYSA-N 1 2 226.279 2.501 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC001204223387 966931858 /nfs/dbraw/zinc/93/18/58/966931858.db2.gz HYHPDEIUZSOMGR-PELKAZGASA-N 1 2 229.245 2.755 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC001204223387 966931861 /nfs/dbraw/zinc/93/18/61/966931861.db2.gz HYHPDEIUZSOMGR-PELKAZGASA-N 1 2 229.245 2.755 20 0 BFADLO CCN(Cc1ccc(Cl)s1)C1C[NH+](C)C1 ZINC001204445514 967001030 /nfs/dbraw/zinc/00/10/30/967001030.db2.gz ZZHVBOAZIIEXFO-UHFFFAOYSA-N 1 2 244.791 2.537 20 0 BFADLO CCCOC1C[NH+](Cc2cccc(F)c2C)C1 ZINC001204512762 967018567 /nfs/dbraw/zinc/01/85/67/967018567.db2.gz MBVLSWNQELNMKQ-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccccc1Cc1c[nH+]c(C)c(N)c1 ZINC001249869643 967109448 /nfs/dbraw/zinc/10/94/48/967109448.db2.gz NIEZUJAWIBJOAS-UHFFFAOYSA-N 1 2 212.296 2.871 20 0 BFADLO c1ccc2[nH]c(C[NH+]3CC4(C3)CCCC4)nc2c1 ZINC001204750918 967143799 /nfs/dbraw/zinc/14/37/99/967143799.db2.gz ACEAKIKJRFSCSO-UHFFFAOYSA-N 1 2 241.338 2.939 20 0 BFADLO CCOC(=O)CCCCc1ccn2cc[nH+]c2c1 ZINC001249981520 967224364 /nfs/dbraw/zinc/22/43/64/967224364.db2.gz UGZCHOWEMUVTCY-UHFFFAOYSA-N 1 2 246.310 2.610 20 0 BFADLO Cc1ccc(-c2ccc(CO)c(C)c2C)[nH+]c1N ZINC001204949374 967251324 /nfs/dbraw/zinc/25/13/24/967251324.db2.gz FWTNZZKMSIHACV-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Fc1cc(Nc2ccn3cc[nH+]c3c2)ccn1 ZINC001204959701 967261830 /nfs/dbraw/zinc/26/18/30/967261830.db2.gz UVDQMQHGXLDHNN-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO Fc1cc(Nc2ccn3cc[nH+]c3c2)cc(F)n1 ZINC001204959634 967261891 /nfs/dbraw/zinc/26/18/91/967261891.db2.gz RNZREPOAAFXKRT-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)[C@H](C)C2)cc(C)c1F ZINC000094894866 967286591 /nfs/dbraw/zinc/28/65/91/967286591.db2.gz TVJDXNZCDZEJLZ-GFCCVEGCSA-N 1 2 249.329 2.853 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)[C@H](C)C2)cc(C)c1F ZINC000094894866 967286602 /nfs/dbraw/zinc/28/66/02/967286602.db2.gz TVJDXNZCDZEJLZ-GFCCVEGCSA-N 1 2 249.329 2.853 20 0 BFADLO CC(C)OCCC[NH2+]c1ccc(O)cc1 ZINC001168681339 967295748 /nfs/dbraw/zinc/29/57/48/967295748.db2.gz WVUPDFLZLOXIBY-UHFFFAOYSA-N 1 2 209.289 2.619 20 0 BFADLO Cc1noc(C)c1Cc1cc(C)c[nH+]c1C ZINC001250068459 967337003 /nfs/dbraw/zinc/33/70/03/967337003.db2.gz MLCWFWPKXOUSRN-UHFFFAOYSA-N 1 2 216.284 2.894 20 0 BFADLO CC[C@H](C)C[C@H](C)[NH2+]c1c[nH]c2cc(=O)[nH]c-2c1 ZINC001168691054 967383387 /nfs/dbraw/zinc/38/33/87/967383387.db2.gz SBKNDQIQGOSCFE-UWVGGRQHSA-N 1 2 247.342 2.813 20 0 BFADLO Nc1cc[nH+]c(-c2c(F)cc(F)c(F)c2F)c1 ZINC001205149303 967396415 /nfs/dbraw/zinc/39/64/15/967396415.db2.gz OFCXSQSJOKTQDO-UHFFFAOYSA-N 1 2 242.175 2.887 20 0 BFADLO c1cn2cc(-c3ncnc4occc43)ccc2[nH+]1 ZINC001240213519 967423277 /nfs/dbraw/zinc/42/32/77/967423277.db2.gz CKJLZMGOSRJULG-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO Cn1cnc2c1cccc2-c1ccc2[nH+]ccn2c1 ZINC001240219346 967429188 /nfs/dbraw/zinc/42/91/88/967429188.db2.gz HMGNMTOANQMXEF-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC001205256054 967447815 /nfs/dbraw/zinc/44/78/15/967447815.db2.gz QHRGHVNYCHKIOJ-TXEJJXNPSA-N 1 2 236.265 2.660 20 0 BFADLO F[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)C[C@@H]1F ZINC001205256054 967447825 /nfs/dbraw/zinc/44/78/25/967447825.db2.gz QHRGHVNYCHKIOJ-TXEJJXNPSA-N 1 2 236.265 2.660 20 0 BFADLO CCOc1cc(C)ccc1C[NH+]1CC(C)(OC)C1 ZINC001250170604 967469733 /nfs/dbraw/zinc/46/97/33/967469733.db2.gz AVTGNDJTJXHKJD-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001250171204 967474120 /nfs/dbraw/zinc/47/41/20/967474120.db2.gz IONBLRXXVBRKNY-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C)ccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001250171204 967474124 /nfs/dbraw/zinc/47/41/24/967474124.db2.gz IONBLRXXVBRKNY-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCn1nccc1Nc1[nH+]cc(C)cc1C ZINC001205282036 967476007 /nfs/dbraw/zinc/47/60/07/967476007.db2.gz TZVFKSSIEJARIS-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CNc1ccc(CC(=O)c2cccc(F)c2)c[nH+]1 ZINC001250235519 967548564 /nfs/dbraw/zinc/54/85/64/967548564.db2.gz PHTUWAWPSQIXJM-UHFFFAOYSA-N 1 2 244.269 2.688 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccnc(C(F)(F)F)c1 ZINC001240339259 967556141 /nfs/dbraw/zinc/55/61/41/967556141.db2.gz SAYIKNXTUOOUKC-QKVOYMTASA-N 1 2 228.217 2.976 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccnc1C ZINC001205346198 967564609 /nfs/dbraw/zinc/56/46/09/967564609.db2.gz UGPKFLMVKYDEMW-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO COc1cc(C)cc(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001143150956 967645512 /nfs/dbraw/zinc/64/55/12/967645512.db2.gz ZCBATOPPOCBOLG-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1cc(C)cc(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001143150956 967645544 /nfs/dbraw/zinc/64/55/44/967645544.db2.gz ZCBATOPPOCBOLG-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OCCNc1[nH+]cccc1-n1cccc1 ZINC001161788425 967647464 /nfs/dbraw/zinc/64/74/64/967647464.db2.gz XACHLNAVCHJETM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO O=C(Cc1ccc2[nH+]ccn2c1)c1cccs1 ZINC001250305867 967649542 /nfs/dbraw/zinc/64/95/42/967649542.db2.gz SSUHPHSCRQMFFT-UHFFFAOYSA-N 1 2 242.303 2.821 20 0 BFADLO CCOc1ccccc1CCn1cc[nH+]c1 ZINC001250315952 967677066 /nfs/dbraw/zinc/67/70/66/967677066.db2.gz ZDHLBBHVXHAUJJ-UHFFFAOYSA-N 1 2 216.284 2.525 20 0 BFADLO Cc1cc(C)cc(CCn2cc[nH+]c2)c1 ZINC001250315937 967679832 /nfs/dbraw/zinc/67/98/32/967679832.db2.gz XWHHFPPTHZBTQE-UHFFFAOYSA-N 1 2 200.285 2.743 20 0 BFADLO Cc1ccc(CCn2cc[nH+]c2)c(F)c1 ZINC001250316611 967689600 /nfs/dbraw/zinc/68/96/00/967689600.db2.gz OPHAWRLEVRTBQG-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO COc1ccc(CCn2cc[nH+]c2)c(C)c1C ZINC001250319312 967693011 /nfs/dbraw/zinc/69/30/11/967693011.db2.gz BVGLAPUFMICNMP-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO CCc1cccc(C)c1CCn1cc[nH+]c1 ZINC001250318987 967694572 /nfs/dbraw/zinc/69/45/72/967694572.db2.gz OSAZCPCRUYOCSX-UHFFFAOYSA-N 1 2 214.312 2.997 20 0 BFADLO CCOc1cc(CCn2cc[nH+]c2)ccc1OC ZINC001250318990 967694823 /nfs/dbraw/zinc/69/48/23/967694823.db2.gz OUEPKMFRIVGPRH-UHFFFAOYSA-N 1 2 246.310 2.533 20 0 BFADLO CCc1cc(CCn2cc[nH+]c2)ccc1OC ZINC001250320189 967696687 /nfs/dbraw/zinc/69/66/87/967696687.db2.gz IXKYBXKNXLRVAU-UHFFFAOYSA-N 1 2 230.311 2.697 20 0 BFADLO COc1cc(C)cc(F)c1CCn1cc[nH+]c1 ZINC001250320422 967697236 /nfs/dbraw/zinc/69/72/36/967697236.db2.gz LARFOGDHSVZSCS-UHFFFAOYSA-N 1 2 234.274 2.582 20 0 BFADLO CC(C)c1cc(CCn2cc[nH+]c2)ccc1O ZINC001250321212 967698846 /nfs/dbraw/zinc/69/88/46/967698846.db2.gz XWXNWESTBKUAGI-UHFFFAOYSA-N 1 2 230.311 2.955 20 0 BFADLO Nc1cn2ccc(NC(C3CC3)C3CC3)cc2[nH+]1 ZINC001168743784 967717929 /nfs/dbraw/zinc/71/79/29/967717929.db2.gz OHGXGNDVGYEZLQ-UHFFFAOYSA-N 1 2 242.326 2.517 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001205617423 967727895 /nfs/dbraw/zinc/72/78/95/967727895.db2.gz XNPDDUOVXSPXLP-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001205617423 967727905 /nfs/dbraw/zinc/72/79/05/967727905.db2.gz XNPDDUOVXSPXLP-GFCCVEGCSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1[nH]c2ccc(CC3CCOCC3)cc2[nH+]1 ZINC001250395965 967811999 /nfs/dbraw/zinc/81/19/99/967811999.db2.gz RWKCGRZYJUNIEQ-UHFFFAOYSA-N 1 2 230.311 2.840 20 0 BFADLO CCc1[nH+]c2ccc(OC)cc2n1C1CC1 ZINC001250426799 967842898 /nfs/dbraw/zinc/84/28/98/967842898.db2.gz VDOSFNSNHURTPF-UHFFFAOYSA-N 1 2 216.284 2.942 20 0 BFADLO CNc1cc(N(C)Cc2ccc(C)s2)nc[nH+]1 ZINC000703234273 967845301 /nfs/dbraw/zinc/84/53/01/967845301.db2.gz PTPCZQWOMROYEK-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CNc1cc(N(C)Cc2ccc(C)s2)[nH+]cn1 ZINC000703234273 967845304 /nfs/dbraw/zinc/84/53/04/967845304.db2.gz PTPCZQWOMROYEK-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CCOc1ccc2[nH]c(C3CCOCC3)[nH+]c2c1 ZINC001250433685 967850941 /nfs/dbraw/zinc/85/09/41/967850941.db2.gz WRHCZQQZFSPZKZ-UHFFFAOYSA-N 1 2 246.310 2.856 20 0 BFADLO Cc1cc(F)cc2[nH+]c(C3CCOCC3)[nH]c21 ZINC001250433135 967851329 /nfs/dbraw/zinc/85/13/29/967851329.db2.gz GXICWTVYWSEJLN-UHFFFAOYSA-N 1 2 234.274 2.904 20 0 BFADLO COCOc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC001250431786 967851475 /nfs/dbraw/zinc/85/14/75/967851475.db2.gz SCFHWVPIUBONSC-UHFFFAOYSA-N 1 2 232.283 2.813 20 0 BFADLO Cc1sccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205851981 967853918 /nfs/dbraw/zinc/85/39/18/967853918.db2.gz DRGCUNQJNMQFAR-GWCFXTLKSA-N 1 2 238.400 2.616 20 0 BFADLO Cc1sccc1C[N@H+]1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205851981 967853921 /nfs/dbraw/zinc/85/39/21/967853921.db2.gz DRGCUNQJNMQFAR-GWCFXTLKSA-N 1 2 238.400 2.616 20 0 BFADLO CC(C)(Nc1ccc2c([nH+]1)CCOC2)C1CC1 ZINC001162517536 967854071 /nfs/dbraw/zinc/85/40/71/967854071.db2.gz VZLKHRGDYWIQKX-UHFFFAOYSA-N 1 2 232.327 2.755 20 0 BFADLO Cc1ccnc(F)c1Nc1cccc2[nH+]ccn21 ZINC001212554149 967870228 /nfs/dbraw/zinc/87/02/28/967870228.db2.gz KRDVWBGNOCMUEJ-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CN(C)c1ccc2[nH]c(-c3cccnc3)[nH+]c2c1 ZINC001250474193 967901002 /nfs/dbraw/zinc/90/10/02/967901002.db2.gz FQGKPPXFIWCQAE-UHFFFAOYSA-N 1 2 238.294 2.691 20 0 BFADLO CCCN(CC)c1ccc(Cl)c(N)[nH+]1 ZINC001163607075 968084112 /nfs/dbraw/zinc/08/41/12/968084112.db2.gz TXVIDVHPOPIENS-UHFFFAOYSA-N 1 2 213.712 2.554 20 0 BFADLO Cn1c(CC2CC2)[nH+]c2ccc(F)c(F)c21 ZINC001250572838 968092587 /nfs/dbraw/zinc/09/25/87/968092587.db2.gz KFGGRQYRGBZATK-UHFFFAOYSA-N 1 2 222.238 2.804 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccccc1O ZINC001206219689 968150014 /nfs/dbraw/zinc/15/00/14/968150014.db2.gz YZQWUZUADVUHRF-UHFFFAOYSA-N 1 2 239.278 2.622 20 0 BFADLO CC1(C)C[NH+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001119304649 968318709 /nfs/dbraw/zinc/31/87/09/968318709.db2.gz WHUNOBGKESDWND-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO Cc1cc(-c2cc3n[nH]cc3c(F)c2)c[nH+]c1N ZINC001206587078 968404462 /nfs/dbraw/zinc/40/44/62/968404462.db2.gz JQDMLQKZQOOSCI-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO COc1cc(Nc2cc(O)cc(F)c2)cc(C)[nH+]1 ZINC001206774059 968466340 /nfs/dbraw/zinc/46/63/40/968466340.db2.gz BZYXPUSUWXADLF-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO C[N@H+](Cc1ccc(F)cc1)Cc1ncccc1F ZINC001207026494 968561416 /nfs/dbraw/zinc/56/14/16/968561416.db2.gz LHSUMEWSSFCWNA-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccc(F)cc1)Cc1ncccc1F ZINC001207026494 968561422 /nfs/dbraw/zinc/56/14/22/968561422.db2.gz LHSUMEWSSFCWNA-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO CCCCCN(C)Cc1[nH+]cc2ccccn21 ZINC001207048547 968581268 /nfs/dbraw/zinc/58/12/68/968581268.db2.gz UXMZZFZXEWPHFN-UHFFFAOYSA-N 1 2 231.343 2.956 20 0 BFADLO FC[C@@H]1CCC[N@H+](Cc2ncc(F)cc2F)C1 ZINC001207096993 968626566 /nfs/dbraw/zinc/62/65/66/968626566.db2.gz KUFWMPBLKGWLSA-VIFPVBQESA-N 1 2 244.260 2.541 20 0 BFADLO FC[C@@H]1CCC[N@@H+](Cc2ncc(F)cc2F)C1 ZINC001207096993 968626571 /nfs/dbraw/zinc/62/65/71/968626571.db2.gz KUFWMPBLKGWLSA-VIFPVBQESA-N 1 2 244.260 2.541 20 0 BFADLO Fc1cnc(C[N@@H+]2CCCCC23CC3)c(F)c1 ZINC001207098659 968630300 /nfs/dbraw/zinc/63/03/00/968630300.db2.gz FDOUNOMANQJXDU-UHFFFAOYSA-N 1 2 238.281 2.878 20 0 BFADLO Fc1cnc(C[N@H+]2CCCCC23CC3)c(F)c1 ZINC001207098659 968630306 /nfs/dbraw/zinc/63/03/06/968630306.db2.gz FDOUNOMANQJXDU-UHFFFAOYSA-N 1 2 238.281 2.878 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001207133469 968647969 /nfs/dbraw/zinc/64/79/69/968647969.db2.gz OFIRXMPBHFJPPZ-RYUDHWBXSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001207133469 968647975 /nfs/dbraw/zinc/64/79/75/968647975.db2.gz OFIRXMPBHFJPPZ-RYUDHWBXSA-N 1 2 244.285 2.563 20 0 BFADLO Oc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240785538 968688168 /nfs/dbraw/zinc/68/81/68/968688168.db2.gz DLHXCCBGQJEPBB-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C=Cc1ccc(-n2cc[nH+]c2)cc1OC ZINC001240834004 968741088 /nfs/dbraw/zinc/74/10/88/968741088.db2.gz ZJHDFVIUTRKXCZ-UHFFFAOYSA-N 1 2 200.241 2.524 20 0 BFADLO Fc1ccccc1CC[NH+]1CC2(C1)CCCCO2 ZINC001207496172 968806773 /nfs/dbraw/zinc/80/67/73/968806773.db2.gz BDLWXCVLBFRZCX-UHFFFAOYSA-N 1 2 249.329 2.623 20 0 BFADLO C[C@H](CCCC(C)(C)O)CC[NH+]1CC(F)C1 ZINC001207633855 968852299 /nfs/dbraw/zinc/85/22/99/968852299.db2.gz BDNRDSWWDJSTJW-LLVKDONJSA-N 1 2 231.355 2.608 20 0 BFADLO Clc1ccc(-c2nnc(C[NH+]3CCC3)o2)cc1 ZINC001252758448 968935908 /nfs/dbraw/zinc/93/59/08/968935908.db2.gz PRJAPUHHSSLDNV-UHFFFAOYSA-N 1 2 249.701 2.596 20 0 BFADLO Cc1ccc(CCC[N@@H+]2Cc3cccnc3C2)o1 ZINC001207936657 968936948 /nfs/dbraw/zinc/93/69/48/968936948.db2.gz BQFWSNWTCGISID-UHFFFAOYSA-N 1 2 242.322 2.931 20 0 BFADLO Cc1ccc(CCC[N@H+]2Cc3cccnc3C2)o1 ZINC001207936657 968936954 /nfs/dbraw/zinc/93/69/54/968936954.db2.gz BQFWSNWTCGISID-UHFFFAOYSA-N 1 2 242.322 2.931 20 0 BFADLO COc1c(F)c(F)ccc1-c1cc[nH+]c(N)c1 ZINC001241175681 968946548 /nfs/dbraw/zinc/94/65/48/968946548.db2.gz JWKWOBBCTZJXQW-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO c1ncc2c(n1)C[N@H+](CCCC1CCCC1)C2 ZINC001208087307 968992931 /nfs/dbraw/zinc/99/29/31/968992931.db2.gz HCSQIUOWMYKKRI-UHFFFAOYSA-N 1 2 231.343 2.763 20 0 BFADLO c1ncc2c(n1)C[N@@H+](CCCC1CCCC1)C2 ZINC001208087307 968992940 /nfs/dbraw/zinc/99/29/40/968992940.db2.gz HCSQIUOWMYKKRI-UHFFFAOYSA-N 1 2 231.343 2.763 20 0 BFADLO CS[C@H](C)CC[NH+]1CC(F)(C2CC2)C1 ZINC001208137131 969048758 /nfs/dbraw/zinc/04/87/58/969048758.db2.gz CRZCNVUHNDDGQC-SECBINFHSA-N 1 2 217.353 2.562 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccnc(Br)c1 ZINC001241709376 969087191 /nfs/dbraw/zinc/08/71/91/969087191.db2.gz FFCGMLMLVZOKLY-QKVOYMTASA-N 1 2 239.116 2.720 20 0 BFADLO Cc1cc(-c2cscn2)cn2cc[nH+]c12 ZINC001241890172 969131232 /nfs/dbraw/zinc/13/12/32/969131232.db2.gz JDWRMCUEIHLRGB-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Cc1cc(-c2cnn(C3CC3)c2)cn2cc[nH+]c12 ZINC001241908103 969139695 /nfs/dbraw/zinc/13/96/95/969139695.db2.gz ZZXKHEJLOITZCT-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO Cc1cc(-c2cnn(C3CC3)c2)c2[nH+]ccn2c1 ZINC001241907827 969140024 /nfs/dbraw/zinc/14/00/24/969140024.db2.gz OWLGLOBGHIHYDF-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO C[C@H](CC(F)(F)F)[NH2+]CC(C)(F)F ZINC000382190997 969171618 /nfs/dbraw/zinc/17/16/18/969171618.db2.gz BSXOFGPERICDSS-RXMQYKEDSA-N 1 2 205.170 2.572 20 0 BFADLO Cc1ccc(-c2ccc3c(c2)CCC3=O)[nH+]c1N ZINC001242154435 969214630 /nfs/dbraw/zinc/21/46/30/969214630.db2.gz SVUFWUPEWCHRCR-UHFFFAOYSA-N 1 2 238.290 2.768 20 0 BFADLO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)nc1 ZINC001168854814 969234562 /nfs/dbraw/zinc/23/45/62/969234562.db2.gz QJWHQNAVZPQFBQ-SNVBAGLBSA-N 1 2 228.299 2.662 20 0 BFADLO c1c(CCNc2ccccc2)[nH+]c2ccccn12 ZINC001169004301 969330320 /nfs/dbraw/zinc/33/03/20/969330320.db2.gz GFCRHMNHUBHVRZ-UHFFFAOYSA-N 1 2 237.306 2.989 20 0 BFADLO Fc1cc(F)cc(CC[N@H+]2CCC[C@H](F)C2)c1 ZINC001209139463 969352705 /nfs/dbraw/zinc/35/27/05/969352705.db2.gz YTWKDCDDDBPLIU-NSHDSACASA-N 1 2 243.272 2.941 20 0 BFADLO Fc1cc(F)cc(CC[N@@H+]2CCC[C@H](F)C2)c1 ZINC001209139463 969352709 /nfs/dbraw/zinc/35/27/09/969352709.db2.gz YTWKDCDDDBPLIU-NSHDSACASA-N 1 2 243.272 2.941 20 0 BFADLO CCCCOC1C[NH+](CCOc2ccccc2)C1 ZINC001209304007 969433703 /nfs/dbraw/zinc/43/37/03/969433703.db2.gz XBVBVYGXRGXSEN-UHFFFAOYSA-N 1 2 249.354 2.566 20 0 BFADLO C[C@@H]1C[C@H]1C[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425555 969490299 /nfs/dbraw/zinc/49/02/99/969490299.db2.gz FQKVZFOGDHKHQW-BDAKNGLRSA-N 1 2 222.719 2.707 20 0 BFADLO C[C@@H]1C[C@H]1C[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001209425555 969490304 /nfs/dbraw/zinc/49/03/04/969490304.db2.gz FQKVZFOGDHKHQW-BDAKNGLRSA-N 1 2 222.719 2.707 20 0 BFADLO F[C@@H]1C[NH+](C2CCC(F)(F)CC2)C[C@H]1F ZINC001254218408 969543180 /nfs/dbraw/zinc/54/31/80/969543180.db2.gz GGNCQOWRWWGWII-RKDXNWHRSA-N 1 2 225.229 2.556 20 0 BFADLO Nc1ccc(N[C@@H](C2CCC2)C(F)(F)F)c[nH+]1 ZINC001169286422 969552340 /nfs/dbraw/zinc/55/23/40/969552340.db2.gz VOZIKOGNUXUKPP-JTQLQIEISA-N 1 2 245.248 2.807 20 0 BFADLO Fc1c[nH+]ccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169284724 969555531 /nfs/dbraw/zinc/55/55/31/969555531.db2.gz BWKKCJIWLQUCJM-SNVBAGLBSA-N 1 2 248.223 2.786 20 0 BFADLO CC[N@H+](Cc1ccccc1)Cc1cnccc1N ZINC001209728750 969582825 /nfs/dbraw/zinc/58/28/25/969582825.db2.gz UUAJUSJQNTWGHT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO CC[N@@H+](Cc1ccccc1)Cc1cnccc1N ZINC001209728750 969582828 /nfs/dbraw/zinc/58/28/28/969582828.db2.gz UUAJUSJQNTWGHT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccn2cc(C[NH+]3CC4(CCC4)C3)nc12 ZINC001209735380 969599433 /nfs/dbraw/zinc/59/94/33/969599433.db2.gz HFTYWBQBKWJNDM-UHFFFAOYSA-N 1 2 241.338 2.629 20 0 BFADLO Cc1cn2cccc(Nc3ncccc3F)c2[nH+]1 ZINC001209806266 969631633 /nfs/dbraw/zinc/63/16/33/969631633.db2.gz WVOBHDYPDPXQHQ-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1nc(C[N@@H+](C)C2CCC3(CC3)CC2)no1 ZINC001254441860 969632533 /nfs/dbraw/zinc/63/25/33/969632533.db2.gz XBTSVIWSGSALPK-UHFFFAOYSA-N 1 2 235.331 2.533 20 0 BFADLO Cc1nc(C[N@H+](C)C2CCC3(CC3)CC2)no1 ZINC001254441860 969632537 /nfs/dbraw/zinc/63/25/37/969632537.db2.gz XBTSVIWSGSALPK-UHFFFAOYSA-N 1 2 235.331 2.533 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc2[nH]nc(N)c2c1 ZINC001209854620 969668971 /nfs/dbraw/zinc/66/89/71/969668971.db2.gz WMYWICFIMURKEQ-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO c1cc2cc[nH+]cc2c(Nc2ccnnc2)c1 ZINC001209961377 969720786 /nfs/dbraw/zinc/72/07/86/969720786.db2.gz REHAVQCVSGGSBY-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)c2cnccn2)c1C ZINC001169533652 969728605 /nfs/dbraw/zinc/72/86/05/969728605.db2.gz OOLQZFFYIMEXRB-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO Cc1nc(NC[C@H](C)c2ccc(O)cc2)cc[nH+]1 ZINC001169539546 969735287 /nfs/dbraw/zinc/73/52/87/969735287.db2.gz NJSLKAGFGQYEDK-JTQLQIEISA-N 1 2 243.310 2.706 20 0 BFADLO Oc1cc(F)ccc1Nc1cccn2cc[nH+]c12 ZINC001210014179 969756910 /nfs/dbraw/zinc/75/69/10/969756910.db2.gz GIQKEGQVKDWTIE-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO O[C@H]1c2ccccc2CC[C@H]1Nc1cccc[nH+]1 ZINC001169612889 969795038 /nfs/dbraw/zinc/79/50/38/969795038.db2.gz IZVFEYHQSBAWOT-HIFRSBDPSA-N 1 2 240.306 2.542 20 0 BFADLO Cc1cc2n[nH]cc2cc1Nc1[nH+]cccc1N ZINC001210100188 969798097 /nfs/dbraw/zinc/79/80/97/969798097.db2.gz ISUUVHZOYJIFNE-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO CC[C@H](C[C@@H](C)CC)OCC[NH+]1CCOCC1 ZINC001210207904 969818904 /nfs/dbraw/zinc/81/89/04/969818904.db2.gz PFHCMGPXONTTOL-UONOGXRCSA-N 1 2 243.391 2.550 20 0 BFADLO Oc1c(F)cccc1Nc1cccn2cc[nH+]c12 ZINC001210194992 969826749 /nfs/dbraw/zinc/82/67/49/969826749.db2.gz JIGWLSLZIGFQAJ-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO c1cc(Nc2cccc3cc[nH+]cc32)on1 ZINC001210223648 969839065 /nfs/dbraw/zinc/83/90/65/969839065.db2.gz BWZLPQMLUBKPSK-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO Cc1[nH+]cc(Nc2cnccc2C2CC2)cc1N ZINC001210287265 969854194 /nfs/dbraw/zinc/85/41/94/969854194.db2.gz OMRZZMHYQXEJIH-UHFFFAOYSA-N 1 2 240.310 2.988 20 0 BFADLO CCc1ncsc1Nc1c[nH+]c(C)c(N)c1 ZINC001210288892 969856218 /nfs/dbraw/zinc/85/62/18/969856218.db2.gz WFYRLKZPGFYBAO-UHFFFAOYSA-N 1 2 234.328 2.735 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)ccc1O ZINC001210288956 969857188 /nfs/dbraw/zinc/85/71/88/969857188.db2.gz ZJAJNHNQPYGKRA-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1[nH+]cc(Nc2cccc(F)c2)cc1N ZINC001210288383 969857972 /nfs/dbraw/zinc/85/79/72/969857972.db2.gz OYMFGLOCSLDMHY-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO Cc1ccc(N)cc1Nc1c[nH+]c(C)c(N)c1 ZINC001210290203 969858886 /nfs/dbraw/zinc/85/88/86/969858886.db2.gz GGZDRBQKORYHFG-UHFFFAOYSA-N 1 2 228.299 2.606 20 0 BFADLO Cc1[nH+]cc(Nc2cccc3cnoc32)cc1N ZINC001210291932 969859444 /nfs/dbraw/zinc/85/94/44/969859444.db2.gz UMJXFJFLQJYDBH-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO COc1cccc(F)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210290555 969859753 /nfs/dbraw/zinc/85/97/53/969859753.db2.gz NYVJPCHHJSXWEJ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH+]cc(Nc2cccc3c2CCO3)cc1N ZINC001210290376 969860501 /nfs/dbraw/zinc/86/05/01/969860501.db2.gz KXMXSJKRGMZBRM-UHFFFAOYSA-N 1 2 241.294 2.651 20 0 BFADLO Cc1[nH+]cc(Nc2ccccc2[C@@H](C)O)cc1N ZINC001210291944 969860541 /nfs/dbraw/zinc/86/05/41/969860541.db2.gz UXYDYCTVALLEKA-SNVBAGLBSA-N 1 2 243.310 2.769 20 0 BFADLO COc1cc[nH+]c(Nc2cnn(C(C)C)c2)c1 ZINC001210318119 969864244 /nfs/dbraw/zinc/86/42/44/969864244.db2.gz ONGVZPFCPHCWJI-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO COc1cc(F)ccc1Nc1[nH+]cc(C)cc1N ZINC000090691029 969884678 /nfs/dbraw/zinc/88/46/78/969884678.db2.gz NGNGFSNFFOHJCY-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COc1cc(Nc2ccc(C)nc2F)cc(C)[nH+]1 ZINC001210776519 970028660 /nfs/dbraw/zinc/02/86/60/970028660.db2.gz QAEWCKZRJJPXFZ-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CC1(C)CCC([N@@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001255306357 970071583 /nfs/dbraw/zinc/07/15/83/970071583.db2.gz IBGFHEIEGKPIDB-NSHDSACASA-N 1 2 247.329 2.657 20 0 BFADLO CC1(C)CCC([N@H+]2CC[C@H](O)C(F)(F)C2)CC1 ZINC001255306357 970071592 /nfs/dbraw/zinc/07/15/92/970071592.db2.gz IBGFHEIEGKPIDB-NSHDSACASA-N 1 2 247.329 2.657 20 0 BFADLO [NH2+]=CNc1ccc2cccc(Cl)c2n1 ZINC001157079369 970079570 /nfs/dbraw/zinc/07/95/70/970079570.db2.gz YHZXSUJPUQCVDK-UHFFFAOYSA-N 1 2 205.648 2.907 20 0 BFADLO CCCn1nccc1-c1ccc2[nH+]c(C)cn2c1 ZINC001242845410 970095906 /nfs/dbraw/zinc/09/59/06/970095906.db2.gz XXBHIJVKSFWYSD-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO CCCC(C)(C)CC(=O)OCc1c[nH+]cn1C ZINC000786439209 970103004 /nfs/dbraw/zinc/10/30/04/970103004.db2.gz SGIZLVSNOLSBON-UHFFFAOYSA-N 1 2 238.331 2.680 20 0 BFADLO Cn1c[nH+]c2cc(Nc3nccs3)ccc21 ZINC001210992809 970107236 /nfs/dbraw/zinc/10/72/36/970107236.db2.gz AVPXWIPMDSRYCD-UHFFFAOYSA-N 1 2 230.296 2.773 20 0 BFADLO COc1cc(N)ccc1Nc1ccc(C)c[nH+]1 ZINC001211011964 970116624 /nfs/dbraw/zinc/11/66/24/970116624.db2.gz MAVHFNQFTYFRBI-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(C)cn1 ZINC001211014415 970117279 /nfs/dbraw/zinc/11/72/79/970117279.db2.gz ZEHDMBXFLYXEBH-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO COCc1cncc(Nc2[nH+]cc(C)cc2C)c1 ZINC001211078078 970137923 /nfs/dbraw/zinc/13/79/23/970137923.db2.gz JQHVJEHBAFTOJP-UHFFFAOYSA-N 1 2 243.310 2.983 20 0 BFADLO COCc1cncc(Nc2c[nH+]c(C)cc2C)c1 ZINC001211075980 970137991 /nfs/dbraw/zinc/13/79/91/970137991.db2.gz XGFNEKXLHQNMEO-UHFFFAOYSA-N 1 2 243.310 2.983 20 0 BFADLO CC[C@H](C)Nc1[nH+]cc(C)cc1/C=C/C(=O)OC ZINC001157236566 970163586 /nfs/dbraw/zinc/16/35/86/970163586.db2.gz DVABNJGJNYTHGT-MLRMMBSGSA-N 1 2 248.326 2.787 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(F)c(O)c1 ZINC001211213630 970174028 /nfs/dbraw/zinc/17/40/28/970174028.db2.gz FXFTWQKRHMONLU-UHFFFAOYSA-N 1 2 234.230 2.684 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1cc(F)c(O)cc1F ZINC001211359449 970252597 /nfs/dbraw/zinc/25/25/97/970252597.db2.gz HKNHLGRNKHQMNX-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO Cn1c[nH+]cc1-c1cnc2cc(F)ccc2c1 ZINC001243067559 970254161 /nfs/dbraw/zinc/25/41/61/970254161.db2.gz XVSRQIAJNTXYCW-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ccccn2)nc1 ZINC001243068973 970264546 /nfs/dbraw/zinc/26/45/46/970264546.db2.gz LOXINUAWFLNRHT-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO FC(F)(F)C1CCC([N@@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001255522158 970283192 /nfs/dbraw/zinc/28/31/92/970283192.db2.gz MNHFYPGGIYLFDD-LXKPXOPUSA-N 1 2 249.276 2.581 20 0 BFADLO FC(F)(F)C1CCC([N@H+]2CCO[C@H]3C[C@H]32)CC1 ZINC001255522158 970283201 /nfs/dbraw/zinc/28/32/01/970283201.db2.gz MNHFYPGGIYLFDD-LXKPXOPUSA-N 1 2 249.276 2.581 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1-n1cccc1N ZINC001213495135 970323271 /nfs/dbraw/zinc/32/32/71/970323271.db2.gz RRROSHIKHKTLPK-UHFFFAOYSA-N 1 2 213.284 2.640 20 0 BFADLO Cc1cc(C)c(Nc2cn(CCF)cn2)c[nH+]1 ZINC001213510377 970330812 /nfs/dbraw/zinc/33/08/12/970330812.db2.gz AEMOOQGDDSGYIQ-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO COc1ncc(Nc2c[nH+]c(C)cc2C)c(C)n1 ZINC001213508517 970331655 /nfs/dbraw/zinc/33/16/55/970331655.db2.gz WCHNEGPHHWVBPF-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO COc1cccnc1Nc1c[nH+]c(C)cc1C ZINC001213505953 970334545 /nfs/dbraw/zinc/33/45/45/970334545.db2.gz VQTBNIVRDBMKHK-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cc(C)c(Nc2noc3cccnc32)c[nH+]1 ZINC001213503432 970335855 /nfs/dbraw/zinc/33/58/55/970335855.db2.gz FOEXCTGENXJILB-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1cc(C)c(Nc2c(N)cccc2O)c[nH+]1 ZINC001213518608 970337876 /nfs/dbraw/zinc/33/78/76/970337876.db2.gz XYAMZOIVWAYHAM-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1cc(C)c(Nc2cccc(N)c2O)c[nH+]1 ZINC001213520866 970341902 /nfs/dbraw/zinc/34/19/02/970341902.db2.gz KCQAWVYCBSZPAP-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO COc1nccc(Nc2c[nH+]c(C)cc2C)c1F ZINC001213510900 970342940 /nfs/dbraw/zinc/34/29/40/970342940.db2.gz LHZZFCBUKZGPDV-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(N(C)C)nc2)c1C ZINC001213522835 970344996 /nfs/dbraw/zinc/34/49/96/970344996.db2.gz HHMWVJFOYJRLLV-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1c[nH]c(=O)cc1Nc1c[nH+]cc(C)c1C ZINC001213527138 970345019 /nfs/dbraw/zinc/34/50/19/970345019.db2.gz ANGOLKHLOOHIDK-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO COC(=O)c1ccc(Nc2c[nH+]cc(C)c2C)o1 ZINC001213524887 970346293 /nfs/dbraw/zinc/34/62/93/970346293.db2.gz HXSLZUYGOBYIES-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO COC(=O)c1occc1Nc1c[nH+]cc(C)c1C ZINC001213525490 970347031 /nfs/dbraw/zinc/34/70/31/970347031.db2.gz ZNWZEDLBQPZPTG-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO CCn1cc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213522839 970348409 /nfs/dbraw/zinc/34/84/09/970348409.db2.gz HNYAOBZZZGFLNR-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO COCc1ccc(C)c(Nc2[nH+]cccc2N)c1 ZINC001213570529 970361126 /nfs/dbraw/zinc/36/11/26/970361126.db2.gz AVCARUPGAPVUNC-UHFFFAOYSA-N 1 2 243.310 2.862 20 0 BFADLO Cc1ccc(Cl)c(NC2C[NH+](C(C)C)C2)n1 ZINC001157526725 970409248 /nfs/dbraw/zinc/40/92/48/970409248.db2.gz YAGUQYCSVBKYMR-UHFFFAOYSA-N 1 2 239.750 2.548 20 0 BFADLO Nc1ccc(F)cc1Nc1cccn2cc[nH+]c12 ZINC001214197877 970462100 /nfs/dbraw/zinc/46/21/00/970462100.db2.gz FEKDZXGOHNSFQG-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO Cc1ccc(C[C@@H](C)[NH+]2C[C@@H](F)[C@H](F)C2)cc1 ZINC001255787768 970492037 /nfs/dbraw/zinc/49/20/37/970492037.db2.gz OMSBDAZSLYTDHK-MRVWCRGKSA-N 1 2 239.309 2.918 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)cc1CO ZINC001214450844 970498208 /nfs/dbraw/zinc/49/82/08/970498208.db2.gz CKVJJTTUNPBFHA-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC1(F)F ZINC001255856511 970520731 /nfs/dbraw/zinc/52/07/31/970520731.db2.gz VBQBXQKFDDOQGC-GZMMTYOYSA-N 1 2 229.245 2.754 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CO[C@@H](C)C1 ZINC000401822126 970732328 /nfs/dbraw/zinc/73/23/28/970732328.db2.gz FCQAUCNEEKEQOQ-NWDGAFQWSA-N 1 2 234.343 2.650 20 0 BFADLO C[C@@H]1CC[C@H](c2nnc(C[NH+](C)C)o2)C[C@@H]1C ZINC001327353995 972557870 /nfs/dbraw/zinc/55/78/70/972557870.db2.gz OBPUERRLIQXBSW-VWYCJHECSA-N 1 2 237.347 2.671 20 0 BFADLO Cn1c[nH+]cc1CO[C@@H]1CCc2ccccc21 ZINC001222587758 972586885 /nfs/dbraw/zinc/58/68/85/972586885.db2.gz UGJKFSGSQOZNDC-CQSZACIVSA-N 1 2 228.295 2.624 20 0 BFADLO Cc1cccc2c1[C@H](OCc1c[nH+]cn1C)CC2 ZINC001222585848 972588905 /nfs/dbraw/zinc/58/89/05/972588905.db2.gz KOGRAMGFFNZTOO-CQSZACIVSA-N 1 2 242.322 2.933 20 0 BFADLO Cn1c[nH+]cc1CO[C@@H]1CCCC(C)(C)C1 ZINC001222600386 972599762 /nfs/dbraw/zinc/59/97/62/972599762.db2.gz NTMDMAZMGGQOKL-GFCCVEGCSA-N 1 2 222.332 2.906 20 0 BFADLO CCC1(CC)CCC[N@H+](Cc2nnc[nH]2)CC1 ZINC001327523689 972613689 /nfs/dbraw/zinc/61/36/89/972613689.db2.gz CCZPAWJZPXXRCX-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO CCC1(CC)CCC[N@@H+](Cc2nnc[nH]2)CC1 ZINC001327523689 972613699 /nfs/dbraw/zinc/61/36/99/972613699.db2.gz CCZPAWJZPXXRCX-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO CCC[N@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541459 972862141 /nfs/dbraw/zinc/86/21/41/972862141.db2.gz GCWMQQRQZOVUET-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO CCC[N@@H+](C)Cc1c(F)cc(O)cc1F ZINC001144541459 972862150 /nfs/dbraw/zinc/86/21/50/972862150.db2.gz GCWMQQRQZOVUET-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144541142 972862515 /nfs/dbraw/zinc/86/25/15/972862515.db2.gz CAGFUEJYYHMWKO-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2c(F)cc(O)cc2F)C1 ZINC001144541142 972862520 /nfs/dbraw/zinc/86/25/20/972862520.db2.gz CAGFUEJYYHMWKO-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO Oc1cc(F)c(C[N@@H+]2CCCC23CC3)cc1F ZINC001144646768 972903727 /nfs/dbraw/zinc/90/37/27/972903727.db2.gz JHRPJSNXAIYXKC-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1cc(F)c(C[N@H+]2CCCC23CC3)cc1F ZINC001144646768 972903738 /nfs/dbraw/zinc/90/37/38/972903738.db2.gz JHRPJSNXAIYXKC-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC001144709738 972961181 /nfs/dbraw/zinc/96/11/81/972961181.db2.gz GJIIMHOMYTZZCU-TXEJJXNPSA-N 1 2 236.265 2.660 20 0 BFADLO F[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)C[C@@H]1F ZINC001144709738 972961193 /nfs/dbraw/zinc/96/11/93/972961193.db2.gz GJIIMHOMYTZZCU-TXEJJXNPSA-N 1 2 236.265 2.660 20 0 BFADLO CC[C@@H]1CCC[C@H](C)N1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001328431872 973052267 /nfs/dbraw/zinc/05/22/67/973052267.db2.gz LEYQCZDHTBUOHI-RWMBFGLXSA-N 1 2 249.358 2.624 20 0 BFADLO CC[C@@H](COCc1cc(C)[nH+]c(C)c1)OC ZINC001223425799 973067826 /nfs/dbraw/zinc/06/78/26/973067826.db2.gz VGPDXGPJZVYWAM-ZDUSSCGKSA-N 1 2 223.316 2.640 20 0 BFADLO C[NH+](C)Cc1nnc([C@H]2CCCC[C@@H]2C2CC2)o1 ZINC001329146271 973514181 /nfs/dbraw/zinc/51/41/81/973514181.db2.gz HETWTVVAPPELGO-NEPJUHHUSA-N 1 2 249.358 2.815 20 0 BFADLO c1nc2cccc(CNc3cccc[nH+]3)c2o1 ZINC001171448112 974071444 /nfs/dbraw/zinc/07/14/44/974071444.db2.gz DOZZBDPBGGFQGJ-UHFFFAOYSA-N 1 2 225.251 2.835 20 0 BFADLO Cc1nc(NCc2cccc3ncoc32)cc[nH+]1 ZINC001171459497 974075978 /nfs/dbraw/zinc/07/59/78/974075978.db2.gz DQGFDHMCOMKGBH-UHFFFAOYSA-N 1 2 240.266 2.538 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@@H](CC)OC ZINC001224965582 974107340 /nfs/dbraw/zinc/10/73/40/974107340.db2.gz LLWKBGFMXQEJJI-LLVKDONJSA-N 1 2 231.336 2.612 20 0 BFADLO Cc1ccc(C(C)C)cc1OC1C[NH+](C)C1 ZINC001225222529 974256149 /nfs/dbraw/zinc/25/61/49/974256149.db2.gz CVVHYWLSKWCPBB-UHFFFAOYSA-N 1 2 219.328 2.811 20 0 BFADLO C[C@H](Oc1cc[nH+]cc1)c1cnc2ccccn21 ZINC001225290258 974358990 /nfs/dbraw/zinc/35/89/90/974358990.db2.gz WVDWIOBFFINLCP-NSHDSACASA-N 1 2 239.278 2.869 20 0 BFADLO c1cc(OC[C@@H]2CC[C@]3(CCCCO3)O2)cc[nH+]1 ZINC001225290658 974363352 /nfs/dbraw/zinc/36/33/52/974363352.db2.gz FBTFSRVWCSIVSB-KBPBESRZSA-N 1 2 249.310 2.536 20 0 BFADLO C[C@@H]1c2cnccc2C[C@@H]1Oc1cc[nH+]cc1 ZINC001225294215 974368588 /nfs/dbraw/zinc/36/85/88/974368588.db2.gz HJUIGJMFWWDUJQ-YGRLFVJLSA-N 1 2 226.279 2.584 20 0 BFADLO CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001225295988 974369272 /nfs/dbraw/zinc/36/92/72/974369272.db2.gz PKEIBWIBYISUQW-DGCLKSJQSA-N 1 2 249.310 2.582 20 0 BFADLO CC(C)c1ncccc1OC1C[NH+](C(C)C)C1 ZINC001225524336 974538805 /nfs/dbraw/zinc/53/88/05/974538805.db2.gz MBKYZFFRUHVPDX-UHFFFAOYSA-N 1 2 234.343 2.676 20 0 BFADLO C[NH+]1CC(Oc2ccc(F)c(C(F)(F)F)c2)C1 ZINC001225602691 974585766 /nfs/dbraw/zinc/58/57/66/974585766.db2.gz PGEWXUOCHHUDBF-UHFFFAOYSA-N 1 2 249.207 2.537 20 0 BFADLO C[C@@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C[C@@H]1C ZINC001172364233 974638606 /nfs/dbraw/zinc/63/86/06/974638606.db2.gz AONJTOTZZVVIQR-GRYCIOLGSA-N 1 2 247.329 2.779 20 0 BFADLO C[C@@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C[C@@H]1C ZINC001172364233 974638610 /nfs/dbraw/zinc/63/86/10/974638610.db2.gz AONJTOTZZVVIQR-GRYCIOLGSA-N 1 2 247.329 2.779 20 0 BFADLO CCOCC[C@@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001172423436 974696256 /nfs/dbraw/zinc/69/62/56/974696256.db2.gz MIQRNKDVJVALRO-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCOCC[C@@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001172423436 974696259 /nfs/dbraw/zinc/69/62/59/974696259.db2.gz MIQRNKDVJVALRO-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC(C)COCC[C@H](C)[N@H+](C)CC(F)F ZINC001172481355 974782626 /nfs/dbraw/zinc/78/26/26/974782626.db2.gz QSFLLLUTUDBRTL-JTQLQIEISA-N 1 2 223.307 2.635 20 0 BFADLO CC(C)COCC[C@H](C)[N@@H+](C)CC(F)F ZINC001172481355 974782632 /nfs/dbraw/zinc/78/26/32/974782632.db2.gz QSFLLLUTUDBRTL-JTQLQIEISA-N 1 2 223.307 2.635 20 0 BFADLO FC1C[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172555926 974870978 /nfs/dbraw/zinc/87/09/78/974870978.db2.gz GNCVDUVSOBEROK-TZMCWYRMSA-N 1 2 219.303 2.976 20 0 BFADLO COC(=O)CCCCn1c[nH+]c(C(C)(C)C)c1 ZINC001331955614 974888242 /nfs/dbraw/zinc/88/82/42/974888242.db2.gz ZIQBPGKIVISBMV-UHFFFAOYSA-N 1 2 238.331 2.524 20 0 BFADLO Cc1coc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC001331991077 974911876 /nfs/dbraw/zinc/91/18/76/974911876.db2.gz SPLMPOJHKSUOIH-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO Cc1coc(C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC001331991077 974911880 /nfs/dbraw/zinc/91/18/80/974911880.db2.gz SPLMPOJHKSUOIH-CQSZACIVSA-N 1 2 247.294 2.755 20 0 BFADLO FC1(F)C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172706405 974925819 /nfs/dbraw/zinc/92/58/19/974925819.db2.gz GUIHGYWENNLJAW-GHMZBOCLSA-N 1 2 243.684 2.804 20 0 BFADLO c1cn(Cc2ccc(Nc3ccon3)cc2)c[nH+]1 ZINC001212692460 974962782 /nfs/dbraw/zinc/96/27/82/974962782.db2.gz UTXMEGMEPQUDGW-UHFFFAOYSA-N 1 2 240.266 2.663 20 0 BFADLO COc1cc[nH+]c(Nc2ccccc2O)c1 ZINC001206188426 975020490 /nfs/dbraw/zinc/02/04/90/975020490.db2.gz OTZAGHZBLCTKIW-UHFFFAOYSA-N 1 2 216.240 2.539 20 0 BFADLO Oc1ccccc1Nc1cccn2cc[nH+]c12 ZINC001206193739 975059753 /nfs/dbraw/zinc/05/97/53/975059753.db2.gz RWNAOGJXJCPQJY-UHFFFAOYSA-N 1 2 225.251 2.784 20 0 BFADLO CCc1ccc(C[C@@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001173242731 975170952 /nfs/dbraw/zinc/17/09/52/975170952.db2.gz HZVCWSQWNHACLB-CYBMUJFWSA-N 1 2 245.366 2.845 20 0 BFADLO CCc1ccc(C[C@@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001173242731 975170958 /nfs/dbraw/zinc/17/09/58/975170958.db2.gz HZVCWSQWNHACLB-CYBMUJFWSA-N 1 2 245.366 2.845 20 0 BFADLO Cc1ccc(-c2ccc[nH+]c2N)c(F)c1 ZINC000721196064 975189452 /nfs/dbraw/zinc/18/94/52/975189452.db2.gz FYRDYODOJDNNKU-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO Cc1nocc1Nc1ccccc1-n1cc[nH+]c1 ZINC001212721924 975294828 /nfs/dbraw/zinc/29/48/28/975294828.db2.gz ZAMGVGXXGOBJAT-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO Cc1nn(C)cc1[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227260099 975335116 /nfs/dbraw/zinc/33/51/16/975335116.db2.gz PBNDFOXMLGQDLL-GFCCVEGCSA-N 1 2 245.326 2.880 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H](C)C1CCOCC1 ZINC001227259017 975336700 /nfs/dbraw/zinc/33/67/00/975336700.db2.gz CGQNIXMUCVZSJH-LBPRGKRZSA-N 1 2 235.327 2.892 20 0 BFADLO Cc1cc(CO)cc(Nc2[nH+]cc(O)cc2C)c1 ZINC001212751405 975516850 /nfs/dbraw/zinc/51/68/50/975516850.db2.gz FDTGHUOLJQTUSJ-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC001333285076 975617762 /nfs/dbraw/zinc/61/77/62/975617762.db2.gz NCYFLVADCTWSTN-UFBFGSQYSA-N 1 2 232.327 2.535 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)cc1F ZINC001173861636 975805496 /nfs/dbraw/zinc/80/54/96/975805496.db2.gz OIAUNKOCCUXURC-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nnc[nH]1 ZINC001333581559 975863197 /nfs/dbraw/zinc/86/31/97/975863197.db2.gz GTXJPETWQRBUPG-CQSZACIVSA-N 1 2 244.342 2.634 20 0 BFADLO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1nnc[nH]1 ZINC001333581559 975863203 /nfs/dbraw/zinc/86/32/03/975863203.db2.gz GTXJPETWQRBUPG-CQSZACIVSA-N 1 2 244.342 2.634 20 0 BFADLO COc1cc[nH+]c(Nc2ccccc2OC)c1 ZINC001173839137 975870103 /nfs/dbraw/zinc/87/01/03/975870103.db2.gz MKPHIYZEMSOUHY-UHFFFAOYSA-N 1 2 230.267 2.842 20 0 BFADLO COc1cc2c(cc1O[C@H]1C=CCC1)C=[NH+]CC2 ZINC001228091465 975903785 /nfs/dbraw/zinc/90/37/85/975903785.db2.gz WSYFHGJEQPOKMW-ZDUSSCGKSA-N 1 2 243.306 2.768 20 0 BFADLO CCCOc1ccccc1OC1C[NH+](C(C)C)C1 ZINC001228181923 975975215 /nfs/dbraw/zinc/97/52/15/975975215.db2.gz KIXYGLVCICRADY-UHFFFAOYSA-N 1 2 249.354 2.947 20 0 BFADLO CC(C)(C)c1coc(C[N@H+]2CC=CCC2)n1 ZINC001333705331 976014687 /nfs/dbraw/zinc/01/46/87/976014687.db2.gz GNDHGXXYYQCGSY-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO CC(C)(C)c1coc(C[N@@H+]2CC=CCC2)n1 ZINC001333705331 976014701 /nfs/dbraw/zinc/01/47/01/976014701.db2.gz GNDHGXXYYQCGSY-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO CC(C)c1ccccc1OC1C[NH+](C)C1 ZINC001228276346 976043606 /nfs/dbraw/zinc/04/36/06/976043606.db2.gz MUWCZCRVWSOEGF-UHFFFAOYSA-N 1 2 205.301 2.503 20 0 BFADLO CCOc1cc[nH+]cc1NC1=CCCC1 ZINC001173997518 976137832 /nfs/dbraw/zinc/13/78/32/976137832.db2.gz MNJNVRJSFOCZDE-UHFFFAOYSA-N 1 2 204.273 2.960 20 0 BFADLO Cc1ccc([N@H+]2C(=N)C=CC(Cl)=C2N)c(C)c1 ZINC001174012392 976179088 /nfs/dbraw/zinc/17/90/88/976179088.db2.gz VHVWVNXLKFTBDK-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1ccc([N@@H+]2C(=N)C=CC(Cl)=C2N)c(C)c1 ZINC001174012392 976179093 /nfs/dbraw/zinc/17/90/93/976179093.db2.gz VHVWVNXLKFTBDK-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1cnc(Nc2cc[nH+]c3ccccc23)o1 ZINC001174036721 976240566 /nfs/dbraw/zinc/24/05/66/976240566.db2.gz DRGNCZBNRVUIAQ-UHFFFAOYSA-N 1 2 225.251 2.697 20 0 BFADLO COCc1cccc(Nc2c[nH+]ccc2OC)c1 ZINC001174092745 976280406 /nfs/dbraw/zinc/28/04/06/976280406.db2.gz HYFQZADDSBDWPV-UHFFFAOYSA-N 1 2 244.294 2.980 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1cnccc1C ZINC001174116768 976338579 /nfs/dbraw/zinc/33/85/79/976338579.db2.gz BHJFKHMSOVKWTP-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO CCCn1cc(Nc2cccn3cc[nH+]c23)cn1 ZINC001174218211 976409750 /nfs/dbraw/zinc/40/97/50/976409750.db2.gz MORFRZXBDYFQHF-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO Cc1cn2c(cccc2Nc2cncc(F)c2)[nH+]1 ZINC001174288841 976448742 /nfs/dbraw/zinc/44/87/42/976448742.db2.gz MAFYXOUZURJNBI-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Cc1cn2cccc(Nc3cncc(F)c3)c2[nH+]1 ZINC001174289220 976450569 /nfs/dbraw/zinc/45/05/69/976450569.db2.gz GFZVNKMERWIJSL-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO COc1cc(Nc2[nH+]cc(C)cc2C)ccn1 ZINC001174304326 976514427 /nfs/dbraw/zinc/51/44/27/976514427.db2.gz UMRLAOIGKXKVON-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc[nH+]cc1Nc1ccnc2[nH]ccc21 ZINC001174407746 976689607 /nfs/dbraw/zinc/68/96/07/976689607.db2.gz BKTIGQAVKWDOJA-UHFFFAOYSA-N 1 2 240.266 2.662 20 0 BFADLO Cc1cccc(Nc2ccnc3[nH]ccc32)[nH+]1 ZINC001174409374 976698519 /nfs/dbraw/zinc/69/85/19/976698519.db2.gz MTTRYLZLWIRHRY-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO Cc1c[nH+]c(Nc2ccc3cn[nH]c3c2)c(N)c1 ZINC001174498132 976717533 /nfs/dbraw/zinc/71/75/33/976717533.db2.gz WQPGIRQUGABCJR-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccc(N)cc1F ZINC001174480045 976801410 /nfs/dbraw/zinc/80/14/10/976801410.db2.gz RSENNNULMSZWBB-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)C(C)(C)C ZINC001334994594 976815641 /nfs/dbraw/zinc/81/56/41/976815641.db2.gz IGHRDEBLCSPPRA-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)C(C)(C)C ZINC001334994594 976815645 /nfs/dbraw/zinc/81/56/45/976815645.db2.gz IGHRDEBLCSPPRA-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CCCSC[C@@H](C)[NH2+][C@@H](C)c1noc(C)n1 ZINC001335060507 976838964 /nfs/dbraw/zinc/83/89/64/976838964.db2.gz AOAFZJMRPLSFDS-BDAKNGLRSA-N 1 2 243.376 2.560 20 0 BFADLO C[NH+]1CC(Oc2ncc(Cl)c3ccccc32)C1 ZINC001229485021 976880285 /nfs/dbraw/zinc/88/02/85/976880285.db2.gz HTMKINOWAWCQIP-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO C=CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001174778634 976991078 /nfs/dbraw/zinc/99/10/78/976991078.db2.gz RLQVMSWOIIJFMX-UHFFFAOYSA-N 1 2 235.287 2.984 20 0 BFADLO C=CNc1ccc(N2CCCCC2)[nH+]c1 ZINC001174780691 976994681 /nfs/dbraw/zinc/99/46/81/976994681.db2.gz VVWHTKDMDYNKNL-UHFFFAOYSA-N 1 2 203.289 2.627 20 0 BFADLO CCO[C@@H](C)COc1ccc(-n2cc[nH+]c2)cc1 ZINC001229954097 977041938 /nfs/dbraw/zinc/04/19/38/977041938.db2.gz IQDAKAUBXYAJSY-LBPRGKRZSA-N 1 2 246.310 2.676 20 0 BFADLO Cc1cncc(Nc2cccc3[nH+]ccn32)c1 ZINC001174754878 977053516 /nfs/dbraw/zinc/05/35/16/977053516.db2.gz ATTAJJXLGZGFQQ-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO COc1cc[nH+]c(Nc2cncc(C)c2)c1 ZINC001174755265 977053964 /nfs/dbraw/zinc/05/39/64/977053964.db2.gz JHSYCFMNWAFFCG-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO Cc1cncc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001174756134 977060341 /nfs/dbraw/zinc/06/03/41/977060341.db2.gz DJBSMYYUHQUONX-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cc(C)nn1C ZINC001174822864 977079192 /nfs/dbraw/zinc/07/91/92/977079192.db2.gz AGKIUKJDTLMYLL-UHFFFAOYSA-N 1 2 230.315 2.738 20 0 BFADLO CC(C)(C)c1cn(C[C@H]2CCCOC2)c[nH+]1 ZINC001335493118 977093734 /nfs/dbraw/zinc/09/37/34/977093734.db2.gz XPRYXUVASFLGHC-LLVKDONJSA-N 1 2 222.332 2.607 20 0 BFADLO CN(C)c1ccc(Nc2cccc(O)c2)c[nH+]1 ZINC001174888375 977121615 /nfs/dbraw/zinc/12/16/15/977121615.db2.gz XUCABUPAYUWPNK-UHFFFAOYSA-N 1 2 229.283 2.597 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(O)c1 ZINC001174888429 977122383 /nfs/dbraw/zinc/12/23/83/977122383.db2.gz POUHBXGWOMWJBZ-UHFFFAOYSA-N 1 2 216.240 2.539 20 0 BFADLO CC[NH+]1CC(Oc2ccc(O)cc2CC(C)C)C1 ZINC001230211215 977126979 /nfs/dbraw/zinc/12/69/79/977126979.db2.gz NJGXFRIERSHOTE-UHFFFAOYSA-N 1 2 249.354 2.674 20 0 BFADLO Cc1cc(C(C)C)ccc1OC1C[NH+](C)C1 ZINC001230210230 977127628 /nfs/dbraw/zinc/12/76/28/977127628.db2.gz DSROYNDPHQXFPM-UHFFFAOYSA-N 1 2 219.328 2.811 20 0 BFADLO COc1cc(Nc2ccc(O)cc2)cc(C)[nH+]1 ZINC001175043578 977238418 /nfs/dbraw/zinc/23/84/18/977238418.db2.gz YIAPTPWSHPDOFW-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1ccc(O)cc1 ZINC001175047539 977245591 /nfs/dbraw/zinc/24/55/91/977245591.db2.gz RQAAXAAXEODUKB-UHFFFAOYSA-N 1 2 239.278 2.622 20 0 BFADLO CC(C)n1cc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001175341996 977365343 /nfs/dbraw/zinc/36/53/43/977365343.db2.gz YSGYUEYSJOTNPF-UHFFFAOYSA-N 1 2 245.330 2.669 20 0 BFADLO Cc1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1O ZINC001175341893 977366534 /nfs/dbraw/zinc/36/65/34/977366534.db2.gz NJBIRPKTQWUKCZ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1c(O)cccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175344190 977366887 /nfs/dbraw/zinc/36/68/87/977366887.db2.gz AMDABANGJKKIPK-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Oc1cc2c(cc1O[C@@H]1C=CCCC1)CC[NH+]=C2 ZINC001230918926 977380818 /nfs/dbraw/zinc/38/08/18/977380818.db2.gz BJZRFFVXLQLPAF-CYBMUJFWSA-N 1 2 243.306 2.855 20 0 BFADLO Cc1nc(Nc2ccc(N(C)C)[nH+]c2)sc1C ZINC001175337380 977381890 /nfs/dbraw/zinc/38/18/90/977381890.db2.gz GOHVOUIWACOHFH-UHFFFAOYSA-N 1 2 248.355 2.965 20 0 BFADLO C[C@@H]1CC[C@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920477 977383182 /nfs/dbraw/zinc/38/31/82/977383182.db2.gz NPERJQKKOLVWQC-MFKMUULPSA-N 1 2 245.322 2.935 20 0 BFADLO Cc1ncccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001175337673 977383655 /nfs/dbraw/zinc/38/36/55/977383655.db2.gz HMYLSGKPNNCEHC-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc(N(C)C)nc2)c1 ZINC001175338411 977387380 /nfs/dbraw/zinc/38/73/80/977387380.db2.gz RZJQUFOOHOTLIS-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO Cc1cc(C)c(Nc2cnc3n[nH]cc3c2)c[nH+]1 ZINC001175402262 977415988 /nfs/dbraw/zinc/41/59/88/977415988.db2.gz RSFJMBWYOHHKHN-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO c1c[nH+]c(-c2ccc(O[C@H]3CCCOC3)cc2)[nH]1 ZINC001231080235 977468849 /nfs/dbraw/zinc/46/88/49/977468849.db2.gz ALGHBACOFHYONO-ZDUSSCGKSA-N 1 2 244.294 2.635 20 0 BFADLO c1c[nH+]c(-c2ccc(O[C@@H]3CCCOC3)cc2)[nH]1 ZINC001231080234 977472123 /nfs/dbraw/zinc/47/21/23/977472123.db2.gz ALGHBACOFHYONO-CYBMUJFWSA-N 1 2 244.294 2.635 20 0 BFADLO CCc1cccc(Nc2cccc(CO)c2)[nH+]1 ZINC001175509547 977485761 /nfs/dbraw/zinc/48/57/61/977485761.db2.gz MSBOGKLAGALZBY-UHFFFAOYSA-N 1 2 228.295 2.880 20 0 BFADLO CCc1cccc(Nc2[nH+]cccc2CCO)c1 ZINC001175553840 977535637 /nfs/dbraw/zinc/53/56/37/977535637.db2.gz ATXVUDAPBFUGLX-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO Cc1cc(C)c(Nc2ccc(CO)cc2)c[nH+]1 ZINC001175564056 977548223 /nfs/dbraw/zinc/54/82/23/977548223.db2.gz ZVKBJQSBWJGAAN-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO C[N@@H+]1CCC=C(N=c2[nH]c3ccccc3s2)C1 ZINC001175574345 977569443 /nfs/dbraw/zinc/56/94/43/977569443.db2.gz TXCAKSYLGYYFCC-UHFFFAOYSA-N 1 2 245.351 2.928 20 0 BFADLO C[N@H+]1CCC=C(N=c2[nH]c3ccccc3s2)C1 ZINC001175574345 977569458 /nfs/dbraw/zinc/56/94/58/977569458.db2.gz TXCAKSYLGYYFCC-UHFFFAOYSA-N 1 2 245.351 2.928 20 0 BFADLO C[N@@H+]1CCC=C(Nc2ccc(S)cc2)C1 ZINC001175579914 977598830 /nfs/dbraw/zinc/59/88/30/977598830.db2.gz RWEKGCOSOJXELZ-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO C[N@H+]1CCC=C(Nc2ccc(S)cc2)C1 ZINC001175579914 977598843 /nfs/dbraw/zinc/59/88/43/977598843.db2.gz RWEKGCOSOJXELZ-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO c1cn2cccc(Nc3cccc4c[nH]nc43)c2[nH+]1 ZINC001175637095 977605893 /nfs/dbraw/zinc/60/58/93/977605893.db2.gz OLHPGMVNCDSCBK-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Cc1c[nH+]c(Nc2cccc3c[nH]nc32)c(N)c1 ZINC001175637491 977610002 /nfs/dbraw/zinc/61/00/02/977610002.db2.gz XCVSGCULIWRTGA-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO COc1cc[nH+]c(Nc2ccc(SC)nc2)c1 ZINC001175651502 977619469 /nfs/dbraw/zinc/61/94/69/977619469.db2.gz OTPCDJAVDGNTLT-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001231603052 977645764 /nfs/dbraw/zinc/64/57/64/977645764.db2.gz WHNHHWXUGYKHJL-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1C[C@H](F)C[C@H]1C ZINC001231603052 977645770 /nfs/dbraw/zinc/64/57/70/977645770.db2.gz WHNHHWXUGYKHJL-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO C1=CC[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC001231627737 977655814 /nfs/dbraw/zinc/65/58/14/977655814.db2.gz JJKQWQMYGBQHKJ-UHFFFAOYSA-N 1 2 226.279 2.713 20 0 BFADLO CCc1ccc(N2C[C@H](C)O[C@@H](CC)C2)[nH+]c1 ZINC001336503938 977732459 /nfs/dbraw/zinc/73/24/59/977732459.db2.gz RJHCABBBMSYJBY-AAEUAGOBSA-N 1 2 234.343 2.648 20 0 BFADLO CSc1ccccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001231782082 977735442 /nfs/dbraw/zinc/73/54/42/977735442.db2.gz FKCXDJYOZNNVNK-NSHDSACASA-N 1 2 249.379 2.962 20 0 BFADLO CSc1ccccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001231782082 977735453 /nfs/dbraw/zinc/73/54/53/977735453.db2.gz FKCXDJYOZNNVNK-NSHDSACASA-N 1 2 249.379 2.962 20 0 BFADLO CC(C)Cc1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001231788756 977752257 /nfs/dbraw/zinc/75/22/57/977752257.db2.gz WMTSOHIZOCXIPE-UHFFFAOYSA-N 1 2 245.366 2.860 20 0 BFADLO C[N@H+](Cc1ccc(-c2ccccc2)o1)C1COC1 ZINC001231812815 977756938 /nfs/dbraw/zinc/75/69/38/977756938.db2.gz IRWURVGWCGINIH-UHFFFAOYSA-N 1 2 243.306 2.777 20 0 BFADLO C[N@@H+](Cc1ccc(-c2ccccc2)o1)C1COC1 ZINC001231812815 977756947 /nfs/dbraw/zinc/75/69/47/977756947.db2.gz IRWURVGWCGINIH-UHFFFAOYSA-N 1 2 243.306 2.777 20 0 BFADLO COc1ccnc(Cl)c1C[NH+]1CCCCC1 ZINC001232151735 977898264 /nfs/dbraw/zinc/89/82/64/977898264.db2.gz JINHFWXJZQEFFX-UHFFFAOYSA-N 1 2 240.734 2.730 20 0 BFADLO c1cn(-c2ccccc2NC2=CCOCC2)c[nH+]1 ZINC001176142503 977927657 /nfs/dbraw/zinc/92/76/57/977927657.db2.gz FYZSHGSRGMWJHQ-UHFFFAOYSA-N 1 2 241.294 2.588 20 0 BFADLO COc1cc[nH+]cc1Nc1c(C)ccnc1OC ZINC001176116606 977944645 /nfs/dbraw/zinc/94/46/45/977944645.db2.gz HRGMFXIRNUBQPC-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)cc1O ZINC001176121098 977949108 /nfs/dbraw/zinc/94/91/08/977949108.db2.gz NJAXCHANDYTYIT-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(C)cc1C ZINC001176119366 977949716 /nfs/dbraw/zinc/94/97/16/977949716.db2.gz XSQFOVPIOBZAKE-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)c(C)cc1N ZINC001176121100 977952483 /nfs/dbraw/zinc/95/24/83/977952483.db2.gz NNCXKPYSCQBOJJ-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc2occc2c1 ZINC001176121031 977953474 /nfs/dbraw/zinc/95/34/74/977953474.db2.gz FDCKPABHMROCKL-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1ccc(=O)[nH]c1 ZINC001176123687 977955210 /nfs/dbraw/zinc/95/52/10/977955210.db2.gz DWONMIHWAQCHPI-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(O)c1C ZINC001176123513 977957275 /nfs/dbraw/zinc/95/72/75/977957275.db2.gz AIQHVZVAVJWWBC-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO COc1cc[nH+]cc1N(C)c1cc(C)ccc1N ZINC001176125349 977962548 /nfs/dbraw/zinc/96/25/48/977962548.db2.gz ZVUWGELKEJCENV-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1ccc(=O)[nH]c1 ZINC001176128877 977968141 /nfs/dbraw/zinc/96/81/41/977968141.db2.gz MFSRFONNSOUZKA-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C(=O)OC(C)(C)C ZINC001336826062 977977415 /nfs/dbraw/zinc/97/74/15/977977415.db2.gz OHOGKOBHYJFNJN-HBNTYKKESA-N 1 2 245.338 2.587 20 0 BFADLO Cc1cn2cccc(Nc3c(C)noc3C)c2[nH+]1 ZINC001176176667 977977840 /nfs/dbraw/zinc/97/78/40/977977840.db2.gz OFBSGCZOPNBZMU-UHFFFAOYSA-N 1 2 242.282 2.991 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1cnc(C)nc1 ZINC001176393995 978044443 /nfs/dbraw/zinc/04/44/43/978044443.db2.gz RLEZPGALIZNYMG-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO COc1cc(C[NH+]2CCC2)c(OC)cc1Cl ZINC001232370915 978045812 /nfs/dbraw/zinc/04/58/12/978045812.db2.gz WSUGYUQKAVKHPB-UHFFFAOYSA-N 1 2 241.718 2.563 20 0 BFADLO Cc1cccc(C[N@H+](C)C2COC2)c1OC(C)C ZINC001232391704 978052650 /nfs/dbraw/zinc/05/26/50/978052650.db2.gz PENYOFTYDJNJQE-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1cccc(C[N@@H+](C)C2COC2)c1OC(C)C ZINC001232391704 978052661 /nfs/dbraw/zinc/05/26/61/978052661.db2.gz PENYOFTYDJNJQE-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1c[nH+]c(Nc2ccc(O)cc2F)c(N)c1 ZINC001176411215 978078075 /nfs/dbraw/zinc/07/80/75/978078075.db2.gz VKAQKFANQFUUJV-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO CC1C[NH+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232442563 978079553 /nfs/dbraw/zinc/07/95/53/978079553.db2.gz GWVDUAZPNDXDEQ-UHFFFAOYSA-N 1 2 219.206 2.750 20 0 BFADLO CCc1ccc(N2CC[C@@H](C3CC3)C2)[nH+]c1 ZINC001337092957 978159303 /nfs/dbraw/zinc/15/93/03/978159303.db2.gz VAAWZSBKWSIDGL-CYBMUJFWSA-N 1 2 216.328 2.880 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1nc2ccccc2o1 ZINC001232555328 978181914 /nfs/dbraw/zinc/18/19/14/978181914.db2.gz PYQGVINESJZBRP-ZJUUUORDSA-N 1 2 234.274 2.760 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1nc2ccccc2o1 ZINC001232555328 978181919 /nfs/dbraw/zinc/18/19/19/978181919.db2.gz PYQGVINESJZBRP-ZJUUUORDSA-N 1 2 234.274 2.760 20 0 BFADLO Fc1nccc(Cl)c1C[N@@H+]1CCC2(CC2)C1 ZINC001232614473 978191888 /nfs/dbraw/zinc/19/18/88/978191888.db2.gz FKFVBZJLMGNGTR-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1nccc(Cl)c1C[N@H+]1CCC2(CC2)C1 ZINC001232614473 978191891 /nfs/dbraw/zinc/19/18/91/978191891.db2.gz FKFVBZJLMGNGTR-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Cc1cc(C)c(NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001176832602 978196543 /nfs/dbraw/zinc/19/65/43/978196543.db2.gz WJPFKIJKKGMGGB-UHFFFAOYSA-N 1 2 243.310 2.516 20 0 BFADLO CCc1ccc(N2CC[C@@H](OC)C(C)(C)C2)[nH+]c1 ZINC001337186709 978202176 /nfs/dbraw/zinc/20/21/76/978202176.db2.gz VLBNGMIYDCXXKK-CYBMUJFWSA-N 1 2 248.370 2.895 20 0 BFADLO CCc1ccc(N2CC[C@H]3CSC[C@@H]3C2)[nH+]c1 ZINC001337241161 978242242 /nfs/dbraw/zinc/24/22/42/978242242.db2.gz ZHTQCFWVHSEZLX-STQMWFEESA-N 1 2 248.395 2.833 20 0 BFADLO CC1CC[NH+](Cc2ccc(F)c(O)c2F)CC1 ZINC001232934031 978343566 /nfs/dbraw/zinc/34/35/66/978343566.db2.gz WCANTIDUUFRIRY-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO Oc1cc(C[N@@H+]2CCCC23CC3)cc(F)c1F ZINC001232967986 978366833 /nfs/dbraw/zinc/36/68/33/978366833.db2.gz DDQFMNYEIFKYAI-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1cc(C[N@H+]2CCCC23CC3)cc(F)c1F ZINC001232967986 978366843 /nfs/dbraw/zinc/36/68/43/978366843.db2.gz DDQFMNYEIFKYAI-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1cc(C[NH+]2CC3CC(C3)C2)cc(F)c1F ZINC001232975116 978375029 /nfs/dbraw/zinc/37/50/29/978375029.db2.gz DOLQKLJZFMTKMT-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3occc3C2)cnc1C ZINC001233160690 978481970 /nfs/dbraw/zinc/48/19/70/978481970.db2.gz FKVAYRCEZQAVSY-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C[N@H+]2CCc3occc3C2)cnc1C ZINC001233160690 978481971 /nfs/dbraw/zinc/48/19/71/978481971.db2.gz FKVAYRCEZQAVSY-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCc1ccc(N(C)C[C@H]2CCCCO2)[nH+]c1 ZINC001337803253 978502506 /nfs/dbraw/zinc/50/25/06/978502506.db2.gz MOTVFOANDRHRNM-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO CC(C)c1cc(F)ccc1C[NH+]1CCOCC1 ZINC001249860546 978523088 /nfs/dbraw/zinc/52/30/88/978523088.db2.gz MRLBFLZKKRNWDZ-UHFFFAOYSA-N 1 2 237.318 2.781 20 0 BFADLO Cc1cnsc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC001233321278 978556314 /nfs/dbraw/zinc/55/63/14/978556314.db2.gz HKQRPSKXERYACP-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cnsc1C[N@H+]1CCn2cccc2[C@H]1C ZINC001233321278 978556325 /nfs/dbraw/zinc/55/63/25/978556325.db2.gz HKQRPSKXERYACP-LLVKDONJSA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cnsc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC001233321279 978558604 /nfs/dbraw/zinc/55/86/04/978558604.db2.gz HKQRPSKXERYACP-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cnsc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC001233321279 978558618 /nfs/dbraw/zinc/55/86/18/978558618.db2.gz HKQRPSKXERYACP-NSHDSACASA-N 1 2 247.367 2.830 20 0 BFADLO Cc1cc(F)cc(N2CCC=C(F)C2)[nH+]1 ZINC001337913463 978561777 /nfs/dbraw/zinc/56/17/77/978561777.db2.gz BAOWPWAYZOQHDL-UHFFFAOYSA-N 1 2 210.227 2.593 20 0 BFADLO Cc1cc(F)cc(N2CCSC[C@H](C)C2)[nH+]1 ZINC001337956449 978577737 /nfs/dbraw/zinc/57/77/37/978577737.db2.gz FXEZJGBQEVODRL-SECBINFHSA-N 1 2 240.347 2.718 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccco2)C2CC2)o1 ZINC001233368066 978581334 /nfs/dbraw/zinc/58/13/34/978581334.db2.gz ULYVZIMHMYLLCE-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccco2)C2CC2)o1 ZINC001233368066 978581339 /nfs/dbraw/zinc/58/13/39/978581339.db2.gz ULYVZIMHMYLLCE-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO CCC[C@@]1(CO)CCN(c2ccc(CC)c[nH+]2)C1 ZINC001337992080 978584217 /nfs/dbraw/zinc/58/42/17/978584217.db2.gz KKWDJGZITQEPLP-OAHLLOKOSA-N 1 2 248.370 2.633 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@H]2C)c(Cl)c1O ZINC001233398004 978598187 /nfs/dbraw/zinc/59/81/87/978598187.db2.gz UHZXJJXLEKOYAQ-MRVPVSSYSA-N 1 2 241.718 2.648 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@H]2C)c(Cl)c1O ZINC001233398004 978598191 /nfs/dbraw/zinc/59/81/91/978598191.db2.gz UHZXJJXLEKOYAQ-MRVPVSSYSA-N 1 2 241.718 2.648 20 0 BFADLO C[NH+]1CC(Oc2ccc3ccsc3c2)C1 ZINC001233601244 978644847 /nfs/dbraw/zinc/64/48/47/978644847.db2.gz VPHKQWCIVCKJIM-UHFFFAOYSA-N 1 2 219.309 2.594 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ncccn2)sc1C ZINC001233655933 978661038 /nfs/dbraw/zinc/66/10/38/978661038.db2.gz ORBKTVUJGUZLTH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ncccn2)sc1C ZINC001233655933 978661045 /nfs/dbraw/zinc/66/10/45/978661045.db2.gz ORBKTVUJGUZLTH-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(CNc2[nH]c3cc(C)ccc3[nH+]2)on1 ZINC001179443781 978702910 /nfs/dbraw/zinc/70/29/10/978702910.db2.gz UYFNIIBGOHNLQA-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO C=Cn1cc(CNc2c[nH+]c(C)c(C)c2)cn1 ZINC001179447564 978704326 /nfs/dbraw/zinc/70/43/26/978704326.db2.gz KFCQGDDNXMVOEM-UHFFFAOYSA-N 1 2 228.299 2.608 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CCC[C@H]1C ZINC001338994293 978768700 /nfs/dbraw/zinc/76/87/00/978768700.db2.gz YMBCSWRALMUMKZ-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO CCc1cccc(OC)c1OC1C[NH+](C(C)C)C1 ZINC001234639086 978883269 /nfs/dbraw/zinc/88/32/69/978883269.db2.gz CBOAZDHYFKJMHO-UHFFFAOYSA-N 1 2 249.354 2.729 20 0 BFADLO Cc1cncc(Nc2ccc(C)[nH+]c2C)n1 ZINC001203363594 978913161 /nfs/dbraw/zinc/91/31/61/978913161.db2.gz WBRPWLBQYQSTGK-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Oc1cccc(F)c1Nc1cccn2cc[nH+]c12 ZINC001249989030 978968094 /nfs/dbraw/zinc/96/80/94/978968094.db2.gz RFIYVRPKWIHBAC-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO CCc1cccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC001235264649 979014379 /nfs/dbraw/zinc/01/43/79/979014379.db2.gz PMNRBNNMERPJEM-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1cccc(C[N@H+]2CCO[C@@H](C(C)C)C2)n1 ZINC001235264649 979014386 /nfs/dbraw/zinc/01/43/86/979014386.db2.gz PMNRBNNMERPJEM-OAHLLOKOSA-N 1 2 248.370 2.501 20 0 BFADLO CCc1cccc(C[N@@H+]2CCc3occc3C2)n1 ZINC001235264682 979015643 /nfs/dbraw/zinc/01/56/43/979015643.db2.gz QIQOGNLQPQYNNQ-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1cccc(C[N@H+]2CCc3occc3C2)n1 ZINC001235264682 979015648 /nfs/dbraw/zinc/01/56/48/979015648.db2.gz QIQOGNLQPQYNNQ-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO Cc1cnc(F)c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001235333778 979028240 /nfs/dbraw/zinc/02/82/40/979028240.db2.gz YXRXQNIODWYYCM-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cnc(F)c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001235333778 979028244 /nfs/dbraw/zinc/02/82/44/979028244.db2.gz YXRXQNIODWYYCM-LBPRGKRZSA-N 1 2 240.297 2.853 20 0 BFADLO C[C@H]1C[C@H](C)C[NH+](Cc2ncc(Cl)cn2)C1 ZINC001235415537 979039707 /nfs/dbraw/zinc/03/97/07/979039707.db2.gz WNRZYACZSYSWPH-UWVGGRQHSA-N 1 2 239.750 2.608 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235412534 979039839 /nfs/dbraw/zinc/03/98/39/979039839.db2.gz FZUJLCZOBBCJKY-SNVBAGLBSA-N 1 2 225.723 2.504 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235412534 979039844 /nfs/dbraw/zinc/03/98/44/979039844.db2.gz FZUJLCZOBBCJKY-SNVBAGLBSA-N 1 2 225.723 2.504 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)cn2)C2(CC2)C1 ZINC001235424478 979043818 /nfs/dbraw/zinc/04/38/18/979043818.db2.gz SKKYMKLUBWBLLG-VIFPVBQESA-N 1 2 237.734 2.504 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)cn2)C2(CC2)C1 ZINC001235424478 979043823 /nfs/dbraw/zinc/04/38/23/979043823.db2.gz SKKYMKLUBWBLLG-VIFPVBQESA-N 1 2 237.734 2.504 20 0 BFADLO CC(C)[N@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235682058 979115951 /nfs/dbraw/zinc/11/59/51/979115951.db2.gz UKRLLECPBCPWTQ-UHFFFAOYSA-N 1 2 221.279 2.542 20 0 BFADLO CC(C)[N@@H+](C)Cc1nc2ccc(F)cc2[nH]1 ZINC001235682058 979115957 /nfs/dbraw/zinc/11/59/57/979115957.db2.gz UKRLLECPBCPWTQ-UHFFFAOYSA-N 1 2 221.279 2.542 20 0 BFADLO CC(C)[C@H](C)C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001181509164 979127884 /nfs/dbraw/zinc/12/78/84/979127884.db2.gz IVOYVZGYZLCGGF-NSHDSACASA-N 1 2 249.358 2.516 20 0 BFADLO CCOc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1F ZINC001235796894 979152889 /nfs/dbraw/zinc/15/28/89/979152889.db2.gz WVGCLMDGLNAFEO-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1F ZINC001235796894 979152891 /nfs/dbraw/zinc/15/28/91/979152891.db2.gz WVGCLMDGLNAFEO-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO c1cc(N2CCOCC2)[nH+]cc1C1CCCC1 ZINC001250040135 979481179 /nfs/dbraw/zinc/48/11/79/979481179.db2.gz HDSDHCKOUNCNFR-UHFFFAOYSA-N 1 2 232.327 2.576 20 0 BFADLO COc1cc(F)c(/C(C)=C/C=C/[NH3+])cc1OC ZINC001236306785 979508627 /nfs/dbraw/zinc/50/86/27/979508627.db2.gz LJSGDQOSUNNASV-REZHQCRGSA-N 1 2 237.274 2.719 20 0 BFADLO Nc1ccc(-c2ccc(CF)cc2)c[nH+]1 ZINC001236312733 979516817 /nfs/dbraw/zinc/51/68/17/979516817.db2.gz VOWRNNUOLSMOBY-UHFFFAOYSA-N 1 2 202.232 2.800 20 0 BFADLO Nc1ccc(-c2cccc3c2CCC3)c[nH+]1 ZINC001236312507 979517502 /nfs/dbraw/zinc/51/75/02/979517502.db2.gz QSGFTHAMLMTRKC-UHFFFAOYSA-N 1 2 210.280 2.820 20 0 BFADLO COc1cc(-c2ccc(N)[nH+]c2)cc2[nH]ccc21 ZINC001236313489 979521305 /nfs/dbraw/zinc/52/13/05/979521305.db2.gz QEGXHELAHHZAOF-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1ccc(-c2ccnc(-c3ccccn3)c2)c[nH+]1 ZINC001236316616 979527245 /nfs/dbraw/zinc/52/72/45/979527245.db2.gz ODAIUSQMIXYNMB-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1Cl ZINC001236852582 979761081 /nfs/dbraw/zinc/76/10/81/979761081.db2.gz YPAWQRXEIHLLCM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1Cl ZINC001236852582 979761092 /nfs/dbraw/zinc/76/10/92/979761092.db2.gz YPAWQRXEIHLLCM-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO CCn1cncc1C[N@@H+]1Cc2cccc(C)c2C1 ZINC001237587734 979945088 /nfs/dbraw/zinc/94/50/88/979945088.db2.gz IGSGCYQKCPMQMU-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1cncc1C[N@H+]1Cc2cccc(C)c2C1 ZINC001237587734 979945097 /nfs/dbraw/zinc/94/50/97/979945097.db2.gz IGSGCYQKCPMQMU-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO Cc1coc(C[N@@H+]2CCc3c(C)cccc3C2)n1 ZINC001237634142 979982141 /nfs/dbraw/zinc/98/21/41/979982141.db2.gz CVYBWJZKQWBKKZ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1coc(C[N@H+]2CCc3c(C)cccc3C2)n1 ZINC001237634142 979982147 /nfs/dbraw/zinc/98/21/47/979982147.db2.gz CVYBWJZKQWBKKZ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1coc(C[NH+]2CCC(C(F)(F)F)CC2)n1 ZINC001237636261 979989584 /nfs/dbraw/zinc/98/95/84/979989584.db2.gz WSZBTDVWARLCOI-UHFFFAOYSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1coc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC001237648805 979997451 /nfs/dbraw/zinc/99/74/51/979997451.db2.gz JDWOMRFIQAIFKJ-ZDUSSCGKSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1coc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC001237648805 979997456 /nfs/dbraw/zinc/99/74/56/979997456.db2.gz JDWOMRFIQAIFKJ-ZDUSSCGKSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237738463 980042853 /nfs/dbraw/zinc/04/28/53/980042853.db2.gz PYPNHLUEBUDQNX-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237738463 980042862 /nfs/dbraw/zinc/04/28/62/980042862.db2.gz PYPNHLUEBUDQNX-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO COc1ccoc1C[N@H+](C)Cc1ccc(C)nc1 ZINC001237868604 980104448 /nfs/dbraw/zinc/10/44/48/980104448.db2.gz BQHVYCWXMFPVGC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccoc1C[N@@H+](C)Cc1ccc(C)nc1 ZINC001237868604 980104455 /nfs/dbraw/zinc/10/44/55/980104455.db2.gz BQHVYCWXMFPVGC-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO c1cncc(Cc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001250170674 980145114 /nfs/dbraw/zinc/14/51/14/980145114.db2.gz XNPARLMQUROWID-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO C[N@H+](Cc1ccno1)Cc1cncc(C2CC2)c1 ZINC001238194014 980217546 /nfs/dbraw/zinc/21/75/46/980217546.db2.gz JQQDXARCTRXSRP-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1ccno1)Cc1cncc(C2CC2)c1 ZINC001238194014 980217554 /nfs/dbraw/zinc/21/75/54/980217554.db2.gz JQQDXARCTRXSRP-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cncc(C2CC2)c1 ZINC001238194855 980225781 /nfs/dbraw/zinc/22/57/81/980225781.db2.gz UZTQVZGFLNAERO-OAHLLOKOSA-N 1 2 246.354 2.570 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cncc(C2CC2)c1 ZINC001238194855 980225799 /nfs/dbraw/zinc/22/57/99/980225799.db2.gz UZTQVZGFLNAERO-OAHLLOKOSA-N 1 2 246.354 2.570 20 0 BFADLO Cc1cnc(C[N@@H+]2CCn3cccc3C2)c(C)c1 ZINC001238430208 980254984 /nfs/dbraw/zinc/25/49/84/980254984.db2.gz QZWSYPBKIYYLQT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cnc(C[N@H+]2CCn3cccc3C2)c(C)c1 ZINC001238430208 980254993 /nfs/dbraw/zinc/25/49/93/980254993.db2.gz QZWSYPBKIYYLQT-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cncs2)c(C)c1 ZINC001238434305 980262111 /nfs/dbraw/zinc/26/21/11/980262111.db2.gz BUIBHTXIGHWUMB-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cncs2)c(C)c1 ZINC001238434305 980262121 /nfs/dbraw/zinc/26/21/21/980262121.db2.gz BUIBHTXIGHWUMB-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCc1cc(N2CC[C@@H](C)[C@@H]2C)nc(CC)[nH+]1 ZINC001185659403 980265309 /nfs/dbraw/zinc/26/53/09/980265309.db2.gz WYTZYAAQGUMQKQ-MNOVXSKESA-N 1 2 233.359 2.836 20 0 BFADLO COC1C[NH+](Cc2cc(C)cc(SC)c2)C1 ZINC001238674458 980307654 /nfs/dbraw/zinc/30/76/54/980307654.db2.gz FLMKTNJDZAQROI-UHFFFAOYSA-N 1 2 237.368 2.548 20 0 BFADLO COc1cc(C)c(C)cc1C[N@H+](C)C1(C)COC1 ZINC001238768187 980321723 /nfs/dbraw/zinc/32/17/23/980321723.db2.gz VKZWMTMUBVRVMZ-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO COc1cc(C)c(C)cc1C[N@@H+](C)C1(C)COC1 ZINC001238768187 980321733 /nfs/dbraw/zinc/32/17/33/980321733.db2.gz VKZWMTMUBVRVMZ-UHFFFAOYSA-N 1 2 249.354 2.533 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001344097103 980347211 /nfs/dbraw/zinc/34/72/11/980347211.db2.gz ZYXBWIMKILSQOS-UHFFFAOYSA-N 1 2 225.282 2.573 20 0 BFADLO CCOc1cc(C)c(-c2c[nH+]c(N)c(C)c2)cn1 ZINC001238978393 980402012 /nfs/dbraw/zinc/40/20/12/980402012.db2.gz QVKHLUWZWIMLGH-UHFFFAOYSA-N 1 2 243.310 2.741 20 0 BFADLO CC(C)n1ccc(-c2cc[nH+]c(N)c2)c1 ZINC001239068377 980443427 /nfs/dbraw/zinc/44/34/27/980443427.db2.gz SBIYFVQCNJASAT-UHFFFAOYSA-N 1 2 201.273 2.713 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(/C=C/C(C)(C)O)c1 ZINC001239157946 980472410 /nfs/dbraw/zinc/47/24/10/980472410.db2.gz IOVOOBPSTNYIPZ-BQYQJAHWSA-N 1 2 242.322 2.871 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncc(O)c2)c1 ZINC001203656638 980489562 /nfs/dbraw/zinc/48/95/62/980489562.db2.gz YRFNICTWEQNXBP-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1c[nH+]c(C)c(N2CCc3c2cccc3N)c1 ZINC001203666673 980542272 /nfs/dbraw/zinc/54/22/72/980542272.db2.gz ABMHNCCHNHNOKR-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)c(C)n1 ZINC001239451348 980581329 /nfs/dbraw/zinc/58/13/29/980581329.db2.gz MVLPEYHHSLNEAF-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(C)n1 ZINC001239461030 980586928 /nfs/dbraw/zinc/58/69/28/980586928.db2.gz ZFOWELDGBZIDNU-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1ccc(-c2ccn3cc(N)[nH+]c3c2)cc1 ZINC001239479370 980620937 /nfs/dbraw/zinc/62/09/37/980620937.db2.gz OSGBTLNCLXDRIH-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@]1(C)CC=CCC1 ZINC001345609694 980646763 /nfs/dbraw/zinc/64/67/63/980646763.db2.gz GDRTVLLZYZBYMD-CQSZACIVSA-N 1 2 248.326 2.693 20 0 BFADLO Cc1cc(Cl)cc(CC[NH+]2CCOCC2)c1 ZINC001250277656 980651232 /nfs/dbraw/zinc/65/12/32/980651232.db2.gz KYEVVJDMICQWCO-UHFFFAOYSA-N 1 2 239.746 2.523 20 0 BFADLO CSc1ccc(-c2c[nH+]cn2C)cc1 ZINC001239497251 980656277 /nfs/dbraw/zinc/65/62/77/980656277.db2.gz BRMDQVKOCSOQLX-UHFFFAOYSA-N 1 2 204.298 2.809 20 0 BFADLO COc1ncc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001239507294 980672581 /nfs/dbraw/zinc/67/25/81/980672581.db2.gz NRFHJCBERRDJMN-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CNc1cc(-c2cccc(OC)c2)cc[nH+]1 ZINC001239520723 980691877 /nfs/dbraw/zinc/69/18/77/980691877.db2.gz DWHSCQQECPBLCZ-UHFFFAOYSA-N 1 2 214.268 2.799 20 0 BFADLO COCCCc1ccc(N2CCCCC2)[nH+]c1 ZINC001250299682 980713454 /nfs/dbraw/zinc/71/34/54/980713454.db2.gz BBIQINJFDQVJOV-UHFFFAOYSA-N 1 2 234.343 2.651 20 0 BFADLO Cc1cc[nH+]c(Nc2ccc3c(c2)NC(=O)C3)c1 ZINC001250311681 980741010 /nfs/dbraw/zinc/74/10/10/980741010.db2.gz RGWGSDRSMOCTAL-UHFFFAOYSA-N 1 2 239.278 2.628 20 0 BFADLO Fc1ccc2[nH]ccc2c1CCn1cc[nH+]c1 ZINC001250316642 980755557 /nfs/dbraw/zinc/75/55/57/980755557.db2.gz QMWXFSBFKIUXFF-UHFFFAOYSA-N 1 2 229.258 2.746 20 0 BFADLO FC(F)(F)c1cnccc1CCn1cc[nH+]c1 ZINC001250320505 980763176 /nfs/dbraw/zinc/76/31/76/980763176.db2.gz MZQPNDLULQQDAU-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO Nc1cn2ccc(-c3c(F)cccc3F)cc2[nH+]1 ZINC001239574912 980766495 /nfs/dbraw/zinc/76/64/95/980766495.db2.gz YRCCDXPROHLWJJ-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO Cc1c(-c2ccncc2)ccc2[nH+]ccn21 ZINC001239612392 980810901 /nfs/dbraw/zinc/81/09/01/980810901.db2.gz LHWLBJPTIUPVOR-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])cc(OC)c1OC ZINC001239642127 980826812 /nfs/dbraw/zinc/82/68/12/980826812.db2.gz KMXKLMCNOSYCGA-YLNKAEQOSA-N 1 2 249.310 2.588 20 0 BFADLO COc1ccc2c(c1)nccc2-c1c[nH+]cn1C ZINC001239678558 980838828 /nfs/dbraw/zinc/83/88/28/980838828.db2.gz VASFXOLWOKHZNK-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CCc1cn(C[C@@H]2CCC3(CCCC3)O2)c[nH+]1 ZINC001190095579 980844885 /nfs/dbraw/zinc/84/48/85/980844885.db2.gz CWCWTSVZPRDQCL-ZDUSSCGKSA-N 1 2 234.343 2.937 20 0 BFADLO CCc1cn(CCOc2ccc(OC)cc2)c[nH+]1 ZINC001190104066 980848162 /nfs/dbraw/zinc/84/81/62/980848162.db2.gz PZCOEFMKLFDMGP-UHFFFAOYSA-N 1 2 246.310 2.533 20 0 BFADLO CC(C)(COC(=O)C[C@@H]1C=CCC1)n1cc[nH+]c1 ZINC001346624689 980871382 /nfs/dbraw/zinc/87/13/82/980871382.db2.gz YVXWGQBHHHSYGA-GFCCVEGCSA-N 1 2 248.326 2.518 20 0 BFADLO COc1ccc(F)cc1/C(C)=C/C=C/[NH3+] ZINC001239720805 980874409 /nfs/dbraw/zinc/87/44/09/980874409.db2.gz WQCOVXZMJCRGIE-DDEWIXKASA-N 1 2 207.248 2.710 20 0 BFADLO c1ccc2c(c1)nccc2-c1cc[nH+]c2c1CCN2 ZINC001239854978 980995481 /nfs/dbraw/zinc/99/54/81/980995481.db2.gz HEPPMGBZFXPVCW-UHFFFAOYSA-N 1 2 247.301 2.908 20 0 BFADLO COc1ncccc1-c1cc(C)cn2cc[nH+]c12 ZINC001239858551 981000348 /nfs/dbraw/zinc/00/03/48/981000348.db2.gz RXLDNNDPVGDJOB-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2cncnc2c1 ZINC001239986892 981084171 /nfs/dbraw/zinc/08/41/71/981084171.db2.gz SHRSVHQLKQZCDM-ZRSOPRJESA-N 1 2 211.268 2.506 20 0 BFADLO COc1ccc(-c2cc[nH+]c3c2CCN3)c(F)c1 ZINC001240025004 981106683 /nfs/dbraw/zinc/10/66/83/981106683.db2.gz RZQYOKPMWCADAJ-UHFFFAOYSA-N 1 2 244.269 2.507 20 0 BFADLO CCCn1cc(-c2cccc3[nH+]c(C)cn32)cn1 ZINC001240130803 981131267 /nfs/dbraw/zinc/13/12/67/981131267.db2.gz MRXDKHZLWGCUOZ-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1nc2ccc(-c3ccc4[nH+]ccn4c3)nc2[nH]1 ZINC001240214368 981160865 /nfs/dbraw/zinc/16/08/65/981160865.db2.gz OSZIGRQTYHVRNP-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240215255 981164138 /nfs/dbraw/zinc/16/41/38/981164138.db2.gz WGFVWABSUIFQSI-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1cn2cc(-c3ccc4ccncc4n3)ccc2[nH+]1 ZINC001240215219 981164897 /nfs/dbraw/zinc/16/48/97/981164897.db2.gz VPFKGKJBUKVTJY-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cccc4[nH]cnc43)ccc2[nH+]1 ZINC001240217417 981167680 /nfs/dbraw/zinc/16/76/80/981167680.db2.gz CASQQMXGSDEIFS-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1ncc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240219554 981170581 /nfs/dbraw/zinc/17/05/81/981170581.db2.gz MWXLPHSYTVLSKS-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2c(cccc2-c2ccc3[nH+]ccn3c2)n1 ZINC001240219695 981170982 /nfs/dbraw/zinc/17/09/82/981170982.db2.gz RQXLAAGOUCFOLN-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO c1cn2cc(-c3cccc4[nH+]ccn43)ccc2n1 ZINC001240219695 981170985 /nfs/dbraw/zinc/17/09/85/981170985.db2.gz RQXLAAGOUCFOLN-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO c1cn2cc(-c3ccc4c(c3)NCC4)ccc2[nH+]1 ZINC001240220127 981173705 /nfs/dbraw/zinc/17/37/05/981173705.db2.gz AWZSOIMPYFVTCV-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO CCc1cc(-c2ccc3[nH+]ccn3c2)ccn1 ZINC001240221141 981175273 /nfs/dbraw/zinc/17/52/73/981175273.db2.gz HAARNMYOOBZDQR-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)cc(C)n1 ZINC001240221145 981175453 /nfs/dbraw/zinc/17/54/53/981175453.db2.gz HFVNGUDPMKHXER-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cncc(F)c1 ZINC001240235485 981196541 /nfs/dbraw/zinc/19/65/41/981196541.db2.gz XJRDUXOPGLJKKE-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCO[C@@H]1CCCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001347946615 981225167 /nfs/dbraw/zinc/22/51/67/981225167.db2.gz XUYAHWRURFWKFR-GFCCVEGCSA-N 1 2 238.306 2.534 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C[C@H]1C=CCCC1 ZINC001347973863 981232598 /nfs/dbraw/zinc/23/25/98/981232598.db2.gz XSNPSBSYPKLTRD-LBPRGKRZSA-N 1 2 248.326 2.693 20 0 BFADLO CCc1ccc(N2CCCOC(C)(C)C2)[nH+]c1 ZINC001348000574 981241464 /nfs/dbraw/zinc/24/14/64/981241464.db2.gz NNRCMNHATMRUTH-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO CNc1cc(-c2cccc3n[nH]cc32)cc[nH+]1 ZINC001240315315 981287330 /nfs/dbraw/zinc/28/73/30/981287330.db2.gz LABFAIRVMGDPIR-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO Cc1cc(-c2cccc3n[nH]cc32)c[nH+]c1N ZINC001240314562 981288620 /nfs/dbraw/zinc/28/86/20/981288620.db2.gz OEYRDPKZRDTPRD-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cn1cnc2ccc(-c3cccc4[nH+]ccn43)cc21 ZINC001240321117 981293679 /nfs/dbraw/zinc/29/36/79/981293679.db2.gz HGPLWGFOSFKWBE-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCCCOC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001193672632 981405723 /nfs/dbraw/zinc/40/57/23/981405723.db2.gz GIWJMABEKJQJGM-UHFFFAOYSA-N 1 2 247.298 2.991 20 0 BFADLO Fc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496091 981415436 /nfs/dbraw/zinc/41/54/36/981415436.db2.gz HABCBZHAXAQKJF-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO CCOc1ncccc1-c1ccn2cc[nH+]c2c1 ZINC001240495433 981416139 /nfs/dbraw/zinc/41/61/39/981416139.db2.gz HOYZQRHRMCUWPA-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO CC(C)c1nccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497249 981417847 /nfs/dbraw/zinc/41/78/47/981417847.db2.gz PCTKSENTXJHWTE-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Cc1nc2[nH]ccc2c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497126 981418688 /nfs/dbraw/zinc/41/86/88/981418688.db2.gz YWJGJTCDPJIRKV-UHFFFAOYSA-N 1 2 249.277 2.533 20 0 BFADLO CCCc1nccnc1-c1ccn2cc[nH+]c2c1 ZINC001240503621 981430310 /nfs/dbraw/zinc/43/03/10/981430310.db2.gz PHCIGJLXGMPFJH-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO c1cn2ccc(-c3cnc4ncoc4c3)cc2[nH+]1 ZINC001240508635 981434317 /nfs/dbraw/zinc/43/43/17/981434317.db2.gz GOUOFOIIKYPCMD-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO Cn1ccc2cc(-c3ccn4cc[nH+]c4c3)cnc21 ZINC001240510901 981435855 /nfs/dbraw/zinc/43/58/55/981435855.db2.gz VCZNVZMXJVOTPZ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CCc1cccc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240512152 981438650 /nfs/dbraw/zinc/43/86/50/981438650.db2.gz QDLGUIGMZHIFLC-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO c1cn2cccc(-c3ccc4c[nH]nc4c3)c2[nH+]1 ZINC001240556331 981475587 /nfs/dbraw/zinc/47/55/87/981475587.db2.gz MAMLPEWBJGEXIJ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)sn1 ZINC001193860711 981486982 /nfs/dbraw/zinc/48/69/82/981486982.db2.gz UJDOSAUJDCFKTF-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)sn1 ZINC001193860711 981486986 /nfs/dbraw/zinc/48/69/86/981486986.db2.gz UJDOSAUJDCFKTF-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(N2CCCC2)cc1 ZINC001240587987 981487384 /nfs/dbraw/zinc/48/73/84/981487384.db2.gz IEWMFOWVSTUVQG-UHFFFAOYSA-N 1 2 227.311 2.687 20 0 BFADLO COc1cc(/C(C)=C/C=C/[NH3+])cc(F)c1F ZINC001240661787 981570201 /nfs/dbraw/zinc/57/02/01/981570201.db2.gz PCOOBVJZFFMFHO-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO Oc1ccc(F)cc1-c1ccc2[nH+]ccn2c1 ZINC001240696521 981606691 /nfs/dbraw/zinc/60/66/91/981606691.db2.gz HVYSPMHAQPBNHT-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO c1nsnc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001349761104 981706475 /nfs/dbraw/zinc/70/64/75/981706475.db2.gz UVCCNIZVRFYHEX-GHMZBOCLSA-N 1 2 237.372 2.550 20 0 BFADLO c1nsnc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001349761104 981706531 /nfs/dbraw/zinc/70/65/31/981706531.db2.gz UVCCNIZVRFYHEX-GHMZBOCLSA-N 1 2 237.372 2.550 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001349791678 981747974 /nfs/dbraw/zinc/74/79/74/981747974.db2.gz LPONVUWSZYKANY-CHWSQXEVSA-N 1 2 246.354 2.741 20 0 BFADLO Cc1ccc(N[C@H]2CCCn3ccnc32)c(C)[nH+]1 ZINC001349840153 981789739 /nfs/dbraw/zinc/78/97/39/981789739.db2.gz OJJUVZKLOGBDAT-ZDUSSCGKSA-N 1 2 242.326 2.842 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H](C)C2(C)CC2)c(C)[nH+]1 ZINC001349853406 981792326 /nfs/dbraw/zinc/79/23/26/981792326.db2.gz ZHVAAFDTGGEQBE-GFCCVEGCSA-N 1 2 246.354 2.925 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@H]1CCCC12CC2 ZINC001350343040 981936375 /nfs/dbraw/zinc/93/63/75/981936375.db2.gz CNKHBNNPIJRXMW-GFCCVEGCSA-N 1 2 248.326 2.527 20 0 BFADLO c1cn2ccc(-c3ccc4c(c3)OCO4)cc2[nH+]1 ZINC001240898913 981948535 /nfs/dbraw/zinc/94/85/35/981948535.db2.gz KAYSZIUHKFNVJU-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO CC(C)CCOC(=O)Nc1ccc2[nH+]ccn2c1 ZINC001194845688 981957922 /nfs/dbraw/zinc/95/79/22/981957922.db2.gz VUJOGTBVYNEVAX-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO Cc1ccc(-c2ccc(C)c(N)[nH+]2)cc1N ZINC001240960833 982033432 /nfs/dbraw/zinc/03/34/32/982033432.db2.gz OACDMKWOPAPAFI-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO CC[C@H](C)OC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001195090515 982077396 /nfs/dbraw/zinc/07/73/96/982077396.db2.gz CYTZUSMDPVYXFJ-VIFPVBQESA-N 1 2 233.271 2.681 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(F)c(F)c1F ZINC001240991048 982078673 /nfs/dbraw/zinc/07/86/73/982078673.db2.gz SCBKAXMLMRWLBI-YPCIICBESA-N 1 2 213.202 2.980 20 0 BFADLO Oc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001241013474 982106487 /nfs/dbraw/zinc/10/64/87/982106487.db2.gz DQZLRWFRSFVDMD-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO Cc1ccc(N[C@H](C)c2ncco2)c(C)[nH+]1 ZINC001350956759 982138343 /nfs/dbraw/zinc/13/83/43/982138343.db2.gz ODVFUTYEVXXREM-SNVBAGLBSA-N 1 2 217.272 2.860 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccc(O)cc1 ZINC001241063104 982174476 /nfs/dbraw/zinc/17/44/76/982174476.db2.gz VAGDIPHNAOKWBW-UHFFFAOYSA-N 1 2 240.262 2.944 20 0 BFADLO CCOc1cc(-c2ccc[nH+]c2N)ccc1F ZINC001241069348 982187609 /nfs/dbraw/zinc/18/76/09/982187609.db2.gz MDLHAEKCYDKZEP-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Nc1cc(-c2cc(F)cc3cc[nH]c32)cc[nH+]1 ZINC001241163203 982302615 /nfs/dbraw/zinc/30/26/15/982302615.db2.gz QONLMTONEVAKIN-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO COCOc1ccc(C)cc1-c1cc[nH+]c(N)c1 ZINC001241170137 982317400 /nfs/dbraw/zinc/31/74/00/982317400.db2.gz FBPMIOLDFXMKIJ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO CCOc1cc(OC)cc(-c2cc[nH+]c(N)c2)c1 ZINC001241175523 982324208 /nfs/dbraw/zinc/32/42/08/982324208.db2.gz FJEIHDOVRWTZAN-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO Nc1cc(-c2cnc3sccc3c2)cc[nH+]1 ZINC001241175740 982324997 /nfs/dbraw/zinc/32/49/97/982324997.db2.gz KUIQGCIKKBQNRK-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO c1cc2c[nH+]c(-c3ccc4c(c3)OCC4)nc2[nH]1 ZINC001241199832 982348471 /nfs/dbraw/zinc/34/84/71/982348471.db2.gz BMUIILRSDPMNBJ-UHFFFAOYSA-N 1 2 237.262 2.511 20 0 BFADLO c1cn2c(cccc2-c2ccc3c(c2)OCC3)[nH+]1 ZINC001241220748 982358761 /nfs/dbraw/zinc/35/87/61/982358761.db2.gz ZFQCHWWJMPABGA-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccncc1F ZINC001241227127 982375765 /nfs/dbraw/zinc/37/57/65/982375765.db2.gz WYGSSPOBTDXJKL-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cccnc1-c1c[nH+]c(N(C)C)cc1C ZINC001241227710 982376581 /nfs/dbraw/zinc/37/65/81/982376581.db2.gz AWGWWHGAMVZERB-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO Cc1ccnc(F)c1-c1c[nH+]c(N(C)C)cc1C ZINC001241243740 982387423 /nfs/dbraw/zinc/38/74/23/982387423.db2.gz ZQARSTRHSAJRFX-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO CC(=O)c1ccc(F)c(-c2ccc[nH+]c2N)c1 ZINC001241300482 982444023 /nfs/dbraw/zinc/44/40/23/982444023.db2.gz WJSWZOZIUWZJKQ-UHFFFAOYSA-N 1 2 230.242 2.673 20 0 BFADLO c1cn2ccc(-c3cnc4cccnc4c3)cc2[nH+]1 ZINC001241384990 982544077 /nfs/dbraw/zinc/54/40/77/982544077.db2.gz XQFXXDMURJLTBG-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cc(-c2c[nH+]c(N)c(C)c2)ccc1F ZINC001241419945 982570968 /nfs/dbraw/zinc/57/09/68/982570968.db2.gz WUNHKOVRKQRAJK-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1cc(-c2ccc3c(cnn3C)c2)c[nH+]c1N ZINC001241439041 982592883 /nfs/dbraw/zinc/59/28/83/982592883.db2.gz VTEATLNANOXWMG-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc(-c2cccc3c2cnn3C)c[nH+]c1N ZINC001241451234 982603771 /nfs/dbraw/zinc/60/37/71/982603771.db2.gz JMNHXVHBEWLNIG-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc(-c2ccc(C)c(N)[nH+]2)cc2c[nH]nc21 ZINC001241513286 982673945 /nfs/dbraw/zinc/67/39/45/982673945.db2.gz IMTOWVXETKOOAD-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccc(CO)cc1 ZINC001241557973 982781963 /nfs/dbraw/zinc/78/19/63/982781963.db2.gz DRHRBSXCWZQNND-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)CCC1=O ZINC001203913411 982827279 /nfs/dbraw/zinc/82/72/79/982827279.db2.gz YYSSETFREPLAHQ-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)CCC1=O ZINC001203913411 982827282 /nfs/dbraw/zinc/82/72/82/982827282.db2.gz YYSSETFREPLAHQ-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO Cc1cc(-c2cccc3nn(C)cc32)c[nH+]c1N ZINC001241584233 982832656 /nfs/dbraw/zinc/83/26/56/982832656.db2.gz KCXBBSJKWFMIOA-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cn1cc2cc(-c3ccc4[nH+]ccn4c3)ccc2n1 ZINC001241608997 982846323 /nfs/dbraw/zinc/84/63/23/982846323.db2.gz VQPUSBMRQBPRNZ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1n[nH]c2cc(-c3ccc(C)c(N)[nH+]3)ccc12 ZINC001241639297 982877111 /nfs/dbraw/zinc/87/71/11/982877111.db2.gz XASVFECIWGCENT-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1n[nH]c2ccc(-c3ccc[nH+]c3N)cc12 ZINC001241669053 982910175 /nfs/dbraw/zinc/91/01/75/982910175.db2.gz MVSQQNYZWLCCHJ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO COc1ccc(C)c(-c2ccc[nH+]c2N)c1 ZINC001241674257 982923434 /nfs/dbraw/zinc/92/34/34/982923434.db2.gz XQSWRJUDKRCQCE-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CNc1cc(-c2ccc3[nH]cnc3c2)cc[nH+]1 ZINC001241703366 982963167 /nfs/dbraw/zinc/96/31/67/982963167.db2.gz FZTXGEJMAIRMIC-UHFFFAOYSA-N 1 2 224.267 2.667 20 0 BFADLO c1nc2cc(-c3cc[nH+]c4c3CCN4)ccc2[nH]1 ZINC001241708037 982969909 /nfs/dbraw/zinc/96/99/09/982969909.db2.gz VJWUZOXDHZWULP-UHFFFAOYSA-N 1 2 236.278 2.593 20 0 BFADLO c1nc2ccc(-c3cc[nH+]c4c3CCN4)cc2[nH]1 ZINC001241708037 982969918 /nfs/dbraw/zinc/96/99/18/982969918.db2.gz VJWUZOXDHZWULP-UHFFFAOYSA-N 1 2 236.278 2.593 20 0 BFADLO c1cn2cc(-c3cnn(C4CCC4)c3)ccc2[nH+]1 ZINC001241721855 983003872 /nfs/dbraw/zinc/00/38/72/983003872.db2.gz JOHAZLUULFBRNQ-UHFFFAOYSA-N 1 2 238.294 2.923 20 0 BFADLO OCc1cc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001241788695 983047375 /nfs/dbraw/zinc/04/73/75/983047375.db2.gz OLOCETAWSFVUAK-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cn1ccc2c1cccc2-c1cc[nH+]c(N)c1 ZINC001241821544 983071916 /nfs/dbraw/zinc/07/19/16/983071916.db2.gz HLVOKAGSSHRFEB-UHFFFAOYSA-N 1 2 223.279 2.823 20 0 BFADLO Nc1ccc(Nc2c(O)cccc2Cl)c[nH+]1 ZINC001201285152 983161481 /nfs/dbraw/zinc/16/14/81/983161481.db2.gz BIHGFZSYVGSINE-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO Nc1ccc(Nc2cccc(O)c2Cl)c[nH+]1 ZINC001201286021 983161791 /nfs/dbraw/zinc/16/17/91/983161791.db2.gz UWPOMMMUUWVFRR-UHFFFAOYSA-N 1 2 235.674 2.766 20 0 BFADLO CC(=O)c1ccc(C)cc1Nc1ccc(N)[nH+]c1 ZINC001201292558 983169904 /nfs/dbraw/zinc/16/99/04/983169904.db2.gz ZWWZKRSHOXIOMD-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO Nc1ccc(Nc2ccc3cnoc3c2)c[nH+]1 ZINC001201292638 983171394 /nfs/dbraw/zinc/17/13/94/983171394.db2.gz RAVDYALRKGWHNN-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Nc1ccc(Nc2cccc3c2C(=O)CC3)c[nH+]1 ZINC001201292803 983173718 /nfs/dbraw/zinc/17/37/18/983173718.db2.gz SJHNLPZHKBYNAI-UHFFFAOYSA-N 1 2 239.278 2.536 20 0 BFADLO CC(C)c1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001201275732 983175803 /nfs/dbraw/zinc/17/58/03/983175803.db2.gz KLMVRQLTKZEBMS-UHFFFAOYSA-N 1 2 228.299 2.926 20 0 BFADLO CCc1ccc(OC)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201295924 983181220 /nfs/dbraw/zinc/18/12/20/983181220.db2.gz YCAJWHSXFYNEDI-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO CCOc1c(F)cccc1Nc1ccc(N)[nH+]c1 ZINC001201295788 983181611 /nfs/dbraw/zinc/18/16/11/983181611.db2.gz RIQXFPNVUIYIKG-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2cn[nH]c(=O)c2)cc1 ZINC001201489922 983256949 /nfs/dbraw/zinc/25/69/49/983256949.db2.gz XHOISKFCHXVSQW-UHFFFAOYSA-N 1 2 244.298 2.746 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2cnn(C)c2)cc1 ZINC001201487868 983258326 /nfs/dbraw/zinc/25/83/26/983258326.db2.gz LOVRLUDCKSCYPK-UHFFFAOYSA-N 1 2 230.315 2.984 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cnccc2OC)c1 ZINC001242057931 983266622 /nfs/dbraw/zinc/26/66/22/983266622.db2.gz IWOZAGCUFLENSW-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1cnc2ccccc2n1 ZINC001242070643 983305818 /nfs/dbraw/zinc/30/58/18/983305818.db2.gz HBGFQSDBUAEYDV-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc2nc[nH]c2cc1-c1c[nH+]c(N)cc1C ZINC001242083662 983329556 /nfs/dbraw/zinc/32/95/56/983329556.db2.gz BRNDZYHGKJSXAP-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCOC(=O)C1([N@H+](CC)Cc2ccccc2)CC1 ZINC001201590130 983356489 /nfs/dbraw/zinc/35/64/89/983356489.db2.gz OJGFJTMSXQUABP-UHFFFAOYSA-N 1 2 247.338 2.604 20 0 BFADLO CCOC(=O)C1([N@@H+](CC)Cc2ccccc2)CC1 ZINC001201590130 983356499 /nfs/dbraw/zinc/35/64/99/983356499.db2.gz OJGFJTMSXQUABP-UHFFFAOYSA-N 1 2 247.338 2.604 20 0 BFADLO CC(C)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201630370 983358952 /nfs/dbraw/zinc/35/89/52/983358952.db2.gz QQBVDBXPQQXNRB-UHFFFAOYSA-N 1 2 242.363 2.543 20 0 BFADLO CC(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201630370 983358960 /nfs/dbraw/zinc/35/89/60/983358960.db2.gz QQBVDBXPQQXNRB-UHFFFAOYSA-N 1 2 242.363 2.543 20 0 BFADLO COCOc1ccc(/C(C)=C/C=C/[NH3+])cc1F ZINC001242113916 983360181 /nfs/dbraw/zinc/36/01/81/983360181.db2.gz HHEPHLFKAJJAJC-DROBUMMNSA-N 1 2 237.274 2.684 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cncc(O)c1 ZINC001201635357 983364952 /nfs/dbraw/zinc/36/49/52/983364952.db2.gz ATYBQRYEJUWSER-UHFFFAOYSA-N 1 2 229.283 2.797 20 0 BFADLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1O ZINC001242172742 983389084 /nfs/dbraw/zinc/38/90/84/983389084.db2.gz FGDHZEYQPUPCIU-UHFFFAOYSA-N 1 2 244.294 2.529 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)OCCCO2 ZINC001242207706 983408468 /nfs/dbraw/zinc/40/84/68/983408468.db2.gz YFUMQDHCNASUME-LWUHNEAVSA-N 1 2 231.295 2.724 20 0 BFADLO CCC/C=C/c1nc(N(C)C)cc(C)[nH+]1 ZINC001242253568 983472756 /nfs/dbraw/zinc/47/27/56/983472756.db2.gz WOLAQKAEFCUCON-BQYQJAHWSA-N 1 2 205.305 2.664 20 0 BFADLO COc1ccc(C(C)=O)cc1-c1cc[nH+]c(N)c1 ZINC001242269115 983487528 /nfs/dbraw/zinc/48/75/28/983487528.db2.gz XUJJHZZVBXQAPS-UHFFFAOYSA-N 1 2 242.278 2.542 20 0 BFADLO Cc1cc(-c2cnc(C)c(N)c2)c2[nH+]ccn2c1 ZINC001242410941 983719494 /nfs/dbraw/zinc/71/94/94/983719494.db2.gz QDGOGYDMBBIPKO-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO COc1ncc(Cl)cc1-c1c[nH+]c(N)c(C)c1 ZINC001242507864 983833920 /nfs/dbraw/zinc/83/39/20/983833920.db2.gz QPFRZEBWSAVPKM-UHFFFAOYSA-N 1 2 249.701 2.696 20 0 BFADLO Cc1cc(-c2cccc([C@H](C)O)c2)c[nH+]c1N ZINC001242548306 983869215 /nfs/dbraw/zinc/86/92/15/983869215.db2.gz APJABWBSRHKYRV-JTQLQIEISA-N 1 2 228.295 2.693 20 0 BFADLO Cc1oncc1-c1cc(C)c2[nH+]ccn2c1 ZINC001242603273 983957048 /nfs/dbraw/zinc/95/70/48/983957048.db2.gz XEYCGISFMIOXLH-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CNc1cc(-c2ccnc(OC3CC3)c2)cc[nH+]1 ZINC001242726382 984076712 /nfs/dbraw/zinc/07/67/12/984076712.db2.gz SPCUOHFONPIVKS-UHFFFAOYSA-N 1 2 241.294 2.727 20 0 BFADLO Oc1ccc(F)c(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001242766206 984141252 /nfs/dbraw/zinc/14/12/52/984141252.db2.gz OVKVQEMPJIJTEZ-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO Nc1cc(-c2cccc(O)c2Cl)cc[nH+]1 ZINC001242800439 984170903 /nfs/dbraw/zinc/17/09/03/984170903.db2.gz ORIIMOOUAWLWMJ-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)C(=O)CCC3)c[nH+]1 ZINC001242857992 984198641 /nfs/dbraw/zinc/19/86/41/984198641.db2.gz SXDJUTKGEDALDC-UHFFFAOYSA-N 1 2 238.290 2.850 20 0 BFADLO c1cn2ccc(-c3c[nH]c4ncccc34)cc2[nH+]1 ZINC001242861392 984202775 /nfs/dbraw/zinc/20/27/75/984202775.db2.gz WWKUBHZKGUSMEZ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cnc(-c2cccc(S)c2)c(C[NH3+])c1 ZINC001242866043 984208971 /nfs/dbraw/zinc/20/89/71/984208971.db2.gz JZIMKOZBRZBSDS-UHFFFAOYSA-N 1 2 230.336 2.804 20 0 BFADLO Cc1cc[nH+]c(Nc2cc(F)ncc2C)c1 ZINC001212845579 984280339 /nfs/dbraw/zinc/28/03/39/984280339.db2.gz AFXBIVXQYKOKHY-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-c2ccncn2)c1 ZINC001242917628 984290610 /nfs/dbraw/zinc/29/06/10/984290610.db2.gz FQRAJEUZBWIJPX-UHFFFAOYSA-N 1 2 236.278 2.544 20 0 BFADLO Cc1cnccc1-c1ccn2cc[nH+]c2c1 ZINC001240607733 984321699 /nfs/dbraw/zinc/32/16/99/984321699.db2.gz AEUKDIPSLVVIDK-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO c1cn2c(cccc2-c2cnn3ccccc23)[nH+]1 ZINC001242962067 984324576 /nfs/dbraw/zinc/32/45/76/984324576.db2.gz PZNJFLDJTQQSBP-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO CNc1cc(-c2cccc(CO)c2C)cc[nH+]1 ZINC001243015892 984374594 /nfs/dbraw/zinc/37/45/94/984374594.db2.gz TVHQLQWSEYMYGQ-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO CSc1ncc(-c2c[nH+]cn2C)cc1C ZINC001243066607 984479949 /nfs/dbraw/zinc/47/99/49/984479949.db2.gz KXCRQOYOEAIITB-UHFFFAOYSA-N 1 2 219.313 2.512 20 0 BFADLO Cc1ccnc2cc(-c3c[nH+]cn3C)ccc12 ZINC001243066853 984479974 /nfs/dbraw/zinc/47/99/74/984479974.db2.gz BWCZOVUWTAWHOO-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO COc1cccc2nccc(-c3c[nH+]cn3C)c21 ZINC001243067781 984481970 /nfs/dbraw/zinc/48/19/70/984481970.db2.gz QFLQGIDFLQFZRJ-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CC(C)[S@](=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243067727 984482740 /nfs/dbraw/zinc/48/27/40/984482740.db2.gz OECPGYXANQQGGZ-KRWDZBQOSA-N 1 2 248.351 2.603 20 0 BFADLO Cn1c[nH+]cc1-c1ccc([Si](C)(C)C)cc1 ZINC001243068035 984484480 /nfs/dbraw/zinc/48/44/80/984484480.db2.gz SVYPQBQDGSCXTA-UHFFFAOYSA-N 1 2 230.387 2.632 20 0 BFADLO Cc1ccnc2ccc(-c3c[nH+]cn3C)cc12 ZINC001243068470 984489307 /nfs/dbraw/zinc/48/93/07/984489307.db2.gz ZBYGUJYRLNKPHQ-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1cncc2c(-c3c[nH+]cn3C)cccc12 ZINC001243070404 984494702 /nfs/dbraw/zinc/49/47/02/984494702.db2.gz VEIFSMQMUDSLJQ-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1nc(OCC(C)C)ccc1-c1c[nH+]cn1C ZINC001243071758 984500060 /nfs/dbraw/zinc/50/00/60/984500060.db2.gz FMIMKKARPFJESL-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO Cc1cn(C)c2ccc(-c3c[nH+]cn3C)cc12 ZINC001243072271 984502511 /nfs/dbraw/zinc/50/25/11/984502511.db2.gz NVMGQRDGDBODSO-UHFFFAOYSA-N 1 2 225.295 2.887 20 0 BFADLO COCc1ccc(-c2c[nH+]cn2C)c(C)c1 ZINC001243072995 984510317 /nfs/dbraw/zinc/51/03/17/984510317.db2.gz VYSFHBPEFZSPJB-UHFFFAOYSA-N 1 2 216.284 2.542 20 0 BFADLO COc1cc(C)cc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001243240017 984779054 /nfs/dbraw/zinc/77/90/54/984779054.db2.gz TXHSOIMNZSUIAU-UHFFFAOYSA-N 1 2 239.278 2.894 20 0 BFADLO CN(C)c1cc(-c2ccc(F)c(N)c2)cc[nH+]1 ZINC001243455065 984960562 /nfs/dbraw/zinc/96/05/62/984960562.db2.gz JMKLTYIBHKJLMA-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(-c2cnco2)c1 ZINC001243474460 985020642 /nfs/dbraw/zinc/02/06/42/985020642.db2.gz MNULWSHUDVGFQD-UHFFFAOYSA-N 1 2 237.262 2.986 20 0 BFADLO Cc1noc2ccc(-c3ccc[nH+]c3N)cc12 ZINC001243473259 985022694 /nfs/dbraw/zinc/02/26/94/985022694.db2.gz JLHHTIWOFPMNEC-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CC(=O)Nc1cc(-c2ccc[nH+]c2N)ccc1C ZINC001243473307 985024405 /nfs/dbraw/zinc/02/44/05/985024405.db2.gz KIFRKALWGYUNHO-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO CCc1cc(-c2ccc[nH+]c2N)ccc1OC ZINC001243477115 985035094 /nfs/dbraw/zinc/03/50/94/985035094.db2.gz IXJYVBZQPIUOAA-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Cc1nc2ccc(-c3ccc[nH+]c3N)cc2o1 ZINC001243476790 985036567 /nfs/dbraw/zinc/03/65/67/985036567.db2.gz URNGAFJGPQBRPK-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO CSc1ncc(C)cc1-c1ccc[nH+]c1N ZINC001243478438 985043299 /nfs/dbraw/zinc/04/32/99/985043299.db2.gz XNFYSUXRPNVDCW-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Nc1ccc(Cl)cc1-c1ccc[nH+]c1N ZINC001243483137 985045867 /nfs/dbraw/zinc/04/58/67/985045867.db2.gz MMNDNLCRYNLHGG-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO CC[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001257449005 985047099 /nfs/dbraw/zinc/04/70/99/985047099.db2.gz YVEQOSVALZSMAR-NEPJUHHUSA-N 1 2 246.345 2.590 20 0 BFADLO Cc1ccnc(F)c1-c1cc(N(C)C)cc[nH+]1 ZINC001243554801 985117224 /nfs/dbraw/zinc/11/72/24/985117224.db2.gz QBWIGJASRHOAEB-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO CCc1cc(NCC[C@@H](C)F)nc(CC)[nH+]1 ZINC001458406226 985305953 /nfs/dbraw/zinc/30/59/53/985305953.db2.gz JALWOENSGBREHA-SECBINFHSA-N 1 2 225.311 2.761 20 0 BFADLO CCc1cn(C[C@@H](Cc2ccccc2)OC)c[nH+]1 ZINC001459257895 985415700 /nfs/dbraw/zinc/41/57/00/985415700.db2.gz DETDJOBZWUGSTF-OAHLLOKOSA-N 1 2 244.338 2.703 20 0 BFADLO Fc1ccccc1-c1nc(Cn2cc[nH+]c2)co1 ZINC001459684365 985587084 /nfs/dbraw/zinc/58/70/84/985587084.db2.gz LXMFDVHDVTVSNS-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1cccc2nc[nH]c21 ZINC001243936535 985613876 /nfs/dbraw/zinc/61/38/76/985613876.db2.gz YZOHGOXRODNQIK-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO c1ccc(-c2cncc(C3=C[NH2+]CCC3)n2)cc1 ZINC001243947638 985620278 /nfs/dbraw/zinc/62/02/78/985620278.db2.gz NNLDWRCGZWIDAQ-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO CCc1cc2c(ncnc2C2=C[NH2+]CCC2)s1 ZINC001243947615 985622963 /nfs/dbraw/zinc/62/29/63/985622963.db2.gz MQHTVZWCBOUINH-UHFFFAOYSA-N 1 2 245.351 2.978 20 0 BFADLO Cc1cc(C2=C[NH2+]CCC2)nc(C(F)(F)F)n1 ZINC001243948163 985631110 /nfs/dbraw/zinc/63/11/10/985631110.db2.gz WCKSGYGTHCJESH-UHFFFAOYSA-N 1 2 243.232 2.528 20 0 BFADLO CCOC(=O)c1cccc(F)c1C1=C[NH2+]CCC1 ZINC001243951612 985657629 /nfs/dbraw/zinc/65/76/29/985657629.db2.gz JIRGXIKXNPXDES-UHFFFAOYSA-N 1 2 249.285 2.727 20 0 BFADLO COc1cc(O)ccc1-c1ccn2cc[nH+]c2c1 ZINC001243980778 985708536 /nfs/dbraw/zinc/70/85/36/985708536.db2.gz BMKLLGQPHIGKPK-UHFFFAOYSA-N 1 2 240.262 2.716 20 0 BFADLO Cn1c[nH+]cc1-c1ccc2c(c1)CCCC2=O ZINC001243996649 985732764 /nfs/dbraw/zinc/73/27/64/985732764.db2.gz YJMGXSQXZWRUDY-UHFFFAOYSA-N 1 2 226.279 2.606 20 0 BFADLO CCOc1ccc(-c2ccc[nH+]c2N)c(OC)c1 ZINC001243999086 985733991 /nfs/dbraw/zinc/73/39/91/985733991.db2.gz GPNPUVQMSASBOV-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO CN(C)c1cc(-c2ccc3c(c2)NCC3)cc[nH+]1 ZINC001244017037 985744380 /nfs/dbraw/zinc/74/43/80/985744380.db2.gz QTRFXZDQYXBOBE-UHFFFAOYSA-N 1 2 239.322 2.783 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2c(c1)NCC2 ZINC001244016844 985744698 /nfs/dbraw/zinc/74/46/98/985744698.db2.gz OKOHUVHXMFGUTI-GBWIQOKOSA-N 1 2 200.285 2.530 20 0 BFADLO CCOC(=O)c1ccccc1/C(C)=C/C=C/[NH3+] ZINC001244028046 985764040 /nfs/dbraw/zinc/76/40/40/985764040.db2.gz SKGOCZJZNWRWNQ-JMQWPVDRSA-N 1 2 231.295 2.739 20 0 BFADLO CO[C@@H]1CC=C(Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC001212871891 985815129 /nfs/dbraw/zinc/81/51/29/985815129.db2.gz FYEZVASCJNPHNL-CYBMUJFWSA-N 1 2 247.342 2.642 20 0 BFADLO CCOc1cc[nH+]cc1NC1=CC[C@H](OC)CC1 ZINC001212873082 985823232 /nfs/dbraw/zinc/82/32/32/985823232.db2.gz CAMHPOJRQGRZNM-LBPRGKRZSA-N 1 2 248.326 2.975 20 0 BFADLO CO[C@H]1CC=C(Nc2cccn3cc[nH+]c23)CC1 ZINC001212873336 985824073 /nfs/dbraw/zinc/82/40/73/985824073.db2.gz IKFMVIRABWOKGV-LBPRGKRZSA-N 1 2 243.310 2.829 20 0 BFADLO COc1cc(NC2=CC[C@@H](OC)CC2)c(C)c[nH+]1 ZINC001212878346 985854532 /nfs/dbraw/zinc/85/45/32/985854532.db2.gz LBPQFQDAQQZTBZ-GFCCVEGCSA-N 1 2 248.326 2.893 20 0 BFADLO Cc1cc(C)c(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001244150928 985860690 /nfs/dbraw/zinc/86/06/90/985860690.db2.gz QQMHAODGFFQEIE-UHFFFAOYSA-N 1 2 239.322 2.761 20 0 BFADLO Cc1cncc(-c2c[nH+]c(N)c(C)c2)c1C ZINC001244154166 985869147 /nfs/dbraw/zinc/86/91/47/985869147.db2.gz LRYRIDUHICIFJO-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(C)c(Nc2ccc(CCO)cc2)c[nH+]1 ZINC001212926839 985928304 /nfs/dbraw/zinc/92/83/04/985928304.db2.gz ZGRBXSYTJXOKSL-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2[nH]c(=O)ccc21 ZINC001244316319 985949790 /nfs/dbraw/zinc/94/97/90/985949790.db2.gz MOJDEZSIVCJRIT-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO Cc1cc(CNc2cncc(F)c2)cc(C)[nH+]1 ZINC001461464096 986060545 /nfs/dbraw/zinc/06/05/45/986060545.db2.gz OACZWHVEVDNKAR-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ncccc2F)c(F)c1 ZINC001461484545 986069556 /nfs/dbraw/zinc/06/95/56/986069556.db2.gz PTEBICWQBBPKEF-UHFFFAOYSA-N 1 2 248.276 2.958 20 0 BFADLO Cc1c[nH+]c(-c2ccc(Cl)cc2O)cc1N ZINC001244466298 986134588 /nfs/dbraw/zinc/13/45/88/986134588.db2.gz HUKBHLVRVWQWHK-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Cc1cc(C)c(/C=C\C[NH+]2CCOCC2)c(C)c1 ZINC001461847467 986200564 /nfs/dbraw/zinc/20/05/64/986200564.db2.gz XGAADNUXSORGJR-PLNGDYQASA-N 1 2 245.366 2.957 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)c(F)c(O)c1 ZINC001244516692 986218141 /nfs/dbraw/zinc/21/81/41/986218141.db2.gz ZVYOJLRSTFXRMS-MSLMYCKWSA-N 1 2 207.248 2.715 20 0 BFADLO C[C@H]1CCC[C@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258819118 986284952 /nfs/dbraw/zinc/28/49/52/986284952.db2.gz OKROVKFTKAOWTG-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CCC[C@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258819118 986284963 /nfs/dbraw/zinc/28/49/63/986284963.db2.gz OKROVKFTKAOWTG-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO CCc1cc(-c2c[nH+]c(N)c(C)c2)ccc1CO ZINC001244640479 986297471 /nfs/dbraw/zinc/29/74/71/986297471.db2.gz UQZPGTQTXWDINH-UHFFFAOYSA-N 1 2 242.322 2.694 20 0 BFADLO CCCOC(=O)C[NH2+][C@@H](CC)Cc1ccccc1 ZINC001258843859 986301522 /nfs/dbraw/zinc/30/15/22/986301522.db2.gz KERBIBGRRAOZJW-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(C)cc(CO)cc1C ZINC001244692830 986309454 /nfs/dbraw/zinc/30/94/54/986309454.db2.gz HFSKTSPHDDOYDC-GQYICFGZSA-N 1 2 217.312 2.671 20 0 BFADLO Cc1ccc(-c2cc(F)cc(N(C)C)c2)[nH+]c1N ZINC001244799582 986343469 /nfs/dbraw/zinc/34/34/69/986343469.db2.gz WGBYEQYMFYVAQD-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO COC1C[NH+](C/C=C/c2c(C)cc(C)cc2C)C1 ZINC001462315646 986351640 /nfs/dbraw/zinc/35/16/40/986351640.db2.gz LZUONEQXZFPFGU-AATRIKPKSA-N 1 2 245.366 2.956 20 0 BFADLO FC[C@@H]1CC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001462539318 986419626 /nfs/dbraw/zinc/41/96/26/986419626.db2.gz GMOLENDEDRKJQG-QMMMGPOBSA-N 1 2 246.688 2.666 20 0 BFADLO FC[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001462539318 986419640 /nfs/dbraw/zinc/41/96/40/986419640.db2.gz GMOLENDEDRKJQG-QMMMGPOBSA-N 1 2 246.688 2.666 20 0 BFADLO CO[C@H]1CCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000383742890 986428755 /nfs/dbraw/zinc/42/87/55/986428755.db2.gz IOIMQIXWZAFJHC-KGLIPLIRSA-N 1 2 234.343 2.732 20 0 BFADLO Cc1ccsc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001462729336 986511023 /nfs/dbraw/zinc/51/10/23/986511023.db2.gz DVDIMCYLQWFASH-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO CNc1cc(-c2ccnc(C)c2C)cc[nH+]1 ZINC001244972902 986550316 /nfs/dbraw/zinc/55/03/16/986550316.db2.gz OWCBJMFCFDIQSQ-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO CNc1cc(-c2ccc3c(c2)ncn3C)cc[nH+]1 ZINC001244973908 986554939 /nfs/dbraw/zinc/55/49/39/986554939.db2.gz SGYXKUGVYTYBIY-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Oc1ccc(-c2cc[nH+]c3c2CCN3)c(Cl)c1 ZINC001245083630 986650246 /nfs/dbraw/zinc/65/02/46/986650246.db2.gz OMFCZUSFFVCRLJ-UHFFFAOYSA-N 1 2 246.697 2.718 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(Cl)c1N ZINC001245180820 986721922 /nfs/dbraw/zinc/72/19/22/986721922.db2.gz ZIHOQMHSTYEFAJ-FCXRPNKRSA-N 1 2 208.692 2.798 20 0 BFADLO C[C@@H](CC(F)(F)F)[NH2+]CC(C)(F)F ZINC000382191051 986741800 /nfs/dbraw/zinc/74/18/00/986741800.db2.gz BSXOFGPERICDSS-YFKPBYRVSA-N 1 2 205.170 2.572 20 0 BFADLO COc1c(C)cccc1-c1c[nH+]c(N)c(C)c1 ZINC001245363638 986824606 /nfs/dbraw/zinc/82/46/06/986824606.db2.gz LGBUXERHJQYOQT-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO c1cn2c(cccc2-c2cc3cccnc3[nH]2)[nH+]1 ZINC001245403807 986844679 /nfs/dbraw/zinc/84/46/79/986844679.db2.gz HVXSLOWQVQGKNZ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CNc1cc(-c2ccc(F)c(N)c2C)cc[nH+]1 ZINC001245464126 986850897 /nfs/dbraw/zinc/85/08/97/986850897.db2.gz XLUSOSRZGCRYOH-UHFFFAOYSA-N 1 2 231.274 2.820 20 0 BFADLO Cc1c(N)c(F)ccc1-c1cc[nH+]c(N(C)C)c1 ZINC001245460956 986858494 /nfs/dbraw/zinc/85/84/94/986858494.db2.gz KTGUFKMPVMFUQD-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO Cc1cc(C)nc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245536599 986912423 /nfs/dbraw/zinc/91/24/23/986912423.db2.gz USTKBBLCCUTNJO-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO Cc1cc(-c2ccc3c(c2)ncn3C)c[nH+]c1N ZINC001245536924 986913553 /nfs/dbraw/zinc/91/35/53/986913553.db2.gz OMPWFNKNNOOTKP-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CCCCc1cc(-c2c[nH+]c(N)c(C)c2)ncn1 ZINC001245536807 986914620 /nfs/dbraw/zinc/91/46/20/986914620.db2.gz CKTDYZVCISDLJL-UHFFFAOYSA-N 1 2 242.326 2.772 20 0 BFADLO Cc1cc(-c2cccnc2C(F)F)c[nH+]c1N ZINC001245535893 986914951 /nfs/dbraw/zinc/91/49/51/986914951.db2.gz DEEVMPPUBQJOFG-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO Cc1cc(-c2cccc3ncncc32)c[nH+]c1N ZINC001245537713 986919713 /nfs/dbraw/zinc/91/97/13/986919713.db2.gz UXYAATZVDDDWHO-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2ccc3c(c2)OCCC3)c[nH+]c1N ZINC001245539679 986924834 /nfs/dbraw/zinc/92/48/34/986924834.db2.gz IOUGLXXMTCYLTB-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO Cc1cc(-c2cccc3ocnc32)c[nH+]c1N ZINC001245539652 986925338 /nfs/dbraw/zinc/92/53/38/986925338.db2.gz WZOAVRZRIARPJS-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Nc1ncc(-c2ccn3cc[nH+]c3c2)cc1Cl ZINC001245563942 986960271 /nfs/dbraw/zinc/96/02/71/986960271.db2.gz OHEQHTDPFOCVOC-UHFFFAOYSA-N 1 2 244.685 2.632 20 0 BFADLO CNc1cc(-c2cc(C)c(CO)cc2C)cc[nH+]1 ZINC001245702130 987068665 /nfs/dbraw/zinc/06/86/65/987068665.db2.gz OPHSUOHDKPFVGM-UHFFFAOYSA-N 1 2 242.322 2.899 20 0 BFADLO Cc1nc(Cl)ccc1-c1cc[nH+]c(N)c1 ZINC001245773684 987082605 /nfs/dbraw/zinc/08/26/05/987082605.db2.gz KEOMXAHHPUXYRT-UHFFFAOYSA-N 1 2 219.675 2.688 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(Cl)nc1C ZINC001245774305 987085205 /nfs/dbraw/zinc/08/52/05/987085205.db2.gz UUSIGIFZAFFBTH-FCXRPNKRSA-N 1 2 208.692 2.919 20 0 BFADLO Cc1cccc(Cl)c1Cn1cc[nH+]c1 ZINC001473232709 987380268 /nfs/dbraw/zinc/38/02/68/987380268.db2.gz PORVICNDTMZPMT-UHFFFAOYSA-N 1 2 206.676 2.893 20 0 BFADLO CCC(CC)(CC)NC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116122040 987452663 /nfs/dbraw/zinc/45/26/63/987452663.db2.gz VWSYMGJVNQWXSB-NSHDSACASA-N 1 2 237.347 2.529 20 0 BFADLO CCCCC[C@@H](C)[NH2+][C@H]1CNCC(F)(F)C1 ZINC001246220355 987617146 /nfs/dbraw/zinc/61/71/46/987617146.db2.gz CRCSJSAGRLSJNJ-GHMZBOCLSA-N 1 2 234.334 2.542 20 0 BFADLO CCCCCC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246219639 987617601 /nfs/dbraw/zinc/61/76/01/987617601.db2.gz ZGCJDLKHYXTGMS-XQQFMLRXSA-N 1 2 230.371 2.635 20 0 BFADLO CCCCCC[C@H](C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246219639 987617610 /nfs/dbraw/zinc/61/76/10/987617610.db2.gz ZGCJDLKHYXTGMS-XQQFMLRXSA-N 1 2 230.371 2.635 20 0 BFADLO Cc1cccnc1[C@@H](C)[NH2+]Cc1ncccc1F ZINC001474749080 987815637 /nfs/dbraw/zinc/81/56/37/987815637.db2.gz XRXSOLAHFXTJDV-LLVKDONJSA-N 1 2 245.301 2.775 20 0 BFADLO Fc1c(C[N@@H+]2CCC3(CC3)C2)ccnc1Cl ZINC001139661722 987911699 /nfs/dbraw/zinc/91/16/99/987911699.db2.gz WBSDGXCFBIUQRT-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1c(C[N@H+]2CCC3(CC3)C2)ccnc1Cl ZINC001139661722 987911711 /nfs/dbraw/zinc/91/17/11/987911711.db2.gz WBSDGXCFBIUQRT-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2ccccc2C)n[nH]1 ZINC001117790304 987916238 /nfs/dbraw/zinc/91/62/38/987916238.db2.gz WWCUFNFKHBDAJO-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2ccccc2C)n[nH]1 ZINC001117790304 987916285 /nfs/dbraw/zinc/91/62/85/987916285.db2.gz WWCUFNFKHBDAJO-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1ccc(N[C@H](C)c2ccn(C)n2)c(C)[nH+]1 ZINC001118006886 987981050 /nfs/dbraw/zinc/98/10/50/987981050.db2.gz PJPGMDFRNIUMRE-LLVKDONJSA-N 1 2 230.315 2.605 20 0 BFADLO CC(C)N(C(=O)[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001322756160 988377499 /nfs/dbraw/zinc/37/74/99/988377499.db2.gz FTMHMNNNTUTRNI-LBPRGKRZSA-N 1 2 249.358 2.624 20 0 BFADLO CCCCC[C@@H]([NH2+]Cc1ncn[nH]1)C(C)(C)C ZINC001118556916 988431974 /nfs/dbraw/zinc/43/19/74/988431974.db2.gz CFAVUFWCJHPAQP-LLVKDONJSA-N 1 2 238.379 2.889 20 0 BFADLO CCCC(CCC)[N@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246839686 988543180 /nfs/dbraw/zinc/54/31/80/988543180.db2.gz ZCARGFFECBVHTF-NSHDSACASA-N 1 2 234.334 2.624 20 0 BFADLO CCCC(CCC)[N@@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246839686 988543172 /nfs/dbraw/zinc/54/31/72/988543172.db2.gz ZCARGFFECBVHTF-NSHDSACASA-N 1 2 234.334 2.624 20 0 BFADLO Cc1cccc([C@H](C)c2nnc(C[NH+](C)C)o2)c1 ZINC001324177712 988742452 /nfs/dbraw/zinc/74/24/52/988742452.db2.gz GNXDNZQJEIRSNZ-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO C[C@@H](C(=O)NCC1(C)CCCCC1)n1cc[nH+]c1 ZINC001324342527 988807480 /nfs/dbraw/zinc/80/74/80/988807480.db2.gz AZQQGVMNILYKGL-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO C=Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247511118 988906631 /nfs/dbraw/zinc/90/66/31/988906631.db2.gz DSSYNOBTZMEOPE-UHFFFAOYSA-N 1 2 238.250 2.565 20 0 BFADLO CCOC[C@@H]1CCCN(c2ccc(CC)c[nH+]2)C1 ZINC001515459903 989050493 /nfs/dbraw/zinc/05/04/93/989050493.db2.gz RPYTVFJGSGWTTG-CQSZACIVSA-N 1 2 248.370 2.897 20 0 BFADLO COc1ccc(C[NH+]2CCC2)c(OC)c1Cl ZINC001248796561 989144159 /nfs/dbraw/zinc/14/41/59/989144159.db2.gz ZSDUZNCVWVULQU-UHFFFAOYSA-N 1 2 241.718 2.563 20 0 BFADLO OCc1cc[nH+]c(NC[C@@H]2C[C@H]2C2CCCC2)c1 ZINC001516395671 989149313 /nfs/dbraw/zinc/14/93/13/989149313.db2.gz PMDTXKLLLRYNHT-KBPBESRZSA-N 1 2 246.354 2.812 20 0 BFADLO Fc1ccc(-c2nc(C[NH+]3CCC3)co2)cc1 ZINC001248852821 989198542 /nfs/dbraw/zinc/19/85/42/989198542.db2.gz UZRCGHPWIKCXGN-UHFFFAOYSA-N 1 2 232.258 2.686 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CCCC(=O)CC2)c1 ZINC001249477291 989289618 /nfs/dbraw/zinc/28/96/18/989289618.db2.gz YGIRBNOYIYKKFA-UHFFFAOYSA-N 1 2 248.370 2.867 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2CCCC(=O)CC2)c1 ZINC001249477291 989289628 /nfs/dbraw/zinc/28/96/28/989289628.db2.gz YGIRBNOYIYKKFA-UHFFFAOYSA-N 1 2 248.370 2.867 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=CC1CCCC1 ZINC001518366060 989297329 /nfs/dbraw/zinc/29/73/29/989297329.db2.gz PHYRWWYAXQQUAN-FPLPWBNLSA-N 1 2 244.338 2.805 20 0 BFADLO Cc1cc(C[NH+]2CCC(C)(F)CC2)ns1 ZINC001249571521 989313779 /nfs/dbraw/zinc/31/37/79/989313779.db2.gz QIKHVUVVKUCMBD-UHFFFAOYSA-N 1 2 228.336 2.776 20 0 BFADLO C/C(=C\c1nnc(C[NH+](C)C)o1)C(C)(C)C ZINC001326293304 989470746 /nfs/dbraw/zinc/47/07/46/989470746.db2.gz XVSYTWQPPWTYFF-VQHVLOKHSA-N 1 2 223.320 2.581 20 0 BFADLO CCc1cc(NCc2cnc(C)o2)nc(CC)[nH+]1 ZINC001120051645 989579391 /nfs/dbraw/zinc/57/93/91/989579391.db2.gz ATVKBHULQAXKDK-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO COCc1cc[nH+]c(NCCCC(F)(F)F)c1 ZINC001120058481 989580819 /nfs/dbraw/zinc/58/08/19/989580819.db2.gz SPTBBOZCVVIUIP-UHFFFAOYSA-N 1 2 248.248 2.982 20 0 BFADLO CCc1ccc(N(C)CC(O)(CC)CC)[nH+]c1 ZINC001120951324 989983503 /nfs/dbraw/zinc/98/35/03/989983503.db2.gz KRKVVZYQFTWZFM-UHFFFAOYSA-N 1 2 236.359 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2c(C)c[nH+]cc2C)o1 ZINC001121139025 990021626 /nfs/dbraw/zinc/02/16/26/990021626.db2.gz HKLDYKVSFVIGEE-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1cc(CNC(=O)c2ccccc2)cc(C)[nH+]1 ZINC001529061250 990328031 /nfs/dbraw/zinc/32/80/31/990328031.db2.gz XEHKEMUEUBLRJY-UHFFFAOYSA-N 1 2 240.306 2.628 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)C(F)=C1CCC1 ZINC001529652042 990358592 /nfs/dbraw/zinc/35/85/92/990358592.db2.gz RQXIZQASDRIWRI-UHFFFAOYSA-N 1 2 245.257 2.680 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C1CCC=CCC1 ZINC001123374685 990565982 /nfs/dbraw/zinc/56/59/82/990565982.db2.gz FDPYILNRFCAHQX-UHFFFAOYSA-N 1 2 248.326 2.693 20 0 BFADLO CCc1cccc(C)c1NC(=O)[C@@H]1CC[N@H+]1CC ZINC001542189259 990659539 /nfs/dbraw/zinc/65/95/39/990659539.db2.gz OLYYTDDFRUKSJI-ZDUSSCGKSA-N 1 2 246.354 2.590 20 0 BFADLO CCc1cccc(C)c1NC(=O)[C@@H]1CC[N@@H+]1CC ZINC001542189259 990659546 /nfs/dbraw/zinc/65/95/46/990659546.db2.gz OLYYTDDFRUKSJI-ZDUSSCGKSA-N 1 2 246.354 2.590 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccncn2)c1F ZINC001137680299 990839452 /nfs/dbraw/zinc/83/94/52/990839452.db2.gz WNRURRNFDRSRRZ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccncn2)c1F ZINC001137680299 990839454 /nfs/dbraw/zinc/83/94/54/990839454.db2.gz WNRURRNFDRSRRZ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3ccsc3C2)cn1 ZINC001137741043 990848064 /nfs/dbraw/zinc/84/80/64/990848064.db2.gz MJUOJYNDTCNSNR-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3ccsc3C2)cn1 ZINC001137741043 990848067 /nfs/dbraw/zinc/84/80/67/990848067.db2.gz MJUOJYNDTCNSNR-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(F)c(C[NH+]2CC3CC(C3)C2)c1F ZINC001137933903 990870437 /nfs/dbraw/zinc/87/04/37/990870437.db2.gz ZDOWCGJLPFRLRH-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO Cc1ccc(Cl)c(C[NH+]2CCC2)c1F ZINC001138030876 990877197 /nfs/dbraw/zinc/87/71/97/990877197.db2.gz VQZKGUZCXFSXGU-UHFFFAOYSA-N 1 2 213.683 2.993 20 0 BFADLO CCOc1cccc(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001138095703 990879951 /nfs/dbraw/zinc/87/99/51/990879951.db2.gz AJXXWUYFAODNHS-LBPRGKRZSA-N 1 2 247.338 2.639 20 0 BFADLO CCOc1cccc(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001138095703 990879954 /nfs/dbraw/zinc/87/99/54/990879954.db2.gz AJXXWUYFAODNHS-LBPRGKRZSA-N 1 2 247.338 2.639 20 0 BFADLO Cn1c2ccccc2nc1C[NH+]1CC2(CCC2)C1 ZINC001138376583 990923834 /nfs/dbraw/zinc/92/38/34/990923834.db2.gz SISLLCKLVYQASN-UHFFFAOYSA-N 1 2 241.338 2.559 20 0 BFADLO Cc1cncc(NCc2cccc3[nH+]ccn32)c1 ZINC001308340538 990967424 /nfs/dbraw/zinc/96/74/24/990967424.db2.gz WMJSHUPSEDRMCA-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001258088522 990994301 /nfs/dbraw/zinc/99/43/01/990994301.db2.gz MNQOVPKVZBIAJL-NSHDSACASA-N 1 2 237.347 2.945 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001258088522 990994310 /nfs/dbraw/zinc/99/43/10/990994310.db2.gz MNQOVPKVZBIAJL-NSHDSACASA-N 1 2 237.347 2.945 20 0 BFADLO CCSc1ncc(C[NH+]2CC3(CCC3)C2)cn1 ZINC001138650183 990999315 /nfs/dbraw/zinc/99/93/15/990999315.db2.gz RTFULAGYPQMAJD-UHFFFAOYSA-N 1 2 249.383 2.575 20 0 BFADLO CSc1ncc(C[NH+]2CC3(C2)CCCC3)cn1 ZINC001138701141 991010259 /nfs/dbraw/zinc/01/02/59/991010259.db2.gz JWACTQXCTLRDRC-UHFFFAOYSA-N 1 2 249.383 2.575 20 0 BFADLO Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138720628 991018779 /nfs/dbraw/zinc/01/87/79/991018779.db2.gz ZDIRNTGDLWTFLJ-QWRGUYRKSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001138720628 991018784 /nfs/dbraw/zinc/01/87/84/991018784.db2.gz ZDIRNTGDLWTFLJ-QWRGUYRKSA-N 1 2 237.730 2.622 20 0 BFADLO CCc1cc(N2C[C@H](C)[C@H](C)C2)nc(CC)[nH+]1 ZINC001559115832 991038311 /nfs/dbraw/zinc/03/83/11/991038311.db2.gz IEMUNWYTMPIUOQ-PHIMTYICSA-N 1 2 233.359 2.694 20 0 BFADLO Fc1ncccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001138783217 991040319 /nfs/dbraw/zinc/04/03/19/991040319.db2.gz NTERWTKRXZVERH-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ncccc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001138783217 991040329 /nfs/dbraw/zinc/04/03/29/991040329.db2.gz NTERWTKRXZVERH-NSHDSACASA-N 1 2 226.270 2.545 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccnc2F)CCC1(F)F ZINC001138782649 991040343 /nfs/dbraw/zinc/04/03/43/991040343.db2.gz DEFCSGOLDKYZTF-SECBINFHSA-N 1 2 244.260 2.698 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccnc2F)CCC1(F)F ZINC001138782649 991040346 /nfs/dbraw/zinc/04/03/46/991040346.db2.gz DEFCSGOLDKYZTF-SECBINFHSA-N 1 2 244.260 2.698 20 0 BFADLO C[C@]1(F)CCCC[N@H+](Cc2cccnc2F)C1 ZINC001138782581 991042344 /nfs/dbraw/zinc/04/23/44/991042344.db2.gz AIYCOBGOUIKSMS-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO C[C@]1(F)CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001138782581 991042356 /nfs/dbraw/zinc/04/23/56/991042356.db2.gz AIYCOBGOUIKSMS-ZDUSSCGKSA-N 1 2 240.297 2.935 20 0 BFADLO CC[N@H+](Cc1cc(F)cnc1Cl)C1CC1 ZINC001138890317 991095714 /nfs/dbraw/zinc/09/57/14/991095714.db2.gz HNYKDIKHMIWWGR-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO CC[N@@H+](Cc1cc(F)cnc1Cl)C1CC1 ZINC001138890317 991095722 /nfs/dbraw/zinc/09/57/22/991095722.db2.gz HNYKDIKHMIWWGR-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO Cc1cc(C)c(/C=C/C[NH+]2CC(C)(O)C2)cc1C ZINC001308810756 991149384 /nfs/dbraw/zinc/14/93/84/991149384.db2.gz ZKFSJOGPARFNTM-AATRIKPKSA-N 1 2 245.366 2.692 20 0 BFADLO C[C@]1(C[N@@H+]2CCCC(F)(F)C2)CCCCO1 ZINC001308848841 991175752 /nfs/dbraw/zinc/17/57/52/991175752.db2.gz DCRZNDJASWEUNR-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO C[C@]1(C[N@H+]2CCCC(F)(F)C2)CCCCO1 ZINC001308848841 991175766 /nfs/dbraw/zinc/17/57/66/991175766.db2.gz DCRZNDJASWEUNR-LLVKDONJSA-N 1 2 233.302 2.677 20 0 BFADLO O=C1CC[N@H+](C2CCCCCCC2)C[C@@H]1F ZINC001258239672 991186290 /nfs/dbraw/zinc/18/62/90/991186290.db2.gz BOMUYAAFNRIKGN-LBPRGKRZSA-N 1 2 227.323 2.712 20 0 BFADLO O=C1CC[N@@H+](C2CCCCCCC2)C[C@@H]1F ZINC001258239672 991186294 /nfs/dbraw/zinc/18/62/94/991186294.db2.gz BOMUYAAFNRIKGN-LBPRGKRZSA-N 1 2 227.323 2.712 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+]1CCOC[C@H]1C ZINC001139600608 991279620 /nfs/dbraw/zinc/27/96/20/991279620.db2.gz REVYUUPPQZBWPR-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+]1CCOC[C@H]1C ZINC001139600608 991279631 /nfs/dbraw/zinc/27/96/31/991279631.db2.gz REVYUUPPQZBWPR-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO COc1ccc(C[NH+]2CCOCC2)cc1C(C)C ZINC001139616136 991293447 /nfs/dbraw/zinc/29/34/47/991293447.db2.gz AJSQZZALGNXVFR-UHFFFAOYSA-N 1 2 249.354 2.651 20 0 BFADLO Cc1[nH]c(CN(CC(F)F)C2CCC2)[nH+]c1C ZINC001560148949 991395502 /nfs/dbraw/zinc/39/55/02/991395502.db2.gz PRFDOQKDJSGORS-UHFFFAOYSA-N 1 2 243.301 2.646 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccncc2Cl)C1 ZINC001139845788 991400824 /nfs/dbraw/zinc/40/08/24/991400824.db2.gz SOWSRWFFQMHLAH-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccncc2Cl)C1 ZINC001139845788 991400827 /nfs/dbraw/zinc/40/08/27/991400827.db2.gz SOWSRWFFQMHLAH-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Clc1cnccc1C[NH+]1CC2(CCC2)C1 ZINC001139845479 991403465 /nfs/dbraw/zinc/40/34/65/991403465.db2.gz FBKWTRKEPNKWHY-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3occc3C2)cn1 ZINC001139933233 991422561 /nfs/dbraw/zinc/42/25/61/991422561.db2.gz REDUPZYQEIRJRI-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3occc3C2)cn1 ZINC001139933233 991422564 /nfs/dbraw/zinc/42/25/64/991422564.db2.gz REDUPZYQEIRJRI-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Clc1ncc(C[NH+]2CC3(C2)CCCC3)cn1 ZINC001139988061 991470557 /nfs/dbraw/zinc/47/05/57/991470557.db2.gz NIVOUUFJIBNLDV-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO c1cc2cc(C[NH2+]Cc3csnn3)ccc2o1 ZINC001560548543 991501364 /nfs/dbraw/zinc/50/13/64/991501364.db2.gz SCHVUVJLYHMPGA-UHFFFAOYSA-N 1 2 245.307 2.574 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001140051020 991502351 /nfs/dbraw/zinc/50/23/51/991502351.db2.gz SJRWNUXLKZQVKN-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001140051020 991502359 /nfs/dbraw/zinc/50/23/59/991502359.db2.gz SJRWNUXLKZQVKN-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2F)C[C@H]1F ZINC001140124963 991526084 /nfs/dbraw/zinc/52/60/84/991526084.db2.gz YWXJUHILYOYKNF-NOZJJQNGSA-N 1 2 241.281 2.711 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2F)C[C@H]1F ZINC001140124963 991526090 /nfs/dbraw/zinc/52/60/90/991526090.db2.gz YWXJUHILYOYKNF-NOZJJQNGSA-N 1 2 241.281 2.711 20 0 BFADLO Cc1ccc2[nH]nc(C[N@H+]3C[C@H](F)C[C@H]3C)c2c1 ZINC001140328876 991606179 /nfs/dbraw/zinc/60/61/79/991606179.db2.gz NHLJKMSDRHNVCZ-GHMZBOCLSA-N 1 2 247.317 2.804 20 0 BFADLO Cc1ccc2[nH]nc(C[N@@H+]3C[C@H](F)C[C@H]3C)c2c1 ZINC001140328876 991606184 /nfs/dbraw/zinc/60/61/84/991606184.db2.gz NHLJKMSDRHNVCZ-GHMZBOCLSA-N 1 2 247.317 2.804 20 0 BFADLO CCCCC[C@H](CCC)[NH+]1CC(F)(CO)C1 ZINC001258667593 991608781 /nfs/dbraw/zinc/60/87/81/991608781.db2.gz PACOLBPKPRTJEM-LBPRGKRZSA-N 1 2 231.355 2.752 20 0 BFADLO Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@H](F)C3)c2c1 ZINC001140330104 991611248 /nfs/dbraw/zinc/61/12/48/991611248.db2.gz MGTFYKVYCSUSKS-NSHDSACASA-N 1 2 247.317 2.805 20 0 BFADLO Cc1ccc2n[nH]c(C[N@H+]3CCC[C@H](F)C3)c2c1 ZINC001140330104 991611255 /nfs/dbraw/zinc/61/12/55/991611255.db2.gz MGTFYKVYCSUSKS-NSHDSACASA-N 1 2 247.317 2.805 20 0 BFADLO Cc1ccc(Cl)nc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001140442069 991640182 /nfs/dbraw/zinc/64/01/82/991640182.db2.gz WMMNPHZORAUKLC-ZJUUUORDSA-N 1 2 242.725 2.833 20 0 BFADLO Cc1ccc(Cl)nc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001140442069 991640185 /nfs/dbraw/zinc/64/01/85/991640185.db2.gz WMMNPHZORAUKLC-ZJUUUORDSA-N 1 2 242.725 2.833 20 0 BFADLO COC1C[NH+]([C@H](C)Cc2cccc(Cl)c2)C1 ZINC001258745749 991692358 /nfs/dbraw/zinc/69/23/58/991692358.db2.gz VCQNLHUZCOZCBI-SNVBAGLBSA-N 1 2 239.746 2.602 20 0 BFADLO Cc1cc(NC(=O)c2c(C)cccc2F)cc[nH+]1 ZINC001319060307 991776603 /nfs/dbraw/zinc/77/66/03/991776603.db2.gz AXXAYOSUOCEAAX-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO C[C@H](C(=O)N[C@@H]1CCCCC1(C)C)n1cc[nH+]c1 ZINC001319255549 991825004 /nfs/dbraw/zinc/82/50/04/991825004.db2.gz WYRVDHODCCBQCQ-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO CC[C@@H](Cc1ccccc1)[NH+]1CC(F)C1 ZINC001258844366 991873718 /nfs/dbraw/zinc/87/37/18/991873718.db2.gz MZRACUHQKFSIJM-ZDUSSCGKSA-N 1 2 207.292 2.661 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)Cc1cc(C)[nH]n1 ZINC001319829423 991997501 /nfs/dbraw/zinc/99/75/01/991997501.db2.gz UGEFDOWJWKOFCS-LLVKDONJSA-N 1 2 241.404 2.682 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)Cc1cc(C)[nH]n1 ZINC001319829423 991997524 /nfs/dbraw/zinc/99/75/24/991997524.db2.gz UGEFDOWJWKOFCS-LLVKDONJSA-N 1 2 241.404 2.682 20 0 BFADLO CCC[C@@H](C)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001320197850 992127755 /nfs/dbraw/zinc/12/77/55/992127755.db2.gz FRICDEKTXMQUPE-ZJUUUORDSA-N 1 2 234.303 2.779 20 0 BFADLO CCc1cc(N2CC(C)(C)C2(C)C)nc(C)[nH+]1 ZINC001320262294 992149519 /nfs/dbraw/zinc/14/95/19/992149519.db2.gz LTONMIVYZHNMDH-UHFFFAOYSA-N 1 2 233.359 2.972 20 0 BFADLO CC(C)c1ocnc1C[N@H+]1CC=CCC1 ZINC001320721956 992333593 /nfs/dbraw/zinc/33/35/93/992333593.db2.gz YVPCODSOPCBNMJ-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO CC(C)c1ocnc1C[N@@H+]1CC=CCC1 ZINC001320721956 992333604 /nfs/dbraw/zinc/33/36/04/992333604.db2.gz YVPCODSOPCBNMJ-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO CCc1ccc(N2CCO[C@](C)(CC)C2)[nH+]c1 ZINC001262693295 993032337 /nfs/dbraw/zinc/03/23/37/993032337.db2.gz KGAPXVOIDSLYLK-CQSZACIVSA-N 1 2 234.343 2.649 20 0 BFADLO CCc1ccc(N2CCCC[C@H](COC)C2)[nH+]c1 ZINC001262692122 993033373 /nfs/dbraw/zinc/03/33/73/993033373.db2.gz ZDPNRQVQWGJFCQ-AWEZNQCLSA-N 1 2 248.370 2.897 20 0 BFADLO CCc1ccc(N2CC[C@@H]([C@@H]3CCCO3)C2)[nH+]c1 ZINC001262705434 993046561 /nfs/dbraw/zinc/04/65/61/993046561.db2.gz IOBPATMYTBRNSF-KGLIPLIRSA-N 1 2 246.354 2.649 20 0 BFADLO CCc1ccc(N2CC[C@H]([C@@H]3CCCO3)C2)[nH+]c1 ZINC001262705433 993047259 /nfs/dbraw/zinc/04/72/59/993047259.db2.gz IOBPATMYTBRNSF-KBPBESRZSA-N 1 2 246.354 2.649 20 0 BFADLO CC(C)c1cncc(NCc2ccc(N)[nH+]c2)c1 ZINC001575863763 993115101 /nfs/dbraw/zinc/11/51/01/993115101.db2.gz OOOICSUGNAZHHA-UHFFFAOYSA-N 1 2 242.326 2.794 20 0 BFADLO CCC[C@H](O)CNc1cc(C)c2ccccc2[nH+]1 ZINC000380612057 993339546 /nfs/dbraw/zinc/33/95/46/993339546.db2.gz KSVJOHKRVCEUDL-LBPRGKRZSA-N 1 2 244.338 2.538 20 0 BFADLO CC(C)OC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000382479963 993463082 /nfs/dbraw/zinc/46/30/82/993463082.db2.gz NJASFHORNGZEBU-UHFFFAOYSA-N 1 2 239.359 2.616 20 0 BFADLO CC(C)OC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000382479963 993463088 /nfs/dbraw/zinc/46/30/88/993463088.db2.gz NJASFHORNGZEBU-UHFFFAOYSA-N 1 2 239.359 2.616 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)c(C)[nH+]1 ZINC000384551920 993601527 /nfs/dbraw/zinc/60/15/27/993601527.db2.gz GIZINZUGUPRNLH-UFGOTCBOSA-N 1 2 220.316 2.676 20 0 BFADLO CN(C)c1ccc(Nc2cccc(Cl)n2)c[nH+]1 ZINC000387173367 993700564 /nfs/dbraw/zinc/70/05/64/993700564.db2.gz IDRDNYOXUOVSRP-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc[nH]1 ZINC001336748818 995097257 /nfs/dbraw/zinc/09/72/57/995097257.db2.gz YWTPCMUMYBUIPX-QMMMGPOBSA-N 1 2 248.355 2.594 20 0 BFADLO CC(C)CCC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001304105835 995188931 /nfs/dbraw/zinc/18/89/31/995188931.db2.gz SGOHSEBOLSKTDD-UHFFFAOYSA-N 1 2 237.347 2.586 20 0 BFADLO CC(C)CCC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001304105835 995188935 /nfs/dbraw/zinc/18/89/35/995188935.db2.gz SGOHSEBOLSKTDD-UHFFFAOYSA-N 1 2 237.347 2.586 20 0 BFADLO CCNc1ccc(Nc2cncc(Cl)n2)c[nH+]1 ZINC001307235863 995306042 /nfs/dbraw/zinc/30/60/42/995306042.db2.gz YAFLXJBRHXSKFL-UHFFFAOYSA-N 1 2 249.705 2.700 20 0 BFADLO CCc1cn(Cc2cccc(C)c2)c[nH+]1 ZINC001307398078 995343438 /nfs/dbraw/zinc/34/34/38/995343438.db2.gz ZPBMVXCAFJDSPW-UHFFFAOYSA-N 1 2 200.285 2.802 20 0 BFADLO COCCCC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001308154858 995572956 /nfs/dbraw/zinc/57/29/56/995572956.db2.gz ULOYNHAMNMFSKR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO COCCCC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001308154858 995572966 /nfs/dbraw/zinc/57/29/66/995572966.db2.gz ULOYNHAMNMFSKR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO FC(F)O[C@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000336909978 398138525 /nfs/dbraw/zinc/13/85/25/398138525.db2.gz IDHUMIYTVLLLJO-BDAKNGLRSA-N 1 2 228.242 2.654 20 0 BFADLO Cc1cccnc1C[NH2+][C@@H](C)c1cscn1 ZINC000161192877 538914837 /nfs/dbraw/zinc/91/48/37/538914837.db2.gz BHHFFFUOGSTMIF-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO COc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)[nH+]c1 ZINC000389848797 398140725 /nfs/dbraw/zinc/14/07/25/398140725.db2.gz RQUXFTVPGNGEGZ-IQJOONFLSA-N 1 2 206.289 2.547 20 0 BFADLO CC(C)(C)c1nc(C[NH+]2CCCCCC2)no1 ZINC000051092626 398142151 /nfs/dbraw/zinc/14/21/51/398142151.db2.gz QAFLFWOYBKGAEM-UHFFFAOYSA-N 1 2 237.347 2.743 20 0 BFADLO CCC(CC)C(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000361886063 168333130 /nfs/dbraw/zinc/33/31/30/168333130.db2.gz UTKCGOXNDDOHFE-UHFFFAOYSA-N 1 2 249.358 2.547 20 0 BFADLO CCC(CC)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000169813313 168334726 /nfs/dbraw/zinc/33/47/26/168334726.db2.gz ALBWAAWYOHDXQC-LBPRGKRZSA-N 1 2 249.358 2.552 20 0 BFADLO CCC(CC)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000192994301 168334971 /nfs/dbraw/zinc/33/49/71/168334971.db2.gz MGCJVXPGSOXPLG-LBPRGKRZSA-N 1 2 249.358 2.900 20 0 BFADLO CCCCCCC(=O)NCCNc1cccc[nH+]1 ZINC000299221890 398149617 /nfs/dbraw/zinc/14/96/17/398149617.db2.gz MIZMXUBZRYJECB-UHFFFAOYSA-N 1 2 249.358 2.580 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)C(F)F ZINC000389951322 398151025 /nfs/dbraw/zinc/15/10/25/398151025.db2.gz SUZIJBCJYXDEQZ-SCZZXKLOSA-N 1 2 226.270 2.702 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H]2C)nn1C ZINC000336714096 178009554 /nfs/dbraw/zinc/00/95/54/178009554.db2.gz QGHYGCTUPOSRQJ-GFCCVEGCSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H]2C)nn1C ZINC000336714096 178009556 /nfs/dbraw/zinc/00/95/56/178009556.db2.gz QGHYGCTUPOSRQJ-GFCCVEGCSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cc(C[NH2+]C2(c3ccccc3)CC2)no1 ZINC000264016138 178018359 /nfs/dbraw/zinc/01/83/59/178018359.db2.gz ULAYCJKDMQETAD-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO C[C@H](Nc1c[nH]c[nH+]1)C1C(C)(C)C1(C)C ZINC000380318290 398171518 /nfs/dbraw/zinc/17/15/18/398171518.db2.gz JOYUBKCORCLGPT-QMMMGPOBSA-N 1 2 207.321 2.892 20 0 BFADLO Cc1cc(CNc2ccc(CO)c[nH+]2)cs1 ZINC000297052954 178043153 /nfs/dbraw/zinc/04/31/53/178043153.db2.gz YSMJPPYMJRHZDA-UHFFFAOYSA-N 1 2 234.324 2.556 20 0 BFADLO Cc1cc(CNc2cccc[nH+]2)c(C)o1 ZINC000114450586 178043972 /nfs/dbraw/zinc/04/39/72/178043972.db2.gz MDSHEQPGSHCNAX-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1cc(F)cc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294044926 178079533 /nfs/dbraw/zinc/07/95/33/178079533.db2.gz IYEHIMSZNKKHBD-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCOC[C@@H]1C ZINC000280231975 178096570 /nfs/dbraw/zinc/09/65/70/178096570.db2.gz KKTLITQOEOCNBJ-WFASDCNBSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCOC[C@@H]1C ZINC000280231975 178096572 /nfs/dbraw/zinc/09/65/72/178096572.db2.gz KKTLITQOEOCNBJ-WFASDCNBSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)[C@H](C)Cc2cccs2)nc[nH+]1 ZINC000301505955 178100250 /nfs/dbraw/zinc/10/02/50/178100250.db2.gz ZWOPWPDDZVJEIQ-LLVKDONJSA-N 1 2 247.367 2.914 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cncnc1 ZINC000271028412 538923179 /nfs/dbraw/zinc/92/31/79/538923179.db2.gz GOCGRYNSJWAFDM-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cncnc1 ZINC000271028412 538923181 /nfs/dbraw/zinc/92/31/81/538923181.db2.gz GOCGRYNSJWAFDM-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO Cc1cc(N(C)[C@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000360051691 178101070 /nfs/dbraw/zinc/10/10/70/178101070.db2.gz FUOBHBIMLSNDEJ-NSHDSACASA-N 1 2 219.332 2.800 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@]3(C)C[C@H]3F)cc2[nH+]1 ZINC000424568555 398195070 /nfs/dbraw/zinc/19/50/70/398195070.db2.gz RRYOFAVKKUIADB-DGCLKSJQSA-N 1 2 247.273 2.558 20 0 BFADLO Cc1cc(N(C)[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000301246474 178102181 /nfs/dbraw/zinc/10/21/81/178102181.db2.gz OFTSFAVOUZPZBZ-PWSUYJOCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1cc(N)nc(S[C@H]2CC[C@H](C)C2)[nH+]1 ZINC000272437233 178110276 /nfs/dbraw/zinc/11/02/76/178110276.db2.gz RYVQZHZFEGIUIW-CBAPKCEASA-N 1 2 223.345 2.648 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000649401617 398199132 /nfs/dbraw/zinc/19/91/32/398199132.db2.gz MWVXOMLYVAWTNT-QMMMGPOBSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1CC1CC(F)(F)C1 ZINC000649401617 398199133 /nfs/dbraw/zinc/19/91/33/398199133.db2.gz MWVXOMLYVAWTNT-QMMMGPOBSA-N 1 2 225.229 2.761 20 0 BFADLO Cc1cc(N2CCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000172812081 178114016 /nfs/dbraw/zinc/11/40/16/178114016.db2.gz XZLCLEAHHPXNQS-JTQLQIEISA-N 1 2 217.316 2.651 20 0 BFADLO Cc1cc(N2CCC[C@H]2CF)nc(C2CC2)[nH+]1 ZINC000294006695 178116032 /nfs/dbraw/zinc/11/60/32/178116032.db2.gz JWPUXKOXOKOLCO-NSHDSACASA-N 1 2 235.306 2.601 20 0 BFADLO Cc1cc(N2CC[C@@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000175058067 178118029 /nfs/dbraw/zinc/11/80/29/178118029.db2.gz VSDOTPHMDMLDKT-KOLCDFICSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(=O)NCC(C)(C)C)cc[nH+]1 ZINC000074921618 178138597 /nfs/dbraw/zinc/13/85/97/178138597.db2.gz MKKOMNJEFUICJU-UHFFFAOYSA-N 1 2 221.304 2.558 20 0 BFADLO C[C@H](CC(=O)N(C)C1(C)CCCC1)n1cc[nH+]c1 ZINC000649973741 398201857 /nfs/dbraw/zinc/20/18/57/398201857.db2.gz OMIKXSZNGFVLIJ-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cc(N2C[C@@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000336611669 178120943 /nfs/dbraw/zinc/12/09/43/178120943.db2.gz FWKCUKMQDWAMRI-RYUDHWBXSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(=O)CCC2CCC2)cc[nH+]1 ZINC000176638292 178128790 /nfs/dbraw/zinc/12/87/90/178128790.db2.gz LFJNBHZHKMSIDI-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1ccc(C)[nH+]c1C ZINC000162948784 538925866 /nfs/dbraw/zinc/92/58/66/538925866.db2.gz ZIVKWEPIGKZQAI-ONGXEEELSA-N 1 2 208.305 2.534 20 0 BFADLO Cc1cc(NC(=O)N(C)Cc2ccco2)cc[nH+]1 ZINC000119440006 178135216 /nfs/dbraw/zinc/13/52/16/178135216.db2.gz ZVMKYBHNLPQBAJ-UHFFFAOYSA-N 1 2 245.282 2.647 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000119700593 178137431 /nfs/dbraw/zinc/13/74/31/178137431.db2.gz RVQNLDGVNFWLRI-KOLCDFICSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1cc(NC(=O)N2[C@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000119839090 178137508 /nfs/dbraw/zinc/13/75/08/178137508.db2.gz SBYCBMRJILPSEM-PHIMTYICSA-N 1 2 233.315 2.795 20 0 BFADLO Cc1cc(NC(=O)NC2(C)CCCC2)cc[nH+]1 ZINC000271143900 178137621 /nfs/dbraw/zinc/13/76/21/178137621.db2.gz QXAJOGQBHMVIJF-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000119632381 178141158 /nfs/dbraw/zinc/14/11/58/178141158.db2.gz MMNMUACPGLSUTQ-JOYOIKCWSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2C=CCCC2)cc[nH+]1 ZINC000119581912 178141382 /nfs/dbraw/zinc/14/13/82/178141382.db2.gz OWUNQDMRJJJGOW-LLVKDONJSA-N 1 2 231.299 2.620 20 0 BFADLO Cc1cc([NH2+]C[C@@H]2CCCCO2)ccc1N ZINC000042813626 178164743 /nfs/dbraw/zinc/16/47/43/178164743.db2.gz RVDWBYJSPMXFGK-LBPRGKRZSA-N 1 2 220.316 2.558 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C(C)C)cc[nH+]1 ZINC000171978176 178143779 /nfs/dbraw/zinc/14/37/79/178143779.db2.gz QOYIJGSEFROWEW-JTQLQIEISA-N 1 2 206.289 2.621 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)C(C)(F)F)cc[nH+]1 ZINC000293563517 178144150 /nfs/dbraw/zinc/14/41/50/178144150.db2.gz DAFAAEVGVMIPQF-MRVPVSSYSA-N 1 2 228.242 2.620 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC=CCC2)cc[nH+]1 ZINC000073069113 178148026 /nfs/dbraw/zinc/14/80/26/178148026.db2.gz DARAAZFWAURBAH-NSHDSACASA-N 1 2 216.284 2.685 20 0 BFADLO Cc1cc(NC(=O)c2cc(Cl)ccn2)cc[nH+]1 ZINC000106072575 178150772 /nfs/dbraw/zinc/15/07/72/178150772.db2.gz JKCNRAOBFKOIDX-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO Cc1cc(NCC2(CCO)CCCCC2)nc[nH+]1 ZINC000301536311 178155936 /nfs/dbraw/zinc/15/59/36/178155936.db2.gz AJSFRMDNKXJVHP-UHFFFAOYSA-N 1 2 249.358 2.530 20 0 BFADLO Cc1cc(NCCC[C@@H]2CCCCO2)nc[nH+]1 ZINC000302126096 178159878 /nfs/dbraw/zinc/15/98/78/178159878.db2.gz AORNUXFVKOVTGJ-LBPRGKRZSA-N 1 2 235.331 2.546 20 0 BFADLO Cc1csc([C@H](C)CNc2cc(C)[nH+]cn2)n1 ZINC000302115704 178164413 /nfs/dbraw/zinc/16/44/13/178164413.db2.gz CQCWGHQSUGXJAK-MRVPVSSYSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1cnc([C@@H](C)CNc2cc(C)[nH+]cn2)s1 ZINC000302134303 178168612 /nfs/dbraw/zinc/16/86/12/178168612.db2.gz LTXHWKKVCWDJJJ-QMMMGPOBSA-N 1 2 248.355 2.766 20 0 BFADLO Cc1cc([NH2+]C[C@H]2CCCCO2)ccc1N ZINC000042813631 178168737 /nfs/dbraw/zinc/16/87/37/178168737.db2.gz RVDWBYJSPMXFGK-GFCCVEGCSA-N 1 2 220.316 2.558 20 0 BFADLO Cc1cc(NC[C@H]2CCc3ccccc32)nc[nH+]1 ZINC000110595821 178169827 /nfs/dbraw/zinc/16/98/27/178169827.db2.gz BBURODAYKLIMFR-CYBMUJFWSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1cc(NC[C@H]2CCCOC2)nc(C2CC2)[nH+]1 ZINC000172014635 178170163 /nfs/dbraw/zinc/17/01/63/178170163.db2.gz NBFYYBQAQYGJTL-LLVKDONJSA-N 1 2 247.342 2.501 20 0 BFADLO Cc1n[nH]cc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000038011919 178171567 /nfs/dbraw/zinc/17/15/67/178171567.db2.gz NZTHKXLJOLSIPN-UHFFFAOYSA-N 1 2 245.330 2.552 20 0 BFADLO Cc1cc(N[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040727075 178189234 /nfs/dbraw/zinc/18/92/34/178189234.db2.gz FORLJIPMGBHXKS-ONGXEEELSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(NCc2cscn2)nc(C(C)C)[nH+]1 ZINC000070168334 178176944 /nfs/dbraw/zinc/17/69/44/178176944.db2.gz ULQRTHVSAWXTKN-UHFFFAOYSA-N 1 2 248.355 2.977 20 0 BFADLO CC(C)(C)CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552581 398222595 /nfs/dbraw/zinc/22/25/95/398222595.db2.gz FMWXWOHLPPWIKV-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO Cc1cc(N[C@@H]2CCOC3(CCCC3)C2)nc[nH+]1 ZINC000301704298 178182695 /nfs/dbraw/zinc/18/26/95/178182695.db2.gz RMXPXSQERKPUBE-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000271377700 178183504 /nfs/dbraw/zinc/18/35/04/178183504.db2.gz JQHPVRHDTNRVHJ-CMPLNLGQSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(N[C@H]2CC23CCCCC3)nc[nH+]1 ZINC000309842949 178188938 /nfs/dbraw/zinc/18/89/38/178188938.db2.gz FEHVQPSYJHUZEJ-NSHDSACASA-N 1 2 217.316 2.920 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000044677682 178184052 /nfs/dbraw/zinc/18/40/52/178184052.db2.gz BTNOZUDOLIAGSP-QWHCGFSZSA-N 1 2 225.295 2.753 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H]2Cc2ccccc2)nc[nH+]1 ZINC000361090965 178184764 /nfs/dbraw/zinc/18/47/64/178184764.db2.gz ZFKBHYBBMIBCDL-UONOGXRCSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1cc(N[C@H](C)[C@@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000035238229 178185780 /nfs/dbraw/zinc/18/57/80/178185780.db2.gz GASLCZJNCIQSTL-NEPJUHHUSA-N 1 2 249.358 2.888 20 0 BFADLO CCOC1C[NH+](Cc2cccc(C3CC3)c2)C1 ZINC000421389127 192326611 /nfs/dbraw/zinc/32/66/11/192326611.db2.gz WQAKGZGWBMNIDW-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO Cc1cc(OCC2(C)COC2)c2ccccc2[nH+]1 ZINC000362751366 178209650 /nfs/dbraw/zinc/20/96/50/178209650.db2.gz FTTMUIVEQQRORH-UHFFFAOYSA-N 1 2 243.306 2.959 20 0 BFADLO Cc1cc(-c2c[nH]c[nH+]2)ccc1O[C@H]1CCOC1 ZINC000649427351 398228933 /nfs/dbraw/zinc/22/89/33/398228933.db2.gz KONDUAZGLSEAOM-LBPRGKRZSA-N 1 2 244.294 2.553 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2)no1 ZINC000279722936 178228986 /nfs/dbraw/zinc/22/89/86/178228986.db2.gz ZXBABCKWMTXHKZ-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1cc(-c2[nH]cc[nH+]2)ccc1O[C@@H]1CCOC1 ZINC000649427266 398231365 /nfs/dbraw/zinc/23/13/65/398231365.db2.gz IFYFGMMAASHUJD-GFCCVEGCSA-N 1 2 244.294 2.553 20 0 BFADLO C[C@H]([NH2+]C1(c2ccccc2F)CC1)c1ncc[nH]1 ZINC000278848505 538935288 /nfs/dbraw/zinc/93/52/88/538935288.db2.gz DTGONOSJIVUERW-JTQLQIEISA-N 1 2 245.301 2.889 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccn[nH]2)c(C)s1 ZINC000037123106 178251778 /nfs/dbraw/zinc/25/17/78/178251778.db2.gz XWNOMMAFKIMOKE-VIFPVBQESA-N 1 2 235.356 2.939 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2)no1 ZINC000279722933 178252528 /nfs/dbraw/zinc/25/25/28/178252528.db2.gz ZXBABCKWMTXHKZ-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H](C)CCc1ccco1 ZINC000576887366 398242804 /nfs/dbraw/zinc/24/28/04/398242804.db2.gz UJMRNMVQUJKYJB-NSHDSACASA-N 1 2 245.326 2.542 20 0 BFADLO C[C@@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000576528172 365619330 /nfs/dbraw/zinc/61/93/30/365619330.db2.gz DEZUPDVWZCGUSC-GARJFASQSA-N 1 2 249.358 2.659 20 0 BFADLO CCOCc1ccc(-c2c[nH]c[nH+]2)cc1F ZINC000649438593 398240525 /nfs/dbraw/zinc/24/05/25/398240525.db2.gz IEYACJTZJJJJMB-UHFFFAOYSA-N 1 2 220.247 2.752 20 0 BFADLO CCO[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C1(C)C ZINC000336775893 398240945 /nfs/dbraw/zinc/24/09/45/398240945.db2.gz DBBRDVZJJIKVHW-BDAKNGLRSA-N 1 2 233.302 2.577 20 0 BFADLO Cc1cc2[nH+]cn(Cc3cnns3)c2cc1C ZINC000298422802 178305735 /nfs/dbraw/zinc/30/57/35/178305735.db2.gz WPMPPABOLWJXAJ-UHFFFAOYSA-N 1 2 244.323 2.553 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCCCCO ZINC000235875673 178298710 /nfs/dbraw/zinc/29/87/10/178298710.db2.gz DNHQMOQKRBWNTD-UHFFFAOYSA-N 1 2 230.311 2.728 20 0 BFADLO Cc1cc2[nH+]cn(CCC[C@H](C)O)c2cc1C ZINC000045620925 178304685 /nfs/dbraw/zinc/30/46/85/178304685.db2.gz RQSUUKRPKZQVTH-LBPRGKRZSA-N 1 2 232.327 2.814 20 0 BFADLO CCC(CC)C[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094286 168365058 /nfs/dbraw/zinc/36/50/58/168365058.db2.gz CQVGOWQEWLHSLX-UHFFFAOYSA-N 1 2 245.330 2.510 20 0 BFADLO Cc1cc2[nH+]cn(C[C@@H]3CCCO3)c2cc1C ZINC000130722592 178305548 /nfs/dbraw/zinc/30/55/48/178305548.db2.gz KXQGZWGIWWMRIY-LBPRGKRZSA-N 1 2 230.311 2.832 20 0 BFADLO CC(F)(F)C[NH2+][C@@H]1CCCc2occc21 ZINC000378739654 346819783 /nfs/dbraw/zinc/81/97/83/346819783.db2.gz IIRBUYOCJUCEAM-SECBINFHSA-N 1 2 215.243 2.902 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178051307 538952554 /nfs/dbraw/zinc/95/25/54/538952554.db2.gz SCJRLTHQLHICGC-GFCCVEGCSA-N 1 2 240.297 2.828 20 0 BFADLO FC(F)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000178051307 538952556 /nfs/dbraw/zinc/95/25/56/538952556.db2.gz SCJRLTHQLHICGC-GFCCVEGCSA-N 1 2 240.297 2.828 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccccc1F ZINC000378792810 346834075 /nfs/dbraw/zinc/83/40/75/346834075.db2.gz OBPOWVDNCCNVRH-UHFFFAOYSA-N 1 2 203.207 2.571 20 0 BFADLO Cc1ccc(NC(=O)CC2CCC2)c(C)[nH+]1 ZINC000176188846 365686488 /nfs/dbraw/zinc/68/64/88/365686488.db2.gz IWSUTOLQMDQVCT-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO C[C@@H](CC(=O)N(C)C1CCCCC1)n1cc[nH+]c1 ZINC000649474395 398273716 /nfs/dbraw/zinc/27/37/16/398273716.db2.gz ASGMNFYIIZWPOW-LBPRGKRZSA-N 1 2 249.358 2.625 20 0 BFADLO C[C@H](CC(=O)N(C)C1CCCCC1)n1cc[nH+]c1 ZINC000649474394 398273796 /nfs/dbraw/zinc/27/37/96/398273796.db2.gz ASGMNFYIIZWPOW-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO COC(=O)C(C)(C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000600136163 342688979 /nfs/dbraw/zinc/68/89/79/342688979.db2.gz RFWVTJSPQWTJJH-LBPRGKRZSA-N 1 2 249.354 2.640 20 0 BFADLO Cc1ccc(NC(=O)Cc2ccccc2)c(C)[nH+]1 ZINC000176190103 365686950 /nfs/dbraw/zinc/68/69/50/365686950.db2.gz LIVNYMKMZKDNTJ-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO CSCCCSCc1ccc[nH+]c1N ZINC000319904122 342729160 /nfs/dbraw/zinc/72/91/60/342729160.db2.gz LUOLXDQQUZSGEN-UHFFFAOYSA-N 1 2 228.386 2.650 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C(C)C)cc1)C(=O)OC ZINC000083381184 398280844 /nfs/dbraw/zinc/28/08/44/398280844.db2.gz YZIYJWCJCAIPKN-AWEZNQCLSA-N 1 2 249.354 2.851 20 0 BFADLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(F)F ZINC000184769745 538969635 /nfs/dbraw/zinc/96/96/35/538969635.db2.gz SUSDQMDYKHUZIR-MRVPVSSYSA-N 1 2 245.317 2.862 20 0 BFADLO COc1ccc([C@H](C)[NH2+]CC(F)F)cc1OC ZINC000040491051 538971951 /nfs/dbraw/zinc/97/19/51/538971951.db2.gz BJGWYRKRKRVVQB-QMMMGPOBSA-N 1 2 245.269 2.620 20 0 BFADLO CCC(CC)[NH2+][C@@H](C(=O)OC)c1ccsc1 ZINC000278577107 168390254 /nfs/dbraw/zinc/39/02/54/168390254.db2.gz BGYGMIJZJGQWDG-LLVKDONJSA-N 1 2 241.356 2.740 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C(C)(F)F ZINC000335517275 398290275 /nfs/dbraw/zinc/29/02/75/398290275.db2.gz VJHBGTRMMKGPEQ-MRVPVSSYSA-N 1 2 242.269 2.928 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000623679659 398290582 /nfs/dbraw/zinc/29/05/82/398290582.db2.gz DNGFEOCHRKVERU-UHFFFAOYSA-N 1 2 245.317 2.842 20 0 BFADLO Cc1[nH+]cc(-c2cc(C)c(F)cc2F)n1C ZINC000630050511 361913758 /nfs/dbraw/zinc/91/37/58/361913758.db2.gz BZXORHRWKFWCTJ-UHFFFAOYSA-N 1 2 222.238 2.982 20 0 BFADLO C/C=C/C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000624776566 342828207 /nfs/dbraw/zinc/82/82/07/342828207.db2.gz DJPIKKBLNIKFJA-OOPCZODUSA-N 1 2 231.343 2.968 20 0 BFADLO C/C=C\C[C@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000624776567 342828250 /nfs/dbraw/zinc/82/82/50/342828250.db2.gz DJPIKKBLNIKFJA-SCOBNMCVSA-N 1 2 231.343 2.968 20 0 BFADLO C/C=C\C[C@@H]1CCCN(c2cc(C)[nH+]cn2)C1 ZINC000624776564 342828269 /nfs/dbraw/zinc/82/82/69/342828269.db2.gz DJPIKKBLNIKFJA-DHCBQETCSA-N 1 2 231.343 2.968 20 0 BFADLO CC[NH2+]c1ccc(-n2cccn2)cc1C ZINC000190858432 538990397 /nfs/dbraw/zinc/99/03/97/538990397.db2.gz DUDZNBRGJLHTKG-UHFFFAOYSA-N 1 2 201.273 2.613 20 0 BFADLO CCN(Cc1[nH+]ccn1CC)c1cccc(O)c1 ZINC000191554686 538992422 /nfs/dbraw/zinc/99/24/22/538992422.db2.gz ZWMILDFUXMNYDQ-UHFFFAOYSA-N 1 2 245.326 2.635 20 0 BFADLO CCn1cc[nH+]c1CNc1ncc(Cl)s1 ZINC000379946057 538982131 /nfs/dbraw/zinc/98/21/31/538982131.db2.gz QWBSHKWFDLYJSO-UHFFFAOYSA-N 1 2 242.735 2.625 20 0 BFADLO CCc1cc(NCc2cn(C)c[nH+]2)ccc1C ZINC000379958041 538982938 /nfs/dbraw/zinc/98/29/38/538982938.db2.gz KGAZNNITDNAFCN-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO CCc1ncc(C[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000381768667 539006945 /nfs/dbraw/zinc/00/69/45/539006945.db2.gz VTRGRYQPSIBUGA-SECBINFHSA-N 1 2 246.326 2.983 20 0 BFADLO c1csc(CNc2cc3cc[nH]c3c[nH+]2)n1 ZINC000381209984 538996704 /nfs/dbraw/zinc/99/67/04/538996704.db2.gz GZBXXIDGCWFHOA-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO CCC[N@@H+](Cc1ccc(O)cc1)CC(F)F ZINC000386995265 539013839 /nfs/dbraw/zinc/01/38/39/539013839.db2.gz VXAIYPPSIJWTPO-UHFFFAOYSA-N 1 2 229.270 2.869 20 0 BFADLO CCC[N@H+](Cc1ccc(O)cc1)CC(F)F ZINC000386995265 539013841 /nfs/dbraw/zinc/01/38/41/539013841.db2.gz VXAIYPPSIJWTPO-UHFFFAOYSA-N 1 2 229.270 2.869 20 0 BFADLO CC[C@@H](NC(=O)Nc1cc[nH+]cc1C)C(C)(C)C ZINC000348849604 136242071 /nfs/dbraw/zinc/24/20/71/136242071.db2.gz UFKSTRYAJVSVED-GFCCVEGCSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625059518 342846238 /nfs/dbraw/zinc/84/62/38/342846238.db2.gz AKLRRJDNMGMXGN-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625059518 342846240 /nfs/dbraw/zinc/84/62/40/342846240.db2.gz AKLRRJDNMGMXGN-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2noc(C3CCC3)n2)C1 ZINC000625066711 342848058 /nfs/dbraw/zinc/84/80/58/342848058.db2.gz WYHDARPIUIGWRD-GHMZBOCLSA-N 1 2 249.358 2.815 20 0 BFADLO CCCCc1cc(N[C@@H]2CCSC2)nc[nH+]1 ZINC000631133886 342861577 /nfs/dbraw/zinc/86/15/77/342861577.db2.gz LULYSPYKBFILHA-LLVKDONJSA-N 1 2 237.372 2.737 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccon1 ZINC000309779357 342895984 /nfs/dbraw/zinc/89/59/84/342895984.db2.gz MNPBVVLIOGHWRA-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)CC1CC1 ZINC000625159196 342897296 /nfs/dbraw/zinc/89/72/96/342897296.db2.gz ADYCJMBEXGGTKE-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)CC1CC1 ZINC000625159196 342897298 /nfs/dbraw/zinc/89/72/98/342897298.db2.gz ADYCJMBEXGGTKE-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccsc2)oc1C ZINC000064138688 342897466 /nfs/dbraw/zinc/89/74/66/342897466.db2.gz NNNWBPFAQIRASX-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccsc2)oc1C ZINC000064138688 342897468 /nfs/dbraw/zinc/89/74/68/342897468.db2.gz NNNWBPFAQIRASX-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CCCCc1cc(N[C@@H]2CCC[C@H]2OC)nc[nH+]1 ZINC000631291781 342901128 /nfs/dbraw/zinc/90/11/28/342901128.db2.gz BBMYOEFOIGHCGZ-CHWSQXEVSA-N 1 2 249.358 2.799 20 0 BFADLO C[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625212371 342914822 /nfs/dbraw/zinc/91/48/22/342914822.db2.gz HXHGWRNYEZRXAI-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625212371 342914824 /nfs/dbraw/zinc/91/48/24/342914824.db2.gz HXHGWRNYEZRXAI-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625220484 342919407 /nfs/dbraw/zinc/91/94/07/342919407.db2.gz BFQKAFIZMINDJW-AWEZNQCLSA-N 1 2 249.358 2.959 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625220484 342919408 /nfs/dbraw/zinc/91/94/08/342919408.db2.gz BFQKAFIZMINDJW-AWEZNQCLSA-N 1 2 249.358 2.959 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@H+](CCCO)c1ccccc1 ZINC000625224670 342921037 /nfs/dbraw/zinc/92/10/37/342921037.db2.gz MVWNRRPLUPTLTP-CHWSQXEVSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@@H]1C[C@@H]1C[N@@H+](CCCO)c1ccccc1 ZINC000625224670 342921038 /nfs/dbraw/zinc/92/10/38/342921038.db2.gz MVWNRRPLUPTLTP-CHWSQXEVSA-N 1 2 219.328 2.531 20 0 BFADLO Cc1ccccc1[C@@H](CO)Nc1cccc[nH+]1 ZINC000531094730 398326872 /nfs/dbraw/zinc/32/68/72/398326872.db2.gz PMFGSZSLXHSDJH-CYBMUJFWSA-N 1 2 228.295 2.536 20 0 BFADLO Cc1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2)n1 ZINC000351626507 136248950 /nfs/dbraw/zinc/24/89/50/136248950.db2.gz CSVOVUJBTNVZNZ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C[N@H+](C)Cc2cc(C)cc(C)c2)n1 ZINC000351626507 136248951 /nfs/dbraw/zinc/24/89/51/136248951.db2.gz CSVOVUJBTNVZNZ-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1[nH]c(CNc2ccccc2)[nH+]c1C ZINC000037483142 342937425 /nfs/dbraw/zinc/93/74/25/342937425.db2.gz LHTOTTVZELAFLS-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1occc1SCCCn1cc[nH+]c1 ZINC000131366676 398340826 /nfs/dbraw/zinc/34/08/26/398340826.db2.gz NSRLCEZVKGXTLR-UHFFFAOYSA-N 1 2 222.313 2.967 20 0 BFADLO CC1(C)Cc2cc(C[NH2+]CC(F)F)ccc2O1 ZINC000136574522 398342831 /nfs/dbraw/zinc/34/28/31/398342831.db2.gz SXJUAXRPENHFCM-UHFFFAOYSA-N 1 2 241.281 2.755 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(Cl)cc1 ZINC000037755829 342951784 /nfs/dbraw/zinc/95/17/84/342951784.db2.gz YCWZHSPURDWJGI-UHFFFAOYSA-N 1 2 205.635 2.695 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2cccnc2)s1 ZINC000175502827 346897602 /nfs/dbraw/zinc/89/76/02/346897602.db2.gz MZXYKKAAANBUKK-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2cccnc2)s1 ZINC000175502827 346897606 /nfs/dbraw/zinc/89/76/06/346897606.db2.gz MZXYKKAAANBUKK-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335903559 136259951 /nfs/dbraw/zinc/25/99/51/136259951.db2.gz BIAMBJQRDLBGOV-JTQLQIEISA-N 1 2 249.358 2.765 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000335903559 136259952 /nfs/dbraw/zinc/25/99/52/136259952.db2.gz BIAMBJQRDLBGOV-JTQLQIEISA-N 1 2 249.358 2.765 20 0 BFADLO COCC[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346412551 536778946 /nfs/dbraw/zinc/77/89/46/536778946.db2.gz ALKQRDCFCOOYQN-GFCCVEGCSA-N 1 2 249.358 2.519 20 0 BFADLO CC[C@@H]1CC[C@@H]1Nc1[nH+]cccc1OC ZINC000308904582 259340841 /nfs/dbraw/zinc/34/08/41/259340841.db2.gz CEARVOCCRRXMIG-ZJUUUORDSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1ccc2nc(CNc3cccc[nH+]3)cn2c1 ZINC000048625751 343049052 /nfs/dbraw/zinc/04/90/52/343049052.db2.gz MYYWQSPRXZKALD-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CCC(C)(C)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625252555 343052419 /nfs/dbraw/zinc/05/24/19/343052419.db2.gz VPYQMQZDJHBVST-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CCC(C)(C)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625252555 343052420 /nfs/dbraw/zinc/05/24/20/343052420.db2.gz VPYQMQZDJHBVST-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2ccco2)n1 ZINC000038090618 343059662 /nfs/dbraw/zinc/05/96/62/343059662.db2.gz LJABZPKBFAJJNL-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CCCSC1 ZINC000384182248 343060654 /nfs/dbraw/zinc/06/06/54/343060654.db2.gz XCPDRCHCAHUTPV-SNVBAGLBSA-N 1 2 238.356 2.645 20 0 BFADLO C[C@H](CC(=O)N[C@@H]1CC[C@@H](C)CC1)n1cc[nH+]c1 ZINC000576827545 365696557 /nfs/dbraw/zinc/69/65/57/365696557.db2.gz VCOKMNSFUCWRKF-JHJVBQTASA-N 1 2 249.358 2.529 20 0 BFADLO C[C@@H](CC(=O)N[C@@H]1CC[C@@H](C)CC1)n1cc[nH+]c1 ZINC000576827544 365696612 /nfs/dbraw/zinc/69/66/12/365696612.db2.gz VCOKMNSFUCWRKF-AVGNSLFASA-N 1 2 249.358 2.529 20 0 BFADLO CCC[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631116997 346924353 /nfs/dbraw/zinc/92/43/53/346924353.db2.gz IOIWKLNWQBSVMB-CYBMUJFWSA-N 1 2 230.311 2.808 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580087 192356403 /nfs/dbraw/zinc/35/64/03/192356403.db2.gz VPNHZWJYMYBRSP-ZIAGYGMSSA-N 1 2 246.354 2.751 20 0 BFADLO Fc1ccc(C2CC(Nc3c[nH]c[nH+]3)C2)cc1 ZINC000576915469 365719781 /nfs/dbraw/zinc/71/97/81/365719781.db2.gz RWHAOFVSDCDNDB-UHFFFAOYSA-N 1 2 231.274 2.907 20 0 BFADLO Cc1cc(CNC(=O)CC2CCC2)cc(C)[nH+]1 ZINC000421579594 192355318 /nfs/dbraw/zinc/35/53/18/192355318.db2.gz UOJQCAHPANEVKG-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nnsc1Cl ZINC000124595828 343163559 /nfs/dbraw/zinc/16/35/59/343163559.db2.gz ODAJGVYBHWEIEV-JGVFFNPUSA-N 1 2 245.779 2.954 20 0 BFADLO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnsc1Cl ZINC000124595828 343163561 /nfs/dbraw/zinc/16/35/61/343163561.db2.gz ODAJGVYBHWEIEV-JGVFFNPUSA-N 1 2 245.779 2.954 20 0 BFADLO CC1CC(CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000621353065 343169578 /nfs/dbraw/zinc/16/95/78/343169578.db2.gz JLBXGEXCGCAJLQ-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CC1CC(CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000621353065 343169579 /nfs/dbraw/zinc/16/95/79/343169579.db2.gz JLBXGEXCGCAJLQ-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1cnccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000625275570 343215245 /nfs/dbraw/zinc/21/52/45/343215245.db2.gz IWEFWMMRIKPBPU-NSHDSACASA-N 1 2 226.270 2.620 20 0 BFADLO Cc1cnccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000625275570 343215247 /nfs/dbraw/zinc/21/52/47/343215247.db2.gz IWEFWMMRIKPBPU-NSHDSACASA-N 1 2 226.270 2.620 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)c2ccccn2)c1 ZINC000134340578 343194275 /nfs/dbraw/zinc/19/42/75/343194275.db2.gz XSZLCEDTUCMMGB-LLVKDONJSA-N 1 2 213.284 2.958 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(Cl)c1 ZINC000034761124 343278231 /nfs/dbraw/zinc/27/82/31/343278231.db2.gz XZCMTMDQQRGNDH-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO COC(=O)C(C)(C)[NH2+][C@H](C)CCc1ccccc1 ZINC000037085511 343333539 /nfs/dbraw/zinc/33/35/39/343333539.db2.gz JNYROLCSMJAXJC-GFCCVEGCSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1ccc(NCc2[nH+]ccn2C)c(Cl)c1 ZINC000036804524 343324502 /nfs/dbraw/zinc/32/45/02/343324502.db2.gz IJWHANVPADKRCX-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1cc(C)cc(NCc2[nH+]ccn2C)c1 ZINC000036804549 343324732 /nfs/dbraw/zinc/32/47/32/343324732.db2.gz GXEVKGNOFPQGKP-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000036901653 343327187 /nfs/dbraw/zinc/32/71/87/343327187.db2.gz VRBKHLRCMJWVJA-VIFPVBQESA-N 1 2 233.290 2.708 20 0 BFADLO O=C(C[C@@H]1C=CCC1)Nc1c[nH+]c2n1CCCC2 ZINC000334635641 136292826 /nfs/dbraw/zinc/29/28/26/136292826.db2.gz RTUNOIFHARGBJO-LLVKDONJSA-N 1 2 245.326 2.514 20 0 BFADLO CC[C@@H]([NH2+]Cc1cscn1)c1nccs1 ZINC000070717365 343340397 /nfs/dbraw/zinc/34/03/97/343340397.db2.gz LYXAUXOSONTAIQ-SECBINFHSA-N 1 2 239.369 2.841 20 0 BFADLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC000061840291 344032175 /nfs/dbraw/zinc/03/21/75/344032175.db2.gz LBAAYGPEENKFDK-CYBMUJFWSA-N 1 2 249.354 2.754 20 0 BFADLO CC(C)c1nc(NCc2ccoc2)cc[nH+]1 ZINC000171863497 259358494 /nfs/dbraw/zinc/35/84/94/259358494.db2.gz GAGCLLLVXLKDEF-UHFFFAOYSA-N 1 2 217.272 2.805 20 0 BFADLO CCOc1ccccc1C[NH2+]Cc1nccs1 ZINC000040443933 343403731 /nfs/dbraw/zinc/40/37/31/343403731.db2.gz NFLIIPOEMMZTCO-UHFFFAOYSA-N 1 2 248.351 2.832 20 0 BFADLO Cc1ccc([C@H]([NH2+]Cc2ccn[nH]2)C2CC2)cc1 ZINC000041015361 343412284 /nfs/dbraw/zinc/41/22/84/343412284.db2.gz QKHWMJRHKBHTGR-HNNXBMFYSA-N 1 2 241.338 2.959 20 0 BFADLO CCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000335725860 136347127 /nfs/dbraw/zinc/34/71/27/136347127.db2.gz WVNWHXGYNZLUGU-UHFFFAOYSA-N 1 2 229.283 2.734 20 0 BFADLO Cc1cc(Cn2cc(/C=C\C(C)C)nn2)cc[nH+]1 ZINC000641087930 362210417 /nfs/dbraw/zinc/21/04/17/362210417.db2.gz BWAYUSOPCAYBCJ-PLNGDYQASA-N 1 2 242.326 2.699 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccon1 ZINC000349246520 136332658 /nfs/dbraw/zinc/33/26/58/136332658.db2.gz SUZVXQLDPAEEQU-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CO2 ZINC000335700145 136333707 /nfs/dbraw/zinc/33/37/07/136333707.db2.gz UVERZTRSYZORSW-LBPRGKRZSA-N 1 2 233.242 2.642 20 0 BFADLO CCc1cc(N[C@H]2CCC[C@H]2C)nc[nH+]1 ZINC000070832906 343436579 /nfs/dbraw/zinc/43/65/79/343436579.db2.gz AMQAITVHRXTZFF-KOLCDFICSA-N 1 2 205.305 2.640 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)C1CCCC1 ZINC000350519328 136361749 /nfs/dbraw/zinc/36/17/49/136361749.db2.gz YFSMAFUNQZXWJJ-NWDGAFQWSA-N 1 2 235.375 2.519 20 0 BFADLO COC(=O)[C@@H]([NH2+]C(C)C)c1cc(C)cc(C)c1 ZINC000043394818 343469918 /nfs/dbraw/zinc/46/99/18/343469918.db2.gz CCHXZDFRMMTBAZ-ZDUSSCGKSA-N 1 2 235.327 2.516 20 0 BFADLO COC(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000046089696 343539219 /nfs/dbraw/zinc/53/92/19/343539219.db2.gz NAHRNXZXHNIVTB-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000046089696 343539221 /nfs/dbraw/zinc/53/92/21/343539221.db2.gz NAHRNXZXHNIVTB-UHFFFAOYSA-N 1 2 249.335 2.506 20 0 BFADLO Cc1nc(C[N@@H+](C)CC2CCC(C)CC2)no1 ZINC000125040175 343610190 /nfs/dbraw/zinc/61/01/90/343610190.db2.gz ASSZJINGHCQNOT-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)CC2CCC(C)CC2)no1 ZINC000125040175 343610192 /nfs/dbraw/zinc/61/01/92/343610192.db2.gz ASSZJINGHCQNOT-UHFFFAOYSA-N 1 2 237.347 2.636 20 0 BFADLO CC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000051626882 343627556 /nfs/dbraw/zinc/62/75/56/343627556.db2.gz RCFMXILAKISCQM-GFCCVEGCSA-N 1 2 233.340 2.779 20 0 BFADLO CC(C)c1nc(C[NH+]2CCSCC2)cs1 ZINC000047994333 343690649 /nfs/dbraw/zinc/69/06/49/343690649.db2.gz ZLAMYRNOJHSEGQ-UHFFFAOYSA-N 1 2 242.413 2.815 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(C)nc2)cs1 ZINC000058872115 343703040 /nfs/dbraw/zinc/70/30/40/343703040.db2.gz BJSAPTXEXXULII-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO C[N@H+](C/C=C\c1ccncc1)Cc1nccs1 ZINC000494949995 529820848 /nfs/dbraw/zinc/82/08/48/529820848.db2.gz FEXRXMDFWXSBSS-IHWYPQMZSA-N 1 2 245.351 2.683 20 0 BFADLO C[N@@H+](C/C=C\c1ccncc1)Cc1nccs1 ZINC000494949995 529820850 /nfs/dbraw/zinc/82/08/50/529820850.db2.gz FEXRXMDFWXSBSS-IHWYPQMZSA-N 1 2 245.351 2.683 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000625438469 343740160 /nfs/dbraw/zinc/74/01/60/343740160.db2.gz TWYIVTHHWFKVPK-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCc2nc[nH]c2C1 ZINC000625438469 343740161 /nfs/dbraw/zinc/74/01/61/343740161.db2.gz TWYIVTHHWFKVPK-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO Cc1cc(CNC(=O)[C@H](C)CC(C)C)cc(C)[nH+]1 ZINC000421574139 192364589 /nfs/dbraw/zinc/36/45/89/192364589.db2.gz DLTYXRVXEOGYBE-LLVKDONJSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cc(CNC(=O)[C@@H](C)CC(C)C)cc(C)[nH+]1 ZINC000421574140 192364500 /nfs/dbraw/zinc/36/45/00/192364500.db2.gz DLTYXRVXEOGYBE-NSHDSACASA-N 1 2 248.370 2.997 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1cscn1 ZINC000063591899 343752864 /nfs/dbraw/zinc/75/28/64/343752864.db2.gz SEUIDKLSGPBRBT-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cscn1 ZINC000063591899 343752865 /nfs/dbraw/zinc/75/28/65/343752865.db2.gz SEUIDKLSGPBRBT-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO CCc1nc(CNc2[nH+]cccc2OC)cs1 ZINC000328123093 537824030 /nfs/dbraw/zinc/82/40/30/537824030.db2.gz LSWVIWLPEWINEY-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)c1[nH]cc[nH+]1 ZINC000387659448 346995917 /nfs/dbraw/zinc/99/59/17/346995917.db2.gz HAEMAMSFBOGHPP-IJLUTSLNSA-N 1 2 249.358 2.659 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCC(F)(F)C1 ZINC000393786128 343928369 /nfs/dbraw/zinc/92/83/69/343928369.db2.gz YAPNJHITHGXNHS-MRVPVSSYSA-N 1 2 228.242 2.690 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000628117913 343967734 /nfs/dbraw/zinc/96/77/34/343967734.db2.gz ZQVOXXYVLDMFNF-ZDUSSCGKSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000628117913 343967735 /nfs/dbraw/zinc/96/77/35/343967735.db2.gz ZQVOXXYVLDMFNF-ZDUSSCGKSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccccc2C)n1 ZINC000628120100 343968441 /nfs/dbraw/zinc/96/84/41/343968441.db2.gz YBALHHBWGMHCKT-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2ccccc2C)n1 ZINC000628120100 343968444 /nfs/dbraw/zinc/96/84/44/343968444.db2.gz YBALHHBWGMHCKT-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[C@H]1CCCC[C@@H]1Nc1cc(CO)cc[nH+]1 ZINC000641252990 362332129 /nfs/dbraw/zinc/33/21/29/362332129.db2.gz BTFQDNALDDCLDB-JQWIXIFHSA-N 1 2 220.316 2.565 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3ccc(O)cc3C2)s1 ZINC000625725582 344057368 /nfs/dbraw/zinc/05/73/68/344057368.db2.gz BJNVWRBSMITINC-UHFFFAOYSA-N 1 2 246.335 2.673 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3ccc(O)cc3C2)s1 ZINC000625725582 344057369 /nfs/dbraw/zinc/05/73/69/344057369.db2.gz BJNVWRBSMITINC-UHFFFAOYSA-N 1 2 246.335 2.673 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1Cc2ccc(O)cc2C1 ZINC000625726741 344058042 /nfs/dbraw/zinc/05/80/42/344058042.db2.gz LAACMLPMRHYMRN-LLVKDONJSA-N 1 2 240.306 2.864 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1Cc2ccc(O)cc2C1 ZINC000625726741 344058043 /nfs/dbraw/zinc/05/80/43/344058043.db2.gz LAACMLPMRHYMRN-LLVKDONJSA-N 1 2 240.306 2.864 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C2)ccn1 ZINC000625728487 344060134 /nfs/dbraw/zinc/06/01/34/344060134.db2.gz VLZRAFIACMNMPX-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C2)ccn1 ZINC000625728487 344060135 /nfs/dbraw/zinc/06/01/35/344060135.db2.gz VLZRAFIACMNMPX-UHFFFAOYSA-N 1 2 240.306 2.611 20 0 BFADLO COC[C@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000130013253 344103800 /nfs/dbraw/zinc/10/38/00/344103800.db2.gz HXWBKXLXNHUDHK-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@H]1c1ccccn1 ZINC000641306268 362354589 /nfs/dbraw/zinc/35/45/89/362354589.db2.gz GZOWUVFVPIRVOD-AWEZNQCLSA-N 1 2 243.285 2.957 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(CNc2cc[nH+]cc2F)o1 ZINC000641302134 362353805 /nfs/dbraw/zinc/35/38/05/362353805.db2.gz YSPQGJGFXZSLDS-ONGXEEELSA-N 1 2 246.285 2.971 20 0 BFADLO Cc1[nH]c(CN(C)[C@@H](C)c2ccco2)[nH+]c1C ZINC000628132840 344169629 /nfs/dbraw/zinc/16/96/29/344169629.db2.gz PLIZELXKBAZKFS-NSHDSACASA-N 1 2 233.315 2.813 20 0 BFADLO CC(C)[C@@H]1CCCN1c1cc[nH+]cc1F ZINC000641309606 362360019 /nfs/dbraw/zinc/36/00/19/362360019.db2.gz LKAVMCFVFGUJLV-NSHDSACASA-N 1 2 208.280 2.846 20 0 BFADLO CC[C@@H](C)Cc1noc(Cc2c[nH+]ccc2C)n1 ZINC000632250273 344154419 /nfs/dbraw/zinc/15/44/19/344154419.db2.gz IHOKOPYANKXYFJ-SNVBAGLBSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@H]2c2ccco2)nc[nH+]1 ZINC000631420927 344220202 /nfs/dbraw/zinc/22/02/02/344220202.db2.gz JHBXAVFHGAEMQW-CYBMUJFWSA-N 1 2 243.310 2.966 20 0 BFADLO C[C@@H]1C[C@@H](Nc2[nH+]c3ccccc3n2C)[C@@H](C)O1 ZINC000384902835 344221589 /nfs/dbraw/zinc/22/15/89/344221589.db2.gz NQFXVWLLKNLSDI-CKYFFXLPSA-N 1 2 245.326 2.551 20 0 BFADLO Cc1cc(N[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000040727077 344246545 /nfs/dbraw/zinc/24/65/45/344246545.db2.gz FORLJIPMGBHXKS-MWLCHTKSSA-N 1 2 205.305 2.776 20 0 BFADLO CC1(C)CCCN(c2cc[nH+]cc2F)C1 ZINC000641372878 362381009 /nfs/dbraw/zinc/38/10/09/362381009.db2.gz JGNOMNQHSBHLEH-UHFFFAOYSA-N 1 2 208.280 2.847 20 0 BFADLO Cc1[nH]c2c([nH+]1)c(Br)ccc2C ZINC000220470303 344401335 /nfs/dbraw/zinc/40/13/35/344401335.db2.gz AMHCZNIXTDHTHZ-UHFFFAOYSA-N 1 2 225.089 2.942 20 0 BFADLO CSCC[C@@H](C)N(C)c1cc[nH+]cc1F ZINC000603304489 349909800 /nfs/dbraw/zinc/90/98/00/349909800.db2.gz UUBJDQLNFBXYLA-SECBINFHSA-N 1 2 228.336 2.799 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000577291173 344516980 /nfs/dbraw/zinc/51/69/80/344516980.db2.gz BXZFYNBEAHOWMP-QWHCGFSZSA-N 1 2 249.358 2.709 20 0 BFADLO C[C@@H](CC(=O)N1CCCCC[C@H]1C)n1cc[nH+]c1 ZINC000577518728 344534602 /nfs/dbraw/zinc/53/46/02/344534602.db2.gz JZRBVIKBTLGUKC-OLZOCXBDSA-N 1 2 249.358 2.625 20 0 BFADLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000259061067 344538037 /nfs/dbraw/zinc/53/80/37/344538037.db2.gz CQKZFKAOKAVHMR-LLVKDONJSA-N 1 2 241.718 2.506 20 0 BFADLO CC(C)(C)c1nc(NC[C@]2(C)CCCO2)cc[nH+]1 ZINC000152527268 344594701 /nfs/dbraw/zinc/59/47/01/344594701.db2.gz XVWZWCUNKKJZOJ-AWEZNQCLSA-N 1 2 249.358 2.755 20 0 BFADLO CC1(C)CCC[C@H]1Nc1cc(CO)cc[nH+]1 ZINC000641419975 362407647 /nfs/dbraw/zinc/40/76/47/362407647.db2.gz PUHBVMCNHLHYOK-LLVKDONJSA-N 1 2 220.316 2.565 20 0 BFADLO Cc1cnc([C@@H](C)Nc2cc[nH+]cc2F)s1 ZINC000641419907 362408295 /nfs/dbraw/zinc/40/82/95/362408295.db2.gz OUGRPEUNIBFPOW-MRVPVSSYSA-N 1 2 237.303 2.581 20 0 BFADLO CC(C)C(C)(C)CNc1cc(CO)cc[nH+]1 ZINC000641521024 362477793 /nfs/dbraw/zinc/47/77/93/362477793.db2.gz DBVPRJLUTICNPI-UHFFFAOYSA-N 1 2 222.332 2.668 20 0 BFADLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnsc1Cl ZINC000075022321 344762530 /nfs/dbraw/zinc/76/25/30/344762530.db2.gz QYJLTFYRGFKVOC-JGVFFNPUSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnsc1Cl ZINC000075022321 344762532 /nfs/dbraw/zinc/76/25/32/344762532.db2.gz QYJLTFYRGFKVOC-JGVFFNPUSA-N 1 2 245.779 2.812 20 0 BFADLO CCCN(Cc1[nH]c(C)c(C)[nH+]1)CC(F)(F)F ZINC000628145641 344820845 /nfs/dbraw/zinc/82/08/45/344820845.db2.gz RJRFDBPSKUKIKT-UHFFFAOYSA-N 1 2 249.280 2.801 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCO1 ZINC000153184092 344815013 /nfs/dbraw/zinc/81/50/13/344815013.db2.gz ACTFTHAMOCMEHV-VXGBXAGGSA-N 1 2 247.342 2.724 20 0 BFADLO CC(C)[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C(F)(F)F ZINC000390159068 259381395 /nfs/dbraw/zinc/38/13/95/259381395.db2.gz YOUAFDOTLDMLRU-AEJSXWLSSA-N 1 2 239.281 2.730 20 0 BFADLO CC(C)CC[C@@](C)(O)CNc1cccc[nH+]1 ZINC000077235291 344819777 /nfs/dbraw/zinc/81/97/77/344819777.db2.gz OQCKCJYOAAJSIQ-CYBMUJFWSA-N 1 2 222.332 2.681 20 0 BFADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)n1C ZINC000176186258 178751336 /nfs/dbraw/zinc/75/13/36/178751336.db2.gz LGLANSXCOYFIGJ-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1ncc(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000628153506 344843765 /nfs/dbraw/zinc/84/37/65/344843765.db2.gz SSKYJAIUGDNOEM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ncc(C[N@H+](C)Cc2ccoc2C)o1 ZINC000628153506 344843766 /nfs/dbraw/zinc/84/37/66/344843766.db2.gz SSKYJAIUGDNOEM-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1ccncc1 ZINC000078306357 344844066 /nfs/dbraw/zinc/84/40/66/344844066.db2.gz FQHQSMYXZNJXCT-GFCCVEGCSA-N 1 2 228.299 2.743 20 0 BFADLO CCc1nnc(SCCc2cccc(C)[nH+]2)o1 ZINC000641561270 362502190 /nfs/dbraw/zinc/50/21/90/362502190.db2.gz UDEVWUNXJRVJPA-UHFFFAOYSA-N 1 2 249.339 2.670 20 0 BFADLO COc1cccc(CSCc2cn(C)c[nH+]2)c1 ZINC000603321335 349922296 /nfs/dbraw/zinc/92/22/96/349922296.db2.gz WWMYXDMZUDGEKA-UHFFFAOYSA-N 1 2 248.351 2.862 20 0 BFADLO Fc1c[nH+]ccc1NC[C@H]1CCCCC1(F)F ZINC000641614703 362550808 /nfs/dbraw/zinc/55/08/08/362550808.db2.gz URTXWVWSLGSRLL-SECBINFHSA-N 1 2 244.260 2.880 20 0 BFADLO C[C@@]12CCN(c3cc[nH+]cc3F)C[C@@H]1C2(F)F ZINC000641605757 362542346 /nfs/dbraw/zinc/54/23/46/362542346.db2.gz LMVDYMOELHHTKF-WDEREUQCSA-N 1 2 242.244 2.702 20 0 BFADLO OCc1cc[nH+]c(N[C@H](C2CC2)C2CCC2)c1 ZINC000641627489 362560411 /nfs/dbraw/zinc/56/04/11/362560411.db2.gz XIWWOUARLAICDR-AWEZNQCLSA-N 1 2 232.327 2.565 20 0 BFADLO C[C@@H]1OCC[N@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000156185402 345132273 /nfs/dbraw/zinc/13/22/73/345132273.db2.gz RFPWGICQTCWPIA-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1OCC[N@@H+](Cc2cccc(Cl)c2)[C@H]1C ZINC000156185402 345132276 /nfs/dbraw/zinc/13/22/76/345132276.db2.gz RFPWGICQTCWPIA-QWRGUYRKSA-N 1 2 239.746 2.949 20 0 BFADLO CC[C@H](CSC)N(C)c1cc[nH+]cc1F ZINC000603327004 349923844 /nfs/dbraw/zinc/92/38/44/349923844.db2.gz ATZRNGWSAVUUCP-SECBINFHSA-N 1 2 228.336 2.799 20 0 BFADLO Cc1cc[nH+]c(N[C@@H]2CCSC2)c1Cl ZINC000306267320 345142196 /nfs/dbraw/zinc/14/21/96/345142196.db2.gz IETCZPPTHWFDSH-MRVPVSSYSA-N 1 2 228.748 2.961 20 0 BFADLO CC(C)(C)CSCc1ccc[nH+]c1N ZINC000603332108 349925843 /nfs/dbraw/zinc/92/58/43/349925843.db2.gz ZEUKOXRDHQBQSU-UHFFFAOYSA-N 1 2 210.346 2.943 20 0 BFADLO CC[C@@H](COc1cccc(-n2cc[nH+]c2)c1)OC ZINC000418882596 192088357 /nfs/dbraw/zinc/08/83/57/192088357.db2.gz KDWPNCILVMKRRO-ZDUSSCGKSA-N 1 2 246.310 2.676 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C)C2)[nH+]1 ZINC000080761778 345449410 /nfs/dbraw/zinc/44/94/10/345449410.db2.gz YWYFRETWHDROIC-VIFPVBQESA-N 1 2 230.315 2.503 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCC(C)C)[nH+]1 ZINC000080762114 345449474 /nfs/dbraw/zinc/44/94/74/345449474.db2.gz GEXIPBMGNNRPIC-UHFFFAOYSA-N 1 2 218.304 2.724 20 0 BFADLO CN(CC1CCC1)c1cc[nH+]c2ccncc21 ZINC000085686609 345529121 /nfs/dbraw/zinc/52/91/21/345529121.db2.gz FMQPKRPGHWDGCI-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO CC[C@](C)([NH2+]C[C@@H]1CCCOC1)C(F)(F)F ZINC000381365501 345552031 /nfs/dbraw/zinc/55/20/31/345552031.db2.gz GUIQQARSNHQJKP-UWVGGRQHSA-N 1 2 239.281 2.734 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000092486746 345625025 /nfs/dbraw/zinc/62/50/25/345625025.db2.gz UCMSHKNGFSCCMS-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000092486746 345625029 /nfs/dbraw/zinc/62/50/29/345625029.db2.gz UCMSHKNGFSCCMS-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO CCc1cc(NCc2ccc(F)c(C)c2)nc[nH+]1 ZINC000603370349 349934895 /nfs/dbraw/zinc/93/48/95/349934895.db2.gz SDVOZEJMXOHUJV-UHFFFAOYSA-N 1 2 245.301 2.521 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2cccn2C)s1 ZINC000093324492 345652590 /nfs/dbraw/zinc/65/25/90/345652590.db2.gz AHOFHWCWAFJNMQ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2cccn2C)s1 ZINC000093324492 345652593 /nfs/dbraw/zinc/65/25/93/345652593.db2.gz AHOFHWCWAFJNMQ-UHFFFAOYSA-N 1 2 249.383 2.676 20 0 BFADLO CCC(C)(C)CCNc1cc(CO)cc[nH+]1 ZINC000641681356 362603004 /nfs/dbraw/zinc/60/30/04/362603004.db2.gz FLBKLWCMCIWFDY-UHFFFAOYSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1scc(CNc2cc(CO)cc[nH+]2)c1C ZINC000641681402 362603388 /nfs/dbraw/zinc/60/33/88/362603388.db2.gz GTEJFVYLLBAAMS-UHFFFAOYSA-N 1 2 248.351 2.864 20 0 BFADLO COc1ccc(OCc2ccc(C)[nH+]c2C)cn1 ZINC000641732931 362653390 /nfs/dbraw/zinc/65/33/90/362653390.db2.gz JYARHAFFJWQNFC-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1ccsc1 ZINC000082761014 345726473 /nfs/dbraw/zinc/72/64/73/345726473.db2.gz UUVRQYZILSZKAN-NSHDSACASA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1ccsc1 ZINC000082761014 345726474 /nfs/dbraw/zinc/72/64/74/345726474.db2.gz UUVRQYZILSZKAN-NSHDSACASA-N 1 2 241.356 2.522 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2ccoc2)n1 ZINC000070621351 345791455 /nfs/dbraw/zinc/79/14/55/345791455.db2.gz ZYVNVFSRFIRVBG-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)o1 ZINC000070621425 345791590 /nfs/dbraw/zinc/79/15/90/345791590.db2.gz ILHZHTPCYAQHTN-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO C[C@@H](NC(=O)c1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000140771983 345822242 /nfs/dbraw/zinc/82/22/42/345822242.db2.gz BRNZUJXHBVLQFW-MRVPVSSYSA-N 1 2 249.701 2.554 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@H](CC)OC ZINC000418982964 192091116 /nfs/dbraw/zinc/09/11/16/192091116.db2.gz CSVMHQQSJRGBMG-NSHDSACASA-N 1 2 223.316 2.756 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H](CC)OC ZINC000418982961 192091233 /nfs/dbraw/zinc/09/12/33/192091233.db2.gz CSVMHQQSJRGBMG-LLVKDONJSA-N 1 2 223.316 2.756 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)nc1 ZINC000400840533 345827135 /nfs/dbraw/zinc/82/71/35/345827135.db2.gz WKHNBUFTYDBOPF-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCCC[C@@H](COC)Nc1cc(CC)[nH+]cn1 ZINC000605572077 345968115 /nfs/dbraw/zinc/96/81/15/345968115.db2.gz PXVXIBHVTGDGBD-LBPRGKRZSA-N 1 2 237.347 2.656 20 0 BFADLO COCCCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000381465891 345969641 /nfs/dbraw/zinc/96/96/41/345969641.db2.gz MPFCTICNNWJDMJ-VIFPVBQESA-N 1 2 241.297 2.980 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1cccs1 ZINC000074859413 345981930 /nfs/dbraw/zinc/98/19/30/345981930.db2.gz NVKJCTNODQQMCC-UHFFFAOYSA-N 1 2 243.291 2.648 20 0 BFADLO Cc1nc(N[C@@H](CO)CC2CCCCC2)cc[nH+]1 ZINC000419016374 192094421 /nfs/dbraw/zinc/09/44/21/192094421.db2.gz PFDQLJZIGPMMJU-CYBMUJFWSA-N 1 2 249.358 2.528 20 0 BFADLO CCc1c[nH]c(CC(=O)Nc2cscc2C)[nH+]1 ZINC000635722063 346030739 /nfs/dbraw/zinc/03/07/39/346030739.db2.gz JMMUZMWWWQLCGT-UHFFFAOYSA-N 1 2 249.339 2.523 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1cn(C)nc1C ZINC000418994551 192095882 /nfs/dbraw/zinc/09/58/82/192095882.db2.gz OVXPOYNAGIBLSC-UHFFFAOYSA-N 1 2 245.326 2.573 20 0 BFADLO FCC(CF)[NH2+]Cc1coc2ccccc12 ZINC000449380806 201893575 /nfs/dbraw/zinc/89/35/75/201893575.db2.gz OWBNCCWFSQVZEZ-UHFFFAOYSA-N 1 2 225.238 2.830 20 0 BFADLO CCCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635948631 346120631 /nfs/dbraw/zinc/12/06/31/346120631.db2.gz XFLSGYSOIUFBPC-QJPTWQEYSA-N 1 2 249.358 2.550 20 0 BFADLO CCCC[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635948631 346120632 /nfs/dbraw/zinc/12/06/32/346120632.db2.gz XFLSGYSOIUFBPC-QJPTWQEYSA-N 1 2 249.358 2.550 20 0 BFADLO CCC1(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635978347 346131231 /nfs/dbraw/zinc/13/12/31/346131231.db2.gz NILZYOBAXPATFN-GFCCVEGCSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2cnc(C)o2)s1 ZINC000628227256 346174355 /nfs/dbraw/zinc/17/43/55/346174355.db2.gz ZKQAIYZODDIBKD-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1c[nH]c(CN2C[C@@H](C)Oc3ccccc32)[nH+]1 ZINC000628239282 346199621 /nfs/dbraw/zinc/19/96/21/346199621.db2.gz KIFFZWBKJMQUDS-LLVKDONJSA-N 1 2 243.310 2.506 20 0 BFADLO Cc1c[nH]c(CN2CCc3ccc(C)cc32)[nH+]1 ZINC000628235866 346189554 /nfs/dbraw/zinc/18/95/54/346189554.db2.gz FGRQOFTVGKJZJU-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO Cc1c[nH]c(CN(C)c2cc(C)cc(C)c2)[nH+]1 ZINC000628235754 346189807 /nfs/dbraw/zinc/18/98/07/346189807.db2.gz APXWFXPHRSMMKW-UHFFFAOYSA-N 1 2 229.327 2.971 20 0 BFADLO c1cc2cccc(CNc3c[nH]c[nH+]3)c2[nH]1 ZINC000381517517 346232983 /nfs/dbraw/zinc/23/29/83/346232983.db2.gz SRXCOSRKGXDIIX-UHFFFAOYSA-N 1 2 212.256 2.503 20 0 BFADLO C/C=C\C[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000626162338 346273342 /nfs/dbraw/zinc/27/33/42/346273342.db2.gz SJXDVISKOXSEHG-ZMWSMAPVSA-N 1 2 203.276 2.930 20 0 BFADLO C/C=C\C[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000626162338 346273344 /nfs/dbraw/zinc/27/33/44/346273344.db2.gz SJXDVISKOXSEHG-ZMWSMAPVSA-N 1 2 203.276 2.930 20 0 BFADLO Cc1ncc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)o1 ZINC000628283290 346295056 /nfs/dbraw/zinc/29/50/56/346295056.db2.gz NVCOJRUUXMMTMF-LKFCYVNXSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1cccc(C(C)(C)[NH2+]Cc2csnn2)c1 ZINC000182419258 179027932 /nfs/dbraw/zinc/02/79/32/179027932.db2.gz SBWNGNZTMKSOSI-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO Cc1nnc(C[NH2+]C(C)(C)c2cccc(C)c2)o1 ZINC000179592449 179028021 /nfs/dbraw/zinc/02/80/21/179028021.db2.gz GWKFXORGVXPXJP-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO Cc1cccc(C)c1NCc1[nH+]ccn1C ZINC000049800050 179044347 /nfs/dbraw/zinc/04/43/47/179044347.db2.gz OOBULHDTHDKOKS-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1cccc(CCCNc2cccc[nH+]2)n1 ZINC000286669686 179056409 /nfs/dbraw/zinc/05/64/09/179056409.db2.gz VXZXIUCCZAFSTN-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2cccc(C)n2)n1 ZINC000336705864 179069618 /nfs/dbraw/zinc/06/96/18/179069618.db2.gz OAMRDJARHICHDQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2cccc(C)n2)n1 ZINC000336705864 179069619 /nfs/dbraw/zinc/06/96/19/179069619.db2.gz OAMRDJARHICHDQ-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@H](C)[C@H](F)C2)sc1C ZINC000679217961 488318116 /nfs/dbraw/zinc/31/81/16/488318116.db2.gz BTACFKXWEAPAEE-GZMMTYOYSA-N 1 2 242.363 2.940 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)sc1C ZINC000679217961 488318117 /nfs/dbraw/zinc/31/81/17/488318117.db2.gz BTACFKXWEAPAEE-GZMMTYOYSA-N 1 2 242.363 2.940 20 0 BFADLO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)C(F)F ZINC000641790791 362729169 /nfs/dbraw/zinc/72/91/69/362729169.db2.gz WUUOYMOMGVBIKZ-LDYMZIIASA-N 1 2 241.281 2.926 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2ncccc21)C(F)F ZINC000641791023 362730096 /nfs/dbraw/zinc/73/00/96/362730096.db2.gz BIJBFJZLQPVXDU-KWQFWETISA-N 1 2 226.270 2.702 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2c1CCC2)C(F)F ZINC000641793120 362730641 /nfs/dbraw/zinc/73/06/41/362730641.db2.gz DXSCAOCEIYOASO-VIFPVBQESA-N 1 2 225.282 2.919 20 0 BFADLO COc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1O ZINC000641791496 362731389 /nfs/dbraw/zinc/73/13/89/362731389.db2.gz JIRDMOUWGPTRLT-YUMQZZPRSA-N 1 2 245.269 2.705 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000641791325 362731978 /nfs/dbraw/zinc/73/19/78/362731978.db2.gz GVHGQAHRTWHNLT-WDSKDSINSA-N 1 2 220.288 2.756 20 0 BFADLO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C(F)F ZINC000641791837 362732893 /nfs/dbraw/zinc/73/28/93/362732893.db2.gz NWOHGEKTMLEUMU-QPUJVOFHSA-N 1 2 241.281 2.926 20 0 BFADLO COc1cc(C[NH2+][C@H](C)C(F)F)ccc1C ZINC000641793577 362736221 /nfs/dbraw/zinc/73/62/21/362736221.db2.gz KHJSDJUCGDOMKS-SECBINFHSA-N 1 2 229.270 2.747 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccc(C)cc2)no1 ZINC000182322793 347092350 /nfs/dbraw/zinc/09/23/50/347092350.db2.gz GRRKNSVQVNCTRC-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO Cn1cc[nH+]c1CSc1ccccc1 ZINC000064652405 346507002 /nfs/dbraw/zinc/50/70/02/346507002.db2.gz BUHNSCXBCGZDHQ-UHFFFAOYSA-N 1 2 204.298 2.712 20 0 BFADLO C1=CC[C@H](Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301804248 187371482 /nfs/dbraw/zinc/37/14/82/187371482.db2.gz BDALGPIZMVMPLI-LBPRGKRZSA-N 1 2 244.342 2.819 20 0 BFADLO C1=CC[C@H](Nc2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000301804248 187371484 /nfs/dbraw/zinc/37/14/84/187371484.db2.gz BDALGPIZMVMPLI-LBPRGKRZSA-N 1 2 244.342 2.819 20 0 BFADLO CCO[C@H](C)c1nccn1Cc1cc[nH+]c(C)c1 ZINC000621995108 370650593 /nfs/dbraw/zinc/65/05/93/370650593.db2.gz UUWZLAVLNWLPKX-GFCCVEGCSA-N 1 2 245.326 2.732 20 0 BFADLO CC[C@@H](Nc1ccc(C)nc1)c1[nH+]ccn1C ZINC000182910246 347111843 /nfs/dbraw/zinc/11/18/43/347111843.db2.gz PAVSDRBHIYOSBP-GFCCVEGCSA-N 1 2 230.315 2.687 20 0 BFADLO CCc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)[nH]1 ZINC000185169637 347192656 /nfs/dbraw/zinc/19/26/56/347192656.db2.gz CCNGKFQXHSVYMK-NSHDSACASA-N 1 2 244.342 2.560 20 0 BFADLO CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)[nH]1 ZINC000185169637 347192658 /nfs/dbraw/zinc/19/26/58/347192658.db2.gz CCNGKFQXHSVYMK-NSHDSACASA-N 1 2 244.342 2.560 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)CC)c1cnn(C)c1 ZINC000624148261 347266157 /nfs/dbraw/zinc/26/61/57/347266157.db2.gz ZKSQUBQKLMMEEX-JTQLQIEISA-N 1 2 231.290 2.506 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccon1 ZINC000349239836 136743411 /nfs/dbraw/zinc/74/34/11/136743411.db2.gz LJTQOVCKUGCRTH-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2c1cccc2C ZINC000105496615 179215560 /nfs/dbraw/zinc/21/55/60/179215560.db2.gz POZPSIGGJAQEON-HNNXBMFYSA-N 1 2 241.338 2.804 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1cocn1)CC2 ZINC000277402625 179217375 /nfs/dbraw/zinc/21/73/75/179217375.db2.gz HVIQIGXONQMUQF-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1cocn1)CC2 ZINC000277402625 179217378 /nfs/dbraw/zinc/21/73/78/179217378.db2.gz HVIQIGXONQMUQF-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1OC[C@@H](Nc1cccc[nH+]1)C2 ZINC000377989153 179220666 /nfs/dbraw/zinc/22/06/66/179220666.db2.gz OIKFNZXSEZPURB-ZDUSSCGKSA-N 1 2 240.306 2.806 20 0 BFADLO C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616924477 347455001 /nfs/dbraw/zinc/45/50/01/347455001.db2.gz LELBASTXJNPHOA-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616924477 347455003 /nfs/dbraw/zinc/45/50/03/347455003.db2.gz LELBASTXJNPHOA-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccoc2C)o1 ZINC000525782194 259395895 /nfs/dbraw/zinc/39/58/95/259395895.db2.gz NMULAJGENTWOLD-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000525782194 259395897 /nfs/dbraw/zinc/39/58/97/259395897.db2.gz NMULAJGENTWOLD-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO Cc1ccc(C[S@@](=O)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000357827118 187377980 /nfs/dbraw/zinc/37/79/80/187377980.db2.gz GRKQSHXVVGBDGJ-MLGOLLRUSA-N 1 2 239.384 2.992 20 0 BFADLO COc1ccc2[nH+]c(N[C@H]3CC3(C)C)ccc2c1 ZINC000618437550 347659408 /nfs/dbraw/zinc/65/94/08/347659408.db2.gz ASJUDTDTDOKXRN-ZDUSSCGKSA-N 1 2 242.322 2.876 20 0 BFADLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000591806217 347704546 /nfs/dbraw/zinc/70/45/46/347704546.db2.gz JBLUIAXFVDRYND-JTQLQIEISA-N 1 2 247.346 2.600 20 0 BFADLO CCOCCSCCc1cccc(C)[nH+]1 ZINC000592347682 347769960 /nfs/dbraw/zinc/76/99/60/347769960.db2.gz SMWKNWOXIZHHNN-UHFFFAOYSA-N 1 2 225.357 2.702 20 0 BFADLO Cc1cccc(CCSCc2ccon2)[nH+]1 ZINC000592452210 347781110 /nfs/dbraw/zinc/78/11/10/347781110.db2.gz HHQNRUKTYMVFJB-UHFFFAOYSA-N 1 2 234.324 2.854 20 0 BFADLO C[C@H]([NH2+]Cc1ncccn1)c1cccc(Cl)c1 ZINC000054459356 347990457 /nfs/dbraw/zinc/99/04/57/347990457.db2.gz VTYYCAHBCXEQPV-JTQLQIEISA-N 1 2 247.729 2.981 20 0 BFADLO Cc1cc(N(C)Cc2ccc(F)cc2C)nc[nH+]1 ZINC000362950679 187383691 /nfs/dbraw/zinc/38/36/91/187383691.db2.gz GSASANIQVCNYFO-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275641981 179339573 /nfs/dbraw/zinc/33/95/73/179339573.db2.gz NECNUXRYLWELHF-RYUDHWBXSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000265135220 179334609 /nfs/dbraw/zinc/33/46/09/179334609.db2.gz OJOSMCHPPWAZES-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000265135220 179334611 /nfs/dbraw/zinc/33/46/11/179334611.db2.gz OJOSMCHPPWAZES-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000419233514 192111896 /nfs/dbraw/zinc/11/18/96/192111896.db2.gz WFACRFNFRWIYMI-KWCYVHTRSA-N 1 2 247.338 2.536 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1cccc(C(C)C)c1 ZINC000595307430 348223019 /nfs/dbraw/zinc/22/30/19/348223019.db2.gz VQIKJZBXTOBDOO-UHFFFAOYSA-N 1 2 249.354 2.851 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377525859 187389051 /nfs/dbraw/zinc/38/90/51/187389051.db2.gz SOEWFIILABQQFK-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000377525859 187389052 /nfs/dbraw/zinc/38/90/52/187389052.db2.gz SOEWFIILABQQFK-LBPRGKRZSA-N 1 2 247.342 2.569 20 0 BFADLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nnsc1Cl ZINC000307389243 323179795 /nfs/dbraw/zinc/17/97/95/323179795.db2.gz QBBXNWAJEGZKRX-VXNVDRBHSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnsc1Cl ZINC000307389243 323179796 /nfs/dbraw/zinc/17/97/96/323179796.db2.gz QBBXNWAJEGZKRX-VXNVDRBHSA-N 1 2 245.779 2.812 20 0 BFADLO FC(F)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000192344223 187391267 /nfs/dbraw/zinc/39/12/67/187391267.db2.gz RJNLWFWLGPNFTN-UHFFFAOYSA-N 1 2 238.237 2.902 20 0 BFADLO CC1C[NH+](Cc2ccsc2Br)C1 ZINC000307461624 323182208 /nfs/dbraw/zinc/18/22/08/323182208.db2.gz JQDLWPSIDQIELF-UHFFFAOYSA-N 1 2 246.173 2.962 20 0 BFADLO Cc1cccnc1[C@@H]([NH2+]Cc1cocn1)C(C)C ZINC000192314078 179398177 /nfs/dbraw/zinc/39/81/77/179398177.db2.gz KVKUUVZUMBMTAH-ZDUSSCGKSA-N 1 2 245.326 2.865 20 0 BFADLO CC[C@H](CSCc1c[nH+]ccc1OC)OC ZINC000419486625 192139501 /nfs/dbraw/zinc/13/95/01/192139501.db2.gz HUGKYDSDWZQZTK-LLVKDONJSA-N 1 2 241.356 2.748 20 0 BFADLO Cc1cc[nH+]c(NCC2=CCCOC2)c1Cl ZINC000309840993 179441462 /nfs/dbraw/zinc/44/14/62/179441462.db2.gz DCUWEUQXTWVCKV-UHFFFAOYSA-N 1 2 238.718 2.802 20 0 BFADLO Cc1ccc(CSCC[C@@H](C)O)c(C)[nH+]1 ZINC000596368777 348512289 /nfs/dbraw/zinc/51/22/89/348512289.db2.gz XUPISFPVEMJQHP-SNVBAGLBSA-N 1 2 225.357 2.703 20 0 BFADLO c1cn(CCSCCC2CCC2)c[nH+]1 ZINC000596421678 348526552 /nfs/dbraw/zinc/52/65/52/348526552.db2.gz CZJYSXJPODUDJT-UHFFFAOYSA-N 1 2 210.346 2.807 20 0 BFADLO Cc1cc(C[NH2+]Cc2csc(C)c2)no1 ZINC000308815254 348708913 /nfs/dbraw/zinc/70/89/13/348708913.db2.gz DWQFQPBGVDTUNG-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO C[C@@H](CCc1ccsc1)Nc1c[nH]c[nH+]1 ZINC000308842342 348772546 /nfs/dbraw/zinc/77/25/46/348772546.db2.gz KPZLFQSFIVPMKW-VIFPVBQESA-N 1 2 221.329 2.904 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2cncs2)s1 ZINC000125282638 179653402 /nfs/dbraw/zinc/65/34/02/179653402.db2.gz QKENORYJKPLMNC-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@H]1CC([NH2+]CC(F)(F)F)C[C@H](C)C1 ZINC000082829320 348814485 /nfs/dbraw/zinc/81/44/85/348814485.db2.gz GUXRAAOVMAYJKD-HTQZYQBOSA-N 1 2 209.255 2.963 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CSC[C@@H]2C)c1 ZINC000294915710 179683731 /nfs/dbraw/zinc/68/37/31/179683731.db2.gz ALFFEDNKMAQZGG-ONGXEEELSA-N 1 2 208.330 2.553 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC34CC4)cc2[nH+]1 ZINC000421742209 192378555 /nfs/dbraw/zinc/37/85/55/192378555.db2.gz REIHWCJGOUGLCT-JTQLQIEISA-N 1 2 241.294 2.610 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ncoc1C1CC1 ZINC000293224271 179711868 /nfs/dbraw/zinc/71/18/68/179711868.db2.gz BTSTUCDLBOPEPG-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccon1)c1nc(C)cs1 ZINC000184366583 349048802 /nfs/dbraw/zinc/04/88/02/349048802.db2.gz XXMZNXRBWCERJK-SNVBAGLBSA-N 1 2 237.328 2.680 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)ccn1 ZINC000623510755 362936537 /nfs/dbraw/zinc/93/65/37/362936537.db2.gz KDQXNUFZAXDOOY-UHFFFAOYSA-N 1 2 214.259 2.523 20 0 BFADLO Cc1c[nH+]ccc1CCSC1CCOCC1 ZINC000421835766 192391494 /nfs/dbraw/zinc/39/14/94/192391494.db2.gz NCDUIOWBCRNPDW-UHFFFAOYSA-N 1 2 237.368 2.845 20 0 BFADLO Cc1csc(C[NH2+]Cc2ccc(C)o2)n1 ZINC000037988448 179776595 /nfs/dbraw/zinc/77/65/95/179776595.db2.gz ZCRIMCSSXOTSJR-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO CC(C)=CC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000599652939 349234711 /nfs/dbraw/zinc/23/47/11/349234711.db2.gz RHJHTSINHMGKAF-UHFFFAOYSA-N 1 2 227.348 2.663 20 0 BFADLO CCOC(=O)C[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000599641523 349238446 /nfs/dbraw/zinc/23/84/46/349238446.db2.gz SKFFTOUYJSXKEY-CQSZACIVSA-N 1 2 249.354 2.907 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000252741343 349206135 /nfs/dbraw/zinc/20/61/35/349206135.db2.gz KYZWAJLCWYLCLV-ZSBIGDGJSA-N 1 2 220.316 2.758 20 0 BFADLO CC[C@H](F)COc1ccccc1-n1cc[nH+]c1 ZINC000583478925 349305060 /nfs/dbraw/zinc/30/50/60/349305060.db2.gz IFXXVDKXJRRPBL-NSHDSACASA-N 1 2 234.274 2.999 20 0 BFADLO CC[C@H](C)N(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422215190 192421229 /nfs/dbraw/zinc/42/12/29/192421229.db2.gz TWVYGFFXNSZWEY-LBPRGKRZSA-N 1 2 249.358 2.638 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000177909035 535101738 /nfs/dbraw/zinc/10/17/38/535101738.db2.gz CXCSVNAAXQDUCO-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H]2C)no1 ZINC000177909035 535101742 /nfs/dbraw/zinc/10/17/42/535101742.db2.gz CXCSVNAAXQDUCO-MNOVXSKESA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000409444821 191011338 /nfs/dbraw/zinc/01/13/38/191011338.db2.gz HKHYJXJLVODSTF-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1nc(C[N@H+]2C[C@@H](C)C[C@H]2C)no1 ZINC000409444821 191011340 /nfs/dbraw/zinc/01/13/40/191011340.db2.gz HKHYJXJLVODSTF-WDEREUQCSA-N 1 2 237.347 2.643 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H]2C(C)C)[nH+]1 ZINC000334666279 180003964 /nfs/dbraw/zinc/00/39/64/180003964.db2.gz IREBCUJMYJANMA-NSHDSACASA-N 1 2 230.315 2.501 20 0 BFADLO Cc1nc([C@@H](C)[NH2+]Cc2nccs2)cs1 ZINC000041012602 180036889 /nfs/dbraw/zinc/03/68/89/180036889.db2.gz ZNORKAXDKJZVAL-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccs2)no1 ZINC000289469206 180052022 /nfs/dbraw/zinc/05/20/22/180052022.db2.gz HDIRNBGNZSHJQY-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO CCc1ccc(CC[N@H+](C)CC(F)F)cc1 ZINC000604386783 350122776 /nfs/dbraw/zinc/12/27/76/350122776.db2.gz WHTVIFAAYUZSNX-UHFFFAOYSA-N 1 2 227.298 2.988 20 0 BFADLO CCc1ccc(CC[N@@H+](C)CC(F)F)cc1 ZINC000604386783 350122779 /nfs/dbraw/zinc/12/27/79/350122779.db2.gz WHTVIFAAYUZSNX-UHFFFAOYSA-N 1 2 227.298 2.988 20 0 BFADLO Cc1[nH+]c2cc(NC(=O)C3(C)CC3)ccc2n1C ZINC000120853727 180081125 /nfs/dbraw/zinc/08/11/25/180081125.db2.gz RTOCUMAVOHEVKQ-UHFFFAOYSA-N 1 2 243.310 2.620 20 0 BFADLO Cc1nc(N2CCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000180446740 180068285 /nfs/dbraw/zinc/06/82/85/180068285.db2.gz XZDGICHUQQWHIU-SNVBAGLBSA-N 1 2 231.343 2.653 20 0 BFADLO Cc1nc(N[C@H]2[C@@H]3CCC[C@@H]32)c2c([nH+]1)CCCC2 ZINC000362843195 180069891 /nfs/dbraw/zinc/06/98/91/180069891.db2.gz ONYZQSKAKFKQHV-YABSGUDNSA-N 1 2 243.354 2.874 20 0 BFADLO Cc1nc(N[C@H]2CC2(C)C)c2c([nH+]1)CCCC2 ZINC000359720268 180070422 /nfs/dbraw/zinc/07/04/22/180070422.db2.gz BDZYKKCAHYIMNR-LBPRGKRZSA-N 1 2 231.343 2.874 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC[C@@H](C(C)C)C2)c[nH+]1 ZINC000339224285 180134288 /nfs/dbraw/zinc/13/42/88/180134288.db2.gz RIKIOSUUWXNJQE-NEPJUHHUSA-N 1 2 249.358 2.663 20 0 BFADLO Fc1cccc(C[N@@H+]2CCCOCC2)c1Cl ZINC000334342702 538066617 /nfs/dbraw/zinc/06/66/17/538066617.db2.gz QEQKEHZPUUVXMR-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1cccc(C[N@H+]2CCCOCC2)c1Cl ZINC000334342702 538066622 /nfs/dbraw/zinc/06/66/22/538066622.db2.gz QEQKEHZPUUVXMR-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CO[C@H](C)C1 ZINC000402363891 350217757 /nfs/dbraw/zinc/21/77/57/350217757.db2.gz DUYMOFKKXCAXPZ-YPMHNXCESA-N 1 2 242.322 2.554 20 0 BFADLO Cc1nc(N2CC[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000266192742 180195055 /nfs/dbraw/zinc/19/50/55/180195055.db2.gz CCONBXQWPJWKRC-AWEZNQCLSA-N 1 2 239.322 2.779 20 0 BFADLO Cc1nc(N2CC[C@]3(CC[C@H](C)C3)C2)cc[nH+]1 ZINC000359071464 180195233 /nfs/dbraw/zinc/19/52/33/180195233.db2.gz VZMIXYXEBQFXOW-FZMZJTMJSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000267572752 180195368 /nfs/dbraw/zinc/19/53/68/180195368.db2.gz XNGMNGRORBNDFL-RAIGVLPGSA-N 1 2 231.343 2.942 20 0 BFADLO Cc1nc(NCC2=CCCCC2)cc[nH+]1 ZINC000294879444 180197362 /nfs/dbraw/zinc/19/73/62/180197362.db2.gz FTPMZLRKQSNVBW-UHFFFAOYSA-N 1 2 203.289 2.697 20 0 BFADLO Cc1nc(NC2(C)Cc3ccccc3C2)cc[nH+]1 ZINC000121522594 180197406 /nfs/dbraw/zinc/19/74/06/180197406.db2.gz MLGGGCMSCDTXAK-UHFFFAOYSA-N 1 2 239.322 2.754 20 0 BFADLO Cc1nc(NCCO[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000266361024 180198073 /nfs/dbraw/zinc/19/80/73/180198073.db2.gz KPNYDVBXWDUZAQ-WCQYABFASA-N 1 2 249.358 2.792 20 0 BFADLO Cc1nc(NCC(C)(C)c2ccccn2)cc[nH+]1 ZINC000294976196 180199235 /nfs/dbraw/zinc/19/92/35/180199235.db2.gz ORYOGQVVWCMUJV-UHFFFAOYSA-N 1 2 242.326 2.570 20 0 BFADLO Cc1nc(NCc2ccc(F)cc2)cc[nH+]1 ZINC000054935721 180200154 /nfs/dbraw/zinc/20/01/54/180200154.db2.gz ALJHINPZSASXKB-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO Cc1nc(N[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054935723 180203259 /nfs/dbraw/zinc/20/32/59/180203259.db2.gz OIOCBUAKVPITOP-GXSJLCMTSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)cc[nH+]1 ZINC000274193175 180205064 /nfs/dbraw/zinc/20/50/64/180205064.db2.gz FLKAQCNHUQRCLY-VXGBXAGGSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1nc(N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc[nH+]1 ZINC000155303367 180206975 /nfs/dbraw/zinc/20/69/75/180206975.db2.gz MIPXFZSJVAOZNJ-SNPRPXQTSA-N 1 2 237.306 2.535 20 0 BFADLO Cc1nc(N[C@H]2c3ccccc3O[C@@H]2C)cc[nH+]1 ZINC000289074430 180207625 /nfs/dbraw/zinc/20/76/25/180207625.db2.gz NRKKSZBJFNSPIR-YMTOWFKASA-N 1 2 241.294 2.719 20 0 BFADLO Cc1nc(N[C@H]2c3ccccc3O[C@H]2C)cc[nH+]1 ZINC000289074421 180207716 /nfs/dbraw/zinc/20/77/16/180207716.db2.gz NRKKSZBJFNSPIR-LKFCYVNXSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1nc(N[C@H]2CCc3ccccc3C2)cc[nH+]1 ZINC000054936501 180207901 /nfs/dbraw/zinc/20/79/01/180207901.db2.gz YNWCMAJKOLSAPW-AWEZNQCLSA-N 1 2 239.322 2.754 20 0 BFADLO Cc1cccc(C)c1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000354573776 180181470 /nfs/dbraw/zinc/18/14/70/180181470.db2.gz IYJWHCTWQLJKQG-GFCCVEGCSA-N 1 2 241.338 2.997 20 0 BFADLO Cc1ccccc1C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000360527315 180182003 /nfs/dbraw/zinc/18/20/03/180182003.db2.gz BUCJBCVYYQTTIP-GFCCVEGCSA-N 1 2 241.338 2.558 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@H](C)C2CC2)no1 ZINC000290203768 180222834 /nfs/dbraw/zinc/22/28/34/180222834.db2.gz XRKCSMNBTUQGIV-SECBINFHSA-N 1 2 243.310 2.877 20 0 BFADLO Cc1[nH+]cccc1NCc1ccc2c(c1)CCO2 ZINC000091495986 180225726 /nfs/dbraw/zinc/22/57/26/180225726.db2.gz ZPVAUTZLCCGPKM-UHFFFAOYSA-N 1 2 240.306 2.937 20 0 BFADLO Cc1[nH+]cccc1NCc1cnc([C@@H](C)O)s1 ZINC000289970613 180225931 /nfs/dbraw/zinc/22/59/31/180225931.db2.gz BQFYBWNCPAAIRZ-SECBINFHSA-N 1 2 249.339 2.512 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@H]1CCCOC1 ZINC000309731734 180226276 /nfs/dbraw/zinc/22/62/76/180226276.db2.gz BHXSUGYXYGGUMW-JQWIXIFHSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CSC[C@@H]1C ZINC000295599792 180228571 /nfs/dbraw/zinc/22/85/71/180228571.db2.gz FPUZTSZAPQPTNI-GZMMTYOYSA-N 1 2 208.330 2.553 20 0 BFADLO Cc1cc(N[C@@H](C)CCO)c2cccc(F)c2[nH+]1 ZINC000126854838 191084597 /nfs/dbraw/zinc/08/45/97/191084597.db2.gz YOMZREWBHPOYRN-VIFPVBQESA-N 1 2 248.301 2.865 20 0 BFADLO COc1ccccc1[C@@H]1CC[N@H+](CC(F)F)C1 ZINC000606452860 350339939 /nfs/dbraw/zinc/33/99/39/350339939.db2.gz DDMIBCVDSOOWHW-SNVBAGLBSA-N 1 2 241.281 2.750 20 0 BFADLO COc1ccccc1[C@@H]1CC[N@@H+](CC(F)F)C1 ZINC000606452860 350339943 /nfs/dbraw/zinc/33/99/43/350339943.db2.gz DDMIBCVDSOOWHW-SNVBAGLBSA-N 1 2 241.281 2.750 20 0 BFADLO COc1ccccc1[C@H]1CC[N@H+](CC(F)F)C1 ZINC000606452859 350340130 /nfs/dbraw/zinc/34/01/30/350340130.db2.gz DDMIBCVDSOOWHW-JTQLQIEISA-N 1 2 241.281 2.750 20 0 BFADLO COc1ccccc1[C@H]1CC[N@@H+](CC(F)F)C1 ZINC000606452859 350340134 /nfs/dbraw/zinc/34/01/34/350340134.db2.gz DDMIBCVDSOOWHW-JTQLQIEISA-N 1 2 241.281 2.750 20 0 BFADLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336331331 180315860 /nfs/dbraw/zinc/31/58/60/180315860.db2.gz VLRQHMWTWHQCGU-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000336331331 180315861 /nfs/dbraw/zinc/31/58/61/180315861.db2.gz VLRQHMWTWHQCGU-SNVBAGLBSA-N 1 2 248.355 2.512 20 0 BFADLO CC[C@H](C)N(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606580993 350373973 /nfs/dbraw/zinc/37/39/73/350373973.db2.gz MIIYIDQZTINKMF-JTQLQIEISA-N 1 2 246.314 2.597 20 0 BFADLO CCc1cc(N[C@@H](C)c2ccccn2)nc[nH+]1 ZINC000040765109 350394579 /nfs/dbraw/zinc/39/45/79/350394579.db2.gz CAKCFVHEJZRMCJ-JTQLQIEISA-N 1 2 228.299 2.607 20 0 BFADLO CCc1cc(NCCc2ccc(F)cc2)nc[nH+]1 ZINC000040765017 350394673 /nfs/dbraw/zinc/39/46/73/350394673.db2.gz WIUGPOQPTXTWOR-UHFFFAOYSA-N 1 2 245.301 2.833 20 0 BFADLO CCc1cc(NCCc2cccc(F)c2)nc[nH+]1 ZINC000040765130 350395132 /nfs/dbraw/zinc/39/51/32/350395132.db2.gz BTDXYLILOXEHMG-UHFFFAOYSA-N 1 2 245.301 2.833 20 0 BFADLO CC[N@H+](Cc1noc(C(C)C)n1)C1CCC1 ZINC000336697150 350452481 /nfs/dbraw/zinc/45/24/81/350452481.db2.gz HWQIRGGFSVNNJF-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)C)n1)C1CCC1 ZINC000336697150 350452485 /nfs/dbraw/zinc/45/24/85/350452485.db2.gz HWQIRGGFSVNNJF-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)C(F)(F)F ZINC000336772847 350508116 /nfs/dbraw/zinc/50/81/16/350508116.db2.gz VXHKVJZMMJVUHU-PSASIEDQSA-N 1 2 239.281 2.732 20 0 BFADLO O=C(CCC1CCCCC1)Nc1cc[nH+]cc1O ZINC000336897115 350531208 /nfs/dbraw/zinc/53/12/08/350531208.db2.gz OTBKTLRFAUKXBS-UHFFFAOYSA-N 1 2 248.326 2.508 20 0 BFADLO Cc1cscc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000306963568 490651090 /nfs/dbraw/zinc/65/10/90/490651090.db2.gz HVWNMDMNFNHCHU-QMMMGPOBSA-N 1 2 207.302 2.953 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccnn1C(C)C ZINC000279536136 180541090 /nfs/dbraw/zinc/54/10/90/180541090.db2.gz CIAODXYHODXDRB-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccnn1C(C)C ZINC000279536136 180541092 /nfs/dbraw/zinc/54/10/92/180541092.db2.gz CIAODXYHODXDRB-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO N#Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000398000248 350998680 /nfs/dbraw/zinc/99/86/80/350998680.db2.gz NAMKASXXFYPHFN-GFCCVEGCSA-N 1 2 236.265 2.836 20 0 BFADLO COC(=O)C[N@H+](CC=C(C)C)Cc1ccccc1 ZINC000052830284 351073536 /nfs/dbraw/zinc/07/35/36/351073536.db2.gz AOZDRSVPMFVZSK-UHFFFAOYSA-N 1 2 247.338 2.628 20 0 BFADLO COC(=O)C[N@@H+](CC=C(C)C)Cc1ccccc1 ZINC000052830284 351073539 /nfs/dbraw/zinc/07/35/39/351073539.db2.gz AOZDRSVPMFVZSK-UHFFFAOYSA-N 1 2 247.338 2.628 20 0 BFADLO CCCC1CCC(C[NH2+]Cc2c[nH]nn2)CC1 ZINC000623577735 363010418 /nfs/dbraw/zinc/01/04/18/363010418.db2.gz CACHUMIWZQGKMK-UHFFFAOYSA-N 1 2 236.363 2.501 20 0 BFADLO CCCC1CCC(C[NH2+]Cc2cn[nH]n2)CC1 ZINC000623577735 363010422 /nfs/dbraw/zinc/01/04/22/363010422.db2.gz CACHUMIWZQGKMK-UHFFFAOYSA-N 1 2 236.363 2.501 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)o1 ZINC000628318716 351093830 /nfs/dbraw/zinc/09/38/30/351093830.db2.gz PYMVZZBTZQABDQ-KGLIPLIRSA-N 1 2 246.285 2.710 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC(F)(F)F ZINC000265089199 351263093 /nfs/dbraw/zinc/26/30/93/351263093.db2.gz ATVXTXWLGKIOMY-UHFFFAOYSA-N 1 2 232.205 2.535 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1C=CCC1 ZINC000265048230 351261786 /nfs/dbraw/zinc/26/17/86/351261786.db2.gz XZWOHYCBADMMCM-LLVKDONJSA-N 1 2 230.311 2.939 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000072578302 351280741 /nfs/dbraw/zinc/28/07/41/351280741.db2.gz CPPUZWDDLLALBA-ZDUSSCGKSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000072578302 351280744 /nfs/dbraw/zinc/28/07/44/351280744.db2.gz CPPUZWDDLLALBA-ZDUSSCGKSA-N 1 2 245.326 2.902 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)C1CC1 ZINC000267016944 351297327 /nfs/dbraw/zinc/29/73/27/351297327.db2.gz BQQRMBBSKOTYHC-SECBINFHSA-N 1 2 218.300 2.629 20 0 BFADLO CCCCOCCNc1cc[nH+]c2ccncc12 ZINC000268008469 351326094 /nfs/dbraw/zinc/32/60/94/351326094.db2.gz VYRYGVOHEUSJRB-UHFFFAOYSA-N 1 2 245.326 2.858 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CC[C@H](CC)O1 ZINC000268130085 351328333 /nfs/dbraw/zinc/32/83/33/351328333.db2.gz MCYSGNZGCVXGEA-WCQYABFASA-N 1 2 248.326 2.540 20 0 BFADLO Cc1ncc(CNc2c[nH+]cc3c2CCCC3)o1 ZINC000628336379 351278932 /nfs/dbraw/zinc/27/89/32/351278932.db2.gz GOZPVZUUNKZBQW-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CCCCc1cc(N[C@@H](COC)C2CC2)nc[nH+]1 ZINC000631177974 351360350 /nfs/dbraw/zinc/36/03/50/351360350.db2.gz OBERPUCZFYYCAU-ZDUSSCGKSA-N 1 2 249.358 2.656 20 0 BFADLO Clc1ccccc1CCC[NH+]1CCOCC1 ZINC000165975944 180594194 /nfs/dbraw/zinc/59/41/94/180594194.db2.gz KBQGJYAWMMQTPU-UHFFFAOYSA-N 1 2 239.746 2.605 20 0 BFADLO c1cc(C[NH2+][C@@H]2CCCc3scnc32)co1 ZINC000623871283 351603561 /nfs/dbraw/zinc/60/35/61/351603561.db2.gz ZXLPHLLRTGTDBG-SNVBAGLBSA-N 1 2 234.324 2.903 20 0 BFADLO CC[C@H](CC(=O)Nc1ccc(N)[nH+]c1)C(C)(C)C ZINC000637830314 351678959 /nfs/dbraw/zinc/67/89/59/351678959.db2.gz UPOLDAZMVVTVKB-SNVBAGLBSA-N 1 2 249.358 2.895 20 0 BFADLO CSc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000036994469 358465740 /nfs/dbraw/zinc/46/57/40/358465740.db2.gz BSWFSGSSTRNFIB-SNVBAGLBSA-N 1 2 247.367 2.982 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830671 351680166 /nfs/dbraw/zinc/68/01/66/351680166.db2.gz ZPVPBMUNYAGUMD-CMPLNLGQSA-N 1 2 247.342 2.649 20 0 BFADLO c1cc(C[N@@H+]2CCc3sccc3C2)sn1 ZINC000637886747 351756726 /nfs/dbraw/zinc/75/67/26/351756726.db2.gz NUIQIRDCPRQINR-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc(C[N@H+]2CCc3sccc3C2)sn1 ZINC000637886747 351756729 /nfs/dbraw/zinc/75/67/29/351756729.db2.gz NUIQIRDCPRQINR-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO CC[C@H](C)[C@@H](C[N@H+](C)Cc1cscn1)OC ZINC000637974169 351849091 /nfs/dbraw/zinc/84/90/91/351849091.db2.gz RCUZXVIEVCBQJR-CMPLNLGQSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1cscn1)OC ZINC000637974169 351849095 /nfs/dbraw/zinc/84/90/95/351849095.db2.gz RCUZXVIEVCBQJR-CMPLNLGQSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@H](C)[C@H](C[N@H+](C)Cc1cscn1)OC ZINC000637974170 351849570 /nfs/dbraw/zinc/84/95/70/351849570.db2.gz RCUZXVIEVCBQJR-JQWIXIFHSA-N 1 2 242.388 2.636 20 0 BFADLO CC[C@H](C)[C@H](C[N@@H+](C)Cc1cscn1)OC ZINC000637974170 351849571 /nfs/dbraw/zinc/84/95/71/351849571.db2.gz RCUZXVIEVCBQJR-JQWIXIFHSA-N 1 2 242.388 2.636 20 0 BFADLO CCC[C@@H](C[N@H+](CCC)CC(F)F)OC ZINC000637992798 351870454 /nfs/dbraw/zinc/87/04/54/351870454.db2.gz IKRXDHJGYGAAEY-JTQLQIEISA-N 1 2 223.307 2.779 20 0 BFADLO CCC[C@@H](C[N@@H+](CCC)CC(F)F)OC ZINC000637992798 351870456 /nfs/dbraw/zinc/87/04/56/351870456.db2.gz IKRXDHJGYGAAEY-JTQLQIEISA-N 1 2 223.307 2.779 20 0 BFADLO CC(C)[C@H](NC(=O)[C@H]1CC=CCC1)c1[nH]cc[nH+]1 ZINC000276657118 187513860 /nfs/dbraw/zinc/51/38/60/187513860.db2.gz 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DNSVRJWTWAPKNE-MNOVXSKESA-N 1 2 243.310 2.709 20 0 BFADLO CCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC1 ZINC000410877254 191150348 /nfs/dbraw/zinc/15/03/48/191150348.db2.gz PEXOROYVKPVANH-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO CCCC1(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000410878701 191150408 /nfs/dbraw/zinc/15/04/08/191150408.db2.gz ZJHXFSFADAYKPY-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCC[C@H]1CCO1 ZINC000638229130 352085273 /nfs/dbraw/zinc/08/52/73/352085273.db2.gz CIYVNTXJWYQJSM-LBPRGKRZSA-N 1 2 235.327 2.985 20 0 BFADLO CC(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000110111321 535171238 /nfs/dbraw/zinc/17/12/38/535171238.db2.gz NHUWWHXVMZSSOJ-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CC(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000110111321 535171242 /nfs/dbraw/zinc/17/12/42/535171242.db2.gz NHUWWHXVMZSSOJ-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO Cc1cccc(C[NH2+]Cc2cc(C3CC3)no2)n1 ZINC000638373158 352183552 /nfs/dbraw/zinc/18/35/52/352183552.db2.gz MSAYYHWPCAPSMO-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2ccns2)C1 ZINC000630074280 363158399 /nfs/dbraw/zinc/15/83/99/363158399.db2.gz HTIXQFIDAZEACT-UHFFFAOYSA-N 1 2 232.299 2.620 20 0 BFADLO CCc1nc(C)c(C[NH2+][C@H](C)c2cc(C)on2)o1 ZINC000291893736 352293098 /nfs/dbraw/zinc/29/30/98/352293098.db2.gz KXTWIXGWQBZICH-SECBINFHSA-N 1 2 249.314 2.693 20 0 BFADLO CCc1nc(C)c(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000293823632 352361597 /nfs/dbraw/zinc/36/15/97/352361597.db2.gz SDRZGHXWKHJQIA-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCCC12CC2)c1[nH]cc[nH+]1 ZINC000529053239 352372062 /nfs/dbraw/zinc/37/20/62/352372062.db2.gz RZADDHCJJUTBMK-MNOVXSKESA-N 1 2 247.342 2.557 20 0 BFADLO CCC(CC)([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000411541967 191192997 /nfs/dbraw/zinc/19/29/97/191192997.db2.gz PIFIHVACSTVCBA-UHFFFAOYSA-N 1 2 249.354 2.816 20 0 BFADLO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556938 191193445 /nfs/dbraw/zinc/19/34/45/191193445.db2.gz JQMRXJXABHZVJM-DDTOSNHZSA-N 1 2 247.313 2.593 20 0 BFADLO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556938 191193447 /nfs/dbraw/zinc/19/34/47/191193447.db2.gz JQMRXJXABHZVJM-DDTOSNHZSA-N 1 2 247.313 2.593 20 0 BFADLO Cn1c[nH+]c(CSCc2ccccc2)c1 ZINC000045256644 352593992 /nfs/dbraw/zinc/59/39/92/352593992.db2.gz NEEKFVUQPCVCPS-UHFFFAOYSA-N 1 2 218.325 2.854 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@H+](CCOC(C)C)C2 ZINC000411929341 191228608 /nfs/dbraw/zinc/22/86/08/191228608.db2.gz XLXASYHOJINHDH-UHFFFAOYSA-N 1 2 247.338 2.630 20 0 BFADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCOC(C)C)C2 ZINC000411929341 191228610 /nfs/dbraw/zinc/22/86/10/191228610.db2.gz XLXASYHOJINHDH-UHFFFAOYSA-N 1 2 247.338 2.630 20 0 BFADLO CO[C@H](CNc1ccc(SC)c[nH+]1)C1CC1 ZINC000638760273 352698100 /nfs/dbraw/zinc/69/81/00/352698100.db2.gz RAPMNWMNJFUNPC-LLVKDONJSA-N 1 2 238.356 2.640 20 0 BFADLO CC(C)c1ncc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000335406819 187836137 /nfs/dbraw/zinc/83/61/37/187836137.db2.gz DPHWBBAMMXFWMJ-SECBINFHSA-N 1 2 228.336 2.810 20 0 BFADLO CC(C)c1ncc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000335406819 187836138 /nfs/dbraw/zinc/83/61/38/187836138.db2.gz DPHWBBAMMXFWMJ-SECBINFHSA-N 1 2 228.336 2.810 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+]1CCC=C(F)C1 ZINC000334219022 352820576 /nfs/dbraw/zinc/82/05/76/352820576.db2.gz UGFDYZJSTCZCNG-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+]1CCC=C(F)C1 ZINC000334219022 352820579 /nfs/dbraw/zinc/82/05/79/352820579.db2.gz UGFDYZJSTCZCNG-JTQLQIEISA-N 1 2 206.264 2.702 20 0 BFADLO COc1cccc([C@@H](C)[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334220410 352822764 /nfs/dbraw/zinc/82/27/64/352822764.db2.gz VLWPABWVRJGSEN-NWDGAFQWSA-N 1 2 247.338 2.667 20 0 BFADLO COc1cccc([C@@H](C)[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000334220410 352822766 /nfs/dbraw/zinc/82/27/66/352822766.db2.gz VLWPABWVRJGSEN-NWDGAFQWSA-N 1 2 247.338 2.667 20 0 BFADLO COc1cccc([C@@H](C)[N@@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334220412 352822954 /nfs/dbraw/zinc/82/29/54/352822954.db2.gz VLWPABWVRJGSEN-VXGBXAGGSA-N 1 2 247.338 2.667 20 0 BFADLO COc1cccc([C@@H](C)[N@H+]2CCC(=O)[C@H](C)C2)c1 ZINC000334220412 352822957 /nfs/dbraw/zinc/82/29/57/352822957.db2.gz VLWPABWVRJGSEN-VXGBXAGGSA-N 1 2 247.338 2.667 20 0 BFADLO CO[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000334269205 352905456 /nfs/dbraw/zinc/90/54/56/352905456.db2.gz QLEWURKNYPVEHY-GFCCVEGCSA-N 1 2 246.285 2.599 20 0 BFADLO CC(C)(C)[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000638850503 353029516 /nfs/dbraw/zinc/02/95/16/353029516.db2.gz PDYMTCFEXJZGJM-LLVKDONJSA-N 1 2 236.363 2.814 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(C)cc2)o1 ZINC000231788065 538107528 /nfs/dbraw/zinc/10/75/28/538107528.db2.gz FWBUCDRPAPAHHQ-UHFFFAOYSA-N 1 2 216.284 2.581 20 0 BFADLO Cc1nc(N[C@@H]2C[C@]2(C)c2ccccc2)cc[nH+]1 ZINC000608089019 353108954 /nfs/dbraw/zinc/10/89/54/353108954.db2.gz AJASJDBOEWQPRR-UKRRQHHQSA-N 1 2 239.322 2.927 20 0 BFADLO Cc1nc(N[C@H]2C[C@]2(C)c2ccccc2)cc[nH+]1 ZINC000608089017 353109143 /nfs/dbraw/zinc/10/91/43/353109143.db2.gz AJASJDBOEWQPRR-DZGCQCFKSA-N 1 2 239.322 2.927 20 0 BFADLO CC(C)[C@H]1CC[N@@H+]1Cc1c(F)ccc(O)c1F ZINC000351972815 535202058 /nfs/dbraw/zinc/20/20/58/535202058.db2.gz VGKQNHXGZPMDCZ-LLVKDONJSA-N 1 2 241.281 2.901 20 0 BFADLO CC(C)[C@H]1CC[N@H+]1Cc1c(F)ccc(O)c1F ZINC000351972815 535202063 /nfs/dbraw/zinc/20/20/63/535202063.db2.gz VGKQNHXGZPMDCZ-LLVKDONJSA-N 1 2 241.281 2.901 20 0 BFADLO CC(C)[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CCO1 ZINC000353164223 188060923 /nfs/dbraw/zinc/06/09/23/188060923.db2.gz PQFSPLROLFRTBN-NSHDSACASA-N 1 2 243.734 2.790 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CCO1 ZINC000353164223 188060924 /nfs/dbraw/zinc/06/09/24/188060924.db2.gz PQFSPLROLFRTBN-NSHDSACASA-N 1 2 243.734 2.790 20 0 BFADLO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H]1C(F)F ZINC000353192778 188061005 /nfs/dbraw/zinc/06/10/05/188061005.db2.gz LOXRYHZVCUJABB-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H]1C(F)F ZINC000353192778 188061007 /nfs/dbraw/zinc/06/10/07/188061007.db2.gz LOXRYHZVCUJABB-MNOVXSKESA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354538789 188062879 /nfs/dbraw/zinc/06/28/79/188062879.db2.gz KSCFKARCHNQBSE-ZDUSSCGKSA-N 1 2 248.301 2.803 20 0 BFADLO Cc1ccc(C[S@](=O)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000357827117 188066785 /nfs/dbraw/zinc/06/67/85/188066785.db2.gz GRKQSHXVVGBDGJ-LRDDRELGSA-N 1 2 239.384 2.992 20 0 BFADLO Cc1nc(N(C)[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000360528098 188068876 /nfs/dbraw/zinc/06/88/76/188068876.db2.gz FHEKEEZEFSGRJX-PWSUYJOCSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N(C)[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000360535259 188069093 /nfs/dbraw/zinc/06/90/93/188069093.db2.gz OIVJVUOBUDFCHA-JQWIXIFHSA-N 1 2 219.332 2.800 20 0 BFADLO C=Cc1ccc(CCNc2cc(C)[nH+]cn2)cc1 ZINC000359981146 188069668 /nfs/dbraw/zinc/06/96/68/188069668.db2.gz LOCMKVMFTGXILE-UHFFFAOYSA-N 1 2 239.322 2.505 20 0 BFADLO CC(C)[N@H+](Cc1cccs1)Cc1ncccn1 ZINC000361689666 188072087 /nfs/dbraw/zinc/07/20/87/188072087.db2.gz PFNDCFHTADNRAR-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1cccs1)Cc1ncccn1 ZINC000361689666 188072089 /nfs/dbraw/zinc/07/20/89/188072089.db2.gz PFNDCFHTADNRAR-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC1(C)CCC[C@H](CC(=O)NCc2c[nH+]c[nH]2)C1 ZINC000330439153 353172471 /nfs/dbraw/zinc/17/24/71/353172471.db2.gz CPOXDYAZSKPJIG-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO CC1(C)CCC[C@H](CC(=O)NCc2c[nH]c[nH+]2)C1 ZINC000330439153 353172475 /nfs/dbraw/zinc/17/24/75/353172475.db2.gz CPOXDYAZSKPJIG-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO CCc1cc(N[C@@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000383466349 353162405 /nfs/dbraw/zinc/16/24/05/353162405.db2.gz JACHPPJUXJNZJD-JTQLQIEISA-N 1 2 243.310 2.918 20 0 BFADLO Cc1cc(N[C@@H](C)C2CC2)nc(C2CC2)[nH+]1 ZINC000265386054 188088419 /nfs/dbraw/zinc/08/84/19/188088419.db2.gz SGJBCJHCFMJMFU-VIFPVBQESA-N 1 2 217.316 2.873 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000038090760 188117500 /nfs/dbraw/zinc/11/75/00/188117500.db2.gz MJWIFHACESKORB-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CCOCCC1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000134019486 188156097 /nfs/dbraw/zinc/15/60/97/188156097.db2.gz NJXVYXJXPNWQCV-UHFFFAOYSA-N 1 2 249.358 2.794 20 0 BFADLO Cc1ccc(NC(=O)NCC(C)(C)C)c(C)[nH+]1 ZINC000176722357 188164324 /nfs/dbraw/zinc/16/43/24/188164324.db2.gz SKVDCTBKCFTAHN-UHFFFAOYSA-N 1 2 235.331 2.866 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000177477055 188165187 /nfs/dbraw/zinc/16/51/87/188165187.db2.gz CZVYDZHBPJKJDT-JHJVBQTASA-N 1 2 249.354 2.720 20 0 BFADLO C[C@H]1CSC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000309824833 188169110 /nfs/dbraw/zinc/16/91/10/188169110.db2.gz XDEBOIHVTHMCPR-WPRPVWTQSA-N 1 2 235.356 2.517 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2cocn2)cc1C ZINC000191938952 188174433 /nfs/dbraw/zinc/17/44/33/188174433.db2.gz KYFUSBJTUBYJHQ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2cocn2)cc1C ZINC000191938952 188174435 /nfs/dbraw/zinc/17/44/35/188174435.db2.gz KYFUSBJTUBYJHQ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)(O)COc1ccc([NH2+]CC2CC2)cc1 ZINC000269472610 188197785 /nfs/dbraw/zinc/19/77/85/188197785.db2.gz PEAWRIDEIALEGJ-UHFFFAOYSA-N 1 2 235.327 2.658 20 0 BFADLO CC(C)[N@H+](Cc1cc[nH]n1)Cc1ccccc1F ZINC000271095869 188199342 /nfs/dbraw/zinc/19/93/42/188199342.db2.gz YUMFFIOXZHUVBT-UHFFFAOYSA-N 1 2 247.317 2.959 20 0 BFADLO CC(C)[N@@H+](Cc1cc[nH]n1)Cc1ccccc1F ZINC000271095869 188199344 /nfs/dbraw/zinc/19/93/44/188199344.db2.gz YUMFFIOXZHUVBT-UHFFFAOYSA-N 1 2 247.317 2.959 20 0 BFADLO CC(=O)c1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000295406647 188214030 /nfs/dbraw/zinc/21/40/30/188214030.db2.gz CVGAQPPNEFWLCR-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CC(=O)c1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000295406647 188214031 /nfs/dbraw/zinc/21/40/31/188214031.db2.gz CVGAQPPNEFWLCR-UHFFFAOYSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000341305180 188217681 /nfs/dbraw/zinc/21/76/81/188217681.db2.gz FWFBZKNVPABIEI-YGRLFVJLSA-N 1 2 243.310 2.709 20 0 BFADLO c1cc(N2CC[C@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000336634326 188232298 /nfs/dbraw/zinc/23/22/98/188232298.db2.gz LZIICUKPXCMUHJ-PWSUYJOCSA-N 1 2 229.327 2.733 20 0 BFADLO COc1ccc(N[C@@H]2CC[C@H](C)C2)[nH+]c1 ZINC000225894704 538114538 /nfs/dbraw/zinc/11/45/38/538114538.db2.gz UZULCRXBSRLHRM-VHSXEESVSA-N 1 2 206.289 2.691 20 0 BFADLO CC(C)(C)[C@@H]([NH2+]CC1CC1)C(F)(F)F ZINC000308492817 353357437 /nfs/dbraw/zinc/35/74/37/353357437.db2.gz CGGIRANEGGLJGD-MRVPVSSYSA-N 1 2 209.255 2.963 20 0 BFADLO FC(F)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000147279160 538115742 /nfs/dbraw/zinc/11/57/42/538115742.db2.gz JLRFOFCAEFTSEM-GFCCVEGCSA-N 1 2 211.255 2.992 20 0 BFADLO Fc1ccc(Cl)cc1Cn1cc[nH+]c1 ZINC000230400914 353493095 /nfs/dbraw/zinc/49/30/95/353493095.db2.gz HVOIVULAHIQCRQ-UHFFFAOYSA-N 1 2 210.639 2.724 20 0 BFADLO CC1(Nc2cc(N)cc(Cl)[nH+]2)CCC1 ZINC000232817596 353579408 /nfs/dbraw/zinc/57/94/08/353579408.db2.gz OFDMVAUKICBKGL-UHFFFAOYSA-N 1 2 211.696 2.672 20 0 BFADLO CCC(C)(CC)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366814592 353594307 /nfs/dbraw/zinc/59/43/07/353594307.db2.gz BNHCCEJYPSDIKR-SNVBAGLBSA-N 1 2 249.358 2.525 20 0 BFADLO CCC(C)(CC)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366814592 353594310 /nfs/dbraw/zinc/59/43/10/353594310.db2.gz BNHCCEJYPSDIKR-SNVBAGLBSA-N 1 2 249.358 2.525 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H]1CCCC1(F)F ZINC000309223298 491053241 /nfs/dbraw/zinc/05/32/41/491053241.db2.gz VNULXTJEGQBAEN-SNVBAGLBSA-N 1 2 215.243 2.865 20 0 BFADLO Cn1cc[nH+]c1[C@@H](NC(C)(C)C(F)F)C1CC1 ZINC000639118154 353750424 /nfs/dbraw/zinc/75/04/24/353750424.db2.gz ATWLMYMNDNEBAZ-VIFPVBQESA-N 1 2 243.301 2.505 20 0 BFADLO Fc1ccccc1OCCNc1cccc[nH+]1 ZINC000338940790 181015034 /nfs/dbraw/zinc/01/50/34/181015034.db2.gz HMFFVHIHFUNRKS-UHFFFAOYSA-N 1 2 232.258 2.712 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343430320 353883213 /nfs/dbraw/zinc/88/32/13/353883213.db2.gz UKSDHYMDRLYINY-NWDGAFQWSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N2C[C@@H](C)CC(C)(C)C2)nc[nH+]1 ZINC000343435808 353886017 /nfs/dbraw/zinc/88/60/17/353886017.db2.gz KUNAJVUWGMNSLG-JTQLQIEISA-N 1 2 219.332 2.657 20 0 BFADLO CO[C@H](C[NH2+]C1(C(F)F)CC1)C1CCCCC1 ZINC000639139556 353856119 /nfs/dbraw/zinc/85/61/19/353856119.db2.gz LWYSAXLYBHTMHB-LLVKDONJSA-N 1 2 247.329 2.969 20 0 BFADLO Cc1cc([NH2+]C[C@H](O)C(C)(C)C)cc(C)c1O ZINC000577948669 366127972 /nfs/dbraw/zinc/12/79/72/366127972.db2.gz SEAGJPNAXSHNOL-LBPRGKRZSA-N 1 2 237.343 2.828 20 0 BFADLO Cc1ccc(NC(=O)[C@]2(C)CCCCO2)c(C)[nH+]1 ZINC000334540902 353974860 /nfs/dbraw/zinc/97/48/60/353974860.db2.gz NGPUNINKACGFFI-AWEZNQCLSA-N 1 2 248.326 2.596 20 0 BFADLO Cc1ccc(N[C@H]2CCCc3nn(C)cc32)c[nH+]1 ZINC000334548912 353988298 /nfs/dbraw/zinc/98/82/98/353988298.db2.gz YXTFLQSCALLSGL-ZDUSSCGKSA-N 1 2 242.326 2.613 20 0 BFADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC(F)F ZINC000639162409 353954097 /nfs/dbraw/zinc/95/40/97/353954097.db2.gz OKINSSLCNOQWPT-SKDRFNHKSA-N 1 2 229.270 2.617 20 0 BFADLO c1ccc(NCC2Cc3ccccc3C2)[nH+]c1 ZINC000343712078 353956329 /nfs/dbraw/zinc/95/63/29/353956329.db2.gz MUNGGOCSKCZBBG-UHFFFAOYSA-N 1 2 224.307 2.909 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N[C@H]2CC[C@@H]2C)nc[nH+]1 ZINC000343813284 354011973 /nfs/dbraw/zinc/01/19/73/354011973.db2.gz UJIRHHPRFCEUAT-USZNOCQGSA-N 1 2 246.358 2.897 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1cc(N[C@H]2CC[C@@H]2C)[nH+]cn1 ZINC000343813284 354011976 /nfs/dbraw/zinc/01/19/76/354011976.db2.gz UJIRHHPRFCEUAT-USZNOCQGSA-N 1 2 246.358 2.897 20 0 BFADLO Cc1nc(NC[C@@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000230431416 363311328 /nfs/dbraw/zinc/31/13/28/363311328.db2.gz WAFBPTPTCFXOLR-GXSJLCMTSA-N 1 2 205.305 2.633 20 0 BFADLO CC1CCC(C[N@@H+]2CCOCC(F)(F)C2)CC1 ZINC000344068849 354131719 /nfs/dbraw/zinc/13/17/19/354131719.db2.gz KMVJAOKSVJCXQN-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO CC1CCC(C[N@H+]2CCOCC(F)(F)C2)CC1 ZINC000344068849 354131724 /nfs/dbraw/zinc/13/17/24/354131724.db2.gz KMVJAOKSVJCXQN-UHFFFAOYSA-N 1 2 247.329 2.780 20 0 BFADLO Cc1nc(NC[C@H]2CCC[C@H]2C)cc[nH+]1 ZINC000230691468 363319543 /nfs/dbraw/zinc/31/95/43/363319543.db2.gz MWTFQDPXNNNIML-MWLCHTKSSA-N 1 2 205.305 2.633 20 0 BFADLO C[C@H]1C[N@H+](Cc2cscn2)CCC1(F)F ZINC000334594573 354226316 /nfs/dbraw/zinc/22/63/16/354226316.db2.gz TXLARBLWCSRZRF-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cscn2)CCC1(F)F ZINC000334594573 354226320 /nfs/dbraw/zinc/22/63/20/354226320.db2.gz TXLARBLWCSRZRF-QMMMGPOBSA-N 1 2 232.299 2.620 20 0 BFADLO Clc1ccc(C[NH2+]Cc2ccon2)s1 ZINC000086452722 491061851 /nfs/dbraw/zinc/06/18/51/491061851.db2.gz QOEILESBYFXCMI-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO FC(F)(F)[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000639187383 354381219 /nfs/dbraw/zinc/38/12/19/354381219.db2.gz MGUYSJIPCJOMME-APHKKCJPSA-N 1 2 233.277 2.963 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2ccccc2Cl)CCO1 ZINC000334642179 354398723 /nfs/dbraw/zinc/39/87/23/354398723.db2.gz CLXSLWDEZRRLKO-LLVKDONJSA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2ccccc2Cl)CCO1 ZINC000334642179 354398725 /nfs/dbraw/zinc/39/87/25/354398725.db2.gz CLXSLWDEZRRLKO-LLVKDONJSA-N 1 2 243.709 2.510 20 0 BFADLO C[C@@]1(F)CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334643588 354400788 /nfs/dbraw/zinc/40/07/88/354400788.db2.gz GGDDDNYSHNGLFF-CQSZACIVSA-N 1 2 249.333 2.678 20 0 BFADLO C[C@@]1(F)CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000334643588 354400790 /nfs/dbraw/zinc/40/07/90/354400790.db2.gz GGDDDNYSHNGLFF-CQSZACIVSA-N 1 2 249.333 2.678 20 0 BFADLO CCC(C)(C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334668173 354407938 /nfs/dbraw/zinc/40/79/38/354407938.db2.gz HGMGJFHMMPLXMT-UHFFFAOYSA-N 1 2 235.331 2.594 20 0 BFADLO C[C@H](c1csnn1)[NH+]1CCC(C(F)F)CC1 ZINC000334676167 354419774 /nfs/dbraw/zinc/41/97/74/354419774.db2.gz NKFXPTKVFWTYOP-SSDOTTSWSA-N 1 2 247.314 2.576 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000179150504 366211324 /nfs/dbraw/zinc/21/13/24/366211324.db2.gz YVWFZLPDTWLAEG-CYBMUJFWSA-N 1 2 237.318 2.827 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000179150504 366211328 /nfs/dbraw/zinc/21/13/28/366211328.db2.gz YVWFZLPDTWLAEG-CYBMUJFWSA-N 1 2 237.318 2.827 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000334663040 354463267 /nfs/dbraw/zinc/46/32/67/354463267.db2.gz MCRJRAWPKARGPS-NXEZZACHSA-N 1 2 217.316 2.650 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)CC2CCCC2)c2[nH+]ccn21 ZINC000334742780 354546137 /nfs/dbraw/zinc/54/61/37/354546137.db2.gz HHJXSLDTSSTMSL-ZYHUDNBSSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H]2C2CC2)c(C)[nH+]1 ZINC000334695503 354487152 /nfs/dbraw/zinc/48/71/52/354487152.db2.gz AUZXJTPPAAOUON-ZDUSSCGKSA-N 1 2 245.326 2.715 20 0 BFADLO CCC1(C)CC[NH+]([C@H](C)c2noc(C)n2)CC1 ZINC000334755597 354577847 /nfs/dbraw/zinc/57/78/47/354577847.db2.gz FTHHVVCBHMTGKG-SNVBAGLBSA-N 1 2 237.347 2.951 20 0 BFADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(C(F)F)no1 ZINC000335090870 354626753 /nfs/dbraw/zinc/62/67/53/354626753.db2.gz JHJAPVCQZRHNMG-YUMQZZPRSA-N 1 2 245.273 2.770 20 0 BFADLO CC(C)n1cncc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000335101611 354711729 /nfs/dbraw/zinc/71/17/29/354711729.db2.gz WCFCAQKHGKVOCV-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1cncc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000335101611 354711733 /nfs/dbraw/zinc/71/17/33/354711733.db2.gz WCFCAQKHGKVOCV-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CCC[C@](C)(F)C1 ZINC000335101611 354711736 /nfs/dbraw/zinc/71/17/36/354711736.db2.gz WCFCAQKHGKVOCV-ZDUSSCGKSA-N 1 2 239.338 2.788 20 0 BFADLO O=C(CCc1[nH]cc[nH+]1)Nc1cccc(Cl)c1 ZINC000345630026 354718699 /nfs/dbraw/zinc/71/86/99/354718699.db2.gz KTEYLQMFPYXXDZ-UHFFFAOYSA-N 1 2 249.701 2.634 20 0 BFADLO CC[C@H]1CCCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000053602213 363417362 /nfs/dbraw/zinc/41/73/62/363417362.db2.gz OKGVWTKTAJPUCA-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO CC[C@H]1CCCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000053602213 363417366 /nfs/dbraw/zinc/41/73/66/363417366.db2.gz OKGVWTKTAJPUCA-NSHDSACASA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@@H](C)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000053608951 363421328 /nfs/dbraw/zinc/42/13/28/363421328.db2.gz PMPKXFCRIZEGLT-SNVBAGLBSA-N 1 2 225.336 2.813 20 0 BFADLO CCC[C@@H](C)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000053608951 363421333 /nfs/dbraw/zinc/42/13/33/363421333.db2.gz PMPKXFCRIZEGLT-SNVBAGLBSA-N 1 2 225.336 2.813 20 0 BFADLO CCCc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1 ZINC000642341816 363446447 /nfs/dbraw/zinc/44/64/47/363446447.db2.gz UVUSTQDUDBSGJQ-UHFFFAOYSA-N 1 2 243.354 2.960 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)CCC2CC2)cc[nH+]1 ZINC000346379668 354905038 /nfs/dbraw/zinc/90/50/38/354905038.db2.gz IMWLTRSUNGFWQR-JTQLQIEISA-N 1 2 247.342 2.512 20 0 BFADLO Cc1cc(N2CCC[C@@H]2c2cccnc2)nc[nH+]1 ZINC000346621149 354995466 /nfs/dbraw/zinc/99/54/66/354995466.db2.gz RCIDRQGGPAYONZ-CYBMUJFWSA-N 1 2 240.310 2.522 20 0 BFADLO CC(C)c1nc(N2[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000335206486 355042051 /nfs/dbraw/zinc/04/20/51/355042051.db2.gz KAVGPSGEMQAUNH-UWVGGRQHSA-N 1 2 205.305 2.587 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@H](C)C2)[nH+]1 ZINC000346696879 355060233 /nfs/dbraw/zinc/06/02/33/355060233.db2.gz XEBHUEOPWYOYAH-VHSXEESVSA-N 1 2 244.342 2.749 20 0 BFADLO Cc1ccc2[nH+]cc(/C=C\c3ccncn3)n2c1 ZINC000346933602 355182279 /nfs/dbraw/zinc/18/22/79/355182279.db2.gz UTKXVDWZCCAGCL-ARJAWSKDSA-N 1 2 236.278 2.603 20 0 BFADLO CC1(C)C[C@H]1Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000346937584 355183639 /nfs/dbraw/zinc/18/36/39/355183639.db2.gz MFKKXMOFSMCMMH-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)C[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000346937584 355183641 /nfs/dbraw/zinc/18/36/41/355183641.db2.gz MFKKXMOFSMCMMH-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO CC[C@@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000347003620 355201669 /nfs/dbraw/zinc/20/16/69/355201669.db2.gz HGBOWNMCQNUUPP-LLVKDONJSA-N 1 2 219.332 2.979 20 0 BFADLO C[C@@H]1C[C@@H](C)CN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413024426 191343747 /nfs/dbraw/zinc/34/37/47/191343747.db2.gz MQTKNDLODGAYSN-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@@H](C)CN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413024426 191343749 /nfs/dbraw/zinc/34/37/49/191343749.db2.gz MQTKNDLODGAYSN-GHMZBOCLSA-N 1 2 246.358 2.533 20 0 BFADLO CC(C)[C@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413077704 191354207 /nfs/dbraw/zinc/35/42/07/191354207.db2.gz BQRUAFRYKQBCFD-GFCCVEGCSA-N 1 2 246.358 2.676 20 0 BFADLO CC(C)[C@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000413077704 191354210 /nfs/dbraw/zinc/35/42/10/191354210.db2.gz BQRUAFRYKQBCFD-GFCCVEGCSA-N 1 2 246.358 2.676 20 0 BFADLO CC1(C)CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413114985 191354407 /nfs/dbraw/zinc/35/44/07/191354407.db2.gz MYLSDEBUDUKCCD-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413114985 191354409 /nfs/dbraw/zinc/35/44/09/191354409.db2.gz MYLSDEBUDUKCCD-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413099064 191355162 /nfs/dbraw/zinc/35/51/62/191355162.db2.gz QXSGQTNLCKNWEA-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO C[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413099064 191355164 /nfs/dbraw/zinc/35/51/64/191355164.db2.gz QXSGQTNLCKNWEA-NSHDSACASA-N 1 2 246.358 2.677 20 0 BFADLO CC(C)[C@@]1(C)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000413445233 191384985 /nfs/dbraw/zinc/38/49/85/191384985.db2.gz WLRHVNIJKCLLDT-BXUZGUMPSA-N 1 2 231.343 2.622 20 0 BFADLO CC(C)[C@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413188871 191361878 /nfs/dbraw/zinc/36/18/78/191361878.db2.gz VGIDZBGMZJSDNR-NSHDSACASA-N 1 2 246.358 2.533 20 0 BFADLO CC(C)[C@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413188871 191361881 /nfs/dbraw/zinc/36/18/81/191361881.db2.gz VGIDZBGMZJSDNR-NSHDSACASA-N 1 2 246.358 2.533 20 0 BFADLO FC1(F)CC(CCNc2cccc[nH+]2)C1 ZINC000413341130 191372756 /nfs/dbraw/zinc/37/27/56/191372756.db2.gz MRXUAWTUPSXXOK-UHFFFAOYSA-N 1 2 212.243 2.929 20 0 BFADLO Cc1nc(NCCc2ccc(C)c[nH+]2)sc1C ZINC000413357318 191375382 /nfs/dbraw/zinc/37/53/82/191375382.db2.gz VKBTUWQKDRUNMG-UHFFFAOYSA-N 1 2 247.367 2.540 20 0 BFADLO C[C@@H](CC(=O)N1[C@H](C)CCC[C@@H]1C)n1cc[nH+]c1 ZINC000583503363 355335163 /nfs/dbraw/zinc/33/51/63/355335163.db2.gz ZCYHELJBCPPONV-XQQFMLRXSA-N 1 2 249.358 2.624 20 0 BFADLO CCC[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000582161242 355323806 /nfs/dbraw/zinc/32/38/06/355323806.db2.gz CPDJSYWNHNXLIY-OCCSQVGLSA-N 1 2 249.354 2.721 20 0 BFADLO CCC[C@H]([NH2+]C[C@H](C)c1ccccc1)C(=O)OC ZINC000582161241 355323829 /nfs/dbraw/zinc/32/38/29/355323829.db2.gz CPDJSYWNHNXLIY-JSGCOSHPSA-N 1 2 249.354 2.721 20 0 BFADLO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccns1 ZINC000639276490 355349775 /nfs/dbraw/zinc/34/97/75/355349775.db2.gz CRRNQHJNCGKYGQ-OLZOCXBDSA-N 1 2 248.326 2.870 20 0 BFADLO CCC[C@@H](C[N@@H+]1CCCC(F)(F)C1)OC ZINC000639288680 355399906 /nfs/dbraw/zinc/39/99/06/355399906.db2.gz JVLYPOTWYFTVHC-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC[C@@H](C[N@H+]1CCCC(F)(F)C1)OC ZINC000639288680 355399909 /nfs/dbraw/zinc/39/99/09/355399909.db2.gz JVLYPOTWYFTVHC-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)o1 ZINC000414550308 191534046 /nfs/dbraw/zinc/53/40/46/191534046.db2.gz CTDNQHOEZWRQGS-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccon1 ZINC000349828660 355486962 /nfs/dbraw/zinc/48/69/62/355486962.db2.gz BEYNYOBFPWOYQB-DTWKUNHWSA-N 1 2 235.262 2.621 20 0 BFADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349830427 355487884 /nfs/dbraw/zinc/48/78/84/355487884.db2.gz GFJCCOLHMRANQZ-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO C[NH2+]Cc1noc(C[C@@H]2CCCCC2(C)C)n1 ZINC000349934314 355531075 /nfs/dbraw/zinc/53/10/75/355531075.db2.gz KOABDEZUYHUQKB-JTQLQIEISA-N 1 2 237.347 2.548 20 0 BFADLO C[NH2+]Cc1noc(/C(C)=C/c2ccc(C)cc2)n1 ZINC000349937759 355532202 /nfs/dbraw/zinc/53/22/02/355532202.db2.gz VHNBAMDSTZRJCX-DHZHZOJOSA-N 1 2 243.310 2.658 20 0 BFADLO Cc1nc(N[C@H]2CC(C)(C)OC2(C)C)cc[nH+]1 ZINC000349889251 355520031 /nfs/dbraw/zinc/52/00/31/355520031.db2.gz AXUKXIXMJAXQIV-JTQLQIEISA-N 1 2 235.331 2.543 20 0 BFADLO Cc1nc(N[C@@H]2CC(C)(C)OC2(C)C)cc[nH+]1 ZINC000349889252 355520455 /nfs/dbraw/zinc/52/04/55/355520455.db2.gz AXUKXIXMJAXQIV-SNVBAGLBSA-N 1 2 235.331 2.543 20 0 BFADLO CO[C@@H](C)[C@@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000639302404 355647571 /nfs/dbraw/zinc/64/75/71/355647571.db2.gz FFXYJWIXYBEAPJ-MNOVXSKESA-N 1 2 234.343 2.796 20 0 BFADLO CO[C@H](CNc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000639302461 355647900 /nfs/dbraw/zinc/64/79/00/355647900.db2.gz FVGKUQWDRJCVFO-OAHLLOKOSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@H]1CC[N@H+](CCc2ccccn2)CC1(F)F ZINC000335878755 355650298 /nfs/dbraw/zinc/65/02/98/355650298.db2.gz MCORBULZHNJROC-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO C[C@H]1CC[N@@H+](CCc2ccccn2)CC1(F)F ZINC000335878755 355650302 /nfs/dbraw/zinc/65/03/02/355650302.db2.gz MCORBULZHNJROC-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1CC[N@H+](CCc2ccccn2)CC1(F)F ZINC000335878754 355650310 /nfs/dbraw/zinc/65/03/10/355650310.db2.gz MCORBULZHNJROC-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1CC[N@@H+](CCc2ccccn2)CC1(F)F ZINC000335878754 355650313 /nfs/dbraw/zinc/65/03/13/355650313.db2.gz MCORBULZHNJROC-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000350175736 355619367 /nfs/dbraw/zinc/61/93/67/355619367.db2.gz IRECVFAKASSQQA-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000639313770 355683167 /nfs/dbraw/zinc/68/31/67/355683167.db2.gz YAEDWWLIDYWMAB-SNVBAGLBSA-N 1 2 234.274 2.762 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000639313770 355683171 /nfs/dbraw/zinc/68/31/71/355683171.db2.gz YAEDWWLIDYWMAB-SNVBAGLBSA-N 1 2 234.274 2.762 20 0 BFADLO COc1cccc(C[NH2+]Cc2ncc(C)o2)c1C ZINC000639332217 355756910 /nfs/dbraw/zinc/75/69/10/355756910.db2.gz GSHNDOFDCOSPHF-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1cnc(C[NH+]2CC(Cc3ccsc3)C2)o1 ZINC000639341162 355782567 /nfs/dbraw/zinc/78/25/67/355782567.db2.gz PFYVFMXQAMKYQB-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO COC1CCC(Nc2c[nH+]cc(N(C)C)c2)CC1 ZINC000639363179 355815154 /nfs/dbraw/zinc/81/51/54/355815154.db2.gz BBPPNXFWKGUQRT-UHFFFAOYSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccco2)cs1 ZINC000035137080 355846300 /nfs/dbraw/zinc/84/63/00/355846300.db2.gz VJZXTFATAIXIRO-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@H](CC)C2)o1 ZINC000608510577 355832516 /nfs/dbraw/zinc/83/25/16/355832516.db2.gz HRCJWHWZSJTEET-LLVKDONJSA-N 1 2 240.372 2.564 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@H](CC)C2)o1 ZINC000608510577 355832519 /nfs/dbraw/zinc/83/25/19/355832519.db2.gz HRCJWHWZSJTEET-LLVKDONJSA-N 1 2 240.372 2.564 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCC(F)(F)F ZINC000425590144 191923353 /nfs/dbraw/zinc/92/33/53/191923353.db2.gz VSBNCYSIBMHSQT-UHFFFAOYSA-N 1 2 246.232 2.979 20 0 BFADLO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000608750698 355972003 /nfs/dbraw/zinc/97/20/03/355972003.db2.gz PEVZDCOJGKAIOI-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@H](C(F)(F)F)O1 ZINC000608750698 355972009 /nfs/dbraw/zinc/97/20/09/355972009.db2.gz PEVZDCOJGKAIOI-GMTAPVOTSA-N 1 2 249.276 2.747 20 0 BFADLO C[NH+](C)Cc1nc([C@H]2CCCC(C)(C)C2)no1 ZINC000335911314 356123780 /nfs/dbraw/zinc/12/37/80/356123780.db2.gz UMCPDWMFNPUNNE-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000335917541 356159387 /nfs/dbraw/zinc/15/93/87/356159387.db2.gz RZRRVBRJDVZHMH-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000335917541 356159390 /nfs/dbraw/zinc/15/93/90/356159390.db2.gz RZRRVBRJDVZHMH-LBPRGKRZSA-N 1 2 240.347 2.954 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CC[C@](C)(F)C1 ZINC000335917497 356161934 /nfs/dbraw/zinc/16/19/34/356161934.db2.gz CQSJQKUADCLHQR-AWEZNQCLSA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CC[C@](C)(F)C1 ZINC000335917497 356161935 /nfs/dbraw/zinc/16/19/35/356161935.db2.gz CQSJQKUADCLHQR-AWEZNQCLSA-N 1 2 247.317 2.507 20 0 BFADLO CC[N@H+](CC(C)=O)Cc1ccccc1Cl ZINC000639450355 356234447 /nfs/dbraw/zinc/23/44/47/356234447.db2.gz ZZIAFASBOMIJKB-UHFFFAOYSA-N 1 2 225.719 2.751 20 0 BFADLO CC[N@@H+](CC(C)=O)Cc1ccccc1Cl ZINC000639450355 356234450 /nfs/dbraw/zinc/23/44/50/356234450.db2.gz ZZIAFASBOMIJKB-UHFFFAOYSA-N 1 2 225.719 2.751 20 0 BFADLO CCC[N@H+](CC(C)=O)Cc1ccccc1F ZINC000639464343 356249745 /nfs/dbraw/zinc/24/97/45/356249745.db2.gz YEUNRSXIZCWIBC-UHFFFAOYSA-N 1 2 223.291 2.627 20 0 BFADLO CCC[N@@H+](CC(C)=O)Cc1ccccc1F ZINC000639464343 356249747 /nfs/dbraw/zinc/24/97/47/356249747.db2.gz YEUNRSXIZCWIBC-UHFFFAOYSA-N 1 2 223.291 2.627 20 0 BFADLO CC[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000336362497 356349854 /nfs/dbraw/zinc/34/98/54/356349854.db2.gz SPZXLQOJRPGECM-LLVKDONJSA-N 1 2 217.316 2.733 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000639516427 356354410 /nfs/dbraw/zinc/35/44/10/356354410.db2.gz HABULOUXOJFKJR-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000639516427 356354411 /nfs/dbraw/zinc/35/44/11/356354411.db2.gz HABULOUXOJFKJR-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO c1cc(C[N@H+](Cc2ccncc2)C2CC2)sn1 ZINC000639549380 356414765 /nfs/dbraw/zinc/41/47/65/356414765.db2.gz PJLPZLKUIKPRFN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO c1cc(C[N@@H+](Cc2ccncc2)C2CC2)sn1 ZINC000639549380 356414768 /nfs/dbraw/zinc/41/47/68/356414768.db2.gz PJLPZLKUIKPRFN-UHFFFAOYSA-N 1 2 245.351 2.703 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2nccs2)nc1 ZINC000379275800 356438167 /nfs/dbraw/zinc/43/81/67/356438167.db2.gz OKZZCCQEHBCXDI-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC1(C)CCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000300332945 356488090 /nfs/dbraw/zinc/48/80/90/356488090.db2.gz CLOPGJLNHJSRFG-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO CC1(C)CCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000300332945 356488094 /nfs/dbraw/zinc/48/80/94/356488094.db2.gz CLOPGJLNHJSRFG-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO COC(=O)[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1 ZINC000609805097 356473991 /nfs/dbraw/zinc/47/39/91/356473991.db2.gz DFWZQKBEUNZUGX-BXUZGUMPSA-N 1 2 247.338 2.536 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(C)(OC)CC1 ZINC000639569410 356491932 /nfs/dbraw/zinc/49/19/32/356491932.db2.gz ULSKFBHLSNPMJJ-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO CC(=O)C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000639568433 356493967 /nfs/dbraw/zinc/49/39/67/356493967.db2.gz FNWVFRYOYZJPKL-QMMMGPOBSA-N 1 2 229.682 2.719 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000639573104 356497421 /nfs/dbraw/zinc/49/74/21/356497421.db2.gz XFMFKXLIHINOFF-WDEREUQCSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000639573104 356497424 /nfs/dbraw/zinc/49/74/24/356497424.db2.gz XFMFKXLIHINOFF-WDEREUQCSA-N 1 2 235.318 2.515 20 0 BFADLO CC(=O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000639581709 356502236 /nfs/dbraw/zinc/50/22/36/356502236.db2.gz XYDWLZBICGSHLH-NSHDSACASA-N 1 2 244.294 2.581 20 0 BFADLO CCCC[N@H+](CC)Cc1nn(C)cc1Cl ZINC000420897695 192268587 /nfs/dbraw/zinc/26/85/87/192268587.db2.gz CVISXQRMCGRLNS-UHFFFAOYSA-N 1 2 229.755 2.696 20 0 BFADLO CCCC[N@@H+](CC)Cc1nn(C)cc1Cl ZINC000420897695 192268590 /nfs/dbraw/zinc/26/85/90/192268590.db2.gz CVISXQRMCGRLNS-UHFFFAOYSA-N 1 2 229.755 2.696 20 0 BFADLO CCN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000301208249 356510894 /nfs/dbraw/zinc/51/08/94/356510894.db2.gz RWYCRHUZFGYDJW-UHFFFAOYSA-N 1 2 227.311 2.812 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000639596689 356516034 /nfs/dbraw/zinc/51/60/34/356516034.db2.gz XOOXUOVWIFDQEV-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO CCC(F)(F)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000639596689 356516037 /nfs/dbraw/zinc/51/60/37/356516037.db2.gz XOOXUOVWIFDQEV-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO CC[C@@H]1CCc2ccccc2[N@@H+]1C[C@H]1C[C@@H](O)C1 ZINC000420928503 192287862 /nfs/dbraw/zinc/28/78/62/192287862.db2.gz BLJOEQIALXNNQZ-YUELXQCFSA-N 1 2 245.366 2.989 20 0 BFADLO CC[C@@H]1CCc2ccccc2[N@H+]1C[C@H]1C[C@@H](O)C1 ZINC000420928503 192287864 /nfs/dbraw/zinc/28/78/64/192287864.db2.gz BLJOEQIALXNNQZ-YUELXQCFSA-N 1 2 245.366 2.989 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000639625235 356538751 /nfs/dbraw/zinc/53/87/51/356538751.db2.gz RGBDEZUPKGQYAR-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000639625235 356538753 /nfs/dbraw/zinc/53/87/53/356538753.db2.gz RGBDEZUPKGQYAR-ZJUUUORDSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421331165 192318212 /nfs/dbraw/zinc/31/82/12/192318212.db2.gz SCGWYYYBFOGLHF-VIFPVBQESA-N 1 2 243.782 2.860 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421331165 192318214 /nfs/dbraw/zinc/31/82/14/192318214.db2.gz SCGWYYYBFOGLHF-VIFPVBQESA-N 1 2 243.782 2.860 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@H]1CC ZINC000449893509 202049408 /nfs/dbraw/zinc/04/94/08/202049408.db2.gz YCUDERSTKCXCKE-DGCLKSJQSA-N 1 2 246.354 2.831 20 0 BFADLO CCC[N@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421320110 192316490 /nfs/dbraw/zinc/31/64/90/192316490.db2.gz AIMYTLVANHKCIX-UHFFFAOYSA-N 1 2 229.755 2.614 20 0 BFADLO CCC[N@@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421320110 192316492 /nfs/dbraw/zinc/31/64/92/192316492.db2.gz AIMYTLVANHKCIX-UHFFFAOYSA-N 1 2 229.755 2.614 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000450023440 202067784 /nfs/dbraw/zinc/06/77/84/202067784.db2.gz FGNKRQQZFKJAQG-NEPJUHHUSA-N 1 2 249.358 2.551 20 0 BFADLO CC[N@H+](CC(F)(F)CC)[C@H]1CCCOC1 ZINC000639728705 356621869 /nfs/dbraw/zinc/62/18/69/356621869.db2.gz DIDLOVSPCBYBGR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC[N@@H+](CC(F)(F)CC)[C@H]1CCCOC1 ZINC000639728705 356621873 /nfs/dbraw/zinc/62/18/73/356621873.db2.gz DIDLOVSPCBYBGR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Cc1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1C ZINC000450256366 202110837 /nfs/dbraw/zinc/11/08/37/202110837.db2.gz PQMSVUZUAVPSQW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1C ZINC000450256366 202110840 /nfs/dbraw/zinc/11/08/40/202110840.db2.gz PQMSVUZUAVPSQW-NSHDSACASA-N 1 2 239.746 2.869 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(O)c1)C(C)(F)F ZINC000389457493 356678826 /nfs/dbraw/zinc/67/88/26/356678826.db2.gz BNTWEHWEFHJPNS-QMMMGPOBSA-N 1 2 215.243 2.526 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cncs1 ZINC000389464948 356679131 /nfs/dbraw/zinc/67/91/31/356679131.db2.gz HYEUTGBCRDQVOP-RQJHMYQMSA-N 1 2 220.288 2.837 20 0 BFADLO C[C@@H](N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(F)F ZINC000389494204 356694628 /nfs/dbraw/zinc/69/46/28/356694628.db2.gz WOLGTFQPAJTJIU-IWSPIJDZSA-N 1 2 229.274 2.522 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cs1 ZINC000639779079 356726310 /nfs/dbraw/zinc/72/63/10/356726310.db2.gz XGULGOPPTYTQHL-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)cs1 ZINC000639779079 356726314 /nfs/dbraw/zinc/72/63/14/356726314.db2.gz XGULGOPPTYTQHL-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO CC[N@@H+](Cc1cccs1)Cc1[nH]ncc1C ZINC000356065283 356788392 /nfs/dbraw/zinc/78/83/92/356788392.db2.gz ZPVPHTSHAZQUGE-UHFFFAOYSA-N 1 2 235.356 2.802 20 0 BFADLO CC[N@H+](Cc1ccccn1)[C@H](C)c1ncc(C)o1 ZINC000356985295 356810936 /nfs/dbraw/zinc/81/09/36/356810936.db2.gz NUIQAGBOBKPMMV-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccccn1)[C@H](C)c1ncc(C)o1 ZINC000356985295 356810940 /nfs/dbraw/zinc/81/09/40/356810940.db2.gz NUIQAGBOBKPMMV-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cn[nH]c1C ZINC000358505571 356870392 /nfs/dbraw/zinc/87/03/92/356870392.db2.gz KEWCOFDRXHLHAZ-LLVKDONJSA-N 1 2 244.342 2.526 20 0 BFADLO CC[N@@H+](Cc1ncc(Cl)s1)C[C@H](C)OC ZINC000361007933 356915489 /nfs/dbraw/zinc/91/54/89/356915489.db2.gz CBMUOFJFTSEUNC-QMMMGPOBSA-N 1 2 248.779 2.653 20 0 BFADLO CC[N@H+](Cc1ncc(Cl)s1)C[C@H](C)OC ZINC000361007933 356915494 /nfs/dbraw/zinc/91/54/94/356915494.db2.gz CBMUOFJFTSEUNC-QMMMGPOBSA-N 1 2 248.779 2.653 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000361132505 356917868 /nfs/dbraw/zinc/91/78/68/356917868.db2.gz QBRGRDBPPQLOCG-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCN(Cc1cccc(F)c1)c1cc[nH+]c(C)n1 ZINC000361134779 356917902 /nfs/dbraw/zinc/91/79/02/356917902.db2.gz AHZUZVZAMWYGIV-UHFFFAOYSA-N 1 2 245.301 2.951 20 0 BFADLO CCc1cnccc1[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC000361135105 356917982 /nfs/dbraw/zinc/91/79/82/356917982.db2.gz KFFIUWIFQOPTPD-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1cc(N[C@@H](C(C)C)C2CC2)c(C#N)c[nH+]1 ZINC000399530797 356971892 /nfs/dbraw/zinc/97/18/92/356971892.db2.gz UWYXQOOUOKXLBT-AWEZNQCLSA-N 1 2 229.327 2.530 20 0 BFADLO C[C@@H](Nc1cccc(CCCO)c1)c1[nH]cc[nH+]1 ZINC000353682736 538761401 /nfs/dbraw/zinc/76/14/01/538761401.db2.gz OKJODOVBAOOUES-LLVKDONJSA-N 1 2 245.326 2.508 20 0 BFADLO Cc1c(N[C@@H](C)c2[nH]cc[nH+]2)cnn1CC(C)C ZINC000353666134 538755612 /nfs/dbraw/zinc/75/56/12/538755612.db2.gz NLUKABYGDBZDMB-JTQLQIEISA-N 1 2 247.346 2.744 20 0 BFADLO CC1=C[C@H](C)C[C@H](CNc2c[nH]c[nH+]2)C1 ZINC000389711189 357017629 /nfs/dbraw/zinc/01/76/29/357017629.db2.gz MJIJCKJCAKJEHW-ONGXEEELSA-N 1 2 205.305 2.814 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CCCC1(F)F ZINC000390927902 357119119 /nfs/dbraw/zinc/11/91/19/357119119.db2.gz HCIWDBOEBRKFTN-SECBINFHSA-N 1 2 242.269 2.938 20 0 BFADLO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccoc1 ZINC000393334157 357281783 /nfs/dbraw/zinc/28/17/83/357281783.db2.gz VOOICRFAOCAIPS-MRVPVSSYSA-N 1 2 239.706 2.517 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC2(CCC2)C[C@@H]1C ZINC000583704209 357283765 /nfs/dbraw/zinc/28/37/65/357283765.db2.gz YYPQTMXPSNKVCW-NSHDSACASA-N 1 2 231.343 2.862 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000393481925 357284583 /nfs/dbraw/zinc/28/45/83/357284583.db2.gz KORTZDLDUCHDNI-UHFFFAOYSA-N 1 2 232.299 2.765 20 0 BFADLO CSc1ccc(C[NH+]2CC3(C2)CCCO3)cc1 ZINC000628426817 357256148 /nfs/dbraw/zinc/25/61/48/357256148.db2.gz NQXWFMNAROIYJI-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cc(C)on1 ZINC000102408646 357388796 /nfs/dbraw/zinc/38/87/96/357388796.db2.gz HOFULSCMFJXTQL-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cc(C)on1 ZINC000102408646 357388800 /nfs/dbraw/zinc/38/88/00/357388800.db2.gz HOFULSCMFJXTQL-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CC[C@H](C)C2)[nH+]1 ZINC000582971146 357448100 /nfs/dbraw/zinc/44/81/00/357448100.db2.gz UGHBKMKGJWALCF-GXSJLCMTSA-N 1 2 249.358 2.506 20 0 BFADLO Cc1coc(SCc2c[nH+]c3ccccn23)n1 ZINC000188361988 357528706 /nfs/dbraw/zinc/52/87/06/357528706.db2.gz URACHVDHKPTXAU-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)c1ccccn1 ZINC000085711779 357560402 /nfs/dbraw/zinc/56/04/02/357560402.db2.gz BTKKHGUUBMZLBY-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO Cc1cccc(CCNc2ncccc2F)[nH+]1 ZINC000359838090 538857757 /nfs/dbraw/zinc/85/77/57/538857757.db2.gz DKSHLUHEXCWXPQ-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1cc(N[C@@H]2CCSC2)nc(C(C)C)[nH+]1 ZINC000230919762 357579559 /nfs/dbraw/zinc/57/95/59/357579559.db2.gz FSSKCFIWHVHCRV-SNVBAGLBSA-N 1 2 237.372 2.826 20 0 BFADLO C[N@H+](Cc1cccc(Cl)c1)Cc1ncccn1 ZINC000191916565 357804292 /nfs/dbraw/zinc/80/42/92/357804292.db2.gz WTJZFUQVZVDZLJ-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccc(Cl)c1)Cc1ncccn1 ZINC000191916565 357804293 /nfs/dbraw/zinc/80/42/93/357804293.db2.gz WTJZFUQVZVDZLJ-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[C@@H](c1cccs1)[N@H+](C)Cc1ncccn1 ZINC000191946993 357806204 /nfs/dbraw/zinc/80/62/04/357806204.db2.gz YGMZZFJTLFPXGX-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1ncccn1 ZINC000191946993 357806207 /nfs/dbraw/zinc/80/62/07/357806207.db2.gz YGMZZFJTLFPXGX-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[N@@H+](Cc1cn2ccsc2n1)Cc1ccco1 ZINC000064344764 357813936 /nfs/dbraw/zinc/81/39/36/357813936.db2.gz KFSIQKVTCXSAKA-UHFFFAOYSA-N 1 2 247.323 2.621 20 0 BFADLO C[N@H+](Cc1cn2ccsc2n1)Cc1ccco1 ZINC000064344764 357813938 /nfs/dbraw/zinc/81/39/38/357813938.db2.gz KFSIQKVTCXSAKA-UHFFFAOYSA-N 1 2 247.323 2.621 20 0 BFADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ncccn2)c1 ZINC000192156949 357825128 /nfs/dbraw/zinc/82/51/28/357825128.db2.gz XBPCUDRIFWJVLV-CYBMUJFWSA-N 1 2 241.338 2.944 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000397963376 357815619 /nfs/dbraw/zinc/81/56/19/357815619.db2.gz WJHXOAUDRSZWTE-ZANVPECISA-N 1 2 246.310 2.989 20 0 BFADLO Cc1nocc1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000397963373 357816126 /nfs/dbraw/zinc/81/61/26/357816126.db2.gz WJHXOAUDRSZWTE-NOZJJQNGSA-N 1 2 246.310 2.989 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cocn2)o1 ZINC000397991498 357821473 /nfs/dbraw/zinc/82/14/73/357821473.db2.gz XDILRGFHMDCGJB-SKDRFNHKSA-N 1 2 232.283 2.681 20 0 BFADLO C[C@H]1CCC[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235586457 357881350 /nfs/dbraw/zinc/88/13/50/357881350.db2.gz AYNBDGYCKHQCDZ-JGVFFNPUSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@H]1CCC[C@@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235586457 357881354 /nfs/dbraw/zinc/88/13/54/357881354.db2.gz AYNBDGYCKHQCDZ-JGVFFNPUSA-N 1 2 240.738 2.560 20 0 BFADLO FC(F)(F)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161959 357966963 /nfs/dbraw/zinc/96/69/63/357966963.db2.gz PUJMRQLKTGPYTE-UHFFFAOYSA-N 1 2 233.277 2.963 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cnc(C)s2)co1 ZINC000639997355 358034829 /nfs/dbraw/zinc/03/48/29/358034829.db2.gz YNRCKRUJIHBUMY-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCC1CCCC1 ZINC000639971091 358020086 /nfs/dbraw/zinc/02/00/86/358020086.db2.gz WGHHCFYKRZQPER-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCC1CCCC1 ZINC000639971091 358020089 /nfs/dbraw/zinc/02/00/89/358020089.db2.gz WGHHCFYKRZQPER-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1c(C)cccc1C ZINC000639971293 358020357 /nfs/dbraw/zinc/02/03/57/358020357.db2.gz ZAAYOMJRQIANMS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1c(C)cccc1C ZINC000639971293 358020359 /nfs/dbraw/zinc/02/03/59/358020359.db2.gz ZAAYOMJRQIANMS-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCCC(C)(C)C ZINC000639971598 358030098 /nfs/dbraw/zinc/03/00/98/358030098.db2.gz SKONIYMIEJVRNR-UHFFFAOYSA-N 1 2 223.364 2.976 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCCC(C)(C)C ZINC000639971598 358030100 /nfs/dbraw/zinc/03/01/00/358030100.db2.gz SKONIYMIEJVRNR-UHFFFAOYSA-N 1 2 223.364 2.976 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(COC)c1 ZINC000051921552 358101539 /nfs/dbraw/zinc/10/15/39/358101539.db2.gz LEJUKRRYDMCAIN-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(F)F ZINC000389930661 491121766 /nfs/dbraw/zinc/12/17/66/491121766.db2.gz ZYZATLYTPXGEKA-ZCFIWIBFSA-N 1 2 221.197 2.708 20 0 BFADLO CCC[N@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000171678701 134257734 /nfs/dbraw/zinc/25/77/34/134257734.db2.gz OLHHLHBHAALQHR-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CCC[N@@H+](Cc1noc(C(C)C)n1)C1CC1 ZINC000171678701 134257735 /nfs/dbraw/zinc/25/77/35/134257735.db2.gz OLHHLHBHAALQHR-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)c1noc(C[NH+]2CCC(C)(F)CC2)n1 ZINC000640070093 358156088 /nfs/dbraw/zinc/15/60/88/358156088.db2.gz UNHRTHZCACOYKH-UHFFFAOYSA-N 1 2 241.310 2.517 20 0 BFADLO Cc1[nH+]cccc1Cc1nc([C@H]2CC23CC3)no1 ZINC000351313027 358170969 /nfs/dbraw/zinc/17/09/69/358170969.db2.gz OVEVUGZHIIYHEQ-LLVKDONJSA-N 1 2 241.294 2.631 20 0 BFADLO CCN(c1cc(C)[nH+]cn1)C1CCCC1 ZINC000343143331 535406549 /nfs/dbraw/zinc/40/65/49/535406549.db2.gz WEZSSXLJHGHWMQ-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO Fc1ccc([C@@H]([NH2+]Cc2ccn[nH]2)C2CC2)cc1 ZINC000041015600 358241178 /nfs/dbraw/zinc/24/11/78/358241178.db2.gz FXSIXWWAIMZWGY-AWEZNQCLSA-N 1 2 245.301 2.790 20 0 BFADLO CC1(CNc2[nH]c3cc(F)ccc3[nH+]2)CC1 ZINC000225820159 358313297 /nfs/dbraw/zinc/31/32/97/358313297.db2.gz SDYQVFZAADEAHG-UHFFFAOYSA-N 1 2 219.263 2.914 20 0 BFADLO Cc1[nH+]cccc1Cc1noc([C@H](C)C2CC2)n1 ZINC000351228509 366456000 /nfs/dbraw/zinc/45/60/00/366456000.db2.gz GVRMOERXXXVCPB-SECBINFHSA-N 1 2 243.310 2.877 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000042229752 358519751 /nfs/dbraw/zinc/51/97/51/358519751.db2.gz NIYACAGOCOYGPA-YPMHNXCESA-N 1 2 235.327 2.535 20 0 BFADLO CCOc1ccccc1C[NH2+]Cc1cc(C)on1 ZINC000044692175 358552038 /nfs/dbraw/zinc/55/20/38/358552038.db2.gz FTOMGIINPYXQJT-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cn3ccccc3n2)o1 ZINC000048436826 358635019 /nfs/dbraw/zinc/63/50/19/358635019.db2.gz WRGKIXMBYDLGTR-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO CCC[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000131458521 358677209 /nfs/dbraw/zinc/67/72/09/358677209.db2.gz VDSXSLJBZGVTQT-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO CCC[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000131458521 358677212 /nfs/dbraw/zinc/67/72/12/358677212.db2.gz VDSXSLJBZGVTQT-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2cnccc21 ZINC000049633274 358695983 /nfs/dbraw/zinc/69/59/83/358695983.db2.gz AAHVVZKFJKYDLV-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc(F)cc1C ZINC000051920927 358767373 /nfs/dbraw/zinc/76/73/73/358767373.db2.gz DBCCJZYDEJLNCW-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1cc[nH+]c1CNc1cc(F)ccc1C ZINC000051920913 358767472 /nfs/dbraw/zinc/76/74/72/358767472.db2.gz IQODDPQQGFXHAW-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO Cc1cc(C(=O)C[N@@H+](C)Cc2ccco2)c(C)[nH]1 ZINC000052396094 358780727 /nfs/dbraw/zinc/78/07/27/358780727.db2.gz IUXCCGGVAZECOT-UHFFFAOYSA-N 1 2 246.310 2.539 20 0 BFADLO Cc1cc(C(=O)C[N@H+](C)Cc2ccco2)c(C)[nH]1 ZINC000052396094 358780730 /nfs/dbraw/zinc/78/07/30/358780730.db2.gz IUXCCGGVAZECOT-UHFFFAOYSA-N 1 2 246.310 2.539 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2C=CCCC2)c(C)[nH+]1 ZINC000176683698 134293829 /nfs/dbraw/zinc/29/38/29/134293829.db2.gz JTPCWUZUEPPQMF-LBPRGKRZSA-N 1 2 245.326 2.929 20 0 BFADLO COC[C@H](Nc1ccc(SC)c[nH+]1)C1CC1 ZINC000134310727 358786851 /nfs/dbraw/zinc/78/68/51/358786851.db2.gz FITCJJUJJSYZKJ-NSHDSACASA-N 1 2 238.356 2.640 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)C1CCOCC1 ZINC000134337170 358787565 /nfs/dbraw/zinc/78/75/65/358787565.db2.gz KTGDXBDAPLRTGM-SNVBAGLBSA-N 1 2 220.316 2.617 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(F)c(C)c2)no1 ZINC000052684776 358789448 /nfs/dbraw/zinc/78/94/48/358789448.db2.gz CIZMZNVMQTYLAN-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO CCc1nc(C[N@H+](C)C2CCC(C)CC2)no1 ZINC000054316743 358859723 /nfs/dbraw/zinc/85/97/23/358859723.db2.gz RBGVIXCOJZBLKY-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@@H+](C)C2CCC(C)CC2)no1 ZINC000054316743 358859726 /nfs/dbraw/zinc/85/97/26/358859726.db2.gz RBGVIXCOJZBLKY-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO c1cc(CSCc2cn3ccccc3[nH+]2)no1 ZINC000176904284 134294616 /nfs/dbraw/zinc/29/46/16/134294616.db2.gz PZPZTLRJGSVBPW-UHFFFAOYSA-N 1 2 245.307 2.756 20 0 BFADLO Cc1cccc(CCNc2cc[nH+]c(C)n2)c1 ZINC000054936510 358879448 /nfs/dbraw/zinc/87/94/48/358879448.db2.gz CLKDODLOTYILHK-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO CC[C@@H](NC(=O)c1cc(C)oc1C)c1[nH]cc[nH+]1 ZINC000140452125 358922487 /nfs/dbraw/zinc/92/24/87/358922487.db2.gz SYRBUPSOZWWBBF-LLVKDONJSA-N 1 2 247.298 2.501 20 0 BFADLO C[C@@H](NC(=O)C[C@H]1CCC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000578347342 366530680 /nfs/dbraw/zinc/53/06/80/366530680.db2.gz ZWEIGJOBDVRYIK-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061328542 358932998 /nfs/dbraw/zinc/93/29/98/358932998.db2.gz OTKLVMKSWSJTLO-LBPRGKRZSA-N 1 2 247.367 2.947 20 0 BFADLO FC1(F)CC[C@@H](C[N@@H+]2OC3CCC2CC3)C1 ZINC000640229666 358941024 /nfs/dbraw/zinc/94/10/24/358941024.db2.gz BGKQKBSLRPDTTQ-KPPDAEKUSA-N 1 2 231.286 2.980 20 0 BFADLO FC1(F)CC[C@@H](C[N@H+]2OC3CCC2CC3)C1 ZINC000640229666 358941025 /nfs/dbraw/zinc/94/10/25/358941025.db2.gz BGKQKBSLRPDTTQ-KPPDAEKUSA-N 1 2 231.286 2.980 20 0 BFADLO FCCCCC[N@@H+]1OC2CCC1CC2 ZINC000640229716 358941290 /nfs/dbraw/zinc/94/12/90/358941290.db2.gz DEHOEDLOQSJNQJ-UHFFFAOYSA-N 1 2 201.285 2.685 20 0 BFADLO FCCCCC[N@H+]1OC2CCC1CC2 ZINC000640229716 358941295 /nfs/dbraw/zinc/94/12/95/358941295.db2.gz DEHOEDLOQSJNQJ-UHFFFAOYSA-N 1 2 201.285 2.685 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1ccccc1F ZINC000073394441 359101600 /nfs/dbraw/zinc/10/16/00/359101600.db2.gz PCFWQFUNOZQNHN-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1ccccc1F ZINC000073394441 359101602 /nfs/dbraw/zinc/10/16/02/359101602.db2.gz PCFWQFUNOZQNHN-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)o1 ZINC000070444069 359054677 /nfs/dbraw/zinc/05/46/77/359054677.db2.gz ANVIUHPLCYSKQL-QWRGUYRKSA-N 1 2 233.315 2.733 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)o1 ZINC000070444070 359054709 /nfs/dbraw/zinc/05/47/09/359054709.db2.gz ANVIUHPLCYSKQL-GHMZBOCLSA-N 1 2 233.315 2.733 20 0 BFADLO Cc1nc(N2C[C@H](C(C)C)[C@@H]2C(C)C)cc[nH+]1 ZINC000450806628 202271487 /nfs/dbraw/zinc/27/14/87/202271487.db2.gz QZKHEYHDTXGAOW-OCCSQVGLSA-N 1 2 233.359 2.902 20 0 BFADLO Cc1nc(N2C[C@@H](C(C)C)[C@H]2C(C)C)cc[nH+]1 ZINC000450806626 202273067 /nfs/dbraw/zinc/27/30/67/202273067.db2.gz QZKHEYHDTXGAOW-GXTWGEPZSA-N 1 2 233.359 2.902 20 0 BFADLO c1nn[nH]c1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000450833108 202280773 /nfs/dbraw/zinc/28/07/73/202280773.db2.gz WKMMGXFOHPFMRP-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO c1nn[nH]c1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC000450833108 202280776 /nfs/dbraw/zinc/28/07/76/202280776.db2.gz WKMMGXFOHPFMRP-UHFFFAOYSA-N 1 2 248.374 2.741 20 0 BFADLO CCC(=O)CCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000450846626 202285756 /nfs/dbraw/zinc/28/57/56/202285756.db2.gz MRNIPXQBFAURRS-SNVBAGLBSA-N 1 2 233.302 2.723 20 0 BFADLO CCC(=O)CCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000450846626 202285759 /nfs/dbraw/zinc/28/57/59/202285759.db2.gz MRNIPXQBFAURRS-SNVBAGLBSA-N 1 2 233.302 2.723 20 0 BFADLO Cc1cc[nH+]c(NC[C@H](O)C2CCC2)c1Cl ZINC000450918507 202308740 /nfs/dbraw/zinc/30/87/40/202308740.db2.gz JNKQMRBBPWJBHJ-JTQLQIEISA-N 1 2 240.734 2.616 20 0 BFADLO Cc1cc(NC[C@@H]2C[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000450924832 202309669 /nfs/dbraw/zinc/30/96/69/202309669.db2.gz GUABUCBXZJKUNZ-STQMWFEESA-N 1 2 243.354 2.542 20 0 BFADLO Cc1cccc([C@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC000450948259 202315951 /nfs/dbraw/zinc/31/59/51/202315951.db2.gz OWWPGMVSLSZFPQ-NSHDSACASA-N 1 2 227.311 2.688 20 0 BFADLO Cn1c[nH+]cc1CNc1cccc2cnccc21 ZINC000090165481 360060478 /nfs/dbraw/zinc/06/04/78/360060478.db2.gz ZJAWBTAPOLHTNV-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1COC ZINC000090170323 360061403 /nfs/dbraw/zinc/06/14/03/360061403.db2.gz FYVIUORIDWAMFB-UHFFFAOYSA-N 1 2 245.326 2.662 20 0 BFADLO CCCc1nc(C[N@H+](C)CC2CCCC2)no1 ZINC000064021833 360175939 /nfs/dbraw/zinc/17/59/39/360175939.db2.gz KVMQFMOJQGDIEL-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@@H+](C)CC2CCCC2)no1 ZINC000064021833 360175941 /nfs/dbraw/zinc/17/59/41/360175941.db2.gz KVMQFMOJQGDIEL-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CC(C)(F)C[NH2+]Cc1ncc(Cl)s1 ZINC000631188897 360335997 /nfs/dbraw/zinc/33/59/97/360335997.db2.gz IDNYSLHODRCBQZ-UHFFFAOYSA-N 1 2 222.716 2.634 20 0 BFADLO Cc1nc(N[C@H](C2CCC2)[C@H]2CCCO2)cc[nH+]1 ZINC000631526128 360598461 /nfs/dbraw/zinc/59/84/61/360598461.db2.gz ZBGTWQCFLHLSPL-TZMCWYRMSA-N 1 2 247.342 2.545 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccccn1 ZINC000309528374 491150026 /nfs/dbraw/zinc/15/00/26/491150026.db2.gz CXMRWZRGMVHCBH-ONGXEEELSA-N 1 2 226.270 2.920 20 0 BFADLO C[C@H]([NH2+]C/C=C\c1ccncc1)C(C)(F)F ZINC000449413362 200675558 /nfs/dbraw/zinc/67/55/58/200675558.db2.gz IBZHPMRSOVMWNH-XOULXFPDSA-N 1 2 226.270 2.728 20 0 BFADLO C[C@@H]1CC[C@H]1[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000579069102 366703594 /nfs/dbraw/zinc/70/35/94/366703594.db2.gz CTTKXYPZUHUVMR-RAIGVLPGSA-N 1 2 248.374 2.814 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309745170 491155855 /nfs/dbraw/zinc/15/58/55/491155855.db2.gz FJMPBTQGFBGIRC-NXEZZACHSA-N 1 2 219.332 2.842 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@H](F)C1 ZINC000579127700 366719100 /nfs/dbraw/zinc/71/91/00/366719100.db2.gz JCJVJZRQSUFTCZ-QWRGUYRKSA-N 1 2 223.295 2.786 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccoc2)cn1 ZINC000428464824 201023172 /nfs/dbraw/zinc/02/31/72/201023172.db2.gz YHECLOZNDSZBPK-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccoc2)cn1 ZINC000428464824 201023174 /nfs/dbraw/zinc/02/31/74/201023174.db2.gz YHECLOZNDSZBPK-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CCCc1nc(C[NH+](C2CCC2)C2CCC2)no1 ZINC000429134111 201071299 /nfs/dbraw/zinc/07/12/99/201071299.db2.gz QBASLUOZBSYIQR-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO COCC[N@H+](CCCC(C)C)CC(F)F ZINC000429049778 201062916 /nfs/dbraw/zinc/06/29/16/201062916.db2.gz WBHPQEYNWDHVJC-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO COCC[N@@H+](CCCC(C)C)CC(F)F ZINC000429049778 201062920 /nfs/dbraw/zinc/06/29/20/201062920.db2.gz WBHPQEYNWDHVJC-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO C[C@H](C[N@@H+]1CCC(=O)CC12CCC2)C(F)(F)F ZINC000579369419 366771085 /nfs/dbraw/zinc/77/10/85/366771085.db2.gz BYURHFAGFPDHBT-SECBINFHSA-N 1 2 249.276 2.772 20 0 BFADLO C[C@H](C[N@H+]1CCC(=O)CC12CCC2)C(F)(F)F ZINC000579369419 366771086 /nfs/dbraw/zinc/77/10/86/366771086.db2.gz BYURHFAGFPDHBT-SECBINFHSA-N 1 2 249.276 2.772 20 0 BFADLO CCC[C@H]([NH2+]Cc1ncccn1)c1cccnc1 ZINC000579376698 366774349 /nfs/dbraw/zinc/77/43/49/366774349.db2.gz BDQRVSMTEGASLF-ZDUSSCGKSA-N 1 2 242.326 2.503 20 0 BFADLO CCOC(=O)C(CC)(CC)[NH2+][C@H]1C=CCCC1 ZINC000429303062 201099945 /nfs/dbraw/zinc/09/99/45/201099945.db2.gz VHPODFYAEOQTSP-LBPRGKRZSA-N 1 2 239.359 2.807 20 0 BFADLO C[C@@H]1CC[C@@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562320 201114140 /nfs/dbraw/zinc/11/41/40/201114140.db2.gz VQQGIKKMMSJWKV-MWLCHTKSSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562320 201114143 /nfs/dbraw/zinc/11/41/43/201114143.db2.gz VQQGIKKMMSJWKV-MWLCHTKSSA-N 1 2 235.331 2.567 20 0 BFADLO CCCC[N@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000429719705 201128880 /nfs/dbraw/zinc/12/88/80/201128880.db2.gz PIGLJDPWQNAYCM-VIFPVBQESA-N 1 2 211.309 2.561 20 0 BFADLO CCCC[N@@H+](CC)[C@@H](C)c1noc(C)n1 ZINC000429719705 201128882 /nfs/dbraw/zinc/12/88/82/201128882.db2.gz PIGLJDPWQNAYCM-VIFPVBQESA-N 1 2 211.309 2.561 20 0 BFADLO CCc1cc(N[C@@H]2CC23CCCC3)nc[nH+]1 ZINC000309936892 491158533 /nfs/dbraw/zinc/15/85/33/491158533.db2.gz AHWUVYCRTLQBSO-LLVKDONJSA-N 1 2 217.316 2.784 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000433206653 201167742 /nfs/dbraw/zinc/16/77/42/201167742.db2.gz IEXYYADKFOKWCQ-JTQLQIEISA-N 1 2 248.374 2.500 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000433206653 201167745 /nfs/dbraw/zinc/16/77/45/201167745.db2.gz IEXYYADKFOKWCQ-JTQLQIEISA-N 1 2 248.374 2.500 20 0 BFADLO C[NH2+]c1ccc(NC[C@H]2CCSC2)cc1 ZINC000629657187 361561687 /nfs/dbraw/zinc/56/16/87/361561687.db2.gz UKXGRMYJVZXOIH-SNVBAGLBSA-N 1 2 222.357 2.893 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@H](C)CC[C@H]2C)[nH+]1 ZINC000433765656 201191701 /nfs/dbraw/zinc/19/17/01/201191701.db2.gz LNFZSGKBIZYOFX-NXEZZACHSA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C)[C@H]2C)[nH+]1 ZINC000433783705 201193365 /nfs/dbraw/zinc/19/33/65/201193365.db2.gz RGQIKHBZCVGCNZ-NXEZZACHSA-N 1 2 244.342 2.891 20 0 BFADLO C/C=C/C[C@H]([NH2+]C1CC(C)(C)C1)C(=O)OCC ZINC000434987842 201248531 /nfs/dbraw/zinc/24/85/31/201248531.db2.gz PGMSNHUDSIIMFB-PZBABLGHSA-N 1 2 239.359 2.663 20 0 BFADLO CCCc1nc(C[N@H+](C)C2CC(C)(C)C2)no1 ZINC000448554185 201255972 /nfs/dbraw/zinc/25/59/72/201255972.db2.gz GITPRQRSDDUAHW-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)C2CC(C)(C)C2)no1 ZINC000448554185 201255975 /nfs/dbraw/zinc/25/59/75/201255975.db2.gz GITPRQRSDDUAHW-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCNc1ccc(-c2ccc3c(c2)CCO3)c[nH+]1 ZINC000629722837 361663839 /nfs/dbraw/zinc/66/38/39/361663839.db2.gz WTATUKKSLQAOPD-UHFFFAOYSA-N 1 2 240.306 2.537 20 0 BFADLO CCNc1ccc(-c2cocc2C)c[nH+]1 ZINC000629739276 361676312 /nfs/dbraw/zinc/67/63/12/361676312.db2.gz ZWFGEGZYFVYFTH-UHFFFAOYSA-N 1 2 202.257 2.504 20 0 BFADLO Cc1cc(N(C)Cc2ccc(F)c(C)c2)nc[nH+]1 ZINC000436425304 201326834 /nfs/dbraw/zinc/32/68/34/201326834.db2.gz PAXWJPCOLVUAHA-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Clc1ccc(C[NH2+]Cc2ccccn2)o1 ZINC000037486969 364064951 /nfs/dbraw/zinc/06/49/51/364064951.db2.gz NVFOIZMRLYAGLS-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CCn1ccnc1C[N@@H+]1CCc2ccsc2C1 ZINC000132830510 364272882 /nfs/dbraw/zinc/27/28/82/364272882.db2.gz GOUCPPUGNQZQAO-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCn1ccnc1C[N@H+]1CCc2ccsc2C1 ZINC000132830510 364272889 /nfs/dbraw/zinc/27/28/89/364272889.db2.gz GOUCPPUGNQZQAO-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCC[C@@H]1C[C@H]1Nc1nc(C)[nH+]cc1C ZINC000579494887 366833130 /nfs/dbraw/zinc/83/31/30/366833130.db2.gz DYSXAZGLSCHRGE-GHMZBOCLSA-N 1 2 205.305 2.694 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)o1 ZINC000631730469 364488326 /nfs/dbraw/zinc/48/83/26/364488326.db2.gz VFIGBJXNWRFUTD-LLVKDONJSA-N 1 2 245.326 2.582 20 0 BFADLO Cc1oncc1CSc1[nH+]cc2ccccn21 ZINC000181732824 366842759 /nfs/dbraw/zinc/84/27/59/366842759.db2.gz MMJWUFGWAWQKLA-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO C[C@@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000566472584 364716514 /nfs/dbraw/zinc/71/65/14/364716514.db2.gz OSUBEBDHFASPTF-IJLUTSLNSA-N 1 2 249.358 2.803 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)C[C@@H](C)C1 ZINC000573338284 364803754 /nfs/dbraw/zinc/80/37/54/364803754.db2.gz IYFDYBYYNZBAKW-WDEREUQCSA-N 1 2 233.359 2.966 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccccc1 ZINC000275554519 364758668 /nfs/dbraw/zinc/75/86/68/364758668.db2.gz FCZUTZWYVZYJDY-WCQYABFASA-N 1 2 244.342 2.617 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)c(F)c1 ZINC000573532899 364855187 /nfs/dbraw/zinc/85/51/87/364855187.db2.gz YSGPDXWWTNNTON-OWOJBTEDSA-N 1 2 235.237 2.813 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000573774205 364913692 /nfs/dbraw/zinc/91/36/92/364913692.db2.gz QYKBNYZGCBAOCH-AXFHLTTASA-N 1 2 237.347 2.956 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)n1 ZINC000573774205 364913699 /nfs/dbraw/zinc/91/36/99/364913699.db2.gz QYKBNYZGCBAOCH-AXFHLTTASA-N 1 2 237.347 2.956 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000573814801 364924182 /nfs/dbraw/zinc/92/41/82/364924182.db2.gz JEMZVLDHVCXNPZ-UHFFFAOYSA-N 1 2 224.254 2.565 20 0 BFADLO Fc1ccc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000334211589 541412999 /nfs/dbraw/zinc/41/29/99/541412999.db2.gz HDPDLCNSFZKHIB-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1ccc(Cl)cc1C[N@H+]1CCCOCC1 ZINC000334211589 541413004 /nfs/dbraw/zinc/41/30/04/541413004.db2.gz HDPDLCNSFZKHIB-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000573957863 364954773 /nfs/dbraw/zinc/95/47/73/364954773.db2.gz GZDNFEVGDPQSNH-NWDGAFQWSA-N 1 2 242.326 2.867 20 0 BFADLO COc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC000169025680 365059262 /nfs/dbraw/zinc/05/92/62/365059262.db2.gz XGXQOSKSEXPCIZ-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO c1n[nH]c([C@H]([NH2+][C@H]2CC23CC3)C2CCCCC2)n1 ZINC000574444368 365061573 /nfs/dbraw/zinc/06/15/73/365061573.db2.gz PWXLDKHFONUUKP-NWDGAFQWSA-N 1 2 246.358 2.568 20 0 BFADLO CCC[N@H+](CCCSC)CC(F)F ZINC000157870216 193031427 /nfs/dbraw/zinc/03/14/27/193031427.db2.gz JVXWRHCTLUUJJX-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO CCC[N@@H+](CCCSC)CC(F)F ZINC000157870216 193031429 /nfs/dbraw/zinc/03/14/29/193031429.db2.gz JVXWRHCTLUUJJX-UHFFFAOYSA-N 1 2 211.321 2.717 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(NCC2CC2)[nH+]cn1 ZINC000443439248 193021485 /nfs/dbraw/zinc/02/14/85/193021485.db2.gz QLPNYEFHLOGQFF-LLVKDONJSA-N 1 2 248.374 2.779 20 0 BFADLO CC(C)[C@@H](C)N(C)c1cc(NCC2CC2)nc[nH+]1 ZINC000443439248 193021488 /nfs/dbraw/zinc/02/14/88/193021488.db2.gz QLPNYEFHLOGQFF-LLVKDONJSA-N 1 2 248.374 2.779 20 0 BFADLO CN(CC1CCC1)c1[nH+]c2cccc(F)c2n1C ZINC000443512029 193022891 /nfs/dbraw/zinc/02/28/91/193022891.db2.gz RRFCPVOQVMJQMH-UHFFFAOYSA-N 1 2 247.317 2.949 20 0 BFADLO CC(C)CN(C)c1[nH+]c2cccc(F)c2n1C ZINC000443514755 193023913 /nfs/dbraw/zinc/02/39/13/193023913.db2.gz YPAOVEIUZRXQKL-UHFFFAOYSA-N 1 2 235.306 2.805 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2occc2C)o1 ZINC000575431436 365319634 /nfs/dbraw/zinc/31/96/34/365319634.db2.gz KVGRKLVAMZZBTA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2occc2C)o1 ZINC000575431436 365319641 /nfs/dbraw/zinc/31/96/41/365319641.db2.gz KVGRKLVAMZZBTA-UHFFFAOYSA-N 1 2 234.299 2.770 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)CC(C)(C)C1 ZINC000575815272 365372371 /nfs/dbraw/zinc/37/23/71/365372371.db2.gz FIPXQKUCQNSOLR-SNVBAGLBSA-N 1 2 233.359 2.966 20 0 BFADLO Cc1nc(N2CCCc3ccccc3C2)cc[nH+]1 ZINC000172758020 365378261 /nfs/dbraw/zinc/37/82/61/365378261.db2.gz DOXOOPROVQVSED-UHFFFAOYSA-N 1 2 239.322 2.738 20 0 BFADLO Cc1cnc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000173485278 365426696 /nfs/dbraw/zinc/42/66/96/365426696.db2.gz OXMIXOYGZNXMFT-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cnc(C[N@H+]2CCc3sccc3C2)o1 ZINC000173485278 365426699 /nfs/dbraw/zinc/42/66/99/365426699.db2.gz OXMIXOYGZNXMFT-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1ccncc1Cl ZINC000173783308 365446950 /nfs/dbraw/zinc/44/69/50/365446950.db2.gz XGIMKTVLTNOFNE-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1ccncc1Cl ZINC000173783308 365446952 /nfs/dbraw/zinc/44/69/52/365446952.db2.gz XGIMKTVLTNOFNE-SECBINFHSA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CCCC[C@@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579603260 366902697 /nfs/dbraw/zinc/90/26/97/366902697.db2.gz NETCAFDMCWKHMZ-QWRGUYRKSA-N 1 2 249.358 2.587 20 0 BFADLO Cc1cccc(CCSC2CCOCC2)[nH+]1 ZINC000576158739 365503568 /nfs/dbraw/zinc/50/35/68/365503568.db2.gz XUEGUTZQJRLEKZ-UHFFFAOYSA-N 1 2 237.368 2.845 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000579858941 367054195 /nfs/dbraw/zinc/05/41/95/367054195.db2.gz BKDBOKNSNFZPGA-WRWGMCAJSA-N 1 2 249.358 2.659 20 0 BFADLO COC1(C(=O)Nc2cc[nH+]cc2C)CCCCC1 ZINC000185345098 367129411 /nfs/dbraw/zinc/12/94/11/367129411.db2.gz RVRQGWRJMQMYMT-UHFFFAOYSA-N 1 2 248.326 2.678 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000579968137 367108376 /nfs/dbraw/zinc/10/83/76/367108376.db2.gz JNLFWTHPCNXEPG-ONGXEEELSA-N 1 2 249.358 2.506 20 0 BFADLO Fc1cc(Cl)cc(CNc2c[nH]c[nH+]2)c1 ZINC000380295696 367172920 /nfs/dbraw/zinc/17/29/20/367172920.db2.gz CQVOELVNYLQNIY-UHFFFAOYSA-N 1 2 225.654 2.814 20 0 BFADLO Fc1ccc(CCNc2c[nH]c[nH+]2)c(Cl)c1 ZINC000381482655 367416009 /nfs/dbraw/zinc/41/60/09/367416009.db2.gz FOOYDPKJFVRWTK-UHFFFAOYSA-N 1 2 239.681 2.857 20 0 BFADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000382060226 367482720 /nfs/dbraw/zinc/48/27/20/367482720.db2.gz ALTJNDHCCIGWTP-NSHDSACASA-N 1 2 221.329 2.712 20 0 BFADLO Cc1ccsc1C[NH2+]CC(C)(F)F ZINC000382278291 367502571 /nfs/dbraw/zinc/50/25/71/367502571.db2.gz IJEITKJRDZPABX-UHFFFAOYSA-N 1 2 205.273 2.801 20 0 BFADLO CCc1ccc(CNc2nc(C)[nH+]cc2C)s1 ZINC000581578772 367603037 /nfs/dbraw/zinc/60/30/37/367603037.db2.gz SIYYSMOYZKSQKB-UHFFFAOYSA-N 1 2 247.367 2.751 20 0 BFADLO COc1cc(CNc2ccc(C)[nH+]c2C)sn1 ZINC000399164621 367707720 /nfs/dbraw/zinc/70/77/20/367707720.db2.gz JTVFPNTZZRBABU-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000566337582 326034763 /nfs/dbraw/zinc/03/47/63/326034763.db2.gz GFUWZYSJLWQVLH-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000566337582 326034764 /nfs/dbraw/zinc/03/47/64/326034764.db2.gz GFUWZYSJLWQVLH-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1occc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956780 368149486 /nfs/dbraw/zinc/14/94/86/368149486.db2.gz UKIKXUVMPPIMRC-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CN(C)c1c[nH+]cc(NCc2cccs2)c1 ZINC000630956318 368149563 /nfs/dbraw/zinc/14/95/63/368149563.db2.gz BOFRBUCLULXOIM-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO c1cn(C[C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000034503407 368264806 /nfs/dbraw/zinc/26/48/06/368264806.db2.gz OQDCFQWKDIMKKZ-GFCCVEGCSA-N 1 2 212.296 2.688 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000042145511 368300071 /nfs/dbraw/zinc/30/00/71/368300071.db2.gz QCUSPZVRSDMCAV-JTQLQIEISA-N 1 2 241.766 2.696 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000042145511 368300077 /nfs/dbraw/zinc/30/00/77/368300077.db2.gz QCUSPZVRSDMCAV-JTQLQIEISA-N 1 2 241.766 2.696 20 0 BFADLO CCCCc1nc(C[N@H+](C)CCOC)cs1 ZINC000056293839 368467930 /nfs/dbraw/zinc/46/79/30/368467930.db2.gz QPINPRGKCRFQMU-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CCCCc1nc(C[N@@H+](C)CCOC)cs1 ZINC000056293839 368467936 /nfs/dbraw/zinc/46/79/36/368467936.db2.gz QPINPRGKCRFQMU-UHFFFAOYSA-N 1 2 242.388 2.564 20 0 BFADLO CC[C@@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000057860222 368502024 /nfs/dbraw/zinc/50/20/24/368502024.db2.gz OMWMSJZZTFKOBV-HNNXBMFYSA-N 1 2 232.371 2.775 20 0 BFADLO CC[N@H+](Cc1nccn1C)Cc1cccc(F)c1 ZINC000057621680 368498172 /nfs/dbraw/zinc/49/81/72/368498172.db2.gz JKQUWMUVVUTDBJ-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CC[N@@H+](Cc1nccn1C)Cc1cccc(F)c1 ZINC000057621680 368498176 /nfs/dbraw/zinc/49/81/76/368498176.db2.gz JKQUWMUVVUTDBJ-UHFFFAOYSA-N 1 2 247.317 2.581 20 0 BFADLO CCCC[N@H+](CC)Cc1nnc(OCC)s1 ZINC000063493824 368587052 /nfs/dbraw/zinc/58/70/52/368587052.db2.gz PXDRRXZQSNXGRB-UHFFFAOYSA-N 1 2 243.376 2.559 20 0 BFADLO CCCC[N@@H+](CC)Cc1nnc(OCC)s1 ZINC000063493824 368587060 /nfs/dbraw/zinc/58/70/60/368587060.db2.gz PXDRRXZQSNXGRB-UHFFFAOYSA-N 1 2 243.376 2.559 20 0 BFADLO CCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066849836 368662814 /nfs/dbraw/zinc/66/28/14/368662814.db2.gz DZUDUJJMBHIZHU-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO CCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000066849836 368662815 /nfs/dbraw/zinc/66/28/15/368662815.db2.gz DZUDUJJMBHIZHU-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1(C)CCCC1 ZINC000067306154 368684550 /nfs/dbraw/zinc/68/45/50/368684550.db2.gz ARGLTQRXUFNODM-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO C[C@@H](C(=O)Nc1ccc[nH+]c1N(C)C)C1CCC1 ZINC000457490206 203068972 /nfs/dbraw/zinc/06/89/72/203068972.db2.gz TZCSLIICAGCJQS-SNVBAGLBSA-N 1 2 247.342 2.522 20 0 BFADLO CCC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCCC1 ZINC000458345332 203164938 /nfs/dbraw/zinc/16/49/38/203164938.db2.gz RBIZITFWTSTKKP-GFCCVEGCSA-N 1 2 249.358 2.807 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cc(OC)ccn1 ZINC000106933914 369240547 /nfs/dbraw/zinc/24/05/47/369240547.db2.gz ABYAWUHGEQFLKM-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cc(OC)ccn1 ZINC000106933914 369240554 /nfs/dbraw/zinc/24/05/54/369240554.db2.gz ABYAWUHGEQFLKM-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1cnc(C2CC2)nc1 ZINC000459286699 203246671 /nfs/dbraw/zinc/24/66/71/203246671.db2.gz HMOXLDJUPJIJID-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1cnc(C2CC2)nc1 ZINC000459286699 203246673 /nfs/dbraw/zinc/24/66/73/203246673.db2.gz HMOXLDJUPJIJID-UHFFFAOYSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1ncc(C[NH2+]CC(F)(F)CC)s1 ZINC000623679899 369381525 /nfs/dbraw/zinc/38/15/25/369381525.db2.gz OOUFZXAMZSFIQX-UHFFFAOYSA-N 1 2 234.315 2.840 20 0 BFADLO CCOC1C[NH+](Cc2ccc(Cl)cc2C)C1 ZINC000459603035 203315276 /nfs/dbraw/zinc/31/52/76/203315276.db2.gz GNXVIWMKPPSTIT-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO COC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC000459585485 203307402 /nfs/dbraw/zinc/30/74/02/203307402.db2.gz RYKBZUVTICIDHZ-UHFFFAOYSA-N 1 2 233.336 2.732 20 0 BFADLO Cc1cc(C[NH+]2CC(OCC(F)F)C2)cs1 ZINC000459598310 203312461 /nfs/dbraw/zinc/31/24/61/203312461.db2.gz WFHJCQZWBADYFQ-UHFFFAOYSA-N 1 2 247.310 2.522 20 0 BFADLO CCOC1C[NH+](Cc2cc3cc(F)ccc3o2)C1 ZINC000459606077 203313663 /nfs/dbraw/zinc/31/36/63/203313663.db2.gz MEDHSRZWESQENQ-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO FC(F)n1ccc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000459559557 203301405 /nfs/dbraw/zinc/30/14/05/203301405.db2.gz KWFMPQCXJWHGAB-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000623679147 369378743 /nfs/dbraw/zinc/37/87/43/369378743.db2.gz JZYCCJWAYFIOCW-MRVPVSSYSA-N 1 2 232.249 2.917 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000623679287 369379153 /nfs/dbraw/zinc/37/91/53/369379153.db2.gz QGULQRWLXVLGTE-UHFFFAOYSA-N 1 2 245.317 2.907 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(OC)c(C)c2)C1 ZINC000459625871 203321799 /nfs/dbraw/zinc/32/17/99/203321799.db2.gz TZERXLOFGYCLRJ-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCC1(C)C[NH+](Cc2ncc(COC)s2)C1 ZINC000459629374 203322962 /nfs/dbraw/zinc/32/29/62/203322962.db2.gz DZPHPOIEAMBQIP-UHFFFAOYSA-N 1 2 240.372 2.521 20 0 BFADLO CCC1(C)C[NH+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000459632407 203324532 /nfs/dbraw/zinc/32/45/32/203324532.db2.gz JTQVVSDOVIJHPJ-UHFFFAOYSA-N 1 2 247.264 2.660 20 0 BFADLO CCC1(c2ccccc2)C[NH+](Cc2cocn2)C1 ZINC000459745626 203352635 /nfs/dbraw/zinc/35/26/35/203352635.db2.gz GXSKGWISCAILNT-UHFFFAOYSA-N 1 2 242.322 2.838 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccn(C)n1 ZINC000459797826 203373802 /nfs/dbraw/zinc/37/38/02/203373802.db2.gz SVSHNPJZPGCKDY-QWRGUYRKSA-N 1 2 247.317 2.971 20 0 BFADLO COC[C@@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631035092 370984720 /nfs/dbraw/zinc/98/47/20/370984720.db2.gz ZNJJWFXSVDVSRF-SNVBAGLBSA-N 1 2 216.284 2.682 20 0 BFADLO c1cc(CSc2[nH+]cc3ccccn32)on1 ZINC000060765863 369527085 /nfs/dbraw/zinc/52/70/85/369527085.db2.gz KWEONMBSMOEVLE-UHFFFAOYSA-N 1 2 231.280 2.615 20 0 BFADLO C[C@@H](c1ccccc1F)N(C)Cc1[nH]cc[nH+]1 ZINC000109831400 369544584 /nfs/dbraw/zinc/54/45/84/369544584.db2.gz LCKDDXWROOIBRS-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO CCCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCC1 ZINC000620602552 369950407 /nfs/dbraw/zinc/95/04/07/369950407.db2.gz AEWOGDXRCYFXOD-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO CC[C@@H]1CCC[C@H](C)N1C(=O)CCc1c[nH+]c[nH]1 ZINC000620577783 369935528 /nfs/dbraw/zinc/93/55/28/369935528.db2.gz NULQRQHKNNXSEJ-WCQYABFASA-N 1 2 249.358 2.522 20 0 BFADLO CC[C@@H]1CCC[C@H](C)N1C(=O)CCc1c[nH]c[nH+]1 ZINC000620577783 369935536 /nfs/dbraw/zinc/93/55/36/369935536.db2.gz NULQRQHKNNXSEJ-WCQYABFASA-N 1 2 249.358 2.522 20 0 BFADLO Cn1ncc2c1nc[nH+]c2SC1CC(C)(C)C1 ZINC000631007532 370209013 /nfs/dbraw/zinc/20/90/13/370209013.db2.gz OQZFNZKQXOFGHX-UHFFFAOYSA-N 1 2 248.355 2.644 20 0 BFADLO CCOc1cncc(C[N@H+](C)Cc2ccco2)c1 ZINC000621710074 370455450 /nfs/dbraw/zinc/45/54/50/370455450.db2.gz RIQQPARMFWRQRS-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CCOc1cncc(C[N@@H+](C)Cc2ccco2)c1 ZINC000621710074 370455455 /nfs/dbraw/zinc/45/54/55/370455455.db2.gz RIQQPARMFWRQRS-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Cc1nccnc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000621716494 370464269 /nfs/dbraw/zinc/46/42/69/370464269.db2.gz CCBGDRMIICCYAM-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1nccnc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000621716494 370464272 /nfs/dbraw/zinc/46/42/72/370464272.db2.gz CCBGDRMIICCYAM-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO COc1ccc(CNc2ccc(OC)c[nH+]2)cc1 ZINC000118607488 371038234 /nfs/dbraw/zinc/03/82/34/371038234.db2.gz JBCZJXBRAGMTQG-UHFFFAOYSA-N 1 2 244.294 2.711 20 0 BFADLO CCc1cc(NCC2CCSCC2)nc[nH+]1 ZINC000123516943 371079245 /nfs/dbraw/zinc/07/92/45/371079245.db2.gz LTCPAFHXVRSXGX-UHFFFAOYSA-N 1 2 237.372 2.594 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000623942728 371170092 /nfs/dbraw/zinc/17/00/92/371170092.db2.gz RLWPOJNRKFFWQD-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1[nH+]cccc1N[C@H](C)[C@@H]1CCCCO1 ZINC000623942731 371170191 /nfs/dbraw/zinc/17/01/91/371170191.db2.gz RLWPOJNRKFFWQD-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)c1ccoc1 ZINC000624147587 371341756 /nfs/dbraw/zinc/34/17/56/371341756.db2.gz FPWUVXWWLWPXEN-MRVPVSSYSA-N 1 2 203.232 2.976 20 0 BFADLO CCn1cc([C@H](C)[NH2+]CC(F)(F)CC)cn1 ZINC000624147643 371343431 /nfs/dbraw/zinc/34/34/31/371343431.db2.gz GUQKSEVSWYPLCZ-VIFPVBQESA-N 1 2 231.290 2.599 20 0 BFADLO COc1ccc[nH+]c1NCC[C@@]1(C)CC1(F)F ZINC000624399567 371499359 /nfs/dbraw/zinc/49/93/59/371499359.db2.gz PJFDUNADZPENCR-NSHDSACASA-N 1 2 242.269 2.938 20 0 BFADLO COc1ccc(N[C@@H](C)c2ccccn2)[nH+]c1 ZINC000226949551 371759343 /nfs/dbraw/zinc/75/93/43/371759343.db2.gz XOMFZCWFHFCLSJ-JTQLQIEISA-N 1 2 229.283 2.658 20 0 BFADLO CS[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000218958643 372174834 /nfs/dbraw/zinc/17/48/34/372174834.db2.gz ZJHWRILOEVYOJV-GHMZBOCLSA-N 1 2 237.372 2.871 20 0 BFADLO CCCCc1cc(N[C@@H]2CCO[C@H](C)C2)nc[nH+]1 ZINC000631188436 372223156 /nfs/dbraw/zinc/22/31/56/372223156.db2.gz ASUBIRDFLDMQEN-DGCLKSJQSA-N 1 2 249.358 2.799 20 0 BFADLO CCCCc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc[nH+]1 ZINC000631326870 372296391 /nfs/dbraw/zinc/29/63/91/372296391.db2.gz SIXYGPISBRPWMK-UPJWGTAASA-N 1 2 247.342 2.551 20 0 BFADLO OC[C@@H](Nc1cc2ccccc2c[nH+]1)C1CCC1 ZINC000631351251 372308089 /nfs/dbraw/zinc/30/80/89/372308089.db2.gz MHMZOBDBZZJHFQ-CQSZACIVSA-N 1 2 242.322 2.808 20 0 BFADLO CCCCc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)nc[nH+]1 ZINC000631465221 372378306 /nfs/dbraw/zinc/37/83/06/372378306.db2.gz JHBSFAKIICTKSW-NTZNESFSSA-N 1 2 249.358 2.797 20 0 BFADLO FC(F)C1([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631626487 372468206 /nfs/dbraw/zinc/46/82/06/372468206.db2.gz YOVHVQDZPZZAFL-LLVKDONJSA-N 1 2 238.281 2.846 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccn(C)n1 ZINC000631730590 372534918 /nfs/dbraw/zinc/53/49/18/372534918.db2.gz YPACSLHNLOQOFT-LBPRGKRZSA-N 1 2 233.315 2.562 20 0 BFADLO CCCO[C@H]1CCC[N@H+](CC(F)F)CC1 ZINC000171994418 372850658 /nfs/dbraw/zinc/85/06/58/372850658.db2.gz UNTXSQBWJPZUKO-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCCO[C@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000171994418 372850664 /nfs/dbraw/zinc/85/06/64/372850664.db2.gz UNTXSQBWJPZUKO-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Nc1[nH+]cccc1-c1ccc(Cl)cc1 ZINC000069841326 373852676 /nfs/dbraw/zinc/85/26/76/373852676.db2.gz OPTSHWJJRNKTHI-UHFFFAOYSA-N 1 2 204.660 2.984 20 0 BFADLO Cc1sccc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000634216584 374035339 /nfs/dbraw/zinc/03/53/39/374035339.db2.gz PLLFYDBQIQRIOF-VIFPVBQESA-N 1 2 249.339 2.843 20 0 BFADLO CCSCC[C@H](C)[N@H+](C)CC(F)F ZINC000174036496 374130954 /nfs/dbraw/zinc/13/09/54/374130954.db2.gz UPBIKGPKIUDTJW-QMMMGPOBSA-N 1 2 211.321 2.715 20 0 BFADLO CCSCC[C@H](C)[N@@H+](C)CC(F)F ZINC000174036496 374130961 /nfs/dbraw/zinc/13/09/61/374130961.db2.gz UPBIKGPKIUDTJW-QMMMGPOBSA-N 1 2 211.321 2.715 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1(CC(C)C)CC1 ZINC000440483464 206076666 /nfs/dbraw/zinc/07/66/66/206076666.db2.gz YHZKMVOUICSISG-UHFFFAOYSA-N 1 2 232.327 2.577 20 0 BFADLO CC[C@H](F)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440468056 206079086 /nfs/dbraw/zinc/07/90/86/206079086.db2.gz MRLVPIOFIZKIEA-LBPRGKRZSA-N 1 2 239.338 2.780 20 0 BFADLO CC[C@H](F)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440468056 206079089 /nfs/dbraw/zinc/07/90/89/206079089.db2.gz MRLVPIOFIZKIEA-LBPRGKRZSA-N 1 2 239.338 2.780 20 0 BFADLO CC(C)c1nc(N2C[C@@H](C)O[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000445672621 206086033 /nfs/dbraw/zinc/08/60/33/206086033.db2.gz BGSLLSQHYNXDBE-GRYCIOLGSA-N 1 2 249.358 2.602 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](F)C2)o1 ZINC000449390944 206096785 /nfs/dbraw/zinc/09/67/85/206096785.db2.gz XDRDKUMLXDAMDL-FOGDFJRCSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@@H](F)C2)o1 ZINC000449390944 206096789 /nfs/dbraw/zinc/09/67/89/206096789.db2.gz XDRDKUMLXDAMDL-FOGDFJRCSA-N 1 2 223.291 2.947 20 0 BFADLO O=C(Nc1cccc2[nH+]ccn21)c1ccccc1 ZINC000357436381 182374714 /nfs/dbraw/zinc/37/47/14/182374714.db2.gz FQEBRUBKAZTDPZ-UHFFFAOYSA-N 1 2 237.262 2.587 20 0 BFADLO OC1(CNc2[nH+]ccc3ccc(F)cc32)CCC1 ZINC000336243089 183022040 /nfs/dbraw/zinc/02/20/40/183022040.db2.gz MICIREIPHJJLBN-UHFFFAOYSA-N 1 2 246.285 2.701 20 0 BFADLO OCC[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000265826427 183096850 /nfs/dbraw/zinc/09/68/50/183096850.db2.gz JIZVFMVHZJODQA-CQSZACIVSA-N 1 2 242.322 2.660 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000373105604 169026768 /nfs/dbraw/zinc/02/67/68/169026768.db2.gz YOROVASAGWFLTO-UHFFFAOYSA-N 1 2 249.358 2.931 20 0 BFADLO CCCCc1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000373105604 169026771 /nfs/dbraw/zinc/02/67/71/169026771.db2.gz YOROVASAGWFLTO-UHFFFAOYSA-N 1 2 249.358 2.931 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](O)CCC(C)C ZINC000361270951 169109196 /nfs/dbraw/zinc/10/91/96/169109196.db2.gz DWKNACDXLPAJRV-NSHDSACASA-N 1 2 237.334 2.761 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](O)CCC(C)C ZINC000361270951 169109198 /nfs/dbraw/zinc/10/91/98/169109198.db2.gz DWKNACDXLPAJRV-NSHDSACASA-N 1 2 237.334 2.761 20 0 BFADLO CCC[NH+](CCC)Cc1noc(C(C)C)n1 ZINC000097079026 169150136 /nfs/dbraw/zinc/15/01/36/169150136.db2.gz NEAGMKFZVHVART-UHFFFAOYSA-N 1 2 225.336 2.815 20 0 BFADLO CCCN(CC)c1[nH+]c2ccccc2n1C ZINC000357542646 169134121 /nfs/dbraw/zinc/13/41/21/169134121.db2.gz WIOYKFVNYFMXLS-UHFFFAOYSA-N 1 2 217.316 2.810 20 0 BFADLO Oc1ccc(F)c(C[NH+]2CCCCC2)c1F ZINC000294180302 183274076 /nfs/dbraw/zinc/27/40/76/183274076.db2.gz JRKUAEBINDTOSC-UHFFFAOYSA-N 1 2 227.254 2.656 20 0 BFADLO c1c[nH]c(CNc2ccc([NH+]3CCCC3)cc2)n1 ZINC000049715286 183324397 /nfs/dbraw/zinc/32/43/97/183324397.db2.gz XBWUYAZKGVKDLB-UHFFFAOYSA-N 1 2 242.326 2.622 20 0 BFADLO c1c[nH+]c(CNc2ccc3c(c2)CCC3)[nH]1 ZINC000049714539 183324557 /nfs/dbraw/zinc/32/45/57/183324557.db2.gz GWKISTURBUVBAE-UHFFFAOYSA-N 1 2 213.284 2.511 20 0 BFADLO c1cc(C[NH2+]Cc2noc3c2CCCC3)cs1 ZINC000367967774 183352762 /nfs/dbraw/zinc/35/27/62/183352762.db2.gz IQTMAJOIBNDIRA-UHFFFAOYSA-N 1 2 248.351 2.905 20 0 BFADLO c1cc(NCC[C@@H]2CCCCO2)nc(C2CC2)[nH+]1 ZINC000272405903 183357066 /nfs/dbraw/zinc/35/70/66/183357066.db2.gz KRVCRJLRCATUOH-LBPRGKRZSA-N 1 2 247.342 2.725 20 0 BFADLO c1c[nH+]c(CNc2cccc(-c3cnco3)c2)[nH]1 ZINC000049715556 183358540 /nfs/dbraw/zinc/35/85/40/183358540.db2.gz KOTUQDWJOSEHDA-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO c1cc(NCC23CCC(CC2)C3)nc(C2CC2)[nH+]1 ZINC000339703667 183334856 /nfs/dbraw/zinc/33/48/56/183334856.db2.gz ZBNDZQHOGOTPNV-UHFFFAOYSA-N 1 2 243.354 2.768 20 0 BFADLO c1cc2[nH+]ccc(N3C[C@H]4CCC[C@@H]4C3)c2cn1 ZINC000268275348 183377724 /nfs/dbraw/zinc/37/77/24/183377724.db2.gz VBJHMEPUGLWBMP-VXGBXAGGSA-N 1 2 239.322 2.866 20 0 BFADLO c1cc(C[NH2+]C2(c3ccccc3)CCCC2)[nH]n1 ZINC000113958375 183389232 /nfs/dbraw/zinc/38/92/32/183389232.db2.gz IEKYQCHHYAVCAJ-UHFFFAOYSA-N 1 2 241.338 2.969 20 0 BFADLO c1cc([C@H]2CCCC[N@H+]2Cc2ccccn2)n[nH]1 ZINC000285314008 183395980 /nfs/dbraw/zinc/39/59/80/183395980.db2.gz IHCTWHJSYKQXNF-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO c1cc([C@H]2CCCC[N@@H+]2Cc2ccccn2)n[nH]1 ZINC000285314008 183395983 /nfs/dbraw/zinc/39/59/83/183395983.db2.gz IHCTWHJSYKQXNF-CQSZACIVSA-N 1 2 242.326 2.532 20 0 BFADLO CCCO[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000108350623 169312515 /nfs/dbraw/zinc/31/25/15/169312515.db2.gz LXFJIGLLCXEYOZ-CYBMUJFWSA-N 1 2 234.343 2.867 20 0 BFADLO CCCOc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000051785550 169319909 /nfs/dbraw/zinc/31/99/09/169319909.db2.gz YIKOUCHAYWQISN-UHFFFAOYSA-N 1 2 231.299 2.811 20 0 BFADLO CCC[C@@](C)(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000355988589 169446402 /nfs/dbraw/zinc/44/64/02/169446402.db2.gz OKDHFEMANXKDQF-CQSZACIVSA-N 1 2 234.343 2.967 20 0 BFADLO COCCSCc1ccc(C)[nH+]c1C ZINC000184811635 134369183 /nfs/dbraw/zinc/36/91/83/134369183.db2.gz CRMFYCUKAHZJKN-UHFFFAOYSA-N 1 2 211.330 2.578 20 0 BFADLO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1Cl ZINC000112337775 383915762 /nfs/dbraw/zinc/91/57/62/383915762.db2.gz QCUYDSXWACOICY-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(Cl)c1 ZINC000036900140 383916229 /nfs/dbraw/zinc/91/62/29/383916229.db2.gz AXOICJKPRAGXMI-SECBINFHSA-N 1 2 235.718 2.914 20 0 BFADLO Cc1nc(N2C[C@@H](C)C(F)(F)[C@H](C)C2)cc[nH+]1 ZINC000624445269 383900923 /nfs/dbraw/zinc/90/09/23/383900923.db2.gz CTXPABOQDQMNDN-RKDXNWHRSA-N 1 2 241.285 2.513 20 0 BFADLO CC1(C)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000112695701 383941276 /nfs/dbraw/zinc/94/12/76/383941276.db2.gz DDAGSHBZOLSHOY-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccccn1)C(F)F ZINC000449358928 383970347 /nfs/dbraw/zinc/97/03/47/383970347.db2.gz GVQYEMUHVPHJAC-RKDXNWHRSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1c(F)cccc1F ZINC000037771912 384013182 /nfs/dbraw/zinc/01/31/82/384013182.db2.gz FTKWCUPEAIKOSG-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO O=C(CCC1CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000115352143 384077115 /nfs/dbraw/zinc/07/71/15/384077115.db2.gz ARUIAIHJKANUDT-LBPRGKRZSA-N 1 2 247.342 2.654 20 0 BFADLO Cc1cc(C)cc(C[NH2+]C(CF)CF)c1 ZINC000449380953 384099230 /nfs/dbraw/zinc/09/92/30/384099230.db2.gz PRDWWYKRPAJQMR-UHFFFAOYSA-N 1 2 213.271 2.701 20 0 BFADLO CC(C)c1nc(N[C@@H]2[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000309504426 384114895 /nfs/dbraw/zinc/11/48/95/384114895.db2.gz BPBWRHOGZGRXNN-PEGIJTEDSA-N 1 2 217.316 2.810 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(O)c1)c1nccs1 ZINC000070650481 384130135 /nfs/dbraw/zinc/13/01/35/384130135.db2.gz IVMOABGNMRSDOE-SECBINFHSA-N 1 2 234.324 2.700 20 0 BFADLO CC[C@@H](NC(=O)CC1CCCC1)c1[nH]cc[nH+]1 ZINC000140527289 384131480 /nfs/dbraw/zinc/13/14/80/384131480.db2.gz CKZOBUSUFGXWPJ-LLVKDONJSA-N 1 2 235.331 2.557 20 0 BFADLO CC(C)([NH2+]Cc1ccccn1)c1nccs1 ZINC000116380791 384131897 /nfs/dbraw/zinc/13/18/97/384131897.db2.gz UBKYNWNPEUVMFO-UHFFFAOYSA-N 1 2 233.340 2.563 20 0 BFADLO CC[C@H](NC(=O)CCC1CCCC1)c1[nH]cc[nH+]1 ZINC000140519982 384146851 /nfs/dbraw/zinc/14/68/51/384146851.db2.gz BDRHGJKJMJMHHF-LBPRGKRZSA-N 1 2 249.358 2.947 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cncs1 ZINC000092438491 384179976 /nfs/dbraw/zinc/17/99/76/384179976.db2.gz IAHQUPYCFOAPEK-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cncs1 ZINC000092438491 384179982 /nfs/dbraw/zinc/17/99/82/384179982.db2.gz IAHQUPYCFOAPEK-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000336256775 384189297 /nfs/dbraw/zinc/18/92/97/384189297.db2.gz MWVXOMLYVAWTNT-MRVPVSSYSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CC1CC(F)(F)C1 ZINC000336256775 384189301 /nfs/dbraw/zinc/18/93/01/384189301.db2.gz MWVXOMLYVAWTNT-MRVPVSSYSA-N 1 2 225.229 2.761 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccsc1 ZINC000050344176 384193936 /nfs/dbraw/zinc/19/39/36/384193936.db2.gz SGILVGGKGKFDOU-QMMMGPOBSA-N 1 2 221.329 2.630 20 0 BFADLO C[C@@H]1[C@H](C)SCCN1c1cc[nH+]c(C2CC2)n1 ZINC000118385705 384199615 /nfs/dbraw/zinc/19/96/15/384199615.db2.gz IBWFWROVLIDZJQ-ZJUUUORDSA-N 1 2 249.383 2.684 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2C2CC2)no1 ZINC000363384683 384237526 /nfs/dbraw/zinc/23/75/26/384237526.db2.gz OBGRLLJMJAGIMN-LLVKDONJSA-N 1 2 249.358 2.742 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2C2CC2)no1 ZINC000363384683 384237530 /nfs/dbraw/zinc/23/75/30/384237530.db2.gz OBGRLLJMJAGIMN-LLVKDONJSA-N 1 2 249.358 2.742 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCC[C@H](C)C2)no1 ZINC000359532766 384238537 /nfs/dbraw/zinc/23/85/37/384238537.db2.gz UQNWZKKOOPAQJX-JQWIXIFHSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCC[C@H](C)C2)no1 ZINC000359532766 384238541 /nfs/dbraw/zinc/23/85/41/384238541.db2.gz UQNWZKKOOPAQJX-JQWIXIFHSA-N 1 2 237.347 2.636 20 0 BFADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cnc[nH]1 ZINC000093149453 384217394 /nfs/dbraw/zinc/21/73/94/384217394.db2.gz YXILNXPVTPIEEQ-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc[nH]1 ZINC000093149453 384217398 /nfs/dbraw/zinc/21/73/98/384217398.db2.gz YXILNXPVTPIEEQ-NSHDSACASA-N 1 2 227.311 2.529 20 0 BFADLO CCc1nc([C@H](C)[N@@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115264 384227817 /nfs/dbraw/zinc/22/78/17/384227817.db2.gz MRXVUTSSFAUWBY-NSHDSACASA-N 1 2 248.374 2.694 20 0 BFADLO CCc1nc([C@H](C)[N@H+]2CCCC3(CC3)CC2)n[nH]1 ZINC000626115264 384227823 /nfs/dbraw/zinc/22/78/23/384227823.db2.gz MRXVUTSSFAUWBY-NSHDSACASA-N 1 2 248.374 2.694 20 0 BFADLO CC(C)N(Cc1[nH+]ccn1C)c1ccccc1 ZINC000119339205 384260921 /nfs/dbraw/zinc/26/09/21/384260921.db2.gz HCMPCLBXHSNEEH-UHFFFAOYSA-N 1 2 229.327 2.835 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000119383738 384265052 /nfs/dbraw/zinc/26/50/52/384265052.db2.gz CLNQMHKMQHQTAL-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000119383738 384265057 /nfs/dbraw/zinc/26/50/57/384265057.db2.gz CLNQMHKMQHQTAL-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@H]1CF ZINC000292717334 384277935 /nfs/dbraw/zinc/27/79/35/384277935.db2.gz HDNTUJNAWBRJGI-JTQLQIEISA-N 1 2 233.290 2.512 20 0 BFADLO C[C@@H](NC(=O)CCCC1CCCC1)c1[nH]cc[nH+]1 ZINC000560700557 384309160 /nfs/dbraw/zinc/30/91/60/384309160.db2.gz SMZNLNURWPTVOO-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO CSc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147368686 384290722 /nfs/dbraw/zinc/29/07/22/384290722.db2.gz JBRGTEUQNWQXDT-UHFFFAOYSA-N 1 2 217.284 2.763 20 0 BFADLO CC(C)c1nc(N[C@@H]2CC[C@@H]2C)cc[nH+]1 ZINC000308838540 384342180 /nfs/dbraw/zinc/34/21/80/384342180.db2.gz JFIOHCJMZDDCPI-VHSXEESVSA-N 1 2 205.305 2.810 20 0 BFADLO CC[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)OC ZINC000134975586 384403401 /nfs/dbraw/zinc/40/34/01/384403401.db2.gz OPURDAUGKCRONF-JSGCOSHPSA-N 1 2 249.354 2.721 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC=CCC1 ZINC000121579164 384426983 /nfs/dbraw/zinc/42/69/83/384426983.db2.gz MVALJRWUUHDTJZ-GFCCVEGCSA-N 1 2 245.326 2.868 20 0 BFADLO Cc1ccc(N[C@H]2CCCSC2)c[nH+]1 ZINC000096033368 384424812 /nfs/dbraw/zinc/42/48/12/384424812.db2.gz ZRPYIWKXKWMRRU-NSHDSACASA-N 1 2 208.330 2.698 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CC(C)C ZINC000120782866 384379700 /nfs/dbraw/zinc/37/97/00/384379700.db2.gz PPNIOQKSINQQGQ-NSHDSACASA-N 1 2 235.331 2.946 20 0 BFADLO CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1COC1 ZINC000449428211 384379801 /nfs/dbraw/zinc/37/98/01/384379801.db2.gz UTWYCSPCKJDXBH-GWCFXTLKSA-N 1 2 235.327 2.624 20 0 BFADLO CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1COC1 ZINC000449428211 384379805 /nfs/dbraw/zinc/37/98/05/384379805.db2.gz UTWYCSPCKJDXBH-GWCFXTLKSA-N 1 2 235.327 2.624 20 0 BFADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000076149737 384445461 /nfs/dbraw/zinc/44/54/61/384445461.db2.gz DWKONOBOGMZCKN-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)CC[C@H]2C)no1 ZINC000076149737 384445465 /nfs/dbraw/zinc/44/54/65/384445465.db2.gz DWKONOBOGMZCKN-WDEREUQCSA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3F)no1 ZINC000147638683 384454077 /nfs/dbraw/zinc/45/40/77/384454077.db2.gz IRQOVDINMNBOCU-CQSZACIVSA-N 1 2 246.285 2.899 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC[C@H]1CC=CCC1 ZINC000121579021 384427769 /nfs/dbraw/zinc/42/77/69/384427769.db2.gz MVALJRWUUHDTJZ-LBPRGKRZSA-N 1 2 245.326 2.868 20 0 BFADLO COC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000078047574 384428061 /nfs/dbraw/zinc/42/80/61/384428061.db2.gz KPQRJVGNOBTRLA-ZDUSSCGKSA-N 1 2 235.327 2.536 20 0 BFADLO CS[C@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000078267232 384436232 /nfs/dbraw/zinc/43/62/32/384436232.db2.gz LCTJLCUGHWLDOO-QWRGUYRKSA-N 1 2 237.372 2.871 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)cn1 ZINC000161156994 384469583 /nfs/dbraw/zinc/46/95/83/384469583.db2.gz GVOHJFAVBSFKIP-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Fc1ccc(C[N@H+](Cc2ccon2)C2CC2)cc1 ZINC000122561688 384491922 /nfs/dbraw/zinc/49/19/22/384491922.db2.gz NJHQGAGQAAWZKV-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccc(C[N@@H+](Cc2ccon2)C2CC2)cc1 ZINC000122561688 384491927 /nfs/dbraw/zinc/49/19/27/384491927.db2.gz NJHQGAGQAAWZKV-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Cc1c(F)c(F)ccc1NCc1cn(C)c[nH+]1 ZINC000642892375 384545083 /nfs/dbraw/zinc/54/50/83/384545083.db2.gz SSDFOAHYMQCXFA-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO CC(C)(C)C[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000172239729 384552617 /nfs/dbraw/zinc/55/26/17/384552617.db2.gz BLVLSMIRBHBYLB-LLVKDONJSA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@H]1CCOC1 ZINC000309711467 384553497 /nfs/dbraw/zinc/55/34/97/384553497.db2.gz QUMZIVTWJRXKCK-GUBZILKMSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1ccc(NCc2[nH]cc[nH+]2)cc1C ZINC000049714558 384555990 /nfs/dbraw/zinc/55/59/90/384555990.db2.gz LGSBTSJIWWUOOW-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO CCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714581 384556982 /nfs/dbraw/zinc/55/69/82/384556982.db2.gz RCANIGGDFLJPDK-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1F ZINC000517947545 384590533 /nfs/dbraw/zinc/59/05/33/384590533.db2.gz KIHYDBMKLAWCRD-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1F ZINC000517947545 384590539 /nfs/dbraw/zinc/59/05/39/384590539.db2.gz KIHYDBMKLAWCRD-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)[C@H]1C ZINC000293016265 384578989 /nfs/dbraw/zinc/57/89/89/384578989.db2.gz OLMSOHPICXDAFI-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)[C@H]1C ZINC000293016265 384578999 /nfs/dbraw/zinc/57/89/99/384578999.db2.gz OLMSOHPICXDAFI-RQJHMYQMSA-N 1 2 216.737 2.637 20 0 BFADLO C[N@@H+](Cc1nccs1)C[C@@H]1CCC(C)(C)O1 ZINC000184660716 384633951 /nfs/dbraw/zinc/63/39/51/384633951.db2.gz DFSVLDMOUANGJQ-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CC1(C)C[N@H+](CC2(F)CC2)[C@@H]1c1ccncc1 ZINC000556889203 384609559 /nfs/dbraw/zinc/60/95/59/384609559.db2.gz ISEGWHZTYORRLZ-GFCCVEGCSA-N 1 2 234.318 2.967 20 0 BFADLO CC1(C)C[N@@H+](CC2(F)CC2)[C@@H]1c1ccncc1 ZINC000556889203 384609565 /nfs/dbraw/zinc/60/95/65/384609565.db2.gz ISEGWHZTYORRLZ-GFCCVEGCSA-N 1 2 234.318 2.967 20 0 BFADLO C[N@H+](Cc1nccs1)C[C@@H]1CCC(C)(C)O1 ZINC000184660716 384633955 /nfs/dbraw/zinc/63/39/55/384633955.db2.gz DFSVLDMOUANGJQ-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CC/C=C/CC[N@H+](CCOC)CC(F)F ZINC000184512577 384614857 /nfs/dbraw/zinc/61/48/57/384614857.db2.gz DVGFOBDRLGOMQU-SNAWJCMRSA-N 1 2 221.291 2.556 20 0 BFADLO CC/C=C/CC[N@@H+](CCOC)CC(F)F ZINC000184512577 384614865 /nfs/dbraw/zinc/61/48/65/384614865.db2.gz DVGFOBDRLGOMQU-SNAWJCMRSA-N 1 2 221.291 2.556 20 0 BFADLO CC(C)([NH2+]Cc1ccn[nH]1)c1cccc(F)c1 ZINC000124669350 384666634 /nfs/dbraw/zinc/66/66/34/384666634.db2.gz ADQNZTCZDKKNEG-UHFFFAOYSA-N 1 2 233.290 2.574 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000162739842 384674527 /nfs/dbraw/zinc/67/45/27/384674527.db2.gz OCRZCBBQJCCDFA-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000162739842 384674532 /nfs/dbraw/zinc/67/45/32/384674532.db2.gz OCRZCBBQJCCDFA-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO C[N@H+](CCCOc1ccc(F)cc1)CC(F)F ZINC000103488988 384636794 /nfs/dbraw/zinc/63/67/94/384636794.db2.gz UXYDZOFFANPHIW-UHFFFAOYSA-N 1 2 247.260 2.792 20 0 BFADLO C[N@@H+](CCCOc1ccc(F)cc1)CC(F)F ZINC000103488988 384636801 /nfs/dbraw/zinc/63/68/01/384636801.db2.gz UXYDZOFFANPHIW-UHFFFAOYSA-N 1 2 247.260 2.792 20 0 BFADLO CC(C)[C@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184704687 384638400 /nfs/dbraw/zinc/63/84/00/384638400.db2.gz WBEKKZOQOORHQP-LBPRGKRZSA-N 1 2 243.297 2.601 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)CO)c1cccc(Cl)c1 ZINC000184715823 384638599 /nfs/dbraw/zinc/63/85/99/384638599.db2.gz QGBSGOMHKWIAMX-MRVPVSSYSA-N 1 2 249.688 2.618 20 0 BFADLO CC(C)[C@@H]([NH2+]CC(F)(F)CO)c1ccccc1 ZINC000184704708 384640692 /nfs/dbraw/zinc/64/06/92/384640692.db2.gz WBEKKZOQOORHQP-GFCCVEGCSA-N 1 2 243.297 2.601 20 0 BFADLO Cc1ccc(Cl)c(NCc2c[nH+]cn2C)c1 ZINC000124456415 384641685 /nfs/dbraw/zinc/64/16/85/384641685.db2.gz IGVQRQJCVXMEMY-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)s1 ZINC000336655457 384645480 /nfs/dbraw/zinc/64/54/80/384645480.db2.gz NUXFMIUJOBAPKE-UHFFFAOYSA-N 1 2 217.284 2.944 20 0 BFADLO Fc1cccc(-c2nc(Cn3cc[nH+]c3)co2)c1 ZINC000115533454 384677581 /nfs/dbraw/zinc/67/75/81/384677581.db2.gz PODVGGBXDTYEKR-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO CSc1ccc(NCC[C@H]2CCOC2)[nH+]c1 ZINC000309872627 384680364 /nfs/dbraw/zinc/68/03/64/384680364.db2.gz RGXAXZORZNPSEK-JTQLQIEISA-N 1 2 238.356 2.642 20 0 BFADLO Cc1cc[nH+]c(NCCOCC2CC2)c1Cl ZINC000309877552 384685389 /nfs/dbraw/zinc/68/53/89/384685389.db2.gz UAKGMRNJZRKXBB-UHFFFAOYSA-N 1 2 240.734 2.882 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cn1 ZINC000294259323 384704327 /nfs/dbraw/zinc/70/43/27/384704327.db2.gz XEJSQKQOJFQARH-ZYHUDNBSSA-N 1 2 228.299 2.704 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CCOC2)c(C)[nH+]1 ZINC000162948247 384707747 /nfs/dbraw/zinc/70/77/47/384707747.db2.gz XRSNSMGRGYHKSL-ZYHUDNBSSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000185345253 384708709 /nfs/dbraw/zinc/70/87/09/384708709.db2.gz OVDSDKZWAPMSPC-QWRGUYRKSA-N 1 2 218.300 2.621 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030426 384721416 /nfs/dbraw/zinc/72/14/16/384721416.db2.gz JMELGJUOCXUJFG-WDEREUQCSA-N 1 2 222.332 2.588 20 0 BFADLO CCO[C@H](CCNc1cc[nH+]c(C)n1)C(C)C ZINC000173918575 384736196 /nfs/dbraw/zinc/73/61/96/384736196.db2.gz MAECWEXFQPRFMO-GFCCVEGCSA-N 1 2 237.347 2.648 20 0 BFADLO Cc1cc[nH+]c(NC[C@H](C)C[C@H](C)O)c1Cl ZINC000309987493 384767237 /nfs/dbraw/zinc/76/72/37/384767237.db2.gz ZBBQPDKMYORMAD-SCZZXKLOSA-N 1 2 242.750 2.862 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccs2)o1 ZINC000171973920 384835819 /nfs/dbraw/zinc/83/58/19/384835819.db2.gz ASTATKZKTXPZLG-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000053422769 384785432 /nfs/dbraw/zinc/78/54/32/384785432.db2.gz HMYAKHIVMGIUHC-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000053422769 384785440 /nfs/dbraw/zinc/78/54/40/384785440.db2.gz HMYAKHIVMGIUHC-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1ccc(N[C@H]2CSC[C@H]2C)c[nH+]1 ZINC000295871533 384798979 /nfs/dbraw/zinc/79/89/79/384798979.db2.gz XKIACBVYEPRGKZ-KCJUWKMLSA-N 1 2 208.330 2.553 20 0 BFADLO CC(=O)[C@H](C)SCc1cn2ccccc2[nH+]1 ZINC000175194998 384879777 /nfs/dbraw/zinc/87/97/77/384879777.db2.gz LVENJUFDESPEFC-JTQLQIEISA-N 1 2 234.324 2.545 20 0 BFADLO CC(C)(C)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000200453302 384883714 /nfs/dbraw/zinc/88/37/14/384883714.db2.gz DMSJIBLGTSQBMV-UHFFFAOYSA-N 1 2 243.310 2.605 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1csnn1 ZINC000398285882 384886925 /nfs/dbraw/zinc/88/69/25/384886925.db2.gz NLLHBMABKJAKCD-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(F)c(F)c1 ZINC000054764294 384849225 /nfs/dbraw/zinc/84/92/25/384849225.db2.gz KBRBGKWSUAMFDR-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000186531653 384850800 /nfs/dbraw/zinc/85/08/00/384850800.db2.gz SQFQDZZEQZGVCV-MNOVXSKESA-N 1 2 235.283 2.647 20 0 BFADLO Fc1ccc(C[NH+]2CCSCC2)c(F)c1 ZINC000084860968 384902703 /nfs/dbraw/zinc/90/27/03/384902703.db2.gz LOFBKXBPBRFIFC-UHFFFAOYSA-N 1 2 229.295 2.514 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1F)c1csnn1 ZINC000398310530 384903894 /nfs/dbraw/zinc/90/38/94/384903894.db2.gz YUUMBIBAWJURHY-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccc(C)c(NCc2c[nH+]cn2C)c1 ZINC000085167754 384923618 /nfs/dbraw/zinc/92/36/18/384923618.db2.gz GZJDOARHBBBRBZ-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO CSc1ccccc1NCc1c[nH+]cn1C ZINC000085168315 384923936 /nfs/dbraw/zinc/92/39/36/384923936.db2.gz CMOAWPLSCNLYAL-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO FC(F)C[N@H+](CCc1ccccc1)C1CC1 ZINC000106872270 384936860 /nfs/dbraw/zinc/93/68/60/384936860.db2.gz RPWVRMCITAYAIR-UHFFFAOYSA-N 1 2 225.282 2.959 20 0 BFADLO FC(F)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000106872270 384936865 /nfs/dbraw/zinc/93/68/65/384936865.db2.gz RPWVRMCITAYAIR-UHFFFAOYSA-N 1 2 225.282 2.959 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2ccoc2)n1 ZINC000087289950 384941119 /nfs/dbraw/zinc/94/11/19/384941119.db2.gz KEBKOTMYGDHSES-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO C[C@H](F)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000338749656 384945351 /nfs/dbraw/zinc/94/53/51/384945351.db2.gz JMSZZOQPBKLCDP-ZETCQYMHSA-N 1 2 236.212 2.682 20 0 BFADLO C[C@@H](F)CCNc1ccc2ccccc2[nH+]1 ZINC000338756847 384947729 /nfs/dbraw/zinc/94/77/29/384947729.db2.gz SBRNMUXNMJFONY-SNVBAGLBSA-N 1 2 218.275 2.817 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2conc2C)n1 ZINC000339225868 384976363 /nfs/dbraw/zinc/97/63/63/384976363.db2.gz PPEKMVMGLGHFSX-VIFPVBQESA-N 1 2 237.328 2.599 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000094124932 384976459 /nfs/dbraw/zinc/97/64/59/384976459.db2.gz QCRYWKVEFSPHKP-QWRGUYRKSA-N 1 2 248.326 2.532 20 0 BFADLO Cc1cc[nH+]c(NCC2CC2)c1Br ZINC000235931563 384988625 /nfs/dbraw/zinc/98/86/25/384988625.db2.gz OGXPAQVOZZHHKF-UHFFFAOYSA-N 1 2 241.132 2.974 20 0 BFADLO C[C@H]([NH2+]Cc1nccs1)c1cncc(F)c1 ZINC000128206253 385014477 /nfs/dbraw/zinc/01/44/77/385014477.db2.gz GRJAGYIILWLSPR-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CC=CCC1 ZINC000107294378 384962175 /nfs/dbraw/zinc/96/21/75/384962175.db2.gz ONJFHSNUQOMIAM-NSHDSACASA-N 1 2 216.284 2.685 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC(C)(C)C ZINC000107289588 384962854 /nfs/dbraw/zinc/96/28/54/384962854.db2.gz CVQXGPHCZIRSJM-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO CCOc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000164898606 385052966 /nfs/dbraw/zinc/05/29/66/385052966.db2.gz KHLZIFYQHAWCSR-NEPJUHHUSA-N 1 2 235.327 2.922 20 0 BFADLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC000130702929 385055238 /nfs/dbraw/zinc/05/52/38/385055238.db2.gz XJKJCTIUNXGKIO-BREXMAIKSA-N 1 2 245.750 2.545 20 0 BFADLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C/C=C/Cl ZINC000130702929 385055243 /nfs/dbraw/zinc/05/52/43/385055243.db2.gz XJKJCTIUNXGKIO-BREXMAIKSA-N 1 2 245.750 2.545 20 0 BFADLO CC[C@@H](F)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336657738 385057990 /nfs/dbraw/zinc/05/79/90/385057990.db2.gz PUPLOSLENFAJHI-IONNQARKSA-N 1 2 216.325 2.850 20 0 BFADLO FC1(F)CCC[C@@H]1CNc1cccc[nH+]1 ZINC000336232745 385058430 /nfs/dbraw/zinc/05/84/30/385058430.db2.gz OFIGGHYIUPYRAD-SECBINFHSA-N 1 2 212.243 2.929 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccccc2F)s1 ZINC000164837069 385045202 /nfs/dbraw/zinc/04/52/02/385045202.db2.gz BWKFONCXHLYPKG-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO CC[C@H](C)C[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000177859769 385130294 /nfs/dbraw/zinc/13/02/94/385130294.db2.gz WGEGLBHFLKCKDF-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@H](C)C[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000177859769 385130306 /nfs/dbraw/zinc/13/03/06/385130306.db2.gz WGEGLBHFLKCKDF-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644717110 385135515 /nfs/dbraw/zinc/13/55/15/385135515.db2.gz GIZPLBSJYRRBKA-LSDHHAIUSA-N 1 2 231.339 2.783 20 0 BFADLO CC(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644717110 385135520 /nfs/dbraw/zinc/13/55/20/385135520.db2.gz GIZPLBSJYRRBKA-LSDHHAIUSA-N 1 2 231.339 2.783 20 0 BFADLO Cc1cc(Cl)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717126 385136326 /nfs/dbraw/zinc/13/63/26/385136326.db2.gz LTWZRBDMVCYHIX-QWHCGFSZSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1cc(Cl)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000644717126 385136332 /nfs/dbraw/zinc/13/63/32/385136332.db2.gz LTWZRBDMVCYHIX-QWHCGFSZSA-N 1 2 237.730 2.622 20 0 BFADLO O=C(C=C1CCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000087223364 385085394 /nfs/dbraw/zinc/08/53/94/385085394.db2.gz OZWFSQNBBOLYGL-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000176735831 385141255 /nfs/dbraw/zinc/14/12/55/385141255.db2.gz QDSBODJSAKEDOF-CABZTGNLSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1ccc(NC(=O)N[C@H](C)C2CC2)c(C)[nH+]1 ZINC000176723795 385141295 /nfs/dbraw/zinc/14/12/95/385141295.db2.gz FDPDEMJOEQNULG-SECBINFHSA-N 1 2 233.315 2.618 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000152038098 385149755 /nfs/dbraw/zinc/14/97/55/385149755.db2.gz LHUKOIPHWAVLTE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000152038098 385149756 /nfs/dbraw/zinc/14/97/56/385149756.db2.gz LHUKOIPHWAVLTE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cccnc2)[nH]1 ZINC000152038098 385149758 /nfs/dbraw/zinc/14/97/58/385149758.db2.gz LHUKOIPHWAVLTE-ZDUSSCGKSA-N 1 2 242.326 2.532 20 0 BFADLO Cc1cc(N2CCCCC2)nc(C2CC2)[nH+]1 ZINC000110099097 385210754 /nfs/dbraw/zinc/21/07/54/385210754.db2.gz KUXRNLJMVAMUCH-UHFFFAOYSA-N 1 2 217.316 2.653 20 0 BFADLO CCCCN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000110111893 385211480 /nfs/dbraw/zinc/21/14/80/385211480.db2.gz KZIBQQQKCRJBHJ-UHFFFAOYSA-N 1 2 219.332 2.980 20 0 BFADLO CCN(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000130114960 385217649 /nfs/dbraw/zinc/21/76/49/385217649.db2.gz GAIFBQVXEYJMHF-UHFFFAOYSA-N 1 2 221.304 2.572 20 0 BFADLO c1ccc(N(Cc2cccnc2)C2CC2)[nH+]c1 ZINC000153168734 385240373 /nfs/dbraw/zinc/24/03/73/385240373.db2.gz HACGDOFFQLGYFT-UHFFFAOYSA-N 1 2 225.295 2.646 20 0 BFADLO Cc1ccc2c(c1)CCCN2Cc1c[nH+]cn1C ZINC000177231698 385203563 /nfs/dbraw/zinc/20/35/63/385203563.db2.gz DMQIFULGHISUHZ-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO CSc1ccc(N[C@H]2CCOC[C@@H]2C)[nH+]c1 ZINC000280436096 385309741 /nfs/dbraw/zinc/30/97/41/385309741.db2.gz XWDNGRRHICQYQB-ONGXEEELSA-N 1 2 238.356 2.640 20 0 BFADLO CC1(C)CCCC[C@H]1CC(=O)NCc1[nH]cc[nH+]1 ZINC000131154929 385314514 /nfs/dbraw/zinc/31/45/14/385314514.db2.gz QCTZPLGBNOQLQL-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO CCc1cc(N)nc(SCC=C(C)C)[nH+]1 ZINC000330363808 385261719 /nfs/dbraw/zinc/26/17/19/385261719.db2.gz UEVCPHJLIRFQIV-UHFFFAOYSA-N 1 2 223.345 2.510 20 0 BFADLO COC[C@@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000153616290 385268560 /nfs/dbraw/zinc/26/85/60/385268560.db2.gz IBWBWPATWIZKMW-LLVKDONJSA-N 1 2 234.343 2.516 20 0 BFADLO COC[C@@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000153616290 385268562 /nfs/dbraw/zinc/26/85/62/385268562.db2.gz IBWBWPATWIZKMW-LLVKDONJSA-N 1 2 234.343 2.516 20 0 BFADLO COc1ccc([C@@H](C)[N@H+](C)Cc2cocn2)cc1 ZINC000191925005 385335186 /nfs/dbraw/zinc/33/51/86/385335186.db2.gz STICRZWNDMXAAL-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccc([C@@H](C)[N@@H+](C)Cc2cocn2)cc1 ZINC000191925005 385335189 /nfs/dbraw/zinc/33/51/89/385335189.db2.gz STICRZWNDMXAAL-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)c[nH+]1 ZINC000407998372 385345007 /nfs/dbraw/zinc/34/50/07/385345007.db2.gz QZMWLJCRWJJFLG-ONGXEEELSA-N 1 2 249.358 2.663 20 0 BFADLO CCCC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000131948450 385369125 /nfs/dbraw/zinc/36/91/25/385369125.db2.gz HWNYMZMVICRZJP-UHFFFAOYSA-N 1 2 236.315 2.998 20 0 BFADLO COCC[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309062094 385396986 /nfs/dbraw/zinc/39/69/86/385396986.db2.gz XJFLZVBTDYFPNX-IUCAKERBSA-N 1 2 227.270 2.588 20 0 BFADLO Cc1nc(N[C@@H]2CC23CCCCC3)cc[nH+]1 ZINC000181264824 385404447 /nfs/dbraw/zinc/40/44/47/385404447.db2.gz IEJBPTOQRJYJHK-LLVKDONJSA-N 1 2 217.316 2.920 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1F ZINC000449036313 385444915 /nfs/dbraw/zinc/44/49/15/385444915.db2.gz SVLSHJCTETUJPU-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1F ZINC000449036313 385444920 /nfs/dbraw/zinc/44/49/20/385444920.db2.gz SVLSHJCTETUJPU-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000179233756 385453970 /nfs/dbraw/zinc/45/39/70/385453970.db2.gz FBWDEBPWDKZJLC-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1nccs1 ZINC000179233756 385453973 /nfs/dbraw/zinc/45/39/73/385453973.db2.gz FBWDEBPWDKZJLC-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(F)cc1F ZINC000182074657 385428350 /nfs/dbraw/zinc/42/83/50/385428350.db2.gz SEMVQJDDKDWWQU-MRVPVSSYSA-N 1 2 238.237 2.804 20 0 BFADLO CCc1cccc(Nc2[nH+]cccc2N)c1 ZINC000020585710 385430055 /nfs/dbraw/zinc/43/00/55/385430055.db2.gz MHBRNCNXVTXANH-UHFFFAOYSA-N 1 2 213.284 2.970 20 0 BFADLO Nc1ccc(NC(=O)CC2CCCCCC2)c[nH+]1 ZINC000156700442 385465839 /nfs/dbraw/zinc/46/58/39/385465839.db2.gz URPAYVVOUUDFMK-UHFFFAOYSA-N 1 2 247.342 2.963 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000179602582 385477699 /nfs/dbraw/zinc/47/76/99/385477699.db2.gz BRBDLAYMQYAKMM-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(C)cc1 ZINC000179602582 385477702 /nfs/dbraw/zinc/47/77/02/385477702.db2.gz BRBDLAYMQYAKMM-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1cccc(Cl)c1 ZINC000179645776 385479801 /nfs/dbraw/zinc/47/98/01/385479801.db2.gz VPMJLVYBZGFSAS-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc(Cl)c1 ZINC000179645776 385479807 /nfs/dbraw/zinc/47/98/07/385479807.db2.gz VPMJLVYBZGFSAS-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@H+](Cc1c[nH]cn1)Cc1cccc(Cl)c1 ZINC000179645776 385479813 /nfs/dbraw/zinc/47/98/13/385479813.db2.gz VPMJLVYBZGFSAS-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1c[nH]cn1)Cc1cccc(Cl)c1 ZINC000179645776 385479818 /nfs/dbraw/zinc/47/98/18/385479818.db2.gz VPMJLVYBZGFSAS-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CC(C)n1cc(C[N@H+](C)Cc2ccco2)cn1 ZINC000179670535 385481983 /nfs/dbraw/zinc/48/19/83/385481983.db2.gz UZDOYIFWBHLGCB-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1cc(C[N@@H+](C)Cc2ccco2)cn1 ZINC000179670535 385481987 /nfs/dbraw/zinc/48/19/87/385481987.db2.gz UZDOYIFWBHLGCB-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC/C=C(\C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171481951 385488797 /nfs/dbraw/zinc/48/87/97/385488797.db2.gz HOYPWZJEBGGGIM-IGEMTJHASA-N 1 2 247.342 2.820 20 0 BFADLO FC1(F)CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000281928863 385459300 /nfs/dbraw/zinc/45/93/00/385459300.db2.gz HRQZFTPYVBSPJK-SECBINFHSA-N 1 2 212.243 2.929 20 0 BFADLO CN(c1[nH+]c2ccccc2n1C)C1CCC1 ZINC000179302580 385459884 /nfs/dbraw/zinc/45/98/84/385459884.db2.gz XOVOSEXXXBLTSF-UHFFFAOYSA-N 1 2 215.300 2.562 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)no1 ZINC000111239672 385497124 /nfs/dbraw/zinc/49/71/24/385497124.db2.gz WEMHANHUTAKGEE-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)no1 ZINC000111239672 385497125 /nfs/dbraw/zinc/49/71/25/385497125.db2.gz WEMHANHUTAKGEE-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO CCc1cccc(OCCOCc2[nH]cc[nH+]2)c1 ZINC000180032008 385504456 /nfs/dbraw/zinc/50/44/56/385504456.db2.gz LYBYJEYCKLLCRD-UHFFFAOYSA-N 1 2 246.310 2.568 20 0 BFADLO C[C@@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCCCC1 ZINC000493181265 385547945 /nfs/dbraw/zinc/54/79/45/385547945.db2.gz BWHTWAMVESBJPZ-WSKFYRRCSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)(C)C[C@H](NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000180366218 385519126 /nfs/dbraw/zinc/51/91/26/385519126.db2.gz GXIHWCRUJRJSBK-QMMMGPOBSA-N 1 2 249.280 2.866 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000107288745 385559936 /nfs/dbraw/zinc/55/99/36/385559936.db2.gz QKOWEIXAQMTXNK-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(F)ccc1F ZINC000107292061 385561559 /nfs/dbraw/zinc/56/15/59/385561559.db2.gz ULQSBTOHLXUQAK-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cccc(F)c1 ZINC000107285905 385562714 /nfs/dbraw/zinc/56/27/14/385562714.db2.gz YHXLXKWUDQKJNP-UHFFFAOYSA-N 1 2 230.242 2.781 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000181060812 385563088 /nfs/dbraw/zinc/56/30/88/385563088.db2.gz ZIZXRXJDVKIIDY-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO C[C@H]([NH2+]Cc1noc(C2CC2)n1)c1ccccc1 ZINC000181345660 385572544 /nfs/dbraw/zinc/57/25/44/385572544.db2.gz QVPOAIOGDSDPNC-JTQLQIEISA-N 1 2 243.310 2.798 20 0 BFADLO CC(F)(F)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000645196982 385602644 /nfs/dbraw/zinc/60/26/44/385602644.db2.gz XGNSUZSZZULICP-NSHDSACASA-N 1 2 240.297 2.510 20 0 BFADLO CCC[C@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000337355009 385616220 /nfs/dbraw/zinc/61/62/20/385616220.db2.gz BSTHPHWEKLBWHH-AAEUAGOBSA-N 1 2 244.342 2.672 20 0 BFADLO Cc1ccc(CCCOCc2[nH]cc[nH+]2)cc1 ZINC000182105166 385636034 /nfs/dbraw/zinc/63/60/34/385636034.db2.gz SFZPEUHHDWUERO-UHFFFAOYSA-N 1 2 230.311 2.868 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cncc(C)c2)no1 ZINC000337415760 385646010 /nfs/dbraw/zinc/64/60/10/385646010.db2.gz PEDWYSYPHJGCDS-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO CCOc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000293584566 385663630 /nfs/dbraw/zinc/66/36/30/385663630.db2.gz AZGQUQMKJADVKE-ZDUSSCGKSA-N 1 2 243.310 2.839 20 0 BFADLO CC(C)(C)OCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337509603 385689738 /nfs/dbraw/zinc/68/97/38/385689738.db2.gz IABHSWHXTQTHNG-SNVBAGLBSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)(C)OCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337509603 385689745 /nfs/dbraw/zinc/68/97/45/385689745.db2.gz IABHSWHXTQTHNG-SNVBAGLBSA-N 1 2 235.318 2.921 20 0 BFADLO c1ccc2[nH+]c(N3C[C@@H]4CCC[C@H]4C3)[nH]c2c1 ZINC000270553250 385716871 /nfs/dbraw/zinc/71/68/71/385716871.db2.gz GVAKQYTVOBHDMN-QWRGUYRKSA-N 1 2 227.311 2.799 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)CO)c1cccc(C)c1 ZINC000336699319 385755963 /nfs/dbraw/zinc/75/59/63/385755963.db2.gz KGCRVBHDAOOEGN-GFCCVEGCSA-N 1 2 243.297 2.663 20 0 BFADLO C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(F)(F)F ZINC000336655453 385758847 /nfs/dbraw/zinc/75/88/47/385758847.db2.gz NUNKIXXVJDRTLC-DTWKUNHWSA-N 1 2 207.239 2.883 20 0 BFADLO Cc1csc([C@H]([NH2+]Cc2ccon2)C2CC2)n1 ZINC000183510518 385768003 /nfs/dbraw/zinc/76/80/03/385768003.db2.gz ALAUXOPYPXJMFO-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO CC(C)COC[C@@H]([NH2+]CCF)c1ccco1 ZINC000309654317 385771702 /nfs/dbraw/zinc/77/17/02/385771702.db2.gz YPFJHBKFQPRWBX-LLVKDONJSA-N 1 2 229.295 2.552 20 0 BFADLO Cc1nonc1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000271647071 385843039 /nfs/dbraw/zinc/84/30/39/385843039.db2.gz AHZDWDYRQRRVFA-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CC(C)(C)CCCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284051132 385847695 /nfs/dbraw/zinc/84/76/95/385847695.db2.gz QMALPELRFMIESZ-VOTSOKGWSA-N 1 2 249.358 2.756 20 0 BFADLO Cc1sc2nc(C)nc(-n3cc[nH+]c3)c2c1C ZINC000336706834 385792144 /nfs/dbraw/zinc/79/21/44/385792144.db2.gz LOJWGFAGBLRUGL-UHFFFAOYSA-N 1 2 244.323 2.802 20 0 BFADLO FCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000336720924 385889952 /nfs/dbraw/zinc/88/99/52/385889952.db2.gz ZJMDIWBSBMVQPT-UHFFFAOYSA-N 1 2 236.315 2.869 20 0 BFADLO FC(F)(F)[C@@H]([NH2+]C1CCSCC1)C1CC1 ZINC000336721405 385909950 /nfs/dbraw/zinc/90/99/50/385909950.db2.gz DJWLOQTXPRQVGG-VIFPVBQESA-N 1 2 239.306 2.813 20 0 BFADLO C[C@H](CC(C)(C)O)Nc1cc[nH+]c2ccncc12 ZINC000294910305 385914355 /nfs/dbraw/zinc/91/43/55/385914355.db2.gz FRDIZVRUAGJAOY-SNVBAGLBSA-N 1 2 245.326 2.591 20 0 BFADLO CSc1ccc(N[C@@H]2C[C@H](C)O[C@@H]2C)[nH+]c1 ZINC000294918391 385917430 /nfs/dbraw/zinc/91/74/30/385917430.db2.gz AOSJQHHZQVZAEM-IQJOONFLSA-N 1 2 238.356 2.781 20 0 BFADLO c1csc(SCCn2cc[nH+]c2)c1 ZINC000121899902 385872737 /nfs/dbraw/zinc/87/27/37/385872737.db2.gz RDQIPORJUATEAK-UHFFFAOYSA-N 1 2 210.327 2.737 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294602324 385873764 /nfs/dbraw/zinc/87/37/64/385873764.db2.gz ZZBDEQXKFFSRHW-GHMZBOCLSA-N 1 2 245.326 2.955 20 0 BFADLO CCCC[C@H](CC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000647735928 385878821 /nfs/dbraw/zinc/87/88/21/385878821.db2.gz SETFJNAGHQOXHX-NSHDSACASA-N 1 2 249.358 2.511 20 0 BFADLO CCCC[C@H](CC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000647735928 385878826 /nfs/dbraw/zinc/87/88/26/385878826.db2.gz SETFJNAGHQOXHX-NSHDSACASA-N 1 2 249.358 2.511 20 0 BFADLO c1c(CS[C@@H]2CCCOC2)[nH+]c2ccccn12 ZINC000335017013 385976489 /nfs/dbraw/zinc/97/64/89/385976489.db2.gz LVCFQIUKXFWEAQ-GFCCVEGCSA-N 1 2 248.351 2.747 20 0 BFADLO Cn1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000334321099 385986189 /nfs/dbraw/zinc/98/61/89/385986189.db2.gz HNMDVLVRQQWEKY-LLVKDONJSA-N 1 2 228.286 2.645 20 0 BFADLO Cn1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)c1 ZINC000334321099 385986191 /nfs/dbraw/zinc/98/61/91/385986191.db2.gz HNMDVLVRQQWEKY-LLVKDONJSA-N 1 2 228.286 2.645 20 0 BFADLO C[C@H]1CC[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000345077309 385986816 /nfs/dbraw/zinc/98/68/16/385986816.db2.gz OQGUGTPIDKIJRR-QWRGUYRKSA-N 1 2 247.342 2.522 20 0 BFADLO Cc1sccc1C[NH+]1CCN(C(C)C)CC1 ZINC000294972384 385932204 /nfs/dbraw/zinc/93/22/04/385932204.db2.gz RPBLEYCZDYUNHN-UHFFFAOYSA-N 1 2 238.400 2.583 20 0 BFADLO Cc1cnc(NCCCc2[nH+]cccc2C)nc1 ZINC000295041812 385951872 /nfs/dbraw/zinc/95/18/72/385951872.db2.gz SWMFVWJCJWHYKO-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCN3)CCO1 ZINC000335055895 385955958 /nfs/dbraw/zinc/95/59/58/385955958.db2.gz RTKCGSPECIIMPS-GWCFXTLKSA-N 1 2 232.327 2.634 20 0 BFADLO C[C@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CCO1 ZINC000335055895 385955961 /nfs/dbraw/zinc/95/59/61/385955961.db2.gz RTKCGSPECIIMPS-GWCFXTLKSA-N 1 2 232.327 2.634 20 0 BFADLO Cc1cc(CNC(=O)C2=CCCCC2)cc(C)[nH+]1 ZINC000335055858 385956304 /nfs/dbraw/zinc/95/63/04/385956304.db2.gz QZKXLUFRKHEQRK-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO Fc1ccc(SCCn2cc[nH+]c2)c(F)c1 ZINC000342207677 385957384 /nfs/dbraw/zinc/95/73/84/385957384.db2.gz KGCVEXRYNKMKQD-UHFFFAOYSA-N 1 2 240.278 2.954 20 0 BFADLO Cc1noc(C)c1[C@H](C)Nc1cccc[nH+]1 ZINC000072946742 385963372 /nfs/dbraw/zinc/96/33/72/385963372.db2.gz DAWZYSCTMGIGRL-QMMMGPOBSA-N 1 2 217.272 2.860 20 0 BFADLO CC[C@H](F)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000336746900 385965726 /nfs/dbraw/zinc/96/57/26/385965726.db2.gz WYVBHQSZANNLKA-YUMQZZPRSA-N 1 2 232.249 2.759 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338318552 385967039 /nfs/dbraw/zinc/96/70/39/385967039.db2.gz LBXOIDKJHNJCLV-JTQLQIEISA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@H](F)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000338318552 385967045 /nfs/dbraw/zinc/96/70/45/385967045.db2.gz LBXOIDKJHNJCLV-JTQLQIEISA-N 1 2 241.281 2.768 20 0 BFADLO CO[C@H]1CCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000273083307 385967358 /nfs/dbraw/zinc/96/73/58/385967358.db2.gz HDEJBVCGLABMMO-NWDGAFQWSA-N 1 2 248.351 2.994 20 0 BFADLO CC(C)=CC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000338317374 385967691 /nfs/dbraw/zinc/96/76/91/385967691.db2.gz LALAPHSMOKYPSH-UHFFFAOYSA-N 1 2 235.302 2.986 20 0 BFADLO CC(C)=CC[N@H+]1CCOc2cccc(F)c2C1 ZINC000338317374 385967696 /nfs/dbraw/zinc/96/76/96/385967696.db2.gz LALAPHSMOKYPSH-UHFFFAOYSA-N 1 2 235.302 2.986 20 0 BFADLO Cc1cc(N2CC3(CC=CC3)[C@@H]2C(C)C)nc[nH+]1 ZINC000645387057 386004739 /nfs/dbraw/zinc/00/47/39/386004739.db2.gz JFRHUUZARJZHGY-AWEZNQCLSA-N 1 2 243.354 2.966 20 0 BFADLO Cc1ccc(NC(=O)[C@]2(C)CC2(F)F)c(C)[nH+]1 ZINC000335066314 386005130 /nfs/dbraw/zinc/00/51/30/386005130.db2.gz BTNLNGLASFDGNJ-NSHDSACASA-N 1 2 240.253 2.682 20 0 BFADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414169483 386016688 /nfs/dbraw/zinc/01/66/88/386016688.db2.gz VOBUHJBHUBLRAZ-KKHAAJSZSA-N 1 2 221.266 2.961 20 0 BFADLO CCc1ccc([C@H](O)CNc2cccc[nH+]2)cc1 ZINC000286379796 386031265 /nfs/dbraw/zinc/03/12/65/386031265.db2.gz FTCAGCAZJPTFLP-CQSZACIVSA-N 1 2 242.322 2.790 20 0 BFADLO Cc1cc(CNC(=O)[C@H]2CC[C@H](C)C2)cc(C)[nH+]1 ZINC000335074676 386039304 /nfs/dbraw/zinc/03/93/04/386039304.db2.gz PJQJKRDVAGUTCS-HZMBPMFUSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2CC[C@H](C)C2)cc(C)[nH+]1 ZINC000335074677 386040829 /nfs/dbraw/zinc/04/08/29/386040829.db2.gz PJQJKRDVAGUTCS-IINYFYTJSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1ccc(C)c(CNc2c[nH]c[nH+]2)c1 ZINC000309246810 386041986 /nfs/dbraw/zinc/04/19/86/386041986.db2.gz ZIKYFPNZLLIBMS-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1nocc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000295511627 386045046 /nfs/dbraw/zinc/04/50/46/386045046.db2.gz ZHCPWFPIHQYURV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nocc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000295511627 386045052 /nfs/dbraw/zinc/04/50/52/386045052.db2.gz ZHCPWFPIHQYURV-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)o1 ZINC000335075752 386045558 /nfs/dbraw/zinc/04/55/58/386045558.db2.gz VOVFOSQYFPAILV-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC000295561634 386051880 /nfs/dbraw/zinc/05/18/80/386051880.db2.gz IGCZPROAOMGUFK-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H]([NH2+]c1ccc(-n2ccnn2)cc1)C1CC1 ZINC000638243927 386052918 /nfs/dbraw/zinc/05/29/18/386052918.db2.gz FCPYDKXUMDIBDB-AWEZNQCLSA-N 1 2 242.326 2.868 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)c1cn[nH]c1 ZINC000273940022 386054824 /nfs/dbraw/zinc/05/48/24/386054824.db2.gz DBWREJNKIBXWQQ-SECBINFHSA-N 1 2 248.330 2.546 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCCC2(CC2)C1 ZINC000274447740 386106749 /nfs/dbraw/zinc/10/67/49/386106749.db2.gz IAFCOOXFKVYVMO-UHFFFAOYSA-N 1 2 241.338 2.954 20 0 BFADLO Cc1noc(C[NH2+][C@H](c2ccccc2)C(C)C)n1 ZINC000037981026 386108312 /nfs/dbraw/zinc/10/83/12/386108312.db2.gz HZCDICGWULHCFH-AWEZNQCLSA-N 1 2 245.326 2.865 20 0 BFADLO Cc1ccc(Cc2noc(CC(C)(C)C)n2)c[nH+]1 ZINC000274006282 386060208 /nfs/dbraw/zinc/06/02/08/386060208.db2.gz VPEADACMEWPRJC-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000425440911 386060239 /nfs/dbraw/zinc/06/02/39/386060239.db2.gz FHDZPGQVQIFSCJ-MNOVXSKESA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000425440911 386060247 /nfs/dbraw/zinc/06/02/47/386060247.db2.gz FHDZPGQVQIFSCJ-MNOVXSKESA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000425440913 386060464 /nfs/dbraw/zinc/06/04/64/386060464.db2.gz FHDZPGQVQIFSCJ-WDEREUQCSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@H+]1CCCC[C@H]1C(F)F)C1CC1 ZINC000425440913 386060467 /nfs/dbraw/zinc/06/04/67/386060467.db2.gz FHDZPGQVQIFSCJ-WDEREUQCSA-N 1 2 233.302 2.531 20 0 BFADLO COC[C@H](C)[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287441646 386121864 /nfs/dbraw/zinc/12/18/64/386121864.db2.gz QCCYMIUWIBLXOQ-VIFPVBQESA-N 1 2 225.719 2.691 20 0 BFADLO COC[C@H](C)[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287441646 386121870 /nfs/dbraw/zinc/12/18/70/386121870.db2.gz QCCYMIUWIBLXOQ-VIFPVBQESA-N 1 2 225.719 2.691 20 0 BFADLO CC[C@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000223625580 386090611 /nfs/dbraw/zinc/09/06/11/386090611.db2.gz SPOQALKEDXDUIA-LBPRGKRZSA-N 1 2 231.299 2.619 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccco1 ZINC000353881039 386155417 /nfs/dbraw/zinc/15/54/17/386155417.db2.gz PJNHYHGFVHYUAX-ZWNOBZJWSA-N 1 2 245.326 2.815 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@](C)(F)C2)c(C)s1 ZINC000334478549 386163943 /nfs/dbraw/zinc/16/39/43/386163943.db2.gz QRXQVAWZXODIPF-NSHDSACASA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@](C)(F)C2)c(C)s1 ZINC000334478549 386163949 /nfs/dbraw/zinc/16/39/49/386163949.db2.gz QRXQVAWZXODIPF-NSHDSACASA-N 1 2 228.336 2.694 20 0 BFADLO Cc1occc1C[NH2+][C@@H](C)c1nnc(C(C)C)[nH]1 ZINC000414371868 386170494 /nfs/dbraw/zinc/17/04/94/386170494.db2.gz YVMFDTKODBVCHV-VIFPVBQESA-N 1 2 248.330 2.680 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cncc(F)c1 ZINC000275111233 386181043 /nfs/dbraw/zinc/18/10/43/386181043.db2.gz GNLLLKKISXUNJO-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cncc(F)c1 ZINC000275111233 386181045 /nfs/dbraw/zinc/18/10/45/386181045.db2.gz GNLLLKKISXUNJO-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cncc(F)c1 ZINC000275148413 386185775 /nfs/dbraw/zinc/18/57/75/386185775.db2.gz RJCODXHNUNNHPG-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cncc(F)c1 ZINC000275148413 386185779 /nfs/dbraw/zinc/18/57/79/386185779.db2.gz RJCODXHNUNNHPG-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO Fc1cc(F)cc(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000647930194 386126328 /nfs/dbraw/zinc/12/63/28/386126328.db2.gz TVJKGFSNTCADND-UHFFFAOYSA-N 1 2 241.256 2.899 20 0 BFADLO CC(C)[N@H+](Cc1cc(F)ccc1F)C1COC1 ZINC000296072655 386133433 /nfs/dbraw/zinc/13/34/33/386133433.db2.gz PYRTUBRMXPSWDV-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO CC(C)[N@@H+](Cc1cc(F)ccc1F)C1COC1 ZINC000296072655 386133435 /nfs/dbraw/zinc/13/34/35/386133435.db2.gz PYRTUBRMXPSWDV-UHFFFAOYSA-N 1 2 241.281 2.574 20 0 BFADLO Clc1cccc2c1CN(Cc1[nH]cc[nH+]1)C2 ZINC000287556039 386135271 /nfs/dbraw/zinc/13/52/71/386135271.db2.gz WPRAOQNOFRXOQI-UHFFFAOYSA-N 1 2 233.702 2.579 20 0 BFADLO CC(C)=CCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000027896196 386135682 /nfs/dbraw/zinc/13/56/82/386135682.db2.gz PWFYACBSPIIRTB-UHFFFAOYSA-N 1 2 216.288 2.644 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000334465266 386136847 /nfs/dbraw/zinc/13/68/47/386136847.db2.gz UEQBAKMPUVUPSO-WCQYABFASA-N 1 2 247.338 2.768 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000334465266 386136849 /nfs/dbraw/zinc/13/68/49/386136849.db2.gz UEQBAKMPUVUPSO-WCQYABFASA-N 1 2 247.338 2.768 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOCC23CC3)o1 ZINC000334465270 386137989 /nfs/dbraw/zinc/13/79/89/386137989.db2.gz UEQBAKMPUVUPSO-YPMHNXCESA-N 1 2 247.338 2.768 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOCC23CC3)o1 ZINC000334465270 386137993 /nfs/dbraw/zinc/13/79/93/386137993.db2.gz UEQBAKMPUVUPSO-YPMHNXCESA-N 1 2 247.338 2.768 20 0 BFADLO CCN(CC1CC1)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287679277 386140839 /nfs/dbraw/zinc/14/08/39/386140839.db2.gz YELKJFOBOLWMKA-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO Cc1ccc([N@@H+](CCCO)C(C)C)cc1 ZINC000264114731 386210820 /nfs/dbraw/zinc/21/08/20/386210820.db2.gz KTVZHDQYWSYNHC-UHFFFAOYSA-N 1 2 207.317 2.592 20 0 BFADLO Cc1ccc([N@H+](CCCO)C(C)C)cc1 ZINC000264114731 386210827 /nfs/dbraw/zinc/21/08/27/386210827.db2.gz KTVZHDQYWSYNHC-UHFFFAOYSA-N 1 2 207.317 2.592 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC000297013378 386218235 /nfs/dbraw/zinc/21/82/35/386218235.db2.gz TZQJDHXQXJZTQI-LLVKDONJSA-N 1 2 249.358 2.512 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)Cc1[nH+]c[nH]c1C ZINC000297013378 386218245 /nfs/dbraw/zinc/21/82/45/386218245.db2.gz TZQJDHXQXJZTQI-LLVKDONJSA-N 1 2 249.358 2.512 20 0 BFADLO FC(F)C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000339057973 386227465 /nfs/dbraw/zinc/22/74/65/386227465.db2.gz JYTYZFQPPLPVFQ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000339057973 386227471 /nfs/dbraw/zinc/22/74/71/386227471.db2.gz JYTYZFQPPLPVFQ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2nccs2)s1 ZINC000125175349 386233103 /nfs/dbraw/zinc/23/31/03/386233103.db2.gz VRDHRNKBHHBCNA-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1nc(C[N@@H+]2CCCc3occc3C2)oc1C ZINC000288815222 386233914 /nfs/dbraw/zinc/23/39/14/386233914.db2.gz MSMHBIMBCFBNLR-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO Cc1nc(C[N@H+]2CCCc3occc3C2)oc1C ZINC000288815222 386233918 /nfs/dbraw/zinc/23/39/18/386233918.db2.gz MSMHBIMBCFBNLR-UHFFFAOYSA-N 1 2 246.310 2.833 20 0 BFADLO CC(C)n1cc[nH+]c1CN(CC(F)F)C1CC1 ZINC000264442990 386237394 /nfs/dbraw/zinc/23/73/94/386237394.db2.gz QNFRRIKIBXXVRD-UHFFFAOYSA-N 1 2 243.301 2.694 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)c1cccnc1 ZINC000264615997 386255228 /nfs/dbraw/zinc/25/52/28/386255228.db2.gz GYOPALRDLLCJDX-SNVBAGLBSA-N 1 2 240.310 2.922 20 0 BFADLO Cc1occc1CN(C)c1cc[nH+]c(C2CC2)n1 ZINC000264643992 386256899 /nfs/dbraw/zinc/25/68/99/386256899.db2.gz GTFGODATPSYQFG-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO Cc1[nH]c(C(=O)N[C@H](C)CCCC(C)C)c[nH+]1 ZINC000264652724 386258585 /nfs/dbraw/zinc/25/85/85/386258585.db2.gz GSDLTJAZSWAGIG-SNVBAGLBSA-N 1 2 237.347 2.663 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cscn2)o1 ZINC000040421145 386195264 /nfs/dbraw/zinc/19/52/64/386195264.db2.gz JLCDLMNHMKORRK-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO COC1(CC[N@H+](CC(F)F)C2CC2)CCC1 ZINC000338981133 386195610 /nfs/dbraw/zinc/19/56/10/386195610.db2.gz NCZUENGNFJBVTN-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO COC1(CC[N@@H+](CC(F)F)C2CC2)CCC1 ZINC000338981133 386195612 /nfs/dbraw/zinc/19/56/12/386195612.db2.gz NCZUENGNFJBVTN-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)CCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000263986828 386200209 /nfs/dbraw/zinc/20/02/09/386200209.db2.gz FHMXRNOEAVVGIT-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cs1 ZINC000289375888 386293140 /nfs/dbraw/zinc/29/31/40/386293140.db2.gz BUCDANROHPDNCY-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cs1 ZINC000289375888 386293145 /nfs/dbraw/zinc/29/31/45/386293145.db2.gz BUCDANROHPDNCY-MRVPVSSYSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1nonc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000265108173 386307583 /nfs/dbraw/zinc/30/75/83/386307583.db2.gz GVMGXQSXLMPXCK-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000265114065 386308009 /nfs/dbraw/zinc/30/80/09/386308009.db2.gz ICKPRXYAGOVEOO-SECBINFHSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000265114065 386308017 /nfs/dbraw/zinc/30/80/17/386308017.db2.gz ICKPRXYAGOVEOO-SECBINFHSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1nonc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000265129781 386310213 /nfs/dbraw/zinc/31/02/13/386310213.db2.gz MNIDLUGXQFYFFJ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nonc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000265129781 386310217 /nfs/dbraw/zinc/31/02/17/386310217.db2.gz MNIDLUGXQFYFFJ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO O=C(CC1CC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000339132296 386264179 /nfs/dbraw/zinc/26/41/79/386264179.db2.gz HUHKAJVDEVWGHR-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccnc2)co1 ZINC000647969955 386267569 /nfs/dbraw/zinc/26/75/69/386267569.db2.gz ZGGAUFZBQJCESJ-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccnc2)co1 ZINC000647969955 386267574 /nfs/dbraw/zinc/26/75/74/386267574.db2.gz ZGGAUFZBQJCESJ-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000264839102 386274665 /nfs/dbraw/zinc/27/46/65/386274665.db2.gz GHKINLUWJJWCTL-LBPRGKRZSA-N 1 2 231.343 2.979 20 0 BFADLO CC(C)[C@H](NC(=O)c1cccs1)c1[nH]cc[nH+]1 ZINC000276638318 386356289 /nfs/dbraw/zinc/35/62/89/386356289.db2.gz QLWJTKQMLNEGJO-JTQLQIEISA-N 1 2 249.339 2.598 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)on1)c1ccncc1 ZINC000347366633 386367287 /nfs/dbraw/zinc/36/72/87/386367287.db2.gz SKROMJDCNZBBJJ-ZDUSSCGKSA-N 1 2 231.299 2.619 20 0 BFADLO CC(=O)CC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000298689688 386371130 /nfs/dbraw/zinc/37/11/30/386371130.db2.gz SERUMSQPHDYICC-UHFFFAOYSA-N 1 2 243.709 2.890 20 0 BFADLO CC(=O)CC[N@H+](C)Cc1c(F)cccc1Cl ZINC000298689688 386371137 /nfs/dbraw/zinc/37/11/37/386371137.db2.gz SERUMSQPHDYICC-UHFFFAOYSA-N 1 2 243.709 2.890 20 0 BFADLO CC(C)COCC[N@H+](CC(F)F)C(C)C ZINC000336697011 386379335 /nfs/dbraw/zinc/37/93/35/386379335.db2.gz MWLWFKMXBOAECX-UHFFFAOYSA-N 1 2 223.307 2.635 20 0 BFADLO CC(C)COCC[N@@H+](CC(F)F)C(C)C ZINC000336697011 386379340 /nfs/dbraw/zinc/37/93/40/386379340.db2.gz MWLWFKMXBOAECX-UHFFFAOYSA-N 1 2 223.307 2.635 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccs2)nn1C ZINC000336675512 386325620 /nfs/dbraw/zinc/32/56/20/386325620.db2.gz ADSOKIYPPNNTPR-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccs2)nn1C ZINC000336675512 386325625 /nfs/dbraw/zinc/32/56/25/386325625.db2.gz ADSOKIYPPNNTPR-NSHDSACASA-N 1 2 249.383 2.983 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CC[C@H]4C[C@H]4C3)c2cn1 ZINC000645396845 386330842 /nfs/dbraw/zinc/33/08/42/386330842.db2.gz FAJGFVVOUGFDMJ-SDDRHHMPSA-N 1 2 239.322 2.652 20 0 BFADLO Cn1c[nH+]cc1CN1CCCc2cc(F)ccc21 ZINC000335276066 386339070 /nfs/dbraw/zinc/33/90/70/386339070.db2.gz ABDKGQJLSALICQ-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO COc1cc(CNc2cc[nH+]c(C)n2)ccc1C ZINC000266459530 386439936 /nfs/dbraw/zinc/43/99/36/386439936.db2.gz YLXHNMJRHAIVFH-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CC(C)n1cc[nH+]c1CN(C)Cc1ccoc1 ZINC000336715940 386443849 /nfs/dbraw/zinc/44/38/49/386443849.db2.gz VGKQMMIBBVOYEO-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccon2)cc(C)c1O ZINC000290183738 386403375 /nfs/dbraw/zinc/40/33/75/386403375.db2.gz ZJPBQQHEOBKZJB-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccon2)cc(C)c1O ZINC000290183738 386403377 /nfs/dbraw/zinc/40/33/77/386403377.db2.gz ZJPBQQHEOBKZJB-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1cc[nH+]cc1CCCN[C@@H](C)C(F)(F)F ZINC000290195349 386404254 /nfs/dbraw/zinc/40/42/54/386404254.db2.gz PDDWLULBQYDEAI-JTQLQIEISA-N 1 2 246.276 2.863 20 0 BFADLO CC(C)[N@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000347445483 386407314 /nfs/dbraw/zinc/40/73/14/386407314.db2.gz SXQJYDHSWMPKEQ-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)[N@@H+](CC[C@H]1CCCCO1)CC(F)F ZINC000347445483 386407317 /nfs/dbraw/zinc/40/73/17/386407317.db2.gz SXQJYDHSWMPKEQ-LLVKDONJSA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)[N@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000347445485 386408053 /nfs/dbraw/zinc/40/80/53/386408053.db2.gz SXQJYDHSWMPKEQ-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)[N@@H+](CC[C@@H]1CCCCO1)CC(F)F ZINC000347445485 386408057 /nfs/dbraw/zinc/40/80/57/386408057.db2.gz SXQJYDHSWMPKEQ-NSHDSACASA-N 1 2 235.318 2.921 20 0 BFADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(C)cc1 ZINC000290311894 386418226 /nfs/dbraw/zinc/41/82/26/386418226.db2.gz AOJKFDDWXBKMQP-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(C)cc1 ZINC000290311894 386418230 /nfs/dbraw/zinc/41/82/30/386418230.db2.gz AOJKFDDWXBKMQP-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCS[C@H]2C)[nH+]1 ZINC000645401865 386427433 /nfs/dbraw/zinc/42/74/33/386427433.db2.gz MUJSUWKVVKAIST-XVKPBYJWSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1cnc([C@H](C)[NH2+]Cc2cnoc2C)s1 ZINC000336777594 386427541 /nfs/dbraw/zinc/42/75/41/386427541.db2.gz IYHBJNAEUSFWQT-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@H](NC(=O)C1CC2(CCC2)C1)c1[nH]cc[nH+]1 ZINC000519406518 386435221 /nfs/dbraw/zinc/43/52/21/386435221.db2.gz ZJWRKWCSHZYXJC-NSHDSACASA-N 1 2 247.342 2.557 20 0 BFADLO CC(C)[C@H](NC(=O)C1=CCCCC1)c1[nH]cc[nH+]1 ZINC000290713862 386469737 /nfs/dbraw/zinc/46/97/37/386469737.db2.gz KOYIYAXSDFRFNL-LBPRGKRZSA-N 1 2 247.342 2.723 20 0 BFADLO CCN(C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000290846534 386480345 /nfs/dbraw/zinc/48/03/45/386480345.db2.gz ZCAJETNVUQCHKS-UHFFFAOYSA-N 1 2 246.314 2.597 20 0 BFADLO CC(C)c1nc(C[NH+]2[C@@H](C)CC[C@@H]2C)no1 ZINC000123054377 386529101 /nfs/dbraw/zinc/52/91/01/386529101.db2.gz MXOKRETXHKZWOA-UWVGGRQHSA-N 1 2 223.320 2.566 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nc(C)c(C)s1 ZINC000165019471 386494115 /nfs/dbraw/zinc/49/41/15/386494115.db2.gz YNGHIGROHIMWOD-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@H](C)c1ccccc1C)C1CC1 ZINC000227767437 386510269 /nfs/dbraw/zinc/51/02/69/386510269.db2.gz XHECHQWYSMEMFF-RISCZKNCSA-N 1 2 247.338 2.597 20 0 BFADLO CCC1(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000267200153 386510349 /nfs/dbraw/zinc/51/03/49/386510349.db2.gz FBZVFPKSHUYXTP-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)c1ccccc1C)C1CC1 ZINC000227767428 386510792 /nfs/dbraw/zinc/51/07/92/386510792.db2.gz XHECHQWYSMEMFF-FZMZJTMJSA-N 1 2 247.338 2.597 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@H](CC3CC3)C2)no1 ZINC000339676638 386514424 /nfs/dbraw/zinc/51/44/24/386514424.db2.gz XHSXHBRMPBBJAF-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@H](CC3CC3)C2)no1 ZINC000339676638 386514433 /nfs/dbraw/zinc/51/44/33/386514433.db2.gz XHSXHBRMPBBJAF-GFCCVEGCSA-N 1 2 249.358 2.644 20 0 BFADLO CC[C@H]([NH2+][C@@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000227769514 386514734 /nfs/dbraw/zinc/51/47/34/386514734.db2.gz MNCXPJNRWPRAJV-UONOGXRCSA-N 1 2 247.338 2.679 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccc[nH]2)c(F)c1 ZINC000519653230 386518640 /nfs/dbraw/zinc/51/86/40/386518640.db2.gz OLPHDMQHZBMPHL-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccc[nH]2)c(F)c1 ZINC000519653230 386518647 /nfs/dbraw/zinc/51/86/47/386518647.db2.gz OLPHDMQHZBMPHL-UHFFFAOYSA-N 1 2 248.301 2.794 20 0 BFADLO Fc1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000135510333 386519077 /nfs/dbraw/zinc/51/90/77/386519077.db2.gz UEMGIUJNFULVDZ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000135510333 386519086 /nfs/dbraw/zinc/51/90/86/386519086.db2.gz UEMGIUJNFULVDZ-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000266677734 386459734 /nfs/dbraw/zinc/45/97/34/386459734.db2.gz QZSYDIJZWVYXQQ-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)o1 ZINC000266677734 386459738 /nfs/dbraw/zinc/45/97/38/386459738.db2.gz QZSYDIJZWVYXQQ-GFCCVEGCSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000266677735 386460330 /nfs/dbraw/zinc/46/03/30/386460330.db2.gz QZSYDIJZWVYXQQ-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)o1 ZINC000266677735 386460333 /nfs/dbraw/zinc/46/03/33/386460333.db2.gz QZSYDIJZWVYXQQ-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO CO[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000266687619 386463038 /nfs/dbraw/zinc/46/30/38/386463038.db2.gz CMYGGUZUSMWTKD-GFCCVEGCSA-N 1 2 249.358 2.745 20 0 BFADLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000299553517 386463696 /nfs/dbraw/zinc/46/36/96/386463696.db2.gz RCALJYABIGQOIW-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000299553517 386463699 /nfs/dbraw/zinc/46/36/99/386463699.db2.gz RCALJYABIGQOIW-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CC=C(C)C ZINC000190721141 386581907 /nfs/dbraw/zinc/58/19/07/386581907.db2.gz FQVZYNPSBRLJNK-GFCCVEGCSA-N 1 2 227.348 2.520 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)no1 ZINC000267357846 386531777 /nfs/dbraw/zinc/53/17/77/386531777.db2.gz HRWRYQSMOQUZJP-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccccn2)no1 ZINC000267357846 386531783 /nfs/dbraw/zinc/53/17/83/386531783.db2.gz HRWRYQSMOQUZJP-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CCOCCNc1[nH+]c2ccccc2cc1C ZINC000063105770 386539283 /nfs/dbraw/zinc/53/92/83/386539283.db2.gz SPJLLXNJMSCVQR-UHFFFAOYSA-N 1 2 230.311 2.992 20 0 BFADLO COC(C)(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000135818092 386548830 /nfs/dbraw/zinc/54/88/30/386548830.db2.gz DTWIBDRXIGGVCN-UHFFFAOYSA-N 1 2 248.248 2.937 20 0 BFADLO C[N@H+](CCF)Cc1cc(Cl)ccc1F ZINC000278856343 386597269 /nfs/dbraw/zinc/59/72/69/386597269.db2.gz RSUFQSWLEXCFCU-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO C[N@@H+](CCF)Cc1cc(Cl)ccc1F ZINC000278856343 386597275 /nfs/dbraw/zinc/59/72/75/386597275.db2.gz RSUFQSWLEXCFCU-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO c1cn(-c2ccc(CSCC3CC3)cn2)c[nH+]1 ZINC000291500561 386553089 /nfs/dbraw/zinc/55/30/89/386553089.db2.gz IYDDBKBVSBORJO-UHFFFAOYSA-N 1 2 245.351 2.911 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cncc3C2)cc1C ZINC000291672160 386565754 /nfs/dbraw/zinc/56/57/54/386565754.db2.gz WKEXLKODHFKZMZ-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cncc3C2)cc1C ZINC000291672160 386565760 /nfs/dbraw/zinc/56/57/60/386565760.db2.gz WKEXLKODHFKZMZ-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(CN2CCn3c[nH+]cc3C2)cc1C ZINC000291672160 386565765 /nfs/dbraw/zinc/56/57/65/386565765.db2.gz WKEXLKODHFKZMZ-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO c1ccc(NC[C@@H]2CCCSC2)[nH+]c1 ZINC000288545758 386566776 /nfs/dbraw/zinc/56/67/76/386566776.db2.gz PCOPMGPQCDAPLB-JTQLQIEISA-N 1 2 208.330 2.637 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000335410460 386573898 /nfs/dbraw/zinc/57/38/98/386573898.db2.gz SXRZRAKGYAJEQV-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000335410460 386573901 /nfs/dbraw/zinc/57/39/01/386573901.db2.gz SXRZRAKGYAJEQV-SNVBAGLBSA-N 1 2 240.347 2.954 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+]1Cc2cccnc2C1 ZINC000644933725 386620438 /nfs/dbraw/zinc/62/04/38/386620438.db2.gz SERRBVJEHOTYEP-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+]1Cc2cccnc2C1 ZINC000644933725 386620443 /nfs/dbraw/zinc/62/04/43/386620443.db2.gz SERRBVJEHOTYEP-NSHDSACASA-N 1 2 225.295 2.553 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(C)s2)n1 ZINC000336782093 386621820 /nfs/dbraw/zinc/62/18/20/386621820.db2.gz WOVQFIFOJFJTDW-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@]12C[C@H]1CCC2 ZINC000335503505 386631681 /nfs/dbraw/zinc/63/16/81/386631681.db2.gz PAWXWECDFIVCMA-BXUZGUMPSA-N 1 2 230.311 2.827 20 0 BFADLO CC[C@H]1CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000292244183 386637756 /nfs/dbraw/zinc/63/77/56/386637756.db2.gz JPGBSVOADPXNGV-NSHDSACASA-N 1 2 217.316 2.651 20 0 BFADLO C[C@H]([NH2+]Cc1ccco1)c1ccncc1F ZINC000336782432 386643366 /nfs/dbraw/zinc/64/33/66/386643366.db2.gz XPUQOFQMRUEWJJ-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO CC[C@@H](C)[C@H]([NH2+]CC1=CCCCC1)C(=O)OC ZINC000450725044 386643949 /nfs/dbraw/zinc/64/39/49/386643949.db2.gz PQMWGOYMNWFBLY-YPMHNXCESA-N 1 2 239.359 2.664 20 0 BFADLO CC(C)(COCc1ccccc1)[NH2+]CC(F)F ZINC000307413589 386647963 /nfs/dbraw/zinc/64/79/63/386647963.db2.gz IOLLYOSQHCLAMC-UHFFFAOYSA-N 1 2 243.297 2.837 20 0 BFADLO Cc1cn2cc(NC(=O)C=C3CCC3)ccc2[nH+]1 ZINC000267952073 386600711 /nfs/dbraw/zinc/60/07/11/386600711.db2.gz HEGNHOHORFUHAP-UHFFFAOYSA-N 1 2 241.294 2.692 20 0 BFADLO CCC[C@H](C)C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000520242103 386617674 /nfs/dbraw/zinc/61/76/74/386617674.db2.gz ZMBTXZGNPXJNIF-VIFPVBQESA-N 1 2 237.347 2.506 20 0 BFADLO COc1ccncc1C[N@H+](C)Cc1occc1C ZINC000292435591 386670143 /nfs/dbraw/zinc/67/01/43/386670143.db2.gz WMOXPMBUUBVWNQ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccncc1C[N@@H+](C)Cc1occc1C ZINC000292435591 386670150 /nfs/dbraw/zinc/67/01/50/386670150.db2.gz WMOXPMBUUBVWNQ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1c[nH+]ccc1CCNc1cccc(F)n1 ZINC000301851884 386682447 /nfs/dbraw/zinc/68/24/47/386682447.db2.gz PRHSUUIHVLAYKW-UHFFFAOYSA-N 1 2 231.274 2.579 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000335527950 386672771 /nfs/dbraw/zinc/67/27/71/386672771.db2.gz MNMUZQAGHBRTJL-RYUDHWBXSA-N 1 2 232.327 2.929 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)ns1 ZINC000335528674 386674829 /nfs/dbraw/zinc/67/48/29/386674829.db2.gz QFFIRSDUBIWWDW-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC(F)(F)F ZINC000335531576 386680296 /nfs/dbraw/zinc/68/02/96/386680296.db2.gz SZPFUNYUPYECMH-UHFFFAOYSA-N 1 2 232.205 2.589 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCc1ccoc1 ZINC000425583474 386657795 /nfs/dbraw/zinc/65/77/95/386657795.db2.gz AJHBRCKMKDYWFQ-UHFFFAOYSA-N 1 2 244.294 2.863 20 0 BFADLO CC1(C)CCCC[C@@H]1CC(=O)NCc1c[nH+]c[nH]1 ZINC000330421763 386711036 /nfs/dbraw/zinc/71/10/36/386711036.db2.gz ZUHDSRGPEOMIPN-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO CC1(C)CCCC[C@@H]1CC(=O)NCc1c[nH]c[nH+]1 ZINC000330421763 386711041 /nfs/dbraw/zinc/71/10/41/386711041.db2.gz ZUHDSRGPEOMIPN-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO COC(=O)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000246873880 386683080 /nfs/dbraw/zinc/68/30/80/386683080.db2.gz JLUCTUIWRPNYPV-IACUBPJLSA-N 1 2 247.338 2.679 20 0 BFADLO CCC1(CNc2nc[nH+]c(N)c2Cl)CCC1 ZINC000233016554 386686245 /nfs/dbraw/zinc/68/62/45/386686245.db2.gz XVOABARHYWLYPK-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CCC1(CNc2[nH+]cnc(N)c2Cl)CCC1 ZINC000233016554 386686252 /nfs/dbraw/zinc/68/62/52/386686252.db2.gz XVOABARHYWLYPK-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO CC[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279483712 386687080 /nfs/dbraw/zinc/68/70/80/386687080.db2.gz XAJZEYBPJUFNHI-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO CC[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279483712 386687084 /nfs/dbraw/zinc/68/70/84/386687084.db2.gz XAJZEYBPJUFNHI-UHFFFAOYSA-N 1 2 224.251 2.614 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1coc(C)n1 ZINC000647956764 386698060 /nfs/dbraw/zinc/69/80/60/386698060.db2.gz FAHFAADLTHEFTL-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1coc(C)n1 ZINC000647956764 386698061 /nfs/dbraw/zinc/69/80/61/386698061.db2.gz FAHFAADLTHEFTL-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC(C)CC1 ZINC000121480981 386712050 /nfs/dbraw/zinc/71/20/50/386712050.db2.gz UYUURBNEUCZMQY-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1ccc(COc2nc(C(C)C)no2)c(C)[nH+]1 ZINC000186615489 386734782 /nfs/dbraw/zinc/73/47/82/386734782.db2.gz VDFFNTOJAJLEII-UHFFFAOYSA-N 1 2 247.298 2.784 20 0 BFADLO c1n[nH]c2c1CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000645100469 386717514 /nfs/dbraw/zinc/71/75/14/386717514.db2.gz KGFWRBKGPGRCPB-ZDUSSCGKSA-N 1 2 231.343 2.657 20 0 BFADLO c1n[nH]c2c1CC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000645100469 386717520 /nfs/dbraw/zinc/71/75/20/386717520.db2.gz KGFWRBKGPGRCPB-ZDUSSCGKSA-N 1 2 231.343 2.657 20 0 BFADLO Cc1cn2c(n1)C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000645117464 386729107 /nfs/dbraw/zinc/72/91/07/386729107.db2.gz JQIAMNHAVJARPP-CQSZACIVSA-N 1 2 245.370 2.896 20 0 BFADLO Cc1cn2c(n1)C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000645117464 386729115 /nfs/dbraw/zinc/72/91/15/386729115.db2.gz JQIAMNHAVJARPP-CQSZACIVSA-N 1 2 245.370 2.896 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1cccnc1Cl ZINC000292921639 386749338 /nfs/dbraw/zinc/74/93/38/386749338.db2.gz BUUDHUFUGVUAME-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1cccnc1Cl ZINC000292921639 386749342 /nfs/dbraw/zinc/74/93/42/386749342.db2.gz BUUDHUFUGVUAME-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000292949743 386754058 /nfs/dbraw/zinc/75/40/58/386754058.db2.gz IOYQRQWWZAZZLY-IVZWLZJFSA-N 1 2 240.372 2.691 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000292949743 386754062 /nfs/dbraw/zinc/75/40/62/386754062.db2.gz IOYQRQWWZAZZLY-IVZWLZJFSA-N 1 2 240.372 2.691 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cocn2)c(C)o1 ZINC000192299664 386754697 /nfs/dbraw/zinc/75/46/97/386754697.db2.gz SQOXLGGBUCUCAC-SECBINFHSA-N 1 2 220.272 2.735 20 0 BFADLO CC[C@H]([NH2+]Cc1cocn1)c1c(C)noc1C ZINC000192337293 386764033 /nfs/dbraw/zinc/76/40/33/386764033.db2.gz RRUIDOLHLLGDSC-NSHDSACASA-N 1 2 235.287 2.520 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000293039613 386768560 /nfs/dbraw/zinc/76/85/60/386768560.db2.gz MAWNNGOHGZYHRR-VIFPVBQESA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC000293039613 386768565 /nfs/dbraw/zinc/76/85/65/386768565.db2.gz MAWNNGOHGZYHRR-VIFPVBQESA-N 1 2 229.245 2.899 20 0 BFADLO CCOc1cc(NCc2[nH+]ccn2C)ccc1C ZINC000269317078 386779865 /nfs/dbraw/zinc/77/98/65/386779865.db2.gz MRVOQPCCOSPPNH-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO c1cc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)cs1 ZINC000280583825 386823801 /nfs/dbraw/zinc/82/38/01/386823801.db2.gz XBQKRGXRIQTRBW-LBPRGKRZSA-N 1 2 233.340 2.808 20 0 BFADLO c1cc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)cs1 ZINC000280583825 386823805 /nfs/dbraw/zinc/82/38/05/386823805.db2.gz XBQKRGXRIQTRBW-LBPRGKRZSA-N 1 2 233.340 2.808 20 0 BFADLO CCOc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000301224646 386824208 /nfs/dbraw/zinc/82/42/08/386824208.db2.gz CSFDVAWNRBRBGF-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO Cc1ccc(OCCNc2cc(C)[nH+]cn2)cc1 ZINC000301240444 386825337 /nfs/dbraw/zinc/82/53/37/386825337.db2.gz MCSWMENOVADLHD-UHFFFAOYSA-N 1 2 243.310 2.584 20 0 BFADLO CCc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1 ZINC000398468533 386830055 /nfs/dbraw/zinc/83/00/55/386830055.db2.gz MJQNCZOAEMVSFX-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000293572023 386839868 /nfs/dbraw/zinc/83/98/68/386839868.db2.gz HAQWHYXBWMTXBW-LBPRGKRZSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000293572023 386839872 /nfs/dbraw/zinc/83/98/72/386839872.db2.gz HAQWHYXBWMTXBW-LBPRGKRZSA-N 1 2 243.709 2.700 20 0 BFADLO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]cn2)C12CCC2 ZINC000301422194 386842151 /nfs/dbraw/zinc/84/21/51/386842151.db2.gz NYKFBVAVKNROJI-RYUDHWBXSA-N 1 2 247.342 2.545 20 0 BFADLO c1n[nH]c([C@@H]([NH2+]C2CCC2)C2CCCCC2)n1 ZINC000330271828 386842929 /nfs/dbraw/zinc/84/29/29/386842929.db2.gz WPCMGROYEFUJRV-LBPRGKRZSA-N 1 2 234.347 2.568 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000341125676 386843842 /nfs/dbraw/zinc/84/38/42/386843842.db2.gz KXKVZOHUXHIJTL-NXEZZACHSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2)nc1 ZINC000341140406 386846037 /nfs/dbraw/zinc/84/60/37/386846037.db2.gz UYHRWAWDNYWGRC-LBPRGKRZSA-N 1 2 227.311 2.636 20 0 BFADLO Cc1cc(N(C)C[C@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000301497613 386847180 /nfs/dbraw/zinc/84/71/80/386847180.db2.gz BVBTXHREEAIWRY-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc2nc(C[NH2+]Cc3ccoc3)cn2c1 ZINC000341153050 386847238 /nfs/dbraw/zinc/84/72/38/386847238.db2.gz RWZLSCVUVSSIGF-UHFFFAOYSA-N 1 2 241.294 2.526 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000293619140 386849567 /nfs/dbraw/zinc/84/95/67/386849567.db2.gz QFGXFANHOFUYNZ-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000293619140 386849571 /nfs/dbraw/zinc/84/95/71/386849571.db2.gz QFGXFANHOFUYNZ-JTQLQIEISA-N 1 2 243.709 2.700 20 0 BFADLO Cc1ccc(CCNc2nc(C(C)C)no2)c[nH+]1 ZINC000301560487 386855589 /nfs/dbraw/zinc/85/55/89/386855589.db2.gz IRTOOPVPTPPJQA-UHFFFAOYSA-N 1 2 246.314 2.551 20 0 BFADLO CSCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301593318 386858695 /nfs/dbraw/zinc/85/86/95/386858695.db2.gz ZRTSFQNYPBYXMG-UHFFFAOYSA-N 1 2 239.388 2.708 20 0 BFADLO Cc1c[nH+]c(CNc2cccc(F)c2C)n1C ZINC000341266290 386872772 /nfs/dbraw/zinc/87/27/72/386872772.db2.gz VYAAOSYVLTUIQX-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO Cc1c[nH+]c(CNc2cc(C)ccc2F)n1C ZINC000341271081 386872861 /nfs/dbraw/zinc/87/28/61/386872861.db2.gz KJBRYJKXMVBAFZ-UHFFFAOYSA-N 1 2 233.290 2.788 20 0 BFADLO CN(CCC1CC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000301816623 386879967 /nfs/dbraw/zinc/87/99/67/386879967.db2.gz HHOCBSPAXUGKMS-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CN(CCC1CC1)c1cc(NCC2CC2)nc[nH+]1 ZINC000301816623 386879972 /nfs/dbraw/zinc/87/99/72/386879972.db2.gz HHOCBSPAXUGKMS-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CCCCNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301831510 386881638 /nfs/dbraw/zinc/88/16/38/386881638.db2.gz IMFDGDFTRXDCOK-UHFFFAOYSA-N 1 2 247.346 2.793 20 0 BFADLO Cc1cc(NCC2CCCC2)nc(C2CC2)[nH+]1 ZINC000341514975 386914427 /nfs/dbraw/zinc/91/44/27/386914427.db2.gz XCLCPJWIOWLXQO-UHFFFAOYSA-N 1 2 231.343 2.686 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)Cc2cc[nH]n2)o1 ZINC000349654633 386906012 /nfs/dbraw/zinc/90/60/12/386906012.db2.gz MYEBHWWEGXKVRH-GWCFXTLKSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)Cc2cc[nH]n2)o1 ZINC000349654633 386906015 /nfs/dbraw/zinc/90/60/15/386906015.db2.gz MYEBHWWEGXKVRH-GWCFXTLKSA-N 1 2 245.326 2.758 20 0 BFADLO C[C@@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000456404926 386920578 /nfs/dbraw/zinc/92/05/78/386920578.db2.gz XCZMSNWVKDNPEO-VWYCJHECSA-N 1 2 249.358 2.687 20 0 BFADLO CC(C)c1nc(N[C@@H]2C[C@@H]3OCCC[C@H]23)cc[nH+]1 ZINC000302601093 386927823 /nfs/dbraw/zinc/92/78/23/386927823.db2.gz YOBBFABCABQQKI-UTUOFQBUSA-N 1 2 247.342 2.579 20 0 BFADLO C[C@H](CC1CCCCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000331087528 386957964 /nfs/dbraw/zinc/95/79/64/386957964.db2.gz QUMPOWFBCSFJLL-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO C[C@H](CC1CCCCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000331087528 386957967 /nfs/dbraw/zinc/95/79/67/386957967.db2.gz QUMPOWFBCSFJLL-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)C1CCC1 ZINC000334826428 386958714 /nfs/dbraw/zinc/95/87/14/386958714.db2.gz CTAVRMJXSOEFPT-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO Fc1ccc2cc[nH+]c(NC[C@H]3CCCO3)c2c1 ZINC000334893672 386967610 /nfs/dbraw/zinc/96/76/10/386967610.db2.gz RRITUZNDHORUOX-GFCCVEGCSA-N 1 2 246.285 2.965 20 0 BFADLO CC(C)(C)c1csc(Cn2cc[nH+]c2)n1 ZINC000094934905 386969761 /nfs/dbraw/zinc/96/97/61/386969761.db2.gz LSMCTQWGKVILDA-UHFFFAOYSA-N 1 2 221.329 2.685 20 0 BFADLO C[C@@H](CCn1cc[nH+]c1)OCc1ccccc1 ZINC000352933220 386971328 /nfs/dbraw/zinc/97/13/28/386971328.db2.gz WMYQPQDANSAIOU-ZDUSSCGKSA-N 1 2 230.311 2.879 20 0 BFADLO COc1cc(F)cc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000312394800 386980708 /nfs/dbraw/zinc/98/07/08/386980708.db2.gz HRAUXVQXXASHQW-ZETCQYMHSA-N 1 2 233.233 2.578 20 0 BFADLO C/C=C\CSCc1c[nH+]ccc1OC ZINC000341898436 386994671 /nfs/dbraw/zinc/99/46/71/386994671.db2.gz FRVQNVQWNMANMS-ARJAWSKDSA-N 1 2 209.314 2.900 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@H]2CS3)nc(C(C)C)[nH+]1 ZINC000334818648 386948232 /nfs/dbraw/zinc/94/82/32/386948232.db2.gz OIZLRZWXDKCWFE-QWRGUYRKSA-N 1 2 249.383 2.603 20 0 BFADLO CC[C@@H]1CCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000425389260 387037840 /nfs/dbraw/zinc/03/78/40/387037840.db2.gz YSBFTHLOYBZAKS-MRVPVSSYSA-N 1 2 245.273 2.772 20 0 BFADLO CC[C@@H]1CCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000425389260 387037844 /nfs/dbraw/zinc/03/78/44/387037844.db2.gz YSBFTHLOYBZAKS-MRVPVSSYSA-N 1 2 245.273 2.772 20 0 BFADLO c1c[nH+]c(COC[C@@H]2C[C@@H]2c2ccccc2)[nH]1 ZINC000359173991 387064903 /nfs/dbraw/zinc/06/49/03/387064903.db2.gz YZPLXJOQCAQZTL-QWHCGFSZSA-N 1 2 228.295 2.730 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2CC[C@@H]2C)c(C)[nH+]1 ZINC000334939983 387017662 /nfs/dbraw/zinc/01/76/62/387017662.db2.gz YRCCSNCJFIWNCH-KWQFWETISA-N 1 2 233.315 2.618 20 0 BFADLO Cc1cnc(C[NH+]2CC(CC(F)F)C2)s1 ZINC000425368638 387026526 /nfs/dbraw/zinc/02/65/26/387026526.db2.gz XIARMNGNWHCTGA-UHFFFAOYSA-N 1 2 232.299 2.539 20 0 BFADLO CCc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)nc[nH+]1 ZINC000645381006 387076541 /nfs/dbraw/zinc/07/65/41/387076541.db2.gz DDUNLZSFKBVVPC-ADEWGFFLSA-N 1 2 217.316 2.640 20 0 BFADLO C[C@H](C[C@H](C)O)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000228132361 387079784 /nfs/dbraw/zinc/07/97/84/387079784.db2.gz JCKBKMBUWLWTCU-SFYZADRCSA-N 1 2 248.248 2.672 20 0 BFADLO CC(C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066850305 387092146 /nfs/dbraw/zinc/09/21/46/387092146.db2.gz IRWQWFVAJOTPKB-CYBMUJFWSA-N 1 2 241.281 2.747 20 0 BFADLO CC(C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000066850305 387092151 /nfs/dbraw/zinc/09/21/51/387092151.db2.gz IRWQWFVAJOTPKB-CYBMUJFWSA-N 1 2 241.281 2.747 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)o1 ZINC000228578256 387093820 /nfs/dbraw/zinc/09/38/20/387093820.db2.gz NRSBPRWGFPMHMJ-UWVGGRQHSA-N 1 2 249.289 2.929 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H](C)CC2)no1 ZINC000068827978 387107848 /nfs/dbraw/zinc/10/78/48/387107848.db2.gz FHHNGCOQIZRZMZ-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H](C)CC2)no1 ZINC000068827978 387107852 /nfs/dbraw/zinc/10/78/52/387107852.db2.gz FHHNGCOQIZRZMZ-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1Cn1cccn1 ZINC000334950363 387115157 /nfs/dbraw/zinc/11/51/57/387115157.db2.gz KBSHUNSSTKLWCD-UHFFFAOYSA-N 1 2 215.300 2.758 20 0 BFADLO CC[NH+](CC)Cc1noc(Cc2ccccc2)n1 ZINC000069219965 387116547 /nfs/dbraw/zinc/11/65/47/387116547.db2.gz SJVPLYZNXITYSW-UHFFFAOYSA-N 1 2 245.326 2.502 20 0 BFADLO c1coc([C@H]2COCC[N@H+]2Cc2cccs2)c1 ZINC000369775708 387068307 /nfs/dbraw/zinc/06/83/07/387068307.db2.gz YOIXCCGPXMGYEX-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc([C@H]2COCC[N@@H+]2Cc2cccs2)c1 ZINC000369775708 387068314 /nfs/dbraw/zinc/06/83/14/387068314.db2.gz YOIXCCGPXMGYEX-GFCCVEGCSA-N 1 2 249.335 2.915 20 0 BFADLO C[C@@H]([NH2+]Cc1cccnc1)c1c(F)cncc1F ZINC000353122706 387143597 /nfs/dbraw/zinc/14/35/97/387143597.db2.gz WGGMSHLZBDJARF-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO CC(C)(C)OCC[N@@H+]1CCC[C@H]1C(F)F ZINC000353169880 387148130 /nfs/dbraw/zinc/14/81/30/387148130.db2.gz JTMJOPDIKFSMQY-VIFPVBQESA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)(C)OCC[N@H+]1CCC[C@H]1C(F)F ZINC000353169880 387148133 /nfs/dbraw/zinc/14/81/33/387148133.db2.gz JTMJOPDIKFSMQY-VIFPVBQESA-N 1 2 221.291 2.531 20 0 BFADLO CCCCc1noc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000186949923 387148295 /nfs/dbraw/zinc/14/82/95/387148295.db2.gz AUSOWBUNCLIVIP-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO CCCCc1noc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000186949923 387148302 /nfs/dbraw/zinc/14/83/02/387148302.db2.gz AUSOWBUNCLIVIP-UHFFFAOYSA-N 1 2 249.358 2.788 20 0 BFADLO C[C@H](F)CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000352403721 387148341 /nfs/dbraw/zinc/14/83/41/387148341.db2.gz XCLDLLWRNBCNFJ-IUCAKERBSA-N 1 2 209.255 2.712 20 0 BFADLO C[C@H](F)CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000352403721 387148344 /nfs/dbraw/zinc/14/83/44/387148344.db2.gz XCLDLLWRNBCNFJ-IUCAKERBSA-N 1 2 209.255 2.712 20 0 BFADLO FCCCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353186829 387153390 /nfs/dbraw/zinc/15/33/90/387153390.db2.gz DELFUKDQJLXWET-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO FCCCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353186829 387153397 /nfs/dbraw/zinc/15/33/97/387153397.db2.gz DELFUKDQJLXWET-SECBINFHSA-N 1 2 209.255 2.856 20 0 BFADLO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccnc1 ZINC000120081454 387157081 /nfs/dbraw/zinc/15/70/81/387157081.db2.gz XYIDGYVQUMQRHC-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccnc1 ZINC000120081454 387157086 /nfs/dbraw/zinc/15/70/86/387157086.db2.gz XYIDGYVQUMQRHC-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccs2)c(C)n1 ZINC000187107689 387167993 /nfs/dbraw/zinc/16/79/93/387167993.db2.gz SBZHUCHBKIUUPU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)c(C)n1 ZINC000187107689 387168003 /nfs/dbraw/zinc/16/80/03/387168003.db2.gz SBZHUCHBKIUUPU-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cn1ccc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000359823832 387169898 /nfs/dbraw/zinc/16/98/98/387169898.db2.gz XKGRPVSNDYECDK-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cc(NCCC2(C)CC2)nc(C2CC2)[nH+]1 ZINC000359837922 387174315 /nfs/dbraw/zinc/17/43/15/387174315.db2.gz CPFPFFDBGBPNIR-UHFFFAOYSA-N 1 2 231.343 2.686 20 0 BFADLO Clc1cnc(Cn2cc[nH+]c2)c(Cl)c1 ZINC000336347585 387177107 /nfs/dbraw/zinc/17/71/07/387177107.db2.gz QTKSZFMVKWDLNI-UHFFFAOYSA-N 1 2 228.082 2.633 20 0 BFADLO OCCC[N@H+](CCC1CC1)c1ccccc1 ZINC000359870317 387180556 /nfs/dbraw/zinc/18/05/56/387180556.db2.gz FJOHCXPAKYJUKY-UHFFFAOYSA-N 1 2 219.328 2.676 20 0 BFADLO OCCC[N@@H+](CCC1CC1)c1ccccc1 ZINC000359870317 387180561 /nfs/dbraw/zinc/18/05/61/387180561.db2.gz FJOHCXPAKYJUKY-UHFFFAOYSA-N 1 2 219.328 2.676 20 0 BFADLO COC(=O)[C@H]([NH2+]CCC(C)C)c1ccccc1C ZINC000120405848 387185730 /nfs/dbraw/zinc/18/57/30/387185730.db2.gz OBRSOHHDBAPPSA-CQSZACIVSA-N 1 2 249.354 2.845 20 0 BFADLO CC(C)c1nc(N2C[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000370676457 387133964 /nfs/dbraw/zinc/13/39/64/387133964.db2.gz KKNRCYOVFCTMPM-VXGBXAGGSA-N 1 2 231.343 2.979 20 0 BFADLO CCCC[C@@H](CC)C[N@H+](CCO)CC(F)F ZINC000194860585 387206697 /nfs/dbraw/zinc/20/66/97/387206697.db2.gz PAYKNURLGGSYIW-LLVKDONJSA-N 1 2 237.334 2.762 20 0 BFADLO CCCC[C@@H](CC)C[N@@H+](CCO)CC(F)F ZINC000194860585 387206703 /nfs/dbraw/zinc/20/67/03/387206703.db2.gz PAYKNURLGGSYIW-LLVKDONJSA-N 1 2 237.334 2.762 20 0 BFADLO CO[C@@H](C)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292847808 387206838 /nfs/dbraw/zinc/20/68/38/387206838.db2.gz VKRHYJXUSBCCCH-ONGXEEELSA-N 1 2 229.270 2.617 20 0 BFADLO c1ccc2[nH+]c(N3CC4CCC3CC4)[nH]c2c1 ZINC000371442978 387213566 /nfs/dbraw/zinc/21/35/66/387213566.db2.gz MSPSRIYJHVERDO-UHFFFAOYSA-N 1 2 227.311 2.942 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353540776 387226083 /nfs/dbraw/zinc/22/60/83/387226083.db2.gz FVBINLQCMMIBQV-QWRGUYRKSA-N 1 2 241.310 2.653 20 0 BFADLO CC[C@H](F)C[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000353540776 387226089 /nfs/dbraw/zinc/22/60/89/387226089.db2.gz FVBINLQCMMIBQV-QWRGUYRKSA-N 1 2 241.310 2.653 20 0 BFADLO CC(=O)NCCC[N@@H+](CC(C)C)c1ccccc1 ZINC000353574921 387233378 /nfs/dbraw/zinc/23/33/78/387233378.db2.gz NORRSLPDLNYVEB-UHFFFAOYSA-N 1 2 248.370 2.675 20 0 BFADLO CC(=O)NCCC[N@H+](CC(C)C)c1ccccc1 ZINC000353574921 387233380 /nfs/dbraw/zinc/23/33/80/387233380.db2.gz NORRSLPDLNYVEB-UHFFFAOYSA-N 1 2 248.370 2.675 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC1CCC(C)CC1 ZINC000360211561 387246242 /nfs/dbraw/zinc/24/62/42/387246242.db2.gz FGYJCHBZIBVMKN-UHFFFAOYSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1nc(N(C)C2CCC(C)CC2)cc[nH+]1 ZINC000360216954 387246282 /nfs/dbraw/zinc/24/62/82/387246282.db2.gz BZLOWIAVWZBZFW-UHFFFAOYSA-N 1 2 219.332 2.800 20 0 BFADLO c1[nH+]c2c(cc1NC[C@H]1CCCOC1)CCCC2 ZINC000359947898 387198084 /nfs/dbraw/zinc/19/80/84/387198084.db2.gz UVTFHAUXUFUTCO-GFCCVEGCSA-N 1 2 246.354 2.799 20 0 BFADLO CCc1cc(NCc2[nH+]ccn2C)ccc1C ZINC000301757814 387264265 /nfs/dbraw/zinc/26/42/65/387264265.db2.gz OAAANCYFDJDCIU-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](C)C1 ZINC000120771603 387269516 /nfs/dbraw/zinc/26/95/16/387269516.db2.gz ANIQGTFWUZFZQC-JTQLQIEISA-N 1 2 233.315 2.654 20 0 BFADLO C[C@@H]1C[C@H]1CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000353776039 387272912 /nfs/dbraw/zinc/27/29/12/387272912.db2.gz UYPSPSZPWYFTKT-GRYCIOLGSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1occc1CNc1c[nH+]cc(C)c1 ZINC000321542247 387273954 /nfs/dbraw/zinc/27/39/54/387273954.db2.gz KXVKMZUOKLHITH-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1cc[nH]c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000336455226 387282652 /nfs/dbraw/zinc/28/26/52/387282652.db2.gz WBQDUCADPDUQGX-UHFFFAOYSA-N 1 2 229.283 2.587 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000336462949 387292977 /nfs/dbraw/zinc/29/29/77/387292977.db2.gz UHPRVXVOOUCAID-WCBMZHEXSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc[nH]n1 ZINC000336462949 387292981 /nfs/dbraw/zinc/29/29/81/387292981.db2.gz UHPRVXVOOUCAID-WCBMZHEXSA-N 1 2 247.264 2.573 20 0 BFADLO CCC[C@@H](O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354342868 387362079 /nfs/dbraw/zinc/36/20/79/387362079.db2.gz HIDSCSWQPVFMDD-GFCCVEGCSA-N 1 2 248.301 2.947 20 0 BFADLO CC(C)c1nc(N2C[C@H](C)C[C@@H]2C)cc[nH+]1 ZINC000354354009 387363677 /nfs/dbraw/zinc/36/36/77/387363677.db2.gz RFSYOGQYWIFMGE-MNOVXSKESA-N 1 2 219.332 2.835 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336552850 387375819 /nfs/dbraw/zinc/37/58/19/387375819.db2.gz FHNXXJMJWDPXRB-AWEZNQCLSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1ccnc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336552850 387375822 /nfs/dbraw/zinc/37/58/22/387375822.db2.gz FHNXXJMJWDPXRB-AWEZNQCLSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336554343 387378854 /nfs/dbraw/zinc/37/88/54/387378854.db2.gz ZSTYSWBJVDVEIA-ZDUSSCGKSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000336554343 387378856 /nfs/dbraw/zinc/37/88/56/387378856.db2.gz ZSTYSWBJVDVEIA-ZDUSSCGKSA-N 1 2 228.295 2.930 20 0 BFADLO COC(=O)[C@H]([NH2+]CCC1(C)CC1)c1ccccc1 ZINC000360617784 387324442 /nfs/dbraw/zinc/32/44/42/387324442.db2.gz GNWHJLJAJDBAEI-CYBMUJFWSA-N 1 2 247.338 2.681 20 0 BFADLO C[C@@H]1OCC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000360802509 387352895 /nfs/dbraw/zinc/35/28/95/387352895.db2.gz DJSOSGLXMUKSLO-GWCFXTLKSA-N 1 2 232.327 2.550 20 0 BFADLO CC[C@@H](C)CCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000354762727 387427440 /nfs/dbraw/zinc/42/74/40/387427440.db2.gz BLPFTXDAKWBRFG-MNOVXSKESA-N 1 2 237.347 2.803 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C3CC3)C2)cc[nH+]1 ZINC000374318950 387443302 /nfs/dbraw/zinc/44/33/02/387443302.db2.gz UGDSDXJEZQNURN-GFCCVEGCSA-N 1 2 231.343 2.836 20 0 BFADLO Cn1c[nH+]cc1CSc1cccc(F)c1 ZINC000336566999 387391426 /nfs/dbraw/zinc/39/14/26/387391426.db2.gz HBSPIROFOORKJD-UHFFFAOYSA-N 1 2 222.288 2.852 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336570513 387395031 /nfs/dbraw/zinc/39/50/31/387395031.db2.gz PZESALXCDHYGLF-GXFFZTMASA-N 1 2 243.310 2.886 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336570513 387395033 /nfs/dbraw/zinc/39/50/33/387395033.db2.gz PZESALXCDHYGLF-GXFFZTMASA-N 1 2 243.310 2.886 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000121723707 387404011 /nfs/dbraw/zinc/40/40/11/387404011.db2.gz ZZWOLTFKIYQQMZ-GHMZBOCLSA-N 1 2 233.315 2.795 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1c[nH]nc1C(C)(C)C ZINC000352649129 387404922 /nfs/dbraw/zinc/40/49/22/387404922.db2.gz IAXIMSUFOOAHKL-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1c[nH]nc1C(C)(C)C ZINC000352649129 387404928 /nfs/dbraw/zinc/40/49/28/387404928.db2.gz IAXIMSUFOOAHKL-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO CCCC[C@@H]([NH2+]CCc1ccccc1)C(=O)OC ZINC000083381200 387406309 /nfs/dbraw/zinc/40/63/09/387406309.db2.gz LMHWRAUNGZNASF-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000424768242 387409265 /nfs/dbraw/zinc/40/92/65/387409265.db2.gz AEKAEKGUTUIRJM-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO CC[N@H+](CCCc1ccc(C)nc1)CC(F)F ZINC000354678541 387413977 /nfs/dbraw/zinc/41/39/77/387413977.db2.gz RHZWFMZPNOSTSR-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO CC[N@@H+](CCCc1ccc(C)nc1)CC(F)F ZINC000354678541 387413980 /nfs/dbraw/zinc/41/39/80/387413980.db2.gz RHZWFMZPNOSTSR-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO COC(=O)[C@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000042223784 387508427 /nfs/dbraw/zinc/50/84/27/387508427.db2.gz UFVVLNGKQGZVAQ-CQSZACIVSA-N 1 2 249.354 2.591 20 0 BFADLO Clc1cnc(C[NH+]2CCCCC2)s1 ZINC000307091359 387529577 /nfs/dbraw/zinc/52/95/77/387529577.db2.gz XIGVPXMBSFUELD-UHFFFAOYSA-N 1 2 216.737 2.782 20 0 BFADLO FCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000310210490 387535583 /nfs/dbraw/zinc/53/55/83/387535583.db2.gz GJKMAGSHORNCHC-CQSZACIVSA-N 1 2 230.286 2.730 20 0 BFADLO CCN(CC)c1ccc(NCC2(F)CC2)c[nH+]1 ZINC000527232817 387541158 /nfs/dbraw/zinc/54/11/58/387541158.db2.gz CZAPGMHBTYNQAJ-UHFFFAOYSA-N 1 2 237.322 2.842 20 0 BFADLO COc1c(C)c[nH+]c(CN2[C@H](C)C[C@@H]2C)c1C ZINC000336622752 387475867 /nfs/dbraw/zinc/47/58/67/387475867.db2.gz LESBKLWFBSPATP-PHIMTYICSA-N 1 2 234.343 2.690 20 0 BFADLO CC[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(F)F ZINC000648619305 387582494 /nfs/dbraw/zinc/58/24/94/387582494.db2.gz RBTZBWJVWABHJS-VIFPVBQESA-N 1 2 239.269 2.696 20 0 BFADLO FC1(C[N@@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000527509565 387587722 /nfs/dbraw/zinc/58/77/22/387587722.db2.gz YFSAKWLGYUKCJF-JTQLQIEISA-N 1 2 241.331 2.624 20 0 BFADLO FC1(C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000527509565 387587724 /nfs/dbraw/zinc/58/77/24/387587724.db2.gz YFSAKWLGYUKCJF-JTQLQIEISA-N 1 2 241.331 2.624 20 0 BFADLO Cc1cc(N[C@H]2C[C@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000362374679 387603490 /nfs/dbraw/zinc/60/34/90/387603490.db2.gz XUIJCSOZEQQSCU-RYUDHWBXSA-N 1 2 231.343 2.541 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000430264968 387603553 /nfs/dbraw/zinc/60/35/53/387603553.db2.gz CPAFYLDWJPGGHG-LLVKDONJSA-N 1 2 249.358 2.666 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000430264968 387603557 /nfs/dbraw/zinc/60/35/57/387603557.db2.gz CPAFYLDWJPGGHG-LLVKDONJSA-N 1 2 249.358 2.666 20 0 BFADLO Fc1ccc(COc2cc[nH+]cc2)cc1F ZINC000356087389 387614529 /nfs/dbraw/zinc/61/45/29/387614529.db2.gz DCUWXDKEVHNWLR-UHFFFAOYSA-N 1 2 221.206 2.939 20 0 BFADLO Fc1cccc2c1OCC[N@H+](CC1(F)CC1)C2 ZINC000527237389 387546187 /nfs/dbraw/zinc/54/61/87/387546187.db2.gz YXZLSSXBPVOVPF-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO Fc1cccc2c1OCC[N@@H+](CC1(F)CC1)C2 ZINC000527237389 387546192 /nfs/dbraw/zinc/54/61/92/387546192.db2.gz YXZLSSXBPVOVPF-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO CCC1(C[NH2+][C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000426193483 387549384 /nfs/dbraw/zinc/54/93/84/387549384.db2.gz IPIWSRCIIADEEK-CYBMUJFWSA-N 1 2 247.338 2.681 20 0 BFADLO COC(=O)[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000355649805 387561865 /nfs/dbraw/zinc/56/18/65/387561865.db2.gz GSRNGYGVZTZQMQ-VIFPVBQESA-N 1 2 249.335 2.552 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccn(C)c2)CC1(F)F ZINC000426383545 387562908 /nfs/dbraw/zinc/56/29/08/387562908.db2.gz BKJCGBBYGIXNTR-JTQLQIEISA-N 1 2 228.286 2.502 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccn(C)c2)CC1(F)F ZINC000426383545 387562909 /nfs/dbraw/zinc/56/29/09/387562909.db2.gz BKJCGBBYGIXNTR-JTQLQIEISA-N 1 2 228.286 2.502 20 0 BFADLO c1c[nH+]c(-c2ccc(OC3CC3)cc2)[nH]1 ZINC000527589791 387636536 /nfs/dbraw/zinc/63/65/36/387636536.db2.gz UKKNQRNDBPABNX-UHFFFAOYSA-N 1 2 200.241 2.618 20 0 BFADLO Cc1noc(C)c1CNc1c[nH+]cc(C)c1 ZINC000125095314 387643038 /nfs/dbraw/zinc/64/30/38/387643038.db2.gz SCQOILDGXOWKQF-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000440767416 387685806 /nfs/dbraw/zinc/68/58/06/387685806.db2.gz UGXVSSKSSKDKFL-MNOVXSKESA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000440767416 387685813 /nfs/dbraw/zinc/68/58/13/387685813.db2.gz UGXVSSKSSKDKFL-MNOVXSKESA-N 1 2 245.338 2.541 20 0 BFADLO COC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000115907293 387750485 /nfs/dbraw/zinc/75/04/85/387750485.db2.gz MYTTUFNYZPLVAP-UHFFFAOYSA-N 1 2 243.262 2.969 20 0 BFADLO CO[C@H](C)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000128742730 387753781 /nfs/dbraw/zinc/75/37/81/387753781.db2.gz NDTJTMHWTOVLLO-SNVBAGLBSA-N 1 2 231.299 2.729 20 0 BFADLO COc1ccccc1OCCNc1cccc[nH+]1 ZINC000019777118 387696999 /nfs/dbraw/zinc/69/69/99/387696999.db2.gz SDXBVUVGIIFZOF-UHFFFAOYSA-N 1 2 244.294 2.581 20 0 BFADLO CSCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126842913 387697533 /nfs/dbraw/zinc/69/75/33/387697533.db2.gz FXQVMDAUMMPVGE-UHFFFAOYSA-N 1 2 246.379 2.889 20 0 BFADLO CSCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126842913 387697538 /nfs/dbraw/zinc/69/75/38/387697538.db2.gz FXQVMDAUMMPVGE-UHFFFAOYSA-N 1 2 246.379 2.889 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000045021265 387701530 /nfs/dbraw/zinc/70/15/30/387701530.db2.gz NTSXFMJIEQSIPO-LBPRGKRZSA-N 1 2 245.326 2.709 20 0 BFADLO c1nc(C[NH2+][C@@H](c2ccccn2)C2CCC2)co1 ZINC000527773444 387705716 /nfs/dbraw/zinc/70/57/16/387705716.db2.gz QTNNMMJALFURRQ-CQSZACIVSA-N 1 2 243.310 2.701 20 0 BFADLO CC1=CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431423736 387707397 /nfs/dbraw/zinc/70/73/97/387707397.db2.gz VCZOESPOTYNWGA-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431428212 387708097 /nfs/dbraw/zinc/70/80/97/387708097.db2.gz CLKDDXOBKAFKPI-VHSXEESVSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@H]1CN(c2[nH+]c3ccc(F)cc3n2C)C[C@H]1C ZINC000431412955 387708179 /nfs/dbraw/zinc/70/81/79/387708179.db2.gz AFJIBQPGABQTTH-AOOOYVTPSA-N 1 2 247.317 2.805 20 0 BFADLO CC1=CCCN(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431432616 387711063 /nfs/dbraw/zinc/71/10/63/387711063.db2.gz JYUJPXLKCATCME-UHFFFAOYSA-N 1 2 245.301 2.869 20 0 BFADLO Cc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000431507638 387713133 /nfs/dbraw/zinc/71/31/33/387713133.db2.gz NZGLYEBUYIVMKS-UHFFFAOYSA-N 1 2 229.279 2.848 20 0 BFADLO Fc1cccc(F)c1COc1cc[nH+]cc1 ZINC000431487744 387713258 /nfs/dbraw/zinc/71/32/58/387713258.db2.gz ZBMHOXMTVQCICT-UHFFFAOYSA-N 1 2 221.206 2.939 20 0 BFADLO CN(C[C@H]1CCCO1)c1[nH+]ccc2ccccc21 ZINC000527877564 387767217 /nfs/dbraw/zinc/76/72/17/387767217.db2.gz WQGZWICNDSQEHC-CYBMUJFWSA-N 1 2 242.322 2.850 20 0 BFADLO CO[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527883478 387770514 /nfs/dbraw/zinc/77/05/14/387770514.db2.gz UIWZPQGOJWSSFX-CYBMUJFWSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1ccc(N[C@H](C)[C@@H]2CC23CC3)c[nH+]1 ZINC000527883737 387771092 /nfs/dbraw/zinc/77/10/92/387771092.db2.gz DMRIHBZVJOAGOW-PWSUYJOCSA-N 1 2 202.301 2.991 20 0 BFADLO COc1ccc[nH+]c1N1CCCC(C)(C)C1 ZINC000527890631 387774500 /nfs/dbraw/zinc/77/45/00/387774500.db2.gz CAASQHISKAOVOE-UHFFFAOYSA-N 1 2 220.316 2.717 20 0 BFADLO CN(C)c1ccc(NCc2ccccc2F)[nH+]c1 ZINC000150901654 387781255 /nfs/dbraw/zinc/78/12/55/387781255.db2.gz DHUCTYUAFGOXGO-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](OC)C(C)(C)C ZINC000527913370 387786853 /nfs/dbraw/zinc/78/68/53/387786853.db2.gz TXWNRZOREUIPQL-NSHDSACASA-N 1 2 238.331 2.563 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cscc1Cl ZINC000646235538 387791388 /nfs/dbraw/zinc/79/13/88/387791388.db2.gz FAPDXJSBBSRGRW-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cscc1Cl ZINC000646235538 387791394 /nfs/dbraw/zinc/79/13/94/387791394.db2.gz FAPDXJSBBSRGRW-VIFPVBQESA-N 1 2 231.748 2.622 20 0 BFADLO Fc1ccc(C[NH2+]Cc2cscn2)c(F)c1 ZINC000050198566 387791873 /nfs/dbraw/zinc/79/18/73/387791873.db2.gz DNKWSQMNKPKIMD-UHFFFAOYSA-N 1 2 240.278 2.711 20 0 BFADLO COc1ccc[nH+]c1N1CC[C@@H](C)C(F)(F)C1 ZINC000527988896 387803743 /nfs/dbraw/zinc/80/37/43/387803743.db2.gz ZGRLFPTZQVJQEE-SECBINFHSA-N 1 2 242.269 2.572 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334430 387805239 /nfs/dbraw/zinc/80/52/39/387805239.db2.gz MTKFELODQWGFSS-SNVBAGLBSA-N 1 2 235.331 2.594 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(F)F ZINC000450556412 387808225 /nfs/dbraw/zinc/80/82/25/387808225.db2.gz CBOIQIDHUBHQBD-SECBINFHSA-N 1 2 241.285 2.540 20 0 BFADLO COc1ccc[nH+]c1N1CCCC[C@@H](C)C1 ZINC000527964084 387811251 /nfs/dbraw/zinc/81/12/51/387811251.db2.gz GCTCNRVTZFEAGM-LLVKDONJSA-N 1 2 220.316 2.717 20 0 BFADLO COc1ccc[nH+]c1NCCC1(F)CCC1 ZINC000528022320 387826426 /nfs/dbraw/zinc/82/64/26/387826426.db2.gz XJODOPKKKBJFDS-UHFFFAOYSA-N 1 2 224.279 2.784 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1C[C@H]1C(C)C ZINC000528028129 387831602 /nfs/dbraw/zinc/83/16/02/387831602.db2.gz MHTICTGTRNPOFS-QWRGUYRKSA-N 1 2 220.316 2.794 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000432909188 387839269 /nfs/dbraw/zinc/83/92/69/387839269.db2.gz CZPNCHWBKRJRHA-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)Cc1cc(C)ccc1C ZINC000432909188 387839273 /nfs/dbraw/zinc/83/92/73/387839273.db2.gz CZPNCHWBKRJRHA-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cocn1)CC2 ZINC000432915851 387840758 /nfs/dbraw/zinc/84/07/58/387840758.db2.gz WGNXUZTZSZGWHP-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc(C)c2c(c1)C[N@H+](Cc1cocn1)CC2 ZINC000432915851 387840765 /nfs/dbraw/zinc/84/07/65/387840765.db2.gz WGNXUZTZSZGWHP-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO C[N@H+](Cc1cocn1)Cc1cccc2[nH]ccc21 ZINC000432929536 387843445 /nfs/dbraw/zinc/84/34/45/387843445.db2.gz XNSNVLUBZNQGOX-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cocn1)Cc1cccc2[nH]ccc21 ZINC000432929536 387843448 /nfs/dbraw/zinc/84/34/48/387843448.db2.gz XNSNVLUBZNQGOX-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CC[C@H](NC(=O)C[C@H]1CCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000442806563 387843793 /nfs/dbraw/zinc/84/37/93/387843793.db2.gz CFALJPNOISAYKB-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000442799981 387844227 /nfs/dbraw/zinc/84/42/27/387844227.db2.gz JJQPYVGWWSLCTQ-MXWKQRLJSA-N 1 2 237.347 2.659 20 0 BFADLO FC(F)[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000433039096 387854928 /nfs/dbraw/zinc/85/49/28/387854928.db2.gz KCAYCLUCFFCPAW-JQWIXIFHSA-N 1 2 241.281 2.619 20 0 BFADLO FC(F)[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000433039098 387855176 /nfs/dbraw/zinc/85/51/76/387855176.db2.gz KCAYCLUCFFCPAW-ZYHUDNBSSA-N 1 2 241.281 2.619 20 0 BFADLO Cc1nc(N[C@@H]2C[C@H]2c2ccsc2)cc[nH+]1 ZINC000528203896 387869031 /nfs/dbraw/zinc/86/90/31/387869031.db2.gz GHRJBWUBLZIRRH-WDEREUQCSA-N 1 2 231.324 2.815 20 0 BFADLO COc1ccc[nH+]c1N1C[C@H](C)[C@H](C)[C@H]1C ZINC000528036373 387818314 /nfs/dbraw/zinc/81/83/14/387818314.db2.gz QSXFEESKKPXNOM-GARJFASQSA-N 1 2 220.316 2.571 20 0 BFADLO Clc1cccc2c(NCC3COC3)cc[nH+]c12 ZINC000528227584 387882178 /nfs/dbraw/zinc/88/21/78/387882178.db2.gz WVQCVDITHUKXSW-UHFFFAOYSA-N 1 2 248.713 2.947 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2ncccn2)c1 ZINC000444704702 387914233 /nfs/dbraw/zinc/91/42/33/387914233.db2.gz APJGWBLCWNDZIC-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2ncccn2)c1 ZINC000444704702 387914237 /nfs/dbraw/zinc/91/42/37/387914237.db2.gz APJGWBLCWNDZIC-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1[nH+]c2ccccn2c1CSc1ncco1 ZINC000446070940 387991680 /nfs/dbraw/zinc/99/16/80/387991680.db2.gz ICTSXBSUNSMWDO-UHFFFAOYSA-N 1 2 245.307 2.923 20 0 BFADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccncn1 ZINC000423215971 387997897 /nfs/dbraw/zinc/99/78/97/387997897.db2.gz NWCVVHFZSTXSJX-JTQLQIEISA-N 1 2 240.310 2.618 20 0 BFADLO CC[C@H](N[C@H]1C[C@H](C)n2cc[nH+]c21)C(F)F ZINC000453249426 388025283 /nfs/dbraw/zinc/02/52/83/388025283.db2.gz QRYNMTMZKOOYOB-CIUDSAMLSA-N 1 2 229.274 2.522 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(F)F ZINC000453242950 388021857 /nfs/dbraw/zinc/02/18/57/388021857.db2.gz INRTXBLGKMZKQA-LDYMZIIASA-N 1 2 243.301 2.788 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(CO)c1 ZINC000453292549 388036360 /nfs/dbraw/zinc/03/63/60/388036360.db2.gz OEZXJYLXHBZDSP-ZJUUUORDSA-N 1 2 243.297 2.873 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H](C)C(C)(C)C)no1 ZINC000533250006 388039061 /nfs/dbraw/zinc/03/90/61/388039061.db2.gz OBHUBIVLIWOQRP-JTQLQIEISA-N 1 2 239.363 2.889 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)no1 ZINC000533250006 388039065 /nfs/dbraw/zinc/03/90/65/388039065.db2.gz OBHUBIVLIWOQRP-JTQLQIEISA-N 1 2 239.363 2.889 20 0 BFADLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccco1 ZINC000447064101 388051844 /nfs/dbraw/zinc/05/18/44/388051844.db2.gz TYDVPRHZODTQGE-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccco1 ZINC000447064101 388051848 /nfs/dbraw/zinc/05/18/48/388051848.db2.gz TYDVPRHZODTQGE-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO Cc1ccc(C[N@H+]2CCOC[C@H]2C)c(Cl)c1 ZINC000447129994 388054599 /nfs/dbraw/zinc/05/45/99/388054599.db2.gz XCGYSCLQROFANG-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1ccc(C[N@@H+]2CCOC[C@H]2C)c(Cl)c1 ZINC000447129994 388054602 /nfs/dbraw/zinc/05/46/02/388054602.db2.gz XCGYSCLQROFANG-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1coc2ccccc12 ZINC000083601909 388056370 /nfs/dbraw/zinc/05/63/70/388056370.db2.gz CCSGOIXUDJLJBM-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2ccon2)CC1 ZINC000645979816 388114375 /nfs/dbraw/zinc/11/43/75/388114375.db2.gz INDIDCDICKWLQQ-UHFFFAOYSA-N 1 2 228.295 2.762 20 0 BFADLO CO[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)[C@H](C)C1 ZINC000440670082 388064765 /nfs/dbraw/zinc/06/47/65/388064765.db2.gz MVCQUDVRLGXRCE-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO CC(C)c1ncc(CN(C)c2cccc[nH+]2)cn1 ZINC000440676092 388065431 /nfs/dbraw/zinc/06/54/31/388065431.db2.gz MHFOGIAOHLUCGD-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO CCC[C@](C)([NH2+]Cc1ccc(C)cc1)C(=O)OC ZINC000118005228 388094626 /nfs/dbraw/zinc/09/46/26/388094626.db2.gz LPUHHUOYXJKAIS-HNNXBMFYSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1cc[nH+]cc1NCC1(C)CCOCC1 ZINC000162139557 388115734 /nfs/dbraw/zinc/11/57/34/388115734.db2.gz FTNVDIMZCDHLOI-UHFFFAOYSA-N 1 2 220.316 2.619 20 0 BFADLO Cc1ccccc1C1([NH2+]CC(F)F)CC1 ZINC000645979833 388113819 /nfs/dbraw/zinc/11/38/19/388113819.db2.gz JTSHECXKMGUZNS-UHFFFAOYSA-N 1 2 211.255 2.839 20 0 BFADLO CC[C@H](F)C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000440510885 388048692 /nfs/dbraw/zinc/04/86/92/388048692.db2.gz RBLPERNHOUPPOV-JTQLQIEISA-N 1 2 241.354 2.887 20 0 BFADLO CC[C@H](F)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000440510885 388048696 /nfs/dbraw/zinc/04/86/96/388048696.db2.gz RBLPERNHOUPPOV-JTQLQIEISA-N 1 2 241.354 2.887 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccon1 ZINC000449236371 388159970 /nfs/dbraw/zinc/15/99/70/388159970.db2.gz JUHZORXITUUXDD-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@H](C)c1ccon1 ZINC000449236370 388160509 /nfs/dbraw/zinc/16/05/09/388160509.db2.gz JUHZORXITUUXDD-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccncc1F ZINC000449239900 388160941 /nfs/dbraw/zinc/16/09/41/388160941.db2.gz LRQTZKMWMGYFSN-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccncc1F ZINC000449239900 388160942 /nfs/dbraw/zinc/16/09/42/388160942.db2.gz LRQTZKMWMGYFSN-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO CC[C@H](NC(=O)C1=CC[C@H](C)CC1)c1[nH]cc[nH+]1 ZINC000456063861 388174877 /nfs/dbraw/zinc/17/48/77/388174877.db2.gz JZDMMFBRSZCWBK-JQWIXIFHSA-N 1 2 247.342 2.723 20 0 BFADLO CC(C)[N@H+](Cc1ccc(Cl)o1)C1COC1 ZINC000449348999 388178597 /nfs/dbraw/zinc/17/85/97/388178597.db2.gz DWYMDLGECCQOHZ-UHFFFAOYSA-N 1 2 229.707 2.542 20 0 BFADLO CC(C)[N@@H+](Cc1ccc(Cl)o1)C1COC1 ZINC000449348999 388178599 /nfs/dbraw/zinc/17/85/99/388178599.db2.gz DWYMDLGECCQOHZ-UHFFFAOYSA-N 1 2 229.707 2.542 20 0 BFADLO CCc1ncc(C[NH2+][C@H](CC)C(F)F)s1 ZINC000449363277 388181983 /nfs/dbraw/zinc/18/19/83/388181983.db2.gz PCKGEHJUGDGAEN-MRVPVSSYSA-N 1 2 234.315 2.839 20 0 BFADLO CC[C@@H]([NH2+]Cc1scnc1C)C(F)F ZINC000449362590 388182066 /nfs/dbraw/zinc/18/20/66/388182066.db2.gz NJYAMCVNUQZTJS-SSDOTTSWSA-N 1 2 220.288 2.585 20 0 BFADLO CC[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)C(F)F ZINC000449364775 388183654 /nfs/dbraw/zinc/18/36/54/388183654.db2.gz TXHNEBACOHILEI-LLVKDONJSA-N 1 2 245.317 2.672 20 0 BFADLO Fc1cccc(C2([NH2+]Cc3ccon3)CCC2)c1 ZINC000646001834 388123282 /nfs/dbraw/zinc/12/32/82/388123282.db2.gz QUXUTUQWYMOFLY-UHFFFAOYSA-N 1 2 246.285 2.983 20 0 BFADLO CCc1nc(C[N@H+](C)CCC(C)(C)C)no1 ZINC000646027759 388126590 /nfs/dbraw/zinc/12/65/90/388126590.db2.gz AGDPTLOEPQKQGB-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCc1nc(C[N@@H+](C)CCC(C)(C)C)no1 ZINC000646027759 388126592 /nfs/dbraw/zinc/12/65/92/388126592.db2.gz AGDPTLOEPQKQGB-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C)c1F ZINC000449014759 388130116 /nfs/dbraw/zinc/13/01/16/388130116.db2.gz IWZSIJNYBKMBIS-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(C)c1F ZINC000449014759 388130117 /nfs/dbraw/zinc/13/01/17/388130117.db2.gz IWZSIJNYBKMBIS-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1F ZINC000449017305 388130954 /nfs/dbraw/zinc/13/09/54/388130954.db2.gz YHCBPZYJFAMTMX-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1F ZINC000449017305 388130956 /nfs/dbraw/zinc/13/09/56/388130956.db2.gz YHCBPZYJFAMTMX-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)C(=O)OC(C)C)c1C ZINC000449659350 388249788 /nfs/dbraw/zinc/24/97/88/388249788.db2.gz CSEAQIUPFGSKSB-ZDUSSCGKSA-N 1 2 249.354 2.733 20 0 BFADLO Cc1ccoc1CNc1cc[nH+]c(C(C)C)n1 ZINC000488688188 388191703 /nfs/dbraw/zinc/19/17/03/388191703.db2.gz SFFBBHKZPQTXSY-UHFFFAOYSA-N 1 2 231.299 2.535 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000449391032 388191979 /nfs/dbraw/zinc/19/19/79/388191979.db2.gz HLKGSTDGTWYZLF-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000449391032 388191981 /nfs/dbraw/zinc/19/19/81/388191981.db2.gz HLKGSTDGTWYZLF-MRVPVSSYSA-N 1 2 219.712 2.945 20 0 BFADLO COc1ccc(C[N@@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000449389244 388192005 /nfs/dbraw/zinc/19/20/05/388192005.db2.gz RUJJFDKQWQWUCK-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(C[N@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000449389244 388192008 /nfs/dbraw/zinc/19/20/08/388192008.db2.gz RUJJFDKQWQWUCK-JTQLQIEISA-N 1 2 243.709 2.892 20 0 BFADLO CCCC1(C(=O)N[C@@H](C)c2[nH+]ccn2CC)CC1 ZINC000456336516 388195479 /nfs/dbraw/zinc/19/54/79/388195479.db2.gz AMIXNFHYFIPVGZ-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC[C@@H](C)CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456353895 388196410 /nfs/dbraw/zinc/19/64/10/388196410.db2.gz MWHWUOQJIOCYTR-MNOVXSKESA-N 1 2 237.347 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC000456370699 388197932 /nfs/dbraw/zinc/19/79/32/388197932.db2.gz YDKRQXDBLLMHFJ-SNVBAGLBSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)Cn1cc(C[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000449415861 388198942 /nfs/dbraw/zinc/19/89/42/388198942.db2.gz QVICJXDWWLVZPX-JTQLQIEISA-N 1 2 245.317 2.672 20 0 BFADLO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)C)c2[nH+]ccn21 ZINC000456405799 388199374 /nfs/dbraw/zinc/19/93/74/388199374.db2.gz XRWFUPYRWLLCOQ-WDEREUQCSA-N 1 2 249.358 2.831 20 0 BFADLO CCC[C@H](C)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456401542 388199432 /nfs/dbraw/zinc/19/94/32/388199432.db2.gz VSJYDBFPOVKWNK-TUAOUCFPSA-N 1 2 249.358 2.831 20 0 BFADLO CCC[C@H](C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456402105 388199447 /nfs/dbraw/zinc/19/94/47/388199447.db2.gz VWOXNYXWNPNJSJ-WDEREUQCSA-N 1 2 237.347 2.516 20 0 BFADLO CCC(CC)CC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456424242 388200273 /nfs/dbraw/zinc/20/02/73/388200273.db2.gz PILMCHGYDJXQDC-JQWIXIFHSA-N 1 2 249.358 2.831 20 0 BFADLO CC[N@H+](Cc1ccc(F)cc1Cl)C1COC1 ZINC000449428595 388203140 /nfs/dbraw/zinc/20/31/40/388203140.db2.gz VNCGXHAHOIUESL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@@H+](Cc1ccc(F)cc1Cl)C1COC1 ZINC000449428595 388203143 /nfs/dbraw/zinc/20/31/43/388203143.db2.gz VNCGXHAHOIUESL-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CCCCc1noc(C[N@H+](C)[C@H]2CC2(C)C)n1 ZINC000489455407 388216137 /nfs/dbraw/zinc/21/61/37/388216137.db2.gz MUPZRQJPWYSEKG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1noc(C[N@@H+](C)[C@H]2CC2(C)C)n1 ZINC000489455407 388216139 /nfs/dbraw/zinc/21/61/39/388216139.db2.gz MUPZRQJPWYSEKG-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@@H](C)C(C)C)c[nH+]1 ZINC000456836277 388226493 /nfs/dbraw/zinc/22/64/93/388226493.db2.gz JNJPOQZPRPPSSS-LBPRGKRZSA-N 1 2 234.343 2.607 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456849902 388227103 /nfs/dbraw/zinc/22/71/03/388227103.db2.gz VQHITKQHCIJNNY-DZGCQCFKSA-N 1 2 246.354 2.751 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456849910 388227301 /nfs/dbraw/zinc/22/73/01/388227301.db2.gz VQHITKQHCIJNNY-ZFWWWQNUSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CCC(C)(C)C ZINC000646328825 388234876 /nfs/dbraw/zinc/23/48/76/388234876.db2.gz WESJAMFQBZTWTH-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO Cc1cnccc1CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000645912434 388244118 /nfs/dbraw/zinc/24/41/18/388244118.db2.gz LQTGYYZEXIPVHN-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cnccc1CC[N@H+]1CCC[C@@H]1C(F)F ZINC000645912434 388244120 /nfs/dbraw/zinc/24/41/20/388244120.db2.gz LQTGYYZEXIPVHN-GFCCVEGCSA-N 1 2 240.297 2.662 20 0 BFADLO FCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451799093 388297277 /nfs/dbraw/zinc/29/72/77/388297277.db2.gz NAYLXWYFLCDDNY-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO FCCC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000451799093 388297280 /nfs/dbraw/zinc/29/72/80/388297280.db2.gz NAYLXWYFLCDDNY-ZDUSSCGKSA-N 1 2 241.281 2.559 20 0 BFADLO Cc1cc(NC(=O)C=Cc2ccsc2)cc[nH+]1 ZINC000491827159 388324055 /nfs/dbraw/zinc/32/40/55/388324055.db2.gz DDSBVVBHBIVWTI-NSCUHMNNSA-N 1 2 244.319 2.525 20 0 BFADLO C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000235462110 388369515 /nfs/dbraw/zinc/36/95/15/388369515.db2.gz YNFUVQOJGSBUST-HTQZYQBOSA-N 1 2 247.169 2.991 20 0 BFADLO c1cc(NCC(C2CC2)C2CC2)nc(C2CC2)[nH+]1 ZINC000524690980 388374903 /nfs/dbraw/zinc/37/49/03/388374903.db2.gz WGNALVYPGGFTSS-UHFFFAOYSA-N 1 2 243.354 2.624 20 0 BFADLO CC(F)(F)CCCNc1cccc[nH+]1 ZINC000294915138 388405737 /nfs/dbraw/zinc/40/57/37/388405737.db2.gz JILUKXMPFZIUQN-UHFFFAOYSA-N 1 2 200.232 2.929 20 0 BFADLO CCC[C@](C)([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000236853346 388384371 /nfs/dbraw/zinc/38/43/71/388384371.db2.gz JFQJLHRDPIDGOZ-HNNXBMFYSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1ccoc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293575180 388391076 /nfs/dbraw/zinc/39/10/76/388391076.db2.gz AGQANBAQOFRMMQ-MNOVXSKESA-N 1 2 231.299 2.580 20 0 BFADLO Cc1c[nH+]c2cc(-c3nc(C(C)C)no3)ccn12 ZINC000572975513 388401645 /nfs/dbraw/zinc/40/16/45/388401645.db2.gz XIGIYFOWPBMCKR-UHFFFAOYSA-N 1 2 242.282 2.816 20 0 BFADLO Cc1ccc(NC(=O)/C=C\C2CCC2)c(C)[nH+]1 ZINC000492112449 388335501 /nfs/dbraw/zinc/33/55/01/388335501.db2.gz UIFIBKARWSNQPC-CLFYSBASSA-N 1 2 230.311 2.993 20 0 BFADLO CCc1cc(N)nc(SC[C@@H](C)CC)[nH+]1 ZINC000330363464 388443440 /nfs/dbraw/zinc/44/34/40/388443440.db2.gz GBAAGPDVDVUBOV-QMMMGPOBSA-N 1 2 225.361 2.590 20 0 BFADLO CCc1cc(N)nc(SC[C@H](C)CC)[nH+]1 ZINC000330363463 388443494 /nfs/dbraw/zinc/44/34/94/388443494.db2.gz GBAAGPDVDVUBOV-MRVPVSSYSA-N 1 2 225.361 2.590 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](CC1(F)CC1)CCO2 ZINC000526001834 388453429 /nfs/dbraw/zinc/45/34/29/388453429.db2.gz PMJVBJKLZCYJDF-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](CC1(F)CC1)CCO2 ZINC000526001834 388453430 /nfs/dbraw/zinc/45/34/30/388453430.db2.gz PMJVBJKLZCYJDF-UHFFFAOYSA-N 1 2 239.265 2.522 20 0 BFADLO CC[NH+](CC)Cc1ncc(Br)s1 ZINC000336634650 388458521 /nfs/dbraw/zinc/45/85/21/388458521.db2.gz LCBHGNUYYSNQTE-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 in-vitro BFADLO CC[C@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000242611556 388471595 /nfs/dbraw/zinc/47/15/95/388471595.db2.gz CMJRFHKTCWBSTK-LBPRGKRZSA-N 1 2 246.358 2.820 20 0 BFADLO CC[C@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000242611556 388471597 /nfs/dbraw/zinc/47/15/97/388471597.db2.gz CMJRFHKTCWBSTK-LBPRGKRZSA-N 1 2 246.358 2.820 20 0 BFADLO COCC[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000134309567 388475814 /nfs/dbraw/zinc/47/58/14/388475814.db2.gz AGJKCPYPMZDVIN-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CCn1ccnc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000195513858 388476143 /nfs/dbraw/zinc/47/61/43/388476143.db2.gz KJNUPIJZQLALPO-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1ccnc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000195513858 388476145 /nfs/dbraw/zinc/47/61/45/388476145.db2.gz KJNUPIJZQLALPO-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1cc[nH+]c1CN(C)Cc1ccc(F)cc1 ZINC000195513858 388476147 /nfs/dbraw/zinc/47/61/47/388476147.db2.gz KJNUPIJZQLALPO-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCc1cnc(C[NH+]2C[C@H](C)S[C@@H](C)C2)o1 ZINC000524754924 388407557 /nfs/dbraw/zinc/40/75/57/388407557.db2.gz AKCPALPFJGVJGD-UWVGGRQHSA-N 1 2 240.372 2.563 20 0 BFADLO Cc1cnc(CNc2ccc[nH+]c2C)s1 ZINC000295748770 388413382 /nfs/dbraw/zinc/41/33/82/388413382.db2.gz PLONCQIBYUVLJI-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC(C)([NH2+]Cc1ccns1)c1nccs1 ZINC000404469842 388421205 /nfs/dbraw/zinc/42/12/05/388421205.db2.gz LCYVDWNYGCGBQW-UHFFFAOYSA-N 1 2 239.369 2.625 20 0 BFADLO Fc1cc(F)cc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000517240247 388545018 /nfs/dbraw/zinc/54/50/18/388545018.db2.gz BRQMGKOCAVQWTG-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO Fc1cc(F)cc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000517240247 388545020 /nfs/dbraw/zinc/54/50/20/388545020.db2.gz BRQMGKOCAVQWTG-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO COc1c(C)[nH+]c(C2CC2)nc1NCCC(C)C ZINC000517265367 388546057 /nfs/dbraw/zinc/54/60/57/388546057.db2.gz ANTRXIQMGUVEIJ-UHFFFAOYSA-N 1 2 249.358 2.551 20 0 BFADLO CC[C@@H]([NH2+]CC(F)(F)F)[C@@H]1CC1(C)C ZINC000397627979 388484441 /nfs/dbraw/zinc/48/44/41/388484441.db2.gz NEDVFWFJSJBWAX-JGVFFNPUSA-N 1 2 209.255 2.963 20 0 BFADLO O[C@@H]1CCCN(c2[nH+]ccc3ccccc32)CC1 ZINC000378750248 388494987 /nfs/dbraw/zinc/49/49/87/388494987.db2.gz UJOZUXXUSBKMGQ-CYBMUJFWSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)o1 ZINC000398049281 388516004 /nfs/dbraw/zinc/51/60/04/388516004.db2.gz DUSPJSKTPBDTGZ-SECBINFHSA-N 1 2 220.272 2.735 20 0 BFADLO CCC[C@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528426847 388523682 /nfs/dbraw/zinc/52/36/82/388523682.db2.gz UKHPLKDLBHEMFW-UAWPZABVSA-N 1 2 217.740 2.630 20 0 BFADLO CCC[C@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528426847 388523685 /nfs/dbraw/zinc/52/36/85/388523685.db2.gz UKHPLKDLBHEMFW-UAWPZABVSA-N 1 2 217.740 2.630 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)c1ccco1 ZINC000528464750 388530479 /nfs/dbraw/zinc/53/04/79/388530479.db2.gz FNLUSWLTLPXESO-SNVBAGLBSA-N 1 2 244.294 2.537 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cccc2cccnc21 ZINC000516983389 388530575 /nfs/dbraw/zinc/53/05/75/388530575.db2.gz ALBLYYZIAZPAPK-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO Cc1cccc(CSc2nc(N)cc(C)[nH+]2)c1 ZINC000007049250 388531835 /nfs/dbraw/zinc/53/18/35/388531835.db2.gz OGRPXTPALIIGIS-UHFFFAOYSA-N 1 2 245.351 2.968 20 0 BFADLO CO[C@]1(C)C[C@H](Nc2nc(C)[nH+]cc2C)C1(C)C ZINC000517040992 388535545 /nfs/dbraw/zinc/53/55/45/388535545.db2.gz AOYFPNRZSQCNOZ-SMDDNHRTSA-N 1 2 249.358 2.709 20 0 BFADLO COc1ccc[nH+]c1NCCC(C)(F)F ZINC000379196103 388597092 /nfs/dbraw/zinc/59/70/92/388597092.db2.gz WNKGRZQXZAGRBA-UHFFFAOYSA-N 1 2 216.231 2.547 20 0 BFADLO CCCOCn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000530110713 388606979 /nfs/dbraw/zinc/60/69/79/388606979.db2.gz PCOAYBNDGUZJMP-WDEREUQCSA-N 1 2 222.332 2.638 20 0 BFADLO CCCOCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000530110711 388609241 /nfs/dbraw/zinc/60/92/41/388609241.db2.gz PCOAYBNDGUZJMP-MNOVXSKESA-N 1 2 222.332 2.638 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccns2)[C@@H](CC)CO1 ZINC000630073267 388615359 /nfs/dbraw/zinc/61/53/59/388615359.db2.gz SFGPQILYJPGWQN-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccns2)[C@@H](CC)CO1 ZINC000630073267 388615361 /nfs/dbraw/zinc/61/53/61/388615361.db2.gz SFGPQILYJPGWQN-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO c1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)no1 ZINC000528649310 388555786 /nfs/dbraw/zinc/55/57/86/388555786.db2.gz MBKBLUCXFPRJJD-CQSZACIVSA-N 1 2 243.310 2.701 20 0 BFADLO CCN(CC)c1ccc(NC(C)C)c[nH+]1 ZINC000037003691 388567222 /nfs/dbraw/zinc/56/72/22/388567222.db2.gz ZERDIYOOCZVHSV-UHFFFAOYSA-N 1 2 207.321 2.748 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2[C@H](C)[C@H]2C2CC2)c(C)[nH+]1 ZINC000528811214 388576028 /nfs/dbraw/zinc/57/60/28/388576028.db2.gz JHYUGCXUNWSINT-BIGNPOOSSA-N 1 2 244.338 2.929 20 0 BFADLO CCc1nocc1C[NH2+][C@@H](C)c1ncccc1F ZINC000528827522 388576430 /nfs/dbraw/zinc/57/64/30/388576430.db2.gz VYNRUPKYSLFLMJ-VIFPVBQESA-N 1 2 249.289 2.622 20 0 BFADLO C[C@H](C1CC1)n1cc(N[C@@H](C)c2[nH]cc[nH+]2)cn1 ZINC000552065541 388666379 /nfs/dbraw/zinc/66/63/79/388666379.db2.gz DWYARPNRQUEDBQ-VHSXEESVSA-N 1 2 245.330 2.750 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)no1 ZINC000247702828 388669527 /nfs/dbraw/zinc/66/95/27/388669527.db2.gz YHHIAOSFKAPEEP-VXGBXAGGSA-N 1 2 249.358 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)no1 ZINC000247702828 388669530 /nfs/dbraw/zinc/66/95/30/388669530.db2.gz YHHIAOSFKAPEEP-VXGBXAGGSA-N 1 2 249.358 2.787 20 0 BFADLO C[C@H](CC(=O)Nc1ccccc1F)n1cc[nH+]c1 ZINC000551909320 388645885 /nfs/dbraw/zinc/64/58/85/388645885.db2.gz FVVFVASRMDETRJ-SNVBAGLBSA-N 1 2 247.273 2.612 20 0 BFADLO Cc1cc(N2[C@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000530431602 388654563 /nfs/dbraw/zinc/65/45/63/388654563.db2.gz INTGNHFYKUJZIK-PHIMTYICSA-N 1 2 219.332 2.896 20 0 BFADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cn1 ZINC000552043912 388664194 /nfs/dbraw/zinc/66/41/94/388664194.db2.gz GPVPOTQRUVKJGT-WDEREUQCSA-N 1 2 247.346 2.599 20 0 BFADLO CC[C@@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000127236090 388719224 /nfs/dbraw/zinc/71/92/24/388719224.db2.gz KQVVRNWPVNRYID-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000127236090 388719226 /nfs/dbraw/zinc/71/92/26/388719226.db2.gz KQVVRNWPVNRYID-NSHDSACASA-N 1 2 225.361 2.550 20 0 BFADLO Fc1ccc2cc[nH+]c(NCc3cc[nH]n3)c2c1 ZINC000540287187 388802310 /nfs/dbraw/zinc/80/23/10/388802310.db2.gz SNAJWRBYBZRINK-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2ccccc2C)n1 ZINC000554319898 388808263 /nfs/dbraw/zinc/80/82/63/388808263.db2.gz GAZNUCDXSFJFGH-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2C)n1 ZINC000554319898 388808265 /nfs/dbraw/zinc/80/82/65/388808265.db2.gz GAZNUCDXSFJFGH-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2nccs2)s1 ZINC000091729488 388768394 /nfs/dbraw/zinc/76/83/94/388768394.db2.gz OJBKTXISTBBUSW-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc(F)ccc2C)no1 ZINC000129046185 388812745 /nfs/dbraw/zinc/81/27/45/388812745.db2.gz MKRUXBIGVDCOKA-UHFFFAOYSA-N 1 2 234.274 2.720 20 0 BFADLO CCCC(CCC)[S@](=O)Cc1[nH+]ccn1C ZINC000129291593 388829501 /nfs/dbraw/zinc/82/95/01/388829501.db2.gz ZMJMVDAREGWHNC-INIZCTEOSA-N 1 2 242.388 2.638 20 0 BFADLO Cc1oncc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000129531589 388852267 /nfs/dbraw/zinc/85/22/67/388852267.db2.gz WATOUIGDFGSSJB-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1oncc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000129531589 388852268 /nfs/dbraw/zinc/85/22/68/388852268.db2.gz WATOUIGDFGSSJB-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO CCCCCCNc1nc[nH+]c(N)c1Cl ZINC000232951457 388861323 /nfs/dbraw/zinc/86/13/23/388861323.db2.gz KKQOVQMKEOHLQV-UHFFFAOYSA-N 1 2 228.727 2.704 20 0 BFADLO CCCCCCNc1[nH+]cnc(N)c1Cl ZINC000232951457 388861326 /nfs/dbraw/zinc/86/13/26/388861326.db2.gz KKQOVQMKEOHLQV-UHFFFAOYSA-N 1 2 228.727 2.704 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)o1 ZINC000541690925 388865332 /nfs/dbraw/zinc/86/53/32/388865332.db2.gz SPPNZXDYUWZYSE-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO CCSCCNc1ccc(SC)c[nH+]1 ZINC000273687160 389043127 /nfs/dbraw/zinc/04/31/27/389043127.db2.gz HUURYGZBZXQFLO-UHFFFAOYSA-N 1 2 228.386 2.969 20 0 BFADLO CCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000264624874 132179018 /nfs/dbraw/zinc/17/90/18/132179018.db2.gz ARWPNKUURNUHCB-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO CC(C)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000272202865 132200170 /nfs/dbraw/zinc/20/01/70/132200170.db2.gz BREZXNVMVMLCOS-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1cc(N2CCC=C(F)C2)nc(C2CC2)[nH+]1 ZINC000274257706 132202486 /nfs/dbraw/zinc/20/24/86/132202486.db2.gz AAHISNCCAQWXHE-UHFFFAOYSA-N 1 2 233.290 2.726 20 0 BFADLO CC1=CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000280837119 132211372 /nfs/dbraw/zinc/21/13/72/132211372.db2.gz XBVDCQOXCUFELD-UHFFFAOYSA-N 1 2 225.295 2.786 20 0 BFADLO Clc1cccc2c(N3CCOCC3)cc[nH+]c12 ZINC000286941471 132215803 /nfs/dbraw/zinc/21/58/03/132215803.db2.gz MAWYRWXTPKLWOD-UHFFFAOYSA-N 1 2 248.713 2.725 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@H](O)C1 ZINC000063106448 132241684 /nfs/dbraw/zinc/24/16/84/132241684.db2.gz FSSBVUYWQKWYRE-ZDUSSCGKSA-N 1 2 242.322 2.504 20 0 BFADLO Cc1cc(N2CCC[C@H]3CCC[C@H]32)nc[nH+]1 ZINC000301457496 132253986 /nfs/dbraw/zinc/25/39/86/132253986.db2.gz NDYDUNGRKQUORE-VXGBXAGGSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CCC[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000301457493 132254064 /nfs/dbraw/zinc/25/40/64/132254064.db2.gz NDYDUNGRKQUORE-NEPJUHHUSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CCS[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301553289 132255060 /nfs/dbraw/zinc/25/50/60/132255060.db2.gz HRALCPYXLXEMSD-NEPJUHHUSA-N 1 2 249.383 2.649 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301921353 132258713 /nfs/dbraw/zinc/25/87/13/132258713.db2.gz KZAFWGUOEXLSEF-ZJUUUORDSA-N 1 2 233.359 2.884 20 0 BFADLO CCC[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000302130641 132260778 /nfs/dbraw/zinc/26/07/78/132260778.db2.gz KBRDUACLFHVKQX-LBPRGKRZSA-N 1 2 219.332 2.944 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000302697406 132265917 /nfs/dbraw/zinc/26/59/17/132265917.db2.gz TXQXVUMJPRDLNQ-MXWKQRLJSA-N 1 2 219.332 2.656 20 0 BFADLO C[C@H]1CCN(c2cccc[nH+]2)CC1(C)C ZINC000353273637 132268813 /nfs/dbraw/zinc/26/88/13/132268813.db2.gz DPZURBAYUXVHKW-NSHDSACASA-N 1 2 204.317 2.954 20 0 BFADLO Cc1cc(N2C[C@H](C)OC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356742236 132271901 /nfs/dbraw/zinc/27/19/01/132271901.db2.gz KMLWSRWZTKMRGA-NEPJUHHUSA-N 1 2 249.358 2.522 20 0 BFADLO Cc1cc(N2C[C@@H](C)OC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000356742239 132271958 /nfs/dbraw/zinc/27/19/58/132271958.db2.gz KMLWSRWZTKMRGA-VXGBXAGGSA-N 1 2 249.358 2.522 20 0 BFADLO CC(C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988677 132343354 /nfs/dbraw/zinc/34/33/54/132343354.db2.gz VOHVOFBYHPUFLB-UHFFFAOYSA-N 1 2 219.332 2.892 20 0 BFADLO C[C@H]1CCc2ccccc2N1Cc1[nH+]ccn1C ZINC000057593500 132366107 /nfs/dbraw/zinc/36/61/07/132366107.db2.gz OBCYVNLSGZUZLE-LBPRGKRZSA-N 1 2 241.338 2.761 20 0 BFADLO CCCC1(C(=O)Nc2cc[nH+]cc2CC)CCC1 ZINC000345598190 133783792 /nfs/dbraw/zinc/78/37/92/133783792.db2.gz KZRARYFKKCKPTE-UHFFFAOYSA-N 1 2 246.354 2.975 20 0 BFADLO C[C@H]1CC2(CCC2)CN1c1cccc[nH+]1 ZINC000335520809 133874017 /nfs/dbraw/zinc/87/40/17/133874017.db2.gz MRUDKGGBUDRYAO-NSHDSACASA-N 1 2 202.301 2.851 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1cc(C)[nH+]cn1 ZINC000335946304 134020426 /nfs/dbraw/zinc/02/04/26/134020426.db2.gz UZRYKMGZNQXQRV-GHMZBOCLSA-N 1 2 205.305 2.552 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCC3)CCO1 ZINC000335985948 134038876 /nfs/dbraw/zinc/03/88/76/134038876.db2.gz GHIUTGOUYYODNK-YPMHNXCESA-N 1 2 246.354 2.940 20 0 BFADLO Cc1cnn(C)c1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336000201 134046605 /nfs/dbraw/zinc/04/66/05/134046605.db2.gz OZVFGWRGSZCQRI-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cnn(C)c1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336000201 134046606 /nfs/dbraw/zinc/04/66/06/134046606.db2.gz OZVFGWRGSZCQRI-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO C[C@@H]1CCCC[C@H]1c1noc(Cn2cc[nH+]c2)n1 ZINC000336031703 134058619 /nfs/dbraw/zinc/05/86/19/134058619.db2.gz IYGWCPOOSRMEEG-GHMZBOCLSA-N 1 2 246.314 2.608 20 0 BFADLO C[C@H]1CCN(c2cccc[nH+]2)CC1(F)F ZINC000336098269 134080902 /nfs/dbraw/zinc/08/09/02/134080902.db2.gz FMHANXILNJAUTD-VIFPVBQESA-N 1 2 212.243 2.563 20 0 BFADLO Cc1cc(N2CCc3cccc(C)c3C2)nc[nH+]1 ZINC000336116869 134088582 /nfs/dbraw/zinc/08/85/82/134088582.db2.gz XIAFONKAVNHTAF-UHFFFAOYSA-N 1 2 239.322 2.656 20 0 BFADLO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119609 134089738 /nfs/dbraw/zinc/08/97/38/134089738.db2.gz AXUJWYKTAYOSSV-QMTHXVAHSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119609 134089739 /nfs/dbraw/zinc/08/97/39/134089739.db2.gz AXUJWYKTAYOSSV-QMTHXVAHSA-N 1 2 247.313 2.724 20 0 BFADLO CCc1nc(C[NH+]2CCC(C)(C3CC3)CC2)no1 ZINC000352189619 134097514 /nfs/dbraw/zinc/09/75/14/134097514.db2.gz MZAIVPGDKWICAI-UHFFFAOYSA-N 1 2 249.358 2.644 20 0 BFADLO C/C=C(/C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000336182572 134120190 /nfs/dbraw/zinc/12/01/90/134120190.db2.gz YVYGYALGRPXTKG-WTKPLQERSA-N 1 2 229.283 2.787 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336189884 134123009 /nfs/dbraw/zinc/12/30/09/134123009.db2.gz SNWQEFJQKDDNIJ-VIFPVBQESA-N 1 2 237.372 2.647 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336189884 134123010 /nfs/dbraw/zinc/12/30/10/134123010.db2.gz SNWQEFJQKDDNIJ-VIFPVBQESA-N 1 2 237.372 2.647 20 0 BFADLO Cc1cc(N2CC[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000336198853 134127930 /nfs/dbraw/zinc/12/79/30/134127930.db2.gz UUUBQHOONJPSHJ-LBPRGKRZSA-N 1 2 229.327 2.651 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(C)cc1 ZINC000085183013 134224994 /nfs/dbraw/zinc/22/49/94/134224994.db2.gz ZJSMGCHVOZBUPX-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO Fc1cccnc1NCCCNc1cccc[nH+]1 ZINC000180408000 134327243 /nfs/dbraw/zinc/32/72/43/134327243.db2.gz LJEASFFQKIAHER-UHFFFAOYSA-N 1 2 246.289 2.530 20 0 BFADLO Cc1cc[nH+]cc1NCc1cc(O)cc(F)c1 ZINC000184142660 134359222 /nfs/dbraw/zinc/35/92/22/134359222.db2.gz FMQICFCKLNGDMP-UHFFFAOYSA-N 1 2 232.258 2.847 20 0 BFADLO C[C@@H]1CC[C@@H]([NH2+]CC(F)(F)F)[C@@H](C)C1 ZINC000226178714 134360026 /nfs/dbraw/zinc/36/00/26/134360026.db2.gz SQQXVYLDLXGXOT-HRDYMLBCSA-N 1 2 209.255 2.963 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCCCC1(C)C ZINC000226627641 134368010 /nfs/dbraw/zinc/36/80/10/134368010.db2.gz BSXGWOKDXSEXMO-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO CCCn1cc(CNc2ccc[nH+]c2C)cn1 ZINC000227599595 134386867 /nfs/dbraw/zinc/38/68/67/134386867.db2.gz ZMPTWNLWXYZMMR-UHFFFAOYSA-N 1 2 230.315 2.609 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245453405 134853994 /nfs/dbraw/zinc/85/39/94/134853994.db2.gz FRWJLLDJXLRPJS-PJXYFTJBSA-N 1 2 230.311 2.765 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)o1 ZINC000070444068 134917831 /nfs/dbraw/zinc/91/78/31/134917831.db2.gz ANVIUHPLCYSKQL-MNOVXSKESA-N 1 2 233.315 2.733 20 0 BFADLO Cc1cc(NC(=O)CCC(C)C)cc[nH+]1 ZINC000073557344 134939869 /nfs/dbraw/zinc/93/98/69/134939869.db2.gz MWMMJSAUDFCZQF-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO CC[C@H]([NH2+]Cc1ccco1)c1nccs1 ZINC000070633871 135000321 /nfs/dbraw/zinc/00/03/21/135000321.db2.gz FFSKSZUROORGKP-JTQLQIEISA-N 1 2 222.313 2.977 20 0 BFADLO C[C@H]1CC[C@H](C)[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149572 135013408 /nfs/dbraw/zinc/01/34/08/135013408.db2.gz LQFVDTDVKVTUOO-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000076149572 135013409 /nfs/dbraw/zinc/01/34/09/135013409.db2.gz LQFVDTDVKVTUOO-UWVGGRQHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1cscc1CNc1cc(C)[nH+]cn1 ZINC000087311099 135123615 /nfs/dbraw/zinc/12/36/15/135123615.db2.gz IHIZSRFQSNLLFY-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CS[C@@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000078478120 135125754 /nfs/dbraw/zinc/12/57/54/135125754.db2.gz UWQTXAPNOOVQMP-VHSXEESVSA-N 1 2 208.330 2.778 20 0 BFADLO COc1cc(C)ccc1C[NH2+]Cc1nccs1 ZINC000342385266 135269124 /nfs/dbraw/zinc/26/91/24/135269124.db2.gz NXZWQGXLUXHOBF-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO Cc1c[nH+]c(CN2Cc3ccccc3[C@H]2C)n1C ZINC000342770114 135326429 /nfs/dbraw/zinc/32/64/29/135326429.db2.gz VRZNGNJOFKZIPJ-GFCCVEGCSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1nc(N2Cc3cccc(Cl)c3C2)cc[nH+]1 ZINC000334304252 135347805 /nfs/dbraw/zinc/34/78/05/135347805.db2.gz FYPZWZYHXUPGNK-UHFFFAOYSA-N 1 2 245.713 2.959 20 0 BFADLO Cc1cc(N2CCC[C@H](F)C2)nc(C(C)C)[nH+]1 ZINC000343071956 135356443 /nfs/dbraw/zinc/35/64/43/135356443.db2.gz RAQPHLKXJMIDGY-NSHDSACASA-N 1 2 237.322 2.847 20 0 BFADLO CSc1ccccc1C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000334342109 135364243 /nfs/dbraw/zinc/36/42/43/135364243.db2.gz KCQKZWCCWVGERD-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO CSc1ccccc1C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000334342109 135364244 /nfs/dbraw/zinc/36/42/44/135364244.db2.gz KCQKZWCCWVGERD-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO C[C@H](Nc1c[nH+]c2c(c1)CCCC2)[C@H]1CCOC1 ZINC000334349173 135368058 /nfs/dbraw/zinc/36/80/58/135368058.db2.gz ZWBYFLNGDLBTTM-AAEUAGOBSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@@H](Nc1c[nH+]c2c(c1)CCCC2)[C@@H]1CCOC1 ZINC000334349176 135368284 /nfs/dbraw/zinc/36/82/84/135368284.db2.gz ZWBYFLNGDLBTTM-DGCLKSJQSA-N 1 2 246.354 2.797 20 0 BFADLO OC1(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CCC1 ZINC000334357523 135370490 /nfs/dbraw/zinc/37/04/90/135370490.db2.gz QGRGUIJPULADFZ-GFCCVEGCSA-N 1 2 249.329 2.530 20 0 BFADLO OC1(C[N@H+]2CC[C@@H](c3ccccc3F)C2)CCC1 ZINC000334357523 135370491 /nfs/dbraw/zinc/37/04/91/135370491.db2.gz QGRGUIJPULADFZ-GFCCVEGCSA-N 1 2 249.329 2.530 20 0 BFADLO Cc1nc(NCCc2cc(F)ccc2F)cc[nH+]1 ZINC000080693331 135383823 /nfs/dbraw/zinc/38/38/23/135383823.db2.gz IBRSGUWDLPEMEP-UHFFFAOYSA-N 1 2 249.264 2.718 20 0 BFADLO Cc1ccc(NC(=O)C[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000334406788 135394369 /nfs/dbraw/zinc/39/43/69/135394369.db2.gz HZISZVPTWSKILF-GZMMTYOYSA-N 1 2 218.300 2.683 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000345077308 135880291 /nfs/dbraw/zinc/88/02/91/135880291.db2.gz OQGUGTPIDKIJRR-MNOVXSKESA-N 1 2 247.342 2.522 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cocn2)ccc1F ZINC000346858287 135973537 /nfs/dbraw/zinc/97/35/37/135973537.db2.gz OFBARLZONMUSQU-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO Cc1ccoc1C[NH2+]Cc1nccn1CC(C)C ZINC000347819933 136013625 /nfs/dbraw/zinc/01/36/25/136013625.db2.gz RPOKUACBFACLMD-UHFFFAOYSA-N 1 2 247.342 2.730 20 0 BFADLO C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000347946069 136019277 /nfs/dbraw/zinc/01/92/77/136019277.db2.gz YUPIHTOIHDHHSJ-GRYCIOLGSA-N 1 2 247.342 2.509 20 0 BFADLO CCn1cncc1C[N@@H+]1CCc2sccc2C1 ZINC000335303277 136021278 /nfs/dbraw/zinc/02/12/78/136021278.db2.gz ORWQVBFLYCAEJI-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCn1cncc1C[N@H+]1CCc2sccc2C1 ZINC000335303277 136021279 /nfs/dbraw/zinc/02/12/79/136021279.db2.gz ORWQVBFLYCAEJI-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2sccc2C1 ZINC000335303277 136021280 /nfs/dbraw/zinc/02/12/80/136021280.db2.gz ORWQVBFLYCAEJI-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO CC(C)(C)CCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000348009950 136021325 /nfs/dbraw/zinc/02/13/25/136021325.db2.gz VZSCYXALEDHEIW-NSHDSACASA-N 1 2 249.358 2.900 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000335315260 136024426 /nfs/dbraw/zinc/02/44/26/136024426.db2.gz GPWVPXAIFDZMDK-WDEREUQCSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H]3CCC[C@H]32)no1 ZINC000335315260 136024427 /nfs/dbraw/zinc/02/44/27/136024427.db2.gz GPWVPXAIFDZMDK-WDEREUQCSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCCC(C)(C)C2)[nH]1 ZINC000335342067 136064489 /nfs/dbraw/zinc/06/44/89/136064489.db2.gz YPUYVXIHXVJMQC-UHFFFAOYSA-N 1 2 236.363 2.550 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCCC(C)(C)C2)[nH]1 ZINC000335342067 136064490 /nfs/dbraw/zinc/06/44/90/136064490.db2.gz YPUYVXIHXVJMQC-UHFFFAOYSA-N 1 2 236.363 2.550 20 0 BFADLO Fc1ccc2c(cc[nH+]c2N2CC[C@@H](F)C2)c1 ZINC000335348532 136067354 /nfs/dbraw/zinc/06/73/54/136067354.db2.gz MEGVUMMWIWWBAR-LLVKDONJSA-N 1 2 234.249 2.922 20 0 BFADLO CSC1(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000348405831 136076981 /nfs/dbraw/zinc/07/69/81/136076981.db2.gz JIXJAKJFAOKLOM-SECBINFHSA-N 1 2 235.343 2.859 20 0 BFADLO CSC1(C[N@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC000348405831 136076982 /nfs/dbraw/zinc/07/69/82/136076982.db2.gz JIXJAKJFAOKLOM-SECBINFHSA-N 1 2 235.343 2.859 20 0 BFADLO Clc1cc2c(s1)CC[N@@H+]([C@H]1CCOC1)C2 ZINC000335380137 136087520 /nfs/dbraw/zinc/08/75/20/136087520.db2.gz NGVQJGWEDHFEEK-VIFPVBQESA-N 1 2 243.759 2.549 20 0 BFADLO Clc1cc2c(s1)CC[N@H+]([C@H]1CCOC1)C2 ZINC000335380137 136087521 /nfs/dbraw/zinc/08/75/21/136087521.db2.gz NGVQJGWEDHFEEK-VIFPVBQESA-N 1 2 243.759 2.549 20 0 BFADLO c1cn(Cc2nc(C3CCCCCC3)no2)c[nH+]1 ZINC000335364160 136094868 /nfs/dbraw/zinc/09/48/68/136094868.db2.gz YCZVTFJRBVKTME-UHFFFAOYSA-N 1 2 246.314 2.752 20 0 BFADLO CS[C@@H]1CC[C@@H]1Nc1ccc[nH+]c1C ZINC000335557678 136100234 /nfs/dbraw/zinc/10/02/34/136100234.db2.gz ILCHFPNFLPXZBO-WDEREUQCSA-N 1 2 208.330 2.696 20 0 BFADLO CCC1CN(C(=O)Nc2c(C)cc[nH+]c2C)C1 ZINC000335592733 136103739 /nfs/dbraw/zinc/10/37/39/136103739.db2.gz SZRNLJBERNDDNA-UHFFFAOYSA-N 1 2 233.315 2.572 20 0 BFADLO Cc1cc(CNC(=O)[C@]23C[C@H]2CCC3)cc(C)[nH+]1 ZINC000335594628 136104190 /nfs/dbraw/zinc/10/41/90/136104190.db2.gz IUQYGRNYEDHDNN-UKRRQHHQSA-N 1 2 244.338 2.505 20 0 BFADLO CS[C@H]1CC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000335563125 136106857 /nfs/dbraw/zinc/10/68/57/136106857.db2.gz WKKXMULEOTWOSB-MNOVXSKESA-N 1 2 208.330 2.696 20 0 BFADLO CO[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000050374718 322849630 /nfs/dbraw/zinc/84/96/30/322849630.db2.gz LAFLYKRISVEJNT-VXGBXAGGSA-N 1 2 249.358 2.888 20 0 BFADLO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cscn1 ZINC000162419378 397779054 /nfs/dbraw/zinc/77/90/54/397779054.db2.gz CLKOBWLIQIJYLK-ZYHUDNBSSA-N 1 2 248.351 2.527 20 0 BFADLO C[C@H]1CCN(Cc2c[nH+]cn2C)c2ccccc21 ZINC000177009683 397839558 /nfs/dbraw/zinc/83/95/58/397839558.db2.gz MRVWPKIEZHASIC-LBPRGKRZSA-N 1 2 241.338 2.934 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+]CC(C)(F)F)cn1 ZINC000382385644 397943941 /nfs/dbraw/zinc/94/39/41/397943941.db2.gz KRMCNVNZALZEKR-SECBINFHSA-N 1 2 231.290 2.770 20 0 BFADLO c1coc(-c2nc(Cn3cc[nH+]c3)cs2)c1 ZINC000114713221 397950286 /nfs/dbraw/zinc/95/02/86/397950286.db2.gz BGRNZOORBHWZMC-UHFFFAOYSA-N 1 2 231.280 2.648 20 0 BFADLO CC(C)c1nc(N(C)C[C@H]2CCCCO2)cc[nH+]1 ZINC000110260397 397903507 /nfs/dbraw/zinc/90/35/07/397903507.db2.gz DNUHBTQJHHRRJF-GFCCVEGCSA-N 1 2 249.358 2.605 20 0 BFADLO Cc1cc(Cl)cc(C[NH2+]Cc2cocn2)c1 ZINC000382160583 397916009 /nfs/dbraw/zinc/91/60/09/397916009.db2.gz SOQBKQFFGSDSKI-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO CCC=CC[NH2+]Cc1n[nH]c2ccccc21 ZINC000648716644 398000772 /nfs/dbraw/zinc/00/07/72/398000772.db2.gz CAFLBTTYLFXFRC-UTCJRWHESA-N 1 2 215.300 2.619 20 0 BFADLO CCc1cc[nH+]cc1NCc1c(C)noc1C ZINC000650242197 398003697 /nfs/dbraw/zinc/00/36/97/398003697.db2.gz CAHAFWPQKOZCPS-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO CCc1cc[nH+]cc1NCc1cccnc1C ZINC000650242148 398004214 /nfs/dbraw/zinc/00/42/14/398004214.db2.gz AFPXOLGDCCGJHU-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccn(C)c1 ZINC000650243001 398004270 /nfs/dbraw/zinc/00/42/70/398004270.db2.gz GIYNEPCKYVGEJD-UHFFFAOYSA-N 1 2 215.300 2.595 20 0 BFADLO COCc1cc[nH+]c(NCC2(C)CCC2)c1 ZINC000650243755 398006277 /nfs/dbraw/zinc/00/62/77/398006277.db2.gz OBMLLFFOXDGHQQ-UHFFFAOYSA-N 1 2 220.316 2.830 20 0 BFADLO CC[C@H]1[C@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000274668365 398011898 /nfs/dbraw/zinc/01/18/98/398011898.db2.gz GVRQZZSQDVKFCH-PWSUYJOCSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2ccn[nH]2)CCC1 ZINC000649644453 398019141 /nfs/dbraw/zinc/01/91/41/398019141.db2.gz CECFUWSXCGMJOJ-UHFFFAOYSA-N 1 2 241.338 2.887 20 0 BFADLO COCC[C@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000375122933 398022109 /nfs/dbraw/zinc/02/21/09/398022109.db2.gz DTXPROVSBNRULD-CYBMUJFWSA-N 1 2 234.343 2.725 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649656130 398024439 /nfs/dbraw/zinc/02/44/39/398024439.db2.gz AIJBXTBNCLGRNG-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649656130 398024442 /nfs/dbraw/zinc/02/44/42/398024442.db2.gz AIJBXTBNCLGRNG-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO CCc1ccccc1CCOCc1[nH]cc[nH+]1 ZINC000277537633 398030641 /nfs/dbraw/zinc/03/06/41/398030641.db2.gz IASATXVXVUWLRX-UHFFFAOYSA-N 1 2 230.311 2.731 20 0 BFADLO COCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649693184 398041514 /nfs/dbraw/zinc/04/15/14/398041514.db2.gz VNUOXVNYRNCKOQ-UHFFFAOYSA-N 1 2 221.291 2.534 20 0 BFADLO COCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000649693184 398041517 /nfs/dbraw/zinc/04/15/17/398041517.db2.gz VNUOXVNYRNCKOQ-UHFFFAOYSA-N 1 2 221.291 2.534 20 0 BFADLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)cc2C)o1 ZINC000271731706 397972247 /nfs/dbraw/zinc/97/22/47/397972247.db2.gz HBDDPJOFXOJNIR-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO FCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649695321 398042710 /nfs/dbraw/zinc/04/27/10/398042710.db2.gz RIHLNUZFTAKLTN-UHFFFAOYSA-N 1 2 209.255 2.857 20 0 BFADLO FCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000649695321 398042713 /nfs/dbraw/zinc/04/27/13/398042713.db2.gz RIHLNUZFTAKLTN-UHFFFAOYSA-N 1 2 209.255 2.857 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000649704473 398052288 /nfs/dbraw/zinc/05/22/88/398052288.db2.gz JLKHOURKJHYCQU-OLZOCXBDSA-N 1 2 244.338 2.577 20 0 BFADLO CCCc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000293140781 398112936 /nfs/dbraw/zinc/11/29/36/398112936.db2.gz UCTHDDJYKXJIEL-NXEZZACHSA-N 1 2 224.373 2.936 20 0 BFADLO CCCc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000293140781 398112939 /nfs/dbraw/zinc/11/29/39/398112939.db2.gz UCTHDDJYKXJIEL-NXEZZACHSA-N 1 2 224.373 2.936 20 0 BFADLO CC/C(C)=C/C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000294627571 398129063 /nfs/dbraw/zinc/12/90/63/398129063.db2.gz SADUHKDIQBYHRE-JXMROGBWSA-N 1 2 243.310 2.938 20 0 BFADLO Cc1nocc1C[N@@H+](C)Cc1ccoc1C ZINC000295521236 398134507 /nfs/dbraw/zinc/13/45/07/398134507.db2.gz ZXSFJWZRWRFHMZ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nocc1C[N@H+](C)Cc1ccoc1C ZINC000295521236 398134514 /nfs/dbraw/zinc/13/45/14/398134514.db2.gz ZXSFJWZRWRFHMZ-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC(C)OCCCCNc1cccc[nH+]1 ZINC000228562310 167206628 /nfs/dbraw/zinc/20/66/28/167206628.db2.gz AUIKTSPQXDWHHS-UHFFFAOYSA-N 1 2 208.305 2.699 20 0 BFADLO CC(C)OCCC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353178511 167214256 /nfs/dbraw/zinc/21/42/56/167214256.db2.gz XKUSVRPHSBEUKD-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCCC[N@H+]1CCC[C@@H]1C(F)F ZINC000353178511 167214258 /nfs/dbraw/zinc/21/42/58/167214258.db2.gz XKUSVRPHSBEUKD-SNVBAGLBSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCCC[N@H+](CC(F)F)C1CC1 ZINC000106936326 167213864 /nfs/dbraw/zinc/21/38/64/167213864.db2.gz GAIYSMWHKOKQAL-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCCC[N@@H+](CC(F)F)C1CC1 ZINC000106936326 167213865 /nfs/dbraw/zinc/21/38/65/167213865.db2.gz GAIYSMWHKOKQAL-UHFFFAOYSA-N 1 2 221.291 2.531 20 0 BFADLO CC(C)OCC[N@H+](C)Cc1c(F)cccc1F ZINC000299269400 167227325 /nfs/dbraw/zinc/22/73/25/167227325.db2.gz XLSCZHOHTBFQGG-UHFFFAOYSA-N 1 2 243.297 2.822 20 0 BFADLO CC(C)OCC[N@@H+](C)Cc1c(F)cccc1F ZINC000299269400 167227329 /nfs/dbraw/zinc/22/73/29/167227329.db2.gz XLSCZHOHTBFQGG-UHFFFAOYSA-N 1 2 243.297 2.822 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccsc2)o1 ZINC000393800411 487584020 /nfs/dbraw/zinc/58/40/20/487584020.db2.gz RVKORHQKDOKJAC-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000680426930 487592573 /nfs/dbraw/zinc/59/25/73/487592573.db2.gz LKQUSZZEJHAMOH-RVBZMBCESA-N 1 2 241.281 2.794 20 0 BFADLO c1ccc(N2CCNc3ccccc3C2)[nH+]c1 ZINC000685903634 487592629 /nfs/dbraw/zinc/59/26/29/487592629.db2.gz VUZHHEJWAHRWOG-UHFFFAOYSA-N 1 2 225.295 2.514 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccn(C)n1 ZINC000680460098 487599140 /nfs/dbraw/zinc/59/91/40/487599140.db2.gz QKASRFMZPBUBMY-RYUDHWBXSA-N 1 2 244.342 2.617 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccco2)C[C@@](C)(C(F)F)O1 ZINC000668823079 487601569 /nfs/dbraw/zinc/60/15/69/487601569.db2.gz GBWUCJPVRSMFDJ-SKDRFNHKSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@](C)(C(F)F)O1 ZINC000668823079 487601573 /nfs/dbraw/zinc/60/15/73/487601573.db2.gz GBWUCJPVRSMFDJ-SKDRFNHKSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1cccc(O)c1 ZINC000040505099 409822563 /nfs/dbraw/zinc/82/25/63/409822563.db2.gz CBRIWKICQULMCQ-VIFPVBQESA-N 1 2 234.324 2.700 20 0 BFADLO CSc1ccc[nH+]c1NC[C@@H]1C[C@@H]1C ZINC000651971361 409942654 /nfs/dbraw/zinc/94/26/54/409942654.db2.gz BMJDNLYJPNHPHD-IUCAKERBSA-N 1 2 208.330 2.871 20 0 BFADLO CCn1nccc1CNc1[nH+]cccc1SC ZINC000651971844 409943989 /nfs/dbraw/zinc/94/39/89/409943989.db2.gz XORNGMMJAURRJT-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)Cn1cccn1 ZINC000651971702 409944358 /nfs/dbraw/zinc/94/43/58/409944358.db2.gz RASHXMXVEZWADE-JTQLQIEISA-N 1 2 248.355 2.501 20 0 BFADLO CSc1ccc[nH+]c1N[C@H]1CSC[C@@H]1C ZINC000651971910 409946099 /nfs/dbraw/zinc/94/60/99/409946099.db2.gz ZVQWOLJXSHJUON-IUCAKERBSA-N 1 2 240.397 2.967 20 0 BFADLO O=C(CCC1CCC1)Nc1ccc2[nH+]ccn2c1 ZINC000674092331 487611972 /nfs/dbraw/zinc/61/19/72/487611972.db2.gz GMDWTIDECNXWFD-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(F)F)cc1F ZINC000389901080 410019609 /nfs/dbraw/zinc/01/96/09/410019609.db2.gz BZVZCHWXFBVIEM-QMMMGPOBSA-N 1 2 217.234 2.877 20 0 BFADLO Brc1cc(Cn2cc[nH+]c2)cs1 ZINC000121754792 166096369 /nfs/dbraw/zinc/09/63/69/166096369.db2.gz QTKJGGWFXRTRLA-UHFFFAOYSA-N 1 2 243.129 2.755 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)CCn1cccn1 ZINC000651979425 410112763 /nfs/dbraw/zinc/11/27/63/410112763.db2.gz QRDAISCOWFDJSP-GFCCVEGCSA-N 1 2 244.342 2.731 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)C1CCOCC1 ZINC000651979634 410114504 /nfs/dbraw/zinc/11/45/04/410114504.db2.gz BTTKQDGQHNNSLG-NSHDSACASA-N 1 2 234.343 2.871 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCOC1 ZINC000651979946 410115894 /nfs/dbraw/zinc/11/58/94/410115894.db2.gz SCESYORIRFXORH-WCQYABFASA-N 1 2 234.343 2.871 20 0 BFADLO Cc1cc(C)c(NC(=O)NC2CC=CC2)c(C)[nH+]1 ZINC000653181756 410154856 /nfs/dbraw/zinc/15/48/56/410154856.db2.gz YWYOLSHPYLJPTL-UHFFFAOYSA-N 1 2 245.326 2.847 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CC(C)(C)C2)c(C)[nH+]1 ZINC000653187560 410156539 /nfs/dbraw/zinc/15/65/39/410156539.db2.gz QZHWTSJQXMFFQA-UHFFFAOYSA-N 1 2 247.342 2.881 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3c(N)cccc32)C[C@H]1C ZINC000663674445 410305964 /nfs/dbraw/zinc/30/59/64/410305964.db2.gz SVKRFLRNZOBAJE-GHMZBOCLSA-N 1 2 241.338 2.909 20 0 BFADLO C(=C\c1ccncn1)\c1[nH+]ccn1-c1ccccc1 ZINC000358692010 166227849 /nfs/dbraw/zinc/22/78/49/166227849.db2.gz YOPQMLNTGOIKHB-SREVYHEPSA-N 1 2 248.289 2.833 20 0 BFADLO Cc1cc(N2CC[C@@H]3C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000664524303 410594521 /nfs/dbraw/zinc/59/45/21/410594521.db2.gz LIFVDXGMMQSNPU-VXGBXAGGSA-N 1 2 229.327 2.509 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc[nH]n1 ZINC000679583271 487618891 /nfs/dbraw/zinc/61/88/91/487618891.db2.gz DCPDCBMLPBUUNQ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc[nH]n1 ZINC000679583271 487618892 /nfs/dbraw/zinc/61/88/92/487618892.db2.gz DCPDCBMLPBUUNQ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO CC(C)C[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000271197951 167017233 /nfs/dbraw/zinc/01/72/33/167017233.db2.gz DXHKJCQNMLFGIZ-UHFFFAOYSA-N 1 2 237.343 2.904 20 0 BFADLO CC(C)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000301878180 167018386 /nfs/dbraw/zinc/01/83/86/167018386.db2.gz JHNPOTQFDLGVIH-UHFFFAOYSA-N 1 2 247.346 2.649 20 0 BFADLO CC(C)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000295090193 167306599 /nfs/dbraw/zinc/30/65/99/167306599.db2.gz TUNIENHPRZERSX-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO CCc1nc(N2CCC23CCCC3)cc(C)[nH+]1 ZINC000651373843 410959780 /nfs/dbraw/zinc/95/97/80/410959780.db2.gz SXNKNEVNKMZXIG-UHFFFAOYSA-N 1 2 231.343 2.870 20 0 BFADLO CCC[C@@H](C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000652021428 411036171 /nfs/dbraw/zinc/03/61/71/411036171.db2.gz FYUJKGMDYLPJRI-LLVKDONJSA-N 1 2 249.358 2.686 20 0 BFADLO CCc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000651715839 411138164 /nfs/dbraw/zinc/13/81/64/411138164.db2.gz AQBKJEVZKIVNDY-UHFFFAOYSA-N 1 2 216.284 2.527 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cncs2)[C@@H](CC)CO1 ZINC000651912834 411150101 /nfs/dbraw/zinc/15/01/01/411150101.db2.gz FXODBHPTNKNEAP-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cncs2)[C@@H](CC)CO1 ZINC000651912834 411150102 /nfs/dbraw/zinc/15/01/02/411150102.db2.gz FXODBHPTNKNEAP-WDEREUQCSA-N 1 2 240.372 2.533 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cc(C2CC2)no1 ZINC000659981824 411153765 /nfs/dbraw/zinc/15/37/65/411153765.db2.gz XRCOPNNLYWVDCH-UHFFFAOYSA-N 1 2 231.299 2.512 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cc(C2CC2)no1 ZINC000659981824 411153770 /nfs/dbraw/zinc/15/37/70/411153770.db2.gz XRCOPNNLYWVDCH-UHFFFAOYSA-N 1 2 231.299 2.512 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000110484547 167690322 /nfs/dbraw/zinc/69/03/22/167690322.db2.gz PQKFHMRWVQIDLY-RYUDHWBXSA-N 1 2 249.358 2.970 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@H](C)SC1 ZINC000655748992 411161425 /nfs/dbraw/zinc/16/14/25/411161425.db2.gz NWGBHGRQLCRICS-UWVGGRQHSA-N 1 2 238.356 2.786 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000652068308 411105654 /nfs/dbraw/zinc/10/56/54/411105654.db2.gz ZHMQSGCJGWJSII-HOSYDEDBSA-N 1 2 220.316 2.684 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](F)C1 ZINC000652076598 411109070 /nfs/dbraw/zinc/10/90/70/411109070.db2.gz NIMKNOWSUIGLRX-ZDUSSCGKSA-N 1 2 239.338 2.706 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](F)C1 ZINC000652076598 411109073 /nfs/dbraw/zinc/10/90/73/411109073.db2.gz NIMKNOWSUIGLRX-ZDUSSCGKSA-N 1 2 239.338 2.706 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000652076764 411109396 /nfs/dbraw/zinc/10/93/96/411109396.db2.gz XWEXZBLBPHIHFQ-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000652076764 411109399 /nfs/dbraw/zinc/10/93/99/411109399.db2.gz XWEXZBLBPHIHFQ-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CO[C@@H](C[N@H+](CC(F)F)C(C)C)C1CCC1 ZINC000660018607 411177490 /nfs/dbraw/zinc/17/74/90/411177490.db2.gz VLVMPFVWLPQHMI-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO CO[C@@H](C[N@@H+](CC(F)F)C(C)C)C1CCC1 ZINC000660018607 411177492 /nfs/dbraw/zinc/17/74/92/411177492.db2.gz VLVMPFVWLPQHMI-NSHDSACASA-N 1 2 235.318 2.777 20 0 BFADLO Cc1ccc(N[C@@H]2COC3(CCC3)C2)c[nH+]1 ZINC000657949715 411177674 /nfs/dbraw/zinc/17/76/74/411177674.db2.gz UYPUTXMDSXSBIL-LBPRGKRZSA-N 1 2 218.300 2.514 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccccn2)C(C)C)no1 ZINC000048273612 411183418 /nfs/dbraw/zinc/18/34/18/411183418.db2.gz RMMPTFWDNYJNCC-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccccn2)C(C)C)no1 ZINC000048273612 411183422 /nfs/dbraw/zinc/18/34/22/411183422.db2.gz RMMPTFWDNYJNCC-UHFFFAOYSA-N 1 2 245.326 2.789 20 0 BFADLO COc1c(C)[nH+]cnc1NCC(C1CC1)C1CC1 ZINC000656130549 411183808 /nfs/dbraw/zinc/18/38/08/411183808.db2.gz QXZOOTCGAONBLB-UHFFFAOYSA-N 1 2 247.342 2.642 20 0 BFADLO CC[C@@]1(C)CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656129812 411184222 /nfs/dbraw/zinc/18/42/22/411184222.db2.gz AQNOVRAITCQQPK-AWEZNQCLSA-N 1 2 249.358 2.810 20 0 BFADLO CCC[C@H]1CCCN(c2nc[nH+]c(C)c2OC)C1 ZINC000656146330 411186090 /nfs/dbraw/zinc/18/60/90/411186090.db2.gz GMXSKHCFDCNKHE-LBPRGKRZSA-N 1 2 249.358 2.810 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC[C@H](C)C(C)(C)C1 ZINC000656160156 411190702 /nfs/dbraw/zinc/19/07/02/411190702.db2.gz LKXPNLQKXFEOPV-JTQLQIEISA-N 1 2 249.358 2.666 20 0 BFADLO COc1c(C)[nH+]cnc1N1CC2(CCC2)C[C@H]1C ZINC000656178753 411193657 /nfs/dbraw/zinc/19/36/57/411193657.db2.gz BFIZRDQRBRLFTP-SNVBAGLBSA-N 1 2 247.342 2.563 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@@H]2C=CCCCCC2)n1 ZINC000653888793 411210129 /nfs/dbraw/zinc/21/01/29/411210129.db2.gz GWVIIOUQCNGMOI-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO Cc1noc(C[N@H+](C)[C@@H]2C=CCCCCC2)n1 ZINC000653888793 411210132 /nfs/dbraw/zinc/21/01/32/411210132.db2.gz GWVIIOUQCNGMOI-GFCCVEGCSA-N 1 2 235.331 2.699 20 0 BFADLO c1ccc(NC[C@@H]2CCC3(CCCC3)O2)[nH+]c1 ZINC000656227012 411212774 /nfs/dbraw/zinc/21/27/74/411212774.db2.gz KWYJDJFYMLYVAJ-LBPRGKRZSA-N 1 2 232.327 2.985 20 0 BFADLO COC[C@@H](CC(C)(C)C)Nc1cc(C)[nH+]cn1 ZINC000656220833 411213054 /nfs/dbraw/zinc/21/30/54/411213054.db2.gz XVRWQAPLSPKXSL-LLVKDONJSA-N 1 2 237.347 2.648 20 0 BFADLO CC1=CC[C@@](C)(C(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000659293088 411213739 /nfs/dbraw/zinc/21/37/39/411213739.db2.gz CRKFVPUKQYZPGB-CQSZACIVSA-N 1 2 245.326 2.739 20 0 BFADLO CCc1cc(N[C@H]2C[C@H](OC(C)(C)C)C2)nc[nH+]1 ZINC000656222171 411214167 /nfs/dbraw/zinc/21/41/67/411214167.db2.gz RISHOCXOXKVBIR-HAQNSBGRSA-N 1 2 249.358 2.797 20 0 BFADLO CC[C@@H](Nc1cccc[nH+]1)[C@@H]1CCCCO1 ZINC000656229470 411214403 /nfs/dbraw/zinc/21/44/03/411214403.db2.gz WSAHBPBNURFAGV-NEPJUHHUSA-N 1 2 220.316 2.841 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)CCCC2=O ZINC000656371549 411236850 /nfs/dbraw/zinc/23/68/50/411236850.db2.gz HPIGIRHBPANOPV-UHFFFAOYSA-N 1 2 226.279 2.606 20 0 BFADLO Cn1cc[nH+]c1-c1ccc(OC2CCCC2)nc1 ZINC000656371638 411238051 /nfs/dbraw/zinc/23/80/51/411238051.db2.gz LPIRWXVEQFEQOF-UHFFFAOYSA-N 1 2 243.310 2.804 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cscn1 ZINC000658151126 411266636 /nfs/dbraw/zinc/26/66/36/411266636.db2.gz DOEMQGUTKYDRKT-UWVGGRQHSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@@H]2CCCCO2)c1 ZINC000653465622 411283708 /nfs/dbraw/zinc/28/37/08/411283708.db2.gz IDKXFCYWQSGBIA-AAEUAGOBSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1ccc(N[C@H](C)[C@H]2CCCCO2)c[nH+]1 ZINC000653466118 411284774 /nfs/dbraw/zinc/28/47/74/411284774.db2.gz YTVVWSORRPCHDN-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO CC[C@H](C)[C@H](CNc1c[nH+]cc(C)c1)OC ZINC000653469225 411289946 /nfs/dbraw/zinc/28/99/46/411289946.db2.gz RXAJOQKLTGWGRJ-AAEUAGOBSA-N 1 2 222.332 2.863 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccccn2)c(C)o1 ZINC000660244628 411304644 /nfs/dbraw/zinc/30/46/44/411304644.db2.gz RXFJEPNUQSACOH-VIFPVBQESA-N 1 2 231.299 2.537 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(C)cn1 ZINC000659822758 411305449 /nfs/dbraw/zinc/30/54/49/411305449.db2.gz OPQOYFIGICWMCJ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)cn1 ZINC000659822758 411305453 /nfs/dbraw/zinc/30/54/53/411305453.db2.gz OPQOYFIGICWMCJ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO COc1ccc(F)cc1C[NH+]1CC(C(F)F)C1 ZINC000656691943 411331410 /nfs/dbraw/zinc/33/14/10/411331410.db2.gz PUCIGNYVTLWEDQ-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)CCCC2CC2)c2[nH+]ccn21 ZINC000654010758 411312659 /nfs/dbraw/zinc/31/26/59/411312659.db2.gz UAOQQLDQZVSEFK-PWSUYJOCSA-N 1 2 247.342 2.585 20 0 BFADLO CCC(C)(CC)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000654011847 411313999 /nfs/dbraw/zinc/31/39/99/411313999.db2.gz VPTSIVUGFHEVOV-GHMZBOCLSA-N 1 2 249.358 2.831 20 0 BFADLO CCOc1cc(C)ccc1[NH2+]CC[C@H](C)O ZINC000656642145 411315077 /nfs/dbraw/zinc/31/50/77/411315077.db2.gz LNNCUEFCEKLCIO-NSHDSACASA-N 1 2 223.316 2.577 20 0 BFADLO CCCOc1cc(C)ccc1[NH2+]CC[C@@H](C)O ZINC000656641666 411315092 /nfs/dbraw/zinc/31/50/92/411315092.db2.gz GUBIJKKPBYEDQQ-GFCCVEGCSA-N 1 2 237.343 2.967 20 0 BFADLO CCC1(CC)C[NH+](Cc2nccs2)C1 ZINC000656661761 411319260 /nfs/dbraw/zinc/31/92/60/411319260.db2.gz SWUZXQSUUIZBOA-UHFFFAOYSA-N 1 2 210.346 2.765 20 0 BFADLO Cn1ccc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000656776149 411357043 /nfs/dbraw/zinc/35/70/43/411357043.db2.gz JHAPDMSYMOGRPU-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO CC(C)CC1([NH2+]Cc2noc(C3CC3)n2)CC1 ZINC000662070683 411357233 /nfs/dbraw/zinc/35/72/33/411357233.db2.gz MRSKVEBOSWJAST-UHFFFAOYSA-N 1 2 235.331 2.615 20 0 BFADLO Cc1ccc(NCc2c(C3CC3)cnn2C)c[nH+]1 ZINC000656769977 411362742 /nfs/dbraw/zinc/36/27/42/411362742.db2.gz LTRZMJDCYZSXBN-UHFFFAOYSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(CC(C)C)no1 ZINC000656748788 411343754 /nfs/dbraw/zinc/34/37/54/411343754.db2.gz XNCWEOOWLHDETE-UHFFFAOYSA-N 1 2 231.299 2.562 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc[nH]1 ZINC000280316256 168004433 /nfs/dbraw/zinc/00/44/33/168004433.db2.gz XPVBADHHTKQGNK-SECBINFHSA-N 1 2 247.264 2.573 20 0 BFADLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc[nH]1 ZINC000280316256 168004435 /nfs/dbraw/zinc/00/44/35/168004435.db2.gz XPVBADHHTKQGNK-SECBINFHSA-N 1 2 247.264 2.573 20 0 BFADLO CC1(C)[C@H](Nc2cccc[nH+]2)[C@@H]2CCCO[C@H]21 ZINC000374140722 168005813 /nfs/dbraw/zinc/00/58/13/168005813.db2.gz BZRSXPDZCWBFNB-CYZMBNFOSA-N 1 2 232.327 2.697 20 0 BFADLO CC(C)(C)C(F)(F)CN[C@@H]1CCn2cc[nH+]c21 ZINC000658339523 411346073 /nfs/dbraw/zinc/34/60/73/411346073.db2.gz SNFFPEGUUBPCQS-SECBINFHSA-N 1 2 243.301 2.599 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(CC(C)C)no2)CC1 ZINC000280832084 168084558 /nfs/dbraw/zinc/08/45/58/168084558.db2.gz WASOKUAJVCOPAF-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(CC(C)C)no2)CC1 ZINC000280832084 168084559 /nfs/dbraw/zinc/08/45/59/168084559.db2.gz WASOKUAJVCOPAF-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000280814587 168084931 /nfs/dbraw/zinc/08/49/31/168084931.db2.gz UFIQTXYUJALVNR-UHFFFAOYSA-N 1 2 249.358 2.909 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(C(C)(C)C)no2)CC1 ZINC000280814587 168084934 /nfs/dbraw/zinc/08/49/34/168084934.db2.gz UFIQTXYUJALVNR-UHFFFAOYSA-N 1 2 249.358 2.909 20 0 BFADLO CC1=C(C)C[N@H+](Cc2ncc(Cl)n2C)CC1 ZINC000280800991 168085669 /nfs/dbraw/zinc/08/56/69/168085669.db2.gz SBTHLEGXXVTZPW-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2ncc(Cl)n2C)CC1 ZINC000280800991 168085670 /nfs/dbraw/zinc/08/56/70/168085670.db2.gz SBTHLEGXXVTZPW-UHFFFAOYSA-N 1 2 239.750 2.616 20 0 BFADLO CC1=C(C)C[N@H+]([C@H](C)c2csnn2)CC1 ZINC000336260457 168087150 /nfs/dbraw/zinc/08/71/50/168087150.db2.gz PBWYGEPNBBXYAK-SNVBAGLBSA-N 1 2 223.345 2.641 20 0 BFADLO CC1=C(C)C[N@@H+]([C@H](C)c2csnn2)CC1 ZINC000336260457 168087153 /nfs/dbraw/zinc/08/71/53/168087153.db2.gz PBWYGEPNBBXYAK-SNVBAGLBSA-N 1 2 223.345 2.641 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC=C(C)C1 ZINC000287558022 168095805 /nfs/dbraw/zinc/09/58/05/168095805.db2.gz PHTDUKGZTMTIDY-UHFFFAOYSA-N 1 2 245.326 2.882 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CCC=C(C)C2)s1 ZINC000282362090 168100509 /nfs/dbraw/zinc/10/05/09/168100509.db2.gz BKCUOXQMFKUKPD-SECBINFHSA-N 1 2 223.345 2.560 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CCC=C(C)C2)s1 ZINC000282362090 168100512 /nfs/dbraw/zinc/10/05/12/168100512.db2.gz BKCUOXQMFKUKPD-SECBINFHSA-N 1 2 223.345 2.560 20 0 BFADLO CC1=CCC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000280933039 168100746 /nfs/dbraw/zinc/10/07/46/168100746.db2.gz VKUYDOMHGWYKSV-SNVBAGLBSA-N 1 2 233.315 2.660 20 0 BFADLO CC1=CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000280933039 168100748 /nfs/dbraw/zinc/10/07/48/168100748.db2.gz VKUYDOMHGWYKSV-SNVBAGLBSA-N 1 2 233.315 2.660 20 0 BFADLO CC(C)c1nc(NC2CC(C)C2)cc[nH+]1 ZINC000309003241 168148338 /nfs/dbraw/zinc/14/83/38/168148338.db2.gz OUYVIRVUKZZKSX-UHFFFAOYSA-N 1 2 205.305 2.810 20 0 BFADLO CCC(C)(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263720008 168261387 /nfs/dbraw/zinc/26/13/87/168261387.db2.gz DKVPNERLOMLCOQ-UHFFFAOYSA-N 1 2 249.358 2.552 20 0 BFADLO CCC(C)(C)CC(=O)Nc1cc[nH+]cc1C ZINC000362600686 168273244 /nfs/dbraw/zinc/27/32/44/168273244.db2.gz QQLUMYBNRZGGGN-UHFFFAOYSA-N 1 2 220.316 2.577 20 0 BFADLO Cc1c[nH+]c(C)c(NC[C@H]2CCSC2)c1 ZINC000404716014 411405938 /nfs/dbraw/zinc/40/59/38/411405938.db2.gz SXKIKSFOGCHDKF-LLVKDONJSA-N 1 2 222.357 2.863 20 0 BFADLO Cc1cc[nH+]cc1NCc1cc2n(n1)CCCC2 ZINC000653498563 411413530 /nfs/dbraw/zinc/41/35/30/411413530.db2.gz AHFHYUHOJVBGHE-UHFFFAOYSA-N 1 2 242.326 2.535 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1nccs1 ZINC000266943967 411419331 /nfs/dbraw/zinc/41/93/31/411419331.db2.gz QYBJYTJBCUAJCR-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1nccs1 ZINC000266943967 411419334 /nfs/dbraw/zinc/41/93/34/411419334.db2.gz QYBJYTJBCUAJCR-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO CC(C)[C@H]1OCCC[C@H]1CNc1cccc[nH+]1 ZINC000267691968 411421937 /nfs/dbraw/zinc/42/19/37/411421937.db2.gz QQGRYYQHNFIXIU-GXTWGEPZSA-N 1 2 234.343 2.945 20 0 BFADLO Cc1cnc(SCCn2cc[nH+]c2)c(C)c1 ZINC000657280365 411441020 /nfs/dbraw/zinc/44/10/20/411441020.db2.gz KVBHDMMWGRUMHW-UHFFFAOYSA-N 1 2 233.340 2.687 20 0 BFADLO CCN(Cc1cccc(F)c1)c1cc(C)[nH+]cn1 ZINC000301225534 169911517 /nfs/dbraw/zinc/91/15/17/169911517.db2.gz DEQQIPFGRDPLJF-UHFFFAOYSA-N 1 2 245.301 2.951 20 0 BFADLO Cc1[nH+]c(C(C)C)ccc1Cn1ccsc1=O ZINC000292637993 411470036 /nfs/dbraw/zinc/47/00/36/411470036.db2.gz LJQGYRAPRJBMSU-UHFFFAOYSA-N 1 2 248.351 2.785 20 0 BFADLO Cc1nc(C[NH2+]C2(c3ccc(F)cc3)CC2)co1 ZINC000660067549 411532900 /nfs/dbraw/zinc/53/29/00/411532900.db2.gz ZSRYTJCRQWEMNT-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cc(C2CC2)no1 ZINC000659853655 411478440 /nfs/dbraw/zinc/47/84/40/411478440.db2.gz UZSLPHBINKGGIR-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cc(C2CC2)no1 ZINC000659853655 411478443 /nfs/dbraw/zinc/47/84/43/411478443.db2.gz UZSLPHBINKGGIR-UHFFFAOYSA-N 1 2 232.283 2.777 20 0 BFADLO CC[C@@H]1C[C@H](Nc2ccc(SC)c[nH+]2)CO1 ZINC000657401895 411496442 /nfs/dbraw/zinc/49/64/42/411496442.db2.gz HNJWPNQSGRUYRC-VHSXEESVSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1c[nH]c(CNc2ccc(OC(C)C)nc2)[nH+]1 ZINC000657412488 411498217 /nfs/dbraw/zinc/49/82/17/411498217.db2.gz FYVFXJNMULZPGT-UHFFFAOYSA-N 1 2 246.314 2.512 20 0 BFADLO CC[C@@H]([NH2+]Cc1nc(C)c[nH]1)c1c(C)noc1C ZINC000657418370 411502110 /nfs/dbraw/zinc/50/21/10/411502110.db2.gz DNTRONUMOYXJFC-LLVKDONJSA-N 1 2 248.330 2.564 20 0 BFADLO CC[C@H](C)n1nc(NCc2[nH]cc(C)[nH+]2)cc1C ZINC000657426647 411503972 /nfs/dbraw/zinc/50/39/72/411503972.db2.gz BQVXIWFYVPPLGO-JTQLQIEISA-N 1 2 247.346 2.806 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccc(O)c2)c(C)o1 ZINC000659982964 411518082 /nfs/dbraw/zinc/51/80/82/411518082.db2.gz AMLVYPGJDJWPTA-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccc(O)c2)c(C)o1 ZINC000659982964 411518083 /nfs/dbraw/zinc/51/80/83/411518083.db2.gz AMLVYPGJDJWPTA-UHFFFAOYSA-N 1 2 246.310 2.629 20 0 BFADLO Cc1ccc2cc(C[NH2+]CC(F)F)[nH]c2c1 ZINC000657462815 411518501 /nfs/dbraw/zinc/51/85/01/411518501.db2.gz HMUUFQMKKJZKIY-UHFFFAOYSA-N 1 2 224.254 2.831 20 0 BFADLO CC[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844766 170004909 /nfs/dbraw/zinc/00/49/09/170004909.db2.gz MOACOIMPWISTHT-GFCCVEGCSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844766 170004911 /nfs/dbraw/zinc/00/49/11/170004911.db2.gz MOACOIMPWISTHT-GFCCVEGCSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844765 170006325 /nfs/dbraw/zinc/00/63/25/170006325.db2.gz MOACOIMPWISTHT-LBPRGKRZSA-N 1 2 243.709 2.872 20 0 BFADLO CC[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000066844765 170006326 /nfs/dbraw/zinc/00/63/26/170006326.db2.gz MOACOIMPWISTHT-LBPRGKRZSA-N 1 2 243.709 2.872 20 0 BFADLO CCN1C[C@@H](C)[N@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000353814368 170028126 /nfs/dbraw/zinc/02/81/26/170028126.db2.gz ZTTIHSDJQOAICV-VXGBXAGGSA-N 1 2 236.359 2.503 20 0 BFADLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C)o2)C[C@H]1C ZINC000353814368 170028127 /nfs/dbraw/zinc/02/81/27/170028127.db2.gz ZTTIHSDJQOAICV-VXGBXAGGSA-N 1 2 236.359 2.503 20 0 BFADLO CC(C)C[NH2+][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655853375 411537800 /nfs/dbraw/zinc/53/78/00/411537800.db2.gz VORBFWLFXJXHQO-VHSXEESVSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1nc(C[NH2+]C2(c3cccc(F)c3)CC2)co1 ZINC000660198126 411552787 /nfs/dbraw/zinc/55/27/87/411552787.db2.gz WBLMTENRTAJYSI-UHFFFAOYSA-N 1 2 246.285 2.901 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2CCCC[C@H]2C)no1 ZINC000660217247 411555427 /nfs/dbraw/zinc/55/54/27/411555427.db2.gz OXSFLKAXCDBFFH-ZYHUDNBSSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2CCCC[C@H]2C)no1 ZINC000660217247 411555428 /nfs/dbraw/zinc/55/54/28/411555428.db2.gz OXSFLKAXCDBFFH-ZYHUDNBSSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1ncc[nH]1 ZINC000660143910 411544996 /nfs/dbraw/zinc/54/49/96/411544996.db2.gz ILUDJHCXQFKCOX-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1ncc[nH]1 ZINC000660143910 411544997 /nfs/dbraw/zinc/54/49/97/411544997.db2.gz ILUDJHCXQFKCOX-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1c[nH]nc1CNc1c[nH+]cc2c1CCCC2 ZINC000657534534 411545680 /nfs/dbraw/zinc/54/56/80/411545680.db2.gz VQMSSPMGYYRKRI-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO CCOC(=O)C[N@H+](Cc1cccc(C)c1)C1CC1 ZINC000048336324 170218241 /nfs/dbraw/zinc/21/82/41/170218241.db2.gz NTFZYKWVAUWORV-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CCOC(=O)C[N@@H+](Cc1cccc(C)c1)C1CC1 ZINC000048336324 170218242 /nfs/dbraw/zinc/21/82/42/170218242.db2.gz NTFZYKWVAUWORV-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000341906220 170226576 /nfs/dbraw/zinc/22/65/76/170226576.db2.gz HRVMTGLBCRGFFH-LBPRGKRZSA-N 1 2 235.327 2.517 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000037394289 170226594 /nfs/dbraw/zinc/22/65/94/170226594.db2.gz YGGNMPRWYZBXMY-ZDUSSCGKSA-N 1 2 235.327 2.599 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+](C/C=C/Cl)C1CC1 ZINC000190621134 170250099 /nfs/dbraw/zinc/25/00/99/170250099.db2.gz UISKJWOERUJGNZ-AYLMVEPYSA-N 1 2 245.750 2.545 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+](C/C=C/Cl)C1CC1 ZINC000190621134 170250101 /nfs/dbraw/zinc/25/01/01/170250101.db2.gz UISKJWOERUJGNZ-AYLMVEPYSA-N 1 2 245.750 2.545 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cc(C)ccc1C ZINC000353592124 170265251 /nfs/dbraw/zinc/26/52/51/170265251.db2.gz PFPKXRBSMKOZQO-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC000353592124 170265252 /nfs/dbraw/zinc/26/52/52/170265252.db2.gz PFPKXRBSMKOZQO-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)C/C=C\c1ccccc1 ZINC000353611490 170265561 /nfs/dbraw/zinc/26/55/61/170265561.db2.gz CMPOGIBQHOHASC-ZWXCPPHNSA-N 1 2 247.338 2.583 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)C/C=C\c1ccccc1 ZINC000353611490 170265563 /nfs/dbraw/zinc/26/55/63/170265563.db2.gz CMPOGIBQHOHASC-ZWXCPPHNSA-N 1 2 247.338 2.583 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000336757541 170267216 /nfs/dbraw/zinc/26/72/16/170267216.db2.gz HSZFLHPLABHGQC-VIFPVBQESA-N 1 2 241.356 2.524 20 0 BFADLO CCOC(=O)[C@H](CC(C)C)[NH2+]Cc1ccccc1 ZINC000037952729 170270660 /nfs/dbraw/zinc/27/06/60/170270660.db2.gz OHXOOTUFTWMBSX-AWEZNQCLSA-N 1 2 249.354 2.754 20 0 BFADLO CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CC ZINC000038067600 170273696 /nfs/dbraw/zinc/27/36/96/170273696.db2.gz CDURRMKSEUKQKS-OCCSQVGLSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)co1 ZINC000660266422 411562058 /nfs/dbraw/zinc/56/20/58/411562058.db2.gz BUNYXDXAFVTUIT-SNVBAGLBSA-N 1 2 248.330 2.611 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000339573702 170279275 /nfs/dbraw/zinc/27/92/75/170279275.db2.gz NIXJWOQLQUGJFN-OBJOEFQTSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@@H]1C ZINC000339573702 170279277 /nfs/dbraw/zinc/27/92/77/170279277.db2.gz NIXJWOQLQUGJFN-OBJOEFQTSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC1CC(Sc2[nH+]cc3ccccn32)C1 ZINC000278488329 170331006 /nfs/dbraw/zinc/33/10/06/170331006.db2.gz AVYMQMKZJFJJNR-UHFFFAOYSA-N 1 2 248.351 2.994 20 0 BFADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1nccs1)CC2 ZINC000657693793 411580177 /nfs/dbraw/zinc/58/01/77/411580177.db2.gz PCSHRFFNFUBAPW-GFCCVEGCSA-N 1 2 246.335 2.626 20 0 BFADLO Cc1nc(C[NH2+]C(C)(C)c2c(C)noc2C)co1 ZINC000660547708 411597861 /nfs/dbraw/zinc/59/78/61/411597861.db2.gz CYOWAEYKGSNURZ-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1F ZINC000657794415 411599509 /nfs/dbraw/zinc/59/95/09/411599509.db2.gz VSHCAWSOHIARLX-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO CCCc1nc(C[N@H+](CC)[C@@H](C)CC)no1 ZINC000661108649 411712577 /nfs/dbraw/zinc/71/25/77/411712577.db2.gz MRASFUGBHKLXGK-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](CC)[C@@H](C)CC)no1 ZINC000661108649 411712580 /nfs/dbraw/zinc/71/25/80/411712580.db2.gz MRASFUGBHKLXGK-JTQLQIEISA-N 1 2 225.336 2.643 20 0 BFADLO FC(F)n1ccnc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660929255 411679080 /nfs/dbraw/zinc/67/90/80/411679080.db2.gz WTOBSODCEGDFSF-UWVGGRQHSA-N 1 2 241.285 2.653 20 0 BFADLO FC(F)n1ccnc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660929255 411679084 /nfs/dbraw/zinc/67/90/84/411679084.db2.gz WTOBSODCEGDFSF-UWVGGRQHSA-N 1 2 241.285 2.653 20 0 BFADLO CCOc1ccc(Nc2[nH+]cccc2N)cc1 ZINC000015864719 170554941 /nfs/dbraw/zinc/55/49/41/170554941.db2.gz BKZYUBPZGUGWAG-UHFFFAOYSA-N 1 2 229.283 2.806 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000661085847 411696528 /nfs/dbraw/zinc/69/65/28/411696528.db2.gz REORZILVXFXFLN-AWEZNQCLSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)[C@H]1CCc2ccc(F)cc21 ZINC000661085847 411696530 /nfs/dbraw/zinc/69/65/30/411696530.db2.gz REORZILVXFXFLN-AWEZNQCLSA-N 1 2 245.301 2.668 20 0 BFADLO Cc1nc([C@@H](C)[NH+]2CCC(C3CCC3)CC2)no1 ZINC000661374205 411758498 /nfs/dbraw/zinc/75/84/98/411758498.db2.gz LSZAWOQSXLMKOY-SNVBAGLBSA-N 1 2 249.358 2.951 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661408678 411770561 /nfs/dbraw/zinc/77/05/61/411770561.db2.gz LXBAPUPBIHLVRB-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](O)C(F)(F)C2)C1 ZINC000661408678 411770564 /nfs/dbraw/zinc/77/05/64/411770564.db2.gz LXBAPUPBIHLVRB-IJLUTSLNSA-N 1 2 247.329 2.515 20 0 BFADLO CN(c1[nH+]ccc2c(N)cccc21)C1CCC1 ZINC000663673037 411719877 /nfs/dbraw/zinc/71/98/77/411719877.db2.gz XAMBVERYXZMKLG-UHFFFAOYSA-N 1 2 227.311 2.806 20 0 BFADLO Fc1ccc([C@H]2CC[N@@H+]2Cc2ccno2)cc1 ZINC000661516046 411794463 /nfs/dbraw/zinc/79/44/63/411794463.db2.gz XCMOHBWSIUWKIZ-CYBMUJFWSA-N 1 2 232.258 2.761 20 0 BFADLO Fc1ccc([C@H]2CC[N@H+]2Cc2ccno2)cc1 ZINC000661516046 411794467 /nfs/dbraw/zinc/79/44/67/411794467.db2.gz XCMOHBWSIUWKIZ-CYBMUJFWSA-N 1 2 232.258 2.761 20 0 BFADLO COc1cc[nH+]cc1Cn1ccc(C(C)(C)C)n1 ZINC000664041308 411823950 /nfs/dbraw/zinc/82/39/50/411823950.db2.gz GRLMNJFJMOAQRF-UHFFFAOYSA-N 1 2 245.326 2.633 20 0 BFADLO Cc1[nH+]cccc1Cn1ccc(C(C)(C)C)n1 ZINC000664042093 411825786 /nfs/dbraw/zinc/82/57/86/411825786.db2.gz VRCRUMMUBUDNNF-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CCC[C@H](CCF)C2)no1 ZINC000661688774 411839188 /nfs/dbraw/zinc/83/91/88/411839188.db2.gz ICSQCRPLAOBMTI-GXSJLCMTSA-N 1 2 241.310 2.511 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CCC[C@H](CCF)C2)no1 ZINC000661688774 411839191 /nfs/dbraw/zinc/83/91/91/411839191.db2.gz ICSQCRPLAOBMTI-GXSJLCMTSA-N 1 2 241.310 2.511 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661688768 411840328 /nfs/dbraw/zinc/84/03/28/411840328.db2.gz IAEZKFCCQOTWIO-NXEZZACHSA-N 1 2 243.351 2.671 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661688768 411840329 /nfs/dbraw/zinc/84/03/29/411840329.db2.gz IAEZKFCCQOTWIO-NXEZZACHSA-N 1 2 243.351 2.671 20 0 BFADLO CC[C@H](C)CCNc1nc[nH+]c(N)c1Cl ZINC000664228043 411889265 /nfs/dbraw/zinc/88/92/65/411889265.db2.gz KOUGUVCGDWDMFQ-ZETCQYMHSA-N 1 2 228.727 2.560 20 0 BFADLO CC[C@H](C)CCNc1[nH+]cnc(N)c1Cl ZINC000664228043 411889269 /nfs/dbraw/zinc/88/92/69/411889269.db2.gz KOUGUVCGDWDMFQ-ZETCQYMHSA-N 1 2 228.727 2.560 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)c1cscn1 ZINC000664262434 411904305 /nfs/dbraw/zinc/90/43/05/411904305.db2.gz WEZOKIFSTYIQFK-QMMMGPOBSA-N 1 2 246.339 2.984 20 0 BFADLO c1ccc(N2CCC[C@@H]([C@H]3CCCCO3)C2)[nH+]c1 ZINC000664482236 411970753 /nfs/dbraw/zinc/97/07/53/411970753.db2.gz HWKLHBODBJPHSN-ZIAGYGMSSA-N 1 2 246.354 2.867 20 0 BFADLO Cc1nc(N2CC[C@H]3C[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000664526197 411977760 /nfs/dbraw/zinc/97/77/60/411977760.db2.gz TYXSLESMDWXPRZ-RYUDHWBXSA-N 1 2 243.354 2.510 20 0 BFADLO Nc1nc(NCC2=CCCC2)[nH+]c2ccccc12 ZINC000664541322 411980666 /nfs/dbraw/zinc/98/06/66/411980666.db2.gz CXIGTDADUHKHRK-UHFFFAOYSA-N 1 2 240.310 2.734 20 0 BFADLO Cc1cc[nH+]cc1Cc1nc(C2CCC2)no1 ZINC000664754338 412018556 /nfs/dbraw/zinc/01/85/56/412018556.db2.gz PJTMJXUTBDFZTK-UHFFFAOYSA-N 1 2 229.283 2.631 20 0 BFADLO FC(F)(F)C[C@H]1C[N@@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662232510 412032635 /nfs/dbraw/zinc/03/26/35/412032635.db2.gz YNCWHXYYEJJDTB-MNOVXSKESA-N 1 2 249.276 2.748 20 0 BFADLO FC(F)(F)C[C@H]1C[N@H+]([C@@H]2C=CCCC2)CCO1 ZINC000662232510 412032638 /nfs/dbraw/zinc/03/26/38/412032638.db2.gz YNCWHXYYEJJDTB-MNOVXSKESA-N 1 2 249.276 2.748 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CC(C)(C)C)n1 ZINC000664979280 412055664 /nfs/dbraw/zinc/05/56/64/412055664.db2.gz DPBZBFQZQFPOKF-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1cnc(C[N@H+](C)CC2=CCSC2)s1 ZINC000662265362 412057716 /nfs/dbraw/zinc/05/77/16/412057716.db2.gz XWPIHMJWCDWCDX-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO Cc1cnc(C[N@@H+](C)CC2=CCSC2)s1 ZINC000662265362 412057720 /nfs/dbraw/zinc/05/77/20/412057720.db2.gz XWPIHMJWCDWCDX-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO CC[C@@H]1CCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121379712 171004489 /nfs/dbraw/zinc/00/44/89/171004489.db2.gz TUEPMUMWQONTHT-LLVKDONJSA-N 1 2 233.315 2.654 20 0 BFADLO CC[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000337022307 171016886 /nfs/dbraw/zinc/01/68/86/171016886.db2.gz SOLAGZYOXMVQKU-SNVBAGLBSA-N 1 2 247.317 2.949 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000125499679 171088186 /nfs/dbraw/zinc/08/81/86/171088186.db2.gz KTYZYXKLXYLRLL-CYBMUJFWSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000125499679 171088188 /nfs/dbraw/zinc/08/81/88/171088188.db2.gz KTYZYXKLXYLRLL-CYBMUJFWSA-N 1 2 241.281 2.576 20 0 BFADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H](C)O1 ZINC000301900411 171097407 /nfs/dbraw/zinc/09/74/07/171097407.db2.gz ZCFSYZYGNLBJEB-WDEREUQCSA-N 1 2 245.326 2.567 20 0 BFADLO CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCCO1 ZINC000336330389 171097448 /nfs/dbraw/zinc/09/74/48/171097448.db2.gz WHQPYNJRTXNKKX-LLVKDONJSA-N 1 2 245.326 2.568 20 0 BFADLO CC[C@@](C)([NH2+]CCCc1ccccc1)C(=O)OC ZINC000265405659 171174895 /nfs/dbraw/zinc/17/48/95/171174895.db2.gz BSJMXZPZLIUDDW-OAHLLOKOSA-N 1 2 249.354 2.551 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364581327 171258651 /nfs/dbraw/zinc/25/86/51/171258651.db2.gz PIFNFCGRAQHJEX-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364581327 171258652 /nfs/dbraw/zinc/25/86/52/171258652.db2.gz PIFNFCGRAQHJEX-NSHDSACASA-N 1 2 249.358 2.552 20 0 BFADLO CC[C@H](C)CCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000354762729 171267810 /nfs/dbraw/zinc/26/78/10/171267810.db2.gz BLPFTXDAKWBRFG-QWRGUYRKSA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@H](C)CN(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000340588243 171276233 /nfs/dbraw/zinc/27/62/33/171276233.db2.gz JXEYBQKSVYBOFO-VIFPVBQESA-N 1 2 232.331 2.749 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(OCCCO)cc1 ZINC000285581795 171287999 /nfs/dbraw/zinc/28/79/99/171287999.db2.gz VGLLBZOQDPGNTL-LBPRGKRZSA-N 1 2 237.343 2.906 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341494911 171362301 /nfs/dbraw/zinc/36/23/01/171362301.db2.gz YOCAOBUQFKXUPP-GXSJLCMTSA-N 1 2 233.359 2.931 20 0 BFADLO CC[C@H](C)[C@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000179828126 171387374 /nfs/dbraw/zinc/38/73/74/171387374.db2.gz ASWYAGJYWWJZSS-ONGXEEELSA-N 1 2 235.331 2.946 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@@H](C)c1nc(C)no1 ZINC000665239449 412181514 /nfs/dbraw/zinc/18/15/14/412181514.db2.gz CEDUILZZIZOQDV-JTQLQIEISA-N 1 2 249.314 2.863 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@@H](C)c1nc(C)no1 ZINC000665239449 412181516 /nfs/dbraw/zinc/18/15/16/412181516.db2.gz CEDUILZZIZOQDV-JTQLQIEISA-N 1 2 249.314 2.863 20 0 BFADLO CC[C@H]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266286636 171618169 /nfs/dbraw/zinc/61/81/69/171618169.db2.gz VPMIUEMVWZDODV-LBPRGKRZSA-N 1 2 219.332 2.802 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)s1 ZINC000184691130 171830151 /nfs/dbraw/zinc/83/01/51/171830151.db2.gz GEKBJHDGSQNATA-MRVPVSSYSA-N 1 2 249.326 2.589 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC(C)C ZINC000265026179 171924206 /nfs/dbraw/zinc/92/42/06/171924206.db2.gz SANZBUCSHVYBGV-UHFFFAOYSA-N 1 2 206.289 2.629 20 0 BFADLO CCc1nc([C@@H](C)[NH2+]Cc2ccno2)cs1 ZINC000273270170 172001974 /nfs/dbraw/zinc/00/19/74/172001974.db2.gz GKLXCHVKNWCQSU-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1[nH+]c2ccccc2n1CCCOC ZINC000040389391 172013976 /nfs/dbraw/zinc/01/39/76/172013976.db2.gz VNAPSABDLMGAMZ-UHFFFAOYSA-N 1 2 218.300 2.635 20 0 BFADLO CCc1ncc(CNc2cc[nH+]cc2F)s1 ZINC000277095834 172020007 /nfs/dbraw/zinc/02/00/07/172020007.db2.gz UQQKNGJBADDEGY-UHFFFAOYSA-N 1 2 237.303 2.852 20 0 BFADLO CCc1nnc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336707127 172050480 /nfs/dbraw/zinc/05/04/80/172050480.db2.gz KILMTEPVCRECSG-GFCCVEGCSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1nnc(C[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336707127 172050481 /nfs/dbraw/zinc/05/04/81/172050481.db2.gz KILMTEPVCRECSG-GFCCVEGCSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1nnc(C[NH2+][C@H](C)c2ccco2)s1 ZINC000273226930 172053046 /nfs/dbraw/zinc/05/30/46/172053046.db2.gz BTBHKHZRTGPLSA-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1noc(CC)c1CNc1cc[nH+]c(C)n1 ZINC000088742032 172083956 /nfs/dbraw/zinc/08/39/56/172083956.db2.gz MFCDSNHHZITNFY-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCc1noc([C@H](C)[N@@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336268869 172090568 /nfs/dbraw/zinc/09/05/68/172090568.db2.gz SPMWWNNHCOXUOW-JOYOIKCWSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@H](C)[N@H+]2CCC[C@@](C)(F)C2)n1 ZINC000336268869 172090570 /nfs/dbraw/zinc/09/05/70/172090570.db2.gz SPMWWNNHCOXUOW-JOYOIKCWSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1noc([C@H](c2ccccc2)[N@@H+](C)CC)n1 ZINC000285638298 172092361 /nfs/dbraw/zinc/09/23/61/172092361.db2.gz WMOHXQJDAUTRLD-ZDUSSCGKSA-N 1 2 245.326 2.673 20 0 BFADLO CCc1noc([C@H](c2ccccc2)[N@H+](C)CC)n1 ZINC000285638298 172092363 /nfs/dbraw/zinc/09/23/63/172092363.db2.gz WMOHXQJDAUTRLD-ZDUSSCGKSA-N 1 2 245.326 2.673 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1ncccc1C ZINC000293312544 172095875 /nfs/dbraw/zinc/09/58/75/172095875.db2.gz FMNTWCYFGVPJTD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1ncccc1C ZINC000293312544 172095877 /nfs/dbraw/zinc/09/58/77/172095877.db2.gz FMNTWCYFGVPJTD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCn1cccc1C[N@H+](C)Cc1nccs1 ZINC000353709790 172203164 /nfs/dbraw/zinc/20/31/64/172203164.db2.gz SFVXNQXEUVTVCT-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1cccc1C[N@@H+](C)Cc1nccs1 ZINC000353709790 172203168 /nfs/dbraw/zinc/20/31/68/172203168.db2.gz SFVXNQXEUVTVCT-UHFFFAOYSA-N 1 2 235.356 2.597 20 0 BFADLO CCn1ccnc1CNc1ccc([NH+](C)C)cc1 ZINC000051921544 172223366 /nfs/dbraw/zinc/22/33/66/172223366.db2.gz RNZSGYDKKGQYQF-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO CCn1cc[nH+]c1CNc1cccc(F)c1 ZINC000051920870 172225387 /nfs/dbraw/zinc/22/53/87/172225387.db2.gz OYFHKBKRLXCNAQ-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CCn1cncc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000013568422 172233581 /nfs/dbraw/zinc/23/35/81/172233581.db2.gz PAALIWVABFKUPT-LLVKDONJSA-N 1 2 233.315 2.689 20 0 BFADLO CCn1cncc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000013568422 172233583 /nfs/dbraw/zinc/23/35/83/172233583.db2.gz PAALIWVABFKUPT-LLVKDONJSA-N 1 2 233.315 2.689 20 0 BFADLO CCn1nccc1C[N@H+](C)Cc1ccccc1F ZINC000179607211 172263519 /nfs/dbraw/zinc/26/35/19/172263519.db2.gz GASSJJDQFOQRRJ-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO CCn1nccc1C[N@@H+](C)Cc1ccccc1F ZINC000179607211 172263523 /nfs/dbraw/zinc/26/35/23/172263523.db2.gz GASSJJDQFOQRRJ-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO COC1(C)C[NH+](C/C=C\c2ccc(F)cc2)C1 ZINC000362312935 173978935 /nfs/dbraw/zinc/97/89/35/173978935.db2.gz PAVKLFUGFIWHTJ-ARJAWSKDSA-N 1 2 235.302 2.560 20 0 BFADLO COCC(C)(C)[N@H+](C)Cc1csc(Cl)n1 ZINC000295176763 174079011 /nfs/dbraw/zinc/07/90/11/174079011.db2.gz HWDNEMCSAKDWGP-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCC(C)(C)[N@@H+](C)Cc1csc(Cl)n1 ZINC000295176763 174079016 /nfs/dbraw/zinc/07/90/16/174079016.db2.gz HWDNEMCSAKDWGP-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCCC(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000353267903 174149114 /nfs/dbraw/zinc/14/91/14/174149114.db2.gz QRDIPNBPLVXQKD-UHFFFAOYSA-N 1 2 235.331 2.581 20 0 BFADLO COCCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337392841 174178420 /nfs/dbraw/zinc/17/84/20/174178420.db2.gz IEAIVXSYRRFRRU-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO COCCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337392841 174178424 /nfs/dbraw/zinc/17/84/24/174178424.db2.gz IEAIVXSYRRFRRU-NSHDSACASA-N 1 2 235.318 2.923 20 0 BFADLO COCCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110382415 174184902 /nfs/dbraw/zinc/18/49/02/174184902.db2.gz JBYFMVWFGZPFJU-UHFFFAOYSA-N 1 2 235.331 2.583 20 0 BFADLO COCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337425336 174190273 /nfs/dbraw/zinc/19/02/73/174190273.db2.gz WNKFVHLVJRTJSQ-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO COCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337425336 174190274 /nfs/dbraw/zinc/19/02/74/174190274.db2.gz WNKFVHLVJRTJSQ-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO COCCCCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272864319 174205166 /nfs/dbraw/zinc/20/51/66/174205166.db2.gz MOAVKEPTUUDYTR-UHFFFAOYSA-N 1 2 249.358 2.502 20 0 BFADLO COCCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000089738522 174206903 /nfs/dbraw/zinc/20/69/03/174206903.db2.gz LVGIOSCGBMGCDD-UHFFFAOYSA-N 1 2 246.310 2.678 20 0 BFADLO COCCCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000267434933 174219700 /nfs/dbraw/zinc/21/97/00/174219700.db2.gz XQSCPQRAFXIVEC-UHFFFAOYSA-N 1 2 248.248 2.573 20 0 BFADLO COCCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000182492449 174264502 /nfs/dbraw/zinc/26/45/02/174264502.db2.gz XSFIDOMRYLDSHY-LBPRGKRZSA-N 1 2 236.359 2.980 20 0 BFADLO COCCC[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000182492449 174264503 /nfs/dbraw/zinc/26/45/03/174264503.db2.gz XSFIDOMRYLDSHY-LBPRGKRZSA-N 1 2 236.359 2.980 20 0 BFADLO COCC[N@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000356744180 174282766 /nfs/dbraw/zinc/28/27/66/174282766.db2.gz WIYNUHVGEBIPIT-JTQLQIEISA-N 1 2 240.347 2.611 20 0 BFADLO COCC[N@@H+](C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000356744180 174282767 /nfs/dbraw/zinc/28/27/67/174282767.db2.gz WIYNUHVGEBIPIT-JTQLQIEISA-N 1 2 240.347 2.611 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000045017397 174386033 /nfs/dbraw/zinc/38/60/33/174386033.db2.gz BUQWEQCBWCRRLL-SNVBAGLBSA-N 1 2 239.315 2.541 20 0 BFADLO COCC[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000045019923 174386571 /nfs/dbraw/zinc/38/65/71/174386571.db2.gz YLQFCZJLDXYOMZ-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(N(C)C)cc1C ZINC000045019923 174386573 /nfs/dbraw/zinc/38/65/73/174386573.db2.gz YLQFCZJLDXYOMZ-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO CO[C@H]1CCC[C@@H]1Sc1[nH+]cc2ccccn21 ZINC000273083308 174882202 /nfs/dbraw/zinc/88/22/02/174882202.db2.gz HDEJBVCGLABMMO-RYUDHWBXSA-N 1 2 248.351 2.994 20 0 BFADLO COc1cc2[nH]c(C(C)(C)C)[nH+]c2cc1OC ZINC000031943841 175027914 /nfs/dbraw/zinc/02/79/14/175027914.db2.gz WDHYMOMQIFPAAU-UHFFFAOYSA-N 1 2 234.299 2.878 20 0 BFADLO COc1ccc(-c2cccc(N)[nH+]2)cc1C ZINC000038069488 175035091 /nfs/dbraw/zinc/03/50/91/175035091.db2.gz YNMIVDOEERDOCE-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO COc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000091366487 175103358 /nfs/dbraw/zinc/10/33/58/175103358.db2.gz BKVNXEOEFIKMDE-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000091366487 175103360 /nfs/dbraw/zinc/10/33/60/175103360.db2.gz BKVNXEOEFIKMDE-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000069858812 175154070 /nfs/dbraw/zinc/15/40/70/175154070.db2.gz YELWZUSXKLAIMD-ZYHUDNBSSA-N 1 2 221.300 2.675 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2nccs2)c1 ZINC000175300099 175254408 /nfs/dbraw/zinc/25/44/08/175254408.db2.gz NFSXVAWCLPBCIX-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2nccs2)c1 ZINC000175300099 175254409 /nfs/dbraw/zinc/25/44/09/175254409.db2.gz NFSXVAWCLPBCIX-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1cccc([C@@H](C)Nc2cc[nH+]c(C)n2)c1 ZINC000266409107 175287694 /nfs/dbraw/zinc/28/76/94/175287694.db2.gz QHMHHXDOASBBKZ-SNVBAGLBSA-N 1 2 243.310 2.967 20 0 BFADLO COc1cccc2c(NCC(F)F)cc[nH+]c12 ZINC000302535059 175299906 /nfs/dbraw/zinc/29/99/06/175299906.db2.gz MFKYNLQZNNGRCE-UHFFFAOYSA-N 1 2 238.237 2.920 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000044296151 175351821 /nfs/dbraw/zinc/35/18/21/175351821.db2.gz OAKRIKLEPYROPQ-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000148752967 175352012 /nfs/dbraw/zinc/35/20/12/175352012.db2.gz QBQNJOPXHIVVPA-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccnc(C[N@H+](C)Cc2ccoc2C)c1 ZINC000106933748 175358682 /nfs/dbraw/zinc/35/86/82/175358682.db2.gz JXWBTCJTYRAGBV-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccnc(C[N@@H+](C)Cc2ccoc2C)c1 ZINC000106933748 175358684 /nfs/dbraw/zinc/35/86/84/175358684.db2.gz JXWBTCJTYRAGBV-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc[nH+]c(CN(C)Cc2ccoc2C)c1 ZINC000106933748 175358687 /nfs/dbraw/zinc/35/86/87/175358687.db2.gz JXWBTCJTYRAGBV-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc[nH+]cc1CS[C@H]1CCCOC1 ZINC000286614333 175373775 /nfs/dbraw/zinc/37/37/75/175373775.db2.gz UNTUCMRRCCUVCG-NSHDSACASA-N 1 2 239.340 2.502 20 0 BFADLO COc1cc[nH+]cc1COC(=O)CCC1CCC1 ZINC000286856214 175373869 /nfs/dbraw/zinc/37/38/69/175373869.db2.gz BPABQSDTILIYEF-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C(C)(C)C(C)C ZINC000275824434 175374290 /nfs/dbraw/zinc/37/42/90/175374290.db2.gz KNNFWYTYBBFMNN-UHFFFAOYSA-N 1 2 236.315 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCC1(C)C ZINC000274559213 175374814 /nfs/dbraw/zinc/37/48/14/175374814.db2.gz AEJFRRQREUQHCH-SNVBAGLBSA-N 1 2 248.326 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CC1CCCCC1 ZINC000299474044 175374932 /nfs/dbraw/zinc/37/49/32/175374932.db2.gz IAYFKZVMSYMRRQ-UHFFFAOYSA-N 1 2 248.326 2.999 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@]1(C)CC=CCC1 ZINC000336237931 175376306 /nfs/dbraw/zinc/37/63/06/175376306.db2.gz DGVSOBPWZLRWDI-CQSZACIVSA-N 1 2 246.310 2.775 20 0 BFADLO CSc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000036994468 175578170 /nfs/dbraw/zinc/57/81/70/175578170.db2.gz BSWFSGSSTRNFIB-JTQLQIEISA-N 1 2 247.367 2.982 20 0 BFADLO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)C1CC1 ZINC000280961564 176010222 /nfs/dbraw/zinc/01/02/22/176010222.db2.gz KCEABGKSQRRSLW-SECBINFHSA-N 1 2 246.335 2.794 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1nccn1C ZINC000299580590 176017571 /nfs/dbraw/zinc/01/75/71/176017571.db2.gz IWDWBIJUCMRPDX-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1nccn1C ZINC000299580590 176017575 /nfs/dbraw/zinc/01/75/75/176017575.db2.gz IWDWBIJUCMRPDX-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336254031 176037424 /nfs/dbraw/zinc/03/74/24/176037424.db2.gz IVRPUHZKMYLMQL-YUMQZZPRSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336254031 176037426 /nfs/dbraw/zinc/03/74/26/176037426.db2.gz IVRPUHZKMYLMQL-YUMQZZPRSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@@H]1CCC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283284506 176141490 /nfs/dbraw/zinc/14/14/90/176141490.db2.gz WNAQYNFBXRYSNM-LASXONHFSA-N 1 2 247.342 2.508 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301821399 176151687 /nfs/dbraw/zinc/15/16/87/176151687.db2.gz KAKQWTAPUYZTIZ-ZYHUDNBSSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301821399 176151689 /nfs/dbraw/zinc/15/16/89/176151689.db2.gz KAKQWTAPUYZTIZ-ZYHUDNBSSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CCN(c2cccc[nH+]2)C[C@@H](C)C1 ZINC000301778618 176181990 /nfs/dbraw/zinc/18/19/90/176181990.db2.gz QCOWYNGIJWAZPN-NEPJUHHUSA-N 1 2 204.317 2.954 20 0 BFADLO C[C@@H]1CCSCCN1c1cc[nH+]c(C2CC2)n1 ZINC000276915430 176194691 /nfs/dbraw/zinc/19/46/91/176194691.db2.gz XWDLABWMNAWRBA-SNVBAGLBSA-N 1 2 249.383 2.686 20 0 BFADLO C[C@@H]1CC[C@@H](OC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000274336225 176214960 /nfs/dbraw/zinc/21/49/60/176214960.db2.gz MYMLNVKQYFJWLM-ZYHUDNBSSA-N 1 2 244.294 2.680 20 0 BFADLO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2C(F)F)O1 ZINC000337411142 176224009 /nfs/dbraw/zinc/22/40/09/176224009.db2.gz OXMMRZSBDALBJA-MXWKQRLJSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2C(F)F)O1 ZINC000337411142 176224012 /nfs/dbraw/zinc/22/40/12/176224012.db2.gz OXMMRZSBDALBJA-MXWKQRLJSA-N 1 2 233.302 2.674 20 0 BFADLO C[C@@H]1CC[C@H](Sc2[nH+]cnc3c2cnn3C)C1 ZINC000272373309 176235853 /nfs/dbraw/zinc/23/58/53/176235853.db2.gz CFXKNGMHCPGNLF-BDAKNGLRSA-N 1 2 248.355 2.644 20 0 BFADLO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CCS1 ZINC000268655397 176280544 /nfs/dbraw/zinc/28/05/44/176280544.db2.gz KSPPUBYBSRTWML-UDGZVJEDSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CCS1 ZINC000268655397 176280546 /nfs/dbraw/zinc/28/05/46/176280546.db2.gz KSPPUBYBSRTWML-UDGZVJEDSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1C[NH+](Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000335709736 176302566 /nfs/dbraw/zinc/30/25/66/176302566.db2.gz NENHBZWAIJUSIZ-RKDXNWHRSA-N 1 2 229.707 2.542 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000251798477 176317578 /nfs/dbraw/zinc/31/75/78/176317578.db2.gz NVGAAXDDHBGDSZ-GHMZBOCLSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+]1CCO[C@H](C)C1 ZINC000251798477 176317580 /nfs/dbraw/zinc/31/75/80/176317580.db2.gz NVGAAXDDHBGDSZ-GHMZBOCLSA-N 1 2 223.291 2.607 20 0 BFADLO C[C@@H]1CN(c2cccc[nH+]2)Cc2ccccc2O1 ZINC000292439282 176319832 /nfs/dbraw/zinc/31/98/32/176319832.db2.gz YFXKJSZZMCZQTB-GFCCVEGCSA-N 1 2 240.306 2.869 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C(C)(C)C1 ZINC000267097138 176320353 /nfs/dbraw/zinc/32/03/53/176320353.db2.gz VZRKKEBZGFCUFG-JTQLQIEISA-N 1 2 231.343 2.979 20 0 BFADLO Cc1sccc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000668842742 487636590 /nfs/dbraw/zinc/63/65/90/487636590.db2.gz OLVGLEDAQJEQKT-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1sccc1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000668842742 487636593 /nfs/dbraw/zinc/63/65/93/487636593.db2.gz OLVGLEDAQJEQKT-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccon1 ZINC000077285069 177037915 /nfs/dbraw/zinc/03/79/15/177037915.db2.gz JGBZEWYXLKRAOT-SNVBAGLBSA-N 1 2 232.283 2.573 20 0 BFADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccon1 ZINC000077285069 177037916 /nfs/dbraw/zinc/03/79/16/177037916.db2.gz JGBZEWYXLKRAOT-SNVBAGLBSA-N 1 2 232.283 2.573 20 0 BFADLO C[C@H](c1nncn1C)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000287593354 177053769 /nfs/dbraw/zinc/05/37/69/177053769.db2.gz CWOKOYRTEGBTCO-LLVKDONJSA-N 1 2 248.374 2.554 20 0 BFADLO C[C@H](c1nncn1C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000287593354 177053772 /nfs/dbraw/zinc/05/37/72/177053772.db2.gz CWOKOYRTEGBTCO-LLVKDONJSA-N 1 2 248.374 2.554 20 0 BFADLO C[C@H]1CCCC[C@@H]1CNc1ccc(CO)c[nH+]1 ZINC000340576452 177080895 /nfs/dbraw/zinc/08/08/95/177080895.db2.gz HVKCHRVKXWXYEX-WCQYABFASA-N 1 2 234.343 2.812 20 0 BFADLO C[C@H]1CC[N@H+](CC2CCC(=O)CC2)CC1(F)F ZINC000336263941 177158047 /nfs/dbraw/zinc/15/80/47/177158047.db2.gz KSCJOVFVYJNJDC-JTQLQIEISA-N 1 2 245.313 2.723 20 0 BFADLO C[C@H]1CC[N@@H+](CC2CCC(=O)CC2)CC1(F)F ZINC000336263941 177158048 /nfs/dbraw/zinc/15/80/48/177158048.db2.gz KSCJOVFVYJNJDC-JTQLQIEISA-N 1 2 245.313 2.723 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000301836198 177171221 /nfs/dbraw/zinc/17/12/21/177171221.db2.gz VCSMBFYJVSWIEC-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1cc(NCC2CC2)nc[nH+]1 ZINC000301836198 177171222 /nfs/dbraw/zinc/17/12/22/177171222.db2.gz VCSMBFYJVSWIEC-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1CC[C@@H](CC(=O)Nc2cc[nH+]cc2O)C1 ZINC000133686122 177188336 /nfs/dbraw/zinc/18/83/36/177188336.db2.gz RSAHLLCQJYBVLS-VHSXEESVSA-N 1 2 234.299 2.552 20 0 BFADLO C[C@H]1CC[C@H](C[N@H+](CC(F)F)CC2CCC2)O1 ZINC000354700183 177200882 /nfs/dbraw/zinc/20/08/82/177200882.db2.gz DQNJFGKYFQLBRK-CMPLNLGQSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[C@H](C[N@@H+](CC(F)F)CC2CCC2)O1 ZINC000354700183 177200884 /nfs/dbraw/zinc/20/08/84/177200884.db2.gz DQNJFGKYFQLBRK-CMPLNLGQSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@H]1CC[C@H](CNc2cc[nH+]c3ccncc23)C1 ZINC000360100628 177201885 /nfs/dbraw/zinc/20/18/85/177201885.db2.gz FMIYUSVJKFKHGU-RYUDHWBXSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@H]1C[N@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000191949095 177270165 /nfs/dbraw/zinc/27/01/65/177270165.db2.gz HYZRXKSCGYPXBP-FZMZJTMJSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000191949095 177270167 /nfs/dbraw/zinc/27/01/67/177270167.db2.gz HYZRXKSCGYPXBP-FZMZJTMJSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000091810489 177292027 /nfs/dbraw/zinc/29/20/27/177292027.db2.gz VLECTBPFACTUAL-NTZNESFSSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000091810489 177292029 /nfs/dbraw/zinc/29/20/29/177292029.db2.gz VLECTBPFACTUAL-NTZNESFSSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)[C@@H](C)CO1 ZINC000247962182 177302270 /nfs/dbraw/zinc/30/22/70/177302270.db2.gz PCWFNPDPVCFVDE-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)[C@@H](C)CO1 ZINC000247962182 177302271 /nfs/dbraw/zinc/30/22/71/177302271.db2.gz PCWFNPDPVCFVDE-VHSXEESVSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1cc[nH+]c2ccncc21 ZINC000336363871 177319750 /nfs/dbraw/zinc/31/97/50/177319750.db2.gz YBSZZQGCIGNNQG-WDEREUQCSA-N 1 2 227.311 2.865 20 0 BFADLO C[C@H]1C[C@H](CNc2cc[nH+]c(C3CC3)n2)CCO1 ZINC000271417175 177363585 /nfs/dbraw/zinc/36/35/85/177363585.db2.gz ULGHKMUHLAPVCM-WDEREUQCSA-N 1 2 247.342 2.581 20 0 BFADLO CC(C)[C@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000079374063 487638994 /nfs/dbraw/zinc/63/89/94/487638994.db2.gz BHKCXTDMBKYZIX-AWEZNQCLSA-N 1 2 248.370 2.836 20 0 BFADLO C[C@]1(c2ccccc2)CC[N@H+](CC(F)F)C1 ZINC000674870352 487639692 /nfs/dbraw/zinc/63/96/92/487639692.db2.gz SSJPRPSALQDWAY-ZDUSSCGKSA-N 1 2 225.282 2.915 20 0 BFADLO C[C@]1(c2ccccc2)CC[N@@H+](CC(F)F)C1 ZINC000674870352 487639698 /nfs/dbraw/zinc/63/96/98/487639698.db2.gz SSJPRPSALQDWAY-ZDUSSCGKSA-N 1 2 225.282 2.915 20 0 BFADLO C[C@@H]1C[C@@H]1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000488442521 225398359 /nfs/dbraw/zinc/39/83/59/225398359.db2.gz NERNKFRZOYRSNG-CHWSQXEVSA-N 1 2 245.370 2.562 20 0 BFADLO Cc1cc(C)cc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492913556 226082725 /nfs/dbraw/zinc/08/27/25/226082725.db2.gz QTQSYMDYQNBIEL-ONEGZZNKSA-N 1 2 241.294 2.678 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)N1CCCCCCCC1 ZINC000493163404 226142898 /nfs/dbraw/zinc/14/28/98/226142898.db2.gz VONLWNMEPKXPCU-BQYQJAHWSA-N 1 2 247.342 2.606 20 0 BFADLO Cc1nc(N[C@H](C)CCCC(F)(F)F)cc[nH+]1 ZINC000493475252 226227126 /nfs/dbraw/zinc/22/71/26/226227126.db2.gz ZKMBXDNOVFEYMZ-MRVPVSSYSA-N 1 2 247.264 2.740 20 0 BFADLO COCCCCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211393 226262211 /nfs/dbraw/zinc/26/22/11/226262211.db2.gz GEVSWQQAYXXNIZ-NSHDSACASA-N 1 2 235.318 2.780 20 0 BFADLO COCCCCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494211393 226262212 /nfs/dbraw/zinc/26/22/12/226262212.db2.gz GEVSWQQAYXXNIZ-NSHDSACASA-N 1 2 235.318 2.780 20 0 BFADLO C[C@H](F)CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000505508202 226356094 /nfs/dbraw/zinc/35/60/94/226356094.db2.gz VVDRLRLSSNMRLT-NSHDSACASA-N 1 2 234.274 2.999 20 0 BFADLO COc1cccc([C@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000228505585 487667503 /nfs/dbraw/zinc/66/75/03/487667503.db2.gz UFSQHUHHDGSUGX-IUCAKERBSA-N 1 2 229.270 2.999 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)C(F)F)s1 ZINC000228511643 487668487 /nfs/dbraw/zinc/66/84/87/487668487.db2.gz AMJGGRZFVRAHOU-ZETCQYMHSA-N 1 2 205.273 2.800 20 0 BFADLO COC1C[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000459588170 229143356 /nfs/dbraw/zinc/14/33/56/229143356.db2.gz WAZQDGMAYIZLSZ-UHFFFAOYSA-N 1 2 243.306 2.777 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000097039965 487688265 /nfs/dbraw/zinc/68/82/65/487688265.db2.gz YYEMLWYSENCWTG-RDDDGLTNSA-N 1 2 218.300 2.601 20 0 BFADLO Cc1cnc(C)c(NCc2c[nH+]c(C)cc2C)n1 ZINC000396991355 262830461 /nfs/dbraw/zinc/83/04/61/262830461.db2.gz UVILZNOQTMJUEE-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO COc1ccc[nH+]c1NCCCc1ccccn1 ZINC000527935318 262897135 /nfs/dbraw/zinc/89/71/35/262897135.db2.gz VPVPYPQVFKCIEO-UHFFFAOYSA-N 1 2 243.310 2.530 20 0 BFADLO CCC[C@@H]1C[N@H+](C/C=C(\C)Cl)CCO1 ZINC000528426845 262946419 /nfs/dbraw/zinc/94/64/19/262946419.db2.gz UKHPLKDLBHEMFW-IGLBNKAOSA-N 1 2 217.740 2.630 20 0 BFADLO CCC[C@@H]1C[N@@H+](C/C=C(\C)Cl)CCO1 ZINC000528426845 262946421 /nfs/dbraw/zinc/94/64/21/262946421.db2.gz UKHPLKDLBHEMFW-IGLBNKAOSA-N 1 2 217.740 2.630 20 0 BFADLO CC(C)=CC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714128 487704259 /nfs/dbraw/zinc/70/42/59/487704259.db2.gz NHLGUABIGOVYHK-VHSXEESVSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671714128 487704265 /nfs/dbraw/zinc/70/42/65/487704265.db2.gz NHLGUABIGOVYHK-VHSXEESVSA-N 1 2 237.265 2.604 20 0 BFADLO CCc1cc(N[C@H](C)[C@@](C)(OC)C2CC2)nc[nH+]1 ZINC000665745789 487747362 /nfs/dbraw/zinc/74/73/62/487747362.db2.gz KCANAQQDFCQDEH-QMTHXVAHSA-N 1 2 249.358 2.655 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ncc(Cl)s2)o1 ZINC000223038501 487749878 /nfs/dbraw/zinc/74/98/78/487749878.db2.gz YFNIAXWYUYNRKK-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO COc1ccc(N[C@H](C)[C@H]2CC2(F)F)[nH+]c1 ZINC000665749099 487754838 /nfs/dbraw/zinc/75/48/38/487754838.db2.gz YIYDGUSESWHROP-VXNVDRBHSA-N 1 2 228.242 2.546 20 0 BFADLO COC1CC(Nc2c[nH+]cc3c2CCCC3)C1 ZINC000668439491 487758061 /nfs/dbraw/zinc/75/80/61/487758061.db2.gz AFXUYSHADRKMFA-UHFFFAOYSA-N 1 2 232.327 2.550 20 0 BFADLO Cc1c(N[C@H](C)c2ccc(C)[nH+]c2C)cnn1C ZINC000679089477 487757733 /nfs/dbraw/zinc/75/77/33/487757733.db2.gz KVENLPUBYKXPDF-LLVKDONJSA-N 1 2 244.342 2.913 20 0 BFADLO c1[nH+]cc(N[C@H]2CCSC2)c2c1CCCC2 ZINC000668441436 487759848 /nfs/dbraw/zinc/75/98/48/487759848.db2.gz ULZNYCOHNJWNLV-NSHDSACASA-N 1 2 234.368 2.878 20 0 BFADLO Cc1ccc(N[C@H]2CO[C@H](C3CC3)C2)c(C)[nH+]1 ZINC000667912917 487760419 /nfs/dbraw/zinc/76/04/19/487760419.db2.gz RAWFEWYLBGDGIO-OCCSQVGLSA-N 1 2 232.327 2.678 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCF ZINC000759326037 585367499 /nfs/dbraw/zinc/36/74/99/585367499.db2.gz CVQROQJXVLSAJO-MRVPVSSYSA-N 1 2 217.234 2.927 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCF ZINC000759326037 585367500 /nfs/dbraw/zinc/36/75/00/585367500.db2.gz CVQROQJXVLSAJO-MRVPVSSYSA-N 1 2 217.234 2.927 20 0 BFADLO CC(C)[C@H](C)[N@H+](C)Cc1nnsc1Cl ZINC000035249202 487786685 /nfs/dbraw/zinc/78/66/85/487786685.db2.gz YGXVKFSXOFQJLG-ZETCQYMHSA-N 1 2 233.768 2.668 20 0 BFADLO CC(C)[C@H](C)[N@@H+](C)Cc1nnsc1Cl ZINC000035249202 487786691 /nfs/dbraw/zinc/78/66/91/487786691.db2.gz YGXVKFSXOFQJLG-ZETCQYMHSA-N 1 2 233.768 2.668 20 0 BFADLO CC(C)[C@@H](C)[N@H+](C)Cc1nnsc1Cl ZINC000035249201 487786773 /nfs/dbraw/zinc/78/67/73/487786773.db2.gz YGXVKFSXOFQJLG-SSDOTTSWSA-N 1 2 233.768 2.668 20 0 BFADLO CC(C)[C@@H](C)[N@@H+](C)Cc1nnsc1Cl ZINC000035249201 487786778 /nfs/dbraw/zinc/78/67/78/487786778.db2.gz YGXVKFSXOFQJLG-SSDOTTSWSA-N 1 2 233.768 2.668 20 0 BFADLO Cc1ccc2c(c1)C[N@@H+](Cc1cocn1)CC2 ZINC000668479530 487808592 /nfs/dbraw/zinc/80/85/92/487808592.db2.gz QHLVRVBHVBQXAZ-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc2c(c1)C[N@H+](Cc1cocn1)CC2 ZINC000668479530 487808596 /nfs/dbraw/zinc/80/85/96/487808596.db2.gz QHLVRVBHVBQXAZ-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CCc1ncc(CNc2ccc(OC)c[nH+]2)s1 ZINC000676201227 487819523 /nfs/dbraw/zinc/81/95/23/487819523.db2.gz MKNQSIFAZGXEAM-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO CCC(C)(C)[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000666492777 487820573 /nfs/dbraw/zinc/82/05/73/487820573.db2.gz LMTDZJCBFBRWBM-NSHDSACASA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@H](C)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000666495958 487821821 /nfs/dbraw/zinc/82/18/21/487821821.db2.gz GPWLYYLCJLVAOP-JTQLQIEISA-N 1 2 249.358 2.678 20 0 BFADLO COc1ccc(C[NH+]2CC(C(F)F)C2)cc1F ZINC000676222600 487823623 /nfs/dbraw/zinc/82/36/23/487823623.db2.gz RNTKSXHTUPQZKI-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000671768265 487868986 /nfs/dbraw/zinc/86/89/86/487868986.db2.gz XRZQBJUQSSRNTJ-ZETCQYMHSA-N 1 2 247.264 2.711 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2c(C)noc2C)no1 ZINC000671111818 487875627 /nfs/dbraw/zinc/87/56/27/487875627.db2.gz RCUWHBLOYFSBGX-DTWKUNHWSA-N 1 2 249.314 3.000 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2c(C)noc2C)no1 ZINC000671111819 487875780 /nfs/dbraw/zinc/87/57/80/487875780.db2.gz RCUWHBLOYFSBGX-IUCAKERBSA-N 1 2 249.314 3.000 20 0 BFADLO FC1(CNc2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000666790384 487879384 /nfs/dbraw/zinc/87/93/84/487879384.db2.gz FKKQKNVAEQMIPN-UHFFFAOYSA-N 1 2 220.291 2.959 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@@H+]1CCC1CCCCC1 ZINC000682032553 487885238 /nfs/dbraw/zinc/88/52/38/487885238.db2.gz HJOBXAGIPOWGCD-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO OC[C@H]1CC(F)(F)C[N@H+]1CCC1CCCCC1 ZINC000682032553 487885241 /nfs/dbraw/zinc/88/52/41/487885241.db2.gz HJOBXAGIPOWGCD-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO c1csc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000676715569 487903982 /nfs/dbraw/zinc/90/39/82/487903982.db2.gz BITQNAIKLFNYGD-JTQLQIEISA-N 1 2 248.355 2.593 20 0 BFADLO CC(C)C(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000682201840 487926211 /nfs/dbraw/zinc/92/62/11/487926211.db2.gz BCXWSFIGHSZTHJ-UHFFFAOYSA-N 1 2 245.326 2.955 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)[C@H]1CCC1(C)C ZINC000667000815 487926390 /nfs/dbraw/zinc/92/63/90/487926390.db2.gz PTCVLNRKJNBQMS-SNVBAGLBSA-N 1 2 247.342 2.522 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccncc1C ZINC000651980054 487942734 /nfs/dbraw/zinc/94/27/34/487942734.db2.gz YJMFVBNYPZXHSJ-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000684615778 487945666 /nfs/dbraw/zinc/94/56/66/487945666.db2.gz BLLJPAHPSBQKAC-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000684615778 487945671 /nfs/dbraw/zinc/94/56/71/487945671.db2.gz BLLJPAHPSBQKAC-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1c[nH]cn1 ZINC000684615778 487945675 /nfs/dbraw/zinc/94/56/75/487945675.db2.gz BLLJPAHPSBQKAC-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1c[nH]cn1 ZINC000684615778 487945678 /nfs/dbraw/zinc/94/56/78/487945678.db2.gz BLLJPAHPSBQKAC-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO Cc1cccc(CCSCCC2(O)CC2)[nH+]1 ZINC000569605282 322972422 /nfs/dbraw/zinc/97/24/22/322972422.db2.gz JRSQATXAZVCDJT-UHFFFAOYSA-N 1 2 237.368 2.581 20 0 BFADLO CN(C)c1ccc(NCc2cccc(F)c2)[nH+]c1 ZINC000150915416 323002877 /nfs/dbraw/zinc/00/28/77/323002877.db2.gz PBNHRIWMVBKIPJ-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO CCc1nc(C)c(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000562535480 323023303 /nfs/dbraw/zinc/02/33/03/323023303.db2.gz IKZZVTWXXPNSPL-UHFFFAOYSA-N 1 2 248.248 2.540 20 0 BFADLO CCC[N@H+](CCc1cccc(C)n1)CC(F)F ZINC000570275943 323054587 /nfs/dbraw/zinc/05/45/87/323054587.db2.gz RKRISBNYHZRWLN-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO CCC[N@@H+](CCc1cccc(C)n1)CC(F)F ZINC000570275943 323054588 /nfs/dbraw/zinc/05/45/88/323054588.db2.gz RKRISBNYHZRWLN-UHFFFAOYSA-N 1 2 242.313 2.910 20 0 BFADLO c1coc(-c2ncc(CNc3c[nH]c[nH+]3)s2)c1 ZINC000570893006 323073428 /nfs/dbraw/zinc/07/34/28/323073428.db2.gz LJOUZLWIRSXVJD-UHFFFAOYSA-N 1 2 246.295 2.738 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1CCCCC1 ZINC000053607050 323077356 /nfs/dbraw/zinc/07/73/56/323077356.db2.gz PJUZBCWJMGUKIX-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)CC1CCCCC1 ZINC000053607050 323077357 /nfs/dbraw/zinc/07/73/57/323077357.db2.gz PJUZBCWJMGUKIX-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCCN(C(=O)Nc1cc(C)[nH+]cc1C)C1CC1 ZINC000540527022 323085333 /nfs/dbraw/zinc/08/53/33/323085333.db2.gz TYTLJNVIFSHJNP-UHFFFAOYSA-N 1 2 247.342 2.527 20 0 BFADLO COc1ccc[nH+]c1N[C@@H](C)Cc1ccoc1 ZINC000571032024 323104087 /nfs/dbraw/zinc/10/40/87/323104087.db2.gz GOBMUECJMUTYGA-JTQLQIEISA-N 1 2 232.283 2.726 20 0 BFADLO CCc1cnc(C[NH+]2CCC(C(F)F)CC2)o1 ZINC000531726535 323111480 /nfs/dbraw/zinc/11/14/80/323111480.db2.gz CYQMRFLIYGFHHR-UHFFFAOYSA-N 1 2 244.285 2.714 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)o1 ZINC000047959499 323112724 /nfs/dbraw/zinc/11/27/24/323112724.db2.gz MBNRLYQIUBRYOH-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)o1 ZINC000047959499 323112725 /nfs/dbraw/zinc/11/27/25/323112725.db2.gz MBNRLYQIUBRYOH-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO CCCC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000534299269 323115827 /nfs/dbraw/zinc/11/58/27/323115827.db2.gz JSBMGTKSPNHHRZ-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO COc1ccc[nH+]c1NC[C@H]1CC=CCC1 ZINC000309886369 323119598 /nfs/dbraw/zinc/11/95/98/323119598.db2.gz YNSKECKFSVBGPH-NSHDSACASA-N 1 2 218.300 2.858 20 0 BFADLO C[C@H]1C[N@H+](C/C=C\c2ccccc2)CCC1=O ZINC000310028992 323127454 /nfs/dbraw/zinc/12/74/54/323127454.db2.gz YHYPNVCKHGOGHT-UJZCVKTISA-N 1 2 229.323 2.611 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C\c2ccccc2)CCC1=O ZINC000310028992 323127455 /nfs/dbraw/zinc/12/74/55/323127455.db2.gz YHYPNVCKHGOGHT-UJZCVKTISA-N 1 2 229.323 2.611 20 0 BFADLO Cc1cc(NC(=O)N2CCCC[C@@H]2C)c(C)c[nH+]1 ZINC000535059923 323164843 /nfs/dbraw/zinc/16/48/43/323164843.db2.gz TVDVSTPNQBIQQP-LBPRGKRZSA-N 1 2 247.342 2.527 20 0 BFADLO CCc1cnc(C[N@@H+](CC)Cc2ccccn2)o1 ZINC000532072605 323171665 /nfs/dbraw/zinc/17/16/65/323171665.db2.gz HMTROZVCGBWEKZ-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1cnc(C[N@H+](CC)Cc2ccccn2)o1 ZINC000532072605 323171666 /nfs/dbraw/zinc/17/16/66/323171666.db2.gz HMTROZVCGBWEKZ-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000308967708 323182802 /nfs/dbraw/zinc/18/28/02/323182802.db2.gz WZRABNRBLZKMGF-OPRDCNLKSA-N 1 2 206.289 2.547 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCC[C@@H](F)C2)cc[nH+]1 ZINC000563885822 323183263 /nfs/dbraw/zinc/18/32/63/323183263.db2.gz XPOGOVLYKGXKOX-GHMZBOCLSA-N 1 2 237.322 2.715 20 0 BFADLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccncc2)o1 ZINC000535667675 323188227 /nfs/dbraw/zinc/18/82/27/323188227.db2.gz NLASZSUDYHQCNY-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccncc2)o1 ZINC000535667675 323188228 /nfs/dbraw/zinc/18/82/28/323188228.db2.gz NLASZSUDYHQCNY-LLVKDONJSA-N 1 2 245.326 2.825 20 0 BFADLO CCc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000571928412 323504588 /nfs/dbraw/zinc/50/45/88/323504588.db2.gz GKGKKSFNIYTNHR-UHFFFAOYSA-N 1 2 213.271 2.994 20 0 BFADLO CCOCCN(C)c1[nH+]ccc2ccccc21 ZINC000527945878 323723760 /nfs/dbraw/zinc/72/37/60/323723760.db2.gz MIDZRPAKEYDAEU-UHFFFAOYSA-N 1 2 230.311 2.708 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCCC1CC1 ZINC000121252227 324007855 /nfs/dbraw/zinc/00/78/55/324007855.db2.gz PMVPNTFBHROUDD-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO Cc1cc(NC[C@@]2(C)CCCO2)nc(C2CC2)[nH+]1 ZINC000152559472 324183842 /nfs/dbraw/zinc/18/38/42/324183842.db2.gz YSJLSQDVKWFHFJ-CQSZACIVSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cocc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000529465622 324306705 /nfs/dbraw/zinc/30/67/05/324306705.db2.gz GIIACKYBUDYTKV-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO FCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000529559776 324342397 /nfs/dbraw/zinc/34/23/97/324342397.db2.gz ZBVOXFUHKJOLLJ-UHFFFAOYSA-N 1 2 223.625 2.677 20 0 BFADLO CCC1(C)C[NH+](Cc2ccncc2Cl)C1 ZINC000529607558 324362531 /nfs/dbraw/zinc/36/25/31/324362531.db2.gz HGJYFNHVWBPCPU-UHFFFAOYSA-N 1 2 224.735 2.967 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2cccc(O)c2)C1 ZINC000529641783 324369502 /nfs/dbraw/zinc/36/95/02/324369502.db2.gz QPKRQJDTTMHLNA-UHFFFAOYSA-N 1 2 249.354 2.782 20 0 BFADLO Cc1ccc(NC(=O)N2CC(C(C)C)C2)c(C)[nH+]1 ZINC000677078163 487963928 /nfs/dbraw/zinc/96/39/28/487963928.db2.gz SVRSRDHCCIPQIR-UHFFFAOYSA-N 1 2 247.342 2.818 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2cscn2)on1 ZINC000127869895 324792577 /nfs/dbraw/zinc/79/25/77/324792577.db2.gz FWERWVWJRKFKSL-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CC1(CNc2ccc(-c3cncnc3)c[nH+]2)CC1 ZINC000543066500 325069836 /nfs/dbraw/zinc/06/98/36/325069836.db2.gz IEJYEHOBJAIFKZ-UHFFFAOYSA-N 1 2 240.310 2.751 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2c(C)cccc2C)o1 ZINC000543540935 325093225 /nfs/dbraw/zinc/09/32/25/325093225.db2.gz MAXYRBQTXWDCHK-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO C[C@H](CCc1ccccc1)C[NH+]1CC(F)C1 ZINC000544368941 325139958 /nfs/dbraw/zinc/13/99/58/325139958.db2.gz CQBCAHYQQUAUMT-GFCCVEGCSA-N 1 2 221.319 2.909 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)C1CC1 ZINC000132315671 325210777 /nfs/dbraw/zinc/21/07/77/325210777.db2.gz NVTBYEGMUMQBJP-UHFFFAOYSA-N 1 2 234.299 2.607 20 0 BFADLO CCC[N@H+](CCc1ccncc1)CC(F)F ZINC000133403323 325292910 /nfs/dbraw/zinc/29/29/10/325292910.db2.gz PDKBNTKRQPFEMS-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC[N@@H+](CCc1ccncc1)CC(F)F ZINC000133403323 325292912 /nfs/dbraw/zinc/29/29/12/325292912.db2.gz PDKBNTKRQPFEMS-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC2(C)C)c(C)c[nH+]1 ZINC000547540632 325371478 /nfs/dbraw/zinc/37/14/78/325371478.db2.gz NUKDALYIQJYXPS-GFCCVEGCSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000077675876 325387929 /nfs/dbraw/zinc/38/79/29/325387929.db2.gz QUYUSGQDFBGVLS-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000077675876 325387931 /nfs/dbraw/zinc/38/79/31/325387931.db2.gz QUYUSGQDFBGVLS-JTQLQIEISA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(NC(=O)NC(C)(C)C(C)C)c(C)c[nH+]1 ZINC000551991820 325580910 /nfs/dbraw/zinc/58/09/10/325580910.db2.gz GHULUDHABNIRMV-UHFFFAOYSA-N 1 2 249.358 2.676 20 0 BFADLO Fc1cccc(F)c1CCCn1cc[nH+]c1 ZINC000653572734 487968629 /nfs/dbraw/zinc/96/86/29/487968629.db2.gz XNHCLPSNCMOKSS-UHFFFAOYSA-N 1 2 222.238 2.794 20 0 BFADLO CC(C)c1nc(N(C)[C@H](C)C2CC2)cc[nH+]1 ZINC000554516904 325723591 /nfs/dbraw/zinc/72/35/91/325723591.db2.gz FZDIYVHEAZONCC-SNVBAGLBSA-N 1 2 219.332 2.835 20 0 BFADLO C[C@H](CC(=O)NC(C)(C)C1CCC1)n1cc[nH+]c1 ZINC000565052444 325851535 /nfs/dbraw/zinc/85/15/35/325851535.db2.gz PQROZNCKLWVJTO-LLVKDONJSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](CC(=O)N[C@@H]1CCCC1(C)C)n1cc[nH+]c1 ZINC000565049213 325851932 /nfs/dbraw/zinc/85/19/32/325851932.db2.gz ZEOXYYPLKZDNGU-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000565243239 325885756 /nfs/dbraw/zinc/88/57/56/325885756.db2.gz BQRBELOCERVXDM-NXEZZACHSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@H](F)C2)[nH+]1 ZINC000565654936 325938712 /nfs/dbraw/zinc/93/87/12/325938712.db2.gz NJDBHZSQNFGAFH-UWVGGRQHSA-N 1 2 248.305 2.959 20 0 BFADLO Cc1nsc(C)c1C[NH2+][C@H](C)c1ccon1 ZINC000566415411 326042207 /nfs/dbraw/zinc/04/22/07/326042207.db2.gz FDFJKBPZGOBMCL-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO CCC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCCCC1 ZINC000566471218 326052626 /nfs/dbraw/zinc/05/26/26/326052626.db2.gz UJTHQOZEWUCLQD-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCOC2(CCC2)C1 ZINC000566571542 326065220 /nfs/dbraw/zinc/06/52/20/326065220.db2.gz FCGLSPFURXESSS-GFCCVEGCSA-N 1 2 247.342 2.607 20 0 BFADLO COCCC1(C(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000154092567 326130461 /nfs/dbraw/zinc/13/04/61/326130461.db2.gz MZEGFGIEEADWGG-UHFFFAOYSA-N 1 2 248.326 2.535 20 0 BFADLO CCn1c2ccc(F)cc2[nH]c1=[NH+]CC1(C)CC1 ZINC000567341561 326167137 /nfs/dbraw/zinc/16/71/37/326167137.db2.gz NKZIDESHWZKFIT-UHFFFAOYSA-N 1 2 247.317 2.829 20 0 BFADLO COCCSCCc1[nH+]cc(C)cc1C ZINC000567384196 326180659 /nfs/dbraw/zinc/18/06/59/326180659.db2.gz ZHZVBYBOXGCQQS-UHFFFAOYSA-N 1 2 225.357 2.621 20 0 BFADLO C[C@@H](NC(=O)c1ccccc1Cl)c1[nH]cc[nH+]1 ZINC000157210524 326262050 /nfs/dbraw/zinc/26/20/50/326262050.db2.gz LKMLNCYFNYGQQC-MRVPVSSYSA-N 1 2 249.701 2.554 20 0 BFADLO Cc1cc(F)c(C[NH2+]Cc2ccno2)c(F)c1 ZINC000567889011 326276985 /nfs/dbraw/zinc/27/69/85/326276985.db2.gz VRSVMBYWJBKFHI-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO CCc1ccc([C@@H]([NH2+]CC(=O)OC)C(C)C)cc1 ZINC000158567031 326328262 /nfs/dbraw/zinc/32/82/62/326328262.db2.gz KKBNKAIJHLTLAO-HNNXBMFYSA-N 1 2 249.354 2.709 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)C(F)(F)C1 ZINC000568250516 326335171 /nfs/dbraw/zinc/33/51/71/326335171.db2.gz SDZPQRURRQWYHS-SECBINFHSA-N 1 2 241.285 2.575 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@H+](Cc2cocn2)C1 ZINC000569023703 326387292 /nfs/dbraw/zinc/38/72/92/326387292.db2.gz VIRQBLNKZUOHGG-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@]1(c2ccccc2)CC[N@@H+](Cc2cocn2)C1 ZINC000569023703 326387293 /nfs/dbraw/zinc/38/72/93/326387293.db2.gz VIRQBLNKZUOHGG-CQSZACIVSA-N 1 2 246.285 2.745 20 0 BFADLO Cc1c[nH+]c(C)nc1NCC1(C2CC2)CCC1 ZINC000572617184 326401260 /nfs/dbraw/zinc/40/12/60/326401260.db2.gz UUFDAYDIGJQGEW-UHFFFAOYSA-N 1 2 231.343 2.508 20 0 BFADLO Cc1cccc(C)c1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000572973080 326422227 /nfs/dbraw/zinc/42/22/27/326422227.db2.gz MHFUPTRUCBPDQX-UHFFFAOYSA-N 1 2 246.354 2.584 20 0 BFADLO CC(C)(C)CCC[N@@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545452 487983685 /nfs/dbraw/zinc/98/36/85/487983685.db2.gz ZTZZKGLBXUCUKK-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1C[C@H](O)CC(F)(F)C1 ZINC000682545452 487983687 /nfs/dbraw/zinc/98/36/87/487983687.db2.gz ZTZZKGLBXUCUKK-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO FC(F)C[NH2+]Cc1cccc2cnccc21 ZINC000147332727 488003602 /nfs/dbraw/zinc/00/36/02/488003602.db2.gz UTXSLJHWZWKNQV-UHFFFAOYSA-N 1 2 222.238 2.590 20 0 BFADLO Cc1cc(NC(=O)C2CCC3(CC3)CC2)cc[nH+]1 ZINC000668636654 488034488 /nfs/dbraw/zinc/03/44/88/488034488.db2.gz WFJKPKGCMLJLIG-UHFFFAOYSA-N 1 2 244.338 2.721 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2csc(C)n2)c1 ZINC000682778115 488039233 /nfs/dbraw/zinc/03/92/33/488039233.db2.gz TZEFLXITNWDGRM-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2csc(C)n2)c1 ZINC000682778115 488039238 /nfs/dbraw/zinc/03/92/38/488039238.db2.gz TZEFLXITNWDGRM-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000680335240 488085818 /nfs/dbraw/zinc/08/58/18/488085818.db2.gz SHRDWMYDSHQEJC-KOLCDFICSA-N 1 2 242.363 2.885 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)s1 ZINC000680335240 488085822 /nfs/dbraw/zinc/08/58/22/488085822.db2.gz SHRDWMYDSHQEJC-KOLCDFICSA-N 1 2 242.363 2.885 20 0 BFADLO C[N@H+](CCSc1ccccc1)Cc1ncc[nH]1 ZINC000677801853 488124394 /nfs/dbraw/zinc/12/43/94/488124394.db2.gz KGHQVEGKMPKKNZ-UHFFFAOYSA-N 1 2 247.367 2.634 20 0 BFADLO C[N@@H+](CCSc1ccccc1)Cc1ncc[nH]1 ZINC000677801853 488124400 /nfs/dbraw/zinc/12/44/00/488124400.db2.gz KGHQVEGKMPKKNZ-UHFFFAOYSA-N 1 2 247.367 2.634 20 0 BFADLO Cc1cccc([C@H](C)[N@H+](C)Cc2ncc[nH]2)c1 ZINC000677802310 488125905 /nfs/dbraw/zinc/12/59/05/488125905.db2.gz PZCUJMWCZVAFDN-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000677802310 488125907 /nfs/dbraw/zinc/12/59/07/488125907.db2.gz PZCUJMWCZVAFDN-LBPRGKRZSA-N 1 2 229.327 2.911 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)c1nccc2sccc21 ZINC000683191220 488126294 /nfs/dbraw/zinc/12/62/94/488126294.db2.gz WYYRIESFDKWNQC-UHFFFAOYSA-N 1 2 244.323 2.656 20 0 BFADLO c1[nH]cc(NCc2ccccc2OCC2CC2)[nH+]1 ZINC000685845914 488127834 /nfs/dbraw/zinc/12/78/34/488127834.db2.gz UOHOUSPYVVEHIA-UHFFFAOYSA-N 1 2 243.310 2.811 20 0 BFADLO CCO[C@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000665730676 487541418 /nfs/dbraw/zinc/54/14/18/487541418.db2.gz ZLOKLKKUQFBZFD-PHIMTYICSA-N 1 2 249.358 2.754 20 0 BFADLO CC[C@H](C)CCCCC(=O)NCc1[nH]cc[nH+]1 ZINC000680196043 487546140 /nfs/dbraw/zinc/54/61/40/487546140.db2.gz KLHHSSBCGPYJNZ-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)no1 ZINC000668795586 487549026 /nfs/dbraw/zinc/54/90/26/487549026.db2.gz CPITWNVHYVPTLS-DGCLKSJQSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)no1 ZINC000668795586 487549032 /nfs/dbraw/zinc/54/90/32/487549032.db2.gz CPITWNVHYVPTLS-DGCLKSJQSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)c2c(C)noc2C)o1 ZINC000685571311 487552430 /nfs/dbraw/zinc/55/24/30/487552430.db2.gz BBNNGWSLYSDUOR-MRVPVSSYSA-N 1 2 249.314 2.747 20 0 BFADLO Clc1ccc(C[NH+]2CC3(CC3)C2)s1 ZINC000334743930 487553992 /nfs/dbraw/zinc/55/39/92/487553992.db2.gz YIBWJGAJWSINIM-UHFFFAOYSA-N 1 2 213.733 2.997 20 0 BFADLO C[C@@H]1OCC[C@]1(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000680066146 487531002 /nfs/dbraw/zinc/53/10/02/487531002.db2.gz NBUZKEXCUYVBDW-HZMBPMFUSA-N 1 2 249.358 2.754 20 0 BFADLO CCc1cc(N(C)C[C@@H]2CC=CCC2)nc[nH+]1 ZINC000680068163 487530850 /nfs/dbraw/zinc/53/08/50/487530850.db2.gz RYLXQNIKVMXICJ-GFCCVEGCSA-N 1 2 231.343 2.832 20 0 BFADLO CC(C)(C)c1nc(NCC[C@@H]2CCOC2)cc[nH+]1 ZINC000680072414 487531981 /nfs/dbraw/zinc/53/19/81/487531981.db2.gz OPCDKXYRAWMMRC-LLVKDONJSA-N 1 2 249.358 2.613 20 0 BFADLO Cc1cc(NC(=O)C(C)(C)C(C)C)c(C)c[nH+]1 ZINC000527120065 487532854 /nfs/dbraw/zinc/53/28/54/487532854.db2.gz WIIMJVKWFLIYTP-UHFFFAOYSA-N 1 2 234.343 2.741 20 0 BFADLO FC(F)(F)[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000669658930 487495054 /nfs/dbraw/zinc/49/50/54/487495054.db2.gz ASZZKVIHVAENHS-HTQZYQBOSA-N 1 2 243.232 2.717 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)n1 ZINC000381337971 487504287 /nfs/dbraw/zinc/50/42/87/487504287.db2.gz WMWXVPSAUYKTOM-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@H]1CCOC1 ZINC000674065751 487507324 /nfs/dbraw/zinc/50/73/24/487507324.db2.gz GODHEZXPSIKWQH-QWRGUYRKSA-N 1 2 249.358 2.611 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C2CCCC2)cc[nH+]1 ZINC000674092121 487517976 /nfs/dbraw/zinc/51/79/76/487517976.db2.gz BMILILFHTCFOPC-LLVKDONJSA-N 1 2 232.327 2.577 20 0 BFADLO CC[C@H](C)c1csc(Cn2cc[nH+]c2)n1 ZINC000395585755 487524548 /nfs/dbraw/zinc/52/45/48/487524548.db2.gz XQQACSSMXDCSIX-VIFPVBQESA-N 1 2 221.329 2.901 20 0 BFADLO Clc1ccsc1C[NH+]1CC2(CC2)C1 ZINC000335382739 487621623 /nfs/dbraw/zinc/62/16/23/487621623.db2.gz FNTRTWNQPXKQET-UHFFFAOYSA-N 1 2 213.733 2.997 20 0 BFADLO Cn1nc(CNc2cccc[nH+]2)c2ccccc21 ZINC000675049729 487666206 /nfs/dbraw/zinc/66/62/06/487666206.db2.gz ISKFHBWRJBNTQY-UHFFFAOYSA-N 1 2 238.294 2.580 20 0 BFADLO CCC(C)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000680999685 487685937 /nfs/dbraw/zinc/68/59/37/487685937.db2.gz JXXDEBMSHMWJJY-UHFFFAOYSA-N 1 2 234.343 2.885 20 0 BFADLO CN(CCOC(C)(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000676030061 487801175 /nfs/dbraw/zinc/80/11/75/487801175.db2.gz DDTWLXAIGSQJME-UHFFFAOYSA-N 1 2 249.358 2.605 20 0 BFADLO C[C@@H]1CC[C@@]2(CC[N@H+](CC(F)F)C2)C1 ZINC000679833378 487897292 /nfs/dbraw/zinc/89/72/92/487897292.db2.gz ACNXMUJUOCBLFN-MWLCHTKSSA-N 1 2 203.276 2.764 20 0 BFADLO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1 ZINC000679833378 487897297 /nfs/dbraw/zinc/89/72/97/487897297.db2.gz ACNXMUJUOCBLFN-MWLCHTKSSA-N 1 2 203.276 2.764 20 0 BFADLO Nc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000049829815 487943289 /nfs/dbraw/zinc/94/32/89/487943289.db2.gz KCYXIVDAHPOJMK-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Oc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000672159186 487996465 /nfs/dbraw/zinc/99/64/65/487996465.db2.gz XLKSVQZQHZYIQC-UHFFFAOYSA-N 1 2 239.278 2.881 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000335828522 488147127 /nfs/dbraw/zinc/14/71/27/488147127.db2.gz BRUZQUVABWUPME-LLVKDONJSA-N 1 2 227.311 2.795 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000335828522 488147133 /nfs/dbraw/zinc/14/71/33/488147133.db2.gz BRUZQUVABWUPME-LLVKDONJSA-N 1 2 227.311 2.795 20 0 BFADLO Cc1c[nH]nc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000335828522 488147139 /nfs/dbraw/zinc/14/71/39/488147139.db2.gz BRUZQUVABWUPME-LLVKDONJSA-N 1 2 227.311 2.795 20 0 BFADLO Cc1c[nH]nc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000335828522 488147146 /nfs/dbraw/zinc/14/71/46/488147146.db2.gz BRUZQUVABWUPME-LLVKDONJSA-N 1 2 227.311 2.795 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cocn1 ZINC000683354543 488152686 /nfs/dbraw/zinc/15/26/86/488152686.db2.gz BKASYWPHVJPPFW-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cocn1 ZINC000683354543 488152688 /nfs/dbraw/zinc/15/26/88/488152688.db2.gz BKASYWPHVJPPFW-DTWKUNHWSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000683386440 488157190 /nfs/dbraw/zinc/15/71/90/488157190.db2.gz UOZHSXBHKRBVAD-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO C[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000683386440 488157193 /nfs/dbraw/zinc/15/71/93/488157193.db2.gz UOZHSXBHKRBVAD-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO Cc1ncc(C[NH2+][C@@H]2CSc3ccccc32)o1 ZINC000397864178 488160582 /nfs/dbraw/zinc/16/05/82/488160582.db2.gz FNQMBUBWRSBTTK-GFCCVEGCSA-N 1 2 246.335 2.920 20 0 BFADLO Cc1cccn2c(NC(=O)N(C)C(C)C)c[nH+]c12 ZINC000667953423 488167390 /nfs/dbraw/zinc/16/73/90/488167390.db2.gz ZKUPNQPGSMAOGT-UHFFFAOYSA-N 1 2 246.314 2.515 20 0 BFADLO Cc1occc1C[NH2+][C@H]1CCCC1(F)F ZINC000398017056 488184902 /nfs/dbraw/zinc/18/49/02/488184902.db2.gz HROFGOOFLNPHBL-JTQLQIEISA-N 1 2 215.243 2.865 20 0 BFADLO CC(C)=CCSc1cc(-n2cc[nH+]c2)ncn1 ZINC000683694755 488208972 /nfs/dbraw/zinc/20/89/72/488208972.db2.gz IEQCJAZEGAPDAG-UHFFFAOYSA-N 1 2 246.339 2.721 20 0 BFADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]1c1ccccc1 ZINC000678214279 488217772 /nfs/dbraw/zinc/21/77/72/488217772.db2.gz QBGIVHDDNRSWFA-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1occc1C ZINC000668187352 488217697 /nfs/dbraw/zinc/21/76/97/488217697.db2.gz CNHNQPFBRKPJKN-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1occc1C ZINC000668187352 488217701 /nfs/dbraw/zinc/21/77/01/488217701.db2.gz CNHNQPFBRKPJKN-UHFFFAOYSA-N 1 2 247.342 2.827 20 0 BFADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]1c1ccccc1 ZINC000678214279 488217775 /nfs/dbraw/zinc/21/77/75/488217775.db2.gz QBGIVHDDNRSWFA-CQSZACIVSA-N 1 2 241.338 2.993 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CCCc3occc32)o1 ZINC000231640813 488218038 /nfs/dbraw/zinc/21/80/38/488218038.db2.gz WGGYSYOJDLDVJQ-NSHDSACASA-N 1 2 232.283 2.743 20 0 BFADLO Cc1ccc2cc(C[N@H+]3CCOC[C@@H]3C)[nH]c2c1 ZINC000668203420 488223394 /nfs/dbraw/zinc/22/33/94/488223394.db2.gz HZUDNMUTUDLGEV-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2cc(C[N@@H+]3CCOC[C@@H]3C)[nH]c2c1 ZINC000668203420 488223399 /nfs/dbraw/zinc/22/33/99/488223399.db2.gz HZUDNMUTUDLGEV-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO CCc1nc([C@H]2CCCC[N@@H+]2CC2(C)CC2)no1 ZINC000683827364 488227901 /nfs/dbraw/zinc/22/79/01/488227901.db2.gz UAMBRPFFCSWFQY-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO CCc1nc([C@H]2CCCC[N@H+]2CC2(C)CC2)no1 ZINC000683827364 488227904 /nfs/dbraw/zinc/22/79/04/488227904.db2.gz UAMBRPFFCSWFQY-LLVKDONJSA-N 1 2 249.358 2.959 20 0 BFADLO c1cc2cc(NCCC3CCOCC3)[nH+]cc2[nH]1 ZINC000672216701 488245307 /nfs/dbraw/zinc/24/53/07/488245307.db2.gz DNICVIUEKSEHRF-UHFFFAOYSA-N 1 2 245.326 2.792 20 0 BFADLO FC1(F)CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000672274742 488249044 /nfs/dbraw/zinc/24/90/44/488249044.db2.gz VSHYYDMHQVKJNT-VIFPVBQESA-N 1 2 239.269 2.954 20 0 BFADLO CCc1noc(C[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000678735488 488279781 /nfs/dbraw/zinc/27/97/81/488279781.db2.gz SOWRVNQMPRMJFK-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO COc1ccc(N[C@H](C)c2cncc(F)c2)[nH+]c1 ZINC000679069033 488305306 /nfs/dbraw/zinc/30/53/06/488305306.db2.gz WURYBSREPYPELI-SECBINFHSA-N 1 2 247.273 2.797 20 0 BFADLO COc1ccc(N[C@@H](C)c2cncc(F)c2)[nH+]c1 ZINC000679069035 488305728 /nfs/dbraw/zinc/30/57/28/488305728.db2.gz WURYBSREPYPELI-VIFPVBQESA-N 1 2 247.273 2.797 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2C[C@H]2C2CC2)cc[nH+]1 ZINC000684656348 488337093 /nfs/dbraw/zinc/33/70/93/488337093.db2.gz VDAJMNHXOQYTER-WDEREUQCSA-N 1 2 231.343 2.985 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@@H]1F ZINC000679189346 488315218 /nfs/dbraw/zinc/31/52/18/488315218.db2.gz BJHOCPXDMVCOMM-MNOVXSKESA-N 1 2 247.317 2.758 20 0 BFADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1F ZINC000679191619 488315924 /nfs/dbraw/zinc/31/59/24/488315924.db2.gz IAJDAUQUQNPFAM-ZJUUUORDSA-N 1 2 233.290 2.747 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccncc2Cl)C[C@@H]1F ZINC000679225751 488322033 /nfs/dbraw/zinc/32/20/33/488322033.db2.gz YEEJQPKYPHBWLU-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@@H]1F ZINC000679225751 488322035 /nfs/dbraw/zinc/32/20/35/488322035.db2.gz YEEJQPKYPHBWLU-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000679351101 488342884 /nfs/dbraw/zinc/34/28/84/488342884.db2.gz JDWZKURPVCKTPY-GHMZBOCLSA-N 1 2 244.342 2.833 20 0 BFADLO COc1ccc([C@@H](C)CNc2c[nH]c[nH+]2)cc1 ZINC000684836407 488347981 /nfs/dbraw/zinc/34/79/81/488347981.db2.gz WPUFXJVMEJQWOT-JTQLQIEISA-N 1 2 231.299 2.634 20 0 BFADLO FC(F)COc1cccc(-n2cc[nH+]c2)c1 ZINC000679391353 488349728 /nfs/dbraw/zinc/34/97/28/488349728.db2.gz UMDZVCWNHFRBSH-UHFFFAOYSA-N 1 2 224.210 2.516 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000679474959 488353519 /nfs/dbraw/zinc/35/35/19/488353519.db2.gz MGGYRJHUEJQALC-QWRGUYRKSA-N 1 2 245.326 2.955 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)CCO ZINC000122969804 490185697 /nfs/dbraw/zinc/18/56/97/490185697.db2.gz XKHTXRQAYKRUHH-NSHDSACASA-N 1 2 230.311 2.726 20 0 BFADLO C[C@H]([NH2+]Cc1cscn1)c1ccco1 ZINC000042226061 490382024 /nfs/dbraw/zinc/38/20/24/490382024.db2.gz CKSXYQVCLDVPKI-QMMMGPOBSA-N 1 2 208.286 2.587 20 0 BFADLO CC[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085652504 490566436 /nfs/dbraw/zinc/56/64/36/490566436.db2.gz LPTVZDYCZWNQJL-VIFPVBQESA-N 1 2 201.273 2.840 20 0 BFADLO Cc1ccc(C[NH2+]Cc2c(F)cccc2F)nc1 ZINC000400877600 490569932 /nfs/dbraw/zinc/56/99/32/490569932.db2.gz CNEPIGVMWZAMRM-UHFFFAOYSA-N 1 2 248.276 2.958 20 0 BFADLO Cc1cc(C[NH2+]Cc2ncc(C)s2)sn1 ZINC000309199430 491052836 /nfs/dbraw/zinc/05/28/36/491052836.db2.gz QZRYSFOKPZPXCZ-UHFFFAOYSA-N 1 2 239.369 2.506 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000227083866 491054999 /nfs/dbraw/zinc/05/49/99/491054999.db2.gz QBAGSWFMIQLXCE-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(F)F ZINC000228483798 491088376 /nfs/dbraw/zinc/08/83/76/491088376.db2.gz HJJOAFIVTKLXBV-LDYMZIIASA-N 1 2 211.255 2.917 20 0 BFADLO CC[C@@H]1C[C@H](Nc2ccc[nH+]c2C)CCO1 ZINC000085712310 491123534 /nfs/dbraw/zinc/12/35/34/491123534.db2.gz VQQHBYGQHNANJJ-VXGBXAGGSA-N 1 2 220.316 2.760 20 0 BFADLO c1csc(C[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000091661292 491131287 /nfs/dbraw/zinc/13/12/87/491131287.db2.gz HKIBZVIXIYYJSE-LLVKDONJSA-N 1 2 245.351 2.705 20 0 BFADLO CC[C@H]1CC[C@@H]1Nc1ccc(OC)c[nH+]1 ZINC000309248910 491146716 /nfs/dbraw/zinc/14/67/16/491146716.db2.gz ZSLISCKXEVGOAE-ONGXEEELSA-N 1 2 206.289 2.691 20 0 BFADLO C[C@H](CCc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000309771201 491156175 /nfs/dbraw/zinc/15/61/75/491156175.db2.gz OQVYDINISSHEAI-LLVKDONJSA-N 1 2 215.300 2.843 20 0 BFADLO COC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(C)C ZINC000742412400 582667982 /nfs/dbraw/zinc/66/79/82/582667982.db2.gz ABDFXPXSUMSWPX-LLVKDONJSA-N 1 2 237.347 2.683 20 0 BFADLO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cnsn3)C2)C1 ZINC000846847571 582668287 /nfs/dbraw/zinc/66/82/87/582668287.db2.gz ATHUDEICNBHMHY-PWSUYJOCSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000846847571 582668290 /nfs/dbraw/zinc/66/82/90/582668290.db2.gz ATHUDEICNBHMHY-PWSUYJOCSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000507170589 534128086 /nfs/dbraw/zinc/12/80/86/534128086.db2.gz OOVBXOIORNYQPP-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000507170589 534128092 /nfs/dbraw/zinc/12/80/92/534128092.db2.gz OOVBXOIORNYQPP-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO Cc1cnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528763652 518191663 /nfs/dbraw/zinc/19/16/63/518191663.db2.gz AIXYIVJABYYSRP-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)o1 ZINC000528763652 518191664 /nfs/dbraw/zinc/19/16/64/518191664.db2.gz AIXYIVJABYYSRP-QMMMGPOBSA-N 1 2 230.258 2.603 20 0 BFADLO Cn1c2ccc(F)cc2[nH]c1=[NH+]CC(C)(C)C ZINC000478560967 534710414 /nfs/dbraw/zinc/71/04/14/534710414.db2.gz KELUXBKBANOZMS-UHFFFAOYSA-N 1 2 235.306 2.592 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1cccc(Cl)c1 ZINC000493421188 534804496 /nfs/dbraw/zinc/80/44/96/534804496.db2.gz PDDKAMWTTDZRKN-PLNGDYQASA-N 1 2 247.685 2.715 20 0 BFADLO CC(C)c1nc(N2CCC(CF)CC2)cc[nH+]1 ZINC000336266282 534907959 /nfs/dbraw/zinc/90/79/59/534907959.db2.gz NYYSADFPHDSJJG-UHFFFAOYSA-N 1 2 237.322 2.786 20 0 BFADLO C/C=C(/C=C/C(=O)NC1=[NH+]C[C@@H](C)S1)CC ZINC000493087391 527550897 /nfs/dbraw/zinc/55/08/97/527550897.db2.gz QDGYUTULAOHALP-BHPSHTNASA-N 1 2 238.356 2.506 20 0 BFADLO CC(C)(C)CCCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493404763 527657758 /nfs/dbraw/zinc/65/77/58/527657758.db2.gz SVZZPFABGWLIPM-VOTSOKGWSA-N 1 2 249.358 2.756 20 0 BFADLO CC(C)CCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492914367 527705758 /nfs/dbraw/zinc/70/57/58/527705758.db2.gz SPNZPBHYWKPXDO-GUOLPTJISA-N 1 2 249.358 2.754 20 0 BFADLO CCC[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)C1CCC1 ZINC000493634088 528167160 /nfs/dbraw/zinc/16/71/60/528167160.db2.gz YIANBGCWASKTRQ-GUOLPTJISA-N 1 2 247.342 2.508 20 0 BFADLO CCC[C@H]([NH2+]C/C=C/c1ccccc1)C(=O)OC ZINC000475102475 528214186 /nfs/dbraw/zinc/21/41/86/528214186.db2.gz SXGMJXJGWMTEHA-OIOXUXFSSA-N 1 2 247.338 2.631 20 0 BFADLO CCCCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H](C)CC ZINC000493387548 528296451 /nfs/dbraw/zinc/29/64/51/528296451.db2.gz NWVNMDMBSZUELE-ABZNLYFFSA-N 1 2 249.358 2.850 20 0 BFADLO CCCCN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H](C)CC ZINC000493387550 528296891 /nfs/dbraw/zinc/29/68/91/528296891.db2.gz NWVNMDMBSZUELE-GUOLPTJISA-N 1 2 249.358 2.850 20 0 BFADLO CC(C)c1nc(N2CC[C@H]2C(C)C)cc[nH+]1 ZINC000450815255 528365020 /nfs/dbraw/zinc/36/50/20/528365020.db2.gz SDWIOILRFFNUHF-NSHDSACASA-N 1 2 219.332 2.835 20 0 BFADLO CCCC[C@@H](CC)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493616356 528775190 /nfs/dbraw/zinc/77/51/90/528775190.db2.gz GRBIFKXBMAHRMS-ABZNLYFFSA-N 1 2 249.358 2.756 20 0 BFADLO CC1(C)CCC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493385321 528955936 /nfs/dbraw/zinc/95/59/36/528955936.db2.gz MPUQAIJXQWWQNA-MVIFTORASA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492852642 529253775 /nfs/dbraw/zinc/25/37/75/529253775.db2.gz LWAUYLKFGQJSPH-QUXAFYNFSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)c1nnc(C[NH+]2CCCCC2)s1 ZINC000335584871 534971356 /nfs/dbraw/zinc/97/13/56/534971356.db2.gz VOLSGENVRSSGGZ-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO CSCC[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892606332 582928048 /nfs/dbraw/zinc/92/80/48/582928048.db2.gz ZZPOVCQKDIBZJU-ZJUUUORDSA-N 1 2 240.372 2.688 20 0 BFADLO COC1(C)CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000340925351 536566054 /nfs/dbraw/zinc/56/60/54/536566054.db2.gz ZRWLGJRMOLEERC-UHFFFAOYSA-N 1 2 249.358 2.605 20 0 BFADLO COCCCNc1[nH+]ccc2c(OC)cccc21 ZINC000234652091 536592516 /nfs/dbraw/zinc/59/25/16/536592516.db2.gz WNLCCJAHUNYKFS-UHFFFAOYSA-N 1 2 246.310 2.692 20 0 BFADLO Cc1nc(NCCC[C@@H]2CCCC[C@H]2O)cc[nH+]1 ZINC000154474306 538092621 /nfs/dbraw/zinc/09/26/21/538092621.db2.gz XMDQRZIQTKNEIM-QWHCGFSZSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1coc(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000893966304 583264009 /nfs/dbraw/zinc/26/40/09/583264009.db2.gz NVXHEAFWDIUSFQ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1coc(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000893966304 583264010 /nfs/dbraw/zinc/26/40/10/583264010.db2.gz NVXHEAFWDIUSFQ-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC(C)([NH2+]Cc1ccc(O)c(F)c1)C(F)F ZINC000894149890 583319421 /nfs/dbraw/zinc/31/94/21/583319421.db2.gz YDPSTDQFIYECER-UHFFFAOYSA-N 1 2 233.233 2.665 20 0 BFADLO CC[C@@H](C)C[N@H+](C)Cn1ncsc1=S ZINC000111165642 588725431 /nfs/dbraw/zinc/72/54/31/588725431.db2.gz CAXNNBZXQHZVNS-MRVPVSSYSA-N 1 2 231.390 2.609 20 0 BFADLO CC[C@@H](C)C[N@@H+](C)Cn1ncsc1=S ZINC000111165642 588725432 /nfs/dbraw/zinc/72/54/32/588725432.db2.gz CAXNNBZXQHZVNS-MRVPVSSYSA-N 1 2 231.390 2.609 20 0 BFADLO CCc1nn(C[N@H+](C)C2CCC2)c(=S)s1 ZINC000853497928 588746220 /nfs/dbraw/zinc/74/62/20/588746220.db2.gz IMUBMXJCZOXGAM-UHFFFAOYSA-N 1 2 243.401 2.678 20 0 BFADLO CCc1nn(C[N@@H+](C)C2CCC2)c(=S)s1 ZINC000853497928 588746221 /nfs/dbraw/zinc/74/62/21/588746221.db2.gz IMUBMXJCZOXGAM-UHFFFAOYSA-N 1 2 243.401 2.678 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC000111320494 588743887 /nfs/dbraw/zinc/74/38/87/588743887.db2.gz ZESIZBFVTUOFGF-LBPRGKRZSA-N 1 2 235.327 2.842 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OCC1CC=CC1 ZINC000853638011 588751251 /nfs/dbraw/zinc/75/12/51/588751251.db2.gz XLZSCVMJLDHXFI-UHFFFAOYSA-N 1 2 230.311 2.808 20 0 BFADLO NC(COc1ccccc1)=[NH+]OCCC1CCC1 ZINC000853645429 588751810 /nfs/dbraw/zinc/75/18/10/588751810.db2.gz AQGDNSMGHOFCIU-UHFFFAOYSA-N 1 2 248.326 2.754 20 0 BFADLO CC(C)[C@H](C)O[NH+]=C(N)Cc1ccccc1 ZINC000853655824 588752657 /nfs/dbraw/zinc/75/26/57/588752657.db2.gz OTCJQFKCGMUNJR-NSHDSACASA-N 1 2 220.316 2.772 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCCCC1CCC1 ZINC000853689148 588756459 /nfs/dbraw/zinc/75/64/59/588756459.db2.gz YWBCGPNOZBBZQP-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO ClC(Cl)=CCSCCn1cc[nH+]c1 ZINC000853783146 588763145 /nfs/dbraw/zinc/76/31/45/588763145.db2.gz PQSRGXPEFGWFCF-UHFFFAOYSA-N 1 2 237.155 2.935 20 0 BFADLO CC(C)c1nc(N[C@@H]2C=CCC2)cc[nH+]1 ZINC000853800995 588764113 /nfs/dbraw/zinc/76/41/13/588764113.db2.gz KBXKXIGDNVVDGJ-SNVBAGLBSA-N 1 2 203.289 2.731 20 0 BFADLO CC(C)c1nc(N[C@H](C)c2nccn2C)cc[nH+]1 ZINC000853966466 588770567 /nfs/dbraw/zinc/77/05/67/588770567.db2.gz DLWZVPQUHLFPIZ-SNVBAGLBSA-N 1 2 245.330 2.507 20 0 BFADLO CC(C)c1nccc(N[C@H](C)c2[nH+]ccn2C)n1 ZINC000853966466 588770568 /nfs/dbraw/zinc/77/05/68/588770568.db2.gz DLWZVPQUHLFPIZ-SNVBAGLBSA-N 1 2 245.330 2.507 20 0 BFADLO CC[NH2+]Cc1noc([C@@]2(C)CC=C(C)CC2)n1 ZINC000854132127 588775885 /nfs/dbraw/zinc/77/58/85/588775885.db2.gz MKRLZJOQLICLGZ-ZDUSSCGKSA-N 1 2 235.331 2.567 20 0 BFADLO CC[C@@H](C)N(CC)C(=O)c1cccc2[nH+]ccn21 ZINC000855146514 588824338 /nfs/dbraw/zinc/82/43/38/588824338.db2.gz XMCLINXRUMIUAM-LLVKDONJSA-N 1 2 245.326 2.595 20 0 BFADLO COc1ccc[nH+]c1N1CCC2(CCCC2)C1 ZINC000858428811 582461107 /nfs/dbraw/zinc/46/11/07/582461107.db2.gz AAGFHQFGMXXPOD-UHFFFAOYSA-N 1 2 232.327 2.861 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCO)c(C)c1 ZINC000806159136 582479600 /nfs/dbraw/zinc/47/96/00/582479600.db2.gz YMXNCIBZPZKABW-TZMCWYRMSA-N 1 2 249.354 2.967 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1cn2c(n1)CCCC2 ZINC000813322774 582606942 /nfs/dbraw/zinc/60/69/42/582606942.db2.gz HPIMEQDORRQOAF-LLVKDONJSA-N 1 2 245.326 2.663 20 0 BFADLO C[C@@H](NCc1ccco1)c1cn2c([nH+]1)CCCC2 ZINC000813322774 582606944 /nfs/dbraw/zinc/60/69/44/582606944.db2.gz HPIMEQDORRQOAF-LLVKDONJSA-N 1 2 245.326 2.663 20 0 BFADLO c1cn(C2CC2)c(CN2Cc3ccccc3C2)[nH+]1 ZINC000891949306 582743702 /nfs/dbraw/zinc/74/37/02/582743702.db2.gz PFFXGVFRDVWGHR-UHFFFAOYSA-N 1 2 239.322 2.734 20 0 BFADLO CCc1cc(NC[C@@H]2CCCCO2)nc(CC)[nH+]1 ZINC000892002604 582758903 /nfs/dbraw/zinc/75/89/03/582758903.db2.gz UWMAFBPXWFFPIH-LBPRGKRZSA-N 1 2 249.358 2.582 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(C)c[nH+]1 ZINC000866858764 582763340 /nfs/dbraw/zinc/76/33/40/582763340.db2.gz FFUDSZGBEKMUSR-VXGBXAGGSA-N 1 2 246.354 2.741 20 0 BFADLO COCCCN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000892036577 582769128 /nfs/dbraw/zinc/76/91/28/582769128.db2.gz OMMQZFSHZGYVRK-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2cccc(C)n2)o1 ZINC000892103831 582791143 /nfs/dbraw/zinc/79/11/43/582791143.db2.gz OAHUJJMSQGTDHD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2cccc(C)n2)o1 ZINC000892103831 582791145 /nfs/dbraw/zinc/79/11/45/582791145.db2.gz OAHUJJMSQGTDHD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C/C=C(/CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000856287146 588867479 /nfs/dbraw/zinc/86/74/79/588867479.db2.gz NVWNZAKQLDMPHG-WCIBSUBMSA-N 1 2 243.310 2.938 20 0 BFADLO CSCCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000892603047 582925828 /nfs/dbraw/zinc/92/58/28/582925828.db2.gz GSJYMGHECXOMOS-SNVBAGLBSA-N 1 2 240.372 2.690 20 0 BFADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000783287988 582955062 /nfs/dbraw/zinc/95/50/62/582955062.db2.gz SQXYNKGTSSXBQJ-JQWIXIFHSA-N 1 2 232.327 2.726 20 0 BFADLO CCc1cc(N2CCC[C@@H]2C)nc(CC)[nH+]1 ZINC000892737671 582973399 /nfs/dbraw/zinc/97/33/99/582973399.db2.gz HZEOTJYKMNVWPB-JTQLQIEISA-N 1 2 219.332 2.590 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856279948 588866892 /nfs/dbraw/zinc/86/68/92/588866892.db2.gz IEDRJCPWQURWEV-JUDLJHIGSA-N 1 2 249.358 2.590 20 0 BFADLO Cc1cn2ccc(NC(=O)/C=C/C3CC3)cc2[nH+]1 ZINC000856286831 588867336 /nfs/dbraw/zinc/86/73/36/588867336.db2.gz CCWFPBZKUVCASE-SNAWJCMRSA-N 1 2 241.294 2.547 20 0 BFADLO CC(C)C[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892951299 583017875 /nfs/dbraw/zinc/01/78/75/583017875.db2.gz MQOSQHRKCJCNSV-GHMZBOCLSA-N 1 2 222.332 2.981 20 0 BFADLO Cc1cc(NC(C)(C)[C@@H](C)O)nc(C2CCC2)[nH+]1 ZINC000893037277 583034968 /nfs/dbraw/zinc/03/49/68/583034968.db2.gz JDQYJAANMZZHCG-SNVBAGLBSA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2C=CCC2)cc[nH+]1 ZINC000853799506 583069681 /nfs/dbraw/zinc/06/96/81/583069681.db2.gz HWCTUHSTAMFVPZ-SNVBAGLBSA-N 1 2 217.316 2.905 20 0 BFADLO Cc1cc(Br)cc(N2CC(C)C2)[nH+]1 ZINC000893197277 583069856 /nfs/dbraw/zinc/06/98/56/583069856.db2.gz LRBVMSHVMXXZTK-UHFFFAOYSA-N 1 2 241.132 2.609 20 0 BFADLO C[C@@H](CC(=O)OC[C@@H]1CC12CCC2)n1cc[nH+]c1 ZINC000893467466 583148542 /nfs/dbraw/zinc/14/85/42/583148542.db2.gz TWLIHKDGTBXXMG-RYUDHWBXSA-N 1 2 248.326 2.568 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1CC=CCC1 ZINC000893519656 583156164 /nfs/dbraw/zinc/15/61/64/583156164.db2.gz RWSMCWNCRDAHNS-RYUDHWBXSA-N 1 2 246.310 2.536 20 0 BFADLO CCc1cc(N2[C@H](C)C[C@H]2C)nc(CC)[nH+]1 ZINC000893589564 583168110 /nfs/dbraw/zinc/16/81/10/583168110.db2.gz IBDVULYGGXCBKL-NXEZZACHSA-N 1 2 219.332 2.589 20 0 BFADLO CO[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CCC2)n1 ZINC000893847551 583232986 /nfs/dbraw/zinc/23/29/86/583232986.db2.gz HINVYWISSCGRSA-NSHDSACASA-N 1 2 249.358 2.524 20 0 BFADLO Cc1coc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000893880998 583239468 /nfs/dbraw/zinc/23/94/68/583239468.db2.gz SLBSHWQMGNUPEV-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO Cc1coc(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC000893880998 583239471 /nfs/dbraw/zinc/23/94/71/583239471.db2.gz SLBSHWQMGNUPEV-LBPRGKRZSA-N 1 2 230.311 2.966 20 0 BFADLO C[C@H]1C[N@H+](C/C=C\c2cccc(F)c2)CCO1 ZINC000893916010 583245803 /nfs/dbraw/zinc/24/58/03/583245803.db2.gz CAAXJQMJUHTJON-FHMRSRPSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CCO1 ZINC000893916010 583245806 /nfs/dbraw/zinc/24/58/06/583245806.db2.gz CAAXJQMJUHTJON-FHMRSRPSSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@H+](C/C=C/c2cccc(F)c2)CCO1 ZINC000893916013 583246038 /nfs/dbraw/zinc/24/60/38/583246038.db2.gz CAAXJQMJUHTJON-PYEVWLCESA-N 1 2 235.302 2.560 20 0 BFADLO C[C@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CCO1 ZINC000893916013 583246041 /nfs/dbraw/zinc/24/60/41/583246041.db2.gz CAAXJQMJUHTJON-PYEVWLCESA-N 1 2 235.302 2.560 20 0 BFADLO CC[C@H](CNc1cc(C)[nH+]c(C2CCC2)n1)OC ZINC000893919927 583248397 /nfs/dbraw/zinc/24/83/97/583248397.db2.gz YDOFXINEVILDNL-GFCCVEGCSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000894000328 583271478 /nfs/dbraw/zinc/27/14/78/583271478.db2.gz QGDXDQHPLZYBAR-MWLCHTKSSA-N 1 2 231.343 2.897 20 0 BFADLO COc1ccc2ccc(N3CC[C@@H](F)C3)[nH+]c2c1 ZINC000894022792 583274221 /nfs/dbraw/zinc/27/42/21/583274221.db2.gz DUWPEEDBQLXKRO-LLVKDONJSA-N 1 2 246.285 2.792 20 0 BFADLO Cc1cc(N2CC3(CC3)C2)nc(C2CCC2)[nH+]1 ZINC000894015672 583276055 /nfs/dbraw/zinc/27/60/55/583276055.db2.gz AMDRQOFDVWPJSA-UHFFFAOYSA-N 1 2 229.327 2.653 20 0 BFADLO Cc1[nH]nc(C[NH+]2CCC(C(C)C)CC2)c1C ZINC000894053210 583289872 /nfs/dbraw/zinc/28/98/72/583289872.db2.gz ILGGZGYFSMCJCI-UHFFFAOYSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1csc(CNc2cc(N(C)C)nc[nH+]2)c1 ZINC000894054580 583290712 /nfs/dbraw/zinc/29/07/12/583290712.db2.gz YHOMOTJKNSSKIV-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1csc(CNc2cc(N(C)C)[nH+]cn2)c1 ZINC000894054580 583290715 /nfs/dbraw/zinc/29/07/15/583290715.db2.gz YHOMOTJKNSSKIV-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)[C@@H]1C[C@H]1CNc1cccc([C@@H](C)O)[nH+]1 ZINC000894082488 583294100 /nfs/dbraw/zinc/29/41/00/583294100.db2.gz ZDWLVKDCCDGONQ-WOPDTQHZSA-N 1 2 234.343 2.839 20 0 BFADLO CC(C)Oc1ccc(NCc2c[nH+]c[nH]2)c(F)c1 ZINC000894114879 583309549 /nfs/dbraw/zinc/30/95/49/583309549.db2.gz BXOUPVPYKMJXTH-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO CC(C)Oc1ccc(NCc2c[nH]c[nH+]2)c(F)c1 ZINC000894114879 583309550 /nfs/dbraw/zinc/30/95/50/583309550.db2.gz BXOUPVPYKMJXTH-UHFFFAOYSA-N 1 2 249.289 2.948 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)cnc1F ZINC000894150051 583319480 /nfs/dbraw/zinc/31/94/80/583319480.db2.gz YLSHWOGYVBUUHC-UHFFFAOYSA-N 1 2 232.249 2.662 20 0 BFADLO CC(C)[C@]1(C)C[C@@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894160835 583321714 /nfs/dbraw/zinc/32/17/14/583321714.db2.gz DQKQSGVTVTUDLO-JKOKRWQUSA-N 1 2 234.343 2.981 20 0 BFADLO Cc1conc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000878165935 583364072 /nfs/dbraw/zinc/36/40/72/583364072.db2.gz HTPCIFUHVHYNJL-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1conc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000878165935 583364074 /nfs/dbraw/zinc/36/40/74/583364074.db2.gz HTPCIFUHVHYNJL-AWEZNQCLSA-N 1 2 228.295 2.930 20 0 BFADLO CC(=O)C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000878418454 583373217 /nfs/dbraw/zinc/37/32/17/583373217.db2.gz YNSMRCOEPZZAGS-VIFPVBQESA-N 1 2 234.324 2.536 20 0 BFADLO C[C@@H](O)c1cccc(N2CC[C@H](C3CCC3)C2)[nH+]1 ZINC000894225602 583383535 /nfs/dbraw/zinc/38/35/35/583383535.db2.gz DUSMYVCIBPGODP-YPMHNXCESA-N 1 2 246.354 2.761 20 0 BFADLO CC(C)c1c[nH]c(CN2CCC=C(F)C2)[nH+]1 ZINC000894427391 583456354 /nfs/dbraw/zinc/45/63/54/583456354.db2.gz NOKZPKTVBSGHRZ-UHFFFAOYSA-N 1 2 223.295 2.592 20 0 BFADLO Fc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCC2 ZINC000894428998 583456715 /nfs/dbraw/zinc/45/67/15/583456715.db2.gz KJOJCYOZXQMGKF-UHFFFAOYSA-N 1 2 231.274 2.502 20 0 BFADLO Fc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCC2 ZINC000894428998 583456719 /nfs/dbraw/zinc/45/67/19/583456719.db2.gz KJOJCYOZXQMGKF-UHFFFAOYSA-N 1 2 231.274 2.502 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@H](C)c2ccccn2)c1C ZINC000894422604 583457602 /nfs/dbraw/zinc/45/76/02/583457602.db2.gz JZEZJOOWUPMVPY-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@H](C)c2ccccn2)c1C ZINC000894422604 583457603 /nfs/dbraw/zinc/45/76/03/583457603.db2.gz JZEZJOOWUPMVPY-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO COc1cc(C)c(NCc2c[nH+]c[nH]2)cc1C ZINC000894574369 583486824 /nfs/dbraw/zinc/48/68/24/583486824.db2.gz SJWUHSPFEJITFF-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO COc1cc(C)c(NCc2c[nH]c[nH+]2)cc1C ZINC000894574369 583486827 /nfs/dbraw/zinc/48/68/27/583486827.db2.gz SJWUHSPFEJITFF-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc(C2CC2)c1 ZINC000894586622 583489213 /nfs/dbraw/zinc/48/92/13/583489213.db2.gz JIELCMHURSULQS-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc(C2CC2)c1 ZINC000894586622 583489215 /nfs/dbraw/zinc/48/92/15/583489215.db2.gz JIELCMHURSULQS-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO CCCc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894586768 583489438 /nfs/dbraw/zinc/48/94/38/583489438.db2.gz VLKFGFWQQQTPOL-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCCc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894586768 583489440 /nfs/dbraw/zinc/48/94/40/583489440.db2.gz VLKFGFWQQQTPOL-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1cccc2c1CCC2 ZINC000894586506 583489737 /nfs/dbraw/zinc/48/97/37/583489737.db2.gz GIOIBEXUIKOJQL-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1cccc2c1CCC2 ZINC000894586506 583489738 /nfs/dbraw/zinc/48/97/38/583489738.db2.gz GIOIBEXUIKOJQL-UHFFFAOYSA-N 1 2 241.338 2.530 20 0 BFADLO Cc1nnc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)s1 ZINC000894605019 583491031 /nfs/dbraw/zinc/49/10/31/583491031.db2.gz IFAMOACBYIDZJF-LLVKDONJSA-N 1 2 239.388 2.713 20 0 BFADLO Cc1nnc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)s1 ZINC000894605019 583491032 /nfs/dbraw/zinc/49/10/32/583491032.db2.gz IFAMOACBYIDZJF-LLVKDONJSA-N 1 2 239.388 2.713 20 0 BFADLO Cc1cc(N2CC[C@@H]3C[C@@H]3C2)nc(C2CCC2)[nH+]1 ZINC000894595489 583493011 /nfs/dbraw/zinc/49/30/11/583493011.db2.gz ZNZWDVDNAWRBAJ-CHWSQXEVSA-N 1 2 243.354 2.899 20 0 BFADLO C[C@@H](O)c1cccc(NCCCc2ccco2)[nH+]1 ZINC000894614721 583494432 /nfs/dbraw/zinc/49/44/32/583494432.db2.gz VCJDWEWNVBZYDP-LLVKDONJSA-N 1 2 246.310 2.773 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@@H]2C2CC2)s1 ZINC000894690537 583508848 /nfs/dbraw/zinc/50/88/48/583508848.db2.gz RKKYFKWEANMYFU-SNVBAGLBSA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@@H]2C2CC2)s1 ZINC000894690537 583508849 /nfs/dbraw/zinc/50/88/49/583508849.db2.gz RKKYFKWEANMYFU-SNVBAGLBSA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]2C2CC2)s1 ZINC000894690536 583508851 /nfs/dbraw/zinc/50/88/51/583508851.db2.gz RKKYFKWEANMYFU-JTQLQIEISA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@H]2C2CC2)s1 ZINC000894690536 583508852 /nfs/dbraw/zinc/50/88/52/583508852.db2.gz RKKYFKWEANMYFU-JTQLQIEISA-N 1 2 237.372 2.646 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000894700797 583509927 /nfs/dbraw/zinc/50/99/27/583509927.db2.gz UUQBARKFZDIWRE-LOWDOPEQSA-N 1 2 246.354 2.983 20 0 BFADLO CO[C@H]1C[C@H](Nc2cc(C)[nH+]c(C3CCC3)n2)C1 ZINC000894819350 583524696 /nfs/dbraw/zinc/52/46/96/583524696.db2.gz INMALWYLBYDSRC-HAQNSBGRSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1nnc(C[N@@H+]2CCc3ccsc3[C@H]2C)o1 ZINC000880376894 583530562 /nfs/dbraw/zinc/53/05/62/583530562.db2.gz LCWXVWFGDRFPHL-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc(C[N@H+]2CCc3ccsc3[C@H]2C)o1 ZINC000880376894 583530564 /nfs/dbraw/zinc/53/05/64/583530564.db2.gz LCWXVWFGDRFPHL-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO CCCc1nc(C)c(C[NH2+]Cc2ocnc2C)o1 ZINC000894850094 583532078 /nfs/dbraw/zinc/53/20/78/583532078.db2.gz LKUOHYPLVBPWEZ-UHFFFAOYSA-N 1 2 249.314 2.522 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2F)[C@@H]1C ZINC000894860510 583534655 /nfs/dbraw/zinc/53/46/55/583534655.db2.gz PONRGHIYQSXOGT-HTQZYQBOSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2F)[C@@H]1C ZINC000894860510 583534657 /nfs/dbraw/zinc/53/46/57/583534657.db2.gz PONRGHIYQSXOGT-HTQZYQBOSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccnc(Cl)c1F ZINC000894860511 583534674 /nfs/dbraw/zinc/53/46/74/583534674.db2.gz PONRGHIYQSXOGT-JGVFFNPUSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccnc(Cl)c1F ZINC000894860511 583534676 /nfs/dbraw/zinc/53/46/76/583534676.db2.gz PONRGHIYQSXOGT-JGVFFNPUSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2F)[C@H]1C ZINC000894860512 583534703 /nfs/dbraw/zinc/53/47/03/583534703.db2.gz PONRGHIYQSXOGT-SFYZADRCSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2F)[C@H]1C ZINC000894860512 583534704 /nfs/dbraw/zinc/53/47/04/583534704.db2.gz PONRGHIYQSXOGT-SFYZADRCSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2F)[C@H]1C ZINC000894862249 583535557 /nfs/dbraw/zinc/53/55/57/583535557.db2.gz VPHKXEIAQNEYLC-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2F)[C@H]1C ZINC000894862249 583535560 /nfs/dbraw/zinc/53/55/60/583535560.db2.gz VPHKXEIAQNEYLC-YUMQZZPRSA-N 1 2 229.245 2.944 20 0 BFADLO Cc1ccc(C[NH+]2CC(C(F)(F)F)C2)o1 ZINC000894898251 583550802 /nfs/dbraw/zinc/55/08/02/583550802.db2.gz UWAFXADGXBUPRI-UHFFFAOYSA-N 1 2 219.206 2.582 20 0 BFADLO CC(C)C[C@@H](C)CNc1cc(CO)cc[nH+]1 ZINC000895038034 583570439 /nfs/dbraw/zinc/57/04/39/583570439.db2.gz FUUUWCDWHXRIRS-LLVKDONJSA-N 1 2 222.332 2.668 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@H]2C=CCC2)[nH+]1 ZINC000895131594 583600971 /nfs/dbraw/zinc/60/09/71/583600971.db2.gz YEPWPXOYQLAZPV-GHMZBOCLSA-N 1 2 218.300 2.513 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@@]2(C)CC2(C)C)[nH+]1 ZINC000895134076 583601471 /nfs/dbraw/zinc/60/14/71/583601471.db2.gz UNEWHTGOWVHOQC-QMTHXVAHSA-N 1 2 234.343 2.983 20 0 BFADLO COc1ccc2ccc(N3C[C@@H]4C[C@@H]4C3)[nH+]c2c1 ZINC000895181882 583617744 /nfs/dbraw/zinc/61/77/44/583617744.db2.gz NKTBPYFRZQVSIY-TXEJJXNPSA-N 1 2 240.306 2.700 20 0 BFADLO Cc1[nH]c([C@@H]2CCCN2c2nccs2)[nH+]c1C ZINC000895197388 583623374 /nfs/dbraw/zinc/62/33/74/583623374.db2.gz RJHHBCHIBNCFPQ-JTQLQIEISA-N 1 2 248.355 2.825 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](CCF)C2)c1C ZINC000895274752 583635299 /nfs/dbraw/zinc/63/52/99/583635299.db2.gz JXDHAQLHNAXKLP-LBPRGKRZSA-N 1 2 239.338 2.598 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](CCF)C2)c1C ZINC000895274752 583635300 /nfs/dbraw/zinc/63/53/00/583635300.db2.gz JXDHAQLHNAXKLP-LBPRGKRZSA-N 1 2 239.338 2.598 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2Cc3ccncc3C2)s1 ZINC000857875796 588918948 /nfs/dbraw/zinc/91/89/48/588918948.db2.gz CERJCDPTANHRIN-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO Cc1nc(C)c(C[N@H+]2Cc3ccncc3C2)s1 ZINC000857875796 588918949 /nfs/dbraw/zinc/91/89/49/588918949.db2.gz CERJCDPTANHRIN-UHFFFAOYSA-N 1 2 245.351 2.671 20 0 BFADLO Fc1ccccc1CC[N@@H+]1Cc2ccncc2C1 ZINC000857879752 588919433 /nfs/dbraw/zinc/91/94/33/588919433.db2.gz PHMYIBAEWQDQON-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1ccccc1CC[N@H+]1Cc2ccncc2C1 ZINC000857879752 588919434 /nfs/dbraw/zinc/91/94/34/588919434.db2.gz PHMYIBAEWQDQON-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO CC(C)c1c[nH]c(C[NH+]2CC(CC3CC3)C2)n1 ZINC000895376199 583661353 /nfs/dbraw/zinc/66/13/53/583661353.db2.gz FMWCUHRCXZSWPN-UHFFFAOYSA-N 1 2 233.359 2.765 20 0 BFADLO CC1(C[N@@H+]2CC[C@@H]2C(F)F)CCCC1 ZINC000895431334 583670311 /nfs/dbraw/zinc/67/03/11/583670311.db2.gz LGODATVTKSWFMS-SECBINFHSA-N 1 2 203.276 2.906 20 0 BFADLO CC1(C[N@H+]2CC[C@@H]2C(F)F)CCCC1 ZINC000895431334 583670312 /nfs/dbraw/zinc/67/03/12/583670312.db2.gz LGODATVTKSWFMS-SECBINFHSA-N 1 2 203.276 2.906 20 0 BFADLO c1ccc(N[C@H]2CCC[C@@]23CCCO3)[nH+]c1 ZINC000882984603 583672649 /nfs/dbraw/zinc/67/26/49/583672649.db2.gz NQUROWVIQJZSDW-WCQYABFASA-N 1 2 218.300 2.595 20 0 BFADLO Cc1[nH]nc(C[NH+]2CCC(CCF)CC2)c1C ZINC000895440822 583675108 /nfs/dbraw/zinc/67/51/08/583675108.db2.gz ZIFPMSBGDFERDR-UHFFFAOYSA-N 1 2 239.338 2.598 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccns2)sn1 ZINC000895454135 583675596 /nfs/dbraw/zinc/67/55/96/583675596.db2.gz VDMSJAAGHNFJQV-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccns2)sn1 ZINC000895454135 583675599 /nfs/dbraw/zinc/67/55/99/583675599.db2.gz VDMSJAAGHNFJQV-UHFFFAOYSA-N 1 2 239.369 2.540 20 0 BFADLO FC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000895571971 583692319 /nfs/dbraw/zinc/69/23/19/583692319.db2.gz CZXYQHZPZCXPTG-QMMMGPOBSA-N 1 2 246.688 2.666 20 0 BFADLO FC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000895571971 583692320 /nfs/dbraw/zinc/69/23/20/583692320.db2.gz CZXYQHZPZCXPTG-QMMMGPOBSA-N 1 2 246.688 2.666 20 0 BFADLO COC(C)(C)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000895783584 583727152 /nfs/dbraw/zinc/72/71/52/583727152.db2.gz RRFJJOCTIZSUCZ-VIFPVBQESA-N 1 2 235.331 2.579 20 0 BFADLO CC1(C)C[NH+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895826141 583733191 /nfs/dbraw/zinc/73/31/91/583733191.db2.gz SITAKMSUWTZIOF-UHFFFAOYSA-N 1 2 239.750 2.782 20 0 BFADLO Cc1sccc1C[NH+]1CC(OC(C)C)C1 ZINC000895954989 583752099 /nfs/dbraw/zinc/75/20/99/583752099.db2.gz LBACZYXKTXDGQG-UHFFFAOYSA-N 1 2 225.357 2.666 20 0 BFADLO CC[C@@H](CC(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977812 588926545 /nfs/dbraw/zinc/92/65/45/588926545.db2.gz ZSJCBETUAPFEQV-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)[C@H](C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857979983 588927694 /nfs/dbraw/zinc/92/76/94/588927694.db2.gz HQWLBGYOWYUTHN-CMPLNLGQSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1cnc(CNc2nc[nH+]c(C)c2C)c(C)c1 ZINC000896099076 583770262 /nfs/dbraw/zinc/77/02/62/583770262.db2.gz SGDFVLMWVRMKRI-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO c1ccc(NCCN2CCc3ccccc32)[nH+]c1 ZINC000896104928 583771925 /nfs/dbraw/zinc/77/19/25/583771925.db2.gz IAQCJAZQBOPKPO-UHFFFAOYSA-N 1 2 239.322 2.556 20 0 BFADLO Cc1nc(NC[C@H]2CCCC3(CCC3)O2)cc[nH+]1 ZINC000896169712 583777170 /nfs/dbraw/zinc/77/71/70/583777170.db2.gz GOCQXVWAASCKAI-GFCCVEGCSA-N 1 2 247.342 2.689 20 0 BFADLO CC[C@@H](CC(=O)N[C@H]1CCn2c[nH+]cc21)C(C)C ZINC000857985337 588928702 /nfs/dbraw/zinc/92/87/02/588928702.db2.gz HECTZBTULOXBQR-RYUDHWBXSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCS[C@@H](C)C2)c1C ZINC000896247697 583785531 /nfs/dbraw/zinc/78/55/31/583785531.db2.gz RRCPVYVKSYMOPE-KWQFWETISA-N 1 2 237.372 2.789 20 0 BFADLO CC[C@H](CC(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857985340 588929499 /nfs/dbraw/zinc/92/94/99/588929499.db2.gz HECTZBTULOXBQR-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998314 588930294 /nfs/dbraw/zinc/93/02/94/588930294.db2.gz QTFYXZBXAJEUJT-LLVKDONJSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(N[C@@H]2CCCc3cccnc32)nc[nH+]1 ZINC000896411726 583800528 /nfs/dbraw/zinc/80/05/28/583800528.db2.gz SMZVKTTUINWTRL-GFCCVEGCSA-N 1 2 240.310 2.670 20 0 BFADLO CCC[C@H](C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857998316 588930639 /nfs/dbraw/zinc/93/06/39/588930639.db2.gz QTFYXZBXAJEUJT-NSHDSACASA-N 1 2 247.342 2.585 20 0 BFADLO c1ccc(N2CCC[C@H](C3CCOCC3)C2)[nH+]c1 ZINC000896585945 583815854 /nfs/dbraw/zinc/81/58/54/583815854.db2.gz GCGWAVKWYYVEJC-AWEZNQCLSA-N 1 2 246.354 2.725 20 0 BFADLO C[C@@H]([NH2+]Cc1ccnc(F)c1)c1nccs1 ZINC000858128570 588934410 /nfs/dbraw/zinc/93/44/10/588934410.db2.gz UEZSFRTZIFBUMN-MRVPVSSYSA-N 1 2 237.303 2.528 20 0 BFADLO CCc1onc(C)c1CNc1[nH+]cccc1OC ZINC000896664217 583821684 /nfs/dbraw/zinc/82/16/84/583821684.db2.gz TUFMJKPMPRQQQQ-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO C[C@@H](O)c1ccc(NCC(C)(C)C2CC2)[nH+]c1 ZINC000896783929 583833224 /nfs/dbraw/zinc/83/32/24/583833224.db2.gz RMXWWHLDYDWGKY-SNVBAGLBSA-N 1 2 234.343 2.983 20 0 BFADLO Cc1cc(NCC(C)(C)C2CCOCC2)nc[nH+]1 ZINC000896784947 583833263 /nfs/dbraw/zinc/83/32/63/583833263.db2.gz AGJBHUPAYZLNGE-UHFFFAOYSA-N 1 2 249.358 2.650 20 0 BFADLO Cc1[nH]c(CNC(=O)CC2=CCCCC2)[nH+]c1C ZINC000896920233 583857726 /nfs/dbraw/zinc/85/77/26/583857726.db2.gz KABJJQKBHJWFKR-UHFFFAOYSA-N 1 2 247.342 2.533 20 0 BFADLO CCCCCCC(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC000896928308 583859405 /nfs/dbraw/zinc/85/94/05/583859405.db2.gz SPLMSJCMUDRCJS-UHFFFAOYSA-N 1 2 237.347 2.613 20 0 BFADLO CC1(C)C[C@H](Nc2cc[nH+]cc2F)CCS1 ZINC000897062562 583876587 /nfs/dbraw/zinc/87/65/87/583876587.db2.gz HMRCQGFESWEFTN-SECBINFHSA-N 1 2 240.347 2.729 20 0 BFADLO Fc1c[nH+]ccc1N(Cc1ccoc1)C1CC1 ZINC000897109356 583880945 /nfs/dbraw/zinc/88/09/45/583880945.db2.gz MPQZYPFDBJDTDL-UHFFFAOYSA-N 1 2 232.258 2.983 20 0 BFADLO Cc1cc(Nc2cnn(C3CCC3)c2)nc(C)[nH+]1 ZINC000897102848 583881053 /nfs/dbraw/zinc/88/10/53/583881053.db2.gz NTOQWNCCONCOER-UHFFFAOYSA-N 1 2 243.314 2.759 20 0 BFADLO CCc1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000897176521 583889115 /nfs/dbraw/zinc/88/91/15/583889115.db2.gz ZCCAFZZEXQUKCZ-OUAUKWLOSA-N 1 2 217.316 2.640 20 0 BFADLO c1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc(C2CC2)[nH+]1 ZINC000897182279 583892392 /nfs/dbraw/zinc/89/23/92/583892392.db2.gz YTYUMQMINQMAHJ-SDDRHHMPSA-N 1 2 229.327 2.955 20 0 BFADLO Cc1ccc(Cc2nc(CCCCF)no2)c[nH+]1 ZINC000897211663 583896737 /nfs/dbraw/zinc/89/67/37/583896737.db2.gz FBJLEQQLXCBXAA-UHFFFAOYSA-N 1 2 249.289 2.656 20 0 BFADLO CCc1nc(NC[C@H]2CCCC(C)(C)O2)cc[nH+]1 ZINC000897254709 583904477 /nfs/dbraw/zinc/90/44/77/583904477.db2.gz TYGKLRBSPYUFMW-LLVKDONJSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1cc(N[C@@H]2CCOC23CCCC3)nc[nH+]1 ZINC000897322320 583922003 /nfs/dbraw/zinc/92/20/03/583922003.db2.gz CFFUEZCAGPMPIC-GFCCVEGCSA-N 1 2 247.342 2.553 20 0 BFADLO CCc1cc(N[C@H]2CCOC23CCCC3)nc[nH+]1 ZINC000897322321 583922103 /nfs/dbraw/zinc/92/21/03/583922103.db2.gz CFFUEZCAGPMPIC-LBPRGKRZSA-N 1 2 247.342 2.553 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000840725609 583934464 /nfs/dbraw/zinc/93/44/64/583934464.db2.gz BOZDVUXJZNMJTF-LLVKDONJSA-N 1 2 247.317 2.718 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1C[C@@H](C)[C@@H]1C ZINC000888131478 583968734 /nfs/dbraw/zinc/96/87/34/583968734.db2.gz ONKUWYWSETXASK-KOLCDFICSA-N 1 2 233.315 2.571 20 0 BFADLO Cl/C=C\CNc1cc[nH+]c(C2CC2)n1 ZINC000897505067 583998340 /nfs/dbraw/zinc/99/83/40/583998340.db2.gz HWUZOYKAGPOTSZ-KTAJNNJTSA-N 1 2 209.680 2.518 20 0 BFADLO CC(C)c1c[nH+]cc(N[C@H]2CCCOC2)c1 ZINC000897707390 584041795 /nfs/dbraw/zinc/04/17/95/584041795.db2.gz MUFPPRBCFLDZPS-LBPRGKRZSA-N 1 2 220.316 2.796 20 0 BFADLO Cc1cnc(C[NH+]2CC(Cc3ccoc3)C2)s1 ZINC000898160117 584087886 /nfs/dbraw/zinc/08/78/86/584087886.db2.gz RUMAHKBUGYNHQR-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO COc1ccc([NH2+]CC(C)(C)C)cc1N ZINC000841040982 584117190 /nfs/dbraw/zinc/11/71/90/584117190.db2.gz WUHJJFRWWSNMFI-UHFFFAOYSA-N 1 2 208.305 2.735 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccns1 ZINC000858575631 588967970 /nfs/dbraw/zinc/96/79/70/588967970.db2.gz CELXSPHKOGVWNL-VHSXEESVSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)[C@H]([NH2+]CCCCF)C(F)(F)F ZINC000901412847 584440868 /nfs/dbraw/zinc/44/08/68/584440868.db2.gz OCICLSVKLUOQDT-QMMMGPOBSA-N 1 2 215.234 2.913 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCCCCCO)ccc2O1 ZINC000901446646 584447367 /nfs/dbraw/zinc/44/73/67/584447367.db2.gz IRFPMKKQAVJWMS-GFCCVEGCSA-N 1 2 249.354 2.975 20 0 BFADLO CO[C@H]1C[C@@H](C[NH2+]c2ccc3c(c2)C[C@H](C)O3)C1 ZINC000901446891 584447395 /nfs/dbraw/zinc/44/73/95/584447395.db2.gz LJGNDIWIDFIUKC-COPLHBTASA-N 1 2 247.338 2.847 20 0 BFADLO CC1CC(CSCCn2cc[nH+]c2)C1 ZINC000901884730 584502675 /nfs/dbraw/zinc/50/26/75/584502675.db2.gz WEAFOHQCLXTMKK-UHFFFAOYSA-N 1 2 210.346 2.662 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@]23CCOC3)c(C)c1 ZINC000901982255 584512122 /nfs/dbraw/zinc/51/21/22/584512122.db2.gz PPYDLTHSBFFBOK-DOMZBBRYSA-N 1 2 247.338 2.842 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2OC)c1 ZINC000902076164 584519862 /nfs/dbraw/zinc/51/98/62/584519862.db2.gz IIUXXZBMKDLGSR-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)cc2OC)c1 ZINC000902079321 584520470 /nfs/dbraw/zinc/52/04/70/584520470.db2.gz OFHVDGXRMQBLRN-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(OC)c(F)c2)c1 ZINC000902082332 584521369 /nfs/dbraw/zinc/52/13/69/584521369.db2.gz GOFQMZWIIUNPJZ-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCNc1ccccc1C[NH2+]Cc1cc(C)on1 ZINC000902104295 584523868 /nfs/dbraw/zinc/52/38/68/584523868.db2.gz OGJPCUMWSQPWFL-UHFFFAOYSA-N 1 2 245.326 2.705 20 0 BFADLO Cc1sccc1CNc1cc(C)[nH+]cn1 ZINC000902196616 584536643 /nfs/dbraw/zinc/53/66/43/584536643.db2.gz VVTMCRAPKSUYCB-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC(C)(C)c1ccc(NCc2[nH]cc[nH+]2)cn1 ZINC000902302536 584553600 /nfs/dbraw/zinc/55/36/00/584553600.db2.gz VROQOIOUIKGOGK-UHFFFAOYSA-N 1 2 230.315 2.714 20 0 BFADLO Cc1nonc1CSCc1ccc(C)[nH+]c1C ZINC000902368935 584566311 /nfs/dbraw/zinc/56/63/11/584566311.db2.gz KGVZKVUGVCXXLN-UHFFFAOYSA-N 1 2 249.339 2.823 20 0 BFADLO Cc1nsc(C)c1COc1cc[nH+]cc1 ZINC000902357954 584570144 /nfs/dbraw/zinc/57/01/44/584570144.db2.gz ZFQJWQHBYOXDPY-UHFFFAOYSA-N 1 2 220.297 2.734 20 0 BFADLO CCn1c[nH+]c(CNc2n[nH]c(C(C)C)c2C)c1 ZINC000902604413 584641984 /nfs/dbraw/zinc/64/19/84/584641984.db2.gz MBLRFSJBEUAEOR-UHFFFAOYSA-N 1 2 247.346 2.670 20 0 BFADLO CCn1c[nH+]c(CNc2cccnc2C2CC2)c1 ZINC000902695584 584656772 /nfs/dbraw/zinc/65/67/72/584656772.db2.gz WCNCVOXAISQYDP-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO Cn1c[nH+]c2cc(OCC3CC=CC3)ccc21 ZINC000902781028 584670059 /nfs/dbraw/zinc/67/00/59/584670059.db2.gz CCSZITHGBFMBHE-UHFFFAOYSA-N 1 2 228.295 2.918 20 0 BFADLO CCSCCOc1ccc2c(c1)[nH+]cn2C ZINC000902781068 584670403 /nfs/dbraw/zinc/67/04/03/584670403.db2.gz DESIDSXLACUOQS-UHFFFAOYSA-N 1 2 236.340 2.705 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC[C@H](F)C2)nc1 ZINC000902991913 584710327 /nfs/dbraw/zinc/71/03/27/584710327.db2.gz FFYYOJXLTYHPGE-LBPRGKRZSA-N 1 2 222.307 2.578 20 0 BFADLO CCc1ccc(C[N@H+]2CCC[C@H](F)C2)nc1 ZINC000902991913 584710328 /nfs/dbraw/zinc/71/03/28/584710328.db2.gz FFYYOJXLTYHPGE-LBPRGKRZSA-N 1 2 222.307 2.578 20 0 BFADLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccoc1 ZINC000903325450 584748190 /nfs/dbraw/zinc/74/81/90/584748190.db2.gz HAENTYVBVOCBHG-GXFFZTMASA-N 1 2 243.310 2.872 20 0 BFADLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ncc[nH]1 ZINC000903336451 584751408 /nfs/dbraw/zinc/75/14/08/584751408.db2.gz YNPPBJJRZMAISJ-GXFFZTMASA-N 1 2 242.326 2.607 20 0 BFADLO CC(C)c1ccc(N[C@H]2CCn3cc[nH+]c32)cn1 ZINC000903338670 584751703 /nfs/dbraw/zinc/75/17/03/584751703.db2.gz GEPCEYSGKKMLQI-ZDUSSCGKSA-N 1 2 242.326 2.958 20 0 BFADLO Cc1ccc(SCCN2CC=CC[NH2+]2)cc1C ZINC000903488721 584780602 /nfs/dbraw/zinc/78/06/02/584780602.db2.gz TVZIAQIIVMMCLL-UHFFFAOYSA-N 1 2 248.395 2.772 20 0 BFADLO CC[NH2+]Cc1noc([C@@]2(C)CCC[C@H]2CC)n1 ZINC000904075759 584839625 /nfs/dbraw/zinc/83/96/25/584839625.db2.gz QABKESHUPDUMQV-MFKMUULPSA-N 1 2 237.347 2.647 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2CCC=CCCC2)n1 ZINC000904075791 584839716 /nfs/dbraw/zinc/83/97/16/584839716.db2.gz RKEGDYIFVQDGTH-NSHDSACASA-N 1 2 235.331 2.783 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000732197504 584934665 /nfs/dbraw/zinc/93/46/65/584934665.db2.gz RJMTWECEMVZTAG-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncc[nH]2)Cc2ccccc21 ZINC000732197504 584934666 /nfs/dbraw/zinc/93/46/66/584934666.db2.gz RJMTWECEMVZTAG-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000733897069 584954732 /nfs/dbraw/zinc/95/47/32/584954732.db2.gz CWACPNBGARXBRP-ZETCQYMHSA-N 1 2 213.218 2.761 20 0 BFADLO C[C@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000733897069 584954733 /nfs/dbraw/zinc/95/47/33/584954733.db2.gz CWACPNBGARXBRP-ZETCQYMHSA-N 1 2 213.218 2.761 20 0 BFADLO CC(C)(C)/C=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000735055360 584972209 /nfs/dbraw/zinc/97/22/09/584972209.db2.gz YPHXBFCIUWMFEN-SREVYHEPSA-N 1 2 243.310 2.875 20 0 BFADLO C[N@H+](CC(C)(C)C)CC(F)(F)C(F)F ZINC000736619869 585008037 /nfs/dbraw/zinc/00/80/37/585008037.db2.gz QNFQKRPIIPDUMQ-UHFFFAOYSA-N 1 2 215.234 2.865 20 0 BFADLO C[N@@H+](CC(C)(C)C)CC(F)(F)C(F)F ZINC000736619869 585008038 /nfs/dbraw/zinc/00/80/38/585008038.db2.gz QNFQKRPIIPDUMQ-UHFFFAOYSA-N 1 2 215.234 2.865 20 0 BFADLO CC(C)(C)CCCC(=O)OCCn1cc[nH+]c1 ZINC000771947209 585011745 /nfs/dbraw/zinc/01/17/45/585011745.db2.gz ABPPBDPGDLKRRB-UHFFFAOYSA-N 1 2 238.331 2.643 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@H](C)C1CCC1 ZINC000838385952 585055404 /nfs/dbraw/zinc/05/54/04/585055404.db2.gz NFAMXJGAWCBOMY-SNVBAGLBSA-N 1 2 249.310 2.570 20 0 BFADLO CC(C)C1(O)C[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000839132561 585094029 /nfs/dbraw/zinc/09/40/29/585094029.db2.gz IHWRADDWDIZMBZ-AAEUAGOBSA-N 1 2 249.354 2.606 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000740885302 585108058 /nfs/dbraw/zinc/10/80/58/585108058.db2.gz ZOCKLPSJBZHEIX-RNFRBKRXSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@@H]1C[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000740885302 585108059 /nfs/dbraw/zinc/10/80/59/585108059.db2.gz ZOCKLPSJBZHEIX-RNFRBKRXSA-N 1 2 213.218 2.617 20 0 BFADLO CC/C=C(\C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000741710633 585116986 /nfs/dbraw/zinc/11/69/86/585116986.db2.gz JZIYBBAEEMMOPJ-WUXMJOGZSA-N 1 2 249.358 2.512 20 0 BFADLO Cc1nc(N2Cc3ccccc3[C@H](C)C2)cc[nH+]1 ZINC000742389586 585125560 /nfs/dbraw/zinc/12/55/60/585125560.db2.gz KAJLJAYDGVJVRO-LLVKDONJSA-N 1 2 239.322 2.909 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000742725163 585130750 /nfs/dbraw/zinc/13/07/50/585130750.db2.gz HJTNDHLNZNQOTO-OAHLLOKOSA-N 1 2 241.338 2.804 20 0 BFADLO C[N@H+](CCF)Cc1nc2ccccc2s1 ZINC000746500452 585169501 /nfs/dbraw/zinc/16/95/01/585169501.db2.gz VMTIGWPLJUPNTK-UHFFFAOYSA-N 1 2 224.304 2.698 20 0 BFADLO C[N@@H+](CCF)Cc1nc2ccccc2s1 ZINC000746500452 585169502 /nfs/dbraw/zinc/16/95/02/585169502.db2.gz VMTIGWPLJUPNTK-UHFFFAOYSA-N 1 2 224.304 2.698 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000749983882 585209026 /nfs/dbraw/zinc/20/90/26/585209026.db2.gz QUKSYMULEDBXQX-JXMROGBWSA-N 1 2 247.342 2.751 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cn1sc2ccccc2c1=O ZINC000751925428 585239286 /nfs/dbraw/zinc/23/92/86/585239286.db2.gz PKCNVZBWLOTXCY-SNVBAGLBSA-N 1 2 248.351 2.505 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cn1sc2ccccc2c1=O ZINC000751925428 585239287 /nfs/dbraw/zinc/23/92/87/585239287.db2.gz PKCNVZBWLOTXCY-SNVBAGLBSA-N 1 2 248.351 2.505 20 0 BFADLO CC1(C)CCC(=CC(=O)NCc2c[nH+]c[nH]2)CC1 ZINC000751990117 585240251 /nfs/dbraw/zinc/24/02/51/585240251.db2.gz YZPZYXQXBNOQIA-UHFFFAOYSA-N 1 2 247.342 2.553 20 0 BFADLO CC1(C)CCC(=CC(=O)NCc2c[nH]c[nH+]2)CC1 ZINC000751990117 585240252 /nfs/dbraw/zinc/24/02/52/585240252.db2.gz YZPZYXQXBNOQIA-UHFFFAOYSA-N 1 2 247.342 2.553 20 0 BFADLO C/C=C/C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000752460208 585246220 /nfs/dbraw/zinc/24/62/20/585246220.db2.gz IZNDVDZAVIRSSV-AATRIKPKSA-N 1 2 234.299 2.774 20 0 BFADLO C[C@H](CCC(C)(C)C)C(=O)NC1=[NH+]CCS1 ZINC000754058200 585276687 /nfs/dbraw/zinc/27/66/87/585276687.db2.gz MZQWYECBADQUCP-SECBINFHSA-N 1 2 242.388 2.668 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@H]2C)cc1NC(C)=O ZINC000754129426 585279155 /nfs/dbraw/zinc/27/91/55/585279155.db2.gz QBFZVFNNRHYNBT-KOLCDFICSA-N 1 2 248.326 2.722 20 0 BFADLO CCCCO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000754276081 585281730 /nfs/dbraw/zinc/28/17/30/585281730.db2.gz AZLFSIIUSZTXFU-UHFFFAOYSA-N 1 2 224.279 2.781 20 0 BFADLO CC(C)[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000755998524 585312636 /nfs/dbraw/zinc/31/26/36/585312636.db2.gz YAJUVRGREZUPKX-QMMMGPOBSA-N 1 2 227.245 2.865 20 0 BFADLO CC(C)[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000755998524 585312637 /nfs/dbraw/zinc/31/26/37/585312637.db2.gz YAJUVRGREZUPKX-QMMMGPOBSA-N 1 2 227.245 2.865 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccon1)c1cccnc1 ZINC000756635810 585321954 /nfs/dbraw/zinc/32/19/54/585321954.db2.gz HOGCFIVTDCGAMP-ZDUSSCGKSA-N 1 2 231.299 2.701 20 0 BFADLO Cc1ccc2[nH+]c(COC(=O)CC(C)C)cn2c1 ZINC000757998954 585347995 /nfs/dbraw/zinc/34/79/95/585347995.db2.gz ZGTQFCPZWAZNRB-UHFFFAOYSA-N 1 2 246.310 2.732 20 0 BFADLO Cc1cnc(=S)n(C[N@H+]2CC=C(C)CC2)c1 ZINC000758358734 585354524 /nfs/dbraw/zinc/35/45/24/585354524.db2.gz VNEHBYAVQWLQMM-UHFFFAOYSA-N 1 2 235.356 2.531 20 0 BFADLO Cc1cnc(=S)n(C[N@@H+]2CC=C(C)CC2)c1 ZINC000758358734 585354525 /nfs/dbraw/zinc/35/45/25/585354525.db2.gz VNEHBYAVQWLQMM-UHFFFAOYSA-N 1 2 235.356 2.531 20 0 BFADLO CC(C)OCC(N)=[NH+]OCC1CCC(C)CC1 ZINC000758764217 585359772 /nfs/dbraw/zinc/35/97/72/585359772.db2.gz XVDFMJVHCDKLGH-UHFFFAOYSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C[C@@H]2CCOC2)cc[nH+]1 ZINC000759700885 585378883 /nfs/dbraw/zinc/37/88/83/585378883.db2.gz ZSIWKLWBHBXAGN-RYUDHWBXSA-N 1 2 249.358 2.827 20 0 BFADLO CC(C)c1nc(N[C@@H](C)C[C@H]2CCOC2)cc[nH+]1 ZINC000759700884 585378983 /nfs/dbraw/zinc/37/89/83/585378983.db2.gz ZSIWKLWBHBXAGN-NWDGAFQWSA-N 1 2 249.358 2.827 20 0 BFADLO Cc1nc(SCCn2cc[nH+]c2)sc1C ZINC000762193957 585428966 /nfs/dbraw/zinc/42/89/66/585428966.db2.gz DVDZQQYGMXPEFQ-UHFFFAOYSA-N 1 2 239.369 2.749 20 0 BFADLO C[C@@H]1C[C@@H]1c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000762254658 585430247 /nfs/dbraw/zinc/43/02/47/585430247.db2.gz OJJDYXKFFBEKSL-SCZZXKLOSA-N 1 2 240.266 2.508 20 0 BFADLO NC(=[NH+]OC/C(Cl)=C/Cl)c1ccccc1 ZINC000763164556 585443708 /nfs/dbraw/zinc/44/37/08/585443708.db2.gz WNLRMOXITSVSHU-TWGQIWQCSA-N 1 2 245.109 2.852 20 0 BFADLO CCO[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763562813 585450909 /nfs/dbraw/zinc/45/09/09/585450909.db2.gz YKQRPVXGYWMROI-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO CCO[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000763562813 585450910 /nfs/dbraw/zinc/45/09/10/585450910.db2.gz YKQRPVXGYWMROI-ABRRARGCSA-N 1 2 238.158 2.806 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000764485932 585466629 /nfs/dbraw/zinc/46/66/29/585466629.db2.gz PQQZWBAPADETDQ-MRVPVSSYSA-N 1 2 225.229 2.619 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000764485932 585466630 /nfs/dbraw/zinc/46/66/30/585466630.db2.gz PQQZWBAPADETDQ-MRVPVSSYSA-N 1 2 225.229 2.619 20 0 BFADLO CCC[C@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000764661373 585470320 /nfs/dbraw/zinc/47/03/20/585470320.db2.gz ADJHWRPZKWMXKW-LBPRGKRZSA-N 1 2 238.331 2.536 20 0 BFADLO Cc1cccc(C[N@H+](C)C/C=C\Cl)n1 ZINC000767900109 585527943 /nfs/dbraw/zinc/52/79/43/585527943.db2.gz OXROGGWUJREAJG-DAXSKMNVSA-N 1 2 210.708 2.574 20 0 BFADLO Cc1cccc(C[N@@H+](C)C/C=C\Cl)n1 ZINC000767900109 585527944 /nfs/dbraw/zinc/52/79/44/585527944.db2.gz OXROGGWUJREAJG-DAXSKMNVSA-N 1 2 210.708 2.574 20 0 BFADLO c1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)co1 ZINC000768238627 585534541 /nfs/dbraw/zinc/53/45/41/585534541.db2.gz RRRUEQKBTRNTLQ-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO c1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)co1 ZINC000768238627 585534542 /nfs/dbraw/zinc/53/45/42/585534542.db2.gz RRRUEQKBTRNTLQ-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCc1ccccc1 ZINC000768932526 585546269 /nfs/dbraw/zinc/54/62/69/585546269.db2.gz OTXKFKCMOSPAQP-UHFFFAOYSA-N 1 2 236.315 2.500 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCC1CCCC1 ZINC000771862636 585602895 /nfs/dbraw/zinc/60/28/95/585602895.db2.gz DCFUYRUUGSYVKT-LLVKDONJSA-N 1 2 242.363 2.736 20 0 BFADLO Cc1ccc(COC(=O)c2ccco2)c(C)[nH+]1 ZINC000771884614 585603523 /nfs/dbraw/zinc/60/35/23/585603523.db2.gz OTXIDHZQOVNAHX-UHFFFAOYSA-N 1 2 231.251 2.648 20 0 BFADLO CC[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000771914614 585604263 /nfs/dbraw/zinc/60/42/63/585604263.db2.gz OYQCGNFBMBABES-SECBINFHSA-N 1 2 221.300 2.788 20 0 BFADLO CC1CCC(=CC(=O)OCCn2cc[nH+]c2)CC1 ZINC000771965538 585605679 /nfs/dbraw/zinc/60/56/79/585605679.db2.gz OWERESZVOHLUOW-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1ccc(COC(=O)CCC2CC2)c(C)[nH+]1 ZINC000772137385 585609067 /nfs/dbraw/zinc/60/90/67/585609067.db2.gz ZFLAJNXWCKKFNS-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO CCC1(C(=O)OCc2ccc(C)[nH+]c2C)CC1 ZINC000772167278 585609515 /nfs/dbraw/zinc/60/95/15/585609515.db2.gz JYSLQBGBYSNZBH-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000805522842 585665283 /nfs/dbraw/zinc/66/52/83/585665283.db2.gz GVZDGBUKUMNRFH-GHMZBOCLSA-N 1 2 249.310 2.570 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@H]1CC[C@H](C)C1 ZINC000805522847 585665413 /nfs/dbraw/zinc/66/54/13/585665413.db2.gz GVZDGBUKUMNRFH-QWRGUYRKSA-N 1 2 249.310 2.570 20 0 BFADLO CC[C@@](C)([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000775388048 585676983 /nfs/dbraw/zinc/67/69/83/585676983.db2.gz NIICEZRYSLCDJV-CQSZACIVSA-N 1 2 245.326 2.793 20 0 BFADLO Cc1nc([C@H]2CCC[N@@H+]2CCF)cs1 ZINC000775730478 585683614 /nfs/dbraw/zinc/68/36/14/585683614.db2.gz LUBYHZLYWUPBOL-SNVBAGLBSA-N 1 2 214.309 2.558 20 0 BFADLO Cc1nc([C@H]2CCC[N@H+]2CCF)cs1 ZINC000775730478 585683615 /nfs/dbraw/zinc/68/36/15/585683615.db2.gz LUBYHZLYWUPBOL-SNVBAGLBSA-N 1 2 214.309 2.558 20 0 BFADLO CC(C)COC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000776593494 585702325 /nfs/dbraw/zinc/70/23/25/585702325.db2.gz WZVWZGOCGZLYKN-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO CC(C)COC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000776593494 585702326 /nfs/dbraw/zinc/70/23/26/585702326.db2.gz WZVWZGOCGZLYKN-AWEZNQCLSA-N 1 2 247.338 2.633 20 0 BFADLO Clc1ccc2c(c1)CC[C@@H]2[NH+]1CCOCC1 ZINC000777401229 585711415 /nfs/dbraw/zinc/71/14/15/585711415.db2.gz MIFGVYYIKOHMSI-ZDUSSCGKSA-N 1 2 237.730 2.660 20 0 BFADLO Cl/C=C(/Cl)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000778229188 585728522 /nfs/dbraw/zinc/72/85/22/585728522.db2.gz WZLSDQGBGPEMSM-ORZBULNSSA-N 1 2 246.141 2.866 20 0 BFADLO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC=C(F)C2)c1 ZINC000778959945 585742991 /nfs/dbraw/zinc/74/29/91/585742991.db2.gz FQSKIONUPQTOJJ-OAHLLOKOSA-N 1 2 249.329 2.896 20 0 BFADLO Cc1cc(C)cc([C@H](O)C[N@H+]2CCC=C(F)C2)c1 ZINC000778959945 585742992 /nfs/dbraw/zinc/74/29/92/585742992.db2.gz FQSKIONUPQTOJJ-OAHLLOKOSA-N 1 2 249.329 2.896 20 0 BFADLO Cc1ccc(OCC[N@@H+]2CCC=C(F)C2)cc1 ZINC000778961035 585743263 /nfs/dbraw/zinc/74/32/63/585743263.db2.gz QJDKRRJBORDTKI-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1ccc(OCC[N@H+]2CCC=C(F)C2)cc1 ZINC000778961035 585743264 /nfs/dbraw/zinc/74/32/64/585743264.db2.gz QJDKRRJBORDTKI-UHFFFAOYSA-N 1 2 235.302 2.933 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2ccc(F)nc2)n1 ZINC000779158394 585745478 /nfs/dbraw/zinc/74/54/78/585745478.db2.gz QGTDTPJPNITCIL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2ccc(F)nc2)n1 ZINC000779158394 585745479 /nfs/dbraw/zinc/74/54/79/585745479.db2.gz QGTDTPJPNITCIL-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCSCc1cc[nH+]c(N[C@@H](C)CCO)c1 ZINC000779419931 585754536 /nfs/dbraw/zinc/75/45/36/585754536.db2.gz JXMIFQRQNXXPMA-JTQLQIEISA-N 1 2 240.372 2.518 20 0 BFADLO CC(C)(C)c1nc(NC[C@@H]2CCC=CO2)cc[nH+]1 ZINC000780622954 585782508 /nfs/dbraw/zinc/78/25/08/585782508.db2.gz QWEGFPQZFOSETI-NSHDSACASA-N 1 2 247.342 2.879 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC=CO2)cc[nH+]1 ZINC000780621597 585782527 /nfs/dbraw/zinc/78/25/27/585782527.db2.gz GYCCCOWBDGOWHD-NSHDSACASA-N 1 2 233.315 2.705 20 0 BFADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000780739887 585784123 /nfs/dbraw/zinc/78/41/23/585784123.db2.gz MONKEMWEVLFPPI-STQMWFEESA-N 1 2 248.370 2.980 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000780739887 585784124 /nfs/dbraw/zinc/78/41/24/585784124.db2.gz MONKEMWEVLFPPI-STQMWFEESA-N 1 2 248.370 2.980 20 0 BFADLO CC/C(C)=C(\C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000781011929 585788440 /nfs/dbraw/zinc/78/84/40/585788440.db2.gz AIYURIIZUANLMY-HCRIHEDKSA-N 1 2 247.342 2.820 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCC[C@@H](C)C1 ZINC000781612582 585800481 /nfs/dbraw/zinc/80/04/81/585800481.db2.gz LHHKMOIYKSICCY-NEPJUHHUSA-N 1 2 242.363 2.736 20 0 BFADLO CC/C=C(\C)C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000782146927 585808442 /nfs/dbraw/zinc/80/84/42/585808442.db2.gz KHKYOFWWKZJYBN-IZZDOVSWSA-N 1 2 248.326 2.547 20 0 BFADLO Cc1cc([NH2+]CC(C)(C)C)ccc1OCCO ZINC000782393502 585816953 /nfs/dbraw/zinc/81/69/53/585816953.db2.gz JOSVIAWXZMBOSB-UHFFFAOYSA-N 1 2 237.343 2.824 20 0 BFADLO CC[C@@H](C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783157285 585828605 /nfs/dbraw/zinc/82/86/05/585828605.db2.gz PRGUCIXTHQLNDP-SNVBAGLBSA-N 1 2 238.306 2.913 20 0 BFADLO Cc1cc(NCC[C@H]2CCOC2)ccc1[NH+](C)C ZINC000783582626 585837557 /nfs/dbraw/zinc/83/75/57/585837557.db2.gz PRHXAPXUKKFYPY-ZDUSSCGKSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](F)C(C)C)c(C)[nH+]1 ZINC000784132381 585850736 /nfs/dbraw/zinc/85/07/36/585850736.db2.gz SIMHXQDHSNBHHO-NSHDSACASA-N 1 2 224.279 2.631 20 0 BFADLO CC1(C[NH2+]c2ccc(OC3COC3)cc2)CC1 ZINC000785518246 585875256 /nfs/dbraw/zinc/87/52/56/585875256.db2.gz RBMXAIOLWWYCFJ-UHFFFAOYSA-N 1 2 233.311 2.676 20 0 BFADLO CCC[C@H](C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000785585651 585876146 /nfs/dbraw/zinc/87/61/46/585876146.db2.gz MCVBVIHEMSNSBP-IUCAKERBSA-N 1 2 211.309 2.596 20 0 BFADLO CCOC1CC([N@H+](C)C/C(Cl)=C\Cl)C1 ZINC000805820344 585897876 /nfs/dbraw/zinc/89/78/76/585897876.db2.gz LAISFRLHRATABA-SOFGYWHQSA-N 1 2 238.158 2.805 20 0 BFADLO CCOC1CC([N@@H+](C)C/C(Cl)=C\Cl)C1 ZINC000805820344 585897877 /nfs/dbraw/zinc/89/78/77/585897877.db2.gz LAISFRLHRATABA-SOFGYWHQSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000787266793 585904421 /nfs/dbraw/zinc/90/44/21/585904421.db2.gz GPDHNIGATUIATD-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000787266793 585904422 /nfs/dbraw/zinc/90/44/22/585904422.db2.gz GPDHNIGATUIATD-BXKDBHETSA-N 1 2 240.297 2.709 20 0 BFADLO C[N@H+](C/C=C/c1ccc(F)cc1)Cc1ncc[nH]1 ZINC000787770542 585915614 /nfs/dbraw/zinc/91/56/14/585915614.db2.gz SJBIVAKNWUGQII-NSCUHMNNSA-N 1 2 245.301 2.694 20 0 BFADLO C[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ncc[nH]1 ZINC000787770542 585915615 /nfs/dbraw/zinc/91/56/15/585915615.db2.gz SJBIVAKNWUGQII-NSCUHMNNSA-N 1 2 245.301 2.694 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OCCCCCF ZINC000789573873 585944057 /nfs/dbraw/zinc/94/40/57/585944057.db2.gz XSPVKOUHAMPGQM-UHFFFAOYSA-N 1 2 238.306 2.981 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]OCCCCCF ZINC000789594574 585945254 /nfs/dbraw/zinc/94/52/54/585945254.db2.gz FFRUMCLDFSQJTR-LLVKDONJSA-N 1 2 248.342 2.686 20 0 BFADLO Clc1ncc(COc2cc[nH+]cc2)s1 ZINC000789740955 585949073 /nfs/dbraw/zinc/94/90/73/585949073.db2.gz HMABOQVKHDUVQE-UHFFFAOYSA-N 1 2 226.688 2.771 20 0 BFADLO CC[C@@H](C)CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000790807437 585969047 /nfs/dbraw/zinc/96/90/47/585969047.db2.gz FNFFCVGHUSRFNY-SNVBAGLBSA-N 1 2 249.358 2.831 20 0 BFADLO CCCCCCC(=O)OCc1cc[nH+]c(N)c1 ZINC000791735822 585986824 /nfs/dbraw/zinc/98/68/24/585986824.db2.gz ARSXUGYCNAIWEV-UHFFFAOYSA-N 1 2 236.315 2.677 20 0 BFADLO C[C@@H]1CCC[C@@H]1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792141185 585996459 /nfs/dbraw/zinc/99/64/59/585996459.db2.gz LZOXQGHFFRLISF-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@@H]1CC(=O)OCc1cc[nH+]c(N)c1 ZINC000792141182 585996547 /nfs/dbraw/zinc/99/65/47/585996547.db2.gz LZOXQGHFFRLISF-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO CCCC[C@@H](C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000792295521 585999131 /nfs/dbraw/zinc/99/91/31/585999131.db2.gz UKFSHOAAHKFYBA-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO Cc1cc(-c2ccc3c(c2)CC(=O)N3)cc[nH+]1 ZINC000793367389 586017663 /nfs/dbraw/zinc/01/76/63/586017663.db2.gz KIMACLSTPIPWOM-UHFFFAOYSA-N 1 2 224.263 2.552 20 0 BFADLO Cc1nc(N2CCC(F)(F)CC2)c(C)c(C)[nH+]1 ZINC000795271090 586074067 /nfs/dbraw/zinc/07/40/67/586074067.db2.gz JRMRAFSAQBPFTH-UHFFFAOYSA-N 1 2 241.285 2.637 20 0 BFADLO CCC[C@@](C)(CC)C(=O)OCCn1cc[nH+]c1 ZINC000796327601 586100901 /nfs/dbraw/zinc/10/09/01/586100901.db2.gz INXPWYJYNAGOLS-CYBMUJFWSA-N 1 2 238.331 2.643 20 0 BFADLO CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000796918348 586116992 /nfs/dbraw/zinc/11/69/92/586116992.db2.gz KYBQWIYVNLWXTR-LSDHHAIUSA-N 1 2 249.354 2.904 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccnc(F)c1 ZINC000859314749 589030795 /nfs/dbraw/zinc/03/07/95/589030795.db2.gz RYQZEWPFSQSYFR-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccnc(F)c1 ZINC000859314749 589030797 /nfs/dbraw/zinc/03/07/97/589030797.db2.gz RYQZEWPFSQSYFR-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CC(C)C[C@H](C)CO[NH+]=C(N)COC(C)(C)C ZINC000799176156 586164706 /nfs/dbraw/zinc/16/47/06/586164706.db2.gz GHTKRISPTKWTFD-NSHDSACASA-N 1 2 244.379 2.982 20 0 BFADLO Cc1ccsc1C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000802654245 586307969 /nfs/dbraw/zinc/30/79/69/586307969.db2.gz WBKSGOXRBFPJGS-SECBINFHSA-N 1 2 247.310 2.522 20 0 BFADLO Cc1ccsc1C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000802654245 586307970 /nfs/dbraw/zinc/30/79/70/586307970.db2.gz WBKSGOXRBFPJGS-SECBINFHSA-N 1 2 247.310 2.522 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCO)cc1 ZINC000806157362 586406045 /nfs/dbraw/zinc/40/60/45/586406045.db2.gz QTYULORSKGGEEZ-FZMZJTMJSA-N 1 2 235.327 2.658 20 0 BFADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OC)c(CO)c1 ZINC000806158536 586406121 /nfs/dbraw/zinc/40/61/21/586406121.db2.gz ZTYXJHWHHAZHMA-MFKMUULPSA-N 1 2 235.327 2.788 20 0 BFADLO CC[NH2+]Cc1noc(CCCC2CCCC2)n1 ZINC000843145123 586444197 /nfs/dbraw/zinc/44/41/97/586444197.db2.gz USVQROZQQNXCOM-UHFFFAOYSA-N 1 2 237.347 2.692 20 0 BFADLO F[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000840103732 586446906 /nfs/dbraw/zinc/44/69/06/586446906.db2.gz OJVWKIRTMYVEGN-CQSZACIVSA-N 1 2 245.301 2.551 20 0 BFADLO F[C@@H]1CC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000840103732 586446908 /nfs/dbraw/zinc/44/69/08/586446908.db2.gz OJVWKIRTMYVEGN-CQSZACIVSA-N 1 2 245.301 2.551 20 0 BFADLO CC1CC([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000809714489 586514217 /nfs/dbraw/zinc/51/42/17/586514217.db2.gz JXQRFMPQEFPEPW-UHFFFAOYSA-N 1 2 235.327 2.658 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(OCCCO)cc1 ZINC000809714280 586514396 /nfs/dbraw/zinc/51/43/96/586514396.db2.gz DEWSRPSGHHEJIT-NEPJUHHUSA-N 1 2 235.327 2.516 20 0 BFADLO COc1ccc([NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1CO ZINC000813868107 586608344 /nfs/dbraw/zinc/60/83/44/586608344.db2.gz RFOMUMDHFYTDPO-OUJBWJOFSA-N 1 2 235.327 2.644 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)CCO)cc2)[C@@H]1C ZINC000813867509 586608348 /nfs/dbraw/zinc/60/83/48/586608348.db2.gz KRDALFXEDKVYJM-JMSVASOKSA-N 1 2 248.370 2.572 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OC3COC3)cc2)[C@@H]1C ZINC000813868654 586608414 /nfs/dbraw/zinc/60/84/14/586608414.db2.gz IWQHDBZCBGWTNS-UEKVPHQBSA-N 1 2 247.338 2.921 20 0 BFADLO Cc1ccccc1CC(N)=[NH+]OC1CCC1 ZINC000814264947 586620633 /nfs/dbraw/zinc/62/06/33/586620633.db2.gz JDHYTQXPTFPDLJ-UHFFFAOYSA-N 1 2 218.300 2.588 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@@H]1CC[C@H](C)C1 ZINC000815190683 586673376 /nfs/dbraw/zinc/67/33/76/586673376.db2.gz ZTKKXRYKJLTGKN-GXSJLCMTSA-N 1 2 248.326 2.777 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H]1CC[C@@H](C)C1 ZINC000815190687 586673459 /nfs/dbraw/zinc/67/34/59/586673459.db2.gz ZTKKXRYKJLTGKN-KOLCDFICSA-N 1 2 248.326 2.777 20 0 BFADLO Cn1ncc(C[N@H+](C)Cc2ccccc2)c1Cl ZINC000816477534 586734911 /nfs/dbraw/zinc/73/49/11/586734911.db2.gz BKHGIKZXNOVHHG-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ncc(C[N@@H+](C)Cc2ccccc2)c1Cl ZINC000816477534 586734914 /nfs/dbraw/zinc/73/49/14/586734914.db2.gz BKHGIKZXNOVHHG-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cscn1 ZINC000859832774 589064212 /nfs/dbraw/zinc/06/42/12/589064212.db2.gz JDEXPLNFEBNNMC-MRVPVSSYSA-N 1 2 232.299 2.763 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cscn1 ZINC000859832774 589064214 /nfs/dbraw/zinc/06/42/14/589064214.db2.gz JDEXPLNFEBNNMC-MRVPVSSYSA-N 1 2 232.299 2.763 20 0 BFADLO CCC[C@](C)(CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778427 586992939 /nfs/dbraw/zinc/99/29/39/586992939.db2.gz PKMRGBCCCKSALP-SKDRFNHKSA-N 1 2 242.388 2.810 20 0 BFADLO CC(C)CCCCC(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819782327 586994680 /nfs/dbraw/zinc/99/46/80/586994680.db2.gz SPWYWQGBAOZKGC-SNVBAGLBSA-N 1 2 242.388 2.810 20 0 BFADLO C[C@@H](NC(=O)C=C1CCC(C)CC1)c1[nH]cc[nH+]1 ZINC000820277103 587040008 /nfs/dbraw/zinc/04/00/08/587040008.db2.gz YKLKETZPLZRFAS-RRKGBCIJSA-N 1 2 247.342 2.723 20 0 BFADLO C[C@H]1CCCC[C@@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000820930560 587082189 /nfs/dbraw/zinc/08/21/89/587082189.db2.gz BNHZXBPKITWPJU-JQWIXIFHSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@H](CC(C)C)C(=O)NC1=[NH+]CCS1 ZINC000823671310 587235495 /nfs/dbraw/zinc/23/54/95/587235495.db2.gz KWMHRHFKHJXJPC-SNVBAGLBSA-N 1 2 242.388 2.668 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C=C1CCC1 ZINC000823836148 587241794 /nfs/dbraw/zinc/24/17/94/587241794.db2.gz FBUAODOWGYXXGO-UHFFFAOYSA-N 1 2 216.284 2.747 20 0 BFADLO CC[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000824429160 587269986 /nfs/dbraw/zinc/26/99/86/587269986.db2.gz YFPIQPLJUSKEEO-VIFPVBQESA-N 1 2 228.698 2.858 20 0 BFADLO CC[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000824429160 587269988 /nfs/dbraw/zinc/26/99/88/587269988.db2.gz YFPIQPLJUSKEEO-VIFPVBQESA-N 1 2 228.698 2.858 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@@H]2CCn3ccnc32)c1 ZINC000824526829 587273739 /nfs/dbraw/zinc/27/37/39/587273739.db2.gz PVAPWLGRKLXKLH-CYBMUJFWSA-N 1 2 245.301 2.565 20 0 BFADLO CC[C@H](C)N(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824652218 587281354 /nfs/dbraw/zinc/28/13/54/587281354.db2.gz XPZBUVUFJSDJAD-JTQLQIEISA-N 1 2 245.326 2.824 20 0 BFADLO CCc1nc(C[NH2+]Cc2cc(F)ccc2C)co1 ZINC000825057912 587301039 /nfs/dbraw/zinc/30/10/39/587301039.db2.gz RLPXNAAPKYCQBS-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CCc1nc(C[NH2+]Cc2csc(C)c2)co1 ZINC000825061283 587301911 /nfs/dbraw/zinc/30/19/11/587301911.db2.gz DOCBMBGYLORWEQ-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C(C)=C1CCC1 ZINC000825915270 587345144 /nfs/dbraw/zinc/34/51/44/587345144.db2.gz NOYJHJONRMCYGE-UHFFFAOYSA-N 1 2 230.311 2.505 20 0 BFADLO Cc1nonc1C[NH2+]Cc1cccc(C(C)C)c1 ZINC000825915914 587345222 /nfs/dbraw/zinc/34/52/22/587345222.db2.gz DRBKOXSAAWQCGM-UHFFFAOYSA-N 1 2 245.326 2.791 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnns2)Cc2ccccc21 ZINC000827361300 587378419 /nfs/dbraw/zinc/37/84/19/587378419.db2.gz UUQHQHNYYKRNPM-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnns2)Cc2ccccc21 ZINC000827361300 587378420 /nfs/dbraw/zinc/37/84/20/587378420.db2.gz UUQHQHNYYKRNPM-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO CC(C(=O)Nc1cc(C)[nH+]cc1C)=C1CCC1 ZINC000827491982 587383027 /nfs/dbraw/zinc/38/30/27/587383027.db2.gz RHQDNXIHZHBYRJ-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO CC(C)CC(=O)CC[N@H+](C)Cc1cscn1 ZINC000827808651 587403577 /nfs/dbraw/zinc/40/35/77/587403577.db2.gz NSUNELSRPOBJBV-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO CC(C)CC(=O)CC[N@@H+](C)Cc1cscn1 ZINC000827808651 587403578 /nfs/dbraw/zinc/40/35/78/587403578.db2.gz NSUNELSRPOBJBV-UHFFFAOYSA-N 1 2 240.372 2.580 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccoc2)C[C@@](C)(C(F)F)O1 ZINC000827962719 587413398 /nfs/dbraw/zinc/41/33/98/587413398.db2.gz RDSYVWHHEPMPNS-CABZTGNLSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccoc2)C[C@@](C)(C(F)F)O1 ZINC000827962719 587413399 /nfs/dbraw/zinc/41/33/99/587413399.db2.gz RDSYVWHHEPMPNS-CABZTGNLSA-N 1 2 245.269 2.524 20 0 BFADLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCF)nc2c1 ZINC000829864063 587526174 /nfs/dbraw/zinc/52/61/74/587526174.db2.gz JIEGWJJRLHZDAY-CYBMUJFWSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCF)nc2c1 ZINC000829864063 587526176 /nfs/dbraw/zinc/52/61/76/587526176.db2.gz JIEGWJJRLHZDAY-CYBMUJFWSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCF)[nH]c2c1 ZINC000829864063 587526177 /nfs/dbraw/zinc/52/61/77/587526177.db2.gz JIEGWJJRLHZDAY-CYBMUJFWSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2nc([C@H]3CCC[N@H+]3CCF)[nH]c2c1 ZINC000829864063 587526179 /nfs/dbraw/zinc/52/61/79/587526179.db2.gz JIEGWJJRLHZDAY-CYBMUJFWSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCF)nc2c1 ZINC000829864065 587526240 /nfs/dbraw/zinc/52/62/40/587526240.db2.gz JIEGWJJRLHZDAY-ZDUSSCGKSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCF)nc2c1 ZINC000829864065 587526241 /nfs/dbraw/zinc/52/62/41/587526241.db2.gz JIEGWJJRLHZDAY-ZDUSSCGKSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCF)[nH]c2c1 ZINC000829864065 587526242 /nfs/dbraw/zinc/52/62/42/587526242.db2.gz JIEGWJJRLHZDAY-ZDUSSCGKSA-N 1 2 247.317 2.978 20 0 BFADLO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCF)[nH]c2c1 ZINC000829864065 587526243 /nfs/dbraw/zinc/52/62/43/587526243.db2.gz JIEGWJJRLHZDAY-ZDUSSCGKSA-N 1 2 247.317 2.978 20 0 BFADLO CCn1cc([C@@H](C)[NH2+]C/C(Cl)=C\Cl)cn1 ZINC000832313279 587653598 /nfs/dbraw/zinc/65/35/98/587653598.db2.gz GAQXIHORDFNFJJ-OPWUTIMJSA-N 1 2 248.157 2.873 20 0 BFADLO c1cnc(Nc2ccc([NH+]3CCCC3)cc2)nc1 ZINC000835057187 587779752 /nfs/dbraw/zinc/77/97/52/587779752.db2.gz AAPAGGPVNYQZSN-UHFFFAOYSA-N 1 2 240.310 2.820 20 0 BFADLO CCC1C[NH+](Cc2occc2Br)C1 ZINC000835073474 587780216 /nfs/dbraw/zinc/78/02/16/587780216.db2.gz AWOAWJPGXBNBGZ-UHFFFAOYSA-N 1 2 244.132 2.884 20 0 BFADLO O=C(CCc1[nH]cc[nH+]1)N1CCCCCCCC1 ZINC000836921686 587842947 /nfs/dbraw/zinc/84/29/47/587842947.db2.gz KJVCUUZMFDPODR-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO CCC(=CC(=O)N[C@@H](C)c1[nH+]ccn1CC)CC ZINC000836951330 587843556 /nfs/dbraw/zinc/84/35/56/587843556.db2.gz WYUAXOQUMBWFJU-NSHDSACASA-N 1 2 249.358 2.827 20 0 BFADLO CCC(=CC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)CC ZINC000836954689 587843773 /nfs/dbraw/zinc/84/37/73/587843773.db2.gz MWDYQQNKMUCWAA-ZYHUDNBSSA-N 1 2 247.342 2.752 20 0 BFADLO CCC/C=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000837103972 587853782 /nfs/dbraw/zinc/85/37/82/587853782.db2.gz PBZYHKAKRWWEQF-SREVYHEPSA-N 1 2 232.327 2.671 20 0 BFADLO C/C=C(\CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837105118 587854295 /nfs/dbraw/zinc/85/42/95/587854295.db2.gz PZOHIPGYSLIXHE-LFYBBSHMSA-N 1 2 232.327 2.671 20 0 BFADLO CC[C@H]1CCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000837851019 587900074 /nfs/dbraw/zinc/90/00/74/587900074.db2.gz ZKJHKNPRGQSSDG-NWDGAFQWSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2csnn2)c(C)o1 ZINC000840969200 587932204 /nfs/dbraw/zinc/93/22/04/587932204.db2.gz ANGGTGPIAOKNQS-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CO[C@@H](C)C(N)=[NH+]OCC/C=C\c1ccccc1 ZINC000842037379 587992025 /nfs/dbraw/zinc/99/20/25/587992025.db2.gz YJSRVQUFBSFPGE-GYGFLDJKSA-N 1 2 248.326 2.623 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000842165741 588005715 /nfs/dbraw/zinc/00/57/15/588005715.db2.gz FIMIGYZOQXUNQI-GJMOJQLCSA-N 1 2 227.245 2.863 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000842165741 588005717 /nfs/dbraw/zinc/00/57/17/588005717.db2.gz FIMIGYZOQXUNQI-GJMOJQLCSA-N 1 2 227.245 2.863 20 0 BFADLO Cc1ccc([C@H]([NH3+])c2nc(CC(C)C)no2)cc1 ZINC000842569695 588043045 /nfs/dbraw/zinc/04/30/45/588043045.db2.gz HSTROVAXCPQQGD-ZDUSSCGKSA-N 1 2 245.326 2.625 20 0 BFADLO Cc1ccc2c(c1)CCN2Cc1ccc(N)[nH+]c1 ZINC000843064682 588078753 /nfs/dbraw/zinc/07/87/53/588078753.db2.gz BGVMTOCOTFKREO-UHFFFAOYSA-N 1 2 239.322 2.535 20 0 BFADLO CCCC[C@H](CC)Cc1nc(C[NH2+]CC)no1 ZINC000843144618 588086360 /nfs/dbraw/zinc/08/63/60/588086360.db2.gz DSOUWFNOMYWWLR-NSHDSACASA-N 1 2 239.363 2.938 20 0 BFADLO Fc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1F ZINC000844449505 588194968 /nfs/dbraw/zinc/19/49/68/588194968.db2.gz KUAHZLGVUIMUBS-DTORHVGOSA-N 1 2 245.219 2.662 20 0 BFADLO Fc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1F ZINC000844449505 588194969 /nfs/dbraw/zinc/19/49/69/588194969.db2.gz KUAHZLGVUIMUBS-DTORHVGOSA-N 1 2 245.219 2.662 20 0 BFADLO COCc1cc[nH+]c(NCc2nc(C)cs2)c1 ZINC000844708650 588214720 /nfs/dbraw/zinc/21/47/20/588214720.db2.gz SRENPUDBNUGUGH-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO CC(C)CCCOC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845284917 588225923 /nfs/dbraw/zinc/22/59/23/588225923.db2.gz PCNDLDULTOATCX-GFCCVEGCSA-N 1 2 238.331 2.814 20 0 BFADLO C[C@@H](CC(=O)OC1(C)CCCC1)n1cc[nH+]c1 ZINC000845486690 588230175 /nfs/dbraw/zinc/23/01/75/588230175.db2.gz ICKOLJRDWAAUSG-NSHDSACASA-N 1 2 236.315 2.710 20 0 BFADLO O=C(/C=C/C1CCCCCC1)NCc1[nH]cc[nH+]1 ZINC000845487650 588230411 /nfs/dbraw/zinc/23/04/11/588230411.db2.gz NPYKYTCVFZVXMV-BQYQJAHWSA-N 1 2 247.342 2.553 20 0 BFADLO O=C(C=CC1CCCCCC1)NCc1[nH]cc[nH+]1 ZINC000845487650 588230412 /nfs/dbraw/zinc/23/04/12/588230412.db2.gz NPYKYTCVFZVXMV-BQYQJAHWSA-N 1 2 247.342 2.553 20 0 BFADLO CCCC[C@@H](C)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845492718 588230679 /nfs/dbraw/zinc/23/06/79/588230679.db2.gz HIZHMSQOCLNGIN-NWDGAFQWSA-N 1 2 238.331 2.956 20 0 BFADLO C[C@H](CC(=O)OCC1(C)CCC1)n1cc[nH+]c1 ZINC000845533684 588232416 /nfs/dbraw/zinc/23/24/16/588232416.db2.gz YWESFDQQCLXKFA-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO C[C@@H](CC(=O)OCCC1(C)CC1)n1cc[nH+]c1 ZINC000845531162 588232434 /nfs/dbraw/zinc/23/24/34/588232434.db2.gz CODIVFDFGUDEGC-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO C[C@H](CC(=O)O[C@H]1CCC1(C)C)n1cc[nH+]c1 ZINC000845609776 588235797 /nfs/dbraw/zinc/23/57/97/588235797.db2.gz WQKJZKFZXGRPQM-MNOVXSKESA-N 1 2 236.315 2.566 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846747172 588284468 /nfs/dbraw/zinc/28/44/68/588284468.db2.gz AYCLFXIOQLZMEI-GHMZBOCLSA-N 1 2 235.327 2.847 20 0 BFADLO C[C@H]1Cc2cc([NH2+][C@H]3CCO[C@H](C)C3)ccc2O1 ZINC000846749401 588284850 /nfs/dbraw/zinc/28/48/50/588284850.db2.gz IRERTBNYIUPPKC-SUNKGSAMSA-N 1 2 247.338 2.989 20 0 BFADLO C[C@H]1Cc2cc([NH2+][C@@H]3CCO[C@H](C)C3)ccc2O1 ZINC000846749402 588284858 /nfs/dbraw/zinc/28/48/58/588284858.db2.gz IRERTBNYIUPPKC-UHIISALHSA-N 1 2 247.338 2.989 20 0 BFADLO Cc1ccc(NCc2nnc(C3CC3)s2)c[nH+]1 ZINC000846749577 588284893 /nfs/dbraw/zinc/28/48/93/588284893.db2.gz GIQXTUWBDPZZQU-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO Cc1cc(CNc2nccs2)cc(C)[nH+]1 ZINC000846749443 588284938 /nfs/dbraw/zinc/28/49/38/588284938.db2.gz LRRAQTOPUIBAAA-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO CC[N@H+](Cc1cnsn1)Cc1ccccc1C ZINC000846770518 588287062 /nfs/dbraw/zinc/28/70/62/588287062.db2.gz KVVAEYKYPODYBU-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cnsn1)Cc1ccccc1C ZINC000846770518 588287063 /nfs/dbraw/zinc/28/70/63/588287063.db2.gz KVVAEYKYPODYBU-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO C[N@H+](CCC1CCCCC1)Cc1cnsn1 ZINC000846793542 588288464 /nfs/dbraw/zinc/28/84/64/588288464.db2.gz MLTDHGYRIDBZGY-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO C[N@@H+](CCC1CCCCC1)Cc1cnsn1 ZINC000846793542 588288465 /nfs/dbraw/zinc/28/84/65/588288465.db2.gz MLTDHGYRIDBZGY-UHFFFAOYSA-N 1 2 239.388 2.940 20 0 BFADLO c1nsnc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000846807099 588289847 /nfs/dbraw/zinc/28/98/47/588289847.db2.gz TZNSWUOQQKHLQG-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO c1nsnc1C[N@H+]1CCC2(C1)CCCCC2 ZINC000846807099 588289848 /nfs/dbraw/zinc/28/98/48/588289848.db2.gz TZNSWUOQQKHLQG-UHFFFAOYSA-N 1 2 237.372 2.694 20 0 BFADLO CC[C@H]1CCC[N@H+](Cc2cnsn2)CC1 ZINC000846807860 588289902 /nfs/dbraw/zinc/28/99/02/588289902.db2.gz INVMUWRYJBJJHC-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO CC[C@H]1CCC[N@@H+](Cc2cnsn2)CC1 ZINC000846807860 588289903 /nfs/dbraw/zinc/28/99/03/588289903.db2.gz INVMUWRYJBJJHC-JTQLQIEISA-N 1 2 225.361 2.550 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2cnsn2)CC1 ZINC000846835261 588291662 /nfs/dbraw/zinc/29/16/62/588291662.db2.gz IJLDVWQGQMTZHJ-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2cnsn2)CC1 ZINC000846835261 588291663 /nfs/dbraw/zinc/29/16/63/588291663.db2.gz IJLDVWQGQMTZHJ-UHFFFAOYSA-N 1 2 237.372 2.716 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846886431 588295626 /nfs/dbraw/zinc/29/56/26/588295626.db2.gz ZKUQQQYLSQDYQM-OCAPTIKFSA-N 1 2 228.698 2.857 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000846886431 588295627 /nfs/dbraw/zinc/29/56/27/588295627.db2.gz ZKUQQQYLSQDYQM-OCAPTIKFSA-N 1 2 228.698 2.857 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1)[NH+](C)C ZINC000848618116 588401967 /nfs/dbraw/zinc/40/19/67/588401967.db2.gz GMNINHIHDWSUDF-ZDCRXTMVSA-N 1 2 235.331 2.596 20 0 BFADLO CC[C@H](C)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781835 588413598 /nfs/dbraw/zinc/41/35/98/588413598.db2.gz PHIQVIBTAWUMIK-JTQLQIEISA-N 1 2 246.310 2.846 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C(C)C ZINC000848907351 588419744 /nfs/dbraw/zinc/41/97/44/588419744.db2.gz CDYYKNJPRHWJDH-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C(C)C ZINC000848907351 588419745 /nfs/dbraw/zinc/41/97/45/588419745.db2.gz CDYYKNJPRHWJDH-LBPRGKRZSA-N 1 2 249.354 2.803 20 0 BFADLO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(=O)OCc1ccccc1 ZINC000848922949 588420829 /nfs/dbraw/zinc/42/08/29/588420829.db2.gz ZXDXPHJUISYOER-SGMGOOAPSA-N 1 2 247.338 2.506 20 0 BFADLO C=COc1ccc([NH2+]CCC2(O)CCC2)cc1 ZINC000849317218 588472061 /nfs/dbraw/zinc/47/20/61/588472061.db2.gz KOTCULOMUHQYOV-UHFFFAOYSA-N 1 2 233.311 2.926 20 0 BFADLO Cc1c[nH]c(CNc2ccc([NH+](C)C)c(C)c2)n1 ZINC000850205523 588528783 /nfs/dbraw/zinc/52/87/83/588528783.db2.gz GHLQCPUWZSOCBX-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO COc1ccc(F)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000850234719 588530568 /nfs/dbraw/zinc/53/05/68/588530568.db2.gz JRKVHQIAQGPZFA-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)nc1)c1cscn1 ZINC000850359722 588539892 /nfs/dbraw/zinc/53/98/92/588539892.db2.gz PBRYRRNUJAIRDU-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO Cc1ccc([C@H](C)[N@H+](C)Cc2cnon2)c(C)c1 ZINC000851734441 588620324 /nfs/dbraw/zinc/62/03/24/588620324.db2.gz RTMLSIQHDBXZLF-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cnon2)c(C)c1 ZINC000851734441 588620325 /nfs/dbraw/zinc/62/03/25/588620325.db2.gz RTMLSIQHDBXZLF-LBPRGKRZSA-N 1 2 245.326 2.879 20 0 BFADLO CC[C@H]1C[N@H+](CC=C(Cl)Cl)C[C@H](C)O1 ZINC000851769258 588625557 /nfs/dbraw/zinc/62/55/57/588625557.db2.gz LOCMIJMWYOOUAF-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H](C)O1 ZINC000851769258 588625558 /nfs/dbraw/zinc/62/55/58/588625558.db2.gz LOCMIJMWYOOUAF-IUCAKERBSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cnon2)[C@H](c2ccco2)C1 ZINC000851793688 588629452 /nfs/dbraw/zinc/62/94/52/588629452.db2.gz HFIFOEMYRIUIEA-JQWIXIFHSA-N 1 2 247.298 2.636 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cnon2)[C@H](c2ccco2)C1 ZINC000851793688 588629453 /nfs/dbraw/zinc/62/94/53/588629453.db2.gz HFIFOEMYRIUIEA-JQWIXIFHSA-N 1 2 247.298 2.636 20 0 BFADLO CC[C@@]1(C)COCC[N@@H+]1CC=C(Cl)Cl ZINC000851879166 588639022 /nfs/dbraw/zinc/63/90/22/588639022.db2.gz XRRVPTUIWBHXQZ-JTQLQIEISA-N 1 2 238.158 2.806 20 0 BFADLO CC[C@@]1(C)COCC[N@H+]1CC=C(Cl)Cl ZINC000851879166 588639023 /nfs/dbraw/zinc/63/90/23/588639023.db2.gz XRRVPTUIWBHXQZ-JTQLQIEISA-N 1 2 238.158 2.806 20 0 BFADLO ClC(Cl)=CCN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000851886583 588640537 /nfs/dbraw/zinc/64/05/37/588640537.db2.gz IDGVLLSZSSCPDP-MRVPVSSYSA-N 1 2 246.141 2.866 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)n2)nc1 ZINC000852120131 588665108 /nfs/dbraw/zinc/66/51/08/588665108.db2.gz NNUXHMSPCGIHPB-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cccc(F)n2)nc1 ZINC000852120131 588665109 /nfs/dbraw/zinc/66/51/09/588665109.db2.gz NNUXHMSPCGIHPB-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO FC(F)OCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000852162420 588668373 /nfs/dbraw/zinc/66/83/73/588668373.db2.gz JRRWVDHFBBSSFQ-UHFFFAOYSA-N 1 2 247.672 2.895 20 0 BFADLO FC(F)OCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000852162420 588668374 /nfs/dbraw/zinc/66/83/74/588668374.db2.gz JRRWVDHFBBSSFQ-UHFFFAOYSA-N 1 2 247.672 2.895 20 0 BFADLO C[C@@H]([NH2+]C/C=C\Cl)c1cscn1 ZINC000852417110 588681773 /nfs/dbraw/zinc/68/17/73/588681773.db2.gz IWWQXVPKFDJBDN-SKRYNEFJSA-N 1 2 202.710 2.546 20 0 BFADLO CC(C)[C@H]([NH2+]Cc1cnon1)c1ccccc1F ZINC000852448356 588682826 /nfs/dbraw/zinc/68/28/26/588682826.db2.gz KCTWCVDZTORWMQ-ZDUSSCGKSA-N 1 2 249.289 2.696 20 0 BFADLO COCC[N@H+](CCF)Cc1cc(C)ccc1F ZINC000852480467 588683776 /nfs/dbraw/zinc/68/37/76/588683776.db2.gz XFXQJTBKXHUEAW-UHFFFAOYSA-N 1 2 243.297 2.552 20 0 BFADLO COCC[N@@H+](CCF)Cc1cc(C)ccc1F ZINC000852480467 588683777 /nfs/dbraw/zinc/68/37/77/588683777.db2.gz XFXQJTBKXHUEAW-UHFFFAOYSA-N 1 2 243.297 2.552 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)n1 ZINC000862211711 589194494 /nfs/dbraw/zinc/19/44/94/589194494.db2.gz BFOHRTITPAGMKX-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1c[nH]c(C[N@H+]2Cc3ccccc3[C@@H](C)C2)n1 ZINC000862211711 589194495 /nfs/dbraw/zinc/19/44/95/589194495.db2.gz BFOHRTITPAGMKX-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1c[nH]c(CN(C)c2ccc(C)cc2)[nH+]1 ZINC000862303846 589200392 /nfs/dbraw/zinc/20/03/92/589200392.db2.gz AUCGCHCHLRTYFX-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO Cc1c[nH]c(CN2CCc3cc(C)ccc32)[nH+]1 ZINC000862303923 589200771 /nfs/dbraw/zinc/20/07/71/589200771.db2.gz CVCAXIVVFCJWPH-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO Cc1c[nH]c(CN2Cc3cccc(Cl)c3C2)[nH+]1 ZINC000862368630 589204850 /nfs/dbraw/zinc/20/48/50/589204850.db2.gz KNEPZTZHBVOSNZ-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO Cc1c(C[NH2+][C@H]2CCCC2(F)F)ccnc1F ZINC000862369740 589204929 /nfs/dbraw/zinc/20/49/29/589204929.db2.gz XEQSHKVPBPMJJW-JTQLQIEISA-N 1 2 244.260 2.807 20 0 BFADLO CC[C@H]([NH2+]Cc1ccnc(F)c1C)C(F)F ZINC000862382636 589206958 /nfs/dbraw/zinc/20/69/58/589206958.db2.gz XFPIULPDMFLUKG-VIFPVBQESA-N 1 2 232.249 2.662 20 0 BFADLO CCCOCSc1[nH+]cc2ccccn21 ZINC000863261071 589275014 /nfs/dbraw/zinc/27/50/14/589275014.db2.gz WVXRMXCSZFQVNU-UHFFFAOYSA-N 1 2 222.313 2.811 20 0 BFADLO CC(C)c1nn(C)cc1-c1c[nH+]c2n1CCCC2 ZINC000863974122 589330921 /nfs/dbraw/zinc/33/09/21/589330921.db2.gz CGUWWUBCDKSPSH-UHFFFAOYSA-N 1 2 244.342 2.743 20 0 BFADLO Cc1cc(-c2c[nH+]c(C(C)C)n2C)ccn1 ZINC000863974456 589331016 /nfs/dbraw/zinc/33/10/16/589331016.db2.gz IRIHSAWDKKUSBH-UHFFFAOYSA-N 1 2 215.300 2.914 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@]2(C)CC2(F)F)[nH+]1 ZINC000864093240 589344225 /nfs/dbraw/zinc/34/42/25/589344225.db2.gz KTCHBSUHJHJIFG-KCJUWKMLSA-N 1 2 242.269 2.592 20 0 BFADLO C[C@H](O)c1cccc(NCC[C@@H]2CC2(F)F)[nH+]1 ZINC000864093820 589344292 /nfs/dbraw/zinc/34/42/92/589344292.db2.gz VKNBEESEWSARPT-DTWKUNHWSA-N 1 2 242.269 2.592 20 0 BFADLO Cc1cc(NC(=O)NCCC2CCC2)cc[nH+]1 ZINC000120211128 589393131 /nfs/dbraw/zinc/39/31/31/589393131.db2.gz KPFSCTHLISTPDR-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000865069700 589407541 /nfs/dbraw/zinc/40/75/41/589407541.db2.gz LPOGMPKWVUJZMQ-QMTHXVAHSA-N 1 2 246.310 2.609 20 0 BFADLO CCO[C@@H](Cn1c[nH+]c(C(C)(C)C)c1)C1CC1 ZINC000865376503 589428837 /nfs/dbraw/zinc/42/88/37/589428837.db2.gz QESINESBONCUQS-LBPRGKRZSA-N 1 2 236.359 2.996 20 0 BFADLO COc1ncccc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376603 589428997 /nfs/dbraw/zinc/42/89/97/589428997.db2.gz VKXXBASSGKJVTC-UHFFFAOYSA-N 1 2 245.326 2.633 20 0 BFADLO CCC[C@@H](O)CCCSCCn1cc[nH+]c1 ZINC000865380415 589429788 /nfs/dbraw/zinc/42/97/88/589429788.db2.gz NNKGIEUIBKCTGT-GFCCVEGCSA-N 1 2 242.388 2.558 20 0 BFADLO Fc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865422296 589435104 /nfs/dbraw/zinc/43/51/04/589435104.db2.gz KZIRYFZRMYOCEE-UHFFFAOYSA-N 1 2 231.274 2.969 20 0 BFADLO CC(C)Cc1cc(NC2CCC2)nc[nH+]1 ZINC000865526839 589443786 /nfs/dbraw/zinc/44/37/86/589443786.db2.gz ZWVMVTWEOZRZRU-UHFFFAOYSA-N 1 2 205.305 2.640 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@H](C)CCO ZINC000865547819 589445389 /nfs/dbraw/zinc/44/53/89/589445389.db2.gz LQSVKUKMZAYFDZ-MRVPVSSYSA-N 1 2 248.248 2.592 20 0 BFADLO CC(C)Cc1cc(N[C@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000865560706 589446937 /nfs/dbraw/zinc/44/69/37/589446937.db2.gz NOQCKROFNBTVCE-NEPJUHHUSA-N 1 2 249.358 2.512 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCSC2)nc[nH+]1 ZINC000865564337 589447153 /nfs/dbraw/zinc/44/71/53/589447153.db2.gz AUGJMHVSNOKSOG-SNVBAGLBSA-N 1 2 237.372 2.593 20 0 BFADLO CCc1ccncc1NCc1cn(C2CC2)c[nH+]1 ZINC000865617465 589451492 /nfs/dbraw/zinc/45/14/92/589451492.db2.gz SJGJQGZTKRLIAK-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@@H]1CCOC1 ZINC000865636939 589453513 /nfs/dbraw/zinc/45/35/13/589453513.db2.gz SIQXVTAFSOOGGR-SECBINFHSA-N 1 2 246.232 2.610 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000865654195 589454606 /nfs/dbraw/zinc/45/46/06/589454606.db2.gz LMEYSQQVAJBTPD-NWDGAFQWSA-N 1 2 249.358 2.655 20 0 BFADLO C[C@@H](O)c1ccc(N2CC3(CCC3)C[C@@H]2C)[nH+]c1 ZINC000865728383 589458957 /nfs/dbraw/zinc/45/89/57/589458957.db2.gz UXCXIMSRNMCODE-NWDGAFQWSA-N 1 2 246.354 2.904 20 0 BFADLO CC[C@@H](CNc1cc(CC(C)C)[nH+]cn1)OC ZINC000865821425 589463259 /nfs/dbraw/zinc/46/32/59/589463259.db2.gz YKBHCKHBHWYPCE-LBPRGKRZSA-N 1 2 237.347 2.512 20 0 BFADLO CC[C@H](CNc1cc(CC(C)C)[nH+]cn1)OC ZINC000865821424 589463266 /nfs/dbraw/zinc/46/32/66/589463266.db2.gz YKBHCKHBHWYPCE-GFCCVEGCSA-N 1 2 237.347 2.512 20 0 BFADLO CC[C@H]1CCN1c1[nH+]cnc2[nH]c(Cl)cc21 ZINC000865828324 589463684 /nfs/dbraw/zinc/46/36/84/589463684.db2.gz OYXHBRMIHSRVIT-ZETCQYMHSA-N 1 2 236.706 2.552 20 0 BFADLO C[C@@H](O)c1ccc(N2CC[C@@H](C3CCC3)C2)[nH+]c1 ZINC000865880913 589466921 /nfs/dbraw/zinc/46/69/21/589466921.db2.gz RWHLUSRYVDZMNN-BXUZGUMPSA-N 1 2 246.354 2.761 20 0 BFADLO C[C@H](O)c1ccc(NCC2CC=CC2)[nH+]c1 ZINC000865966437 589470729 /nfs/dbraw/zinc/47/07/29/589470729.db2.gz XFLGFEYZUGFWJG-JTQLQIEISA-N 1 2 218.300 2.513 20 0 BFADLO CO[C@H]1CC[C@@H](C)N(c2cc[nH+]c(C(C)C)n2)C1 ZINC000866071236 589474756 /nfs/dbraw/zinc/47/47/56/589474756.db2.gz NPRIIKMGDPTPOM-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO Fc1cc(CNc2cc[nH+]c(C3CC3)n2)ccn1 ZINC000866089014 589475323 /nfs/dbraw/zinc/47/53/23/589475323.db2.gz VKFVEDPYSNILBU-UHFFFAOYSA-N 1 2 244.273 2.500 20 0 BFADLO CC[C@H](C[C@H](C)O)Nc1cc[nH+]c(C(C)C)n1 ZINC000866298611 589484692 /nfs/dbraw/zinc/48/46/92/589484692.db2.gz BDPGRKFDXGENHL-WDEREUQCSA-N 1 2 237.347 2.561 20 0 BFADLO CC[C@@H](C[C@@H](C)O)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000866300625 589484957 /nfs/dbraw/zinc/48/49/57/589484957.db2.gz XINATEYSHDUMCD-PWSUYJOCSA-N 1 2 249.358 2.624 20 0 BFADLO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)s1 ZINC000866456241 589494620 /nfs/dbraw/zinc/49/46/20/589494620.db2.gz XNGIONYYVAZZRP-JGVFFNPUSA-N 1 2 236.344 2.586 20 0 BFADLO COCc1cc([NH2+]C(C)C)ccc1OC ZINC000866500674 589497631 /nfs/dbraw/zinc/49/76/31/589497631.db2.gz YBWOHDGGBLAHQV-UHFFFAOYSA-N 1 2 209.289 2.662 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCCC1CCC1 ZINC000122104447 589553900 /nfs/dbraw/zinc/55/39/00/589553900.db2.gz XFEUYSRBNPNZBK-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO FC(F)Cn1cc[nH+]c1CSCC1CC1 ZINC000871672661 589787882 /nfs/dbraw/zinc/78/78/82/589787882.db2.gz UDZFEVFXPAPKHW-UHFFFAOYSA-N 1 2 232.299 2.791 20 0 BFADLO Cc1ccncc1-c1c[nH+]c2n1CCCC2 ZINC000871889214 589829282 /nfs/dbraw/zinc/82/92/82/589829282.db2.gz FOCIAZILRABPOS-UHFFFAOYSA-N 1 2 213.284 2.590 20 0 BFADLO COc1cc([NH2+][C@H](C)C2CCC2)ccc1N ZINC000123913323 589852971 /nfs/dbraw/zinc/85/29/71/589852971.db2.gz UECFWFPSDQMJOP-SECBINFHSA-N 1 2 220.316 2.878 20 0 BFADLO CC(C)(C)c1cn(C[C@@H](O)c2ccccc2)c[nH+]1 ZINC000871989950 589854828 /nfs/dbraw/zinc/85/48/28/589854828.db2.gz VESJTZQVOMWWRZ-CYBMUJFWSA-N 1 2 244.338 2.914 20 0 BFADLO Cc1cc(N2CC[C@](C)(C(F)(F)F)C2)nc[nH+]1 ZINC000872728788 589965543 /nfs/dbraw/zinc/96/55/43/589965543.db2.gz ZTAVEBPLQXAXFF-JTQLQIEISA-N 1 2 245.248 2.564 20 0 BFADLO C[C@@]1(C(F)(F)F)CCN(c2cccc[nH+]2)C1 ZINC000872729979 589965582 /nfs/dbraw/zinc/96/55/82/589965582.db2.gz DLDDIFJOACLSNI-SNVBAGLBSA-N 1 2 230.233 2.860 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC23CCC3)[nH+]1 ZINC000872775077 589968533 /nfs/dbraw/zinc/96/85/33/589968533.db2.gz NWVFYANKPZQSCC-SNVBAGLBSA-N 1 2 228.299 2.621 20 0 BFADLO CC(C)(C)c1ccc(C[NH2+]Cc2ccon2)o1 ZINC000873152573 589986674 /nfs/dbraw/zinc/98/66/74/589986674.db2.gz UPOHFLCNECBUQE-UHFFFAOYSA-N 1 2 234.299 2.855 20 0 BFADLO CCn1ncc(NCc2c[nH+]cn2C(C)C)c1C ZINC000873196231 589991196 /nfs/dbraw/zinc/99/11/96/589991196.db2.gz JPCXZJBODBEBDX-UHFFFAOYSA-N 1 2 247.346 2.601 20 0 BFADLO CCC[C@H](CC)C(=O)OCCCn1cc[nH+]c1 ZINC000873420576 590042439 /nfs/dbraw/zinc/04/24/39/590042439.db2.gz MBWLRYKRJRAHHS-LBPRGKRZSA-N 1 2 238.331 2.643 20 0 BFADLO O=C(OCCCn1cc[nH+]c1)C1CCC=CCC1 ZINC000873430112 590043390 /nfs/dbraw/zinc/04/33/90/590043390.db2.gz IVQPYLIPFXTWOX-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125641 590076887 /nfs/dbraw/zinc/07/68/87/590076887.db2.gz MTDAEJAXUZTUFR-NXEZZACHSA-N 1 2 248.326 2.864 20 0 BFADLO CCC[C@@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124918580 590098529 /nfs/dbraw/zinc/09/85/29/590098529.db2.gz GHJIQNFOWFXHCJ-MNOVXSKESA-N 1 2 222.332 2.760 20 0 BFADLO CC(=O)c1c(C)cccc1NCc1[nH+]ccn1C ZINC000125090394 590120337 /nfs/dbraw/zinc/12/03/37/590120337.db2.gz XBKPLBHJHAAFKB-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC1(C)[C@@H]2C[N@@H+](Cc3nc(Cl)cs3)C[C@@H]21 ZINC000876769653 590239440 /nfs/dbraw/zinc/23/94/40/590239440.db2.gz XANVEXPLLZPIRZ-OCAPTIKFSA-N 1 2 242.775 2.884 20 0 BFADLO CC1(C)[C@@H]2C[N@H+](Cc3nc(Cl)cs3)C[C@@H]21 ZINC000876769653 590239441 /nfs/dbraw/zinc/23/94/41/590239441.db2.gz XANVEXPLLZPIRZ-OCAPTIKFSA-N 1 2 242.775 2.884 20 0 BFADLO CCOC1CC(C[NH2+]c2ccc(N(C)C)cc2)C1 ZINC000876838962 590248253 /nfs/dbraw/zinc/24/82/53/590248253.db2.gz XHEKUOCSXGTZNL-UHFFFAOYSA-N 1 2 248.370 2.980 20 0 BFADLO CCOC1CC(CNc2ccc([NH+](C)C)cc2)C1 ZINC000876838962 590248254 /nfs/dbraw/zinc/24/82/54/590248254.db2.gz XHEKUOCSXGTZNL-UHFFFAOYSA-N 1 2 248.370 2.980 20 0 BFADLO Clc1csc(C[N@@H+]2CCCSCC2)n1 ZINC000877170606 590295728 /nfs/dbraw/zinc/29/57/28/590295728.db2.gz RDLRAINOAHMKOP-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Clc1csc(C[N@H+]2CCCSCC2)n1 ZINC000877170606 590295729 /nfs/dbraw/zinc/29/57/29/590295729.db2.gz RDLRAINOAHMKOP-UHFFFAOYSA-N 1 2 248.804 2.735 20 0 BFADLO Cc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)sn1 ZINC000877344544 590319122 /nfs/dbraw/zinc/31/91/22/590319122.db2.gz IMUULMQDWSGZBC-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO CC(C)([NH2+]C[C@H]1CC1(Cl)Cl)C(F)F ZINC000877490360 590340077 /nfs/dbraw/zinc/34/00/77/590340077.db2.gz YGLCZIHFJMLZTG-RXMQYKEDSA-N 1 2 232.101 2.814 20 0 BFADLO Cn1c(C[NH2+]C(CF)CF)cc2ccccc21 ZINC000877555776 590356381 /nfs/dbraw/zinc/35/63/81/590356381.db2.gz BGFVJSJULXFWKR-UHFFFAOYSA-N 1 2 238.281 2.576 20 0 BFADLO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C(CF)CF ZINC000877559816 590358978 /nfs/dbraw/zinc/35/89/78/590358978.db2.gz WZKYWFMSKFOSTN-GXFFZTMASA-N 1 2 243.297 2.660 20 0 BFADLO COC[C@H](C)C[NH2+]c1ccc(N(C)C)c(F)c1 ZINC000877773435 590422191 /nfs/dbraw/zinc/42/21/91/590422191.db2.gz OSNOTHQRCXDFCP-SNVBAGLBSA-N 1 2 240.322 2.586 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccccc1C ZINC000877899863 590442582 /nfs/dbraw/zinc/44/25/82/590442582.db2.gz JGAUJQOIGRAZGA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccccc1C ZINC000877899863 590442584 /nfs/dbraw/zinc/44/25/84/590442584.db2.gz JGAUJQOIGRAZGA-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO FC(F)C[N@H+](CCCOC(F)(F)F)C1CC1 ZINC000878084605 590490164 /nfs/dbraw/zinc/49/01/64/590490164.db2.gz VDBJIGJRVJWBTH-UHFFFAOYSA-N 1 2 247.207 2.642 20 0 BFADLO FC(F)C[N@@H+](CCCOC(F)(F)F)C1CC1 ZINC000878084605 590490166 /nfs/dbraw/zinc/49/01/66/590490166.db2.gz VDBJIGJRVJWBTH-UHFFFAOYSA-N 1 2 247.207 2.642 20 0 BFADLO C=C/C=C/CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000878113794 590497315 /nfs/dbraw/zinc/49/73/15/590497315.db2.gz NOAARWMFJYACBF-OOPCZODUSA-N 1 2 233.311 2.785 20 0 BFADLO C=C/C=C/CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000878113794 590497316 /nfs/dbraw/zinc/49/73/16/590497316.db2.gz NOAARWMFJYACBF-OOPCZODUSA-N 1 2 233.311 2.785 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878199450 590522929 /nfs/dbraw/zinc/52/29/29/590522929.db2.gz AMSUHKATKARVET-GRYCIOLGSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878199450 590522932 /nfs/dbraw/zinc/52/29/32/590522932.db2.gz AMSUHKATKARVET-GRYCIOLGSA-N 1 2 247.329 2.920 20 0 BFADLO CC[C@@](C)([NH2+]C[C@H]1C[C@@H](OC)C1)C(F)(F)F ZINC000878256430 590529687 /nfs/dbraw/zinc/52/96/87/590529687.db2.gz AKVRMNGOYJXLPL-KXUCPTDWSA-N 1 2 239.281 2.732 20 0 BFADLO CC1=CC[N@H+](Cc2scnc2Cl)CC1 ZINC000878301310 590538507 /nfs/dbraw/zinc/53/85/07/590538507.db2.gz WGABLVPPESVWLP-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1=CC[N@@H+](Cc2scnc2Cl)CC1 ZINC000878301310 590538508 /nfs/dbraw/zinc/53/85/08/590538508.db2.gz WGABLVPPESVWLP-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO CC1(C)CCc2onc(C[N@H+]3CC=CCC3)c2C1 ZINC000878384988 590558278 /nfs/dbraw/zinc/55/82/78/590558278.db2.gz RXEYBLMLFBMBJI-UHFFFAOYSA-N 1 2 246.354 2.951 20 0 BFADLO CC1(C)CCc2onc(C[N@@H+]3CC=CCC3)c2C1 ZINC000878384988 590558279 /nfs/dbraw/zinc/55/82/79/590558279.db2.gz RXEYBLMLFBMBJI-UHFFFAOYSA-N 1 2 246.354 2.951 20 0 BFADLO Cc1conc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000878401909 590560921 /nfs/dbraw/zinc/56/09/21/590560921.db2.gz AITRIEIYBCBXDI-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1scnc1Cl ZINC000878532474 590587246 /nfs/dbraw/zinc/58/72/46/590587246.db2.gz CWYPGPTXQJTUKT-RNFRBKRXSA-N 1 2 216.737 2.779 20 0 BFADLO Cc1conc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000878613465 590596355 /nfs/dbraw/zinc/59/63/55/590596355.db2.gz OGMJIJIQEANQNT-UHFFFAOYSA-N 1 2 249.314 2.613 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC=C(Cl)C2)nc1 ZINC000878790972 590623764 /nfs/dbraw/zinc/62/37/64/590623764.db2.gz ZRDLCIAKFIEWLL-UHFFFAOYSA-N 1 2 236.746 2.972 20 0 BFADLO CCc1ccc(C[N@H+]2CCC=C(Cl)C2)nc1 ZINC000878790972 590623765 /nfs/dbraw/zinc/62/37/65/590623765.db2.gz ZRDLCIAKFIEWLL-UHFFFAOYSA-N 1 2 236.746 2.972 20 0 BFADLO Cl/C=C(/Cl)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876795 590637332 /nfs/dbraw/zinc/63/73/32/590637332.db2.gz UNXAAKOACZMARI-WXLQGSQKSA-N 1 2 246.141 2.866 20 0 BFADLO Cl/C=C(/Cl)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878876795 590637334 /nfs/dbraw/zinc/63/73/34/590637334.db2.gz UNXAAKOACZMARI-WXLQGSQKSA-N 1 2 246.141 2.866 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2CC23CCC3)c(C)[nH+]1 ZINC000878909539 590644526 /nfs/dbraw/zinc/64/45/26/590644526.db2.gz UNSDKIUFBKFYCY-LBPRGKRZSA-N 1 2 245.326 2.763 20 0 BFADLO C=C/C=C/CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000878909137 590645676 /nfs/dbraw/zinc/64/56/76/590645676.db2.gz LHGVFFSFYFZQCC-AATRIKPKSA-N 1 2 245.326 2.952 20 0 BFADLO Clc1ncsc1C[NH+](C1CC1)C1CC1 ZINC000879038184 590683962 /nfs/dbraw/zinc/68/39/62/590683962.db2.gz QSAPPRZKLBREOV-UHFFFAOYSA-N 1 2 228.748 2.923 20 0 BFADLO CO[C@@H]1CC[C@H](C)[N@H+](C/C(Cl)=C\Cl)C1 ZINC000879321814 590742956 /nfs/dbraw/zinc/74/29/56/590742956.db2.gz OSKXUNUJJMCFHY-UHHLUOIISA-N 1 2 238.158 2.805 20 0 BFADLO CO[C@@H]1CC[C@H](C)[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000879321814 590742959 /nfs/dbraw/zinc/74/29/59/590742959.db2.gz OSKXUNUJJMCFHY-UHHLUOIISA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@H+](CC2=CCCC2)CCO1 ZINC000879502410 590779007 /nfs/dbraw/zinc/77/90/07/590779007.db2.gz HMOMCNOFFPMWNQ-NSHDSACASA-N 1 2 249.276 2.750 20 0 BFADLO C[C@@]1(C(F)(F)F)C[N@@H+](CC2=CCCC2)CCO1 ZINC000879502410 590779012 /nfs/dbraw/zinc/77/90/12/590779012.db2.gz HMOMCNOFFPMWNQ-NSHDSACASA-N 1 2 249.276 2.750 20 0 BFADLO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000879749893 590863422 /nfs/dbraw/zinc/86/34/22/590863422.db2.gz KUVMEQJBXQLRFJ-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000879749893 590863427 /nfs/dbraw/zinc/86/34/27/590863427.db2.gz KUVMEQJBXQLRFJ-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@@H+]1OC2CCC1CC2 ZINC000879798528 590876100 /nfs/dbraw/zinc/87/61/00/590876100.db2.gz WETINIZLNJTOMP-AFPNSQJFSA-N 1 2 236.142 2.739 20 0 BFADLO ClC1(Cl)C[C@@H]1C[N@H+]1OC2CCC1CC2 ZINC000879798528 590876101 /nfs/dbraw/zinc/87/61/01/590876101.db2.gz WETINIZLNJTOMP-AFPNSQJFSA-N 1 2 236.142 2.739 20 0 BFADLO FC1(F)CC(C[N@@H+]2OC3CCC2CC3)C1 ZINC000879800430 590878153 /nfs/dbraw/zinc/87/81/53/590878153.db2.gz RLADCONYONRGLN-UHFFFAOYSA-N 1 2 217.259 2.590 20 0 BFADLO FC1(F)CC(C[N@H+]2OC3CCC2CC3)C1 ZINC000879800430 590878155 /nfs/dbraw/zinc/87/81/55/590878155.db2.gz RLADCONYONRGLN-UHFFFAOYSA-N 1 2 217.259 2.590 20 0 BFADLO C[C@@H](C[N@@H+](C)Cc1cnsn1)C(C)(C)C ZINC000880076577 590918593 /nfs/dbraw/zinc/91/85/93/590918593.db2.gz PYSJAOXKQNWXKI-VIFPVBQESA-N 1 2 227.377 2.652 20 0 BFADLO C[C@@H](C[N@H+](C)Cc1cnsn1)C(C)(C)C ZINC000880076577 590918590 /nfs/dbraw/zinc/91/85/90/590918590.db2.gz PYSJAOXKQNWXKI-VIFPVBQESA-N 1 2 227.377 2.652 20 0 BFADLO CC(C)c1noc([C@@H](C)[NH+]2CCC(F)CC2)n1 ZINC000880242775 590975066 /nfs/dbraw/zinc/97/50/66/590975066.db2.gz KNKBWAKFJUNXET-SECBINFHSA-N 1 2 241.310 2.688 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1nccn1C ZINC000880377245 591015532 /nfs/dbraw/zinc/01/55/32/591015532.db2.gz QASKLVABISYENZ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1nccn1C ZINC000880377245 591015536 /nfs/dbraw/zinc/01/55/36/591015536.db2.gz QASKLVABISYENZ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000880377586 591016557 /nfs/dbraw/zinc/01/65/57/591016557.db2.gz ZTCSRDVXCUTAKV-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000880377586 591016561 /nfs/dbraw/zinc/01/65/61/591016561.db2.gz ZTCSRDVXCUTAKV-SECBINFHSA-N 1 2 233.340 2.591 20 0 BFADLO CCCNc1cc(NCc2cccs2)nc[nH+]1 ZINC000128753174 591157848 /nfs/dbraw/zinc/15/78/48/591157848.db2.gz MRASGZJOORZSMM-UHFFFAOYSA-N 1 2 248.355 2.972 20 0 BFADLO CCCNc1cc(NCc2cccs2)[nH+]cn1 ZINC000128753174 591157849 /nfs/dbraw/zinc/15/78/49/591157849.db2.gz MRASGZJOORZSMM-UHFFFAOYSA-N 1 2 248.355 2.972 20 0 BFADLO COc1ccc(CNc2nc[nH+]c(C)c2C)cc1 ZINC000881738173 591268168 /nfs/dbraw/zinc/26/81/68/591268168.db2.gz KVNXMUQQDCKDNU-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCc1nc(CNc2nc[nH+]c(C)c2C)cs1 ZINC000881956316 591283928 /nfs/dbraw/zinc/28/39/28/591283928.db2.gz IQTGZTJWTYUCLH-UHFFFAOYSA-N 1 2 248.355 2.724 20 0 BFADLO CCC1(CNc2nc[nH+]c(C)c2C)CCOCC1 ZINC000882041436 591291863 /nfs/dbraw/zinc/29/18/63/591291863.db2.gz SOTUSYGJHNDKKS-UHFFFAOYSA-N 1 2 249.358 2.712 20 0 BFADLO FC1(F)CCC[C@@H]1CCOCc1[nH]cc[nH+]1 ZINC000882148906 591306230 /nfs/dbraw/zinc/30/62/30/591306230.db2.gz BEULQOONTJWSSZ-SECBINFHSA-N 1 2 230.258 2.752 20 0 BFADLO Cc1[nH+]cnc(NCCC[C@H]2CCCCO2)c1C ZINC000882189546 591313120 /nfs/dbraw/zinc/31/31/20/591313120.db2.gz YJTAYYHFYBWEGQ-CYBMUJFWSA-N 1 2 249.358 2.855 20 0 BFADLO CCC[C@H](O)CCCSCc1cn(C)c[nH+]1 ZINC000882281576 591325527 /nfs/dbraw/zinc/32/55/27/591325527.db2.gz FSLADAQASMENJB-LBPRGKRZSA-N 1 2 242.388 2.595 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCC(F)(F)C2)c1C ZINC000882296394 591327459 /nfs/dbraw/zinc/32/74/59/591327459.db2.gz JQCLKTZRCCBYBY-JTQLQIEISA-N 1 2 241.285 2.941 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCC2(C)C)c1C ZINC000882363689 591338148 /nfs/dbraw/zinc/33/81/48/591338148.db2.gz JFPXAUNMTNYHFV-JTQLQIEISA-N 1 2 205.305 2.694 20 0 BFADLO CCC1(CC)CN(c2nc[nH+]c(C)c2C)C1 ZINC000882400638 591343255 /nfs/dbraw/zinc/34/32/55/591343255.db2.gz JHOMOQIANXHTAT-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(NCC[C@]2(C)CC2(F)F)c1C ZINC000882620621 591401887 /nfs/dbraw/zinc/40/18/87/591401887.db2.gz QAAUAFSODBKLOS-LLVKDONJSA-N 1 2 241.285 2.941 20 0 BFADLO Cc1[nH+]cnc(NC2CC(C)(C)C2)c1C ZINC000882640185 591406008 /nfs/dbraw/zinc/40/60/08/591406008.db2.gz XEYAZYYKEHQVAE-UHFFFAOYSA-N 1 2 205.305 2.694 20 0 BFADLO C/C(=C/C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000129912711 591418262 /nfs/dbraw/zinc/41/82/62/591418262.db2.gz LUPRXUKANWRLOU-CLFYSBASSA-N 1 2 216.284 2.685 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H]2C=CCC2)[nH+]1 ZINC000882757341 591430345 /nfs/dbraw/zinc/43/03/45/591430345.db2.gz DVWODULFWVTSOH-JTQLQIEISA-N 1 2 228.299 2.644 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCC(C)(C)CO2)c1C ZINC000882762894 591431248 /nfs/dbraw/zinc/43/12/48/591431248.db2.gz VATJPGVXOMRMQO-LBPRGKRZSA-N 1 2 249.358 2.711 20 0 BFADLO CCC[C@@H](C)CCNc1[nH+]cnc2c1cnn2C ZINC000882778213 591436341 /nfs/dbraw/zinc/43/63/41/591436341.db2.gz ICAATUBVEDIQCS-SNVBAGLBSA-N 1 2 247.346 2.602 20 0 BFADLO C[C@H](O)c1ccc(N2CC[C@@H](C)C[C@H]2C)[nH+]c1 ZINC000213278486 591449941 /nfs/dbraw/zinc/44/99/41/591449941.db2.gz PYPHBLOIFGLPAT-UTUOFQBUSA-N 1 2 234.343 2.760 20 0 BFADLO C[C@H](O)c1ccc(N(C)Cc2cccs2)[nH+]c1 ZINC000213231748 591455317 /nfs/dbraw/zinc/45/53/17/591455317.db2.gz LJGWUBTZMVGAPW-JTQLQIEISA-N 1 2 248.351 2.833 20 0 BFADLO c1csc([C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000882861831 591455999 /nfs/dbraw/zinc/45/59/99/591455999.db2.gz IYPQECWPQJJYHK-SNVBAGLBSA-N 1 2 231.324 2.532 20 0 BFADLO CC(C)[C@@H]1CCCN1c1ccc([C@H](C)O)c[nH+]1 ZINC000213306071 591460180 /nfs/dbraw/zinc/46/01/80/591460180.db2.gz VAMFRYFPWJNYCD-AAEUAGOBSA-N 1 2 234.343 2.760 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCC3(CCC3)O2)c1C ZINC000882972106 591489022 /nfs/dbraw/zinc/48/90/22/591489022.db2.gz CVCSYYAJGXSOOI-GFCCVEGCSA-N 1 2 247.342 2.607 20 0 BFADLO Cc1cncc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000883077756 591535538 /nfs/dbraw/zinc/53/55/38/591535538.db2.gz VCWFRZHCYRUURC-UHFFFAOYSA-N 1 2 244.342 2.526 20 0 BFADLO COCC(C)(C)CNc1c[nH+]c(C)c(C)c1 ZINC000883341171 591619660 /nfs/dbraw/zinc/61/96/60/591619660.db2.gz JSPJLTYLWBCGJJ-UHFFFAOYSA-N 1 2 222.332 2.783 20 0 BFADLO CCc1nocc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341005 591619791 /nfs/dbraw/zinc/61/97/91/591619791.db2.gz FPBIDRCSNUIPLN-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO Cc1cc(NCc2cn(C3CC3)cn2)c[nH+]c1C ZINC000883341713 591619896 /nfs/dbraw/zinc/61/98/96/591619896.db2.gz YBHOVAYMJBAVPS-UHFFFAOYSA-N 1 2 242.326 2.842 20 0 BFADLO CCn1nccc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341010 591620094 /nfs/dbraw/zinc/62/00/94/591620094.db2.gz FZZXJZXSRWXNNV-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)c1nccn1C ZINC000883341938 591620150 /nfs/dbraw/zinc/62/01/50/591620150.db2.gz FITTXSYOIVWAJP-ZDUSSCGKSA-N 1 2 244.342 2.995 20 0 BFADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c[nH+]c1C ZINC000883341296 591620324 /nfs/dbraw/zinc/62/03/24/591620324.db2.gz MRNWPFXUSWJVTR-IRUJWGPZSA-N 1 2 220.316 2.676 20 0 BFADLO Cc1cc(N[C@@H](C)COC(C)C)c[nH+]c1C ZINC000883340892 591620326 /nfs/dbraw/zinc/62/03/26/591620326.db2.gz BVSXJEGMODMRTL-NSHDSACASA-N 1 2 222.332 2.924 20 0 BFADLO CCCn1nccc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341091 591620390 /nfs/dbraw/zinc/62/03/90/591620390.db2.gz ICDLASJFZGQGML-UHFFFAOYSA-N 1 2 244.342 2.917 20 0 BFADLO Cc1nn(C)cc1[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342115 591622065 /nfs/dbraw/zinc/62/20/65/591622065.db2.gz KZKQJLAEFUAOOV-LLVKDONJSA-N 1 2 244.342 2.913 20 0 BFADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)c1cnn(C)c1 ZINC000883342382 591622359 /nfs/dbraw/zinc/62/23/59/591622359.db2.gz UXEJENIHEHQONS-CQSZACIVSA-N 1 2 244.342 2.995 20 0 BFADLO Cc1cc(N[C@@H]2CCOC2(C)C)c[nH+]c1C ZINC000883342611 591622439 /nfs/dbraw/zinc/62/24/39/591622439.db2.gz GBFGBIKORIOCRS-GFCCVEGCSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@@H]2CCCc3n[nH]cc32)c[nH+]c1C ZINC000883342963 591623264 /nfs/dbraw/zinc/62/32/64/591623264.db2.gz SWAOKTWUJRMUOW-CYBMUJFWSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1cc(N[C@@H](C)CCCCO)c[nH+]c1C ZINC000883342771 591623656 /nfs/dbraw/zinc/62/36/56/591623656.db2.gz LOMWUIXSDHNLMI-NSHDSACASA-N 1 2 222.332 2.661 20 0 BFADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cn[nH]c1 ZINC000883381526 591637958 /nfs/dbraw/zinc/63/79/58/591637958.db2.gz OREFTGXYQMQCQB-KGLIPLIRSA-N 1 2 245.301 2.525 20 0 BFADLO F[C@H]1CCc2ccccc2[C@H]1NCc1[nH]cc[nH+]1 ZINC000883382733 591639774 /nfs/dbraw/zinc/63/97/74/591639774.db2.gz MGKLLVDRQCSHGK-GXTWGEPZSA-N 1 2 245.301 2.525 20 0 BFADLO Cc1ccc2[nH+]c(NC[C@@H]3CCCOC3)[nH]c2c1 ZINC000883408462 591650814 /nfs/dbraw/zinc/65/08/14/591650814.db2.gz XOOLKQVWGBKEHF-NSHDSACASA-N 1 2 245.326 2.710 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(OC)c(CO)c1 ZINC000133597811 591831654 /nfs/dbraw/zinc/83/16/54/591831654.db2.gz YEQIKUNOMLVIPF-JTQLQIEISA-N 1 2 223.316 2.646 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(OCCO)cc1 ZINC000133612474 591842781 /nfs/dbraw/zinc/84/27/81/591842781.db2.gz IYJWGKSQFXBONS-NSHDSACASA-N 1 2 223.316 2.516 20 0 BFADLO CCc1nc(N2CC3(CCC3)C[C@H]2C)cc[nH+]1 ZINC000884486829 591954100 /nfs/dbraw/zinc/95/41/00/591954100.db2.gz GXVOYEQKMASBAV-LLVKDONJSA-N 1 2 231.343 2.808 20 0 BFADLO CCc1nc(NC[C@H]2CCCSC2)cc[nH+]1 ZINC000884509423 591960829 /nfs/dbraw/zinc/96/08/29/591960829.db2.gz FVKROJIRSCFNOX-SNVBAGLBSA-N 1 2 237.372 2.594 20 0 BFADLO CCc1nc(N2CCC[C@@H](C3CC3)C2)cc[nH+]1 ZINC000884509668 591960897 /nfs/dbraw/zinc/96/08/97/591960897.db2.gz MEJBEAOJRSYZIR-GFCCVEGCSA-N 1 2 231.343 2.665 20 0 BFADLO CCc1noc(C)c1CNc1cc[nH+]c(CC)n1 ZINC000884515477 591963469 /nfs/dbraw/zinc/96/34/69/591963469.db2.gz JOLOUMYJTUQGSW-UHFFFAOYSA-N 1 2 246.314 2.510 20 0 BFADLO CCc1nc(N2C[C@@H](C3CC3)[C@@H]2C2CC2)cc[nH+]1 ZINC000884522211 591965149 /nfs/dbraw/zinc/96/51/49/591965149.db2.gz ROPYQIHSACLIJM-WFASDCNBSA-N 1 2 243.354 2.664 20 0 BFADLO CCc1nc(NC[C@H]2CCCC2(F)F)cc[nH+]1 ZINC000884521298 591965168 /nfs/dbraw/zinc/96/51/68/591965168.db2.gz SMMCHOBOBBLOBY-SECBINFHSA-N 1 2 241.285 2.886 20 0 BFADLO CCO[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(CC)n1 ZINC000884524991 591965622 /nfs/dbraw/zinc/96/56/22/591965622.db2.gz KVKGFOKPBRUZQO-VXGBXAGGSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(N2C[C@H](C)[C@H](C)[C@H]2C)cc[nH+]1 ZINC000884532642 591969957 /nfs/dbraw/zinc/96/99/57/591969957.db2.gz NPHCSRNWVSUNOP-GARJFASQSA-N 1 2 219.332 2.520 20 0 BFADLO CCc1nc(N2CCC(F)(F)C[C@@H]2C)cc[nH+]1 ZINC000884565671 591982113 /nfs/dbraw/zinc/98/21/13/591982113.db2.gz QFAQEMVHUGRQAK-VIFPVBQESA-N 1 2 241.285 2.663 20 0 BFADLO CCc1nc(N2CC(c3ccccc3)C2)cc[nH+]1 ZINC000884569572 591983439 /nfs/dbraw/zinc/98/34/39/591983439.db2.gz QWWODRNQRCDZGK-UHFFFAOYSA-N 1 2 239.322 2.643 20 0 BFADLO Fc1ccc2cc[nH+]c(N3C[C@@H]4C[C@@H]4C3)c2c1 ZINC000884590400 591989655 /nfs/dbraw/zinc/98/96/55/591989655.db2.gz VBGHNRUWEZUXKW-PHIMTYICSA-N 1 2 228.270 2.830 20 0 BFADLO Cc1[nH+]cnc(NCC[C@H]2CC(C)(C)CO2)c1C ZINC000884674997 592009149 /nfs/dbraw/zinc/00/91/49/592009149.db2.gz OUZNYWBALFOJNP-LBPRGKRZSA-N 1 2 249.358 2.711 20 0 BFADLO CC[C@@H]1CC[C@H](C)N1c1ccc([C@@H](C)O)c[nH+]1 ZINC000136292863 592105256 /nfs/dbraw/zinc/10/52/56/592105256.db2.gz DPYOYCKDWIHPRA-DMDPSCGWSA-N 1 2 234.343 2.902 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885979634 592119647 /nfs/dbraw/zinc/11/96/47/592119647.db2.gz IPWQLJQMRFFYPG-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000885979634 592119649 /nfs/dbraw/zinc/11/96/49/592119649.db2.gz IPWQLJQMRFFYPG-NWDGAFQWSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC[C@H](C2CC2)O1 ZINC000885979636 592119954 /nfs/dbraw/zinc/11/99/54/592119954.db2.gz IPWQLJQMRFFYPG-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC[C@H](C2CC2)O1 ZINC000885979636 592119955 /nfs/dbraw/zinc/11/99/55/592119955.db2.gz IPWQLJQMRFFYPG-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(F)F ZINC000885985475 592121740 /nfs/dbraw/zinc/12/17/40/592121740.db2.gz ITAAIXDQMKXCFP-ZJUUUORDSA-N 1 2 203.276 2.620 20 0 BFADLO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)CC(F)F ZINC000885985475 592121739 /nfs/dbraw/zinc/12/17/39/592121739.db2.gz ITAAIXDQMKXCFP-ZJUUUORDSA-N 1 2 203.276 2.620 20 0 BFADLO Cc1coc(C[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000886052421 592140926 /nfs/dbraw/zinc/14/09/26/592140926.db2.gz QGMBKSINRSYZIY-SNVBAGLBSA-N 1 2 248.330 2.680 20 0 BFADLO COc1cccc2cc(C[NH2+]CC(F)F)oc21 ZINC000136573374 592148542 /nfs/dbraw/zinc/14/85/42/592148542.db2.gz NJZNOIPCKFAWLB-UHFFFAOYSA-N 1 2 241.237 2.796 20 0 BFADLO FC1(F)CC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886116929 592157146 /nfs/dbraw/zinc/15/71/46/592157146.db2.gz VRARQQFWASVQEE-MNOVXSKESA-N 1 2 215.287 2.764 20 0 BFADLO FC1(F)CC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886116929 592157148 /nfs/dbraw/zinc/15/71/48/592157148.db2.gz VRARQQFWASVQEE-MNOVXSKESA-N 1 2 215.287 2.764 20 0 BFADLO Cc1[nH]nc(CNc2cc(C3CC3)cc[nH+]2)c1C ZINC000886121123 592158146 /nfs/dbraw/zinc/15/81/46/592158146.db2.gz VXSSHFRWADLFBD-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1coc(CNc2c[nH+]cc(N(C)C)c2)c1 ZINC000886174889 592169164 /nfs/dbraw/zinc/16/91/64/592169164.db2.gz LRSGOGNQCKODSV-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1coc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000886183732 592171499 /nfs/dbraw/zinc/17/14/99/592171499.db2.gz LVOSPSAJDGRSFE-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO FC1(F)CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886266848 592190930 /nfs/dbraw/zinc/19/09/30/592190930.db2.gz AFOJOCPRXJGAAC-NEPJUHHUSA-N 1 2 245.313 2.675 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886266848 592190932 /nfs/dbraw/zinc/19/09/32/592190932.db2.gz AFOJOCPRXJGAAC-NEPJUHHUSA-N 1 2 245.313 2.675 20 0 BFADLO COc1cc(C)ccc1C[NH2+][C@H](C)c1ncco1 ZINC000886272640 592192741 /nfs/dbraw/zinc/19/27/41/592192741.db2.gz WVGNLFGIPOLOPL-LLVKDONJSA-N 1 2 246.310 2.842 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2ncco2)cc1F ZINC000886274407 592194473 /nfs/dbraw/zinc/19/44/73/592194473.db2.gz SMNRLEFAINQVQU-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ncco1 ZINC000886274376 592194627 /nfs/dbraw/zinc/19/46/27/592194627.db2.gz RKMFXEYFTRCSFV-SNVBAGLBSA-N 1 2 244.294 2.556 20 0 BFADLO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000886628350 592280493 /nfs/dbraw/zinc/28/04/93/592280493.db2.gz NVNVHFUAFMHQRR-BBBLOLIVSA-N 1 2 239.281 2.875 20 0 BFADLO C[C@@H]([NH2+]Cc1cscc1Cl)c1ncc[nH]1 ZINC000886658054 592291589 /nfs/dbraw/zinc/29/15/89/592291589.db2.gz NRWXYLDGLGBWOH-SSDOTTSWSA-N 1 2 241.747 2.975 20 0 BFADLO FC(F)C[N@H+](C[C@@H]1CCCCO1)C1CCC1 ZINC000887097185 592440060 /nfs/dbraw/zinc/44/00/60/592440060.db2.gz JDIULXRDPRARLP-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](C[C@@H]1CCCCO1)C1CCC1 ZINC000887097185 592440062 /nfs/dbraw/zinc/44/00/62/592440062.db2.gz JDIULXRDPRARLP-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO CCSCC[N@H+](CC(F)F)C1CCC1 ZINC000887099178 592441324 /nfs/dbraw/zinc/44/13/24/592441324.db2.gz UYPVFZJPJXNORJ-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CCSCC[N@@H+](CC(F)F)C1CCC1 ZINC000887099178 592441327 /nfs/dbraw/zinc/44/13/27/592441327.db2.gz UYPVFZJPJXNORJ-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO FC(F)C[N@H+](CCOC1CCC1)C1CCC1 ZINC000887102217 592443288 /nfs/dbraw/zinc/44/32/88/592443288.db2.gz HSRBPLKBFSFVHM-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](CCOC1CCC1)C1CCC1 ZINC000887102217 592443290 /nfs/dbraw/zinc/44/32/90/592443290.db2.gz HSRBPLKBFSFVHM-UHFFFAOYSA-N 1 2 233.302 2.675 20 0 BFADLO C[N@H+](CCCF)Cc1scnc1Cl ZINC000887143574 592459657 /nfs/dbraw/zinc/45/96/57/592459657.db2.gz GPRAMLUJFORRGY-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO C[N@@H+](CCCF)Cc1scnc1Cl ZINC000887143574 592459661 /nfs/dbraw/zinc/45/96/61/592459661.db2.gz GPRAMLUJFORRGY-UHFFFAOYSA-N 1 2 222.716 2.588 20 0 BFADLO CCCCCCC(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000140530663 592474121 /nfs/dbraw/zinc/47/41/21/592474121.db2.gz IQIUVVLIRFSDNP-NSHDSACASA-N 1 2 237.347 2.947 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000301733405 592538438 /nfs/dbraw/zinc/53/84/38/592538438.db2.gz NDGHIVCJARCYBP-SWLSCSKDSA-N 1 2 248.370 2.980 20 0 BFADLO CC[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCOC1 ZINC000301733405 592538440 /nfs/dbraw/zinc/53/84/40/592538440.db2.gz NDGHIVCJARCYBP-SWLSCSKDSA-N 1 2 248.370 2.980 20 0 BFADLO CCCC(=CC(=O)NCc1cn(C)c[nH+]1)CCC ZINC000890109424 592682593 /nfs/dbraw/zinc/68/25/93/592682593.db2.gz NOFFHZGHJAOUMI-UHFFFAOYSA-N 1 2 249.358 2.563 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@H]2C)cn1 ZINC000891698807 631455592 /nfs/dbraw/zinc/45/55/92/631455592.db2.gz KLLQCVBKRZPFIP-CYBMUJFWSA-N 1 2 248.370 2.501 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@H]2C)cn1 ZINC000891698807 631455593 /nfs/dbraw/zinc/45/55/93/631455593.db2.gz KLLQCVBKRZPFIP-CYBMUJFWSA-N 1 2 248.370 2.501 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000934025250 631602179 /nfs/dbraw/zinc/60/21/79/631602179.db2.gz CVQOSOSZGQJBKF-MRVPVSSYSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000934025250 631602182 /nfs/dbraw/zinc/60/21/82/631602182.db2.gz CVQOSOSZGQJBKF-MRVPVSSYSA-N 1 2 246.137 2.560 20 0 BFADLO C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H]1CO ZINC000934025240 631602940 /nfs/dbraw/zinc/60/29/40/631602940.db2.gz CPCABSSCSLEOLD-PSASIEDQSA-N 1 2 243.709 2.607 20 0 BFADLO C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H]1CO ZINC000934025240 631602944 /nfs/dbraw/zinc/60/29/44/631602944.db2.gz CPCABSSCSLEOLD-PSASIEDQSA-N 1 2 243.709 2.607 20 0 BFADLO OC[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000934015482 631607158 /nfs/dbraw/zinc/60/71/58/631607158.db2.gz ZIDLJDLZQCIQTG-SECBINFHSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@H]1CC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000934015482 631607161 /nfs/dbraw/zinc/60/71/61/631607161.db2.gz ZIDLJDLZQCIQTG-SECBINFHSA-N 1 2 246.137 2.560 20 0 BFADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccc[nH]1 ZINC000309104919 631883124 /nfs/dbraw/zinc/88/31/24/631883124.db2.gz HOMQLKHRZGXXGR-ZETCQYMHSA-N 1 2 241.747 2.975 20 0 BFADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccc[nH]1 ZINC000309104918 632640599 /nfs/dbraw/zinc/64/05/99/632640599.db2.gz HOMQLKHRZGXXGR-SSDOTTSWSA-N 1 2 241.747 2.975 20 0 BFADLO Cc1cc(NCc2cocn2)nc(C2CCC2)[nH+]1 ZINC000892414245 632655756 /nfs/dbraw/zinc/65/57/56/632655756.db2.gz XLNVUAMFHAEDME-UHFFFAOYSA-N 1 2 244.298 2.653 20 0 BFADLO CCc1cc(CNc2cc[nH+]cc2Cl)n[nH]1 ZINC000309942329 632686102 /nfs/dbraw/zinc/68/61/02/632686102.db2.gz CBEXAXDNBKYYFB-UHFFFAOYSA-N 1 2 236.706 2.633 20 0 BFADLO C[C@H]1C[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000306571158 635969346 /nfs/dbraw/zinc/96/93/46/635969346.db2.gz ZZPSHQVZZGJNOZ-OCAPTIKFSA-N 1 2 230.764 2.884 20 0 BFADLO C[C@H]1C[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000306571158 635969352 /nfs/dbraw/zinc/96/93/52/635969352.db2.gz ZZPSHQVZZGJNOZ-OCAPTIKFSA-N 1 2 230.764 2.884 20 0 BFADLO C[C@@H](CCO)[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925101175 636008895 /nfs/dbraw/zinc/00/88/95/636008895.db2.gz JDELKQKMYXJRKR-QWRGUYRKSA-N 1 2 243.297 2.527 20 0 BFADLO C[C@H](CCO)[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000925101173 636009285 /nfs/dbraw/zinc/00/92/85/636009285.db2.gz JDELKQKMYXJRKR-GHMZBOCLSA-N 1 2 243.297 2.527 20 0 BFADLO Cc1cc(N2CC=CCC2)nc(C2CCC2)[nH+]1 ZINC000893103489 633835828 /nfs/dbraw/zinc/83/58/28/633835828.db2.gz OKJLRILZTKTGGE-UHFFFAOYSA-N 1 2 229.327 2.819 20 0 BFADLO CCCCn1nc(C)c(C[NH2+]CCF)c1Cl ZINC000309506155 633940948 /nfs/dbraw/zinc/94/09/48/633940948.db2.gz BYWNDBUFXXBHNK-UHFFFAOYSA-N 1 2 247.745 2.704 20 0 BFADLO Fc1cccc(C[NH2+]Cc2ccc(Cl)o2)n1 ZINC000309510838 633941058 /nfs/dbraw/zinc/94/10/58/633941058.db2.gz PFNKUNDOVYQORA-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1C ZINC000894787803 635925086 /nfs/dbraw/zinc/92/50/86/635925086.db2.gz VZPSWSCAJIQVLF-CYBMUJFWSA-N 1 2 233.359 2.649 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1C ZINC000894787803 635925091 /nfs/dbraw/zinc/92/50/91/635925091.db2.gz VZPSWSCAJIQVLF-CYBMUJFWSA-N 1 2 233.359 2.649 20 0 BFADLO Cc1ncoc1CNc1c[nH+]c(C)c(C)c1 ZINC000895644480 636171054 /nfs/dbraw/zinc/17/10/54/636171054.db2.gz BAZZZINONBQIMS-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1C ZINC000067647685 636758066 /nfs/dbraw/zinc/75/80/66/636758066.db2.gz RXEFOIVGLFTRFF-AATRIKPKSA-N 1 2 226.279 2.923 20 0 BFADLO C[C@H]1OCC[C@H]1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376190 636812388 /nfs/dbraw/zinc/81/23/88/636812388.db2.gz CZACREXFIYWESU-MNOVXSKESA-N 1 2 222.332 2.606 20 0 BFADLO CCCC[N@H+](C)Cc1c(F)cncc1F ZINC000929125350 636814006 /nfs/dbraw/zinc/81/40/06/636814006.db2.gz QFUIFRQHFVZXIF-UHFFFAOYSA-N 1 2 214.259 2.592 20 0 BFADLO CCCC[N@@H+](C)Cc1c(F)cncc1F ZINC000929125350 636814010 /nfs/dbraw/zinc/81/40/10/636814010.db2.gz QFUIFRQHFVZXIF-UHFFFAOYSA-N 1 2 214.259 2.592 20 0 BFADLO CC[NH2+]Cc1noc([C@H](C)c2ccccc2C)n1 ZINC000904494971 637422512 /nfs/dbraw/zinc/42/25/12/637422512.db2.gz OJWVSBYACNORJZ-LLVKDONJSA-N 1 2 245.326 2.639 20 0 BFADLO CC[NH2+]Cc1noc([C@]2(C)CCC(C)=C(C)C2)n1 ZINC000904495447 637424189 /nfs/dbraw/zinc/42/41/89/637424189.db2.gz VAZDSJJMXFLZRG-CQSZACIVSA-N 1 2 249.358 2.957 20 0 BFADLO CCNc1ccc(-c2cc[nH+]c(N(C)C)c2)cn1 ZINC000904848282 637504367 /nfs/dbraw/zinc/50/43/67/637504367.db2.gz AXGXVDOHVHLKGH-UHFFFAOYSA-N 1 2 242.326 2.641 20 0 BFADLO c1[nH+]c2n(c1-c1cccc3c1CCO3)CCCC2 ZINC000904901192 637529342 /nfs/dbraw/zinc/52/93/42/637529342.db2.gz RDXARCPDYVPGKB-UHFFFAOYSA-N 1 2 240.306 2.821 20 0 BFADLO CC(C)(C)c1cn(C[C@@H]2C[C@]23CCOC3)c[nH+]1 ZINC000905237417 637722240 /nfs/dbraw/zinc/72/22/40/637722240.db2.gz MUAUBJMNWFCMJW-FZMZJTMJSA-N 1 2 234.343 2.607 20 0 BFADLO Cc1cc(C)c(C(=O)N2C3CCC2CC3)c(C)[nH+]1 ZINC000905734334 637903326 /nfs/dbraw/zinc/90/33/26/637903326.db2.gz OIAZBXYAILYUJY-UHFFFAOYSA-N 1 2 244.338 2.774 20 0 BFADLO Cc1cc(C)c(C(=O)NCC2CCCC2)c(C)[nH+]1 ZINC000906075655 638055065 /nfs/dbraw/zinc/05/50/65/638055065.db2.gz QBRCJQMAQXHEFA-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO CNc1cccc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC000906177067 638087993 /nfs/dbraw/zinc/08/79/93/638087993.db2.gz NNMLLQZGLPEWPI-UHFFFAOYSA-N 1 2 239.322 2.791 20 0 BFADLO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccsc1 ZINC000906300031 638136801 /nfs/dbraw/zinc/13/68/01/638136801.db2.gz LZIORYJDBSMUGH-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC(C)(C)C2)c(C)[nH+]1 ZINC000906841006 638254886 /nfs/dbraw/zinc/25/48/86/638254886.db2.gz WKBIWURYYGCMDV-UHFFFAOYSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)NCCC2(C)CC2)c(C)[nH+]1 ZINC000907858733 638489419 /nfs/dbraw/zinc/48/94/19/638489419.db2.gz GIZVLGHMMMQZAG-UHFFFAOYSA-N 1 2 246.354 2.927 20 0 BFADLO CCCC[C@H](C)N(C)C(=O)CNc1cccc[nH+]1 ZINC000908306064 638651308 /nfs/dbraw/zinc/65/13/08/638651308.db2.gz RAEXQQNIAWNRFA-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930243632 639654299 /nfs/dbraw/zinc/65/42/99/639654299.db2.gz HVVLAJFEMHHKAU-FOGDFJRCSA-N 1 2 240.297 2.962 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000930243632 639654301 /nfs/dbraw/zinc/65/43/01/639654301.db2.gz HVVLAJFEMHHKAU-FOGDFJRCSA-N 1 2 240.297 2.962 20 0 BFADLO OCC[N@H+](CC(F)F)CC1CCC2(CC2)CC1 ZINC000930286332 639681747 /nfs/dbraw/zinc/68/17/47/639681747.db2.gz KEGRYGYKAQYXBM-UHFFFAOYSA-N 1 2 247.329 2.516 20 0 BFADLO OCC[N@@H+](CC(F)F)CC1CCC2(CC2)CC1 ZINC000930286332 639681749 /nfs/dbraw/zinc/68/17/49/639681749.db2.gz KEGRYGYKAQYXBM-UHFFFAOYSA-N 1 2 247.329 2.516 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000930511983 639791711 /nfs/dbraw/zinc/79/17/11/639791711.db2.gz AFKKGTILBXXLLU-UWVGGRQHSA-N 1 2 241.285 2.515 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000930511983 639791718 /nfs/dbraw/zinc/79/17/18/639791718.db2.gz AFKKGTILBXXLLU-UWVGGRQHSA-N 1 2 241.285 2.515 20 0 BFADLO CC[C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930631932 639833690 /nfs/dbraw/zinc/83/36/90/639833690.db2.gz XAYAVCDRBXCHGL-VHSXEESVSA-N 1 2 245.326 2.727 20 0 BFADLO CC[N@@H+](Cc1nn(C)cc1C)Cc1occc1C ZINC000930726338 639879642 /nfs/dbraw/zinc/87/96/42/639879642.db2.gz NJKJFNMZYQFPIB-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO CC[N@H+](Cc1nn(C)cc1C)Cc1occc1C ZINC000930726338 639879648 /nfs/dbraw/zinc/87/96/48/639879648.db2.gz NJKJFNMZYQFPIB-UHFFFAOYSA-N 1 2 247.342 2.652 20 0 BFADLO CCC(C)(C)CC[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931135151 640073091 /nfs/dbraw/zinc/07/30/91/640073091.db2.gz TYJUDADURJCWDU-NSHDSACASA-N 1 2 236.363 2.768 20 0 BFADLO CCC(C)(C)CC[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931135151 640073096 /nfs/dbraw/zinc/07/30/96/640073096.db2.gz TYJUDADURJCWDU-NSHDSACASA-N 1 2 236.363 2.768 20 0 BFADLO Cc1cc(C)c(C(=O)NC2CC(C)(C)C2)c(C)[nH+]1 ZINC000912723677 640179726 /nfs/dbraw/zinc/17/97/26/640179726.db2.gz NSTPFAMQOUTGCO-UHFFFAOYSA-N 1 2 246.354 2.925 20 0 BFADLO CC1(C)C[C@@H](C[N@@H+]2CC[C@H]2C(F)F)C(C)(C)O1 ZINC000931424500 640193964 /nfs/dbraw/zinc/19/39/64/640193964.db2.gz HQYXBVGVNQZIQF-UWVGGRQHSA-N 1 2 247.329 2.920 20 0 BFADLO CC1(C)C[C@@H](C[N@H+]2CC[C@H]2C(F)F)C(C)(C)O1 ZINC000931424500 640193970 /nfs/dbraw/zinc/19/39/70/640193970.db2.gz HQYXBVGVNQZIQF-UWVGGRQHSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC3CC2(C)C3)c(C)[nH+]1 ZINC000912770256 640198392 /nfs/dbraw/zinc/19/83/92/640198392.db2.gz UVWBSPNVHPIIMB-UHFFFAOYSA-N 1 2 244.338 2.631 20 0 BFADLO Fc1cccc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000932529842 640571403 /nfs/dbraw/zinc/57/14/03/640571403.db2.gz DBQKMJRVUUHDIC-UHFFFAOYSA-N 1 2 230.286 2.643 20 0 BFADLO Fc1cccc(C[N@H+]2CCn3cccc3C2)c1 ZINC000932529842 640571407 /nfs/dbraw/zinc/57/14/07/640571407.db2.gz DBQKMJRVUUHDIC-UHFFFAOYSA-N 1 2 230.286 2.643 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(F)cc2C)n1 ZINC000932556286 640574931 /nfs/dbraw/zinc/57/49/31/640574931.db2.gz JZSUQUNGUULDBZ-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)cc[nH+]1 ZINC000932606480 640582377 /nfs/dbraw/zinc/58/23/77/640582377.db2.gz KBPVJFYZXBLQMG-FPMFFAJLSA-N 1 2 244.338 2.577 20 0 BFADLO C[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C=CCC1 ZINC000932615816 640589151 /nfs/dbraw/zinc/58/91/51/640589151.db2.gz VMGJVZIUELQTOF-AWEZNQCLSA-N 1 2 241.294 2.629 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932813564 640612781 /nfs/dbraw/zinc/61/27/81/640612781.db2.gz GKQNXGAINRPBRQ-UHFFFAOYSA-N 1 2 247.329 2.659 20 0 BFADLO C[C@H]1C(=O)CCC[N@H+]1CCCCOC(C)(C)C ZINC000932847373 640615526 /nfs/dbraw/zinc/61/55/26/640615526.db2.gz PJMBARFQJAHPFI-LBPRGKRZSA-N 1 2 241.375 2.635 20 0 BFADLO C[C@H]1C(=O)CCC[N@@H+]1CCCCOC(C)(C)C ZINC000932847373 640615530 /nfs/dbraw/zinc/61/55/30/640615530.db2.gz PJMBARFQJAHPFI-LBPRGKRZSA-N 1 2 241.375 2.635 20 0 BFADLO Cc1cccc(F)c1CNc1cc[nH+]c(C)n1 ZINC000078473273 640714858 /nfs/dbraw/zinc/71/48/58/640714858.db2.gz XNBKHJYOZRHABO-UHFFFAOYSA-N 1 2 231.274 2.845 20 0 BFADLO CCC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCC1 ZINC000934057919 640810448 /nfs/dbraw/zinc/81/04/48/640810448.db2.gz RBKGSFPAHJFXAJ-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000934578574 641206496 /nfs/dbraw/zinc/20/64/96/641206496.db2.gz FRIRDSSSRQGOFQ-NXEZZACHSA-N 1 2 243.310 2.576 20 0 BFADLO Clc1csc(C[NH2+]Cc2ccon2)c1 ZINC000088052848 641281539 /nfs/dbraw/zinc/28/15/39/641281539.db2.gz GIKYVSGRJMNSNP-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO C[C@@H](c1nc([C@@H]2CCC[C@@H](C)C2)no1)[NH+](C)C ZINC000350592748 641364165 /nfs/dbraw/zinc/36/41/65/641364165.db2.gz HNBXELZCGXDLOV-OUAUKWLOSA-N 1 2 237.347 2.986 20 0 BFADLO Cc1ccc(Cc2noc([C@H](C)[NH+](C)C)n2)cc1 ZINC000350603327 641372479 /nfs/dbraw/zinc/37/24/79/641372479.db2.gz VCIUWEZCMXJLDF-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2ccon2)c1C ZINC000929694308 641401288 /nfs/dbraw/zinc/40/12/88/641401288.db2.gz AAKRWDIAMKTGCF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2ccon2)c1C ZINC000929694308 641401290 /nfs/dbraw/zinc/40/12/90/641401290.db2.gz AAKRWDIAMKTGCF-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO C[C@]1(C(=O)Nc2ccn3cc[nH+]c3c2)C=CCC1 ZINC000935759621 641476112 /nfs/dbraw/zinc/47/61/12/641476112.db2.gz NGPRBBVWHWZCQX-AWEZNQCLSA-N 1 2 241.294 2.629 20 0 BFADLO COC(=O)c1sccc1C[N@@H+]1CCC1(C)C ZINC000088525618 641531117 /nfs/dbraw/zinc/53/11/17/641531117.db2.gz WMSPSFPQLLURHI-UHFFFAOYSA-N 1 2 239.340 2.519 20 0 BFADLO COC(=O)c1sccc1C[N@H+]1CCC1(C)C ZINC000088525618 641531122 /nfs/dbraw/zinc/53/11/22/641531122.db2.gz WMSPSFPQLLURHI-UHFFFAOYSA-N 1 2 239.340 2.519 20 0 BFADLO C/C=C/C=C/C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152746184 641640186 /nfs/dbraw/zinc/64/01/86/641640186.db2.gz BESXAMXVTWKZEM-BSWSSELBSA-N 1 2 245.326 2.527 20 0 BFADLO C[C@H]([N@H+](C)Cn1ncsc1=S)C(C)(C)C ZINC000914568372 641736681 /nfs/dbraw/zinc/73/66/81/641736681.db2.gz FYAKUXYUCBPQPO-QMMMGPOBSA-N 1 2 245.417 2.998 20 0 BFADLO C[C@H]([N@@H+](C)Cn1ncsc1=S)C(C)(C)C ZINC000914568372 641736682 /nfs/dbraw/zinc/73/66/82/641736682.db2.gz FYAKUXYUCBPQPO-QMMMGPOBSA-N 1 2 245.417 2.998 20 0 BFADLO Fc1ccc(OCCn2cc[nH+]c2)cc1Cl ZINC000915658759 641849783 /nfs/dbraw/zinc/84/97/83/641849783.db2.gz FKXZZJXZZAZZAD-UHFFFAOYSA-N 1 2 240.665 2.755 20 0 BFADLO CC[C@H](C)CC(=O)NNc1cc[nH+]cc1Cl ZINC000190297040 641857006 /nfs/dbraw/zinc/85/70/06/641857006.db2.gz BLTRWXRMBCAWDG-QMMMGPOBSA-N 1 2 241.722 2.614 20 0 BFADLO CC1=NO[C@H](CSc2[nH+]cc3ccccn32)C1 ZINC000916104410 641903639 /nfs/dbraw/zinc/90/36/39/641903639.db2.gz VKTZFCAVBYEILM-NSHDSACASA-N 1 2 247.323 2.591 20 0 BFADLO C=CCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175472224 642685207 /nfs/dbraw/zinc/68/52/07/642685207.db2.gz HTIFCUNXICECRI-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO C=CCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175472224 642685209 /nfs/dbraw/zinc/68/52/09/642685209.db2.gz HTIFCUNXICECRI-AWEZNQCLSA-N 1 2 247.338 2.799 20 0 BFADLO CCCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181985706 642936409 /nfs/dbraw/zinc/93/64/09/642936409.db2.gz TWLRSNLWMUUSQH-ZDUSSCGKSA-N 1 2 235.327 2.633 20 0 BFADLO CC[C@H](C)COC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181985120 642938221 /nfs/dbraw/zinc/93/82/21/642938221.db2.gz LVPBKSLWXQUQTF-JSGCOSHPSA-N 1 2 249.354 2.879 20 0 BFADLO Cc1nonc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000070261836 643008972 /nfs/dbraw/zinc/00/89/72/643008972.db2.gz NOWAHHBPXUEINU-SNVBAGLBSA-N 1 2 249.339 2.607 20 0 BFADLO C[C@H]1CCC[C@H]1[NH2+]CC(F)(F)Br ZINC000306754376 643231823 /nfs/dbraw/zinc/23/18/23/643231823.db2.gz KBCHVBGQMLIYHT-NKWVEPMBSA-N 1 2 242.107 2.752 20 0 BFADLO CSCc1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000816646918 643555519 /nfs/dbraw/zinc/55/55/19/643555519.db2.gz KVLAXQKFLZSJLK-BDAKNGLRSA-N 1 2 242.413 2.846 20 0 BFADLO CSCc1cnc(C[N@H+]2C[C@@H](C)[C@@H]2C)s1 ZINC000816646918 643555534 /nfs/dbraw/zinc/55/55/34/643555534.db2.gz KVLAXQKFLZSJLK-BDAKNGLRSA-N 1 2 242.413 2.846 20 0 BFADLO CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764828 643675557 /nfs/dbraw/zinc/67/55/57/643675557.db2.gz XQWUHTFHIKDYBI-LLVKDONJSA-N 1 2 245.326 2.659 20 0 BFADLO Cn1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)c1 ZINC000921811389 643800863 /nfs/dbraw/zinc/80/08/63/643800863.db2.gz NQVRVUQXDDSJQT-UHFFFAOYSA-N 1 2 247.342 2.600 20 0 BFADLO Nc1[nH+]cccc1COC(=O)CC1CCCCC1 ZINC000922164770 643887675 /nfs/dbraw/zinc/88/76/75/643887675.db2.gz RKJULYMZEYVROS-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO Nc1ccc(COC(=O)CCC2CCCC2)c[nH+]1 ZINC000922178409 643892556 /nfs/dbraw/zinc/89/25/56/643892556.db2.gz QJYOXVSFWDXHOG-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)c2ncco2)c(C)c1 ZINC000922339141 643976277 /nfs/dbraw/zinc/97/62/77/643976277.db2.gz VWZCARUXZMXQJS-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO Nc1ccc(COC(=O)C=C2CCCCC2)c[nH+]1 ZINC000922378345 643981142 /nfs/dbraw/zinc/98/11/42/643981142.db2.gz PUGHWXMMHXLBQV-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C[C@@H]1CCC[C@@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922483747 644002721 /nfs/dbraw/zinc/00/27/21/644002721.db2.gz BNNSWGNRHDMYQL-GHMZBOCLSA-N 1 2 248.326 2.533 20 0 BFADLO CC(C(=O)OCc1ccc[nH+]c1N)=C1CCCC1 ZINC000922516511 644008480 /nfs/dbraw/zinc/00/84/80/644008480.db2.gz LBHHADQLCNFNNI-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000922521882 644013025 /nfs/dbraw/zinc/01/30/25/644013025.db2.gz ZZXWJYBXLWLPJY-JSGCOSHPSA-N 1 2 246.285 2.576 20 0 BFADLO C/C=C(/C=C\C(=O)OCc1ccc[nH+]c1N)CC ZINC000922537572 644016389 /nfs/dbraw/zinc/01/63/89/644016389.db2.gz GAGGNIDLOITUHT-BTMWQIBTSA-N 1 2 246.310 2.620 20 0 BFADLO CCCC[C@@H](C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922704017 644071125 /nfs/dbraw/zinc/07/11/25/644071125.db2.gz BQCCJZBVUFSNDY-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO C[C@H]1CCC[C@]1(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922770968 644093084 /nfs/dbraw/zinc/09/30/84/644093084.db2.gz UGESBGDYTKMWGI-HZMBPMFUSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCCC[C@H]1C(=O)OCc1ccc[nH+]c1N ZINC000922808543 644101594 /nfs/dbraw/zinc/10/15/94/644101594.db2.gz ALWXNKXTTVQVIJ-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO CCCC(C)(C)C(=O)OCc1ccc[nH+]c1N ZINC000922841708 644116797 /nfs/dbraw/zinc/11/67/97/644116797.db2.gz FKZZKRDATNEATJ-UHFFFAOYSA-N 1 2 236.315 2.533 20 0 BFADLO CCC[C@@H](CC)C(=O)OCc1ccc[nH+]c1N ZINC000922925480 644189928 /nfs/dbraw/zinc/18/99/28/644189928.db2.gz QEBUSZVHWLWUAH-SNVBAGLBSA-N 1 2 236.315 2.533 20 0 BFADLO CC(C)[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194974763 644354439 /nfs/dbraw/zinc/35/44/39/644354439.db2.gz RBFOJDNRCFYFAP-GXTWGEPZSA-N 1 2 249.354 2.877 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccon2)c(C)s1 ZINC000087781870 644503264 /nfs/dbraw/zinc/50/32/64/644503264.db2.gz IYIKLSVZRDWNAC-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO Cc1ccccc1[C@@]1(F)CC[N@H+](CCF)C1 ZINC000800473369 644834565 /nfs/dbraw/zinc/83/45/65/644834565.db2.gz UEQSWLCHAFJGTJ-CYBMUJFWSA-N 1 2 225.282 2.835 20 0 BFADLO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCF)C1 ZINC000800473369 644834567 /nfs/dbraw/zinc/83/45/67/644834567.db2.gz UEQSWLCHAFJGTJ-CYBMUJFWSA-N 1 2 225.282 2.835 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccc(C)c(F)c2)co1 ZINC000825051046 645060255 /nfs/dbraw/zinc/06/02/55/645060255.db2.gz UXMZJELOPFPWCV-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ncco2)cc(C)n1 ZINC000926600634 645306909 /nfs/dbraw/zinc/30/69/09/645306909.db2.gz KHSPZBRRVOOODK-LLVKDONJSA-N 1 2 231.299 2.537 20 0 BFADLO Cc1cc(N[C@H](C)c2ccnnc2)c[nH+]c1C ZINC000926854586 645457774 /nfs/dbraw/zinc/45/77/74/645457774.db2.gz CNXPVSJSZHDYAV-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1ccccc1C1CC1 ZINC000851873684 645469916 /nfs/dbraw/zinc/46/99/16/645469916.db2.gz JGAWAOLEPQPFDN-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccccc1C1CC1 ZINC000851873684 645469926 /nfs/dbraw/zinc/46/99/26/645469926.db2.gz JGAWAOLEPQPFDN-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930243633 645515923 /nfs/dbraw/zinc/51/59/23/645515923.db2.gz HVVLAJFEMHHKAU-JFGNBEQYSA-N 1 2 240.297 2.962 20 0 BFADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930243633 645515927 /nfs/dbraw/zinc/51/59/27/645515927.db2.gz HVVLAJFEMHHKAU-JFGNBEQYSA-N 1 2 240.297 2.962 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccco1 ZINC000927113518 645552727 /nfs/dbraw/zinc/55/27/27/645552727.db2.gz ZPPURMUJHLHJLT-SNVBAGLBSA-N 1 2 245.326 2.741 20 0 BFADLO O=C(NC1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000929118094 645953063 /nfs/dbraw/zinc/95/30/63/645953063.db2.gz KPQOQJXCVBRAJP-UHFFFAOYSA-N 1 2 243.310 2.625 20 0 BFADLO C[C@@H](c1ncccn1)[N@H+](C)Cc1ccc(F)cc1 ZINC000929135614 645962916 /nfs/dbraw/zinc/96/29/16/645962916.db2.gz GDCWAEPVAAOTKN-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ncccn1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000929135614 645962922 /nfs/dbraw/zinc/96/29/22/645962922.db2.gz GDCWAEPVAAOTKN-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929232960 646024569 /nfs/dbraw/zinc/02/45/69/646024569.db2.gz AXUSSGAJIAECOH-SNVBAGLBSA-N 1 2 243.310 2.578 20 0 BFADLO C[N@H+](CCCc1ccccc1)Cc1nncs1 ZINC000929262279 646045149 /nfs/dbraw/zinc/04/51/49/646045149.db2.gz HADXKHUVYWTUGF-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO C[N@@H+](CCCc1ccccc1)Cc1nncs1 ZINC000929262279 646045152 /nfs/dbraw/zinc/04/51/52/646045152.db2.gz HADXKHUVYWTUGF-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO Cc1ccc(F)c(C[NH+]2CCSCC2)c1F ZINC000929277780 646056141 /nfs/dbraw/zinc/05/61/41/646056141.db2.gz SCPURDXNACUDEQ-UHFFFAOYSA-N 1 2 243.322 2.822 20 0 BFADLO CCc1ncc(C[N@@H+](CC)Cc2ccoc2)o1 ZINC000929477665 646133120 /nfs/dbraw/zinc/13/31/20/646133120.db2.gz FHXJVJPGIWJNCP-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO CCc1ncc(C[N@H+](CC)Cc2ccoc2)o1 ZINC000929477665 646133126 /nfs/dbraw/zinc/13/31/26/646133126.db2.gz FHXJVJPGIWJNCP-UHFFFAOYSA-N 1 2 234.299 2.852 20 0 BFADLO COC[C@H](C[N@H+](CC(F)F)C1CC1)C(C)C ZINC000929597772 646191110 /nfs/dbraw/zinc/19/11/10/646191110.db2.gz LXZKXSIYWWQCSP-JTQLQIEISA-N 1 2 235.318 2.635 20 0 BFADLO COC[C@H](C[N@@H+](CC(F)F)C1CC1)C(C)C ZINC000929597772 646191114 /nfs/dbraw/zinc/19/11/14/646191114.db2.gz LXZKXSIYWWQCSP-JTQLQIEISA-N 1 2 235.318 2.635 20 0 BFADLO Cc1cn(C)nc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000929767701 646297798 /nfs/dbraw/zinc/29/77/98/646297798.db2.gz UZUHGYZHUOEHSM-LBPRGKRZSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1cn(C)nc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000929767701 646297803 /nfs/dbraw/zinc/29/78/03/646297803.db2.gz UZUHGYZHUOEHSM-LBPRGKRZSA-N 1 2 241.338 2.805 20 0 BFADLO CCOC(=O)/C=C/C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000929766174 646298064 /nfs/dbraw/zinc/29/80/64/646298064.db2.gz JIEYKUICTQPXBK-UVMWJGKXSA-N 1 2 245.322 2.683 20 0 BFADLO CCOC(=O)/C=C/C[N@H+]1Cc2ccccc2[C@H]1C ZINC000929766174 646298067 /nfs/dbraw/zinc/29/80/67/646298067.db2.gz JIEYKUICTQPXBK-UVMWJGKXSA-N 1 2 245.322 2.683 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCOC1)C(F)(F)c1ccccc1 ZINC000925618680 646365544 /nfs/dbraw/zinc/36/55/44/646365544.db2.gz XDOSHHTYWWJZAP-CMPLNLGQSA-N 1 2 241.281 2.545 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccnnc1 ZINC000926028588 646562194 /nfs/dbraw/zinc/56/21/94/646562194.db2.gz UAKBFIRFLZTASG-LLVKDONJSA-N 1 2 242.326 2.716 20 0 BFADLO CO[C@@H](C)C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926242500 646603274 /nfs/dbraw/zinc/60/32/74/646603274.db2.gz BLQQSNKSOWCZCC-QWRGUYRKSA-N 1 2 243.297 2.791 20 0 BFADLO CC[C@@H](Nc1cccc[nH+]1)[C@@H]1CCCOC1 ZINC000723856458 711539518 /nfs/dbraw/zinc/53/95/18/711539518.db2.gz BKYHPJSXHKJUEG-VXGBXAGGSA-N 1 2 220.316 2.699 20 0 BFADLO C[C@H]([NH2+][C@H]1CC12CCCC2)C(=O)OC(C)(C)C ZINC000387324793 711787813 /nfs/dbraw/zinc/78/78/13/711787813.db2.gz RKAOPZQTZBWALW-QWRGUYRKSA-N 1 2 239.359 2.639 20 0 BFADLO CC1(C)CC[C@H](CNc2cccc[nH+]2)OC1 ZINC000710835223 712258044 /nfs/dbraw/zinc/25/80/44/712258044.db2.gz VRKUXEACOVROKL-LLVKDONJSA-N 1 2 220.316 2.699 20 0 BFADLO CCOCC[N@H+](CC)C/C(Cl)=C\Cl ZINC000388216931 711055302 /nfs/dbraw/zinc/05/53/02/711055302.db2.gz GRNIGGLTTCJOFF-VQHVLOKHSA-N 1 2 226.147 2.664 20 0 BFADLO CCOCC[N@@H+](CC)C/C(Cl)=C\Cl ZINC000388216931 711055305 /nfs/dbraw/zinc/05/53/05/711055305.db2.gz GRNIGGLTTCJOFF-VQHVLOKHSA-N 1 2 226.147 2.664 20 0 BFADLO CN(C)c1ccc([NH2+]CC2(C)CC2)cc1 ZINC000389936842 711099070 /nfs/dbraw/zinc/09/90/70/711099070.db2.gz NFSNJSVGRILJKZ-UHFFFAOYSA-N 1 2 204.317 2.965 20 0 BFADLO Cc1cccc(F)c1C[NH2+]Cc1cscn1 ZINC000390581502 711127020 /nfs/dbraw/zinc/12/70/20/711127020.db2.gz XAEPUUUTWRKUFD-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCc1cocn1 ZINC000395094800 711201717 /nfs/dbraw/zinc/20/17/17/711201717.db2.gz DMOFQGDVGKNTKL-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO Cc1cc(C)c(CNc2nccs2)c[nH+]1 ZINC000397033190 711375169 /nfs/dbraw/zinc/37/51/69/711375169.db2.gz PRQFZWISYRIYFM-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@H](C)[C@@H]2C)ccc1[NH+](C)C ZINC000926052515 711478188 /nfs/dbraw/zinc/47/81/88/711478188.db2.gz INIKVEJEEVWHQI-OUCADQQQSA-N 1 2 248.370 2.896 20 0 BFADLO CNc1cc(N[C@H](C)Cc2cccs2)[nH+]cn1 ZINC000133356067 711638025 /nfs/dbraw/zinc/63/80/25/711638025.db2.gz WRUWCHVMTSCEIO-SECBINFHSA-N 1 2 248.355 2.623 20 0 BFADLO C[N@@H+](Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000066349253 711672134 /nfs/dbraw/zinc/67/21/34/711672134.db2.gz DILNOYBPQDINON-UHFFFAOYSA-N 1 2 235.718 2.626 20 0 BFADLO C[N@H+](Cc1ccccc1)Cn1cc(Cl)cn1 ZINC000066349253 711672135 /nfs/dbraw/zinc/67/21/35/711672135.db2.gz DILNOYBPQDINON-UHFFFAOYSA-N 1 2 235.718 2.626 20 0 BFADLO Cc1cc(N[C@H](C)c2cc[nH]c(=O)c2)c[nH+]c1C ZINC000926856383 711689417 /nfs/dbraw/zinc/68/94/17/711689417.db2.gz TZEXNSKMWBILDH-LLVKDONJSA-N 1 2 243.310 2.972 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1COCC1(C)C ZINC000313122829 711713227 /nfs/dbraw/zinc/71/32/27/711713227.db2.gz LJMHMRKKQJZGPY-CQSZACIVSA-N 1 2 248.370 2.898 20 0 BFADLO FC(F)(F)[C@H]1CC[C@@H](CNc2cccc[nH+]2)O1 ZINC000722407213 711754662 /nfs/dbraw/zinc/75/46/62/711754662.db2.gz ODQUMZGPAYDHLE-DTWKUNHWSA-N 1 2 246.232 2.603 20 0 BFADLO CC1CC(C[N@H+](CC(F)F)C2CC2)C1 ZINC000929597990 711844005 /nfs/dbraw/zinc/84/40/05/711844005.db2.gz NEYJJSZQAVWWCV-UHFFFAOYSA-N 1 2 203.276 2.762 20 0 BFADLO CC1CC(C[N@@H+](CC(F)F)C2CC2)C1 ZINC000929597990 711844006 /nfs/dbraw/zinc/84/40/06/711844006.db2.gz NEYJJSZQAVWWCV-UHFFFAOYSA-N 1 2 203.276 2.762 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702286648 712044711 /nfs/dbraw/zinc/04/47/11/712044711.db2.gz SIACEFMZNRHRMU-ZETCQYMHSA-N 1 2 211.683 2.781 20 0 BFADLO COc1ccc[nH+]c1NCC[C@H]1CCSC1 ZINC000704767014 712115373 /nfs/dbraw/zinc/11/53/73/712115373.db2.gz CJTFMGXLLYKVRT-JTQLQIEISA-N 1 2 238.356 2.645 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@H]1COC[C@H]1C ZINC000710903036 712261937 /nfs/dbraw/zinc/26/19/37/712261937.db2.gz XXSQEFKXBRPAJI-RISCZKNCSA-N 1 2 234.343 2.508 20 0 BFADLO Cc1nc(N[C@@H]2C[C@@H]3CCCC[C@H]23)cc[nH+]1 ZINC000712444360 712430633 /nfs/dbraw/zinc/43/06/33/712430633.db2.gz VSHXVVXFTZHUIS-SDDRHHMPSA-N 1 2 217.316 2.776 20 0 BFADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1cccc[nH+]1 ZINC000716594091 712564582 /nfs/dbraw/zinc/56/45/82/712564582.db2.gz QBWAPRFTTOJDCN-NOOOWODRSA-N 1 2 202.301 2.786 20 0 BFADLO Cc1nc(NC[C@@H]2CCC3(CCC3)CO2)cc[nH+]1 ZINC000716540597 712567241 /nfs/dbraw/zinc/56/72/41/712567241.db2.gz CWJILGXABDXSCP-LBPRGKRZSA-N 1 2 247.342 2.546 20 0 BFADLO CCCC1CC[NH+](Cc2cc(C)[nH]n2)CC1 ZINC001203076073 960682007 /nfs/dbraw/zinc/68/20/07/960682007.db2.gz VHIXQJFCNWHATE-UHFFFAOYSA-N 1 2 221.348 2.730 20 0 BFADLO CC1(C)C[N@H+](Cc2ncco2)CCC1(F)F ZINC001141004868 960803601 /nfs/dbraw/zinc/80/36/01/960803601.db2.gz PQNCWOOEAPJPEV-UHFFFAOYSA-N 1 2 230.258 2.542 20 0 BFADLO CC1(C)C[N@@H+](Cc2ncco2)CCC1(F)F ZINC001141004868 960803606 /nfs/dbraw/zinc/80/36/06/960803606.db2.gz PQNCWOOEAPJPEV-UHFFFAOYSA-N 1 2 230.258 2.542 20 0 BFADLO CCCCOC[C@@H](C)Oc1cc[nH+]cc1 ZINC001225290778 962049542 /nfs/dbraw/zinc/04/95/42/962049542.db2.gz HPYROKWRDGKEBO-LLVKDONJSA-N 1 2 209.289 2.666 20 0 BFADLO Cc1nc(NC2(C(F)(F)F)CC2)c(C)c(C)[nH+]1 ZINC001160824717 964413875 /nfs/dbraw/zinc/41/38/75/964413875.db2.gz IYQHFDSVUOVUOC-UHFFFAOYSA-N 1 2 245.248 2.909 20 0 BFADLO COCC(C)(C)Nc1c[nH+]cc(C)c1C ZINC001166039540 966235602 /nfs/dbraw/zinc/23/56/02/966235602.db2.gz SLLQINGOZOWRSM-UHFFFAOYSA-N 1 2 208.305 2.535 20 0 BFADLO CCc1nnc(Nc2ccc(C)[nH+]c2C)s1 ZINC001203363797 966615602 /nfs/dbraw/zinc/61/56/02/966615602.db2.gz XKTGDYNWMITVKD-UHFFFAOYSA-N 1 2 234.328 2.856 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncc(C)n2)c1 ZINC001203654331 966724042 /nfs/dbraw/zinc/72/40/42/966724042.db2.gz HKNVHURXNZHMHU-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO FC1(F)CSC2(C[NH+](Cc3ccoc3)C2)C1 ZINC001204243976 966944547 /nfs/dbraw/zinc/94/45/47/966944547.db2.gz PIIDBRMFIJEQCY-UHFFFAOYSA-N 1 2 245.294 2.606 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(CO)c(C)c1C ZINC001204969256 967263899 /nfs/dbraw/zinc/26/38/99/967263899.db2.gz DEDLXOVTYIANBJ-DXNUHORPSA-N 1 2 217.312 2.671 20 0 BFADLO Fc1ccc(CCn2cc[nH+]c2)c(F)c1F ZINC001250316262 967682041 /nfs/dbraw/zinc/68/20/41/967682041.db2.gz FQWBYXPYKDQWQA-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO CC/C=C\CCC[N@@H+]1CCC[C@H](F)C(=O)C1 ZINC001208135107 969036041 /nfs/dbraw/zinc/03/60/41/969036041.db2.gz XNMWXTXAKAHNHQ-MVZIDQBPSA-N 1 2 227.323 2.736 20 0 BFADLO CC/C=C\CCC[N@H+]1CCC[C@H](F)C(=O)C1 ZINC001208135107 969036048 /nfs/dbraw/zinc/03/60/48/969036048.db2.gz XNMWXTXAKAHNHQ-MVZIDQBPSA-N 1 2 227.323 2.736 20 0 BFADLO O=C1CCC[N@@H+](CCC2CCCC2)C[C@@H]1F ZINC001208690606 969197009 /nfs/dbraw/zinc/19/70/09/969197009.db2.gz ODPUOBCZKSNNFB-LBPRGKRZSA-N 1 2 227.323 2.570 20 0 BFADLO O=C1CCC[N@H+](CCC2CCCC2)C[C@@H]1F ZINC001208690606 969197011 /nfs/dbraw/zinc/19/70/11/969197011.db2.gz ODPUOBCZKSNNFB-LBPRGKRZSA-N 1 2 227.323 2.570 20 0 BFADLO CCOC(=O)CCCCCC[NH+]1CC(C)(F)C1 ZINC001209346527 969446945 /nfs/dbraw/zinc/44/69/45/969446945.db2.gz VFPXBVIQNXFWDX-UHFFFAOYSA-N 1 2 245.338 2.544 20 0 BFADLO CCSC[C@H](C)[N@@H+]1CCCC(F)(F)C1 ZINC001173298601 975189457 /nfs/dbraw/zinc/18/94/57/975189457.db2.gz AAQDNROZHJBSHX-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CCSC[C@H](C)[N@H+]1CCCC(F)(F)C1 ZINC001173298601 975189467 /nfs/dbraw/zinc/18/94/67/975189467.db2.gz AAQDNROZHJBSHX-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCCC[C@@H](C)C2)c1C ZINC001333706362 976012365 /nfs/dbraw/zinc/01/23/65/976012365.db2.gz ZMQIYHQIBVELTP-SNVBAGLBSA-N 1 2 221.348 2.649 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCCC[C@@H](C)C2)c1C ZINC001333706362 976012380 /nfs/dbraw/zinc/01/23/80/976012380.db2.gz ZMQIYHQIBVELTP-SNVBAGLBSA-N 1 2 221.348 2.649 20 0 BFADLO Cc1cc(C[NH+]2CCC(CC(C)C)CC2)n[nH]1 ZINC001337065115 978150801 /nfs/dbraw/zinc/15/08/01/978150801.db2.gz MHFIMJYNWQJQRX-UHFFFAOYSA-N 1 2 235.375 2.976 20 0 BFADLO CC[NH+](CC)Cc1c(Cl)ccnc1F ZINC001232615313 978195343 /nfs/dbraw/zinc/19/53/43/978195343.db2.gz QYLIOSCEBPIWEN-UHFFFAOYSA-N 1 2 216.687 2.716 20 0 BFADLO CC1(C)CC[N@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232935438 978340953 /nfs/dbraw/zinc/34/09/53/978340953.db2.gz KFEHYPAODBDBTN-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CC[N@@H+](Cc2ccc(F)c(O)c2F)C1 ZINC001232935438 978340961 /nfs/dbraw/zinc/34/09/61/978340961.db2.gz KFEHYPAODBDBTN-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CCc1cc2cc(-c3ccc[nH+]c3N)cnc2[nH]1 ZINC001243474042 970764496 /nfs/dbraw/zinc/76/44/96/970764496.db2.gz IGFDYRDVOZNBMB-UHFFFAOYSA-N 1 2 238.294 2.770 20 0 BFADLO Oc1cccc(C[NH+]2CC3(CCC3)C2)c1F ZINC001233050555 978443284 /nfs/dbraw/zinc/44/32/84/978443284.db2.gz PPUOVXJHMIGMCA-UHFFFAOYSA-N 1 2 221.275 2.517 20 0 BFADLO C[C@@]1(F)CC[N@H+](Cc2ccoc2)C[C@@H]1F ZINC001204241288 978687745 /nfs/dbraw/zinc/68/77/45/978687745.db2.gz FKDWMNOGRUENKK-WDEREUQCSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@]1(F)CC[N@@H+](Cc2ccoc2)C[C@@H]1F ZINC001204241288 978687752 /nfs/dbraw/zinc/68/77/52/978687752.db2.gz FKDWMNOGRUENKK-WDEREUQCSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ncc(Cl)cn1 ZINC001235399675 979036221 /nfs/dbraw/zinc/03/62/21/979036221.db2.gz AZZZEFSYEGCQOW-NXEZZACHSA-N 1 2 239.750 2.893 20 0 BFADLO Cc1ccc(Cl)c(C[N@H+](C)CCO)c1Cl ZINC001236255406 979474751 /nfs/dbraw/zinc/47/47/51/979474751.db2.gz DJXHAXKBXIHLLZ-UHFFFAOYSA-N 1 2 248.153 2.726 20 0 BFADLO Cc1ccc(Cl)c(C[N@@H+](C)CCO)c1Cl ZINC001236255406 979474757 /nfs/dbraw/zinc/47/47/57/979474757.db2.gz DJXHAXKBXIHLLZ-UHFFFAOYSA-N 1 2 248.153 2.726 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@H]2C)c(F)cc1F ZINC001236818211 979746310 /nfs/dbraw/zinc/74/63/10/979746310.db2.gz RFDARLZCFSSGBJ-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(C[N@H+]2CC[C@H]2C)c(F)cc1F ZINC001236818211 979746317 /nfs/dbraw/zinc/74/63/17/979746317.db2.gz RFDARLZCFSSGBJ-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO Fc1ccc(F)c(CCn2cc[nH+]c2)c1F ZINC001250316668 980757067 /nfs/dbraw/zinc/75/70/67/980757067.db2.gz RRZZSGODVUAZOL-UHFFFAOYSA-N 1 2 226.201 2.543 20 0 BFADLO CCCCc1[nH+]c2ccc(OC)cc2n1C ZINC001250426468 981062420 /nfs/dbraw/zinc/06/24/20/981062420.db2.gz XZEAWJGXUUQJTR-UHFFFAOYSA-N 1 2 218.300 2.925 20 0 BFADLO CCCCCCC(=O)OCc1c[nH+]cn1CC ZINC001347973787 981230671 /nfs/dbraw/zinc/23/06/71/981230671.db2.gz XAEMQEGJTHBBTB-UHFFFAOYSA-N 1 2 238.331 2.917 20 0 BFADLO Cc1cc(NC2=CCSCC2)nc(C)[nH+]1 ZINC001201327763 983188668 /nfs/dbraw/zinc/18/86/68/983188668.db2.gz VZJLSZZFTPJADO-UHFFFAOYSA-N 1 2 221.329 2.526 20 0 BFADLO Oc1c[nH]c(Cl)cc1=[NH+]C1=CCSCC1 ZINC001201333150 983189909 /nfs/dbraw/zinc/18/99/09/983189909.db2.gz PQRZQVHGFPNTLY-UHFFFAOYSA-N 1 2 242.731 2.873 20 0 BFADLO COc1ccc(-c2[nH]cc[nH+]2)c(C)c1C ZINC001242015509 983216050 /nfs/dbraw/zinc/21/60/50/983216050.db2.gz IGVLHILQJLFYJW-UHFFFAOYSA-N 1 2 202.257 2.702 20 0 BFADLO CC=C(C)c1cc2[nH]c[nH+]c2cc1OC ZINC001242759019 984121603 /nfs/dbraw/zinc/12/16/03/984121603.db2.gz LXYOCWGCYXHFQR-XBXARRHUSA-N 1 2 202.257 2.995 20 0 BFADLO CC[N@H+](Cc1c(F)cc(O)cc1F)C(C)C ZINC001144541516 972862709 /nfs/dbraw/zinc/86/27/09/972862709.db2.gz HVWVMVCAPBDRNU-UHFFFAOYSA-N 1 2 229.270 2.901 20 0 BFADLO CC[N@@H+](Cc1c(F)cc(O)cc1F)C(C)C ZINC001144541516 972862710 /nfs/dbraw/zinc/86/27/10/972862710.db2.gz HVWVMVCAPBDRNU-UHFFFAOYSA-N 1 2 229.270 2.901 20 0 BFADLO Cc1cc(COC[C@@H]2CC[C@H](C)O2)cc(C)[nH+]1 ZINC001223419609 973051117 /nfs/dbraw/zinc/05/11/17/973051117.db2.gz GEIWFCFJJMLLIG-JSGCOSHPSA-N 1 2 235.327 2.783 20 0 BFADLO CC(C)CC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001256366834 970772771 /nfs/dbraw/zinc/77/27/71/970772771.db2.gz RYKFFAFLQBOSAO-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001256366834 970772766 /nfs/dbraw/zinc/77/27/66/970772766.db2.gz RYKFFAFLQBOSAO-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO COc1cc(Nc2[nH+]cccc2C)ccc1CO ZINC001216109529 970942487 /nfs/dbraw/zinc/94/24/87/970942487.db2.gz YIMGTGGEMLXENM-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc[nH+]c(Nc2cncc(F)c2C)c1 ZINC001216190945 970971872 /nfs/dbraw/zinc/97/18/72/970971872.db2.gz VLYMCZXDMBCEGV-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1ncc(Nc2[nH+]c(C)ccc2C)cc1O ZINC001216206546 970986369 /nfs/dbraw/zinc/98/63/69/970986369.db2.gz MUMKROWVBNCCOV-UHFFFAOYSA-N 1 2 245.282 2.551 20 0 BFADLO COc1ncc(Nc2[nH+]cc(C)cc2C)cc1O ZINC001216206965 970987153 /nfs/dbraw/zinc/98/71/53/970987153.db2.gz VTDIVHKBDBOSMZ-UHFFFAOYSA-N 1 2 245.282 2.551 20 0 BFADLO COc1ccc(Nc2[nH+]cccc2C)cc1N ZINC001216254143 971002151 /nfs/dbraw/zinc/00/21/51/971002151.db2.gz APJCBIMUDJRCFA-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Fc1cc(F)c(C2=C[NH2+]CCC2)c(F)c1 ZINC001243952674 971047948 /nfs/dbraw/zinc/04/79/48/971047948.db2.gz NEYKXGUGAFPQKF-UHFFFAOYSA-N 1 2 213.202 2.828 20 0 BFADLO Cc1cnc(C)c(Nc2[nH+]cc(C)cc2N)c1 ZINC000404555040 971170963 /nfs/dbraw/zinc/17/09/63/971170963.db2.gz YYJHNGJDMPHXMB-UHFFFAOYSA-N 1 2 228.299 2.728 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1ccc(Cl)cc1O ZINC001244468817 971283366 /nfs/dbraw/zinc/28/33/66/971283366.db2.gz XQTUTPXWWCDASX-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO Cc1ccc(O)cc1-c1c[nH+]c(N)c(C)c1 ZINC001244449563 971284574 /nfs/dbraw/zinc/28/45/74/971284574.db2.gz IIRWKBLUYOQLSI-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO C[C@@H]1[C@@H](Nc2ccc([NH+](C)C)cc2)CO[C@H]1C ZINC000405702776 971295436 /nfs/dbraw/zinc/29/54/36/971295436.db2.gz PNXXOELALYYJFR-MJVIPROJSA-N 1 2 234.343 2.588 20 0 BFADLO COc1ccc(NC(C)(C)CC(C)=O)[nH+]c1C ZINC001171502743 974085478 /nfs/dbraw/zinc/08/54/78/974085478.db2.gz RYHWWQCQBVECMP-UHFFFAOYSA-N 1 2 236.315 2.568 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[NH2+]CC(=O)OCC ZINC001257469578 971392962 /nfs/dbraw/zinc/39/29/62/971392962.db2.gz XCPJIUVBJDVAOL-RYUDHWBXSA-N 1 2 229.364 2.744 20 0 BFADLO CCC[C@H](C)CC[C@@H](C)[NH2+]CC(=O)OCC ZINC001257469577 971393810 /nfs/dbraw/zinc/39/38/10/971393810.db2.gz XCPJIUVBJDVAOL-NWDGAFQWSA-N 1 2 229.364 2.744 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001257513401 971433640 /nfs/dbraw/zinc/43/36/40/971433640.db2.gz SQYJJRDGVOPQPW-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@H](C)[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001257513401 971433643 /nfs/dbraw/zinc/43/36/43/971433643.db2.gz SQYJJRDGVOPQPW-NWDGAFQWSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](C)[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001257512228 971431812 /nfs/dbraw/zinc/43/18/12/971431812.db2.gz LPEXORKDABBDQR-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO CCCCC[C@@H](C)[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001257512228 971431818 /nfs/dbraw/zinc/43/18/18/971431818.db2.gz LPEXORKDABBDQR-VXGBXAGGSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@@H]1CC[N@@H+]([C@H]2CCCSC2)CC1(F)F ZINC001257670852 971475268 /nfs/dbraw/zinc/47/52/68/971475268.db2.gz JZECLVQMCKGLMH-ZJUUUORDSA-N 1 2 235.343 2.859 20 0 BFADLO C[C@@H]1CC[N@H+]([C@H]2CCCSC2)CC1(F)F ZINC001257670852 971475270 /nfs/dbraw/zinc/47/52/70/971475270.db2.gz JZECLVQMCKGLMH-ZJUUUORDSA-N 1 2 235.343 2.859 20 0 BFADLO CCc1ccccc1O[C@H]1CC[NH2+]CC1(F)F ZINC001218007816 971570678 /nfs/dbraw/zinc/57/06/78/971570678.db2.gz VGLSCODGMAQMLT-LBPRGKRZSA-N 1 2 241.281 2.625 20 0 BFADLO FC1(F)C[NH2+]CC[C@H]1Oc1cccc(Cl)c1 ZINC001218004902 971571011 /nfs/dbraw/zinc/57/10/11/971571011.db2.gz GNDHAIRGDFGDDV-SNVBAGLBSA-N 1 2 247.672 2.716 20 0 BFADLO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccccc1S ZINC001218028627 971576761 /nfs/dbraw/zinc/57/67/61/971576761.db2.gz VOAVEOMVGWOJRD-QWRGUYRKSA-N 1 2 237.368 2.742 20 0 BFADLO CN(CC(F)F)c1[nH+]ccc2ccccc21 ZINC001158925322 971576798 /nfs/dbraw/zinc/57/67/98/971576798.db2.gz GPRZMYCWZDJNHZ-UHFFFAOYSA-N 1 2 222.238 2.936 20 0 BFADLO CN(CC(F)F)c1cc2ccccc2c[nH+]1 ZINC001158925246 971577222 /nfs/dbraw/zinc/57/72/22/971577222.db2.gz BANSHSUYESVCRM-UHFFFAOYSA-N 1 2 222.238 2.936 20 0 BFADLO Cc1cccc(C)c1O[C@H]1C[NH2+]CC(F)(F)C1 ZINC001218273519 971668419 /nfs/dbraw/zinc/66/84/19/971668419.db2.gz SAWVCYYJSRBGBG-LLVKDONJSA-N 1 2 241.281 2.679 20 0 BFADLO CCc1ccccc1O[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001218272634 971670461 /nfs/dbraw/zinc/67/04/61/971670461.db2.gz DRWNKNWSGMFFPC-NSHDSACASA-N 1 2 241.281 2.625 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC001218290294 971684734 /nfs/dbraw/zinc/68/47/34/971684734.db2.gz ACJZESHSWXEQHS-CKYFFXLPSA-N 1 2 220.316 2.867 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@H](Oc2ccc[nH+]c2N)C1 ZINC001218292269 971688804 /nfs/dbraw/zinc/68/88/04/971688804.db2.gz USZJICZYMHDDPG-CKYFFXLPSA-N 1 2 220.316 2.867 20 0 BFADLO C[C@@H]1CC[C@@H](C)[C@@H](Oc2ccc[nH+]c2N)C1 ZINC001218292272 971689893 /nfs/dbraw/zinc/68/98/93/971689893.db2.gz USZJICZYMHDDPG-FOGDFJRCSA-N 1 2 220.316 2.867 20 0 BFADLO Nc1[nH+]cccc1O[C@@H]1CCC=CCCC1 ZINC001218302568 971700983 /nfs/dbraw/zinc/70/09/83/971700983.db2.gz FNRBFBZCCSSMBW-LLVKDONJSA-N 1 2 218.300 2.932 20 0 BFADLO c1cc(C2=CCCOC2)cc(N2CCCCC2)[nH+]1 ZINC001245159640 971711017 /nfs/dbraw/zinc/71/10/17/971711017.db2.gz XXWGDPIICRYCPB-UHFFFAOYSA-N 1 2 244.338 2.876 20 0 BFADLO CCc1cc(OC2C[NH+](CC)C2)ccc1Cl ZINC001225318156 974395983 /nfs/dbraw/zinc/39/59/83/974395983.db2.gz IAAJNYSZSKSBCA-UHFFFAOYSA-N 1 2 239.746 2.985 20 0 BFADLO C[C@@H](Oc1cc(N)cc[nH+]1)C1CCCC1 ZINC001218359194 971731725 /nfs/dbraw/zinc/73/17/25/971731725.db2.gz POMBIPYFZADSBW-SECBINFHSA-N 1 2 206.289 2.621 20 0 BFADLO Cc1cc(-c2ccnc(C(C)C)n2)c[nH+]c1N ZINC001245536662 971850873 /nfs/dbraw/zinc/85/08/73/971850873.db2.gz XICWUEMBYQFCFK-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO CC[NH+]1CC(Oc2cccc(C(F)F)c2)C1 ZINC001225538762 974546233 /nfs/dbraw/zinc/54/62/33/974546233.db2.gz ULBNPTMJVMTXIK-UHFFFAOYSA-N 1 2 227.254 2.707 20 0 BFADLO Cc1ccc(Cl)cc1NC(=O)Cc1[nH]cc[nH+]1 ZINC001135313010 971867734 /nfs/dbraw/zinc/86/77/34/971867734.db2.gz VOXLFVCRFAASBB-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCOC[C@@H]2C)c1C ZINC001170821583 971908923 /nfs/dbraw/zinc/90/89/23/971908923.db2.gz YGYKFQCCFVKLNH-JQWIXIFHSA-N 1 2 220.316 2.535 20 0 BFADLO Cc1cc(N[C@H]2CCOC[C@H]2C)[nH+]c2cc[nH]c21 ZINC001170833104 971946457 /nfs/dbraw/zinc/94/64/57/971946457.db2.gz VFDMXRRXTYBOTA-MNOVXSKESA-N 1 2 245.326 2.708 20 0 BFADLO CCC=CNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC001159668339 972011239 /nfs/dbraw/zinc/01/12/39/972011239.db2.gz PHJGCJDEVRUNNX-AATRIKPKSA-N 1 2 216.288 2.910 20 0 BFADLO Cc1cc(C)c(Nc2cccnc2F)c[nH+]1 ZINC001213505481 957004701 /nfs/dbraw/zinc/00/47/01/957004701.db2.gz HGHDFZMTSBFOMW-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cnc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001211501951 957077485 /nfs/dbraw/zinc/07/74/85/957077485.db2.gz UOUKXYPSYDODSV-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CCC[N@@H+](CCOC)Cc1csc(Cl)n1 ZINC001139977792 957239151 /nfs/dbraw/zinc/23/91/51/957239151.db2.gz ZMMTYHAOEIYOTE-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO CCC[N@H+](CCOC)Cc1csc(Cl)n1 ZINC001139977792 957239140 /nfs/dbraw/zinc/23/91/40/957239140.db2.gz ZMMTYHAOEIYOTE-UHFFFAOYSA-N 1 2 248.779 2.655 20 0 BFADLO c1nc(Nc2ccc3[nH]c[nH+]c3c2)cs1 ZINC001209844418 957541053 /nfs/dbraw/zinc/54/10/53/957541053.db2.gz MNGHZAQINKAOCR-UHFFFAOYSA-N 1 2 216.269 2.763 20 0 BFADLO CC(C)c1ccc(N2CC[C@@H]3OCC[C@H]3C2)[nH+]c1 ZINC001167218075 957551995 /nfs/dbraw/zinc/55/19/95/957551995.db2.gz WQWZXTUBSLPWFA-KBPBESRZSA-N 1 2 246.354 2.820 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@H]3OCC[C@H]3C2)c1 ZINC001167217087 957552115 /nfs/dbraw/zinc/55/21/15/957552115.db2.gz JOLPKVRAZBMYSN-GXTWGEPZSA-N 1 2 244.338 2.574 20 0 BFADLO FC[C@H]1[C@@H]2CN(c3cccc(C4CC4)[nH+]3)C[C@H]12 ZINC001167225337 957557412 /nfs/dbraw/zinc/55/74/12/957557412.db2.gz PIZPSJZFDAHCSV-CNDDSTCGSA-N 1 2 232.302 2.611 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cccc(F)n2)cn1 ZINC001140135383 957611639 /nfs/dbraw/zinc/61/16/39/957611639.db2.gz DXQURIGYWAUNID-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cccc(F)n2)cn1 ZINC001140135383 957611645 /nfs/dbraw/zinc/61/16/45/957611645.db2.gz DXQURIGYWAUNID-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCC[C@@H](OCC[NH+]1CCOCC1)C(C)(C)C ZINC001210208386 957673250 /nfs/dbraw/zinc/67/32/50/957673250.db2.gz RVOGQIDUOKALBH-CYBMUJFWSA-N 1 2 243.391 2.550 20 0 BFADLO Cc1cc(Nc2[nH+]cc(C)cc2N)c(C)o1 ZINC001210279708 957710464 /nfs/dbraw/zinc/71/04/64/957710464.db2.gz YGLMCGLLUHSUTD-UHFFFAOYSA-N 1 2 217.272 2.926 20 0 BFADLO CC[N@H+](Cc1cnc[nH]1)Cc1ccc(F)cc1 ZINC001136871684 972288189 /nfs/dbraw/zinc/28/81/89/972288189.db2.gz CRIYZFYAPQMCRR-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1cnc[nH]1)Cc1ccc(F)cc1 ZINC001136871684 972288193 /nfs/dbraw/zinc/28/81/93/972288193.db2.gz CRIYZFYAPQMCRR-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@H+](Cc1c[nH]cn1)Cc1ccc(F)cc1 ZINC001136871684 972288198 /nfs/dbraw/zinc/28/81/98/972288198.db2.gz CRIYZFYAPQMCRR-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1c[nH]cn1)Cc1ccc(F)cc1 ZINC001136871684 972288202 /nfs/dbraw/zinc/28/82/02/972288202.db2.gz CRIYZFYAPQMCRR-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CCCC[C@H](CC)CN1CC[NH2+]CC(F)(F)C1 ZINC001210814758 957912671 /nfs/dbraw/zinc/91/26/71/957912671.db2.gz IKFNRSHVOVHVBV-LBPRGKRZSA-N 1 2 248.361 2.743 20 0 BFADLO Nc1ccc[nH+]c1Nc1cccc(OC2CC2)c1 ZINC001210859548 957919082 /nfs/dbraw/zinc/91/90/82/957919082.db2.gz XFMRGZHZZZQAET-UHFFFAOYSA-N 1 2 241.294 2.949 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)CCO1 ZINC001136979032 972310202 /nfs/dbraw/zinc/31/02/02/972310202.db2.gz DGFOQLSAVUPNQR-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)CCO1 ZINC001136979032 972310207 /nfs/dbraw/zinc/31/02/07/972310207.db2.gz DGFOQLSAVUPNQR-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cncc(CO)c1 ZINC001211101223 958029525 /nfs/dbraw/zinc/02/95/25/958029525.db2.gz VKUMYKICNFDCKE-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO Cc1c[nH+]cc(Nc2ccc(F)nc2)c1C ZINC001213522940 958196918 /nfs/dbraw/zinc/19/69/18/958196918.db2.gz JXVFAUYGUJRYPR-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cc1cc(C[N@@H+]2CCOCC23CC3)cc(C)c1F ZINC001143385245 958199096 /nfs/dbraw/zinc/19/90/96/958199096.db2.gz QIFMVZPBKFJAPD-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO Cc1cc(C[N@H+]2CCOCC23CC3)cc(C)c1F ZINC001143385245 958199103 /nfs/dbraw/zinc/19/91/03/958199103.db2.gz QIFMVZPBKFJAPD-UHFFFAOYSA-N 1 2 249.329 2.807 20 0 BFADLO Cc1cncc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001207155686 958238275 /nfs/dbraw/zinc/23/82/75/958238275.db2.gz YFLRFQKPJRHMRH-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)c1 ZINC001207155686 958238279 /nfs/dbraw/zinc/23/82/79/958238279.db2.gz YFLRFQKPJRHMRH-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO CCCNc1cc(N2CCC[C@@H]2C2CC2)nc[nH+]1 ZINC000706841406 958248287 /nfs/dbraw/zinc/24/82/87/958248287.db2.gz SHSUHXATTYRBLY-GFCCVEGCSA-N 1 2 246.358 2.677 20 0 BFADLO CCCNc1cc(N2CCC[C@@H]2C2CC2)[nH+]cn1 ZINC000706841406 958248299 /nfs/dbraw/zinc/24/82/99/958248299.db2.gz SHSUHXATTYRBLY-GFCCVEGCSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1cc(C)c(C[NH2+]Cc2csnn2)c(C)c1 ZINC000398494802 958286477 /nfs/dbraw/zinc/28/64/77/958286477.db2.gz XIJGZPQCRVGFNL-UHFFFAOYSA-N 1 2 247.367 2.753 20 0 BFADLO COc1ccc(F)c(F)c1C[N@H+](C)C1CC1 ZINC001143403671 958503536 /nfs/dbraw/zinc/50/35/36/958503536.db2.gz FGFZTNZJRAGLJC-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(F)c(F)c1C[N@@H+](C)C1CC1 ZINC001143403671 958503550 /nfs/dbraw/zinc/50/35/50/958503550.db2.gz FGFZTNZJRAGLJC-UHFFFAOYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001140477433 958578747 /nfs/dbraw/zinc/57/87/47/958578747.db2.gz DUBCWEJJEVUYGX-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(F)cc(C[N@H+]2C[C@H](F)C[C@H]2C)c1 ZINC001140477433 958578757 /nfs/dbraw/zinc/57/87/57/958578757.db2.gz DUBCWEJJEVUYGX-BXKDBHETSA-N 1 2 241.281 2.767 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H](CO)C2)[nH+]c2ccccc12 ZINC000707667285 958659472 /nfs/dbraw/zinc/65/94/72/958659472.db2.gz HOVHXNTTZCNQIB-TXEJJXNPSA-N 1 2 242.322 2.726 20 0 BFADLO COC/C(C)=C/C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000844311513 972379717 /nfs/dbraw/zinc/37/97/17/972379717.db2.gz YLBYGERUDURSQW-RMKNXTFCSA-N 1 2 248.326 2.538 20 0 BFADLO CC[C@@H](OCCn1cc[nH+]c1)C(C)(C)C ZINC001222134184 972380647 /nfs/dbraw/zinc/38/06/47/972380647.db2.gz BJEWCWMRIUVZIT-LLVKDONJSA-N 1 2 210.321 2.724 20 0 BFADLO CCCCC[C@H](C)OCCn1cc[nH+]c1 ZINC001222134668 972381593 /nfs/dbraw/zinc/38/15/93/972381593.db2.gz JQBQPKPJOFKGBN-LBPRGKRZSA-N 1 2 210.321 2.869 20 0 BFADLO C[C@H](CCc1ccccc1)OCCn1cc[nH+]c1 ZINC001222135163 972382019 /nfs/dbraw/zinc/38/20/19/972382019.db2.gz WWCGFNMEVJNEQO-CQSZACIVSA-N 1 2 244.338 2.921 20 0 BFADLO CC[C@H](OCCn1cc[nH+]c1)C(C)(C)C ZINC001222134185 972382845 /nfs/dbraw/zinc/38/28/45/972382845.db2.gz BJEWCWMRIUVZIT-NSHDSACASA-N 1 2 210.321 2.724 20 0 BFADLO COc1cccc([C@H](C)OCCn2cc[nH+]c2)c1 ZINC001222135147 972382879 /nfs/dbraw/zinc/38/28/79/972382879.db2.gz WMIJILHHIGRREW-LBPRGKRZSA-N 1 2 246.310 2.670 20 0 BFADLO COc1ccc([C@@H](C)OCCn2cc[nH+]c2)cc1 ZINC001222135186 972383655 /nfs/dbraw/zinc/38/36/55/972383655.db2.gz XLIYXVVISGJXCM-GFCCVEGCSA-N 1 2 246.310 2.670 20 0 BFADLO Cc1cnc(F)c([C@H](C)OCCn2cc[nH+]c2)c1 ZINC001222138493 972389002 /nfs/dbraw/zinc/38/90/02/972389002.db2.gz FPHLDLIPONUVTM-NSHDSACASA-N 1 2 249.289 2.503 20 0 BFADLO CCc1[nH+]ccc(C)c1NC1=CCCOC1 ZINC001216506259 959002791 /nfs/dbraw/zinc/00/27/91/959002791.db2.gz JESGZRQHLAMIDG-UHFFFAOYSA-N 1 2 218.300 2.669 20 0 BFADLO Nc1cc(CNc2ccc3c(c2)CCC3)cc[nH+]1 ZINC001167617614 959085259 /nfs/dbraw/zinc/08/52/59/959085259.db2.gz ROVDGLRDSUBXDQ-UHFFFAOYSA-N 1 2 239.322 2.765 20 0 BFADLO CCOc1ccc(F)c(C[NH+]2CC(C)C2)c1F ZINC001143931597 972421957 /nfs/dbraw/zinc/42/19/57/972421957.db2.gz ZWZDJXCZDROXRT-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCOc1ccc(F)c(C[N@H+](C)C2CC2)c1F ZINC001143931170 972423398 /nfs/dbraw/zinc/42/33/98/972423398.db2.gz PDQZIYWJCSGDCH-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(F)c(C[N@@H+](C)C2CC2)c1F ZINC001143931170 972423402 /nfs/dbraw/zinc/42/34/02/972423402.db2.gz PDQZIYWJCSGDCH-UHFFFAOYSA-N 1 2 241.281 2.958 20 0 BFADLO C[C@H]1CCC[C@H](C)C1Oc1ccc[nH+]c1N ZINC001218352658 959988916 /nfs/dbraw/zinc/98/89/16/959988916.db2.gz JMUXOSAZWIMSCH-UWVGGRQHSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218408327 960066227 /nfs/dbraw/zinc/06/62/27/960066227.db2.gz UTUXOQGEZYUHBY-WDEREUQCSA-N 1 2 237.368 2.803 20 0 BFADLO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cnco1 ZINC001140932621 960099635 /nfs/dbraw/zinc/09/96/35/960099635.db2.gz VVAYRFWHCXDXTK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnco1 ZINC001140932621 960099645 /nfs/dbraw/zinc/09/96/45/960099645.db2.gz VVAYRFWHCXDXTK-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO Fc1cc2c(cc1F)C[N@H+](Cc1cc[nH]c1)CC2 ZINC001140709833 960531305 /nfs/dbraw/zinc/53/13/05/960531305.db2.gz DYOGBAGNQVWWMJ-UHFFFAOYSA-N 1 2 248.276 2.851 20 0 BFADLO Fc1cc2c(cc1F)C[N@@H+](Cc1cc[nH]c1)CC2 ZINC001140709833 960531321 /nfs/dbraw/zinc/53/13/21/960531321.db2.gz DYOGBAGNQVWWMJ-UHFFFAOYSA-N 1 2 248.276 2.851 20 0 BFADLO CC[NH2+]Cc1noc([C@@H]2CCCC3(CC3)C2)n1 ZINC000695960142 960642886 /nfs/dbraw/zinc/64/28/86/960642886.db2.gz ZXEDKYIHJGZMJW-SNVBAGLBSA-N 1 2 235.331 2.617 20 0 BFADLO CC1C[NH+](Cc2cnccc2C(F)(F)F)C1 ZINC001140915874 960689067 /nfs/dbraw/zinc/68/90/67/960689067.db2.gz TZTIBMYOSJBLQE-UHFFFAOYSA-N 1 2 230.233 2.552 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@@H](OCc2c[nH+]cn2C)C1 ZINC001222594291 960721832 /nfs/dbraw/zinc/72/18/32/960721832.db2.gz DJMQLQBOEXIZRZ-MDZLAQPJSA-N 1 2 222.332 2.761 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2cccc(F)c2)n[nH]1 ZINC001203081279 960736664 /nfs/dbraw/zinc/73/66/64/960736664.db2.gz MRMKEFXVTVICOE-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2cccc(F)c2)n[nH]1 ZINC001203081279 960736679 /nfs/dbraw/zinc/73/66/79/960736679.db2.gz MRMKEFXVTVICOE-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(N(C)[C@H](C)CCO)[nH+]c2ccccc12 ZINC001327282474 972530633 /nfs/dbraw/zinc/53/06/33/972530633.db2.gz JVWNIEXMGQXJSM-GFCCVEGCSA-N 1 2 244.338 2.750 20 0 BFADLO Oc1c(F)cc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1F ZINC001140991939 960779101 /nfs/dbraw/zinc/77/91/01/960779101.db2.gz GSRZCSZLFIYQNO-SKDRFNHKSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1c(F)cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1F ZINC001140991939 960779109 /nfs/dbraw/zinc/77/91/09/960779109.db2.gz GSRZCSZLFIYQNO-SKDRFNHKSA-N 1 2 239.265 2.655 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ncco2)cc1C ZINC001141010561 960812372 /nfs/dbraw/zinc/81/23/72/960812372.db2.gz XPODTMWTAPBUEW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ncco2)cc1C ZINC001141010561 960812373 /nfs/dbraw/zinc/81/23/73/960812373.db2.gz XPODTMWTAPBUEW-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CC[N@H+](Cc1ncco1)Cc1ccc(OC)cc1 ZINC001141011205 960813528 /nfs/dbraw/zinc/81/35/28/960813528.db2.gz VDTHLNURNUQRNI-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1ncco1)Cc1ccc(OC)cc1 ZINC001141011205 960813529 /nfs/dbraw/zinc/81/35/29/960813529.db2.gz VDTHLNURNUQRNI-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO c1coc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001141011323 960816344 /nfs/dbraw/zinc/81/63/44/960816344.db2.gz XXMYHRBAYJRRJP-GFCCVEGCSA-N 1 2 214.268 2.622 20 0 BFADLO c1coc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC001141011323 960816347 /nfs/dbraw/zinc/81/63/47/960816347.db2.gz XXMYHRBAYJRRJP-GFCCVEGCSA-N 1 2 214.268 2.622 20 0 BFADLO CCCCc1[nH]c(CN2CCC(F)(F)C2)c[nH+]1 ZINC001141066310 960850950 /nfs/dbraw/zinc/85/09/50/960850950.db2.gz BUNPPXSILYRPSX-UHFFFAOYSA-N 1 2 243.301 2.593 20 0 BFADLO CCCCc1[nH]cc(CN2CCC(F)(F)C2)[nH+]1 ZINC001141066310 960850951 /nfs/dbraw/zinc/85/09/51/960850951.db2.gz BUNPPXSILYRPSX-UHFFFAOYSA-N 1 2 243.301 2.593 20 0 BFADLO CCCCc1[nH]c(CN(C)CC(F)(F)F)c[nH+]1 ZINC001141066256 960853063 /nfs/dbraw/zinc/85/30/63/960853063.db2.gz ANWRVAGZWWROCF-UHFFFAOYSA-N 1 2 249.280 2.746 20 0 BFADLO CCCCc1[nH]cc(CN(C)CC(F)(F)F)[nH+]1 ZINC001141066256 960853066 /nfs/dbraw/zinc/85/30/66/960853066.db2.gz ANWRVAGZWWROCF-UHFFFAOYSA-N 1 2 249.280 2.746 20 0 BFADLO CCCCc1ncc(C[N@H+](C)CCSC)[nH]1 ZINC001141073956 960863984 /nfs/dbraw/zinc/86/39/84/960863984.db2.gz QORKOTVSZNPORH-UHFFFAOYSA-N 1 2 241.404 2.547 20 0 BFADLO CCCCc1ncc(C[N@@H+](C)CCSC)[nH]1 ZINC001141073956 960863990 /nfs/dbraw/zinc/86/39/90/960863990.db2.gz QORKOTVSZNPORH-UHFFFAOYSA-N 1 2 241.404 2.547 20 0 BFADLO CC(C)(C)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141106325 960868461 /nfs/dbraw/zinc/86/84/61/960868461.db2.gz XPFVRKHFDKAEQU-LSDHHAIUSA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC001141106325 960868464 /nfs/dbraw/zinc/86/84/64/960868464.db2.gz XPFVRKHFDKAEQU-LSDHHAIUSA-N 1 2 245.366 2.957 20 0 BFADLO COc1c(F)cccc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001143522283 960900859 /nfs/dbraw/zinc/90/08/59/960900859.db2.gz SKTLNVFLQZGUTR-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO COc1c(F)cccc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001143522283 960900868 /nfs/dbraw/zinc/90/08/68/960900868.db2.gz SKTLNVFLQZGUTR-SKDRFNHKSA-N 1 2 241.281 2.624 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1ncccn1 ZINC001141224185 960964432 /nfs/dbraw/zinc/96/44/32/960964432.db2.gz IISXVTTWOLLGJL-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1ncccn1 ZINC001141224185 960964468 /nfs/dbraw/zinc/96/44/68/960964468.db2.gz IISXVTTWOLLGJL-UHFFFAOYSA-N 1 2 241.338 2.671 20 0 BFADLO [NH2+]=CNc1cc(Cl)cnc1C(F)(F)F ZINC001167868226 961361524 /nfs/dbraw/zinc/36/15/24/961361524.db2.gz HXHABIDYBXNIJY-UHFFFAOYSA-N 1 2 223.585 2.773 20 0 BFADLO CCCOCCNc1c[nH+]c(C)c(C)c1 ZINC001167873275 961391945 /nfs/dbraw/zinc/39/19/45/961391945.db2.gz KGSKJKFDKXWPCI-UHFFFAOYSA-N 1 2 208.305 2.537 20 0 BFADLO CCCOCCNc1ccc([NH+](C)C)c(C)c1 ZINC001167874854 961409927 /nfs/dbraw/zinc/40/99/27/961409927.db2.gz IJBREAYCTSIUQP-UHFFFAOYSA-N 1 2 236.359 2.900 20 0 BFADLO CCN(CC)c1ccc(N[C@@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000401947054 961679701 /nfs/dbraw/zinc/67/97/01/961679701.db2.gz JREPYYATUQTSKE-AAEUAGOBSA-N 1 2 249.358 2.517 20 0 BFADLO COC1CC(CNc2cc(C(C)C)[nH+]c(C)n2)C1 ZINC000709838597 961688766 /nfs/dbraw/zinc/68/87/66/961688766.db2.gz BBNXCASIHBSAPI-UHFFFAOYSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1ccc([C@H](C)Oc2cc[nH+]cc2)cn1 ZINC001225291808 962058416 /nfs/dbraw/zinc/05/84/16/962058416.db2.gz YRRBMJLAALZVKC-NSHDSACASA-N 1 2 214.268 2.925 20 0 BFADLO Clc1ccc(Nc2ccn3cc[nH+]c3c2)nn1 ZINC001204951164 962159582 /nfs/dbraw/zinc/15/95/82/962159582.db2.gz OECYNYDTLPPDQX-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1ccc(-n2cnc3ccc(N)cc32)c(C)[nH+]1 ZINC001203375397 962365105 /nfs/dbraw/zinc/36/51/05/962365105.db2.gz XWAUTVHUHLGRAT-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Nc1cc(N[C@@H](c2ccccc2)C2CC2)[nH+]cn1 ZINC001154645064 962824443 /nfs/dbraw/zinc/82/44/43/962824443.db2.gz KYKVBBYKQCEZRZ-AWEZNQCLSA-N 1 2 240.310 2.622 20 0 BFADLO C=Cc1ccc(NCCC2CCOCC2)[nH+]c1 ZINC001154850773 962872564 /nfs/dbraw/zinc/87/25/64/962872564.db2.gz QVZWXMXCEFKZGG-UHFFFAOYSA-N 1 2 232.327 2.953 20 0 BFADLO CSCc1cc[nH+]c(NCc2cnoc2C)c1 ZINC001154887431 962885292 /nfs/dbraw/zinc/88/52/92/962885292.db2.gz KFZCIPZPGQFITO-UHFFFAOYSA-N 1 2 249.339 2.853 20 0 BFADLO CCCN(CCC)c1nc(NC2CC2)c(C)c[nH+]1 ZINC001155169279 962995857 /nfs/dbraw/zinc/99/58/57/962995857.db2.gz KPQGHMSOEZLJSV-UHFFFAOYSA-N 1 2 248.374 2.986 20 0 BFADLO CCN(CC)c1cncc(NC(=[NH2+])C(C)(C)C)n1 ZINC001155180266 963008815 /nfs/dbraw/zinc/00/88/15/963008815.db2.gz OQODUYREBMJSIQ-UHFFFAOYSA-N 1 2 249.362 2.758 20 0 BFADLO CC(C)(O)C=CNc1ccc([NH+]2CCCC2)cc1 ZINC001203217067 963144389 /nfs/dbraw/zinc/14/43/89/963144389.db2.gz CSDOFRQGSVXNNX-MDZDMXLPSA-N 1 2 246.354 2.983 20 0 BFADLO COc1cc(C)c[nH+]c1N1C[C@H](C)CC12CC2 ZINC001156420403 963342835 /nfs/dbraw/zinc/34/28/35/963342835.db2.gz RXEJGSNDSHTVIK-LLVKDONJSA-N 1 2 232.327 2.777 20 0 BFADLO c1ccc2cc(NCc3cncnc3)[nH+]cc2c1 ZINC001156569838 963386137 /nfs/dbraw/zinc/38/61/37/963386137.db2.gz FERXZLXLRXJLCO-UHFFFAOYSA-N 1 2 236.278 2.637 20 0 BFADLO Cc1cc(Cl)cc(NCc2cc[nH+]c(N)c2)n1 ZINC001156756180 963455076 /nfs/dbraw/zinc/45/50/76/963455076.db2.gz QSIGQENLFYEKQT-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1c[nH+]c(NCc2ccc(N)nc2C)c(C)c1 ZINC001156981315 963506462 /nfs/dbraw/zinc/50/64/62/963506462.db2.gz ZIIFUFSNGHEEIG-UHFFFAOYSA-N 1 2 242.326 2.596 20 0 BFADLO CCCOCCNc1cc(CSC)cc[nH+]1 ZINC001157088441 963529700 /nfs/dbraw/zinc/52/97/00/963529700.db2.gz QCSVHGANDJWCOY-UHFFFAOYSA-N 1 2 240.372 2.783 20 0 BFADLO Cc1cc(NC2CSC2)nc(C(C)(C)C)[nH+]1 ZINC001157579180 963668215 /nfs/dbraw/zinc/66/82/15/963668215.db2.gz ANHWKBFPNCSYRZ-UHFFFAOYSA-N 1 2 237.372 2.610 20 0 BFADLO CCSc1cc[nH+]c(NC2CSC2)c1 ZINC001157579702 963669058 /nfs/dbraw/zinc/66/90/58/963669058.db2.gz RXODBRMNEJVQJN-UHFFFAOYSA-N 1 2 226.370 2.721 20 0 BFADLO Cc1ccc(C(C)(C)Nc2cc(N)nc[nH+]2)cc1 ZINC001157978881 963782832 /nfs/dbraw/zinc/78/28/32/963782832.db2.gz BEVHOMJZNNUFRX-UHFFFAOYSA-N 1 2 242.326 2.714 20 0 BFADLO CCN(CC)c1cc(NCCC2CCC2)[nH+]cn1 ZINC001158051140 963797582 /nfs/dbraw/zinc/79/75/82/963797582.db2.gz AHRYVQPYXDNNFL-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCN(CC)c1cc(NCCC2CCC2)nc[nH+]1 ZINC001158051140 963797583 /nfs/dbraw/zinc/79/75/83/963797583.db2.gz AHRYVQPYXDNNFL-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCCNc1cc(C)[nH+]c(OC(F)F)c1 ZINC001168137261 963834114 /nfs/dbraw/zinc/83/41/14/963834114.db2.gz OYCHLOJGPDWVSS-UHFFFAOYSA-N 1 2 216.231 2.813 20 0 BFADLO CCCNc1cc[nH+]c(OCc2ccccn2)c1 ZINC001168137991 963835430 /nfs/dbraw/zinc/83/54/30/963835430.db2.gz WYOJBQWBAUGAJW-UHFFFAOYSA-N 1 2 243.310 2.878 20 0 BFADLO CSc1cc[nH+]c(N[C@H]2CCC[C@@H](O)C2)c1 ZINC001158372504 963854073 /nfs/dbraw/zinc/85/40/73/963854073.db2.gz YBXPTHBXCPZYDY-VHSXEESVSA-N 1 2 238.356 2.519 20 0 BFADLO CCCOc1ccc(Nc2ccc(N)[nH+]c2)cn1 ZINC001159281808 964052483 /nfs/dbraw/zinc/05/24/83/964052483.db2.gz BSBSVCMJQZZULT-UHFFFAOYSA-N 1 2 244.298 2.591 20 0 BFADLO Nc1ccc(Nc2c(Cl)cccc2CO)c[nH+]1 ZINC001159281885 964053885 /nfs/dbraw/zinc/05/38/85/964053885.db2.gz HJBZKRVEVAFWQV-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO COc1cc(Nc2ccc(F)cc2N)cc(C)[nH+]1 ZINC001159442241 964094117 /nfs/dbraw/zinc/09/41/17/964094117.db2.gz DUFNQPFGQMOCHU-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO CCC=CNc1[nH+]cnc2[nH]cc(C)c21 ZINC001159662293 964138239 /nfs/dbraw/zinc/13/82/39/964138239.db2.gz MBMPEWYXQVUUNA-SNAWJCMRSA-N 1 2 202.261 2.554 20 0 BFADLO CCC=CNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001159662694 964140585 /nfs/dbraw/zinc/14/05/85/964140585.db2.gz ZTCVZOOZCIBFJK-QPJJXVBHSA-N 1 2 232.331 2.721 20 0 BFADLO CCOC(=O)[C@H](C)CNc1cccc(C2CC2)[nH+]1 ZINC001160891765 964436030 /nfs/dbraw/zinc/43/60/30/964436030.db2.gz JHIXSXLMNCKBKF-SNVBAGLBSA-N 1 2 248.326 2.570 20 0 BFADLO Cc1noc(C)c1Nc1cccc2[nH+]c[nH]c21 ZINC001213028313 964467152 /nfs/dbraw/zinc/46/71/52/964467152.db2.gz LOQNVDWLPXEOJK-UHFFFAOYSA-N 1 2 228.255 2.911 20 0 BFADLO Cc1ncc(Nc2cccc3[nH+]c[nH]c32)c(C)n1 ZINC001213028358 964487654 /nfs/dbraw/zinc/48/76/54/964487654.db2.gz MOCQOJGREARQND-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO Clc1nnccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213028356 964487980 /nfs/dbraw/zinc/48/79/80/964487980.db2.gz MMYHGOIFVQHWAI-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Fc1ccncc1Nc1cccc2[nH+]c[nH]c21 ZINC001213029667 964520788 /nfs/dbraw/zinc/52/07/88/964520788.db2.gz QJAHZHKEXTVJCU-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO Fc1cc(Nc2cccc3[nH+]c[nH]c32)cnc1F ZINC001213030642 964548378 /nfs/dbraw/zinc/54/83/78/964548378.db2.gz KRRDFZASJTVNQF-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO Cc1ccc(F)c(NCc2c[nH+]cn2C(C)C)n1 ZINC001161562789 964639670 /nfs/dbraw/zinc/63/96/70/964639670.db2.gz FYGSXZKZPKPDKN-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO CC(C)(C)CNc1ccn2cc[nH+]c2c1 ZINC001161639238 964655845 /nfs/dbraw/zinc/65/58/45/964655845.db2.gz LXKOOXYBAIGNKW-UHFFFAOYSA-N 1 2 203.289 2.792 20 0 BFADLO CC(C)(C)CNc1[nH+]cnc2[nH]cc(F)c21 ZINC001161636922 964657459 /nfs/dbraw/zinc/65/74/59/964657459.db2.gz SNPDLIPZGVNBSD-UHFFFAOYSA-N 1 2 222.267 2.555 20 0 BFADLO c1cn(CCCNc2cccc3ocnc32)c[nH+]1 ZINC001161684698 964684728 /nfs/dbraw/zinc/68/47/28/964684728.db2.gz JQVCDCVMDLOWEW-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO c1cn(CCCNc2ccc3c(c2)C=CC3)c[nH+]1 ZINC001161688027 964687305 /nfs/dbraw/zinc/68/73/05/964687305.db2.gz GYASZVXJDUKGEK-UHFFFAOYSA-N 1 2 239.322 2.955 20 0 BFADLO CCSc1cc[nH+]c(NCCc2cnoc2)c1 ZINC001161702788 964697408 /nfs/dbraw/zinc/69/74/08/964697408.db2.gz MDPFACPIJQSQGO-UHFFFAOYSA-N 1 2 249.339 2.836 20 0 BFADLO CCC[C@H](C)Nc1nc(C)[nH+]c2c1CCC2 ZINC001161716951 964707915 /nfs/dbraw/zinc/70/79/15/964707915.db2.gz USDLIWZYVNBHND-VIFPVBQESA-N 1 2 219.332 2.874 20 0 BFADLO Nc1[nH+]c(N[C@@H]2CC=CCC2)ccc1Cl ZINC001161758140 964740529 /nfs/dbraw/zinc/74/05/29/964740529.db2.gz WMCPHCZUHPYQIQ-MRVPVSSYSA-N 1 2 223.707 2.838 20 0 BFADLO CCn1cc(Nc2ccc(C)c(C)[nH+]2)ccc1=O ZINC001162174418 964859990 /nfs/dbraw/zinc/85/99/90/964859990.db2.gz ZRRWRUXNVWGSFC-UHFFFAOYSA-N 1 2 243.310 2.624 20 0 BFADLO C[Si](C)(C)c1ccc[nH+]c1NC1CC(F)C1 ZINC001162210033 964871022 /nfs/dbraw/zinc/87/10/22/964871022.db2.gz RNDSSWRGALJPTR-UHFFFAOYSA-N 1 2 238.382 2.539 20 0 BFADLO Cc1cc2cc(N[C@@H](CO)CC(C)C)[nH+]cc2[nH]1 ZINC001162363902 964943678 /nfs/dbraw/zinc/94/36/78/964943678.db2.gz GCYSLYWCOOEUEM-GFCCVEGCSA-N 1 2 247.342 2.690 20 0 BFADLO CC(C)OC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000042643886 964997354 /nfs/dbraw/zinc/99/73/54/964997354.db2.gz PVYUBVUUBISEIP-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000042643886 964997359 /nfs/dbraw/zinc/99/73/59/964997359.db2.gz PVYUBVUUBISEIP-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ccc(OC(F)F)nn1 ZINC001162660324 965091714 /nfs/dbraw/zinc/09/17/14/965091714.db2.gz IIHQDOHLMMAWHX-UHFFFAOYSA-N 1 2 244.245 2.513 20 0 BFADLO Clc1cnccc1Nc1ccn2cc[nH+]c2c1 ZINC001212153562 965099745 /nfs/dbraw/zinc/09/97/45/965099745.db2.gz UGJCIEAHHNMXPX-UHFFFAOYSA-N 1 2 244.685 2.548 20 0 BFADLO Cc1ccc(CNc2ccn3cc[nH+]c3c2)cn1 ZINC001162870520 965197557 /nfs/dbraw/zinc/19/75/57/965197557.db2.gz LFCRBYKPEWEHPZ-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO CC(C)N(c1cc(N)cc(Cl)[nH+]1)C(C)C ZINC001163574560 965457777 /nfs/dbraw/zinc/45/77/77/965457777.db2.gz IIHIESHVCCXXSO-UHFFFAOYSA-N 1 2 227.739 2.940 20 0 BFADLO CSCCCNc1cc(SC)[nH+]c(C)n1 ZINC001163869465 965609041 /nfs/dbraw/zinc/60/90/41/965609041.db2.gz UPWPVZUIPBWLQC-UHFFFAOYSA-N 1 2 243.401 2.672 20 0 BFADLO CSCCCNc1c[nH+]c2c(c1)CCC2 ZINC001163875148 965615227 /nfs/dbraw/zinc/61/52/27/965615227.db2.gz XLAJRVWZNPAAAU-UHFFFAOYSA-N 1 2 222.357 2.735 20 0 BFADLO Cc1cc(NC(=O)Cc2c[nH]c[nH+]2)ccc1Cl ZINC001163916394 965623982 /nfs/dbraw/zinc/62/39/82/965623982.db2.gz UFOWCCFGJAZVOC-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO COC1(C)CCN(c2cccc(C3CC3)[nH+]2)CC1 ZINC001163949386 965655320 /nfs/dbraw/zinc/65/53/20/965655320.db2.gz XWDHHYVHVSLWMC-UHFFFAOYSA-N 1 2 246.354 2.964 20 0 BFADLO Cc1cc(N2CC(F)(C3CC3)C2)nc(C2CC2)[nH+]1 ZINC001163972483 965669247 /nfs/dbraw/zinc/66/92/47/965669247.db2.gz RIQFTPLDTCABLD-UHFFFAOYSA-N 1 2 247.317 2.601 20 0 BFADLO CC(C)c1ccc(N2C[C@@H](F)[C@H](F)C2)[nH+]c1 ZINC001164210890 965798157 /nfs/dbraw/zinc/79/81/57/965798157.db2.gz LWFWPDCTGIQNHT-GHMZBOCLSA-N 1 2 226.270 2.701 20 0 BFADLO CCSc1cc[nH+]c(N2C[C@@H](F)[C@H](F)C2)c1 ZINC001164215103 965799494 /nfs/dbraw/zinc/79/94/94/965799494.db2.gz NWBBFQKYLUJAAI-NXEZZACHSA-N 1 2 244.310 2.690 20 0 BFADLO Cc1nc(NCCSCc2ccco2)cc[nH+]1 ZINC001164224430 965802764 /nfs/dbraw/zinc/80/27/64/965802764.db2.gz TUARGCZRTNMOJF-UHFFFAOYSA-N 1 2 249.339 2.723 20 0 BFADLO Cc1cccc(C2(Nc3cccc[nH+]3)COC2)c1 ZINC001168468024 965821568 /nfs/dbraw/zinc/82/15/68/965821568.db2.gz AACSCDFFOSRTCE-UHFFFAOYSA-N 1 2 240.306 2.728 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[NH+]1CC2(C1)CCCO2 ZINC001168478135 965873964 /nfs/dbraw/zinc/87/39/64/965873964.db2.gz FGXGCJHZNGLYOW-GFCCVEGCSA-N 1 2 249.329 2.622 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001168479232 965878529 /nfs/dbraw/zinc/87/85/29/965878529.db2.gz JSTZNBQPFACTSG-NEPJUHHUSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC(=O)C[C@@H]1C ZINC001168479232 965878541 /nfs/dbraw/zinc/87/85/41/965878541.db2.gz JSTZNBQPFACTSG-NEPJUHHUSA-N 1 2 249.329 2.810 20 0 BFADLO CC1(F)CN(c2cccc(C3CC3)[nH+]2)C1 ZINC001164591456 965933824 /nfs/dbraw/zinc/93/38/24/965933824.db2.gz HCWZPJRNWHPMKE-UHFFFAOYSA-N 1 2 206.264 2.507 20 0 BFADLO Cc1cc(NC[C@@H]2CCCCO2)c[nH+]c1C ZINC001165228523 965995149 /nfs/dbraw/zinc/99/51/49/965995149.db2.gz CIAMVTWNSOBYJV-ZDUSSCGKSA-N 1 2 220.316 2.679 20 0 BFADLO CC(C)c1ccc(N2CC[C@]3(CCOC3)C2)[nH+]c1 ZINC001165255933 966014581 /nfs/dbraw/zinc/01/45/81/966014581.db2.gz YSYABYIBHLOFFV-HNNXBMFYSA-N 1 2 246.354 2.822 20 0 BFADLO Cc1ccnc(C[N@@H+](C)C2CC2)c1Cl ZINC001235574699 966090367 /nfs/dbraw/zinc/09/03/67/966090367.db2.gz AEEDABWLXNSNJP-UHFFFAOYSA-N 1 2 210.708 2.638 20 0 BFADLO Cc1ccnc(C[N@H+](C)C2CC2)c1Cl ZINC001235574699 966090381 /nfs/dbraw/zinc/09/03/81/966090381.db2.gz AEEDABWLXNSNJP-UHFFFAOYSA-N 1 2 210.708 2.638 20 0 BFADLO COC(C)(C)CNc1[nH+]cccc1-n1cccc1 ZINC001165803301 966164356 /nfs/dbraw/zinc/16/43/56/966164356.db2.gz HGAPSSUNCKKEEM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1C[C@@H]1CCOC1 ZINC000919144123 966294218 /nfs/dbraw/zinc/29/42/18/966294218.db2.gz OWRWKOGBJMJLPQ-AWEZNQCLSA-N 1 2 242.322 2.510 20 0 BFADLO Clc1ccccc1C[N@@H+]1CCCC12COC2 ZINC001203383336 966336853 /nfs/dbraw/zinc/33/68/53/966336853.db2.gz XCFHLCBWUTTZPU-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1ccccc1C[N@H+]1CCCC12COC2 ZINC001203383336 966336870 /nfs/dbraw/zinc/33/68/70/966336870.db2.gz XCFHLCBWUTTZPU-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO CNc1ccc(Nc2cccn3nccc23)c[nH+]1 ZINC001203455225 966385911 /nfs/dbraw/zinc/38/59/11/966385911.db2.gz RAGCEMJXAGZNEX-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO CCc1cn(CC[C@@H](O)c2ccccc2)c[nH+]1 ZINC001166823486 966428101 /nfs/dbraw/zinc/42/81/01/966428101.db2.gz UOTUQYBAEFQJLQ-CQSZACIVSA-N 1 2 230.311 2.569 20 0 BFADLO CN(C)c1ccc(NCCc2ccsc2)[nH+]c1 ZINC001166849978 966430155 /nfs/dbraw/zinc/43/01/55/966430155.db2.gz GRXTYKGCAXIXNE-UHFFFAOYSA-N 1 2 247.367 2.864 20 0 BFADLO C[C@H]1CC(=O)CCN1c1ccc(C(C)(C)C)c[nH+]1 ZINC001166936050 966449460 /nfs/dbraw/zinc/44/94/60/966449460.db2.gz DPRVUPLGIDYRPO-NSHDSACASA-N 1 2 246.354 2.937 20 0 BFADLO Cc1cc(C)c(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC001127644669 966546956 /nfs/dbraw/zinc/54/69/56/966546956.db2.gz GVEXODROUWKGLW-UHFFFAOYSA-N 1 2 246.335 2.743 20 0 BFADLO CCc1cc(C[N@H+](C)Cc2cccc(O)c2)on1 ZINC001203211432 966551285 /nfs/dbraw/zinc/55/12/85/966551285.db2.gz CPHIRDUTHNNQFU-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCc1cc(C[N@@H+](C)Cc2cccc(O)c2)on1 ZINC001203211432 966551310 /nfs/dbraw/zinc/55/13/10/966551310.db2.gz CPHIRDUTHNNQFU-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2ccco2)C[C@@H]1F ZINC001203272228 966592401 /nfs/dbraw/zinc/59/24/01/966592401.db2.gz BKTHAUBWPNCHIP-QWRGUYRKSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2ccco2)C[C@@H]1F ZINC001203272228 966592411 /nfs/dbraw/zinc/59/24/11/966592411.db2.gz BKTHAUBWPNCHIP-QWRGUYRKSA-N 1 2 215.243 2.552 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccccc2F)CCCC1=O ZINC001203346526 966610668 /nfs/dbraw/zinc/61/06/68/966610668.db2.gz PHHPCXSJVKBQPF-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccccc2F)CCCC1=O ZINC001203346526 966610670 /nfs/dbraw/zinc/61/06/70/966610670.db2.gz PHHPCXSJVKBQPF-LLVKDONJSA-N 1 2 235.302 2.627 20 0 BFADLO Cc1cnc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001203362723 966613726 /nfs/dbraw/zinc/61/37/26/966613726.db2.gz FZWJNZYZERCEJC-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CCc1nccnc1Nc1ccc(C)[nH+]c1C ZINC001203370904 966618949 /nfs/dbraw/zinc/61/89/49/966618949.db2.gz ZZYKULGMDARJQT-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO COc1nccc(Nc2ccc(C)[nH+]c2C)c1F ZINC001203369851 966619960 /nfs/dbraw/zinc/61/99/60/966619960.db2.gz UFEYGFPFQUUQPX-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Fc1cccc(Cl)c1C[NH+]1CC=CC1 ZINC001203399087 966636181 /nfs/dbraw/zinc/63/61/81/966636181.db2.gz IHUUTWZYOBAUKV-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO CNc1ccc(Nc2cnccc2Cl)c[nH+]1 ZINC001203448728 966646916 /nfs/dbraw/zinc/64/69/16/966646916.db2.gz HEVBKDPEYSNNOW-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2nc3c(s2)CCC3)c[nH+]1 ZINC001203446597 966649410 /nfs/dbraw/zinc/64/94/10/966649410.db2.gz FMVRFWKCQQQNCV-UHFFFAOYSA-N 1 2 246.339 2.812 20 0 BFADLO CNc1ccc(Nc2nc(F)ccc2F)c[nH+]1 ZINC001203453183 966656119 /nfs/dbraw/zinc/65/61/19/966656119.db2.gz XTWLDCXXKRWIDY-UHFFFAOYSA-N 1 2 236.225 2.540 20 0 BFADLO CNc1ccc(Nc2ccn3ccnc3c2)c[nH+]1 ZINC001203455488 966656542 /nfs/dbraw/zinc/65/65/42/966656542.db2.gz UCRWZTQCIUGKNL-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO CNc1ccc(Nc2ccc(O)cc2F)c[nH+]1 ZINC001203456828 966656917 /nfs/dbraw/zinc/65/69/17/966656917.db2.gz ZJDJQAUOVFKDTP-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CNc1ccc(Nc2cn(CC(C)C)cn2)c[nH+]1 ZINC001203452999 966657227 /nfs/dbraw/zinc/65/72/27/966657227.db2.gz VZYXTMBYMROEEN-UHFFFAOYSA-N 1 2 245.330 2.719 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccsc2C(N)=O)c1 ZINC001203654632 966720751 /nfs/dbraw/zinc/72/07/51/966720751.db2.gz NXJZVUFDYZYZBU-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO COc1ncc(F)cc1Nc1cc(C)c[nH+]c1C ZINC001203656948 966722248 /nfs/dbraw/zinc/72/22/48/966722248.db2.gz FGSQAKMOYLAQOX-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccccc2C(N)=O)c1 ZINC001203663605 966731044 /nfs/dbraw/zinc/73/10/44/966731044.db2.gz UEDQQKFHHVZVKP-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Fc1cccc(C[N@@H+]2CCCCC23COC3)c1 ZINC001203786717 966779583 /nfs/dbraw/zinc/77/95/83/966779583.db2.gz NWTVLSYIRBHTLH-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO Fc1cccc(C[N@H+]2CCCCC23COC3)c1 ZINC001203786717 966779600 /nfs/dbraw/zinc/77/96/00/966779600.db2.gz NWTVLSYIRBHTLH-UHFFFAOYSA-N 1 2 235.302 2.581 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cccc(O)c2)C[C@H]1F ZINC001203859177 966798824 /nfs/dbraw/zinc/79/88/24/966798824.db2.gz HFMPGZPVEMOYOI-OLZOCXBDSA-N 1 2 241.281 2.664 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cccc(O)c2)C[C@H]1F ZINC001203859177 966798834 /nfs/dbraw/zinc/79/88/34/966798834.db2.gz HFMPGZPVEMOYOI-OLZOCXBDSA-N 1 2 241.281 2.664 20 0 BFADLO Cc1cccc(C[N@@H+]2CCc3occc3C2)n1 ZINC001204070365 966881216 /nfs/dbraw/zinc/88/12/16/966881216.db2.gz LZINDYPZFUMISP-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc(C[N@H+]2CCc3occc3C2)n1 ZINC001204070365 966881221 /nfs/dbraw/zinc/88/12/21/966881221.db2.gz LZINDYPZFUMISP-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO CNc1ccc(Nc2cc(O)ccc2F)c[nH+]1 ZINC001203458233 966882193 /nfs/dbraw/zinc/88/21/93/966882193.db2.gz GZRXONLMWZDVJW-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CNc1cc(-c2ccc(OC)cc2)cc[nH+]1 ZINC001239485913 966904443 /nfs/dbraw/zinc/90/44/43/966904443.db2.gz QQFPXRZVLAYMRU-UHFFFAOYSA-N 1 2 214.268 2.799 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(CC)cc2)C1 ZINC001204177607 966917169 /nfs/dbraw/zinc/91/71/69/966917169.db2.gz XFRDZDHSALAKPA-UHFFFAOYSA-N 1 2 233.355 2.860 20 0 BFADLO COC1CCC(Nc2ccc(N(C)C)c[nH+]2)CC1 ZINC001168608742 966980679 /nfs/dbraw/zinc/98/06/79/966980679.db2.gz PGZXFCSJWJRMSX-UHFFFAOYSA-N 1 2 249.358 2.517 20 0 BFADLO CNc1ccc(Nc2cccc3c2COC3)c[nH+]1 ZINC001203460857 966982688 /nfs/dbraw/zinc/98/26/88/966982688.db2.gz XRMYGSGHKIROHY-UHFFFAOYSA-N 1 2 241.294 2.897 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cnc(C)nc2)o1 ZINC001204395184 966992919 /nfs/dbraw/zinc/99/29/19/966992919.db2.gz LXGSERPBKRXJBG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cnc(C)nc2)o1 ZINC001204395184 966992932 /nfs/dbraw/zinc/99/29/32/966992932.db2.gz LXGSERPBKRXJBG-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1c(F)cccc1C[NH+]1CC(OC(C)C)C1 ZINC001204513517 967014970 /nfs/dbraw/zinc/01/49/70/967014970.db2.gz HVXPKIAKWBRRQQ-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO Nc1ccc(Nc2[nH+]cccc2N)c(Cl)c1 ZINC001249729774 967037207 /nfs/dbraw/zinc/03/72/07/967037207.db2.gz WDCOQMPYCHEOCA-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO CN(C)c1ccc(Cc2ccccc2F)c[nH+]1 ZINC001249982737 967223854 /nfs/dbraw/zinc/22/38/54/967223854.db2.gz BBPSWDHPXAPCPY-UHFFFAOYSA-N 1 2 230.286 2.878 20 0 BFADLO Cc1ncccc1Nc1ccn2cc[nH+]c2c1 ZINC001204950653 967250964 /nfs/dbraw/zinc/25/09/64/967250964.db2.gz CSRXTCQTGIROPG-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CCn1cc(Nc2ccn3cc[nH+]c3c2)c(C)n1 ZINC001204951139 967252214 /nfs/dbraw/zinc/25/22/14/967252214.db2.gz NWEPJOSCXFUKSJ-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO Cc1ccc(Nc2ccn3cc[nH+]c3c2)c(F)n1 ZINC001204951250 967252461 /nfs/dbraw/zinc/25/24/61/967252461.db2.gz POYJJBZBDXFARW-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Fc1ccnc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204951448 967253029 /nfs/dbraw/zinc/25/30/29/967253029.db2.gz SDAWHBXCKZHJQL-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO S=c1[nH]cccc1Nc1ccn2cc[nH+]c2c1 ZINC001204958813 967255378 /nfs/dbraw/zinc/25/53/78/967255378.db2.gz CBPHISQCIBIACR-UHFFFAOYSA-N 1 2 242.307 2.762 20 0 BFADLO c1cn2ccc(Nc3cccn4cc[nH+]c34)cc2n1 ZINC001204958688 967255607 /nfs/dbraw/zinc/25/56/07/967255607.db2.gz ANCOPAWVAFUQQV-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO c1cn2ccc(Nc3cn4ccccc4n3)cc2[nH+]1 ZINC001204966159 967264837 /nfs/dbraw/zinc/26/48/37/967264837.db2.gz OQKXBIVRNWBPAS-UHFFFAOYSA-N 1 2 249.277 2.726 20 0 BFADLO Cc1cnc(Nc2ccn3cc[nH+]c3c2)c(F)c1 ZINC001204965609 967264949 /nfs/dbraw/zinc/26/49/49/967264949.db2.gz DXNQLWVCGWUJOL-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO Nc1[nH+]cccc1CCC(=O)c1ccc(F)cc1 ZINC001250028191 967280919 /nfs/dbraw/zinc/28/09/19/967280919.db2.gz OSHVRVBKGZOUPK-UHFFFAOYSA-N 1 2 244.269 2.618 20 0 BFADLO Nc1cc(C(F)(F)F)c(CC(F)(F)F)c[nH+]1 ZINC001250030369 967284766 /nfs/dbraw/zinc/28/47/66/967284766.db2.gz HJHYCLYQWSHMPZ-UHFFFAOYSA-N 1 2 244.138 2.787 20 0 BFADLO Cc1noc(C)c1Cc1ccn2cc[nH+]c2c1 ZINC001250068697 967337742 /nfs/dbraw/zinc/33/77/42/967337742.db2.gz UVLPJQVMIQPZTR-UHFFFAOYSA-N 1 2 227.267 2.530 20 0 BFADLO Cc1[nH+]cc(Cc2cc(F)cc(F)c2)cc1N ZINC001250095505 967364167 /nfs/dbraw/zinc/36/41/67/967364167.db2.gz RCXJMADHUOCTGG-UHFFFAOYSA-N 1 2 234.249 2.841 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1C[C@@H]1CCCO1 ZINC001250104470 967380247 /nfs/dbraw/zinc/38/02/47/967380247.db2.gz JJQBWJSHUWPPPW-AWEZNQCLSA-N 1 2 217.312 2.989 20 0 BFADLO C[C@H](CCCC(C)(C)O)Nc1cccc[nH+]1 ZINC001168691605 967387405 /nfs/dbraw/zinc/38/74/05/967387405.db2.gz FSMVOOWIAANFGE-LLVKDONJSA-N 1 2 222.332 2.823 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2F)CCO1 ZINC001205192811 967422925 /nfs/dbraw/zinc/42/29/25/967422925.db2.gz CCIZATIDIODHDM-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2F)CCO1 ZINC001205192811 967422935 /nfs/dbraw/zinc/42/29/35/967422935.db2.gz CCIZATIDIODHDM-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CCn1nccc1Nc1[nH+]c(C)ccc1C ZINC001205282292 967468393 /nfs/dbraw/zinc/46/83/93/967468393.db2.gz YSIBMMUKEOOXPI-UHFFFAOYSA-N 1 2 216.288 2.658 20 0 BFADLO CCN(CC)c1cc(N[C@H]2CC=CCC2)[nH+]cn1 ZINC001161754991 967633441 /nfs/dbraw/zinc/63/34/41/967633441.db2.gz ZYBAFHLGOGHNNX-LBPRGKRZSA-N 1 2 246.358 2.843 20 0 BFADLO CCN(CC)c1cc(N[C@H]2CC=CCC2)nc[nH+]1 ZINC001161754991 967633457 /nfs/dbraw/zinc/63/34/57/967633457.db2.gz ZYBAFHLGOGHNNX-LBPRGKRZSA-N 1 2 246.358 2.843 20 0 BFADLO Cc1[nH+]cc(CCOCc2ccccc2)cc1N ZINC001250295059 967640067 /nfs/dbraw/zinc/64/00/67/967640067.db2.gz HKFAFZBRNLGZJN-UHFFFAOYSA-N 1 2 242.322 2.732 20 0 BFADLO CCOc1cc(C[N@@H+]2CC[C@H]2C)c(Cl)cn1 ZINC001250304698 967649004 /nfs/dbraw/zinc/64/90/04/967649004.db2.gz IXEXDDBQNSZKII-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1cc(C[N@H+]2CC[C@H]2C)c(Cl)cn1 ZINC001250304698 967649026 /nfs/dbraw/zinc/64/90/26/967649026.db2.gz IXEXDDBQNSZKII-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO CC(C)Nc1ccc(CCn2cc[nH+]c2)cc1 ZINC001250316135 967677181 /nfs/dbraw/zinc/67/71/81/967677181.db2.gz BPXUIQKTCUMDTO-UHFFFAOYSA-N 1 2 229.327 2.946 20 0 BFADLO c1cn(CCc2ccc3ncsc3c2)c[nH+]1 ZINC001250315948 967679134 /nfs/dbraw/zinc/67/91/34/967679134.db2.gz YSGZHRXDMWBMRK-UHFFFAOYSA-N 1 2 229.308 2.736 20 0 BFADLO CCOc1ccc(OC)cc1CCn1cc[nH+]c1 ZINC001250316800 967689738 /nfs/dbraw/zinc/68/97/38/967689738.db2.gz YNMBFPNZEGHSBL-UHFFFAOYSA-N 1 2 246.310 2.533 20 0 BFADLO c1ccc(Cc2ccc[nH+]c2N2CCCC2)nc1 ZINC001250319404 967693392 /nfs/dbraw/zinc/69/33/92/967693392.db2.gz GMKMBQVHOVZDSB-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO Cc1cc(CCn2cc[nH+]c2)cc(Cl)c1O ZINC001250320316 967697268 /nfs/dbraw/zinc/69/72/68/967697268.db2.gz KQHWYSBYEKLHCI-UHFFFAOYSA-N 1 2 236.702 2.793 20 0 BFADLO COc1cc(C)c(C)cc1CCn1cc[nH+]c1 ZINC001250320563 967697782 /nfs/dbraw/zinc/69/77/82/967697782.db2.gz OZSMYDDQYFMSBS-UHFFFAOYSA-N 1 2 230.311 2.751 20 0 BFADLO c1ccc(Cc2ccc(N3CCCC3)[nH+]c2)nc1 ZINC001250319906 967698167 /nfs/dbraw/zinc/69/81/67/967698167.db2.gz ZSOYVJPZRMWJRE-UHFFFAOYSA-N 1 2 239.322 2.668 20 0 BFADLO Cc1ccc(CCC(=O)OC(C)(C)C)c(C)[nH+]1 ZINC001250329288 967716822 /nfs/dbraw/zinc/71/68/22/967716822.db2.gz LILXHSATLBZUDN-UHFFFAOYSA-N 1 2 235.327 2.973 20 0 BFADLO Fc1c[nH]c2nc[nH+]c(NC(C3CC3)C3CC3)c12 ZINC001168746535 967723419 /nfs/dbraw/zinc/72/34/19/967723419.db2.gz VJFTUNSVWLEYSI-UHFFFAOYSA-N 1 2 246.289 2.698 20 0 BFADLO COC(C)(C)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250353891 967750125 /nfs/dbraw/zinc/75/01/25/967750125.db2.gz SJYFLHMLVRJJQC-UHFFFAOYSA-N 1 2 244.338 2.899 20 0 BFADLO Cc1ccc(F)c(C[N@H+](C)Cc2ccncn2)c1 ZINC001205669865 967754513 /nfs/dbraw/zinc/75/45/13/967754513.db2.gz BVKOKVZQOSYAJO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccncn2)c1 ZINC001205669865 967754528 /nfs/dbraw/zinc/75/45/28/967754528.db2.gz BVKOKVZQOSYAJO-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CC(C)OCCc1ccc(N2CCCC2)[nH+]c1 ZINC001250404118 967812608 /nfs/dbraw/zinc/81/26/08/967812608.db2.gz LTLRHVBSWONSDY-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@@H]1C[C@]12CCCOC2 ZINC001162376589 967815543 /nfs/dbraw/zinc/81/55/43/967815543.db2.gz PBVFTYBZNGOYFY-YPMHNXCESA-N 1 2 236.290 2.510 20 0 BFADLO CC(C)OCCc1ccc[nH+]c1N1CCCC1 ZINC001250411585 967819807 /nfs/dbraw/zinc/81/98/07/967819807.db2.gz ZKDAGJOMVHOAEG-UHFFFAOYSA-N 1 2 234.343 2.649 20 0 BFADLO COc1cc2[nH+]c(C(C)C)[nH]c2cc1F ZINC001250416195 967823277 /nfs/dbraw/zinc/82/32/77/967823277.db2.gz LKHZLBXRLNSUJX-UHFFFAOYSA-N 1 2 208.236 2.834 20 0 BFADLO CSCCc1[nH]c2cc3c(cc2[nH+]1)CCC3 ZINC001250426979 967843933 /nfs/dbraw/zinc/84/39/33/967843933.db2.gz ZNLNMIWPDMTBKD-UHFFFAOYSA-N 1 2 232.352 2.957 20 0 BFADLO Cc1cc(F)cc2[nH+]c([C@@H]3CCOC3)[nH]c21 ZINC001250432382 967850633 /nfs/dbraw/zinc/85/06/33/967850633.db2.gz PKFWLQHKAHMBHT-MRVPVSSYSA-N 1 2 220.247 2.514 20 0 BFADLO Cc1cccnc1-c1ccc2[nH+]ccn2c1 ZINC001250471630 967895442 /nfs/dbraw/zinc/89/54/42/967895442.db2.gz BPAJCAIEXKAEPX-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(O)c(F)c2F)[C@@H]1C ZINC001206013804 967944662 /nfs/dbraw/zinc/94/46/62/967944662.db2.gz AVMLKFMSQZSKEN-HTQZYQBOSA-N 1 2 227.254 2.511 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)[C@@H]1C ZINC001206013804 967944678 /nfs/dbraw/zinc/94/46/78/967944678.db2.gz AVMLKFMSQZSKEN-HTQZYQBOSA-N 1 2 227.254 2.511 20 0 BFADLO Cc1nc(-c2ccc3[nH+]ccn3c2)ccc1F ZINC001250489012 967952581 /nfs/dbraw/zinc/95/25/81/967952581.db2.gz UPPJAWWYXGABEU-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1ccc2[nH]c(C[C@@H](C)SC)[nH+]c2c1 ZINC001250566558 968085322 /nfs/dbraw/zinc/08/53/22/968085322.db2.gz IOVPESIBWIFSGV-MRVPVSSYSA-N 1 2 236.340 2.866 20 0 BFADLO Cc1cccc2c1[nH+]c(CC1CC1)n2C ZINC001250573193 968091524 /nfs/dbraw/zinc/09/15/24/968091524.db2.gz WAWVZCRYNZGWTF-UHFFFAOYSA-N 1 2 200.285 2.834 20 0 BFADLO CC1CC(N(C)c2cc(N)cc(Cl)[nH+]2)C1 ZINC001164195453 968187029 /nfs/dbraw/zinc/18/70/29/968187029.db2.gz ROVILFHHKWREGG-UHFFFAOYSA-N 1 2 225.723 2.552 20 0 BFADLO CCc1cccc(Nc2ccccc2N)[nH+]1 ZINC001206323149 968229960 /nfs/dbraw/zinc/22/99/60/968229960.db2.gz TVNUXMYPKCTKIH-UHFFFAOYSA-N 1 2 213.284 2.970 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1nc2cc(F)ccc2[nH]1 ZINC001251089456 968262520 /nfs/dbraw/zinc/26/25/20/968262520.db2.gz UFQVFHDDAKPKSZ-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO COCC(C)(C)Nc1cc2cc(C)[nH]c2c[nH+]1 ZINC001165984090 968313501 /nfs/dbraw/zinc/31/35/01/968313501.db2.gz ZBMWBBBGSQADKJ-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO Cc1cc(F)cc(Nc2ccc(N)[nH+]c2)c1 ZINC000085729381 968432722 /nfs/dbraw/zinc/43/27/22/968432722.db2.gz KLUIRVWLBLBCNG-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO CCOc1cc(Nc2ccc(NC)[nH+]c2)ccn1 ZINC001203449049 968436665 /nfs/dbraw/zinc/43/66/65/968436665.db2.gz XIWASZGSFSPLQQ-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO COc1cc(C)ccc1C[NH+]1CC(OC(C)C)C1 ZINC001206782798 968468214 /nfs/dbraw/zinc/46/82/14/968468214.db2.gz FZDLELDXEXOQGE-UHFFFAOYSA-N 1 2 249.354 2.613 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC[C@](C)(F)C2)no1 ZINC001206818442 968489960 /nfs/dbraw/zinc/48/99/60/968489960.db2.gz SAWXNYUIISJSRP-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1cc(C[N@H+]2CCCC[C@](C)(F)C2)no1 ZINC001206818442 968489966 /nfs/dbraw/zinc/48/99/66/968489966.db2.gz SAWXNYUIISJSRP-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO CCCC[C@H](O)C[N@@H+]1CCCCC(F)(F)C1 ZINC001252077859 968493630 /nfs/dbraw/zinc/49/36/30/968493630.db2.gz WJVZYYVKWOGTIP-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO CCCC[C@H](O)C[N@H+]1CCCCC(F)(F)C1 ZINC001252077859 968493637 /nfs/dbraw/zinc/49/36/37/968493637.db2.gz WJVZYYVKWOGTIP-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO Cc1ncsc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001206863307 968506537 /nfs/dbraw/zinc/50/65/37/968506537.db2.gz NKPQMNUDUFKSJU-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1ncsc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001206863307 968506546 /nfs/dbraw/zinc/50/65/46/968506546.db2.gz NKPQMNUDUFKSJU-QWRGUYRKSA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CO[C@H](C)C1 ZINC000401822125 968544987 /nfs/dbraw/zinc/54/49/87/968544987.db2.gz FCQAUCNEEKEQOQ-NEPJUHHUSA-N 1 2 234.343 2.650 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cncc(F)c2)cn1 ZINC001207024663 968558191 /nfs/dbraw/zinc/55/81/91/968558191.db2.gz DFCJGYYOQYWACD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cncc(F)c2)cn1 ZINC001207024663 968558199 /nfs/dbraw/zinc/55/81/99/968558199.db2.gz DFCJGYYOQYWACD-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[N@H+](Cc1cccc(F)c1)Cc1ncccc1F ZINC001207026452 968560367 /nfs/dbraw/zinc/56/03/67/968560367.db2.gz JWFLGXSLLFRLDI-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccc(F)c1)Cc1ncccc1F ZINC001207026452 968560374 /nfs/dbraw/zinc/56/03/74/968560374.db2.gz JWFLGXSLLFRLDI-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO c1[nH+]c(CN2CCC3(CCC3)C2)n2ccccc12 ZINC001207052967 968585520 /nfs/dbraw/zinc/58/55/20/968585520.db2.gz IMGSJXGYEXNWFV-UHFFFAOYSA-N 1 2 241.338 2.710 20 0 BFADLO Cc1ncccc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001207147703 968657966 /nfs/dbraw/zinc/65/79/66/968657966.db2.gz HRDYXAAUFJMGJO-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ncccc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001207147703 968657971 /nfs/dbraw/zinc/65/79/71/968657971.db2.gz HRDYXAAUFJMGJO-QWHCGFSZSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001207155683 968663997 /nfs/dbraw/zinc/66/39/97/968663997.db2.gz YFLRFQKPJRHMRH-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)c1 ZINC001207155683 968664001 /nfs/dbraw/zinc/66/40/01/968664001.db2.gz YFLRFQKPJRHMRH-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001207155684 968665166 /nfs/dbraw/zinc/66/51/66/968665166.db2.gz YFLRFQKPJRHMRH-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cncc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)c1 ZINC001207155684 968665172 /nfs/dbraw/zinc/66/51/72/968665172.db2.gz YFLRFQKPJRHMRH-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO C=Cc1[nH+]c(N2CCOCC2)cc2ccccc21 ZINC001240829631 968719229 /nfs/dbraw/zinc/71/92/29/968719229.db2.gz ZCNHUANPVSIMPY-UHFFFAOYSA-N 1 2 240.306 2.714 20 0 BFADLO COc1cc(F)c(/C(C)=C/C=C/[NH3+])cc1F ZINC001240959469 968828343 /nfs/dbraw/zinc/82/83/43/968828343.db2.gz VMRUGAVWJMNXMC-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO CC[C@@H]1COC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000829421706 968828457 /nfs/dbraw/zinc/82/84/57/968828457.db2.gz WWHUVHFNUFRFNV-BXUZGUMPSA-N 1 2 234.343 2.590 20 0 BFADLO CC[C@H]1COC[C@@H]1Nc1ccc([NH+](C)C)cc1C ZINC000829421397 968837723 /nfs/dbraw/zinc/83/77/23/968837723.db2.gz URZJIBVSERRHKW-WFASDCNBSA-N 1 2 248.370 2.898 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(F)ccc(F)c1F ZINC001241047723 968876514 /nfs/dbraw/zinc/87/65/14/968876514.db2.gz ONNLGDBYWFQVHZ-YPCIICBESA-N 1 2 213.202 2.980 20 0 BFADLO CCc1noc([C@H](C)[N@@H+]2CC(C)(C)C2(C)C)n1 ZINC001252638752 968888151 /nfs/dbraw/zinc/88/81/51/968888151.db2.gz YFWXMJMUKMSVAU-VIFPVBQESA-N 1 2 237.347 2.813 20 0 BFADLO CCc1noc([C@H](C)[N@H+]2CC(C)(C)C2(C)C)n1 ZINC001252638752 968888159 /nfs/dbraw/zinc/88/81/59/968888159.db2.gz YFWXMJMUKMSVAU-VIFPVBQESA-N 1 2 237.347 2.813 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccccc1N ZINC001241072509 968889344 /nfs/dbraw/zinc/88/93/44/968889344.db2.gz MPXCIEOPNASPRH-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO C[C@@H](C[N@@H+]1CCCC(=O)[C@H](F)C1)c1ccccc1 ZINC001207899958 968925296 /nfs/dbraw/zinc/92/52/96/968925296.db2.gz RECCCJMEOKFHAG-GXTWGEPZSA-N 1 2 249.329 2.793 20 0 BFADLO C[C@@H](C[N@H+]1CCCC(=O)[C@H](F)C1)c1ccccc1 ZINC001207899958 968925299 /nfs/dbraw/zinc/92/52/99/968925299.db2.gz RECCCJMEOKFHAG-GXTWGEPZSA-N 1 2 249.329 2.793 20 0 BFADLO CCCn1nc(C)cc1-c1ccc2[nH+]ccn2c1 ZINC001241763097 969112538 /nfs/dbraw/zinc/11/25/38/969112538.db2.gz SBAZVGGYJWENOU-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Fc1cccc(CC[NH+]2CC3(C2)CCCCO3)c1 ZINC001208196140 969121231 /nfs/dbraw/zinc/12/12/31/969121231.db2.gz WGAWKBJXOMRFPX-UHFFFAOYSA-N 1 2 249.329 2.623 20 0 BFADLO CC/C=C\CC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001208733888 969222499 /nfs/dbraw/zinc/22/24/99/969222499.db2.gz LCCNOTYHFCPIJK-JZIMQPMSSA-N 1 2 246.354 2.811 20 0 BFADLO CC/C=C\CC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001208733888 969222506 /nfs/dbraw/zinc/22/25/06/969222506.db2.gz LCCNOTYHFCPIJK-JZIMQPMSSA-N 1 2 246.354 2.811 20 0 BFADLO CNc1ccc(NCc2cc(C(C)C)no2)c[nH+]1 ZINC001168829138 969228004 /nfs/dbraw/zinc/22/80/04/969228004.db2.gz MDPYOJXLNUXFPD-UHFFFAOYSA-N 1 2 246.314 2.847 20 0 BFADLO C[N@H+]1CC=C(Nc2ccccc2S)CC1 ZINC001208837100 969250267 /nfs/dbraw/zinc/25/02/67/969250267.db2.gz FVALWTWKJVAKRS-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO C[N@@H+]1CC=C(Nc2ccccc2S)CC1 ZINC001208837100 969250278 /nfs/dbraw/zinc/25/02/78/969250278.db2.gz FVALWTWKJVAKRS-UHFFFAOYSA-N 1 2 220.341 2.607 20 0 BFADLO CCc1cncc(Nc2[nH+]cc(C)cc2N)c1 ZINC001209165877 969369474 /nfs/dbraw/zinc/36/94/74/969369474.db2.gz IYVIZTCNYRFUNK-UHFFFAOYSA-N 1 2 228.299 2.673 20 0 BFADLO COc1cccnc1CNc1c[nH+]cc(C)c1C ZINC001169210049 969484978 /nfs/dbraw/zinc/48/49/78/969484978.db2.gz LYFGREGAZSXQFG-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(Cl)s1 ZINC001209471720 969523035 /nfs/dbraw/zinc/52/30/35/969523035.db2.gz MWWHZKHQRJWLFO-ACLDMZEESA-N 1 2 246.738 2.729 20 0 BFADLO F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(Cl)s1 ZINC001209471720 969523041 /nfs/dbraw/zinc/52/30/41/969523041.db2.gz MWWHZKHQRJWLFO-ACLDMZEESA-N 1 2 246.738 2.729 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC001209564862 969546826 /nfs/dbraw/zinc/54/68/26/969546826.db2.gz XPGAJHYPODUBRT-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC001209564862 969546830 /nfs/dbraw/zinc/54/68/30/969546830.db2.gz XPGAJHYPODUBRT-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccon2)cn1 ZINC001209567359 969551031 /nfs/dbraw/zinc/55/10/31/969551031.db2.gz GCNUJQMLIRTSTH-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccon2)cn1 ZINC001209567359 969551034 /nfs/dbraw/zinc/55/10/34/969551034.db2.gz GCNUJQMLIRTSTH-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ncccn1 ZINC001169315408 969561428 /nfs/dbraw/zinc/56/14/28/969561428.db2.gz JBZCRGKROGJWFD-VHSXEESVSA-N 1 2 233.340 2.950 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1nn(C)c2ccccc12 ZINC001209577780 969561902 /nfs/dbraw/zinc/56/19/02/969561902.db2.gz VMYDYEDIYNISFB-GHMZBOCLSA-N 1 2 247.317 2.506 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1nn(C)c2ccccc12 ZINC001209577780 969561907 /nfs/dbraw/zinc/56/19/07/969561907.db2.gz VMYDYEDIYNISFB-GHMZBOCLSA-N 1 2 247.317 2.506 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754099 969602488 /nfs/dbraw/zinc/60/24/88/969602488.db2.gz WPIXYJDLRCBLOB-MRVPVSSYSA-N 1 2 235.718 2.811 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754099 969602493 /nfs/dbraw/zinc/60/24/93/969602493.db2.gz WPIXYJDLRCBLOB-MRVPVSSYSA-N 1 2 235.718 2.811 20 0 BFADLO C[N@H+](Cc1n[nH]c2ccc(Cl)cc21)C1CC1 ZINC001209750591 969603695 /nfs/dbraw/zinc/60/36/95/969603695.db2.gz JMZFVKUTHPWUNJ-UHFFFAOYSA-N 1 2 235.718 2.811 20 0 BFADLO C[N@@H+](Cc1n[nH]c2ccc(Cl)cc21)C1CC1 ZINC001209750591 969603699 /nfs/dbraw/zinc/60/36/99/969603699.db2.gz JMZFVKUTHPWUNJ-UHFFFAOYSA-N 1 2 235.718 2.811 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc2c(c1)NCCO2 ZINC001209792937 969626449 /nfs/dbraw/zinc/62/64/49/969626449.db2.gz ZXIRPWARWGUIOI-UHFFFAOYSA-N 1 2 241.294 2.938 20 0 BFADLO CSCc1ccc(NCCn2cccc2)[nH+]c1 ZINC001156302626 969627021 /nfs/dbraw/zinc/62/70/21/969627021.db2.gz FJCOCHPZUIRTHQ-UHFFFAOYSA-N 1 2 247.367 2.858 20 0 BFADLO Fc1cccc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209842665 969651935 /nfs/dbraw/zinc/65/19/35/969651935.db2.gz OJCQMWHMYLZLBM-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO COc1cc(C)c(Nc2cc(C)cc[nH+]2)cn1 ZINC001209867069 969672399 /nfs/dbraw/zinc/67/23/99/969672399.db2.gz OICSXLMIARGURS-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1nc(NC[C@@H](C)c2ccc(O)cc2)cc[nH+]1 ZINC001169539547 969737802 /nfs/dbraw/zinc/73/78/02/969737802.db2.gz NJSLKAGFGQYEDK-SNVBAGLBSA-N 1 2 243.310 2.706 20 0 BFADLO CCC/C=C/c1ccc([C@@H]([NH3+])C(=O)OC)cc1 ZINC001242255489 969739622 /nfs/dbraw/zinc/73/96/22/969739622.db2.gz MOTVXNCHSYCYBO-URWSZGRFSA-N 1 2 233.311 2.673 20 0 BFADLO Cc1c[nH+]c(Nc2ccc(F)cc2O)c(N)c1 ZINC001210017398 969760341 /nfs/dbraw/zinc/76/03/41/969760341.db2.gz ZEKLSOZEAXSSPP-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1cc(Nc2ccc(=O)[nH]c2)ccc1[NH+](C)C ZINC001210040491 969774234 /nfs/dbraw/zinc/77/42/34/969774234.db2.gz ZQJNNYIMLRFTEY-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc2cccnc2c1 ZINC001210054444 969776129 /nfs/dbraw/zinc/77/61/29/969776129.db2.gz GCDPSNHOTNEBNG-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO CCCC=CNc1ccc(N2CCOCC2)[nH+]c1 ZINC001210059133 969781505 /nfs/dbraw/zinc/78/15/05/969781505.db2.gz XSUVPBOYEVFFJN-QPJJXVBHSA-N 1 2 247.342 2.644 20 0 BFADLO Cc1cc2n[nH]cc2cc1-c1ccc[nH+]c1N ZINC001242283264 969842288 /nfs/dbraw/zinc/84/22/88/969842288.db2.gz MMUJKHAMTAFLMP-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CO[C@@H](C)CNc1cc2cc(F)ccc2c[nH+]1 ZINC001169773181 969848258 /nfs/dbraw/zinc/84/82/58/969848258.db2.gz QQGZPBDPLRKEJM-VIFPVBQESA-N 1 2 234.274 2.821 20 0 BFADLO Cc1ccnc(F)c1Nc1c[nH+]c(C)c(N)c1 ZINC001210287602 969850090 /nfs/dbraw/zinc/85/00/90/969850090.db2.gz XQPNIQRPXVAUTG-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1cc(F)nc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210287880 969855991 /nfs/dbraw/zinc/85/59/91/969855991.db2.gz FEHMAAICTPTUQT-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO CC(=O)c1sccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210289201 969856098 /nfs/dbraw/zinc/85/60/98/969856098.db2.gz YEESGRGWROCXPZ-UHFFFAOYSA-N 1 2 247.323 2.980 20 0 BFADLO Cc1cc(N)c(Nc2c[nH+]c(C)c(N)c2)cc1F ZINC001210288588 969857388 /nfs/dbraw/zinc/85/73/88/969857388.db2.gz TZACYWNMBCZENV-UHFFFAOYSA-N 1 2 246.289 2.746 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)ccc1CO ZINC001210290991 969860116 /nfs/dbraw/zinc/86/01/16/969860116.db2.gz IMDQMIAGAWPLDQ-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO CCc1ncccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001210463407 969894469 /nfs/dbraw/zinc/89/44/69/969894469.db2.gz ITPPNDQZYVBKGX-UHFFFAOYSA-N 1 2 242.326 2.849 20 0 BFADLO CC(C)n1nccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001210512395 969922809 /nfs/dbraw/zinc/92/28/09/969922809.db2.gz QDAOLHYOZLCSLV-UHFFFAOYSA-N 1 2 245.330 2.669 20 0 BFADLO Cc1oncc1Nc1c[nH+]c(C)cc1C ZINC001210583110 969943145 /nfs/dbraw/zinc/94/31/45/969943145.db2.gz BXZHSAOCFCUKIA-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cnoc1C ZINC001210583497 969960222 /nfs/dbraw/zinc/96/02/22/969960222.db2.gz IYMDJOIEMAANHV-UHFFFAOYSA-N 1 2 219.244 2.520 20 0 BFADLO CCCn1nccc1-c1cccc2[nH+]c(C)cn21 ZINC001242843705 970094694 /nfs/dbraw/zinc/09/46/94/970094694.db2.gz DGIBKVKYLRNHJG-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO COc1ccc(N)c(Nc2ccc(C)c[nH+]2)c1 ZINC001211013940 970115499 /nfs/dbraw/zinc/11/54/99/970115499.db2.gz NTGFBSVHNAQROX-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Clc1cc(Nc2ccncn2)cn2cc[nH+]c12 ZINC001211025906 970122120 /nfs/dbraw/zinc/12/21/20/970122120.db2.gz ZEVRWRFWMJKWQU-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc(CO)c1C ZINC001211161000 970162708 /nfs/dbraw/zinc/16/27/08/970162708.db2.gz LKUZQAJOKDVUJZ-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO CC(C)CCC[C@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001170076971 970174455 /nfs/dbraw/zinc/17/44/55/970174455.db2.gz CSGJKAPKUGIGQX-LBPRGKRZSA-N 1 2 248.361 2.742 20 0 BFADLO CC(C)CCC[C@H](C)[N@@H+]1CCNCC(F)(F)C1 ZINC001170076971 970174459 /nfs/dbraw/zinc/17/44/59/970174459.db2.gz CSGJKAPKUGIGQX-LBPRGKRZSA-N 1 2 248.361 2.742 20 0 BFADLO CC(C)CCC[C@H](C)[N@H+]1CCNCC(F)(F)C1 ZINC001170076971 970174467 /nfs/dbraw/zinc/17/44/67/970174467.db2.gz CSGJKAPKUGIGQX-LBPRGKRZSA-N 1 2 248.361 2.742 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)c(O)c1 ZINC001243047209 970205087 /nfs/dbraw/zinc/20/50/87/970205087.db2.gz FDOUKROHQJNSEP-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ccon2)cc1 ZINC001243068525 970261321 /nfs/dbraw/zinc/26/13/21/970261321.db2.gz BZFLYIDFKNPRAX-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cn1c[nH+]cc1-c1ccccc1-c1ncco1 ZINC001243069332 970262526 /nfs/dbraw/zinc/26/25/26/970262526.db2.gz QMBYJKKRPYRYSS-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cnns1 ZINC001213494842 970324546 /nfs/dbraw/zinc/32/45/46/970324546.db2.gz JEEQJCOHPNEONG-UHFFFAOYSA-N 1 2 232.312 2.863 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1ccnnc1 ZINC001213491231 970324674 /nfs/dbraw/zinc/32/46/74/970324674.db2.gz CXSMGDMKSIOBKP-UHFFFAOYSA-N 1 2 226.283 2.801 20 0 BFADLO Cc1cc(C)c(Nc2nccnc2C)c[nH+]1 ZINC001213505430 970325173 /nfs/dbraw/zinc/32/51/73/970325173.db2.gz FPVXWDMBMFVECQ-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO COC(=O)c1ccc(Nc2c[nH+]c(C)cc2C)o1 ZINC001213508307 970326624 /nfs/dbraw/zinc/32/66/24/970326624.db2.gz PIXGVEMNIZQGNY-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)cc2C)nc(C)n1 ZINC001213503434 970332494 /nfs/dbraw/zinc/33/24/94/970332494.db2.gz FUZTYPRHZGIVMI-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO Cc1cc(C)c(Nc2c3c(nn2C)CCC3)c[nH+]1 ZINC001213505334 970332885 /nfs/dbraw/zinc/33/28/85/970332885.db2.gz CASFTMNSOTXGGZ-UHFFFAOYSA-N 1 2 242.326 2.664 20 0 BFADLO COc1ccc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213521219 970337736 /nfs/dbraw/zinc/33/77/36/970337736.db2.gz ZOVDMAAYYHJCGP-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1cc(C)c(N2CCc3c2cccc3N)c[nH+]1 ZINC001213520973 970339298 /nfs/dbraw/zinc/33/92/98/970339298.db2.gz NDXMQOUCRXDRBH-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO COc1ncc(F)cc1Nc1c[nH+]cc(C)c1C ZINC001213527345 970345312 /nfs/dbraw/zinc/34/53/12/970345312.db2.gz HBFJPXLLWSRELK-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CCOc1cnc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213525404 970348266 /nfs/dbraw/zinc/34/82/66/970348266.db2.gz UUYINUPUFJWXBG-UHFFFAOYSA-N 1 2 244.298 2.631 20 0 BFADLO Cc1c[nH+]cc(Nc2cncnc2C)c1C ZINC001213524631 970349705 /nfs/dbraw/zinc/34/97/05/970349705.db2.gz ATJXVECUDFRFHB-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]cc(-n2cc(N)c3ncccc32)c1C ZINC001213525371 970350220 /nfs/dbraw/zinc/35/02/20/970350220.db2.gz SPQHSFPPBRQCGO-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO Cc1c[nH+]cc(Nc2ccnn2CCF)c1C ZINC001213528567 970353212 /nfs/dbraw/zinc/35/32/12/970353212.db2.gz GFACJJCROUMRLC-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO Cc1ccc(Nc2cccc3[nH+]ccn32)c(N)c1 ZINC001214176205 970447349 /nfs/dbraw/zinc/44/73/49/970447349.db2.gz XJKOXSDGDZUHFD-UHFFFAOYSA-N 1 2 238.294 2.969 20 0 BFADLO Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001255787765 970492437 /nfs/dbraw/zinc/49/24/37/970492437.db2.gz OMSBDAZSLYTDHK-BNOWGMLFSA-N 1 2 239.309 2.918 20 0 BFADLO Cc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](F)[C@@H](F)C2)cc1 ZINC001255787765 970492449 /nfs/dbraw/zinc/49/24/49/970492449.db2.gz OMSBDAZSLYTDHK-BNOWGMLFSA-N 1 2 239.309 2.918 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(O)cc2C)c(CO)c1 ZINC001214449003 970498884 /nfs/dbraw/zinc/49/88/84/970498884.db2.gz NQAAJWPMHQQCOP-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001255841043 970511322 /nfs/dbraw/zinc/51/13/22/970511322.db2.gz BDVLYHYNZHGMFZ-VXGBXAGGSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@H+]1CCC(=O)[C@H](C)C1 ZINC001255841043 970511326 /nfs/dbraw/zinc/51/13/26/970511326.db2.gz BDVLYHYNZHGMFZ-VXGBXAGGSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@H](Cc1ccccc1F)[NH+]1CC2(C1)CCCO2 ZINC001255844506 970517258 /nfs/dbraw/zinc/51/72/58/970517258.db2.gz DTQPCOZXIFEGTJ-GFCCVEGCSA-N 1 2 249.329 2.622 20 0 BFADLO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401883718 970745143 /nfs/dbraw/zinc/74/51/43/970745143.db2.gz CVXAOGRICWSYQI-KOLCDFICSA-N 1 2 241.285 2.565 20 0 BFADLO C[C@@H]1CC(OCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC001222594286 972594937 /nfs/dbraw/zinc/59/49/37/972594937.db2.gz DIEUYTANSJIFQD-QWRGUYRKSA-N 1 2 222.332 2.761 20 0 BFADLO Cn1c[nH+]cc1CO[C@@H]1CCc2cc(F)ccc21 ZINC001222600447 972598111 /nfs/dbraw/zinc/59/81/11/972598111.db2.gz POKJDLNDSQNYJI-CQSZACIVSA-N 1 2 246.285 2.763 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@H]2C=CCCCCC2)no1 ZINC001327811733 972743171 /nfs/dbraw/zinc/74/31/71/972743171.db2.gz QMLQJHGZDDKOMR-PWSUYJOCSA-N 1 2 235.331 2.918 20 0 BFADLO FC1(F)[C@@H]2CC[C@@H](Nc3cccc[nH+]3)C[C@@H]21 ZINC001328039442 972859584 /nfs/dbraw/zinc/85/95/84/972859584.db2.gz PAKXNVLSNWWDRO-BBBLOLIVSA-N 1 2 224.254 2.927 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc3scnc3c2)CCO1 ZINC001144732939 972969576 /nfs/dbraw/zinc/96/95/76/972969576.db2.gz RPPLILZZYYHMHO-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc3scnc3c2)CCO1 ZINC001144732939 972969592 /nfs/dbraw/zinc/96/95/92/972969592.db2.gz RPPLILZZYYHMHO-SNVBAGLBSA-N 1 2 248.351 2.517 20 0 BFADLO COC1(C)C[NH+](Cc2ccc3scnc3c2)C1 ZINC001144733103 972972876 /nfs/dbraw/zinc/97/28/76/972972876.db2.gz XJNWBVFNENBCFN-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO Cc1cc(COC[C@H]2CCCCO2)cc(C)[nH+]1 ZINC001223421730 973058167 /nfs/dbraw/zinc/05/81/67/973058167.db2.gz QHFYDQBLQGENKE-CQSZACIVSA-N 1 2 235.327 2.784 20 0 BFADLO CC[C@H](COCc1cc(C)[nH+]c(C)c1)OC ZINC001223425798 973065536 /nfs/dbraw/zinc/06/55/36/973065536.db2.gz VGPDXGPJZVYWAM-CYBMUJFWSA-N 1 2 223.316 2.640 20 0 BFADLO C[C@@H](C(=O)N1CCCCCCCC1)n1cc[nH+]c1 ZINC001328618228 973205148 /nfs/dbraw/zinc/20/51/48/973205148.db2.gz DVJUSELBINYHAH-ZDUSSCGKSA-N 1 2 249.358 2.627 20 0 BFADLO CC[NH+]1CC(OCc2cc3ccccc3o2)C1 ZINC001223649639 973217906 /nfs/dbraw/zinc/21/79/06/973217906.db2.gz UEBWXRCRDBXYQA-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO CCC(C)(C)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001329320355 973672264 /nfs/dbraw/zinc/67/22/64/973672264.db2.gz PLZJDFASLWDKCE-VIFPVBQESA-N 1 2 234.303 2.563 20 0 BFADLO CC(C)c1ccccc1C[NH2+]Cc1csnn1 ZINC001329718311 973898757 /nfs/dbraw/zinc/89/87/57/973898757.db2.gz ZSCWESPLDMPYLU-UHFFFAOYSA-N 1 2 247.367 2.951 20 0 BFADLO C=Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247512630 973973799 /nfs/dbraw/zinc/97/37/99/973973799.db2.gz STPZSSDJJWGZIK-UHFFFAOYSA-N 1 2 238.250 2.565 20 0 BFADLO CC(=O)CC(C)(C)Nc1ccc2[nH+]cn(C)c2c1 ZINC001171498758 974081172 /nfs/dbraw/zinc/08/11/72/974081172.db2.gz MZPIMUOBBQLJIV-UHFFFAOYSA-N 1 2 245.326 2.743 20 0 BFADLO CC(=O)CC(C)(C)Nc1c[nH+]ccc1C ZINC001171498767 974081762 /nfs/dbraw/zinc/08/17/62/974081762.db2.gz NGLUMVUPGRIELU-UHFFFAOYSA-N 1 2 206.289 2.560 20 0 BFADLO CC(=O)CC(C)(C)Nc1c[nH+]c(C)c(C)c1 ZINC001171499566 974082379 /nfs/dbraw/zinc/08/23/79/974082379.db2.gz RPGPXHXHYOQCEI-UHFFFAOYSA-N 1 2 220.316 2.868 20 0 BFADLO Cc1nc(NC(C)(C)c2ccncc2)cc[nH+]1 ZINC001171514602 974090349 /nfs/dbraw/zinc/09/03/49/974090349.db2.gz PDPQTZOFNPUCII-UHFFFAOYSA-N 1 2 228.299 2.527 20 0 BFADLO Cc1cc(N2CC[C@@H](O)[C@H]2C)[nH+]c2ccccc12 ZINC001330599536 974345071 /nfs/dbraw/zinc/34/50/71/974345071.db2.gz XGFZAORYUQVPJK-BXUZGUMPSA-N 1 2 242.322 2.503 20 0 BFADLO c1cnc2c(c1)CCC[C@H]2Oc1cc[nH+]cc1 ZINC001225288723 974356319 /nfs/dbraw/zinc/35/63/19/974356319.db2.gz ALCQCUALRAPORV-CYBMUJFWSA-N 1 2 226.279 2.933 20 0 BFADLO C[C@@H](COc1ccccc1)Oc1cc[nH+]cc1 ZINC001225290623 974361034 /nfs/dbraw/zinc/36/10/34/974361034.db2.gz DBEVHZQCPKUSQP-LBPRGKRZSA-N 1 2 229.279 2.928 20 0 BFADLO CC(C)Oc1cncc(COc2cc[nH+]cc2)c1 ZINC001225296214 974373524 /nfs/dbraw/zinc/37/35/24/974373524.db2.gz RCXCQCCGOURRBB-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO C[C@@H]([NH2+]Cc1cccn1C1CC1)c1csnn1 ZINC001330841388 974496835 /nfs/dbraw/zinc/49/68/35/974496835.db2.gz NVARMEBESVZDFE-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO CC(C)[NH+]1CC(Oc2ccc(Cl)cc2F)C1 ZINC001225713591 974655169 /nfs/dbraw/zinc/65/51/69/974655169.db2.gz RQKAGHRPVIDUDN-UHFFFAOYSA-N 1 2 243.709 2.951 20 0 BFADLO Cc1cc(CNC(=O)C2(C3CC3)CC2)cc(C)[nH+]1 ZINC001331422927 974715756 /nfs/dbraw/zinc/71/57/56/974715756.db2.gz UGMOZBHZIWRJMZ-UHFFFAOYSA-N 1 2 244.338 2.505 20 0 BFADLO CC[C@@H](CC(C)C)[N@@H+]1CCOCC(F)(F)C1 ZINC001172395873 974751373 /nfs/dbraw/zinc/75/13/73/974751373.db2.gz IWYKVRLVTHXLHB-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@@H](CC(C)C)[N@H+]1CCOCC(F)(F)C1 ZINC001172395873 974751378 /nfs/dbraw/zinc/75/13/78/974751378.db2.gz IWYKVRLVTHXLHB-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[C@@H](C)[N@H+](C)CC(F)F ZINC001172481356 974782087 /nfs/dbraw/zinc/78/20/87/974782087.db2.gz QSFLLLUTUDBRTL-SNVBAGLBSA-N 1 2 223.307 2.635 20 0 BFADLO CC(C)COCC[C@@H](C)[N@@H+](C)CC(F)F ZINC001172481356 974782092 /nfs/dbraw/zinc/78/20/92/974782092.db2.gz QSFLLLUTUDBRTL-SNVBAGLBSA-N 1 2 223.307 2.635 20 0 BFADLO C[NH+](C)Cc1nnc(C2CCCCCCC2)o1 ZINC001331890445 974851535 /nfs/dbraw/zinc/85/15/35/974851535.db2.gz OGOYKTGLUSNMPO-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO FC1(F)C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172706410 974924651 /nfs/dbraw/zinc/92/46/51/974924651.db2.gz GUIHGYWENNLJAW-WDEREUQCSA-N 1 2 243.684 2.804 20 0 BFADLO CC[C@H]1CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001173273716 975152428 /nfs/dbraw/zinc/15/24/28/975152428.db2.gz OHVZLZVSPKALSF-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@H]1CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001173273716 975152432 /nfs/dbraw/zinc/15/24/32/975152432.db2.gz OHVZLZVSPKALSF-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1nocc1Nc1cccc(-n2cc[nH+]c2)c1 ZINC001212721806 975290856 /nfs/dbraw/zinc/29/08/56/975290856.db2.gz PKMXBIYUCINFDH-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO Cc1cc(CO)cc(Nc2[nH+]c(C)ccc2O)c1 ZINC001212752470 975522222 /nfs/dbraw/zinc/52/22/22/975522222.db2.gz PTCOAJUXJCMKJW-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO CCCCOc1ccc(OC2C[NH+](C)C2)cc1 ZINC001227575467 975565971 /nfs/dbraw/zinc/56/59/71/975565971.db2.gz GBFDOLMJRXHACR-UHFFFAOYSA-N 1 2 235.327 2.558 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(F)cc2)[nH+]1 ZINC001173798244 975646007 /nfs/dbraw/zinc/64/60/07/975646007.db2.gz MGWNOHZBXJVQJA-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2CF)o1 ZINC001333325426 975665011 /nfs/dbraw/zinc/66/50/11/975665011.db2.gz AGZSVXZQTDUOGP-VIFPVBQESA-N 1 2 249.289 2.698 20 0 BFADLO Cc1cccc(Nc2[nH+]cccc2CCO)c1 ZINC001173807750 975706835 /nfs/dbraw/zinc/70/68/35/975706835.db2.gz COFYGECCZYIBTI-UHFFFAOYSA-N 1 2 228.295 2.668 20 0 BFADLO COc1ccccc1Nc1ccc(N(C)C)[nH+]c1 ZINC001173839121 975872350 /nfs/dbraw/zinc/87/23/50/975872350.db2.gz LIHJISRUUJAWRG-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO COc1cc2c(cc1OC1CCC1)C=[NH+]CC2 ZINC001228091333 975900688 /nfs/dbraw/zinc/90/06/88/975900688.db2.gz TXNXALRPIKMTSK-UHFFFAOYSA-N 1 2 231.295 2.602 20 0 BFADLO Cc1ccc(C(C)(C)C)c(OC2C[NH+](C)C2)c1 ZINC001228193311 975982634 /nfs/dbraw/zinc/98/26/34/975982634.db2.gz SYJLBXILURLDIK-UHFFFAOYSA-N 1 2 233.355 2.985 20 0 BFADLO COc1ccc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001173958115 975999299 /nfs/dbraw/zinc/99/92/99/975999299.db2.gz YKIUFLZTEKNEIP-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO CC[C@@](C)(O)CNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001333694801 976003973 /nfs/dbraw/zinc/00/39/73/976003973.db2.gz NAOZMZSVZGHKFF-CQSZACIVSA-N 1 2 249.358 2.625 20 0 BFADLO Cc1cccc([N@H+]2C(=N)C=CC(Cl)=C2N)c1C ZINC001173951901 976109815 /nfs/dbraw/zinc/10/98/15/976109815.db2.gz JPFGLGQYIVRAMP-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1cccc([N@@H+]2C(=N)C=CC(Cl)=C2N)c1C ZINC001173951901 976109823 /nfs/dbraw/zinc/10/98/23/976109823.db2.gz JPFGLGQYIVRAMP-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO COc1cc[nH+]c(Nc2cc(F)ccc2OC)c1 ZINC001173953851 976115745 /nfs/dbraw/zinc/11/57/45/976115745.db2.gz XTPMGUGJHGNWIZ-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1cccc(Nc2[nH+]cccc2CCO)c1C ZINC001173953443 976116459 /nfs/dbraw/zinc/11/64/59/976116459.db2.gz BSUSHSBGGHHYAJ-UHFFFAOYSA-N 1 2 242.322 2.977 20 0 BFADLO Cc1[nH]c2ccc(OCCOC(C)C)cc2[nH+]1 ZINC001228327230 976124656 /nfs/dbraw/zinc/12/46/56/976124656.db2.gz PMJWCRALBBMYTC-UHFFFAOYSA-N 1 2 234.299 2.675 20 0 BFADLO Cc1ccc(OC2C[NH+](C(C)C)C2)c(F)c1 ZINC001228380227 976167646 /nfs/dbraw/zinc/16/76/46/976167646.db2.gz BIDUSHZGKBKAQN-UHFFFAOYSA-N 1 2 223.291 2.606 20 0 BFADLO CC[NH+]1CC(Oc2c(C)cc(C)cc2C)C1 ZINC001228404549 976189603 /nfs/dbraw/zinc/18/96/03/976189603.db2.gz AMCGXEPFJXKWKA-UHFFFAOYSA-N 1 2 219.328 2.695 20 0 BFADLO COc1ccc(N(C)c2[nH+]cccc2N)c(C)c1 ZINC001174022890 976226405 /nfs/dbraw/zinc/22/64/05/976226405.db2.gz WOZYFAODSFIDPJ-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO CCOc1ncccc1C[NH2+]Cc1cc(C)co1 ZINC001334031197 976230737 /nfs/dbraw/zinc/23/07/37/976230737.db2.gz DAUNQNGUCCNITP-UHFFFAOYSA-N 1 2 246.310 2.672 20 0 BFADLO CC[NH+]1CC(Oc2nccc3cc(C)ccc32)C1 ZINC001228635998 976392587 /nfs/dbraw/zinc/39/25/87/976392587.db2.gz GWTWTPKJYLYSTB-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO Cc1n[nH]c(C)c1Nc1[nH+]c(C)ccc1C ZINC001174215022 976401706 /nfs/dbraw/zinc/40/17/06/976401706.db2.gz BOLGNHJGSBNUMO-UHFFFAOYSA-N 1 2 216.288 2.782 20 0 BFADLO CCCn1cc(Nc2c[nH+]ccc2OCC)cn1 ZINC001174218328 976411204 /nfs/dbraw/zinc/41/12/04/976411204.db2.gz SGHCRDJCBQHWSZ-UHFFFAOYSA-N 1 2 246.314 2.830 20 0 BFADLO CCCn1cc(Nc2ccn3cc[nH+]c3c2)cn1 ZINC001174218843 976412982 /nfs/dbraw/zinc/41/29/82/976412982.db2.gz JEZVCQBJVVSODP-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO Cc1nn(C)c(C)c1Nc1c[nH+]c(C)cc1C ZINC001174225517 976420076 /nfs/dbraw/zinc/42/00/76/976420076.db2.gz IGBPZXJRRVNUOT-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO Fc1cncc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001174290857 976457858 /nfs/dbraw/zinc/45/78/58/976457858.db2.gz KZHCYGQNQDRKSF-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO COc1cc(Nc2cc(C)[nH+]c(OC)c2)ccn1 ZINC001174306006 976517199 /nfs/dbraw/zinc/51/71/99/976517199.db2.gz UFGPYIHRHCAORH-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnn(C)c1C ZINC001174391306 976578742 /nfs/dbraw/zinc/57/87/42/976578742.db2.gz IPMKNURFHNSCAB-UHFFFAOYSA-N 1 2 230.315 2.738 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc2[nH]ccc2c1 ZINC001174395770 976585589 /nfs/dbraw/zinc/58/55/89/976585589.db2.gz PLBZUANBZJSLSI-UHFFFAOYSA-N 1 2 240.266 2.662 20 0 BFADLO Cc1cccc(Nc2ccc(N)cc2F)[nH+]1 ZINC001174480000 976801460 /nfs/dbraw/zinc/80/14/60/976801460.db2.gz LOIPBBYIBDQDAF-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO COc1cc(Nc2ccc(C)c[nH+]2)ccc1O ZINC001174538836 976829442 /nfs/dbraw/zinc/82/94/42/976829442.db2.gz TVCKTZOWTXLPDJ-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CC(C)[NH+]1CC(Oc2cc(Cl)ccc2O)C1 ZINC001229545863 976894986 /nfs/dbraw/zinc/89/49/86/976894986.db2.gz XIKAPNLNXOFNPT-UHFFFAOYSA-N 1 2 241.718 2.517 20 0 BFADLO Cc1cc(S)ccc1O[C@H](C)C[NH+](C)C ZINC001229633844 976920562 /nfs/dbraw/zinc/92/05/62/976920562.db2.gz AUXMIXLQBMVVFB-SNVBAGLBSA-N 1 2 225.357 2.613 20 0 BFADLO C=CC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001335301628 976941314 /nfs/dbraw/zinc/94/13/14/976941314.db2.gz WJCHSLNMLHLWAX-UHFFFAOYSA-N 1 2 247.685 2.650 20 0 BFADLO CCN(C)c1ccc(Nc2cncc(C)c2)c[nH+]1 ZINC001174756948 977065649 /nfs/dbraw/zinc/06/56/49/977065649.db2.gz ZZDOHIBNDODUAY-UHFFFAOYSA-N 1 2 242.326 2.985 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cccc(O)c1 ZINC001174888582 977122532 /nfs/dbraw/zinc/12/25/32/977122532.db2.gz SGKHWGSUMMUWCH-UHFFFAOYSA-N 1 2 230.267 2.930 20 0 BFADLO CCN(C)c1ccc(Nc2cccc(O)c2)c[nH+]1 ZINC001174889207 977122826 /nfs/dbraw/zinc/12/28/26/977122826.db2.gz LJCBORTXLVIBOR-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO COCc1ccc(Nc2[nH+]c(C)ccc2O)cc1 ZINC001174917984 977166051 /nfs/dbraw/zinc/16/60/51/977166051.db2.gz PVDROLFWVANOBQ-UHFFFAOYSA-N 1 2 244.294 2.986 20 0 BFADLO Cc1ccc(Nc2[nH+]cccc2N(C)C)cc1N ZINC001174935658 977177679 /nfs/dbraw/zinc/17/76/79/977177679.db2.gz WCZCKCUNWVLVPU-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO COc1cc(N(C)c2[nH+]cccc2N)ccc1C ZINC001175014224 977210706 /nfs/dbraw/zinc/21/07/06/977210706.db2.gz WMMBFRUENQDDCG-UHFFFAOYSA-N 1 2 243.310 2.749 20 0 BFADLO CN(C)c1ccc(Nc2c(O)cccc2F)c[nH+]1 ZINC001175343139 977365887 /nfs/dbraw/zinc/36/58/87/977365887.db2.gz YHGMJRZPCPZWRM-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO C[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C1CC1 ZINC001230914124 977380890 /nfs/dbraw/zinc/38/08/90/977380890.db2.gz GCOWFXIAHDBPAO-SECBINFHSA-N 1 2 231.295 2.545 20 0 BFADLO C[C@@H]1CC[C@@H](Oc2cc3c(cc2O)C=[NH+]CC3)C1 ZINC001230920478 977384139 /nfs/dbraw/zinc/38/41/39/977384139.db2.gz NPERJQKKOLVWQC-ZWNOBZJWSA-N 1 2 245.322 2.935 20 0 BFADLO CCC[C@@H](C)Oc1cc2c(cc1O)C=[NH+]CC2 ZINC001230920932 977385450 /nfs/dbraw/zinc/38/54/50/977385450.db2.gz YEKIUDBIOOHLSX-SNVBAGLBSA-N 1 2 233.311 2.935 20 0 BFADLO COc1ncc(Nc2ccc(C)[nH+]c2C)s1 ZINC001175387378 977405381 /nfs/dbraw/zinc/40/53/81/977405381.db2.gz RYUYWPWKZDOAPD-UHFFFAOYSA-N 1 2 235.312 2.907 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc([S@@](C)=O)cc1 ZINC001175471110 977440103 /nfs/dbraw/zinc/44/01/03/977440103.db2.gz OCRNXQSGKPXPAP-QGZVFWFLSA-N 1 2 246.335 2.871 20 0 BFADLO Cc1cccc(Nc2ccc([S@@](C)=O)cc2)[nH+]1 ZINC001175470418 977440534 /nfs/dbraw/zinc/44/05/34/977440534.db2.gz CQYBADHIDDVFFL-QGZVFWFLSA-N 1 2 246.335 2.871 20 0 BFADLO Cc1ccc(Nc2cncs2)c(C)[nH+]1 ZINC001175496148 977450973 /nfs/dbraw/zinc/45/09/73/977450973.db2.gz UMPKLHITDMGXTM-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(CC)s2)C1 ZINC001231501343 977620579 /nfs/dbraw/zinc/62/05/79/977620579.db2.gz GYQDWGDUMWLXLN-UHFFFAOYSA-N 1 2 239.384 2.921 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1CCC[C@@H](F)C1 ZINC001231603836 977647697 /nfs/dbraw/zinc/64/76/97/977647697.db2.gz PLCNSWDFBYJBHZ-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1CCC[C@@H](F)C1 ZINC001231603836 977647710 /nfs/dbraw/zinc/64/77/10/977647710.db2.gz PLCNSWDFBYJBHZ-GFCCVEGCSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)ccc1C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001231603057 977649995 /nfs/dbraw/zinc/64/99/95/977649995.db2.gz WHNHHWXUGYKHJL-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO COc1cc(F)ccc1C[N@H+]1C[C@@H](F)C[C@H]1C ZINC001231603057 977649998 /nfs/dbraw/zinc/64/99/98/977649998.db2.gz WHNHHWXUGYKHJL-SKDRFNHKSA-N 1 2 241.281 2.767 20 0 BFADLO CSc1ccccc1C[NH+]1CC2(C1)CCCO2 ZINC001231782998 977748564 /nfs/dbraw/zinc/74/85/64/977748564.db2.gz SFXYZGONMXDCJY-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CC[C@@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001336543434 977762490 /nfs/dbraw/zinc/76/24/90/977762490.db2.gz MORWMRYJVSCAHH-SNVBAGLBSA-N 1 2 208.280 2.765 20 0 BFADLO Cc1cc(F)cc(N2CC[C@@H](C)[C@@H]2C)[nH+]1 ZINC001336543530 977764050 /nfs/dbraw/zinc/76/40/50/977764050.db2.gz LZMVDQJJWNPDJU-SCZZXKLOSA-N 1 2 208.280 2.764 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C)[C@H]2C)[nH+]1 ZINC001336543532 977764280 /nfs/dbraw/zinc/76/42/80/977764280.db2.gz LZMVDQJJWNPDJU-WCBMZHEXSA-N 1 2 208.280 2.764 20 0 BFADLO CC(C)c1ccccc1C[NH+]1CC(N(C)C)C1 ZINC001231874395 977778403 /nfs/dbraw/zinc/77/84/03/977778403.db2.gz PGPLRUJFRORCMD-UHFFFAOYSA-N 1 2 232.371 2.556 20 0 BFADLO FC(F)(F)c1c[nH+]ccc1Nc1cscn1 ZINC001175938558 977797795 /nfs/dbraw/zinc/79/77/95/977797795.db2.gz XXCXVUHXOVYLEV-UHFFFAOYSA-N 1 2 245.229 2.722 20 0 BFADLO CCc1ccc(N2CCC(F)(F)CC2)[nH+]c1 ZINC001336613571 977813309 /nfs/dbraw/zinc/81/33/09/977813309.db2.gz IEZSYAMOJDZMFI-UHFFFAOYSA-N 1 2 226.270 2.880 20 0 BFADLO CSCC[N@H+](C)Cc1cc(Cl)cnc1F ZINC001231996076 977828324 /nfs/dbraw/zinc/82/83/24/977828324.db2.gz CHNYVVCLMCKUBB-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CSCC[N@@H+](C)Cc1cc(Cl)cnc1F ZINC001231996076 977828327 /nfs/dbraw/zinc/82/83/27/977828327.db2.gz CHNYVVCLMCKUBB-UHFFFAOYSA-N 1 2 248.754 2.669 20 0 BFADLO CCC[N@H+](C)Cc1c(Cl)nccc1OC ZINC001232151176 977898244 /nfs/dbraw/zinc/89/82/44/977898244.db2.gz FAQQRTFFNJLWOS-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO CCC[N@@H+](C)Cc1c(Cl)nccc1OC ZINC001232151176 977898245 /nfs/dbraw/zinc/89/82/45/977898245.db2.gz FAQQRTFFNJLWOS-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO Cc1scnc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001232210281 977923320 /nfs/dbraw/zinc/92/33/20/977923320.db2.gz LYWGDNOUMZKTCR-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO Cc1scnc1C[N@H+]1CCCC[C@H](F)C1 ZINC001232210281 977923335 /nfs/dbraw/zinc/92/33/35/977923335.db2.gz LYWGDNOUMZKTCR-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cc(C)n1 ZINC001176119567 977948680 /nfs/dbraw/zinc/94/86/80/977948680.db2.gz URGPCTZAUFGDFJ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(C)cs1 ZINC001176119171 977949410 /nfs/dbraw/zinc/94/94/10/977949410.db2.gz MGRHGOKQIKXEHC-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(F)nc1F ZINC001176119374 977951999 /nfs/dbraw/zinc/95/19/99/977951999.db2.gz QMKWWVHMBTVVOT-UHFFFAOYSA-N 1 2 237.209 2.507 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1N(C)C ZINC001176121541 977955649 /nfs/dbraw/zinc/95/56/49/977955649.db2.gz XHLKYGFAIRJCOG-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)c(CO)c1 ZINC001176123153 977956356 /nfs/dbraw/zinc/95/63/56/977956356.db2.gz KJEWVBLOIDCKJY-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO COc1cc(Nc2c[nH+]ccc2OC)c(C)cn1 ZINC001176122028 977959155 /nfs/dbraw/zinc/95/91/55/977959155.db2.gz ZTPKMASWWDTDGN-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO Cc1cc(C)c(Nc2ccc(=O)[nH]c2)c[nH+]1 ZINC001176126270 977960954 /nfs/dbraw/zinc/96/09/54/977960954.db2.gz DKYMULVBASLQHZ-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCc1ccc(N)c(Nc2c[nH+]ccc2OC)c1 ZINC001176125188 977962845 /nfs/dbraw/zinc/96/28/45/977962845.db2.gz ZQBOOKGTMCOFCO-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO CSc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001232324394 978006200 /nfs/dbraw/zinc/00/62/00/978006200.db2.gz IRWIRXWUSXZUJV-KOLCDFICSA-N 1 2 240.347 2.736 20 0 BFADLO CSc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2C)cn1 ZINC001232324394 978006207 /nfs/dbraw/zinc/00/62/07/978006207.db2.gz IRWIRXWUSXZUJV-KOLCDFICSA-N 1 2 240.347 2.736 20 0 BFADLO c1ccc(N[C@H]2CCOCC23CCCC3)[nH+]c1 ZINC001336870003 978015852 /nfs/dbraw/zinc/01/58/52/978015852.db2.gz ZMJKVIFLJUPBHQ-LBPRGKRZSA-N 1 2 232.327 2.843 20 0 BFADLO Cc1cc(C)c(Nc2csc(CO)c2)c[nH+]1 ZINC001176366687 978053224 /nfs/dbraw/zinc/05/32/24/978053224.db2.gz YGSPQEJYARLBIZ-UHFFFAOYSA-N 1 2 234.324 2.996 20 0 BFADLO Cc1cc(C[N@@H+](CCC(C)C)C2CC2)n[nH]1 ZINC001336942577 978072312 /nfs/dbraw/zinc/07/23/12/978072312.db2.gz DXLIBQMHGRHBRT-UHFFFAOYSA-N 1 2 221.348 2.729 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1[nH]nc2c1CCC2 ZINC001232429622 978073454 /nfs/dbraw/zinc/07/34/54/978073454.db2.gz WANLQCDKKXLWAG-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1[nH]nc2c1CCC2 ZINC001232429622 978073464 /nfs/dbraw/zinc/07/34/64/978073464.db2.gz WANLQCDKKXLWAG-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO Cc1[nH]c(CN2CCC[C@@H]2c2nccs2)c[nH+]1 ZINC001232463909 978112446 /nfs/dbraw/zinc/11/24/46/978112446.db2.gz OPZLUCBPGUOXMJ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1[nH]cc(CN2CCC[C@@H]2c2nccs2)[nH+]1 ZINC001232463909 978112449 /nfs/dbraw/zinc/11/24/49/978112449.db2.gz OPZLUCBPGUOXMJ-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO CCc1csc(C[NH+]2CCC(F)(F)CC2)n1 ZINC001232469299 978120790 /nfs/dbraw/zinc/12/07/90/978120790.db2.gz JLESPAOTIJIWIV-UHFFFAOYSA-N 1 2 246.326 2.937 20 0 BFADLO CCc1csc(C[NH+]2CC3(CCC3)C2)n1 ZINC001232473183 978124807 /nfs/dbraw/zinc/12/48/07/978124807.db2.gz ZPYMMKQMUDDROQ-UHFFFAOYSA-N 1 2 222.357 2.691 20 0 BFADLO Fc1ccnc(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001232489562 978138850 /nfs/dbraw/zinc/13/88/50/978138850.db2.gz AFDCBBYPIOAFHY-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccnc(C[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001232489562 978138855 /nfs/dbraw/zinc/13/88/55/978138855.db2.gz AFDCBBYPIOAFHY-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO CCc1ccc(N2CCC3(C2)CCOCC3)[nH+]c1 ZINC001337056952 978147133 /nfs/dbraw/zinc/14/71/33/978147133.db2.gz HCURHJCLFBYSRT-UHFFFAOYSA-N 1 2 246.354 2.651 20 0 BFADLO Fc1ccnc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC001232498804 978153799 /nfs/dbraw/zinc/15/37/99/978153799.db2.gz LMODVELBQTUOLG-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO Fc1ccnc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001232498804 978153805 /nfs/dbraw/zinc/15/38/05/978153805.db2.gz LMODVELBQTUOLG-UHFFFAOYSA-N 1 2 246.285 2.978 20 0 BFADLO CCc1ccc(N2CC[C@H](C3CC3)C2)[nH+]c1 ZINC001337092958 978161099 /nfs/dbraw/zinc/16/10/99/978161099.db2.gz VAAWZSBKWSIDGL-ZDUSSCGKSA-N 1 2 216.328 2.880 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2cccc(CF)n2)C[C@H]1F ZINC001232534391 978161133 /nfs/dbraw/zinc/16/11/33/978161133.db2.gz CHWMLWGQZZNFRZ-ZWNOBZJWSA-N 1 2 240.297 2.731 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2cccc(CF)n2)C[C@H]1F ZINC001232534391 978161139 /nfs/dbraw/zinc/16/11/39/978161139.db2.gz CHWMLWGQZZNFRZ-ZWNOBZJWSA-N 1 2 240.297 2.731 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)CC1CCC1 ZINC001176771432 978181112 /nfs/dbraw/zinc/18/11/12/978181112.db2.gz MDUHTRBSTUYEAQ-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)CC1CCC1 ZINC001176771432 978181119 /nfs/dbraw/zinc/18/11/19/978181119.db2.gz MDUHTRBSTUYEAQ-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO c1cc2ccc(C[NH+]3CCOCC3)cc2s1 ZINC001232610747 978193907 /nfs/dbraw/zinc/19/39/07/978193907.db2.gz XDLRTBYOWXQBCJ-UHFFFAOYSA-N 1 2 233.336 2.734 20 0 BFADLO CCc1ccc(N2CC[C@H]3CSC[C@H]3C2)[nH+]c1 ZINC001337241158 978239293 /nfs/dbraw/zinc/23/92/93/978239293.db2.gz ZHTQCFWVHSEZLX-QWHCGFSZSA-N 1 2 248.395 2.833 20 0 BFADLO CCc1ccc(N2CC[C@@H]3CSC[C@H]3C2)[nH+]c1 ZINC001337241153 978242354 /nfs/dbraw/zinc/24/23/54/978242354.db2.gz ZHTQCFWVHSEZLX-CHWSQXEVSA-N 1 2 248.395 2.833 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968008 978370152 /nfs/dbraw/zinc/37/01/52/978370152.db2.gz DWRTYNGUZCEGKQ-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232968008 978370165 /nfs/dbraw/zinc/37/01/65/978370165.db2.gz DWRTYNGUZCEGKQ-SECBINFHSA-N 1 2 241.281 2.902 20 0 BFADLO Oc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc(F)c1F ZINC001232973439 978375647 /nfs/dbraw/zinc/37/56/47/978375647.db2.gz YCIJPRVXRMHQLY-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc(F)c1F ZINC001232973439 978375663 /nfs/dbraw/zinc/37/56/63/978375663.db2.gz YCIJPRVXRMHQLY-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO CCC[N@H+](CC)Cc1cc(Cl)ncc1O ZINC001233033426 978421365 /nfs/dbraw/zinc/42/13/65/978421365.db2.gz NJZGBGOJJWOLDR-UHFFFAOYSA-N 1 2 228.723 2.673 20 0 BFADLO CCC[N@@H+](CC)Cc1cc(Cl)ncc1O ZINC001233033426 978421369 /nfs/dbraw/zinc/42/13/69/978421369.db2.gz NJZGBGOJJWOLDR-UHFFFAOYSA-N 1 2 228.723 2.673 20 0 BFADLO CCCC(C)=CC(=O)Nc1c(C)c[nH+]cc1C ZINC001337640579 978439492 /nfs/dbraw/zinc/43/94/92/978439492.db2.gz RWBSJPBVNSZPHB-YFHOEESVSA-N 1 2 232.327 2.805 20 0 BFADLO CCc1cc(C[NH2+]Cc2ccccc2OC)on1 ZINC001177913423 978471662 /nfs/dbraw/zinc/47/16/62/978471662.db2.gz ZKHDNXNPPNCBLO-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO Cc1cc(F)cc(N2CC[C@H](C)[C@H](F)C2)[nH+]1 ZINC001337818705 978512625 /nfs/dbraw/zinc/51/26/25/978512625.db2.gz DMDSDGBIFDDDLJ-GZMMTYOYSA-N 1 2 226.270 2.713 20 0 BFADLO Cc1cc(F)cc(N2CCC[C@H]2C2CC2)[nH+]1 ZINC001337836613 978520990 /nfs/dbraw/zinc/52/09/90/978520990.db2.gz DHSJSQKPRRXOQY-LBPRGKRZSA-N 1 2 220.291 2.908 20 0 BFADLO CCc1cc(CNc2ccc(CC)c[nH+]2)n[nH]1 ZINC001337865898 978536099 /nfs/dbraw/zinc/53/60/99/978536099.db2.gz ROJAZCQLPVTINQ-UHFFFAOYSA-N 1 2 230.315 2.542 20 0 BFADLO c1cn2cc(Cc3ccccc3)ccc2[nH+]1 ZINC001249865497 978553260 /nfs/dbraw/zinc/55/32/60/978553260.db2.gz TUVMKBSNHHFXFR-UHFFFAOYSA-N 1 2 208.264 2.925 20 0 BFADLO CCc1ccc(N(C)Cc2ccc(C)cn2)[nH+]c1 ZINC001337958421 978577324 /nfs/dbraw/zinc/57/73/24/978577324.db2.gz NZUSDQNRERCDPM-UHFFFAOYSA-N 1 2 241.338 2.984 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)c2cccs2)[nH+]1 ZINC001179087621 978668033 /nfs/dbraw/zinc/66/80/33/978668033.db2.gz DEEALYLMQWUCMB-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)c2cccs2)c[nH+]1 ZINC001179087621 978668039 /nfs/dbraw/zinc/66/80/39/978668039.db2.gz DEEALYLMQWUCMB-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO c1cc(C[NH2+]Cc2noc3ccccc23)sn1 ZINC001179570911 978714705 /nfs/dbraw/zinc/71/47/05/978714705.db2.gz QMHLTYIDXMCBGJ-UHFFFAOYSA-N 1 2 245.307 2.574 20 0 BFADLO CCCn1c[nH+]cc1CN(CC(F)F)C1CC1 ZINC001180262362 978852813 /nfs/dbraw/zinc/85/28/13/978852813.db2.gz SBWGEFKHSUIOGN-UHFFFAOYSA-N 1 2 243.301 2.523 20 0 BFADLO CC(C)CCc1ccc(N2CCOCC2)[nH+]c1 ZINC001249964565 978862848 /nfs/dbraw/zinc/86/28/48/978862848.db2.gz LWLYKPYLZHMHOM-UHFFFAOYSA-N 1 2 234.343 2.507 20 0 BFADLO CCc1ccc(N2CC[C@H]3OCCC[C@H]3C2)[nH+]c1 ZINC001339628996 978882737 /nfs/dbraw/zinc/88/27/37/978882737.db2.gz NIMGFTAJKBVKDO-UONOGXRCSA-N 1 2 246.354 2.649 20 0 BFADLO Cc1ccc(Nc2ccsc2C(N)=O)c(C)[nH+]1 ZINC001203366607 979015917 /nfs/dbraw/zinc/01/59/17/979015917.db2.gz BWQILZQBRQYWCT-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1ncc(Cl)cn1 ZINC001235399679 979035390 /nfs/dbraw/zinc/03/53/90/979035390.db2.gz AZZZEFSYEGCQOW-UWVGGRQHSA-N 1 2 239.750 2.893 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc(Cl)cn2)C2(CC2)C1 ZINC001235424474 979042656 /nfs/dbraw/zinc/04/26/56/979042656.db2.gz SKKYMKLUBWBLLG-SECBINFHSA-N 1 2 237.734 2.504 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)cn2)C2(CC2)C1 ZINC001235424474 979042663 /nfs/dbraw/zinc/04/26/63/979042663.db2.gz SKKYMKLUBWBLLG-SECBINFHSA-N 1 2 237.734 2.504 20 0 BFADLO Fc1ccc2nc(C[NH+]3CC4CC(C4)C3)[nH]c2c1 ZINC001235702778 979130560 /nfs/dbraw/zinc/13/05/60/979130560.db2.gz YDUKMELUWAWYLK-UHFFFAOYSA-N 1 2 245.301 2.544 20 0 BFADLO COc1cc(C)cc(F)c1-c1cc(N)cc[nH+]1 ZINC001236205228 979448495 /nfs/dbraw/zinc/44/84/95/979448495.db2.gz BXLLQTMGXJGUET-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO c1cc(N2CCCC2)[nH+]cc1CC1CC1 ZINC001250037466 979462505 /nfs/dbraw/zinc/46/25/05/979462505.db2.gz UQOISQHFPWBPRV-UHFFFAOYSA-N 1 2 202.301 2.634 20 0 BFADLO c1cn(Cc2ccc(CC3CC3)cc2)c[nH+]1 ZINC001250038081 979474565 /nfs/dbraw/zinc/47/45/65/979474565.db2.gz UAAVYLLVUBXZNC-UHFFFAOYSA-N 1 2 212.296 2.884 20 0 BFADLO Cc1cc(C)c(/C=C\C[NH+]2CC(C)(O)C2)c(C)c1 ZINC001182215616 979478006 /nfs/dbraw/zinc/47/80/06/979478006.db2.gz GHBVNPOJPWTGHO-WAYWQWQTSA-N 1 2 245.366 2.692 20 0 BFADLO Nc1ccc(-c2ccc3c(c2)CC=C3)c[nH+]1 ZINC001236312887 979516258 /nfs/dbraw/zinc/51/62/58/979516258.db2.gz BCYNOECYYPFZDT-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO COc1c(F)cc(-c2ccc(N)[nH+]c2)cc1F ZINC001236313746 979523117 /nfs/dbraw/zinc/52/31/17/979523117.db2.gz ZXEZLYANWFDDKH-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N)c2)c2c[nH]nc21 ZINC001236492377 979609965 /nfs/dbraw/zinc/60/99/65/979609965.db2.gz KFBJXDJRGTUYFQ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CNc1cc(-c2ccnc(OC(C)C)c2)cc[nH+]1 ZINC001236561471 979634923 /nfs/dbraw/zinc/63/49/23/979634923.db2.gz MNRRMXJVCNDKJB-UHFFFAOYSA-N 1 2 243.310 2.973 20 0 BFADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccc(C)nc2)o1 ZINC001236594579 979672158 /nfs/dbraw/zinc/67/21/58/979672158.db2.gz HGCYJSNOCFXXMH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C)c(C[N@H+](C)Cc2ccc(C)nc2)o1 ZINC001236594579 979672164 /nfs/dbraw/zinc/67/21/64/979672164.db2.gz HGCYJSNOCFXXMH-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO c1cc2c(cccc2C[N@@H+]2CCO[C@H]3C[C@H]32)s1 ZINC001236681150 979692121 /nfs/dbraw/zinc/69/21/21/979692121.db2.gz DXZXKEDYKCDXBT-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO c1cc2c(cccc2C[N@H+]2CCO[C@H]3C[C@H]32)s1 ZINC001236681150 979692130 /nfs/dbraw/zinc/69/21/30/979692130.db2.gz DXZXKEDYKCDXBT-OLZOCXBDSA-N 1 2 245.347 2.874 20 0 BFADLO COc1cc(C[NH+]2CC(C)(C)C2)c(F)cc1F ZINC001236818225 979749066 /nfs/dbraw/zinc/74/90/66/979749066.db2.gz RMCUBQIWAUETCJ-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO c1c[nH+]c(-c2ccc(C[C@@H]3CCCO3)cc2)[nH]1 ZINC001250106261 979779269 /nfs/dbraw/zinc/77/92/69/979779269.db2.gz SNGSKXRANJAURV-ZDUSSCGKSA-N 1 2 228.295 2.798 20 0 BFADLO COC1C[NH+](Cc2cccc(OC(C)(C)C)c2)C1 ZINC001237098554 979814360 /nfs/dbraw/zinc/81/43/60/979814360.db2.gz NNYJSSUNIINGJH-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO Cc1cc2c(cn1)C[N@H+](CC1OC=CC1=S)C2 ZINC001237185238 979838584 /nfs/dbraw/zinc/83/85/84/979838584.db2.gz VBXNZXVBEFHEGD-UHFFFAOYSA-N 1 2 246.335 2.788 20 0 BFADLO Cc1cc2c(cn1)C[N@@H+](CC1OC=CC1=S)C2 ZINC001237185238 979838590 /nfs/dbraw/zinc/83/85/90/979838590.db2.gz VBXNZXVBEFHEGD-UHFFFAOYSA-N 1 2 246.335 2.788 20 0 BFADLO CCn1nccc1Nc1cccn2cc(C)[nH+]c12 ZINC001205274916 979841605 /nfs/dbraw/zinc/84/16/05/979841605.db2.gz WKEDDVBGARNHKC-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO CC(C)OCCCNc1cc(N)cc(Cl)[nH+]1 ZINC000153125665 979871540 /nfs/dbraw/zinc/87/15/40/979871540.db2.gz YIJFRQWAZSPVJZ-UHFFFAOYSA-N 1 2 243.738 2.544 20 0 BFADLO CC(C)(C)[N@H+](Cc1nnc[nH]1)Cc1ccccc1 ZINC001237601642 979959657 /nfs/dbraw/zinc/95/96/57/979959657.db2.gz IFQSGIHBDHUYOT-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO CC(C)(C)[N@@H+](Cc1nnc[nH]1)Cc1ccccc1 ZINC001237601642 979959660 /nfs/dbraw/zinc/95/96/60/979959660.db2.gz IFQSGIHBDHUYOT-UHFFFAOYSA-N 1 2 244.342 2.605 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC001237629493 979978822 /nfs/dbraw/zinc/97/88/22/979978822.db2.gz LCYAVTPUAVCSJW-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC001237629493 979978827 /nfs/dbraw/zinc/97/88/27/979978827.db2.gz LCYAVTPUAVCSJW-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCc1cc(N[C@H]2CC[C@H](OC)C2)nc(CC)[nH+]1 ZINC001343022887 979979341 /nfs/dbraw/zinc/97/93/41/979979341.db2.gz ZKODPYDMTQEDGY-RYUDHWBXSA-N 1 2 249.358 2.581 20 0 BFADLO COc1ccc(C)c(C[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001237709654 980031531 /nfs/dbraw/zinc/03/15/31/980031531.db2.gz ORFUMOBHPSZMNE-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C)c(C[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC001237709654 980031538 /nfs/dbraw/zinc/03/15/38/980031538.db2.gz ORFUMOBHPSZMNE-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO Cc1cc(C[NH+]2CCOCC2)ccc1OC(C)C ZINC001237718088 980037754 /nfs/dbraw/zinc/03/77/54/980037754.db2.gz QXXSXNBXSPPWIP-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C)ccc1C ZINC001238069677 980137069 /nfs/dbraw/zinc/13/70/69/980137069.db2.gz XFAUHEYBWIVXAH-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C)ccc1C ZINC001238069677 980137073 /nfs/dbraw/zinc/13/70/73/980137073.db2.gz XFAUHEYBWIVXAH-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CC1(CC(=O)Nc2cccc3[nH+]ccn32)CCC1 ZINC001185091967 980169819 /nfs/dbraw/zinc/16/98/19/980169819.db2.gz RKLKIVOBPXEUSG-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Nc1ccnc(F)c1C[NH+]1CC2(C1)CCCCC2 ZINC001238163909 980190185 /nfs/dbraw/zinc/19/01/85/980190185.db2.gz ZDALGIOPKOKMFO-UHFFFAOYSA-N 1 2 249.333 2.569 20 0 BFADLO Cc1c(C)c(C[NH+]2CC(C)(O)C2)ccc1Cl ZINC001238215886 980225082 /nfs/dbraw/zinc/22/50/82/980225082.db2.gz RGVLQTMYAJJXFC-UHFFFAOYSA-N 1 2 239.746 2.523 20 0 BFADLO Cc1nc(N(C)[C@H](C)Cc2cccs2)cc[nH+]1 ZINC001185640097 980261239 /nfs/dbraw/zinc/26/12/39/980261239.db2.gz NSDRNOKMIKTKOG-SNVBAGLBSA-N 1 2 247.367 2.914 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(F)c(C3CC3)c2)CCO1 ZINC001238499940 980279644 /nfs/dbraw/zinc/27/96/44/980279644.db2.gz XGVOUVGJMUCUEX-NSHDSACASA-N 1 2 249.329 2.924 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(F)c(C3CC3)c2)CCO1 ZINC001238499940 980279656 /nfs/dbraw/zinc/27/96/56/980279656.db2.gz XGVOUVGJMUCUEX-NSHDSACASA-N 1 2 249.329 2.924 20 0 BFADLO CCc1cc(N2CC[C@H](CC)C2)nc(CC)[nH+]1 ZINC001185707610 980281142 /nfs/dbraw/zinc/28/11/42/980281142.db2.gz DTQDLIKEQUZBBF-NSHDSACASA-N 1 2 233.359 2.838 20 0 BFADLO CSc1cc(C)cc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001238681168 980310854 /nfs/dbraw/zinc/31/08/54/980310854.db2.gz FTVHLPDAUDELPP-BETUJISGSA-N 1 2 249.379 2.690 20 0 BFADLO CSc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001238681168 980310862 /nfs/dbraw/zinc/31/08/62/980310862.db2.gz FTVHLPDAUDELPP-BETUJISGSA-N 1 2 249.379 2.690 20 0 BFADLO CCOc1ccc(C)c(C[NH+]2CCC(=O)CC2)c1 ZINC001238705347 980311606 /nfs/dbraw/zinc/31/16/06/980311606.db2.gz PDVJKVDHCCGEJS-UHFFFAOYSA-N 1 2 247.338 2.559 20 0 BFADLO Nc1cc(-c2ccc(C3CC3)nc2)cc[nH+]1 ZINC001238852418 980342930 /nfs/dbraw/zinc/34/29/30/980342930.db2.gz FGDYTMYRZFXVFQ-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO CCC/C=C/C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344090678 980346838 /nfs/dbraw/zinc/34/68/38/980346838.db2.gz HSBSLXYTARYSLC-VOTSOKGWSA-N 1 2 236.315 2.518 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2noc3cccnc32)c1 ZINC001203654074 980476082 /nfs/dbraw/zinc/47/60/82/980476082.db2.gz CDJHEWFVFQIXLP-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO CCc1cc(NC/C=C/Cl)nc(CC)[nH+]1 ZINC001187824593 980554530 /nfs/dbraw/zinc/55/45/30/980554530.db2.gz UTLJPBHBJFORMU-AATRIKPKSA-N 1 2 225.723 2.766 20 0 BFADLO CN(C)c1cc(-c2cccc(F)c2)cc[nH+]1 ZINC001239535180 980706116 /nfs/dbraw/zinc/70/61/16/980706116.db2.gz JLERVUKJNMYKMB-UHFFFAOYSA-N 1 2 216.259 2.954 20 0 BFADLO Nc1cn2ccc(-c3cccc(F)c3)cc2[nH+]1 ZINC001239534410 980708194 /nfs/dbraw/zinc/70/81/94/980708194.db2.gz JJQXHDWVKMEGAN-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO Nc1cn2ccc(-c3cc(F)cc(F)c3)cc2[nH+]1 ZINC001239655234 980829607 /nfs/dbraw/zinc/82/96/07/980829607.db2.gz KLPJQFNUCQONAX-UHFFFAOYSA-N 1 2 245.232 2.862 20 0 BFADLO COc1ccc(/C(C)=C/C=C/[NH3+])c(C)c1 ZINC001239826043 980972225 /nfs/dbraw/zinc/97/22/25/980972225.db2.gz KIUVUBVOFMOUDE-DXNUHORPSA-N 1 2 203.285 2.879 20 0 BFADLO COc1cncc(-c2cc(C)cn3cc[nH+]c23)c1 ZINC001239928819 981038508 /nfs/dbraw/zinc/03/85/08/981038508.db2.gz BSXOUBIEEFFVDL-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cc(N2CCOCC2)[nH+]cc1CC1CCCC1 ZINC001250429946 981067430 /nfs/dbraw/zinc/06/74/30/981067430.db2.gz SLDIKIYJPJZVIN-UHFFFAOYSA-N 1 2 246.354 2.651 20 0 BFADLO c1cn2ccc(-c3ccc4cncnc4c3)cc2[nH+]1 ZINC001239986745 981086758 /nfs/dbraw/zinc/08/67/58/981086758.db2.gz VDBKDGOOYZUWMA-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(C(=O)NC(C)C)cc1 ZINC001240022933 981106097 /nfs/dbraw/zinc/10/60/97/981106097.db2.gz HYMTXRVWVCEABA-JBZDOKMESA-N 1 2 244.338 2.701 20 0 BFADLO CCCn1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240131475 981133699 /nfs/dbraw/zinc/13/36/99/981133699.db2.gz WLDNYOUXHJFOPI-UHFFFAOYSA-N 1 2 226.283 2.608 20 0 BFADLO CCCn1cc(-c2cn3cc[nH+]c3cc2C)cn1 ZINC001240133326 981135434 /nfs/dbraw/zinc/13/54/34/981135434.db2.gz BSMPSLMBDWCVKF-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1nn(C)c(C)c1-c1[nH+]ccc2[nH]ccc21 ZINC001240140029 981138451 /nfs/dbraw/zinc/13/84/51/981138451.db2.gz MQGQTVDUGPHVQS-UHFFFAOYSA-N 1 2 226.283 2.580 20 0 BFADLO Cc1c[nH]c2ncnc(-c3ccc4[nH+]ccn4c3)c12 ZINC001240213697 981160976 /nfs/dbraw/zinc/16/09/76/981160976.db2.gz AZUUPQWJICNHMY-UHFFFAOYSA-N 1 2 249.277 2.533 20 0 BFADLO c1cn2cc(-c3cnc4ccccc4n3)ccc2[nH+]1 ZINC001240213919 981162481 /nfs/dbraw/zinc/16/24/81/981162481.db2.gz HPEDOTAGGXVMSA-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3ncnc4ccccc43)ccc2[nH+]1 ZINC001240214836 981163907 /nfs/dbraw/zinc/16/39/07/981163907.db2.gz SHGPCJRCYSJHEQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cc2cc(-c3ccc4[nH+]ccn4c3)ncc2[nH]1 ZINC001240215355 981164034 /nfs/dbraw/zinc/16/40/34/981164034.db2.gz PUGSYLUOWLDMRH-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2cc(-c3ccc(C4CC4)nn3)ccc2[nH+]1 ZINC001240214640 981164735 /nfs/dbraw/zinc/16/47/35/981164735.db2.gz OXTJRFGYGORHAV-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO COc1ncc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001240217495 981166245 /nfs/dbraw/zinc/16/62/45/981166245.db2.gz GQLOBGGOGSNLGZ-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO COc1ncc(-c2ccc3[nH+]ccn3c2)cc1C ZINC001240217429 981166613 /nfs/dbraw/zinc/16/66/13/981166613.db2.gz CQTUAPLSUKVFTK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO COCc1ccc(-c2ccc3[nH+]ccn3c2)nc1 ZINC001240216949 981166790 /nfs/dbraw/zinc/16/67/90/981166790.db2.gz UHVNCWHRVAUWAJ-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)nc2[nH]cnc21 ZINC001240216700 981167825 /nfs/dbraw/zinc/16/78/25/981167825.db2.gz MBZPBDOIVINVCU-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1c(F)cncc1-c1ccc2[nH+]ccn2c1 ZINC001240218859 981168740 /nfs/dbraw/zinc/16/87/40/981168740.db2.gz MPUDFEIQKMZODF-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cc(-c3ccc4c(c3)OCC4)ccc2[nH+]1 ZINC001240219363 981171273 /nfs/dbraw/zinc/17/12/73/981171273.db2.gz IKBSBMSFLGCRAQ-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cncc(F)c1 ZINC001240234765 981194304 /nfs/dbraw/zinc/19/43/04/981194304.db2.gz LQHHCNVPNQFLQW-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO Cc1c(-c2cncc(F)c2)ccc2[nH+]ccn21 ZINC001240237361 981202990 /nfs/dbraw/zinc/20/29/90/981202990.db2.gz ICHDMPZGUWBRPU-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO COc1cc(-c2ccc3[nH+]c(C)cn3c2)ccn1 ZINC001240257074 981230573 /nfs/dbraw/zinc/23/05/73/981230573.db2.gz GDVNELVSULLDAH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Cc1cc(F)cc(N2C[C@H](C)[C@@H](C)C2)[nH+]1 ZINC001348020321 981249917 /nfs/dbraw/zinc/24/99/17/981249917.db2.gz JKWQVIFEACFIEG-IUCAKERBSA-N 1 2 208.280 2.621 20 0 BFADLO CCc1ccc(N2CC[C@@H](C)[C@@H](OC)C2)[nH+]c1 ZINC001348115094 981287457 /nfs/dbraw/zinc/28/74/57/981287457.db2.gz ATPXKUMNCRLULF-YPMHNXCESA-N 1 2 234.343 2.505 20 0 BFADLO Cn1cnc2ccc(-c3ccn4cc[nH+]c4c3)cc21 ZINC001240318561 981291128 /nfs/dbraw/zinc/29/11/28/981291128.db2.gz LHMZAUWEKDAYKE-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Nc1cc(-c2ccnc(C(F)(F)F)c2)cc[nH+]1 ZINC001240339170 981307490 /nfs/dbraw/zinc/30/74/90/981307490.db2.gz OPXHRERVSNFCBX-UHFFFAOYSA-N 1 2 239.200 2.745 20 0 BFADLO c1cc2cc(-c3cccc4[nH+]ccn43)cnc2[nH]1 ZINC001240392084 981350078 /nfs/dbraw/zinc/35/00/78/981350078.db2.gz ZLJVMLZUBRDIPH-UHFFFAOYSA-N 1 2 234.262 2.829 20 0 BFADLO CC(C)OC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001193487501 981350680 /nfs/dbraw/zinc/35/06/80/981350680.db2.gz NLLQAJLXEZPMIF-UHFFFAOYSA-N 1 2 245.282 2.829 20 0 BFADLO O=C(Nc1ccn2cc[nH+]c2c1)OC1CCCC1 ZINC001193536004 981359517 /nfs/dbraw/zinc/35/95/17/981359517.db2.gz IYAJPDBNQDKOQN-UHFFFAOYSA-N 1 2 245.282 2.825 20 0 BFADLO CCCCOC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001193677085 981405657 /nfs/dbraw/zinc/40/56/57/981405657.db2.gz BNHUAWVNPJHFIW-UHFFFAOYSA-N 1 2 233.271 2.683 20 0 BFADLO CC(=CC=C[NH3+])c1cnc2[nH]c(C)cc2c1 ZINC001240483512 981409553 /nfs/dbraw/zinc/40/95/53/981409553.db2.gz NEPRPYAEKZSFBC-BMVOEDMYSA-N 1 2 213.284 2.747 20 0 BFADLO CCOc1ncccc1-c1cccc2[nH+]ccn21 ZINC001240492521 981412091 /nfs/dbraw/zinc/41/20/91/981412091.db2.gz HKOJJEVBEKCWLU-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO CC(C)c1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496027 981415129 /nfs/dbraw/zinc/41/51/29/981415129.db2.gz CZWKWBDBSLZOAM-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO CCCc1cncnc1-c1ccn2cc[nH+]c2c1 ZINC001240495947 981415356 /nfs/dbraw/zinc/41/53/56/981415356.db2.gz BAUNKSRVTBVGFQ-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Cc1c[nH]c2ncnc(-c3ccn4cc[nH+]c4c3)c12 ZINC001240497044 981417267 /nfs/dbraw/zinc/41/72/67/981417267.db2.gz SALBJLUPYPQBHR-UHFFFAOYSA-N 1 2 249.277 2.533 20 0 BFADLO FC(F)c1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240497773 981417940 /nfs/dbraw/zinc/41/79/40/981417940.db2.gz ZGIGDJBBDIGKKA-UHFFFAOYSA-N 1 2 246.220 2.729 20 0 BFADLO CC(C)c1ccc(-c2ccn3cc[nH+]c3c2)nn1 ZINC001240496792 981418618 /nfs/dbraw/zinc/41/86/18/981418618.db2.gz UANIOPTVIDWNLR-UHFFFAOYSA-N 1 2 238.294 2.915 20 0 BFADLO Cc1cc2ncnc(-c3ccn4cc[nH+]c4c3)c2[nH]1 ZINC001240496537 981418696 /nfs/dbraw/zinc/41/86/96/981418696.db2.gz FNZJUFOIRISNLK-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cn2ccc(-c3nccc4cnccc43)cc2[nH+]1 ZINC001240497232 981418832 /nfs/dbraw/zinc/41/88/32/981418832.db2.gz OCFHPTMNKOXBAA-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CCc1cc(C)nc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240502945 981432253 /nfs/dbraw/zinc/43/22/53/981432253.db2.gz BKUYEYCGSIRPRD-UHFFFAOYSA-N 1 2 238.294 2.662 20 0 BFADLO Fc1ccc(-c2ccn3cc[nH+]c3c2)c(F)n1 ZINC001240508670 981434231 /nfs/dbraw/zinc/43/42/31/981434231.db2.gz IDHAOBOJMHRQHZ-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO COc1ccc(-c2ccn3cc[nH+]c3c2)c(N)c1 ZINC001240511921 981436594 /nfs/dbraw/zinc/43/65/94/981436594.db2.gz LXCVZKIZKPGKMX-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO c1cn2ccc(-c3cnc4c(c3)CN=N4)cc2[nH+]1 ZINC001240513325 981437904 /nfs/dbraw/zinc/43/79/04/981437904.db2.gz LZXLFNHHZPKAOH-UHFFFAOYSA-N 1 2 235.250 2.994 20 0 BFADLO CC(C)COC(=O)Nc1cccc2[nH+]ccn21 ZINC001193794666 981442454 /nfs/dbraw/zinc/44/24/54/981442454.db2.gz JIKWMUXBKKUTNT-UHFFFAOYSA-N 1 2 233.271 2.539 20 0 BFADLO Cc1cn2c(cccc2NC(=O)OCC(C)C)[nH+]1 ZINC001193794698 981442990 /nfs/dbraw/zinc/44/29/90/981442990.db2.gz LQQWTGIDEQXJAC-UHFFFAOYSA-N 1 2 247.298 2.847 20 0 BFADLO Cc1n[nH]cc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001240517850 981445127 /nfs/dbraw/zinc/44/51/27/981445127.db2.gz ADXVHUXYFHKCLR-UHFFFAOYSA-N 1 2 224.267 2.571 20 0 BFADLO COc1ccnc(F)c1-c1ccn2cc[nH+]c2c1 ZINC001240518735 981448276 /nfs/dbraw/zinc/44/82/76/981448276.db2.gz UDVQGVNSHYZOGY-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1n[nH]cc1-c1cccc(-c2c[nH+]cn2C)c1 ZINC001240521838 981453674 /nfs/dbraw/zinc/45/36/74/981453674.db2.gz YMPRTRKTNZCJQE-UHFFFAOYSA-N 1 2 238.294 2.786 20 0 BFADLO CC(C)COC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001193809602 981457079 /nfs/dbraw/zinc/45/70/79/981457079.db2.gz LOQHQFJFNQCHCB-UHFFFAOYSA-N 1 2 233.271 2.539 20 0 BFADLO Nc1cccc(-c2ccc(N3CCCC3)cc2)[nH+]1 ZINC001240587425 981486812 /nfs/dbraw/zinc/48/68/12/981486812.db2.gz QLNCPCMYXUJJNE-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Nc1ccc(-c2ccc(N3CCCC3)cc2)c[nH+]1 ZINC001240592109 981488753 /nfs/dbraw/zinc/48/87/53/981488753.db2.gz SVMPGNROXALRMS-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Cn1cccc1[C@H]1COCC[N@@H+]1CC1=CCCC1 ZINC001349100325 981507652 /nfs/dbraw/zinc/50/76/52/981507652.db2.gz WPRCJSIXHSHJSR-OAHLLOKOSA-N 1 2 246.354 2.509 20 0 BFADLO Cn1cccc1[C@H]1COCC[N@H+]1CC1=CCCC1 ZINC001349100325 981507656 /nfs/dbraw/zinc/50/76/56/981507656.db2.gz WPRCJSIXHSHJSR-OAHLLOKOSA-N 1 2 246.354 2.509 20 0 BFADLO Cc1cc(O)ccc1-c1ccn2cc(N)[nH+]c2c1 ZINC001240643765 981538197 /nfs/dbraw/zinc/53/81/97/981538197.db2.gz OPHQEJMKMDHXJA-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO CCCOC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001194084383 981549574 /nfs/dbraw/zinc/54/95/74/981549574.db2.gz IKGUSUQOIDMCBW-UHFFFAOYSA-N 1 2 233.271 2.601 20 0 BFADLO c1cn2ccc(-c3cnc(C4CC4)nc3)cc2[nH+]1 ZINC001240684220 981588428 /nfs/dbraw/zinc/58/84/28/981588428.db2.gz JUKFODNLJBQHPV-UHFFFAOYSA-N 1 2 236.278 2.669 20 0 BFADLO CCn1nccc1-c1cc(C)cn2cc[nH+]c12 ZINC001240703435 981661865 /nfs/dbraw/zinc/66/18/65/981661865.db2.gz SDJWYPKGFYBJCO-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO CC(C)(C)COC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001194361773 981735630 /nfs/dbraw/zinc/73/56/30/981735630.db2.gz ABBRGGDLGFUGOE-UHFFFAOYSA-N 1 2 247.298 2.929 20 0 BFADLO Cc1coc(C(=O)Nc2c(C)c[nH+]cc2C)c1C ZINC001349793271 981745464 /nfs/dbraw/zinc/74/54/64/981745464.db2.gz XRLUMVPLABGTEA-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO COc1c(F)ccc(F)c1/C(C)=C/C=C/[NH3+] ZINC001240725297 981768308 /nfs/dbraw/zinc/76/83/08/981768308.db2.gz FXEAQKDGZUOXLF-FCXRPNKRSA-N 1 2 225.238 2.849 20 0 BFADLO COCOc1cc(C)ccc1-c1cc[nH+]c(N)c1 ZINC001240755164 981808854 /nfs/dbraw/zinc/80/88/54/981808854.db2.gz MOIVGNMZSBJSGD-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO COC(C)(C)Cc1[nH]c2ccc(F)c(C)c2[nH+]1 ZINC001250613288 982010180 /nfs/dbraw/zinc/01/01/80/982010180.db2.gz JPXMHUVBZDJHTF-UHFFFAOYSA-N 1 2 236.290 2.978 20 0 BFADLO CC(=CC=C[NH3+])c1cnc2[nH]cc(C)c2c1 ZINC001240956753 982024855 /nfs/dbraw/zinc/02/48/55/982024855.db2.gz AULYKYDWIHIHMC-BMVOEDMYSA-N 1 2 213.284 2.747 20 0 BFADLO Cc1c[nH]c2ncc(-c3cc[nH+]c(N)c3)cc12 ZINC001240958764 982028098 /nfs/dbraw/zinc/02/80/98/982028098.db2.gz ZYWBCPXYFJGPFW-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CC[C@@H](C)OC(=O)Nc1cccc2[nH+]c(C)cn21 ZINC001195069968 982046854 /nfs/dbraw/zinc/04/68/54/982046854.db2.gz HCVHEONJURKNBD-SNVBAGLBSA-N 1 2 247.298 2.990 20 0 BFADLO CC[C@@H](C)OC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001195086765 982071415 /nfs/dbraw/zinc/07/14/15/982071415.db2.gz SURUPFCVKKVNGD-SNVBAGLBSA-N 1 2 247.298 2.990 20 0 BFADLO CCOc1cc(F)cc(-c2c[nH+]cn2C)c1 ZINC001241025210 982118710 /nfs/dbraw/zinc/11/87/10/982118710.db2.gz WWLVLVHEIIPSJL-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO CNc1cc(-c2ccc(C)cc2O)cc[nH+]1 ZINC001241052137 982155386 /nfs/dbraw/zinc/15/53/86/982155386.db2.gz RIMNHTMITLEUDE-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CN(C)c1cc(-c2ccc(O)cc2)cc[nH+]1 ZINC001241063195 982174070 /nfs/dbraw/zinc/17/40/70/982174070.db2.gz ZNHFOSBPFWJBBU-UHFFFAOYSA-N 1 2 214.268 2.520 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1c(F)cc(O)cc1F ZINC001241119073 982239049 /nfs/dbraw/zinc/23/90/49/982239049.db2.gz WQNNQDCVIBKHEI-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO Cc1c[nH+]c(-c2c(F)cc(O)cc2F)cc1N ZINC001241120451 982244735 /nfs/dbraw/zinc/24/47/35/982244735.db2.gz VJSYNXBHEIFERZ-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO CNc1cc(-c2cc(OC)cc(OC)c2)cc[nH+]1 ZINC001241131388 982266929 /nfs/dbraw/zinc/26/69/29/982266929.db2.gz APPOYDQLEFKXRY-UHFFFAOYSA-N 1 2 244.294 2.808 20 0 BFADLO Cc1nc2cc(-c3cc[nH+]c(N)c3)ccc2o1 ZINC001241163757 982305580 /nfs/dbraw/zinc/30/55/80/982305580.db2.gz ZLSIGABLFVYUSH-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1c(C)cccc1-c1cc[nH+]c(N)c1 ZINC001241169473 982311408 /nfs/dbraw/zinc/31/14/08/982311408.db2.gz AWVAUVZJYWFGCE-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1nc2ccc(-c3cc[nH+]c(N)c3)cc2s1 ZINC001241169509 982311461 /nfs/dbraw/zinc/31/14/61/982311461.db2.gz CIFSQTYTDADKKF-UHFFFAOYSA-N 1 2 242.307 2.523 20 0 BFADLO Nc1cc(-c2ccc(-c3ncc[nH]3)cc2)cc[nH+]1 ZINC001241169764 982311924 /nfs/dbraw/zinc/31/19/24/982311924.db2.gz OLQZPNKWTCANAX-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO COc1cc(C)ccc1-c1cc[nH+]c(N)c1 ZINC001241169705 982313324 /nfs/dbraw/zinc/31/33/24/982313324.db2.gz LQSNNKRTBZNWNY-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CC(C)COc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241170645 982315518 /nfs/dbraw/zinc/31/55/18/982315518.db2.gz UKDWKIHYEMMBKC-UHFFFAOYSA-N 1 2 243.310 2.761 20 0 BFADLO COc1cccc(C)c1-c1cc[nH+]c(N)c1 ZINC001241170441 982315677 /nfs/dbraw/zinc/31/56/77/982315677.db2.gz NOJNGLUASRWOBZ-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CSc1cc(C)c(-c2cc[nH+]c(N)c2)cn1 ZINC001241176276 982326496 /nfs/dbraw/zinc/32/64/96/982326496.db2.gz YEIGRRZVSIWSDD-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO Cn1ccc2c1cc[nH+]c2-c1ccncc1F ZINC001241223723 982363453 /nfs/dbraw/zinc/36/34/53/982363453.db2.gz KLNGJXYKVSQAFM-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1ccc(F)c(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241229109 982380592 /nfs/dbraw/zinc/38/05/92/982380592.db2.gz XHIAOQBTCKTLQK-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO CNc1cc(-c2cc(O)cc(F)c2)cc[nH+]1 ZINC001241280680 982420826 /nfs/dbraw/zinc/42/08/26/982420826.db2.gz RQBVMOVHEFWUIB-UHFFFAOYSA-N 1 2 218.231 2.635 20 0 BFADLO Oc1cc(F)cc(-c2c[nH+]c3c(c2)CCCN3)c1 ZINC001241282604 982425050 /nfs/dbraw/zinc/42/50/50/982425050.db2.gz MPDYOLKODJTLMJ-UHFFFAOYSA-N 1 2 244.269 2.594 20 0 BFADLO Cc1c[nH+]c(-c2c(F)ccc(O)c2F)cc1N ZINC001241290904 982427936 /nfs/dbraw/zinc/42/79/36/982427936.db2.gz WUIAVWKOEHJYLI-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]c(C2CCC2)n1)[C@H](C)O ZINC001352052563 982447841 /nfs/dbraw/zinc/44/78/41/982447841.db2.gz QSLHFSDSHZSMAN-JQWIXIFHSA-N 1 2 249.358 2.624 20 0 BFADLO CCOc1cc(F)ccc1-c1cc[nH+]c(N)c1 ZINC001241319703 982480550 /nfs/dbraw/zinc/48/05/50/982480550.db2.gz PMYMHTJAGBLVQY-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO C[N@H+]1CC=C(c2cccc(S)c2)CC1 ZINC001241319654 982482177 /nfs/dbraw/zinc/48/21/77/982482177.db2.gz PDYRTICTAQNFAW-UHFFFAOYSA-N 1 2 205.326 2.694 20 0 BFADLO C[N@@H+]1CC=C(c2cccc(S)c2)CC1 ZINC001241319654 982482183 /nfs/dbraw/zinc/48/21/83/982482183.db2.gz PDYRTICTAQNFAW-UHFFFAOYSA-N 1 2 205.326 2.694 20 0 BFADLO CNc1cc(-c2ccccc2[S@@](C)=O)cc[nH+]1 ZINC001241342648 982505035 /nfs/dbraw/zinc/50/50/35/982505035.db2.gz PASUXLFOMLNQHF-QGZVFWFLSA-N 1 2 246.335 2.528 20 0 BFADLO CCc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001241374632 982537273 /nfs/dbraw/zinc/53/72/73/982537273.db2.gz WYYSRLXTXZRADI-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO Cc1cc(-c2cnc3n[nH]cc3c2)cn2cc[nH+]c12 ZINC001241424612 982576101 /nfs/dbraw/zinc/57/61/01/982576101.db2.gz BRHUJRIXLLEAHO-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1cc(-c2cnc3n[nH]cc3c2)c2[nH+]ccn2c1 ZINC001241425196 982578400 /nfs/dbraw/zinc/57/84/00/982578400.db2.gz LXGFGTQUQJRCLI-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1cc(-c2cccc3cn(C)nc32)c[nH+]c1N ZINC001241469927 982626391 /nfs/dbraw/zinc/62/63/91/982626391.db2.gz ZJPJAAAJUZCZPA-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO CNc1cc(-c2ccc3nccnc3c2)cc[nH+]1 ZINC001241492605 982644036 /nfs/dbraw/zinc/64/40/36/982644036.db2.gz GATZFQSDARHZLV-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO Cc1cn2c(cccc2-c2cccc(CO)c2)[nH+]1 ZINC001241509226 982666188 /nfs/dbraw/zinc/66/61/88/982666188.db2.gz WIPWDUJIYHCFFN-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cn2cc(-c3cccc(CO)c3)ccc2[nH+]1 ZINC001241509635 982668572 /nfs/dbraw/zinc/66/85/72/982668572.db2.gz NEHIPURXESFMGT-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO Cc1cc(-c2nc3[nH]ccc3c[nH+]2)cc2c[nH]nc21 ZINC001241512895 982673830 /nfs/dbraw/zinc/67/38/30/982673830.db2.gz UDIOQTWEKDAQAH-UHFFFAOYSA-N 1 2 249.277 2.761 20 0 BFADLO Cc1ccc2n[nH]cc2c1-c1cc[nH+]c(N)c1 ZINC001241520809 982686593 /nfs/dbraw/zinc/68/65/93/982686593.db2.gz JHAZKAZUAUFZQV-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)CCCN2 ZINC001241834783 983078589 /nfs/dbraw/zinc/07/85/89/983078589.db2.gz JCUCFGCZTHSKIW-UHFFFAOYSA-N 1 2 225.295 2.689 20 0 BFADLO COc1cc(C)[nH+]c(CSCc2cc[nH]n2)c1 ZINC001353926763 983085258 /nfs/dbraw/zinc/08/52/58/983085258.db2.gz UKDATJJIVXRJAV-UHFFFAOYSA-N 1 2 249.339 2.555 20 0 BFADLO COc1c(F)cccc1Nc1ccc(N)[nH+]c1 ZINC001201284186 983156078 /nfs/dbraw/zinc/15/60/78/983156078.db2.gz MKMJRHYNBZQPOZ-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO Cc1cc(-c2ccc3n[nH]nc3c2)cn2cc[nH+]c12 ZINC001241941263 983156706 /nfs/dbraw/zinc/15/67/06/983156706.db2.gz HUNCWPBTTJFFKP-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1[nH+]c(-c2ccc3[nH]nnc3c2)cc2[nH]ccc21 ZINC001241940183 983157326 /nfs/dbraw/zinc/15/73/26/983157326.db2.gz DHEYSSMQYGMDJJ-UHFFFAOYSA-N 1 2 249.277 2.810 20 0 BFADLO Cc1[nH+]c(-c2ccc3nn[nH]c3c2)cc2[nH]ccc21 ZINC001241940183 983157328 /nfs/dbraw/zinc/15/73/28/983157328.db2.gz DHEYSSMQYGMDJJ-UHFFFAOYSA-N 1 2 249.277 2.810 20 0 BFADLO Nc1ccc(Nc2ccc(N)[nH+]c2)c(Cl)c1 ZINC001201285192 983160969 /nfs/dbraw/zinc/16/09/69/983160969.db2.gz CCQODEZMYQILLT-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO CCc1ccc(N2CC[C@H](OCC(C)C)C2)[nH+]c1 ZINC001354131751 983169095 /nfs/dbraw/zinc/16/90/95/983169095.db2.gz LBOMFGMEXOGAHX-AWEZNQCLSA-N 1 2 248.370 2.895 20 0 BFADLO Cc1cc(F)cc(N2CC3CCC2CC3)[nH+]1 ZINC001354153752 983176191 /nfs/dbraw/zinc/17/61/91/983176191.db2.gz XHIHUHHXLFJQOF-UHFFFAOYSA-N 1 2 220.291 2.908 20 0 BFADLO CC(C)Cc1cc(Nc2ccc(N)[nH+]c2)on1 ZINC001201272894 983177264 /nfs/dbraw/zinc/17/72/64/983177264.db2.gz WEJGJFAPIUIEFX-UHFFFAOYSA-N 1 2 232.287 2.594 20 0 BFADLO Nc1cc(Cl)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201295858 983182278 /nfs/dbraw/zinc/18/22/78/983182278.db2.gz UQLSMNFXYALILT-UHFFFAOYSA-N 1 2 234.690 2.643 20 0 BFADLO CNc1ccc(-c2cc(C)[nH+]c(C)c2)cn1 ZINC001241992071 983185652 /nfs/dbraw/zinc/18/56/52/983185652.db2.gz GRCHXWQPIIQGKO-UHFFFAOYSA-N 1 2 213.284 2.802 20 0 BFADLO Cc1cc(-c2ccc3c(c2)nnn3C)cc(C)[nH+]1 ZINC001241992792 983188307 /nfs/dbraw/zinc/18/83/07/983188307.db2.gz RMOOQQPDLBKTGD-UHFFFAOYSA-N 1 2 238.294 2.647 20 0 BFADLO CC(=O)Nc1cc(-c2cc(C)[nH+]c(C)c2)ccn1 ZINC001241993644 983188701 /nfs/dbraw/zinc/18/87/01/983188701.db2.gz MPNBXGQWZPWCSS-UHFFFAOYSA-N 1 2 241.294 2.719 20 0 BFADLO CCc1ccc(N2C[C@@H](C3CC3)O[C@@H](C)C2)[nH+]c1 ZINC001354186230 983189083 /nfs/dbraw/zinc/18/90/83/983189083.db2.gz WMQSYKGHXUPGML-FZMZJTMJSA-N 1 2 246.354 2.648 20 0 BFADLO Cc1cc(-c2[nH]cc[nH+]2)ccc1OC(F)F ZINC001242018510 983220784 /nfs/dbraw/zinc/22/07/84/983220784.db2.gz JFBVTWNRJKWFND-UHFFFAOYSA-N 1 2 224.210 2.987 20 0 BFADLO CC(=O)Nc1c(C)cc(-c2[nH]cc[nH+]2)cc1C ZINC001242018367 983221949 /nfs/dbraw/zinc/22/19/49/983221949.db2.gz FHRAVONLMYDVBG-UHFFFAOYSA-N 1 2 229.283 2.652 20 0 BFADLO Cc1cc(N(C)C)cc(C)c1-c1[nH]cc[nH+]1 ZINC001242019058 983222977 /nfs/dbraw/zinc/22/29/77/983222977.db2.gz XQNLLVVQBVQZDS-UHFFFAOYSA-N 1 2 215.300 2.760 20 0 BFADLO CC(C)C[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201463504 983231818 /nfs/dbraw/zinc/23/18/18/983231818.db2.gz BIVINAKYBYIFJO-SECBINFHSA-N 1 2 209.255 2.569 20 0 BFADLO CC(C)C[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201463504 983231830 /nfs/dbraw/zinc/23/18/30/983231830.db2.gz BIVINAKYBYIFJO-SECBINFHSA-N 1 2 209.255 2.569 20 0 BFADLO CC(C)[NH2+]c1ccc(Nc2cnc[nH]c2=O)cc1 ZINC001201491114 983258533 /nfs/dbraw/zinc/25/85/33/983258533.db2.gz MLWIRKOUQXXQDO-UHFFFAOYSA-N 1 2 244.298 2.746 20 0 BFADLO COc1ccncc1-c1cc(C)c2[nH+]ccn2c1 ZINC001242058527 983268840 /nfs/dbraw/zinc/26/88/40/983268840.db2.gz NFIXSMFMADJWOH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO OCc1cc[nH+]c(NCCCc2ccsc2)c1 ZINC001354381963 983297978 /nfs/dbraw/zinc/29/79/78/983297978.db2.gz DHMDHSFZSNQAQJ-UHFFFAOYSA-N 1 2 248.351 2.680 20 0 BFADLO CNc1ccc(-c2ccc3[nH+]ccn3c2C)cn1 ZINC001242073696 983313437 /nfs/dbraw/zinc/31/34/37/983313437.db2.gz WGTSHCXQTPJDFP-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO CC[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001201590159 983355830 /nfs/dbraw/zinc/35/58/30/983355830.db2.gz PPIGINKRJUNQPM-UHFFFAOYSA-N 1 2 245.244 2.788 20 0 BFADLO Cc1cc(-c2ccn3cc(N)[nH+]c3c2)ccc1O ZINC001242112023 983360708 /nfs/dbraw/zinc/36/07/08/983360708.db2.gz YAYPFSZLVMNQOD-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO Cc1cc(-c2c[nH+]c3c(c2)CCCN3)ccc1O ZINC001242126142 983365465 /nfs/dbraw/zinc/36/54/65/983365465.db2.gz GTJUNUUSKQPZAP-UHFFFAOYSA-N 1 2 240.306 2.763 20 0 BFADLO Cc1ccc(Nc2cncc(O)c2)c(C)[nH+]1 ZINC001201628968 983384881 /nfs/dbraw/zinc/38/48/81/983384881.db2.gz KOCJKSCDDAYUAX-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO O=C1C[N@@H+](CCCc2ccccc2)CCC[C@@H]1F ZINC001201652940 983404543 /nfs/dbraw/zinc/40/45/43/983404543.db2.gz OFCJVEWYNRAZSJ-AWEZNQCLSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1C[N@H+](CCCc2ccccc2)CCC[C@@H]1F ZINC001201652940 983404546 /nfs/dbraw/zinc/40/45/46/983404546.db2.gz OFCJVEWYNRAZSJ-AWEZNQCLSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1C[N@@H+](CCCc2ccccc2)CCC[C@H]1F ZINC001201652942 983404789 /nfs/dbraw/zinc/40/47/89/983404789.db2.gz OFCJVEWYNRAZSJ-CQSZACIVSA-N 1 2 249.329 2.622 20 0 BFADLO O=C1C[N@H+](CCCc2ccccc2)CCC[C@H]1F ZINC001201652942 983404795 /nfs/dbraw/zinc/40/47/95/983404795.db2.gz OFCJVEWYNRAZSJ-CQSZACIVSA-N 1 2 249.329 2.622 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc(F)cc1O ZINC001242218740 983418776 /nfs/dbraw/zinc/41/87/76/983418776.db2.gz NQMCDYVHICDFHF-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO Cc1cc(-c2ccc[nH+]c2N)ccc1N(C)C ZINC001242240983 983451063 /nfs/dbraw/zinc/45/10/63/983451063.db2.gz BKNLKWUPKNBBMN-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO Oc1c(F)cccc1-c1[nH+]ccc2c1CCN2 ZINC001242349821 983617395 /nfs/dbraw/zinc/61/73/95/983617395.db2.gz UOAPGSOGIZJCEX-UHFFFAOYSA-N 1 2 230.242 2.561 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCc2occc2C1 ZINC001202352605 983637742 /nfs/dbraw/zinc/63/77/42/983637742.db2.gz NJNAHKJUFSUPQU-UHFFFAOYSA-N 1 2 219.206 2.590 20 0 BFADLO FC(F)(F)CC[N@H+]1CCc2occc2C1 ZINC001202352605 983637743 /nfs/dbraw/zinc/63/77/43/983637743.db2.gz NJNAHKJUFSUPQU-UHFFFAOYSA-N 1 2 219.206 2.590 20 0 BFADLO Cn1c[nH+]cc1-c1cccc2ccncc21 ZINC001242370598 983666896 /nfs/dbraw/zinc/66/68/96/983666896.db2.gz IQKTWTCATAMOAR-UHFFFAOYSA-N 1 2 209.252 2.635 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1CO ZINC001242382945 983672403 /nfs/dbraw/zinc/67/24/03/983672403.db2.gz AHVIUTRSGYXYFW-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CC(C)n1cc(-c2c[nH+]c3c(c2)CCCN3)cn1 ZINC001242438750 983746361 /nfs/dbraw/zinc/74/63/61/983746361.db2.gz PUGVZRNXZBDHFN-UHFFFAOYSA-N 1 2 242.326 2.527 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCCC1CCC1 ZINC000853666351 983768335 /nfs/dbraw/zinc/76/83/35/983768335.db2.gz FBFQEVHFWANUPA-UHFFFAOYSA-N 1 2 238.356 2.979 20 0 BFADLO Cc1ccc(-c2cccc([C@H](C)O)c2)[nH+]c1N ZINC001242546413 983867343 /nfs/dbraw/zinc/86/73/43/983867343.db2.gz PTKNBHFLJQQCKM-JTQLQIEISA-N 1 2 228.295 2.693 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccnn1C(C)C ZINC001242556818 983868172 /nfs/dbraw/zinc/86/81/72/983868172.db2.gz AVFVEBNOUDUTES-UHFFFAOYSA-N 1 2 231.299 2.843 20 0 BFADLO COc1cc(F)c(F)cc1-c1ccc[nH+]c1N ZINC001242576995 983891959 /nfs/dbraw/zinc/89/19/59/983891959.db2.gz KBNJWCQFDHEQNZ-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Fc1nccc(Cl)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC001474536247 983906833 /nfs/dbraw/zinc/90/68/33/983906833.db2.gz GCTKLUQVIIUEHN-NSHDSACASA-N 1 2 240.709 2.858 20 0 BFADLO Fc1nccc(Cl)c1C[N@H+]1CC[C@H]1C1CC1 ZINC001474536247 983906847 /nfs/dbraw/zinc/90/68/47/983906847.db2.gz GCTKLUQVIIUEHN-NSHDSACASA-N 1 2 240.709 2.858 20 0 BFADLO CCc1cn(C[C@H]2CCC3(CCC3)CO2)c[nH+]1 ZINC001559466464 983921431 /nfs/dbraw/zinc/92/14/31/983921431.db2.gz VOEQMTIAZLQSJK-CYBMUJFWSA-N 1 2 234.343 2.795 20 0 BFADLO Cc1csc(C[N@@H+]2Cc3ccncc3C2)c1 ZINC001137157070 984001459 /nfs/dbraw/zinc/00/14/59/984001459.db2.gz KCEZZCMJTRPYKZ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1csc(C[N@H+]2Cc3ccncc3C2)c1 ZINC001137157070 984001472 /nfs/dbraw/zinc/00/14/72/984001472.db2.gz KCEZZCMJTRPYKZ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1cc(-c2ccc([C@@H](C)O)cc2)c[nH+]c1N ZINC001242648709 984021163 /nfs/dbraw/zinc/02/11/63/984021163.db2.gz SQVFYBVBOOOUCN-SNVBAGLBSA-N 1 2 228.295 2.693 20 0 BFADLO Cc1cc(C)c(Nc2cccc(=O)[nH]2)c[nH+]1 ZINC001212788103 984022863 /nfs/dbraw/zinc/02/28/63/984022863.db2.gz ZSQSGCVZHBVJAH-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO CCOc1cc(Nc2cccc(=O)[nH]2)cc(C)[nH+]1 ZINC001212789179 984028266 /nfs/dbraw/zinc/02/82/66/984028266.db2.gz WFFHYTBGPQNTAO-UHFFFAOYSA-N 1 2 245.282 2.633 20 0 BFADLO c1ccc2c(c1)cc[nH+]c2N1C[C@@H]2C[C@@H]2C1 ZINC000884592927 984176214 /nfs/dbraw/zinc/17/62/14/984176214.db2.gz ZCLHYFUXUUCYKL-TXEJJXNPSA-N 1 2 210.280 2.691 20 0 BFADLO CNc1cc(-c2cc(F)c(N)c(F)c2)cc[nH+]1 ZINC001242841589 984189856 /nfs/dbraw/zinc/18/98/56/984189856.db2.gz ZVOCXRYTTRBYSB-UHFFFAOYSA-N 1 2 235.237 2.651 20 0 BFADLO CCCn1nccc1-c1cc(C)cn2cc[nH+]c12 ZINC001242844005 984193448 /nfs/dbraw/zinc/19/34/48/984193448.db2.gz NUOPGLFLJJQKFH-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO c1[nH]c2ncccc2c1-c1cc[nH+]c2c1CCN2 ZINC001242864497 984206830 /nfs/dbraw/zinc/20/68/30/984206830.db2.gz JOPQJJSYEODKID-UHFFFAOYSA-N 1 2 236.278 2.593 20 0 BFADLO Sc1cccc(-c2ccc3c(n2)CC[NH2+]C3)c1 ZINC001242865739 984210689 /nfs/dbraw/zinc/21/06/89/984210689.db2.gz OZVOXXSDYLTFKE-UHFFFAOYSA-N 1 2 242.347 2.683 20 0 BFADLO Cc1cn2c(cccc2-c2nccs2)[nH+]1 ZINC001242895796 984250107 /nfs/dbraw/zinc/25/01/07/984250107.db2.gz CPMSKFGZKINZKZ-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Cc1cc(F)cc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC001319292623 984259576 /nfs/dbraw/zinc/25/95/76/984259576.db2.gz QKIVVWWUIHIRTI-SNVBAGLBSA-N 1 2 247.273 2.530 20 0 BFADLO COc1cc(C)[nH+]cc1-c1ccc(C)cn1 ZINC001242906032 984275532 /nfs/dbraw/zinc/27/55/32/984275532.db2.gz AZRSPJBKNXXRBB-UHFFFAOYSA-N 1 2 214.268 2.769 20 0 BFADLO Cc1cc(NC(=O)c2ccc(CF)cc2)cc[nH+]1 ZINC001435759136 984298553 /nfs/dbraw/zinc/29/85/53/984298553.db2.gz YBSTTZHIPJYROJ-UHFFFAOYSA-N 1 2 244.269 2.534 20 0 BFADLO CSc1cncc(/C(C)=C/C=C/[NH3+])c1 ZINC001242952244 984305375 /nfs/dbraw/zinc/30/53/75/984305375.db2.gz XQHKDZWISLHGJD-BMVOEDMYSA-N 1 2 206.314 2.679 20 0 BFADLO CSc1ccnc(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496921 984305899 /nfs/dbraw/zinc/30/58/99/984305899.db2.gz RAZFJMUFDHMCLB-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO CSc1cncc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242952342 984315331 /nfs/dbraw/zinc/31/53/31/984315331.db2.gz SDOYJSVGYOOHRW-UHFFFAOYSA-N 1 2 243.335 2.834 20 0 BFADLO COc1cc(C)ccc1/C(C)=C/C=C/[NH3+] ZINC001242979064 984347754 /nfs/dbraw/zinc/34/77/54/984347754.db2.gz CUDIGPZCTOQMOE-JNKBEKGTSA-N 1 2 203.285 2.879 20 0 BFADLO CCOC(=O)c1cccc(-c2ccc[nH+]c2N)c1 ZINC001243040381 984377763 /nfs/dbraw/zinc/37/77/63/984377763.db2.gz CYKBYKJPEKSOLB-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO CC(=O)Nc1cc(C)c(C)cc1-c1c[nH+]cn1C ZINC001243066977 984478014 /nfs/dbraw/zinc/47/80/14/984478014.db2.gz FHFJHRLWVZADRA-UHFFFAOYSA-N 1 2 243.310 2.662 20 0 BFADLO COc1ccc2ncc(-c3c[nH+]cn3C)cc2c1 ZINC001243066969 984478945 /nfs/dbraw/zinc/47/89/45/984478945.db2.gz DXJFYNBBJIWZBA-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(F)c2cnccc12 ZINC001243068052 984485249 /nfs/dbraw/zinc/48/52/49/984485249.db2.gz UFONTXPBZSAHRT-UHFFFAOYSA-N 1 2 227.242 2.774 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)c2ccccc2n1 ZINC001243067339 984485655 /nfs/dbraw/zinc/48/56/55/984485655.db2.gz IVUJBOVTHMBFOR-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1nc2cc(-c3c[nH+]cn3C)ccc2o1 ZINC001243069126 984488047 /nfs/dbraw/zinc/48/80/47/984488047.db2.gz PRSKBWDKSJCOLH-UHFFFAOYSA-N 1 2 213.240 2.537 20 0 BFADLO Cc1ccc(-c2c[nH+]cn2C)c2[nH]ccc21 ZINC001243068416 984488726 /nfs/dbraw/zinc/48/87/26/984488726.db2.gz WIFCISGXPRTEPV-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO COc1ccc2cc(-c3c[nH+]cn3C)cnc2c1 ZINC001243068414 984489115 /nfs/dbraw/zinc/48/91/15/984489115.db2.gz WGYSVRGEJREKQH-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(-c2cnco2)c1 ZINC001243068579 984490536 /nfs/dbraw/zinc/49/05/36/984490536.db2.gz FLZGJLFTRYPWTA-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)ccc1OC(F)F ZINC001243070653 984491793 /nfs/dbraw/zinc/49/17/93/984491793.db2.gz JJUZUAMYRUEUHO-UHFFFAOYSA-N 1 2 238.237 2.997 20 0 BFADLO Cc1ccc(-c2c[nH+]cn2C)c2cccnc12 ZINC001243071214 984497968 /nfs/dbraw/zinc/49/79/68/984497968.db2.gz OWXQOTZPGJVPHP-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO Cc1noc2ccc(-c3c[nH+]cn3C)cc12 ZINC001243071278 984499730 /nfs/dbraw/zinc/49/97/30/984499730.db2.gz PQWASYMDWXWRKP-UHFFFAOYSA-N 1 2 213.240 2.537 20 0 BFADLO OCc1cccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001243142506 984606132 /nfs/dbraw/zinc/60/61/32/984606132.db2.gz NRBBKBBUJYSAOM-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cnc(F)c(-c2cc(N(C)C)cc[nH+]2)c1 ZINC001243163796 984620578 /nfs/dbraw/zinc/62/05/78/984620578.db2.gz ZMQMYUXCZYVIFS-UHFFFAOYSA-N 1 2 231.274 2.657 20 0 BFADLO COc1c(F)cc(/C(C)=C/C=C/[NH3+])cc1F ZINC001243225150 984726120 /nfs/dbraw/zinc/72/61/20/984726120.db2.gz NYNBFGFPYMFPCX-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO CNc1cc(-c2cnc(F)c(C)c2)cc[nH+]1 ZINC001243400237 984892040 /nfs/dbraw/zinc/89/20/40/984892040.db2.gz IPEBPHSETMAXSL-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO CCCC[C@H](CC)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257424598 984983585 /nfs/dbraw/zinc/98/35/85/984983585.db2.gz GKAVBNBAOXKILQ-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO CCCC[C@H](CC)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257424598 984983594 /nfs/dbraw/zinc/98/35/94/984983594.db2.gz GKAVBNBAOXKILQ-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO CCCOc1ncc(-c2ccc[nH+]c2N)cc1C ZINC001243473496 985026079 /nfs/dbraw/zinc/02/60/79/985026079.db2.gz MAZPRHQIYHATMR-UHFFFAOYSA-N 1 2 243.310 2.823 20 0 BFADLO Nc1[nH+]cccc1-c1cccc2c1CCCO2 ZINC001243476325 985029571 /nfs/dbraw/zinc/02/95/71/985029571.db2.gz BQDHSKQATFZYBW-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO Cc1cc(F)c(F)cc1-c1ccc[nH+]c1N ZINC001243476115 985033023 /nfs/dbraw/zinc/03/30/23/985033023.db2.gz OQKAPIAMSILLMU-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO COCc1ccc(-c2ccc[nH+]c2N)c(C)c1 ZINC001243477053 985036374 /nfs/dbraw/zinc/03/63/74/985036374.db2.gz IFVNLEPOXYGYIV-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Cc1c(F)ccc(F)c1-c1ccc[nH+]c1N ZINC001243476636 985036845 /nfs/dbraw/zinc/03/68/45/985036845.db2.gz DPFRNJIRLAPXTR-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO CC(C)COc1cc(-c2ccc[nH+]c2N)ccn1 ZINC001243476476 985039797 /nfs/dbraw/zinc/03/97/97/985039797.db2.gz BIOUEJXAZADEPF-UHFFFAOYSA-N 1 2 243.310 2.761 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)cc(F)c1O ZINC001243502712 985062259 /nfs/dbraw/zinc/06/22/59/985062259.db2.gz PFCTUWCRGNIDHG-JKEDICHKSA-N 1 2 211.211 2.546 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cccc(O)c1F ZINC001243544114 985083799 /nfs/dbraw/zinc/08/37/99/985083799.db2.gz BEKIFWVTKRJHDG-UHFFFAOYSA-N 1 2 246.285 2.968 20 0 BFADLO CCc1[nH]c(CNC(=O)CC2(C)CCCC2)c[nH+]1 ZINC001456145213 985118191 /nfs/dbraw/zinc/11/81/91/985118191.db2.gz QRRVBAVUVIRVNK-UHFFFAOYSA-N 1 2 249.358 2.559 20 0 BFADLO CCc1[nH]cc(CNC(=O)CC2(C)CCCC2)[nH+]1 ZINC001456145213 985118204 /nfs/dbraw/zinc/11/82/04/985118204.db2.gz QRRVBAVUVIRVNK-UHFFFAOYSA-N 1 2 249.358 2.559 20 0 BFADLO COCCOc1ccccc1/C(C)=C/C=C/[NH3+] ZINC001243617568 985152573 /nfs/dbraw/zinc/15/25/73/985152573.db2.gz JCSGZKSVLMLPAM-BGNLXQKFSA-N 1 2 233.311 2.588 20 0 BFADLO Cc1nocc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001243673552 985164547 /nfs/dbraw/zinc/16/45/47/985164547.db2.gz GGBKSUCFNXTUEB-UHFFFAOYSA-N 1 2 229.283 2.645 20 0 BFADLO Cc1cn2c(cccc2-c2conc2C)[nH+]1 ZINC001243676816 985180915 /nfs/dbraw/zinc/18/09/15/985180915.db2.gz YTERWFAFXOARON-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257516670 985188721 /nfs/dbraw/zinc/18/87/21/985188721.db2.gz MUMPBWFZLUUGFA-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO CCCCC[C@H](C)[N@H+]1CC[C@H](O)C(F)(F)C1 ZINC001257516670 985188731 /nfs/dbraw/zinc/18/87/31/985188731.db2.gz MUMPBWFZLUUGFA-QWRGUYRKSA-N 1 2 235.318 2.657 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(C(=O)N(C)C)cc1C ZINC001243684195 985199866 /nfs/dbraw/zinc/19/98/66/985199866.db2.gz VERMNUWHTZHBDG-MPEOSAONSA-N 1 2 244.338 2.573 20 0 BFADLO OCc1cc(F)cc(-c2cc3[nH]ccc3c[nH+]2)c1 ZINC001243691977 985215449 /nfs/dbraw/zinc/21/54/49/985215449.db2.gz IDCHIXKRSVZLEW-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO OCc1cc(F)cc(-c2ccn3cc[nH+]c3c2)c1 ZINC001243696802 985222072 /nfs/dbraw/zinc/22/20/72/985222072.db2.gz HBVDDSXGIPOZID-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(CO)cc(-c2cccc3[nH+]ccn32)c1 ZINC001243697439 985227641 /nfs/dbraw/zinc/22/76/41/985227641.db2.gz GYZMLAIUZVBFRO-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CNc1cc(-c2cc(C)cc(CO)c2)cc[nH+]1 ZINC001243704169 985238540 /nfs/dbraw/zinc/23/85/40/985238540.db2.gz QFMBSCWXMFCBFX-UHFFFAOYSA-N 1 2 228.295 2.591 20 0 BFADLO C/C(=C\C=C\[NH3+])c1c(Cl)cccc1CO ZINC001243711285 985242057 /nfs/dbraw/zinc/24/20/57/985242057.db2.gz NTAZAJMSXXXTEL-DDEWIXKASA-N 1 2 223.703 2.708 20 0 BFADLO CCOc1ncc(-c2cc[nH+]c(NC)c2)cc1F ZINC001243772282 985305693 /nfs/dbraw/zinc/30/56/93/985305693.db2.gz DLRYEOGJGHYBTN-UHFFFAOYSA-N 1 2 247.273 2.723 20 0 BFADLO Cc1ncc(CSc2[nH+]cnc3[nH]ccc32)o1 ZINC001458662360 985340650 /nfs/dbraw/zinc/34/06/50/985340650.db2.gz KNYSHMYHKRPVDJ-UHFFFAOYSA-N 1 2 246.295 2.547 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258099712 985418580 /nfs/dbraw/zinc/41/85/80/985418580.db2.gz QHLKWFKTQOSPFP-GFCCVEGCSA-N 1 2 209.333 2.786 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001258099712 985418593 /nfs/dbraw/zinc/41/85/93/985418593.db2.gz QHLKWFKTQOSPFP-GFCCVEGCSA-N 1 2 209.333 2.786 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+]1CCCC(=O)C1 ZINC001258099713 985415619 /nfs/dbraw/zinc/41/56/19/985415619.db2.gz QHLKWFKTQOSPFP-LBPRGKRZSA-N 1 2 209.333 2.786 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+]1CCCC(=O)C1 ZINC001258099713 985415633 /nfs/dbraw/zinc/41/56/33/985415633.db2.gz QHLKWFKTQOSPFP-LBPRGKRZSA-N 1 2 209.333 2.786 20 0 BFADLO CCc1cn(CCc2ccc3c(c2)CCO3)c[nH+]1 ZINC001459258938 985415762 /nfs/dbraw/zinc/41/57/62/985415762.db2.gz GCXAPFFILNFDAO-UHFFFAOYSA-N 1 2 242.322 2.623 20 0 BFADLO CC(C)=CCC[C@H](C)[N@@H+]1Cc2cnn(C)c2C1 ZINC001258100133 985418666 /nfs/dbraw/zinc/41/86/66/985418666.db2.gz WEWWFCQWBHFEGB-LBPRGKRZSA-N 1 2 233.359 2.871 20 0 BFADLO CC(C)=CCC[C@H](C)[N@H+]1Cc2cnn(C)c2C1 ZINC001258100133 985418696 /nfs/dbraw/zinc/41/86/96/985418696.db2.gz WEWWFCQWBHFEGB-LBPRGKRZSA-N 1 2 233.359 2.871 20 0 BFADLO CCc1cn(CCC(F)=C(F)F)c[nH+]1 ZINC001459264407 985425465 /nfs/dbraw/zinc/42/54/65/985425465.db2.gz VOUZSCBLCGNOSS-UHFFFAOYSA-N 1 2 204.195 2.913 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccnc(OCC2CC2)c1 ZINC001243921208 985596102 /nfs/dbraw/zinc/59/61/02/985596102.db2.gz UGLIYMXHURUQKL-ZPBVKXTCSA-N 1 2 230.311 2.746 20 0 BFADLO Cc1nc2sccc2c(C2=C[NH2+]CCC2)n1 ZINC001243947607 985620580 /nfs/dbraw/zinc/62/05/80/985620580.db2.gz MWRBJIJGOWFVPP-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO CC[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CO1 ZINC000688430063 985634224 /nfs/dbraw/zinc/63/42/24/985634224.db2.gz WSVPQEAMPOASSC-OCCSQVGLSA-N 1 2 234.343 2.732 20 0 BFADLO Cc1nc2ccc(-c3ccc(N)[nH+]c3C)cc2[nH]1 ZINC001243967524 985684197 /nfs/dbraw/zinc/68/41/97/985684197.db2.gz YUVQFVSMMCOSPU-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cc(F)nc(F)c1 ZINC001243971019 985697286 /nfs/dbraw/zinc/69/72/86/985697286.db2.gz NGOILOLOJVNEPQ-UHFFFAOYSA-N 1 2 245.232 2.983 20 0 BFADLO CC(C)CCc1nnc([C@H]2CC3CC[NH+]2CC3)o1 ZINC001258256257 985732153 /nfs/dbraw/zinc/73/21/53/985732153.db2.gz FVXCIJXUFMNWIJ-GFCCVEGCSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1cc(F)c(O)c(F)c1 ZINC001244096981 985807476 /nfs/dbraw/zinc/80/74/76/985807476.db2.gz LPQTVYMZISSYDR-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO Oc1c(F)cc(-c2cccc3[nH+]ccn32)cc1F ZINC001244094866 985808264 /nfs/dbraw/zinc/80/82/64/985808264.db2.gz WQCUBQIIXYKUQR-UHFFFAOYSA-N 1 2 246.216 2.985 20 0 BFADLO CO[C@H]1CC=C(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC001212871959 985815033 /nfs/dbraw/zinc/81/50/33/985815033.db2.gz ICLQHZSWGUHSLL-LBPRGKRZSA-N 1 2 233.315 2.588 20 0 BFADLO CO[C@@H]1CC=C(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC001212871958 985816942 /nfs/dbraw/zinc/81/69/42/985816942.db2.gz ICLQHZSWGUHSLL-GFCCVEGCSA-N 1 2 233.315 2.588 20 0 BFADLO Nc1ccc(-c2ccc3cc[nH]c(=O)c3c2)c[nH+]1 ZINC001244312961 985945173 /nfs/dbraw/zinc/94/51/73/985945173.db2.gz MHOYRGQFBINTDZ-UHFFFAOYSA-N 1 2 237.262 2.585 20 0 BFADLO Nc1ccc(F)cc1-c1cc2[nH]ccc2c[nH+]1 ZINC001244393613 986035603 /nfs/dbraw/zinc/03/56/03/986035603.db2.gz IBPRDTQEOMFFPK-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Cc1ccc(O)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001244403807 986073119 /nfs/dbraw/zinc/07/31/19/986073119.db2.gz CJSLQWBXYIZDBW-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Cc1ccc(O)c(-c2cc[nH+]c3c2CCN3)c1 ZINC001244409445 986087975 /nfs/dbraw/zinc/08/79/75/986087975.db2.gz PAVDUHXFJZMEDR-UHFFFAOYSA-N 1 2 226.279 2.731 20 0 BFADLO COCOc1ccc(C)c(/C(C)=C/C=C/[NH3+])c1 ZINC001244456976 986122041 /nfs/dbraw/zinc/12/20/41/986122041.db2.gz VXQWRLQJSBTRND-JNKBEKGTSA-N 1 2 233.311 2.853 20 0 BFADLO COCOc1cccc(F)c1/C(C)=C/C=C/[NH3+] ZINC001244484528 986173143 /nfs/dbraw/zinc/17/31/43/986173143.db2.gz YNNZMVRJYAFNIC-DXNUHORPSA-N 1 2 237.274 2.684 20 0 BFADLO CCOC(=O)C1([NH2+][C@@H](CC)C[C@H](C)CC)CC1 ZINC001258780978 986181775 /nfs/dbraw/zinc/18/17/75/986181775.db2.gz SNLIHZZAHAGYEA-NEPJUHHUSA-N 1 2 241.375 2.887 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N)c2)cc(Cl)c1O ZINC001244538861 986232162 /nfs/dbraw/zinc/23/21/62/986232162.db2.gz YRTMTFVTKHKUCB-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCCOC(=O)C[NH2+][C@H](CC)Cc1ccccc1 ZINC001258843860 986302642 /nfs/dbraw/zinc/30/26/42/986302642.db2.gz KERBIBGRRAOZJW-CQSZACIVSA-N 1 2 249.354 2.551 20 0 BFADLO CNc1cc(-c2ccccc2NC)cc[nH+]1 ZINC001244977048 986569127 /nfs/dbraw/zinc/56/91/27/986569127.db2.gz PLXHJDJBPVCMOA-UHFFFAOYSA-N 1 2 213.284 2.832 20 0 BFADLO CNc1cc(-c2ccc3ccnnc3c2)cc[nH+]1 ZINC001244977290 986569466 /nfs/dbraw/zinc/56/94/66/986569466.db2.gz YBHHIDNPTRLAPU-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO CNc1cc(-c2cc(Cl)cc(CO)c2)cc[nH+]1 ZINC001245093477 986661582 /nfs/dbraw/zinc/66/15/82/986661582.db2.gz GCOYAGYCPNMWNZ-UHFFFAOYSA-N 1 2 248.713 2.936 20 0 BFADLO Cc1c(CN2CCC[C@H](F)C2)[nH+]c2ccccn12 ZINC001137272119 986705081 /nfs/dbraw/zinc/70/50/81/986705081.db2.gz IFFJFARRHVODJD-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO CCCOc1ccc(-c2ccc[nH+]c2N)cn1 ZINC001245230730 986755287 /nfs/dbraw/zinc/75/52/87/986755287.db2.gz CXYYNVPQQHUKQM-UHFFFAOYSA-N 1 2 229.283 2.515 20 0 BFADLO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccno1 ZINC001137320590 986762653 /nfs/dbraw/zinc/76/26/53/986762653.db2.gz BAHNJKGFQWNMCJ-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccno1 ZINC001137320590 986762661 /nfs/dbraw/zinc/76/26/61/986762661.db2.gz BAHNJKGFQWNMCJ-UHFFFAOYSA-N 1 2 241.294 2.788 20 0 BFADLO CCOc1cc(-c2cc[nH+]c3c2CCN3)ccn1 ZINC001245267441 986773310 /nfs/dbraw/zinc/77/33/10/986773310.db2.gz DQJGJURNLSUMKW-UHFFFAOYSA-N 1 2 241.294 2.510 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(F)c(N)c1C ZINC001245461704 986857413 /nfs/dbraw/zinc/85/74/13/986857413.db2.gz JFMPKFDBCXJFAL-FCXRPNKRSA-N 1 2 206.264 2.592 20 0 BFADLO COc1cc(-c2cc[nH+]c(C)c2C)ccc1N ZINC001245503768 986882940 /nfs/dbraw/zinc/88/29/40/986882940.db2.gz XSFQELLQZQHUTA-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Cc1cc(-c2ccnc(C(C)(C)C)n2)c[nH+]c1N ZINC001245535545 986909504 /nfs/dbraw/zinc/90/95/04/986909504.db2.gz CFYCYCKVGHYJPN-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO Cc1cc(-c2ccc3cnccc3n2)c[nH+]c1N ZINC001245534994 986911321 /nfs/dbraw/zinc/91/13/21/986911321.db2.gz DPJDEIPNMJNZLT-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cc(CC(C)C)ncn2)c[nH+]c1N ZINC001245536689 986912228 /nfs/dbraw/zinc/91/22/28/986912228.db2.gz ATXQSQJTZOBFOK-UHFFFAOYSA-N 1 2 242.326 2.628 20 0 BFADLO Cc1cc(-c2ccnc(C(F)F)c2)c[nH+]c1N ZINC001245536971 986912273 /nfs/dbraw/zinc/91/22/73/986912273.db2.gz PPGDOVKZMHFEGJ-UHFFFAOYSA-N 1 2 235.237 2.972 20 0 BFADLO Fc1nc(Cl)ccc1C[NH+]1CCCCC1 ZINC001137469212 986916530 /nfs/dbraw/zinc/91/65/30/986916530.db2.gz ZWPYVKYUPVQCLU-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO Cc1c[nH]c2nc(-c3c[nH+]c(N)c(C)c3)ccc12 ZINC001245537178 986917980 /nfs/dbraw/zinc/91/79/80/986917980.db2.gz ZKOBYVYNXQTHOA-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2cccc3cnoc32)c[nH+]c1N ZINC001245540397 986925949 /nfs/dbraw/zinc/92/59/49/986925949.db2.gz QXXJUFAADWNTOB-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(-c2cc3cc[nH]c3nc2C)c[nH+]c1N ZINC001245539164 986926419 /nfs/dbraw/zinc/92/64/19/986926419.db2.gz SIPPOCFILPNBFS-UHFFFAOYSA-N 1 2 238.294 2.776 20 0 BFADLO Cc1cc(-c2cc3[nH]cnc3cc2F)c[nH+]c1N ZINC001245539807 986928150 /nfs/dbraw/zinc/92/81/50/986928150.db2.gz KXSOZPVIHKORIG-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cn1c[nH+]cc1-c1cc2cc(F)ccc2[nH]1 ZINC001245576410 986974118 /nfs/dbraw/zinc/97/41/18/986974118.db2.gz YPYHKXJVDJLHQP-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@@H+]1CCC(=O)C[C@H]1C ZINC001255842091 987074844 /nfs/dbraw/zinc/07/48/44/987074844.db2.gz NYNCDOKCFWMKNU-VXGBXAGGSA-N 1 2 249.329 2.810 20 0 BFADLO C[C@H](Cc1ccccc1F)[N@H+]1CCC(=O)C[C@H]1C ZINC001255842091 987074855 /nfs/dbraw/zinc/07/48/55/987074855.db2.gz NYNCDOKCFWMKNU-VXGBXAGGSA-N 1 2 249.329 2.810 20 0 BFADLO CSc1cnc(F)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245761763 987076827 /nfs/dbraw/zinc/07/68/27/987076827.db2.gz GZYJPFKOUIQSGS-UHFFFAOYSA-N 1 2 249.314 2.895 20 0 BFADLO CC(C)Nc1nc2ccccc2n2c[nH+]cc12 ZINC001472639959 987260534 /nfs/dbraw/zinc/26/05/34/987260534.db2.gz PWXWCOGHCAANEO-UHFFFAOYSA-N 1 2 226.283 2.703 20 0 BFADLO CC(F)(F)C(C)(C)CNc1cc[nH+]cc1F ZINC000699664816 987377434 /nfs/dbraw/zinc/37/74/34/987377434.db2.gz RWJHTUTWKDRPHP-UHFFFAOYSA-N 1 2 232.249 2.736 20 0 BFADLO CCCCC[C@H](C)[NH2+][C@@H]1CNCC(F)(F)C1 ZINC001246220358 987617721 /nfs/dbraw/zinc/61/77/21/987617721.db2.gz CRCSJSAGRLSJNJ-QWRGUYRKSA-N 1 2 234.334 2.542 20 0 BFADLO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)CC1)n1cc[nH+]c1 ZINC001116717699 987679260 /nfs/dbraw/zinc/67/92/60/987679260.db2.gz USQQVGYEUUDQTH-UPJWGTAASA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](C(=O)N[C@@H]1CCCC(C)(C)C1)n1cc[nH+]c1 ZINC001116735377 987687118 /nfs/dbraw/zinc/68/71/18/987687118.db2.gz VYJWYSAEYQQSAG-VXGBXAGGSA-N 1 2 249.358 2.529 20 0 BFADLO COC1(C)CN(c2cc(C)c3ccccc3[nH+]2)C1 ZINC001116765641 987700126 /nfs/dbraw/zinc/70/01/26/987700126.db2.gz NLSCFQKOYNLTGF-UHFFFAOYSA-N 1 2 242.322 2.768 20 0 BFADLO COc1nsc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1Cl ZINC001474551125 987756324 /nfs/dbraw/zinc/75/63/24/987756324.db2.gz VPSGRIPYFRMEOV-RQJHMYQMSA-N 1 2 246.763 2.645 20 0 BFADLO COc1nsc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1Cl ZINC001474551125 987756327 /nfs/dbraw/zinc/75/63/27/987756327.db2.gz VPSGRIPYFRMEOV-RQJHMYQMSA-N 1 2 246.763 2.645 20 0 BFADLO CCCC[C@@H](CCC)N[C@H]1C[NH2+]CC1(F)F ZINC001246462186 987823149 /nfs/dbraw/zinc/82/31/49/987823149.db2.gz QYNFGSJJQAAAIX-MNOVXSKESA-N 1 2 234.334 2.542 20 0 BFADLO CCCC[C@H](CCC)N[C@H]1C[NH2+]CC1(F)F ZINC001246462187 987823946 /nfs/dbraw/zinc/82/39/46/987823946.db2.gz QYNFGSJJQAAAIX-QWRGUYRKSA-N 1 2 234.334 2.542 20 0 BFADLO CCCc1nc(C[N@H+](CC)C(C)(C)C)no1 ZINC001117750386 987889853 /nfs/dbraw/zinc/88/98/53/987889853.db2.gz DMRZPOCLEPLPDF-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](CC)C(C)(C)C)no1 ZINC001117750386 987889860 /nfs/dbraw/zinc/88/98/60/987889860.db2.gz DMRZPOCLEPLPDF-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO Cc1nc(N2CC[C@@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC001322090011 988104322 /nfs/dbraw/zinc/10/43/22/988104322.db2.gz RJPBUDBNLZVVTQ-STQMWFEESA-N 1 2 231.343 2.802 20 0 BFADLO CCC(CC)[C@H](C)c1nnc(C[NH+](C)C)o1 ZINC001322400471 988239201 /nfs/dbraw/zinc/23/92/01/988239201.db2.gz SDCCILYFOIPCDG-VIFPVBQESA-N 1 2 225.336 2.671 20 0 BFADLO CCCCCC(C)(C)c1nnc(C[NH+](C)C)o1 ZINC001322401375 988246825 /nfs/dbraw/zinc/24/68/25/988246825.db2.gz SIOUHTSUSZZFOR-UHFFFAOYSA-N 1 2 239.363 2.989 20 0 BFADLO CC1=C(C)C[C@@H](c2nnc(C[NH+](C)C)o2)CC1 ZINC001118433299 988347555 /nfs/dbraw/zinc/34/75/55/988347555.db2.gz RSYOZWKXNHSHJT-NSHDSACASA-N 1 2 235.331 2.735 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)[C@H]1CCc2c1cccc2F ZINC001118557176 988437121 /nfs/dbraw/zinc/43/71/21/988437121.db2.gz CIALBGNGKAUSDR-ZDUSSCGKSA-N 1 2 245.301 2.668 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)[C@H]1CCc2c1cccc2F ZINC001118557176 988437128 /nfs/dbraw/zinc/43/71/28/988437128.db2.gz CIALBGNGKAUSDR-ZDUSSCGKSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](SCCn1cc[nH+]c1)c1cccnc1 ZINC001323367223 988506681 /nfs/dbraw/zinc/50/66/81/988506681.db2.gz BVDPTKHWAXVOEN-LLVKDONJSA-N 1 2 233.340 2.773 20 0 BFADLO CC1(C)CCC[C@@H]([N@@H+]2CC[C@@H](N)C(F)(F)C2)C1 ZINC001246837058 988537429 /nfs/dbraw/zinc/53/74/29/988537429.db2.gz PHRNPFVATBFKTJ-GHMZBOCLSA-N 1 2 246.345 2.624 20 0 BFADLO CC1(C)CCC[C@@H]([N@H+]2CC[C@@H](N)C(F)(F)C2)C1 ZINC001246837058 988537435 /nfs/dbraw/zinc/53/74/35/988537435.db2.gz PHRNPFVATBFKTJ-GHMZBOCLSA-N 1 2 246.345 2.624 20 0 BFADLO CC(C)OC(=O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC001323792816 988611157 /nfs/dbraw/zinc/61/11/57/988611157.db2.gz UVYSGLLYVSZNGB-QWHCGFSZSA-N 1 2 249.354 2.720 20 0 BFADLO CN[C@@H]1CC[N@@H+]1[C@H](Cc1ccccc1)CC(C)C ZINC001246901239 988675792 /nfs/dbraw/zinc/67/57/92/988675792.db2.gz WMRWHOIAFSVJCG-HOTGVXAUSA-N 1 2 246.398 2.895 20 0 BFADLO CN[C@@H]1CC[N@H+]1[C@H](Cc1ccccc1)CC(C)C ZINC001246901239 988675793 /nfs/dbraw/zinc/67/57/93/988675793.db2.gz WMRWHOIAFSVJCG-HOTGVXAUSA-N 1 2 246.398 2.895 20 0 BFADLO CC(C)c1ocnc1COc1cc[nH+]cc1 ZINC001324430535 988839066 /nfs/dbraw/zinc/83/90/66/988839066.db2.gz STFBXXZJKVISAT-UHFFFAOYSA-N 1 2 218.256 2.772 20 0 BFADLO Cc1cccc2[nH+]c(CCCO)n(C3CC3)c21 ZINC001247044782 988847926 /nfs/dbraw/zinc/84/79/26/988847926.db2.gz PSNLOYNGNJFTOO-UHFFFAOYSA-N 1 2 230.311 2.605 20 0 BFADLO CC[N@H+](Cc1c2ccoc2ccc1F)C1COC1 ZINC001248538173 989114367 /nfs/dbraw/zinc/11/43/67/989114367.db2.gz CMNAJJZPUVRMIM-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO CC[N@@H+](Cc1c2ccoc2ccc1F)C1COC1 ZINC001248538173 989114371 /nfs/dbraw/zinc/11/43/71/989114371.db2.gz CMNAJJZPUVRMIM-UHFFFAOYSA-N 1 2 249.285 2.793 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c3ccoc3ccc2F)CCO1 ZINC001248528513 989117167 /nfs/dbraw/zinc/11/71/67/989117167.db2.gz PBCFPIHJKUHVPN-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c3ccoc3ccc2F)CCO1 ZINC001248528513 989117179 /nfs/dbraw/zinc/11/71/79/989117179.db2.gz PBCFPIHJKUHVPN-SNVBAGLBSA-N 1 2 249.285 2.793 20 0 BFADLO CC[N@H+](Cc1c(Cl)ccnc1OC)C1CC1 ZINC001248791364 989144738 /nfs/dbraw/zinc/14/47/38/989144738.db2.gz BVEJNVLANCNMBN-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO CC[N@@H+](Cc1c(Cl)ccnc1OC)C1CC1 ZINC001248791364 989144745 /nfs/dbraw/zinc/14/47/45/989144745.db2.gz BVEJNVLANCNMBN-UHFFFAOYSA-N 1 2 240.734 2.728 20 0 BFADLO OCc1cc[nH+]c(NC[C@H]2C[C@H]2C2CCCC2)c1 ZINC001516395675 989148281 /nfs/dbraw/zinc/14/82/81/989148281.db2.gz PMDTXKLLLRYNHT-KGLIPLIRSA-N 1 2 246.354 2.812 20 0 BFADLO OCc1cc[nH+]c(NC[C@H]2C[C@@H]2C2CCCC2)c1 ZINC001516395679 989149493 /nfs/dbraw/zinc/14/94/93/989149493.db2.gz PMDTXKLLLRYNHT-ZIAGYGMSSA-N 1 2 246.354 2.812 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2csc(C)c2)n(C)n1 ZINC001248803464 989152980 /nfs/dbraw/zinc/15/29/80/989152980.db2.gz YYZFNNABTOHYDB-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2csc(C)c2)n(C)n1 ZINC001248803464 989152992 /nfs/dbraw/zinc/15/29/92/989152992.db2.gz YYZFNNABTOHYDB-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO CC[N@H+](Cc1nc2ccc(OC)cc2[nH]1)C1CC1 ZINC001249410691 989275327 /nfs/dbraw/zinc/27/53/27/989275327.db2.gz CAFFVKLXTWCHTL-UHFFFAOYSA-N 1 2 245.326 2.556 20 0 BFADLO CC[N@@H+](Cc1nc2ccc(OC)cc2[nH]1)C1CC1 ZINC001249410691 989275344 /nfs/dbraw/zinc/27/53/44/989275344.db2.gz CAFFVKLXTWCHTL-UHFFFAOYSA-N 1 2 245.326 2.556 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C\C(C)(C)C ZINC001518047350 989278140 /nfs/dbraw/zinc/27/81/40/989278140.db2.gz FHEZXQJYFXKLBU-SREVYHEPSA-N 1 2 236.315 2.549 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001249480244 989292147 /nfs/dbraw/zinc/29/21/47/989292147.db2.gz KQTIMEWUVLIZFT-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO CC(C)(C)c1c[nH]c(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001249480244 989292143 /nfs/dbraw/zinc/29/21/43/989292143.db2.gz KQTIMEWUVLIZFT-UHFFFAOYSA-N 1 2 248.370 2.677 20 0 BFADLO Cc1cc(C(F)(F)F)c(C[NH+]2CC(C)C2)cn1 ZINC001249512574 989292470 /nfs/dbraw/zinc/29/24/70/989292470.db2.gz VBTNKOGHTKBIRL-UHFFFAOYSA-N 1 2 244.260 2.861 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480782 989295248 /nfs/dbraw/zinc/29/52/48/989295248.db2.gz NAOSDQKZNRHXNU-AWEZNQCLSA-N 1 2 248.370 2.866 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)c[nH]1 ZINC001249480782 989295261 /nfs/dbraw/zinc/29/52/61/989295261.db2.gz NAOSDQKZNRHXNU-AWEZNQCLSA-N 1 2 248.370 2.866 20 0 BFADLO Cc1cnc(Nc2cc[nH+]cc2C(F)(F)F)o1 ZINC001249582614 989318663 /nfs/dbraw/zinc/31/86/63/989318663.db2.gz CQGMRGHDGRXJCZ-UHFFFAOYSA-N 1 2 243.188 2.562 20 0 BFADLO CC(C)=C[C@@H]1[C@@H](c2nnc(C[NH+](C)C)o2)C1(C)C ZINC001326292074 989472056 /nfs/dbraw/zinc/47/20/56/989472056.db2.gz FQOMPHVQTYEQLQ-PWSUYJOCSA-N 1 2 249.358 2.837 20 0 BFADLO C[C@H]1CC(c2nnc(C[NH+](C)C)o2)C[C@H](C)C1 ZINC001326941582 989781263 /nfs/dbraw/zinc/78/12/63/989781263.db2.gz WASJOKJBHCPXJI-NXEZZACHSA-N 1 2 237.347 2.671 20 0 BFADLO Cc1cc(F)cc(N2CCCC[C@@H]2C)[nH+]1 ZINC001120794190 989885108 /nfs/dbraw/zinc/88/51/08/989885108.db2.gz WXJRYJSSQGRXKL-JTQLQIEISA-N 1 2 208.280 2.908 20 0 BFADLO CCOC1CC(N(C)c2ccc(CC)c[nH+]2)C1 ZINC001120849542 989920262 /nfs/dbraw/zinc/92/02/62/989920262.db2.gz UUJYRVQNCBIMOV-UHFFFAOYSA-N 1 2 234.343 2.648 20 0 BFADLO CCc1ccc(N(C)Cc2cccnc2)[nH+]c1 ZINC001120875968 989938882 /nfs/dbraw/zinc/93/88/82/989938882.db2.gz IRUFIBNUWFXIOK-UHFFFAOYSA-N 1 2 227.311 2.675 20 0 BFADLO CCc1ccc(N2CCC[C@H](C(C)(C)O)C2)[nH+]c1 ZINC001120953224 989987338 /nfs/dbraw/zinc/98/73/38/989987338.db2.gz JGTZILIMMBAVGI-ZDUSSCGKSA-N 1 2 248.370 2.631 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CC=CCC1 ZINC001121230866 990054594 /nfs/dbraw/zinc/05/45/94/990054594.db2.gz DEYXXVCRPFYXTH-ZDUSSCGKSA-N 1 2 244.338 2.805 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001537534824 990504959 /nfs/dbraw/zinc/50/49/59/990504959.db2.gz GIONUSOFCBVOFI-JSGCOSHPSA-N 1 2 246.354 2.967 20 0 BFADLO CCC[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC001537534825 990505859 /nfs/dbraw/zinc/50/58/59/990505859.db2.gz GIONUSOFCBVOFI-OCCSQVGLSA-N 1 2 246.354 2.967 20 0 BFADLO CCn1c[nH+]cc1COC(=O)C[C@@H]1CC=CCC1 ZINC001123472806 990590070 /nfs/dbraw/zinc/59/00/70/990590070.db2.gz LAJNFXVCFFYVST-GFCCVEGCSA-N 1 2 248.326 2.693 20 0 BFADLO Fc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cn1 ZINC001137735218 990844681 /nfs/dbraw/zinc/84/46/81/990844681.db2.gz JOKFMHDBMBTVME-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cn1 ZINC001137735218 990844685 /nfs/dbraw/zinc/84/46/85/990844685.db2.gz JOKFMHDBMBTVME-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cc(F)c(C[NH+]2CC3CC(C3)C2)cc1F ZINC001137893166 990866068 /nfs/dbraw/zinc/86/60/68/990866068.db2.gz HQVWVTVIDFXGBF-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO C[N@H+](CCF)Cc1ccc(N2CCCCC2)o1 ZINC001138179657 990898352 /nfs/dbraw/zinc/89/83/52/990898352.db2.gz CLLZDQNSRSYORI-UHFFFAOYSA-N 1 2 240.322 2.671 20 0 BFADLO C[N@@H+](CCF)Cc1ccc(N2CCCCC2)o1 ZINC001138179657 990898354 /nfs/dbraw/zinc/89/83/54/990898354.db2.gz CLLZDQNSRSYORI-UHFFFAOYSA-N 1 2 240.322 2.671 20 0 BFADLO COc1c(F)cc(C[N@@H+]2CC[C@H]2C)cc1F ZINC001138422128 990945027 /nfs/dbraw/zinc/94/50/27/990945027.db2.gz ZCIWSAYFRZJXPW-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(F)cc(C[N@H+]2CC[C@H]2C)cc1F ZINC001138422128 990945035 /nfs/dbraw/zinc/94/50/35/990945035.db2.gz ZCIWSAYFRZJXPW-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO CCc1[nH]c(CNC(=O)CC2CCCCC2)c[nH+]1 ZINC001558494493 990949996 /nfs/dbraw/zinc/94/99/96/990949996.db2.gz LBKOWYLXWAZRFI-UHFFFAOYSA-N 1 2 249.358 2.559 20 0 BFADLO CCc1[nH]cc(CNC(=O)CC2CCCCC2)[nH+]1 ZINC001558494493 990949997 /nfs/dbraw/zinc/94/99/97/990949997.db2.gz LBKOWYLXWAZRFI-UHFFFAOYSA-N 1 2 249.358 2.559 20 0 BFADLO Cc1[nH]nc(CNc2ccc3[nH]c[nH+]c3c2)c1C ZINC001308398869 990985078 /nfs/dbraw/zinc/98/50/78/990985078.db2.gz NIFXYMAILDBFKX-UHFFFAOYSA-N 1 2 241.298 2.515 20 0 BFADLO COCC1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001138669818 991001363 /nfs/dbraw/zinc/00/13/63/991001363.db2.gz AEWSOQMWAWQHRU-UHFFFAOYSA-N 1 2 243.709 2.557 20 0 BFADLO CCCCOc1cccc(C[NH+]2CC(OC)C2)c1 ZINC001138954119 991113745 /nfs/dbraw/zinc/11/37/45/991113745.db2.gz IQUZLCLWMXHANH-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[NH+]1CC(C)(OC)C1 ZINC001138995585 991118545 /nfs/dbraw/zinc/11/85/45/991118545.db2.gz PMUVBTLSMNAVOX-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Clc1ccnc(C[NH+]2CC3(CCC3)C2)c1 ZINC001139559533 991271567 /nfs/dbraw/zinc/27/15/67/991271567.db2.gz INLAVCVJZAZUPC-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC001139599995 991279403 /nfs/dbraw/zinc/27/94/03/991279403.db2.gz LAFRLLANQAGGON-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC001139599995 991279411 /nfs/dbraw/zinc/27/94/11/991279411.db2.gz LAFRLLANQAGGON-CYBMUJFWSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1ccccc1Cc1nnc([C@H](C)[NH+](C)C)o1 ZINC001258411468 991352757 /nfs/dbraw/zinc/35/27/57/991352757.db2.gz QHZHACXOCKCXGT-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO CCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CC1 ZINC001258429754 991359387 /nfs/dbraw/zinc/35/93/87/991359387.db2.gz BWDGIFYIPSCGNI-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1ccccc1C(F)F ZINC001139795282 991372528 /nfs/dbraw/zinc/37/25/28/991372528.db2.gz DDBLAQOZDDZIIN-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1ccccc1C(F)F ZINC001139795282 991372534 /nfs/dbraw/zinc/37/25/34/991372534.db2.gz DDBLAQOZDDZIIN-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2ccn(C)n2)c1 ZINC001560219294 991421400 /nfs/dbraw/zinc/42/14/00/991421400.db2.gz VPGFWDBZDPFUQZ-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2ccn(C)n2)c1 ZINC001560219294 991421407 /nfs/dbraw/zinc/42/14/07/991421407.db2.gz VPGFWDBZDPFUQZ-UHFFFAOYSA-N 1 2 243.354 2.615 20 0 BFADLO COCCCCC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001560219899 991421951 /nfs/dbraw/zinc/42/19/51/991421951.db2.gz XBZGTWQVJDEUOV-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO COCCCCC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001560219899 991421958 /nfs/dbraw/zinc/42/19/58/991421958.db2.gz XBZGTWQVJDEUOV-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CC1(C)CC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258602509 991507297 /nfs/dbraw/zinc/50/72/97/991507297.db2.gz LWMRPNKCIRSYIR-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO CC1(C)CC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258602509 991507306 /nfs/dbraw/zinc/50/73/06/991507306.db2.gz LWMRPNKCIRSYIR-SNVBAGLBSA-N 1 2 233.302 2.533 20 0 BFADLO Oc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)c(F)c1 ZINC001140124197 991523098 /nfs/dbraw/zinc/52/30/98/991523098.db2.gz DXNJUNNJEJSVMK-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO Oc1ccc(C[N@H+]2CCCC[C@@H](F)C2)c(F)c1 ZINC001140124197 991523105 /nfs/dbraw/zinc/52/31/05/991523105.db2.gz DXNJUNNJEJSVMK-LLVKDONJSA-N 1 2 241.281 2.855 20 0 BFADLO COC1CC(CNc2c[nH+]c3c(c2)CCCC3)C1 ZINC001560753030 991589609 /nfs/dbraw/zinc/58/96/09/991589609.db2.gz TXFCIEQWGWPFPK-UHFFFAOYSA-N 1 2 246.354 2.797 20 0 BFADLO CC(C)[N@@H+]1CC[C@H]1c1nnc(CC2CCCC2)o1 ZINC001258655677 991590862 /nfs/dbraw/zinc/59/08/62/991590862.db2.gz PSZIJWLQWRLZNH-LBPRGKRZSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)[N@H+]1CC[C@H]1c1nnc(CC2CCCC2)o1 ZINC001258655677 991590864 /nfs/dbraw/zinc/59/08/64/991590864.db2.gz PSZIJWLQWRLZNH-LBPRGKRZSA-N 1 2 249.358 2.958 20 0 BFADLO Cc1ccc2n[nH]c(C[N@@H+]3CCC[C@@H](F)C3)c2c1 ZINC001140330832 991610848 /nfs/dbraw/zinc/61/08/48/991610848.db2.gz MGTFYKVYCSUSKS-LLVKDONJSA-N 1 2 247.317 2.805 20 0 BFADLO Cc1ccc2n[nH]c(C[N@H+]3CCC[C@@H](F)C3)c2c1 ZINC001140330832 991610855 /nfs/dbraw/zinc/61/08/55/991610855.db2.gz MGTFYKVYCSUSKS-LLVKDONJSA-N 1 2 247.317 2.805 20 0 BFADLO CCCOC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001203030803 991626028 /nfs/dbraw/zinc/62/60/28/991626028.db2.gz RUEYXVCZBBRQGB-UHFFFAOYSA-N 1 2 245.366 2.786 20 0 BFADLO CO[C@H](C)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC001560922073 991652259 /nfs/dbraw/zinc/65/22/59/991652259.db2.gz JBLXEXMPCYLBMG-SECBINFHSA-N 1 2 247.260 2.542 20 0 BFADLO C[N@H+](Cc1c(F)cc(F)cc1F)C1CC1 ZINC001140529871 991659362 /nfs/dbraw/zinc/65/93/62/991659362.db2.gz KJAJSJCWTCYLRQ-UHFFFAOYSA-N 1 2 215.218 2.698 20 0 BFADLO C[N@@H+](Cc1c(F)cc(F)cc1F)C1CC1 ZINC001140529871 991659369 /nfs/dbraw/zinc/65/93/69/991659369.db2.gz KJAJSJCWTCYLRQ-UHFFFAOYSA-N 1 2 215.218 2.698 20 0 BFADLO Fc1cc(F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC001140529638 991662401 /nfs/dbraw/zinc/66/24/01/991662401.db2.gz GNUXIOVVADPFIO-OCAPTIKFSA-N 1 2 227.229 2.556 20 0 BFADLO Fc1cc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC001140529638 991662402 /nfs/dbraw/zinc/66/24/02/991662402.db2.gz GNUXIOVVADPFIO-OCAPTIKFSA-N 1 2 227.229 2.556 20 0 BFADLO Fc1cccc(C[NH+]2CC=CC2)c1Cl ZINC001140560020 991670867 /nfs/dbraw/zinc/67/08/67/991670867.db2.gz HQLNFNABYXNQFV-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO CCCC[C@@H](CCC)[NH2+]C1(C(=O)OC)CC1 ZINC001258753281 991697404 /nfs/dbraw/zinc/69/74/04/991697404.db2.gz YGRPOBAHZPVDGJ-LLVKDONJSA-N 1 2 227.348 2.641 20 0 BFADLO CCCC[C@@H](CCC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258767855 991732659 /nfs/dbraw/zinc/73/26/59/991732659.db2.gz YFKRLZILHPSTFP-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO CCCC[C@@H](CCC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258767855 991732668 /nfs/dbraw/zinc/73/26/68/991732668.db2.gz YFKRLZILHPSTFP-VXGBXAGGSA-N 1 2 229.339 2.958 20 0 BFADLO C[C@@H](C(=O)N[C@H]1CCCCC1(C)C)n1cc[nH+]c1 ZINC001319255548 991826738 /nfs/dbraw/zinc/82/67/38/991826738.db2.gz WYRVDHODCCBQCQ-RYUDHWBXSA-N 1 2 249.358 2.529 20 0 BFADLO CCC[C@@H](C)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001320197844 992127548 /nfs/dbraw/zinc/12/75/48/992127548.db2.gz FRICDEKTXMQUPE-NXEZZACHSA-N 1 2 234.303 2.779 20 0 BFADLO C[NH+](C)Cc1nnc(C2[C@H]3CCCCCC[C@H]23)o1 ZINC001261835848 992530166 /nfs/dbraw/zinc/53/01/66/992530166.db2.gz HYXQFHNCPBSTMI-QWRGUYRKSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cccnc1C[NH2+]Cc1cc(C2CC2)no1 ZINC001262106599 992676204 /nfs/dbraw/zinc/67/62/04/992676204.db2.gz JBDHKWKXCYKRSX-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO C[NH2+]CC(=O)O[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC001573895484 992753948 /nfs/dbraw/zinc/75/39/48/992753948.db2.gz MJOMVGUWCATAIP-UONOGXRCSA-N 1 2 247.338 2.634 20 0 BFADLO CCc1ccc(N2CCC(O)(C(C)C)CC2)[nH+]c1 ZINC001262725760 993055224 /nfs/dbraw/zinc/05/52/24/993055224.db2.gz JGFLOADKRRJGLU-UHFFFAOYSA-N 1 2 248.370 2.631 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001262805101 993068721 /nfs/dbraw/zinc/06/87/21/993068721.db2.gz DYNDLMOVUJNQKQ-ZWNOBZJWSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC001262805098 993068774 /nfs/dbraw/zinc/06/87/74/993068774.db2.gz DYNDLMOVUJNQKQ-GWCFXTLKSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H](C)CC(C)C ZINC001262805225 993069662 /nfs/dbraw/zinc/06/96/62/993069662.db2.gz JEFHQBHYNNLAHV-SNVBAGLBSA-N 1 2 234.343 2.741 20 0 BFADLO CCC[C@H]([NH2+][C@H](CC)c1cn[nH]n1)C1CCC1 ZINC001576361361 993276789 /nfs/dbraw/zinc/27/67/89/993276789.db2.gz DFEVYCWHSNUIGZ-NEPJUHHUSA-N 1 2 236.363 2.814 20 0 BFADLO CCC[C@H]([NH2+][C@H](CC)c1c[nH]nn1)C1CCC1 ZINC001576361361 993276797 /nfs/dbraw/zinc/27/67/97/993276797.db2.gz DFEVYCWHSNUIGZ-NEPJUHHUSA-N 1 2 236.363 2.814 20 0 BFADLO CCCOC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000381080800 993369411 /nfs/dbraw/zinc/36/94/11/993369411.db2.gz HWJGDUGODDOFDC-UHFFFAOYSA-N 1 2 245.282 2.831 20 0 BFADLO C/C=C(\CC)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001263542462 993377865 /nfs/dbraw/zinc/37/78/65/993377865.db2.gz IELBQNYPHNNYAM-VZUCSPMQSA-N 1 2 236.315 2.518 20 0 BFADLO CN(C)c1ccc(Nc2cc(F)ccc2N)c[nH+]1 ZINC000387166665 993700599 /nfs/dbraw/zinc/70/05/99/993700599.db2.gz GJXZNTGFAJLEOS-UHFFFAOYSA-N 1 2 246.289 2.613 20 0 BFADLO CN(C)c1ccc(Nc2ccccc2C#N)c[nH+]1 ZINC000387179525 993701866 /nfs/dbraw/zinc/70/18/66/993701866.db2.gz JXVOWSXLUCTQQV-UHFFFAOYSA-N 1 2 238.294 2.763 20 0 BFADLO COc1cc[nH+]cc1NCCC(C)(C)C ZINC000389980960 993770611 /nfs/dbraw/zinc/77/06/11/993770611.db2.gz IVZZKRPJJNMEIX-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO CCCn1c[nH+]c(Cc2ccccc2OC)c1 ZINC001307408281 995348006 /nfs/dbraw/zinc/34/80/06/995348006.db2.gz WDWXORORPDEXMU-UHFFFAOYSA-N 1 2 230.311 2.893 20 0 BFADLO FC(F)(F)c1coc(Cn2cc[nH+]c2)c1 ZINC001307538540 995399175 /nfs/dbraw/zinc/39/91/75/995399175.db2.gz ICFWBSNZLFRUCM-UHFFFAOYSA-N 1 2 216.162 2.543 20 0 BFADLO c1ccc(NCc2cccc3nsnc32)[nH+]c1 ZINC001308212235 995597781 /nfs/dbraw/zinc/59/77/81/995597781.db2.gz WKVBVQWQXFSTFC-UHFFFAOYSA-N 1 2 242.307 2.698 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1C=CCCC1 ZINC000576240861 365524508 /nfs/dbraw/zinc/52/45/08/365524508.db2.gz MEUBIIQCLTUOCW-NSHDSACASA-N 1 2 203.289 2.614 20 0 BFADLO C[C@H]([NH2+][C@H]1CCCc2cccnc21)C(F)F ZINC000389951324 398151144 /nfs/dbraw/zinc/15/11/44/398151144.db2.gz SUZIJBCJYXDEQZ-WPRPVWTQSA-N 1 2 226.270 2.702 20 0 BFADLO Cc1sccc1C[NH2+][C@H](C)C(F)F ZINC000389939520 398153330 /nfs/dbraw/zinc/15/33/30/398153330.db2.gz LYOKHILAXZETQQ-ZCFIWIBFSA-N 1 2 205.273 2.800 20 0 BFADLO CCC(CC)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000365695862 168335549 /nfs/dbraw/zinc/33/55/49/168335549.db2.gz QUOHKRVCDYWPSV-LLVKDONJSA-N 1 2 235.331 2.509 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1cscn1 ZINC000424204385 398174921 /nfs/dbraw/zinc/17/49/21/398174921.db2.gz VRBUMSBKZNZVNM-CHWSQXEVSA-N 1 2 248.326 2.870 20 0 BFADLO CC(C)(O)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000274799354 398164203 /nfs/dbraw/zinc/16/42/03/398164203.db2.gz UPJNLRPFINIRFH-UHFFFAOYSA-N 1 2 248.248 2.673 20 0 BFADLO Cc1cc(Cl)nc(CNc2cc[nH+]c(C)n2)c1 ZINC000281808653 178071478 /nfs/dbraw/zinc/07/14/78/178071478.db2.gz GRTJPFKQAGSDDZ-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+]CC1CC1 ZINC000036934956 178095488 /nfs/dbraw/zinc/09/54/88/178095488.db2.gz FWPKHUSSKDRXHI-UHFFFAOYSA-N 1 2 204.317 2.883 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC1CC1 ZINC000036934956 178095490 /nfs/dbraw/zinc/09/54/90/178095490.db2.gz FWPKHUSSKDRXHI-UHFFFAOYSA-N 1 2 204.317 2.883 20 0 BFADLO Cc1cc(N(C)C2CCCCC2)nc[nH+]1 ZINC000097075502 178096200 /nfs/dbraw/zinc/09/62/00/178096200.db2.gz NDNLOGOGDGJJSD-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO CC1(C)[C@@H]2C[N@@H+](CC(=O)c3ccccc3F)C[C@@H]21 ZINC000380378784 398194478 /nfs/dbraw/zinc/19/44/78/398194478.db2.gz HMSSRKDPBCMSJB-TXEJJXNPSA-N 1 2 247.313 2.596 20 0 BFADLO CC1(C)[C@@H]2C[N@H+](CC(=O)c3ccccc3F)C[C@@H]21 ZINC000380378784 398194482 /nfs/dbraw/zinc/19/44/82/398194482.db2.gz HMSSRKDPBCMSJB-TXEJJXNPSA-N 1 2 247.313 2.596 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@]3(C)C[C@H]3F)cc2[nH+]1 ZINC000424568557 398194895 /nfs/dbraw/zinc/19/48/95/398194895.db2.gz RRYOFAVKKUIADB-YPMHNXCESA-N 1 2 247.273 2.558 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CC1(C)C ZINC000625565254 398200250 /nfs/dbraw/zinc/20/02/50/398200250.db2.gz NQBAFVHXHGDORG-NSHDSACASA-N 1 2 249.358 2.815 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)C[C@@H]1CC1(C)C ZINC000625565254 398200254 /nfs/dbraw/zinc/20/02/54/398200254.db2.gz NQBAFVHXHGDORG-NSHDSACASA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc(N2CCC[C@H]2C2CCCC2)nc[nH+]1 ZINC000301225645 178116131 /nfs/dbraw/zinc/11/61/31/178116131.db2.gz FRLIOYJUELDFKE-ZDUSSCGKSA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc(N2CC[C@@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000247089037 178117903 /nfs/dbraw/zinc/11/79/03/178117903.db2.gz VSDOTPHMDMLDKT-MWLCHTKSSA-N 1 2 231.343 2.897 20 0 BFADLO Cc1cc(NC(=O)CC[C@@H]2CCCCO2)cc[nH+]1 ZINC000111546661 178127762 /nfs/dbraw/zinc/12/77/62/178127762.db2.gz JVPSGXXRPRGAPW-ZDUSSCGKSA-N 1 2 248.326 2.678 20 0 BFADLO Cc1cc(NC(=O)CCCOC(C)C)cc[nH+]1 ZINC000183263321 178128068 /nfs/dbraw/zinc/12/80/68/178128068.db2.gz LTPVNGCYVAQKDS-UHFFFAOYSA-N 1 2 236.315 2.534 20 0 BFADLO Cc1cc(NC(=O)N2CCCC3(CC3)C2)cc[nH+]1 ZINC000184579529 178136169 /nfs/dbraw/zinc/13/61/69/178136169.db2.gz NYSIXTXYIMJKFR-UHFFFAOYSA-N 1 2 245.326 2.798 20 0 BFADLO Cc1cc(NC(=O)N2CC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000119700448 178136817 /nfs/dbraw/zinc/13/68/17/178136817.db2.gz RVQNLDGVNFWLRI-ONGXEEELSA-N 1 2 233.315 2.652 20 0 BFADLO Cc1cc(NC(=O)N2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000119142789 178137144 /nfs/dbraw/zinc/13/71/44/178137144.db2.gz QSUSDGWMXWOEBW-PHIMTYICSA-N 1 2 247.342 2.900 20 0 BFADLO Cc1cc(NC(=O)NC2CCCCC2)cc[nH+]1 ZINC000074921608 178139899 /nfs/dbraw/zinc/13/98/99/178139899.db2.gz DGAGGBURZPLQMK-UHFFFAOYSA-N 1 2 233.315 2.844 20 0 BFADLO Cc1cc(NC(=O)N[C@@H](C)CC(C)C)cc[nH+]1 ZINC000119308659 178140601 /nfs/dbraw/zinc/14/06/01/178140601.db2.gz KXDWKHVTXTTYMW-NSHDSACASA-N 1 2 235.331 2.946 20 0 BFADLO Cc1cc(NC(=O)c2ocnc2C2CC2)cc[nH+]1 ZINC000289333178 178152822 /nfs/dbraw/zinc/15/28/22/178152822.db2.gz VYEWLPLBXPEHOE-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO Cc1cc(NC2CCC(OC(C)C)CC2)nc[nH+]1 ZINC000130064492 178154249 /nfs/dbraw/zinc/15/42/49/178154249.db2.gz GYPDEHCDYMSWEP-UHFFFAOYSA-N 1 2 249.358 2.933 20 0 BFADLO Cc1cc(NCC23CCC(CC2)C3)nc[nH+]1 ZINC000309707396 178156817 /nfs/dbraw/zinc/15/68/17/178156817.db2.gz PECNWARLGCULBH-UHFFFAOYSA-N 1 2 217.316 2.777 20 0 BFADLO Cc1cc(NCCSC(C)(C)C)nc[nH+]1 ZINC000301264143 178162375 /nfs/dbraw/zinc/16/23/75/178162375.db2.gz PDEROVBEMDXGGW-UHFFFAOYSA-N 1 2 225.361 2.729 20 0 BFADLO Cc1noc(C)c1[C@H](C)CNc1cc(C)[nH+]cn1 ZINC000129418214 178164680 /nfs/dbraw/zinc/16/46/80/178164680.db2.gz OQVDSGYAZORMGY-MRVPVSSYSA-N 1 2 246.314 2.605 20 0 BFADLO Cc1cc(NC[C@@](C)(O)C2CCCCC2)nc[nH+]1 ZINC000302710711 178166497 /nfs/dbraw/zinc/16/64/97/178166497.db2.gz KOKOCLWEQVIEBL-CQSZACIVSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(NC[C@@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000301519870 178166727 /nfs/dbraw/zinc/16/67/27/178166727.db2.gz HKJCNFXNDGSVIR-GXTWGEPZSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1cc(NC[C@@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000301519872 178166751 /nfs/dbraw/zinc/16/67/51/178166751.db2.gz HKJCNFXNDGSVIR-JSGCOSHPSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1cc(NC[C@@]2(O)CCCC(C)(C)C2)nc[nH+]1 ZINC000302501956 178167688 /nfs/dbraw/zinc/16/76/88/178167688.db2.gz PATGPMONRPTXMQ-CQSZACIVSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(NC[C@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000309701893 178168310 /nfs/dbraw/zinc/16/83/10/178168310.db2.gz MZDDQVYEFDKXOO-VIFPVBQESA-N 1 2 227.258 2.632 20 0 BFADLO Cc1cc(NC[C@H]2CCCO[C@@H]2C(C)C)nc[nH+]1 ZINC000301519875 178169942 /nfs/dbraw/zinc/16/99/42/178169942.db2.gz HKJCNFXNDGSVIR-TZMCWYRMSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1cc(CNc2cc(C)[nH+]cn2)c(C)o1 ZINC000301292811 178170954 /nfs/dbraw/zinc/17/09/54/178170954.db2.gz QYFYFEHWYUONDC-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cc(NCc2ccc(F)c(F)c2)nc[nH+]1 ZINC000049577885 178171296 /nfs/dbraw/zinc/17/12/96/178171296.db2.gz NEWHRSNQGYIKNA-UHFFFAOYSA-N 1 2 235.237 2.675 20 0 BFADLO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000035238228 178179378 /nfs/dbraw/zinc/17/93/78/178179378.db2.gz GASLCZJNCIQSTL-RYUDHWBXSA-N 1 2 249.358 2.888 20 0 BFADLO Cn1cc[nH+]c1CN1CCc2ccc(Cl)cc21 ZINC000263953900 398223119 /nfs/dbraw/zinc/22/31/19/398223119.db2.gz GDXCIUQQSLJOHN-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO Cc1cc(N[C@@H]2CCCc3c2cnn3C)cc[nH+]1 ZINC000274840489 178181616 /nfs/dbraw/zinc/18/16/16/178181616.db2.gz VIZZRDZQUULQSH-CYBMUJFWSA-N 1 2 242.326 2.613 20 0 BFADLO Cc1cc(N[C@@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000266199182 178182478 /nfs/dbraw/zinc/18/24/78/178182478.db2.gz DAOLKYHBAKFARO-SNVBAGLBSA-N 1 2 235.356 2.580 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000302028974 178183168 /nfs/dbraw/zinc/18/31/68/178183168.db2.gz JBJIWERNIRWYCW-CMPLNLGQSA-N 1 2 249.358 2.745 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C)nc(-c2cccnc2)[nH+]1 ZINC000263921676 178183760 /nfs/dbraw/zinc/18/37/60/178183760.db2.gz UXNVXCLOEBVUOE-BXKDBHETSA-N 1 2 240.310 2.667 20 0 BFADLO Cc1cc(N[C@@H]2c3ccccc3O[C@@H]2C)nc[nH+]1 ZINC000341074525 178183998 /nfs/dbraw/zinc/18/39/98/178183998.db2.gz UMVLRRDIWSKUAA-YGRLFVJLSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1cc(N[C@@H]2c3ccccc3O[C@H]2C)nc[nH+]1 ZINC000341074510 178184652 /nfs/dbraw/zinc/18/46/52/178184652.db2.gz UMVLRRDIWSKUAA-HZMBPMFUSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1cc(N[C@H]2CCn3cc[nH+]c32)ccc1F ZINC000294144963 178189710 /nfs/dbraw/zinc/18/97/10/178189710.db2.gz PREDCWMLRHSYGK-LBPRGKRZSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000271377710 178190026 /nfs/dbraw/zinc/19/00/26/178190026.db2.gz JQHPVRHDTNRVHJ-JQWIXIFHSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1cc(N[C@H]2CCO[C@H](CC(C)C)C2)nc[nH+]1 ZINC000346206059 178191135 /nfs/dbraw/zinc/19/11/35/178191135.db2.gz IGTPUTYVZFFRNN-QWHCGFSZSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(N[C@H]2c3ccccc3O[C@@H]2C)nc[nH+]1 ZINC000341074522 178192517 /nfs/dbraw/zinc/19/25/17/178192517.db2.gz UMVLRRDIWSKUAA-QMTHXVAHSA-N 1 2 241.294 2.719 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2scnc2C)no1 ZINC000330364517 178229657 /nfs/dbraw/zinc/22/96/57/178229657.db2.gz QCUMTEQOUUFRRN-MRVPVSSYSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc(NC(=O)N2CCCC2(C)C)cc[nH+]1 ZINC000179811272 259305184 /nfs/dbraw/zinc/30/51/84/259305184.db2.gz FRIUVAOFNUUKGK-UHFFFAOYSA-N 1 2 233.315 2.796 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)no1 ZINC000283675668 178231332 /nfs/dbraw/zinc/23/13/32/178231332.db2.gz YQIBOQRNDCFYLG-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO C[C@H](NCc1nc(C2CC2)cs1)c1[nH]cc[nH+]1 ZINC000279113945 538935681 /nfs/dbraw/zinc/93/56/81/538935681.db2.gz WMYYYIYHOWQPKQ-QMMMGPOBSA-N 1 2 248.355 2.594 20 0 BFADLO COc1cc(C)c(-c2c[nH+]cn2C)cc1C ZINC000649439342 398237691 /nfs/dbraw/zinc/23/76/91/398237691.db2.gz UETNXNKASWJJFA-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO Cc1cc(N[C@H]2CCC2(C)C)nc(C(C)C)[nH+]1 ZINC000336714588 398241255 /nfs/dbraw/zinc/24/12/55/398241255.db2.gz SAGFIUZRKJUOPF-NSHDSACASA-N 1 2 233.359 2.931 20 0 BFADLO c1cc(-c2cc[nH+]c(N3CCOCC3)c2)cs1 ZINC000649442433 398247970 /nfs/dbraw/zinc/24/79/70/398247970.db2.gz NXXMOYOWTCQDCN-UHFFFAOYSA-N 1 2 246.335 2.647 20 0 BFADLO Cc1[nH+]c2cc(-c3cnn(C)c3C)ccc2n1C ZINC000649443730 398245359 /nfs/dbraw/zinc/24/53/59/398245359.db2.gz JULIWGHSUWBCQT-UHFFFAOYSA-N 1 2 240.310 2.591 20 0 BFADLO CC(C)([NH2+]CC(F)F)c1cccc(F)c1 ZINC000179576855 538955358 /nfs/dbraw/zinc/95/53/58/538955358.db2.gz AOMGWDAFOXWFPU-UHFFFAOYSA-N 1 2 217.234 2.916 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334666484 398272803 /nfs/dbraw/zinc/27/28/03/398272803.db2.gz SJACDNLDXPGRRX-QMTHXVAHSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)o1 ZINC000602553033 349594460 /nfs/dbraw/zinc/59/44/60/349594460.db2.gz FHRUEBXGSXWJMN-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CCOC(=O)C(C)(C)[NH2+]Cc1ccccc1CC ZINC000188941621 346852148 /nfs/dbraw/zinc/85/21/48/346852148.db2.gz HXERSCPCSNQQJG-UHFFFAOYSA-N 1 2 249.354 2.680 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cc2n(n1)CCC2 ZINC000649478643 398276360 /nfs/dbraw/zinc/27/63/60/398276360.db2.gz LUYIDWQYZUQRNW-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cc2n(n1)CCC2 ZINC000649478643 398276362 /nfs/dbraw/zinc/27/63/62/398276362.db2.gz LUYIDWQYZUQRNW-UHFFFAOYSA-N 1 2 247.367 2.523 20 0 BFADLO FCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000626178578 346858042 /nfs/dbraw/zinc/85/80/42/346858042.db2.gz ZLWVVBBTCBPZDG-UHFFFAOYSA-N 1 2 229.245 2.903 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)on1 ZINC000044591011 342690741 /nfs/dbraw/zinc/69/07/41/342690741.db2.gz BASRDIQPRBVXRR-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)on1 ZINC000044591011 342690742 /nfs/dbraw/zinc/69/07/42/342690742.db2.gz BASRDIQPRBVXRR-ZDUSSCGKSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1csc([C@@H](C)Nc2cc[nH+]c(C)n2)n1 ZINC000070734117 342698010 /nfs/dbraw/zinc/69/80/10/342698010.db2.gz RWPGDSKJCMLTEO-MRVPVSSYSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(F)F ZINC000184769765 538969765 /nfs/dbraw/zinc/96/97/65/538969765.db2.gz SUSDQMDYKHUZIR-QMMMGPOBSA-N 1 2 245.317 2.862 20 0 BFADLO c1[nH]cc(NC[C@@H]2C[C@@H]2c2ccccc2)[nH+]1 ZINC000309684218 342787710 /nfs/dbraw/zinc/78/77/10/342787710.db2.gz NUKYGRCKAIIMFE-NWDGAFQWSA-N 1 2 213.284 2.625 20 0 BFADLO c1[nH]cc(NC[C@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000309684208 342787737 /nfs/dbraw/zinc/78/77/37/342787737.db2.gz NUKYGRCKAIIMFE-NEPJUHHUSA-N 1 2 213.284 2.625 20 0 BFADLO CCC(C)(CC)C(=O)Nc1c[nH+]ccc1OC ZINC000185353819 538970422 /nfs/dbraw/zinc/97/04/22/538970422.db2.gz QNQCBFXHWSXDOQ-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO C[C@]1(CNc2cccc[nH+]2)C[C@H]2C[C@H]2C1 ZINC000624656186 342810056 /nfs/dbraw/zinc/81/00/56/342810056.db2.gz IISMHYRGALFIFU-PJXYFTJBSA-N 1 2 202.301 2.930 20 0 BFADLO CCC(CC)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000372908259 168392800 /nfs/dbraw/zinc/39/28/00/168392800.db2.gz SOHJKLCCZXSIFE-CYBMUJFWSA-N 1 2 244.342 2.672 20 0 BFADLO CN(C)c1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630050269 361913212 /nfs/dbraw/zinc/91/32/12/361913212.db2.gz DJEAJGONQZGLPX-UHFFFAOYSA-N 1 2 241.338 2.952 20 0 BFADLO Cc1cnccc1-c1c[nH+]c2n1CCCC2 ZINC000630051179 361914886 /nfs/dbraw/zinc/91/48/86/361914886.db2.gz MKHPAGTWVLSWKW-UHFFFAOYSA-N 1 2 213.284 2.590 20 0 BFADLO COC(C)(C)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000630051945 361917563 /nfs/dbraw/zinc/91/75/63/361917563.db2.gz FYWKFKLSNBAHMZ-UHFFFAOYSA-N 1 2 230.311 2.969 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)OCC2(C)C ZINC000630053189 361922369 /nfs/dbraw/zinc/92/23/69/361922369.db2.gz QIJPNIUAUQFOKE-UHFFFAOYSA-N 1 2 228.295 2.757 20 0 BFADLO CCC(CC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000264329654 168394450 /nfs/dbraw/zinc/39/44/50/168394450.db2.gz JWOBNXLAJQEYCT-UHFFFAOYSA-N 1 2 234.347 2.677 20 0 BFADLO CCC(CC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000264329654 168394452 /nfs/dbraw/zinc/39/44/52/168394452.db2.gz JWOBNXLAJQEYCT-UHFFFAOYSA-N 1 2 234.347 2.677 20 0 BFADLO CN(CCCCCO)c1[nH+]ccc2ccccc21 ZINC000227110269 342834509 /nfs/dbraw/zinc/83/45/09/342834509.db2.gz JQNKZYVMXFBBQW-UHFFFAOYSA-N 1 2 244.338 2.834 20 0 BFADLO Cc1cocc1-c1c[nH+]c2n1CCCC2 ZINC000630053914 361924764 /nfs/dbraw/zinc/92/47/64/361924764.db2.gz XUZLRSMUQSMHTQ-UHFFFAOYSA-N 1 2 202.257 2.788 20 0 BFADLO Clc1cc2c(c(C[NH+]3CC4(CC4)C3)c1)OCC2 ZINC000449369585 398291814 /nfs/dbraw/zinc/29/18/14/398291814.db2.gz DZPFIZQDPJWETC-UHFFFAOYSA-N 1 2 249.741 2.871 20 0 BFADLO C[C@@H](C1CC1)[N@H+](C)Cc1noc(C2CCC2)n1 ZINC000625060665 342847371 /nfs/dbraw/zinc/84/73/71/342847371.db2.gz JGUVWRGEYWFXJE-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H](C1CC1)[N@@H+](C)Cc1noc(C2CCC2)n1 ZINC000625060665 342847372 /nfs/dbraw/zinc/84/73/72/342847372.db2.gz JGUVWRGEYWFXJE-VIFPVBQESA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625066713 342848077 /nfs/dbraw/zinc/84/80/77/342848077.db2.gz WYHDARPIUIGWRD-PHIMTYICSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2noc(C3CCC3)n2)C1 ZINC000625066713 342848079 /nfs/dbraw/zinc/84/80/79/342848079.db2.gz WYHDARPIUIGWRD-PHIMTYICSA-N 1 2 249.358 2.815 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)CC(C)C ZINC000625079459 342849555 /nfs/dbraw/zinc/84/95/55/342849555.db2.gz YVENUHYIJSRQQM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)CC(C)C ZINC000625079459 342849556 /nfs/dbraw/zinc/84/95/56/342849556.db2.gz YVENUHYIJSRQQM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2[C@@H](C)C2(F)F)c(C)[nH+]1 ZINC000336474932 398319231 /nfs/dbraw/zinc/31/92/31/398319231.db2.gz MLIPMMKOJDCLCS-GMSGAONNSA-N 1 2 240.253 2.538 20 0 BFADLO C[N@H+](Cc1noc(C2CCC2)n1)CC(C)(C)C ZINC000625135618 342886983 /nfs/dbraw/zinc/88/69/83/342886983.db2.gz ZURCJAPHDDHLRM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO C[N@@H+](Cc1noc(C2CCC2)n1)CC(C)(C)C ZINC000625135618 342886985 /nfs/dbraw/zinc/88/69/85/342886985.db2.gz ZURCJAPHDDHLRM-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625140575 342889017 /nfs/dbraw/zinc/88/90/17/342889017.db2.gz WNMUTRQHSFQDOJ-LLVKDONJSA-N 1 2 235.331 2.712 20 0 BFADLO CC[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625140575 342889019 /nfs/dbraw/zinc/88/90/19/342889019.db2.gz WNMUTRQHSFQDOJ-LLVKDONJSA-N 1 2 235.331 2.712 20 0 BFADLO Cn1cc[nH+]c1CNc1ccccc1Cl ZINC000036804388 342911745 /nfs/dbraw/zinc/91/17/45/342911745.db2.gz ZYRYHJOPGMEFRY-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO CC[N@H+](Cc1noc(C2CCC2)n1)C1CCC1 ZINC000625179416 342902425 /nfs/dbraw/zinc/90/24/25/342902425.db2.gz IYJQMAIXVDUAEE-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC[N@@H+](Cc1noc(C2CCC2)n1)C1CCC1 ZINC000625179416 342902426 /nfs/dbraw/zinc/90/24/26/342902426.db2.gz IYJQMAIXVDUAEE-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO COC[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354880078 398331214 /nfs/dbraw/zinc/33/12/14/398331214.db2.gz ONXWDAMPYUBZCO-VIFPVBQESA-N 1 2 234.274 2.821 20 0 BFADLO CC[C@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000127273448 398339671 /nfs/dbraw/zinc/33/96/71/398339671.db2.gz QAFGREADEVAEHI-LBPRGKRZSA-N 1 2 230.311 2.808 20 0 BFADLO CCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000130115199 398340447 /nfs/dbraw/zinc/34/04/47/398340447.db2.gz HWVNQXWVSWHCRZ-UHFFFAOYSA-N 1 2 221.304 2.620 20 0 BFADLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)c1ccccc1 ZINC000227840383 398340541 /nfs/dbraw/zinc/34/05/41/398340541.db2.gz FCAOTKWGIDHSNT-MRVPVSSYSA-N 1 2 248.717 2.885 20 0 BFADLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)c1ccccc1 ZINC000227840383 398340542 /nfs/dbraw/zinc/34/05/42/398340542.db2.gz FCAOTKWGIDHSNT-MRVPVSSYSA-N 1 2 248.717 2.885 20 0 BFADLO COC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019885340 342961480 /nfs/dbraw/zinc/96/14/80/342961480.db2.gz WDQCBAMXJZKBHD-NSHDSACASA-N 1 2 243.306 2.663 20 0 BFADLO COC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019885342 342961499 /nfs/dbraw/zinc/96/14/99/342961499.db2.gz WDQCBAMXJZKBHD-LLVKDONJSA-N 1 2 243.306 2.663 20 0 BFADLO c1ccc(NCCOCC2CCCC2)[nH+]c1 ZINC000313480847 259335757 /nfs/dbraw/zinc/33/57/57/259335757.db2.gz GIDBHIPMZLKZTO-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO Cc1cccc(C[NH2+]Cc2c(F)cccc2F)n1 ZINC000048329655 342990035 /nfs/dbraw/zinc/99/00/35/342990035.db2.gz YPYIJYZMHQOIAF-UHFFFAOYSA-N 1 2 248.276 2.958 20 0 BFADLO CSc1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000307589247 259338751 /nfs/dbraw/zinc/33/87/51/259338751.db2.gz ZZEDGEJVGSWTBS-UHFFFAOYSA-N 1 2 225.342 2.805 20 0 BFADLO CCC[C@](C)([NH2+]Cc1cccs1)C(=O)OC ZINC000037966703 343021477 /nfs/dbraw/zinc/02/14/77/343021477.db2.gz HOQFGTXPWVCTSM-LBPRGKRZSA-N 1 2 241.356 2.570 20 0 BFADLO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000221182306 259345771 /nfs/dbraw/zinc/34/57/71/259345771.db2.gz DZLJGFHXNRVTFR-OUCADQQQSA-N 1 2 249.354 2.925 20 0 BFADLO Cc1cc(NC(=O)N[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000119902561 343101162 /nfs/dbraw/zinc/10/11/62/343101162.db2.gz QYXHQBDNJRTRHX-SNVBAGLBSA-N 1 2 235.331 2.946 20 0 BFADLO CC[C@](C)([NH2+]C[C@@H]1C[C@H]1C)C(F)(F)F ZINC000625258945 343125599 /nfs/dbraw/zinc/12/55/99/343125599.db2.gz WGKIBOFUUFUPAJ-VGMNWLOBSA-N 1 2 209.255 2.963 20 0 BFADLO CCC1(C(=O)NCc2cc(C)[nH+]c(C)c2)CCC1 ZINC000421576463 192354614 /nfs/dbraw/zinc/35/46/14/192354614.db2.gz MPFOOYVRHFXZQI-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO Cc1cc(CNC(=O)[C@H](C)C2CCC2)cc(C)[nH+]1 ZINC000421576646 192354664 /nfs/dbraw/zinc/35/46/64/192354664.db2.gz CWCWJMUXXFLOOQ-GFCCVEGCSA-N 1 2 246.354 2.751 20 0 BFADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H](C)C1 ZINC000122480010 343159709 /nfs/dbraw/zinc/15/97/09/343159709.db2.gz DVVMIYGHNYHTMH-ZJUUUORDSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2cncs2)s1 ZINC000122909653 343161548 /nfs/dbraw/zinc/16/15/48/343161548.db2.gz UBUDLFAZHZOQBT-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO CC[C@@H](C)C[C@@H]([NH2+]Cc1ccccc1)C(=O)OC ZINC000394452205 259354231 /nfs/dbraw/zinc/35/42/31/259354231.db2.gz GVYSJOBHHXWHMP-TZMCWYRMSA-N 1 2 249.354 2.754 20 0 BFADLO CC[C@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000125102097 343165366 /nfs/dbraw/zinc/16/53/66/343165366.db2.gz HUZHAVSPMANFBC-LBPRGKRZSA-N 1 2 230.311 2.726 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(F)(F)F ZINC000634683163 343198204 /nfs/dbraw/zinc/19/82/04/343198204.db2.gz LORBXHZFNYWBIH-IUCAKERBSA-N 1 2 239.281 2.875 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)c2ccccn2)c1 ZINC000134340555 343194384 /nfs/dbraw/zinc/19/43/84/343194384.db2.gz XSZLCEDTUCMMGB-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000625344119 343239912 /nfs/dbraw/zinc/23/99/12/343239912.db2.gz RCVVRHPFFPQKPR-CMPLNLGQSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000625344119 343239913 /nfs/dbraw/zinc/23/99/13/343239913.db2.gz RCVVRHPFFPQKPR-CMPLNLGQSA-N 1 2 247.342 2.712 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc2c1CCCC2 ZINC000036804600 343324718 /nfs/dbraw/zinc/32/47/18/343324718.db2.gz OEJUKANOXQQORH-UHFFFAOYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1cc(N[C@H](C)C2CCCC2)nc[nH+]1 ZINC000069805443 343292383 /nfs/dbraw/zinc/29/23/83/343292383.db2.gz ZAOQHUVQTWBBMV-SNVBAGLBSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccnc2)oc1C ZINC000037909392 343360472 /nfs/dbraw/zinc/36/04/72/343360472.db2.gz YQYUBOJMXAOKCF-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CCO[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000625394272 343377389 /nfs/dbraw/zinc/37/73/89/343377389.db2.gz QYBGWJDDPXZWHG-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO CCO[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000625394272 343377391 /nfs/dbraw/zinc/37/73/91/343377391.db2.gz QYBGWJDDPXZWHG-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)o1 ZINC000335665162 136316605 /nfs/dbraw/zinc/31/66/05/136316605.db2.gz CVRSPZBHWJAJGK-QMMMGPOBSA-N 1 2 217.671 2.867 20 0 BFADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)o1 ZINC000335665162 136316606 /nfs/dbraw/zinc/31/66/06/136316606.db2.gz CVRSPZBHWJAJGK-QMMMGPOBSA-N 1 2 217.671 2.867 20 0 BFADLO Cc1c[nH]c(CNc2ncc(Cl)cc2C)[nH+]1 ZINC000628289148 346937071 /nfs/dbraw/zinc/93/70/71/346937071.db2.gz BZGDWGQIKRNGHH-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO CC1=CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000335726120 136347640 /nfs/dbraw/zinc/34/76/40/136347640.db2.gz JZLXCCYPFWATSM-UHFFFAOYSA-N 1 2 217.316 2.558 20 0 BFADLO CCOc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1 ZINC000349245381 136332519 /nfs/dbraw/zinc/33/25/19/136332519.db2.gz PPTPHDZPHQCZRZ-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO COc1cccc(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000576984387 365742572 /nfs/dbraw/zinc/74/25/72/365742572.db2.gz QEYNKYPQGABDND-UHFFFAOYSA-N 1 2 245.244 2.689 20 0 BFADLO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000350519388 136361817 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243.285 2.957 20 0 BFADLO C[C@@H](CCc1ccco1)Nc1cc[nH+]cc1F ZINC000641262515 362337237 /nfs/dbraw/zinc/33/72/37/362337237.db2.gz AFMOWFWXVHAWHI-JTQLQIEISA-N 1 2 234.274 2.669 20 0 BFADLO C[C@H]1CCC[C@@H](Nc2cc(CO)cc[nH+]2)C1 ZINC000641286355 362346132 /nfs/dbraw/zinc/34/61/32/362346132.db2.gz XPXDRBUTVWUJBX-CMPLNLGQSA-N 1 2 220.316 2.565 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(CNc2cc[nH+]cc2F)o1 ZINC000641302132 362353980 /nfs/dbraw/zinc/35/39/80/362353980.db2.gz YSPQGJGFXZSLDS-KOLCDFICSA-N 1 2 246.285 2.971 20 0 BFADLO CC[C@@H](Nc1ccnc(C(C)C)n1)c1[nH]cc[nH+]1 ZINC000097104049 344163364 /nfs/dbraw/zinc/16/33/64/344163364.db2.gz KZRZOSOCUNBMTO-SNVBAGLBSA-N 1 2 245.330 2.886 20 0 BFADLO C[C@H](Cc1ccsc1)Nc1cc(CO)cc[nH+]1 ZINC000641303915 362357366 /nfs/dbraw/zinc/35/73/66/362357366.db2.gz LAQIDUMMHUDWNR-SNVBAGLBSA-N 1 2 248.351 2.679 20 0 BFADLO Cc1occc1CN(C)c1cc[nH+]cc1F ZINC000641307789 362355936 /nfs/dbraw/zinc/35/59/36/362355936.db2.gz XTLYQLQRGKUFJQ-UHFFFAOYSA-N 1 2 220.247 2.759 20 0 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ZINC000079876274 345047964 /nfs/dbraw/zinc/04/79/64/345047964.db2.gz AHXCWQBOGNBEKE-QMMMGPOBSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1ccc(N[C@@H](C)c2ccncc2)c[nH+]1 ZINC000154230776 345021757 /nfs/dbraw/zinc/02/17/57/345021757.db2.gz VRJFSYAWEUNZCI-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO Cc1cc(NCCC[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000154458783 345035767 /nfs/dbraw/zinc/03/57/67/345035767.db2.gz ZDHDDUQPMDAOFV-STQMWFEESA-N 1 2 249.358 2.528 20 0 BFADLO OCc1cc[nH+]c(N[C@H]2CC3CCC2CC3)c1 ZINC000641610264 362546287 /nfs/dbraw/zinc/54/62/87/362546287.db2.gz RFRRORHMZWWMMB-GDKBPFBDSA-N 1 2 232.327 2.565 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]cc2F)[C@H](C)C1 ZINC000641641147 362570045 /nfs/dbraw/zinc/57/00/45/362570045.db2.gz UGIZQGDNORKGMG-NXEZZACHSA-N 1 2 208.280 2.846 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CC1CCC1 ZINC000080111440 345101341 /nfs/dbraw/zinc/10/13/41/345101341.db2.gz XKRUZAGMOOCZJG-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO C[C@H](CC(C)(C)C)Nc1cc(CO)cc[nH+]1 ZINC000641626314 362555332 /nfs/dbraw/zinc/55/53/32/362555332.db2.gz IWZLZNSTYOWMKF-SNVBAGLBSA-N 1 2 222.332 2.811 20 0 BFADLO OCc1cc[nH+]c(NCC2(C3CCC3)CCC2)c1 ZINC000641625738 362558201 /nfs/dbraw/zinc/55/82/01/362558201.db2.gz WRCUVHZJVKGRMB-UHFFFAOYSA-N 1 2 246.354 2.956 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]cc2F)[C@@H](C)[C@H]1C ZINC000641636349 362566910 /nfs/dbraw/zinc/56/69/10/362566910.db2.gz GAYOFYRSYSESIJ-UTLUCORTSA-N 1 2 208.280 2.701 20 0 BFADLO CC(C)(C)c1ccncc1C[NH2+]Cc1ccon1 ZINC000634984055 345167750 /nfs/dbraw/zinc/16/77/50/345167750.db2.gz GCXLSIIEMMCBKJ-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO CCCC[C@@H](CC)CC(=O)NCc1c[nH+]c[nH]1 ZINC000359138128 345186931 /nfs/dbraw/zinc/18/69/31/345186931.db2.gz IFKQGVIQHKRZHT-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCCC[C@@H](CC)CC(=O)NCc1c[nH]c[nH+]1 ZINC000359138128 345186932 /nfs/dbraw/zinc/18/69/32/345186932.db2.gz IFKQGVIQHKRZHT-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCOCc1ccccc1C[NH2+]Cc1ccon1 ZINC000634951443 345127351 /nfs/dbraw/zinc/12/73/51/345127351.db2.gz WMJPEAHIRAAIJU-UHFFFAOYSA-N 1 2 246.310 2.501 20 0 BFADLO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccon1 ZINC000634960033 345134125 /nfs/dbraw/zinc/13/41/25/345134125.db2.gz IIGGAVLCODDOSF-ZDUSSCGKSA-N 1 2 244.294 2.515 20 0 BFADLO Cc1cc(N[C@H]2C[C@@]2(F)c2ccccc2)nc[nH+]1 ZINC000425274002 192087140 /nfs/dbraw/zinc/08/71/40/192087140.db2.gz QAGXECRHXZTOEK-GXTWGEPZSA-N 1 2 243.285 2.834 20 0 BFADLO CCCN(CC)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635247774 345284070 /nfs/dbraw/zinc/28/40/70/345284070.db2.gz WMJOVNCRBKCCQC-UHFFFAOYSA-N 1 2 245.326 2.515 20 0 BFADLO Cc1nc2[nH]ccc2c(NCc2cccs2)[nH+]1 ZINC000080762993 345450051 /nfs/dbraw/zinc/45/00/51/345450051.db2.gz SBLSWFAFRKOYKG-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO Fc1c[nH+]ccc1N1CCC(c2ccon2)CC1 ZINC000641667495 362589215 /nfs/dbraw/zinc/58/92/15/362589215.db2.gz FGZVTHJVAKHPKK-UHFFFAOYSA-N 1 2 247.273 2.593 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CCC(C)(C)C2)[nH+]1 ZINC000081019285 345461433 /nfs/dbraw/zinc/46/14/33/345461433.db2.gz PIKDZHAOYAWZPP-UHFFFAOYSA-N 1 2 230.315 2.503 20 0 BFADLO CC(C)CCc1noc(C[N@@H+]2CCC23CCC3)n1 ZINC000081515782 345482535 /nfs/dbraw/zinc/48/25/35/345482535.db2.gz AOSQZZCEIHURFQ-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO CC(C)CCc1noc(C[N@H+]2CCC23CCC3)n1 ZINC000081515782 345482538 /nfs/dbraw/zinc/48/25/38/345482538.db2.gz AOSQZZCEIHURFQ-UHFFFAOYSA-N 1 2 249.358 2.787 20 0 BFADLO COCC[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000088494513 345540948 /nfs/dbraw/zinc/54/09/48/345540948.db2.gz OVXOHGRNWLMCLC-SNVBAGLBSA-N 1 2 236.340 2.851 20 0 BFADLO COCC[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000088494511 345541033 /nfs/dbraw/zinc/54/10/33/345541033.db2.gz OVXOHGRNWLMCLC-JTQLQIEISA-N 1 2 236.340 2.851 20 0 BFADLO Fc1ccc2c(c1)CCN(c1cccc[nH+]1)C2 ZINC000091673693 345602803 /nfs/dbraw/zinc/60/28/03/345602803.db2.gz OXVSGFRJFCUKLD-UHFFFAOYSA-N 1 2 228.270 2.783 20 0 BFADLO COc1cc(F)cc(CNc2cc(C)[nH+]cn2)c1 ZINC000091685205 345603491 /nfs/dbraw/zinc/60/34/91/345603491.db2.gz REWOHIIILGGAPA-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CC1(C)C[N@H+](Cc2ccc(Cl)o2)CCO1 ZINC000091917243 345612123 /nfs/dbraw/zinc/61/21/23/345612123.db2.gz CVZIXPYCLWVLFM-UHFFFAOYSA-N 1 2 229.707 2.544 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccc(Cl)o2)CCO1 ZINC000091917243 345612127 /nfs/dbraw/zinc/61/21/27/345612127.db2.gz CVZIXPYCLWVLFM-UHFFFAOYSA-N 1 2 229.707 2.544 20 0 BFADLO COC[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000091981591 345613823 /nfs/dbraw/zinc/61/38/23/345613823.db2.gz SLLSUYQQXSGCKZ-CYBMUJFWSA-N 1 2 228.295 2.881 20 0 BFADLO CCCC(=CC(=O)NCc1[nH]cc[nH+]1)CCC ZINC000092445942 345620535 /nfs/dbraw/zinc/62/05/35/345620535.db2.gz BMAAKCXHGFUAJT-UHFFFAOYSA-N 1 2 235.331 2.553 20 0 BFADLO CC(C)[N@H+](Cc1cscn1)Cc1cccnc1 ZINC000093224135 345658920 /nfs/dbraw/zinc/65/89/20/345658920.db2.gz HKYLCUKFRDBCEQ-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1cscn1)Cc1cccnc1 ZINC000093224135 345658923 /nfs/dbraw/zinc/65/89/23/345658923.db2.gz HKYLCUKFRDBCEQ-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CSc1ccc(C[NH2+]Cc2ccco2)o1 ZINC000641700619 362611626 /nfs/dbraw/zinc/61/16/26/362611626.db2.gz GUMZEYAGXQGBFP-UHFFFAOYSA-N 1 2 223.297 2.884 20 0 BFADLO CCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092919183 345648381 /nfs/dbraw/zinc/64/83/81/345648381.db2.gz GUMHVJADEZQAQC-UHFFFAOYSA-N 1 2 229.205 2.860 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1C ZINC000093323367 345651643 /nfs/dbraw/zinc/65/16/43/345651643.db2.gz BWVDAZXJSDVQHK-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1C ZINC000093323367 345651646 /nfs/dbraw/zinc/65/16/46/345651646.db2.gz BWVDAZXJSDVQHK-ZDUSSCGKSA-N 1 2 249.354 2.687 20 0 BFADLO C[C@H]1CC(F)(F)CCN1c1cc[nH+]cc1F ZINC000641677995 362600154 /nfs/dbraw/zinc/60/01/54/362600154.db2.gz HBPLQTHQLDEMOI-QMMMGPOBSA-N 1 2 230.233 2.845 20 0 BFADLO C[C@@H]1CC(F)(F)CCN1c1cc[nH+]cc1F ZINC000641677994 362600215 /nfs/dbraw/zinc/60/02/15/362600215.db2.gz HBPLQTHQLDEMOI-MRVPVSSYSA-N 1 2 230.233 2.845 20 0 BFADLO CC1(F)CCN(c2cc[nH+]cc2F)CC1 ZINC000641683041 362602485 /nfs/dbraw/zinc/60/24/85/362602485.db2.gz HRAPZLSYHLZREP-UHFFFAOYSA-N 1 2 212.243 2.549 20 0 BFADLO c1nc(C2CC2)oc1COc1cc[nH+]cc1 ZINC000641719224 362634362 /nfs/dbraw/zinc/63/43/62/362634362.db2.gz KZWHGMHRUCXLDW-UHFFFAOYSA-N 1 2 216.240 2.526 20 0 BFADLO CSCCOc1ccccc1-n1cc[nH+]c1 ZINC000221765982 345747650 /nfs/dbraw/zinc/74/76/50/345747650.db2.gz XKYWCJQAGZZRTC-UHFFFAOYSA-N 1 2 234.324 2.614 20 0 BFADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000226286599 345751418 /nfs/dbraw/zinc/75/14/18/345751418.db2.gz JFDVHSHPWVLULD-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CCO[C@@H](C)C1 ZINC000226286599 345751421 /nfs/dbraw/zinc/75/14/21/345751421.db2.gz JFDVHSHPWVLULD-UWVGGRQHSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000307464267 345796791 /nfs/dbraw/zinc/79/67/91/345796791.db2.gz LEQGJATXOIYOHP-XAVMHZPKSA-N 1 2 207.239 2.715 20 0 BFADLO C[C@@H](NC(=O)CCC1CCCCC1)c1[nH]cc[nH+]1 ZINC000141076882 345834553 /nfs/dbraw/zinc/83/45/53/345834553.db2.gz UATOLIRNJCOQEM-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO CO[C@H](COc1cc[nH+]cc1)CC(C)C ZINC000418947217 192092471 /nfs/dbraw/zinc/09/24/71/192092471.db2.gz AVBFMDZBYCIJQQ-LBPRGKRZSA-N 1 2 209.289 2.522 20 0 BFADLO CC[C@H]([NH2+]Cc1cnc(C)o1)c1nccs1 ZINC000628217914 345946365 /nfs/dbraw/zinc/94/63/65/345946365.db2.gz NAWMSUVQUXPLIC-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO CO[C@@H]1CCC[C@H](Nc2ccc[nH+]c2C)C1 ZINC000234840039 537931198 /nfs/dbraw/zinc/93/11/98/537931198.db2.gz QJBGBNMSWHCWLZ-NWDGAFQWSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1cc(N[C@H](CO)CC2CCCCC2)nc[nH+]1 ZINC000419015621 192094048 /nfs/dbraw/zinc/09/40/48/192094048.db2.gz NFZFPLFIWIYHSK-ZDUSSCGKSA-N 1 2 249.358 2.528 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)[C@@H](C)[C@H]1C ZINC000419017316 192094373 /nfs/dbraw/zinc/09/43/73/192094373.db2.gz NVTNKQIRFHRTNH-VWYCJHECSA-N 1 2 231.343 2.835 20 0 BFADLO COc1ccc[nH+]c1NCC1(C(C)C)CC1 ZINC000234947837 323105704 /nfs/dbraw/zinc/10/57/04/323105704.db2.gz YKGKDKNQXHLCKL-UHFFFAOYSA-N 1 2 220.316 2.938 20 0 BFADLO COc1ccccc1/C=C\C[NH2+]C(CF)CF ZINC000449382510 201896686 /nfs/dbraw/zinc/89/66/86/201896686.db2.gz XHYSAEZXMVKRRO-XQRVVYSFSA-N 1 2 241.281 2.606 20 0 BFADLO Cc1ncc(C[NH2+]Cc2nc(C3CC3)cs2)o1 ZINC000628230205 346179604 /nfs/dbraw/zinc/17/96/04/346179604.db2.gz XBBWBMMVHSWYRT-UHFFFAOYSA-N 1 2 249.339 2.607 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3cc(F)ccc3C2)o1 ZINC000628235655 346189725 /nfs/dbraw/zinc/18/97/25/346189725.db2.gz XLEHYPAAHJFGBY-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3cc(F)ccc3C2)o1 ZINC000628235655 346189726 /nfs/dbraw/zinc/18/97/26/346189726.db2.gz XLEHYPAAHJFGBY-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1[nH]c(CN2CCc3ccc(C)cc32)[nH+]c1C ZINC000628236292 346190157 /nfs/dbraw/zinc/19/01/57/346190157.db2.gz WNDXBTLYYKKVOG-UHFFFAOYSA-N 1 2 241.338 2.898 20 0 BFADLO Cc1[nH]c(CN(C)[C@@H](C)c2ccncc2)[nH+]c1C ZINC000628237123 346193368 /nfs/dbraw/zinc/19/33/68/346193368.db2.gz BQBQGBPMCZCYMK-LBPRGKRZSA-N 1 2 244.342 2.615 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C[N@H+](CCO)CC(F)F ZINC000628256277 346254300 /nfs/dbraw/zinc/25/43/00/346254300.db2.gz PZXPQDNWIGTFNM-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000628256277 346254302 /nfs/dbraw/zinc/25/43/02/346254302.db2.gz PZXPQDNWIGTFNM-NWDGAFQWSA-N 1 2 249.345 2.762 20 0 BFADLO CC[N@H+](Cc1csnn1)Cc1ccccc1 ZINC000158693375 346400322 /nfs/dbraw/zinc/40/03/22/346400322.db2.gz VTRBDYNOVQTZJF-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1csnn1)Cc1ccccc1 ZINC000158693375 346400324 /nfs/dbraw/zinc/40/03/24/346400324.db2.gz VTRBDYNOVQTZJF-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CC[C@@H](C)[C@@H](F)C1 ZINC000679220113 488317340 /nfs/dbraw/zinc/31/73/40/488317340.db2.gz COMNRKORPKLOCY-NEPJUHHUSA-N 1 2 239.338 2.644 20 0 BFADLO CCSCC[C@@H](C)[N@H+](C)CC(F)F ZINC000174036484 346405474 /nfs/dbraw/zinc/40/54/74/346405474.db2.gz UPBIKGPKIUDTJW-MRVPVSSYSA-N 1 2 211.321 2.715 20 0 BFADLO CCSCC[C@@H](C)[N@@H+](C)CC(F)F ZINC000174036484 346405475 /nfs/dbraw/zinc/40/54/75/346405475.db2.gz UPBIKGPKIUDTJW-MRVPVSSYSA-N 1 2 211.321 2.715 20 0 BFADLO CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](C)C(F)F)n1 ZINC000641792492 362727321 /nfs/dbraw/zinc/72/73/21/362727321.db2.gz WMAIFXOFQOSKPH-ZJUUUORDSA-N 1 2 245.317 2.638 20 0 BFADLO CSC1CCN(c2cc[nH+]cc2F)CC1 ZINC000603412533 349961362 /nfs/dbraw/zinc/96/13/62/349961362.db2.gz FMAGTIPVXZUOTJ-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccncc1 ZINC000641791370 362731724 /nfs/dbraw/zinc/73/17/24/362731724.db2.gz HKWNGRQAVWTXSX-WPRPVWTQSA-N 1 2 214.259 2.776 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000641791882 362732823 /nfs/dbraw/zinc/73/28/23/362732823.db2.gz ONMKVYZMIIQVEK-DTWKUNHWSA-N 1 2 214.259 2.694 20 0 BFADLO C[C@@H]([NH2+]Cc1cc2cnccc2o1)C(F)F ZINC000641794592 362735316 /nfs/dbraw/zinc/73/53/16/362735316.db2.gz WJESSMPUZOUFTM-SSDOTTSWSA-N 1 2 226.226 2.571 20 0 BFADLO COc1cc(C[NH2+][C@@H](C)C(F)F)ccc1C ZINC000641793578 362735574 /nfs/dbraw/zinc/73/55/74/362735574.db2.gz KHJSDJUCGDOMKS-VIFPVBQESA-N 1 2 229.270 2.747 20 0 BFADLO C[C@H]([NH2+]Cc1scnc1C1CC1)C(F)F ZINC000641793336 362735796 /nfs/dbraw/zinc/73/57/96/362735796.db2.gz IZQUHRIRPBDHOH-LURJTMIESA-N 1 2 232.299 2.764 20 0 BFADLO CCC1(c2noc(Cn3cc[nH+]c3)n2)CCCC1 ZINC000582036718 347092019 /nfs/dbraw/zinc/09/20/19/347092019.db2.gz LSUVLLVGJPOKST-UHFFFAOYSA-N 1 2 246.314 2.536 20 0 BFADLO CC(C)Nc1ccc(-c2c[nH+]cn2C)cc1 ZINC000669379734 537980524 /nfs/dbraw/zinc/98/05/24/537980524.db2.gz AKYIUHAQIBDPMT-UHFFFAOYSA-N 1 2 215.300 2.907 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)Cc1ccccc1 ZINC000170955588 346488893 /nfs/dbraw/zinc/48/88/93/346488893.db2.gz UKKWTAHCWAPVCW-UHFFFAOYSA-N 1 2 226.279 2.571 20 0 BFADLO Cc1cccc(Cl)c1NCc1[nH+]ccn1C ZINC000085387805 179108440 /nfs/dbraw/zinc/10/84/40/179108440.db2.gz XWSQBEXASYHMFB-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ccncc2Cl)C[C@H]1F ZINC000679225745 488322015 /nfs/dbraw/zinc/32/20/15/488322015.db2.gz YEEJQPKYPHBWLU-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C[C@H]1F ZINC000679225745 488322017 /nfs/dbraw/zinc/32/20/17/488322017.db2.gz YEEJQPKYPHBWLU-BXKDBHETSA-N 1 2 242.725 2.915 20 0 BFADLO CCc1nc(C[NH2+]Cc2occc2C)cs1 ZINC000164531682 346608010 /nfs/dbraw/zinc/60/80/10/346608010.db2.gz SIWTYXOQFOXWIF-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000176622557 365848388 /nfs/dbraw/zinc/84/83/88/365848388.db2.gz POSKPBWMRRZYHU-QWHCGFSZSA-N 1 2 244.338 2.991 20 0 BFADLO Cc1cccc(NCc2c[nH+]cn2C)c1C ZINC000078779768 179151694 /nfs/dbraw/zinc/15/16/94/179151694.db2.gz GNMIKCQKSMODHW-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO Cc1n[nH]cc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000353051026 187372050 /nfs/dbraw/zinc/37/20/50/187372050.db2.gz GVKCJUKPECXDIR-UHFFFAOYSA-N 1 2 243.301 2.776 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275601201 179182326 /nfs/dbraw/zinc/18/23/26/179182326.db2.gz JDZHYAXAQUOZKZ-VXGBXAGGSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000041015409 179182594 /nfs/dbraw/zinc/18/25/94/179182594.db2.gz DHYNYLCFDKIVSH-LLVKDONJSA-N 1 2 215.300 2.569 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1c[nH]cn1 ZINC000684619526 488333284 /nfs/dbraw/zinc/33/32/84/488333284.db2.gz BNLFCDWQUKNNQJ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c[nH]cn1 ZINC000684619526 488333285 /nfs/dbraw/zinc/33/32/85/488333285.db2.gz BNLFCDWQUKNNQJ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cnc[nH]1 ZINC000684619526 488333288 /nfs/dbraw/zinc/33/32/88/488333288.db2.gz BNLFCDWQUKNNQJ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cnc[nH]1 ZINC000684619526 488333290 /nfs/dbraw/zinc/33/32/90/488333290.db2.gz BNLFCDWQUKNNQJ-BDAKNGLRSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1cccc([C@@H](O)CNc2cccc[nH+]2)c1 ZINC000132515360 179188686 /nfs/dbraw/zinc/18/86/86/179188686.db2.gz JTUKBYJSRFOUDE-ZDUSSCGKSA-N 1 2 228.295 2.536 20 0 BFADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccncc1 ZINC000624147965 347262195 /nfs/dbraw/zinc/26/21/95/347262195.db2.gz QCKRFWGVKMJSFJ-VIFPVBQESA-N 1 2 214.259 2.778 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C(=O)OC ZINC000310784638 347304613 /nfs/dbraw/zinc/30/46/13/347304613.db2.gz ZHHQDLZHTRCTFM-CQSZACIVSA-N 1 2 247.338 2.605 20 0 BFADLO CC[N@@H+](Cc1cocn1)Cc1cccs1 ZINC000191922652 347363084 /nfs/dbraw/zinc/36/30/84/347363084.db2.gz DCPOLGYOTJQLQN-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1cocn1)Cc1cccs1 ZINC000191922652 347363087 /nfs/dbraw/zinc/36/30/87/347363087.db2.gz DCPOLGYOTJQLQN-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC1=C(C)C[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921015 347449924 /nfs/dbraw/zinc/44/99/24/347449924.db2.gz BMQJNRYXMJMSOS-GFCCVEGCSA-N 1 2 247.342 2.505 20 0 BFADLO CC1=C(C)C[C@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921015 347449926 /nfs/dbraw/zinc/44/99/26/347449926.db2.gz BMQJNRYXMJMSOS-GFCCVEGCSA-N 1 2 247.342 2.505 20 0 BFADLO CN(Cc1c[nH+]c[nH]1)C(=O)C1=CCC(C)(C)CC1 ZINC000616922267 347452319 /nfs/dbraw/zinc/45/23/19/347452319.db2.gz WEOBAMYQFWTDDA-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO CN(Cc1c[nH]c[nH+]1)C(=O)C1=CCC(C)(C)CC1 ZINC000616922267 347452321 /nfs/dbraw/zinc/45/23/21/347452321.db2.gz WEOBAMYQFWTDDA-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO C[C@H]1CCC[C@@H](CC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616924328 347455073 /nfs/dbraw/zinc/45/50/73/347455073.db2.gz FDKXKINUIZLSDI-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@H]1CCC[C@@H](CC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000616924328 347455075 /nfs/dbraw/zinc/45/50/75/347455075.db2.gz FDKXKINUIZLSDI-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO CC1(C)CCC(CNc2ccc(CO)c[nH+]2)CC1 ZINC000356348600 187376185 /nfs/dbraw/zinc/37/61/85/187376185.db2.gz VXEFWAVMKRVGSG-UHFFFAOYSA-N 1 2 248.370 2.624 20 0 BFADLO Cc1conc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000636581404 347519669 /nfs/dbraw/zinc/51/96/69/347519669.db2.gz ALJOMKVAIUGWCI-UHFFFAOYSA-N 1 2 245.282 2.556 20 0 BFADLO Cc1c(F)cccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493090056 347522199 /nfs/dbraw/zinc/52/21/99/347522199.db2.gz UFSJGIMCJABKHC-AATRIKPKSA-N 1 2 245.257 2.509 20 0 BFADLO Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000577236259 365895259 /nfs/dbraw/zinc/89/52/59/365895259.db2.gz OMRPQHGFKSDYLV-LBPRGKRZSA-N 1 2 243.310 2.781 20 0 BFADLO CC[C@H](C)N(CC)C(=O)c1ccc2[nH+]ccn2c1 ZINC000616981659 347563853 /nfs/dbraw/zinc/56/38/53/347563853.db2.gz FHBNCGMVQITKBK-NSHDSACASA-N 1 2 245.326 2.595 20 0 BFADLO CC[C@H]([NH2+]Cc1ccccc1)C(=O)OC(C)(C)C ZINC000592377720 347771794 /nfs/dbraw/zinc/77/17/94/347771794.db2.gz XZAUHIROYPNCEQ-ZDUSSCGKSA-N 1 2 249.354 2.897 20 0 BFADLO Cc1ccccc1[N@@H+](CCCO)C(C)C ZINC000303981598 179296047 /nfs/dbraw/zinc/29/60/47/179296047.db2.gz FWHOWFGPQJAWPZ-UHFFFAOYSA-N 1 2 207.317 2.592 20 0 BFADLO Cc1ccccc1[N@H+](CCCO)C(C)C ZINC000303981598 179296050 /nfs/dbraw/zinc/29/60/50/179296050.db2.gz FWHOWFGPQJAWPZ-UHFFFAOYSA-N 1 2 207.317 2.592 20 0 BFADLO Cc1cccc(CCSCc2cnn(C)c2)[nH+]1 ZINC000592455719 347782929 /nfs/dbraw/zinc/78/29/29/347782929.db2.gz NKELMXPSSNNTHJ-UHFFFAOYSA-N 1 2 247.367 2.599 20 0 BFADLO COc1ccc2[nH+]c(NC3CCC3)ccc2c1 ZINC000593285368 347878406 /nfs/dbraw/zinc/87/84/06/347878406.db2.gz HBXFCVIRERZBFT-UHFFFAOYSA-N 1 2 228.295 2.630 20 0 BFADLO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccc(C2CC2)cc1 ZINC000577356080 365931976 /nfs/dbraw/zinc/93/19/76/365931976.db2.gz NUFJEXQOONEEJB-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+]Cc1c[nH]nn1)c1ccc(C2CC2)cc1 ZINC000577356080 365931980 /nfs/dbraw/zinc/93/19/80/365931980.db2.gz NUFJEXQOONEEJB-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H]([NH2+]Cc1cn[nH]n1)c1ccc(C2CC2)cc1 ZINC000577356080 365931983 /nfs/dbraw/zinc/93/19/83/365931983.db2.gz NUFJEXQOONEEJB-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO C[C@@H](CCC(F)(F)F)Nc1c[nH]c[nH+]1 ZINC000308589873 347881842 /nfs/dbraw/zinc/88/18/42/347881842.db2.gz URGVBOTTYNFKLB-LURJTMIESA-N 1 2 207.199 2.553 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275641969 179321729 /nfs/dbraw/zinc/32/17/29/179321729.db2.gz NECNUXRYLWELHF-NEPJUHHUSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275641987 179322925 /nfs/dbraw/zinc/32/29/25/179322925.db2.gz NECNUXRYLWELHF-VXGBXAGGSA-N 1 2 244.342 2.535 20 0 BFADLO Cc1ccc[nH+]c1CCCNc1ncccc1F ZINC000294894837 179368871 /nfs/dbraw/zinc/36/88/71/179368871.db2.gz DFTQGTHLGDLYAU-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1ccc[nH+]c1CCNc1nc(C(C)C)no1 ZINC000295767234 179370450 /nfs/dbraw/zinc/37/04/50/179370450.db2.gz PLPBYUICUSWJAU-UHFFFAOYSA-N 1 2 246.314 2.551 20 0 BFADLO COC(=O)[C@@](C)(CCF)[NH2+]CCCC(C)(C)C ZINC000595774374 348337909 /nfs/dbraw/zinc/33/79/09/348337909.db2.gz HYIBXEFNUSOREM-CYBMUJFWSA-N 1 2 247.354 2.694 20 0 BFADLO CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@H]1C(C)C ZINC000419334782 192125039 /nfs/dbraw/zinc/12/50/39/192125039.db2.gz UCOWSAOZUBVXKQ-XQQFMLRXSA-N 1 2 241.375 2.598 20 0 BFADLO COC1(CCSCCn2cc[nH+]c2)CCC1 ZINC000419489142 192139711 /nfs/dbraw/zinc/13/97/11/192139711.db2.gz FEQUTKPZEBQJPM-UHFFFAOYSA-N 1 2 240.372 2.576 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H](O)c1ccccc1 ZINC000268968580 187398445 /nfs/dbraw/zinc/39/84/45/187398445.db2.gz LASAQWVRUJZPGM-LBPRGKRZSA-N 1 2 243.297 2.696 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H](O)c1ccccc1 ZINC000268968580 187398447 /nfs/dbraw/zinc/39/84/47/187398447.db2.gz LASAQWVRUJZPGM-LBPRGKRZSA-N 1 2 243.297 2.696 20 0 BFADLO CC(C)=CCCSCCn1cc[nH+]c1 ZINC000596418892 348542077 /nfs/dbraw/zinc/54/20/77/348542077.db2.gz RBGGBJKUJZVYNZ-UHFFFAOYSA-N 1 2 210.346 2.973 20 0 BFADLO Cc1cc(CNc2ccc(C)[nH+]c2)sn1 ZINC000389897648 538007715 /nfs/dbraw/zinc/00/77/15/538007715.db2.gz AYKHXYCMMVUHEW-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cnc(NCCCNc2cccc[nH+]2)s1 ZINC000302766648 179633178 /nfs/dbraw/zinc/63/31/78/179633178.db2.gz AJRFQYQZRFTQNB-UHFFFAOYSA-N 1 2 248.355 2.761 20 0 BFADLO COc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000153956807 538016199 /nfs/dbraw/zinc/01/61/99/538016199.db2.gz ZQCHLTRMIKYFJH-JTQLQIEISA-N 1 2 245.326 2.578 20 0 BFADLO COC(=O)[C@@H]([NH2+]CC1CC(C)C1)c1ccccc1 ZINC000598733272 349035592 /nfs/dbraw/zinc/03/55/92/349035592.db2.gz XZVABDBSSZSZBA-YIZWMMSDSA-N 1 2 247.338 2.536 20 0 BFADLO Cc1c[nH+]ccc1CCSC[C@@H]1CCCO1 ZINC000421841320 192391937 /nfs/dbraw/zinc/39/19/37/192391937.db2.gz KEJHPLLLZDQNRA-ZDUSSCGKSA-N 1 2 237.368 2.845 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)no1 ZINC000640105281 538034268 /nfs/dbraw/zinc/03/42/68/538034268.db2.gz CFOHLXNYUNBGDC-ZDUSSCGKSA-N 1 2 249.358 2.780 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H](C3CCC3)CC2)no1 ZINC000640105281 538034273 /nfs/dbraw/zinc/03/42/73/538034273.db2.gz CFOHLXNYUNBGDC-ZDUSSCGKSA-N 1 2 249.358 2.780 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000599627756 349231243 /nfs/dbraw/zinc/23/12/43/349231243.db2.gz NRUMODLTICACOP-GXTWGEPZSA-N 1 2 249.354 2.843 20 0 BFADLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CC1=CCCC1 ZINC000599652899 349234625 /nfs/dbraw/zinc/23/46/25/349234625.db2.gz PTZMUTJGEPOXRB-UHFFFAOYSA-N 1 2 239.359 2.807 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C(=O)OC)c1cc(C)ccc1C ZINC000599641185 349238263 /nfs/dbraw/zinc/23/82/63/349238263.db2.gz QVFFVZLIFVCIAN-JSGCOSHPSA-N 1 2 249.354 2.906 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(=O)OC)c1cc(C)ccc1C ZINC000599641184 349238405 /nfs/dbraw/zinc/23/84/05/349238405.db2.gz QVFFVZLIFVCIAN-GXTWGEPZSA-N 1 2 249.354 2.906 20 0 BFADLO Cc1cc(N2CCCc3sccc3C2)nc[nH+]1 ZINC000599913921 349269826 /nfs/dbraw/zinc/26/98/26/349269826.db2.gz BHRZVKVUPLYELD-UHFFFAOYSA-N 1 2 245.351 2.799 20 0 BFADLO CC(C)(C)[C@@H]1C[C@@H](Nc2c[nH]c[nH+]2)CS1 ZINC000309006552 349285008 /nfs/dbraw/zinc/28/50/08/349285008.db2.gz PYZLMYSIZNTUQO-BDAKNGLRSA-N 1 2 225.361 2.742 20 0 BFADLO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000390747311 362947113 /nfs/dbraw/zinc/94/71/13/362947113.db2.gz AIQADNMAKFGHSI-UHFFFAOYSA-N 1 2 236.658 2.687 20 0 BFADLO Cc1nc(CCNc2cccc[nH+]2)sc1C ZINC000268599250 179940946 /nfs/dbraw/zinc/94/09/46/179940946.db2.gz JDQOITLKYPDELW-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO CC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000603809304 350036721 /nfs/dbraw/zinc/03/67/21/350036721.db2.gz XNKPHQRLPKPCNL-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1cccc2c1CCCN2Cc1[nH+]ccn1C ZINC000603943349 350057967 /nfs/dbraw/zinc/05/79/67/350057967.db2.gz NVMNJEGYRRSJCI-UHFFFAOYSA-N 1 2 241.338 2.681 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2(C)CCC2)[nH+]1 ZINC000309712369 180016631 /nfs/dbraw/zinc/01/66/31/180016631.db2.gz RFOORNHFYCIXCU-UHFFFAOYSA-N 1 2 216.288 2.621 20 0 BFADLO CC(C)OCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131882075 191018006 /nfs/dbraw/zinc/01/80/06/191018006.db2.gz CHZYDPDQNDKTJJ-UHFFFAOYSA-N 1 2 240.253 2.740 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@H]2F)[nH+]1 ZINC000338842639 180024735 /nfs/dbraw/zinc/02/47/35/180024735.db2.gz KMAYLCDOJPJYNJ-NXEZZACHSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CS[C@@H](C)C2)[nH+]1 ZINC000334112071 180024972 /nfs/dbraw/zinc/02/49/72/180024972.db2.gz CTCOBKSTDKVVPP-IONNQARKSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@@H](F)C2)[nH+]1 ZINC000336514131 180025165 /nfs/dbraw/zinc/02/51/65/180025165.db2.gz INWXCOINYUXOON-BDAKNGLRSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@H]2F)[nH+]1 ZINC000338842651 180025684 /nfs/dbraw/zinc/02/56/84/180025684.db2.gz KMAYLCDOJPJYNJ-ZJUUUORDSA-N 1 2 234.278 2.569 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)[nH]1 ZINC000331338974 180037466 /nfs/dbraw/zinc/03/74/66/180037466.db2.gz WIQJCOSJPSYXJP-DTWKUNHWSA-N 1 2 248.330 2.735 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)[nH]1 ZINC000336280778 180046683 /nfs/dbraw/zinc/04/66/83/180046683.db2.gz BWGMMWAQJAXMPF-GWCFXTLKSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CC[C@H]2c2ccccc2)[nH]1 ZINC000336280778 180046685 /nfs/dbraw/zinc/04/66/85/180046685.db2.gz BWGMMWAQJAXMPF-GWCFXTLKSA-N 1 2 242.326 2.621 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000377878491 180047269 /nfs/dbraw/zinc/04/72/69/180047269.db2.gz JHRVTMLBZSODHE-ONGXEEELSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CC[C@H](c3ccco3)C2)no1 ZINC000377878491 180047271 /nfs/dbraw/zinc/04/72/71/180047271.db2.gz JHRVTMLBZSODHE-ONGXEEELSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cs1 ZINC000222469243 180050845 /nfs/dbraw/zinc/05/08/45/180050845.db2.gz WJRKYFSVWQWLBH-YUMQZZPRSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nc(N2CC[C@](C)(F)C2)c2c([nH+]1)CCCC2 ZINC000359725437 180067838 /nfs/dbraw/zinc/06/78/38/180067838.db2.gz HQSJSSWAVVEVAP-AWEZNQCLSA-N 1 2 249.333 2.602 20 0 BFADLO Cc1c[nH+]cc(NC2Cc3ccccc3C2)c1 ZINC000132227414 191027877 /nfs/dbraw/zinc/02/78/77/191027877.db2.gz CEFNDEISADYDGS-UHFFFAOYSA-N 1 2 224.307 2.969 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)CC3CC3)cc2[nH+]1 ZINC000340969982 180094757 /nfs/dbraw/zinc/09/47/57/180094757.db2.gz AFKVUHJVKXVNKQ-UHFFFAOYSA-N 1 2 229.283 2.610 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CC3(C)C)cc2[nH+]1 ZINC000337486447 180095125 /nfs/dbraw/zinc/09/51/25/180095125.db2.gz ILRHVWDRNBNLDK-JTQLQIEISA-N 1 2 243.310 2.856 20 0 BFADLO Cc1nc2ccc(NCc3[nH]cc[nH+]3)cc2s1 ZINC000020997144 180096239 /nfs/dbraw/zinc/09/62/39/180096239.db2.gz LUUORNKKHQNONG-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO Cc1nc(N[C@@H]2CCC[C@@H]2F)c2c([nH+]1)CCCC2 ZINC000338845719 180069457 /nfs/dbraw/zinc/06/94/57/180069457.db2.gz UOYDJOKXMNPUOX-WCQYABFASA-N 1 2 249.333 2.966 20 0 BFADLO Cc1nc(NCc2ccco2)c2c([nH+]1)CCCC2 ZINC000267926719 180070268 /nfs/dbraw/zinc/07/02/68/180070268.db2.gz GIEJYOKOWUHWKN-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO Cc1nc(NCCC2CC2)c2c([nH+]1)CCCC2 ZINC000302095945 180070495 /nfs/dbraw/zinc/07/04/95/180070495.db2.gz OANHTKODMZBFQZ-UHFFFAOYSA-N 1 2 231.343 2.876 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CCCCO1 ZINC000133378614 191040783 /nfs/dbraw/zinc/04/07/83/191040783.db2.gz FTZZYEGFOOLZON-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCCCO1 ZINC000133378614 191040785 /nfs/dbraw/zinc/04/07/85/191040785.db2.gz FTZZYEGFOOLZON-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000339228105 180129512 /nfs/dbraw/zinc/12/95/12/180129512.db2.gz ONLQFWYCVKERLT-JQWIXIFHSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@@H]2CCC[C@@H](C)[C@@H]2C)c[nH+]1 ZINC000361262872 180130323 /nfs/dbraw/zinc/13/03/23/180130323.db2.gz UMZYGKWPMUJIPR-SCVCMEIPSA-N 1 2 249.358 2.520 20 0 BFADLO CC[C@@H](C)Nc1nc(C)[nH+]c(N[C@@H](C)CC)n1 ZINC000002034641 350185059 /nfs/dbraw/zinc/18/50/59/350185059.db2.gz LEJRMZKSZMTMLO-DTORHVGOSA-N 1 2 237.351 2.601 20 0 BFADLO CC[C@@H](C)Nc1nc(N[C@@H](C)CC)nc(C)[nH+]1 ZINC000002034641 350185061 /nfs/dbraw/zinc/18/50/61/350185061.db2.gz LEJRMZKSZMTMLO-DTORHVGOSA-N 1 2 237.351 2.601 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CO[C@@H](C)C1 ZINC000402363878 350217298 /nfs/dbraw/zinc/21/72/98/350217298.db2.gz DUYMOFKKXCAXPZ-AAEUAGOBSA-N 1 2 242.322 2.554 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000272917552 180193916 /nfs/dbraw/zinc/19/39/16/180193916.db2.gz PLQHUSCAPXUGSC-UHTWSYAYSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1nc(N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000267572755 180195256 /nfs/dbraw/zinc/19/52/56/180195256.db2.gz XNGMNGRORBNDFL-WXHSDQCUSA-N 1 2 231.343 2.942 20 0 BFADLO Cc1nc(NC2CC(C(F)(F)F)C2)cc[nH+]1 ZINC000309707008 180197473 /nfs/dbraw/zinc/19/74/73/180197473.db2.gz PAFIWJMNAFZDSK-UHFFFAOYSA-N 1 2 231.221 2.538 20 0 BFADLO Cc1nc(NCCO[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000266361020 180198084 /nfs/dbraw/zinc/19/80/84/180198084.db2.gz KPNYDVBXWDUZAQ-DGCLKSJQSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1noc(C)c1[C@H](C)CNc1cc[nH+]c(C)n1 ZINC000129568001 180200885 /nfs/dbraw/zinc/20/08/85/180200885.db2.gz QMJGJCBEJNYXBS-MRVPVSSYSA-N 1 2 246.314 2.605 20 0 BFADLO Cc1ccsc1CCNc1cc[nH+]c(C)n1 ZINC000309717492 180200899 /nfs/dbraw/zinc/20/08/99/180200899.db2.gz UOOPPEJNXCVBBF-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO Cc1nc(NC[C@@H]2CCCO[C@H]2C(C)C)cc[nH+]1 ZINC000174933501 180200903 /nfs/dbraw/zinc/20/09/03/180200903.db2.gz OIESSWJYGKMRTB-JSGCOSHPSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1nc(NCCc2ccsc2)cc[nH+]1 ZINC000054936200 180201139 /nfs/dbraw/zinc/20/11/39/180201139.db2.gz JDTZKQXQUFNXNB-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO Cc1cnc([C@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000125195164 180202874 /nfs/dbraw/zinc/20/28/74/180202874.db2.gz KYWSRQMXHPKQIX-QMMMGPOBSA-N 1 2 234.328 2.723 20 0 BFADLO Cc1nc(N[C@H]2C[C@H]2Cc2ccccc2)cc[nH+]1 ZINC000361096631 180206897 /nfs/dbraw/zinc/20/68/97/180206897.db2.gz MORRLQSPQXUEQJ-KGLIPLIRSA-N 1 2 239.322 2.828 20 0 BFADLO Cc1nc(N[C@H]2CCO[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000270772966 180208026 /nfs/dbraw/zinc/20/80/26/180208026.db2.gz MIYZEBJCJRRZJG-NWDGAFQWSA-N 1 2 249.358 2.791 20 0 BFADLO Cc1nc(NCCCCC2CCCC2)cc[nH+]1 ZINC000361181499 180180212 /nfs/dbraw/zinc/18/02/12/180180212.db2.gz NDAUPCALCQZOKZ-UHFFFAOYSA-N 1 2 233.359 2.979 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C(C)(C)F)n1 ZINC000334994126 180222606 /nfs/dbraw/zinc/22/26/06/180222606.db2.gz UTCDYPGQKYFQGX-UHFFFAOYSA-N 1 2 235.262 2.568 20 0 BFADLO Cc1occc1CNc1ccc[nH+]c1C ZINC000321669944 180226037 /nfs/dbraw/zinc/22/60/37/180226037.db2.gz XRULMLNDNNVWPW-UHFFFAOYSA-N 1 2 202.257 2.904 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CCCSC1 ZINC000085726834 180228090 /nfs/dbraw/zinc/22/80/90/180228090.db2.gz JLTRNSUZDCALIC-JTQLQIEISA-N 1 2 208.330 2.698 20 0 BFADLO CC[C@H]1CCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000309250483 350234519 /nfs/dbraw/zinc/23/45/19/350234519.db2.gz DRKWUJJDZPCUDJ-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@H]1CCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000309250483 350234521 /nfs/dbraw/zinc/23/45/21/350234521.db2.gz DRKWUJJDZPCUDJ-YUMQZZPRSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@@H]1CCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000309250480 350234531 /nfs/dbraw/zinc/23/45/31/350234531.db2.gz DRKWUJJDZPCUDJ-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO CC[C@@H]1CCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000309250480 350234532 /nfs/dbraw/zinc/23/45/32/350234532.db2.gz DRKWUJJDZPCUDJ-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO Cc1cc(N[C@@H](C2CC2)C2CCC2)nc[nH+]1 ZINC000325031472 323308777 /nfs/dbraw/zinc/30/87/77/323308777.db2.gz MFLJRTQBFXUVKA-CYBMUJFWSA-N 1 2 217.316 2.776 20 0 BFADLO CC[N@@H+](Cc1cc(C)n(C)n1)Cc1cccs1 ZINC000336700209 350453561 /nfs/dbraw/zinc/45/35/61/350453561.db2.gz LASSOEDWEDVZQX-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO CC[N@H+](Cc1cc(C)n(C)n1)Cc1cccs1 ZINC000336700209 350453564 /nfs/dbraw/zinc/45/35/64/350453564.db2.gz LASSOEDWEDVZQX-UHFFFAOYSA-N 1 2 249.383 2.812 20 0 BFADLO CCCCc1cc(N[C@H](C)CCOC)nc[nH+]1 ZINC000631093382 350516089 /nfs/dbraw/zinc/51/60/89/350516089.db2.gz VVUXDNANSMHGTB-LLVKDONJSA-N 1 2 237.347 2.656 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000134999900 180445608 /nfs/dbraw/zinc/44/56/08/180445608.db2.gz SWOZNBPIFQZKMC-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO CCCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000027982605 350636402 /nfs/dbraw/zinc/63/64/02/350636402.db2.gz RUJRQYUNXAHJKL-UHFFFAOYSA-N 1 2 218.304 2.868 20 0 BFADLO Cc1nocc1C[NH2+]Cc1cc(F)ccc1F ZINC000293468224 180508150 /nfs/dbraw/zinc/50/81/50/180508150.db2.gz DUZNBNUPBLMYMJ-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1c[nH]c(CN2Cc3ccc(Cl)cc3C2)[nH+]1 ZINC000628309178 350785167 /nfs/dbraw/zinc/78/51/67/350785167.db2.gz FWPQSGOIOJCFMT-UHFFFAOYSA-N 1 2 247.729 2.887 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccnc(C)c1 ZINC000623560197 362983943 /nfs/dbraw/zinc/98/39/43/362983943.db2.gz YJCNEFPEWNWNCS-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cnc(Cl)s1 ZINC000306745588 350933859 /nfs/dbraw/zinc/93/38/59/350933859.db2.gz BIJDTHCRKKNTTK-RNFRBKRXSA-N 1 2 216.737 2.779 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(F)F ZINC000389906483 351054413 /nfs/dbraw/zinc/05/44/13/351054413.db2.gz HBKALKDMHNOCEU-DTWKUNHWSA-N 1 2 224.254 2.862 20 0 BFADLO CC[N@@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616641140 351146893 /nfs/dbraw/zinc/14/68/93/351146893.db2.gz BDGMKEAXVMBBDQ-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCOC[C@H]1c1ccccc1Cl ZINC000616641140 351146896 /nfs/dbraw/zinc/14/68/96/351146896.db2.gz BDGMKEAXVMBBDQ-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO Cc1ncc(CNc2cc(C)c[nH+]c2C)o1 ZINC000628324445 351236524 /nfs/dbraw/zinc/23/65/24/351236524.db2.gz UESUMGIMCCYUPB-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cccc(OCc2c[nH+]cn2C)c1Cl ZINC000335778472 538100165 /nfs/dbraw/zinc/10/01/65/538100165.db2.gz DNLJHXHMNUHQED-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cnc(C)s1 ZINC000264986848 351260426 /nfs/dbraw/zinc/26/04/26/351260426.db2.gz JCACKIUQOCOHGR-UHFFFAOYSA-N 1 2 247.323 2.661 20 0 BFADLO C[C@H](CO)[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631125665 351326442 /nfs/dbraw/zinc/32/64/42/351326442.db2.gz HUQXPKZCFAJSKC-MNOVXSKESA-N 1 2 230.311 2.664 20 0 BFADLO C[C@@H](Nc1cc2ccccc2c[nH+]1)[C@H](C)CO ZINC000631125662 351326533 /nfs/dbraw/zinc/32/65/33/351326533.db2.gz HUQXPKZCFAJSKC-GHMZBOCLSA-N 1 2 230.311 2.664 20 0 BFADLO CC(C)(O)C[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000187993600 187486062 /nfs/dbraw/zinc/48/60/62/187486062.db2.gz GPBNQFYJSDQAOI-ZBFHGGJFSA-N 1 2 247.382 2.857 20 0 BFADLO Cc1ccc(CC(=O)Nc2c(C)cc[nH+]c2C)o1 ZINC000577626125 366024153 /nfs/dbraw/zinc/02/41/53/366024153.db2.gz JGLSZFKFRIJSDT-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO CC[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000336730130 351591651 /nfs/dbraw/zinc/59/16/51/351591651.db2.gz JRVXNWDVXOSIKS-MNOVXSKESA-N 1 2 205.305 2.776 20 0 BFADLO Cc1c[nH+]cc(N[C@@H]2CS[C@@H](C)C2)c1 ZINC000232073010 351656868 /nfs/dbraw/zinc/65/68/68/351656868.db2.gz JKHSHSSRPNLQAY-ONGXEEELSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@@H](C)Cc1ccsc1 ZINC000577768765 366059531 /nfs/dbraw/zinc/05/95/31/366059531.db2.gz PCULEBUQPYHVHY-JTQLQIEISA-N 1 2 247.367 2.620 20 0 BFADLO CC(C)[C@H](NC(=O)C[C@@H]1C=CCC1)c1[nH]cc[nH+]1 ZINC000276556559 187513432 /nfs/dbraw/zinc/51/34/32/187513432.db2.gz GXZFFCJJBYQMTE-YPMHNXCESA-N 1 2 247.342 2.579 20 0 BFADLO c1cc(C[NH+]2Cc3ccccc3C2)sn1 ZINC000638034705 351915559 /nfs/dbraw/zinc/91/55/59/351915559.db2.gz DWOYFTCHMGZIQR-UHFFFAOYSA-N 1 2 216.309 2.659 20 0 BFADLO C[C@H]1CC[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000410875894 191150104 /nfs/dbraw/zinc/15/01/04/191150104.db2.gz DNSVRJWTWAPKNE-WDEREUQCSA-N 1 2 243.310 2.709 20 0 BFADLO c1c(CNc2cccc[nH+]2)onc1C1CC1 ZINC000638395196 352202589 /nfs/dbraw/zinc/20/25/89/352202589.db2.gz TXDXRPOMENFVFR-UHFFFAOYSA-N 1 2 215.256 2.559 20 0 BFADLO CCc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000293543339 352354619 /nfs/dbraw/zinc/35/46/19/352354619.db2.gz YFJYNJJKRUHZHJ-BDAKNGLRSA-N 1 2 210.346 2.546 20 0 BFADLO CCc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000293543339 352354622 /nfs/dbraw/zinc/35/46/22/352354622.db2.gz YFJYNJJKRUHZHJ-BDAKNGLRSA-N 1 2 210.346 2.546 20 0 BFADLO Cn1cc[nH+]c1CN1CCc2c1cccc2Cl ZINC000156039998 180742250 /nfs/dbraw/zinc/74/22/50/180742250.db2.gz MKRKPYUGFQRFQE-UHFFFAOYSA-N 1 2 247.729 2.636 20 0 BFADLO CCc1cc(NCCOCCC(C)C)nc[nH+]1 ZINC000045108099 352564562 /nfs/dbraw/zinc/56/45/62/352564562.db2.gz NZEBZKXRDAZJKM-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO CSCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411930287 191229799 /nfs/dbraw/zinc/22/97/99/191229799.db2.gz YVOBRADBGLEDOF-UHFFFAOYSA-N 1 2 235.352 2.568 20 0 BFADLO CSCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411930287 191229800 /nfs/dbraw/zinc/22/98/00/191229800.db2.gz YVOBRADBGLEDOF-UHFFFAOYSA-N 1 2 235.352 2.568 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1occc1C ZINC000412024612 191239994 /nfs/dbraw/zinc/23/99/94/191239994.db2.gz GASQYYDXFPGDKD-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1occc1C ZINC000412024612 191239996 /nfs/dbraw/zinc/23/99/96/191239996.db2.gz GASQYYDXFPGDKD-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@H+](Cc1occc1C)Cc1cnc(C)cn1 ZINC000412031376 191240680 /nfs/dbraw/zinc/24/06/80/191240680.db2.gz XTZMHVAQVQOJHM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO CC[N@@H+](Cc1occc1C)Cc1cnc(C)cn1 ZINC000412031376 191240683 /nfs/dbraw/zinc/24/06/83/191240683.db2.gz XTZMHVAQVQOJHM-UHFFFAOYSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1ncccc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638785945 352741046 /nfs/dbraw/zinc/74/10/46/352741046.db2.gz HTQRGPZAVSLIBW-ZDUSSCGKSA-N 1 2 242.326 2.687 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000334214224 352812324 /nfs/dbraw/zinc/81/23/24/352812324.db2.gz IXNUHUGWQLNHOD-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc3ccc(F)cc3[nH]2)CCO1 ZINC000334214224 352812327 /nfs/dbraw/zinc/81/23/27/352812327.db2.gz IXNUHUGWQLNHOD-JTQLQIEISA-N 1 2 248.301 2.528 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+]1CCC=C(F)C1 ZINC000334219025 352821469 /nfs/dbraw/zinc/82/14/69/352821469.db2.gz UGFDYZJSTCZCNG-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO C[C@H](c1ccccn1)[N@H+]1CCC=C(F)C1 ZINC000334219025 352821472 /nfs/dbraw/zinc/82/14/72/352821472.db2.gz UGFDYZJSTCZCNG-SNVBAGLBSA-N 1 2 206.264 2.702 20 0 BFADLO CCc1nc(C[N@@H+](CC)C2CC(C)(C)C2)no1 ZINC000412041168 191250237 /nfs/dbraw/zinc/25/02/37/191250237.db2.gz SJXIYXKLLBLDFO-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO CCc1nc(C[N@H+](CC)C2CC(C)(C)C2)no1 ZINC000412041168 191250239 /nfs/dbraw/zinc/25/02/39/191250239.db2.gz SJXIYXKLLBLDFO-UHFFFAOYSA-N 1 2 237.347 2.643 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000334194874 352786943 /nfs/dbraw/zinc/78/69/43/352786943.db2.gz LPCAEZJIYPIOKR-GHMZBOCLSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000334194874 352786947 /nfs/dbraw/zinc/78/69/47/352786947.db2.gz LPCAEZJIYPIOKR-GHMZBOCLSA-N 1 2 233.302 2.675 20 0 BFADLO c1cn2c(n1)C[N@H+]([C@@H]1/C=C/CCCCC1)CC2 ZINC000334199951 352792298 /nfs/dbraw/zinc/79/22/98/352792298.db2.gz PXRYBWJWLRTTBP-DIECRNLCSA-N 1 2 231.343 2.588 20 0 BFADLO c1cn2c(n1)C[N@@H+]([C@@H]1/C=C/CCCCC1)CC2 ZINC000334199951 352792300 /nfs/dbraw/zinc/79/23/00/352792300.db2.gz PXRYBWJWLRTTBP-DIECRNLCSA-N 1 2 231.343 2.588 20 0 BFADLO C/C=C\C[C@H]([NH2+]C1CC(CC)C1)C(=O)OCC ZINC000342854351 352876243 /nfs/dbraw/zinc/87/62/43/352876243.db2.gz QGSSRJUDCLLGGM-JQBDHSPNSA-N 1 2 239.359 2.663 20 0 BFADLO c1[nH+]c2ccccn2c1CS[C@@H]1CCCOC1 ZINC000334285350 352924890 /nfs/dbraw/zinc/92/48/90/352924890.db2.gz GKEQUFKQQZRRNZ-GFCCVEGCSA-N 1 2 248.351 2.747 20 0 BFADLO Cc1csc(CN2CCC[C@H]2c2[nH]cc[nH+]2)n1 ZINC000334322662 352960073 /nfs/dbraw/zinc/96/00/73/352960073.db2.gz IULIXPLAOAVCPY-JTQLQIEISA-N 1 2 248.355 2.512 20 0 BFADLO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)sn1 ZINC000638909631 353067032 /nfs/dbraw/zinc/06/70/32/353067032.db2.gz HOUFGVQQSYKJDG-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)sn1 ZINC000638909631 353067033 /nfs/dbraw/zinc/06/70/33/353067033.db2.gz HOUFGVQQSYKJDG-LDYMZIIASA-N 1 2 228.336 2.631 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2nccn2C)c1C ZINC000638919605 353078035 /nfs/dbraw/zinc/07/80/35/353078035.db2.gz KRTJBPOYVOILDH-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2nccn2C)c1C ZINC000638919605 353078038 /nfs/dbraw/zinc/07/80/38/353078038.db2.gz KRTJBPOYVOILDH-UHFFFAOYSA-N 1 2 249.383 2.730 20 0 BFADLO FC(F)(F)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000307427311 180883839 /nfs/dbraw/zinc/88/38/39/180883839.db2.gz SAFYMHUJZQEIRA-AMDVSUOASA-N 1 2 207.239 2.717 20 0 BFADLO CC(C)Oc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715349 188125652 /nfs/dbraw/zinc/12/56/52/188125652.db2.gz RRVBXAVWYKCYCT-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO COc1cc(N[C@H](C)c2[nH]cc[nH+]2)cc(OC)c1 ZINC000285956937 538110473 /nfs/dbraw/zinc/11/04/73/538110473.db2.gz FGIQEEPUOPDKHT-SECBINFHSA-N 1 2 247.298 2.600 20 0 BFADLO CC(C)(C)c1nc(C[NH+]2CCC3(CC3)CC2)no1 ZINC000363459211 188130196 /nfs/dbraw/zinc/13/01/96/188130196.db2.gz IMWCZXGJFCEYNO-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)C[C@H](C)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000151676079 188156851 /nfs/dbraw/zinc/15/68/51/188156851.db2.gz SIAXACKATNKNFO-JTQLQIEISA-N 1 2 235.331 2.675 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)c1 ZINC000180155948 188166965 /nfs/dbraw/zinc/16/69/65/188166965.db2.gz HONVVPMFAPLIHR-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)c1 ZINC000180155948 188166967 /nfs/dbraw/zinc/16/69/67/188166967.db2.gz HONVVPMFAPLIHR-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO CC(C)[N@@H+](Cc1ccon1)Cc1ccco1 ZINC000265802914 188194944 /nfs/dbraw/zinc/19/49/44/188194944.db2.gz CNXBBIAERXYJKM-UHFFFAOYSA-N 1 2 220.272 2.678 20 0 BFADLO CC(C)[N@H+](Cc1ccon1)Cc1ccco1 ZINC000265802914 188194946 /nfs/dbraw/zinc/19/49/46/188194946.db2.gz CNXBBIAERXYJKM-UHFFFAOYSA-N 1 2 220.272 2.678 20 0 BFADLO Cc1ccnc(C[N@@H+](C)[C@@H](C)c2ccco2)n1 ZINC000336686145 188182585 /nfs/dbraw/zinc/18/25/85/188182585.db2.gz FWTCRSQANPREOW-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccnc(C[N@H+](C)[C@@H](C)c2ccco2)n1 ZINC000336686145 188182587 /nfs/dbraw/zinc/18/25/87/188182587.db2.gz FWTCRSQANPREOW-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCCC[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000337454510 188186749 /nfs/dbraw/zinc/18/67/49/188186749.db2.gz JLZPVTNYXOEQQW-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1nc(N(CC(F)F)CC2CCC2)cc[nH+]1 ZINC000341391797 188218081 /nfs/dbraw/zinc/21/80/81/188218081.db2.gz UQLPNSHNLRQICG-UHFFFAOYSA-N 1 2 241.285 2.657 20 0 BFADLO Cc1ccc(Cc2noc([C@@H]3CC3(C)C)n2)c[nH+]1 ZINC000274041891 188200575 /nfs/dbraw/zinc/20/05/75/188200575.db2.gz ZMUYJHZUMGGUGY-NSHDSACASA-N 1 2 243.310 2.877 20 0 BFADLO c1coc(C2=CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000285331215 188208285 /nfs/dbraw/zinc/20/82/85/188208285.db2.gz NVSMDYATUVYYJS-UHFFFAOYSA-N 1 2 230.267 2.557 20 0 BFADLO c1coc(C2=CCC[N@H+](Cc3ccon3)C2)c1 ZINC000285331215 188208287 /nfs/dbraw/zinc/20/82/87/188208287.db2.gz NVSMDYATUVYYJS-UHFFFAOYSA-N 1 2 230.267 2.557 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC(C)CC1 ZINC000287462297 188208950 /nfs/dbraw/zinc/20/89/50/188208950.db2.gz IUWWDCYCMLDHCU-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO COc1ccc(N[C@H](C)CC2CC2)[nH+]c1 ZINC000225833719 538114148 /nfs/dbraw/zinc/11/41/48/538114148.db2.gz DSKPCCJAQKLFAX-SECBINFHSA-N 1 2 206.289 2.691 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCCOC2)nc(C(C)C)[nH+]1 ZINC000343270302 353288679 /nfs/dbraw/zinc/28/86/79/353288679.db2.gz LTZGMSWLSDUSJS-GFCCVEGCSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225835804 538114308 /nfs/dbraw/zinc/11/43/08/538114308.db2.gz FFLIKYSRAQULQR-UWVGGRQHSA-N 1 2 208.305 2.937 20 0 BFADLO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccns1 ZINC000639040923 353318429 /nfs/dbraw/zinc/31/84/29/353318429.db2.gz PRQCVXVUASZDJA-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccns1 ZINC000639040923 353318430 /nfs/dbraw/zinc/31/84/30/353318430.db2.gz PRQCVXVUASZDJA-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000190499480 353360367 /nfs/dbraw/zinc/36/03/67/353360367.db2.gz IJMAKNPIVPERTL-GFCCVEGCSA-N 1 2 249.345 2.905 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000190499480 353360368 /nfs/dbraw/zinc/36/03/68/353360368.db2.gz IJMAKNPIVPERTL-GFCCVEGCSA-N 1 2 249.345 2.905 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CC(C2CCCCC2)C1 ZINC000334510089 353431080 /nfs/dbraw/zinc/43/10/80/353431080.db2.gz AVWNRTFIQAACFG-UHFFFAOYSA-N 1 2 233.359 2.730 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@](C)(O)C1 ZINC000230473114 353501441 /nfs/dbraw/zinc/50/14/41/353501441.db2.gz PNAGNNISMDZODT-OAHLLOKOSA-N 1 2 242.322 2.504 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N1CC[C@](C)(O)C1 ZINC000230473158 353501448 /nfs/dbraw/zinc/50/14/48/353501448.db2.gz PNAGNNISMDZODT-HNNXBMFYSA-N 1 2 242.322 2.504 20 0 BFADLO Cc1nc(N(C)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000361149167 188425358 /nfs/dbraw/zinc/42/53/58/188425358.db2.gz IUOUAIBPZUWYEP-LLVKDONJSA-N 1 2 227.311 2.982 20 0 BFADLO Fc1cccc2c1CN(c1cccc[nH+]1)CCO2 ZINC000336382285 181006933 /nfs/dbraw/zinc/00/69/33/181006933.db2.gz NQWAYKROLAYXDU-UHFFFAOYSA-N 1 2 244.269 2.620 20 0 BFADLO Fc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294261553 181003157 /nfs/dbraw/zinc/00/31/57/181003157.db2.gz XFTSDWHKZDJVCL-NSHDSACASA-N 1 2 217.247 2.579 20 0 BFADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)c1 ZINC000180155963 181004035 /nfs/dbraw/zinc/00/40/35/181004035.db2.gz HONVVPMFAPLIHR-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)c1 ZINC000180155963 181004036 /nfs/dbraw/zinc/00/40/36/181004036.db2.gz HONVVPMFAPLIHR-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1CSCCn1cc[nH+]c1 ZINC000090199210 181013059 /nfs/dbraw/zinc/01/30/59/181013059.db2.gz VHVLZCIVHIOHCE-UHFFFAOYSA-N 1 2 236.315 2.956 20 0 BFADLO CC1(C)CCC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000232780346 353763651 /nfs/dbraw/zinc/76/36/51/353763651.db2.gz CLOPGJLNHJSRFG-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO CC1(C)CCC[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000232780346 353763653 /nfs/dbraw/zinc/76/36/53/353763653.db2.gz CLOPGJLNHJSRFG-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@@H](C(C)(C)C)C2)nc[nH+]1 ZINC000343430322 353883845 /nfs/dbraw/zinc/88/38/45/353883845.db2.gz UKSDHYMDRLYINY-VXGBXAGGSA-N 1 2 249.358 2.791 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CC[C@@H](C2CC2)C1 ZINC000343440323 353887821 /nfs/dbraw/zinc/88/78/21/353887821.db2.gz NKHGRLGHHKXTSP-GFCCVEGCSA-N 1 2 241.338 2.810 20 0 BFADLO Cc1nc(N(C)C[C@@H]2CC=CCC2)cc[nH+]1 ZINC000343451967 353893627 /nfs/dbraw/zinc/89/36/27/353893627.db2.gz GOHNPQOGVASEQQ-GFCCVEGCSA-N 1 2 217.316 2.578 20 0 BFADLO Cc1cc(NC(=O)CC2(C)CCCC2)cc[nH+]1 ZINC000343687638 353964463 /nfs/dbraw/zinc/96/44/63/353964463.db2.gz RXLXXSMGZMTDDQ-UHFFFAOYSA-N 1 2 232.327 2.721 20 0 BFADLO Cc1[nH+]cccc1NCc1ccc2c(n1)CCC2 ZINC000334559131 354008275 /nfs/dbraw/zinc/00/82/75/354008275.db2.gz UAOQSMKGNCYPSD-UHFFFAOYSA-N 1 2 239.322 2.886 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343807013 354010222 /nfs/dbraw/zinc/01/02/22/354010222.db2.gz NWHJBYHMTUXSJQ-NSHDSACASA-N 1 2 246.358 2.899 20 0 BFADLO CC1(C)CC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343807013 354010224 /nfs/dbraw/zinc/01/02/24/354010224.db2.gz NWHJBYHMTUXSJQ-NSHDSACASA-N 1 2 246.358 2.899 20 0 BFADLO Cc1nc(N2CC[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000343877432 354031036 /nfs/dbraw/zinc/03/10/36/354031036.db2.gz PGNWCULXVPTCRR-NSHDSACASA-N 1 2 219.332 2.657 20 0 BFADLO COc1cc[nH+]cc1CSc1ccccn1 ZINC000343838129 354036004 /nfs/dbraw/zinc/03/60/04/354036004.db2.gz XWBIOFFSTFNBEL-UHFFFAOYSA-N 1 2 232.308 2.778 20 0 BFADLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cnccn1 ZINC000334565658 354086162 /nfs/dbraw/zinc/08/61/62/354086162.db2.gz QCXNPINHIFEHSJ-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cnccn1 ZINC000334565658 354086164 /nfs/dbraw/zinc/08/61/64/354086164.db2.gz QCXNPINHIFEHSJ-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO CCC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C ZINC000613455865 363299492 /nfs/dbraw/zinc/29/94/92/363299492.db2.gz JZMRQFCZOIGPPL-OCCSQVGLSA-N 1 2 249.354 2.987 20 0 BFADLO Cc1nc(NC[C@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000230691465 363319885 /nfs/dbraw/zinc/31/98/85/363319885.db2.gz MWTFQDPXNNNIML-GXSJLCMTSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc(NC[C@@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000230691463 363320146 /nfs/dbraw/zinc/32/01/46/363320146.db2.gz MWTFQDPXNNNIML-ONGXEEELSA-N 1 2 205.305 2.633 20 0 BFADLO C[N@H+](CCc1ccccc1O)Cc1cscn1 ZINC000344175388 354173049 /nfs/dbraw/zinc/17/30/49/354173049.db2.gz XAJNUARBPVCYRS-UHFFFAOYSA-N 1 2 248.351 2.523 20 0 BFADLO C[N@@H+](CCc1ccccc1O)Cc1cscn1 ZINC000344175388 354173052 /nfs/dbraw/zinc/17/30/52/354173052.db2.gz XAJNUARBPVCYRS-UHFFFAOYSA-N 1 2 248.351 2.523 20 0 BFADLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccoc2C)n1 ZINC000334580242 354196222 /nfs/dbraw/zinc/19/62/22/354196222.db2.gz MSTMGJQOHJBXLY-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccoc2C)n1 ZINC000334580242 354196225 /nfs/dbraw/zinc/19/62/25/354196225.db2.gz MSTMGJQOHJBXLY-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)o1 ZINC000639185464 354380465 /nfs/dbraw/zinc/38/04/65/354380465.db2.gz BAUZAPFSZZUFFE-QMTHXVAHSA-N 1 2 244.294 2.595 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCCC23CCC3)no1 ZINC000334642848 354399224 /nfs/dbraw/zinc/39/92/24/354399224.db2.gz AVSGVHPCDGOLJS-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCCC23CCC3)no1 ZINC000334642848 354399226 /nfs/dbraw/zinc/39/92/26/354399226.db2.gz AVSGVHPCDGOLJS-UHFFFAOYSA-N 1 2 249.358 2.886 20 0 BFADLO C[C@H]1CC[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000334667062 354406144 /nfs/dbraw/zinc/40/61/44/354406144.db2.gz VHUFGUAHTPAWMM-QWRGUYRKSA-N 1 2 247.342 2.594 20 0 BFADLO CC1=CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334684080 354430173 /nfs/dbraw/zinc/43/01/73/354430173.db2.gz LFQUDKZHMJAQHQ-UHFFFAOYSA-N 1 2 235.356 2.568 20 0 BFADLO CC1=CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000334684080 354430177 /nfs/dbraw/zinc/43/01/77/354430177.db2.gz LFQUDKZHMJAQHQ-UHFFFAOYSA-N 1 2 235.356 2.568 20 0 BFADLO CC[C@H]1CCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334690312 354478468 /nfs/dbraw/zinc/47/84/68/354478468.db2.gz RZGZXBHPXHZDMC-NSHDSACASA-N 1 2 233.315 2.715 20 0 BFADLO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639189003 354440949 /nfs/dbraw/zinc/44/09/49/354440949.db2.gz WNIUFMBXJTXLFU-MAUMQABQSA-N 1 2 207.239 2.573 20 0 BFADLO CC(C)OC1CC([N@@H+]2CC[C@H](C)C(F)(F)C2)C1 ZINC000334726937 354527170 /nfs/dbraw/zinc/52/71/70/354527170.db2.gz UKOPPAMGQFFYST-UNXYVOJBSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)OC1CC([N@H+]2CC[C@H](C)C(F)(F)C2)C1 ZINC000334726937 354527173 /nfs/dbraw/zinc/52/71/73/354527173.db2.gz UKOPPAMGQFFYST-UNXYVOJBSA-N 1 2 247.329 2.920 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H]2C(C)C)c(C)[nH+]1 ZINC000334698371 354490388 /nfs/dbraw/zinc/49/03/88/354490388.db2.gz RPLNJBYMLKJLCX-ZDUSSCGKSA-N 1 2 247.342 2.961 20 0 BFADLO Cc1cc(C)c(NC(=O)N[C@@H]2CC[C@H]2C)c(C)[nH+]1 ZINC000334710219 354506784 /nfs/dbraw/zinc/50/67/84/354506784.db2.gz ZZZXUMYKBXXFTM-PRHODGIISA-N 1 2 247.342 2.927 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@H](C)[C@@H]2C)[nH+]1 ZINC000334710783 354507679 /nfs/dbraw/zinc/50/76/79/354507679.db2.gz PRSWOTXGQYGMRR-IUCAKERBSA-N 1 2 230.315 2.501 20 0 BFADLO C[C@@H](C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)C1CCC1 ZINC000334712455 354509597 /nfs/dbraw/zinc/50/95/97/354509597.db2.gz QBKFVFRIXGRDTM-ZYHUDNBSSA-N 1 2 247.342 2.509 20 0 BFADLO Clc1cccc2c1C[N@H+](Cc1ccno1)CC2 ZINC000334797223 354551746 /nfs/dbraw/zinc/55/17/46/354551746.db2.gz HFSZHZCQHPTEOK-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO Clc1cccc2c1C[N@@H+](Cc1ccno1)CC2 ZINC000334797223 354551748 /nfs/dbraw/zinc/55/17/48/354551748.db2.gz HFSZHZCQHPTEOK-UHFFFAOYSA-N 1 2 248.713 2.886 20 0 BFADLO C[C@H]1CCCCC[N@@H+]1Cc1nc(C(F)F)no1 ZINC000335121595 354760261 /nfs/dbraw/zinc/76/02/61/354760261.db2.gz LHMATBHUTSRANE-QMMMGPOBSA-N 1 2 245.273 2.772 20 0 BFADLO C[C@H]1CCCCC[N@H+]1Cc1nc(C(F)F)no1 ZINC000335121595 354760262 /nfs/dbraw/zinc/76/02/62/354760262.db2.gz LHMATBHUTSRANE-QMMMGPOBSA-N 1 2 245.273 2.772 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccoc2)cs1 ZINC000087289982 491067554 /nfs/dbraw/zinc/06/75/54/491067554.db2.gz RBRIFJVCMGAQJX-QMMMGPOBSA-N 1 2 222.313 2.895 20 0 BFADLO CCC[C@@H](CC)Nc1nc[nH+]c(N)c1Cl ZINC000233285264 363398482 /nfs/dbraw/zinc/39/84/82/363398482.db2.gz GPSGILUMPXYCKL-SSDOTTSWSA-N 1 2 228.727 2.703 20 0 BFADLO CCC[C@@H](CC)Nc1[nH+]cnc(N)c1Cl ZINC000233285264 363398485 /nfs/dbraw/zinc/39/84/85/363398485.db2.gz GPSGILUMPXYCKL-SSDOTTSWSA-N 1 2 228.727 2.703 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC[C@H]2C)no1 ZINC000053602535 363418608 /nfs/dbraw/zinc/41/86/08/363418608.db2.gz FOJYBUMHVVNVAM-SNVBAGLBSA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC[C@H]2C)no1 ZINC000053602535 363418613 /nfs/dbraw/zinc/41/86/13/363418613.db2.gz FOJYBUMHVVNVAM-SNVBAGLBSA-N 1 2 223.320 2.567 20 0 BFADLO CCC1CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000053611613 363420988 /nfs/dbraw/zinc/42/09/88/363420988.db2.gz RHHZVKNLKSAGFS-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC1=C(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CCC1 ZINC000335160701 354912444 /nfs/dbraw/zinc/91/24/44/354912444.db2.gz YZQHFXDJEATSSG-CMPLNLGQSA-N 1 2 245.326 2.506 20 0 BFADLO COCC[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346412552 354916393 /nfs/dbraw/zinc/91/63/93/354916393.db2.gz ALKQRDCFCOOYQN-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO CCOC[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346422172 354924270 /nfs/dbraw/zinc/92/42/70/354924270.db2.gz WZLAYYURRITCQZ-LBPRGKRZSA-N 1 2 249.358 2.519 20 0 BFADLO c1cc(NCC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346601557 354989246 /nfs/dbraw/zinc/98/92/46/354989246.db2.gz IFXQYWXPBUIRAB-UHFFFAOYSA-N 1 2 231.343 2.768 20 0 BFADLO Cc1cc(NCc2ccccc2)nc(C2CC2)[nH+]1 ZINC000346657409 355004817 /nfs/dbraw/zinc/00/48/17/355004817.db2.gz QBWJUUQPHYMZDJ-UHFFFAOYSA-N 1 2 239.322 2.696 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC[C@@H](C)[C@@H](C)C2)[nH+]1 ZINC000346696880 355060472 /nfs/dbraw/zinc/06/04/72/355060472.db2.gz XEBHUEOPWYOYAH-ZJUUUORDSA-N 1 2 244.342 2.749 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cocn2)ccc1F ZINC000346858289 355117867 /nfs/dbraw/zinc/11/78/67/355117867.db2.gz OFBARLZONMUSQU-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CC=CCC2)cc[nH+]1 ZINC000346946609 355161541 /nfs/dbraw/zinc/16/15/41/355161541.db2.gz OIQHPYLVDWMJHU-GFCCVEGCSA-N 1 2 231.343 2.790 20 0 BFADLO CC[C@H]1CCCN1c1cc[nH+]c(C(C)C)n1 ZINC000347003621 355201658 /nfs/dbraw/zinc/20/16/58/355201658.db2.gz HGBOWNMCQNUUPP-NSHDSACASA-N 1 2 219.332 2.979 20 0 BFADLO CC1(C)CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413147594 191359011 /nfs/dbraw/zinc/35/90/11/191359011.db2.gz ZPRPQEWLLGVFTO-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC1(C)CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413147594 191359012 /nfs/dbraw/zinc/35/90/12/191359012.db2.gz ZPRPQEWLLGVFTO-UHFFFAOYSA-N 1 2 246.358 2.677 20 0 BFADLO CC(C)[C@@H]1CCCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413077706 191354640 /nfs/dbraw/zinc/35/46/40/191354640.db2.gz BQRUAFRYKQBCFD-LBPRGKRZSA-N 1 2 246.358 2.676 20 0 BFADLO CC(C)[C@@H]1CCCN1c1cc(NC2CC2)nc[nH+]1 ZINC000413077706 191354643 /nfs/dbraw/zinc/35/46/43/191354643.db2.gz BQRUAFRYKQBCFD-LBPRGKRZSA-N 1 2 246.358 2.676 20 0 BFADLO CN(c1cc(NC2CC2)[nH+]cn1)C1CC(C)(C)C1 ZINC000413439883 191383894 /nfs/dbraw/zinc/38/38/94/191383894.db2.gz ODRFWRAOQBBHQM-UHFFFAOYSA-N 1 2 246.358 2.676 20 0 BFADLO CN(c1cc(NC2CC2)nc[nH+]1)C1CC(C)(C)C1 ZINC000413439883 191383897 /nfs/dbraw/zinc/38/38/97/191383897.db2.gz ODRFWRAOQBBHQM-UHFFFAOYSA-N 1 2 246.358 2.676 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCCC[C@H]2F)cc[nH+]1 ZINC000413532530 191392843 /nfs/dbraw/zinc/39/28/43/191392843.db2.gz OILIRNCZWCNXRV-GHMZBOCLSA-N 1 2 237.322 2.715 20 0 BFADLO Cc1cc(N[C@@H]2CCCC[C@H]2F)nc(C2CC2)[nH+]1 ZINC000413535949 191394192 /nfs/dbraw/zinc/39/41/92/191394192.db2.gz UVOFBTDLRUDLRL-VXGBXAGGSA-N 1 2 249.333 2.777 20 0 BFADLO c1cc(N[C@H](C2CC2)C2CCC2)nc(C2CC2)[nH+]1 ZINC000413358932 191374572 /nfs/dbraw/zinc/37/45/72/191374572.db2.gz LNSHDAUYDAYAEK-AWEZNQCLSA-N 1 2 243.354 2.767 20 0 BFADLO c1cc(N[C@@H](C2CC2)C2CCC2)nc(C2CC2)[nH+]1 ZINC000413358933 191374759 /nfs/dbraw/zinc/37/47/59/191374759.db2.gz LNSHDAUYDAYAEK-CQSZACIVSA-N 1 2 243.354 2.767 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC(C(C)(C)C)C2)[nH+]1 ZINC000413362782 191375117 /nfs/dbraw/zinc/37/51/17/191375117.db2.gz MHESXVJNPDRUEH-UHFFFAOYSA-N 1 2 244.342 2.749 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)C2CC(C)(C)C2)[nH+]1 ZINC000413436877 191380113 /nfs/dbraw/zinc/38/01/13/191380113.db2.gz JDYSCAHRZSUNAD-UHFFFAOYSA-N 1 2 244.342 2.891 20 0 BFADLO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000639276491 355350052 /nfs/dbraw/zinc/35/00/52/355350052.db2.gz CRRNQHJNCGKYGQ-QWHCGFSZSA-N 1 2 248.326 2.870 20 0 BFADLO C[C@@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639277468 355357917 /nfs/dbraw/zinc/35/79/17/355357917.db2.gz NMYFGSWWJFLAMI-DOLQZWNJSA-N 1 2 221.266 2.963 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CC1CCC1 ZINC000335777695 355404062 /nfs/dbraw/zinc/40/40/62/355404062.db2.gz PTEWCSNSXWHZKZ-UHFFFAOYSA-N 1 2 247.342 2.962 20 0 BFADLO CC[C@@](C)(C[N@@H+]1CCCC(F)(F)C1)OC ZINC000639290035 355443191 /nfs/dbraw/zinc/44/31/91/355443191.db2.gz QLFDYFXWILFLFR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@@](C)(C[N@H+]1CCCC(F)(F)C1)OC ZINC000639290035 355443192 /nfs/dbraw/zinc/44/31/92/355443192.db2.gz QLFDYFXWILFLFR-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO C[C@H]1C[N@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000349787868 355462695 /nfs/dbraw/zinc/46/26/95/355462695.db2.gz NTLFEHFEUJZOQV-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CCO1 ZINC000349787868 355462699 /nfs/dbraw/zinc/46/26/99/355462699.db2.gz NTLFEHFEUJZOQV-JTQLQIEISA-N 1 2 249.285 2.793 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cc(C)ccc2F)CCO1 ZINC000349817287 355468525 /nfs/dbraw/zinc/46/85/25/355468525.db2.gz UUBWZWYQBSUECU-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2F)CCO1 ZINC000349817287 355468529 /nfs/dbraw/zinc/46/85/29/355468529.db2.gz UUBWZWYQBSUECU-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2F)CCO1 ZINC000349817286 355468607 /nfs/dbraw/zinc/46/86/07/355468607.db2.gz UUBWZWYQBSUECU-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)CCO1 ZINC000349817286 355468609 /nfs/dbraw/zinc/46/86/09/355468609.db2.gz UUBWZWYQBSUECU-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000335806422 355477831 /nfs/dbraw/zinc/47/78/31/355477831.db2.gz HLINGMUEVUOJQL-GFCCVEGCSA-N 1 2 247.269 2.950 20 0 BFADLO C[NH2+]Cc1noc(CC[C@H](C)c2ccccc2)n1 ZINC000349938130 355531414 /nfs/dbraw/zinc/53/14/14/355531414.db2.gz WBEMXZMKQIGZRP-NSHDSACASA-N 1 2 245.326 2.525 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC2(C)C)no1 ZINC000335826014 355550138 /nfs/dbraw/zinc/55/01/38/355550138.db2.gz WDRDAXBNPZFSIP-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC2(C)C)no1 ZINC000335826014 355550142 /nfs/dbraw/zinc/55/01/42/355550142.db2.gz WDRDAXBNPZFSIP-UHFFFAOYSA-N 1 2 223.320 2.567 20 0 BFADLO CCc1cc[nH+]cc1NCc1cc(OC)ns1 ZINC000639294098 355553484 /nfs/dbraw/zinc/55/34/84/355553484.db2.gz IORPJPDHMDDYPS-UHFFFAOYSA-N 1 2 249.339 2.721 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)[C@H]1CCCO1 ZINC000639292969 355524997 /nfs/dbraw/zinc/52/49/97/355524997.db2.gz POYIGXJRIHKYPU-NXEZZACHSA-N 1 2 238.356 2.783 20 0 BFADLO CCCC[C@H](CC)Cc1nc(C[NH2+]C)no1 ZINC000349922000 355528382 /nfs/dbraw/zinc/52/83/82/355528382.db2.gz PKSVSIMATDODRX-JTQLQIEISA-N 1 2 225.336 2.548 20 0 BFADLO C[C@H](CC1CCOCC1)C[N@@H+]1CCC(F)(F)C1 ZINC000350006190 355574039 /nfs/dbraw/zinc/57/40/39/355574039.db2.gz IJNOQZVMKBRNAW-LLVKDONJSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H](CC1CCOCC1)C[N@H+]1CCC(F)(F)C1 ZINC000350006190 355574043 /nfs/dbraw/zinc/57/40/43/355574043.db2.gz IJNOQZVMKBRNAW-LLVKDONJSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@H](Nc1c[nH+]cc2c1CCCC2)[C@H]1CCCO1 ZINC000639303500 355653883 /nfs/dbraw/zinc/65/38/83/355653883.db2.gz RPQXEPOTAHGZFQ-XHDPSFHLSA-N 1 2 246.354 2.940 20 0 BFADLO C[C@H](Nc1c[nH+]cc2c1CCCC2)[C@@H]1CCCO1 ZINC000639303499 355654004 /nfs/dbraw/zinc/65/40/04/355654004.db2.gz RPQXEPOTAHGZFQ-NHYWBVRUSA-N 1 2 246.354 2.940 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cocn2)cc1C ZINC000449762100 202026491 /nfs/dbraw/zinc/02/64/91/202026491.db2.gz DYGSNHRQBGTNOG-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cocn2)cc1C ZINC000449762100 202026495 /nfs/dbraw/zinc/02/64/95/202026495.db2.gz DYGSNHRQBGTNOG-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CCn2ccnc2C1 ZINC000335866931 355631784 /nfs/dbraw/zinc/63/17/84/355631784.db2.gz IURIDEAAQJDDIC-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CCn2ccnc2C1 ZINC000335866931 355631786 /nfs/dbraw/zinc/63/17/86/355631786.db2.gz IURIDEAAQJDDIC-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(Cc2noc(C[C@H]3C[C@@H]3C)n2)c[nH+]1 ZINC000350409621 355698537 /nfs/dbraw/zinc/69/85/37/355698537.db2.gz DKRIAKCYWQOJHX-JOYOIKCWSA-N 1 2 243.310 2.562 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000639313769 355683373 /nfs/dbraw/zinc/68/33/73/355683373.db2.gz YAEDWWLIDYWMAB-JTQLQIEISA-N 1 2 234.274 2.762 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000639313769 355683375 /nfs/dbraw/zinc/68/33/75/355683375.db2.gz YAEDWWLIDYWMAB-JTQLQIEISA-N 1 2 234.274 2.762 20 0 BFADLO C[C@@H]1COCC[N@@H+]1CCc1ccccc1Cl ZINC000350647070 355736784 /nfs/dbraw/zinc/73/67/84/355736784.db2.gz MWLSZUHQFDLVBR-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO C[C@@H]1COCC[N@H+]1CCc1ccccc1Cl ZINC000350647070 355736787 /nfs/dbraw/zinc/73/67/87/355736787.db2.gz MWLSZUHQFDLVBR-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000608497633 355824532 /nfs/dbraw/zinc/82/45/32/355824532.db2.gz ITHBTAGOYPBLNC-ZJUUUORDSA-N 1 2 240.372 2.563 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@@H](C)[C@H]2C)o1 ZINC000608497633 355824536 /nfs/dbraw/zinc/82/45/36/355824536.db2.gz ITHBTAGOYPBLNC-ZJUUUORDSA-N 1 2 240.372 2.563 20 0 BFADLO CCCc1nc(C[NH+]2C3CCCC2CCC3)no1 ZINC000608498922 355827175 /nfs/dbraw/zinc/82/71/75/355827175.db2.gz JYGBDUNWLOVHRM-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO CCc1nc(C[NH+]2CC(CC(F)F)C2)cs1 ZINC000425367303 191828246 /nfs/dbraw/zinc/82/82/46/191828246.db2.gz SHDONJQAPWXVEX-UHFFFAOYSA-N 1 2 246.326 2.793 20 0 BFADLO CC[C@@H]1C[C@@H](Nc2c[nH+]cc(N(C)C)c2)CCO1 ZINC000639364241 355833531 /nfs/dbraw/zinc/83/35/31/355833531.db2.gz GYJGXMOYXYWNGA-SMDDNHRTSA-N 1 2 249.358 2.517 20 0 BFADLO CC(C)[C@@H]1CCC[N@@H+]1Cc1nnsc1Cl ZINC000063618701 355833579 /nfs/dbraw/zinc/83/35/79/355833579.db2.gz MGAYXYINBPIORJ-VIFPVBQESA-N 1 2 245.779 2.812 20 0 BFADLO CC(C)[C@@H]1CCC[N@H+]1Cc1nnsc1Cl ZINC000063618701 355833581 /nfs/dbraw/zinc/83/35/81/355833581.db2.gz MGAYXYINBPIORJ-VIFPVBQESA-N 1 2 245.779 2.812 20 0 BFADLO Cc1[nH]c(CN2CCC(CCF)CC2)[nH+]c1C ZINC000639376424 355899178 /nfs/dbraw/zinc/89/91/78/355899178.db2.gz INPNXUOIZIUKDE-UHFFFAOYSA-N 1 2 239.338 2.598 20 0 BFADLO CCCN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000167452201 356006686 /nfs/dbraw/zinc/00/66/86/356006686.db2.gz XVFWOVWISFQVAK-UHFFFAOYSA-N 1 2 219.332 2.979 20 0 BFADLO CC(C)n1c[nH+]cc1CN[C@@H](C)C(F)(F)F ZINC000389285971 355950101 /nfs/dbraw/zinc/95/01/01/355950101.db2.gz VNQMSRMYAYENTL-QMMMGPOBSA-N 1 2 235.253 2.504 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2c(C)cccc2C)n1 ZINC000351591074 356023727 /nfs/dbraw/zinc/02/37/27/356023727.db2.gz BGHQQKARGKNVSK-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCC(F)(F)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000639439553 356216278 /nfs/dbraw/zinc/21/62/78/356216278.db2.gz ILQNNHCMSRUIAO-JTQLQIEISA-N 1 2 228.286 2.910 20 0 BFADLO CCC(F)(F)C[N@H+]1CCn2cccc2[C@@H]1C ZINC000639439553 356216284 /nfs/dbraw/zinc/21/62/84/356216284.db2.gz ILQNNHCMSRUIAO-JTQLQIEISA-N 1 2 228.286 2.910 20 0 BFADLO CC(=O)C[N@H+](Cc1ccccc1F)C(C)C ZINC000639462503 356250895 /nfs/dbraw/zinc/25/08/95/356250895.db2.gz BXYMEKCKKNFCED-UHFFFAOYSA-N 1 2 223.291 2.625 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000639462503 356250899 /nfs/dbraw/zinc/25/08/99/356250899.db2.gz BXYMEKCKKNFCED-UHFFFAOYSA-N 1 2 223.291 2.625 20 0 BFADLO Cc1[nH]c(C(=O)NCC2C[C@H](C)C[C@@H](C)C2)c[nH+]1 ZINC000617666500 356266790 /nfs/dbraw/zinc/26/67/90/356266790.db2.gz MVKQMHOOFVHJTE-NXEZZACHSA-N 1 2 249.358 2.520 20 0 BFADLO CCC(F)(F)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000639474328 356267588 /nfs/dbraw/zinc/26/75/88/356267588.db2.gz ROZBRCYNCSHETJ-LBPRGKRZSA-N 1 2 243.297 2.697 20 0 BFADLO CCC(F)(F)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000639474328 356267589 /nfs/dbraw/zinc/26/75/89/356267589.db2.gz ROZBRCYNCSHETJ-LBPRGKRZSA-N 1 2 243.297 2.697 20 0 BFADLO CCOC1CC[NH+](CC(F)(F)CC)CC1 ZINC000639458235 356243726 /nfs/dbraw/zinc/24/37/26/356243726.db2.gz JUZDJEZSBDOPNW-UHFFFAOYSA-N 1 2 221.291 2.533 20 0 BFADLO Fc1cccc2c1OCCN(c1cccc[nH+]1)C2 ZINC000336138946 134096661 /nfs/dbraw/zinc/09/66/61/134096661.db2.gz YIBSYLYSTSVQGM-UHFFFAOYSA-N 1 2 244.269 2.620 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1CCO[C@H]1C)C(F)(F)F ZINC000639536495 356387434 /nfs/dbraw/zinc/38/74/34/356387434.db2.gz ZLQBAEFBHLRYRW-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CCC2)no1 ZINC000639545036 356406103 /nfs/dbraw/zinc/40/61/03/356406103.db2.gz NNMXMBLFSOWEAS-NWDGAFQWSA-N 1 2 245.326 2.630 20 0 BFADLO C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CCC2)no1 ZINC000639545036 356406109 /nfs/dbraw/zinc/40/61/09/356406109.db2.gz NNMXMBLFSOWEAS-NWDGAFQWSA-N 1 2 245.326 2.630 20 0 BFADLO Fc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000020562611 356489388 /nfs/dbraw/zinc/48/93/88/356489388.db2.gz WEXWQOUXQPIISF-UHFFFAOYSA-N 1 2 216.259 2.875 20 0 BFADLO CC[C@H](C)CNc1cc[nH+]c2ccncc12 ZINC000420649515 192255601 /nfs/dbraw/zinc/25/56/01/192255601.db2.gz GEYJLOJTDJWOJJ-JTQLQIEISA-N 1 2 215.300 2.510 20 0 BFADLO CC[C@@H](C)CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000420655110 192256154 /nfs/dbraw/zinc/25/61/54/192256154.db2.gz RDBVUPUQBBEQBU-SECBINFHSA-N 1 2 219.332 2.542 20 0 BFADLO C[C@@H]([N@H+](C)Cc1nn(C)cc1Cl)C1(C)CC1 ZINC000420916584 192272239 /nfs/dbraw/zinc/27/22/39/192272239.db2.gz OXZSGRCRSNDMGK-SECBINFHSA-N 1 2 241.766 2.694 20 0 BFADLO C[C@@H]([N@@H+](C)Cc1nn(C)cc1Cl)C1(C)CC1 ZINC000420916584 192272241 /nfs/dbraw/zinc/27/22/41/192272241.db2.gz OXZSGRCRSNDMGK-SECBINFHSA-N 1 2 241.766 2.694 20 0 BFADLO CCC(F)(F)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000639602878 356514250 /nfs/dbraw/zinc/51/42/50/356514250.db2.gz APHAZNHFUAKDIO-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@H]([N@H+](C)Cc1nn(C)cc1Cl)C1(C)CC1 ZINC000420916585 192271463 /nfs/dbraw/zinc/27/14/63/192271463.db2.gz OXZSGRCRSNDMGK-VIFPVBQESA-N 1 2 241.766 2.694 20 0 BFADLO C[C@H]([N@@H+](C)Cc1nn(C)cc1Cl)C1(C)CC1 ZINC000420916585 192271466 /nfs/dbraw/zinc/27/14/66/192271466.db2.gz OXZSGRCRSNDMGK-VIFPVBQESA-N 1 2 241.766 2.694 20 0 BFADLO CCN(c1cc(C)[nH+]cn1)[C@@H](C)c1cccnc1 ZINC000301309657 356523790 /nfs/dbraw/zinc/52/37/90/356523790.db2.gz XVMQUZBHFJPTNW-LBPRGKRZSA-N 1 2 242.326 2.768 20 0 BFADLO CC[N@H+](C[C@H]1C[C@@H](O)C1)c1cccc(C)c1C ZINC000420945231 192275448 /nfs/dbraw/zinc/27/54/48/192275448.db2.gz YUFNINAJHSRJPJ-OKILXGFUSA-N 1 2 233.355 2.901 20 0 BFADLO CC[N@@H+](C[C@H]1C[C@@H](O)C1)c1cccc(C)c1C ZINC000420945231 192275450 /nfs/dbraw/zinc/27/54/50/192275450.db2.gz YUFNINAJHSRJPJ-OKILXGFUSA-N 1 2 233.355 2.901 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639624079 356543792 /nfs/dbraw/zinc/54/37/92/356543792.db2.gz OFPHSFDQSOTIRR-JTQLQIEISA-N 1 2 247.342 2.735 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639624079 356543795 /nfs/dbraw/zinc/54/37/95/356543795.db2.gz OFPHSFDQSOTIRR-JTQLQIEISA-N 1 2 247.342 2.735 20 0 BFADLO CC1=C(C)C[N@H+](Cc2nc(C3CCC3)no2)CC1 ZINC000639619678 356536800 /nfs/dbraw/zinc/53/68/00/356536800.db2.gz GMLLKUCNAWXOLS-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CC1=C(C)C[N@@H+](Cc2nc(C3CCC3)no2)CC1 ZINC000639619678 356536804 /nfs/dbraw/zinc/53/68/04/356536804.db2.gz GMLLKUCNAWXOLS-UHFFFAOYSA-N 1 2 247.342 2.879 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000639625233 356538823 /nfs/dbraw/zinc/53/88/23/356538823.db2.gz RGBDEZUPKGQYAR-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000639625233 356538827 /nfs/dbraw/zinc/53/88/27/356538827.db2.gz RGBDEZUPKGQYAR-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CC[C@@H]1C[N@H+](CC(F)(F)CC)CCCO1 ZINC000639622525 356542499 /nfs/dbraw/zinc/54/24/99/356542499.db2.gz IRVCAMUDVXQMEF-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CC[C@@H]1C[N@@H+](CC(F)(F)CC)CCCO1 ZINC000639622525 356542502 /nfs/dbraw/zinc/54/25/02/356542502.db2.gz IRVCAMUDVXQMEF-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO Cc1cc[nH+]c(NCC2=CCOCC2)c1Cl ZINC000336194031 134124994 /nfs/dbraw/zinc/12/49/94/134124994.db2.gz MUXYBWCGSFSZBU-UHFFFAOYSA-N 1 2 238.718 2.802 20 0 BFADLO Cc1cc2[nH+]cn(CCC3(O)CC3)c2cc1C ZINC000336202210 134130897 /nfs/dbraw/zinc/13/08/97/134130897.db2.gz ZXXXRFQUDSFCRG-UHFFFAOYSA-N 1 2 230.311 2.568 20 0 BFADLO Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000336213446 134135733 /nfs/dbraw/zinc/13/57/33/134135733.db2.gz XBZNLQZPFUPBCL-AWEZNQCLSA-N 1 2 245.301 2.716 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@]1(C)CCC[C@H]1C ZINC000449890954 202050155 /nfs/dbraw/zinc/05/01/55/202050155.db2.gz IPGBJXPNDPYZRH-IAQYHMDHSA-N 1 2 246.354 2.831 20 0 BFADLO Cc1c(Cl)c(C[N@H+](C)CC(C)(C)C)nn1C ZINC000421319689 192316550 /nfs/dbraw/zinc/31/65/50/192316550.db2.gz NSDJOTVZLRTDAE-UHFFFAOYSA-N 1 2 243.782 2.860 20 0 BFADLO Cc1c(Cl)c(C[N@@H+](C)CC(C)(C)C)nn1C ZINC000421319689 192316552 /nfs/dbraw/zinc/31/65/52/192316552.db2.gz NSDJOTVZLRTDAE-UHFFFAOYSA-N 1 2 243.782 2.860 20 0 BFADLO CCC[C@H]1CCC[C@@H]1C(=O)NCc1[nH]c[nH+]c1C ZINC000450023442 202067729 /nfs/dbraw/zinc/06/77/29/202067729.db2.gz FGNKRQQZFKJAQG-RYUDHWBXSA-N 1 2 249.358 2.551 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000639667803 356574720 /nfs/dbraw/zinc/57/47/20/356574720.db2.gz WCETXNLCJALQMZ-ZDUSSCGKSA-N 1 2 239.265 2.691 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000639667803 356574723 /nfs/dbraw/zinc/57/47/23/356574723.db2.gz WCETXNLCJALQMZ-ZDUSSCGKSA-N 1 2 239.265 2.691 20 0 BFADLO CC1(C)CCC[C@@](O)(CNc2cccc[nH+]2)C1 ZINC000302487292 356618752 /nfs/dbraw/zinc/61/87/52/356618752.db2.gz IRSQFXSNNFSDTE-AWEZNQCLSA-N 1 2 234.343 2.825 20 0 BFADLO CCCC[N@H+](C)Cc1nnc(C2CC2)s1 ZINC000450216992 202099320 /nfs/dbraw/zinc/09/93/20/202099320.db2.gz RWVQHTQVKQYZTN-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO CCCC[N@@H+](C)Cc1nnc(C2CC2)s1 ZINC000450216992 202099323 /nfs/dbraw/zinc/09/93/23/202099323.db2.gz RWVQHTQVKQYZTN-UHFFFAOYSA-N 1 2 225.361 2.647 20 0 BFADLO CC(C)[N@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000450264990 202113490 /nfs/dbraw/zinc/11/34/90/202113490.db2.gz WBDUWBBWZVNFNU-UHFFFAOYSA-N 1 2 237.372 2.788 20 0 BFADLO CC(C)[N@@H+](Cc1nnc(C2CC2)s1)C1CC1 ZINC000450264990 202113494 /nfs/dbraw/zinc/11/34/94/202113494.db2.gz WBDUWBBWZVNFNU-UHFFFAOYSA-N 1 2 237.372 2.788 20 0 BFADLO C[C@H]([NH2+]Cc1cccs1)C(C)(F)F ZINC000389459124 356679913 /nfs/dbraw/zinc/67/99/13/356679913.db2.gz AXUPMNAJGNYGKO-ZETCQYMHSA-N 1 2 205.273 2.881 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389479545 356687765 /nfs/dbraw/zinc/68/77/65/356687765.db2.gz STKWISFRXCLEPY-SSDOTTSWSA-N 1 2 234.315 2.893 20 0 BFADLO CCc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000054115833 363561949 /nfs/dbraw/zinc/56/19/49/363561949.db2.gz FMRAWQXKUAXTKX-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000054115833 363561953 /nfs/dbraw/zinc/56/19/53/363561953.db2.gz FMRAWQXKUAXTKX-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CC(=O)[C@H](C)SCc1c[nH+]c2ccccn12 ZINC000179903745 366332184 /nfs/dbraw/zinc/33/21/84/366332184.db2.gz AWAQMZQOQHSNSL-JTQLQIEISA-N 1 2 234.324 2.545 20 0 BFADLO C[C@H](N[C@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(F)F ZINC000389494325 356694610 /nfs/dbraw/zinc/69/46/10/356694610.db2.gz WOLGTFQPAJTJIU-VGMNWLOBSA-N 1 2 229.274 2.522 20 0 BFADLO C[C@H]([NH2+]Cc1cccc2c1OCO2)C(C)(F)F ZINC000389461952 356681004 /nfs/dbraw/zinc/68/10/04/356681004.db2.gz GLCIRQAZVUMWFP-QMMMGPOBSA-N 1 2 243.253 2.549 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353192780 356707819 /nfs/dbraw/zinc/70/78/19/356707819.db2.gz LOXRYHZVCUJABB-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]1C(F)F ZINC000353192780 356707823 /nfs/dbraw/zinc/70/78/23/356707823.db2.gz LOXRYHZVCUJABB-WDEREUQCSA-N 1 2 235.318 2.513 20 0 BFADLO CCc1cccnc1[C@H](C)[NH2+]Cc1nccs1 ZINC000356874514 356808822 /nfs/dbraw/zinc/80/88/22/356808822.db2.gz QJBNYEXUNAGVSI-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO CC[C@@H](COCC(F)(F)F)Nc1cccc[nH+]1 ZINC000450586258 202205513 /nfs/dbraw/zinc/20/55/13/202205513.db2.gz HDGAJGIRAQPIMS-VIFPVBQESA-N 1 2 248.248 2.851 20 0 BFADLO C[N@H+](CCC1CC1)Cc1nnc(C2CC2)s1 ZINC000450604008 202208116 /nfs/dbraw/zinc/20/81/16/202208116.db2.gz VNHQTRVOHKEOAD-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1nnc(C2CC2)s1 ZINC000450604008 202208118 /nfs/dbraw/zinc/20/81/18/202208118.db2.gz VNHQTRVOHKEOAD-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccs2)o1 ZINC000041392592 357128875 /nfs/dbraw/zinc/12/88/75/357128875.db2.gz NAOSHAGZYPXELS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccs2)o1 ZINC000041392592 357128878 /nfs/dbraw/zinc/12/88/78/357128878.db2.gz NAOSHAGZYPXELS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CCc1nc(C(C)(C)[NH2+][C@@H]2C=CCCC2)no1 ZINC000582465211 357289020 /nfs/dbraw/zinc/28/90/20/357289020.db2.gz FUERBPJIDGGKMD-SNVBAGLBSA-N 1 2 235.331 2.565 20 0 BFADLO Cc1ccc(C[NH2+]CC(C)(F)F)s1 ZINC000378854633 357397498 /nfs/dbraw/zinc/39/74/98/357397498.db2.gz JBYGEBUWQIDLSJ-UHFFFAOYSA-N 1 2 205.273 2.801 20 0 BFADLO C[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)c1[nH]cc[nH+]1 ZINC000226628567 357405748 /nfs/dbraw/zinc/40/57/48/357405748.db2.gz ZFBWTYJWFVTEGE-MNOVXSKESA-N 1 2 249.358 2.803 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(F)ccc2C)o1 ZINC000584389964 357498599 /nfs/dbraw/zinc/49/85/99/357498599.db2.gz GHSDEHRAGBYVDQ-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H]2CC[C@@H](C)C2)[nH+]1 ZINC000582971153 357448111 /nfs/dbraw/zinc/44/81/11/357448111.db2.gz UGHBKMKGJWALCF-MWLCHTKSSA-N 1 2 249.358 2.506 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC[C@H](C)O1 ZINC000188591439 357540759 /nfs/dbraw/zinc/54/07/59/357540759.db2.gz NJUJKNGEVCZFKH-VHSXEESVSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC[C@H](C)O1 ZINC000188591439 357540762 /nfs/dbraw/zinc/54/07/62/357540762.db2.gz NJUJKNGEVCZFKH-VHSXEESVSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC[C@@H](C)O1 ZINC000188591419 357541571 /nfs/dbraw/zinc/54/15/71/357541571.db2.gz NJUJKNGEVCZFKH-NXEZZACHSA-N 1 2 221.291 2.529 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC[C@@H](C)O1 ZINC000188591419 357541573 /nfs/dbraw/zinc/54/15/73/357541573.db2.gz NJUJKNGEVCZFKH-NXEZZACHSA-N 1 2 221.291 2.529 20 0 BFADLO Cc1cc(N[C@H]2CCSC2)nc(C(C)C)[nH+]1 ZINC000230919766 357579583 /nfs/dbraw/zinc/57/95/83/357579583.db2.gz FSSKCFIWHVHCRV-JTQLQIEISA-N 1 2 237.372 2.826 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H](C)CC2)no1 ZINC000063302096 357620704 /nfs/dbraw/zinc/62/07/04/357620704.db2.gz FHHNGCOQIZRZMZ-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H](C)CC2)no1 ZINC000063302096 357620706 /nfs/dbraw/zinc/62/07/06/357620706.db2.gz FHHNGCOQIZRZMZ-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CC[C@@H](C)C[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000233839110 357756275 /nfs/dbraw/zinc/75/62/75/357756275.db2.gz QJHHMYLQWCZTAW-SFYZADRCSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@@H](C)C[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000233839110 357756281 /nfs/dbraw/zinc/75/62/81/357756281.db2.gz QJHHMYLQWCZTAW-SFYZADRCSA-N 1 2 242.754 2.949 20 0 BFADLO C[C@@H]1CCC[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235258537 357859522 /nfs/dbraw/zinc/85/95/22/357859522.db2.gz AYNBDGYCKHQCDZ-HTQZYQBOSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@@H]1CCC[C@@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235258537 357859524 /nfs/dbraw/zinc/85/95/24/357859524.db2.gz AYNBDGYCKHQCDZ-HTQZYQBOSA-N 1 2 240.738 2.560 20 0 BFADLO COc1cccc2c1cc[nH+]c2NC[C@H](C)OC ZINC000234755676 357827303 /nfs/dbraw/zinc/82/73/03/357827303.db2.gz WMXCYXOIOMPDSM-JTQLQIEISA-N 1 2 246.310 2.690 20 0 BFADLO COc1ncccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000193300961 357873488 /nfs/dbraw/zinc/87/34/88/357873488.db2.gz INMMLWFSJAUSCT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ncccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000193300961 357873490 /nfs/dbraw/zinc/87/34/90/357873490.db2.gz INMMLWFSJAUSCT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ncccc1C[N@H+](C)Cc1ccoc1C ZINC000193316826 357875228 /nfs/dbraw/zinc/87/52/28/357875228.db2.gz PLDNFVGVENWECT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ncccc1C[N@@H+](C)Cc1ccoc1C ZINC000193316826 357875231 /nfs/dbraw/zinc/87/52/31/357875231.db2.gz PLDNFVGVENWECT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ncccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000193320316 357875961 /nfs/dbraw/zinc/87/59/61/357875961.db2.gz WKEUTGVLPPFNIO-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO COc1ncccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000193320316 357875966 /nfs/dbraw/zinc/87/59/66/357875966.db2.gz WKEUTGVLPPFNIO-LLVKDONJSA-N 1 2 246.310 2.876 20 0 BFADLO C[C@H]1CCC[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000235562408 357880179 /nfs/dbraw/zinc/88/01/79/357880179.db2.gz AYNBDGYCKHQCDZ-YUMQZZPRSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@H]1CCC[C@H]1CNc1[nH+]cnc(N)c1Cl ZINC000235562408 357880183 /nfs/dbraw/zinc/88/01/83/357880183.db2.gz AYNBDGYCKHQCDZ-YUMQZZPRSA-N 1 2 240.738 2.560 20 0 BFADLO C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccon1 ZINC000584505342 358005188 /nfs/dbraw/zinc/00/51/88/358005188.db2.gz HQQFORFDCGFCDX-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1cn[nH]c1C ZINC000639970831 358023995 /nfs/dbraw/zinc/02/39/95/358023995.db2.gz LKIWYNKMVUKPMF-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1cn[nH]c1C ZINC000639970831 358023997 /nfs/dbraw/zinc/02/39/97/358023997.db2.gz LKIWYNKMVUKPMF-UHFFFAOYSA-N 1 2 243.354 2.913 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1cnc(C)o1)C2 ZINC000628463246 358118885 /nfs/dbraw/zinc/11/88/85/358118885.db2.gz XVSDGSDYEXQUAP-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1cnc(C)o1)C2 ZINC000628463246 358118888 /nfs/dbraw/zinc/11/88/88/358118888.db2.gz XVSDGSDYEXQUAP-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@H](C)c2ccoc2)n1 ZINC000584747752 358168651 /nfs/dbraw/zinc/16/86/51/358168651.db2.gz WOTJHWKRQPTRIM-LLVKDONJSA-N 1 2 233.315 2.908 20 0 BFADLO COC(=O)C1([NH2+]CC2=CCCCC2)CCCC1 ZINC000450621381 202214155 /nfs/dbraw/zinc/21/41/55/202214155.db2.gz IJXWWBCLZDVKDA-UHFFFAOYSA-N 1 2 237.343 2.562 20 0 BFADLO CCC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000076797019 491125545 /nfs/dbraw/zinc/12/55/45/491125545.db2.gz DPXDFAQXDXTVEZ-UHFFFAOYSA-N 1 2 243.301 2.900 20 0 BFADLO CCC1(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000450639096 202221229 /nfs/dbraw/zinc/22/12/29/202221229.db2.gz DCXJMGVDGGEARW-UHFFFAOYSA-N 1 2 205.305 2.955 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1CC)c1[nH]cc[nH+]1 ZINC000450672764 202231727 /nfs/dbraw/zinc/23/17/27/202231727.db2.gz LOGNCROCQPELMX-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO O[C@@H]1CCC[C@@H]1[C@@H]1CCCCN1c1cccc[nH+]1 ZINC000450685614 202235319 /nfs/dbraw/zinc/23/53/19/202235319.db2.gz STWKKGXHWGLVPA-HZSPNIEDSA-N 1 2 246.354 2.602 20 0 BFADLO FC1(F)CC[N@H+](CC2=CCCCC2)C1 ZINC000450699568 202235942 /nfs/dbraw/zinc/23/59/42/202235942.db2.gz YHFVNRJWBMCSRH-UHFFFAOYSA-N 1 2 201.260 2.828 20 0 BFADLO FC1(F)CC[N@@H+](CC2=CCCCC2)C1 ZINC000450699568 202235947 /nfs/dbraw/zinc/23/59/47/202235947.db2.gz YHFVNRJWBMCSRH-UHFFFAOYSA-N 1 2 201.260 2.828 20 0 BFADLO CC/C=C\CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000450697363 202236169 /nfs/dbraw/zinc/23/61/69/202236169.db2.gz UXDNXRVLRWCHIN-HYXAFXHYSA-N 1 2 246.358 2.845 20 0 BFADLO CC/C=C\CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000450697363 202236172 /nfs/dbraw/zinc/23/61/72/202236172.db2.gz UXDNXRVLRWCHIN-HYXAFXHYSA-N 1 2 246.358 2.845 20 0 BFADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc2c(c1)CCC2 ZINC000041014784 358241236 /nfs/dbraw/zinc/24/12/36/358241236.db2.gz OKYSPRXHKXKEDP-LLVKDONJSA-N 1 2 241.338 2.749 20 0 BFADLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C2CC2)n1 ZINC000041064575 358242024 /nfs/dbraw/zinc/24/20/24/358242024.db2.gz GEWPCRBGTZGOJK-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO c1[nH+]c(SCC[C@@H]2CCOC2)n2ccccc12 ZINC000450713726 202242325 /nfs/dbraw/zinc/24/23/25/202242325.db2.gz XJQGTHTYHHDEBU-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C[C@@H]2C[C@@H]2C)n1 ZINC000351228548 366455722 /nfs/dbraw/zinc/45/57/22/366455722.db2.gz GXQDVXPTFOCFLZ-CABZTGNLSA-N 1 2 243.310 2.562 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)s1 ZINC000135010085 325388306 /nfs/dbraw/zinc/38/83/06/325388306.db2.gz QDXNHSDGCCNRPE-JGVFFNPUSA-N 1 2 237.328 2.851 20 0 BFADLO CSc1ccc(C[NH2+]Cc2cc(C)on2)cc1 ZINC000044412122 358548588 /nfs/dbraw/zinc/54/85/88/358548588.db2.gz ZPGDWCHNJKDUDZ-UHFFFAOYSA-N 1 2 248.351 2.995 20 0 BFADLO COC[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000044477437 358549866 /nfs/dbraw/zinc/54/98/66/358549866.db2.gz MHIGJOGACHGYIJ-SNVBAGLBSA-N 1 2 237.347 2.603 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)CC(C)C ZINC000046064171 358569741 /nfs/dbraw/zinc/56/97/41/358569741.db2.gz MONNXWXSIAXSFL-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)CC(C)C ZINC000046064171 358569744 /nfs/dbraw/zinc/56/97/44/358569744.db2.gz MONNXWXSIAXSFL-UHFFFAOYSA-N 1 2 239.363 2.845 20 0 BFADLO CC(C)C[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000131797640 358692556 /nfs/dbraw/zinc/69/25/56/358692556.db2.gz SJEISQKICPNGEX-NSHDSACASA-N 1 2 239.388 2.796 20 0 BFADLO CC(C)C[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000131797640 358692560 /nfs/dbraw/zinc/69/25/60/358692560.db2.gz SJEISQKICPNGEX-NSHDSACASA-N 1 2 239.388 2.796 20 0 BFADLO CC[N@H+](CC(=O)OC)Cc1ccc(C(C)C)cc1 ZINC000049947757 358707039 /nfs/dbraw/zinc/70/70/39/358707039.db2.gz GDRQSIRFGWNHQZ-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CC[N@@H+](CC(=O)OC)Cc1ccc(C(C)C)cc1 ZINC000049947757 358707041 /nfs/dbraw/zinc/70/70/41/358707041.db2.gz GDRQSIRFGWNHQZ-UHFFFAOYSA-N 1 2 249.354 2.805 20 0 BFADLO CC(=O)c1ccc(OCc2c[nH+]cn2C)c(C)c1 ZINC000134956357 358812565 /nfs/dbraw/zinc/81/25/65/358812565.db2.gz DWEOXCSMCLWOBB-UHFFFAOYSA-N 1 2 244.294 2.510 20 0 BFADLO COc1cc(C)[nH+]c(COc2ccccc2)c1 ZINC000214340151 358778265 /nfs/dbraw/zinc/77/82/65/358778265.db2.gz VTQRVCPOTVUUPE-UHFFFAOYSA-N 1 2 229.279 2.978 20 0 BFADLO Cc1ccc(N[C@@H](C)C2CCOCC2)c[nH+]1 ZINC000134314639 358786538 /nfs/dbraw/zinc/78/65/38/358786538.db2.gz AIKLKADTJMIMCN-NSHDSACASA-N 1 2 220.316 2.617 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)C2CCOCC2)c1 ZINC000134341865 358787600 /nfs/dbraw/zinc/78/76/00/358787600.db2.gz FVGIRWPLJVZRCD-NSHDSACASA-N 1 2 220.316 2.617 20 0 BFADLO Cc1cc(NC[C@@H]2C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000136088918 358862061 /nfs/dbraw/zinc/86/20/61/358862061.db2.gz ZSBAPWOJVMTQNT-KOLCDFICSA-N 1 2 219.332 2.976 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccn1)c1ccccc1Cl ZINC000054459545 358863075 /nfs/dbraw/zinc/86/30/75/358863075.db2.gz UIVURYJZCBAQMX-SNVBAGLBSA-N 1 2 247.729 2.981 20 0 BFADLO Cc1ccccc1[C@H](C)[NH2+]Cc1ncccn1 ZINC000054459555 358863184 /nfs/dbraw/zinc/86/31/84/358863184.db2.gz CMOIDDTVVJOKNU-LBPRGKRZSA-N 1 2 227.311 2.636 20 0 BFADLO CCCc1nc(C[N@H+]([C@@H](C)C2CC2)C2CC2)no1 ZINC000054989155 358879321 /nfs/dbraw/zinc/87/93/21/358879321.db2.gz OPAFXGOAVSVGHS-JTQLQIEISA-N 1 2 249.358 2.785 20 0 BFADLO CCCc1nc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)no1 ZINC000054989155 358879326 /nfs/dbraw/zinc/87/93/26/358879326.db2.gz OPAFXGOAVSVGHS-JTQLQIEISA-N 1 2 249.358 2.785 20 0 BFADLO CCCc1nc(C[N@H+]([C@H](C)C2CC2)C2CC2)no1 ZINC000054989157 358879411 /nfs/dbraw/zinc/87/94/11/358879411.db2.gz OPAFXGOAVSVGHS-SNVBAGLBSA-N 1 2 249.358 2.785 20 0 BFADLO CCCc1nc(C[N@@H+]([C@H](C)C2CC2)C2CC2)no1 ZINC000054989157 358879418 /nfs/dbraw/zinc/87/94/18/358879418.db2.gz OPAFXGOAVSVGHS-SNVBAGLBSA-N 1 2 249.358 2.785 20 0 BFADLO C[C@H](CCCO)Nc1cc2ccccc2c[nH+]1 ZINC000631159103 358939471 /nfs/dbraw/zinc/93/94/71/358939471.db2.gz AFDHFKFWIQTBNK-LLVKDONJSA-N 1 2 230.311 2.808 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccncc1Cl ZINC000073848349 359107074 /nfs/dbraw/zinc/10/70/74/359107074.db2.gz WOLDRPMCAJXBJJ-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1nccs1 ZINC000070733998 359063084 /nfs/dbraw/zinc/06/30/84/359063084.db2.gz KGHXIYMHQCEXLH-VIFPVBQESA-N 1 2 234.328 2.805 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000070761096 359063186 /nfs/dbraw/zinc/06/31/86/359063186.db2.gz JHBWILQFPCZHIO-GHMZBOCLSA-N 1 2 219.332 2.748 20 0 BFADLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)C1CCC1 ZINC000074829820 359130351 /nfs/dbraw/zinc/13/03/51/359130351.db2.gz XZEJHBAAFNJWCG-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO CCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000074829942 359130781 /nfs/dbraw/zinc/13/07/81/359130781.db2.gz MSBLPUCISNQDOK-UHFFFAOYSA-N 1 2 229.283 2.815 20 0 BFADLO Cc1ccc(NC(=O)C2CC3(CC3)C2)c(C)[nH+]1 ZINC000612227048 359740471 /nfs/dbraw/zinc/74/04/71/359740471.db2.gz PNUXCQXVFHAEBW-UHFFFAOYSA-N 1 2 230.311 2.827 20 0 BFADLO Cc1cc(C[NH2+]Cc2cscc2Cl)no1 ZINC000309087772 491144340 /nfs/dbraw/zinc/14/43/40/491144340.db2.gz BBJQTGYTMJNGLC-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO FC1=CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000306412757 359822200 /nfs/dbraw/zinc/82/22/00/359822200.db2.gz MHLPDCUWCIRMPX-SSDOTTSWSA-N 1 2 224.106 2.739 20 0 BFADLO FC1=CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000306412757 359822202 /nfs/dbraw/zinc/82/22/02/359822202.db2.gz MHLPDCUWCIRMPX-SSDOTTSWSA-N 1 2 224.106 2.739 20 0 BFADLO Cc1cc(N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)nc[nH+]1 ZINC000450930970 202312599 /nfs/dbraw/zinc/31/25/99/202312599.db2.gz LAQAJMKIYRIFKH-UKTARXLSSA-N 1 2 243.354 2.657 20 0 BFADLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@](C)(F)C1 ZINC000451115263 202354816 /nfs/dbraw/zinc/35/48/16/202354816.db2.gz NUHPEJUUPCMRKE-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@](C)(F)C1 ZINC000451115263 202354818 /nfs/dbraw/zinc/35/48/18/202354818.db2.gz NUHPEJUUPCMRKE-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO COc1ccc(Cl)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451195406 202376553 /nfs/dbraw/zinc/37/65/53/202376553.db2.gz LNFGMYREJOMASJ-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1ccc(Cl)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000451195406 202376556 /nfs/dbraw/zinc/37/65/56/202376556.db2.gz LNFGMYREJOMASJ-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000451197837 202378380 /nfs/dbraw/zinc/37/83/80/202378380.db2.gz OKZDLHBMVDIOGS-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000451197837 202378384 /nfs/dbraw/zinc/37/83/84/202378384.db2.gz OKZDLHBMVDIOGS-SNVBAGLBSA-N 1 2 243.709 2.892 20 0 BFADLO CC[N@H+](Cc1c(C)cccc1Cl)C1COC1 ZINC000451289083 202397226 /nfs/dbraw/zinc/39/72/26/202397226.db2.gz IWZZRPULIDVFEH-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CC[N@@H+](Cc1c(C)cccc1Cl)C1COC1 ZINC000451289083 202397227 /nfs/dbraw/zinc/39/72/27/202397227.db2.gz IWZZRPULIDVFEH-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1N(C)C ZINC000090171376 360061447 /nfs/dbraw/zinc/06/14/47/360061447.db2.gz HQVXYAIBZDSPSN-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO Fc1ccc(CSCCn2cc[nH+]c2)cc1 ZINC000090199241 360063642 /nfs/dbraw/zinc/06/36/42/360063642.db2.gz KIEZNEAVIGNPLZ-UHFFFAOYSA-N 1 2 236.315 2.956 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1ccccc1CO ZINC000090208368 360065116 /nfs/dbraw/zinc/06/51/16/360065116.db2.gz NYVNZGLZBYNIDE-UHFFFAOYSA-N 1 2 245.326 2.568 20 0 BFADLO Cc1ccccc1CCNc1cc[nH+]c(C)n1 ZINC000090785758 360086543 /nfs/dbraw/zinc/08/65/43/360086543.db2.gz MPBACNFDGYSOPN-UHFFFAOYSA-N 1 2 227.311 2.748 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cncs1 ZINC000092478174 360174093 /nfs/dbraw/zinc/17/40/93/360174093.db2.gz IHIMAPRKWZYGGZ-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cncs1 ZINC000092478174 360174096 /nfs/dbraw/zinc/17/40/96/360174096.db2.gz IHIMAPRKWZYGGZ-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCOCC23CCC3)c1 ZINC000093509825 360254856 /nfs/dbraw/zinc/25/48/56/360254856.db2.gz LVUVMHVVZXZRPN-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCOCC23CCC3)c1 ZINC000093509825 360254862 /nfs/dbraw/zinc/25/48/62/360254862.db2.gz LVUVMHVVZXZRPN-UHFFFAOYSA-N 1 2 249.329 2.889 20 0 BFADLO Cc1nc(NC(C)C)c(Br)c(C)[nH+]1 ZINC000306491893 360210083 /nfs/dbraw/zinc/21/00/83/360210083.db2.gz OZSDXOHBCQVERZ-UHFFFAOYSA-N 1 2 244.136 2.676 20 0 BFADLO CCOC(=O)C(C)(C)[N@H+](C)Cc1cccs1 ZINC000093359449 360237139 /nfs/dbraw/zinc/23/71/39/360237139.db2.gz ZDUNFHFWOBEJGM-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1cccs1 ZINC000093359449 360237143 /nfs/dbraw/zinc/23/71/43/360237143.db2.gz ZDUNFHFWOBEJGM-UHFFFAOYSA-N 1 2 241.356 2.522 20 0 BFADLO Cc1ccc(CS[C@@H](C)CCO)c(C)[nH+]1 ZINC000614083641 363718774 /nfs/dbraw/zinc/71/87/74/363718774.db2.gz YBFZUQCPEVGFKO-JTQLQIEISA-N 1 2 225.357 2.703 20 0 BFADLO CCC[NH+](CCC)Cc1noc(C2CC2)n1 ZINC000097079025 360360920 /nfs/dbraw/zinc/36/09/20/360360920.db2.gz DROHHKRHBFVOEM-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO COc1cncc(CNc2ccc[nH+]c2C)c1C ZINC000631099121 360392403 /nfs/dbraw/zinc/39/24/03/360392403.db2.gz VFILZIOZSLCSAO-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO c1ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)[nH+]c1 ZINC000631523701 360560591 /nfs/dbraw/zinc/56/05/91/360560591.db2.gz OBXZHNQOCHAWDN-OCCSQVGLSA-N 1 2 232.327 2.841 20 0 BFADLO CN(C)c1ccc(NCC2(C)CCC2)[nH+]c1 ZINC000309502820 491150487 /nfs/dbraw/zinc/15/04/87/491150487.db2.gz BHNJIXMYZCMWNG-UHFFFAOYSA-N 1 2 219.332 2.750 20 0 BFADLO Cc1cc(C)cc(CNc2c[nH]c[nH+]2)c1 ZINC000380360476 360632459 /nfs/dbraw/zinc/63/24/59/360632459.db2.gz YHWVWHJOLKDCHB-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1cc(N)nc(S[C@H]2CCCC[C@H]2C)[nH+]1 ZINC000629103335 360878823 /nfs/dbraw/zinc/87/88/23/360878823.db2.gz DOGCRIUSNSWAJC-SCZZXKLOSA-N 1 2 237.372 2.868 20 0 BFADLO Cc1cc(N)nc(S[C@@H]2CCCC[C@H]2C)[nH+]1 ZINC000629103333 360878909 /nfs/dbraw/zinc/87/89/09/360878909.db2.gz DOGCRIUSNSWAJC-PSASIEDQSA-N 1 2 237.372 2.868 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)o1 ZINC000428354291 201010492 /nfs/dbraw/zinc/01/04/92/201010492.db2.gz YGKQSLHSHZYESD-JTQLQIEISA-N 1 2 248.330 2.680 20 0 BFADLO CC(C)c1nc(N[C@H]2CC23CCCC3)cc[nH+]1 ZINC000428696696 201037147 /nfs/dbraw/zinc/03/71/47/201037147.db2.gz ZLBSRCJPHYXIJX-NSHDSACASA-N 1 2 231.343 2.767 20 0 BFADLO C[C@@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000309803735 491156804 /nfs/dbraw/zinc/15/68/04/491156804.db2.gz RQUWXEVRGSZYKI-SECBINFHSA-N 1 2 220.247 2.665 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cnccn1 ZINC000309824998 491157316 /nfs/dbraw/zinc/15/73/16/491157316.db2.gz XEWIONWSXMKMGG-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO CC(C)([NH2+]Cc1ncccn1)c1ccccc1F ZINC000429233045 201080089 /nfs/dbraw/zinc/08/00/89/201080089.db2.gz CTTNQETWTSGRBS-UHFFFAOYSA-N 1 2 245.301 2.641 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+](C)Cc2occc2C)o1 ZINC000429385179 201105981 /nfs/dbraw/zinc/10/59/81/201105981.db2.gz HGPQAVJGKOZVJM-SNVBAGLBSA-N 1 2 249.314 2.726 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2occc2C)o1 ZINC000429385179 201105983 /nfs/dbraw/zinc/10/59/83/201105983.db2.gz HGPQAVJGKOZVJM-SNVBAGLBSA-N 1 2 249.314 2.726 20 0 BFADLO Cc1cc(Cl)ccc1C[NH2+]Cc1cocn1 ZINC000309884007 491157573 /nfs/dbraw/zinc/15/75/73/491157573.db2.gz XEQJYLUUGHHVMU-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1ccc(C)c(C[N@@H+](C)Cc2ncccn2)c1 ZINC000429297738 201094123 /nfs/dbraw/zinc/09/41/23/201094123.db2.gz ULHDTYBXLBWYQG-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccc(C)c(C[N@H+](C)Cc2ncccn2)c1 ZINC000429297738 201094126 /nfs/dbraw/zinc/09/41/26/201094126.db2.gz ULHDTYBXLBWYQG-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO COc1ccc(N[C@H](C)[C@@H]2CC2(C)C)[nH+]c1 ZINC000309871070 491157806 /nfs/dbraw/zinc/15/78/06/491157806.db2.gz QPRRWVXWPKEQDR-KOLCDFICSA-N 1 2 220.316 2.937 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(-n3ccnn3)cc2)[C@H]1C ZINC000430230251 201156480 /nfs/dbraw/zinc/15/64/80/201156480.db2.gz VPOVFRCLQNHJHF-SUNKGSAMSA-N 1 2 242.326 2.724 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(-n3ccnn3)cc2)[C@H]1C ZINC000430230252 201156894 /nfs/dbraw/zinc/15/68/94/201156894.db2.gz VPOVFRCLQNHJHF-UHIISALHSA-N 1 2 242.326 2.724 20 0 BFADLO CC(C)=CC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433294998 201176774 /nfs/dbraw/zinc/17/67/74/201176774.db2.gz BTXCZLCFSUWFCS-ZDUSSCGKSA-N 1 2 235.331 2.559 20 0 BFADLO C[NH2+]c1ccc(NCC[C@@H]2CCOC2)cc1 ZINC000629655393 361560712 /nfs/dbraw/zinc/56/07/12/361560712.db2.gz KHWZMVJHZPEHPZ-LLVKDONJSA-N 1 2 220.316 2.567 20 0 BFADLO C[NH2+]c1ccc(NC[C@@H]2CCSC2)cc1 ZINC000629657186 361561702 /nfs/dbraw/zinc/56/17/02/361561702.db2.gz UKXGRMYJVZXOIH-JTQLQIEISA-N 1 2 222.357 2.893 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)CC(C)(C)C)[nH+]1 ZINC000433766233 201190952 /nfs/dbraw/zinc/19/09/52/201190952.db2.gz MISUMWFBJOWWGL-UHFFFAOYSA-N 1 2 232.331 2.749 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)CC2CCCC2)[nH+]1 ZINC000433765362 201191954 /nfs/dbraw/zinc/19/19/54/201191954.db2.gz HLSSYTHWDIYXRY-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO Cc1nc2[nH]ccc2c(NCCC(C)(C)C)[nH+]1 ZINC000433765759 201192078 /nfs/dbraw/zinc/19/20/78/201192078.db2.gz JOQXTBPBTUTKLX-UHFFFAOYSA-N 1 2 232.331 2.536 20 0 BFADLO CCCN(CC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433777317 201193034 /nfs/dbraw/zinc/19/30/34/201193034.db2.gz KHDOGDIEKZKZKC-UHFFFAOYSA-N 1 2 218.304 2.503 20 0 BFADLO c1cc(NC2CCC3(CC3)CC2)nc(C2CC2)[nH+]1 ZINC000433813270 201195944 /nfs/dbraw/zinc/19/59/44/201195944.db2.gz PJSQESHIUWTUMA-UHFFFAOYSA-N 1 2 243.354 2.911 20 0 BFADLO CC[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C(F)(F)F ZINC000309987350 491159432 /nfs/dbraw/zinc/15/94/32/491159432.db2.gz YXHRKMUXUNJOOI-GUBZILKMSA-N 1 2 239.281 2.875 20 0 BFADLO Cc1[nH]cc(-c2ccc(O[C@H]3CCOC3)cc2)[nH+]1 ZINC000629698464 361634322 /nfs/dbraw/zinc/63/43/22/361634322.db2.gz WQOVQLSFGJYWMQ-ZDUSSCGKSA-N 1 2 244.294 2.553 20 0 BFADLO C[C@@H](CO)Nc1ccc(-c2ccsc2)c[nH+]1 ZINC000629691073 361617209 /nfs/dbraw/zinc/61/72/09/361617209.db2.gz ROENWALRTBODMI-VIFPVBQESA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cc(-c2cccc3c2CCC3)c[nH+]c1N ZINC000629734216 361673206 /nfs/dbraw/zinc/67/32/06/361673206.db2.gz KUBREYROMSBQKX-UHFFFAOYSA-N 1 2 224.307 2.958 20 0 BFADLO COCCN(C)c1ccc(-c2cocc2C)c[nH+]1 ZINC000629739260 361676340 /nfs/dbraw/zinc/67/63/40/361676340.db2.gz ZFFTUQGRJJHECN-UHFFFAOYSA-N 1 2 246.310 2.733 20 0 BFADLO Cc1nc(N[C@H](C)CC2CCCCC2)cc[nH+]1 ZINC000436685650 201334041 /nfs/dbraw/zinc/33/40/41/201334041.db2.gz CAKYBOFMZFPNTO-LLVKDONJSA-N 1 2 233.359 2.978 20 0 BFADLO C[C@@H](C[NH+]1CC(F)C1)c1ccc(F)cc1 ZINC000437797101 201374737 /nfs/dbraw/zinc/37/47/37/201374737.db2.gz IAUKGGYNTBDDTC-VIFPVBQESA-N 1 2 211.255 2.583 20 0 BFADLO COC(=O)C(C)(C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000037085326 363860261 /nfs/dbraw/zinc/86/02/61/363860261.db2.gz RNHQFDAYGNLJFF-UHFFFAOYSA-N 1 2 249.354 2.851 20 0 BFADLO CC[C@H]1CCCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000080956336 363961293 /nfs/dbraw/zinc/96/12/93/363961293.db2.gz BMCMJQQLXMPFJW-NSHDSACASA-N 1 2 244.342 2.893 20 0 BFADLO CCn1cc[nH+]c1CN(C)c1cccc(C)c1 ZINC000170727536 364070958 /nfs/dbraw/zinc/07/09/58/364070958.db2.gz GVCZFYQGOVQCQF-UHFFFAOYSA-N 1 2 229.327 2.848 20 0 BFADLO CCCCc1cc(N[C@H](C)[C@H]2CCOC2)nc[nH+]1 ZINC000631130898 364532291 /nfs/dbraw/zinc/53/22/91/364532291.db2.gz PUQDGQOHIFSXGC-NEPJUHHUSA-N 1 2 249.358 2.656 20 0 BFADLO C[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000566472587 364716575 /nfs/dbraw/zinc/71/65/75/364716575.db2.gz OSUBEBDHFASPTF-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)c(F)c1 ZINC000573532900 364854837 /nfs/dbraw/zinc/85/48/37/364854837.db2.gz YSGPDXWWTNNTON-UPHRSURJSA-N 1 2 235.237 2.813 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccoc2)on1 ZINC000168176270 364872482 /nfs/dbraw/zinc/87/24/82/364872482.db2.gz IBJHAYNOCPMNIZ-VIFPVBQESA-N 1 2 220.272 2.681 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000573615882 364875301 /nfs/dbraw/zinc/87/53/01/364875301.db2.gz DHAXTYIGTAHHMU-HZMBPMFUSA-N 1 2 249.358 2.506 20 0 BFADLO CCC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC000574210323 365010522 /nfs/dbraw/zinc/01/05/22/365010522.db2.gz IEMYYZDTOHZPSJ-LBPRGKRZSA-N 1 2 249.358 2.673 20 0 BFADLO Cc1[nH]c(CNc2ccccc2F)[nH+]c1C ZINC000574220921 365014700 /nfs/dbraw/zinc/01/47/00/365014700.db2.gz SEOBVEKKRIOMPK-UHFFFAOYSA-N 1 2 219.263 2.778 20 0 BFADLO COc1ccc[nH+]c1NCc1cccc(F)c1 ZINC000169027782 365059506 /nfs/dbraw/zinc/05/95/06/365059506.db2.gz SNJYGCIEERLBQL-UHFFFAOYSA-N 1 2 232.258 2.841 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CC[C@H](C)CC2)c(C)c[nH+]1 ZINC000574523590 365081944 /nfs/dbraw/zinc/08/19/44/365081944.db2.gz RKCWTKYAPKMBCJ-MJHDQNEOSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1nnsc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000574759431 365137674 /nfs/dbraw/zinc/13/76/74/365137674.db2.gz HUMTZTIXQADZRP-GFCCVEGCSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1nnsc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000574759431 365137681 /nfs/dbraw/zinc/13/76/81/365137681.db2.gz HUMTZTIXQADZRP-GFCCVEGCSA-N 1 2 245.351 2.794 20 0 BFADLO Cc1ccc(CSCCC2(O)CC2)c(C)[nH+]1 ZINC000443126971 193013970 /nfs/dbraw/zinc/01/39/70/193013970.db2.gz AXGBECRKADZUDD-UHFFFAOYSA-N 1 2 237.368 2.847 20 0 BFADLO C[C@H]1CCCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443412693 193020487 /nfs/dbraw/zinc/02/04/87/193020487.db2.gz JVLVJDIYKXGBMC-JTQLQIEISA-N 1 2 247.317 2.949 20 0 BFADLO CO[C@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000443491880 193022362 /nfs/dbraw/zinc/02/23/62/193022362.db2.gz SCBFVHNXQZCLSQ-SECBINFHSA-N 1 2 234.274 2.821 20 0 BFADLO C[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)[C@H]1C ZINC000443511726 193023148 /nfs/dbraw/zinc/02/31/48/193023148.db2.gz QXTOVVJQUYERFB-ZJUUUORDSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@H]1CCN(c2[nH+]c3cccc(F)c3n2C)[C@H]1C ZINC000443511722 193023497 /nfs/dbraw/zinc/02/34/97/193023497.db2.gz QXTOVVJQUYERFB-UWVGGRQHSA-N 1 2 247.317 2.947 20 0 BFADLO CCCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC000575128053 365213016 /nfs/dbraw/zinc/21/30/16/365213016.db2.gz YYKWFJHBCCVWHV-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO CC[C@](C)([NH2+]CC[C@@H]1CCOC1)C(F)(F)F ZINC000576194301 365517167 /nfs/dbraw/zinc/51/71/67/365517167.db2.gz OVNGMXKFFHCEKF-ZJUUUORDSA-N 1 2 239.281 2.734 20 0 BFADLO C[C@@H]1CCCC[C@H]1C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579603258 366902297 /nfs/dbraw/zinc/90/22/97/366902297.db2.gz NETCAFDMCWKHMZ-GHMZBOCLSA-N 1 2 249.358 2.587 20 0 BFADLO CCN(CC(F)F)c1cc(C)[nH+]c(C2CC2)n1 ZINC000182587860 366919408 /nfs/dbraw/zinc/91/94/08/366919408.db2.gz FHOBJZZQTXIJHC-UHFFFAOYSA-N 1 2 241.285 2.754 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCCOCC2)cc[nH+]1 ZINC000183000177 366964817 /nfs/dbraw/zinc/96/48/17/366964817.db2.gz QLAVHXQGBYHJJG-LLVKDONJSA-N 1 2 235.331 2.581 20 0 BFADLO CCOCC[N@H+](C)Cc1ncc(C(C)C)s1 ZINC000183166289 366982358 /nfs/dbraw/zinc/98/23/58/366982358.db2.gz VJSWBEUUKJZRHE-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO CCOCC[N@@H+](C)Cc1ncc(C(C)C)s1 ZINC000183166289 366982364 /nfs/dbraw/zinc/98/23/64/366982364.db2.gz VJSWBEUUKJZRHE-UHFFFAOYSA-N 1 2 242.388 2.735 20 0 BFADLO CC(C)(NC(=O)[C@@H]1CCCC1(C)C)c1[nH]cc[nH+]1 ZINC000579847806 367046374 /nfs/dbraw/zinc/04/63/74/367046374.db2.gz GGAWTEYFIWSSRX-JTQLQIEISA-N 1 2 249.358 2.587 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1cnoc1C ZINC000185164873 367122512 /nfs/dbraw/zinc/12/25/12/367122512.db2.gz LAWMVYMTVYIOCJ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1cnoc1C ZINC000185164873 367122518 /nfs/dbraw/zinc/12/25/18/367122518.db2.gz LAWMVYMTVYIOCJ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccnc2ccccc12 ZINC000580847510 367187243 /nfs/dbraw/zinc/18/72/43/367187243.db2.gz YUFNBSMDLNTLME-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO Cc1cc(N[C@@H]2C[C@H]2C)nc(-c2ccncc2)[nH+]1 ZINC000068909514 370859018 /nfs/dbraw/zinc/85/90/18/370859018.db2.gz YNKXWGJLEILPEY-BXKDBHETSA-N 1 2 240.310 2.667 20 0 BFADLO C[C@H](N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1cscn1 ZINC000580903700 367204090 /nfs/dbraw/zinc/20/40/90/367204090.db2.gz WNVJUNXKNNYXNP-LPEHRKFASA-N 1 2 248.355 2.696 20 0 BFADLO Cc1cncc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000381316116 367380012 /nfs/dbraw/zinc/38/00/12/367380012.db2.gz SLZWCSDFQGJERY-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H](CNc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000381348659 367385594 /nfs/dbraw/zinc/38/55/94/367385594.db2.gz ZUARNUPYOFWXBM-LLVKDONJSA-N 1 2 215.300 2.700 20 0 BFADLO COc1ccc[nH+]c1NCc1occc1C ZINC000381558585 367429747 /nfs/dbraw/zinc/42/97/47/367429747.db2.gz POLPALUBNYCUFF-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CCn1cc[nH+]c1CNc1ccc2c(c1)COC2 ZINC000385453545 367829537 /nfs/dbraw/zinc/82/95/37/367829537.db2.gz BAWAIDQOEOCIOV-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO CCc1ncc(C[N@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000013568413 367932067 /nfs/dbraw/zinc/93/20/67/367932067.db2.gz KNJLLNARQDDGAJ-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO CCc1ncc(C[N@@H+](C)[C@@H](C)c2ccco2)cn1 ZINC000013568413 367932069 /nfs/dbraw/zinc/93/20/69/367932069.db2.gz KNJLLNARQDDGAJ-NSHDSACASA-N 1 2 245.326 2.825 20 0 BFADLO C[C@@H]1CCCC[N@@H+]1Cc1noc(C(C)(C)C)n1 ZINC000045809954 368432122 /nfs/dbraw/zinc/43/21/22/368432122.db2.gz GLLNJAFPBBXZKZ-SNVBAGLBSA-N 1 2 237.347 2.742 20 0 BFADLO C[C@@H]1CCCC[N@H+]1Cc1noc(C(C)(C)C)n1 ZINC000045809954 368432130 /nfs/dbraw/zinc/43/21/30/368432130.db2.gz GLLNJAFPBBXZKZ-SNVBAGLBSA-N 1 2 237.347 2.742 20 0 BFADLO CCC[C@@H](C)N(C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000057912441 368504423 /nfs/dbraw/zinc/50/44/23/368504423.db2.gz OOUJJVJVYMWVBK-LLVKDONJSA-N 1 2 245.326 2.595 20 0 BFADLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCOCC1 ZINC000154018198 326125576 /nfs/dbraw/zinc/12/55/76/326125576.db2.gz NTDWEYVDPYGOFD-ZDUSSCGKSA-N 1 2 241.281 2.748 20 0 BFADLO c1cc2c(s1)CCN(c1cccc[nH+]1)C2 ZINC000073350440 368803283 /nfs/dbraw/zinc/80/32/83/368803283.db2.gz MZHPFNCEQCDVAC-UHFFFAOYSA-N 1 2 216.309 2.706 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1ccc2c(c1)OCO2 ZINC000073350217 368803363 /nfs/dbraw/zinc/80/33/63/368803363.db2.gz NTIDTEIGAXJZMN-JTQLQIEISA-N 1 2 242.278 2.983 20 0 BFADLO CC[C@](C)([NH2+]Cc1ccno1)c1nccs1 ZINC000072683943 368778468 /nfs/dbraw/zinc/77/84/68/368778468.db2.gz JSBZMHJVQYBJMJ-NSHDSACASA-N 1 2 237.328 2.546 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc(C(C)C)no1 ZINC000072804603 368781037 /nfs/dbraw/zinc/78/10/37/368781037.db2.gz KLKNWRRGTURNHZ-UHFFFAOYSA-N 1 2 245.282 2.754 20 0 BFADLO C[C@H](C(=O)Nc1ccc[nH+]c1N(C)C)C1CCC1 ZINC000457490205 203069128 /nfs/dbraw/zinc/06/91/28/203069128.db2.gz TZCSLIICAGCJQS-JTQLQIEISA-N 1 2 247.342 2.522 20 0 BFADLO CCOC1C[NH+](Cc2ccccc2Cl)C1 ZINC000459593560 203308415 /nfs/dbraw/zinc/30/84/15/203308415.db2.gz JFNJSKYNDSTTHE-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO CCc1cccc(N(C)CCCn2cc[nH+]c2)c1 ZINC000459594109 203310555 /nfs/dbraw/zinc/31/05/55/203310555.db2.gz PLZLEXUQDKQRLM-UHFFFAOYSA-N 1 2 243.354 2.972 20 0 BFADLO Cc1cc(F)c(C[N@@H+](C)[C@@H](C)CO)c(Cl)c1 ZINC000459553250 203299323 /nfs/dbraw/zinc/29/93/23/203299323.db2.gz ALWWUBVKGMSQLN-VIFPVBQESA-N 1 2 245.725 2.600 20 0 BFADLO Cc1cc(F)c(C[N@H+](C)[C@@H](C)CO)c(Cl)c1 ZINC000459553250 203299325 /nfs/dbraw/zinc/29/93/25/203299325.db2.gz ALWWUBVKGMSQLN-VIFPVBQESA-N 1 2 245.725 2.600 20 0 BFADLO Fc1ccc(/C=C\C[NH2+]CC(F)F)cc1F ZINC000459551672 203299563 /nfs/dbraw/zinc/29/95/63/203299563.db2.gz WUMAHQXKIGSBJY-UPHRSURJSA-N 1 2 233.208 2.833 20 0 BFADLO CCOC1C[NH+](Cc2cccc(Cl)c2)C1 ZINC000459601740 203315150 /nfs/dbraw/zinc/31/51/50/203315150.db2.gz YZYIRKHVNVMDSL-UHFFFAOYSA-N 1 2 225.719 2.561 20 0 BFADLO CCOC1C[NH+](C/C=C/c2ccc(F)cc2)C1 ZINC000459613803 203316363 /nfs/dbraw/zinc/31/63/63/203316363.db2.gz VZRVDKKYLOEVAK-ONEGZZNKSA-N 1 2 235.302 2.560 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(F)cc2C)C1 ZINC000459617648 203316466 /nfs/dbraw/zinc/31/64/66/203316466.db2.gz HWQXJTXNOBXKPR-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO COCC1(C)C[NH+](Cc2ccsc2Cl)C1 ZINC000459623537 203321812 /nfs/dbraw/zinc/32/18/12/203321812.db2.gz QYFDURDYOJQDBY-UHFFFAOYSA-N 1 2 245.775 2.870 20 0 BFADLO CCc1ccc(C[NH+]2CC(OC(F)F)C2)cc1 ZINC000459640393 203327988 /nfs/dbraw/zinc/32/79/88/203327988.db2.gz QUCWSIUMWUGPRN-UHFFFAOYSA-N 1 2 241.281 2.672 20 0 BFADLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cscn1 ZINC000073007174 369523922 /nfs/dbraw/zinc/52/39/22/369523922.db2.gz MGSXNSQZNYZVEW-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H](NC(=O)CC1CCCCC1)c1[nH+]ccn1C ZINC000082283354 370980422 /nfs/dbraw/zinc/98/04/22/370980422.db2.gz WXKPLMSCHWFVQC-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO C[N@@H+](Cc1cn2ccccc2n1)Cc1ccco1 ZINC000061783380 369850291 /nfs/dbraw/zinc/85/02/91/369850291.db2.gz UIUZVBNRWFVQOU-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO C[N@H+](Cc1cn2ccccc2n1)Cc1ccco1 ZINC000061783380 369850294 /nfs/dbraw/zinc/85/02/94/369850294.db2.gz UIUZVBNRWFVQOU-UHFFFAOYSA-N 1 2 241.294 2.559 20 0 BFADLO Cc1cn2ccc(NC(=O)C(C)(C)C)cc2[nH+]1 ZINC000620648850 369972177 /nfs/dbraw/zinc/97/21/77/369972177.db2.gz MSQGQCGJPUYUSD-UHFFFAOYSA-N 1 2 231.299 2.627 20 0 BFADLO Cc1cn2ccc(NC(=O)C3CCCC3)cc2[nH+]1 ZINC000620647412 369972372 /nfs/dbraw/zinc/97/23/72/369972372.db2.gz BWCLPYTXOLHAHT-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO C[C@H](NC(=O)C1CCCCCC1)c1[nH+]ccn1C ZINC000620593998 369946772 /nfs/dbraw/zinc/94/67/72/369946772.db2.gz ANVIXFOGYAOHAB-NSHDSACASA-N 1 2 249.358 2.568 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2cccc(F)c2)o1 ZINC000621283129 370212953 /nfs/dbraw/zinc/21/29/53/370212953.db2.gz FKDIHQYKPGGJQF-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@H](C)c2cccc(F)c2)o1 ZINC000621283129 370212957 /nfs/dbraw/zinc/21/29/57/370212957.db2.gz FKDIHQYKPGGJQF-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO C[C@H](CNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000309590901 370233200 /nfs/dbraw/zinc/23/32/00/370233200.db2.gz USJNJBNJRMNAEU-SECBINFHSA-N 1 2 217.316 2.812 20 0 BFADLO CC[C@@H](Cc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000309863454 370269761 /nfs/dbraw/zinc/26/97/61/370269761.db2.gz NPKVKZXHNZKTNZ-LBPRGKRZSA-N 1 2 215.300 2.843 20 0 BFADLO COc1ccc[nH+]c1NC1CC(C(C)C)C1 ZINC000309875494 370271200 /nfs/dbraw/zinc/27/12/00/370271200.db2.gz SNAZJZDCXBDJDP-UHFFFAOYSA-N 1 2 220.316 2.937 20 0 BFADLO FC(F)[C@H]([NH2+]Cc1cn[nH]c1)C1CCCCC1 ZINC000621401870 370340027 /nfs/dbraw/zinc/34/00/27/370340027.db2.gz MDQVLXCIUXGKMR-LLVKDONJSA-N 1 2 243.301 2.713 20 0 BFADLO CCCCC[NH2+][C@@H](Cc1ccccc1)C(=O)OC ZINC000125212727 371302336 /nfs/dbraw/zinc/30/23/36/371302336.db2.gz HWGVODSBBWZNQL-AWEZNQCLSA-N 1 2 249.354 2.551 20 0 BFADLO CCC(F)(F)CN[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000624147885 371342959 /nfs/dbraw/zinc/34/29/59/371342959.db2.gz NTWIMMHVZJJLCI-SNVBAGLBSA-N 1 2 243.301 2.506 20 0 BFADLO CCC(F)(F)CN[C@H](c1[nH+]ccn1C)C1CC1 ZINC000624147884 371343223 /nfs/dbraw/zinc/34/32/23/371343223.db2.gz NTWIMMHVZJJLCI-JTQLQIEISA-N 1 2 243.301 2.506 20 0 BFADLO COc1ccc[nH+]c1N1CCC[C@@H](C2CC2)C1 ZINC000624226899 371415874 /nfs/dbraw/zinc/41/58/74/371415874.db2.gz AMUVGOSXHOJMHS-GFCCVEGCSA-N 1 2 232.327 2.717 20 0 BFADLO CC1(C)C[C@@H](Sc2[nH+]cnc3[nH]ccc32)CO1 ZINC000624484015 371519225 /nfs/dbraw/zinc/51/92/25/371519225.db2.gz FCDCZHAMJOIBEP-MRVPVSSYSA-N 1 2 249.339 2.618 20 0 BFADLO CCc1cc(N[C@@H](CC)CSC)nc[nH+]1 ZINC000162139316 371614195 /nfs/dbraw/zinc/61/41/95/371614195.db2.gz GUGHVKSCKKUALU-JTQLQIEISA-N 1 2 225.361 2.593 20 0 BFADLO OCC1(CNc2cc3ccccc3c[nH+]2)CCC1 ZINC000631207065 372235009 /nfs/dbraw/zinc/23/50/09/372235009.db2.gz DBXIHJNYRIOLPZ-UHFFFAOYSA-N 1 2 242.322 2.809 20 0 BFADLO CC(C)[C@H](CO)CNc1cc2ccccc2c[nH+]1 ZINC000631277408 372273860 /nfs/dbraw/zinc/27/38/60/372273860.db2.gz ZBHBJUNGTUUALI-AWEZNQCLSA-N 1 2 244.338 2.911 20 0 BFADLO CC(C)[C@@H](CO)CNc1cc2ccccc2c[nH+]1 ZINC000631277409 372274106 /nfs/dbraw/zinc/27/41/06/372274106.db2.gz ZBHBJUNGTUUALI-CQSZACIVSA-N 1 2 244.338 2.911 20 0 BFADLO CCCCc1cc(N[C@H]2CCOC2(C)C)nc[nH+]1 ZINC000631291199 372278159 /nfs/dbraw/zinc/27/81/59/372278159.db2.gz SVSZCVRCDCMTAZ-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO CCCCc1cc(N[C@@H]2CCOC2(C)C)nc[nH+]1 ZINC000631291198 372278826 /nfs/dbraw/zinc/27/88/26/372278826.db2.gz SVSZCVRCDCMTAZ-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO CCCCc1cc(N[C@H]2COCC2(C)C)nc[nH+]1 ZINC000631294147 372279916 /nfs/dbraw/zinc/27/99/16/372279916.db2.gz GUXMOXVXLKEODC-LBPRGKRZSA-N 1 2 249.358 2.656 20 0 BFADLO CCCCc1cc(N[C@H]2COC(C)(C)C2)nc[nH+]1 ZINC000631349721 372307659 /nfs/dbraw/zinc/30/76/59/372307659.db2.gz JVJYSNODVGLYTR-GFCCVEGCSA-N 1 2 249.358 2.799 20 0 BFADLO C[C@@H](Nc1cc2ccccc2c[nH+]1)C1(CO)CC1 ZINC000631367187 372318093 /nfs/dbraw/zinc/31/80/93/372318093.db2.gz SXSSOZSMTJXXOX-LLVKDONJSA-N 1 2 242.322 2.808 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@H]2c2ccco2)cc[nH+]1 ZINC000631420427 372352090 /nfs/dbraw/zinc/35/20/90/372352090.db2.gz DXRCUQAPRJMNTI-CYBMUJFWSA-N 1 2 243.310 2.966 20 0 BFADLO Cc1ccc(CNc2cc(NC3CC3)[nH+]cn2)o1 ZINC000631511289 372401274 /nfs/dbraw/zinc/40/12/74/372401274.db2.gz YJXRAFSOVBKURA-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO Cc1ccc(CNc2cc(NC3CC3)nc[nH+]2)o1 ZINC000631511289 372401278 /nfs/dbraw/zinc/40/12/78/372401278.db2.gz YJXRAFSOVBKURA-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO Cc1nc(N2CCC(C)(F)CC2)c(C)c(C)[nH+]1 ZINC000631516217 372403523 /nfs/dbraw/zinc/40/35/23/372403523.db2.gz MIIHDAUTRHVJRY-UHFFFAOYSA-N 1 2 237.322 2.730 20 0 BFADLO C[C@H]([NH2+]Cc1cocn1)c1ccncc1Cl ZINC000631650876 372482256 /nfs/dbraw/zinc/48/22/56/372482256.db2.gz MBUROOYWDJWWOL-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c[nH+]1 ZINC000631607362 372458137 /nfs/dbraw/zinc/45/81/37/372458137.db2.gz OWULXGRVSDORIC-IHRRRGAJSA-N 1 2 244.338 2.760 20 0 BFADLO COc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(F)F ZINC000631635492 372471811 /nfs/dbraw/zinc/47/18/11/372471811.db2.gz VXGPXZQPAFGCII-GFCCVEGCSA-N 1 2 241.281 2.927 20 0 BFADLO CC[C@H](C)Cc1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000632251044 372833992 /nfs/dbraw/zinc/83/39/92/372833992.db2.gz WKZURXXFDWDVDP-WDEREUQCSA-N 1 2 248.330 2.658 20 0 BFADLO CC[C@H](C)Cc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000632251043 372834694 /nfs/dbraw/zinc/83/46/94/372834694.db2.gz WKZURXXFDWDVDP-QWRGUYRKSA-N 1 2 248.330 2.658 20 0 BFADLO CCS[C@H]1CCCC[N@H+](CC(F)F)C1 ZINC000171994687 372852986 /nfs/dbraw/zinc/85/29/86/372852986.db2.gz MGSGZOCXLIJOKV-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CCS[C@H]1CCCC[N@@H+](CC(F)F)C1 ZINC000171994687 372852992 /nfs/dbraw/zinc/85/29/92/372852992.db2.gz MGSGZOCXLIJOKV-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO Fc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000040420460 373258906 /nfs/dbraw/zinc/25/89/06/373258906.db2.gz WUGUAUHIACMRTR-UHFFFAOYSA-N 1 2 222.288 2.572 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccc(C)cc1 ZINC000184697819 205706165 /nfs/dbraw/zinc/70/61/65/205706165.db2.gz ZNCFMROZKUFRAP-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO CCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287681589 168852430 /nfs/dbraw/zinc/85/24/30/168852430.db2.gz YKIGCLPNQDZUBV-UHFFFAOYSA-N 1 2 221.304 2.620 20 0 BFADLO CC(C)CCn1cccc1C[NH2+]Cc1ccn[nH]1 ZINC000174366647 374187872 /nfs/dbraw/zinc/18/78/72/374187872.db2.gz ADUWKNDAWYPWHY-UHFFFAOYSA-N 1 2 246.358 2.547 20 0 BFADLO CC[C@@H](F)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440468055 206078283 /nfs/dbraw/zinc/07/82/83/206078283.db2.gz MRLVPIOFIZKIEA-GFCCVEGCSA-N 1 2 239.338 2.780 20 0 BFADLO CC[C@@H](F)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440468055 206078285 /nfs/dbraw/zinc/07/82/85/206078285.db2.gz MRLVPIOFIZKIEA-GFCCVEGCSA-N 1 2 239.338 2.780 20 0 BFADLO COc1cc(C)ccc1C[N@H+](C)Cc1ccon1 ZINC000449031028 206095313 /nfs/dbraw/zinc/09/53/13/206095313.db2.gz TUXZFQUWUDVCON-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc(C)ccc1C[N@@H+](C)Cc1ccon1 ZINC000449031028 206095317 /nfs/dbraw/zinc/09/53/17/206095317.db2.gz TUXZFQUWUDVCON-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO OCC[C@@H](Nc1ccc2ccccc2[nH+]1)C1CC1 ZINC000301379302 183091619 /nfs/dbraw/zinc/09/16/19/183091619.db2.gz XSDNVSSMEBJVGG-CQSZACIVSA-N 1 2 242.322 2.808 20 0 BFADLO CCCCc1nc(C[N@@H+]2CC[C@@H](CC)C2)no1 ZINC000125157366 169026174 /nfs/dbraw/zinc/02/61/74/169026174.db2.gz ZNVZAZSWDGYLDE-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CC[C@@H](CC)C2)no1 ZINC000125157366 169026176 /nfs/dbraw/zinc/02/61/76/169026176.db2.gz ZNVZAZSWDGYLDE-LLVKDONJSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339569219 169033119 /nfs/dbraw/zinc/03/31/19/169033119.db2.gz RSGHOWXQOBPWEW-VWYCJHECSA-N 1 2 237.347 2.813 20 0 BFADLO CCCCc1noc([C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)n1 ZINC000339569219 169033120 /nfs/dbraw/zinc/03/31/20/169033120.db2.gz RSGHOWXQOBPWEW-VWYCJHECSA-N 1 2 237.347 2.813 20 0 BFADLO CCCCn1cc(CNc2cccc[nH+]2)c(C)n1 ZINC000358460692 169036580 /nfs/dbraw/zinc/03/65/80/169036580.db2.gz GPYOVBXECVUUJN-UHFFFAOYSA-N 1 2 244.342 2.999 20 0 BFADLO CCCN(C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000179869017 169044213 /nfs/dbraw/zinc/04/42/13/169044213.db2.gz SCEHKUVANXWVAA-UHFFFAOYSA-N 1 2 233.315 2.796 20 0 BFADLO CCC[N@H+](CC(=O)OCC)Cc1cccs1 ZINC000050051958 169101973 /nfs/dbraw/zinc/10/19/73/169101973.db2.gz LQNCWSDMZPSRBB-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO CCC[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000128325299 169082567 /nfs/dbraw/zinc/08/25/67/169082567.db2.gz VCZFIVSBCCNWHH-UHFFFAOYSA-N 1 2 237.328 2.640 20 0 BFADLO CCC[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000128325299 169082570 /nfs/dbraw/zinc/08/25/70/169082570.db2.gz VCZFIVSBCCNWHH-UHFFFAOYSA-N 1 2 237.328 2.640 20 0 BFADLO CCC[N@@H+](CC(=O)OCC)Cc1cccs1 ZINC000050051958 169101974 /nfs/dbraw/zinc/10/19/74/169101974.db2.gz LQNCWSDMZPSRBB-UHFFFAOYSA-N 1 2 241.356 2.523 20 0 BFADLO CCCN(CC)c1[nH]c2ccccc2[nH+]1 ZINC000357509943 169133891 /nfs/dbraw/zinc/13/38/91/169133891.db2.gz JPCUPZSMARSZMG-UHFFFAOYSA-N 1 2 203.289 2.799 20 0 BFADLO CCCN(CC)c1cc[nH+]c2ccncc21 ZINC000290763835 169133980 /nfs/dbraw/zinc/13/39/80/169133980.db2.gz KKLWSULOCFJGQN-UHFFFAOYSA-N 1 2 215.300 2.866 20 0 BFADLO CCCN(C[C@H]1CCCCO1)c1cc(C)[nH+]cn1 ZINC000301238892 169173263 /nfs/dbraw/zinc/17/32/63/169173263.db2.gz FHZPSSUCAWUYBO-CYBMUJFWSA-N 1 2 249.358 2.571 20 0 BFADLO CCC[N@H+](CCCC(=O)CC)CC(F)F ZINC000347758270 169154256 /nfs/dbraw/zinc/15/42/56/169154256.db2.gz PWQHNJLMZBPXES-UHFFFAOYSA-N 1 2 221.291 2.723 20 0 BFADLO CCC[N@@H+](CCCC(=O)CC)CC(F)F ZINC000347758270 169154257 /nfs/dbraw/zinc/15/42/57/169154257.db2.gz PWQHNJLMZBPXES-UHFFFAOYSA-N 1 2 221.291 2.723 20 0 BFADLO Oc1cccc(C[NH2+]Cc2ccco2)c1Cl ZINC000328193823 183291537 /nfs/dbraw/zinc/29/15/37/183291537.db2.gz DMIJMGFQMMSLMD-UHFFFAOYSA-N 1 2 237.686 2.928 20 0 BFADLO CCCN(CCc1ccccn1)c1cccc[nH+]1 ZINC000277177232 169170908 /nfs/dbraw/zinc/17/09/08/169170908.db2.gz VAKCRRJRBCTSQV-UHFFFAOYSA-N 1 2 241.338 2.936 20 0 BFADLO c1c[nH+]c(CNc2ccc([C@@H]3CCOC3)cc2)[nH]1 ZINC000293185502 183325788 /nfs/dbraw/zinc/32/57/88/183325788.db2.gz WVLCLLWBYUXNSQ-GFCCVEGCSA-N 1 2 243.310 2.526 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@H+]2Cc2cscn2)c1 ZINC000127378688 183326916 /nfs/dbraw/zinc/32/69/16/183326916.db2.gz QTLBLKZWBUEFAH-LBPRGKRZSA-N 1 2 233.340 2.808 20 0 BFADLO c1c[nH]c([C@@H]2CCC[N@@H+]2Cc2cscn2)c1 ZINC000127378688 183326918 /nfs/dbraw/zinc/32/69/18/183326918.db2.gz QTLBLKZWBUEFAH-LBPRGKRZSA-N 1 2 233.340 2.808 20 0 BFADLO CCCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000303178941 169203741 /nfs/dbraw/zinc/20/37/41/169203741.db2.gz COYAIXZFUXAJMA-UHFFFAOYSA-N 1 2 246.398 2.993 20 0 BFADLO CCC[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293294552 169211090 /nfs/dbraw/zinc/21/10/90/169211090.db2.gz WDKQFRQYPUWATB-UHFFFAOYSA-N 1 2 227.311 2.598 20 0 BFADLO CCC[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000293294552 169211092 /nfs/dbraw/zinc/21/10/92/169211092.db2.gz WDKQFRQYPUWATB-UHFFFAOYSA-N 1 2 227.311 2.598 20 0 BFADLO c1c[nH+]c(CNc2cccc3c2CCCC3)[nH]1 ZINC000049714500 183365572 /nfs/dbraw/zinc/36/55/72/183365572.db2.gz NGNJRJNYFWARBL-UHFFFAOYSA-N 1 2 227.311 2.901 20 0 BFADLO c1nc(C[N@@H+]2CCC[C@H]2c2ccncc2)cs1 ZINC000270966560 183361318 /nfs/dbraw/zinc/36/13/18/183361318.db2.gz BJMNAEBRLLEEOE-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO c1nc(C[N@H+]2CCC[C@H]2c2ccncc2)cs1 ZINC000270966560 183361319 /nfs/dbraw/zinc/36/13/19/183361319.db2.gz BJMNAEBRLLEEOE-ZDUSSCGKSA-N 1 2 245.351 2.875 20 0 BFADLO c1cn(CCCOCCc2ccccc2)c[nH+]1 ZINC000158755661 183395011 /nfs/dbraw/zinc/39/50/11/183395011.db2.gz OMCNFMMAADRBKJ-UHFFFAOYSA-N 1 2 230.311 2.533 20 0 BFADLO c1cn(CCSCCc2ccccc2)c[nH+]1 ZINC000090202662 183395198 /nfs/dbraw/zinc/39/51/98/183395198.db2.gz KNHAYDMGYHYEND-UHFFFAOYSA-N 1 2 232.352 2.859 20 0 BFADLO CCCO[C@@H]1CCCN(c2cc(C)[nH+]cn2)CC1 ZINC000110587424 169312057 /nfs/dbraw/zinc/31/20/57/169312057.db2.gz NPDUUYGBFOCQEO-CYBMUJFWSA-N 1 2 249.358 2.571 20 0 BFADLO c1c[nH+]c(CNc2ccccc2N2CCCC2)[nH]1 ZINC000049714988 183413629 /nfs/dbraw/zinc/41/36/29/183413629.db2.gz KTYZMOXCRHXKEX-UHFFFAOYSA-N 1 2 242.326 2.622 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000107359813 169353523 /nfs/dbraw/zinc/35/35/23/169353523.db2.gz ZZLQIAOEXHKBSI-SECBINFHSA-N 1 2 206.289 2.765 20 0 BFADLO CCC[C@@H](C)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000337355011 169371169 /nfs/dbraw/zinc/37/11/69/169371169.db2.gz BSTHPHWEKLBWHH-DGCLKSJQSA-N 1 2 244.342 2.672 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000035273943 383847544 /nfs/dbraw/zinc/84/75/44/383847544.db2.gz XXTFXPLUEIBWSG-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO CC(C)n1c[nH+]cc1CNc1cnoc1C1CC1 ZINC000564879227 383862428 /nfs/dbraw/zinc/86/24/28/383862428.db2.gz RAVBIQLYESZIMX-UHFFFAOYSA-N 1 2 246.314 2.942 20 0 BFADLO CCCCN(Cc1[nH+]ccn1C)CC(F)(F)F ZINC000112339418 383916725 /nfs/dbraw/zinc/91/67/25/383916725.db2.gz WZSNAXWIEKSFNQ-UHFFFAOYSA-N 1 2 249.280 2.585 20 0 BFADLO CCN(CC1CC1)c1cc[nH+]c(C2CC2)n1 ZINC000112558686 383930833 /nfs/dbraw/zinc/93/08/33/383930833.db2.gz OHMPTFWDNKEOMV-UHFFFAOYSA-N 1 2 217.316 2.590 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H](C)c2ccccc2)no1 ZINC000066854061 383896406 /nfs/dbraw/zinc/89/64/06/383896406.db2.gz KZUHJDYZIJKQTD-LLVKDONJSA-N 1 2 245.326 2.614 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H](C)c2ccccc2)no1 ZINC000066854061 383896416 /nfs/dbraw/zinc/89/64/16/383896416.db2.gz KZUHJDYZIJKQTD-LLVKDONJSA-N 1 2 245.326 2.614 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000066864526 383896906 /nfs/dbraw/zinc/89/69/06/383896906.db2.gz JEVYDJDVUQQOEA-LLVKDONJSA-N 1 2 245.326 2.670 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CCn2cccc2[C@H]1C ZINC000066864526 383896911 /nfs/dbraw/zinc/89/69/11/383896911.db2.gz JEVYDJDVUQQOEA-LLVKDONJSA-N 1 2 245.326 2.670 20 0 BFADLO CC[C@@H]([NH2+]Cc1cccnc1C)C(F)F ZINC000449362493 383980656 /nfs/dbraw/zinc/98/06/56/383980656.db2.gz MZRNGAKFRXDHQQ-SNVBAGLBSA-N 1 2 214.259 2.523 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1ccc(Cl)cn1 ZINC000558408743 383991320 /nfs/dbraw/zinc/99/13/20/383991320.db2.gz QXDFOEVEOSZFSM-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cn1 ZINC000558408743 383991329 /nfs/dbraw/zinc/99/13/29/383991329.db2.gz QXDFOEVEOSZFSM-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(Cl)cc1 ZINC000114188263 384027194 /nfs/dbraw/zinc/02/71/94/384027194.db2.gz AVGPNOPQGRMDAK-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CSc1ccc(NC[C@@H]2CCC=CO2)[nH+]c1 ZINC000278537414 384007045 /nfs/dbraw/zinc/00/70/45/384007045.db2.gz WLJITZSSQRZXKM-JTQLQIEISA-N 1 2 236.340 2.908 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(Cl)cc1 ZINC000114188263 384027200 /nfs/dbraw/zinc/02/72/00/384027200.db2.gz AVGPNOPQGRMDAK-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cn3ccsc3n2)o1 ZINC000069062219 384029123 /nfs/dbraw/zinc/02/91/23/384029123.db2.gz UKVCZHCQOLQVNL-UHFFFAOYSA-N 1 2 247.323 2.587 20 0 BFADLO Fc1cccc(CSCCn2cc[nH+]c2)c1 ZINC000090199367 384035151 /nfs/dbraw/zinc/03/51/51/384035151.db2.gz GWNJYGNCHMIZMP-UHFFFAOYSA-N 1 2 236.315 2.956 20 0 BFADLO Cc1cc(C)cc(OCc2c[nH+]cn2C)c1 ZINC000090233702 384038383 /nfs/dbraw/zinc/03/83/83/384038383.db2.gz XQJOIRLSMICDLA-UHFFFAOYSA-N 1 2 216.284 2.616 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000038034485 384062151 /nfs/dbraw/zinc/06/21/51/384062151.db2.gz UFGYKPJEHORSLI-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CCOc1ccc([NH2+]CC2(C)COC2)cc1 ZINC000070616748 384125364 /nfs/dbraw/zinc/12/53/64/384125364.db2.gz YMVYFKOYUPUUIE-UHFFFAOYSA-N 1 2 221.300 2.534 20 0 BFADLO C[C@H]([NH2+]Cc1cccc(O)c1)c1nccs1 ZINC000070650480 384130932 /nfs/dbraw/zinc/13/09/32/384130932.db2.gz IVMOABGNMRSDOE-VIFPVBQESA-N 1 2 234.324 2.700 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000449388908 384147671 /nfs/dbraw/zinc/14/76/71/384147671.db2.gz QTGYFWTUHISQCI-NSHDSACASA-N 1 2 213.683 2.884 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000449388908 384147675 /nfs/dbraw/zinc/14/76/75/384147675.db2.gz QTGYFWTUHISQCI-NSHDSACASA-N 1 2 213.683 2.884 20 0 BFADLO c1nc(C[NH2+][C@@H]2CCOc3ccccc32)cs1 ZINC000040420998 384151308 /nfs/dbraw/zinc/15/13/08/384151308.db2.gz IJMMZVARQRFHKB-GFCCVEGCSA-N 1 2 246.335 2.757 20 0 BFADLO COC(=O)[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000117941812 384185373 /nfs/dbraw/zinc/18/53/73/384185373.db2.gz VZHCMOMJNJXCQC-FZMZJTMJSA-N 1 2 247.338 2.679 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000530963123 384191807 /nfs/dbraw/zinc/19/18/07/384191807.db2.gz OLMNMOBLOBUUEE-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000530963123 384191814 /nfs/dbraw/zinc/19/18/14/384191814.db2.gz OLMNMOBLOBUUEE-CYBMUJFWSA-N 1 2 243.310 2.715 20 0 BFADLO c1coc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729598 384192486 /nfs/dbraw/zinc/19/24/86/384192486.db2.gz ZCDFKBHCEMXAGW-LBPRGKRZSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729598 384192491 /nfs/dbraw/zinc/19/24/91/384192491.db2.gz ZCDFKBHCEMXAGW-LBPRGKRZSA-N 1 2 231.299 2.730 20 0 BFADLO c1coc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000092729598 384192493 /nfs/dbraw/zinc/19/24/93/384192493.db2.gz ZCDFKBHCEMXAGW-LBPRGKRZSA-N 1 2 231.299 2.730 20 0 BFADLO C[C@H]1SCCN(c2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000118385711 384199382 /nfs/dbraw/zinc/19/93/82/384199382.db2.gz IBWFWROVLIDZJQ-NXEZZACHSA-N 1 2 249.383 2.684 20 0 BFADLO CC/C=C(/C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119070281 384231501 /nfs/dbraw/zinc/23/15/01/384231501.db2.gz QVQIZOMDGZVMRY-TWGQIWQCSA-N 1 2 218.300 2.993 20 0 BFADLO Cc1nc(N2CC3(C2)CCCCC3)cc[nH+]1 ZINC000336476135 384232437 /nfs/dbraw/zinc/23/24/37/384232437.db2.gz VEJFKQKZJYONQV-UHFFFAOYSA-N 1 2 217.316 2.556 20 0 BFADLO CC(C)(C)c1nc(C[NH+]2C[C@H]3CCC[C@@H]3C2)no1 ZINC000153197259 384218283 /nfs/dbraw/zinc/21/82/83/384218283.db2.gz ZBHOIRZGSJYNRO-GHMZBOCLSA-N 1 2 249.358 2.599 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2occc2C)n1 ZINC000093336439 384228490 /nfs/dbraw/zinc/22/84/90/384228490.db2.gz FXHMCPKBSOLFJE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2occc2C)n1 ZINC000093336439 384228494 /nfs/dbraw/zinc/22/84/94/384228494.db2.gz FXHMCPKBSOLFJE-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(NC(=O)C[C@@H]2C=CCC2)c(C)[nH+]1 ZINC000119255311 384251438 /nfs/dbraw/zinc/25/14/38/384251438.db2.gz BVRVAEPYEWKTNO-GFCCVEGCSA-N 1 2 230.311 2.993 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CCc3ccsc3C2)o1 ZINC000132811371 384256317 /nfs/dbraw/zinc/25/63/17/384256317.db2.gz LEFSPZSEOXFIRD-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CCc3ccsc3C2)o1 ZINC000132811371 384256321 /nfs/dbraw/zinc/25/63/21/384256321.db2.gz LEFSPZSEOXFIRD-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1ccsc1CNc1cc(C)[nH+]cn1 ZINC000082686894 384256499 /nfs/dbraw/zinc/25/64/99/384256499.db2.gz YRNQQSNRZUYAMO-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Cc1cc(N2CCOCC2)ccc1[NH2+]C(C)C ZINC000132988367 384266984 /nfs/dbraw/zinc/26/69/84/384266984.db2.gz FJTLMGMYHMFZNE-UHFFFAOYSA-N 1 2 234.343 2.652 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)no1 ZINC000173806860 384270366 /nfs/dbraw/zinc/27/03/66/384270366.db2.gz YHHIAOSFKAPEEP-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)no1 ZINC000173806860 384270372 /nfs/dbraw/zinc/27/03/72/384270372.db2.gz YHHIAOSFKAPEEP-RYUDHWBXSA-N 1 2 249.358 2.787 20 0 BFADLO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccco1 ZINC000134441462 384358731 /nfs/dbraw/zinc/35/87/31/384358731.db2.gz FAZUUVDHWQCKPG-VIFPVBQESA-N 1 2 247.323 2.840 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)C(=O)OC ZINC000134965130 384404089 /nfs/dbraw/zinc/40/40/89/384404089.db2.gz HGWCUBPGHDFSGI-WCQYABFASA-N 1 2 235.327 2.597 20 0 BFADLO Clc1cccc(C2([NH2+]Cc3c[nH]cn3)CC2)c1 ZINC000077467807 384407187 /nfs/dbraw/zinc/40/71/87/384407187.db2.gz IGTKFSCFAUVTAO-UHFFFAOYSA-N 1 2 247.729 2.842 20 0 BFADLO CCN(C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000121275479 384407231 /nfs/dbraw/zinc/40/72/31/384407231.db2.gz NIUXUOJJHNIEBH-UHFFFAOYSA-N 1 2 221.304 2.652 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@@H]1C ZINC000121423938 384417439 /nfs/dbraw/zinc/41/74/39/384417439.db2.gz ZXZMEUOOJMVCTN-ONGXEEELSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)NC[C@H](C)C(C)C)cc[nH+]1 ZINC000179829659 384381720 /nfs/dbraw/zinc/38/17/20/384381720.db2.gz RBDWOZRJNAOKBH-JTQLQIEISA-N 1 2 235.331 2.804 20 0 BFADLO COc1cccnc1C[NH2+][C@@H](C)c1ccoc1 ZINC000556434684 384386578 /nfs/dbraw/zinc/38/65/78/384386578.db2.gz LYAIVKZKKCZYSU-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO Cc1nc(N[C@@H](CCO)C2CCCCC2)cc[nH+]1 ZINC000078264759 384438102 /nfs/dbraw/zinc/43/81/02/384438102.db2.gz PVGJNBHVIKRCRP-ZDUSSCGKSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1noc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)n1 ZINC000122167569 384462875 /nfs/dbraw/zinc/46/28/75/384462875.db2.gz XLWHDQJTGGWKQE-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO CCCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000096907885 384483384 /nfs/dbraw/zinc/48/33/84/384483384.db2.gz ANLDJFLVPKZMGO-UHFFFAOYSA-N 1 2 203.289 2.799 20 0 BFADLO Cc1cc(NC(=O)c2cc(F)ccc2F)cc[nH+]1 ZINC000070891295 384503529 /nfs/dbraw/zinc/50/35/29/384503529.db2.gz IVHGPKHAOFQNPL-UHFFFAOYSA-N 1 2 248.232 2.921 20 0 BFADLO c1cn2c(n1)C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000559071371 384513526 /nfs/dbraw/zinc/51/35/26/384513526.db2.gz PXRYBWJWLRTTBP-ZDUSSCGKSA-N 1 2 231.343 2.588 20 0 BFADLO c1cn2c(n1)C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000559071371 384513533 /nfs/dbraw/zinc/51/35/33/384513533.db2.gz PXRYBWJWLRTTBP-ZDUSSCGKSA-N 1 2 231.343 2.588 20 0 BFADLO FC(F)n1ccnc1C[N@@H+]1CCC2(CCC2)C1 ZINC000123339977 384551778 /nfs/dbraw/zinc/55/17/78/384551778.db2.gz IKFWEVSPJBMIMF-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO FC(F)n1ccnc1C[N@H+]1CCC2(CCC2)C1 ZINC000123339977 384551782 /nfs/dbraw/zinc/55/17/82/384551782.db2.gz IKFWEVSPJBMIMF-UHFFFAOYSA-N 1 2 241.285 2.654 20 0 BFADLO CSc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714464 384556825 /nfs/dbraw/zinc/55/68/25/384556825.db2.gz JMDVHOGITCLIRP-UHFFFAOYSA-N 1 2 219.313 2.744 20 0 BFADLO Cc1ccc(Cl)cc1NCc1[nH]cc[nH+]1 ZINC000049714446 384558399 /nfs/dbraw/zinc/55/83/99/384558399.db2.gz PYACGGDTNOXRSY-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO Cc1ccc(NC(=O)CCc2ccoc2)c(C)[nH+]1 ZINC000176202054 384576735 /nfs/dbraw/zinc/57/67/35/384576735.db2.gz WISYUWLRTCNHEZ-UHFFFAOYSA-N 1 2 244.294 2.863 20 0 BFADLO CC1(C)C[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000309757725 384593218 /nfs/dbraw/zinc/59/32/18/384593218.db2.gz HYWSSNKJHOWBPZ-GFCCVEGCSA-N 1 2 213.284 2.840 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1CCC=CCC1 ZINC000635565775 384598792 /nfs/dbraw/zinc/59/87/92/384598792.db2.gz RFOIXOACYPYGLB-UHFFFAOYSA-N 1 2 244.338 2.751 20 0 BFADLO Cc1cc[nH+]c(NCC[C@H]2CCOC2)c1Cl ZINC000309843637 384665267 /nfs/dbraw/zinc/66/52/67/384665267.db2.gz FNGGCKPGSVPBNL-JTQLQIEISA-N 1 2 240.734 2.882 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCC(C)(C)O ZINC000309855262 384670225 /nfs/dbraw/zinc/67/02/25/384670225.db2.gz KCWLNGRLHXKMIN-UHFFFAOYSA-N 1 2 223.316 2.577 20 0 BFADLO COC(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000048583879 384674811 /nfs/dbraw/zinc/67/48/11/384674811.db2.gz WVYOEUQCYCCNML-UHFFFAOYSA-N 1 2 249.354 2.589 20 0 BFADLO COC(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000048583879 384674819 /nfs/dbraw/zinc/67/48/19/384674819.db2.gz WVYOEUQCYCCNML-UHFFFAOYSA-N 1 2 249.354 2.589 20 0 BFADLO CCc1ccc(C[NH2+][C@](C)(CC)C(=O)OC)cc1 ZINC000428295532 384640854 /nfs/dbraw/zinc/64/08/54/384640854.db2.gz KVSOLDWSPUQLHX-OAHLLOKOSA-N 1 2 249.354 2.680 20 0 BFADLO Cc1cc(C[NH2+]Cc2ccc(Cl)o2)no1 ZINC000044296586 384655026 /nfs/dbraw/zinc/65/50/26/384655026.db2.gz OWOVVBHWWOWUCK-UHFFFAOYSA-N 1 2 226.663 2.519 20 0 BFADLO CS[C@@H]1CCCCN(c2cc(C)[nH+]cn2)C1 ZINC000154648202 384656413 /nfs/dbraw/zinc/65/64/13/384656413.db2.gz KYRZSJXXWOYNLF-LLVKDONJSA-N 1 2 237.372 2.507 20 0 BFADLO CS[C@H]1CCCCN(c2cc(C)[nH+]cn2)C1 ZINC000154648089 384656481 /nfs/dbraw/zinc/65/64/81/384656481.db2.gz KYRZSJXXWOYNLF-NSHDSACASA-N 1 2 237.372 2.507 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1cccs1 ZINC000309866283 384678801 /nfs/dbraw/zinc/67/88/01/384678801.db2.gz OSIIUCZZMRITAJ-UHFFFAOYSA-N 1 2 235.356 2.805 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000173451967 384679601 /nfs/dbraw/zinc/67/96/01/384679601.db2.gz WCAZBCJTSFBVBW-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000173451967 384679606 /nfs/dbraw/zinc/67/96/06/384679606.db2.gz WCAZBCJTSFBVBW-SECBINFHSA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)o1 ZINC000356995273 384690570 /nfs/dbraw/zinc/69/05/70/384690570.db2.gz GQIUJCKHVQOJQG-NEPJUHHUSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)o1 ZINC000356995273 384690572 /nfs/dbraw/zinc/69/05/72/384690572.db2.gz GQIUJCKHVQOJQG-NEPJUHHUSA-N 1 2 238.331 2.545 20 0 BFADLO Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)cn1 ZINC000294259317 384703163 /nfs/dbraw/zinc/70/31/63/384703163.db2.gz XEJSQKQOJFQARH-JQWIXIFHSA-N 1 2 228.299 2.704 20 0 BFADLO CC(C)Oc1ccccc1NCc1[nH+]ccn1C ZINC000051923090 384703326 /nfs/dbraw/zinc/70/33/26/384703326.db2.gz SFRRORCXXQUKRS-UHFFFAOYSA-N 1 2 245.326 2.819 20 0 BFADLO CCc1cccc(C)c1NCc1[nH+]ccn1C ZINC000051923588 384704642 /nfs/dbraw/zinc/70/46/42/384704642.db2.gz TUQDRIAUZIPPQK-UHFFFAOYSA-N 1 2 229.327 2.903 20 0 BFADLO CCOc1cc(C)ccc1NCc1[nH+]ccn1C ZINC000051923743 384705659 /nfs/dbraw/zinc/70/56/59/384705659.db2.gz NCKJAIIASKOQFG-UHFFFAOYSA-N 1 2 245.326 2.739 20 0 BFADLO Fc1cc(C[NH+]2CCSCC2)cc(F)c1F ZINC000126204547 384780779 /nfs/dbraw/zinc/78/07/79/384780779.db2.gz SASCUIHJDMSYFS-UHFFFAOYSA-N 1 2 247.285 2.653 20 0 BFADLO CC(=O)[C@H](C)SCc1cn2c(cccc2C)[nH+]1 ZINC000083121893 384743740 /nfs/dbraw/zinc/74/37/40/384743740.db2.gz HDSJOAMVYPGNFJ-NSHDSACASA-N 1 2 248.351 2.853 20 0 BFADLO CCc1cccc(N(C)Cc2ccc(N)[nH+]c2)c1 ZINC000647551721 384753280 /nfs/dbraw/zinc/75/32/80/384753280.db2.gz FIXJFMJQFZOMJP-UHFFFAOYSA-N 1 2 241.338 2.693 20 0 BFADLO CC(C)(C)c1ccc(C[NH+]2CCOCC2)s1 ZINC000144653114 384758472 /nfs/dbraw/zinc/75/84/72/384758472.db2.gz WXVMSSDFBVOJDP-UHFFFAOYSA-N 1 2 239.384 2.878 20 0 BFADLO CC(C)CCC(=O)N(C)c1ccc[nH+]c1N(C)C ZINC000176798607 384787050 /nfs/dbraw/zinc/78/70/50/384787050.db2.gz RWVHCJYXDYOPGL-UHFFFAOYSA-N 1 2 249.358 2.547 20 0 BFADLO C[C@H](C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C1CC1 ZINC000175287136 384889860 /nfs/dbraw/zinc/88/98/60/384889860.db2.gz KHASUZBRBCEKMI-JQWIXIFHSA-N 1 2 247.342 2.509 20 0 BFADLO C[C@@H]([NH2+]CC1CCSCC1)C(F)(F)F ZINC000308641984 384888435 /nfs/dbraw/zinc/88/84/35/384888435.db2.gz FFELTLIZUQDMDA-SSDOTTSWSA-N 1 2 227.295 2.670 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)o1 ZINC000186557856 384855068 /nfs/dbraw/zinc/85/50/68/384855068.db2.gz VWAKXZXHLGITRT-NEPJUHHUSA-N 1 2 249.310 2.955 20 0 BFADLO CC[C@@H](C)C[NH2+][C@@H](C(=O)OC)c1cccs1 ZINC000336673140 384857623 /nfs/dbraw/zinc/85/76/23/384857623.db2.gz AYFXISYWGXYUGL-MWLCHTKSSA-N 1 2 241.356 2.598 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C1CCCC1 ZINC000107292124 384960896 /nfs/dbraw/zinc/96/08/96/384960896.db2.gz FEBGFDZKKJOGFW-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO Cc1n[nH]c(C)c1CNc1ccc([NH+](C)C)cc1 ZINC000057641128 384956605 /nfs/dbraw/zinc/95/66/05/384956605.db2.gz JYMBBRZESWNXDH-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO Cc1csc(CNc2c[nH+]ccc2C)n1 ZINC000119012453 384957790 /nfs/dbraw/zinc/95/77/90/384957790.db2.gz MUSQTIUSFVNUAG-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1F)c1csnn1 ZINC000398310531 384902908 /nfs/dbraw/zinc/90/29/08/384902908.db2.gz YUUMBIBAWJURHY-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CCOCCC1(CNc2cccc[nH+]2)CC1 ZINC000127799337 384914490 /nfs/dbraw/zinc/91/44/90/384914490.db2.gz JHKDJTRQEOWWSI-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccccn2)s1 ZINC000127546936 384916385 /nfs/dbraw/zinc/91/63/85/384916385.db2.gz NOCZJSVKXKFAAC-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2cccn2C)o1 ZINC000175492859 384917451 /nfs/dbraw/zinc/91/74/51/384917451.db2.gz PVWXTJCUYYUAPB-ZDUSSCGKSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cccn2C)o1 ZINC000175492859 384917459 /nfs/dbraw/zinc/91/74/59/384917459.db2.gz PVWXTJCUYYUAPB-ZDUSSCGKSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1ccc(NCc2c[nH+]cn2C)c(C)c1 ZINC000085167644 384924503 /nfs/dbraw/zinc/92/45/03/384924503.db2.gz GJBBRTZMDNCDMX-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)C(F)F ZINC000565760982 384947877 /nfs/dbraw/zinc/94/78/77/384947877.db2.gz AEIGSWSOHTVLBY-LLVKDONJSA-N 1 2 240.297 2.704 20 0 BFADLO CCc1ccccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557481826 384970159 /nfs/dbraw/zinc/97/01/59/384970159.db2.gz UWMUCLHZQMQDBH-UHFFFAOYSA-N 1 2 246.354 2.529 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ncc[nH]2)c(Cl)c1 ZINC000404479873 385009481 /nfs/dbraw/zinc/00/94/81/385009481.db2.gz JMDIFRLNNQTLST-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO C[C@H](CCC1CC1)Nc1nc[nH+]c(N)c1Cl ZINC000302855328 385009701 /nfs/dbraw/zinc/00/97/01/385009701.db2.gz RPXFFZHSRRANNP-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@H](CCC1CC1)Nc1[nH+]cnc(N)c1Cl ZINC000302855328 385009707 /nfs/dbraw/zinc/00/97/07/385009707.db2.gz RPXFFZHSRRANNP-SSDOTTSWSA-N 1 2 240.738 2.703 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)sn1 ZINC000404469450 385014475 /nfs/dbraw/zinc/01/44/75/385014475.db2.gz PMJWVDCWWMHDTG-SECBINFHSA-N 1 2 232.299 2.729 20 0 BFADLO CCOc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000164898230 385051286 /nfs/dbraw/zinc/05/12/86/385051286.db2.gz KHLZIFYQHAWCSR-NWDGAFQWSA-N 1 2 235.327 2.922 20 0 BFADLO Cc1cc[nH+]c(NC[C@@](C)(O)C(C)C)c1Cl ZINC000336683457 385069633 /nfs/dbraw/zinc/06/96/33/385069633.db2.gz SFPRMBNKKXNVHU-GFCCVEGCSA-N 1 2 242.750 2.862 20 0 BFADLO CC(C)Cn1nccc1C[NH2+]C(C)(C)C(F)F ZINC000647207876 385079182 /nfs/dbraw/zinc/07/91/82/385079182.db2.gz RRBNVWWEKLDDPZ-UHFFFAOYSA-N 1 2 245.317 2.672 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCC1CCC1 ZINC000176547839 385111851 /nfs/dbraw/zinc/11/18/51/385111851.db2.gz QRMSDYCKIBZSCY-UHFFFAOYSA-N 1 2 218.300 2.909 20 0 BFADLO C[C@@H](Nc1[nH+]ccc2ccc(F)cc21)[C@H](C)CO ZINC000354327176 385112094 /nfs/dbraw/zinc/11/20/94/385112094.db2.gz HOPOBPWUXVXEJA-NXEZZACHSA-N 1 2 248.301 2.803 20 0 BFADLO C[C@@H](CO)[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354327178 385113587 /nfs/dbraw/zinc/11/35/87/385113587.db2.gz HOPOBPWUXVXEJA-VHSXEESVSA-N 1 2 248.301 2.803 20 0 BFADLO CC[C@@H](C)CSc1nc(N)cc(C)[nH+]1 ZINC000088495747 385119772 /nfs/dbraw/zinc/11/97/72/385119772.db2.gz FUHOJTDYMORATQ-SSDOTTSWSA-N 1 2 211.334 2.505 20 0 BFADLO CS[C@H]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000227357829 385123182 /nfs/dbraw/zinc/12/31/82/385123182.db2.gz GBIPPGVOYHBHLQ-QWRGUYRKSA-N 1 2 237.372 2.871 20 0 BFADLO CC[N@H+](CCC(C)=O)Cc1c(F)cccc1F ZINC000151710535 385127303 /nfs/dbraw/zinc/12/73/03/385127303.db2.gz CNJIXXOZEZVCCW-UHFFFAOYSA-N 1 2 241.281 2.766 20 0 BFADLO CC[N@@H+](CCC(C)=O)Cc1c(F)cccc1F ZINC000151710535 385127308 /nfs/dbraw/zinc/12/73/08/385127308.db2.gz CNJIXXOZEZVCCW-UHFFFAOYSA-N 1 2 241.281 2.766 20 0 BFADLO CC[C@@H](C)C[N@H+](CC)Cc1noc(C2CC2)n1 ZINC000177859759 385131407 /nfs/dbraw/zinc/13/14/07/385131407.db2.gz WGEGLBHFLKCKDF-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@@H](C)C[N@@H+](CC)Cc1noc(C2CC2)n1 ZINC000177859759 385131414 /nfs/dbraw/zinc/13/14/14/385131414.db2.gz WGEGLBHFLKCKDF-SNVBAGLBSA-N 1 2 237.347 2.815 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716741 385133027 /nfs/dbraw/zinc/13/30/27/385133027.db2.gz ROZCJPVXEKETBD-NWDGAFQWSA-N 1 2 239.265 2.597 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716741 385133030 /nfs/dbraw/zinc/13/30/30/385133030.db2.gz ROZCJPVXEKETBD-NWDGAFQWSA-N 1 2 239.265 2.597 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000165511781 385138985 /nfs/dbraw/zinc/13/89/85/385138985.db2.gz PFONXAHHHXJGMT-VXGBXAGGSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000165511781 385138991 /nfs/dbraw/zinc/13/89/91/385138991.db2.gz PFONXAHHHXJGMT-VXGBXAGGSA-N 1 2 234.343 2.590 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000644682221 385096146 /nfs/dbraw/zinc/09/61/46/385096146.db2.gz WAFNJNOQVDZBBK-USWWRNFRSA-N 1 2 237.322 2.526 20 0 BFADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](C)[C@@H](F)C2)cn1 ZINC000644682221 385096157 /nfs/dbraw/zinc/09/61/57/385096157.db2.gz WAFNJNOQVDZBBK-USWWRNFRSA-N 1 2 237.322 2.526 20 0 BFADLO CO[C@H](C)[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165318939 385104356 /nfs/dbraw/zinc/10/43/56/385104356.db2.gz XIFCHNPWHWEWCS-NWDGAFQWSA-N 1 2 249.358 2.517 20 0 BFADLO CN(CCC[N@H+](C)CC(F)F)c1ccccc1 ZINC000564724748 385182815 /nfs/dbraw/zinc/18/28/15/385182815.db2.gz CDMGLYWPGMRZOI-UHFFFAOYSA-N 1 2 242.313 2.710 20 0 BFADLO CN(CCC[N@@H+](C)CC(F)F)c1ccccc1 ZINC000564724748 385182819 /nfs/dbraw/zinc/18/28/19/385182819.db2.gz CDMGLYWPGMRZOI-UHFFFAOYSA-N 1 2 242.313 2.710 20 0 BFADLO CC[N@H+](Cc1ncc[nH]1)Cc1ccccc1C ZINC000109829973 385192600 /nfs/dbraw/zinc/19/26/00/385192600.db2.gz OVJRAHDVTWBQRO-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO CC[N@@H+](Cc1ncc[nH]1)Cc1ccccc1C ZINC000109829973 385192612 /nfs/dbraw/zinc/19/26/12/385192612.db2.gz OVJRAHDVTWBQRO-UHFFFAOYSA-N 1 2 229.327 2.740 20 0 BFADLO c1c(CSC[C@H]2CCCO2)[nH+]c2ccccn12 ZINC000176896731 385157284 /nfs/dbraw/zinc/15/72/84/385157284.db2.gz HXSUOYLEKPTRRW-GFCCVEGCSA-N 1 2 248.351 2.747 20 0 BFADLO Cc1noc(C)c1[C@H](C)CNc1cccc[nH+]1 ZINC000129551443 385163530 /nfs/dbraw/zinc/16/35/30/385163530.db2.gz PMGWYUBTFVQGDZ-SECBINFHSA-N 1 2 231.299 2.902 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2ccncc2F)on1 ZINC000559767478 385165223 /nfs/dbraw/zinc/16/52/23/385165223.db2.gz XHHHERKTRBMBBM-VIFPVBQESA-N 1 2 249.289 2.622 20 0 BFADLO Cc1ccc(NC(=O)NCCC(C)C)c(C)[nH+]1 ZINC000152237453 385166920 /nfs/dbraw/zinc/16/69/20/385166920.db2.gz QUHRWLGADBWUMG-UHFFFAOYSA-N 1 2 235.331 2.866 20 0 BFADLO CC[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000152797833 385210863 /nfs/dbraw/zinc/21/08/63/385210863.db2.gz BQNUMFCIZKSSIU-JTQLQIEISA-N 1 2 217.316 2.590 20 0 BFADLO CCCCN(C)c1cc[nH+]c(C2CC2)n1 ZINC000110111122 385212638 /nfs/dbraw/zinc/21/26/38/385212638.db2.gz IVNZQEAVITUSMM-UHFFFAOYSA-N 1 2 205.305 2.590 20 0 BFADLO CO[C@H](C)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000167326162 385309030 /nfs/dbraw/zinc/30/90/30/385309030.db2.gz HRVQOTNGXKHCPB-LLVKDONJSA-N 1 2 218.300 2.688 20 0 BFADLO Cc1nnc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000177824924 385288921 /nfs/dbraw/zinc/28/89/21/385288921.db2.gz FNIHCSFVHFZDRJ-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1nnc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000177824924 385288928 /nfs/dbraw/zinc/28/89/28/385288928.db2.gz FNIHCSFVHFZDRJ-IINYFYTJSA-N 1 2 243.310 2.571 20 0 BFADLO COC[C@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000308917088 385290421 /nfs/dbraw/zinc/29/04/21/385290421.db2.gz GFHWMFPVMGJFPL-MRVPVSSYSA-N 1 2 228.723 2.738 20 0 BFADLO Cc1ccc2c(c1)CN(c1cc[nH+]c(C)n1)C2 ZINC000335852182 385297522 /nfs/dbraw/zinc/29/75/22/385297522.db2.gz JRNLSDPQMSCGQI-UHFFFAOYSA-N 1 2 225.295 2.614 20 0 BFADLO Cc1[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c[nH+]1 ZINC000407998047 385344772 /nfs/dbraw/zinc/34/47/72/385344772.db2.gz QHYOXVFFRIPBAH-VXGBXAGGSA-N 1 2 249.358 2.663 20 0 BFADLO CCCCNc1ccccc1C[NH+]1CCOCC1 ZINC000154802080 385358342 /nfs/dbraw/zinc/35/83/42/385358342.db2.gz NMGFXMLXHQMOMQ-UHFFFAOYSA-N 1 2 248.370 2.731 20 0 BFADLO CC(C)(C)Oc1cc[nH+]cc1NC(=O)CC1CC1 ZINC000131782492 385360943 /nfs/dbraw/zinc/36/09/43/385360943.db2.gz UURMFUMRCUXBJY-UHFFFAOYSA-N 1 2 248.326 2.998 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccco1)c1ccon1 ZINC000309022301 385365475 /nfs/dbraw/zinc/36/54/75/385365475.db2.gz XXHDLJQNTGPPHT-IUCAKERBSA-N 1 2 206.245 2.679 20 0 BFADLO CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C(=O)OC ZINC000193099433 385385057 /nfs/dbraw/zinc/38/50/57/385385057.db2.gz ITLYEWCZFAQNPT-TZMCWYRMSA-N 1 2 249.354 2.549 20 0 BFADLO Cc1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000194150278 385424175 /nfs/dbraw/zinc/42/41/75/385424175.db2.gz OWULXGRVSDORIC-MGPQQGTHSA-N 1 2 244.338 2.760 20 0 BFADLO Cc1ccc(N[C@H]2[C@H]3CCO[C@H]3C23CCC3)c[nH+]1 ZINC000194150294 385424858 /nfs/dbraw/zinc/42/48/58/385424858.db2.gz OWULXGRVSDORIC-HZSPNIEDSA-N 1 2 244.338 2.760 20 0 BFADLO Cc1cscc1NCc1[nH+]cc(C)n1C ZINC000309186469 385459094 /nfs/dbraw/zinc/45/90/94/385459094.db2.gz OWYGNSFWSXEJBR-UHFFFAOYSA-N 1 2 221.329 2.711 20 0 BFADLO CC[C@H](CNc1[nH+]ccc(C)c1Cl)OC ZINC000309226491 385491036 /nfs/dbraw/zinc/49/10/36/385491036.db2.gz WCKHMMOETRYOKM-SECBINFHSA-N 1 2 228.723 2.880 20 0 BFADLO C[C@@H](C[C@@H]1CCCO1)Nc1cc[nH+]c(C2CC2)n1 ZINC000110484462 385493252 /nfs/dbraw/zinc/49/32/52/385493252.db2.gz VTKNNVUHXCZHST-JQWIXIFHSA-N 1 2 247.342 2.724 20 0 BFADLO CC(C)c1nc(N[C@H](C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000110484550 385493277 /nfs/dbraw/zinc/49/32/77/385493277.db2.gz PQKFHMRWVQIDLY-NEPJUHHUSA-N 1 2 249.358 2.970 20 0 BFADLO CC[C@@H]1CN(c2cc[nH+]c(C(C)C)n2)C[C@H](C)O1 ZINC000110598604 385495603 /nfs/dbraw/zinc/49/56/03/385495603.db2.gz OTRVUPVDFXMHFN-NWDGAFQWSA-N 1 2 249.358 2.604 20 0 BFADLO C[N@H+](Cc1cscn1)[C@H]1C=CCCC1 ZINC000171734768 385513905 /nfs/dbraw/zinc/51/39/05/385513905.db2.gz ZNXGDYVMFZBTKR-NSHDSACASA-N 1 2 208.330 2.684 20 0 BFADLO C[N@@H+](Cc1cscn1)[C@H]1C=CCCC1 ZINC000171734768 385513908 /nfs/dbraw/zinc/51/39/08/385513908.db2.gz ZNXGDYVMFZBTKR-NSHDSACASA-N 1 2 208.330 2.684 20 0 BFADLO CC[C@H]1C[C@H](C(=O)Nc2cc[nH+]cc2C)CCO1 ZINC000180303045 385517068 /nfs/dbraw/zinc/51/70/68/385517068.db2.gz GSXHFQHKRQSHCB-NEPJUHHUSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)c(C)o1 ZINC000107287254 385563254 /nfs/dbraw/zinc/56/32/54/385563254.db2.gz KFOYBQQJESFILH-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO CC(C)c1nc(C[NH+]2[C@@H](C)CCC[C@@H]2C)no1 ZINC000066531807 385569071 /nfs/dbraw/zinc/56/90/71/385569071.db2.gz ZDLJZXWMWCWNHF-QWRGUYRKSA-N 1 2 237.347 2.956 20 0 BFADLO CC(F)(F)C[NH2+]Cc1ccc2cnccc2c1 ZINC000645195164 385595712 /nfs/dbraw/zinc/59/57/12/385595712.db2.gz CFTUWJQUAOCSIX-UHFFFAOYSA-N 1 2 236.265 2.980 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000181544074 385582397 /nfs/dbraw/zinc/58/23/97/385582397.db2.gz ZAZQKPGKKSYEKN-SNVBAGLBSA-N 1 2 232.283 2.539 20 0 BFADLO CSc1ccc(C[N@@H+]2CCO[C@H](C)C2)s1 ZINC000334682377 385605692 /nfs/dbraw/zinc/60/56/92/385605692.db2.gz WRAXBIZVFVQICO-SECBINFHSA-N 1 2 243.397 2.691 20 0 BFADLO CSc1ccc(C[N@H+]2CCO[C@H](C)C2)s1 ZINC000334682377 385605698 /nfs/dbraw/zinc/60/56/98/385605698.db2.gz WRAXBIZVFVQICO-SECBINFHSA-N 1 2 243.397 2.691 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000337380961 385621086 /nfs/dbraw/zinc/62/10/86/385621086.db2.gz CFCKDXCGKUDHLC-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000337380961 385621091 /nfs/dbraw/zinc/62/10/91/385621091.db2.gz CFCKDXCGKUDHLC-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CCOc1cccc([C@@H](C)[NH2+]Cc2cocn2)c1 ZINC000182075396 385632680 /nfs/dbraw/zinc/63/26/80/385632680.db2.gz VSSBPKFLPNNRDR-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO c1cn(Cc2csc(-c3ccoc3)n2)c[nH+]1 ZINC000108357520 385635953 /nfs/dbraw/zinc/63/59/53/385635953.db2.gz HFEARZCRKBJOMQ-UHFFFAOYSA-N 1 2 231.280 2.648 20 0 BFADLO CC(C)COCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337389894 385640072 /nfs/dbraw/zinc/64/00/72/385640072.db2.gz GXENPXZJTIGROO-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337389894 385640080 /nfs/dbraw/zinc/64/00/80/385640080.db2.gz GXENPXZJTIGROO-NSHDSACASA-N 1 2 235.318 2.779 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cncc(C)c2)no1 ZINC000337415761 385645679 /nfs/dbraw/zinc/64/56/79/385645679.db2.gz PEDWYSYPHJGCDS-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CSCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337425750 385654594 /nfs/dbraw/zinc/65/45/94/385654594.db2.gz WQTFDVYGIFITBS-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO CSCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337425750 385654597 /nfs/dbraw/zinc/65/45/97/385654597.db2.gz WQTFDVYGIFITBS-VIFPVBQESA-N 1 2 223.332 2.859 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccc(C)cc2)no1 ZINC000182322576 385657593 /nfs/dbraw/zinc/65/75/93/385657593.db2.gz DBOZUWVTRMYWAZ-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@H+]1CC=C(C)CC1 ZINC000270140736 385674676 /nfs/dbraw/zinc/67/46/76/385674676.db2.gz IHXPVAZCCNCPGA-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO COC(=O)[C@H](c1ccccc1)[N@@H+]1CC=C(C)CC1 ZINC000270140736 385674680 /nfs/dbraw/zinc/67/46/80/385674680.db2.gz IHXPVAZCCNCPGA-AWEZNQCLSA-N 1 2 245.322 2.553 20 0 BFADLO C[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1cccs1 ZINC000182543062 385679766 /nfs/dbraw/zinc/67/97/66/385679766.db2.gz DGDDQFYDMBQHJJ-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO CC(C)c1nc(N[C@@H]2CSC[C@@H]2C)cc[nH+]1 ZINC000309549224 385681241 /nfs/dbraw/zinc/68/12/41/385681241.db2.gz HPJKQGZIZFSKKA-VHSXEESVSA-N 1 2 237.372 2.763 20 0 BFADLO F[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309546356 385681623 /nfs/dbraw/zinc/68/16/23/385681623.db2.gz BVHKPEIDDVLEKX-ZJUUUORDSA-N 1 2 221.279 2.657 20 0 BFADLO CC(C)(C)OCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337509601 385690268 /nfs/dbraw/zinc/69/02/68/385690268.db2.gz IABHSWHXTQTHNG-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO CC(C)(C)OCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337509601 385690270 /nfs/dbraw/zinc/69/02/70/385690270.db2.gz IABHSWHXTQTHNG-JTQLQIEISA-N 1 2 235.318 2.921 20 0 BFADLO Cc1cnc(C[N@H+]2CC=C(C(F)(F)F)CC2)o1 ZINC000270298218 385694361 /nfs/dbraw/zinc/69/43/61/385694361.db2.gz OFYALUBDBPFNKT-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1cnc(C[N@@H+]2CC=C(C(F)(F)F)CC2)o1 ZINC000270298218 385694369 /nfs/dbraw/zinc/69/43/69/385694369.db2.gz OFYALUBDBPFNKT-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO CCSCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337531311 385696368 /nfs/dbraw/zinc/69/63/68/385696368.db2.gz VMBMAERLRKVVHE-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCSCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337531311 385696373 /nfs/dbraw/zinc/69/63/73/385696373.db2.gz VMBMAERLRKVVHE-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCc1ccc(C[NH2+]Cc2oc(CC)nc2C)o1 ZINC000291777039 385698467 /nfs/dbraw/zinc/69/84/67/385698467.db2.gz ULUIIPAKNRACID-UHFFFAOYSA-N 1 2 248.326 2.991 20 0 BFADLO CC(=O)c1ccc(NCc2c[nH+]cn2C)cc1C ZINC000270324191 385699193 /nfs/dbraw/zinc/69/91/93/385699193.db2.gz LNHLCLATFZQFJI-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Fc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000309568793 385704315 /nfs/dbraw/zinc/70/43/15/385704315.db2.gz LYFBNVVGEADSSS-UHFFFAOYSA-N 1 2 220.222 2.972 20 0 BFADLO CN(CCCn1cc[nH+]c1)c1ccccc1F ZINC000182885205 385715513 /nfs/dbraw/zinc/71/55/13/385715513.db2.gz QMJPROYTTDUMHR-UHFFFAOYSA-N 1 2 233.290 2.549 20 0 BFADLO c1ccc2[nH+]c(N3C[C@@H]4CCC[C@@H]4C3)[nH]c2c1 ZINC000270553246 385716489 /nfs/dbraw/zinc/71/64/89/385716489.db2.gz GVAKQYTVOBHDMN-PHIMTYICSA-N 1 2 227.311 2.799 20 0 BFADLO Cc1cc(C[N@H+](Cc2cccnc2)C2CC2)on1 ZINC000270549919 385716704 /nfs/dbraw/zinc/71/67/04/385716704.db2.gz NYPBFVZVCKAZSY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc(C[N@@H+](Cc2cccnc2)C2CC2)on1 ZINC000270549919 385716712 /nfs/dbraw/zinc/71/67/12/385716712.db2.gz NYPBFVZVCKAZSY-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccc(NC(=O)C(C)(C)C)c(C)[nH+]1 ZINC000094667171 385728468 /nfs/dbraw/zinc/72/84/68/385728468.db2.gz LMUPUQCXHIZIQT-UHFFFAOYSA-N 1 2 206.289 2.683 20 0 BFADLO Cc1cc[nH+]c(NCC(C)(C)CCO)c1Cl ZINC000309622502 385750183 /nfs/dbraw/zinc/75/01/83/385750183.db2.gz DWBYSMBYFNZQEH-UHFFFAOYSA-N 1 2 242.750 2.864 20 0 BFADLO COCc1ccc(C[N@H+](C)Cc2ccco2)o1 ZINC000271018726 385772755 /nfs/dbraw/zinc/77/27/55/385772755.db2.gz ALHNHCWZRUAZQV-UHFFFAOYSA-N 1 2 235.283 2.651 20 0 BFADLO COCc1ccc(C[N@@H+](C)Cc2ccco2)o1 ZINC000271018726 385772757 /nfs/dbraw/zinc/77/27/57/385772757.db2.gz ALHNHCWZRUAZQV-UHFFFAOYSA-N 1 2 235.283 2.651 20 0 BFADLO FC1(F)CCC[C@H](COCc2[nH]cc[nH+]2)C1 ZINC000337747966 385773910 /nfs/dbraw/zinc/77/39/10/385773910.db2.gz HMIAYXHIAIZXLI-VIFPVBQESA-N 1 2 230.258 2.752 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)C(F)(F)F ZINC000309671079 385784163 /nfs/dbraw/zinc/78/41/63/385784163.db2.gz VXHKVJZMMJVUHU-WPRPVWTQSA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H]([NH2+][C@H](C)C1CCOCC1)C(F)(F)F ZINC000309671078 385784946 /nfs/dbraw/zinc/78/49/46/385784946.db2.gz VXHKVJZMMJVUHU-SCZZXKLOSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)on1 ZINC000270651167 385727075 /nfs/dbraw/zinc/72/70/75/385727075.db2.gz LVVVDJCECLITIN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccccn2)on1 ZINC000270651167 385727081 /nfs/dbraw/zinc/72/70/81/385727081.db2.gz LVVVDJCECLITIN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1C(C)C)c1[nH]cc[nH+]1 ZINC000283037937 385806399 /nfs/dbraw/zinc/80/63/99/385806399.db2.gz PBWGYDPPIKGICE-TUAOUCFPSA-N 1 2 249.358 2.515 20 0 BFADLO COC(=O)[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000231664879 385811183 /nfs/dbraw/zinc/81/11/83/385811183.db2.gz YWKMGVFWFWUWGL-OCCSQVGLSA-N 1 2 249.354 2.577 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC(C)(C)C2)no1 ZINC000112702028 385857452 /nfs/dbraw/zinc/85/74/52/385857452.db2.gz POVAETKIGZHDOX-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC(C)(C)C2)no1 ZINC000112702028 385857454 /nfs/dbraw/zinc/85/74/54/385857454.db2.gz POVAETKIGZHDOX-UHFFFAOYSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)o1 ZINC000397925572 385820088 /nfs/dbraw/zinc/82/00/88/385820088.db2.gz QYFWLKQLKBDBSU-ZANVPECISA-N 1 2 246.310 2.989 20 0 BFADLO FC(F)(F)[C@@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000336737936 385822717 /nfs/dbraw/zinc/82/27/17/385822717.db2.gz QVMMXGSTAFFHTK-APPZFPTMSA-N 1 2 239.306 2.670 20 0 BFADLO C[C@@H]1C[C@H](Nc2cc[nH+]c3ccncc23)CCO1 ZINC000271392216 385823669 /nfs/dbraw/zinc/82/36/69/385823669.db2.gz MBIBCGLRBOGFEI-GHMZBOCLSA-N 1 2 243.310 2.609 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cscn1 ZINC000271446121 385828921 /nfs/dbraw/zinc/82/89/21/385828921.db2.gz CZEGXCLJBLKSOL-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cscn1 ZINC000271446121 385828925 /nfs/dbraw/zinc/82/89/25/385828925.db2.gz CZEGXCLJBLKSOL-PSASIEDQSA-N 1 2 248.355 2.594 20 0 BFADLO Cc1cc(C[N@H+](Cc2ccccn2)C2CC2)on1 ZINC000271554378 385836079 /nfs/dbraw/zinc/83/60/79/385836079.db2.gz OSTQFWQOVXPXCS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc(C[N@@H+](Cc2ccccn2)C2CC2)on1 ZINC000271554378 385836083 /nfs/dbraw/zinc/83/60/83/385836083.db2.gz OSTQFWQOVXPXCS-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000070979899 385840909 /nfs/dbraw/zinc/84/09/09/385840909.db2.gz MTCQMKJCHPVECK-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000070979899 385840914 /nfs/dbraw/zinc/84/09/14/385840914.db2.gz MTCQMKJCHPVECK-UHFFFAOYSA-N 1 2 230.286 2.853 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1cc[nH]c1C1CC1 ZINC000283973560 385843515 /nfs/dbraw/zinc/84/35/15/385843515.db2.gz MIFRUSYNLQNTHV-UHFFFAOYSA-N 1 2 241.294 2.848 20 0 BFADLO Cc1cc[nH+]c(NC[C@]2(C)CCOC2)c1Cl ZINC000309690859 385794522 /nfs/dbraw/zinc/79/45/22/385794522.db2.gz JEUIAKDKVDIENH-LBPRGKRZSA-N 1 2 240.734 2.882 20 0 BFADLO CC(F)(F)CCNc1cc[nH+]c(C2CC2)n1 ZINC000294869714 385907755 /nfs/dbraw/zinc/90/77/55/385907755.db2.gz DYIWGNJABFDEJR-UHFFFAOYSA-N 1 2 227.258 2.811 20 0 BFADLO FC(F)(F)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285315688 385915809 /nfs/dbraw/zinc/91/58/09/385915809.db2.gz IMMWRSZTDDGBLW-JTQLQIEISA-N 1 2 247.264 2.889 20 0 BFADLO FC(F)(F)CC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285315688 385915813 /nfs/dbraw/zinc/91/58/13/385915813.db2.gz IMMWRSZTDDGBLW-JTQLQIEISA-N 1 2 247.264 2.889 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)[C@H]1CCCCO1 ZINC000271913754 385861420 /nfs/dbraw/zinc/86/14/20/385861420.db2.gz BGGAMLURPXOTJK-ZYHUDNBSSA-N 1 2 247.342 2.724 20 0 BFADLO CCc1ccc(CCOCc2[nH]cc[nH+]2)cc1 ZINC000271913027 385861829 /nfs/dbraw/zinc/86/18/29/385861829.db2.gz AUQZEJAOUJIMIO-UHFFFAOYSA-N 1 2 230.311 2.731 20 0 BFADLO CCC1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCCC1 ZINC000284580940 385877433 /nfs/dbraw/zinc/87/74/33/385877433.db2.gz ZPHIGPLAVAUUKU-AATRIKPKSA-N 1 2 247.342 2.510 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccc[nH+]c2N(C)C)C1 ZINC000345077307 385987979 /nfs/dbraw/zinc/98/79/79/385987979.db2.gz OQGUGTPIDKIJRR-GHMZBOCLSA-N 1 2 247.342 2.522 20 0 BFADLO Cc1ccc2[nH+]cc(CN3CCC=C(F)C3)n2c1 ZINC000272893274 385948194 /nfs/dbraw/zinc/94/81/94/385948194.db2.gz ZNUDEBYENYQWDB-UHFFFAOYSA-N 1 2 245.301 2.702 20 0 BFADLO CC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000342200272 385955288 /nfs/dbraw/zinc/95/52/88/385955288.db2.gz ITINBNMJMHZNMY-SNVBAGLBSA-N 1 2 219.332 2.897 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2CCCC2)c[nH+]1 ZINC000335058315 385958088 /nfs/dbraw/zinc/95/80/88/385958088.db2.gz NEDYWJJXKRIOTR-UHFFFAOYSA-N 1 2 232.327 2.505 20 0 BFADLO Cc1noc(C)c1[C@@H](C)Nc1cccc[nH+]1 ZINC000072946741 385963419 /nfs/dbraw/zinc/96/34/19/385963419.db2.gz DAWZYSCTMGIGRL-MRVPVSSYSA-N 1 2 217.272 2.860 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccncc2F)o1 ZINC000338340886 385969575 /nfs/dbraw/zinc/96/95/75/385969575.db2.gz CIOCNTWWJFMAMV-NXEZZACHSA-N 1 2 249.289 2.929 20 0 BFADLO CCCCc1[nH+]c2ccccc2n1C[C@H](C)O ZINC000414110108 385969728 /nfs/dbraw/zinc/96/97/28/385969728.db2.gz VMDZZJGVOSDIGA-NSHDSACASA-N 1 2 232.327 2.760 20 0 BFADLO CC(C)(C)O[C@H]1C[C@@H](Nc2cccc[nH+]2)C1 ZINC000645365206 385998728 /nfs/dbraw/zinc/99/87/28/385998728.db2.gz BIXKWZKRMYJIBI-PHIMTYICSA-N 1 2 220.316 2.840 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1c[nH+]ccc1OC ZINC000286146507 385999531 /nfs/dbraw/zinc/99/95/31/385999531.db2.gz XCKDLSKBDPJNSY-SNVBAGLBSA-N 1 2 236.315 2.855 20 0 BFADLO Cc1cc(N2CC3(CC=CC3)[C@H]2C(C)C)nc[nH+]1 ZINC000645387059 386003889 /nfs/dbraw/zinc/00/38/89/386003889.db2.gz JFRHUUZARJZHGY-CQSZACIVSA-N 1 2 243.354 2.966 20 0 BFADLO Cc1cc[nH+]c(NCCOC(C)C)c1Cl ZINC000336769848 386005775 /nfs/dbraw/zinc/00/57/75/386005775.db2.gz WACUCESRYWYMJD-UHFFFAOYSA-N 1 2 228.723 2.880 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000295323368 386010469 /nfs/dbraw/zinc/01/04/69/386010469.db2.gz LLHMSGWNUPXJRB-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000295323368 386010475 /nfs/dbraw/zinc/01/04/75/386010475.db2.gz LLHMSGWNUPXJRB-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO C[NH2+]Cc1noc([C@H](F)CC2CCCCC2)n1 ZINC000414636443 386019037 /nfs/dbraw/zinc/01/90/37/386019037.db2.gz ALZGANLMILNPMG-SNVBAGLBSA-N 1 2 241.310 2.770 20 0 BFADLO Cc1nocc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000295363136 386021250 /nfs/dbraw/zinc/02/12/50/386021250.db2.gz NWDRCLBPAMNXRZ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nocc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000295363136 386021252 /nfs/dbraw/zinc/02/12/52/386021252.db2.gz NWDRCLBPAMNXRZ-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)o1 ZINC000414181586 386022368 /nfs/dbraw/zinc/02/23/68/386022368.db2.gz MOFUWBLGUIRPLU-MNOVXSKESA-N 1 2 247.342 2.987 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2CC=CCC2)cc(C)[nH+]1 ZINC000335072454 386027309 /nfs/dbraw/zinc/02/73/09/386027309.db2.gz GLJSYUGTYQWOJA-CQSZACIVSA-N 1 2 244.338 2.671 20 0 BFADLO CC[C@@H]1CCC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000414203226 386039834 /nfs/dbraw/zinc/03/98/34/386039834.db2.gz NKZDTUPLPCKCPE-RISCZKNCSA-N 1 2 238.375 2.513 20 0 BFADLO Cc1ccc(Cc2noc(CCC3CC3)n2)c[nH+]1 ZINC000273929484 386051191 /nfs/dbraw/zinc/05/11/91/386051191.db2.gz LVCOZLNEIRSELV-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CC[C@@H]([NH2+]c1ccc(-n2ccnn2)cc1)C1CC1 ZINC000638243930 386053292 /nfs/dbraw/zinc/05/32/92/386053292.db2.gz FCPYDKXUMDIBDB-CQSZACIVSA-N 1 2 242.326 2.868 20 0 BFADLO C/C=C/C[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000274463164 386107818 /nfs/dbraw/zinc/10/78/18/386107818.db2.gz KSDCDCMUJABXSY-IBUXWKBASA-N 1 2 242.322 2.974 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000425440910 386058554 /nfs/dbraw/zinc/05/85/54/386058554.db2.gz FHDZPGQVQIFSCJ-GHMZBOCLSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CC1 ZINC000425440910 386058560 /nfs/dbraw/zinc/05/85/60/386058560.db2.gz FHDZPGQVQIFSCJ-GHMZBOCLSA-N 1 2 233.302 2.531 20 0 BFADLO C[NH2+]Cc1noc(/C(F)=C\C2CCCCC2)n1 ZINC000414651534 386070374 /nfs/dbraw/zinc/07/03/74/386070374.db2.gz ZKNMEPSYMTTWHI-JXMROGBWSA-N 1 2 239.294 2.680 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1c(F)ccc(O)c1F ZINC000334441410 386071547 /nfs/dbraw/zinc/07/15/47/386071547.db2.gz ZUXXKNNBOSQWOW-YUMQZZPRSA-N 1 2 227.254 2.653 20 0 BFADLO C[C@H]1CC[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000345247885 386079248 /nfs/dbraw/zinc/07/92/48/386079248.db2.gz JJNRERHJFZTNBQ-WDEREUQCSA-N 1 2 243.310 2.709 20 0 BFADLO CCc1ccc(CNc2cccc[nH+]2)o1 ZINC000124524815 386087646 /nfs/dbraw/zinc/08/76/46/386087646.db2.gz PQTBWPIGUJRPEA-UHFFFAOYSA-N 1 2 202.257 2.849 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccc(C)cc2C)no1 ZINC000223642992 386091405 /nfs/dbraw/zinc/09/14/05/386091405.db2.gz CZAOMJOTKXTMIK-LLVKDONJSA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cn1 ZINC000335158877 386152973 /nfs/dbraw/zinc/15/29/73/386152973.db2.gz NQAIJQDGDAMKIM-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cn1 ZINC000335158877 386152977 /nfs/dbraw/zinc/15/29/77/386152977.db2.gz NQAIJQDGDAMKIM-ZDUSSCGKSA-N 1 2 241.338 2.768 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOCC3(CC3)C2)o1 ZINC000335158595 386153110 /nfs/dbraw/zinc/15/31/10/386153110.db2.gz VSKGIDFNCGWNAN-UHFFFAOYSA-N 1 2 241.718 2.545 20 0 BFADLO Clc1ccc(C[N@H+]2CCOCC3(CC3)C2)o1 ZINC000335158595 386153114 /nfs/dbraw/zinc/15/31/14/386153114.db2.gz VSKGIDFNCGWNAN-UHFFFAOYSA-N 1 2 241.718 2.545 20 0 BFADLO CCCCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296320177 386162148 /nfs/dbraw/zinc/16/21/48/386162148.db2.gz XBONPKFPXCXVTH-UHFFFAOYSA-N 1 2 246.310 2.977 20 0 BFADLO CC[C@@H](CCO)Nc1[nH+]ccc(C)c1Cl ZINC000336722441 386162666 /nfs/dbraw/zinc/16/26/66/386162666.db2.gz DYMYZNDGMBDGQH-VIFPVBQESA-N 1 2 228.723 2.616 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccoc1C)c1ccc(C)o1 ZINC000414367188 386162827 /nfs/dbraw/zinc/16/28/27/386162827.db2.gz RIHVOBADMSFGFT-CYBMUJFWSA-N 1 2 249.310 2.967 20 0 BFADLO C/C=C(\C)C(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000296328569 386163977 /nfs/dbraw/zinc/16/39/77/386163977.db2.gz XNZZWQCAGMPFPX-WEVVVXLNSA-N 1 2 244.294 2.753 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000338880208 386166913 /nfs/dbraw/zinc/16/69/13/386166913.db2.gz LJUBDUVPZFIFDE-TUAOUCFPSA-N 1 2 249.358 2.659 20 0 BFADLO CC(C)[C@H]1C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000275105721 386179236 /nfs/dbraw/zinc/17/92/36/386179236.db2.gz KPYJXZSHINORQP-MNOVXSKESA-N 1 2 243.310 2.565 20 0 BFADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000275105719 386180952 /nfs/dbraw/zinc/18/09/52/386180952.db2.gz KPYJXZSHINORQP-GHMZBOCLSA-N 1 2 243.310 2.565 20 0 BFADLO CC(C)=CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287455759 386127118 /nfs/dbraw/zinc/12/71/18/386127118.db2.gz IJECOQRZDQRRFF-UHFFFAOYSA-N 1 2 233.315 2.786 20 0 BFADLO CC(C)(C)c1noc([C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000335149360 386141523 /nfs/dbraw/zinc/14/15/23/386141523.db2.gz OPLTXYPLDCLODL-SNVBAGLBSA-N 1 2 235.331 2.666 20 0 BFADLO CC(C)(C)c1noc([C@H]2CCC[N@H+]2C2CC2)n1 ZINC000335149360 386141528 /nfs/dbraw/zinc/14/15/28/386141528.db2.gz OPLTXYPLDCLODL-SNVBAGLBSA-N 1 2 235.331 2.666 20 0 BFADLO CCCC1(CNc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000347051226 386203825 /nfs/dbraw/zinc/20/38/25/386203825.db2.gz IPQDSTDYWGENEF-UHFFFAOYSA-N 1 2 244.342 2.680 20 0 BFADLO CC(C)[N@H+](CCc1cscn1)CC(F)F ZINC000296903288 386210468 /nfs/dbraw/zinc/21/04/68/386210468.db2.gz ZFUMQLYSETYQMB-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO CC(C)[N@@H+](CCc1cscn1)CC(F)F ZINC000296903288 386210478 /nfs/dbraw/zinc/21/04/78/386210478.db2.gz ZFUMQLYSETYQMB-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO CC[N@H+](CCCO)c1cccc(C)c1C ZINC000264253152 386219531 /nfs/dbraw/zinc/21/95/31/386219531.db2.gz YGFUPVFDTIOSAG-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CC[N@@H+](CCCO)c1cccc(C)c1C ZINC000264253152 386219534 /nfs/dbraw/zinc/21/95/34/386219534.db2.gz YGFUPVFDTIOSAG-UHFFFAOYSA-N 1 2 207.317 2.512 20 0 BFADLO CCC1(NC(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000297133896 386227996 /nfs/dbraw/zinc/22/79/96/386227996.db2.gz SMLXWXRGKSJMHU-UHFFFAOYSA-N 1 2 233.315 2.763 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2ccc(CC)cn2)CCO1 ZINC000339058987 386229459 /nfs/dbraw/zinc/22/94/59/386229459.db2.gz MBVDAGPZQXQWPK-OAHLLOKOSA-N 1 2 248.370 2.645 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2ccc(CC)cn2)CCO1 ZINC000339058987 386229462 /nfs/dbraw/zinc/22/94/62/386229462.db2.gz MBVDAGPZQXQWPK-OAHLLOKOSA-N 1 2 248.370 2.645 20 0 BFADLO c1csc(C[N@@H+]2CCCc3occc3C2)n1 ZINC000288790418 386231186 /nfs/dbraw/zinc/23/11/86/386231186.db2.gz LBMNTYFAHLQLIF-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO c1csc(C[N@H+]2CCCc3occc3C2)n1 ZINC000288790418 386231190 /nfs/dbraw/zinc/23/11/90/386231190.db2.gz LBMNTYFAHLQLIF-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO Cc1csc(C[N@@H+](C)Cc2ccoc2)n1 ZINC000336645546 386250929 /nfs/dbraw/zinc/25/09/29/386250929.db2.gz IDBAVVZXNLOJDT-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1csc(C[N@H+](C)Cc2ccoc2)n1 ZINC000336645546 386250930 /nfs/dbraw/zinc/25/09/30/386250930.db2.gz IDBAVVZXNLOJDT-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000289371814 386290975 /nfs/dbraw/zinc/29/09/75/386290975.db2.gz LMRUDTMWSBPWNF-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000289371814 386290976 /nfs/dbraw/zinc/29/09/76/386290976.db2.gz LMRUDTMWSBPWNF-UHFFFAOYSA-N 1 2 243.310 2.600 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000265080785 386301985 /nfs/dbraw/zinc/30/19/85/386301985.db2.gz XNZNHQCRODOKOI-NWDGAFQWSA-N 1 2 249.358 2.552 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H](F)C2)nc(C2CC2)[nH+]1 ZINC000645279140 386304572 /nfs/dbraw/zinc/30/45/72/386304572.db2.gz QQBXOFGLWJQHOC-NEPJUHHUSA-N 1 2 249.333 2.777 20 0 BFADLO C[C@]12CC[N@H+](Cc3cscn3)C[C@H]1C2(F)F ZINC000298183545 386306918 /nfs/dbraw/zinc/30/69/18/386306918.db2.gz AHAYBJCQTDTSKE-ZJUUUORDSA-N 1 2 244.310 2.620 20 0 BFADLO C[C@]12CC[N@@H+](Cc3cscn3)C[C@H]1C2(F)F ZINC000298183545 386306923 /nfs/dbraw/zinc/30/69/23/386306923.db2.gz AHAYBJCQTDTSKE-ZJUUUORDSA-N 1 2 244.310 2.620 20 0 BFADLO CN(c1[nH+]ccc2ccc(F)cc21)[C@@H]1CCOC1 ZINC000334483108 386312698 /nfs/dbraw/zinc/31/26/98/386312698.db2.gz XSYFNUPIALCYJD-GFCCVEGCSA-N 1 2 246.285 2.599 20 0 BFADLO CS[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336210149 386318649 /nfs/dbraw/zinc/31/86/49/386318649.db2.gz MBXNHTSYNCNZSV-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO CS[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336210149 386318665 /nfs/dbraw/zinc/31/86/65/386318665.db2.gz MBXNHTSYNCNZSV-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO CC(C)[C@H](NC(=O)c1ccccc1)c1[nH]cc[nH+]1 ZINC000276585239 386349574 /nfs/dbraw/zinc/34/95/74/386349574.db2.gz JYLDUAQHLQRFNL-LBPRGKRZSA-N 1 2 243.310 2.537 20 0 BFADLO CC[C@@H](C)CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276619542 386354215 /nfs/dbraw/zinc/35/42/15/386354215.db2.gz NNYLICPDPYHVMN-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)[C@@H](NC(=O)CC1CCCC1)c1[nH]cc[nH+]1 ZINC000276657530 386360747 /nfs/dbraw/zinc/36/07/47/386360747.db2.gz SRTPXFQKGKJVGF-CYBMUJFWSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCc2nc[nH]c2C1 ZINC000647933463 386363571 /nfs/dbraw/zinc/36/35/71/386363571.db2.gz OROWCALAQUGLBP-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+]1CCc2nc[nH]c2C1 ZINC000647933463 386363576 /nfs/dbraw/zinc/36/35/76/386363576.db2.gz OROWCALAQUGLBP-SNVBAGLBSA-N 1 2 245.301 2.668 20 0 BFADLO CC(C)c1nc(N2CCCC[C@@H]2C)cc[nH+]1 ZINC000112963534 386381588 /nfs/dbraw/zinc/38/15/88/386381588.db2.gz MEKKMSRWHWUTPA-NSHDSACASA-N 1 2 219.332 2.979 20 0 BFADLO c1cc2[nH+]ccc(N[C@@H]3CC[C@@H]4C[C@@H]4C3)c2cn1 ZINC000645396843 386331260 /nfs/dbraw/zinc/33/12/60/386331260.db2.gz FAJGFVVOUGFDMJ-IJLUTSLNSA-N 1 2 239.322 2.652 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ocnc1C1CC1 ZINC000289657304 386337332 /nfs/dbraw/zinc/33/73/32/386337332.db2.gz HYKLUAJKFQURLY-UHFFFAOYSA-N 1 2 243.266 2.508 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2[nH]ncc2C)s1 ZINC000290455824 386440657 /nfs/dbraw/zinc/44/06/57/386440657.db2.gz OYSDKLRAKAPDBQ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2[nH]ncc2C)s1 ZINC000290455824 386440663 /nfs/dbraw/zinc/44/06/63/386440663.db2.gz OYSDKLRAKAPDBQ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2n[nH]cc2C)s1 ZINC000290455824 386440671 /nfs/dbraw/zinc/44/06/71/386440671.db2.gz OYSDKLRAKAPDBQ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2n[nH]cc2C)s1 ZINC000290455824 386440677 /nfs/dbraw/zinc/44/06/77/386440677.db2.gz OYSDKLRAKAPDBQ-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1ccsc1C[N@@H+](C)Cc1ncc(C)cn1 ZINC000336703780 386390928 /nfs/dbraw/zinc/39/09/28/386390928.db2.gz NDCFEWVWDFXUAM-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccsc1C[N@H+](C)Cc1ncc(C)cn1 ZINC000336703780 386390930 /nfs/dbraw/zinc/39/09/30/386390930.db2.gz NDCFEWVWDFXUAM-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CC[C@@H](COC)Nc1ccc(SC)c[nH+]1 ZINC000134310504 386405353 /nfs/dbraw/zinc/40/53/53/386405353.db2.gz GPMQUFRBXHOEED-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CC[C@H](CSc1[nH+]cc2ccccn21)OC ZINC000416896579 386410619 /nfs/dbraw/zinc/41/06/19/386410619.db2.gz WBSZQYJQCRIAJJ-LLVKDONJSA-N 1 2 236.340 2.851 20 0 BFADLO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccco2)[nH]1 ZINC000277168504 386413195 /nfs/dbraw/zinc/41/31/95/386413195.db2.gz HMOWIIRPYYLSSX-UWVGGRQHSA-N 1 2 248.330 2.762 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)oc1C ZINC000299130044 386417809 /nfs/dbraw/zinc/41/78/09/386417809.db2.gz LEXJAPVFMDJOSD-ZDUSSCGKSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)oc1C ZINC000299130044 386417811 /nfs/dbraw/zinc/41/78/11/386417811.db2.gz LEXJAPVFMDJOSD-ZDUSSCGKSA-N 1 2 245.326 2.957 20 0 BFADLO CCOc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000266382856 386431968 /nfs/dbraw/zinc/43/19/68/386431968.db2.gz NEHUYTJPDCEXPP-UHFFFAOYSA-N 1 2 243.310 2.796 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccon1 ZINC000340354214 386466586 /nfs/dbraw/zinc/46/65/86/386466586.db2.gz KICXCNYGFVEUIL-DTWKUNHWSA-N 1 2 235.262 2.621 20 0 BFADLO C[C@@H]([NH+]=c1[nH]c2ccc(F)cc2n1C)C1CCC1 ZINC000644863931 386467283 /nfs/dbraw/zinc/46/72/83/386467283.db2.gz INKRCPREIKNIHR-SECBINFHSA-N 1 2 247.317 2.735 20 0 BFADLO CC[C@@H](CNc1nc(C)[nH+]c2c1CCCC2)OC ZINC000290759194 386473866 /nfs/dbraw/zinc/47/38/66/386473866.db2.gz UDUUAJYYULNFSB-NSHDSACASA-N 1 2 249.358 2.501 20 0 BFADLO Cc1noc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000266876608 386475379 /nfs/dbraw/zinc/47/53/79/386475379.db2.gz UCYUFSLPLSLNJL-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1noc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000266876608 386475386 /nfs/dbraw/zinc/47/53/86/386475386.db2.gz UCYUFSLPLSLNJL-QMTHXVAHSA-N 1 2 243.310 2.571 20 0 BFADLO Cn1ccnc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000339566530 386477508 /nfs/dbraw/zinc/47/75/08/386477508.db2.gz YJQFUISISOTUHL-UHFFFAOYSA-N 1 2 242.326 2.695 20 0 BFADLO CCCc1nc(C[NH+]2CCC(C3CC3)CC2)no1 ZINC000366428425 386485111 /nfs/dbraw/zinc/48/51/11/386485111.db2.gz HSOPUYYMCVCCGW-UHFFFAOYSA-N 1 2 249.358 2.644 20 0 BFADLO Cc1cn2cc(NC(=O)[C@@H](C)C3CC3)ccc2[nH+]1 ZINC000267055830 386490780 /nfs/dbraw/zinc/49/07/80/386490780.db2.gz KWYIHICGIPLDKO-JTQLQIEISA-N 1 2 243.310 2.627 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2nccc(C)n2)cc1 ZINC000339654595 386505613 /nfs/dbraw/zinc/50/56/13/386505613.db2.gz XUEYAQAJCGRZGO-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2nccc(C)n2)cc1 ZINC000339654595 386505619 /nfs/dbraw/zinc/50/56/19/386505619.db2.gz XUEYAQAJCGRZGO-UHFFFAOYSA-N 1 2 241.338 2.725 20 0 BFADLO CC(C)c1nnc(C[NH2+]Cc2ccco2)s1 ZINC000336733244 386507971 /nfs/dbraw/zinc/50/79/71/386507971.db2.gz GKWKPUNYJJTOTF-UHFFFAOYSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C)C2CCC2)[nH+]1 ZINC000519648928 386516140 /nfs/dbraw/zinc/51/61/40/386516140.db2.gz XPWPNMURFKFWQF-JTQLQIEISA-N 1 2 249.358 2.506 20 0 BFADLO CCC1(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000267279318 386522975 /nfs/dbraw/zinc/52/29/75/386522975.db2.gz VKQGMZBQDMHEJW-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO CC(C)[C@@H]([NH2+]C[C@H]1CCCOC1)C(F)(F)F ZINC000336727561 386464793 /nfs/dbraw/zinc/46/47/93/386464793.db2.gz CADMMWKVUJRMHB-NXEZZACHSA-N 1 2 239.281 2.590 20 0 BFADLO CCc1ccc([C@H](C)[NH2+][C@@H](CC)C(=O)OC)cc1 ZINC000097992694 386575440 /nfs/dbraw/zinc/57/54/40/386575440.db2.gz YKSZDCQUFCUYBT-FZMZJTMJSA-N 1 2 249.354 2.851 20 0 BFADLO CC[C@H]1CCN(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000337022306 386583788 /nfs/dbraw/zinc/58/37/88/386583788.db2.gz SOLAGZYOXMVQKU-JTQLQIEISA-N 1 2 247.317 2.949 20 0 BFADLO Cc1cnc(NCCCc2cccc(C)[nH+]2)s1 ZINC000343241158 386535435 /nfs/dbraw/zinc/53/54/35/386535435.db2.gz XRGLOLIBPCFXOX-UHFFFAOYSA-N 1 2 247.367 2.622 20 0 BFADLO Cc1cn[nH]c1C[N@@H+]1CCc2cccc(C)c2C1 ZINC000291464925 386549835 /nfs/dbraw/zinc/54/98/35/386549835.db2.gz DKHSXZICWBHYSD-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cn[nH]c1C[N@H+]1CCc2cccc(C)c2C1 ZINC000291464925 386549840 /nfs/dbraw/zinc/54/98/40/386549840.db2.gz DKHSXZICWBHYSD-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO CC(=O)CSCCCc1[nH]c2ccccc2[nH+]1 ZINC000519764713 386550956 /nfs/dbraw/zinc/55/09/56/386550956.db2.gz XDKFGSXVQSMZFJ-UHFFFAOYSA-N 1 2 248.351 2.818 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000335406792 386565105 /nfs/dbraw/zinc/56/51/05/386565105.db2.gz CLVMYAZVRPWFJL-LBPRGKRZSA-N 1 2 245.301 2.621 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000335406792 386565112 /nfs/dbraw/zinc/56/51/12/386565112.db2.gz CLVMYAZVRPWFJL-LBPRGKRZSA-N 1 2 245.301 2.621 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)C1CCCCC1 ZINC000519851433 386570576 /nfs/dbraw/zinc/57/05/76/386570576.db2.gz RDCJRDUXBMJTBW-UHFFFAOYSA-N 1 2 219.332 2.862 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)OCC ZINC000097988017 386572413 /nfs/dbraw/zinc/57/24/13/386572413.db2.gz HSCNLHHYSYYMOQ-CQSZACIVSA-N 1 2 249.354 2.816 20 0 BFADLO FC(F)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000644960621 386640044 /nfs/dbraw/zinc/64/00/44/386640044.db2.gz KWNDXOCCBBHXSJ-LBPRGKRZSA-N 1 2 245.313 2.533 20 0 BFADLO FC(F)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000644960621 386640048 /nfs/dbraw/zinc/64/00/48/386640048.db2.gz KWNDXOCCBBHXSJ-LBPRGKRZSA-N 1 2 245.313 2.533 20 0 BFADLO c1[nH+]c2c(cc1N[C@H]1CCSC1)CCCC2 ZINC000336646775 386642944 /nfs/dbraw/zinc/64/29/44/386642944.db2.gz BJQNDEKZOMNPFO-NSHDSACASA-N 1 2 234.368 2.878 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CCn1cccc1 ZINC000644972550 386646680 /nfs/dbraw/zinc/64/66/80/386646680.db2.gz MRYIQSPACFIWFX-UHFFFAOYSA-N 1 2 243.310 2.529 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1C[C@H]1C ZINC000335515587 386651628 /nfs/dbraw/zinc/65/16/28/386651628.db2.gz OOJXCDSODVUOAL-KOLCDFICSA-N 1 2 218.300 2.683 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1C[C@@H]1C ZINC000335515589 386651956 /nfs/dbraw/zinc/65/19/56/386651956.db2.gz OOJXCDSODVUOAL-ONGXEEELSA-N 1 2 218.300 2.683 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1C[C@H]1C ZINC000335515588 386652027 /nfs/dbraw/zinc/65/20/27/386652027.db2.gz OOJXCDSODVUOAL-MWLCHTKSSA-N 1 2 218.300 2.683 20 0 BFADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)[C@H]1C ZINC000267933616 386599978 /nfs/dbraw/zinc/59/99/78/386599978.db2.gz FXSIOQWHDWBNKS-MNOVXSKESA-N 1 2 227.311 2.865 20 0 BFADLO CC(C)n1nccc1C[N@H+](C)Cc1ccoc1 ZINC000337123503 386612574 /nfs/dbraw/zinc/61/25/74/386612574.db2.gz CFDQHJZDVDAFNT-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccoc1 ZINC000337123503 386612576 /nfs/dbraw/zinc/61/25/76/386612576.db2.gz CFDQHJZDVDAFNT-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO COC[C@H](CC(C)C)Nc1ccc[nH+]c1C ZINC000336759434 386665024 /nfs/dbraw/zinc/66/50/24/386665024.db2.gz IYGQBSQNRXZJJC-LBPRGKRZSA-N 1 2 222.332 2.863 20 0 BFADLO CCCCN(c1cc[nH+]c(C)n1)C1CC1 ZINC000268597981 386667825 /nfs/dbraw/zinc/66/78/25/386667825.db2.gz OOBISLHERGHNIE-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCS1 ZINC000335526528 386670663 /nfs/dbraw/zinc/67/06/63/386670663.db2.gz BQKMKSLIOQYYGG-JTQLQIEISA-N 1 2 236.340 2.533 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000301699384 386671801 /nfs/dbraw/zinc/67/18/01/386671801.db2.gz RPVJCCQWPOMPKW-GZMMTYOYSA-N 1 2 219.332 2.637 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000335527893 386673510 /nfs/dbraw/zinc/67/35/10/386673510.db2.gz LWDAUUISFVRCSI-APPZFPTMSA-N 1 2 240.253 2.538 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2ccncc2F)C1 ZINC000648059065 386675726 /nfs/dbraw/zinc/67/57/26/386675726.db2.gz TWVQFWVKTBQVOU-UHFFFAOYSA-N 1 2 244.260 2.698 20 0 BFADLO CC[C@H]([NH2+]C1CCSCC1)C(F)(F)F ZINC000336648126 386680124 /nfs/dbraw/zinc/68/01/24/386680124.db2.gz GHKAAOUKWWJBON-QMMMGPOBSA-N 1 2 227.295 2.813 20 0 BFADLO Cc1cnccc1SCCCn1cc[nH+]c1 ZINC000292690632 386710485 /nfs/dbraw/zinc/71/04/85/386710485.db2.gz FZZLCPJNFIJUSI-UHFFFAOYSA-N 1 2 233.340 2.769 20 0 BFADLO CC(C)c1nc(C[N@H+](C)[C@H](C)C2CCC2)no1 ZINC000357028665 386697952 /nfs/dbraw/zinc/69/79/52/386697952.db2.gz BPTBIYBHEBVZLB-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)C2CCC2)no1 ZINC000357028665 386697961 /nfs/dbraw/zinc/69/79/61/386697961.db2.gz BPTBIYBHEBVZLB-SNVBAGLBSA-N 1 2 237.347 2.813 20 0 BFADLO COc1cc(C[NH2+]C2(C(F)F)CC2)ccc1C ZINC000337281951 386699381 /nfs/dbraw/zinc/69/93/81/386699381.db2.gz JMWLXCDYLLRVQP-UHFFFAOYSA-N 1 2 241.281 2.891 20 0 BFADLO CCC(F)(F)C[N@H+](C)CCc1ccccn1 ZINC000623173665 386705838 /nfs/dbraw/zinc/70/58/38/386705838.db2.gz KNUHEGLXMQGSIP-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC(F)(F)C[N@@H+](C)CCc1ccccn1 ZINC000623173665 386705842 /nfs/dbraw/zinc/70/58/42/386705842.db2.gz KNUHEGLXMQGSIP-UHFFFAOYSA-N 1 2 228.286 2.601 20 0 BFADLO CCC[C@@H]([NH2+]Cc1ncccn1)c1ccccn1 ZINC000520611228 386707625 /nfs/dbraw/zinc/70/76/25/386707625.db2.gz IUAALPMWXHCTPZ-GFCCVEGCSA-N 1 2 242.326 2.503 20 0 BFADLO CCC[C@H]([NH2+]Cc1ncccn1)c1ccccn1 ZINC000520611229 386708440 /nfs/dbraw/zinc/70/84/40/386708440.db2.gz IUAALPMWXHCTPZ-LBPRGKRZSA-N 1 2 242.326 2.503 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000357182973 386733448 /nfs/dbraw/zinc/73/34/48/386733448.db2.gz FVPMJDKTXDRHSK-YPMHNXCESA-N 1 2 246.354 2.831 20 0 BFADLO CCC[C@](C)(CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000279771129 386733913 /nfs/dbraw/zinc/73/39/13/386733913.db2.gz DWOAHNQCLPYSAI-ZDUSSCGKSA-N 1 2 237.347 2.551 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@H]2C(C)C)cc[nH+]1 ZINC000292863839 386739250 /nfs/dbraw/zinc/73/92/50/386739250.db2.gz XCRPXBDYQQOPLF-GFCCVEGCSA-N 1 2 219.332 2.656 20 0 BFADLO c1nc(C[N@H+](Cc2ccccc2)C2CC2)co1 ZINC000191924836 386715924 /nfs/dbraw/zinc/71/59/24/386715924.db2.gz GSOASLRJROLPJG-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO c1nc(C[N@@H+](Cc2ccccc2)C2CC2)co1 ZINC000191924836 386715929 /nfs/dbraw/zinc/71/59/29/386715929.db2.gz GSOASLRJROLPJG-UHFFFAOYSA-N 1 2 228.295 2.839 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000334140554 386740220 /nfs/dbraw/zinc/74/02/20/386740220.db2.gz HEYSUYPFLULWDP-DOOHLRMFSA-N 1 2 245.370 2.729 20 0 BFADLO CCC[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357133041 386724085 /nfs/dbraw/zinc/72/40/85/386724085.db2.gz MQUCOLOFORWCGD-WDEREUQCSA-N 1 2 235.331 2.509 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000334140554 386740227 /nfs/dbraw/zinc/74/02/27/386740227.db2.gz HEYSUYPFLULWDP-DOOHLRMFSA-N 1 2 245.370 2.729 20 0 BFADLO Cc1nsc(C)c1C(=O)Nc1cc[nH+]cc1C ZINC000292794565 386726574 /nfs/dbraw/zinc/72/65/74/386726574.db2.gz MVKPPRJDHPYFHE-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO CCOCc1ccccc1C[NH2+]Cc1cocn1 ZINC000192282898 386751984 /nfs/dbraw/zinc/75/19/84/386751984.db2.gz JTQHUZJQWMZEKG-UHFFFAOYSA-N 1 2 246.310 2.501 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CC[C@@](C)(F)C1 ZINC000334154782 386756068 /nfs/dbraw/zinc/75/60/68/386756068.db2.gz SMJNKMOZSAMFFY-CYBMUJFWSA-N 1 2 233.290 2.512 20 0 BFADLO CCc1cccc(C[NH2+][C@@H](C(=O)OC)C(C)C)c1 ZINC000527049740 386760946 /nfs/dbraw/zinc/76/09/46/386760946.db2.gz ANVDEMIEOPEKLG-CQSZACIVSA-N 1 2 249.354 2.536 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)c1ccoc1Cl ZINC000192397176 386763051 /nfs/dbraw/zinc/76/30/51/386763051.db2.gz XXKJEFSRLFGTME-UHFFFAOYSA-N 1 2 236.658 2.889 20 0 BFADLO O[C@@H]1C[N@@H+]([C@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128458 386741619 /nfs/dbraw/zinc/74/16/19/386741619.db2.gz WVPVTEIEPVGLIH-RYUDHWBXSA-N 1 2 245.313 2.577 20 0 BFADLO O[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)CC(F)(F)C1 ZINC000645128458 386741627 /nfs/dbraw/zinc/74/16/27/386741627.db2.gz WVPVTEIEPVGLIH-RYUDHWBXSA-N 1 2 245.313 2.577 20 0 BFADLO CCn1cc[nH+]c1[C@@H]1CCCCN1CC(F)F ZINC000645134222 386742103 /nfs/dbraw/zinc/74/21/03/386742103.db2.gz OXVBXHKPYSWNCW-JTQLQIEISA-N 1 2 243.301 2.695 20 0 BFADLO CCc1nocc1C[NH2+]Cc1cc(C(C)C)no1 ZINC000645155793 386796726 /nfs/dbraw/zinc/79/67/26/386796726.db2.gz PRYPKNDKFMMQRT-UHFFFAOYSA-N 1 2 249.314 2.638 20 0 BFADLO CC(C)(C)c1ccncc1C[NH2+]Cc1cocn1 ZINC000414504265 386774220 /nfs/dbraw/zinc/77/42/20/386774220.db2.gz XVOVLHPPOYFZPJ-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1ccccc1CC ZINC000527074971 386776331 /nfs/dbraw/zinc/77/63/31/386776331.db2.gz NQXVNQBYIBQVCY-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1ccccc1CC ZINC000527074971 386776333 /nfs/dbraw/zinc/77/63/33/386776333.db2.gz NQXVNQBYIBQVCY-UHFFFAOYSA-N 1 2 249.354 2.634 20 0 BFADLO CC[C@H](CC1CCCC1)c1nc(C[NH2+]C)no1 ZINC000414505488 386785409 /nfs/dbraw/zinc/78/54/09/386785409.db2.gz UYOKNMPDYKLKHB-LLVKDONJSA-N 1 2 237.347 2.863 20 0 BFADLO CC[C@@H](NC(=O)[C@@H]1CC=CC[C@H]1C)c1[nH]cc[nH+]1 ZINC000330608733 386786179 /nfs/dbraw/zinc/78/61/79/386786179.db2.gz QTCRJBZPOYZHQD-IJLUTSLNSA-N 1 2 247.342 2.579 20 0 BFADLO Cc1cc(CN(C)c2cc[nH+]c(C(C)C)n2)no1 ZINC000301207027 386823229 /nfs/dbraw/zinc/82/32/29/386823229.db2.gz TZEBOSFVZUEXAD-UHFFFAOYSA-N 1 2 246.314 2.533 20 0 BFADLO CN(CCC1CC1)c1cc[nH+]c2ccncc21 ZINC000269474837 386800037 /nfs/dbraw/zinc/80/00/37/386800037.db2.gz JYJDYRLUCKGHGR-UHFFFAOYSA-N 1 2 227.311 2.866 20 0 BFADLO F[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000340985241 386811855 /nfs/dbraw/zinc/81/18/55/386811855.db2.gz YLGWEHLMNHRBOG-NEPJUHHUSA-N 1 2 230.286 2.959 20 0 BFADLO CC(C)c1cc(N[C@H](C)CF)nc(C(C)C)[nH+]1 ZINC000340998375 386814569 /nfs/dbraw/zinc/81/45/69/386814569.db2.gz RZSKVBSTPIKOCI-SNVBAGLBSA-N 1 2 239.338 2.915 20 0 BFADLO COC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000293437037 386815422 /nfs/dbraw/zinc/81/54/22/386815422.db2.gz BRMYNURKSZKACF-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1F ZINC000293437037 386815428 /nfs/dbraw/zinc/81/54/28/386815428.db2.gz BRMYNURKSZKACF-LLVKDONJSA-N 1 2 243.709 2.700 20 0 BFADLO CCc1ccccc1C[NH2+][C@H](C)c1csnn1 ZINC000398450247 386826294 /nfs/dbraw/zinc/82/62/94/386826294.db2.gz DPZXAYBYEOUPTP-SNVBAGLBSA-N 1 2 247.367 2.951 20 0 BFADLO C[N@H+](CCF)Cc1cccc(Cl)c1F ZINC000293513284 386828185 /nfs/dbraw/zinc/82/81/85/386828185.db2.gz ALJUEVWRKFYTMG-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO C[N@@H+](CCF)Cc1cccc(Cl)c1F ZINC000293513284 386828193 /nfs/dbraw/zinc/82/81/93/386828193.db2.gz ALJUEVWRKFYTMG-UHFFFAOYSA-N 1 2 219.662 2.880 20 0 BFADLO CC(C)c1nc(NCC2(O)CCCCC2)cc[nH+]1 ZINC000301247968 386828125 /nfs/dbraw/zinc/82/81/25/386828125.db2.gz OTCSAFRDGYHIQZ-UHFFFAOYSA-N 1 2 249.358 2.707 20 0 BFADLO Cc1nocc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000293539310 386832082 /nfs/dbraw/zinc/83/20/82/386832082.db2.gz FSZXLBJNMSUSIF-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nocc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000293539310 386832090 /nfs/dbraw/zinc/83/20/90/386832090.db2.gz FSZXLBJNMSUSIF-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CCN(CCC(F)(F)F)c1cc(C)[nH+]cn1 ZINC000301294972 386833023 /nfs/dbraw/zinc/83/30/23/386833023.db2.gz VHUICTRHVWKXGR-UHFFFAOYSA-N 1 2 233.237 2.564 20 0 BFADLO Cc1nocc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000293549135 386835603 /nfs/dbraw/zinc/83/56/03/386835603.db2.gz GWASXWDHCSAVPZ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nocc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000293549135 386835604 /nfs/dbraw/zinc/83/56/04/386835604.db2.gz GWASXWDHCSAVPZ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCCC(O)(CCC)CNc1cc(C)[nH+]cn1 ZINC000301347256 386837586 /nfs/dbraw/zinc/83/75/86/386837586.db2.gz HLKDEYMUASZTLE-UHFFFAOYSA-N 1 2 237.347 2.528 20 0 BFADLO Cc1ccc(NC(=O)C(C)(C)C(F)F)c(C)[nH+]1 ZINC000334782131 386838104 /nfs/dbraw/zinc/83/81/04/386838104.db2.gz DNWNJPOBTHIZQL-UHFFFAOYSA-N 1 2 242.269 2.928 20 0 BFADLO Cc1c[nH+]c(CNCc2ccccc2Cl)n1C ZINC000341115691 386840931 /nfs/dbraw/zinc/84/09/31/386840931.db2.gz HKWNPUJYLRUHJF-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccccc2Cl)n1C ZINC000341115691 386840936 /nfs/dbraw/zinc/84/09/36/386840936.db2.gz HKWNPUJYLRUHJF-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO CCO[C@@H](CCNc1cc(C)[nH+]cn1)C(C)C ZINC000301430776 386843602 /nfs/dbraw/zinc/84/36/02/386843602.db2.gz JOCBPTNXSNPGCU-LBPRGKRZSA-N 1 2 237.347 2.648 20 0 BFADLO CCSCC[C@@H](C)N(C)c1cc(C)[nH+]cn1 ZINC000301444445 386844675 /nfs/dbraw/zinc/84/46/75/386844675.db2.gz QGDOITFWZHQMFN-LLVKDONJSA-N 1 2 239.388 2.753 20 0 BFADLO c1ccc(N2CCC3(CCCC3)C2)[nH+]c1 ZINC000301457573 386844865 /nfs/dbraw/zinc/84/48/65/386844865.db2.gz HYKCZUVDIRNUHD-UHFFFAOYSA-N 1 2 202.301 2.852 20 0 BFADLO C[N@H+](CCF)Cc1ccccc1OC(F)F ZINC000293600352 386845719 /nfs/dbraw/zinc/84/57/19/386845719.db2.gz JCVGIVASUVDYMI-UHFFFAOYSA-N 1 2 233.233 2.689 20 0 BFADLO C[N@@H+](CCF)Cc1ccccc1OC(F)F ZINC000293600352 386845727 /nfs/dbraw/zinc/84/57/27/386845727.db2.gz JCVGIVASUVDYMI-UHFFFAOYSA-N 1 2 233.233 2.689 20 0 BFADLO CC[C@H]1CCCC[C@H]1c1noc(C[NH+](C)C)n1 ZINC000341163591 386849574 /nfs/dbraw/zinc/84/95/74/386849574.db2.gz DGKHOWAKLRGCBV-WDEREUQCSA-N 1 2 237.347 2.815 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC000341305176 386891150 /nfs/dbraw/zinc/89/11/50/386891150.db2.gz FWFBZKNVPABIEI-QMTHXVAHSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2nccc(C)n2)cc1 ZINC000341216125 386854409 /nfs/dbraw/zinc/85/44/09/386854409.db2.gz FNKNZXTYSXZXMH-ZDUSSCGKSA-N 1 2 241.338 2.944 20 0 BFADLO Fc1cccc2c1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000334791127 386855626 /nfs/dbraw/zinc/85/56/26/386855626.db2.gz VYQFZPKSBHZTOP-LBPRGKRZSA-N 1 2 235.302 2.710 20 0 BFADLO Fc1cccc2c1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000334791127 386855627 /nfs/dbraw/zinc/85/56/27/386855627.db2.gz VYQFZPKSBHZTOP-LBPRGKRZSA-N 1 2 235.302 2.710 20 0 BFADLO CC(C)Cn1cc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000341186032 386859670 /nfs/dbraw/zinc/85/96/70/386859670.db2.gz OBTDINSACMRCTP-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO CC(C)Cn1cc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000341186032 386859673 /nfs/dbraw/zinc/85/96/73/386859673.db2.gz OBTDINSACMRCTP-UHFFFAOYSA-N 1 2 247.342 2.764 20 0 BFADLO Cc1c(NCc2[nH]cc[nH+]2)cnn1CCC(C)C ZINC000341253038 386867920 /nfs/dbraw/zinc/86/79/20/386867920.db2.gz ASHHAETYSHXOFZ-UHFFFAOYSA-N 1 2 247.346 2.573 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000341263566 386870275 /nfs/dbraw/zinc/87/02/75/386870275.db2.gz DFIGGAIRANZXLI-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000341263566 386870278 /nfs/dbraw/zinc/87/02/78/386870278.db2.gz DFIGGAIRANZXLI-VIFPVBQESA-N 1 2 249.289 2.710 20 0 BFADLO CCOCCC1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000301721287 386873718 /nfs/dbraw/zinc/87/37/18/386873718.db2.gz QJQLETFRXAQGFO-UHFFFAOYSA-N 1 2 249.358 2.794 20 0 BFADLO CC[C@@H](NC(=O)C1=CCCCCC1)c1[nH]cc[nH+]1 ZINC000331606649 386874162 /nfs/dbraw/zinc/87/41/62/386874162.db2.gz VIQNXTBVJQSBLD-GFCCVEGCSA-N 1 2 247.342 2.868 20 0 BFADLO C[C@H](CC1CCCC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000358042208 386883178 /nfs/dbraw/zinc/88/31/78/386883178.db2.gz YQXQIYRHQFIPKH-LLVKDONJSA-N 1 2 249.358 2.585 20 0 BFADLO C[C@@H](C[C@H](O)c1ccco1)Nc1cccc[nH+]1 ZINC000301908535 386889356 /nfs/dbraw/zinc/88/93/56/386889356.db2.gz RJYZCZNBFUKESV-QWRGUYRKSA-N 1 2 232.283 2.599 20 0 BFADLO Cc1cc(NC[C@@H]2CC=CCC2)nc(C2CC2)[nH+]1 ZINC000341508645 386915115 /nfs/dbraw/zinc/91/51/15/386915115.db2.gz WIKFSQKPWOOSCR-GFCCVEGCSA-N 1 2 243.354 2.853 20 0 BFADLO CCc1cc(N2[C@H](C)CC[C@@H]2C)nc(C)[nH+]1 ZINC000302098619 386903037 /nfs/dbraw/zinc/90/30/37/386903037.db2.gz PAKGZPZGNPFKJI-AOOOYVTPSA-N 1 2 219.332 2.725 20 0 BFADLO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)C1CCCCC1 ZINC000330887158 386907886 /nfs/dbraw/zinc/90/78/86/386907886.db2.gz FKWXTSCIAVPLJO-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)C1CCCCC1 ZINC000330887158 386907889 /nfs/dbraw/zinc/90/78/89/386907889.db2.gz FKWXTSCIAVPLJO-LLVKDONJSA-N 1 2 249.358 2.632 20 0 BFADLO COc1cc(C)[nH+]c(CNc2cncc(F)c2)c1 ZINC000341423950 386910067 /nfs/dbraw/zinc/91/00/67/386910067.db2.gz MYTHNIFLRGCNGH-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CC(C)c1nc(N[C@H]2CCC[C@H]2CCO)cc[nH+]1 ZINC000302448933 386922891 /nfs/dbraw/zinc/92/28/91/386922891.db2.gz OSKVYNJRRAVZGI-RYUDHWBXSA-N 1 2 249.358 2.563 20 0 BFADLO Cc1occc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334867268 386926053 /nfs/dbraw/zinc/92/60/53/386926053.db2.gz HAFLWTHGSLJXKI-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1occc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000334867268 386926058 /nfs/dbraw/zinc/92/60/58/386926058.db2.gz HAFLWTHGSLJXKI-LBPRGKRZSA-N 1 2 231.299 2.648 20 0 BFADLO CO[C@@H]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000302743337 386933326 /nfs/dbraw/zinc/93/33/26/386933326.db2.gz DKONLKKLNMPKLG-WDEREUQCSA-N 1 2 235.331 2.579 20 0 BFADLO CO[C@H]1CC[C@H](Nc2cc[nH+]c(C(C)C)n2)C1 ZINC000302743336 386934219 /nfs/dbraw/zinc/93/42/19/386934219.db2.gz DKONLKKLNMPKLG-QWRGUYRKSA-N 1 2 235.331 2.579 20 0 BFADLO Cc1ccnc([C@@H](Nc2cccc[nH+]2)C2CC2)n1 ZINC000302837272 386938336 /nfs/dbraw/zinc/93/83/36/386938336.db2.gz XJHIOCURGOZOJA-ZDUSSCGKSA-N 1 2 240.310 2.743 20 0 BFADLO CC(C)=CCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302830011 386939817 /nfs/dbraw/zinc/93/98/17/386939817.db2.gz KETGPFXRRHCZTG-UHFFFAOYSA-N 1 2 246.358 2.845 20 0 BFADLO CC(C)=CCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302830011 386939821 /nfs/dbraw/zinc/93/98/21/386939821.db2.gz KETGPFXRRHCZTG-UHFFFAOYSA-N 1 2 246.358 2.845 20 0 BFADLO CC[C@H](NC(=O)C[C@@H]1CC[C@H](C)C1)c1[nH]cc[nH+]1 ZINC000331290353 387007247 /nfs/dbraw/zinc/00/72/47/387007247.db2.gz WEARWHVPIQPECA-TUAOUCFPSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)C1CCC1 ZINC000334826429 386959284 /nfs/dbraw/zinc/95/92/84/386959284.db2.gz CTAVRMJXSOEFPT-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO CCCC1(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)CC1 ZINC000456439141 386964158 /nfs/dbraw/zinc/96/41/58/386964158.db2.gz XYFNWJDCKOFFIW-WDEREUQCSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1ccc(CCCN[C@H](C)C(F)(F)F)c[nH+]1 ZINC000425360449 386976858 /nfs/dbraw/zinc/97/68/58/386976858.db2.gz XFFZIYMFKKALOT-SNVBAGLBSA-N 1 2 246.276 2.863 20 0 BFADLO Cc1nnc(CSCc2ccc(C)[nH+]c2C)o1 ZINC000358646797 386994046 /nfs/dbraw/zinc/99/40/46/386994046.db2.gz DRPBYOGOFBAELV-UHFFFAOYSA-N 1 2 249.339 2.823 20 0 BFADLO c1coc([C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000368680505 387001947 /nfs/dbraw/zinc/00/19/47/387001947.db2.gz NDXALPDBIPWKPL-NSHDSACASA-N 1 2 214.268 2.669 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1cncn1C(C)C ZINC000425386571 387036405 /nfs/dbraw/zinc/03/64/05/387036405.db2.gz UEEHJMZIUAHQHZ-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1cncn1C(C)C ZINC000425386571 387036407 /nfs/dbraw/zinc/03/64/07/387036407.db2.gz UEEHJMZIUAHQHZ-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[C@H]1C ZINC000334957628 387038161 /nfs/dbraw/zinc/03/81/61/387038161.db2.gz ZFCWOCLXDROQAF-KCJUWKMLSA-N 1 2 233.315 2.618 20 0 BFADLO CCC(CC)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000110601760 387067001 /nfs/dbraw/zinc/06/70/01/387067001.db2.gz KEZXPAMJLCOZBT-GFCCVEGCSA-N 1 2 249.358 2.563 20 0 BFADLO c1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110110766 387059921 /nfs/dbraw/zinc/05/99/21/387059921.db2.gz KQUNQKKHAHAJES-UHFFFAOYSA-N 1 2 225.295 2.966 20 0 BFADLO CSc1ccc(N[C@@H]2CSC[C@@H]2C)[nH+]c1 ZINC000336222266 387061071 /nfs/dbraw/zinc/06/10/71/387061071.db2.gz RHWYWHPDIDTOIB-WCBMZHEXSA-N 1 2 240.397 2.967 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000336222709 387061557 /nfs/dbraw/zinc/06/15/57/387061557.db2.gz CTNNHKBAUQZOBS-JTQLQIEISA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336222709 387061563 /nfs/dbraw/zinc/06/15/63/387061563.db2.gz CTNNHKBAUQZOBS-JTQLQIEISA-N 1 2 215.218 2.509 20 0 BFADLO C[C@H](CC(C)(C)C)Nc1nc[nH+]c(N)c1Cl ZINC000395206459 387013063 /nfs/dbraw/zinc/01/30/63/387013063.db2.gz HVVCDJRBFXUHRP-SSDOTTSWSA-N 1 2 242.754 2.949 20 0 BFADLO C[C@H](CC(C)(C)C)Nc1[nH+]cnc(N)c1Cl ZINC000395206459 387013069 /nfs/dbraw/zinc/01/30/69/387013069.db2.gz HVVCDJRBFXUHRP-SSDOTTSWSA-N 1 2 242.754 2.949 20 0 BFADLO CC(C)n1c[nH+]cc1CN1CCC[C@@H]1C(F)F ZINC000425377597 387029206 /nfs/dbraw/zinc/02/92/06/387029206.db2.gz HPTNWNQTNNXVOT-LLVKDONJSA-N 1 2 243.301 2.694 20 0 BFADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccon2)C1 ZINC000334980646 387068703 /nfs/dbraw/zinc/06/87/03/387068703.db2.gz HLUVVJJZQAAFEX-SMDDNHRTSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccon2)C1 ZINC000334980646 387068705 /nfs/dbraw/zinc/06/87/05/387068705.db2.gz HLUVVJJZQAAFEX-SMDDNHRTSA-N 1 2 243.310 2.653 20 0 BFADLO CCn1c[nH+]cc1CN1CCc2cc(F)ccc21 ZINC000418046480 387074697 /nfs/dbraw/zinc/07/46/97/387074697.db2.gz QJYJGPLVNNBLFO-UHFFFAOYSA-N 1 2 245.301 2.605 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccnc2)o1 ZINC000228568715 387101691 /nfs/dbraw/zinc/10/16/91/387101691.db2.gz JBXZPVZJODNCAE-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO FC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000336279728 387111494 /nfs/dbraw/zinc/11/14/94/387111494.db2.gz PXUXZTTVVFBXKG-GFCCVEGCSA-N 1 2 243.709 2.510 20 0 BFADLO FC[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCO1 ZINC000336279728 387111496 /nfs/dbraw/zinc/11/14/96/387111496.db2.gz PXUXZTTVVFBXKG-GFCCVEGCSA-N 1 2 243.709 2.510 20 0 BFADLO C[C@H](F)CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000352372757 387115343 /nfs/dbraw/zinc/11/53/43/387115343.db2.gz WUOVHQPBRQDBCU-DTWKUNHWSA-N 1 2 209.255 2.854 20 0 BFADLO C[C@H](F)CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000352372757 387115346 /nfs/dbraw/zinc/11/53/46/387115346.db2.gz WUOVHQPBRQDBCU-DTWKUNHWSA-N 1 2 209.255 2.854 20 0 BFADLO Fc1ccccc1OCC[N@H+]1CCC=C(F)C1 ZINC000359516473 387115567 /nfs/dbraw/zinc/11/55/67/387115567.db2.gz RROXZRKAYFJMCB-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO Fc1ccccc1OCC[N@@H+]1CCC=C(F)C1 ZINC000359516473 387115571 /nfs/dbraw/zinc/11/55/71/387115571.db2.gz RROXZRKAYFJMCB-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO C(C1CC1)[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000370565228 387127849 /nfs/dbraw/zinc/12/78/49/387127849.db2.gz HVQFIFWZAKSPCJ-GFCCVEGCSA-N 1 2 247.342 2.884 20 0 BFADLO C(C1CC1)[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000370565228 387127852 /nfs/dbraw/zinc/12/78/52/387127852.db2.gz HVQFIFWZAKSPCJ-GFCCVEGCSA-N 1 2 247.342 2.884 20 0 BFADLO Cn1cc[nH+]c1CNc1ccccc1C(F)F ZINC000424560620 387142404 /nfs/dbraw/zinc/14/24/04/387142404.db2.gz AEWCLFZLVVSRBV-UHFFFAOYSA-N 1 2 237.253 2.970 20 0 BFADLO COC(=O)C(C)(C)[N@H+](C)C/C=C\c1ccccc1 ZINC000353134080 387142735 /nfs/dbraw/zinc/14/27/35/387142735.db2.gz GIGRRVSTVCPKLU-FLIBITNWSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)C(C)(C)[N@@H+](C)C/C=C\c1ccccc1 ZINC000353134080 387142739 /nfs/dbraw/zinc/14/27/39/387142739.db2.gz GIGRRVSTVCPKLU-FLIBITNWSA-N 1 2 247.338 2.583 20 0 BFADLO c1nc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cs1 ZINC000336324260 387152421 /nfs/dbraw/zinc/15/24/21/387152421.db2.gz BNWXUWVHTUWFDN-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO c1nc(C[N@H+]2CCC[C@@H]2c2cccnc2)cs1 ZINC000336324260 387152427 /nfs/dbraw/zinc/15/24/27/387152427.db2.gz BNWXUWVHTUWFDN-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186958871 387156052 /nfs/dbraw/zinc/15/60/52/387156052.db2.gz ILDBZIYAAZBZJU-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186958871 387156058 /nfs/dbraw/zinc/15/60/58/387156058.db2.gz ILDBZIYAAZBZJU-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CCC[C@@H](NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000423337762 387185136 /nfs/dbraw/zinc/18/51/36/387185136.db2.gz VNZPBZWGRXCYBF-GFCCVEGCSA-N 1 2 248.361 2.919 20 0 BFADLO CCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120129415 387186070 /nfs/dbraw/zinc/18/60/70/387186070.db2.gz OQKYUDGUEPWANE-LLVKDONJSA-N 1 2 235.331 2.654 20 0 BFADLO CCCC[C@H](CC)C[N@H+](CCO)CC(F)F ZINC000194860598 387206906 /nfs/dbraw/zinc/20/69/06/387206906.db2.gz PAYKNURLGGSYIW-NSHDSACASA-N 1 2 237.334 2.762 20 0 BFADLO CCCC[C@H](CC)C[N@@H+](CCO)CC(F)F ZINC000194860598 387206911 /nfs/dbraw/zinc/20/69/11/387206911.db2.gz PAYKNURLGGSYIW-NSHDSACASA-N 1 2 237.334 2.762 20 0 BFADLO c1csc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000371491717 387222709 /nfs/dbraw/zinc/22/27/09/387222709.db2.gz VDJYPUXNXJHFLW-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1csc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000371491717 387222714 /nfs/dbraw/zinc/22/27/14/387222714.db2.gz VDJYPUXNXJHFLW-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO Cc1cnc([C@H]([NH2+]Cc2ccno2)C2CC2)s1 ZINC000572046356 387227552 /nfs/dbraw/zinc/22/75/52/387227552.db2.gz HHGFVQODADSNNX-LLVKDONJSA-N 1 2 249.339 2.680 20 0 BFADLO Cc1cc(N[C@@]2(C)CCO[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000230099119 387231214 /nfs/dbraw/zinc/23/12/14/387231214.db2.gz PUHFSVPBYMCIDE-RISCZKNCSA-N 1 2 249.358 2.888 20 0 BFADLO CC[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097214049 387239239 /nfs/dbraw/zinc/23/92/39/387239239.db2.gz ZVQMYFFPPYTWSE-MRVPVSSYSA-N 1 2 220.316 2.991 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@H]1CC(C)(C)CO1 ZINC000639520696 387243517 /nfs/dbraw/zinc/24/35/17/387243517.db2.gz WCDTZFUGINCJJM-SNVBAGLBSA-N 1 2 235.318 2.777 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CC(C)(C)CO1 ZINC000639520696 387243521 /nfs/dbraw/zinc/24/35/21/387243521.db2.gz WCDTZFUGINCJJM-SNVBAGLBSA-N 1 2 235.318 2.777 20 0 BFADLO Cn1c[nH+]cc1CSc1ccc(F)c(F)c1 ZINC000336367660 387198337 /nfs/dbraw/zinc/19/83/37/387198337.db2.gz UFZTWPBRYWLZDW-UHFFFAOYSA-N 1 2 240.278 2.991 20 0 BFADLO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000353674213 387254906 /nfs/dbraw/zinc/25/49/06/387254906.db2.gz TWKVODGGZLWCOK-MNOVXSKESA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cnc(NCc2c[nH+]cn2C(C)C)s1 ZINC000424711721 387257260 /nfs/dbraw/zinc/25/72/60/387257260.db2.gz CRHGJWHUWXVEET-UHFFFAOYSA-N 1 2 236.344 2.841 20 0 BFADLO Cc1ccnc([C@H](C)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000353685413 387259037 /nfs/dbraw/zinc/25/90/37/387259037.db2.gz VMJDCWDPQCSPQI-MELADBBJSA-N 1 2 247.386 2.523 20 0 BFADLO Cc1ccnc([C@H](C)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000353685413 387259040 /nfs/dbraw/zinc/25/90/40/387259040.db2.gz VMJDCWDPQCSPQI-MELADBBJSA-N 1 2 247.386 2.523 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@](C)(F)C2)sc1C ZINC000336437532 387262707 /nfs/dbraw/zinc/26/27/07/387262707.db2.gz XWXDIDZXBNVABF-LLVKDONJSA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@](C)(F)C2)sc1C ZINC000336437532 387262710 /nfs/dbraw/zinc/26/27/10/387262710.db2.gz XWXDIDZXBNVABF-LLVKDONJSA-N 1 2 228.336 2.694 20 0 BFADLO CCOC[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000360832969 387355270 /nfs/dbraw/zinc/35/52/70/387355270.db2.gz GHNQRDFBPPZHET-LLVKDONJSA-N 1 2 234.343 2.797 20 0 BFADLO CSc1ccc2ncnc(-n3cc[nH+]c3)c2c1 ZINC000360892683 387361599 /nfs/dbraw/zinc/36/15/99/387361599.db2.gz UTMFQVXIOFAVEV-UHFFFAOYSA-N 1 2 242.307 2.537 20 0 BFADLO C[C@@H](CCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354343180 387363532 /nfs/dbraw/zinc/36/35/32/387363532.db2.gz KGSBOJFGADBFLM-VIFPVBQESA-N 1 2 234.274 2.557 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336554342 387377596 /nfs/dbraw/zinc/37/75/96/387377596.db2.gz ZSTYSWBJVDVEIA-CYBMUJFWSA-N 1 2 228.295 2.930 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336554342 387377600 /nfs/dbraw/zinc/37/76/00/387377600.db2.gz ZSTYSWBJVDVEIA-CYBMUJFWSA-N 1 2 228.295 2.930 20 0 BFADLO COC(=O)C1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000192446883 387321294 /nfs/dbraw/zinc/32/12/94/387321294.db2.gz UJJHMZWOZZSNPW-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1ccc(CCCNc2cccc[nH+]2)cn1 ZINC000354178858 387340371 /nfs/dbraw/zinc/34/03/71/387340371.db2.gz AGKCEQZWUFMTIO-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1ccccc1C ZINC000084102371 387435735 /nfs/dbraw/zinc/43/57/35/387435735.db2.gz SRWZXDUNOKLBJJ-OCCSQVGLSA-N 1 2 249.354 2.987 20 0 BFADLO CCC1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000084489352 387449503 /nfs/dbraw/zinc/44/95/03/387449503.db2.gz ZFOWKQFVSMVMRN-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO N#CN(Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000084647916 387455546 /nfs/dbraw/zinc/45/55/46/387455546.db2.gz PWRJBDQMJGBFEX-UHFFFAOYSA-N 1 2 248.289 2.822 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000336618024 387458841 /nfs/dbraw/zinc/45/88/41/387458841.db2.gz UKHVLKVWLYVVJL-NSHDSACASA-N 1 2 242.319 2.565 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000336618024 387458846 /nfs/dbraw/zinc/45/88/46/387458846.db2.gz UKHVLKVWLYVVJL-NSHDSACASA-N 1 2 242.319 2.565 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](F)C1 ZINC000336561804 387388600 /nfs/dbraw/zinc/38/86/00/387388600.db2.gz NFWKCCZCOLVRBQ-JTQLQIEISA-N 1 2 233.290 2.512 20 0 BFADLO COC[C@H](C)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000354570386 387398009 /nfs/dbraw/zinc/39/80/09/387398009.db2.gz QKDWFLWEVJKBCP-JTQLQIEISA-N 1 2 248.301 2.845 20 0 BFADLO COC[C@@H](C)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000354570388 387398617 /nfs/dbraw/zinc/39/86/17/387398617.db2.gz QKDWFLWEVJKBCP-SNVBAGLBSA-N 1 2 248.301 2.845 20 0 BFADLO CCC[C@H]([NH2+]Cc1cccc(C)c1)C(=O)OCC ZINC000083381194 387407146 /nfs/dbraw/zinc/40/71/46/387407146.db2.gz FYUOSBJKXMFHMD-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO Cc1nc(N2CCC[C@@H]2c2cccnc2)cc[nH+]1 ZINC000361151963 387407048 /nfs/dbraw/zinc/40/70/48/387407048.db2.gz WUHNQJNPKLBBNJ-CYBMUJFWSA-N 1 2 240.310 2.522 20 0 BFADLO CC(C)(C)OCCCC[N@@H+]1CCC(F)(F)C1 ZINC000355280340 387511446 /nfs/dbraw/zinc/51/14/46/387511446.db2.gz MZBJGCZQIXYWEY-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO CC(C)(C)OCCCC[N@H+]1CCC(F)(F)C1 ZINC000355280340 387511450 /nfs/dbraw/zinc/51/14/50/387511450.db2.gz MZBJGCZQIXYWEY-UHFFFAOYSA-N 1 2 235.318 2.923 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000355351406 387523785 /nfs/dbraw/zinc/52/37/85/387523785.db2.gz DXYWYNZVJWJBGO-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000355351406 387523788 /nfs/dbraw/zinc/52/37/88/387523788.db2.gz DXYWYNZVJWJBGO-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO CS[C@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425596781 387525565 /nfs/dbraw/zinc/52/55/65/387525565.db2.gz PEVXBQKFZMDYNC-SECBINFHSA-N 1 2 238.356 2.779 20 0 BFADLO C[C@@H](CC(F)(F)F)Nc1cc[nH+]c(C2CC2)n1 ZINC000361757681 387531827 /nfs/dbraw/zinc/53/18/27/387531827.db2.gz SNIMMYOIMCFJHF-ZETCQYMHSA-N 1 2 245.248 2.529 20 0 BFADLO CC(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)s1 ZINC000355065171 387472959 /nfs/dbraw/zinc/47/29/59/387472959.db2.gz UXELVADFMHZVMS-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CC(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)s1 ZINC000355065171 387472963 /nfs/dbraw/zinc/47/29/63/387472963.db2.gz UXELVADFMHZVMS-UHFFFAOYSA-N 1 2 249.339 2.525 20 0 BFADLO CSCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361512907 387477167 /nfs/dbraw/zinc/47/71/67/387477167.db2.gz UVMBPMMQBVXHRU-UHFFFAOYSA-N 1 2 246.379 2.820 20 0 BFADLO CSCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361512907 387477169 /nfs/dbraw/zinc/47/71/69/387477169.db2.gz UVMBPMMQBVXHRU-UHFFFAOYSA-N 1 2 246.379 2.820 20 0 BFADLO c1cc(N2CC[C@@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000336634325 387484796 /nfs/dbraw/zinc/48/47/96/387484796.db2.gz LZIICUKPXCMUHJ-JQWIXIFHSA-N 1 2 229.327 2.733 20 0 BFADLO Cc1cn[nH]c1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000352796876 387486796 /nfs/dbraw/zinc/48/67/96/387486796.db2.gz LAJRJLOXLKWDEM-UHFFFAOYSA-N 1 2 245.301 2.636 20 0 BFADLO FC1(CNc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000527509233 387587518 /nfs/dbraw/zinc/58/75/18/387587518.db2.gz BZESBQHYAYPALA-UHFFFAOYSA-N 1 2 231.274 2.786 20 0 BFADLO Clc1ccccc1COCc1[nH]cc[nH+]1 ZINC000123717554 387591274 /nfs/dbraw/zinc/59/12/74/387591274.db2.gz QRYQPJPBYQCBQI-UHFFFAOYSA-N 1 2 222.675 2.780 20 0 BFADLO COC1(C)C[NH+](Cc2cc3ccccc3o2)C1 ZINC000362312127 387594448 /nfs/dbraw/zinc/59/44/48/387594448.db2.gz HXFQROORDAQRPN-UHFFFAOYSA-N 1 2 231.295 2.654 20 0 BFADLO CC(C)c1nc(COCc2[nH]cc[nH+]2)cs1 ZINC000123850496 387596060 /nfs/dbraw/zinc/59/60/60/387596060.db2.gz FQCAZVMYHYNUFO-UHFFFAOYSA-N 1 2 237.328 2.706 20 0 BFADLO Clc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000123828531 387596267 /nfs/dbraw/zinc/59/62/67/387596267.db2.gz MLHPARCARJQHBI-UHFFFAOYSA-N 1 2 222.675 2.780 20 0 BFADLO c1ccc([N@H+](CC2CC2)C[C@@H]2CCOC2)cc1 ZINC000362322922 387597157 /nfs/dbraw/zinc/59/71/57/387597157.db2.gz POEMQWJLWJUTNJ-AWEZNQCLSA-N 1 2 231.339 2.940 20 0 BFADLO c1ccc([N@@H+](CC2CC2)C[C@@H]2CCOC2)cc1 ZINC000362322922 387597161 /nfs/dbraw/zinc/59/71/61/387597161.db2.gz POEMQWJLWJUTNJ-AWEZNQCLSA-N 1 2 231.339 2.940 20 0 BFADLO FC1(F)CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000527538322 387606572 /nfs/dbraw/zinc/60/65/72/387606572.db2.gz GIRADDVUEDOFTA-UHFFFAOYSA-N 1 2 246.688 2.966 20 0 BFADLO FC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000527237940 387545668 /nfs/dbraw/zinc/54/56/68/387545668.db2.gz JMDYOCQBMDIZSC-UHFFFAOYSA-N 1 2 246.285 2.933 20 0 BFADLO c1csc(-c2cc(Cn3cc[nH+]c3)no2)c1 ZINC000122528133 387548042 /nfs/dbraw/zinc/54/80/42/387548042.db2.gz VUCKSPUKYZTCER-UHFFFAOYSA-N 1 2 231.280 2.648 20 0 BFADLO CC[N@H+](CCCC(=O)OC)c1ccccc1C ZINC000037286342 387563138 /nfs/dbraw/zinc/56/31/38/387563138.db2.gz URSPQWUESSNKQO-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CC[N@@H+](CCCC(=O)OC)c1ccccc1C ZINC000037286342 387563142 /nfs/dbraw/zinc/56/31/42/387563142.db2.gz URSPQWUESSNKQO-UHFFFAOYSA-N 1 2 235.327 2.775 20 0 BFADLO CC(C)=CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000375765714 387579189 /nfs/dbraw/zinc/57/91/89/387579189.db2.gz RGWSIMQCCBNANV-LBPRGKRZSA-N 1 2 235.331 2.871 20 0 BFADLO CC(C)=CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000375765714 387579193 /nfs/dbraw/zinc/57/91/93/387579193.db2.gz RGWSIMQCCBNANV-LBPRGKRZSA-N 1 2 235.331 2.871 20 0 BFADLO Cc1ccc(F)cc1CNc1ccc(CO)c[nH+]1 ZINC000356299374 387639695 /nfs/dbraw/zinc/63/96/95/387639695.db2.gz HVDHZLTYZBLJKY-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO CC[N@H+](C)[C@@H](C(=O)OC(C)C)c1ccccc1 ZINC000356309382 387641625 /nfs/dbraw/zinc/64/16/25/387641625.db2.gz GCTGWOCQRKFYDP-CYBMUJFWSA-N 1 2 235.327 2.631 20 0 BFADLO CC[N@@H+](C)[C@@H](C(=O)OC(C)C)c1ccccc1 ZINC000356309382 387641632 /nfs/dbraw/zinc/64/16/32/387641632.db2.gz GCTGWOCQRKFYDP-CYBMUJFWSA-N 1 2 235.327 2.631 20 0 BFADLO CC[C@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000125360446 387653131 /nfs/dbraw/zinc/65/31/31/387653131.db2.gz ZRMNZYSNJPOQCX-JTQLQIEISA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000125360446 387653135 /nfs/dbraw/zinc/65/31/35/387653135.db2.gz ZRMNZYSNJPOQCX-JTQLQIEISA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@H]([NH2+]Cc1ccnc(C)c1)C(F)F ZINC000527711864 387670653 /nfs/dbraw/zinc/67/06/53/387670653.db2.gz BKYHGWLNDVUYDQ-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000440708923 387676982 /nfs/dbraw/zinc/67/69/82/387676982.db2.gz AWLQJHJFADUTBK-UONOGXRCSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@H](F)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000440708923 387676989 /nfs/dbraw/zinc/67/69/89/387676989.db2.gz AWLQJHJFADUTBK-UONOGXRCSA-N 1 2 237.318 2.808 20 0 BFADLO CC(=O)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126509150 387686961 /nfs/dbraw/zinc/68/69/61/387686961.db2.gz KXGZLEQVPQMWAO-UHFFFAOYSA-N 1 2 242.322 2.505 20 0 BFADLO CC(=O)CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126509150 387686966 /nfs/dbraw/zinc/68/69/66/387686966.db2.gz KXGZLEQVPQMWAO-UHFFFAOYSA-N 1 2 242.322 2.505 20 0 BFADLO COc1ccc[nH+]c1N1CCCCCCC1 ZINC000527827162 387745855 /nfs/dbraw/zinc/74/58/55/387745855.db2.gz UVPCSNXWVAYSIV-UHFFFAOYSA-N 1 2 220.316 2.861 20 0 BFADLO Cc1noc([C@H](C)[NH2+]C/C=C\c2ccccc2)n1 ZINC000356914748 387746381 /nfs/dbraw/zinc/74/63/81/387746381.db2.gz JDDRFAJJVYKZTA-WDDYJBPVSA-N 1 2 243.310 2.742 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]C/C=C\c2ccccc2)n1 ZINC000356914727 387746658 /nfs/dbraw/zinc/74/66/58/387746658.db2.gz JDDRFAJJVYKZTA-DHHDDZJSSA-N 1 2 243.310 2.742 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccco2)o1 ZINC000356958824 387753996 /nfs/dbraw/zinc/75/39/96/387753996.db2.gz VKVLLXPTPRJFIE-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccco2)o1 ZINC000356958824 387754000 /nfs/dbraw/zinc/75/40/00/387754000.db2.gz VKVLLXPTPRJFIE-JTQLQIEISA-N 1 2 220.272 2.769 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000440779689 387696833 /nfs/dbraw/zinc/69/68/33/387696833.db2.gz NYWAALXNHXJYSN-UONOGXRCSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@H](F)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000440779689 387696837 /nfs/dbraw/zinc/69/68/37/387696837.db2.gz NYWAALXNHXJYSN-UONOGXRCSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000440779690 387697191 /nfs/dbraw/zinc/69/71/91/387697191.db2.gz NYWAALXNHXJYSN-ZIAGYGMSSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000440779690 387697193 /nfs/dbraw/zinc/69/71/93/387697193.db2.gz NYWAALXNHXJYSN-ZIAGYGMSSA-N 1 2 237.318 2.808 20 0 BFADLO c1nc(C[NH2+][C@H](c2ccccn2)C2CCC2)co1 ZINC000527773442 387705458 /nfs/dbraw/zinc/70/54/58/387705458.db2.gz QTNNMMJALFURRQ-AWEZNQCLSA-N 1 2 243.310 2.701 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CC1(C)CCC1 ZINC000431434682 387710163 /nfs/dbraw/zinc/71/01/63/387710163.db2.gz XOCBWTJUCYBAMT-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO Cc1c2ccccc2oc1C[NH2+]Cc1ncc[nH]1 ZINC000115620424 387730849 /nfs/dbraw/zinc/73/08/49/387730849.db2.gz HXEXATNEWXGVEL-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO CCc1nc(C[NH2+][C@@H](C)c2cccc(C)c2)no1 ZINC000452090485 387732719 /nfs/dbraw/zinc/73/27/19/387732719.db2.gz QZUWRVGLSNWJLO-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000452084296 387733429 /nfs/dbraw/zinc/73/34/29/387733429.db2.gz UVHRCVIDNCJXBC-NSHDSACASA-N 1 2 245.326 2.791 20 0 BFADLO CCC[C@]1(C)CCC[N@H+](Cc2csnn2)C1 ZINC000128187480 387739202 /nfs/dbraw/zinc/73/92/02/387739202.db2.gz CEKNDYUFAXLERR-GFCCVEGCSA-N 1 2 239.388 2.940 20 0 BFADLO CCC[C@]1(C)CCC[N@@H+](Cc2csnn2)C1 ZINC000128187480 387739204 /nfs/dbraw/zinc/73/92/04/387739204.db2.gz CEKNDYUFAXLERR-GFCCVEGCSA-N 1 2 239.388 2.940 20 0 BFADLO COc1ccc[nH+]c1N(C)CC1CCCC1 ZINC000527866619 387739837 /nfs/dbraw/zinc/73/98/37/387739837.db2.gz PUUCYZYMBFVBOY-UHFFFAOYSA-N 1 2 220.316 2.717 20 0 BFADLO Cc1noc([C@H](C)[NH2+]Cc2ccc(F)cc2C)n1 ZINC000356892913 387741758 /nfs/dbraw/zinc/74/17/58/387741758.db2.gz KFXGBBLGTSCQKC-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO CC(C)c1nc(N2C[C@@H]3CCC[C@H]3C2)cc[nH+]1 ZINC000129116825 387764483 /nfs/dbraw/zinc/76/44/83/387764483.db2.gz NYZTYGNTADBARJ-RYUDHWBXSA-N 1 2 231.343 2.836 20 0 BFADLO c1cc(-c2ccc(CNc3cccc[nH+]3)o2)n[nH]1 ZINC000432736026 387811911 /nfs/dbraw/zinc/81/19/11/387811911.db2.gz ASMFPWGXPVJHOR-UHFFFAOYSA-N 1 2 240.266 2.677 20 0 BFADLO Cc1ccc(F)c(CNc2cccc(CO)[nH+]2)c1 ZINC000432737007 387811992 /nfs/dbraw/zinc/81/19/92/387811992.db2.gz IBHKAKQZLCORSY-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cn1cccc1C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000378337562 387775486 /nfs/dbraw/zinc/77/54/86/387775486.db2.gz QRPUQXVSSYMEDO-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO Cn1cccc1C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000378337562 387775489 /nfs/dbraw/zinc/77/54/89/387775489.db2.gz QRPUQXVSSYMEDO-GFCCVEGCSA-N 1 2 247.367 2.819 20 0 BFADLO CC[C@@H](F)COc1cccc(-n2cc[nH+]c2)c1 ZINC000441823361 387779457 /nfs/dbraw/zinc/77/94/57/387779457.db2.gz MBEPSODIBJRYGH-LLVKDONJSA-N 1 2 234.274 2.999 20 0 BFADLO C[C@H](Nc1cccc2c1OCC2)c1[nH+]ccn1C ZINC000527958438 387784305 /nfs/dbraw/zinc/78/43/05/387784305.db2.gz SSEJQHJSOHKDIJ-JTQLQIEISA-N 1 2 243.310 2.528 20 0 BFADLO C[C@@H](Nc1cccc2c1OCC2)c1[nH+]ccn1C ZINC000527958440 387784587 /nfs/dbraw/zinc/78/45/87/387784587.db2.gz SSEJQHJSOHKDIJ-SNVBAGLBSA-N 1 2 243.310 2.528 20 0 BFADLO Cc1ccc(NCc2[nH]cc[nH+]2)c2cccnc12 ZINC000049715281 387787410 /nfs/dbraw/zinc/78/74/10/387787410.db2.gz CBUUOBBFQHJCJH-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cocn2)cc1 ZINC000432737340 387812795 /nfs/dbraw/zinc/81/27/95/387812795.db2.gz CONXEAHRVWINDH-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cocn2)cc1 ZINC000432737340 387812798 /nfs/dbraw/zinc/81/27/98/387812798.db2.gz CONXEAHRVWINDH-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO C=Cn1cc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000193611469 387797702 /nfs/dbraw/zinc/79/77/02/387797702.db2.gz QRHHHVLLAZASAX-UHFFFAOYSA-N 1 2 245.301 2.755 20 0 BFADLO C=Cn1cc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000193611469 387797707 /nfs/dbraw/zinc/79/77/07/387797707.db2.gz QRHHHVLLAZASAX-UHFFFAOYSA-N 1 2 245.301 2.755 20 0 BFADLO CCCCc1nc(C[N@H+](CC)C(C)C)no1 ZINC000193722606 387803243 /nfs/dbraw/zinc/80/32/43/387803243.db2.gz BJYMTJKCQLENRP-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CCCCc1nc(C[N@@H+](CC)C(C)C)no1 ZINC000193722606 387803245 /nfs/dbraw/zinc/80/32/45/387803245.db2.gz BJYMTJKCQLENRP-UHFFFAOYSA-N 1 2 225.336 2.643 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334222 387804199 /nfs/dbraw/zinc/80/41/99/387804199.db2.gz MAVSZILWMYNMFD-QWRGUYRKSA-N 1 2 249.358 2.840 20 0 BFADLO CCCC[C@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452335072 387805585 /nfs/dbraw/zinc/80/55/85/387805585.db2.gz XNHXKZJKGPKBFC-NSHDSACASA-N 1 2 249.358 2.984 20 0 BFADLO COc1ccc[nH+]c1N(C)C[C@H]1CC=CCC1 ZINC000527962843 387810816 /nfs/dbraw/zinc/81/08/16/387810816.db2.gz MSDORTVGAVUHGJ-LBPRGKRZSA-N 1 2 232.327 2.883 20 0 BFADLO CCc1ccc(CNc2cccc(CO)[nH+]2)cc1 ZINC000432745349 387811262 /nfs/dbraw/zinc/81/12/62/387811262.db2.gz SVYSLQMXBCPUAU-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO CN(c1[nH+]ccc2ccccc21)[C@H]1CCCOC1 ZINC000528016563 387821531 /nfs/dbraw/zinc/82/15/31/387821531.db2.gz TTZPLNBAYIBJTF-ZDUSSCGKSA-N 1 2 242.322 2.850 20 0 BFADLO COc1ccc[nH+]c1N1CCC(F)(F)[C@@H](C)C1 ZINC000528022184 387827660 /nfs/dbraw/zinc/82/76/60/387827660.db2.gz HFEANVFKOGMZAV-VIFPVBQESA-N 1 2 242.269 2.572 20 0 BFADLO F[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528028070 387832092 /nfs/dbraw/zinc/83/20/92/387832092.db2.gz GMPWHADHUYVLGL-LLVKDONJSA-N 1 2 216.259 2.783 20 0 BFADLO CCc1noc(C)c1CNc1[nH+]cccc1OC ZINC000528029466 387833429 /nfs/dbraw/zinc/83/34/29/387833429.db2.gz WVMORWIQQFKUMT-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO COc1ccc[nH+]c1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000528032205 387833542 /nfs/dbraw/zinc/83/35/42/387833542.db2.gz WFNPZDRMGCVHCF-TXEJJXNPSA-N 1 2 232.327 2.717 20 0 BFADLO C/C=C/C[C@H]([NH2+]Cc1ccccc1)C(=O)OCC ZINC000432914472 387841465 /nfs/dbraw/zinc/84/14/65/387841465.db2.gz IKXMTQYSZWDHAK-KQIUPUNMSA-N 1 2 247.338 2.674 20 0 BFADLO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882012 387855081 /nfs/dbraw/zinc/85/50/81/387855081.db2.gz CDYMTHATJNEZNU-VIFPVBQESA-N 1 2 247.264 2.659 20 0 BFADLO CC(C)[C@@H]1CC[N@H+]1Cc1cc(C(F)(F)F)n[nH]1 ZINC000442882012 387855082 /nfs/dbraw/zinc/85/50/82/387855082.db2.gz CDYMTHATJNEZNU-VIFPVBQESA-N 1 2 247.264 2.659 20 0 BFADLO Cn1c[nH+]cc1CNc1ccc2ccoc2c1 ZINC000442877029 387855251 /nfs/dbraw/zinc/85/52/51/387855251.db2.gz YQTYJZZFWJPJSP-UHFFFAOYSA-N 1 2 227.267 2.778 20 0 BFADLO CC1(C[NH2+][C@@H](c2ccccc2)C(F)F)COC1 ZINC000433039640 387855613 /nfs/dbraw/zinc/85/56/13/387855613.db2.gz MYKGCYWFCLKFOH-NSHDSACASA-N 1 2 241.281 2.619 20 0 BFADLO COc1ccc[nH+]c1N1CC(C)(C)C[C@H]1C ZINC000528034804 387817027 /nfs/dbraw/zinc/81/70/27/387817027.db2.gz QVYYAZNHSQGFQY-SNVBAGLBSA-N 1 2 220.316 2.715 20 0 BFADLO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCOC1)C(F)(F)F ZINC000309539763 387817820 /nfs/dbraw/zinc/81/78/20/387817820.db2.gz GDOIFJTVDJMJDL-RKDXNWHRSA-N 1 2 239.281 2.590 20 0 BFADLO CC[C@@H]1CCCC[C@H]1CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000452413180 387817916 /nfs/dbraw/zinc/81/79/16/387817916.db2.gz DDGOJBPQROTSOI-NEPJUHHUSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1cc(C[N@H+](C)CC2=CCCC2)no1 ZINC000645775848 387899183 /nfs/dbraw/zinc/89/91/83/387899183.db2.gz YFGRFNKXQQLBTL-UHFFFAOYSA-N 1 2 206.289 2.525 20 0 BFADLO Cc1cc(C[N@@H+](C)CC2=CCCC2)no1 ZINC000645775848 387899189 /nfs/dbraw/zinc/89/91/89/387899189.db2.gz YFGRFNKXQQLBTL-UHFFFAOYSA-N 1 2 206.289 2.525 20 0 BFADLO CC[C@H]1C[C@@H](C[NH2+][C@H](C)C(F)(F)F)CCO1 ZINC000424187032 387904271 /nfs/dbraw/zinc/90/42/71/387904271.db2.gz ULUXLBSAXIWJPF-UTLUCORTSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1cc(NC(=O)c2cccc(C)c2O)cc[nH+]1 ZINC000105790258 387930985 /nfs/dbraw/zinc/93/09/85/387930985.db2.gz DDDXVIAWRISPTK-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@H](C)[C@H](C)O1 ZINC000438353600 387928801 /nfs/dbraw/zinc/92/88/01/387928801.db2.gz JXEBMYCIQDFWLI-BBBLOLIVSA-N 1 2 243.734 2.931 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@H](C)[C@H](C)O1 ZINC000438353600 387928806 /nfs/dbraw/zinc/92/88/06/387928806.db2.gz JXEBMYCIQDFWLI-BBBLOLIVSA-N 1 2 243.734 2.931 20 0 BFADLO CCc1cc(OCC[C@@H](C)O)c2ccccc2[nH+]1 ZINC000418920692 387947953 /nfs/dbraw/zinc/94/79/53/387947953.db2.gz HVKPAYVBNFQTAD-LLVKDONJSA-N 1 2 245.322 2.947 20 0 BFADLO c1coc([C@H]2COCC[N@H+]2CC2=CCCC2)c1 ZINC000645804977 387948968 /nfs/dbraw/zinc/94/89/68/387948968.db2.gz HVYOFJBYSHEKRQ-CYBMUJFWSA-N 1 2 233.311 2.763 20 0 BFADLO c1coc([C@H]2COCC[N@@H+]2CC2=CCCC2)c1 ZINC000645804977 387948972 /nfs/dbraw/zinc/94/89/72/387948972.db2.gz HVYOFJBYSHEKRQ-CYBMUJFWSA-N 1 2 233.311 2.763 20 0 BFADLO C[C@H](O)CC[N@H+](CC1CC1)c1ccccc1 ZINC000438986839 387970960 /nfs/dbraw/zinc/97/09/60/387970960.db2.gz SAMJFZNYCIPQAC-LBPRGKRZSA-N 1 2 219.328 2.674 20 0 BFADLO C[C@H](O)CC[N@@H+](CC1CC1)c1ccccc1 ZINC000438986839 387970964 /nfs/dbraw/zinc/97/09/64/387970964.db2.gz SAMJFZNYCIPQAC-LBPRGKRZSA-N 1 2 219.328 2.674 20 0 BFADLO CCc1nocc1CNc1c[nH+]ccc1C ZINC000453050145 387970985 /nfs/dbraw/zinc/97/09/85/387970985.db2.gz TZNSFMMGNMZZTG-UHFFFAOYSA-N 1 2 217.272 2.553 20 0 BFADLO CC[N@H+](CC[C@H](C)O)c1cc(C)cc(C)c1 ZINC000438985580 387971512 /nfs/dbraw/zinc/97/15/12/387971512.db2.gz NVRCBXWDCXJZGX-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO CC[N@@H+](CC[C@H](C)O)c1cc(C)cc(C)c1 ZINC000438985580 387971516 /nfs/dbraw/zinc/97/15/16/387971516.db2.gz NVRCBXWDCXJZGX-ZDUSSCGKSA-N 1 2 221.344 2.901 20 0 BFADLO FC(F)Oc1cccc(Cn2cc[nH+]c2)c1 ZINC000065234503 387957049 /nfs/dbraw/zinc/95/70/49/387957049.db2.gz XJBVSWMWTLRKMI-UHFFFAOYSA-N 1 2 224.210 2.533 20 0 BFADLO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C(F)(F)F ZINC000424333983 387979221 /nfs/dbraw/zinc/97/92/21/387979221.db2.gz YGPYCABTXISJJX-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000245747578 387980692 /nfs/dbraw/zinc/98/06/92/387980692.db2.gz NDUVBHCQCAOSTD-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1 ZINC000245747578 387980700 /nfs/dbraw/zinc/98/07/00/387980700.db2.gz NDUVBHCQCAOSTD-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245752354 387980902 /nfs/dbraw/zinc/98/09/02/387980902.db2.gz OAWMDCKANLNCJJ-ABAIWWIYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245752354 387980906 /nfs/dbraw/zinc/98/09/06/387980906.db2.gz OAWMDCKANLNCJJ-ABAIWWIYSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245752356 387980988 /nfs/dbraw/zinc/98/09/88/387980988.db2.gz OAWMDCKANLNCJJ-NHYWBVRUSA-N 1 2 241.338 2.911 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245752356 387980991 /nfs/dbraw/zinc/98/09/91/387980991.db2.gz OAWMDCKANLNCJJ-NHYWBVRUSA-N 1 2 241.338 2.911 20 0 BFADLO CC[C@@H]([NH2+]c1ccc2c(c1)CCN2)[C@@H]1CCOC1 ZINC000423220501 388002016 /nfs/dbraw/zinc/00/20/16/388002016.db2.gz VIVLHNGMWDLYNB-TZMCWYRMSA-N 1 2 246.354 2.882 20 0 BFADLO CC[C@H]([NH2+]c1ccc2c(c1)CCN2)[C@@H]1CCOC1 ZINC000423220500 388002220 /nfs/dbraw/zinc/00/22/20/388002220.db2.gz VIVLHNGMWDLYNB-OCCSQVGLSA-N 1 2 246.354 2.882 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[NH+]1[C@H](C)C[C@H]1C ZINC000548754615 388009272 /nfs/dbraw/zinc/00/92/72/388009272.db2.gz BBMNJIKCYUMIJC-BZPMIXESSA-N 1 2 247.338 2.774 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1cncs1)C(F)F ZINC000453228329 388012689 /nfs/dbraw/zinc/01/26/89/388012689.db2.gz BMXVFSLRFVYLHM-RQJHMYQMSA-N 1 2 220.288 2.837 20 0 BFADLO c1[nH]cc(NC[C@@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC000309684225 388020740 /nfs/dbraw/zinc/02/07/40/388020740.db2.gz NUKYGRCKAIIMFE-RYUDHWBXSA-N 1 2 213.284 2.625 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c(C)n1 ZINC000453296254 388037118 /nfs/dbraw/zinc/03/71/18/388037118.db2.gz RENZELWNMZFQFU-VXNVDRBHSA-N 1 2 243.301 2.788 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000440522191 388051765 /nfs/dbraw/zinc/05/17/65/388051765.db2.gz UGXVSSKSSKDKFL-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000440522191 388051768 /nfs/dbraw/zinc/05/17/68/388051768.db2.gz UGXVSSKSSKDKFL-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO COc1cccnc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000453351718 388054915 /nfs/dbraw/zinc/05/49/15/388054915.db2.gz FHOCRWDDGMBPPM-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cnc(C)cc2C)no1 ZINC000453373314 388063110 /nfs/dbraw/zinc/06/31/10/388063110.db2.gz SLVRPEYJZKBDFA-GFCCVEGCSA-N 1 2 245.326 2.846 20 0 BFADLO C[C@@H](C[N@H+](CCO)CC(F)F)C1CCCCC1 ZINC000336657593 388070593 /nfs/dbraw/zinc/07/05/93/388070593.db2.gz MTFIXFMRLBERAO-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO C[C@@H](C[N@@H+](CCO)CC(F)F)C1CCCCC1 ZINC000336657593 388070597 /nfs/dbraw/zinc/07/05/97/388070597.db2.gz MTFIXFMRLBERAO-NSHDSACASA-N 1 2 249.345 2.762 20 0 BFADLO CC[C@H](F)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336657736 388072960 /nfs/dbraw/zinc/07/29/60/388072960.db2.gz PUPLOSLENFAJHI-CBAPKCEASA-N 1 2 216.325 2.850 20 0 BFADLO CCC1C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000453601299 388089430 /nfs/dbraw/zinc/08/94/30/388089430.db2.gz GOPIKPPYUAFYRL-UHFFFAOYSA-N 1 2 229.245 2.946 20 0 BFADLO CCCCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000454187748 388105379 /nfs/dbraw/zinc/10/53/79/388105379.db2.gz MPRLAXDQZZMLHM-UHFFFAOYSA-N 1 2 249.358 2.688 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+](C[C@H](F)CC)C1CC1 ZINC000440506640 388047804 /nfs/dbraw/zinc/04/78/04/388047804.db2.gz RUYWSCKNGDMZBO-ZYHUDNBSSA-N 1 2 245.338 2.541 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+](C[C@H](F)CC)C1CC1 ZINC000440506640 388047807 /nfs/dbraw/zinc/04/78/07/388047807.db2.gz RUYWSCKNGDMZBO-ZYHUDNBSSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@@H](F)C[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000440510887 388049825 /nfs/dbraw/zinc/04/98/25/388049825.db2.gz RBLPERNHOUPPOV-SNVBAGLBSA-N 1 2 241.354 2.887 20 0 BFADLO CC[C@@H](F)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000440510887 388049830 /nfs/dbraw/zinc/04/98/30/388049830.db2.gz RBLPERNHOUPPOV-SNVBAGLBSA-N 1 2 241.354 2.887 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](F)C2)o1 ZINC000648720687 388157969 /nfs/dbraw/zinc/15/79/69/388157969.db2.gz XDRDKUMLXDAMDL-NHCYSSNCSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CC[C@H](F)C2)o1 ZINC000648720687 388157971 /nfs/dbraw/zinc/15/79/71/388157971.db2.gz XDRDKUMLXDAMDL-NHCYSSNCSA-N 1 2 223.291 2.947 20 0 BFADLO C[C@H](c1ccccn1)[N@H+](C)Cc1ccncc1F ZINC000449227460 388159495 /nfs/dbraw/zinc/15/94/95/388159495.db2.gz PLHZRQNIDJEYJG-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccncc1F ZINC000449227460 388159497 /nfs/dbraw/zinc/15/94/97/388159497.db2.gz PLHZRQNIDJEYJG-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO FCC(CF)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000449379734 388188153 /nfs/dbraw/zinc/18/81/53/388188153.db2.gz JZWLCSDZWKGIKG-UPHRSURJSA-N 1 2 229.245 2.736 20 0 BFADLO CCCC(CCC)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000646259671 388171402 /nfs/dbraw/zinc/17/14/02/388171402.db2.gz RKMKTUBFLBNJJQ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO CCCC(CCC)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000646259671 388171405 /nfs/dbraw/zinc/17/14/05/388171405.db2.gz RKMKTUBFLBNJJQ-UHFFFAOYSA-N 1 2 249.358 2.511 20 0 BFADLO F[C@H]1CC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000648721166 388178783 /nfs/dbraw/zinc/17/87/83/388178783.db2.gz XXLLDZAZZITERM-VIFPVBQESA-N 1 2 240.347 2.566 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000648721166 388178784 /nfs/dbraw/zinc/17/87/84/388178784.db2.gz XXLLDZAZZITERM-VIFPVBQESA-N 1 2 240.347 2.566 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000449353055 388180187 /nfs/dbraw/zinc/18/01/87/388180187.db2.gz ZUQPIWHTIKLKEC-IINYFYTJSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000449353055 388180188 /nfs/dbraw/zinc/18/01/88/388180188.db2.gz ZUQPIWHTIKLKEC-IINYFYTJSA-N 1 2 247.338 2.766 20 0 BFADLO CC[C@@H](NCc1cc(OC)cc(C)[nH+]1)C(F)F ZINC000449358740 388181305 /nfs/dbraw/zinc/18/13/05/388181305.db2.gz GHKVMWXSJSNJBL-LLVKDONJSA-N 1 2 244.285 2.532 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(F)F ZINC000449357704 388181332 /nfs/dbraw/zinc/18/13/32/388181332.db2.gz CXPHMJCBDRBASF-SNVBAGLBSA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(F)F ZINC000449357703 388181378 /nfs/dbraw/zinc/18/13/78/388181378.db2.gz CXPHMJCBDRBASF-JTQLQIEISA-N 1 2 239.269 2.696 20 0 BFADLO CC[C@@H]([NH2+]C/C=C/c1ccncc1)C(F)F ZINC000449364122 388182159 /nfs/dbraw/zinc/18/21/59/388182159.db2.gz RBCPXZKWEXKIMH-PGLGOXFNSA-N 1 2 226.270 2.728 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](CC)C(F)F)s1 ZINC000449363278 388182240 /nfs/dbraw/zinc/18/22/40/388182240.db2.gz PCKGEHJUGDGAEN-QMMMGPOBSA-N 1 2 234.315 2.839 20 0 BFADLO C[C@H](c1csnn1)[N@H+](C)CCC(C)(C)C ZINC000646028898 388127762 /nfs/dbraw/zinc/12/77/62/388127762.db2.gz JABULBATLBVXFV-SECBINFHSA-N 1 2 227.377 2.967 20 0 BFADLO C[C@H](c1csnn1)[N@@H+](C)CCC(C)(C)C ZINC000646028898 388127764 /nfs/dbraw/zinc/12/77/64/388127764.db2.gz JABULBATLBVXFV-SECBINFHSA-N 1 2 227.377 2.967 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1ccncc1F ZINC000449016186 388129363 /nfs/dbraw/zinc/12/93/63/388129363.db2.gz DQXMVOGQCQZACB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1ccncc1F ZINC000449016186 388129366 /nfs/dbraw/zinc/12/93/66/388129366.db2.gz DQXMVOGQCQZACB-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1F ZINC000449017302 388130775 /nfs/dbraw/zinc/13/07/75/388130775.db2.gz YHCBPZYJFAMTMX-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1F ZINC000449017302 388130776 /nfs/dbraw/zinc/13/07/76/388130776.db2.gz YHCBPZYJFAMTMX-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1conc1C ZINC000646071529 388136690 /nfs/dbraw/zinc/13/66/90/388136690.db2.gz KQPMNNFXLXGJJE-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1conc1C ZINC000646071529 388136693 /nfs/dbraw/zinc/13/66/93/388136693.db2.gz KQPMNNFXLXGJJE-UHFFFAOYSA-N 1 2 220.272 2.598 20 0 BFADLO CC(C)CCn1cccc1C[NH2+]C(CF)CF ZINC000449377719 388186930 /nfs/dbraw/zinc/18/69/30/388186930.db2.gz BMYSXIRBMVAEPO-UHFFFAOYSA-N 1 2 244.329 2.931 20 0 BFADLO CCc1ccc(NCc2[nH+]ccn2C)cc1OC ZINC000449648441 388248687 /nfs/dbraw/zinc/24/86/87/388248687.db2.gz GVRQLPZPTFDFTH-UHFFFAOYSA-N 1 2 245.326 2.603 20 0 BFADLO CC(C)OC(=O)[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000449661875 388250778 /nfs/dbraw/zinc/25/07/78/388250778.db2.gz JYWNERAJOUFSRZ-STQMWFEESA-N 1 2 249.354 2.720 20 0 BFADLO CCOc1ccc(C[NH2+]C(CF)CF)cc1F ZINC000449381429 388189045 /nfs/dbraw/zinc/18/90/45/388189045.db2.gz RWVUXGPIFURXBO-UHFFFAOYSA-N 1 2 247.260 2.622 20 0 BFADLO FCC(CF)[NH2+]Cc1sccc1Cl ZINC000449382452 388189941 /nfs/dbraw/zinc/18/99/41/388189941.db2.gz WWBSNVBQSRFTQC-UHFFFAOYSA-N 1 2 225.691 2.799 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000456346464 388195862 /nfs/dbraw/zinc/19/58/62/388195862.db2.gz HFDHREMKKJEAJF-SDDRHHMPSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000456367652 388197597 /nfs/dbraw/zinc/19/75/97/388197597.db2.gz WXNCXMRFFWLRBQ-IJLUTSLNSA-N 1 2 249.358 2.516 20 0 BFADLO CCC[C@@H](C)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456402103 388199138 /nfs/dbraw/zinc/19/91/38/388199138.db2.gz VWOXNYXWNPNJSJ-MNOVXSKESA-N 1 2 237.347 2.516 20 0 BFADLO COc1ccsc1C[NH2+][C@@H](C)C(C)(F)F ZINC000449416459 388199253 /nfs/dbraw/zinc/19/92/53/388199253.db2.gz UADSLMPYVYCLGW-ZETCQYMHSA-N 1 2 235.299 2.890 20 0 BFADLO C[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)C(C)(C)C ZINC000456404921 388199451 /nfs/dbraw/zinc/19/94/51/388199451.db2.gz XCZMSNWVKDNPEO-GMTAPVOTSA-N 1 2 249.358 2.687 20 0 BFADLO CC[C@H](C)CCC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456426944 388200279 /nfs/dbraw/zinc/20/02/79/388200279.db2.gz QVZXWZSHBYLIEL-QJPTWQEYSA-N 1 2 249.358 2.831 20 0 BFADLO CCC(CC)CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456424243 388200292 /nfs/dbraw/zinc/20/02/92/388200292.db2.gz PILMCHGYDJXQDC-PWSUYJOCSA-N 1 2 249.358 2.831 20 0 BFADLO CCCC1(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)CC1 ZINC000456439138 388200841 /nfs/dbraw/zinc/20/08/41/388200841.db2.gz XYFNWJDCKOFFIW-GHMZBOCLSA-N 1 2 247.342 2.585 20 0 BFADLO CC(C)CCCC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456434481 388200925 /nfs/dbraw/zinc/20/09/25/388200925.db2.gz UVEYXYPWFJTSOP-RYUDHWBXSA-N 1 2 249.358 2.831 20 0 BFADLO CC[C@H](C)CCC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456426947 388201431 /nfs/dbraw/zinc/20/14/31/388201431.db2.gz QVZXWZSHBYLIEL-TUAOUCFPSA-N 1 2 249.358 2.831 20 0 BFADLO C[N@H+](Cc1nc(C2CCCC2)no1)[C@H]1CC1(C)C ZINC000489407925 388211355 /nfs/dbraw/zinc/21/13/55/388211355.db2.gz RHTHTMJSQCCVDN-NSHDSACASA-N 1 2 249.358 2.958 20 0 BFADLO C[N@@H+](Cc1nc(C2CCCC2)no1)[C@H]1CC1(C)C ZINC000489407925 388211356 /nfs/dbraw/zinc/21/13/56/388211356.db2.gz RHTHTMJSQCCVDN-NSHDSACASA-N 1 2 249.358 2.958 20 0 BFADLO CCCCc1noc(C[N@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489455410 388216492 /nfs/dbraw/zinc/21/64/92/388216492.db2.gz MUPZRQJPWYSEKG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO CCCCc1noc(C[N@@H+](C)[C@@H]2CC2(C)C)n1 ZINC000489455410 388216493 /nfs/dbraw/zinc/21/64/93/388216493.db2.gz MUPZRQJPWYSEKG-SNVBAGLBSA-N 1 2 237.347 2.643 20 0 BFADLO C[N@H+](Cc1nccn1C(F)F)[C@@H]1CC1(C)C ZINC000489502422 388220198 /nfs/dbraw/zinc/22/01/98/388220198.db2.gz RNNWVFPKZYEPSB-MRVPVSSYSA-N 1 2 229.274 2.509 20 0 BFADLO C[N@@H+](Cc1nccn1C(F)F)[C@@H]1CC1(C)C ZINC000489502422 388220201 /nfs/dbraw/zinc/22/02/01/388220201.db2.gz RNNWVFPKZYEPSB-MRVPVSSYSA-N 1 2 229.274 2.509 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H](C)CC(C)C)c[nH+]1 ZINC000456839374 388226228 /nfs/dbraw/zinc/22/62/28/388226228.db2.gz MTGXENTWTRDXCX-GFCCVEGCSA-N 1 2 248.370 2.997 20 0 BFADLO CCCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456862111 388227866 /nfs/dbraw/zinc/22/78/66/388227866.db2.gz PISGMQIKWGBFRN-UHFFFAOYSA-N 1 2 234.343 2.895 20 0 BFADLO CC(C)c1nc(N2CC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000490023533 388231171 /nfs/dbraw/zinc/23/11/71/388231171.db2.gz FRVNSVBTNPNROG-RYUDHWBXSA-N 1 2 231.343 2.979 20 0 BFADLO CCc1ncc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000449608001 388241362 /nfs/dbraw/zinc/24/13/62/388241362.db2.gz DAWLVFVESRVBRP-UHFFFAOYSA-N 1 2 240.690 2.773 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2ccc(C)o2)o1 ZINC000449612812 388243130 /nfs/dbraw/zinc/24/31/30/388243130.db2.gz ORDCZXAPZXEEFQ-UHFFFAOYSA-N 1 2 234.299 2.818 20 0 BFADLO C[C@@H](O)C[N@H+](CCC1CCCCC1)CC(F)F ZINC000449631908 388246231 /nfs/dbraw/zinc/24/62/31/388246231.db2.gz QAFBBZFOQHRZHZ-LLVKDONJSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@@H](O)C[N@@H+](CCC1CCCCC1)CC(F)F ZINC000449631908 388246232 /nfs/dbraw/zinc/24/62/32/388246232.db2.gz QAFBBZFOQHRZHZ-LLVKDONJSA-N 1 2 249.345 2.905 20 0 BFADLO C[C@@H](O)C[N@H+](CCCC(C)(C)C)CC(F)F ZINC000451846964 388300634 /nfs/dbraw/zinc/30/06/34/388300634.db2.gz ZDAAKSMFGREUKO-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO C[C@@H](O)C[N@@H+](CCCC(C)(C)C)CC(F)F ZINC000451846964 388300636 /nfs/dbraw/zinc/30/06/36/388300636.db2.gz ZDAAKSMFGREUKO-SNVBAGLBSA-N 1 2 237.334 2.761 20 0 BFADLO CCc1nc(C)c(C[N@H+](C)Cc2ccccn2)o1 ZINC000451372051 388266590 /nfs/dbraw/zinc/26/65/90/388266590.db2.gz WYONFGLEWVJYMT-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccccn2)o1 ZINC000451372051 388266593 /nfs/dbraw/zinc/26/65/93/388266593.db2.gz WYONFGLEWVJYMT-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO C/C=C(/C=C\C(=O)N[C@H](CC)c1[nH]cc[nH+]1)CC ZINC000492006427 388331325 /nfs/dbraw/zinc/33/13/25/388331325.db2.gz VIFFTWJMIAJRFY-YJTYNFPPSA-N 1 2 247.342 2.890 20 0 BFADLO Cc1cc(NCCCC2CC2)nc(C2CC2)[nH+]1 ZINC000524052957 388346819 /nfs/dbraw/zinc/34/68/19/388346819.db2.gz AYPDZJGAEDJYCB-UHFFFAOYSA-N 1 2 231.343 2.686 20 0 BFADLO F[C@@H]1CC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000648721619 388354838 /nfs/dbraw/zinc/35/48/38/388354838.db2.gz SQOITOIWBWIHNF-SECBINFHSA-N 1 2 226.320 2.564 20 0 BFADLO F[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000648721619 388354841 /nfs/dbraw/zinc/35/48/41/388354841.db2.gz SQOITOIWBWIHNF-SECBINFHSA-N 1 2 226.320 2.564 20 0 BFADLO CC(C)C[C@@H](C)CNc1ccc(CO)c[nH+]1 ZINC000291678887 388376470 /nfs/dbraw/zinc/37/64/70/388376470.db2.gz XAHSTVIBHKGDEO-LLVKDONJSA-N 1 2 222.332 2.668 20 0 BFADLO C/C=C(/C=C\C(=O)Nc1c[nH+]ccc1OC)CC ZINC000492171274 388337222 /nfs/dbraw/zinc/33/72/22/388337222.db2.gz RHIZXTLQEWSIAX-BJNIYONUSA-N 1 2 246.310 2.941 20 0 BFADLO C[C@H](CF)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000288421310 388457962 /nfs/dbraw/zinc/45/79/62/388457962.db2.gz JWIXURJVVDMLMJ-MRVPVSSYSA-N 1 2 230.352 2.888 20 0 BFADLO CO[C@@H](CNc1[nH+]ccc(C)c1Cl)C1CC1 ZINC000338775611 388476907 /nfs/dbraw/zinc/47/69/07/388476907.db2.gz GLQPOSJFTXMLJZ-JTQLQIEISA-N 1 2 240.734 2.880 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000288396069 388410975 /nfs/dbraw/zinc/41/09/75/388410975.db2.gz HKPRDZYEQOWPRO-YFKPBYRVSA-N 1 2 242.241 2.610 20 0 BFADLO C[C@H](CF)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000288396068 388411049 /nfs/dbraw/zinc/41/10/49/388411049.db2.gz HKPRDZYEQOWPRO-RXMQYKEDSA-N 1 2 242.241 2.610 20 0 BFADLO Cc1cnc(CNc2ccc(C)[nH+]c2)s1 ZINC000295812937 388414297 /nfs/dbraw/zinc/41/42/97/388414297.db2.gz UFMGPFXJORTFGO-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000528518520 388540559 /nfs/dbraw/zinc/54/05/59/388540559.db2.gz GOJXPFZUJGBBRM-JSJZCHLLSA-N 1 2 229.751 2.630 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000528518520 388540561 /nfs/dbraw/zinc/54/05/61/388540561.db2.gz GOJXPFZUJGBBRM-JSJZCHLLSA-N 1 2 229.751 2.630 20 0 BFADLO C[N@@H+](Cc1noc(C2CC2)n1)CC1CC(C)(C)C1 ZINC000528528873 388543553 /nfs/dbraw/zinc/54/35/53/388543553.db2.gz YDHIDHYZKWWKMM-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO C[N@H+](Cc1noc(C2CC2)n1)CC1CC(C)(C)C1 ZINC000528528873 388543557 /nfs/dbraw/zinc/54/35/57/388543557.db2.gz YDHIDHYZKWWKMM-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO C[N@H+](CCC1CC1)Cc1noc(C(C)(C)C)n1 ZINC000135250730 388487235 /nfs/dbraw/zinc/48/72/35/388487235.db2.gz JRXOERFFFWQVQM-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO C[N@@H+](CCC1CC1)Cc1noc(C(C)(C)C)n1 ZINC000135250730 388487238 /nfs/dbraw/zinc/48/72/38/388487238.db2.gz JRXOERFFFWQVQM-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO Cc1ncc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)o1 ZINC000397925569 388512087 /nfs/dbraw/zinc/51/20/87/388512087.db2.gz QYFWLKQLKBDBSU-NOZJJQNGSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1ccc(CSc2nc(N)cc(C)[nH+]2)cc1 ZINC000007048258 388532431 /nfs/dbraw/zinc/53/24/31/388532431.db2.gz AZXGHEXZQCNKIT-UHFFFAOYSA-N 1 2 245.351 2.968 20 0 BFADLO CO[C@@]1(C)C[C@H](Nc2nc(C)[nH+]cc2C)C1(C)C ZINC000517040990 388535943 /nfs/dbraw/zinc/53/59/43/388535943.db2.gz AOYFPNRZSQCNOZ-FZMZJTMJSA-N 1 2 249.358 2.709 20 0 BFADLO COC(=O)C[N@H+](C/C=C\c1ccccc1)C(C)C ZINC000219545166 388593581 /nfs/dbraw/zinc/59/35/81/388593581.db2.gz CZNXHUYHNIOBDL-YFHOEESVSA-N 1 2 247.338 2.583 20 0 BFADLO COC(=O)C[N@@H+](C/C=C\c1ccccc1)C(C)C ZINC000219545166 388593583 /nfs/dbraw/zinc/59/35/83/388593583.db2.gz CZNXHUYHNIOBDL-YFHOEESVSA-N 1 2 247.338 2.583 20 0 BFADLO CCO[C@@H](C)c1nccn1Cc1cc[nH+]cc1C ZINC000530106915 388609055 /nfs/dbraw/zinc/60/90/55/388609055.db2.gz ATWDZERZAVJLQY-LBPRGKRZSA-N 1 2 245.326 2.732 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccns1 ZINC000630073266 388615555 /nfs/dbraw/zinc/61/55/55/388615555.db2.gz SFGPQILYJPGWQN-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccns1 ZINC000630073266 388615557 /nfs/dbraw/zinc/61/55/57/388615557.db2.gz SFGPQILYJPGWQN-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO c1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)no1 ZINC000528649309 388555489 /nfs/dbraw/zinc/55/54/89/388555489.db2.gz MBKBLUCXFPRJJD-AWEZNQCLSA-N 1 2 243.310 2.701 20 0 BFADLO CC[C@@H](NC(=O)c1cc(C)c(C)o1)c1[nH]cc[nH+]1 ZINC000548734171 388555807 /nfs/dbraw/zinc/55/58/07/388555807.db2.gz IMHYRBGDLGNXTB-SNVBAGLBSA-N 1 2 247.298 2.501 20 0 BFADLO Cc1ccnc(C[NH2+][C@@H](C)c2ncccc2F)c1 ZINC000528822284 388576840 /nfs/dbraw/zinc/57/68/40/388576840.db2.gz COEGRRNLOWFGJP-NSHDSACASA-N 1 2 245.301 2.775 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)no1 ZINC000247702826 388669917 /nfs/dbraw/zinc/66/99/17/388669917.db2.gz YHHIAOSFKAPEEP-NWDGAFQWSA-N 1 2 249.358 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)no1 ZINC000247702826 388669920 /nfs/dbraw/zinc/66/99/20/388669920.db2.gz YHHIAOSFKAPEEP-NWDGAFQWSA-N 1 2 249.358 2.787 20 0 BFADLO CC[C@H](NC(=O)CC1(C)CCCC1)c1[nH]cc[nH+]1 ZINC000522035865 388675859 /nfs/dbraw/zinc/67/58/59/388675859.db2.gz HPFDSPSIHUDVHE-NSHDSACASA-N 1 2 249.358 2.947 20 0 BFADLO CCC[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000522068255 388682675 /nfs/dbraw/zinc/68/26/75/388682675.db2.gz HMZHTWZUSRXTHG-NEPJUHHUSA-N 1 2 249.358 2.807 20 0 BFADLO CCOC(=O)[C@H]([NH2+][C@@H]1C=CCCC1)[C@H](C)CC ZINC000248538567 388682771 /nfs/dbraw/zinc/68/27/71/388682771.db2.gz AMKAJJNQQQHIQS-JHJVBQTASA-N 1 2 239.359 2.663 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000246675115 388648634 /nfs/dbraw/zinc/64/86/34/388648634.db2.gz JOQRNUFUUVPQBI-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)no1 ZINC000246675115 388648637 /nfs/dbraw/zinc/64/86/37/388648637.db2.gz JOQRNUFUUVPQBI-QWRGUYRKSA-N 1 2 237.347 2.813 20 0 BFADLO CCCc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000246725525 388650745 /nfs/dbraw/zinc/65/07/45/388650745.db2.gz LVWJPBJNAHVVNK-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)no1 ZINC000246725525 388650747 /nfs/dbraw/zinc/65/07/47/388650747.db2.gz LVWJPBJNAHVVNK-GHMZBOCLSA-N 1 2 237.347 2.643 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc[nH]n1 ZINC000538727884 388713759 /nfs/dbraw/zinc/71/37/59/388713759.db2.gz DWTRUVHRLQLAMR-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc[nH]n1 ZINC000538727884 388713762 /nfs/dbraw/zinc/71/37/62/388713762.db2.gz DWTRUVHRLQLAMR-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1ccc(F)cc1F ZINC000538761819 388719931 /nfs/dbraw/zinc/71/99/31/388719931.db2.gz DQVHYFCVICKBJW-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(F)cc1F ZINC000538761819 388719935 /nfs/dbraw/zinc/71/99/35/388719935.db2.gz DQVHYFCVICKBJW-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccoc2)[nH]1 ZINC000540147356 388796512 /nfs/dbraw/zinc/79/65/12/388796512.db2.gz RMLZPNSSEMEPIM-NXEZZACHSA-N 1 2 248.330 2.933 20 0 BFADLO Cc1nc(N[C@H]2CC[C@H](C)CC2)cc[nH+]1 ZINC000253199449 388810753 /nfs/dbraw/zinc/81/07/53/388810753.db2.gz WJXPEWZCQRJVLJ-HOMQSWHASA-N 1 2 205.305 2.776 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccno2)o1 ZINC000231884787 388843993 /nfs/dbraw/zinc/84/39/93/388843993.db2.gz FQNLNVQJXKPSNZ-JOYOIKCWSA-N 1 2 232.283 2.681 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)Cc2cccc(C)c2)n1 ZINC000556214125 388870645 /nfs/dbraw/zinc/87/06/45/388870645.db2.gz JZVKYURBZQBIPX-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000556214125 388870648 /nfs/dbraw/zinc/87/06/48/388870648.db2.gz JZVKYURBZQBIPX-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO CCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000069521258 388848107 /nfs/dbraw/zinc/84/81/07/388848107.db2.gz HYAUFEZQBKHXEZ-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO CCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000069521258 388848110 /nfs/dbraw/zinc/84/81/10/388848110.db2.gz HYAUFEZQBKHXEZ-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO C[C@H](CC(=O)NC1(C)CCCCC1)n1cc[nH+]c1 ZINC000565053222 388910887 /nfs/dbraw/zinc/91/08/87/388910887.db2.gz GGTVHMGYNGUVFO-GFCCVEGCSA-N 1 2 249.358 2.673 20 0 BFADLO Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](F)C1 ZINC000565099501 388914688 /nfs/dbraw/zinc/91/46/88/388914688.db2.gz KNZNHZBWZISLMZ-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](F)C1 ZINC000565099501 388914685 /nfs/dbraw/zinc/91/46/85/388914685.db2.gz KNZNHZBWZISLMZ-NSHDSACASA-N 1 2 247.317 2.507 20 0 BFADLO Cc1c[nH+]c(C)nc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000565224276 388927830 /nfs/dbraw/zinc/92/78/30/388927830.db2.gz GSNUPJIABHCTNF-WOPDTQHZSA-N 1 2 217.316 2.694 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)[C@H](C)C1 ZINC000565227718 388929504 /nfs/dbraw/zinc/92/95/04/388929504.db2.gz CWPMIEGGHWLTCQ-GXSJLCMTSA-N 1 2 219.332 2.576 20 0 BFADLO CC1(C)C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000264681456 388992738 /nfs/dbraw/zinc/99/27/38/388992738.db2.gz KXTUFTJVDGTPFG-SECBINFHSA-N 1 2 203.289 2.564 20 0 BFADLO CCOc1ccccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000272175984 389029638 /nfs/dbraw/zinc/02/96/38/389029638.db2.gz QIAJZBMMHCQQOR-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)s1 ZINC000273454328 389041102 /nfs/dbraw/zinc/04/11/02/389041102.db2.gz AHFLNCNQFTXUBW-DTWKUNHWSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1nc(N2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000266136139 132184178 /nfs/dbraw/zinc/18/41/78/132184178.db2.gz FROZZHVGCNWBHU-VIFPVBQESA-N 1 2 245.248 2.564 20 0 BFADLO Cn1c[nH+]cc1CN1CCCc2cccc(F)c21 ZINC000267737138 132190703 /nfs/dbraw/zinc/19/07/03/132190703.db2.gz YAPSEYVGNGFACO-UHFFFAOYSA-N 1 2 245.301 2.512 20 0 BFADLO Cc1nc(N2CC[C@@H](C)C3(CCC3)C2)cc[nH+]1 ZINC000271409826 132199138 /nfs/dbraw/zinc/19/91/38/132199138.db2.gz SSBZOBPWMMJLSZ-LLVKDONJSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CCC=C(C)C2)nc(C2CC2)[nH+]1 ZINC000280847599 132211169 /nfs/dbraw/zinc/21/11/69/132211169.db2.gz XZSSYGDYVITJIU-UHFFFAOYSA-N 1 2 229.327 2.819 20 0 BFADLO CN1CCCc2cc([NH2+]CC3(C)COC3)ccc21 ZINC000286360639 132214847 /nfs/dbraw/zinc/21/48/47/132214847.db2.gz FWTOTLJMOYNRLF-UHFFFAOYSA-N 1 2 246.354 2.517 20 0 BFADLO C[N@@H+]1CCCc2cc(NCC3(C)COC3)ccc21 ZINC000286360639 132214849 /nfs/dbraw/zinc/21/48/49/132214849.db2.gz FWTOTLJMOYNRLF-UHFFFAOYSA-N 1 2 246.354 2.517 20 0 BFADLO C[N@H+]1CCCc2cc(NCC3(C)COC3)ccc21 ZINC000286360639 132214850 /nfs/dbraw/zinc/21/48/50/132214850.db2.gz FWTOTLJMOYNRLF-UHFFFAOYSA-N 1 2 246.354 2.517 20 0 BFADLO c1cc(N2CCC[C@@H](C3CC3)C2)nc(C2CC2)[nH+]1 ZINC000288216156 132216305 /nfs/dbraw/zinc/21/63/05/132216305.db2.gz MCHNWBYHNPFNRM-CYBMUJFWSA-N 1 2 243.354 2.980 20 0 BFADLO c1ccc(N2CCC[C@@H](C3CC3)C2)[nH+]c1 ZINC000288382992 132216450 /nfs/dbraw/zinc/21/64/50/132216450.db2.gz ZLYMCGWPRREWJN-GFCCVEGCSA-N 1 2 202.301 2.708 20 0 BFADLO CSC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000292287967 132218758 /nfs/dbraw/zinc/21/87/58/132218758.db2.gz MTZMOCZPOGCOPX-NSHDSACASA-N 1 2 222.357 2.661 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)S1 ZINC000301467232 132223587 /nfs/dbraw/zinc/22/35/87/132223587.db2.gz MGSSXPJCBUVPIG-AOOOYVTPSA-N 1 2 249.383 2.684 20 0 BFADLO c1ccc(N2CCC[C@]3(CCSC3)C2)[nH+]c1 ZINC000336276778 132246230 /nfs/dbraw/zinc/24/62/30/132246230.db2.gz FLQXVLMNUASPHO-ZDUSSCGKSA-N 1 2 234.368 2.805 20 0 BFADLO Cc1cc(N2CCS[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301553291 132254883 /nfs/dbraw/zinc/25/48/83/132254883.db2.gz HRALCPYXLXEMSD-RYUDHWBXSA-N 1 2 249.383 2.649 20 0 BFADLO Cc1cc(N2C[C@H](C)C[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000302675762 132265361 /nfs/dbraw/zinc/26/53/61/132265361.db2.gz MQTXQZRKFKJCFV-SCVCMEIPSA-N 1 2 219.332 2.656 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C(C)(C)C2)nc[nH+]1 ZINC000353283162 132269331 /nfs/dbraw/zinc/26/93/31/132269331.db2.gz SHQPTVFBCXULOD-SNVBAGLBSA-N 1 2 219.332 2.657 20 0 BFADLO c1ccc(N2CCC3(CCC3)CC2)[nH+]c1 ZINC000367732782 132282204 /nfs/dbraw/zinc/28/22/04/132282204.db2.gz CSDAYCSUIPQXMP-UHFFFAOYSA-N 1 2 202.301 2.852 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ccccc2F)on1 ZINC000044300576 322841132 /nfs/dbraw/zinc/84/11/32/322841132.db2.gz PAZHUHDDIVPCDG-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO FC(F)(F)CC1CC[NH+](Cc2cocn2)CC1 ZINC000342843496 133601473 /nfs/dbraw/zinc/60/14/73/133601473.db2.gz RYOJSOSBOGPBTH-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCC12CCC2 ZINC000334280959 133613063 /nfs/dbraw/zinc/61/30/63/133613063.db2.gz HCJIAOMKQXGHPI-UHFFFAOYSA-N 1 2 245.326 2.859 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000335501702 133868560 /nfs/dbraw/zinc/86/85/60/133868560.db2.gz WIBFZEPRMGRSPF-JQWIXIFHSA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cncc(C(F)(F)F)c2)[C@@H]1C ZINC000335930643 134010600 /nfs/dbraw/zinc/01/06/00/134010600.db2.gz JAJOSVKSDBDIDD-RKDXNWHRSA-N 1 2 244.260 2.941 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cncc(C(F)(F)F)c2)[C@@H]1C ZINC000335930643 134010601 /nfs/dbraw/zinc/01/06/01/134010601.db2.gz JAJOSVKSDBDIDD-RKDXNWHRSA-N 1 2 244.260 2.941 20 0 BFADLO C[C@H]1C[N@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000335931052 134010762 /nfs/dbraw/zinc/01/07/62/134010762.db2.gz IOTGVOHLXSAIMR-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CCO1 ZINC000335931052 134010763 /nfs/dbraw/zinc/01/07/63/134010763.db2.gz IOTGVOHLXSAIMR-JTQLQIEISA-N 1 2 241.281 2.845 20 0 BFADLO Cc1nc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cs1 ZINC000335965828 134027986 /nfs/dbraw/zinc/02/79/86/134027986.db2.gz JZRWYIABDLIBIR-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO c1coc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000335974542 134030771 /nfs/dbraw/zinc/03/07/71/134030771.db2.gz OZLJOHVXBZBBLT-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc(C[N@H+]2CCOC[C@@H]2c2ccccc2)c1 ZINC000335974542 134030772 /nfs/dbraw/zinc/03/07/72/134030772.db2.gz OZLJOHVXBZBBLT-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc(C[N@@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000335974541 134030823 /nfs/dbraw/zinc/03/08/23/134030823.db2.gz OZLJOHVXBZBBLT-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc(C[N@H+]2CCOC[C@H]2c2ccccc2)c1 ZINC000335974541 134030824 /nfs/dbraw/zinc/03/08/24/134030824.db2.gz OZLJOHVXBZBBLT-HNNXBMFYSA-N 1 2 243.306 2.853 20 0 BFADLO Fc1ccccc1C1C[NH+](Cc2cscn2)C1 ZINC000336033138 134059072 /nfs/dbraw/zinc/05/90/72/134059072.db2.gz LWMHXFTWKUVKLY-UHFFFAOYSA-N 1 2 248.326 2.882 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(-c2cccs2)no1 ZINC000336055080 134065971 /nfs/dbraw/zinc/06/59/71/134065971.db2.gz FMOIONGHIGSIEO-DTORHVGOSA-N 1 2 249.339 2.781 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(-c2cccs2)no1 ZINC000336055080 134065972 /nfs/dbraw/zinc/06/59/72/134065972.db2.gz FMOIONGHIGSIEO-DTORHVGOSA-N 1 2 249.339 2.781 20 0 BFADLO FC1=CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336066713 134070669 /nfs/dbraw/zinc/07/06/69/134070669.db2.gz NVDVMXUXTOBZAB-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO FC1=CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000336066713 134070670 /nfs/dbraw/zinc/07/06/70/134070670.db2.gz NVDVMXUXTOBZAB-UHFFFAOYSA-N 1 2 231.274 2.622 20 0 BFADLO C[C@H]1COCC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000336069812 134071645 /nfs/dbraw/zinc/07/16/45/134071645.db2.gz UGLQGSOZCGGMSG-SMDDNHRTSA-N 1 2 246.354 2.797 20 0 BFADLO c1cc([C@@H]2CCC[N@H+]2Cc2ncccn2)cs1 ZINC000336089854 134077823 /nfs/dbraw/zinc/07/78/23/134077823.db2.gz VQWNLNZHHRGXLD-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO c1cc([C@@H]2CCC[N@@H+]2Cc2ncccn2)cs1 ZINC000336089854 134077824 /nfs/dbraw/zinc/07/78/24/134077824.db2.gz VQWNLNZHHRGXLD-LBPRGKRZSA-N 1 2 245.351 2.875 20 0 BFADLO C[C@@H]1CC[N@H+](CCc2cccnc2)CC1(F)F ZINC000336104943 134084614 /nfs/dbraw/zinc/08/46/14/134084614.db2.gz HLJFHRWVRWPPBV-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1CC[N@@H+](CCc2cccnc2)CC1(F)F ZINC000336104943 134084615 /nfs/dbraw/zinc/08/46/15/134084615.db2.gz HLJFHRWVRWPPBV-LLVKDONJSA-N 1 2 240.297 2.601 20 0 BFADLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CC(N)=O ZINC000336134789 134095412 /nfs/dbraw/zinc/09/54/12/134095412.db2.gz ZHQKDUVSKNZTFI-DTWKUNHWSA-N 1 2 236.290 2.669 20 0 BFADLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CC(N)=O ZINC000336134789 134095413 /nfs/dbraw/zinc/09/54/13/134095413.db2.gz ZHQKDUVSKNZTFI-DTWKUNHWSA-N 1 2 236.290 2.669 20 0 BFADLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)C1CCC1 ZINC000301867970 134156987 /nfs/dbraw/zinc/15/69/87/134156987.db2.gz DVYHHPCQKZDJGC-SECBINFHSA-N 1 2 242.326 2.813 20 0 BFADLO Cc1ccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000176197774 134289180 /nfs/dbraw/zinc/28/91/80/134289180.db2.gz DTUHSYHUTRHLST-NEPJUHHUSA-N 1 2 230.311 2.683 20 0 BFADLO FC(F)Oc1ccc[nH+]c1NCc1ccco1 ZINC000179998619 134325590 /nfs/dbraw/zinc/32/55/90/134325590.db2.gz BQTUZPDWZBFLSN-UHFFFAOYSA-N 1 2 240.209 2.888 20 0 BFADLO c1nc(C[NH2+][C@H]2COCc3ccccc32)cs1 ZINC000225999969 134357866 /nfs/dbraw/zinc/35/78/66/134357866.db2.gz RBSOVHDPWYIQHN-ZDUSSCGKSA-N 1 2 246.335 2.504 20 0 BFADLO Cc1ccc(COc2ccc(CO)cc2)c(C)[nH+]1 ZINC000185270079 134375805 /nfs/dbraw/zinc/37/58/05/134375805.db2.gz UEJUNKSXKVUDSZ-UHFFFAOYSA-N 1 2 243.306 2.770 20 0 BFADLO Cc1cc(N[C@]2(C)CCO[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000230099123 134481178 /nfs/dbraw/zinc/48/11/78/134481178.db2.gz PUHFSVPBYMCIDE-BXUZGUMPSA-N 1 2 249.358 2.888 20 0 BFADLO FC(F)(C[NH2+][C@H]1CCSC1)c1ccccc1 ZINC000231351123 134542053 /nfs/dbraw/zinc/54/20/53/134542053.db2.gz OXNCMAUXLZUFNN-NSHDSACASA-N 1 2 243.322 2.874 20 0 BFADLO OC1(CNc2ccc3ccccc3[nH+]2)CCC1 ZINC000158671944 134743271 /nfs/dbraw/zinc/74/32/71/134743271.db2.gz RWKWKDULUCAHES-UHFFFAOYSA-N 1 2 228.295 2.562 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000245903940 134872029 /nfs/dbraw/zinc/87/20/29/134872029.db2.gz LOVYWGPBJKUAGL-GHMZBOCLSA-N 1 2 237.347 2.671 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000245903940 134872031 /nfs/dbraw/zinc/87/20/31/134872031.db2.gz LOVYWGPBJKUAGL-GHMZBOCLSA-N 1 2 237.347 2.671 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1cnccn1 ZINC000070479592 134919603 /nfs/dbraw/zinc/91/96/03/134919603.db2.gz YUGTWCISNWAWLM-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccccn1)c1nccs1 ZINC000070717470 135009138 /nfs/dbraw/zinc/00/91/38/135009138.db2.gz SRCSJBNTUHVUJJ-LLVKDONJSA-N 1 2 233.340 2.779 20 0 BFADLO Cc1csc([C@H](C)[NH2+]Cc2cncs2)n1 ZINC000070732775 135010989 /nfs/dbraw/zinc/01/09/89/135010989.db2.gz VHIBWWXJFOESAH-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@H]1C[C@H]([NH2+]CC(F)(F)F)C[C@@H](C)C1 ZINC000252088449 135082965 /nfs/dbraw/zinc/08/29/65/135082965.db2.gz GUXRAAOVMAYJKD-BRPSZJMVSA-N 1 2 209.255 2.963 20 0 BFADLO CS[C@H]1CC[C@H](Nc2cccc[nH+]2)C1 ZINC000078478125 135125471 /nfs/dbraw/zinc/12/54/71/135125471.db2.gz UWQTXAPNOOVQMP-UWVGGRQHSA-N 1 2 208.330 2.778 20 0 BFADLO CC(C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000258805153 135134830 /nfs/dbraw/zinc/13/48/30/135134830.db2.gz MPTIMBQKHIWVQJ-UHFFFAOYSA-N 1 2 203.289 2.655 20 0 BFADLO Cc1cn2cc(NC(=O)[C@@H](C)C(C)C)ccc2[nH+]1 ZINC000353683710 135274384 /nfs/dbraw/zinc/27/43/84/135274384.db2.gz VESXOHNODQXCFC-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2cc(C)ccc2F)n1 ZINC000342452944 135275855 /nfs/dbraw/zinc/27/58/55/135275855.db2.gz SQGSUZQSVRBIAA-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000342721426 135314748 /nfs/dbraw/zinc/31/47/48/135314748.db2.gz BXKLIYQGDSXQEF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000342721426 135314750 /nfs/dbraw/zinc/31/47/50/135314750.db2.gz BXKLIYQGDSXQEF-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000342789515 135318164 /nfs/dbraw/zinc/31/81/64/135318164.db2.gz CBMIXGADDXXQNI-LBPRGKRZSA-N 1 2 229.327 2.877 20 0 BFADLO Cc1c[nH+]c(CN2Cc3ccccc3[C@@H]2C)n1C ZINC000342770115 135326177 /nfs/dbraw/zinc/32/61/77/135326177.db2.gz VRZNGNJOFKZIPJ-LBPRGKRZSA-N 1 2 241.338 2.805 20 0 BFADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2cnccn2)n1 ZINC000080271877 135367673 /nfs/dbraw/zinc/36/76/73/135367673.db2.gz UIRMUZFCEHQECE-NXEZZACHSA-N 1 2 248.355 2.653 20 0 BFADLO C[C@@H](Nc1c[nH+]c2c(c1)CCCC2)[C@H]1CCOC1 ZINC000334349179 135368093 /nfs/dbraw/zinc/36/80/93/135368093.db2.gz ZWBYFLNGDLBTTM-YPMHNXCESA-N 1 2 246.354 2.797 20 0 BFADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000334376496 135376148 /nfs/dbraw/zinc/37/61/48/135376148.db2.gz VTZQKWKVOJIZRX-LKFCYVNXSA-N 1 2 245.301 2.572 20 0 BFADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CCCOCC1 ZINC000334397548 135388925 /nfs/dbraw/zinc/38/89/25/135388925.db2.gz CNTNBHFRIZPLAJ-JTQLQIEISA-N 1 2 241.281 2.748 20 0 BFADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CCCOCC1 ZINC000334397548 135388928 /nfs/dbraw/zinc/38/89/28/135388928.db2.gz CNTNBHFRIZPLAJ-JTQLQIEISA-N 1 2 241.281 2.748 20 0 BFADLO Fc1ccc2cc[nH+]c(N[C@@H]3CCCOC3)c2c1 ZINC000334453836 135416589 /nfs/dbraw/zinc/41/65/89/135416589.db2.gz MJHKOMRROYLIKO-GFCCVEGCSA-N 1 2 246.285 2.965 20 0 BFADLO CS[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097293844 135630198 /nfs/dbraw/zinc/63/01/98/135630198.db2.gz ISVUBYYJZRGMJC-SNVBAGLBSA-N 1 2 238.356 2.697 20 0 BFADLO C[C@H]1CC[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000345247883 135893089 /nfs/dbraw/zinc/89/30/89/135893089.db2.gz JJNRERHJFZTNBQ-QWRGUYRKSA-N 1 2 243.310 2.709 20 0 BFADLO C[N@H+](CCC1CCCCCC1)Cc1nnc[nH]1 ZINC000347890096 136015137 /nfs/dbraw/zinc/01/51/37/136015137.db2.gz YFFGBXNQGKBIAJ-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO C[N@@H+](CCC1CCCCCC1)Cc1nnc[nH]1 ZINC000347890096 136015138 /nfs/dbraw/zinc/01/51/38/136015138.db2.gz YFFGBXNQGKBIAJ-UHFFFAOYSA-N 1 2 236.363 2.597 20 0 BFADLO CN(Cc1[nH+]ccn1C)c1ccc2cc[nH]c2c1 ZINC000348302727 136064742 /nfs/dbraw/zinc/06/47/42/136064742.db2.gz DHJJVUVDHVKDFH-UHFFFAOYSA-N 1 2 240.310 2.538 20 0 BFADLO Cc1cc[nH+]cc1Cn1cc(C(C)C)cn1 ZINC000335345470 136065992 /nfs/dbraw/zinc/06/59/92/136065992.db2.gz JBTZMXHSYAFWGQ-UHFFFAOYSA-N 1 2 215.300 2.758 20 0 BFADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)CCO1 ZINC000335347885 136067330 /nfs/dbraw/zinc/06/73/30/136067330.db2.gz CQLWPCYSVVKBQY-JTQLQIEISA-N 1 2 246.285 2.599 20 0 BFADLO Cc1cccc2c1cc[nH+]c2N1CCO[C@H](C)C1 ZINC000335347887 136067434 /nfs/dbraw/zinc/06/74/34/136067434.db2.gz CTTLIETUUPUATE-GFCCVEGCSA-N 1 2 242.322 2.768 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2ccncc2F)C1 ZINC000335360175 136080520 /nfs/dbraw/zinc/08/05/20/136080520.db2.gz UPARUTCEWDVXFX-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2ccncc2F)C1 ZINC000335360175 136080521 /nfs/dbraw/zinc/08/05/21/136080521.db2.gz UPARUTCEWDVXFX-LBPRGKRZSA-N 1 2 226.270 2.545 20 0 BFADLO Clc1cccc2c1CN(Cc1c[nH+]c[nH]1)CC2 ZINC000335584985 136101512 /nfs/dbraw/zinc/10/15/12/136101512.db2.gz AWZIFCREGOTWJS-UHFFFAOYSA-N 1 2 247.729 2.621 20 0 BFADLO Cc1cc(C)c(NC(=O)N(C)CC2CC2)c(C)[nH+]1 ZINC000335586662 136102439 /nfs/dbraw/zinc/10/24/39/136102439.db2.gz RUWUKQALAJFPHZ-UHFFFAOYSA-N 1 2 247.342 2.881 20 0 BFADLO Cc1cc(CNC(=O)[C@@]23C[C@@H]2CCC3)cc(C)[nH+]1 ZINC000335594629 136104445 /nfs/dbraw/zinc/10/44/45/136104445.db2.gz IUQYGRNYEDHDNN-ZFWWWQNUSA-N 1 2 244.338 2.505 20 0 BFADLO CS[C@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000335563126 136106560 /nfs/dbraw/zinc/10/65/60/136106560.db2.gz WKKXMULEOTWOSB-QWRGUYRKSA-N 1 2 208.330 2.696 20 0 BFADLO CC1=CCC[N@H+](Cc2cn3ccsc3n2)C1 ZINC000335582461 136112846 /nfs/dbraw/zinc/11/28/46/136112846.db2.gz YIKPIDLLHMTOFI-UHFFFAOYSA-N 1 2 233.340 2.548 20 0 BFADLO CC1=CCC[N@@H+](Cc2cn3ccsc3n2)C1 ZINC000335582461 136112847 /nfs/dbraw/zinc/11/28/47/136112847.db2.gz YIKPIDLLHMTOFI-UHFFFAOYSA-N 1 2 233.340 2.548 20 0 BFADLO FCCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000367053600 136116139 /nfs/dbraw/zinc/11/61/39/136116139.db2.gz GHOKEMCVPPPSLB-LBPRGKRZSA-N 1 2 241.306 2.793 20 0 BFADLO FCCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000367053600 136116140 /nfs/dbraw/zinc/11/61/40/136116140.db2.gz GHOKEMCVPPPSLB-LBPRGKRZSA-N 1 2 241.306 2.793 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1ccncc1F ZINC000648366573 397804584 /nfs/dbraw/zinc/80/45/84/397804584.db2.gz XUXFVYCWCPTSCM-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1ccncc1F ZINC000648366573 397804588 /nfs/dbraw/zinc/80/45/88/397804588.db2.gz XUXFVYCWCPTSCM-UHFFFAOYSA-N 1 2 234.274 2.836 20 0 BFADLO CCc1[nH+]c(C)ccc1OCCSC ZINC000190768856 397887334 /nfs/dbraw/zinc/88/73/34/397887334.db2.gz FMFCISAWOKNVHZ-UHFFFAOYSA-N 1 2 211.330 2.694 20 0 BFADLO CCc1nc([C@H](C)[NH2+]Cc2ccccn2)cs1 ZINC000111406618 397937918 /nfs/dbraw/zinc/93/79/18/397937918.db2.gz BTILRRAGZYANIA-JTQLQIEISA-N 1 2 247.367 2.951 20 0 BFADLO COc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)[nH+]c1 ZINC000389848795 397997446 /nfs/dbraw/zinc/99/74/46/397997446.db2.gz RQUXFTVPGNGEGZ-FXPVBKGRSA-N 1 2 206.289 2.547 20 0 BFADLO CCCc1nc(C(=O)Nc2cc[nH+]c(C)c2)co1 ZINC000273625010 397999173 /nfs/dbraw/zinc/99/91/73/397999173.db2.gz RGFWGUDXLAZCAC-UHFFFAOYSA-N 1 2 245.282 2.583 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121003737 398002201 /nfs/dbraw/zinc/00/22/01/398002201.db2.gz WEYXTMVSINLBLT-ZDUSSCGKSA-N 1 2 221.300 2.619 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121003737 398002202 /nfs/dbraw/zinc/00/22/02/398002202.db2.gz WEYXTMVSINLBLT-ZDUSSCGKSA-N 1 2 221.300 2.619 20 0 BFADLO CC(C)O[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000649697222 398046042 /nfs/dbraw/zinc/04/60/42/398046042.db2.gz BVEYJAGSLZADLO-GFCCVEGCSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)O[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000649697222 398046049 /nfs/dbraw/zinc/04/60/49/398046049.db2.gz BVEYJAGSLZADLO-GFCCVEGCSA-N 1 2 240.372 2.533 20 0 BFADLO CC(C)(C)c1nnc(C[N@@H+]2CCC23CCCC3)[nH]1 ZINC000649658254 398027283 /nfs/dbraw/zinc/02/72/83/398027283.db2.gz DSVLDQYELMOYKF-UHFFFAOYSA-N 1 2 248.374 2.621 20 0 BFADLO CC(C)(C)c1nnc(C[N@H+]2CCC23CCCC3)[nH]1 ZINC000649658254 398027285 /nfs/dbraw/zinc/02/72/85/398027285.db2.gz DSVLDQYELMOYKF-UHFFFAOYSA-N 1 2 248.374 2.621 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC23CCCC3)no1 ZINC000649656551 398027358 /nfs/dbraw/zinc/02/73/58/398027358.db2.gz SEJTZYSBEMZJGI-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC23CCCC3)no1 ZINC000649656551 398027362 /nfs/dbraw/zinc/02/73/62/398027362.db2.gz SEJTZYSBEMZJGI-UHFFFAOYSA-N 1 2 235.331 2.712 20 0 BFADLO Cc1ncsc1CC[N@@H+]1CCCC(F)(F)C1 ZINC000649693907 398041340 /nfs/dbraw/zinc/04/13/40/398041340.db2.gz UTSAFKDFFCHPHA-UHFFFAOYSA-N 1 2 246.326 2.725 20 0 BFADLO Cc1ncsc1CC[N@H+]1CCCC(F)(F)C1 ZINC000649693907 398041342 /nfs/dbraw/zinc/04/13/42/398041342.db2.gz UTSAFKDFFCHPHA-UHFFFAOYSA-N 1 2 246.326 2.725 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361059312 397972957 /nfs/dbraw/zinc/97/29/57/397972957.db2.gz SKUBLXSLQCGIEM-WDEREUQCSA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361059312 397972962 /nfs/dbraw/zinc/97/29/62/397972962.db2.gz SKUBLXSLQCGIEM-WDEREUQCSA-N 1 2 233.311 2.515 20 0 BFADLO c1ccc(NC[C@H]2COC3(CCCCC3)O2)[nH+]c1 ZINC000271764770 397973134 /nfs/dbraw/zinc/97/31/34/397973134.db2.gz ZVJRLFNQQSFHIU-LBPRGKRZSA-N 1 2 248.326 2.569 20 0 BFADLO CCn1c[nH+]cc1CN1CCCC[C@H]1C(F)F ZINC000418139908 397989431 /nfs/dbraw/zinc/98/94/31/397989431.db2.gz KEHWVSYQUORTBO-NSHDSACASA-N 1 2 243.301 2.523 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cscn1 ZINC000649721823 398064666 /nfs/dbraw/zinc/06/46/66/398064666.db2.gz CZUAJYRKTUWWJL-NEPJUHHUSA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cscn1 ZINC000649721823 398064667 /nfs/dbraw/zinc/06/46/67/398064667.db2.gz CZUAJYRKTUWWJL-NEPJUHHUSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1ccc(OC(F)F)c(Cn2cc[nH+]c2)c1 ZINC000291564108 398094769 /nfs/dbraw/zinc/09/47/69/398094769.db2.gz CUWGPGLYWHEGIT-UHFFFAOYSA-N 1 2 238.237 2.841 20 0 BFADLO COc1cc(C)ccc1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000165726332 398090351 /nfs/dbraw/zinc/09/03/51/398090351.db2.gz IQDYEHYSAVNOLJ-NEPJUHHUSA-N 1 2 235.327 2.841 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)ncn1 ZINC000292224494 398102916 /nfs/dbraw/zinc/10/29/16/398102916.db2.gz RAPYZTTZDYKWMP-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)ncn1 ZINC000292224494 398102919 /nfs/dbraw/zinc/10/29/19/398102919.db2.gz RAPYZTTZDYKWMP-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1c[nH]nc1C(C)(C)C ZINC000162169837 398133913 /nfs/dbraw/zinc/13/39/13/398133913.db2.gz IUQWRJCDDJZDNJ-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1c[nH]nc1C(C)(C)C ZINC000162169837 398133915 /nfs/dbraw/zinc/13/39/15/398133915.db2.gz IUQWRJCDDJZDNJ-UHFFFAOYSA-N 1 2 247.342 2.932 20 0 BFADLO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(F)(F)F ZINC000249883238 322870568 /nfs/dbraw/zinc/87/05/68/322870568.db2.gz AKUVLVWHWDWSNY-BRPSZJMVSA-N 1 2 209.255 2.963 20 0 BFADLO CC(C)n1ccnc1C[NH+]1CC(CC(F)F)C1 ZINC000668251384 487557105 /nfs/dbraw/zinc/55/71/05/487557105.db2.gz XNACUUVDMDRNDS-UHFFFAOYSA-N 1 2 243.301 2.551 20 0 BFADLO c1[nH+]c(S[C@H]2CCCOC2)n2ccccc12 ZINC000674303460 487557644 /nfs/dbraw/zinc/55/76/44/487557644.db2.gz IYONQHFVFAXKNH-NSHDSACASA-N 1 2 234.324 2.605 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)CCC(C)C)[nH+]1 ZINC000674336604 487561947 /nfs/dbraw/zinc/56/19/47/487561947.db2.gz NWYLDCGTEZMLLZ-UHFFFAOYSA-N 1 2 232.331 2.749 20 0 BFADLO CCC[C@H]([NH2+]Cc1n[nH]cc1C)c1ccccn1 ZINC000685615201 487563562 /nfs/dbraw/zinc/56/35/62/487563562.db2.gz XMSUAKWNMYUTSR-LBPRGKRZSA-N 1 2 244.342 2.744 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000685613371 487564313 /nfs/dbraw/zinc/56/43/13/487564313.db2.gz NICXRNAIINTAQQ-SKDRFNHKSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000685613371 487564316 /nfs/dbraw/zinc/56/43/16/487564316.db2.gz NICXRNAIINTAQQ-SKDRFNHKSA-N 1 2 245.326 2.724 20 0 BFADLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cccs1 ZINC000093772988 167168393 /nfs/dbraw/zinc/16/83/93/167168393.db2.gz HZKCYXLIBWPCRS-SNVBAGLBSA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cccs1 ZINC000093772988 167168395 /nfs/dbraw/zinc/16/83/95/167168395.db2.gz HZKCYXLIBWPCRS-SNVBAGLBSA-N 1 2 241.356 2.520 20 0 BFADLO CC(C)n1c[nH+]cc1CN(C)c1cccc(O)c1 ZINC000668802001 487565141 /nfs/dbraw/zinc/56/51/41/487565141.db2.gz COWUFCVBROMLBQ-UHFFFAOYSA-N 1 2 245.326 2.806 20 0 BFADLO CCC[C@H](C)NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000685650916 487570987 /nfs/dbraw/zinc/57/09/87/487570987.db2.gz UPPQCYLECPJTKV-JTQLQIEISA-N 1 2 246.314 2.644 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc[nH+]1 ZINC000095413036 487582946 /nfs/dbraw/zinc/58/29/46/487582946.db2.gz KUZVTFJKIVNGIY-MXWKQRLJSA-N 1 2 247.342 2.506 20 0 BFADLO Cc1cc(CNc2cc(C)[nH+]c(C(C)C)n2)no1 ZINC000044416242 322910202 /nfs/dbraw/zinc/91/02/02/322910202.db2.gz SJGANXUCEBXLHL-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO CCOCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653833315 487595910 /nfs/dbraw/zinc/59/59/10/487595910.db2.gz FWXUKTXIATWIEU-UHFFFAOYSA-N 1 2 241.281 2.707 20 0 BFADLO CCC[C@H](C)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000682951192 487596340 /nfs/dbraw/zinc/59/63/40/487596340.db2.gz BFKRTRAHVGAKFA-NSHDSACASA-N 1 2 245.330 2.510 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccn(C)n1 ZINC000680460099 487598469 /nfs/dbraw/zinc/59/84/69/487598469.db2.gz QKASRFMZPBUBMY-VXGBXAGGSA-N 1 2 244.342 2.617 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cocn1)c1cccnc1 ZINC000680467515 487600892 /nfs/dbraw/zinc/60/08/92/487600892.db2.gz PJJWWOOTSUAJTB-CYBMUJFWSA-N 1 2 231.299 2.701 20 0 BFADLO Cc1noc(C[N@H+](C)C/C=C/c2ccccc2)n1 ZINC000653891245 487610527 /nfs/dbraw/zinc/61/05/27/487610527.db2.gz BLFHBECQOMINNE-RMKNXTFCSA-N 1 2 243.310 2.523 20 0 BFADLO Cc1noc(C[N@@H+](C)C/C=C/c2ccccc2)n1 ZINC000653891245 487610532 /nfs/dbraw/zinc/61/05/32/487610532.db2.gz BLFHBECQOMINNE-RMKNXTFCSA-N 1 2 243.310 2.523 20 0 BFADLO CC1(C)C[C@]1([NH2+]Cc1c[nH]cn1)c1ccccc1 ZINC000662340111 409650270 /nfs/dbraw/zinc/65/02/70/409650270.db2.gz IDXOFEPNGDTJMN-HNNXBMFYSA-N 1 2 241.338 2.825 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC(F)(F)C1)C1CCC1 ZINC000660913857 409964476 /nfs/dbraw/zinc/96/44/76/409964476.db2.gz WBEVKGIWYVVQET-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC(F)(F)C1)C1CCC1 ZINC000660913857 409964480 /nfs/dbraw/zinc/96/44/80/409964480.db2.gz WBEVKGIWYVVQET-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CSc1ccc[nH+]c1NCc1cnc(C)nc1 ZINC000651970766 409939531 /nfs/dbraw/zinc/93/95/31/409939531.db2.gz JZYRCLOOEQUFEG-UHFFFAOYSA-N 1 2 246.339 2.514 20 0 BFADLO CSc1ccc[nH+]c1N[C@H](C)[C@H]1CCOC1 ZINC000651971532 409943424 /nfs/dbraw/zinc/94/34/24/409943424.db2.gz JDVMRGSBNLMCTN-ZJUUUORDSA-N 1 2 238.356 2.640 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H]1CCSC1 ZINC000651979561 410114490 /nfs/dbraw/zinc/11/44/90/410114490.db2.gz ZGSFUDYDOFPOAX-SNVBAGLBSA-N 1 2 208.330 2.561 20 0 BFADLO CCc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCOC1 ZINC000651979944 410115873 /nfs/dbraw/zinc/11/58/73/410115873.db2.gz SCESYORIRFXORH-AAEUAGOBSA-N 1 2 234.343 2.871 20 0 BFADLO CC(C)[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000266029239 167354799 /nfs/dbraw/zinc/35/47/99/167354799.db2.gz DLESCVBTUWMAQC-SNVBAGLBSA-N 1 2 231.299 2.565 20 0 BFADLO CCc1cc(N2CCCC(F)(F)C2)nc(C)[nH+]1 ZINC000651384661 410966828 /nfs/dbraw/zinc/96/68/28/410966828.db2.gz BPYPHDYYOLETTI-UHFFFAOYSA-N 1 2 241.285 2.583 20 0 BFADLO Cc1nc(NC2CC3(CCC3)C2)cc[nH+]1 ZINC000651473365 411053704 /nfs/dbraw/zinc/05/37/04/411053704.db2.gz JQQIKULVPCURSY-UHFFFAOYSA-N 1 2 203.289 2.530 20 0 BFADLO CCc1cc(NC2CC3(CCC3)C2)nc[nH+]1 ZINC000651473374 411054044 /nfs/dbraw/zinc/05/40/44/411054044.db2.gz KORCMBNPXPQHTA-UHFFFAOYSA-N 1 2 217.316 2.784 20 0 BFADLO COc1ccc(C[NH+]2CC(C(F)F)C2)c(F)c1 ZINC000651828643 411146527 /nfs/dbraw/zinc/14/65/27/411146527.db2.gz XCCDQVVMAWRNSX-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO OCCC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000659992357 411160070 /nfs/dbraw/zinc/16/00/70/411160070.db2.gz DLGZIBWBAFSEAY-QDMKHBRRSA-N 1 2 245.366 2.922 20 0 BFADLO OCCC[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000659992357 411160073 /nfs/dbraw/zinc/16/00/73/411160073.db2.gz DLGZIBWBAFSEAY-QDMKHBRRSA-N 1 2 245.366 2.922 20 0 BFADLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)C1CCC1 ZINC000047831076 411164726 /nfs/dbraw/zinc/16/47/26/411164726.db2.gz TYUMEJVCUZPQSE-UHFFFAOYSA-N 1 2 241.294 2.815 20 0 BFADLO CC(C)c1nc(NCc2cscn2)cc[nH+]1 ZINC000110392410 167689588 /nfs/dbraw/zinc/68/95/88/167689588.db2.gz CSAZKMAIMFLMEU-UHFFFAOYSA-N 1 2 234.328 2.669 20 0 BFADLO CC[C@@H]1CC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652068235 411105073 /nfs/dbraw/zinc/10/50/73/411105073.db2.gz WRDWFDBTJRALCE-NEPJUHHUSA-N 1 2 220.316 2.829 20 0 BFADLO COCc1cc[nH+]c(N[C@H](C)Cc2ccoc2)c1 ZINC000652067775 411105225 /nfs/dbraw/zinc/10/52/25/411105225.db2.gz GVEJXVDYXFHVJY-LLVKDONJSA-N 1 2 246.310 2.864 20 0 BFADLO COCc1cc[nH+]c(NC[C@@H]2CC=CCC2)c1 ZINC000652068503 411105545 /nfs/dbraw/zinc/10/55/45/411105545.db2.gz FXFGTZQBPRPXNJ-GFCCVEGCSA-N 1 2 232.327 2.996 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000652076233 411107975 /nfs/dbraw/zinc/10/79/75/411107975.db2.gz VFIQFXRUGLZULV-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(F)c1 ZINC000652076233 411107977 /nfs/dbraw/zinc/10/79/77/411107977.db2.gz VFIQFXRUGLZULV-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Oc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1Cl ZINC000652076768 411108612 /nfs/dbraw/zinc/10/86/12/411108612.db2.gz YAHAZLNQWOTCSK-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1cccc(C[N@H+]2CCC[C@@H](F)C2)c1Cl ZINC000652076768 411108615 /nfs/dbraw/zinc/10/86/15/411108615.db2.gz YAHAZLNQWOTCSK-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H](F)C1 ZINC000652076597 411109277 /nfs/dbraw/zinc/10/92/77/411109277.db2.gz NIMKNOWSUIGLRX-CYBMUJFWSA-N 1 2 239.338 2.706 20 0 BFADLO Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H](F)C1 ZINC000652076597 411109280 /nfs/dbraw/zinc/10/92/80/411109280.db2.gz NIMKNOWSUIGLRX-CYBMUJFWSA-N 1 2 239.338 2.706 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1ccc(C)cc1 ZINC000656105198 411178990 /nfs/dbraw/zinc/17/89/90/411178990.db2.gz PKPDDNXDBPDDTL-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cccc1C ZINC000354551845 411182112 /nfs/dbraw/zinc/18/21/12/411182112.db2.gz YZPYROSXLFTMQQ-QWHCGFSZSA-N 1 2 249.354 2.906 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCC(C(C)C)CC1 ZINC000656128887 411183924 /nfs/dbraw/zinc/18/39/24/411183924.db2.gz JDOKZTYIVXFEMJ-UHFFFAOYSA-N 1 2 249.358 2.666 20 0 BFADLO CCOC1CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000658014806 411197661 /nfs/dbraw/zinc/19/76/61/411197661.db2.gz YEBVAERZLZMCOS-XNWIYYODSA-N 1 2 239.281 2.875 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccsc1 ZINC000658099297 411245020 /nfs/dbraw/zinc/24/50/20/411245020.db2.gz WJLYZJCBDRJCDB-WCABBAIRSA-N 1 2 248.355 2.696 20 0 BFADLO COc1c(C)[nH+]cnc1NC1CC2(CCC2)C1 ZINC000656204665 411208535 /nfs/dbraw/zinc/20/85/35/411208535.db2.gz XGINHRWURLBYDV-UHFFFAOYSA-N 1 2 233.315 2.538 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2nc(C)no2)c1 ZINC000653889082 411209367 /nfs/dbraw/zinc/20/93/67/411209367.db2.gz QNYUOMPLDRIYSV-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2nc(C)no2)c1 ZINC000653889082 411209370 /nfs/dbraw/zinc/20/93/70/411209370.db2.gz QNYUOMPLDRIYSV-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO Cc1c[nH+]c(CCNc2ccc(F)cn2)c(C)c1 ZINC000656211167 411210694 /nfs/dbraw/zinc/21/06/94/411210694.db2.gz RHQNDYDREDLIFJ-UHFFFAOYSA-N 1 2 245.301 2.887 20 0 BFADLO COC[C@H](CC(C)(C)C)Nc1cc(C)[nH+]cn1 ZINC000656220834 411213045 /nfs/dbraw/zinc/21/30/45/411213045.db2.gz XVRWQAPLSPKXSL-NSHDSACASA-N 1 2 237.347 2.648 20 0 BFADLO CCc1cc(N[C@@H](CC)[C@H]2CCCCO2)nc[nH+]1 ZINC000656227152 411213439 /nfs/dbraw/zinc/21/34/39/411213439.db2.gz JXFVVUKKOJKPFV-QWHCGFSZSA-N 1 2 249.358 2.799 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ccnc32)o1 ZINC000655683157 411223710 /nfs/dbraw/zinc/22/37/10/411223710.db2.gz PERMSHAMAGURLM-VXGBXAGGSA-N 1 2 245.326 2.970 20 0 BFADLO CC(=O)CCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000656369642 411235950 /nfs/dbraw/zinc/23/59/50/411235950.db2.gz NFPCXQGYVPOJSX-UHFFFAOYSA-N 1 2 228.295 2.609 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)C(=O)CCC2 ZINC000656371550 411236007 /nfs/dbraw/zinc/23/60/07/411236007.db2.gz HUAWOGXWYJISHZ-UHFFFAOYSA-N 1 2 226.279 2.606 20 0 BFADLO Cn1cc[nH+]c1-c1ccc2c(c1)C(=O)C(C)(C)C2 ZINC000656369672 411236262 /nfs/dbraw/zinc/23/62/62/411236262.db2.gz SSZBJEBGFARZAR-UHFFFAOYSA-N 1 2 240.306 2.852 20 0 BFADLO CCOc1ccc(F)cc1-c1[nH+]ccn1C ZINC000656371281 411239450 /nfs/dbraw/zinc/23/94/50/411239450.db2.gz BWBJXARNPKVSMK-UHFFFAOYSA-N 1 2 220.247 2.625 20 0 BFADLO CO[C@@H](CNc1c[nH+]cc(C)c1)CC(C)C ZINC000653469242 411290108 /nfs/dbraw/zinc/29/01/08/411290108.db2.gz SWHNMLVGIUYQGE-CYBMUJFWSA-N 1 2 222.332 2.863 20 0 BFADLO C=C/C(C)=C/CC(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000654001413 411309272 /nfs/dbraw/zinc/30/92/72/411309272.db2.gz IVKRQQRDPCYBAL-VNKGSWCUSA-N 1 2 247.342 2.603 20 0 BFADLO c1cc(C2CC2)ccc1C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000656630497 411311450 /nfs/dbraw/zinc/31/14/50/411311450.db2.gz UXLNFEXJNQNZLZ-CABCVRRESA-N 1 2 229.323 2.537 20 0 BFADLO c1cc(C2CC2)ccc1C[N@H+]1CCO[C@H]2C[C@H]21 ZINC000656630497 411311454 /nfs/dbraw/zinc/31/14/54/411311454.db2.gz UXLNFEXJNQNZLZ-CABCVRRESA-N 1 2 229.323 2.537 20 0 BFADLO CCC(C)(CC)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000654011852 411313696 /nfs/dbraw/zinc/31/36/96/411313696.db2.gz VPTSIVUGFHEVOV-QWRGUYRKSA-N 1 2 249.358 2.831 20 0 BFADLO COc1cc(C)c(C)cc1[NH2+]CCC(C)(C)O ZINC000656659995 411318401 /nfs/dbraw/zinc/31/84/01/411318401.db2.gz PZTJXJXWTBISCX-UHFFFAOYSA-N 1 2 237.343 2.885 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccnc2)co1 ZINC000660138592 411254386 /nfs/dbraw/zinc/25/43/86/411254386.db2.gz XEXIHPYSHKSRBW-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2cccnc2)co1 ZINC000660138592 411254388 /nfs/dbraw/zinc/25/43/88/411254388.db2.gz XEXIHPYSHKSRBW-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccnc2)c(C)o1 ZINC000660140856 411256552 /nfs/dbraw/zinc/25/65/52/411256552.db2.gz RDNTVDTXBBHARK-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccnc2)c(C)o1 ZINC000660140856 411256555 /nfs/dbraw/zinc/25/65/55/411256555.db2.gz RDNTVDTXBBHARK-JTQLQIEISA-N 1 2 245.326 2.879 20 0 BFADLO COCc1csc(CNc2cccc[nH+]2)c1 ZINC000656766724 411352880 /nfs/dbraw/zinc/35/28/80/411352880.db2.gz CQNMRHAHFNCLKP-UHFFFAOYSA-N 1 2 234.324 2.902 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1coc(C)n1 ZINC000659867361 411354313 /nfs/dbraw/zinc/35/43/13/411354313.db2.gz JPNILLVKBWAOTQ-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1coc(C)n1 ZINC000659867361 411354316 /nfs/dbraw/zinc/35/43/16/411354316.db2.gz JPNILLVKBWAOTQ-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CC(C)n1cc[nH+]c1CNc1cncc(F)c1 ZINC000656774219 411355929 /nfs/dbraw/zinc/35/59/29/411355929.db2.gz ANIOENGDLGNSPT-UHFFFAOYSA-N 1 2 234.278 2.610 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661968248 411337313 /nfs/dbraw/zinc/33/73/13/411337313.db2.gz WCWNRUXAEYOETD-UWVGGRQHSA-N 1 2 237.372 2.503 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CC[C@H]3C[C@H]3C2)s1 ZINC000661968248 411337315 /nfs/dbraw/zinc/33/73/15/411337315.db2.gz WCWNRUXAEYOETD-UWVGGRQHSA-N 1 2 237.372 2.503 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2C)c(C)o1 ZINC000659854115 411344114 /nfs/dbraw/zinc/34/41/14/411344114.db2.gz UVULFAGXYDQWHI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2C)c(C)o1 ZINC000659854115 411344116 /nfs/dbraw/zinc/34/41/16/411344116.db2.gz UVULFAGXYDQWHI-UHFFFAOYSA-N 1 2 234.299 2.825 20 0 BFADLO CCOC1(C)C[NH+](Cc2cc3ccccc3[nH]2)C1 ZINC000656737061 411344939 /nfs/dbraw/zinc/34/49/39/411344939.db2.gz IURBSZJIPSSEIU-UHFFFAOYSA-N 1 2 244.338 2.779 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cn[nH]c1 ZINC000658339877 411346092 /nfs/dbraw/zinc/34/60/92/411346092.db2.gz WOEPFTWWSXPARM-MRVPVSSYSA-N 1 2 231.290 2.742 20 0 BFADLO CC[C@@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000125102269 411347919 /nfs/dbraw/zinc/34/79/19/411347919.db2.gz HUZHAVSPMANFBC-GFCCVEGCSA-N 1 2 230.311 2.726 20 0 BFADLO CC1=C(C)C[N@H+]([C@@H](C)c2csnn2)CC1 ZINC000336260456 168084266 /nfs/dbraw/zinc/08/42/66/168084266.db2.gz PBWYGEPNBBXYAK-JTQLQIEISA-N 1 2 223.345 2.641 20 0 BFADLO CC1=C(C)C[N@@H+]([C@@H](C)c2csnn2)CC1 ZINC000336260456 168084269 /nfs/dbraw/zinc/08/42/69/168084269.db2.gz PBWYGEPNBBXYAK-JTQLQIEISA-N 1 2 223.345 2.641 20 0 BFADLO CC1=CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000280715383 168097695 /nfs/dbraw/zinc/09/76/95/168097695.db2.gz FBKAXFPWLPMLPJ-UITAMQMPSA-N 1 2 206.116 2.957 20 0 BFADLO CC1=CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000280715383 168097699 /nfs/dbraw/zinc/09/76/99/168097699.db2.gz FBKAXFPWLPMLPJ-UITAMQMPSA-N 1 2 206.116 2.957 20 0 BFADLO CC1=CCC[C@@H](C)[C@H]1CNc1ccc(CO)c[nH+]1 ZINC000356322071 168102164 /nfs/dbraw/zinc/10/21/64/168102164.db2.gz QMDYEHPFQJFBQA-OCCSQVGLSA-N 1 2 246.354 2.978 20 0 BFADLO CC1=CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000280845923 168102251 /nfs/dbraw/zinc/10/22/51/168102251.db2.gz XWVAOMBDAAELPZ-UHFFFAOYSA-N 1 2 213.284 2.719 20 0 BFADLO CC1=CC[N@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC000339624871 168113950 /nfs/dbraw/zinc/11/39/50/168113950.db2.gz ZILWYIZOMYKXBZ-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC1=CC[N@@H+](Cc2nc(CCC(C)C)no2)CC1 ZINC000339624871 168113954 /nfs/dbraw/zinc/11/39/54/168113954.db2.gz ZILWYIZOMYKXBZ-UHFFFAOYSA-N 1 2 249.358 2.810 20 0 BFADLO CC1=CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000238234820 168116820 /nfs/dbraw/zinc/11/68/20/168116820.db2.gz DUDNFZNYRXZSKZ-UHFFFAOYSA-N 1 2 213.284 2.719 20 0 BFADLO CC1CC(Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000301501837 168148291 /nfs/dbraw/zinc/14/82/91/168148291.db2.gz BELGTJVPOKWJRC-UHFFFAOYSA-N 1 2 219.332 2.985 20 0 BFADLO CCC(=CC(=O)OCc1c[nH+]ccc1OC)CC ZINC000287272271 168197388 /nfs/dbraw/zinc/19/73/88/168197388.db2.gz SLYQHMUECWXALT-UHFFFAOYSA-N 1 2 249.310 2.880 20 0 BFADLO CCC(C)(C)CNC(=O)Nc1cc[nH+]cc1C ZINC000191924989 168278802 /nfs/dbraw/zinc/27/88/02/168278802.db2.gz AMCPBGYOCMTMNV-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)nc2)no1 ZINC000282608202 411455122 /nfs/dbraw/zinc/45/51/22/411455122.db2.gz IASMAOCMZZVQII-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO CCCN(CC)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000654470783 411401238 /nfs/dbraw/zinc/40/12/38/411401238.db2.gz UINKEBIQZRVOGO-UHFFFAOYSA-N 1 2 245.326 2.515 20 0 BFADLO CCn1nccc1CNc1cc(C)c[nH+]c1C ZINC000404640601 411403633 /nfs/dbraw/zinc/40/36/33/411403633.db2.gz JOLZZHMWIAKEDV-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1c[nH]c(CNc2ccccc2C)[nH+]1 ZINC000657318078 411462365 /nfs/dbraw/zinc/46/23/65/411462365.db2.gz KGWSIQKBFNCWEO-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1c[nH]c(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)n1 ZINC000657317490 411462384 /nfs/dbraw/zinc/46/23/84/411462384.db2.gz BUIINKATLXWIGC-SKDRFNHKSA-N 1 2 245.326 2.724 20 0 BFADLO CC1(C)C[C@H](Sc2[nH+]cc3ccccn32)CO1 ZINC000657234917 411423553 /nfs/dbraw/zinc/42/35/53/411423553.db2.gz VNXVFQSIGMJMSY-NSHDSACASA-N 1 2 248.351 2.994 20 0 BFADLO CN(c1cccc[nH+]1)[C@H](CCO)c1ccccc1 ZINC000269607735 411424482 /nfs/dbraw/zinc/42/44/82/411424482.db2.gz XURARRLFNRSLIU-CQSZACIVSA-N 1 2 242.322 2.642 20 0 BFADLO FC1=CCC[N@H+](CCc2noc3ccccc32)C1 ZINC000653596605 411430639 /nfs/dbraw/zinc/43/06/39/411430639.db2.gz BCDHFUJHACYGNJ-UHFFFAOYSA-N 1 2 246.285 2.929 20 0 BFADLO FC1=CCC[N@@H+](CCc2noc3ccccc32)C1 ZINC000653596605 411430640 /nfs/dbraw/zinc/43/06/40/411430640.db2.gz BCDHFUJHACYGNJ-UHFFFAOYSA-N 1 2 246.285 2.929 20 0 BFADLO CCCC(=CC(=O)NCc1[nH+]ccn1C)CCC ZINC000271591128 411431462 /nfs/dbraw/zinc/43/14/62/411431462.db2.gz ZXNVAHPXSBQPMO-UHFFFAOYSA-N 1 2 249.358 2.563 20 0 BFADLO COc1ccc(N[C@H]2CC[C@@H](C)SC2)[nH+]c1 ZINC000655743919 411447057 /nfs/dbraw/zinc/44/70/57/411447057.db2.gz MCPQKANXJWJBHY-ZJUUUORDSA-N 1 2 238.356 2.786 20 0 BFADLO Cc1c[nH]c(C[NH2+][C@H]2CSc3ccccc32)n1 ZINC000657367849 411480696 /nfs/dbraw/zinc/48/06/96/411480696.db2.gz WCUJOXHIOPQTGB-NSHDSACASA-N 1 2 245.351 2.655 20 0 BFADLO CC[C@H]1C[C@H](Nc2ccc(SC)c[nH+]2)CO1 ZINC000657401894 411496077 /nfs/dbraw/zinc/49/60/77/411496077.db2.gz HNJWPNQSGRUYRC-UWVGGRQHSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1c[nH]c(CNc2cc(C)ccc2C)[nH+]1 ZINC000657403024 411497330 /nfs/dbraw/zinc/49/73/30/411497330.db2.gz OOOZABPKLHMDQG-UHFFFAOYSA-N 1 2 215.300 2.947 20 0 BFADLO CC[C@H]1C[C@H](Nc2c[nH+]c3c(c2)CCCC3)CO1 ZINC000657432460 411505982 /nfs/dbraw/zinc/50/59/82/411505982.db2.gz ODBNHSJXZZRLCB-KBPBESRZSA-N 1 2 246.354 2.940 20 0 BFADLO Cc1[nH]c(CN[C@H](C)c2ccsc2)[nH+]c1C ZINC000657462909 411518847 /nfs/dbraw/zinc/51/88/47/411518847.db2.gz ZEMHWFISJLIIAZ-SNVBAGLBSA-N 1 2 235.356 2.939 20 0 BFADLO Cn1cccc1C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660003172 411526644 /nfs/dbraw/zinc/52/66/44/411526644.db2.gz GBBXYDBSDCALJA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO Cn1cccc1C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660003172 411526646 /nfs/dbraw/zinc/52/66/46/411526646.db2.gz GBBXYDBSDCALJA-UHFFFAOYSA-N 1 2 245.326 2.523 20 0 BFADLO CCCn1nccc1CNc1c[nH+]ccc1CC ZINC000657502605 411538831 /nfs/dbraw/zinc/53/88/31/411538831.db2.gz RCYCILCZLNQSCA-UHFFFAOYSA-N 1 2 244.342 2.863 20 0 BFADLO CCNC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000337883724 170104190 /nfs/dbraw/zinc/10/41/90/170104190.db2.gz BRGVWZHWJBNKGZ-UHFFFAOYSA-N 1 2 242.278 2.624 20 0 BFADLO COc1cccc([C@@H](C)[NH2+]Cc2coc(C)n2)c1 ZINC000660179998 411552496 /nfs/dbraw/zinc/55/24/96/411552496.db2.gz SQQRCESRPDVQNL-SNVBAGLBSA-N 1 2 246.310 2.842 20 0 BFADLO CO[C@@H](C[N@@H+]1CCC(F)(F)C1)C1CCCC1 ZINC000660213829 411554544 /nfs/dbraw/zinc/55/45/44/411554544.db2.gz HTUIHZWFVHRMSM-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@@H](C[N@H+]1CCC(F)(F)C1)C1CCCC1 ZINC000660213829 411554546 /nfs/dbraw/zinc/55/45/46/411554546.db2.gz HTUIHZWFVHRMSM-NSHDSACASA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@H](C[N@@H+]1CCC(F)(F)C1)C1CCCC1 ZINC000660213827 411554623 /nfs/dbraw/zinc/55/46/23/411554623.db2.gz HTUIHZWFVHRMSM-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CO[C@H](C[N@H+]1CCC(F)(F)C1)C1CCCC1 ZINC000660213827 411554625 /nfs/dbraw/zinc/55/46/25/411554625.db2.gz HTUIHZWFVHRMSM-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccsc3C2)c(C)o1 ZINC000660148711 411546255 /nfs/dbraw/zinc/54/62/55/411546255.db2.gz CRHGLURKSGWHFK-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccsc3C2)c(C)o1 ZINC000660148711 411546256 /nfs/dbraw/zinc/54/62/56/411546256.db2.gz CRHGLURKSGWHFK-UHFFFAOYSA-N 1 2 248.351 2.911 20 0 BFADLO CCNc1[nH+]ccc2c(OC)cccc21 ZINC000123750280 170178511 /nfs/dbraw/zinc/17/85/11/170178511.db2.gz OMCISEWIZVTDBE-UHFFFAOYSA-N 1 2 202.257 2.675 20 0 BFADLO CCOC(=O)C(CC)(CC)[NH2+]Cc1ccccc1 ZINC000037952685 170188389 /nfs/dbraw/zinc/18/83/89/170188389.db2.gz VPNCCJCNRPLTEM-UHFFFAOYSA-N 1 2 249.354 2.898 20 0 BFADLO CCOC(=O)[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000043638735 170246830 /nfs/dbraw/zinc/24/68/30/170246830.db2.gz FHOUEEYXJKDRQN-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@@H](C)[N@@H+](CC)Cc1cccs1 ZINC000043638735 170246832 /nfs/dbraw/zinc/24/68/32/170246832.db2.gz FHOUEEYXJKDRQN-SNVBAGLBSA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361046452 170251316 /nfs/dbraw/zinc/25/13/16/170251316.db2.gz PIXKDSJLBDKECV-BXUZGUMPSA-N 1 2 247.338 2.905 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361046452 170251318 /nfs/dbraw/zinc/25/13/18/170251318.db2.gz PIXKDSJLBDKECV-BXUZGUMPSA-N 1 2 247.338 2.905 20 0 BFADLO CC[C@@H]([NH2+]Cc1coc(C)n1)c1c(C)noc1C ZINC000660259181 411561215 /nfs/dbraw/zinc/56/12/15/411561215.db2.gz KHMPGXJXXRBYAK-GFCCVEGCSA-N 1 2 249.314 2.829 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000049368574 170268180 /nfs/dbraw/zinc/26/81/80/170268180.db2.gz RRRREDRZCIAUGP-OLZOCXBDSA-N 1 2 249.354 2.549 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+](C)Cc1cccs1 ZINC000082761012 170271175 /nfs/dbraw/zinc/27/11/75/170271175.db2.gz INHZJKKVNOHEGT-NSHDSACASA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+](C)Cc1cccs1 ZINC000082761012 170271176 /nfs/dbraw/zinc/27/11/76/170271176.db2.gz INHZJKKVNOHEGT-NSHDSACASA-N 1 2 241.356 2.522 20 0 BFADLO CCOC(=O)[C@H](CC)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361595099 170271545 /nfs/dbraw/zinc/27/15/45/170271545.db2.gz SJHRDYRAUXPKSQ-AWEZNQCLSA-N 1 2 247.338 2.652 20 0 BFADLO CCOC(=O)[C@H](CC)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361595099 170271547 /nfs/dbraw/zinc/27/15/47/170271547.db2.gz SJHRDYRAUXPKSQ-AWEZNQCLSA-N 1 2 247.338 2.652 20 0 BFADLO CCOC(=O)[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000174269971 170277161 /nfs/dbraw/zinc/27/71/61/170277161.db2.gz BWBCDFWATLMMRE-CQSZACIVSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC1C[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000297553646 170337008 /nfs/dbraw/zinc/33/70/08/170337008.db2.gz ZTIDJXQLTOVZCX-GXFFZTMASA-N 1 2 235.327 2.624 20 0 BFADLO CCOCC[N@H+](CC)Cc1c(F)cccc1F ZINC000263717734 170394837 /nfs/dbraw/zinc/39/48/37/170394837.db2.gz QCRMAKGNOQARFG-UHFFFAOYSA-N 1 2 243.297 2.823 20 0 BFADLO CCOCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000263717734 170394839 /nfs/dbraw/zinc/39/48/39/170394839.db2.gz QCRMAKGNOQARFG-UHFFFAOYSA-N 1 2 243.297 2.823 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)co1 ZINC000660444313 411585772 /nfs/dbraw/zinc/58/57/72/411585772.db2.gz BUZRUPYLDJFBFV-OIBJUYFYSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)co1 ZINC000660444313 411585774 /nfs/dbraw/zinc/58/57/74/411585774.db2.gz BUZRUPYLDJFBFV-OIBJUYFYSA-N 1 2 248.248 2.756 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccncc1 ZINC000657792787 411598714 /nfs/dbraw/zinc/59/87/14/411598714.db2.gz FZDBXIPMKKHOBX-UHFFFAOYSA-N 1 2 228.286 2.853 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C)o1 ZINC000660566931 411601311 /nfs/dbraw/zinc/60/13/11/411601311.db2.gz UHFUMKHXIYWOFQ-MRVPVSSYSA-N 1 2 244.285 2.769 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(C)o1 ZINC000660566931 411601313 /nfs/dbraw/zinc/60/13/13/411601313.db2.gz UHFUMKHXIYWOFQ-MRVPVSSYSA-N 1 2 244.285 2.769 20 0 BFADLO CCO[C@H]1C[C@@H]([NH2+]C2(C(F)F)CC2)C12CCC2 ZINC000337556917 170508258 /nfs/dbraw/zinc/50/82/58/170508258.db2.gz SBEZQSXBPIJILH-ZJUUUORDSA-N 1 2 245.313 2.721 20 0 BFADLO CO[C@H](C[N@@H+]1CCCC(F)(F)C1)C1CCCC1 ZINC000660914520 411671198 /nfs/dbraw/zinc/67/11/98/411671198.db2.gz ZYDXNPOENVDORQ-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO CO[C@H](C[N@H+]1CCCC(F)(F)C1)C1CCCC1 ZINC000660914520 411671203 /nfs/dbraw/zinc/67/12/03/411671203.db2.gz ZYDXNPOENVDORQ-GFCCVEGCSA-N 1 2 247.329 2.923 20 0 BFADLO O=C(CCCC1CC1)Nc1ccn2cc[nH+]c2c1 ZINC000660962787 411687221 /nfs/dbraw/zinc/68/72/21/411687221.db2.gz SQLAQBUKECYBEQ-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)c(C)s1 ZINC000661086539 411698577 /nfs/dbraw/zinc/69/85/77/411698577.db2.gz BSAJPNMWLIWOSH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)c(C)s1 ZINC000661086539 411698578 /nfs/dbraw/zinc/69/85/78/411698578.db2.gz BSAJPNMWLIWOSH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)c(C)s1 ZINC000661086539 411698581 /nfs/dbraw/zinc/69/85/81/411698581.db2.gz BSAJPNMWLIWOSH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)c(C)s1 ZINC000661086539 411698583 /nfs/dbraw/zinc/69/85/83/411698583.db2.gz BSAJPNMWLIWOSH-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CCc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000661089853 411702402 /nfs/dbraw/zinc/70/24/02/411702402.db2.gz HEEWPDDOMWSGHP-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000661089853 411702405 /nfs/dbraw/zinc/70/24/05/411702405.db2.gz HEEWPDDOMWSGHP-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CC1=CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663746147 411737461 /nfs/dbraw/zinc/73/74/61/411737461.db2.gz IACFEIZBHLQNKO-UHFFFAOYSA-N 1 2 239.322 2.973 20 0 BFADLO Cn1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000661514423 411794335 /nfs/dbraw/zinc/79/43/35/411794335.db2.gz WZDSADKOTLULSY-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccc(C)cc3C2)co1 ZINC000661372368 411756420 /nfs/dbraw/zinc/75/64/20/411756420.db2.gz LPNWPDDHBAWXPJ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccc(C)cc3C2)co1 ZINC000661372368 411756423 /nfs/dbraw/zinc/75/64/23/411756423.db2.gz LPNWPDDHBAWXPJ-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCc1nc(C[NH+]2CCC(C3CCC3)CC2)no1 ZINC000661377403 411761178 /nfs/dbraw/zinc/76/11/78/411761178.db2.gz YCNBLMUJEFXZLC-UHFFFAOYSA-N 1 2 249.358 2.644 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC2(CC2)C1 ZINC000663874659 411767076 /nfs/dbraw/zinc/76/70/76/411767076.db2.gz SDIKYJNIZAYFQU-UHFFFAOYSA-N 1 2 239.322 2.807 20 0 BFADLO CC(C)(C)CCC[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661407639 411770235 /nfs/dbraw/zinc/77/02/35/411770235.db2.gz OHJPYDBZQUXQHU-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO CC(C)(C)CCC[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661407639 411770239 /nfs/dbraw/zinc/77/02/39/411770239.db2.gz OHJPYDBZQUXQHU-SNVBAGLBSA-N 1 2 235.318 2.515 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cscn1 ZINC000661416624 411772435 /nfs/dbraw/zinc/77/24/35/411772435.db2.gz YPVMWTRHQPGNNU-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO CCSCc1cc[nH+]c(N[C@@H](C)COC)c1 ZINC000132455415 170645060 /nfs/dbraw/zinc/64/50/60/170645060.db2.gz HPLAWCTVALXFNA-JTQLQIEISA-N 1 2 240.372 2.782 20 0 BFADLO Cn1c[nH+]cc1CN1CC[C@@H]1c1ccc(F)cc1 ZINC000661514750 411793899 /nfs/dbraw/zinc/79/38/99/411793899.db2.gz ZURHXNWWELIBDW-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000661514423 411794338 /nfs/dbraw/zinc/79/43/38/411794338.db2.gz WZDSADKOTLULSY-CQSZACIVSA-N 1 2 245.301 2.506 20 0 BFADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2cccc(C)c2)o1 ZINC000661529876 411796271 /nfs/dbraw/zinc/79/62/71/411796271.db2.gz CJNXVGMSUXAPCM-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2cccc(C)c2)o1 ZINC000661529876 411796273 /nfs/dbraw/zinc/79/62/73/411796273.db2.gz CJNXVGMSUXAPCM-NSHDSACASA-N 1 2 245.326 2.879 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CCC[C@H](CCF)C2)no1 ZINC000661688776 411839437 /nfs/dbraw/zinc/83/94/37/411839437.db2.gz ICSQCRPLAOBMTI-MWLCHTKSSA-N 1 2 241.310 2.511 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CCC[C@H](CCF)C2)no1 ZINC000661688776 411839440 /nfs/dbraw/zinc/83/94/40/411839440.db2.gz ICSQCRPLAOBMTI-MWLCHTKSSA-N 1 2 241.310 2.511 20 0 BFADLO c1cc(N2C[C@@H]3CCCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000664083484 411846907 /nfs/dbraw/zinc/84/69/07/411846907.db2.gz RPRWWCBTUBHKGS-RYUDHWBXSA-N 1 2 229.327 2.733 20 0 BFADLO CC[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301523323 170760530 /nfs/dbraw/zinc/76/05/30/170760530.db2.gz HUEIPNAHWPAGBP-SECBINFHSA-N 1 2 207.321 2.985 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661875860 411912835 /nfs/dbraw/zinc/91/28/35/411912835.db2.gz QMXMJXSQHJDCBY-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661875860 411912839 /nfs/dbraw/zinc/91/28/39/411912839.db2.gz QMXMJXSQHJDCBY-MNOVXSKESA-N 1 2 233.302 2.533 20 0 BFADLO CC[C@H](COCC1CC1)Nc1cccc[nH+]1 ZINC000664172409 411879813 /nfs/dbraw/zinc/87/98/13/411879813.db2.gz JIFWIBWAUNZYEY-GFCCVEGCSA-N 1 2 220.316 2.699 20 0 BFADLO CCCc1nc(C[NH2+]C2(CC(C)C)CC2)no1 ZINC000662068102 411969052 /nfs/dbraw/zinc/96/90/52/411969052.db2.gz BJRDCHTZAIZFIV-UHFFFAOYSA-N 1 2 237.347 2.690 20 0 BFADLO CC[C@@H](NC(=O)C1C(C)(C)C1(C)C)c1[nH]cc[nH+]1 ZINC000140520508 170874515 /nfs/dbraw/zinc/87/45/15/170874515.db2.gz ZOWLZPDYSZHJGP-SECBINFHSA-N 1 2 249.358 2.659 20 0 BFADLO C[C@H]1COC2(CCCC2)CN1c1cccc[nH+]1 ZINC000664532119 411980303 /nfs/dbraw/zinc/98/03/03/411980303.db2.gz QQUDNBSJCXMGKE-LBPRGKRZSA-N 1 2 232.327 2.620 20 0 BFADLO CC(C)[C@H](Nc1cc[nH+]c2ccncc12)C1CC1 ZINC000664546752 411982823 /nfs/dbraw/zinc/98/28/23/411982823.db2.gz RIXBHLVXKKZJNV-HNNXBMFYSA-N 1 2 241.338 2.898 20 0 BFADLO c1coc(CCCNc2cccc[nH+]2)c1 ZINC000664584440 411991603 /nfs/dbraw/zinc/99/16/03/411991603.db2.gz PCYLOTDSVURRQZ-UHFFFAOYSA-N 1 2 202.257 2.719 20 0 BFADLO Cc1nc(NCC(F)(F)C(C)(C)C)cc[nH+]1 ZINC000664609948 411997991 /nfs/dbraw/zinc/99/79/91/411997991.db2.gz UGCVTZILGQZFCK-UHFFFAOYSA-N 1 2 229.274 2.878 20 0 BFADLO CC1(C)CC(Nc2nc(N)c3ccccc3[nH+]2)C1 ZINC000664629972 412002134 /nfs/dbraw/zinc/00/21/34/412002134.db2.gz ZOHGVSXXVDRFGX-UHFFFAOYSA-N 1 2 242.326 2.813 20 0 BFADLO CCc1cc(N(C)C[C@@H]2CC2(C)C)nc[nH+]1 ZINC000664670061 412007678 /nfs/dbraw/zinc/00/76/78/412007678.db2.gz KNQGISNEUWJQBC-JTQLQIEISA-N 1 2 219.332 2.521 20 0 BFADLO CCc1cc(N(C)C[C@H]2CC2(C)C)nc[nH+]1 ZINC000664670062 412007787 /nfs/dbraw/zinc/00/77/87/412007787.db2.gz KNQGISNEUWJQBC-SNVBAGLBSA-N 1 2 219.332 2.521 20 0 BFADLO Cn1c2ccccc2[nH+]c1N1CC2CC1(C)C2 ZINC000664692749 412010986 /nfs/dbraw/zinc/01/09/86/412010986.db2.gz CEDRPJYDWOZMEL-UHFFFAOYSA-N 1 2 227.311 2.562 20 0 BFADLO C[C@]1(CNc2cc[nH+]c3ccncc23)CC1(F)F ZINC000664401790 411944027 /nfs/dbraw/zinc/94/40/27/411944027.db2.gz VQHYYKVGEQYANN-GFCCVEGCSA-N 1 2 249.264 2.509 20 0 BFADLO CCc1cc(NCC[C@@]2(C)CC2(F)F)nc[nH+]1 ZINC000664399515 411944247 /nfs/dbraw/zinc/94/42/47/411944247.db2.gz QSODGNJPHFYSBA-NSHDSACASA-N 1 2 241.285 2.886 20 0 BFADLO Cc1cc(N[C@H]2CCc3ccc(O)cc32)nc[nH+]1 ZINC000664451274 411961824 /nfs/dbraw/zinc/96/18/24/411961824.db2.gz KELDDACSCQUKKA-ZDUSSCGKSA-N 1 2 241.294 2.590 20 0 BFADLO c1n[nH]nc1C[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662201880 412024984 /nfs/dbraw/zinc/02/49/84/412024984.db2.gz QBMLECZLQRMGRC-CYBMUJFWSA-N 1 2 248.374 2.597 20 0 BFADLO c1n[nH]nc1C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000662201880 412024985 /nfs/dbraw/zinc/02/49/85/412024985.db2.gz QBMLECZLQRMGRC-CYBMUJFWSA-N 1 2 248.374 2.597 20 0 BFADLO CC1(C)C[N@H+](Cc2ccno2)[C@H]1c1cccnc1 ZINC000664822725 412027707 /nfs/dbraw/zinc/02/77/07/412027707.db2.gz BRXYHTIUGJCXOM-ZDUSSCGKSA-N 1 2 243.310 2.653 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccno2)[C@H]1c1cccnc1 ZINC000664822725 412027710 /nfs/dbraw/zinc/02/77/10/412027710.db2.gz BRXYHTIUGJCXOM-ZDUSSCGKSA-N 1 2 243.310 2.653 20 0 BFADLO CC(C)C[C@H](C)C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000664861267 412033804 /nfs/dbraw/zinc/03/38/04/412033804.db2.gz PWIWTBSCTKCMEU-LBPRGKRZSA-N 1 2 235.375 2.840 20 0 BFADLO CC(C)C[C@H](C)C[N@H+]1CCCc2[nH]ncc2C1 ZINC000664861267 412033807 /nfs/dbraw/zinc/03/38/07/412033807.db2.gz PWIWTBSCTKCMEU-LBPRGKRZSA-N 1 2 235.375 2.840 20 0 BFADLO Cc1cc(C[N@@H+]2CCCc3[nH]ncc3C2)cs1 ZINC000664861560 412034310 /nfs/dbraw/zinc/03/43/10/412034310.db2.gz TYTZBHLLOZBVNX-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1cc(C[N@H+]2CCCc3[nH]ncc3C2)cs1 ZINC000664861560 412034313 /nfs/dbraw/zinc/03/43/13/412034313.db2.gz TYTZBHLLOZBVNX-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000664864216 412034990 /nfs/dbraw/zinc/03/49/90/412034990.db2.gz IRGYRCDGYDVTOZ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO Cc1ccc(C[N@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000664864216 412034992 /nfs/dbraw/zinc/03/49/92/412034992.db2.gz IRGYRCDGYDVTOZ-UHFFFAOYSA-N 1 2 241.338 2.667 20 0 BFADLO CC[C@@H]1CCCC[C@H]1c1noc(C[NH+](C)C)n1 ZINC000341163586 170971514 /nfs/dbraw/zinc/97/15/14/170971514.db2.gz DGKHOWAKLRGCBV-GHMZBOCLSA-N 1 2 237.347 2.815 20 0 BFADLO CCc1noc(C[NH2+][C@H](CC)c2ccccc2)n1 ZINC000664914161 412043998 /nfs/dbraw/zinc/04/39/98/412043998.db2.gz MJAYVMCEJNQOPF-GFCCVEGCSA-N 1 2 245.326 2.873 20 0 BFADLO Cc1nc(C[N@H+](C)CC2=CCSC2)cs1 ZINC000662262686 412053453 /nfs/dbraw/zinc/05/34/53/412053453.db2.gz CIVBQECORLODCE-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO Cc1nc(C[N@@H+](C)CC2=CCSC2)cs1 ZINC000662262686 412053456 /nfs/dbraw/zinc/05/34/56/412053456.db2.gz CIVBQECORLODCE-UHFFFAOYSA-N 1 2 240.397 2.557 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)CC2=CCSC2)o1 ZINC000662262756 412054278 /nfs/dbraw/zinc/05/42/78/412054278.db2.gz DDKKEWDARPRQMT-JTQLQIEISA-N 1 2 238.356 2.649 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)CC2=CCSC2)o1 ZINC000662262756 412054280 /nfs/dbraw/zinc/05/42/80/412054280.db2.gz DDKKEWDARPRQMT-JTQLQIEISA-N 1 2 238.356 2.649 20 0 BFADLO CC[C@@H]1CCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000292249436 171027449 /nfs/dbraw/zinc/02/74/49/171027449.db2.gz KCTVYQOZZVPVNR-LLVKDONJSA-N 1 2 231.343 2.653 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000276196053 171030736 /nfs/dbraw/zinc/03/07/36/171030736.db2.gz JTHMQXDKURMRCK-HAQNSBGRSA-N 1 2 249.358 2.551 20 0 BFADLO CC[C@@H]1C[C@@H](C(=O)Nc2cc[nH+]c(C)c2)CCO1 ZINC000181317925 171116174 /nfs/dbraw/zinc/11/61/74/171116174.db2.gz DBXPNKZCIKHMEV-WCQYABFASA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)CCO1 ZINC000309717430 171121246 /nfs/dbraw/zinc/12/12/46/171121246.db2.gz ULUXLBSAXIWJPF-LPEHRKFASA-N 1 2 239.281 2.732 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000299673036 171255793 /nfs/dbraw/zinc/25/57/93/171255793.db2.gz RAXPTOGSOKVEBO-VIFPVBQESA-N 1 2 231.299 2.627 20 0 BFADLO CC[C@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514671 171255881 /nfs/dbraw/zinc/25/58/81/171255881.db2.gz RUQURBCBRDKHMA-NSHDSACASA-N 1 2 243.310 2.857 20 0 BFADLO CC[C@H](C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000359925455 171258025 /nfs/dbraw/zinc/25/80/25/171258025.db2.gz MPNNPYIMPAIBSL-QWRGUYRKSA-N 1 2 235.331 2.509 20 0 BFADLO CC[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294938935 171263159 /nfs/dbraw/zinc/26/31/59/171263159.db2.gz PHKJBMVOARFJBD-JTQLQIEISA-N 1 2 231.299 2.709 20 0 BFADLO CC[C@H](C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364837703 171287807 /nfs/dbraw/zinc/28/78/07/171287807.db2.gz HGHSWCMSAICPNO-WCQYABFASA-N 1 2 244.342 2.530 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769500 171288012 /nfs/dbraw/zinc/28/80/12/171288012.db2.gz IGQQVDFGYCFYRI-NSHDSACASA-N 1 2 230.315 2.725 20 0 BFADLO CC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000265402467 171349805 /nfs/dbraw/zinc/34/98/05/171349805.db2.gz YMAQLVSDNPXZKQ-QMMMGPOBSA-N 1 2 205.305 2.873 20 0 BFADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125642 171367547 /nfs/dbraw/zinc/36/75/47/171367547.db2.gz MTDAEJAXUZTUFR-VHSXEESVSA-N 1 2 248.326 2.864 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302913955 171368096 /nfs/dbraw/zinc/36/80/96/171368096.db2.gz UWAFXEIMDDZCGH-NWDGAFQWSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302913955 171368097 /nfs/dbraw/zinc/36/80/97/171368097.db2.gz UWAFXEIMDDZCGH-NWDGAFQWSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294602329 171385346 /nfs/dbraw/zinc/38/53/46/171385346.db2.gz ZZBDEQXKFFSRHW-QWRGUYRKSA-N 1 2 245.326 2.955 20 0 BFADLO CC[C@H](C)[C@H](C)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000020125644 171391348 /nfs/dbraw/zinc/39/13/48/171391348.db2.gz MTDAEJAXUZTUFR-UWVGGRQHSA-N 1 2 248.326 2.864 20 0 BFADLO CC[C@H](C)[C@H](CNc1cccc[nH+]1)OC ZINC000294294823 171393589 /nfs/dbraw/zinc/39/35/89/171393589.db2.gz ULVJBOUDPQZPGG-QWRGUYRKSA-N 1 2 208.305 2.555 20 0 BFADLO CC[C@H](C)[C@H]([NH2+]Cc1cccc(C)c1)C(=O)OC ZINC000035044796 171399980 /nfs/dbraw/zinc/39/99/80/171399980.db2.gz NLPTUOLWDKDLOQ-JSGCOSHPSA-N 1 2 249.354 2.672 20 0 BFADLO CC(C)Oc1ccccc1-c1[nH+]ccn1C ZINC000665181318 412122138 /nfs/dbraw/zinc/12/21/38/412122138.db2.gz OIEKNLMYAVWXNR-UHFFFAOYSA-N 1 2 216.284 2.874 20 0 BFADLO Cc1cc(OC(F)F)ccc1-c1c[nH+]cn1C ZINC000665194378 412128968 /nfs/dbraw/zinc/12/89/68/412128968.db2.gz GSMCICQXSDSZHR-UHFFFAOYSA-N 1 2 238.237 2.997 20 0 BFADLO COCCCOc1ccc(-c2c[nH+]cn2C)cc1 ZINC000665217513 412154512 /nfs/dbraw/zinc/15/45/12/412154512.db2.gz LYHCEIPGQCJKPQ-UHFFFAOYSA-N 1 2 246.310 2.502 20 0 BFADLO CCc1ccccc1C[NH2+][C@@H](C)c1nc(C)no1 ZINC000354536253 171882145 /nfs/dbraw/zinc/88/21/45/171882145.db2.gz KIRBMRPKNRPFQO-JTQLQIEISA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nc([C@H](C)Nc2cc[nH+]c(C)n2)cs1 ZINC000266393897 172006907 /nfs/dbraw/zinc/00/69/07/172006907.db2.gz OMETZPPMSZWKDX-QMMMGPOBSA-N 1 2 248.355 2.977 20 0 BFADLO CCc1[nH+]c2ccccc2n1[C@@H](C)[C@H](C)O ZINC000062807833 172013460 /nfs/dbraw/zinc/01/34/60/172013460.db2.gz AJSOHYWUTYJZHE-UWVGGRQHSA-N 1 2 218.300 2.541 20 0 BFADLO CCc1nnc(C[N@H+](C)Cc2cccc(C)c2)o1 ZINC000298729102 172048588 /nfs/dbraw/zinc/04/85/88/172048588.db2.gz RPHSVWATKIMUCH-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nnc(C[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000298729102 172048591 /nfs/dbraw/zinc/04/85/91/172048591.db2.gz RPHSVWATKIMUCH-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nnc(C[NH2+]Cc2cccc(C)c2)s1 ZINC000289760749 172051663 /nfs/dbraw/zinc/05/16/63/172051663.db2.gz IYBCNFVAGPKZTR-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO CCc1noc(C)c1C[N@H+](C)Cc1ccccn1 ZINC000295179605 172076265 /nfs/dbraw/zinc/07/62/65/172076265.db2.gz PLLPIHDRAQSOHO-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000295179605 172076267 /nfs/dbraw/zinc/07/62/67/172076267.db2.gz PLLPIHDRAQSOHO-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@H+](C)Cc1cnccc1C ZINC000293390859 172095814 /nfs/dbraw/zinc/09/58/14/172095814.db2.gz KRDKPYSZQLRZGD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1nocc1C[N@@H+](C)Cc1cnccc1C ZINC000293390859 172095816 /nfs/dbraw/zinc/09/58/16/172095816.db2.gz KRDKPYSZQLRZGD-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCn1cc(C[N@@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000336086392 172167669 /nfs/dbraw/zinc/16/76/69/172167669.db2.gz XNAKICQXBDHTIF-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1cc(C[N@H+]2Cc3ccc(C)cc3C2)cn1 ZINC000336086392 172167670 /nfs/dbraw/zinc/16/76/70/172167670.db2.gz XNAKICQXBDHTIF-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1cc(NCCCc2c[nH+]ccc2C)cn1 ZINC000290296927 172184958 /nfs/dbraw/zinc/18/49/58/172184958.db2.gz HKSAWAPIFRRXQX-UHFFFAOYSA-N 1 2 244.342 2.651 20 0 BFADLO CCn1cc[nH+]c1CN1CCCC[C@H]1C(F)F ZINC000337538004 172219062 /nfs/dbraw/zinc/21/90/62/172219062.db2.gz ZFBXPLZAYXNFEK-JTQLQIEISA-N 1 2 243.301 2.523 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1F ZINC000295301189 172229964 /nfs/dbraw/zinc/22/99/64/172229964.db2.gz VDTGUWNNPORFRQ-NSHDSACASA-N 1 2 247.317 2.893 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+]Cc1occc1C ZINC000295240816 172230213 /nfs/dbraw/zinc/23/02/13/172230213.db2.gz PAZXPZCFFIZBOA-NSHDSACASA-N 1 2 233.315 2.655 20 0 BFADLO CCn1nc(C)c(CNc2cc[nH+]cc2F)c1C ZINC000277125614 172247909 /nfs/dbraw/zinc/24/79/09/172247909.db2.gz ZLOVHGZDXRFEIY-UHFFFAOYSA-N 1 2 248.305 2.666 20 0 BFADLO C[N@H+]1Cc2ccccc2[C@@H](NCc2ccco2)C1 ZINC000363158733 173201604 /nfs/dbraw/zinc/20/16/04/173201604.db2.gz DHNGXFXPRUWGND-HNNXBMFYSA-N 1 2 242.322 2.556 20 0 BFADLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2ccco2)C1 ZINC000363158733 173201605 /nfs/dbraw/zinc/20/16/05/173201605.db2.gz DHNGXFXPRUWGND-HNNXBMFYSA-N 1 2 242.322 2.556 20 0 BFADLO COC(C)(C)[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000300992329 173954855 /nfs/dbraw/zinc/95/48/55/173954855.db2.gz LTWNIQDRDXVRAL-JTQLQIEISA-N 1 2 208.305 2.615 20 0 BFADLO COCCCCCNc1[nH+]ccc(C)c1Cl ZINC000336752069 174179269 /nfs/dbraw/zinc/17/92/69/174179269.db2.gz DERPGLJTFNELQC-UHFFFAOYSA-N 1 2 242.750 2.694 20 0 BFADLO COCCCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000265399681 174184257 /nfs/dbraw/zinc/18/42/57/174184257.db2.gz XRJPWONMEMCLKO-UHFFFAOYSA-N 1 2 249.358 2.891 20 0 BFADLO COCCC[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309430141 174264014 /nfs/dbraw/zinc/26/40/14/174264014.db2.gz FZRLIJPHDDYWMD-WPRPVWTQSA-N 1 2 239.281 2.732 20 0 BFADLO COCC[N@H+](CC(F)F)CC1CCCCC1 ZINC000103486179 174287857 /nfs/dbraw/zinc/28/78/57/174287857.db2.gz YSBBNWOYJVOQLN-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COCC[N@@H+](CC(F)F)CC1CCCCC1 ZINC000103486179 174287858 /nfs/dbraw/zinc/28/78/58/174287858.db2.gz YSBBNWOYJVOQLN-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COCCN(C[C@@H]1CC=CCC1)c1cccc[nH+]1 ZINC000302688514 174297215 /nfs/dbraw/zinc/29/72/15/174297215.db2.gz BRNDMWDSALROAO-CQSZACIVSA-N 1 2 246.354 2.891 20 0 BFADLO COCCNc1[nH+]c2ccccc2cc1C ZINC000063105575 174342660 /nfs/dbraw/zinc/34/26/60/174342660.db2.gz FTTMZQJUIALEIY-UHFFFAOYSA-N 1 2 216.284 2.602 20 0 BFADLO COCCOc1cc(C)ccc1[NH2+]CC1CC1 ZINC000037779063 174367701 /nfs/dbraw/zinc/36/77/01/174367701.db2.gz GHHQXLOGSIZCOW-UHFFFAOYSA-N 1 2 235.327 2.842 20 0 BFADLO COCCOc1ccc([NH2+]CC(C)C)cc1 ZINC000037106121 174368799 /nfs/dbraw/zinc/36/87/99/174368799.db2.gz OKNXFLWQCHIJSI-UHFFFAOYSA-N 1 2 223.316 2.780 20 0 BFADLO COCCOc1ccc([NH2+][C@@H](C)C2CC2)cc1 ZINC000037106202 174368895 /nfs/dbraw/zinc/36/88/95/174368895.db2.gz VHFLPOJLAHNMTB-NSHDSACASA-N 1 2 235.327 2.922 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(OC)cc1C ZINC000061566828 174386610 /nfs/dbraw/zinc/38/66/10/174386610.db2.gz YHTLWJPNKQBTSD-LLVKDONJSA-N 1 2 223.316 2.841 20 0 BFADLO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(F)(F)F ZINC000309986088 174397763 /nfs/dbraw/zinc/39/77/63/174397763.db2.gz YGPYCABTXISJJX-LPEHRKFASA-N 1 2 239.281 2.732 20 0 BFADLO CO[C@@H](C)[C@@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000353608658 174712354 /nfs/dbraw/zinc/71/23/54/174712354.db2.gz JAIOUSJGRQUHGL-MNOVXSKESA-N 1 2 243.297 2.791 20 0 BFADLO COc1cc(NCc2[nH+]ccn2C)c(C)cc1C ZINC000280383770 175003368 /nfs/dbraw/zinc/00/33/68/175003368.db2.gz WIIZKMQGIMZINR-UHFFFAOYSA-N 1 2 245.326 2.658 20 0 BFADLO COc1ccc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000131525891 175103312 /nfs/dbraw/zinc/10/33/12/175103312.db2.gz KJNOZRRIKMUASD-UHFFFAOYSA-N 1 2 240.306 2.606 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)c(C)c1 ZINC000165617054 175152885 /nfs/dbraw/zinc/15/28/85/175152885.db2.gz IUISQCJCPXNCMY-RYUDHWBXSA-N 1 2 235.327 2.841 20 0 BFADLO COc1ccc([NH2+][C@@H](C)C2CC2)c(OC)c1 ZINC000019903415 175153263 /nfs/dbraw/zinc/15/32/63/175153263.db2.gz SQLLSIMWNPPIBI-VIFPVBQESA-N 1 2 221.300 2.914 20 0 BFADLO COc1ccc([NH2+][C@@H]2CCSC2)c(OC)c1 ZINC000019903341 175154335 /nfs/dbraw/zinc/15/43/35/175154335.db2.gz APPRBPINCNIMNA-SECBINFHSA-N 1 2 239.340 2.621 20 0 BFADLO COc1ccc(SCc2c[nH+]cn2C)cc1 ZINC000267125346 175174970 /nfs/dbraw/zinc/17/49/70/175174970.db2.gz BLOQDNATUGZTGY-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000668293207 487630288 /nfs/dbraw/zinc/63/02/88/487630288.db2.gz VZVYCMPCHQHSLE-AGIUHOORSA-N 1 2 232.327 2.829 20 0 BFADLO COc1ccc2[nH+]c(NC[C@@H](C)OC)ccc2c1 ZINC000302690149 175229407 /nfs/dbraw/zinc/22/94/07/175229407.db2.gz VBKBIFXEEBDGNZ-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO COc1cccc(SCc2c[nH+]cn2C)c1 ZINC000267129391 175285513 /nfs/dbraw/zinc/28/55/13/175285513.db2.gz GWDJSKUUXJHEMG-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO COc1ccccc1/C=C\C[NH2+]CC(F)F ZINC000309893734 175315270 /nfs/dbraw/zinc/31/52/70/175315270.db2.gz DWOLQFLOCGKHMD-XQRVVYSFSA-N 1 2 227.254 2.563 20 0 BFADLO COc1ccccc1C(=O)Nc1cc[nH+]cc1C ZINC000107288716 175319029 /nfs/dbraw/zinc/31/90/29/175319029.db2.gz RFFWOZVLSQUMOW-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000271946647 175352304 /nfs/dbraw/zinc/35/23/04/175352304.db2.gz AUFMEIPVVHKNMP-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1cc[nH+]cc1COc1ccc(F)cc1 ZINC000310380463 175372809 /nfs/dbraw/zinc/37/28/09/175372809.db2.gz PJQAWDIQDWJLQZ-UHFFFAOYSA-N 1 2 233.242 2.808 20 0 BFADLO COc1cc[nH+]cc1COC(=O)CC1CCCC1 ZINC000288772460 175372859 /nfs/dbraw/zinc/37/28/59/175372859.db2.gz RNZNGDHFFCSUFV-UHFFFAOYSA-N 1 2 249.310 2.714 20 0 BFADLO COc1cc[nH+]cc1CSCc1ccon1 ZINC000289410047 175373268 /nfs/dbraw/zinc/37/32/68/175373268.db2.gz OKQFBKSSMKQTGW-UHFFFAOYSA-N 1 2 236.296 2.512 20 0 BFADLO COc1cc[nH+]cc1NC(=O)CCCC(C)C ZINC000294435024 175375177 /nfs/dbraw/zinc/37/51/77/175375177.db2.gz FYZOKNADCDOKMI-UHFFFAOYSA-N 1 2 236.315 2.855 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@]1(C)CC=CCC1 ZINC000336237929 175375466 /nfs/dbraw/zinc/37/54/66/175375466.db2.gz DGVSOBPWZLRWDI-AWEZNQCLSA-N 1 2 246.310 2.775 20 0 BFADLO COc1cc[nH+]cc1NC(=O)c1sccc1C ZINC000336364621 175376324 /nfs/dbraw/zinc/37/63/24/175376324.db2.gz FLYWVFAEKXNRBG-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO COc1ccsc1C[N@@H+]1CCC=C(F)C1 ZINC000272873911 175377073 /nfs/dbraw/zinc/37/70/73/175377073.db2.gz WRQKRLTURYNLSW-UHFFFAOYSA-N 1 2 227.304 2.816 20 0 BFADLO COc1ccsc1C[N@H+]1CCC=C(F)C1 ZINC000272873911 175377078 /nfs/dbraw/zinc/37/70/78/175377078.db2.gz WRQKRLTURYNLSW-UHFFFAOYSA-N 1 2 227.304 2.816 20 0 BFADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(F)cc1F ZINC000036952885 175897544 /nfs/dbraw/zinc/89/75/44/175897544.db2.gz KXNODDIZJIINCS-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccn(C)n1 ZINC000270771347 176015752 /nfs/dbraw/zinc/01/57/52/176015752.db2.gz HUNCIZQAIQJXAG-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccn(C)n1 ZINC000270771347 176015754 /nfs/dbraw/zinc/01/57/54/176015754.db2.gz HUNCIZQAIQJXAG-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1cnns1 ZINC000290118296 176020056 /nfs/dbraw/zinc/02/00/56/176020056.db2.gz UAGYZGFFIPEZGD-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cnns1 ZINC000290118296 176020057 /nfs/dbraw/zinc/02/00/57/176020057.db2.gz UAGYZGFFIPEZGD-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1ccccc1F)N(C)Cc1[nH+]ccn1C ZINC000299603390 176025601 /nfs/dbraw/zinc/02/56/01/176025601.db2.gz NBECZFOKBJJPNF-NSHDSACASA-N 1 2 247.317 2.752 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cocn1)C1CC1 ZINC000191936885 176032729 /nfs/dbraw/zinc/03/27/29/176032729.db2.gz CIMZLSUHSMRNCF-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cocn1)C1CC1 ZINC000191936885 176032731 /nfs/dbraw/zinc/03/27/31/176032731.db2.gz CIMZLSUHSMRNCF-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1ccno1)C1CC1 ZINC000267924215 176033606 /nfs/dbraw/zinc/03/36/06/176033606.db2.gz JXQWWEPABQNZKV-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1ccno1)C1CC1 ZINC000267924215 176033607 /nfs/dbraw/zinc/03/36/07/176033607.db2.gz JXQWWEPABQNZKV-JTQLQIEISA-N 1 2 232.283 2.993 20 0 BFADLO C[C@@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000336425211 176111393 /nfs/dbraw/zinc/11/13/93/176111393.db2.gz JKFNNRPVNIXTDY-SNVBAGLBSA-N 1 2 213.284 2.619 20 0 BFADLO C[C@@H]1CCC[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC000043569566 176125378 /nfs/dbraw/zinc/12/53/78/176125378.db2.gz VKICXTFRKMZXBE-MWLCHTKSSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@@H]1CCC[C@@H](c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000278212872 176126009 /nfs/dbraw/zinc/12/60/09/176126009.db2.gz WJISWZFYHXJRDW-GHMZBOCLSA-N 1 2 246.314 2.608 20 0 BFADLO C[C@@H]1CCC[C@H](N(C)c2cc(CO)cc[nH+]2)C1 ZINC000042494328 176140636 /nfs/dbraw/zinc/14/06/36/176140636.db2.gz MZVXCCRZRQRDGB-YPMHNXCESA-N 1 2 234.343 2.589 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1c1cc(NCC2CC2)[nH+]cn1 ZINC000301916973 176200352 /nfs/dbraw/zinc/20/03/52/176200352.db2.gz VWFCOYDPMIBBKR-GHMZBOCLSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CC[C@@H](C)N1c1cc(NCC2CC2)nc[nH+]1 ZINC000301916973 176200355 /nfs/dbraw/zinc/20/03/55/176200355.db2.gz VWFCOYDPMIBBKR-GHMZBOCLSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1C[N@H+](CCSc2ccccc2)CCC1=O ZINC000168897534 176293171 /nfs/dbraw/zinc/29/31/71/176293171.db2.gz KNOSTBCWTVSTKP-GFCCVEGCSA-N 1 2 249.379 2.690 20 0 BFADLO C[C@@H]1C[N@@H+](CCSc2ccccc2)CCC1=O ZINC000168897534 176293172 /nfs/dbraw/zinc/29/31/72/176293172.db2.gz KNOSTBCWTVSTKP-GFCCVEGCSA-N 1 2 249.379 2.690 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nc(-c3cccs3)no2)[C@@H]1C ZINC000293003308 176310065 /nfs/dbraw/zinc/31/00/65/176310065.db2.gz NFUULZHUAULOMQ-RKDXNWHRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccs3)no2)[C@@H]1C ZINC000293003308 176310066 /nfs/dbraw/zinc/31/00/66/176310066.db2.gz NFUULZHUAULOMQ-RKDXNWHRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)[C@@H]1C ZINC000293559013 176312917 /nfs/dbraw/zinc/31/29/17/176312917.db2.gz ZYFSYGAQHIAADR-GHMZBOCLSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)[C@@H]1C ZINC000293559013 176312918 /nfs/dbraw/zinc/31/29/18/176312918.db2.gz ZYFSYGAQHIAADR-GHMZBOCLSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000251653101 176316289 /nfs/dbraw/zinc/31/62/89/176316289.db2.gz GNHINBPWBJPMRQ-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000251653101 176316290 /nfs/dbraw/zinc/31/62/90/176316290.db2.gz GNHINBPWBJPMRQ-GHMZBOCLSA-N 1 2 235.302 2.798 20 0 BFADLO C[C@@H]1COCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000195073349 176342336 /nfs/dbraw/zinc/34/23/36/176342336.db2.gz SCPVNDDQAQETHX-RISCZKNCSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1COCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000195073349 176342338 /nfs/dbraw/zinc/34/23/38/176342338.db2.gz SCPVNDDQAQETHX-RISCZKNCSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268257 176398049 /nfs/dbraw/zinc/39/80/49/176398049.db2.gz RAQIBUTVUKRMAJ-RAIGVLPGSA-N 1 2 248.374 2.672 20 0 BFADLO C[C@H](c1ccccc1)[N@H+](C)Cc1csnn1 ZINC000179702047 177039229 /nfs/dbraw/zinc/03/92/29/177039229.db2.gz FVRCQMWKWZHAAQ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1csnn1 ZINC000179702047 177039231 /nfs/dbraw/zinc/03/92/31/177039231.db2.gz FVRCQMWKWZHAAQ-SNVBAGLBSA-N 1 2 233.340 2.731 20 0 BFADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccnn1C ZINC000129728711 177042042 /nfs/dbraw/zinc/04/20/42/177042042.db2.gz NGLIFERHMJCGIT-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccnn1C ZINC000129728711 177042043 /nfs/dbraw/zinc/04/20/43/177042043.db2.gz NGLIFERHMJCGIT-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1ccco1)[N@H+](C)Cc1cncs1 ZINC000131044871 177047496 /nfs/dbraw/zinc/04/74/96/177047496.db2.gz FTJVOHDQTRHZQN-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cncs1 ZINC000131044871 177047498 /nfs/dbraw/zinc/04/74/98/177047498.db2.gz FTJVOHDQTRHZQN-SECBINFHSA-N 1 2 222.313 2.929 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1ccn(C)n1 ZINC000270833129 177049179 /nfs/dbraw/zinc/04/91/79/177049179.db2.gz UAOPEJBNPVGUEU-SNVBAGLBSA-N 1 2 235.356 2.675 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1ccn(C)n1 ZINC000270833129 177049181 /nfs/dbraw/zinc/04/91/81/177049181.db2.gz UAOPEJBNPVGUEU-SNVBAGLBSA-N 1 2 235.356 2.675 20 0 BFADLO C[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000264714175 177105518 /nfs/dbraw/zinc/10/55/18/177105518.db2.gz TWEMTLSFAHDVSC-NSHDSACASA-N 1 2 231.343 2.980 20 0 BFADLO C[C@H]1CCC[C@@H](N(C)c2cc(CO)cc[nH+]2)C1 ZINC000042494334 177121651 /nfs/dbraw/zinc/12/16/51/177121651.db2.gz MZVXCCRZRQRDGB-WCQYABFASA-N 1 2 234.343 2.589 20 0 BFADLO C[C@H]1CCC[C@@H](Oc2cc(N)cc[nH+]2)C1 ZINC000043569567 177123635 /nfs/dbraw/zinc/12/36/35/177123635.db2.gz VKICXTFRKMZXBE-GXSJLCMTSA-N 1 2 206.289 2.621 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1cc[nH+]c(C2CC2)n1 ZINC000301496386 177172222 /nfs/dbraw/zinc/17/22/22/177172222.db2.gz TYWSYLPRAMQLGF-VHSXEESVSA-N 1 2 217.316 2.589 20 0 BFADLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000053157676 177264320 /nfs/dbraw/zinc/26/43/20/177264320.db2.gz RDYGUESFXUGECE-JTQLQIEISA-N 1 2 237.730 2.751 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC1=O ZINC000053157676 177264321 /nfs/dbraw/zinc/26/43/21/177264321.db2.gz RDYGUESFXUGECE-JTQLQIEISA-N 1 2 237.730 2.751 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1Cl ZINC000045784344 177266513 /nfs/dbraw/zinc/26/65/13/177266513.db2.gz QLKQXIFYAJFKEJ-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1Cl ZINC000045784344 177266516 /nfs/dbraw/zinc/26/65/16/177266516.db2.gz QLKQXIFYAJFKEJ-MNOVXSKESA-N 1 2 239.746 2.949 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1noc(-c2ccccc2)n1 ZINC000293559018 177271926 /nfs/dbraw/zinc/27/19/26/177271926.db2.gz ZYFSYGAQHIAADR-WDEREUQCSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1noc(-c2ccccc2)n1 ZINC000293559018 177271929 /nfs/dbraw/zinc/27/19/29/177271929.db2.gz ZYFSYGAQHIAADR-WDEREUQCSA-N 1 2 243.310 2.577 20 0 BFADLO C[C@H](c1csnn1)[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336254029 177275926 /nfs/dbraw/zinc/27/59/26/177275926.db2.gz IVRPUHZKMYLMQL-JGVFFNPUSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@H](c1csnn1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336254029 177275927 /nfs/dbraw/zinc/27/59/27/177275927.db2.gz IVRPUHZKMYLMQL-JGVFFNPUSA-N 1 2 247.314 2.576 20 0 BFADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC(C)(C)O1 ZINC000134906069 177278592 /nfs/dbraw/zinc/27/85/92/177278592.db2.gz XDKKNTBQRINKIJ-JTQLQIEISA-N 1 2 245.326 2.567 20 0 BFADLO C[C@H]1COCC[N@@H+]1Cc1sccc1Cl ZINC000278496723 177293726 /nfs/dbraw/zinc/29/37/26/177293726.db2.gz UVYLSCGEGBYHCR-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@H]1COCC[N@H+]1Cc1sccc1Cl ZINC000278496723 177293727 /nfs/dbraw/zinc/29/37/27/177293727.db2.gz UVYLSCGEGBYHCR-QMMMGPOBSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1cc(NCC2CC2)[nH+]cn1 ZINC000340021498 177319538 /nfs/dbraw/zinc/31/95/38/177319538.db2.gz UCMQACHIVGXKRW-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1cc(NCC2CC2)nc[nH+]1 ZINC000340021498 177319539 /nfs/dbraw/zinc/31/95/39/177319539.db2.gz UCMQACHIVGXKRW-WDEREUQCSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@H]1C[C@@H](CCNc2cccc[nH+]2)CCO1 ZINC000273180753 177324002 /nfs/dbraw/zinc/32/40/02/177324002.db2.gz PZAWBRFJSDYXRR-RYUDHWBXSA-N 1 2 220.316 2.699 20 0 BFADLO C[C@H]1C[C@@H](Nc2cc[nH+]c3ccncc23)CCO1 ZINC000271392223 177334361 /nfs/dbraw/zinc/33/43/61/177334361.db2.gz MBIBCGLRBOGFEI-QWRGUYRKSA-N 1 2 243.310 2.609 20 0 BFADLO C[C@H]1C[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000277045194 177345563 /nfs/dbraw/zinc/34/55/63/177345563.db2.gz GGBOPXYSURSZQP-VHSXEESVSA-N 1 2 213.284 2.698 20 0 BFADLO C[C@H]1C[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000277045192 177382535 /nfs/dbraw/zinc/38/25/35/177382535.db2.gz GGBOPXYSURSZQP-UWVGGRQHSA-N 1 2 213.284 2.698 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)s1 ZINC000668845497 487643449 /nfs/dbraw/zinc/64/34/49/487643449.db2.gz WGTNEKCSTYAMTO-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO Cc1ccc(C[N@H+]2CCCc3[nH]ncc3C2)s1 ZINC000668845497 487643453 /nfs/dbraw/zinc/64/34/53/487643453.db2.gz WGTNEKCSTYAMTO-UHFFFAOYSA-N 1 2 247.367 2.728 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000488321935 225370585 /nfs/dbraw/zinc/37/05/85/225370585.db2.gz QKBYKMFTOFTSKX-NWDGAFQWSA-N 1 2 227.311 2.940 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000488321934 225371391 /nfs/dbraw/zinc/37/13/91/225371391.db2.gz QKBYKMFTOFTSKX-NEPJUHHUSA-N 1 2 227.311 2.940 20 0 BFADLO Cc1cc(NC(=O)C=Cc2ccsc2)cc[nH+]1 ZINC000491827158 225851023 /nfs/dbraw/zinc/85/10/23/225851023.db2.gz DDSBVVBHBIVWTI-IHWYPQMZSA-N 1 2 244.319 2.525 20 0 BFADLO C=Cc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000557048313 322933644 /nfs/dbraw/zinc/93/36/44/322933644.db2.gz VBABFSNAYNRNRN-SNVBAGLBSA-N 1 2 241.294 2.544 20 0 BFADLO Cc1ccc(NC(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000492870974 226071966 /nfs/dbraw/zinc/07/19/66/226071966.db2.gz WSRVAUISPPDZQQ-SNAWJCMRSA-N 1 2 245.257 2.509 20 0 BFADLO O=C(/C=C/c1[nH]cc[nH+]1)NCC1CCCCCC1 ZINC000493257487 226167533 /nfs/dbraw/zinc/16/75/33/226167533.db2.gz LYXIQPREBPTSLL-BQYQJAHWSA-N 1 2 247.342 2.510 20 0 BFADLO Cc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1C ZINC000493560884 226243498 /nfs/dbraw/zinc/24/34/98/226243498.db2.gz SFRNRYXVMUOBGW-VOTSOKGWSA-N 1 2 241.294 2.678 20 0 BFADLO C[C@@H](CCC(C)(C)C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493821965 226255907 /nfs/dbraw/zinc/25/59/07/226255907.db2.gz MPGPTPXMHTXVDA-QRGHLMKCSA-N 1 2 249.358 2.754 20 0 BFADLO C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000494219926 226262503 /nfs/dbraw/zinc/26/25/03/226262503.db2.gz MWZZKEQGHBPPSM-NWDGAFQWSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000494219926 226262504 /nfs/dbraw/zinc/26/25/04/226262504.db2.gz MWZZKEQGHBPPSM-NWDGAFQWSA-N 1 2 247.329 2.923 20 0 BFADLO CC[C@H](C)CSc1cc(-n2cc[nH+]c2)ncn1 ZINC000674934602 487658615 /nfs/dbraw/zinc/65/86/15/487658615.db2.gz RJCLBQMNLKTUIH-JTQLQIEISA-N 1 2 248.355 2.801 20 0 BFADLO C/C(=C\Cl)CSCc1cn(C)c[nH+]1 ZINC000882162014 583596725 /nfs/dbraw/zinc/59/67/25/583596725.db2.gz RLRQQOQZRUMNAP-FPYGCLRLSA-N 1 2 216.737 2.796 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(F)F ZINC000228493063 487662743 /nfs/dbraw/zinc/66/27/43/487662743.db2.gz YDZJHRJUZCHYLF-JGVFFNPUSA-N 1 2 243.253 2.720 20 0 BFADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228516066 487669763 /nfs/dbraw/zinc/66/97/63/487669763.db2.gz FDIUTHOVLXLHMH-BDAKNGLRSA-N 1 2 229.270 2.999 20 0 BFADLO COc1cc(C)ccc1[NH2+]CC[C@H]1CCOC1 ZINC000400689075 533684146 /nfs/dbraw/zinc/68/41/46/533684146.db2.gz LRIFWVXZYXKQDY-LBPRGKRZSA-N 1 2 235.327 2.842 20 0 BFADLO Cc1cc(NCC(C)(C)[C@H]2CCCCO2)nc[nH+]1 ZINC000675154400 487676305 /nfs/dbraw/zinc/67/63/05/487676305.db2.gz HEVLXZXHPYVWNF-GFCCVEGCSA-N 1 2 249.358 2.792 20 0 BFADLO COc1ccc[nH+]c1NCCC1CC(F)(F)C1 ZINC000528032605 262904208 /nfs/dbraw/zinc/90/42/08/262904208.db2.gz DDWAOBSQCVKRQC-UHFFFAOYSA-N 1 2 242.269 2.938 20 0 BFADLO Cc1cc(NC(=O)C2CCCC2)cc[nH+]1 ZINC000074932061 262923943 /nfs/dbraw/zinc/92/39/43/262923943.db2.gz BSFPUEYOFNDPJQ-UHFFFAOYSA-N 1 2 204.273 2.519 20 0 BFADLO CCc1nc(C(C)(C)[NH2+]C/C=C(\C)Cl)no1 ZINC000528489748 262953007 /nfs/dbraw/zinc/95/30/07/262953007.db2.gz GDWQBEJDOVNUDH-SOFGYWHQSA-N 1 2 243.738 2.599 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1[C@@H]1C=CCCC1 ZINC000671715168 487703639 /nfs/dbraw/zinc/70/36/39/487703639.db2.gz QXCGGRFPJNTXTD-MXWKQRLJSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1[C@@H]1C=CCCC1 ZINC000671715168 487703645 /nfs/dbraw/zinc/70/36/45/487703645.db2.gz QXCGGRFPJNTXTD-MXWKQRLJSA-N 1 2 249.276 2.747 20 0 BFADLO c1cn(CCSc2ccc3c(c2)CCO3)c[nH+]1 ZINC000665687259 487729358 /nfs/dbraw/zinc/72/93/58/487729358.db2.gz HPQFTBKVJYLNRJ-UHFFFAOYSA-N 1 2 246.335 2.610 20 0 BFADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000736620963 585008315 /nfs/dbraw/zinc/00/83/15/585008315.db2.gz YXOOJEGJBFRCNZ-QMMMGPOBSA-N 1 2 225.229 2.761 20 0 BFADLO FC(F)C(F)(F)C[N@H+]1CCC[C@H]1C1CC1 ZINC000736620963 585008316 /nfs/dbraw/zinc/00/83/16/585008316.db2.gz YXOOJEGJBFRCNZ-QMMMGPOBSA-N 1 2 225.229 2.761 20 0 BFADLO FC1(F)CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000675638348 487757396 /nfs/dbraw/zinc/75/73/96/487757396.db2.gz DCWSGUNHAJQYJA-SECBINFHSA-N 1 2 239.269 2.954 20 0 BFADLO C[C@H]1C[C@H](Nc2c[nH+]cc3c2CCCC3)CCO1 ZINC000668440949 487758870 /nfs/dbraw/zinc/75/88/70/487758870.db2.gz ROKLRTHUPQXHQP-WCQYABFASA-N 1 2 246.354 2.940 20 0 BFADLO c1[nH+]cc(NC2CCOCC2)c2c1CCCC2 ZINC000668440301 487759127 /nfs/dbraw/zinc/75/91/27/487759127.db2.gz KZOTZYZFFUMLNN-UHFFFAOYSA-N 1 2 232.327 2.551 20 0 BFADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cn[nH]c2)cs1 ZINC000681495283 487806613 /nfs/dbraw/zinc/80/66/13/487806613.db2.gz XWOPEZJEDPBQNZ-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc([C@H]2CCC[N@H+]2Cc2cn[nH]c2)cs1 ZINC000681495283 487806619 /nfs/dbraw/zinc/80/66/19/487806619.db2.gz XWOPEZJEDPBQNZ-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnc[nH]2)c(C)c1 ZINC000681508853 487807515 /nfs/dbraw/zinc/80/75/15/487807515.db2.gz ZCGRXBHHUOJEGF-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnc[nH]2)c(C)c1 ZINC000681508853 487807518 /nfs/dbraw/zinc/80/75/18/487807518.db2.gz ZCGRXBHHUOJEGF-UHFFFAOYSA-N 1 2 229.327 2.659 20 0 BFADLO CCC(C)(C)[C@@H](C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000666492944 487820764 /nfs/dbraw/zinc/82/07/64/487820764.db2.gz YKZDTXYZXZSFEK-LLVKDONJSA-N 1 2 249.358 2.758 20 0 BFADLO Fc1ccccc1C[NH+]1CC(C(F)F)C1 ZINC000676222701 487822797 /nfs/dbraw/zinc/82/27/97/487822797.db2.gz ZMSQWRDXIDTPNZ-UHFFFAOYSA-N 1 2 215.218 2.523 20 0 BFADLO CC1=CC[N@@H+](Cc2nc(Cl)cs2)CC1 ZINC000876748780 590237028 /nfs/dbraw/zinc/23/70/28/590237028.db2.gz FPHNFKGBJLMNDP-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1C=CCCC1 ZINC000121362536 487855828 /nfs/dbraw/zinc/85/58/28/487855828.db2.gz ZUJYYECVNYZYFM-LLVKDONJSA-N 1 2 231.299 2.620 20 0 BFADLO CN(C)c1ccc(NCc2ccsc2)[nH+]c1 ZINC000124573604 322956571 /nfs/dbraw/zinc/95/65/71/322956571.db2.gz MPXBTASLZXGVLX-UHFFFAOYSA-N 1 2 233.340 2.821 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@H](C)CO1 ZINC000651931241 487869152 /nfs/dbraw/zinc/86/91/52/487869152.db2.gz OLUQFZVPGGVCNX-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@H](C)CO1 ZINC000651931241 487869159 /nfs/dbraw/zinc/86/91/59/487869159.db2.gz OLUQFZVPGGVCNX-NXEZZACHSA-N 1 2 243.734 2.932 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@]12C[C@@H]1CCC2 ZINC000667062491 487919336 /nfs/dbraw/zinc/91/93/36/487919336.db2.gz GFJKWCAXIJTHSV-FZMZJTMJSA-N 1 2 245.326 2.763 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCC23CCC3)c1 ZINC000652330979 487921139 /nfs/dbraw/zinc/92/11/39/487921139.db2.gz ULAVSRNSLOJGIP-LBPRGKRZSA-N 1 2 232.327 2.973 20 0 BFADLO Cc1c[nH+]c(C)c(NCc2ccn(C)c2)c1 ZINC000404583497 487928124 /nfs/dbraw/zinc/92/81/24/487928124.db2.gz RXOTZIHLCWNNCS-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO C[C@@H](c1ccccc1F)[N@@H+]1CCc2c[nH]nc2C1 ZINC000676792586 487929354 /nfs/dbraw/zinc/92/93/54/487929354.db2.gz DXMZYBWEHKGFRQ-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@@H](c1ccccc1F)[N@H+]1CCc2c[nH]nc2C1 ZINC000676792586 487929356 /nfs/dbraw/zinc/92/93/56/487929356.db2.gz DXMZYBWEHKGFRQ-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO CCOCCC1(CNc2cc(CC)[nH+]cn2)CC1 ZINC000676878731 487939814 /nfs/dbraw/zinc/93/98/14/487939814.db2.gz DYUPIPCRAYOECP-UHFFFAOYSA-N 1 2 249.358 2.658 20 0 BFADLO Cc1nnc([C@@H](C)[NH+]2CCC(F)(F)CC2)s1 ZINC000669935327 487939891 /nfs/dbraw/zinc/93/98/91/487939891.db2.gz MSSRYKBXIGXELA-SSDOTTSWSA-N 1 2 247.314 2.639 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1COC(C)(C)C1 ZINC000651980013 487942749 /nfs/dbraw/zinc/94/27/49/487942749.db2.gz WOKUJWUHQOHCCT-LLVKDONJSA-N 1 2 220.316 2.623 20 0 BFADLO Cc1cc(NC(=O)C2CC3(CCC3)C2)c(C)c[nH+]1 ZINC000564998363 322993766 /nfs/dbraw/zinc/99/37/66/322993766.db2.gz MQYWIOOJJQVQKL-UHFFFAOYSA-N 1 2 244.338 2.639 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)CCSC(C)C)n1 ZINC000569706542 323037926 /nfs/dbraw/zinc/03/79/26/323037926.db2.gz QBJGSEAPDWVBJZ-SECBINFHSA-N 1 2 243.376 2.512 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)CCSC(C)C)n1 ZINC000569706542 323037927 /nfs/dbraw/zinc/03/79/27/323037927.db2.gz QBJGSEAPDWVBJZ-SECBINFHSA-N 1 2 243.376 2.512 20 0 BFADLO COc1ccc([C@H](C)C[N@H+](C)CC(F)F)cc1 ZINC000540506430 323085041 /nfs/dbraw/zinc/08/50/41/323085041.db2.gz GSQOVLLFECWYAX-SNVBAGLBSA-N 1 2 243.297 2.996 20 0 BFADLO COc1ccc([C@H](C)C[N@@H+](C)CC(F)F)cc1 ZINC000540506430 323085042 /nfs/dbraw/zinc/08/50/42/323085042.db2.gz GSQOVLLFECWYAX-SNVBAGLBSA-N 1 2 243.297 2.996 20 0 BFADLO C/C=C/C=C/C(=O)Nc1c(C)cc[nH+]c1C ZINC000493857890 323087538 /nfs/dbraw/zinc/08/75/38/323087538.db2.gz QXQIGLYWRHNGLV-YTXTXJHMSA-N 1 2 216.284 2.769 20 0 BFADLO CCc1cccc(C[NH2+]Cc2cn[nH]c2C)c1 ZINC000563252765 323106800 /nfs/dbraw/zinc/10/68/00/323106800.db2.gz VOGHPHBOWKATFA-UHFFFAOYSA-N 1 2 229.327 2.570 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000563284186 323108345 /nfs/dbraw/zinc/10/83/45/323108345.db2.gz RUHZINACIYDGLP-GHMZBOCLSA-N 1 2 249.358 2.506 20 0 BFADLO CCC(C)(CC)NC(=O)Nc1cc(C)[nH+]cc1C ZINC000534324845 323116597 /nfs/dbraw/zinc/11/65/97/323116597.db2.gz LKEJNSBQUBGJPJ-UHFFFAOYSA-N 1 2 249.358 2.821 20 0 BFADLO CC(C)OC1CC[NH+](Cc2cscn2)CC1 ZINC000534343347 323117302 /nfs/dbraw/zinc/11/73/02/323117302.db2.gz PMHBICKQQLWBKO-UHFFFAOYSA-N 1 2 240.372 2.533 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2cscn2)n1 ZINC000161159358 323149487 /nfs/dbraw/zinc/14/94/87/323149487.db2.gz NQLMUOZNPFSKJW-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccoc1 ZINC000531949285 323156291 /nfs/dbraw/zinc/15/62/91/323156291.db2.gz BDXKKDOSAVDVPX-SECBINFHSA-N 1 2 247.323 2.840 20 0 BFADLO Cc1cc(NC(=O)C2C(C)(C)C2(C)C)c(C)c[nH+]1 ZINC000535748583 323190223 /nfs/dbraw/zinc/19/02/23/323190223.db2.gz LZNPMDYATOAMQZ-UHFFFAOYSA-N 1 2 246.354 2.741 20 0 BFADLO CCC1(NC(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000535773025 323190819 /nfs/dbraw/zinc/19/08/19/323190819.db2.gz XWIUUSNHDDYNBQ-UHFFFAOYSA-N 1 2 247.342 2.575 20 0 BFADLO Cc1cc(NC(=O)c2ccccc2C)c(C)c[nH+]1 ZINC000536574989 323198052 /nfs/dbraw/zinc/19/80/52/323198052.db2.gz NQHYLWAXAGJIJP-UHFFFAOYSA-N 1 2 240.306 2.681 20 0 BFADLO CC1=C(C(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000536575053 323198136 /nfs/dbraw/zinc/19/81/36/323198136.db2.gz KCZMTARMRPFPMU-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO Cc1cc(NC(=O)N2[C@H](C)CC[C@@H]2C)c(C)c[nH+]1 ZINC000536618283 323198627 /nfs/dbraw/zinc/19/86/27/323198627.db2.gz CJRQZERSEKPJOW-TXEJJXNPSA-N 1 2 247.342 2.525 20 0 BFADLO CCN(C(=O)Nc1cc(C)[nH+]cc1C)C1CCC1 ZINC000536619474 323198767 /nfs/dbraw/zinc/19/87/67/323198767.db2.gz ILLYWCPSJLTUMA-UHFFFAOYSA-N 1 2 247.342 2.527 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ccon2)s1 ZINC000536669067 323200409 /nfs/dbraw/zinc/20/04/09/323200409.db2.gz QHYXCHREVXRERQ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ccon2)s1 ZINC000536669067 323200410 /nfs/dbraw/zinc/20/04/10/323200410.db2.gz QHYXCHREVXRERQ-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)C)n1)CC(C)C ZINC000054316782 323204157 /nfs/dbraw/zinc/20/41/57/323204157.db2.gz GRWPPANQSKYRSQ-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO CC[N@H+](Cc1noc(C(C)C)n1)CC(C)C ZINC000054316782 323204158 /nfs/dbraw/zinc/20/41/58/323204158.db2.gz GRWPPANQSKYRSQ-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO Cc1ccc(NC(=O)NC2(C3CC3)CC2)c(C)[nH+]1 ZINC000532131123 323207193 /nfs/dbraw/zinc/20/71/93/323207193.db2.gz GIJIFXYLQGHSSV-UHFFFAOYSA-N 1 2 245.326 2.763 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)on1 ZINC000532232031 323210574 /nfs/dbraw/zinc/21/05/74/323210574.db2.gz JVXHYZWQLMYJGV-VIFPVBQESA-N 1 2 249.289 2.622 20 0 BFADLO C[C@@H](NC(=O)CC1CCCCCC1)c1[nH]cc[nH+]1 ZINC000162101779 323593894 /nfs/dbraw/zinc/59/38/94/323593894.db2.gz WWANYQAPFKLGSP-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO CC[C@]1(C)CCN(c2[nH+]cccc2OC)C1 ZINC000527922953 323729660 /nfs/dbraw/zinc/72/96/60/323729660.db2.gz ZAGRNBSEQMOEOB-CYBMUJFWSA-N 1 2 220.316 2.717 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000529622269 324365611 /nfs/dbraw/zinc/36/56/11/324365611.db2.gz NBTPMMYOZQANEK-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000529622269 324365616 /nfs/dbraw/zinc/36/56/16/324365616.db2.gz NBTPMMYOZQANEK-JTQLQIEISA-N 1 2 228.698 2.669 20 0 BFADLO CC[C@@H](C)CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000538971085 324817515 /nfs/dbraw/zinc/81/75/15/324817515.db2.gz KIRJSKTUASUWTQ-CYBMUJFWSA-N 1 2 247.386 2.952 20 0 BFADLO CC(C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000130014473 325004819 /nfs/dbraw/zinc/00/48/19/325004819.db2.gz SZFPXSKMWMFCMW-UHFFFAOYSA-N 1 2 219.332 2.892 20 0 BFADLO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccon1 ZINC000542707877 325042998 /nfs/dbraw/zinc/04/29/98/325042998.db2.gz IWNILELKVDJSOT-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000071013672 325050461 /nfs/dbraw/zinc/05/04/61/325050461.db2.gz VALHTGUNHQWFES-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO Cc1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)cc1 ZINC000071013672 325050465 /nfs/dbraw/zinc/05/04/65/325050465.db2.gz VALHTGUNHQWFES-UHFFFAOYSA-N 1 2 249.354 2.769 20 0 BFADLO COc1cc(C)[nH+]c(CSC[C@H](C)OC)c1 ZINC000542934119 325064393 /nfs/dbraw/zinc/06/43/93/325064393.db2.gz DNHVWSMXVKINKI-JTQLQIEISA-N 1 2 241.356 2.667 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)o1 ZINC000544513877 325145369 /nfs/dbraw/zinc/14/53/69/325145369.db2.gz UZJWHIICBVTCET-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)no1 ZINC000075768989 325311244 /nfs/dbraw/zinc/31/12/44/325311244.db2.gz PARMEZPUCXEDBM-RYUDHWBXSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)no1 ZINC000075768989 325311245 /nfs/dbraw/zinc/31/12/45/325311245.db2.gz PARMEZPUCXEDBM-RYUDHWBXSA-N 1 2 249.358 2.958 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000075768902 325311379 /nfs/dbraw/zinc/31/13/79/325311379.db2.gz KPVDYWMYJLTKQF-CMPLNLGQSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000075768902 325311382 /nfs/dbraw/zinc/31/13/82/325311382.db2.gz KPVDYWMYJLTKQF-CMPLNLGQSA-N 1 2 247.342 2.712 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC(C)(C)C2)no1 ZINC000076014781 325326157 /nfs/dbraw/zinc/32/61/57/325326157.db2.gz HULLBOFESIGWII-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC(C)(C)C2)no1 ZINC000076014781 325326161 /nfs/dbraw/zinc/32/61/61/325326161.db2.gz HULLBOFESIGWII-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO CCC[C@@H](C(=O)OCC)[NH+]1Cc2ccccc2C1 ZINC000077283171 325372501 /nfs/dbraw/zinc/37/25/01/325372501.db2.gz ZTOGNIZGWVBHSP-AWEZNQCLSA-N 1 2 247.338 2.734 20 0 BFADLO COc1cc([C@H](C)Nc2ccc(C)[nH+]c2)ccn1 ZINC000547728354 325389097 /nfs/dbraw/zinc/38/90/97/325389097.db2.gz BHTCOSACWDHPJK-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO CC[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1[nH]cc[nH+]1 ZINC000547750163 325391808 /nfs/dbraw/zinc/39/18/08/325391808.db2.gz GEDGDUVSSRXKAL-VXGBXAGGSA-N 1 2 247.342 2.723 20 0 BFADLO CO[C@H](C)c1nc(C[NH+]2[C@H](C)C[C@H]2C)cs1 ZINC000548425414 325456981 /nfs/dbraw/zinc/45/69/81/325456981.db2.gz GVXJACVYOVTWOP-OPRDCNLKSA-N 1 2 240.372 2.833 20 0 BFADLO C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1[nH]cc[nH+]1 ZINC000552065542 325593196 /nfs/dbraw/zinc/59/31/96/325593196.db2.gz DWYARPNRQUEDBQ-ZJUUUORDSA-N 1 2 245.330 2.750 20 0 BFADLO CCc1cc(C[NH2+][C@H](C)c2nccs2)on1 ZINC000091727606 325689030 /nfs/dbraw/zinc/68/90/30/325689030.db2.gz CTADDBFGXGTLLX-MRVPVSSYSA-N 1 2 237.328 2.544 20 0 BFADLO CCCOc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000564536343 325795088 /nfs/dbraw/zinc/79/50/88/325795088.db2.gz FORHWDPBPBVDLK-UHFFFAOYSA-N 1 2 231.299 2.811 20 0 BFADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)[C@@H]1CCCO1 ZINC000153199275 325921079 /nfs/dbraw/zinc/92/10/79/325921079.db2.gz PABXEPFPRXPBEN-NEPJUHHUSA-N 1 2 249.358 2.970 20 0 BFADLO Cc1nnc(CSCCc2cccc(C)[nH+]2)o1 ZINC000566239182 326021196 /nfs/dbraw/zinc/02/11/96/326021196.db2.gz XVLMPTWPEWMKOP-UHFFFAOYSA-N 1 2 249.339 2.557 20 0 BFADLO Cc1noc([C@H](C)[N@H+](C)CC2=CCCCC2)n1 ZINC000566419020 326043279 /nfs/dbraw/zinc/04/32/79/326043279.db2.gz NGBALMGTPKHXQS-JTQLQIEISA-N 1 2 235.331 2.871 20 0 BFADLO Cc1noc([C@H](C)[N@@H+](C)CC2=CCCCC2)n1 ZINC000566419020 326043281 /nfs/dbraw/zinc/04/32/81/326043281.db2.gz NGBALMGTPKHXQS-JTQLQIEISA-N 1 2 235.331 2.871 20 0 BFADLO CC[C@H]([NH2+][C@H](C)c1ccnc(OC)c1)C(F)F ZINC000566474405 326053637 /nfs/dbraw/zinc/05/36/37/326053637.db2.gz GANUVMFWLVRZSV-SCZZXKLOSA-N 1 2 244.285 2.785 20 0 BFADLO FC(F)(F)[C@@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000309561226 326160487 /nfs/dbraw/zinc/16/04/87/326160487.db2.gz JIQLLBQYAAOHKT-SFYZADRCSA-N 1 2 233.237 2.943 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCOCC1 ZINC000309883697 326173679 /nfs/dbraw/zinc/17/36/79/326173679.db2.gz WXTOFHVVLRYPME-WCBMZHEXSA-N 1 2 239.281 2.732 20 0 BFADLO COc1ccc[nH+]c1NCCCC1CC1 ZINC000157056899 326254668 /nfs/dbraw/zinc/25/46/68/326254668.db2.gz KKJDBZYKJYAGCO-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO CCCN(C(=O)c1ccc2[nH+]ccn2c1)C(C)C ZINC000568172275 326319776 /nfs/dbraw/zinc/31/97/76/326319776.db2.gz KOYWHZBDLBMTRP-UHFFFAOYSA-N 1 2 245.326 2.595 20 0 BFADLO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000568239735 326332878 /nfs/dbraw/zinc/33/28/78/326332878.db2.gz RWYXKHYWVZINKI-UWVGGRQHSA-N 1 2 248.355 2.653 20 0 BFADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccccc1 ZINC000158612412 326333351 /nfs/dbraw/zinc/33/33/51/326333351.db2.gz ILRGUUUQGFGFJS-CMDGGOBGSA-N 1 2 241.294 2.555 20 0 BFADLO C[C@@H]([NH2+]Cc1ccco1)c1cn2ccccc2n1 ZINC000568587333 326366274 /nfs/dbraw/zinc/36/62/74/326366274.db2.gz OUNQMQPGDQOTFH-LLVKDONJSA-N 1 2 241.294 2.778 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000568803624 326378078 /nfs/dbraw/zinc/37/80/78/326378078.db2.gz YWFCJXCNYUIXKY-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO O[C@H]1C[N@H+](CCCC2CCCC2)CC(F)(F)C1 ZINC000682549279 487987466 /nfs/dbraw/zinc/98/74/66/487987466.db2.gz WIGNHAYXKJZYJJ-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1C[N@@H+](CCCC2CCCC2)CC(F)(F)C1 ZINC000682549279 487987471 /nfs/dbraw/zinc/98/74/71/487987471.db2.gz WIGNHAYXKJZYJJ-GFCCVEGCSA-N 1 2 247.329 2.659 20 0 BFADLO CCc1cc(NCC2(C(F)(F)F)CC2)nc[nH+]1 ZINC000672329199 487995458 /nfs/dbraw/zinc/99/54/58/487995458.db2.gz BEUMRBYXRAMZCH-UHFFFAOYSA-N 1 2 245.248 2.793 20 0 BFADLO CCC[C@@H](C)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000672159038 487995727 /nfs/dbraw/zinc/99/57/27/487995727.db2.gz GRQOKXMXBMWYPN-LLVKDONJSA-N 1 2 234.347 2.677 20 0 BFADLO CCC[C@@H](C)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000672159038 487995733 /nfs/dbraw/zinc/99/57/33/487995733.db2.gz GRQOKXMXBMWYPN-LLVKDONJSA-N 1 2 234.347 2.677 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H](C)C2CCC2)[nH+]1 ZINC000677308649 488013140 /nfs/dbraw/zinc/01/31/40/488013140.db2.gz LCSBWDYIXROYTG-QMMMGPOBSA-N 1 2 230.315 2.867 20 0 BFADLO Cc1ccsc1C[NH2+][C@H](C)C(F)F ZINC000228517148 488019935 /nfs/dbraw/zinc/01/99/35/488019935.db2.gz HMXDWFLGAWALEA-SSDOTTSWSA-N 1 2 205.273 2.800 20 0 BFADLO Cc1cccc2[nH]c(C[N@@H+]3CCO[C@@H](C)C3)cc21 ZINC000667492528 488025415 /nfs/dbraw/zinc/02/54/15/488025415.db2.gz MDDLLCWXQXEIMZ-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1cccc2[nH]c(C[N@H+]3CCO[C@@H](C)C3)cc21 ZINC000667492528 488025419 /nfs/dbraw/zinc/02/54/19/488025419.db2.gz MDDLLCWXQXEIMZ-LBPRGKRZSA-N 1 2 244.338 2.697 20 0 BFADLO C=C/C(C)=C/CC(=O)Nc1c[nH+]ccc1OC ZINC000682829140 488049383 /nfs/dbraw/zinc/04/93/83/488049383.db2.gz BCWHBVRIFDSCLY-BJMVGYQFSA-N 1 2 232.283 2.551 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000674048079 488069929 /nfs/dbraw/zinc/06/99/29/488069929.db2.gz YLVMWULOOSAFQV-MFKMUULPSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1noc([C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000674048079 488069933 /nfs/dbraw/zinc/06/99/33/488069933.db2.gz YLVMWULOOSAFQV-MFKMUULPSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1noc([C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000674048078 488070475 /nfs/dbraw/zinc/07/04/75/488070475.db2.gz YLVMWULOOSAFQV-GXFFZTMASA-N 1 2 243.310 2.886 20 0 BFADLO Cc1noc([C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000674048078 488070479 /nfs/dbraw/zinc/07/04/79/488070479.db2.gz YLVMWULOOSAFQV-GXFFZTMASA-N 1 2 243.310 2.886 20 0 BFADLO CCC(CC)CNc1ccc(-n2cncn2)c[nH+]1 ZINC000682951243 488070743 /nfs/dbraw/zinc/07/07/43/488070743.db2.gz DYIFAMWNOHFOSA-UHFFFAOYSA-N 1 2 245.330 2.510 20 0 BFADLO C[C@@H]1OCC[C@H]1CSc1[nH+]cc2ccccn21 ZINC000631003896 488073533 /nfs/dbraw/zinc/07/35/33/488073533.db2.gz ARPIVMFOZFYUMZ-QWRGUYRKSA-N 1 2 248.351 2.851 20 0 BFADLO CCc1nocc1C[NH2+]Cc1ccc(Cl)o1 ZINC000393228196 488087951 /nfs/dbraw/zinc/08/79/51/488087951.db2.gz UYFHQGMGZYABLL-UHFFFAOYSA-N 1 2 240.690 2.773 20 0 BFADLO Cc1c[nH]nc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000685620251 488095246 /nfs/dbraw/zinc/09/52/46/488095246.db2.gz JUNZKJSGORKYMQ-UHFFFAOYSA-N 1 2 242.326 2.604 20 0 BFADLO CCn1ccc(C[N@@H+](C)Cc2ncc(C)s2)c1 ZINC000683031726 488101813 /nfs/dbraw/zinc/10/18/13/488101813.db2.gz WCPLKNQEFJFXCT-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO CCn1ccc(C[N@H+](C)Cc2ncc(C)s2)c1 ZINC000683031726 488101809 /nfs/dbraw/zinc/10/18/09/488101809.db2.gz WCPLKNQEFJFXCT-UHFFFAOYSA-N 1 2 249.383 2.905 20 0 BFADLO Cc1nc(C)c(C[NH2+][C@H](C)c2cscn2)o1 ZINC000382281246 487536413 /nfs/dbraw/zinc/53/64/13/487536413.db2.gz RMRZAUWKAURBLZ-SSDOTTSWSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CC(F)(F)C3)cs1 ZINC000677735828 488113731 /nfs/dbraw/zinc/11/37/31/488113731.db2.gz HVYLWOYYZWANKO-UHFFFAOYSA-N 1 2 244.310 2.683 20 0 BFADLO CC1CCC(C[N@@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000682547623 488116955 /nfs/dbraw/zinc/11/69/55/488116955.db2.gz SDYKYHHQKMBFTD-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO CC1CCC(C[N@H+]2C[C@H](O)CC(F)(F)C2)CC1 ZINC000682547623 488116960 /nfs/dbraw/zinc/11/69/60/488116960.db2.gz SDYKYHHQKMBFTD-HTAVTVPLSA-N 1 2 247.329 2.515 20 0 BFADLO Cc1cc(N)nc(SC[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000403709534 488133099 /nfs/dbraw/zinc/13/30/99/488133099.db2.gz WTYGPONMDXLTLQ-MXWKQRLJSA-N 1 2 249.383 2.726 20 0 BFADLO C[C@H](C[N@@H+]1CCOCC(F)(F)C1)C(C)(C)C ZINC000685476671 487538474 /nfs/dbraw/zinc/53/84/74/487538474.db2.gz PVCAQKPPAXBOIU-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO C[C@H](C[N@H+]1CCOCC(F)(F)C1)C(C)(C)C ZINC000685476671 487538479 /nfs/dbraw/zinc/53/84/79/487538479.db2.gz PVCAQKPPAXBOIU-SNVBAGLBSA-N 1 2 235.318 2.636 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)no1 ZINC000668795585 487549276 /nfs/dbraw/zinc/54/92/76/487549276.db2.gz CPITWNVHYVPTLS-AAEUAGOBSA-N 1 2 249.358 2.802 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)no1 ZINC000668795585 487549277 /nfs/dbraw/zinc/54/92/77/487549277.db2.gz CPITWNVHYVPTLS-AAEUAGOBSA-N 1 2 249.358 2.802 20 0 BFADLO c1sc(C2CC2)nc1C[NH+]1CC2(CC2)C1 ZINC000334743572 487554669 /nfs/dbraw/zinc/55/46/69/487554669.db2.gz VZIPMUBZXZVALM-UHFFFAOYSA-N 1 2 220.341 2.616 20 0 BFADLO CCc1cc(NCC[C@H]2CCO[C@@H](C)C2)nc[nH+]1 ZINC000680068507 487530710 /nfs/dbraw/zinc/53/07/10/487530710.db2.gz KLTSTFJSGLBIDW-RYUDHWBXSA-N 1 2 249.358 2.656 20 0 BFADLO CCc1nc(C[NH2+][C@H]2CCC[C@@H]2F)cs1 ZINC000339583250 487471312 /nfs/dbraw/zinc/47/13/12/487471312.db2.gz HUAYPOZMCSVYFP-UWVGGRQHSA-N 1 2 228.336 2.686 20 0 BFADLO Cc1ccc(Cn2ccc(C(F)(F)F)n2)c[nH+]1 ZINC000405552543 487485607 /nfs/dbraw/zinc/48/56/07/487485607.db2.gz BGBOIMQMHHGLLA-UHFFFAOYSA-N 1 2 241.216 2.654 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000678463347 487486585 /nfs/dbraw/zinc/48/65/85/487486585.db2.gz AWPRDNKUKWYKFM-RKDXNWHRSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000678463347 487486589 /nfs/dbraw/zinc/48/65/89/487486589.db2.gz AWPRDNKUKWYKFM-RKDXNWHRSA-N 1 2 248.248 2.928 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)C[C@H]1CC=CCC1 ZINC000563425772 487494837 /nfs/dbraw/zinc/49/48/37/487494837.db2.gz KOVGMYBMSRBIOS-ZDUSSCGKSA-N 1 2 231.343 2.886 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CCOC(C)(C)C2)c1 ZINC000232073730 487502161 /nfs/dbraw/zinc/50/21/61/487502161.db2.gz ALVJTEIRNCSOMY-NSHDSACASA-N 1 2 220.316 2.760 20 0 BFADLO CC[C@@H]1C[C@H](Nc2c[nH+]cc(C)c2)CCO1 ZINC000232074211 487502227 /nfs/dbraw/zinc/50/22/27/487502227.db2.gz BASXUMAPMUGLHK-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000295693731 487513745 /nfs/dbraw/zinc/51/37/45/487513745.db2.gz UXAMWSRHANZEQD-GFCCVEGCSA-N 1 2 249.358 2.593 20 0 BFADLO CC(C)=CCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000295693731 487513746 /nfs/dbraw/zinc/51/37/46/487513746.db2.gz UXAMWSRHANZEQD-GFCCVEGCSA-N 1 2 249.358 2.593 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@H]1CCOC1 ZINC000674065750 487507678 /nfs/dbraw/zinc/50/76/78/487507678.db2.gz GODHEZXPSIKWQH-MNOVXSKESA-N 1 2 249.358 2.611 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H](C)C1CCCC1 ZINC000674087199 487515857 /nfs/dbraw/zinc/51/58/57/487515857.db2.gz UYNMHFLQHPVNNK-JTQLQIEISA-N 1 2 248.326 2.855 20 0 BFADLO CCc1nnc(C[N@H+](C)Cc2ccccc2)s1 ZINC000680045201 487526421 /nfs/dbraw/zinc/52/64/21/487526421.db2.gz DHPOCOQMNANAAI-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO CCc1nnc(C[N@@H+](C)Cc2ccccc2)s1 ZINC000680045201 487526423 /nfs/dbraw/zinc/52/64/23/487526423.db2.gz DHPOCOQMNANAAI-UHFFFAOYSA-N 1 2 247.367 2.733 20 0 BFADLO Cc1nc(C[N@H+](C)CCOC(C)(C)C)oc1C ZINC000676041106 487802732 /nfs/dbraw/zinc/80/27/32/487802732.db2.gz ALJUDZPMGJJOFV-UHFFFAOYSA-N 1 2 240.347 2.538 20 0 BFADLO Cc1nc(C[N@@H+](C)CCOC(C)(C)C)oc1C ZINC000676041106 487802733 /nfs/dbraw/zinc/80/27/33/487802733.db2.gz ALJUDZPMGJJOFV-UHFFFAOYSA-N 1 2 240.347 2.538 20 0 BFADLO c1cc2c(s1)CCC[N@@H+](Cc1cocn1)C2 ZINC000683351754 488150779 /nfs/dbraw/zinc/15/07/79/488150779.db2.gz OCYOQOUQEVRXJF-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO c1cc2c(s1)CCC[N@H+](Cc1cocn1)C2 ZINC000683351754 488150784 /nfs/dbraw/zinc/15/07/84/488150784.db2.gz OCYOQOUQEVRXJF-UHFFFAOYSA-N 1 2 234.324 2.685 20 0 BFADLO C[C@H](CNc1cc(N2CCCC2)nc[nH+]1)C1CC1 ZINC000683386437 488156748 /nfs/dbraw/zinc/15/67/48/488156748.db2.gz UOZHSXBHKRBVAD-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@H](CNc1cc(N2CCCC2)[nH+]cn1)C1CC1 ZINC000683386437 488156752 /nfs/dbraw/zinc/15/67/52/488156752.db2.gz UOZHSXBHKRBVAD-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO CC(C)OC1CC(Nc2c[nH+]cc(N(C)C)c2)C1 ZINC000639365830 488177755 /nfs/dbraw/zinc/17/77/55/488177755.db2.gz RWVJXGVWGZYWRF-UHFFFAOYSA-N 1 2 249.358 2.516 20 0 BFADLO Cc1occc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398017057 488184896 /nfs/dbraw/zinc/18/48/96/488184896.db2.gz HROFGOOFLNPHBL-SNVBAGLBSA-N 1 2 215.243 2.865 20 0 BFADLO Cc1cc(NC(=O)NC(C(C)C)C(C)C)cc[nH+]1 ZINC000678095127 488196916 /nfs/dbraw/zinc/19/69/16/488196916.db2.gz RORLOKIAOFEYKK-UHFFFAOYSA-N 1 2 249.358 2.614 20 0 BFADLO Cc1[nH+]cccc1N[C@@H]1CCOC(C)(C)C1 ZINC000085711590 488201506 /nfs/dbraw/zinc/20/15/06/488201506.db2.gz XZWUESATXSDRRX-LLVKDONJSA-N 1 2 220.316 2.760 20 0 BFADLO COc1cc(C[NH2+]Cc2ncc(C)o2)ccc1C ZINC000683713718 488211890 /nfs/dbraw/zinc/21/18/90/488211890.db2.gz RZZBRRWIRRBPCI-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO COC1(C)C[NH+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000668173823 488214208 /nfs/dbraw/zinc/21/42/08/488214208.db2.gz USARFMSLEWXPND-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1nc([C@@H]2CCCC[N@@H+]2CC2(C)CC2)no1 ZINC000683827301 488227989 /nfs/dbraw/zinc/22/79/89/488227989.db2.gz SSXINIBATMQURY-NSHDSACASA-N 1 2 235.331 2.705 20 0 BFADLO Cc1nc([C@@H]2CCCC[N@H+]2CC2(C)CC2)no1 ZINC000683827301 488227992 /nfs/dbraw/zinc/22/79/92/488227992.db2.gz SSXINIBATMQURY-NSHDSACASA-N 1 2 235.331 2.705 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3cn[nH]c3C2)s1 ZINC000678276006 488235859 /nfs/dbraw/zinc/23/58/59/488235859.db2.gz PLLLOCRITZEWQX-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3cn[nH]c3C2)s1 ZINC000678276006 488235860 /nfs/dbraw/zinc/23/58/60/488235860.db2.gz PLLLOCRITZEWQX-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)s1 ZINC000678276006 488235861 /nfs/dbraw/zinc/23/58/61/488235861.db2.gz PLLLOCRITZEWQX-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3c[nH]nc3C2)s1 ZINC000678276006 488235863 /nfs/dbraw/zinc/23/58/63/488235863.db2.gz PLLLOCRITZEWQX-UHFFFAOYSA-N 1 2 247.367 2.592 20 0 BFADLO Cc1n[nH]cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283535 488236761 /nfs/dbraw/zinc/23/67/61/488236761.db2.gz NMHIZQOINYCCET-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO Cc1n[nH]cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000678283535 488236764 /nfs/dbraw/zinc/23/67/64/488236764.db2.gz NMHIZQOINYCCET-CQSZACIVSA-N 1 2 245.301 2.804 20 0 BFADLO Cn1cnc(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000683897141 488238561 /nfs/dbraw/zinc/23/85/61/488238561.db2.gz OVLNCWCLVHJBDX-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cn1cnc(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000683897141 488238564 /nfs/dbraw/zinc/23/85/64/488238564.db2.gz OVLNCWCLVHJBDX-UHFFFAOYSA-N 1 2 247.367 2.646 20 0 BFADLO Cc1nc(C)c(C[NH+]2Cc3ccccc3C2)o1 ZINC000683897448 488239530 /nfs/dbraw/zinc/23/95/30/488239530.db2.gz CRFDALUTPAZYCL-UHFFFAOYSA-N 1 2 228.295 2.807 20 0 BFADLO COc1ccc(N[C@@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000672239967 488246999 /nfs/dbraw/zinc/24/69/99/488246999.db2.gz FIUSWDWWLOOMGC-LLVKDONJSA-N 1 2 248.326 2.604 20 0 BFADLO Cc1cc(N[C@@H](C)c2cnccc2C)nc[nH+]1 ZINC000678408155 488252288 /nfs/dbraw/zinc/25/22/88/488252288.db2.gz DLVARNLMSDGOFD-NSHDSACASA-N 1 2 228.299 2.662 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)CCOC(C)(C)C)o1 ZINC000678462928 488256810 /nfs/dbraw/zinc/25/68/10/488256810.db2.gz MDFDOFPMCMNVCU-LLVKDONJSA-N 1 2 240.347 2.791 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)CCOC(C)(C)C)o1 ZINC000678462928 488256806 /nfs/dbraw/zinc/25/68/06/488256806.db2.gz MDFDOFPMCMNVCU-LLVKDONJSA-N 1 2 240.347 2.791 20 0 BFADLO CCc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)nc[nH+]1 ZINC000678485367 488261105 /nfs/dbraw/zinc/26/11/05/488261105.db2.gz YWBUATTXAYLEJA-CHWSQXEVSA-N 1 2 249.358 2.655 20 0 BFADLO CC[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cnn(C)c1 ZINC000672622577 488262516 /nfs/dbraw/zinc/26/25/16/488262516.db2.gz NCQRZYAMEMTMGA-MNOVXSKESA-N 1 2 243.301 2.649 20 0 BFADLO CCc1noc(C[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000678735486 488279648 /nfs/dbraw/zinc/27/96/48/488279648.db2.gz SOWRVNQMPRMJFK-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO FC(F)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000678775153 488282221 /nfs/dbraw/zinc/28/22/21/488282221.db2.gz KAOTWEPKJLHEIP-DGCLKSJQSA-N 1 2 241.281 2.619 20 0 BFADLO CC[C@H]1CCCCN1c1cc[nH+]cc1F ZINC000678787120 488282815 /nfs/dbraw/zinc/28/28/15/488282815.db2.gz YWMVJNSWQYITJM-JTQLQIEISA-N 1 2 208.280 2.990 20 0 BFADLO CC(C)[C@H]1CN(c2cc[nH+]cc2F)CCS1 ZINC000678787617 488283143 /nfs/dbraw/zinc/28/31/43/488283143.db2.gz UZZOPMLMOWXAQJ-GFCCVEGCSA-N 1 2 240.347 2.799 20 0 BFADLO c1cn(C2CCCC2)nc1C[N@H+]1CC=CCC1 ZINC000679323208 488337195 /nfs/dbraw/zinc/33/71/95/488337195.db2.gz GKVFXHKCTWUJMG-UHFFFAOYSA-N 1 2 231.343 2.760 20 0 BFADLO c1cn(C2CCCC2)nc1C[N@@H+]1CC=CCC1 ZINC000679323208 488337197 /nfs/dbraw/zinc/33/71/97/488337197.db2.gz GKVFXHKCTWUJMG-UHFFFAOYSA-N 1 2 231.343 2.760 20 0 BFADLO C[C@H]1CC[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000678948777 488297828 /nfs/dbraw/zinc/29/78/28/488297828.db2.gz JSVVBLBGSIQKGP-QWRGUYRKSA-N 1 2 243.310 2.709 20 0 BFADLO Cc1ncc([C@@H](C)Nc2cccc[nH+]2)c(C)n1 ZINC000679001641 488302196 /nfs/dbraw/zinc/30/21/96/488302196.db2.gz XWGYQBHDMPXOCD-SNVBAGLBSA-N 1 2 228.299 2.662 20 0 BFADLO CCC[C@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000679048422 488305099 /nfs/dbraw/zinc/30/50/99/488305099.db2.gz ONXYHDCWNAMLAA-LBPRGKRZSA-N 1 2 231.299 2.701 20 0 BFADLO CCc1noc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000673712200 488305424 /nfs/dbraw/zinc/30/54/24/488305424.db2.gz XYZOUAZTZMHMED-LBPRGKRZSA-N 1 2 243.310 2.579 20 0 BFADLO CCc1noc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000673712200 488305428 /nfs/dbraw/zinc/30/54/28/488305428.db2.gz XYZOUAZTZMHMED-LBPRGKRZSA-N 1 2 243.310 2.579 20 0 BFADLO COc1ccc(N[C@@H](C)c2cnccc2C)[nH+]c1 ZINC000679069184 488305563 /nfs/dbraw/zinc/30/55/63/488305563.db2.gz ZLKXYMOGVPBDTM-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO COC[C@@H](CC(C)C)Nc1ccc(OC)c[nH+]1 ZINC000679068629 488305733 /nfs/dbraw/zinc/30/57/33/488305733.db2.gz KPSWLYFQRGHJQM-LLVKDONJSA-N 1 2 238.331 2.563 20 0 BFADLO Cc1csc(C[N@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000679220865 488319170 /nfs/dbraw/zinc/31/91/70/488319170.db2.gz JYIAQFVCXSSWJN-WCBMZHEXSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1csc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)n1 ZINC000679220865 488319171 /nfs/dbraw/zinc/31/91/71/488319171.db2.gz JYIAQFVCXSSWJN-WCBMZHEXSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679228600 488322885 /nfs/dbraw/zinc/32/28/85/488322885.db2.gz YAAABDRXNRQSGV-WCBMZHEXSA-N 1 2 228.336 2.631 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)s1 ZINC000679228600 488322886 /nfs/dbraw/zinc/32/28/86/488322886.db2.gz YAAABDRXNRQSGV-WCBMZHEXSA-N 1 2 228.336 2.631 20 0 BFADLO C[N@H+](Cc1cnc[nH]1)Cc1cccc2cc[nH]c21 ZINC000684620728 488334282 /nfs/dbraw/zinc/33/42/82/488334282.db2.gz XXJCPWFCRKPNIL-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO C[N@@H+](Cc1cnc[nH]1)Cc1cccc2cc[nH]c21 ZINC000684620728 488334283 /nfs/dbraw/zinc/33/42/83/488334283.db2.gz XXJCPWFCRKPNIL-UHFFFAOYSA-N 1 2 240.310 2.523 20 0 BFADLO CN(c1nc(C[N@H+]2CC=CCC2)cs1)C1CC1 ZINC000679323610 488337351 /nfs/dbraw/zinc/33/73/51/488337351.db2.gz QFYSDINPOQLBLQ-UHFFFAOYSA-N 1 2 249.383 2.504 20 0 BFADLO CN(c1nc(C[N@@H+]2CC=CCC2)cs1)C1CC1 ZINC000679323610 488337353 /nfs/dbraw/zinc/33/73/53/488337353.db2.gz QFYSDINPOQLBLQ-UHFFFAOYSA-N 1 2 249.383 2.504 20 0 BFADLO Cc1cccc(NC(=O)C[N@H+]2CC=CCC2)c1C ZINC000679324600 488338224 /nfs/dbraw/zinc/33/82/24/488338224.db2.gz YEHUXGVTEKWSHT-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO Cc1cccc(NC(=O)C[N@@H+]2CC=CCC2)c1C ZINC000679324600 488338226 /nfs/dbraw/zinc/33/82/26/488338226.db2.gz YEHUXGVTEKWSHT-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO C[N@H+](CC(F)F)C[C@H]1CCc2ccccc21 ZINC000679533921 488356718 /nfs/dbraw/zinc/35/67/18/488356718.db2.gz GBQFPEDRELNIIC-LLVKDONJSA-N 1 2 225.282 2.913 20 0 BFADLO C[N@@H+](CC(F)F)C[C@H]1CCc2ccccc21 ZINC000679533921 488356720 /nfs/dbraw/zinc/35/67/20/488356720.db2.gz GBQFPEDRELNIIC-LLVKDONJSA-N 1 2 225.282 2.913 20 0 BFADLO FC(F)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000679541874 488357274 /nfs/dbraw/zinc/35/72/74/488357274.db2.gz QLDKSVCBXGOVDZ-LLVKDONJSA-N 1 2 241.281 2.652 20 0 BFADLO FC(F)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000679541874 488357275 /nfs/dbraw/zinc/35/72/75/488357275.db2.gz QLDKSVCBXGOVDZ-LLVKDONJSA-N 1 2 241.281 2.652 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cncnc1)C1CC1 ZINC000119895517 490053387 /nfs/dbraw/zinc/05/33/87/490053387.db2.gz UAKXLKHZUZIVKB-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cncnc1)C1CC1 ZINC000119895517 490053391 /nfs/dbraw/zinc/05/33/91/490053391.db2.gz UAKXLKHZUZIVKB-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO CC(C)c1nc(N(C)Cc2cccnc2)cc[nH+]1 ZINC000110113453 490104260 /nfs/dbraw/zinc/10/42/60/490104260.db2.gz LYUMJRZVDWIXQE-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO CC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1F ZINC000122550544 490150066 /nfs/dbraw/zinc/15/00/66/490150066.db2.gz XOMSSQKRZWAXCF-CYBMUJFWSA-N 1 2 233.290 2.790 20 0 BFADLO CCn1nccc1C[N@H+](CC)Cc1ccoc1 ZINC000129911913 490177098 /nfs/dbraw/zinc/17/70/98/490177098.db2.gz IIFPCKZQGRIVJE-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCn1nccc1C[N@@H+](CC)Cc1ccoc1 ZINC000129911913 490177101 /nfs/dbraw/zinc/17/71/01/490177101.db2.gz IIFPCKZQGRIVJE-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CSc1ccc([C@@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764506 490178379 /nfs/dbraw/zinc/17/83/79/490178379.db2.gz SHXHOGGFPWBRLH-SNVBAGLBSA-N 1 2 247.367 2.982 20 0 BFADLO C[C@H](CC(=O)N1[C@H](C)CCC[C@H]1C)n1cc[nH+]c1 ZINC000649572524 490195745 /nfs/dbraw/zinc/19/57/45/490195745.db2.gz ZCYHELJBCPPONV-JHJVBQTASA-N 1 2 249.358 2.624 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1cc(NC2CC2)[nH+]cn1 ZINC000413218097 490274017 /nfs/dbraw/zinc/27/40/17/490274017.db2.gz GWVGMMRNVIIDBL-ZYHUDNBSSA-N 1 2 246.358 2.818 20 0 BFADLO CC[C@@H]1CC[C@@H](C)N1c1cc(NC2CC2)nc[nH+]1 ZINC000413218097 490274024 /nfs/dbraw/zinc/27/40/24/490274024.db2.gz GWVGMMRNVIIDBL-ZYHUDNBSSA-N 1 2 246.358 2.818 20 0 BFADLO COc1ccc(C[NH2+]Cc2ncc(C)o2)c(C)c1 ZINC000638769377 490331385 /nfs/dbraw/zinc/33/13/85/490331385.db2.gz OHGNTZCMGKPHJA-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CCn1cncc1C[N@H+](CC)Cc1ccoc1 ZINC000669501856 490390746 /nfs/dbraw/zinc/39/07/46/490390746.db2.gz TWQUERYNRHPULO-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCn1cncc1C[N@@H+](CC)Cc1ccoc1 ZINC000669501856 490390753 /nfs/dbraw/zinc/39/07/53/490390753.db2.gz TWQUERYNRHPULO-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1ncc[nH]1 ZINC000124684017 490397878 /nfs/dbraw/zinc/39/78/78/490397878.db2.gz KTDAQSVOKZSWNG-VIFPVBQESA-N 1 2 235.718 2.914 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cocn2)c(Cl)c1 ZINC000397822527 490539642 /nfs/dbraw/zinc/53/96/42/490539642.db2.gz KKHCFHIHTBBXCR-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1ccc(CNc2c[nH]c[nH+]2)cc1Cl ZINC000309182530 491052727 /nfs/dbraw/zinc/05/27/27/491052727.db2.gz OBOXVAFCWGBTPN-UHFFFAOYSA-N 1 2 221.691 2.984 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccc(F)c(F)c2)o1 ZINC000227084330 491054703 /nfs/dbraw/zinc/05/47/03/491054703.db2.gz ADGDXRKDWNDVRV-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccncc2)o1 ZINC000228563380 491095912 /nfs/dbraw/zinc/09/59/12/491095912.db2.gz HHVQOIOUONKHGX-GHMZBOCLSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccncc2)o1 ZINC000228563374 491095917 /nfs/dbraw/zinc/09/59/17/491095917.db2.gz HHVQOIOUONKHGX-QWRGUYRKSA-N 1 2 231.299 2.790 20 0 BFADLO CCCc1[nH+]c2ccccc2n1[C@@H](C)[C@@H](C)O ZINC000122914409 491116687 /nfs/dbraw/zinc/11/66/87/491116687.db2.gz VKXIXRGIRDESGO-WDEREUQCSA-N 1 2 232.327 2.931 20 0 BFADLO CCCc1[nH+]c2ccccc2n1[C@@H](C)[C@H](C)O ZINC000122914839 491116701 /nfs/dbraw/zinc/11/67/01/491116701.db2.gz VKXIXRGIRDESGO-QWRGUYRKSA-N 1 2 232.327 2.931 20 0 BFADLO CCC[C@H](C)CNc1ccc(OC)c[nH+]1 ZINC000309239775 491146550 /nfs/dbraw/zinc/14/65/50/491146550.db2.gz YCYCQWHMPAGCQP-JTQLQIEISA-N 1 2 208.305 2.938 20 0 BFADLO C[C@H](CNc1cccc[nH+]1)c1ccncc1 ZINC000309357688 491147408 /nfs/dbraw/zinc/14/74/08/491147408.db2.gz OCTNVQICWOZTSV-LLVKDONJSA-N 1 2 213.284 2.692 20 0 BFADLO Cc1ncccc1CNc1cc[nH+]cc1F ZINC000309704215 491155407 /nfs/dbraw/zinc/15/54/07/491155407.db2.gz NTDALEJNJMIVTN-UHFFFAOYSA-N 1 2 217.247 2.536 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(CNc2c[nH]c[nH+]2)o1 ZINC000309742227 491155792 /nfs/dbraw/zinc/15/57/92/491155792.db2.gz DNNSLTHHKUTJGN-PSASIEDQSA-N 1 2 217.272 2.738 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccoc2C)no1 ZINC000309804878 491156896 /nfs/dbraw/zinc/15/68/96/491156896.db2.gz RWCVCLOGTBIOIC-VIFPVBQESA-N 1 2 220.272 2.735 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)/C=C/C(C)(C)C)c2[nH+]ccn21 ZINC000493449782 533904949 /nfs/dbraw/zinc/90/49/49/533904949.db2.gz HMNFJSXMNRSNBF-PVTPVBHGSA-N 1 2 247.342 2.607 20 0 BFADLO C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000494219928 534033741 /nfs/dbraw/zinc/03/37/41/534033741.db2.gz MWZZKEQGHBPPSM-VXGBXAGGSA-N 1 2 247.329 2.923 20 0 BFADLO C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)CC1(F)F ZINC000494219928 534033745 /nfs/dbraw/zinc/03/37/45/534033745.db2.gz MWZZKEQGHBPPSM-VXGBXAGGSA-N 1 2 247.329 2.923 20 0 BFADLO CC(C)(C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000335901255 534564767 /nfs/dbraw/zinc/56/47/67/534564767.db2.gz KSAGAMVTNAOPMD-JTQLQIEISA-N 1 2 235.331 2.509 20 0 BFADLO CC(C)c1nc(N2CCOC(C)(C)[C@@H]2C)cc[nH+]1 ZINC000357200226 534909067 /nfs/dbraw/zinc/90/90/67/534909067.db2.gz NEHULDBXPQOJLU-NSHDSACASA-N 1 2 249.358 2.604 20 0 BFADLO CC(C)c1nc(N2CC[C@](C)(F)C2)cc[nH+]1 ZINC000335909645 534909694 /nfs/dbraw/zinc/90/96/94/534909694.db2.gz DXHRFTUUJYKADW-LBPRGKRZSA-N 1 2 223.295 2.538 20 0 BFADLO C[N@H+](Cc1cc(C(C)(C)C)on1)C1CC1 ZINC000351386613 536456331 /nfs/dbraw/zinc/45/63/31/536456331.db2.gz OOWYPNCLRHKYJO-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO C[N@@H+](Cc1cc(C(C)(C)C)on1)C1CC1 ZINC000351386613 536456333 /nfs/dbraw/zinc/45/63/33/536456333.db2.gz OOWYPNCLRHKYJO-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO CC(C)(C)CC(C)(C)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493196763 527648089 /nfs/dbraw/zinc/64/80/89/527648089.db2.gz XSOIAVLWVIPJOL-SREVYHEPSA-N 1 2 249.358 2.754 20 0 BFADLO CC(C)CC(C)(C)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493612691 527675855 /nfs/dbraw/zinc/67/58/55/527675855.db2.gz JJHICEICYFRCLU-WAYWQWQTSA-N 1 2 249.358 2.611 20 0 BFADLO CCC1(NC(=O)/C=C/c2[nH]cc[nH+]2)CCCCC1 ZINC000493612872 527771001 /nfs/dbraw/zinc/77/10/01/527771001.db2.gz BUCOSWURRNVYSS-VOTSOKGWSA-N 1 2 247.342 2.652 20 0 BFADLO CCC[C@H](NC(=O)/C=C\c1[nH]cc[nH+]1)C(C)(C)C ZINC000493203713 528167424 /nfs/dbraw/zinc/16/74/24/528167424.db2.gz IMBWRBCQYXAGNL-TVRMLOFPSA-N 1 2 249.358 2.754 20 0 BFADLO CCCC[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494876842 528554848 /nfs/dbraw/zinc/55/48/48/528554848.db2.gz IMFRIKODGMXCKA-GFCCVEGCSA-N 1 2 236.363 2.816 20 0 BFADLO CCCC[NH2+][C@](CC)(C(=O)OC)c1ccccc1 ZINC000512257766 528556422 /nfs/dbraw/zinc/55/64/22/528556422.db2.gz CZLHEKDJOQDWRM-HNNXBMFYSA-N 1 2 249.354 2.855 20 0 BFADLO CC(C)N(C(=O)/C=C/c1[nH]cc[nH+]1)C1CCCC1 ZINC000493189574 528766391 /nfs/dbraw/zinc/76/63/91/528766391.db2.gz NMDVUKROTBLYJN-BQYQJAHWSA-N 1 2 247.342 2.603 20 0 BFADLO CCCC[C@@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493729867 528787975 /nfs/dbraw/zinc/78/79/75/528787975.db2.gz WSQLRINHJNQCCA-IDVQTMNDSA-N 1 2 249.358 2.898 20 0 BFADLO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc[nH]1 ZINC000174824483 529178836 /nfs/dbraw/zinc/17/88/36/529178836.db2.gz OXVINFCCPYRNNE-GFCCVEGCSA-N 1 2 248.305 2.527 20 0 BFADLO CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc[nH]1 ZINC000174824483 529178838 /nfs/dbraw/zinc/17/88/38/529178838.db2.gz OXVINFCCPYRNNE-GFCCVEGCSA-N 1 2 248.305 2.527 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493105369 529195709 /nfs/dbraw/zinc/19/57/09/529195709.db2.gz LNZBFSOAFGCXBT-GUOLPTJISA-N 1 2 247.342 2.604 20 0 BFADLO CC[C@@H]1CCCC[C@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857394 529288489 /nfs/dbraw/zinc/28/84/89/529288489.db2.gz KFHWPYANLSZGLC-KPYDUXRZSA-N 1 2 247.342 2.508 20 0 BFADLO CC(C)(C)OC1CC([N@@H+]2CCC(F)(F)C2)C1 ZINC000335295888 534964958 /nfs/dbraw/zinc/96/49/58/534964958.db2.gz AWGFNGLHNGYGNK-UHFFFAOYSA-N 1 2 233.302 2.674 20 0 BFADLO CC(C)(C)OC1CC([N@H+]2CCC(F)(F)C2)C1 ZINC000335295888 534964965 /nfs/dbraw/zinc/96/49/65/534964965.db2.gz AWGFNGLHNGYGNK-UHFFFAOYSA-N 1 2 233.302 2.674 20 0 BFADLO CC(C)c1nnc(C[NH+]2CCC(C)CC2)s1 ZINC000336190483 534971548 /nfs/dbraw/zinc/97/15/48/534971548.db2.gz JILKQMLLOOXGNC-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)[NH+](Cc1noc(C(C)(C)C)n1)C(C)C ZINC000183030681 535123154 /nfs/dbraw/zinc/12/31/54/535123154.db2.gz FDQHXMAKDVTCOO-UHFFFAOYSA-N 1 2 239.363 2.986 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000334391369 535465013 /nfs/dbraw/zinc/46/50/13/535465013.db2.gz VAFRIMXURQYUOS-SECBINFHSA-N 1 2 245.326 2.866 20 0 BFADLO CCC[C@H]([NH2+]CCC1(F)CCC1)C(=O)OCC ZINC000352261959 535703586 /nfs/dbraw/zinc/70/35/86/535703586.db2.gz BWIFKUVAABFKFX-NSHDSACASA-N 1 2 245.338 2.590 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CC=CCC2)[nH+]1 ZINC000892604742 582926710 /nfs/dbraw/zinc/92/67/10/582926710.db2.gz HOEPOWCFYJKHCK-WDEREUQCSA-N 1 2 218.300 2.656 20 0 BFADLO C[C@@]1(Br)C[C@@H]1CNc1cccc[nH+]1 ZINC000892638029 582935658 /nfs/dbraw/zinc/93/56/58/582935658.db2.gz VIZODVJILWUAEO-PSASIEDQSA-N 1 2 241.132 2.667 20 0 BFADLO C[C@]1(Br)C[C@@H]1CNc1cccc[nH+]1 ZINC000892638030 582935838 /nfs/dbraw/zinc/93/58/38/582935838.db2.gz VIZODVJILWUAEO-SCZZXKLOSA-N 1 2 241.132 2.667 20 0 BFADLO CCCCNC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668149820 566392344 /nfs/dbraw/zinc/39/23/44/566392344.db2.gz BUCPMMGKYLJWFZ-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO CC[C@@H](C)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668149958 566392562 /nfs/dbraw/zinc/39/25/62/566392562.db2.gz ICGJBVVCGLRGNR-SECBINFHSA-N 1 2 246.314 2.563 20 0 BFADLO C[C@@H](Nc1ccc(F)cc1)c1[nH]cc[nH+]1 ZINC000335606637 566405128 /nfs/dbraw/zinc/40/51/28/566405128.db2.gz UMEGPUGSTDHRMW-MRVPVSSYSA-N 1 2 205.236 2.722 20 0 BFADLO CCC1(CNc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000892845394 582995518 /nfs/dbraw/zinc/99/55/18/582995518.db2.gz QMESGZPQEAIRFJ-SNVBAGLBSA-N 1 2 220.316 2.737 20 0 BFADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CCC1 ZINC000892986105 583025784 /nfs/dbraw/zinc/02/57/84/583025784.db2.gz SVJFWZKEHPVDQB-ZJUUUORDSA-N 1 2 220.316 2.735 20 0 BFADLO CCC(CC)C(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893517956 583156059 /nfs/dbraw/zinc/15/60/59/583156059.db2.gz HMVJUJAGYBPHKR-LLVKDONJSA-N 1 2 236.315 2.616 20 0 BFADLO CCCCCC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893518295 583155521 /nfs/dbraw/zinc/15/55/21/583155521.db2.gz WEWDXBWSWZEWGY-LLVKDONJSA-N 1 2 236.315 2.760 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000893968633 583264070 /nfs/dbraw/zinc/26/40/70/583264070.db2.gz DOIVAQSLUGAANV-UHFFFAOYSA-N 1 2 241.356 2.612 20 0 BFADLO CSc1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000893968633 583264072 /nfs/dbraw/zinc/26/40/72/583264072.db2.gz DOIVAQSLUGAANV-UHFFFAOYSA-N 1 2 241.356 2.612 20 0 BFADLO CC(C)c1nnc(C[NH+]2CC(C(C)C)C2)s1 ZINC000894134862 583313978 /nfs/dbraw/zinc/31/39/78/583313978.db2.gz PEDPDOIEZADJBG-UHFFFAOYSA-N 1 2 239.388 2.749 20 0 BFADLO CCC[N@H+](C)Cn1nc(CC)sc1=S ZINC000853492635 588745964 /nfs/dbraw/zinc/74/59/64/588745964.db2.gz WYQDZRJLNXTBLL-UHFFFAOYSA-N 1 2 231.390 2.536 20 0 BFADLO CCC[N@@H+](C)Cn1nc(CC)sc1=S ZINC000853492635 588745965 /nfs/dbraw/zinc/74/59/65/588745965.db2.gz WYQDZRJLNXTBLL-UHFFFAOYSA-N 1 2 231.390 2.536 20 0 BFADLO CC(C)=CCCO[NH+]=C(N)c1ccccc1 ZINC000853637197 588751468 /nfs/dbraw/zinc/75/14/68/588751468.db2.gz QISIPVAGGGWHOT-UHFFFAOYSA-N 1 2 218.300 2.889 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@@H]1CCCC[C@H]1C ZINC000853658815 588753032 /nfs/dbraw/zinc/75/30/32/588753032.db2.gz QJYRQRUSFKUTGJ-NEPJUHHUSA-N 1 2 242.363 2.736 20 0 BFADLO CC(C)c1nc(N2C[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000853719043 588759228 /nfs/dbraw/zinc/75/92/28/588759228.db2.gz KKNRCYOVFCTMPM-RYUDHWBXSA-N 1 2 231.343 2.979 20 0 BFADLO COc1cccc(C(N)=[NH+]OCCC=C(C)C)c1 ZINC000853675321 588755080 /nfs/dbraw/zinc/75/50/80/588755080.db2.gz SIPZSJANFRLHKZ-UHFFFAOYSA-N 1 2 248.326 2.898 20 0 BFADLO CCC(CC)CO[NH+]=C(N)Cc1cccnc1 ZINC000853678209 588755153 /nfs/dbraw/zinc/75/51/53/588755153.db2.gz CPCDLHMJVSZTAZ-UHFFFAOYSA-N 1 2 235.331 2.559 20 0 BFADLO C1=C[C@@H](Nc2cc(N[C@@H]3C=CCC3)[nH+]cn2)CC1 ZINC000853800867 588764040 /nfs/dbraw/zinc/76/40/40/588764040.db2.gz ZGQMNNONRDBHGU-VXGBXAGGSA-N 1 2 242.326 2.738 20 0 BFADLO CC1(C)CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000112695224 588812815 /nfs/dbraw/zinc/81/28/15/588812815.db2.gz OBDIFVHVIMFXOW-UHFFFAOYSA-N 1 2 227.739 2.616 20 0 BFADLO CC1(C)CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000112695224 588812816 /nfs/dbraw/zinc/81/28/16/588812816.db2.gz OBDIFVHVIMFXOW-UHFFFAOYSA-N 1 2 227.739 2.616 20 0 BFADLO Cc1cc(NC(=O)c2ccc(Cl)nc2)cc[nH+]1 ZINC000010163117 588827640 /nfs/dbraw/zinc/82/76/40/588827640.db2.gz KQAGBUYZIPJRRD-UHFFFAOYSA-N 1 2 247.685 2.691 20 0 BFADLO C[C@@H](CCO)[NH2+]c1ccc(OCC2CC2)cc1 ZINC000779416717 582669632 /nfs/dbraw/zinc/66/96/32/582669632.db2.gz BNCZBXBPCYFZFH-NSHDSACASA-N 1 2 235.327 2.658 20 0 BFADLO CC(C)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891412853 582680890 /nfs/dbraw/zinc/68/08/90/582680890.db2.gz GATXGSKVWAJGBR-SNVBAGLBSA-N 1 2 208.305 2.593 20 0 BFADLO CCC(CC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891427163 582682609 /nfs/dbraw/zinc/68/26/09/582682609.db2.gz RIWSDYFWYHSAGJ-SECBINFHSA-N 1 2 208.305 2.735 20 0 BFADLO C[N@H+](Cc1ccco1)Cc1ccnn1C1CCC1 ZINC000891487848 582692451 /nfs/dbraw/zinc/69/24/51/582692451.db2.gz OOMMNXCIEMQYRH-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[N@@H+](Cc1ccco1)Cc1ccnn1C1CCC1 ZINC000891487848 582692453 /nfs/dbraw/zinc/69/24/53/582692453.db2.gz OOMMNXCIEMQYRH-UHFFFAOYSA-N 1 2 245.326 2.833 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H](C)c2cccnc2)[nH+]1 ZINC000891560931 582697343 /nfs/dbraw/zinc/69/73/43/582697343.db2.gz GIRDJKUXYIHHND-QWRGUYRKSA-N 1 2 243.310 2.703 20 0 BFADLO C[C@H](O)c1cccc(NC(C2CC2)C2CC2)[nH+]1 ZINC000891671537 582708473 /nfs/dbraw/zinc/70/84/73/582708473.db2.gz PUXKUNLLCOAOKI-VIFPVBQESA-N 1 2 232.327 2.735 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H](C)Cc2ccco2)[nH+]1 ZINC000891762738 582717738 /nfs/dbraw/zinc/71/77/38/582717738.db2.gz SSBVEDXSSRGYDJ-WDEREUQCSA-N 1 2 246.310 2.771 20 0 BFADLO c1cn(C2CC2)c(CN2CCc3ccccc32)[nH+]1 ZINC000892403797 582877394 /nfs/dbraw/zinc/87/73/94/582877394.db2.gz SAXRGDWKFVGURP-UHFFFAOYSA-N 1 2 239.322 2.781 20 0 BFADLO Cc1cc(NCC2(C)COC2)nc(C2CCC2)[nH+]1 ZINC000892505855 582900722 /nfs/dbraw/zinc/90/07/22/582900722.db2.gz MOPMWMHDBALHIA-UHFFFAOYSA-N 1 2 247.342 2.501 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2CC2(C)C)[nH+]1 ZINC000892505346 582901061 /nfs/dbraw/zinc/90/10/61/582901061.db2.gz UKJQRQSITDDXMC-UWVGGRQHSA-N 1 2 220.316 2.593 20 0 BFADLO CC[C@H](C)[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892616766 582931244 /nfs/dbraw/zinc/93/12/44/582931244.db2.gz QHSZGRDPTUVNGG-HBNTYKKESA-N 1 2 222.332 2.981 20 0 BFADLO COC[C@H]([NH2+]Cc1ccoc1C)c1ccco1 ZINC000414360236 582934541 /nfs/dbraw/zinc/93/45/41/582934541.db2.gz GOAIQDFJMQYKQO-LBPRGKRZSA-N 1 2 235.283 2.658 20 0 BFADLO CCCCCCC(=O)OCCCn1cc[nH+]c1 ZINC000782987468 582935859 /nfs/dbraw/zinc/93/58/59/582935859.db2.gz RKZICHKSTWOQQV-UHFFFAOYSA-N 1 2 238.331 2.787 20 0 BFADLO CC1(C)CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892674381 582949167 /nfs/dbraw/zinc/94/91/67/582949167.db2.gz IPXHXKDNMKDNSY-UHFFFAOYSA-N 1 2 244.342 2.746 20 0 BFADLO CCCCCCC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000856277306 588866512 /nfs/dbraw/zinc/86/65/12/588866512.db2.gz IIRIGSGGXUQTKY-LLVKDONJSA-N 1 2 237.347 2.568 20 0 BFADLO CCc1cc(N2CCC[C@H]2C)nc(CC)[nH+]1 ZINC000892737672 582973153 /nfs/dbraw/zinc/97/31/53/582973153.db2.gz HZEOTJYKMNVWPB-SNVBAGLBSA-N 1 2 219.332 2.590 20 0 BFADLO c1csc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)n1 ZINC000892826301 582988858 /nfs/dbraw/zinc/98/88/58/582988858.db2.gz GFUQJHHQWQDBQD-SECBINFHSA-N 1 2 234.328 2.598 20 0 BFADLO C[C@H](O)c1cccc(NCC2(C)CCC2)[nH+]1 ZINC000892846195 582995221 /nfs/dbraw/zinc/99/52/21/582995221.db2.gz DZVIXXOWSIQHFX-JTQLQIEISA-N 1 2 220.316 2.737 20 0 BFADLO CCc1cc(N2CC3(CC(F)C3)C2)nc(CC)[nH+]1 ZINC000892955778 583020674 /nfs/dbraw/zinc/02/06/74/583020674.db2.gz LSILUPWVWXHZBH-UHFFFAOYSA-N 1 2 249.333 2.540 20 0 BFADLO CCc1cc(N[C@H]2CCO[C@@H](C)C2)nc(CC)[nH+]1 ZINC000893088399 583047949 /nfs/dbraw/zinc/04/79/49/583047949.db2.gz PADOLCXSMIHPMH-JQWIXIFHSA-N 1 2 249.358 2.581 20 0 BFADLO CCOc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000893196657 583068946 /nfs/dbraw/zinc/06/89/46/583068946.db2.gz BMTXGFXMPZCICP-UHFFFAOYSA-N 1 2 232.283 2.994 20 0 BFADLO Cc1ccc2c(c1)[C@H]([NH2+]Cc1csnn1)CC2 ZINC000398249105 583126556 /nfs/dbraw/zinc/12/65/56/583126556.db2.gz LOPJRRJQNUBSOL-CYBMUJFWSA-N 1 2 245.351 2.624 20 0 BFADLO CC(C)=CCNc1cccc([C@H](C)O)[nH+]1 ZINC000893451491 583145636 /nfs/dbraw/zinc/14/56/36/583145636.db2.gz GBUTYOZUPCZHSP-JTQLQIEISA-N 1 2 206.289 2.513 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)[C@H]1CC=CCC1 ZINC000893519653 583156214 /nfs/dbraw/zinc/15/62/14/583156214.db2.gz RWSMCWNCRDAHNS-NWDGAFQWSA-N 1 2 246.310 2.536 20 0 BFADLO Cc1c[nH+]c2n1CC[C@H]2OC(=O)CC1CCCC1 ZINC000893518044 583156250 /nfs/dbraw/zinc/15/62/50/583156250.db2.gz JTVJREAGJKINPN-GFCCVEGCSA-N 1 2 248.326 2.760 20 0 BFADLO CC[C@@H](C)CC(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893527766 583157909 /nfs/dbraw/zinc/15/79/09/583157909.db2.gz GSVDVXPSRRGKSJ-MWLCHTKSSA-N 1 2 236.315 2.616 20 0 BFADLO CC[C@@H](C)CC(=O)O[C@H]1CCn2c(C)c[nH+]c21 ZINC000893527764 583157919 /nfs/dbraw/zinc/15/79/19/583157919.db2.gz GSVDVXPSRRGKSJ-KOLCDFICSA-N 1 2 236.315 2.616 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000219083476 583174560 /nfs/dbraw/zinc/17/45/60/583174560.db2.gz PRYNHMGOWCYZHZ-ONGXEEELSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1cc(N2CC[C@H]3C[C@H]32)nc(C2CCC2)[nH+]1 ZINC000893680494 583198172 /nfs/dbraw/zinc/19/81/72/583198172.db2.gz URPFBSMHQORCSH-NWDGAFQWSA-N 1 2 229.327 2.651 20 0 BFADLO C[C@H](O)c1cccc(NCCC2(F)CCC2)[nH+]1 ZINC000893858781 583233795 /nfs/dbraw/zinc/23/37/95/583233795.db2.gz LCKBJMNGJQFNPJ-JTQLQIEISA-N 1 2 238.306 2.829 20 0 BFADLO C[C@@H](O)c1cccc(N2CCC[C@@H](C3CC3)C2)[nH+]1 ZINC000893881801 583240695 /nfs/dbraw/zinc/24/06/95/583240695.db2.gz FGJMRNPFKRBKKM-DGCLKSJQSA-N 1 2 246.354 2.761 20 0 BFADLO C[C@@H]1C[N@H+](C/C=C/c2cccc(F)c2)CCO1 ZINC000893916012 583245944 /nfs/dbraw/zinc/24/59/44/583245944.db2.gz CAAXJQMJUHTJON-OGOUPESXSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CCO1 ZINC000893916012 583245948 /nfs/dbraw/zinc/24/59/48/583245948.db2.gz CAAXJQMJUHTJON-OGOUPESXSA-N 1 2 235.302 2.560 20 0 BFADLO C[C@@H](O)c1cccc(NCC2CC(F)(F)C2)[nH+]1 ZINC000893945206 583257392 /nfs/dbraw/zinc/25/73/92/583257392.db2.gz DWSOTMXJSBSQHA-MRVPVSSYSA-N 1 2 242.269 2.592 20 0 BFADLO C[C@@H](O)c1cccc(NCCC(C)(F)F)[nH+]1 ZINC000894007298 583270524 /nfs/dbraw/zinc/27/05/24/583270524.db2.gz JBSYATZMOMLFHL-MRVPVSSYSA-N 1 2 230.258 2.592 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cccc([C@H](C)O)[nH+]1 ZINC000894058646 583291558 /nfs/dbraw/zinc/29/15/58/583291558.db2.gz OSSSVQWJYNHIMN-AXFHLTTASA-N 1 2 220.316 2.593 20 0 BFADLO CC(C)N(C)c1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000894128088 583312361 /nfs/dbraw/zinc/31/23/61/583312361.db2.gz KEZWZNSLJRMKOZ-UHFFFAOYSA-N 1 2 244.342 2.866 20 0 BFADLO C1=CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000894174918 583326569 /nfs/dbraw/zinc/32/65/69/583326569.db2.gz RCGLHBQNLPOVTR-UHFFFAOYSA-N 1 2 227.311 2.608 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000894192863 583333912 /nfs/dbraw/zinc/33/39/12/583333912.db2.gz IFXFOBQXZWGBSG-SKDRFNHKSA-N 1 2 246.310 2.989 20 0 BFADLO FC(F)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878321048 583369852 /nfs/dbraw/zinc/36/98/52/583369852.db2.gz LCLUTXSLTWHMEN-QWRGUYRKSA-N 1 2 245.313 2.675 20 0 BFADLO FC(F)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878321048 583369854 /nfs/dbraw/zinc/36/98/54/583369854.db2.gz LCLUTXSLTWHMEN-QWRGUYRKSA-N 1 2 245.313 2.675 20 0 BFADLO CCOc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148705696 583381150 /nfs/dbraw/zinc/38/11/50/583381150.db2.gz FIPRFBOMWQJPBM-NSHDSACASA-N 1 2 246.310 2.924 20 0 BFADLO C[C@H](O)c1cccc(N2CC[C@@H](C3CCC3)C2)[nH+]1 ZINC000894225601 583383571 /nfs/dbraw/zinc/38/35/71/583383571.db2.gz DUSMYVCIBPGODP-WCQYABFASA-N 1 2 246.354 2.761 20 0 BFADLO c1cc(NCc2c[nH+]c[nH]2)n(C2CCCCC2)n1 ZINC000894389267 583445523 /nfs/dbraw/zinc/44/55/23/583445523.db2.gz OZHAKRIGIUMHHE-UHFFFAOYSA-N 1 2 245.330 2.724 20 0 BFADLO c1cc(NCc2c[nH]c[nH+]2)n(C2CCCCC2)n1 ZINC000894389267 583445526 /nfs/dbraw/zinc/44/55/26/583445526.db2.gz OZHAKRIGIUMHHE-UHFFFAOYSA-N 1 2 245.330 2.724 20 0 BFADLO C[C@@H]1CCC[C@@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000791943227 583452790 /nfs/dbraw/zinc/45/27/90/583452790.db2.gz FKGCSWMYTNTZSK-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1n[nH]c(C[N@@H+](C)[C@H](C)c2cccnc2)c1C ZINC000894448612 583461808 /nfs/dbraw/zinc/46/18/08/583461808.db2.gz IPKIEUVKVNONEI-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1n[nH]c(C[N@H+](C)[C@H](C)c2cccnc2)c1C ZINC000894448612 583461810 /nfs/dbraw/zinc/46/18/10/583461810.db2.gz IPKIEUVKVNONEI-GFCCVEGCSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1ccc2c(c1)O[C@@H](C)CN2Cc1c[nH+]c[nH]1 ZINC000894491543 583473215 /nfs/dbraw/zinc/47/32/15/583473215.db2.gz ONNZUOHUPNDXDE-NSHDSACASA-N 1 2 243.310 2.506 20 0 BFADLO Cc1ccc2c(c1)O[C@@H](C)CN2Cc1c[nH]c[nH+]1 ZINC000894491543 583473216 /nfs/dbraw/zinc/47/32/16/583473216.db2.gz ONNZUOHUPNDXDE-NSHDSACASA-N 1 2 243.310 2.506 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)cnc1F ZINC000894513038 583475636 /nfs/dbraw/zinc/47/56/36/583475636.db2.gz ATTYLSJPYQXMDQ-JTQLQIEISA-N 1 2 244.260 2.807 20 0 BFADLO c1[nH]c(CN2CC3(CCC3)c3ccccc32)c[nH+]1 ZINC000894543193 583482080 /nfs/dbraw/zinc/48/20/80/583482080.db2.gz NYZLSYHEOASTKA-UHFFFAOYSA-N 1 2 239.322 2.852 20 0 BFADLO c1[nH]cc(CN2CC3(CCC3)c3ccccc32)[nH+]1 ZINC000894543193 583482081 /nfs/dbraw/zinc/48/20/81/583482081.db2.gz NYZLSYHEOASTKA-UHFFFAOYSA-N 1 2 239.322 2.852 20 0 BFADLO CC(C)(C)c1coc(C[NH+]2CC(C3CC3)C2)n1 ZINC000894566134 583484105 /nfs/dbraw/zinc/48/41/05/583484105.db2.gz MVMJIRNDGCSNHI-UHFFFAOYSA-N 1 2 234.343 2.814 20 0 BFADLO C[C@@H](O)c1cccc(NCC2=CCCC2)[nH+]1 ZINC000894599470 583493561 /nfs/dbraw/zinc/49/35/61/583493561.db2.gz LWPJUFOGPQLQJS-SNVBAGLBSA-N 1 2 218.300 2.657 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894627481 583495808 /nfs/dbraw/zinc/49/58/08/583495808.db2.gz HTYIHOMEAGZONK-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(C(C)(C)C)co1 ZINC000894627481 583495811 /nfs/dbraw/zinc/49/58/11/583495811.db2.gz HTYIHOMEAGZONK-VHSXEESVSA-N 1 2 222.332 2.812 20 0 BFADLO Cc1nn(C(C)C)c(C)c1C[NH2+]CC(C)(F)F ZINC000894623959 583496607 /nfs/dbraw/zinc/49/66/07/583496607.db2.gz IFZDURKQPYBDAX-UHFFFAOYSA-N 1 2 245.317 2.826 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000894658462 583499999 /nfs/dbraw/zinc/49/99/99/583499999.db2.gz IFSDUCQYHTWOPB-LBPRGKRZSA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000894658462 583500001 /nfs/dbraw/zinc/50/00/01/583500001.db2.gz IFSDUCQYHTWOPB-LBPRGKRZSA-N 1 2 227.279 2.612 20 0 BFADLO CC(C)Cc1ccc(C[NH2+]C(CF)CF)cn1 ZINC000894666510 583502429 /nfs/dbraw/zinc/50/24/29/583502429.db2.gz JKORXBOXUFVPEH-UHFFFAOYSA-N 1 2 242.313 2.677 20 0 BFADLO C[C@H](O)c1cccc(NCC2CC=CC2)[nH+]1 ZINC000894714480 583511182 /nfs/dbraw/zinc/51/11/82/583511182.db2.gz BGTIKCFFGXJWCU-JTQLQIEISA-N 1 2 218.300 2.513 20 0 BFADLO CCC1(CC)C[NH+](Cc2nccn2C2CC2)C1 ZINC000894820620 583525087 /nfs/dbraw/zinc/52/50/87/583525087.db2.gz ZXOSFOBNJWFJNO-UHFFFAOYSA-N 1 2 233.359 2.840 20 0 BFADLO CCc1nnc(C[NH+]2CC(CC)(CC)C2)s1 ZINC000894820583 583525100 /nfs/dbraw/zinc/52/51/00/583525100.db2.gz YFZSXKFXRPJOJX-UHFFFAOYSA-N 1 2 239.388 2.723 20 0 BFADLO Cc1cnc(Cl)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000894830998 583527648 /nfs/dbraw/zinc/52/76/48/583527648.db2.gz WXJYJIGTIQHUQV-UHFFFAOYSA-N 1 2 246.688 2.740 20 0 BFADLO CCC1(C)C[NH+](Cc2nnc(C(C)C)s2)C1 ZINC000894840501 583530008 /nfs/dbraw/zinc/53/00/08/583530008.db2.gz RBLCETOPXGWHJN-UHFFFAOYSA-N 1 2 239.388 2.893 20 0 BFADLO C[C@@H](NC(=O)C1CCCCCCC1)c1[nH]cc[nH+]1 ZINC000141039572 583548189 /nfs/dbraw/zinc/54/81/89/583548189.db2.gz YMUPCNPYGCPJQQ-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO Clc1ccc(C2C[NH+](Cc3c[nH]cn3)C2)cc1 ZINC000894911976 583554581 /nfs/dbraw/zinc/55/45/81/583554581.db2.gz PIBMNSKVFFEQCS-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO Clc1ccc(C2C[NH+](Cc3cnc[nH]3)C2)cc1 ZINC000894911976 583554583 /nfs/dbraw/zinc/55/45/83/583554583.db2.gz PIBMNSKVFFEQCS-UHFFFAOYSA-N 1 2 247.729 2.663 20 0 BFADLO CC1(C)CC[NH+](Cn2ncsc2=S)CC1 ZINC000726965271 583574170 /nfs/dbraw/zinc/57/41/70/583574170.db2.gz ZBRNUPQCGZVZFC-UHFFFAOYSA-N 1 2 243.401 2.754 20 0 BFADLO Cc1ncoc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000895053828 583574718 /nfs/dbraw/zinc/57/47/18/583574718.db2.gz XBJDTIKLQLLBMS-KGLIPLIRSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1ncoc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000895053830 583574751 /nfs/dbraw/zinc/57/47/51/583574751.db2.gz XBJDTIKLQLLBMS-ZIAGYGMSSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CC23CCCC3)c1C ZINC000882262806 583602472 /nfs/dbraw/zinc/60/24/72/583602472.db2.gz ODUXKVAIKJEYFS-NSHDSACASA-N 1 2 217.316 2.838 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)c1cnccn1 ZINC000895140050 583602855 /nfs/dbraw/zinc/60/28/55/583602855.db2.gz NVRZXEHPIBTGGG-VIFPVBQESA-N 1 2 246.339 2.767 20 0 BFADLO CSc1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000895149729 583606112 /nfs/dbraw/zinc/60/61/12/583606112.db2.gz ANNFGSCJZKFUAY-SECBINFHSA-N 1 2 229.320 2.935 20 0 BFADLO CSc1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000895149729 583606114 /nfs/dbraw/zinc/60/61/14/583606114.db2.gz ANNFGSCJZKFUAY-SECBINFHSA-N 1 2 229.320 2.935 20 0 BFADLO C[C@H](O)c1cccc(NC[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)[nH+]1 ZINC000895208588 583626065 /nfs/dbraw/zinc/62/60/65/583626065.db2.gz VAYJTFPXPMPTPN-SJHCENCUSA-N 1 2 246.354 2.839 20 0 BFADLO C[C@@H]1OCC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000147614780 583662692 /nfs/dbraw/zinc/66/26/92/583662692.db2.gz HCODNRVTKCVQDP-SWLSCSKDSA-N 1 2 246.354 2.876 20 0 BFADLO C[C@@H]1OCC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000147615119 583662764 /nfs/dbraw/zinc/66/27/64/583662764.db2.gz HCODNRVTKCVQDP-WFASDCNBSA-N 1 2 246.354 2.876 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1cccc(F)c1F ZINC000895418853 583667442 /nfs/dbraw/zinc/66/74/42/583667442.db2.gz RCDRLJAKSBUWQU-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCCCC1 ZINC000895430238 583669500 /nfs/dbraw/zinc/66/95/00/583669500.db2.gz CKLNZMMASVLTBK-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCCCC1 ZINC000895430238 583669501 /nfs/dbraw/zinc/66/95/01/583669501.db2.gz CKLNZMMASVLTBK-VXGBXAGGSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@@H+]1CC[C@H]1C(F)F)C1CCCCC1 ZINC000895430237 583669574 /nfs/dbraw/zinc/66/95/74/583669574.db2.gz CKLNZMMASVLTBK-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@H+]1CC[C@H]1C(F)F)C1CCCCC1 ZINC000895430237 583669576 /nfs/dbraw/zinc/66/95/76/583669576.db2.gz CKLNZMMASVLTBK-RYUDHWBXSA-N 1 2 247.329 2.921 20 0 BFADLO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000895431424 583670379 /nfs/dbraw/zinc/67/03/79/583670379.db2.gz MWEXLYGIFLJLGC-HBNTYKKESA-N 1 2 233.302 2.531 20 0 BFADLO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H]2C(F)F)CCO1 ZINC000895431424 583670380 /nfs/dbraw/zinc/67/03/80/583670380.db2.gz MWEXLYGIFLJLGC-HBNTYKKESA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc(NC[C@@H]2CCC=CO2)c[nH+]c1C ZINC000895646531 583698570 /nfs/dbraw/zinc/69/85/70/583698570.db2.gz WFTONQCXTUZTGE-ZDUSSCGKSA-N 1 2 218.300 2.803 20 0 BFADLO Cc1cc(NC[C@H]2CCC=CO2)c[nH+]c1C ZINC000895646523 583698753 /nfs/dbraw/zinc/69/87/53/583698753.db2.gz WFTONQCXTUZTGE-CYBMUJFWSA-N 1 2 218.300 2.803 20 0 BFADLO CCSCCNc1c[nH+]c(C)c(C)c1 ZINC000895646658 583698944 /nfs/dbraw/zinc/69/89/44/583698944.db2.gz XIYMOYOWNARXRH-UHFFFAOYSA-N 1 2 210.346 2.863 20 0 BFADLO COCC1(CNc2c[nH+]c(C)c(C)c2)CCC1 ZINC000895645162 583700605 /nfs/dbraw/zinc/70/06/05/583700605.db2.gz NUMZUOBCEIFXPN-UHFFFAOYSA-N 1 2 234.343 2.927 20 0 BFADLO CC[C@@](C)(CNc1c[nH+]c(C)c(C)c1)OC ZINC000895645708 583700607 /nfs/dbraw/zinc/70/06/07/583700607.db2.gz SVSVHAQTFGFDQL-ZDUSSCGKSA-N 1 2 222.332 2.925 20 0 BFADLO C[C@@H]([NH2+]Cc1nccc2ccccc21)C(F)F ZINC000895730062 583713541 /nfs/dbraw/zinc/71/35/41/583713541.db2.gz OBOIRBWJXNEPMG-SECBINFHSA-N 1 2 236.265 2.978 20 0 BFADLO Cc1cc(CO)cc(C)c1CNc1cccc[nH+]1 ZINC000895743211 583716166 /nfs/dbraw/zinc/71/61/66/583716166.db2.gz VJYYIKZQODMYAX-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000895782356 583729678 /nfs/dbraw/zinc/72/96/78/583729678.db2.gz CJMNWUHAYYKNHU-SNVBAGLBSA-N 1 2 237.347 2.825 20 0 BFADLO CC(C)=CCC[C@@H](C)CC[NH2+][C@H]1CCOC1=O ZINC000895803112 583731304 /nfs/dbraw/zinc/73/13/04/583731304.db2.gz BYMFLFHVCQULPE-OLZOCXBDSA-N 1 2 239.359 2.664 20 0 BFADLO Cc1cc(C[NH+]2CC(OC(C)C)C2)cs1 ZINC000895954981 583752034 /nfs/dbraw/zinc/75/20/34/583752034.db2.gz KSUBVOMLDUXHOY-UHFFFAOYSA-N 1 2 225.357 2.666 20 0 BFADLO CCCC(C)(C)CC(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857978066 588926678 /nfs/dbraw/zinc/92/66/78/588926678.db2.gz BTEJUFGEJXOKJH-LLVKDONJSA-N 1 2 249.358 2.661 20 0 BFADLO CCC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc21)C(C)C ZINC000857980896 588927192 /nfs/dbraw/zinc/92/71/92/588927192.db2.gz SDQMGWBVROZMIE-NWDGAFQWSA-N 1 2 249.358 2.516 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@@H](C)CCO ZINC000896031921 583764317 /nfs/dbraw/zinc/76/43/17/583764317.db2.gz ZMKBYWGDTDXNGC-JTQLQIEISA-N 1 2 240.372 2.518 20 0 BFADLO C[C@@H](O)c1cccc(NCCC2CC=CC2)[nH+]1 ZINC000896094516 583771589 /nfs/dbraw/zinc/77/15/89/583771589.db2.gz OTSQMJAZUQBVIE-LLVKDONJSA-N 1 2 232.327 2.903 20 0 BFADLO CCC[C@@H](O)CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000896186812 583781146 /nfs/dbraw/zinc/78/11/46/583781146.db2.gz LWBTYYDQMTXSSF-GFCCVEGCSA-N 1 2 249.358 2.625 20 0 BFADLO Fc1c[nH+]ccc1N1CCC(F)(C2CC2)CC1 ZINC000896238104 583785417 /nfs/dbraw/zinc/78/54/17/583785417.db2.gz WKDXWGRAASRRIN-UHFFFAOYSA-N 1 2 238.281 2.939 20 0 BFADLO Cc1c[nH+]c2c(c1)N(C(=O)CC(C)(C)C)CCN2 ZINC000857996058 588930003 /nfs/dbraw/zinc/93/00/03/588930003.db2.gz LZRNWOJTQDOPTO-UHFFFAOYSA-N 1 2 247.342 2.585 20 0 BFADLO CC/C=C(\C)C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857997252 588930405 /nfs/dbraw/zinc/93/04/05/588930405.db2.gz LZSCRGVCHQJCLD-VZUCSPMQSA-N 1 2 245.326 2.505 20 0 BFADLO CCc1onc(C)c1CNc1nc[nH+]c(C)c1C ZINC000896665194 583821779 /nfs/dbraw/zinc/82/17/79/583821779.db2.gz GQUAXGVKAYJMNX-UHFFFAOYSA-N 1 2 246.314 2.564 20 0 BFADLO Cc1cc(C[N@@H+]2CCn3cccc3C2)c(C)o1 ZINC000896761611 583831358 /nfs/dbraw/zinc/83/13/58/583831358.db2.gz TXZZWOCMYMNOGS-UHFFFAOYSA-N 1 2 230.311 2.714 20 0 BFADLO Cc1cc(C[N@H+]2CCn3cccc3C2)c(C)o1 ZINC000896761611 583831360 /nfs/dbraw/zinc/83/13/60/583831360.db2.gz TXZZWOCMYMNOGS-UHFFFAOYSA-N 1 2 230.311 2.714 20 0 BFADLO Cc1cc(NCC[C@@H]2CCC(C)(C)CO2)nc[nH+]1 ZINC000896792959 583834642 /nfs/dbraw/zinc/83/46/42/583834642.db2.gz CAFQTNYVVOHGMX-LBPRGKRZSA-N 1 2 249.358 2.792 20 0 BFADLO Cc1[nH]c(CNC(=O)C2(C)CCCCC2)[nH+]c1C ZINC000896911141 583853114 /nfs/dbraw/zinc/85/31/14/583853114.db2.gz KEDICCCWIFKXDV-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO CCCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCC1 ZINC000896917217 583855560 /nfs/dbraw/zinc/85/55/60/583855560.db2.gz SBNKDWZZEBFXBT-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO CC(C)(C)c1cc2n(n1)CC[N@H+](CC1(C)CC1)C2 ZINC000896942627 583863176 /nfs/dbraw/zinc/86/31/76/583863176.db2.gz IBODKZLAAMNYLO-UHFFFAOYSA-N 1 2 247.386 2.796 20 0 BFADLO CC(C)(C)c1cc2n(n1)CC[N@@H+](CC1(C)CC1)C2 ZINC000896942627 583863178 /nfs/dbraw/zinc/86/31/78/583863178.db2.gz IBODKZLAAMNYLO-UHFFFAOYSA-N 1 2 247.386 2.796 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCC[C@@H]3CCO3)ccc2O1 ZINC000897114817 583882034 /nfs/dbraw/zinc/88/20/34/583882034.db2.gz WJGCZQYNOQDZLW-BXUZGUMPSA-N 1 2 247.338 2.991 20 0 BFADLO CO[C@@H]1CC[C@H]1N(C)c1[nH+]ccc2ccccc21 ZINC000897142847 583884123 /nfs/dbraw/zinc/88/41/23/583884123.db2.gz TZSXTNIBEOXSFI-ZIAGYGMSSA-N 1 2 242.322 2.848 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]3CCC[C@@H]32)[nH+]1 ZINC000897177508 583890681 /nfs/dbraw/zinc/89/06/81/583890681.db2.gz QMGFOYUGDYBCBQ-SRRSOLGSSA-N 1 2 232.327 2.735 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1ccc(F)nc1C ZINC000858258894 588941272 /nfs/dbraw/zinc/94/12/72/588941272.db2.gz KGQNCKRPOHMVGO-UHFFFAOYSA-N 1 2 232.249 2.664 20 0 BFADLO c1csc(C[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000897289447 583910942 /nfs/dbraw/zinc/91/09/42/583910942.db2.gz XKDGHVDICWLZAN-LLVKDONJSA-N 1 2 245.351 2.607 20 0 BFADLO Cc1cc(N2CCc3cc(F)ccc32)nc(C)[nH+]1 ZINC000337781418 583917181 /nfs/dbraw/zinc/91/71/81/583917181.db2.gz BHJRYDUEVJTTBM-UHFFFAOYSA-N 1 2 243.285 2.927 20 0 BFADLO CCc1nc(N[C@H]2CCOC23CCCC3)cc[nH+]1 ZINC000897319830 583921020 /nfs/dbraw/zinc/92/10/20/583921020.db2.gz BDMZXUQMTZEMEF-NSHDSACASA-N 1 2 247.342 2.553 20 0 BFADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccns1 ZINC000858317002 588944480 /nfs/dbraw/zinc/94/44/80/588944480.db2.gz QJYAYBOYFZBCGB-MRVPVSSYSA-N 1 2 249.339 2.859 20 0 BFADLO Cc1nocc1NC(=O)Nc1c(C)cc[nH+]c1C ZINC000888130712 583968265 /nfs/dbraw/zinc/96/82/65/583968265.db2.gz BVCWPGQBCXPVHJ-UHFFFAOYSA-N 1 2 246.270 2.639 20 0 BFADLO CCCCCC(C)(C)C(=O)NCc1c[nH+]c[nH]1 ZINC000753337901 583990480 /nfs/dbraw/zinc/99/04/80/583990480.db2.gz ABNGKSJSORHYOA-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO CCCCCC(C)(C)C(=O)NCc1c[nH]c[nH+]1 ZINC000753337901 583990483 /nfs/dbraw/zinc/99/04/83/583990483.db2.gz ABNGKSJSORHYOA-UHFFFAOYSA-N 1 2 237.347 2.632 20 0 BFADLO CCC/C=C\C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000729359586 583994250 /nfs/dbraw/zinc/99/42/50/583994250.db2.gz STOSMWGXOBHKRE-WAYWQWQTSA-N 1 2 243.310 2.938 20 0 BFADLO c1ccc(N2CCCC[C@H]([C@@H]3CCOC3)C2)[nH+]c1 ZINC000897569412 584019539 /nfs/dbraw/zinc/01/95/39/584019539.db2.gz QCHYBULZJBUGCK-UONOGXRCSA-N 1 2 246.354 2.725 20 0 BFADLO Cc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cn1 ZINC000786576605 584024258 /nfs/dbraw/zinc/02/42/58/584024258.db2.gz VUNDSYCAMSIKQV-UHFFFAOYSA-N 1 2 238.294 2.878 20 0 BFADLO C[C@@H](Nc1ccc([C@H](C)O)c[nH+]1)c1ccc[nH]1 ZINC000865648077 584025226 /nfs/dbraw/zinc/02/52/26/584025226.db2.gz SFQYWVJCXQEXOA-ZJUUUORDSA-N 1 2 231.299 2.636 20 0 BFADLO CC(C)Cc1cc(N[C@H]2CCCOCC2)nc[nH+]1 ZINC000865660177 584026433 /nfs/dbraw/zinc/02/64/33/584026433.db2.gz JRPHOEUUTZWTIM-LBPRGKRZSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1c[nH]c(C[N@@H+](C)Cc2c(C)cccc2C)n1 ZINC000897624292 584032781 /nfs/dbraw/zinc/03/27/81/584032781.db2.gz HMBIKBHEEHPHOH-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO Cc1c[nH]c(C[N@H+](C)Cc2c(C)cccc2C)n1 ZINC000897624292 584032782 /nfs/dbraw/zinc/03/27/82/584032782.db2.gz HMBIKBHEEHPHOH-UHFFFAOYSA-N 1 2 243.354 2.967 20 0 BFADLO CC(C)c1cncc(NCc2c[nH+]c[nH]2)c1 ZINC000897707292 584041407 /nfs/dbraw/zinc/04/14/07/584041407.db2.gz KSDURCRFOJMFPP-UHFFFAOYSA-N 1 2 216.288 2.540 20 0 BFADLO CC(C)c1cncc(NCc2c[nH+]cn2C)c1 ZINC000897707494 584041705 /nfs/dbraw/zinc/04/17/05/584041705.db2.gz PXNODIJMRYFGOO-UHFFFAOYSA-N 1 2 230.315 2.551 20 0 BFADLO Cc1n[nH]cc1CNc1c[nH+]cc(C(C)C)c1 ZINC000897707247 584041783 /nfs/dbraw/zinc/04/17/83/584041783.db2.gz JBSATXBQLVBGMQ-UHFFFAOYSA-N 1 2 230.315 2.849 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897715700 584043688 /nfs/dbraw/zinc/04/36/88/584043688.db2.gz OQOUZRHWHPKMDR-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO CCn1cncc1CNc1ccc(C2CC2)c[nH+]1 ZINC000897715700 584043691 /nfs/dbraw/zinc/04/36/91/584043691.db2.gz OQOUZRHWHPKMDR-UHFFFAOYSA-N 1 2 242.326 2.788 20 0 BFADLO C[C@H]([NH2+]Cc1nccn1C1CC1)c1cncs1 ZINC000897929343 584060756 /nfs/dbraw/zinc/06/07/56/584060756.db2.gz RKOUQNPUJAGHSN-VIFPVBQESA-N 1 2 248.355 2.525 20 0 BFADLO F[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1F ZINC000858558829 588965793 /nfs/dbraw/zinc/96/57/93/588965793.db2.gz AHYNERGEMAPSFV-TXEJJXNPSA-N 1 2 234.249 2.731 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccns2)no1 ZINC000858576073 588967694 /nfs/dbraw/zinc/96/76/94/588967694.db2.gz HOAABOJGAOFVNW-BDAKNGLRSA-N 1 2 237.328 2.851 20 0 BFADLO C[C@@H](Nc1nc(Cl)cs1)c1[nH+]ccn1C ZINC000858634636 588972341 /nfs/dbraw/zinc/97/23/41/588972341.db2.gz HGSMRPKARDTFLC-ZCFIWIBFSA-N 1 2 242.735 2.703 20 0 BFADLO CN(C(=O)Cc1c[nH+]c[nH]1)C1CCCCCCC1 ZINC000900461160 584313765 /nfs/dbraw/zinc/31/37/65/584313765.db2.gz MJWOLBQTWSUEOO-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CC(C(=O)NCc1[nH]c(C)c(C)[nH+]1)=C1CCCC1 ZINC000900998366 584375379 /nfs/dbraw/zinc/37/53/79/584375379.db2.gz SQNHHFUAHHICLC-UHFFFAOYSA-N 1 2 247.342 2.533 20 0 BFADLO CO[C@H]1C[C@@H](C[NH2+][C@@H](C(C)C)C(F)(F)F)C1 ZINC000901412589 584440905 /nfs/dbraw/zinc/44/09/05/584440905.db2.gz MAGQKDCLFJXOMM-AEJSXWLSSA-N 1 2 239.281 2.588 20 0 BFADLO CC(C)[C@H]([NH2+]CC1CCC1)C(F)(F)F ZINC000901412821 584440926 /nfs/dbraw/zinc/44/09/26/584440926.db2.gz MZLXRMUSCBHBGR-VIFPVBQESA-N 1 2 209.255 2.963 20 0 BFADLO Cc1[nH]c(/C=C/c2nc(Cl)ncc2C)[nH+]c1C ZINC000901502850 584454870 /nfs/dbraw/zinc/45/48/70/584454870.db2.gz NBVLNHAAFJLVDN-SNAWJCMRSA-N 1 2 248.717 2.949 20 0 BFADLO c1cn(-c2ccc(CSC3COC3)cc2)c[nH+]1 ZINC000901645452 584474812 /nfs/dbraw/zinc/47/48/12/584474812.db2.gz XQMQWTANNMZYJC-UHFFFAOYSA-N 1 2 246.335 2.504 20 0 BFADLO c1cn(CCSCc2ccsc2)c[nH+]1 ZINC000901839447 584500337 /nfs/dbraw/zinc/50/03/37/584500337.db2.gz JSMVQUJQXFEAPE-UHFFFAOYSA-N 1 2 224.354 2.878 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2C[C@@]23CCOC3)c(C)c1 ZINC000901982257 584511657 /nfs/dbraw/zinc/51/16/57/584511657.db2.gz PPYDLTHSBFFBOK-SWLSCSKDSA-N 1 2 247.338 2.842 20 0 BFADLO CCOc1ccccc1NCc1cn(CC)c[nH+]1 ZINC000902244472 584546573 /nfs/dbraw/zinc/54/65/73/584546573.db2.gz XFCLBCWWZGAMTA-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO CCc1[nH+]c(C)ccc1OC[C@@H]1C[C@@]12CCOC2 ZINC000902355877 584570042 /nfs/dbraw/zinc/57/00/42/584570042.db2.gz VGXMFZYFKSQGFC-SWLSCSKDSA-N 1 2 247.338 2.758 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccnc(F)c1 ZINC000859059916 588995452 /nfs/dbraw/zinc/99/54/52/588995452.db2.gz KYFIIOSJHWWMSI-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccnc(F)c1 ZINC000859059916 588995453 /nfs/dbraw/zinc/99/54/53/588995453.db2.gz KYFIIOSJHWWMSI-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(C)cc2F)c1 ZINC000902428472 584594709 /nfs/dbraw/zinc/59/47/09/584594709.db2.gz DDAVNMTXSLUKQC-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1c[nH+]c(CNc2ccc(F)c(OC)c2)c1 ZINC000902518376 584630832 /nfs/dbraw/zinc/63/08/32/584630832.db2.gz PYCIUDXCQZWDLZ-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCNc1ccccc1C[NH2+]C(CF)CF ZINC000902577645 584637678 /nfs/dbraw/zinc/63/76/78/584637678.db2.gz GHEJUZXSGKWGOO-UHFFFAOYSA-N 1 2 228.286 2.516 20 0 BFADLO COCCCOc1ccc2c[nH+]ccc2c1 ZINC000902638023 584649373 /nfs/dbraw/zinc/64/93/73/584649373.db2.gz MLNFFHHHCGEEGK-UHFFFAOYSA-N 1 2 217.268 2.650 20 0 BFADLO c1c[nH+]c(C2CC2)c(NC[C@H]2CCCOC2)c1 ZINC000902695400 584656806 /nfs/dbraw/zinc/65/68/06/584656806.db2.gz SMRWKDAASNSTLY-LLVKDONJSA-N 1 2 232.327 2.798 20 0 BFADLO Cn1c[nH+]c(CNc2ccc(C(C)(C)C)nc2)c1 ZINC000902714184 584657299 /nfs/dbraw/zinc/65/72/99/584657299.db2.gz LEZGNJNXKWHQDI-UHFFFAOYSA-N 1 2 244.342 2.725 20 0 BFADLO Cc1cc(C)[nH+]c(Cn2cnc(C(C)(C)C)n2)c1 ZINC000902742982 584663817 /nfs/dbraw/zinc/66/38/17/584663817.db2.gz ACCOPFRJAPAAOP-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO C[C@H](O[NH+]=C(N)COC1CCC1)c1ccccc1 ZINC000902774703 584668498 /nfs/dbraw/zinc/66/84/98/584668498.db2.gz GHIXSTRCTRTYML-NSHDSACASA-N 1 2 248.326 2.815 20 0 BFADLO COC/C(C)=C/COc1ccc2c(c1)[nH+]cn2C ZINC000902781117 584670473 /nfs/dbraw/zinc/67/04/73/584670473.db2.gz FVNDDCGHYYRIKN-IZZDOVSWSA-N 1 2 246.310 2.545 20 0 BFADLO Oc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000902992069 584710016 /nfs/dbraw/zinc/71/00/16/584710016.db2.gz GLWWMEIXMUUGCH-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO Oc1ccc(Cl)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000902992069 584710018 /nfs/dbraw/zinc/71/00/18/584710018.db2.gz GLWWMEIXMUUGCH-SNVBAGLBSA-N 1 2 243.709 2.980 20 0 BFADLO F[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000902992316 584710826 /nfs/dbraw/zinc/71/08/26/584710826.db2.gz JPLJXZYVALJFEU-ZETCQYMHSA-N 1 2 212.095 2.739 20 0 BFADLO F[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000902992316 584710827 /nfs/dbraw/zinc/71/08/27/584710827.db2.gz JPLJXZYVALJFEU-ZETCQYMHSA-N 1 2 212.095 2.739 20 0 BFADLO C[C@H](Nc1cc(F)cc(N(C)C)c1)c1[nH]cc[nH+]1 ZINC000903143042 584730811 /nfs/dbraw/zinc/73/08/11/584730811.db2.gz MVTBDTOINFIXEG-VIFPVBQESA-N 1 2 248.305 2.788 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ncco1)c1cncs1 ZINC000903312175 584748263 /nfs/dbraw/zinc/74/82/63/584748263.db2.gz UAZXTVCCVPRRFD-YUMQZZPRSA-N 1 2 223.301 2.543 20 0 BFADLO C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1ncco1 ZINC000903430485 584761870 /nfs/dbraw/zinc/76/18/70/584761870.db2.gz XSDDQLBDMPLPLA-ZWNOBZJWSA-N 1 2 243.310 2.872 20 0 BFADLO c1ccc2cc(CCN3CC=CC[NH2+]3)ccc2c1 ZINC000903488614 584780636 /nfs/dbraw/zinc/78/06/36/584780636.db2.gz NMFYPGLLWQMMBC-UHFFFAOYSA-N 1 2 238.334 2.759 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc([C@H](C)C2CC2)n1 ZINC000904269613 584858461 /nfs/dbraw/zinc/85/84/61/584858461.db2.gz MSXZNVRIVBHYBL-MRVPVSSYSA-N 1 2 244.298 2.536 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc(CCC(C)C)n1 ZINC000904271958 584858593 /nfs/dbraw/zinc/85/85/93/584858593.db2.gz FZZYIBMVTDAEKU-UHFFFAOYSA-N 1 2 246.314 2.611 20 0 BFADLO CCC(C)(C)c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904260629 584859451 /nfs/dbraw/zinc/85/94/51/584859451.db2.gz RDPNABHAQQNTKD-UHFFFAOYSA-N 1 2 246.314 2.710 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1noc(C2CCCC2)n1 ZINC000904257142 584859504 /nfs/dbraw/zinc/85/95/04/584859504.db2.gz QLXNBEXTCZCXRR-UHFFFAOYSA-N 1 2 244.298 2.680 20 0 BFADLO Cc1cc(NCc2[nH+]ccn2C2CC2)ccc1N ZINC000904378361 584875932 /nfs/dbraw/zinc/87/59/32/584875932.db2.gz BPQXGZTVSTYXNZ-UHFFFAOYSA-N 1 2 242.326 2.721 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761099329 584909880 /nfs/dbraw/zinc/90/98/80/584909880.db2.gz WNTJVTOQOKTLGT-NWDGAFQWSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCCCC2)n1)[N@H+]1CC[C@H]2C[C@H]21 ZINC000761099329 584909881 /nfs/dbraw/zinc/90/98/81/584909881.db2.gz WNTJVTOQOKTLGT-NWDGAFQWSA-N 1 2 247.342 2.712 20 0 BFADLO Oc1cccc2ccc(/C=C/c3[nH]cc[nH+]3)nc12 ZINC000731156781 584922715 /nfs/dbraw/zinc/92/27/15/584922715.db2.gz LTEYGFJQLOQABO-VOTSOKGWSA-N 1 2 237.262 2.834 20 0 BFADLO C(=C/c1[nH]cc[nH+]1)\c1nc2ccccc2o1 ZINC000731156812 584923069 /nfs/dbraw/zinc/92/30/69/584923069.db2.gz MSZMXTPOCUGLBC-AATRIKPKSA-N 1 2 211.224 2.721 20 0 BFADLO Cc1cc(N[C@H](C)COc2ccccc2)nc[nH+]1 ZINC000732920456 584941776 /nfs/dbraw/zinc/94/17/76/584941776.db2.gz USZUZJSHFHNCLC-GFCCVEGCSA-N 1 2 243.310 2.664 20 0 BFADLO C[C@@H]1C[C@@H](C)C[NH+](CC(F)(F)C(F)F)C1 ZINC000733896459 584954722 /nfs/dbraw/zinc/95/47/22/584954722.db2.gz DSBGUPZRSRWLMR-HTQZYQBOSA-N 1 2 227.245 2.865 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@@H+](CC(F)(F)C(F)F)C1 ZINC000733896460 584954724 /nfs/dbraw/zinc/95/47/24/584954724.db2.gz DSBGUPZRSRWLMR-OCAPTIKFSA-N 1 2 227.245 2.865 20 0 BFADLO C[C@@H]1C[C@H](C)C[N@H+](CC(F)(F)C(F)F)C1 ZINC000733896460 584954725 /nfs/dbraw/zinc/95/47/25/584954725.db2.gz DSBGUPZRSRWLMR-OCAPTIKFSA-N 1 2 227.245 2.865 20 0 BFADLO CCC/C=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733966524 584955829 /nfs/dbraw/zinc/95/58/29/584955829.db2.gz BSTBVBQWIFNERO-SNAWJCMRSA-N 1 2 229.283 2.629 20 0 BFADLO CCc1nocc1CNc1ccc([NH+](C)C)cc1 ZINC000815128985 584972640 /nfs/dbraw/zinc/97/26/40/584972640.db2.gz DOHXXQXVXKQFBG-UHFFFAOYSA-N 1 2 245.326 2.915 20 0 BFADLO C/C(=C/C(C)(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819781188 585007333 /nfs/dbraw/zinc/00/73/33/585007333.db2.gz JGKNSTUZTRLXIP-XZLDQRQTSA-N 1 2 240.372 2.586 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000738429261 585045909 /nfs/dbraw/zinc/04/59/09/585045909.db2.gz RMJLTYLAQKRYOX-OLZOCXBDSA-N 1 2 249.354 2.640 20 0 BFADLO CC/C(C)=C\C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838957165 585080886 /nfs/dbraw/zinc/08/08/86/585080886.db2.gz YAGXWAWZDBHFRX-LUAWRHEFSA-N 1 2 248.326 2.547 20 0 BFADLO CCC1(CC)C[NH+](Cc2cnn(C)c2Cl)C1 ZINC000839131660 585093841 /nfs/dbraw/zinc/09/38/41/585093841.db2.gz CNIIQUZNZJUANY-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO Cc1cc(C)c(NC(=O)C(F)(F)F)c(C)[nH+]1 ZINC000839455680 585104745 /nfs/dbraw/zinc/10/47/45/585104745.db2.gz KORKQVXURHEFDW-UHFFFAOYSA-N 1 2 232.205 2.508 20 0 BFADLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c(=S)s1 ZINC000740860929 585107532 /nfs/dbraw/zinc/10/75/32/585107532.db2.gz JQRPTNCFXFSYLK-HTQZYQBOSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1nn(C[N@H+]2C[C@H](C)C[C@H]2C)c(=S)s1 ZINC000740860929 585107533 /nfs/dbraw/zinc/10/75/33/585107533.db2.gz JQRPTNCFXFSYLK-HTQZYQBOSA-N 1 2 243.401 2.670 20 0 BFADLO Cc1[nH+]c(-c2nc(C3CC3)no2)c2ccccn12 ZINC000741447298 585114007 /nfs/dbraw/zinc/11/40/07/585114007.db2.gz MKLRJZPEGUJFSJ-UHFFFAOYSA-N 1 2 240.266 2.570 20 0 BFADLO CC/C=C(\C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000741970458 585121299 /nfs/dbraw/zinc/12/12/99/585121299.db2.gz HERCWNOBGHJRFW-BJMVGYQFSA-N 1 2 229.283 2.629 20 0 BFADLO CCCCCC[C@H](C)C(=O)NCc1[nH]cc[nH+]1 ZINC000742074979 585121877 /nfs/dbraw/zinc/12/18/77/585121877.db2.gz VKJRZEFUDVWOGY-NSHDSACASA-N 1 2 237.347 2.632 20 0 BFADLO CSCCCO[NH+]=C(N)Cc1cccs1 ZINC000742359123 585124701 /nfs/dbraw/zinc/12/47/01/585124701.db2.gz LYYSAWMNZSVIIO-UHFFFAOYSA-N 1 2 244.385 2.542 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000742725162 585130711 /nfs/dbraw/zinc/13/07/11/585130711.db2.gz HJTNDHLNZNQOTO-HNNXBMFYSA-N 1 2 241.338 2.804 20 0 BFADLO OCCCC[N@H+](C/C(Cl)=C\Cl)C1CC1 ZINC000746506523 585169663 /nfs/dbraw/zinc/16/96/63/585169663.db2.gz WYCHTCXQEAPJMJ-VQHVLOKHSA-N 1 2 238.158 2.542 20 0 BFADLO OCCCC[N@@H+](C/C(Cl)=C\Cl)C1CC1 ZINC000746506523 585169664 /nfs/dbraw/zinc/16/96/64/585169664.db2.gz WYCHTCXQEAPJMJ-VQHVLOKHSA-N 1 2 238.158 2.542 20 0 BFADLO COC[C@H]([NH2+]Cc1ccoc1)c1ccc(C)o1 ZINC000747099455 585175066 /nfs/dbraw/zinc/17/50/66/585175066.db2.gz CDYIVMXJDSBDDW-LBPRGKRZSA-N 1 2 235.283 2.658 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)C(C)C)c(N(C)C)[nH+]1 ZINC000749995335 585209294 /nfs/dbraw/zinc/20/92/94/585209294.db2.gz BRJVMDRCTHCBSQ-NSHDSACASA-N 1 2 249.358 2.687 20 0 BFADLO C/C=C(/C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000751190069 585225236 /nfs/dbraw/zinc/22/52/36/585225236.db2.gz CENIAXQOJYNTJY-JYOAFUTRSA-N 1 2 241.294 2.777 20 0 BFADLO Cn1c[nH+]cc1CSC1=Nc2ccccc2C1 ZINC000753061827 585252844 /nfs/dbraw/zinc/25/28/44/585252844.db2.gz QDIGQPRTDSZUAG-UHFFFAOYSA-N 1 2 243.335 2.940 20 0 BFADLO C[C@@H]([N@H+](C)Cn1ncsc1=S)C1(C)CC1 ZINC000753107501 585253552 /nfs/dbraw/zinc/25/35/52/585253552.db2.gz ASARBPRHTPEDKR-MRVPVSSYSA-N 1 2 243.401 2.752 20 0 BFADLO C[C@@H]([N@@H+](C)Cn1ncsc1=S)C1(C)CC1 ZINC000753107501 585253553 /nfs/dbraw/zinc/25/35/53/585253553.db2.gz ASARBPRHTPEDKR-MRVPVSSYSA-N 1 2 243.401 2.752 20 0 BFADLO CC(C)c1nc(N2CC3(CC(F)C3)C2)cc[nH+]1 ZINC000753813522 585270131 /nfs/dbraw/zinc/27/01/31/585270131.db2.gz CREBIXIZPHZOJF-UHFFFAOYSA-N 1 2 235.306 2.538 20 0 BFADLO CS/C=C\C(=O)Nc1ccc(C)[nH+]c1C ZINC000755772617 585306845 /nfs/dbraw/zinc/30/68/45/585306845.db2.gz ZIMPMRXLGBHBGM-SREVYHEPSA-N 1 2 222.313 2.514 20 0 BFADLO CO[C@H](C)C(N)=[NH+]OCC[C@@H]1CCC[C@@H](C)C1 ZINC000756886553 585324676 /nfs/dbraw/zinc/32/46/76/585324676.db2.gz PYSPHCUXSQLJET-UTUOFQBUSA-N 1 2 242.363 2.736 20 0 BFADLO Cc1ccc(N(C)Cc2[nH+]ccn2C)c(F)c1 ZINC000839648345 585333476 /nfs/dbraw/zinc/33/34/76/585333476.db2.gz MSODRPQYTYHBJR-UHFFFAOYSA-N 1 2 233.290 2.504 20 0 BFADLO CC(C)=C(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000757381322 585334181 /nfs/dbraw/zinc/33/41/81/585334181.db2.gz GBXWQZSFFGTCDM-UHFFFAOYSA-N 1 2 229.283 2.629 20 0 BFADLO CCCCCC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000839671764 585336489 /nfs/dbraw/zinc/33/64/89/585336489.db2.gz PEODCVSUDLHKEE-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CCCCCC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000839671764 585336490 /nfs/dbraw/zinc/33/64/90/585336490.db2.gz PEODCVSUDLHKEE-UHFFFAOYSA-N 1 2 237.347 2.959 20 0 BFADLO CC[C@@]1(C)CC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000758745489 585359343 /nfs/dbraw/zinc/35/93/43/585359343.db2.gz CYMVFWALJBVDSI-LBPRGKRZSA-N 1 2 241.766 2.696 20 0 BFADLO CC[C@@]1(C)CC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000758745489 585359344 /nfs/dbraw/zinc/35/93/44/585359344.db2.gz CYMVFWALJBVDSI-LBPRGKRZSA-N 1 2 241.766 2.696 20 0 BFADLO COCC[N@H+](CCF)[C@@H](C)c1ccccc1F ZINC000759330111 585367762 /nfs/dbraw/zinc/36/77/62/585367762.db2.gz DFDIRJLMTMSYHH-NSHDSACASA-N 1 2 243.297 2.805 20 0 BFADLO COCC[N@@H+](CCF)[C@@H](C)c1ccccc1F ZINC000759330111 585367763 /nfs/dbraw/zinc/36/77/63/585367763.db2.gz DFDIRJLMTMSYHH-NSHDSACASA-N 1 2 243.297 2.805 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@H+](CCF)[C@@H](C)CO1 ZINC000759348259 585370687 /nfs/dbraw/zinc/37/06/87/585370687.db2.gz SUSSMYGBABWAJF-JSGCOSHPSA-N 1 2 237.318 2.726 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@@H+](CCF)[C@@H](C)CO1 ZINC000759348259 585370688 /nfs/dbraw/zinc/37/06/88/585370688.db2.gz SUSSMYGBABWAJF-JSGCOSHPSA-N 1 2 237.318 2.726 20 0 BFADLO CCC(C)(C)CNC(=O)c1cccc2[nH+]ccn21 ZINC000759359916 585371471 /nfs/dbraw/zinc/37/14/71/585371471.db2.gz LNAVEJUGBFIYTB-UHFFFAOYSA-N 1 2 245.326 2.500 20 0 BFADLO CCc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000761045484 585404252 /nfs/dbraw/zinc/40/42/52/585404252.db2.gz QHRPLPNJHFRQQM-MRVPVSSYSA-N 1 2 248.248 2.621 20 0 BFADLO CCc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)o1 ZINC000761045484 585404253 /nfs/dbraw/zinc/40/42/53/585404253.db2.gz QHRPLPNJHFRQQM-MRVPVSSYSA-N 1 2 248.248 2.621 20 0 BFADLO CCO[C@@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763562815 585450629 /nfs/dbraw/zinc/45/06/29/585450629.db2.gz YKQRPVXGYWMROI-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CCO[C@@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763562815 585450630 /nfs/dbraw/zinc/45/06/30/585450630.db2.gz YKQRPVXGYWMROI-OLKPEBQYSA-N 1 2 238.158 2.806 20 0 BFADLO CCO[C@H]1CCC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000763562816 585450682 /nfs/dbraw/zinc/45/06/82/585450682.db2.gz YKQRPVXGYWMROI-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CCO[C@H]1CCC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000763562816 585450683 /nfs/dbraw/zinc/45/06/83/585450683.db2.gz YKQRPVXGYWMROI-ZKXNXJMVSA-N 1 2 238.158 2.806 20 0 BFADLO CS/C=C\C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000764237188 585461760 /nfs/dbraw/zinc/46/17/60/585461760.db2.gz TVHSFUJQXFIKAT-WAYWQWQTSA-N 1 2 236.340 2.822 20 0 BFADLO CCC[C@@H](C(=O)OCc1c[nH+]cn1C)C(C)C ZINC000764661369 585470288 /nfs/dbraw/zinc/47/02/88/585470288.db2.gz ADJHWRPZKWMXKW-GFCCVEGCSA-N 1 2 238.331 2.536 20 0 BFADLO CO[C@H](C)c1nc(C[N@H+](C)CCCF)cs1 ZINC000766087120 585497626 /nfs/dbraw/zinc/49/76/26/585497626.db2.gz QZHGCCHTOYHUEN-SECBINFHSA-N 1 2 246.351 2.642 20 0 BFADLO CO[C@H](C)c1nc(C[N@@H+](C)CCCF)cs1 ZINC000766087120 585497627 /nfs/dbraw/zinc/49/76/27/585497627.db2.gz QZHGCCHTOYHUEN-SECBINFHSA-N 1 2 246.351 2.642 20 0 BFADLO CC1(C[NH2+]c2ccc(OCCO)cc2)CCC1 ZINC000766213442 585499046 /nfs/dbraw/zinc/49/90/46/585499046.db2.gz OZORLEQMEYZCIB-UHFFFAOYSA-N 1 2 235.327 2.660 20 0 BFADLO CCCCCO[NH+]=C(N)Cc1cccs1 ZINC000766741439 585507716 /nfs/dbraw/zinc/50/77/16/585507716.db2.gz IRZUTRHYNIJFEP-UHFFFAOYSA-N 1 2 226.345 2.979 20 0 BFADLO Cc1ccc(C[N@H+](Cc2cncnc2)C2CC2)o1 ZINC000768264402 585534823 /nfs/dbraw/zinc/53/48/23/585534823.db2.gz NXOSEVJAABILHQ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ccc(C[N@@H+](Cc2cncnc2)C2CC2)o1 ZINC000768264402 585534824 /nfs/dbraw/zinc/53/48/24/585534824.db2.gz NXOSEVJAABILHQ-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccoc2)no1 ZINC000768428305 585538572 /nfs/dbraw/zinc/53/85/72/585538572.db2.gz HHXPOGDNZDWSJN-CYBMUJFWSA-N 1 2 232.283 2.913 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccoc2)no1 ZINC000768428305 585538573 /nfs/dbraw/zinc/53/85/73/585538573.db2.gz HHXPOGDNZDWSJN-CYBMUJFWSA-N 1 2 232.283 2.913 20 0 BFADLO CC/C=C\CCO[NH+]=C(N)c1ccccc1 ZINC000768922229 585546080 /nfs/dbraw/zinc/54/60/80/585546080.db2.gz FLGZSQILEWJXJL-ARJAWSKDSA-N 1 2 218.300 2.889 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000769103976 585548976 /nfs/dbraw/zinc/54/89/76/585548976.db2.gz VAEGEUHRBHCIFJ-SSDOTTSWSA-N 1 2 248.157 2.569 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000769103976 585548977 /nfs/dbraw/zinc/54/89/77/585548977.db2.gz VAEGEUHRBHCIFJ-SSDOTTSWSA-N 1 2 248.157 2.569 20 0 BFADLO FCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227472 585551235 /nfs/dbraw/zinc/55/12/35/585551235.db2.gz CYKLWUSENSBQMX-SECBINFHSA-N 1 2 229.245 2.724 20 0 BFADLO FCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769227472 585551236 /nfs/dbraw/zinc/55/12/36/585551236.db2.gz CYKLWUSENSBQMX-SECBINFHSA-N 1 2 229.245 2.724 20 0 BFADLO CCCN(CCC)C(=O)c1cccc2[nH+]ccn21 ZINC000770064147 585570533 /nfs/dbraw/zinc/57/05/33/585570533.db2.gz CRNSABSURMQXKS-UHFFFAOYSA-N 1 2 245.326 2.597 20 0 BFADLO c1oc(C2CC2)nc1C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000770378647 585573571 /nfs/dbraw/zinc/57/35/71/585573571.db2.gz BUVADOPOZPDYHI-QWHCGFSZSA-N 1 2 230.311 2.845 20 0 BFADLO c1oc(C2CC2)nc1C[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000770378647 585573572 /nfs/dbraw/zinc/57/35/72/585573572.db2.gz BUVADOPOZPDYHI-QWHCGFSZSA-N 1 2 230.311 2.845 20 0 BFADLO CCCC(=CC(=O)NCc1c[nH+]c[nH]1)CCC ZINC000770756658 585581314 /nfs/dbraw/zinc/58/13/14/585581314.db2.gz SLKBUHFEFCIEJP-UHFFFAOYSA-N 1 2 235.331 2.553 20 0 BFADLO CCCC(=CC(=O)NCc1c[nH]c[nH+]1)CCC ZINC000770756658 585581315 /nfs/dbraw/zinc/58/13/15/585581315.db2.gz SLKBUHFEFCIEJP-UHFFFAOYSA-N 1 2 235.331 2.553 20 0 BFADLO CCC[C@@H](C)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770924170 585584249 /nfs/dbraw/zinc/58/42/49/585584249.db2.gz CTXJWKOMZXQWNW-LLVKDONJSA-N 1 2 246.310 2.814 20 0 BFADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccon2)c(C)n1 ZINC000771386178 585593480 /nfs/dbraw/zinc/59/34/80/585593480.db2.gz CRKFSVAXFGQNKQ-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO CCC(C)(C)C(=O)OCc1c[nH+]ccc1OC ZINC000805439353 585596001 /nfs/dbraw/zinc/59/60/01/585596001.db2.gz UXTBNBYPYVOQAF-UHFFFAOYSA-N 1 2 237.299 2.570 20 0 BFADLO Cc1occc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000771955412 585605589 /nfs/dbraw/zinc/60/55/89/585605589.db2.gz VBYBBTMDEZDOAB-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO Cc1c[nH]cc1C(=O)OCc1ccc(C)[nH+]c1C ZINC000772043985 585607549 /nfs/dbraw/zinc/60/75/49/585607549.db2.gz XOAOILLFEONXDT-UHFFFAOYSA-N 1 2 244.294 2.692 20 0 BFADLO Cc1ccc(COC(=O)Cc2ccco2)c(C)[nH+]1 ZINC000772189782 585609371 /nfs/dbraw/zinc/60/93/71/585609371.db2.gz CVIFIUUIIDDODF-UHFFFAOYSA-N 1 2 245.278 2.577 20 0 BFADLO C/C=C(\C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772188110 585609725 /nfs/dbraw/zinc/60/97/25/585609725.db2.gz ZAQGSIFOODYMAF-WEVVVXLNSA-N 1 2 219.284 2.708 20 0 BFADLO CC/C(C)=C(/C)C(=O)OCc1c[nH+]ccc1OC ZINC000805528428 585669291 /nfs/dbraw/zinc/66/92/91/585669291.db2.gz SXUYNRFUENPRNI-KHPPLWFESA-N 1 2 249.310 2.880 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@@H](C)c1nccn1C ZINC000775396463 585677207 /nfs/dbraw/zinc/67/72/07/585677207.db2.gz ZNTPYZIKZRHROG-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO CC[C@](C)([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000775392184 585677363 /nfs/dbraw/zinc/67/73/63/585677363.db2.gz YYRRYHFDLVUURI-AWEZNQCLSA-N 1 2 245.326 2.793 20 0 BFADLO Cc1ccccc1C[N@@H+](C)CC(=O)OCC(C)C ZINC000776575740 585701004 /nfs/dbraw/zinc/70/10/04/585701004.db2.gz WWSUZAVAAFLLRF-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO Cc1ccccc1C[N@H+](C)CC(=O)OCC(C)C ZINC000776575740 585701005 /nfs/dbraw/zinc/70/10/05/585701005.db2.gz WWSUZAVAAFLLRF-UHFFFAOYSA-N 1 2 249.354 2.626 20 0 BFADLO COc1ccc([NH2+][C@H](C)C2CCOCC2)cc1 ZINC000776783079 585705428 /nfs/dbraw/zinc/70/54/28/585705428.db2.gz WCGBNYLKLIXGHU-LLVKDONJSA-N 1 2 235.327 2.922 20 0 BFADLO Clc1ccc2c(c1)CC[C@H]2[NH+]1CCOCC1 ZINC000777401223 585711290 /nfs/dbraw/zinc/71/12/90/585711290.db2.gz MIFGVYYIKOHMSI-CYBMUJFWSA-N 1 2 237.730 2.660 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1ccc(CF)cc1 ZINC000777582505 585716068 /nfs/dbraw/zinc/71/60/68/585716068.db2.gz JVRRGZGGBHAVHJ-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(CF)cc1 ZINC000777582505 585716069 /nfs/dbraw/zinc/71/60/69/585716069.db2.gz JVRRGZGGBHAVHJ-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000777602338 585716729 /nfs/dbraw/zinc/71/67/29/585716729.db2.gz LIQZVKBATIADLW-GFCCVEGCSA-N 1 2 248.370 2.980 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)C1CCOCC1 ZINC000777602338 585716730 /nfs/dbraw/zinc/71/67/30/585716730.db2.gz LIQZVKBATIADLW-GFCCVEGCSA-N 1 2 248.370 2.980 20 0 BFADLO CSc1ccc(NCc2ccc(F)nc2)[nH+]c1 ZINC000777733711 585719407 /nfs/dbraw/zinc/71/94/07/585719407.db2.gz UMOWCSVNUIHEHU-UHFFFAOYSA-N 1 2 249.314 2.950 20 0 BFADLO C[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C[C@@H]1F ZINC000778233375 585728949 /nfs/dbraw/zinc/72/89/49/585728949.db2.gz FOZCYJLXCWELTI-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C[C@@H]1F ZINC000778233375 585728950 /nfs/dbraw/zinc/72/89/50/585728950.db2.gz FOZCYJLXCWELTI-ONGXEEELSA-N 1 2 242.725 2.915 20 0 BFADLO Cc1ccc([C@H](O)C[N@@H+]2CCC=C(F)C2)cc1 ZINC000778960902 585742330 /nfs/dbraw/zinc/74/23/30/585742330.db2.gz MGLJNSMSFSBUHH-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO Cc1ccc([C@H](O)C[N@H+]2CCC=C(F)C2)cc1 ZINC000778960902 585742331 /nfs/dbraw/zinc/74/23/31/585742331.db2.gz MGLJNSMSFSBUHH-CQSZACIVSA-N 1 2 235.302 2.588 20 0 BFADLO CC(=O)Oc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000778961057 585743004 /nfs/dbraw/zinc/74/30/04/585743004.db2.gz NXMCHBDFIOYXFW-UHFFFAOYSA-N 1 2 249.285 2.671 20 0 BFADLO CC(=O)Oc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000778961057 585743005 /nfs/dbraw/zinc/74/30/05/585743005.db2.gz NXMCHBDFIOYXFW-UHFFFAOYSA-N 1 2 249.285 2.671 20 0 BFADLO Clc1nc2ccccn2c1C[N@H+]1CC=CCC1 ZINC000779160110 585746366 /nfs/dbraw/zinc/74/63/66/585746366.db2.gz UJNKSXCFFYJGPZ-UHFFFAOYSA-N 1 2 247.729 2.750 20 0 BFADLO Clc1nc2ccccn2c1C[N@@H+]1CC=CCC1 ZINC000779160110 585746367 /nfs/dbraw/zinc/74/63/67/585746367.db2.gz UJNKSXCFFYJGPZ-UHFFFAOYSA-N 1 2 247.729 2.750 20 0 BFADLO CC(C)Oc1ccc([NH2+][C@H](C)CCO)cc1 ZINC000779416124 585754281 /nfs/dbraw/zinc/75/42/81/585754281.db2.gz JCVFBHVPUNTPOY-LLVKDONJSA-N 1 2 223.316 2.657 20 0 BFADLO CCCOc1ccc([NH2+][C@H](C)CCO)cc1 ZINC000779418858 585754520 /nfs/dbraw/zinc/75/45/20/585754520.db2.gz FTJONTQOGHZUSO-LLVKDONJSA-N 1 2 223.316 2.658 20 0 BFADLO COc1ccc([NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000780736990 585783920 /nfs/dbraw/zinc/78/39/20/585783920.db2.gz CMISXRFQEKIOGK-VXGBXAGGSA-N 1 2 235.327 2.922 20 0 BFADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000780739884 585784210 /nfs/dbraw/zinc/78/42/10/585784210.db2.gz MONKEMWEVLFPPI-OLZOCXBDSA-N 1 2 248.370 2.980 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000780739884 585784211 /nfs/dbraw/zinc/78/42/11/585784211.db2.gz MONKEMWEVLFPPI-OLZOCXBDSA-N 1 2 248.370 2.980 20 0 BFADLO CC/C(C)=C(/C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000781011931 585788494 /nfs/dbraw/zinc/78/84/94/585788494.db2.gz AIYURIIZUANLMY-NLYDNYMLSA-N 1 2 247.342 2.820 20 0 BFADLO CC(C)OCC(N)=[NH+]OC[C@H]1CCC[C@H](C)C1 ZINC000781612584 585800259 /nfs/dbraw/zinc/80/02/59/585800259.db2.gz LHHKMOIYKSICCY-RYUDHWBXSA-N 1 2 242.363 2.736 20 0 BFADLO CN(C)c1cc(COc2ccccc2F)cc[nH+]1 ZINC000782111316 585807809 /nfs/dbraw/zinc/80/78/09/585807809.db2.gz RLAOBRMVEULERE-UHFFFAOYSA-N 1 2 246.285 2.866 20 0 BFADLO Cc1cc([NH2+][C@H](C)C2CCC2)ccc1OCCO ZINC000782782757 585824446 /nfs/dbraw/zinc/82/44/46/585824446.db2.gz HFWZPEXHUYBUQC-GFCCVEGCSA-N 1 2 249.354 2.967 20 0 BFADLO CC(C)CO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783153722 585828688 /nfs/dbraw/zinc/82/86/88/585828688.db2.gz ZBNKMTPXGBKJOQ-UHFFFAOYSA-N 1 2 224.279 2.523 20 0 BFADLO CCC/C(C)=C/C(=O)OCCCn1cc[nH+]c1 ZINC000783177610 585829053 /nfs/dbraw/zinc/82/90/53/585829053.db2.gz NUVGOIIGEDEIBF-ZRDIBKRKSA-N 1 2 236.315 2.563 20 0 BFADLO CC[C@@H](C)CCCCC(=O)NC1=[NH+]CCS1 ZINC000783871926 585845281 /nfs/dbraw/zinc/84/52/81/585845281.db2.gz QGBXOQWKSYIKDY-SNVBAGLBSA-N 1 2 242.388 2.812 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)[C@@H](F)C(C)C)cc2[nH+]1 ZINC000784152796 585851783 /nfs/dbraw/zinc/85/17/83/585851783.db2.gz LEODHXRVPKEEFW-LBPRGKRZSA-N 1 2 249.289 2.804 20 0 BFADLO Cc1[nH]c2cc(NC(=O)[C@@H](F)C(C)C)ccc2[nH+]1 ZINC000784152796 585851784 /nfs/dbraw/zinc/85/17/84/585851784.db2.gz LEODHXRVPKEEFW-LBPRGKRZSA-N 1 2 249.289 2.804 20 0 BFADLO CO[C@@H]1C[N@H+](C/C(Cl)=C\Cl)CC[C@@H]1C ZINC000784363441 585857185 /nfs/dbraw/zinc/85/71/85/585857185.db2.gz CFGHZXZJAIZUSW-UHHLUOIISA-N 1 2 238.158 2.662 20 0 BFADLO CO[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)CC[C@@H]1C ZINC000784363441 585857186 /nfs/dbraw/zinc/85/71/86/585857186.db2.gz CFGHZXZJAIZUSW-UHHLUOIISA-N 1 2 238.158 2.662 20 0 BFADLO CC[C@@H](NC(=O)C(C)=C1CCCC1)c1[nH]cc[nH+]1 ZINC000785421778 585873199 /nfs/dbraw/zinc/87/31/99/585873199.db2.gz SMNLQHHCHFVTOG-GFCCVEGCSA-N 1 2 247.342 2.868 20 0 BFADLO CN(CCO)c1ccc([NH2+]C2CC(C)(C)C2)cc1 ZINC000788598397 585927476 /nfs/dbraw/zinc/92/74/76/585927476.db2.gz VVHAGBBTZZIDCA-UHFFFAOYSA-N 1 2 248.370 2.716 20 0 BFADLO C/C=C(/CC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000788874734 585931716 /nfs/dbraw/zinc/93/17/16/585931716.db2.gz LIBFEHLDOOQWPI-XGICHPGQSA-N 1 2 249.358 2.512 20 0 BFADLO CCCC[C@H](CC)CO[NH+]=C(N)[C@H]1CCCO1 ZINC000789626327 585947344 /nfs/dbraw/zinc/94/73/44/585947344.db2.gz FHHYDWHGUZIVAM-NWDGAFQWSA-N 1 2 242.363 2.880 20 0 BFADLO C/C=C(\CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000789640899 585947403 /nfs/dbraw/zinc/94/74/03/585947403.db2.gz GHGLYMKUCUNOBV-XCVCLJGOSA-N 1 2 229.283 2.629 20 0 BFADLO Cn1c[nH+]c(CNc2cccc3cc[nH]c32)c1 ZINC000808406423 585959374 /nfs/dbraw/zinc/95/93/74/585959374.db2.gz HUCZCPNIANLXOQ-UHFFFAOYSA-N 1 2 226.283 2.514 20 0 BFADLO Cc1ccc(CSCc2ncccn2)c(C)[nH+]1 ZINC000790565869 585966292 /nfs/dbraw/zinc/96/62/92/585966292.db2.gz HZBIKJDWNZQUQS-UHFFFAOYSA-N 1 2 245.351 2.922 20 0 BFADLO CCC1(C(=O)OCc2cc[nH+]c(N)c2)CCCC1 ZINC000792016228 585993669 /nfs/dbraw/zinc/99/36/69/585993669.db2.gz KNOKAZTZWOURHN-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ncccn2)Cc2ccccc21 ZINC000792204860 585997867 /nfs/dbraw/zinc/99/78/67/585997867.db2.gz GRDKARMMZYGGQB-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ncccn2)Cc2ccccc21 ZINC000792204860 585997868 /nfs/dbraw/zinc/99/78/68/585997868.db2.gz GRDKARMMZYGGQB-GFCCVEGCSA-N 1 2 239.322 2.596 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2CC2(F)CC2)no1 ZINC000792788396 586005484 /nfs/dbraw/zinc/00/54/84/586005484.db2.gz CVTLVUSLRDVZCB-NSHDSACASA-N 1 2 224.279 2.622 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2CC2(F)CC2)no1 ZINC000792788396 586005485 /nfs/dbraw/zinc/00/54/85/586005485.db2.gz CVTLVUSLRDVZCB-NSHDSACASA-N 1 2 224.279 2.622 20 0 BFADLO C[N@H+](CCF)[C@@]1(c2ccccc2)CCCCC1=O ZINC000792880739 586006333 /nfs/dbraw/zinc/00/63/33/586006333.db2.gz UHDWOPUCQSNYSO-OAHLLOKOSA-N 1 2 249.329 2.926 20 0 BFADLO C[N@@H+](CCF)[C@@]1(c2ccccc2)CCCCC1=O ZINC000792880739 586006334 /nfs/dbraw/zinc/00/63/34/586006334.db2.gz UHDWOPUCQSNYSO-OAHLLOKOSA-N 1 2 249.329 2.926 20 0 BFADLO CCc1nc(C[NH+]2CCC(F)(F)CC2)cs1 ZINC000793351236 586017225 /nfs/dbraw/zinc/01/72/25/586017225.db2.gz DKSSETJYMXKRNW-UHFFFAOYSA-N 1 2 246.326 2.937 20 0 BFADLO CC1=C(C)C[N@H+](Cn2ncsc2=S)CC1 ZINC000794890086 586053649 /nfs/dbraw/zinc/05/36/49/586053649.db2.gz NGVMFXOBAAJQCV-UHFFFAOYSA-N 1 2 241.385 2.674 20 0 BFADLO CC1=C(C)C[N@@H+](Cn2ncsc2=S)CC1 ZINC000794890086 586053650 /nfs/dbraw/zinc/05/36/50/586053650.db2.gz NGVMFXOBAAJQCV-UHFFFAOYSA-N 1 2 241.385 2.674 20 0 BFADLO Fc1ncccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000795225613 586072959 /nfs/dbraw/zinc/07/29/59/586072959.db2.gz MRXFZMFXYUNZKP-UHFFFAOYSA-N 1 2 244.273 2.500 20 0 BFADLO CC(C)c1nc(N2CCC(F)(F)CC2)cc[nH+]1 ZINC000795271177 586074072 /nfs/dbraw/zinc/07/40/72/586074072.db2.gz KJYOXYLRLKZKGK-UHFFFAOYSA-N 1 2 241.285 2.836 20 0 BFADLO CC(C)(C)C[NH2+]c1ccc(OCCCO)cc1 ZINC000796522004 586105706 /nfs/dbraw/zinc/10/57/06/586105706.db2.gz VYPDZODAHMBOBY-UHFFFAOYSA-N 1 2 237.343 2.906 20 0 BFADLO C/C=C\C(=O)N1CCCC[C@@H]1c1[nH+]ccn1CC ZINC000797775620 586131095 /nfs/dbraw/zinc/13/10/95/586131095.db2.gz GZZBYGASDYPETB-AUXFESMGSA-N 1 2 247.342 2.533 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798262070 586141919 /nfs/dbraw/zinc/14/19/19/586141919.db2.gz IMQBCYGOOKITKV-ONNFQVAWSA-N 1 2 229.283 2.629 20 0 BFADLO CC/C=C(/C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000798262073 586142051 /nfs/dbraw/zinc/14/20/51/586142051.db2.gz IMQBCYGOOKITKV-WMZJFQQLSA-N 1 2 229.283 2.629 20 0 BFADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCC1(C)C ZINC000799491203 586180731 /nfs/dbraw/zinc/18/07/31/586180731.db2.gz FMENTYWCBNDLER-RYUDHWBXSA-N 1 2 239.359 2.593 20 0 BFADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCC1(C)C ZINC000799491203 586180733 /nfs/dbraw/zinc/18/07/33/586180733.db2.gz FMENTYWCBNDLER-RYUDHWBXSA-N 1 2 239.359 2.593 20 0 BFADLO FC(F)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000800533864 586225315 /nfs/dbraw/zinc/22/53/15/586225315.db2.gz TXNPPZWEPGLKPW-QWRGUYRKSA-N 1 2 231.286 2.799 20 0 BFADLO FC(F)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000800533864 586225316 /nfs/dbraw/zinc/22/53/16/586225316.db2.gz TXNPPZWEPGLKPW-QWRGUYRKSA-N 1 2 231.286 2.799 20 0 BFADLO Cc1sc(/C=C/c2cn(C)c[nH+]2)cc1C=O ZINC000800794399 586229157 /nfs/dbraw/zinc/22/91/57/586229157.db2.gz FKJWTMWPMLJHIF-ONEGZZNKSA-N 1 2 232.308 2.773 20 0 BFADLO FCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000801589071 586265493 /nfs/dbraw/zinc/26/54/93/586265493.db2.gz ZDIZHSCOYCXRLI-GFCCVEGCSA-N 1 2 211.255 2.527 20 0 BFADLO FCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000801589071 586265494 /nfs/dbraw/zinc/26/54/94/586265494.db2.gz ZDIZHSCOYCXRLI-GFCCVEGCSA-N 1 2 211.255 2.527 20 0 BFADLO CC(C)CC(=O)CC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000859477550 589039857 /nfs/dbraw/zinc/03/98/57/589039857.db2.gz DTAWPUGORDNQSB-UHFFFAOYSA-N 1 2 247.338 2.713 20 0 BFADLO CC(C)CC(=O)CC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859477550 589039859 /nfs/dbraw/zinc/03/98/59/589039859.db2.gz DTAWPUGORDNQSB-UHFFFAOYSA-N 1 2 247.338 2.713 20 0 BFADLO CC(C)(C)SCC[N@@H+]1CCC(F)(F)C1 ZINC000801938922 586280527 /nfs/dbraw/zinc/28/05/27/586280527.db2.gz KLVVLVURMDSRGN-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CC(C)(C)SCC[N@H+]1CCC(F)(F)C1 ZINC000801938922 586280528 /nfs/dbraw/zinc/28/05/28/586280528.db2.gz KLVVLVURMDSRGN-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO COc1ccc(NCc2ccc(Cl)cn2)[nH+]c1 ZINC000804595060 586401948 /nfs/dbraw/zinc/40/19/48/586401948.db2.gz GOVKQGLZZQSHAG-UHFFFAOYSA-N 1 2 249.701 2.751 20 0 BFADLO OCCOc1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000806157420 586406082 /nfs/dbraw/zinc/40/60/82/586406082.db2.gz RIQMEENCYWHLAU-LSDHHAIUSA-N 1 2 247.338 2.658 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2[C@H](C=C(C)C)C2(C)C)n1 ZINC000843145322 586445234 /nfs/dbraw/zinc/44/52/34/586445234.db2.gz JBFNHLZPAFDAHE-CMPLNLGQSA-N 1 2 249.358 2.885 20 0 BFADLO CC(C)=CCO[NH+]=C(N)Cc1ccccc1 ZINC000808251712 586469066 /nfs/dbraw/zinc/46/90/66/586469066.db2.gz PMIMWWRNGBXFHL-UHFFFAOYSA-N 1 2 218.300 2.694 20 0 BFADLO CC[C@H](C)n1nc(NCc2cn(C)c[nH+]2)cc1C ZINC000808404177 586471621 /nfs/dbraw/zinc/47/16/21/586471621.db2.gz VMWMHJIKLZXGCH-JTQLQIEISA-N 1 2 247.346 2.508 20 0 BFADLO Cc1nc(F)ccc1C[NH2+][C@H]1CCCC1(F)F ZINC000808432201 586472130 /nfs/dbraw/zinc/47/21/30/586472130.db2.gz XUOILVBJNYWOQE-JTQLQIEISA-N 1 2 244.260 2.807 20 0 BFADLO CC(C)C(=O)CC[N@H+](CC(F)F)C(C)C ZINC000808735045 586485987 /nfs/dbraw/zinc/48/59/87/586485987.db2.gz LWAVUJNSFLGOSP-UHFFFAOYSA-N 1 2 221.291 2.577 20 0 BFADLO CC(C)C(=O)CC[N@@H+](CC(F)F)C(C)C ZINC000808735045 586485988 /nfs/dbraw/zinc/48/59/88/586485988.db2.gz LWAVUJNSFLGOSP-UHFFFAOYSA-N 1 2 221.291 2.577 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1ncsc1=S ZINC000840183833 586511455 /nfs/dbraw/zinc/51/14/55/586511455.db2.gz OGPXLEYPIZEHGT-MRVPVSSYSA-N 1 2 243.401 2.752 20 0 BFADLO C[C@@H]1CC(C)(C)C[N@H+]1Cn1ncsc1=S ZINC000840183833 586511457 /nfs/dbraw/zinc/51/14/57/586511457.db2.gz OGPXLEYPIZEHGT-MRVPVSSYSA-N 1 2 243.401 2.752 20 0 BFADLO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccoc2)n1 ZINC000809718994 586515003 /nfs/dbraw/zinc/51/50/03/586515003.db2.gz UAPADUJRIPBOJZ-GFCCVEGCSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccoc2)n1 ZINC000809718994 586515004 /nfs/dbraw/zinc/51/50/04/586515004.db2.gz UAPADUJRIPBOJZ-GFCCVEGCSA-N 1 2 247.298 2.698 20 0 BFADLO Cc1cc(C(F)(F)F)nn1C[N@H+]1CCC[C@H]1C ZINC000811751380 586566347 /nfs/dbraw/zinc/56/63/47/586566347.db2.gz FQPDTACVCPJXQU-MRVPVSSYSA-N 1 2 247.264 2.652 20 0 BFADLO Cc1cc(C(F)(F)F)nn1C[N@@H+]1CCC[C@H]1C ZINC000811751380 586566348 /nfs/dbraw/zinc/56/63/48/586566348.db2.gz FQPDTACVCPJXQU-MRVPVSSYSA-N 1 2 247.264 2.652 20 0 BFADLO COc1ccc([NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1CO ZINC000813868104 586608253 /nfs/dbraw/zinc/60/82/53/586608253.db2.gz RFOMUMDHFYTDPO-GIPNMCIBSA-N 1 2 235.327 2.644 20 0 BFADLO CC[C@@H]1CC[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000814178786 586615968 /nfs/dbraw/zinc/61/59/68/586615968.db2.gz CZAJDCNSCKKRNU-SSDOTTSWSA-N 1 2 248.157 2.711 20 0 BFADLO CC[C@@H]1CC[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000814178786 586615969 /nfs/dbraw/zinc/61/59/69/586615969.db2.gz CZAJDCNSCKKRNU-SSDOTTSWSA-N 1 2 248.157 2.711 20 0 BFADLO CC(C)c1cnc(COc2cc[nH+]cc2)o1 ZINC000814266101 586621053 /nfs/dbraw/zinc/62/10/53/586621053.db2.gz WFUKCAIQZFGPFR-UHFFFAOYSA-N 1 2 218.256 2.772 20 0 BFADLO COc1ncc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1Cl ZINC000815162083 586671479 /nfs/dbraw/zinc/67/14/79/586671479.db2.gz BGHKNNWMRUOXQA-RKDXNWHRSA-N 1 2 240.734 2.584 20 0 BFADLO COc1ncc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1Cl ZINC000815162083 586671481 /nfs/dbraw/zinc/67/14/81/586671481.db2.gz BGHKNNWMRUOXQA-RKDXNWHRSA-N 1 2 240.734 2.584 20 0 BFADLO COc1ncc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1Cl ZINC000815162080 586671518 /nfs/dbraw/zinc/67/15/18/586671518.db2.gz BGHKNNWMRUOXQA-DTWKUNHWSA-N 1 2 240.734 2.584 20 0 BFADLO COc1ncc(C[N@H+]2C[C@H](C)[C@H]2C)cc1Cl ZINC000815162080 586671520 /nfs/dbraw/zinc/67/15/20/586671520.db2.gz BGHKNNWMRUOXQA-DTWKUNHWSA-N 1 2 240.734 2.584 20 0 BFADLO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccn[nH]1 ZINC000815577481 586688148 /nfs/dbraw/zinc/68/81/48/586688148.db2.gz RNERZNUJYRPWSV-JTQLQIEISA-N 1 2 233.290 2.708 20 0 BFADLO C[C@@H]1C[N@H+](Cc2c(Cl)nc(Cl)n2C)[C@@H]1C ZINC000816646488 586749590 /nfs/dbraw/zinc/74/95/90/586749590.db2.gz DVQKYLFPDMCRSM-RNFRBKRXSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2c(Cl)nc(Cl)n2C)[C@@H]1C ZINC000816646488 586749592 /nfs/dbraw/zinc/74/95/92/586749592.db2.gz DVQKYLFPDMCRSM-RNFRBKRXSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000816648390 586750412 /nfs/dbraw/zinc/75/04/12/586750412.db2.gz JXFCYFYBFKPURS-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(F)c(F)cc1F ZINC000816648390 586750415 /nfs/dbraw/zinc/75/04/15/586750415.db2.gz JXFCYFYBFKPURS-JGVFFNPUSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1C ZINC000816648206 586750617 /nfs/dbraw/zinc/75/06/17/586750617.db2.gz GRWADQQZXXZJMV-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)[C@@H]1C ZINC000816648206 586750620 /nfs/dbraw/zinc/75/06/20/586750620.db2.gz GRWADQQZXXZJMV-HTQZYQBOSA-N 1 2 229.245 2.944 20 0 BFADLO Cc1cccc([C@H]([NH2+][C@@H]2CCOC2=O)C(C)C)c1 ZINC000859850545 589066963 /nfs/dbraw/zinc/06/69/63/589066963.db2.gz PNHYAPXVAYZLEF-ZIAGYGMSSA-N 1 2 247.338 2.597 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccns2)o1 ZINC000860058600 589077822 /nfs/dbraw/zinc/07/78/22/589077822.db2.gz NLWCCDTXPDYZAC-IUCAKERBSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1cc(C)c(CNC(=O)C(F)=C2CCC2)c[nH+]1 ZINC000819559421 586977855 /nfs/dbraw/zinc/97/78/55/586977855.db2.gz KEXJMRXRUWTXKE-UHFFFAOYSA-N 1 2 248.301 2.722 20 0 BFADLO CCC[C@@](C)(CC)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778424 586993104 /nfs/dbraw/zinc/99/31/04/586993104.db2.gz PKMRGBCCCKSALP-BXKDBHETSA-N 1 2 242.388 2.810 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778583 586993196 /nfs/dbraw/zinc/99/31/96/586993196.db2.gz ZQZTWTDDESCPHE-RKDXNWHRSA-N 1 2 242.388 2.666 20 0 BFADLO C[C@@H](CC(C)(C)C)C(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819783216 586994987 /nfs/dbraw/zinc/99/49/87/586994987.db2.gz RKWSCVPPQQNNCH-IUCAKERBSA-N 1 2 242.388 2.666 20 0 BFADLO Cc1ncoc1CNc1cc[nH+]c(C(C)C)n1 ZINC000820591257 587057447 /nfs/dbraw/zinc/05/74/47/587057447.db2.gz GMFODDYNDZZILH-UHFFFAOYSA-N 1 2 232.287 2.509 20 0 BFADLO C[C@@H]1CCCC[C@H]1C(=O)OCc1cc[nH+]c(N)c1 ZINC000820930566 587082068 /nfs/dbraw/zinc/08/20/68/587082068.db2.gz BNHZXBPKITWPJU-ZYHUDNBSSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000821134612 587097518 /nfs/dbraw/zinc/09/75/18/587097518.db2.gz GYUHHVUPXDAXKN-LBPRGKRZSA-N 1 2 234.343 2.885 20 0 BFADLO C/C=C/C[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000860184589 589087958 /nfs/dbraw/zinc/08/79/58/589087958.db2.gz HIGJZNBEEOSVIW-VUDBWIFFSA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000860184589 589087960 /nfs/dbraw/zinc/08/79/60/589087960.db2.gz HIGJZNBEEOSVIW-VUDBWIFFSA-N 1 2 237.372 2.716 20 0 BFADLO CCC[C@@H](CC)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000821515422 587124053 /nfs/dbraw/zinc/12/40/53/587124053.db2.gz GRZCDAPAUQBPLJ-NEPJUHHUSA-N 1 2 249.358 2.900 20 0 BFADLO C/C=C\C[C@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000860184588 589087546 /nfs/dbraw/zinc/08/75/46/589087546.db2.gz HIGJZNBEEOSVIW-QUCGXOGASA-N 1 2 237.372 2.716 20 0 BFADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000860184588 589087548 /nfs/dbraw/zinc/08/75/48/589087548.db2.gz HIGJZNBEEOSVIW-QUCGXOGASA-N 1 2 237.372 2.716 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)CC1CC1 ZINC000822319475 587162202 /nfs/dbraw/zinc/16/22/02/587162202.db2.gz FOKSRWZXJVRZGS-UHFFFAOYSA-N 1 2 236.315 2.551 20 0 BFADLO CC(C)=CC(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822326100 587162730 /nfs/dbraw/zinc/16/27/30/587162730.db2.gz PODIHOPIEASVAY-UHFFFAOYSA-N 1 2 236.315 2.717 20 0 BFADLO CC(C)(C)c1[nH+]c[nH]c1COC(=O)C1CCC1 ZINC000822325553 587162860 /nfs/dbraw/zinc/16/28/60/587162860.db2.gz GBVRXLINFUWMSP-UHFFFAOYSA-N 1 2 236.315 2.551 20 0 BFADLO Fc1c(C[NH+]2CCCCC2)ccnc1Cl ZINC000823489824 587226096 /nfs/dbraw/zinc/22/60/96/587226096.db2.gz NSAPWPIIUUEJLZ-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO C/C=C(/C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836124 587241509 /nfs/dbraw/zinc/24/15/09/587241509.db2.gz DCLOPIUFILKQMQ-YVMONPNESA-N 1 2 204.273 2.603 20 0 BFADLO Cc1ccc(F)c(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000824526830 587273855 /nfs/dbraw/zinc/27/38/55/587273855.db2.gz PVAPWLGRKLXKLH-ZDUSSCGKSA-N 1 2 245.301 2.565 20 0 BFADLO Fc1c(C[N@@H+]2CC[C@@H]2C2CC2)ccnc1Cl ZINC000824654493 587281313 /nfs/dbraw/zinc/28/13/13/587281313.db2.gz OTPLKJSYHGIFPM-SNVBAGLBSA-N 1 2 240.709 2.858 20 0 BFADLO Fc1c(C[N@H+]2CC[C@@H]2C2CC2)ccnc1Cl ZINC000824654493 587281315 /nfs/dbraw/zinc/28/13/15/587281315.db2.gz OTPLKJSYHGIFPM-SNVBAGLBSA-N 1 2 240.709 2.858 20 0 BFADLO Cc1ccc(CCNc2nccs2)c[nH+]1 ZINC000013234416 589098055 /nfs/dbraw/zinc/09/80/55/589098055.db2.gz SVYAZYWSISSCGG-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO CCC[N@H+](CCC(=O)CC(C)C)CC(F)F ZINC000827851477 587405915 /nfs/dbraw/zinc/40/59/15/587405915.db2.gz REBDHEZNCZFNMW-UHFFFAOYSA-N 1 2 235.318 2.969 20 0 BFADLO CCC[N@@H+](CCC(=O)CC(C)C)CC(F)F ZINC000827851477 587405916 /nfs/dbraw/zinc/40/59/16/587405916.db2.gz REBDHEZNCZFNMW-UHFFFAOYSA-N 1 2 235.318 2.969 20 0 BFADLO FC(F)(F)C1C[NH+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000828398550 587440029 /nfs/dbraw/zinc/44/00/29/587440029.db2.gz CFDAKTWPMZVNSD-YFKPBYRVSA-N 1 2 248.075 2.674 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000830211797 587541333 /nfs/dbraw/zinc/54/13/33/587541333.db2.gz CUSNCXDMGMTPEE-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000830211797 587541334 /nfs/dbraw/zinc/54/13/34/587541334.db2.gz CUSNCXDMGMTPEE-AAEUAGOBSA-N 1 2 245.338 2.542 20 0 BFADLO CCn1cc([C@H](C)[NH2+]C/C(Cl)=C\Cl)cn1 ZINC000832313278 587653454 /nfs/dbraw/zinc/65/34/54/587653454.db2.gz GAQXIHORDFNFJJ-JVVDXDAESA-N 1 2 248.157 2.873 20 0 BFADLO CCC[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c21)C(C)C ZINC000833277674 587704258 /nfs/dbraw/zinc/70/42/58/587704258.db2.gz FVCUYAZIZLFDOY-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)(CC)C(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833284319 587704759 /nfs/dbraw/zinc/70/47/59/587704759.db2.gz HRTRZPDJEPXYIK-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CC(C)C[C@@H](C)CC(=O)N[C@H]1CCn2cc[nH+]c21 ZINC000833293417 587705213 /nfs/dbraw/zinc/70/52/13/587705213.db2.gz YHJHLQPKYOBKFZ-NEPJUHHUSA-N 1 2 249.358 2.516 20 0 BFADLO O[C@H](CCNc1cccc[nH+]1)c1ccccc1 ZINC000002039112 587731394 /nfs/dbraw/zinc/73/13/94/587731394.db2.gz HLIOOIHXCHGQGA-CYBMUJFWSA-N 1 2 228.295 2.617 20 0 BFADLO CCCCC[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834662697 587763051 /nfs/dbraw/zinc/76/30/51/587763051.db2.gz CAWQGLKSPXYMOQ-CQSZACIVSA-N 1 2 248.326 2.514 20 0 BFADLO CCC[C@H](C)[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834891184 587769696 /nfs/dbraw/zinc/76/96/96/587769696.db2.gz ABOLWCNNKZYMBI-IINYFYTJSA-N 1 2 248.326 2.512 20 0 BFADLO CC1(C)CC=C(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000835351125 587798026 /nfs/dbraw/zinc/79/80/26/587798026.db2.gz XOXKXSQZKJNNHB-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO O=C(CCc1c[nH+]c[nH]1)N1CCCCCCCC1 ZINC000836924110 587842994 /nfs/dbraw/zinc/84/29/94/587842994.db2.gz AHJDOIOECIKGCK-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO O=C(CCc1c[nH]c[nH+]1)N1CCCCCCCC1 ZINC000836924110 587842995 /nfs/dbraw/zinc/84/29/95/587842995.db2.gz AHJDOIOECIKGCK-UHFFFAOYSA-N 1 2 249.358 2.525 20 0 BFADLO CC/C(C)=C(\C)C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000836948587 587843553 /nfs/dbraw/zinc/84/35/53/587843553.db2.gz GZJYCUIJJHLNFU-HCRIHEDKSA-N 1 2 249.358 2.827 20 0 BFADLO CCC/C=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000837103974 587853943 /nfs/dbraw/zinc/85/39/43/587853943.db2.gz PBZYHKAKRWWEQF-VOTSOKGWSA-N 1 2 232.327 2.671 20 0 BFADLO C1=C(CCc2ccccc2)N2CC[NH+]=C2S1 ZINC000841492452 587956892 /nfs/dbraw/zinc/95/68/92/587956892.db2.gz UFKRQPZQTBVSFH-UHFFFAOYSA-N 1 2 230.336 2.879 20 0 BFADLO Cc1cc(N[C@H]2CO[C@H](C)C2)ccc1[NH+](C)C ZINC000842691021 588053037 /nfs/dbraw/zinc/05/30/37/588053037.db2.gz JYPDMLRHWAMQIE-DGCLKSJQSA-N 1 2 234.343 2.650 20 0 BFADLO CCCCS[C@@H](C)c1nc(C[NH2+]CC)no1 ZINC000843145295 588086818 /nfs/dbraw/zinc/08/68/18/588086818.db2.gz IRHXOBOXKMEJHV-VIFPVBQESA-N 1 2 243.376 2.773 20 0 BFADLO CC[NH2+]Cc1noc([C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000843145153 588086903 /nfs/dbraw/zinc/08/69/03/588086903.db2.gz VSDOJGZEQVWXCA-URLYPYJESA-N 1 2 237.347 2.719 20 0 BFADLO CC[NH2+]Cc1noc(C[C@H](C)c2ccccc2)n1 ZINC000843145425 588087078 /nfs/dbraw/zinc/08/70/78/588087078.db2.gz GZYCQKCRXICZNL-NSHDSACASA-N 1 2 245.326 2.525 20 0 BFADLO CC1(CC(F)F)C[NH+](Cc2ccc(F)nc2)C1 ZINC000843424853 588108228 /nfs/dbraw/zinc/10/82/28/588108228.db2.gz MZSZUWUGJDLLPA-UHFFFAOYSA-N 1 2 244.260 2.698 20 0 BFADLO C[C@@H](CC(=O)OC1CCCCC1)n1cc[nH+]c1 ZINC000844268916 588178391 /nfs/dbraw/zinc/17/83/91/588178391.db2.gz PEGJZKWULQQDCQ-NSHDSACASA-N 1 2 236.315 2.710 20 0 BFADLO FC1(F)C[C@]12CCC[N@H+](Cc1cscn1)C2 ZINC000844432665 588192251 /nfs/dbraw/zinc/19/22/51/588192251.db2.gz BFCBPJSJLMSNJP-JTQLQIEISA-N 1 2 244.310 2.764 20 0 BFADLO FC1(F)C[C@]12CCC[N@@H+](Cc1cscn1)C2 ZINC000844432665 588192252 /nfs/dbraw/zinc/19/22/52/588192252.db2.gz BFCBPJSJLMSNJP-JTQLQIEISA-N 1 2 244.310 2.764 20 0 BFADLO FC1(F)C[C@@]12CCC[N@H+](Cc1cscn1)C2 ZINC000844432666 588192495 /nfs/dbraw/zinc/19/24/95/588192495.db2.gz BFCBPJSJLMSNJP-SNVBAGLBSA-N 1 2 244.310 2.764 20 0 BFADLO FC1(F)C[C@@]12CCC[N@@H+](Cc1cscn1)C2 ZINC000844432666 588192497 /nfs/dbraw/zinc/19/24/97/588192497.db2.gz BFCBPJSJLMSNJP-SNVBAGLBSA-N 1 2 244.310 2.764 20 0 BFADLO CC[C@H]1CN(c2cc[nH+]c(C(C)C)n2)[C@H](C)CO1 ZINC000845660305 588239990 /nfs/dbraw/zinc/23/99/90/588239990.db2.gz CDRYUAHDPBXTIT-NEPJUHHUSA-N 1 2 249.358 2.604 20 0 BFADLO FCC(CF)[NH2+]Cc1cccc2c1CCC2 ZINC000845984246 588252601 /nfs/dbraw/zinc/25/26/01/588252601.db2.gz YLLRIBPODPROOM-UHFFFAOYSA-N 1 2 225.282 2.573 20 0 BFADLO CCCCCCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846246701 588262627 /nfs/dbraw/zinc/26/26/27/588262627.db2.gz QKILXJPPEVALCG-UHFFFAOYSA-N 1 2 237.347 2.731 20 0 BFADLO C/C(=C\C(=O)NC(C)(C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000846245366 588262649 /nfs/dbraw/zinc/26/26/49/588262649.db2.gz WLVHYXKDIVKJNL-MDZDMXLPSA-N 1 2 249.358 2.753 20 0 BFADLO C[C@@H]1Cc2cc([NH2+][C@H]3CCO[C@H](C)C3)ccc2O1 ZINC000846749399 588284822 /nfs/dbraw/zinc/28/48/22/588284822.db2.gz IRERTBNYIUPPKC-GYSYKLTISA-N 1 2 247.338 2.989 20 0 BFADLO C[C@H]1Cc2cc([NH2+][C@@H]3CCCOCC3)ccc2O1 ZINC000846749266 588284843 /nfs/dbraw/zinc/28/48/43/588284843.db2.gz DBAQWCQNCVEAAI-WCQYABFASA-N 1 2 247.338 2.991 20 0 BFADLO COc1cc(C)c([NH2+]CC2(C)COC2)cc1C ZINC000846749361 588284923 /nfs/dbraw/zinc/28/49/23/588284923.db2.gz YFPKHAGXINZLLI-UHFFFAOYSA-N 1 2 235.327 2.760 20 0 BFADLO Cc1cccc(C(C)(C)[NH2+]Cc2cnsn2)c1 ZINC000846845330 588293091 /nfs/dbraw/zinc/29/30/91/588293091.db2.gz IZTIZMBVUJBLFL-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO C[C@H]1CC[C@]2(CC[N@H+](Cc3cnsn3)C2)C1 ZINC000846847568 588293195 /nfs/dbraw/zinc/29/31/95/588293195.db2.gz ATHUDEICNBHMHY-JQWIXIFHSA-N 1 2 237.372 2.550 20 0 BFADLO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cnsn3)C2)C1 ZINC000846847568 588293196 /nfs/dbraw/zinc/29/31/96/588293196.db2.gz ATHUDEICNBHMHY-JQWIXIFHSA-N 1 2 237.372 2.550 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1cnsn1 ZINC000846910248 588296484 /nfs/dbraw/zinc/29/64/84/588296484.db2.gz MIEXGPAIUFSQBE-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846910248 588296485 /nfs/dbraw/zinc/29/64/85/588296485.db2.gz MIEXGPAIUFSQBE-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO C[C@H]1C[N@H+](Cc2cnc(Cl)c(F)c2)[C@H]1C ZINC000846922027 588296867 /nfs/dbraw/zinc/29/68/67/588296867.db2.gz BZAQHHMITPHLTR-YUMQZZPRSA-N 1 2 228.698 2.714 20 0 BFADLO C[C@H]1C[N@@H+](Cc2cnc(Cl)c(F)c2)[C@H]1C ZINC000846922027 588296868 /nfs/dbraw/zinc/29/68/68/588296868.db2.gz BZAQHHMITPHLTR-YUMQZZPRSA-N 1 2 228.698 2.714 20 0 BFADLO Cc1c[nH+]c2cc(C(=O)OC3CCCC3)ccn12 ZINC000848782490 588413664 /nfs/dbraw/zinc/41/36/64/588413664.db2.gz TXQHSOCBYWCEAO-UHFFFAOYSA-N 1 2 244.294 2.742 20 0 BFADLO CC[C@@H](C)COC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000848781836 588413791 /nfs/dbraw/zinc/41/37/91/588413791.db2.gz PHIQVIBTAWUMIK-SNVBAGLBSA-N 1 2 246.310 2.846 20 0 BFADLO CC1=CC[C@@](C)(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000850098490 588520039 /nfs/dbraw/zinc/52/00/39/588520039.db2.gz VBCLSIJFBFSYRM-CQSZACIVSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1ccc(COC(=O)C2CC3(CC3)C2)c(C)[nH+]1 ZINC000850214018 588529506 /nfs/dbraw/zinc/52/95/06/588529506.db2.gz GRTIQHAMEZGCFI-UHFFFAOYSA-N 1 2 245.322 2.932 20 0 BFADLO OCCOc1ccc([NH2+][C@H]2CCCC23CC3)cc1 ZINC000850459145 588548081 /nfs/dbraw/zinc/54/80/81/588548081.db2.gz YVOUVAZHDXJTSX-AWEZNQCLSA-N 1 2 247.338 2.802 20 0 BFADLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC=C(Cl)Cl ZINC000851729841 588619070 /nfs/dbraw/zinc/61/90/70/588619070.db2.gz QLULJXBTHFJWNP-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC=C(Cl)Cl ZINC000851729841 588619071 /nfs/dbraw/zinc/61/90/71/588619071.db2.gz QLULJXBTHFJWNP-DTWKUNHWSA-N 1 2 238.158 2.805 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)C[C@H]1CCCCO1 ZINC000851734253 588619735 /nfs/dbraw/zinc/61/97/35/588619735.db2.gz PLVUPKPDBJGWHU-SECBINFHSA-N 1 2 238.158 2.806 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)C[C@H]1CCCCO1 ZINC000851734253 588619736 /nfs/dbraw/zinc/61/97/36/588619736.db2.gz PLVUPKPDBJGWHU-SECBINFHSA-N 1 2 238.158 2.806 20 0 BFADLO CC(C)[N@H+](Cc1cnon1)Cc1cccc(F)c1 ZINC000851735382 588620232 /nfs/dbraw/zinc/62/02/32/588620232.db2.gz VFLVVLAVQGRTBS-UHFFFAOYSA-N 1 2 249.289 2.619 20 0 BFADLO CC(C)[N@@H+](Cc1cnon1)Cc1cccc(F)c1 ZINC000851735382 588620233 /nfs/dbraw/zinc/62/02/33/588620233.db2.gz VFLVVLAVQGRTBS-UHFFFAOYSA-N 1 2 249.289 2.619 20 0 BFADLO C[N@@H+](CC=C(Cl)Cl)CCOCC1CC1 ZINC000851808107 588631835 /nfs/dbraw/zinc/63/18/35/588631835.db2.gz LNZUGCWXKFBZGN-UHFFFAOYSA-N 1 2 238.158 2.664 20 0 BFADLO C[N@H+](CC=C(Cl)Cl)CCOCC1CC1 ZINC000851808107 588631836 /nfs/dbraw/zinc/63/18/36/588631836.db2.gz LNZUGCWXKFBZGN-UHFFFAOYSA-N 1 2 238.158 2.664 20 0 BFADLO C[C@@H]([NH2+]Cc1cnon1)c1ccc(Cl)cc1 ZINC000851819399 588633331 /nfs/dbraw/zinc/63/33/31/588633331.db2.gz CGDAMIWNOGSQID-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[N@H+](Cc1ncc[nH]1)Cc1ccc(CF)cc1 ZINC000851873920 588638065 /nfs/dbraw/zinc/63/80/65/588638065.db2.gz UJOHFFHZWWIZIN-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO C[N@@H+](Cc1ncc[nH]1)Cc1ccc(CF)cc1 ZINC000851873920 588638066 /nfs/dbraw/zinc/63/80/66/588638066.db2.gz UJOHFFHZWWIZIN-UHFFFAOYSA-N 1 2 233.290 2.511 20 0 BFADLO CCc1ccc(C(C)(C)[NH2+]Cc2cnon2)cc1 ZINC000851902178 588641911 /nfs/dbraw/zinc/64/19/11/588641911.db2.gz IDWGROSDQDLERS-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO FC(F)OCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000852049000 588657303 /nfs/dbraw/zinc/65/73/03/588657303.db2.gz DHMCBBFZHCSTOP-UHFFFAOYSA-N 1 2 247.672 2.895 20 0 BFADLO FC(F)OCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000852049000 588657304 /nfs/dbraw/zinc/65/73/04/588657304.db2.gz DHMCBBFZHCSTOP-UHFFFAOYSA-N 1 2 247.672 2.895 20 0 BFADLO COC(=O)C[N@H+](C/C=C\Cl)C1CCCCC1 ZINC000852414200 588681747 /nfs/dbraw/zinc/68/17/47/588681747.db2.gz LKDZMAYKKAQURG-YVMONPNESA-N 1 2 245.750 2.547 20 0 BFADLO COC(=O)C[N@@H+](C/C=C\Cl)C1CCCCC1 ZINC000852414200 588681748 /nfs/dbraw/zinc/68/17/48/588681748.db2.gz LKDZMAYKKAQURG-YVMONPNESA-N 1 2 245.750 2.547 20 0 BFADLO C[N@H+](C[C@H]1CC1(C)C)CC(F)(F)C(F)F ZINC000852773323 588701404 /nfs/dbraw/zinc/70/14/04/588701404.db2.gz XWPGJFLMOBESFP-SSDOTTSWSA-N 1 2 227.245 2.865 20 0 BFADLO C[N@@H+](C[C@H]1CC1(C)C)CC(F)(F)C(F)F ZINC000852773323 588701405 /nfs/dbraw/zinc/70/14/05/588701405.db2.gz XWPGJFLMOBESFP-SSDOTTSWSA-N 1 2 227.245 2.865 20 0 BFADLO Cc1c(C[N@@H+]2CCC[C@@](C)(F)C2)ccnc1F ZINC000862382657 589206899 /nfs/dbraw/zinc/20/68/99/589206899.db2.gz XYKFIUGOGXSGJY-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1c(C[N@H+]2CCC[C@@](C)(F)C2)ccnc1F ZINC000862382657 589206900 /nfs/dbraw/zinc/20/69/00/589206900.db2.gz XYKFIUGOGXSGJY-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Fc1cc(C[NH+]2CC(CC(F)(F)F)C2)ccn1 ZINC000862390642 589207746 /nfs/dbraw/zinc/20/77/46/589207746.db2.gz ZRYWMVRQLVQQJQ-UHFFFAOYSA-N 1 2 248.223 2.605 20 0 BFADLO CC[C@H]1CC[N@H+](Cn2nc(C)sc2=S)C1 ZINC000119458187 589288059 /nfs/dbraw/zinc/28/80/59/589288059.db2.gz JNIMIDVVUWKDDS-VIFPVBQESA-N 1 2 243.401 2.672 20 0 BFADLO CC[C@H]1CC[N@@H+](Cn2nc(C)sc2=S)C1 ZINC000119458187 589288060 /nfs/dbraw/zinc/28/80/60/589288060.db2.gz JNIMIDVVUWKDDS-VIFPVBQESA-N 1 2 243.401 2.672 20 0 BFADLO Cc1[nH+]cc(-c2ccc3c(c2)C[C@H](C)O3)cc1N ZINC000863678796 589310548 /nfs/dbraw/zinc/31/05/48/589310548.db2.gz CNJXKHHIDFHFOT-VIFPVBQESA-N 1 2 240.306 2.963 20 0 BFADLO COCCN(C)c1ccc(-c2coc(C)c2)c[nH+]1 ZINC000863723291 589312963 /nfs/dbraw/zinc/31/29/63/589312963.db2.gz WNTDXCMRDDGDMH-UHFFFAOYSA-N 1 2 246.310 2.733 20 0 BFADLO C[C@H](O)c1cccc(NCC2CC(C)C2)[nH+]1 ZINC000864093907 589344206 /nfs/dbraw/zinc/34/42/06/589344206.db2.gz YENXLQUHIFDWFO-YVNMAJEFSA-N 1 2 220.316 2.593 20 0 BFADLO C[C@H](O)c1cccc(NCC[C@H]2CC2(F)F)[nH+]1 ZINC000864093821 589344549 /nfs/dbraw/zinc/34/45/49/589344549.db2.gz VKNBEESEWSARPT-IUCAKERBSA-N 1 2 242.269 2.592 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000865069698 589407483 /nfs/dbraw/zinc/40/74/83/589407483.db2.gz LPOGMPKWVUJZMQ-HZMBPMFUSA-N 1 2 246.310 2.609 20 0 BFADLO CSCCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865375861 589428255 /nfs/dbraw/zinc/42/82/55/589428255.db2.gz NZUHALCCCWBTRB-UHFFFAOYSA-N 1 2 212.362 2.934 20 0 BFADLO Cc1cccc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376012 589428275 /nfs/dbraw/zinc/42/82/75/589428275.db2.gz VFVKSRGQIBCTEX-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO CC(C)(C)c1cn(CC[C@@H]2CCCO2)c[nH+]1 ZINC000865376529 589428784 /nfs/dbraw/zinc/42/87/84/589428784.db2.gz RMTNPODHCGQKCB-NSHDSACASA-N 1 2 222.332 2.750 20 0 BFADLO CC[C@@H](Cn1c[nH+]c(C(C)(C)C)c1)OC ZINC000865376634 589428935 /nfs/dbraw/zinc/42/89/35/589428935.db2.gz XABAYQIDEAZMNO-JTQLQIEISA-N 1 2 210.321 2.606 20 0 BFADLO C[C@H](O)c1ccc(NC[C@@H]2CC=CCC2)[nH+]c1 ZINC000865470507 589438528 /nfs/dbraw/zinc/43/85/28/589438528.db2.gz CMODPBGAWMJPFP-NWDGAFQWSA-N 1 2 232.327 2.903 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NCC[C@H](C)O ZINC000865539377 589444873 /nfs/dbraw/zinc/44/48/73/589444873.db2.gz QRCUYIWLHZXDBZ-QMMMGPOBSA-N 1 2 248.248 2.592 20 0 BFADLO Cc1ccc(C[NH2+]C(CF)CF)c(F)c1 ZINC000865582505 589448786 /nfs/dbraw/zinc/44/87/86/589448786.db2.gz DDVHFFUZURSMFG-UHFFFAOYSA-N 1 2 217.234 2.531 20 0 BFADLO CC(C)Cc1cc(NC[C@@]2(C)CCCO2)nc[nH+]1 ZINC000865604920 589450304 /nfs/dbraw/zinc/45/03/04/589450304.db2.gz ZDCFVYQSERBMDN-CQSZACIVSA-N 1 2 249.358 2.656 20 0 BFADLO C[C@H](O)c1ccc(N2[C@H](C)CC[C@@H]2C)[nH+]c1 ZINC000865609965 589451184 /nfs/dbraw/zinc/45/11/84/589451184.db2.gz XLMDMJHTDGHJOE-AXFHLTTASA-N 1 2 220.316 2.512 20 0 BFADLO CS[C@@H](C)CNc1cc(CC(C)C)[nH+]cn1 ZINC000865635512 589451188 /nfs/dbraw/zinc/45/11/88/589451188.db2.gz QXMPXRFZNLCEKV-JTQLQIEISA-N 1 2 239.388 2.839 20 0 BFADLO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccns1 ZINC000865645034 589454318 /nfs/dbraw/zinc/45/43/18/589454318.db2.gz NKLPMGBZKAWVBR-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(OC)cc1F ZINC000865662007 589454821 /nfs/dbraw/zinc/45/48/21/589454821.db2.gz KAOVFFCIDZURNZ-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1n[nH]c2ccccc21 ZINC000865698737 589457168 /nfs/dbraw/zinc/45/71/68/589457168.db2.gz GSMKTCAOSAHPPX-YPMHNXCESA-N 1 2 247.317 2.933 20 0 BFADLO FC(F)(F)c1c[nH+]ccc1N1CCCCO1 ZINC000865714910 589457996 /nfs/dbraw/zinc/45/79/96/589457996.db2.gz YLGXFPWQVIFCMI-UHFFFAOYSA-N 1 2 232.205 2.632 20 0 BFADLO CC(C)Cc1cc(NC2CC(F)(F)C2)nc[nH+]1 ZINC000865726827 589458928 /nfs/dbraw/zinc/45/89/28/589458928.db2.gz KHGMXOLVIVHUQH-UHFFFAOYSA-N 1 2 241.285 2.885 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000865859987 589465532 /nfs/dbraw/zinc/46/55/32/589465532.db2.gz FOXQPFPYZSXQCA-VXGBXAGGSA-N 1 2 246.354 2.687 20 0 BFADLO C[C@@H](O)c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000865871294 589466125 /nfs/dbraw/zinc/46/61/25/589466125.db2.gz GVCWEYJMCSQJFT-AAXDQBDMSA-N 1 2 232.327 2.735 20 0 BFADLO CC(C)c1nc(NCC(C)(C)F)cc[nH+]1 ZINC000865986626 589471559 /nfs/dbraw/zinc/47/15/59/589471559.db2.gz GLEOZAHJNJLRFO-UHFFFAOYSA-N 1 2 211.284 2.760 20 0 BFADLO c1ccc(NC[C@H]2CCC23CCOCC3)[nH+]c1 ZINC000866173806 589478965 /nfs/dbraw/zinc/47/89/65/589478965.db2.gz CMBNFFZBNLOKGX-GFCCVEGCSA-N 1 2 232.327 2.700 20 0 BFADLO CC[C@H](C[C@@H](C)O)Nc1cc[nH+]c(C(C)C)n1 ZINC000866298608 589484571 /nfs/dbraw/zinc/48/45/71/589484571.db2.gz BDPGRKFDXGENHL-GHMZBOCLSA-N 1 2 237.347 2.561 20 0 BFADLO F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000866451667 589494444 /nfs/dbraw/zinc/49/44/44/589494444.db2.gz OFPXTCGEOUQWLB-WZRBSPASSA-N 1 2 237.322 2.657 20 0 BFADLO C[C@H](Nc1ccc(N(C)C)c(F)c1)c1[nH]cc[nH+]1 ZINC000866625558 589505711 /nfs/dbraw/zinc/50/57/11/589505711.db2.gz LBNSZEGAEJTFKB-VIFPVBQESA-N 1 2 248.305 2.788 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc(N(C)C)c(F)c1 ZINC000866624317 589505862 /nfs/dbraw/zinc/50/58/62/589505862.db2.gz HFYYMAOWWNYDDF-JTQLQIEISA-N 1 2 240.322 2.729 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C)nc1 ZINC000122256876 589573474 /nfs/dbraw/zinc/57/34/74/589573474.db2.gz XATAFVMGBVGRGN-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C)nc1 ZINC000122256876 589573476 /nfs/dbraw/zinc/57/34/76/589573476.db2.gz XATAFVMGBVGRGN-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1ccc(NC(=O)N2CCCCC2)c(C)[nH+]1 ZINC000122854403 589639800 /nfs/dbraw/zinc/63/98/00/589639800.db2.gz ZFKRGQGTXYSXLC-UHFFFAOYSA-N 1 2 233.315 2.716 20 0 BFADLO Cc1ccccc1CO[NH+]=C(N)COC1CCC1 ZINC000871775472 589814235 /nfs/dbraw/zinc/81/42/35/589814235.db2.gz KVUIVJJUSBCYKO-UHFFFAOYSA-N 1 2 248.326 2.563 20 0 BFADLO CCC[C@@H](CC)c1nc(Cc2c[nH+]cn2C)no1 ZINC000871839784 589823330 /nfs/dbraw/zinc/82/33/30/589823330.db2.gz SQJKTBWEUZVGBT-SNVBAGLBSA-N 1 2 248.330 2.688 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000124373671 589982623 /nfs/dbraw/zinc/98/26/23/589982623.db2.gz OWOYATUMRVNVMZ-ZETCQYMHSA-N 1 2 248.157 2.711 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000124373671 589982625 /nfs/dbraw/zinc/98/26/25/589982625.db2.gz OWOYATUMRVNVMZ-ZETCQYMHSA-N 1 2 248.157 2.711 20 0 BFADLO C[C@H](CC(=O)O[C@H](C)[C@@H]1CC12CC2)n1cc[nH+]c1 ZINC000873625376 590063207 /nfs/dbraw/zinc/06/32/07/590063207.db2.gz YSDYFDYBXBDUSJ-UTUOFQBUSA-N 1 2 248.326 2.566 20 0 BFADLO CC(C)[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143824 590077907 /nfs/dbraw/zinc/07/79/07/590077907.db2.gz CNYKDMMWBAVWNC-CYBMUJFWSA-N 1 2 248.370 2.980 20 0 BFADLO CCCCN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000124898648 590097765 /nfs/dbraw/zinc/09/77/65/590097765.db2.gz ZAFFOWXKXCWKNF-NSHDSACASA-N 1 2 222.332 2.761 20 0 BFADLO CC(C)[C@H](C)N(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124917101 590099235 /nfs/dbraw/zinc/09/92/35/590099235.db2.gz CRGXUWHBFHXLOU-QWRGUYRKSA-N 1 2 222.332 2.616 20 0 BFADLO C[C@@H](Nc1nc(Cl)cs1)c1[nH]cc[nH+]1 ZINC000125257199 590159322 /nfs/dbraw/zinc/15/93/22/590159322.db2.gz HNYPMFXNBDFVJL-RXMQYKEDSA-N 1 2 228.708 2.693 20 0 BFADLO CC[N@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000876575870 590217772 /nfs/dbraw/zinc/21/77/72/590217772.db2.gz XESGULHXWOJWTN-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO CC[N@@H+](Cc1nc(Cl)cs1)C1CC1 ZINC000876575870 590217773 /nfs/dbraw/zinc/21/77/73/590217773.db2.gz XESGULHXWOJWTN-UHFFFAOYSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876722983 590233282 /nfs/dbraw/zinc/23/32/82/590233282.db2.gz KAXSPIIVZKHXOW-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876722983 590233283 /nfs/dbraw/zinc/23/32/83/590233283.db2.gz KAXSPIIVZKHXOW-SSDOTTSWSA-N 1 2 216.737 2.781 20 0 BFADLO CC1=CC[N@H+](Cc2nc(Cl)cs2)CC1 ZINC000876748780 590237026 /nfs/dbraw/zinc/23/70/26/590237026.db2.gz FPHNFKGBJLMNDP-UHFFFAOYSA-N 1 2 228.748 2.949 20 0 BFADLO c1cc2c(cc1[NH2+]CCC[C@@H]1CCO1)CCCO2 ZINC000877160539 590294055 /nfs/dbraw/zinc/29/40/55/590294055.db2.gz MADJATUQSFEINJ-CQSZACIVSA-N 1 2 247.338 2.993 20 0 BFADLO CC(C)C1C[NH+](Cc2cnc(Cl)c(F)c2)C1 ZINC000877486770 590338510 /nfs/dbraw/zinc/33/85/10/590338510.db2.gz NCRTZJXVGPFGJL-UHFFFAOYSA-N 1 2 242.725 2.962 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(Cl)cs1 ZINC000877488150 590338838 /nfs/dbraw/zinc/33/88/38/590338838.db2.gz YPOWZOSFEGHVLD-BQBZGAKWSA-N 1 2 216.737 2.779 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)sn1 ZINC000877558080 590358348 /nfs/dbraw/zinc/35/83/48/590358348.db2.gz VSCCSEDPRDJKLO-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@@](C)(F)C2)sn1 ZINC000877558080 590358350 /nfs/dbraw/zinc/35/83/50/590358350.db2.gz VSCCSEDPRDJKLO-LLVKDONJSA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)sn1 ZINC000877558081 590358774 /nfs/dbraw/zinc/35/87/74/590358774.db2.gz VSCCSEDPRDJKLO-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@](C)(F)C2)sn1 ZINC000877558081 590358777 /nfs/dbraw/zinc/35/87/77/590358777.db2.gz VSCCSEDPRDJKLO-NSHDSACASA-N 1 2 228.336 2.776 20 0 BFADLO C[C@H](O)C[N@H+](CC(F)F)CC1(C)CCCC1 ZINC000877572318 590361797 /nfs/dbraw/zinc/36/17/97/590361797.db2.gz PGDVRONQQMQTHL-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO C[C@H](O)C[N@@H+](CC(F)F)CC1(C)CCCC1 ZINC000877572318 590361799 /nfs/dbraw/zinc/36/17/99/590361799.db2.gz PGDVRONQQMQTHL-JTQLQIEISA-N 1 2 235.318 2.515 20 0 BFADLO Cc1conc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000877906507 590444417 /nfs/dbraw/zinc/44/44/17/590444417.db2.gz QTHMRXLAVFPLLU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1conc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000877906507 590444419 /nfs/dbraw/zinc/44/44/19/590444419.db2.gz QTHMRXLAVFPLLU-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(Cl)nc1 ZINC000126878459 590479239 /nfs/dbraw/zinc/47/92/39/590479239.db2.gz QLWAGSHFXQUCAB-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO Cc1conc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000878057152 590484309 /nfs/dbraw/zinc/48/43/09/590484309.db2.gz YFYOOEFQUKDGBH-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1conc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000878057152 590484311 /nfs/dbraw/zinc/48/43/11/590484311.db2.gz YFYOOEFQUKDGBH-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO FC1(F)CCC[C@@H]1CCn1cc[nH+]c1 ZINC000878208153 590524300 /nfs/dbraw/zinc/52/43/00/590524300.db2.gz QRPRWPJGWATMMV-SECBINFHSA-N 1 2 200.232 2.709 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000878313733 590540549 /nfs/dbraw/zinc/54/05/49/590540549.db2.gz KIMNOUJQMAVSEM-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1conc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000878313733 590540550 /nfs/dbraw/zinc/54/05/50/590540550.db2.gz KIMNOUJQMAVSEM-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nocc1C ZINC000878317825 590543586 /nfs/dbraw/zinc/54/35/86/590543586.db2.gz SJXPLBPCUIGCAZ-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nocc1C ZINC000878317825 590543588 /nfs/dbraw/zinc/54/35/88/590543588.db2.gz SJXPLBPCUIGCAZ-CQSZACIVSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H](C)CC(C)(C)C)no1 ZINC000878381312 590556425 /nfs/dbraw/zinc/55/64/25/590556425.db2.gz MHWPXOJSVNTMOL-JTQLQIEISA-N 1 2 239.363 2.882 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H](C)CC(C)(C)C)no1 ZINC000878381312 590556427 /nfs/dbraw/zinc/55/64/27/590556427.db2.gz MHWPXOJSVNTMOL-JTQLQIEISA-N 1 2 239.363 2.882 20 0 BFADLO Cc1ccc(C[N@H+]2CC=CCC2)nc1Cl ZINC000878384136 590557711 /nfs/dbraw/zinc/55/77/11/590557711.db2.gz HYNVQQGEGAGFJB-UHFFFAOYSA-N 1 2 222.719 2.805 20 0 BFADLO Cc1ccc(C[N@@H+]2CC=CCC2)nc1Cl ZINC000878384136 590557712 /nfs/dbraw/zinc/55/77/12/590557712.db2.gz HYNVQQGEGAGFJB-UHFFFAOYSA-N 1 2 222.719 2.805 20 0 BFADLO CC[C@@H]([NH2+]Cc1nocc1C)c1c(C)noc1C ZINC000878412899 590562899 /nfs/dbraw/zinc/56/28/99/590562899.db2.gz BDWAPNYQHAVTBH-LLVKDONJSA-N 1 2 249.314 2.829 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc2c(o1)CCCC2 ZINC000878533959 590588111 /nfs/dbraw/zinc/58/81/11/590588111.db2.gz UQSSXHOUAWWKSX-AOOOYVTPSA-N 1 2 220.316 2.536 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc2c(o1)CCCC2 ZINC000878533959 590588112 /nfs/dbraw/zinc/58/81/12/590588112.db2.gz UQSSXHOUAWWKSX-AOOOYVTPSA-N 1 2 220.316 2.536 20 0 BFADLO COCC(C)(C)[N@H+](C)Cc1scnc1Cl ZINC000878644157 590600643 /nfs/dbraw/zinc/60/06/43/590600643.db2.gz TYAKHWZKMOECCD-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO COCC(C)(C)[N@@H+](C)Cc1scnc1Cl ZINC000878644157 590600645 /nfs/dbraw/zinc/60/06/45/590600645.db2.gz TYAKHWZKMOECCD-UHFFFAOYSA-N 1 2 248.779 2.653 20 0 BFADLO CC[N@@H+](Cc1nocc1C)Cc1occc1C ZINC000878710423 590613394 /nfs/dbraw/zinc/61/33/94/590613394.db2.gz CZTBIIHVPXRDBZ-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[N@H+](Cc1nocc1C)Cc1occc1C ZINC000878710423 590613395 /nfs/dbraw/zinc/61/33/95/590613395.db2.gz CZTBIIHVPXRDBZ-UHFFFAOYSA-N 1 2 234.299 2.907 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)Nc1cc[nH+]cc1C ZINC000878769878 590620294 /nfs/dbraw/zinc/62/02/94/590620294.db2.gz SOIWSFSHSACAQL-DOMZBBRYSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC=C(Cl)C2)cn1 ZINC000878790529 590622301 /nfs/dbraw/zinc/62/23/01/590622301.db2.gz OBJRTPBXGGDZSV-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ccc(C[N@H+]2CCC=C(Cl)C2)cn1 ZINC000878790529 590622302 /nfs/dbraw/zinc/62/23/02/590622302.db2.gz OBJRTPBXGGDZSV-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ccnc(C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000878791088 590622930 /nfs/dbraw/zinc/62/29/30/590622930.db2.gz DHFLUAJIAMVBCK-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO Cc1ccnc(C[N@H+]2CCC=C(Cl)C2)c1 ZINC000878791088 590622932 /nfs/dbraw/zinc/62/29/32/590622932.db2.gz DHFLUAJIAMVBCK-UHFFFAOYSA-N 1 2 222.719 2.718 20 0 BFADLO C[C@H](c1ccccn1)[N@@H+]1CCC=C(Cl)C1 ZINC000878792183 590623814 /nfs/dbraw/zinc/62/38/14/590623814.db2.gz YEEDBAHBYQUCKQ-SNVBAGLBSA-N 1 2 222.719 2.971 20 0 BFADLO C[C@H](c1ccccn1)[N@H+]1CCC=C(Cl)C1 ZINC000878792183 590623815 /nfs/dbraw/zinc/62/38/15/590623815.db2.gz YEEDBAHBYQUCKQ-SNVBAGLBSA-N 1 2 222.719 2.971 20 0 BFADLO FC1(F)CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878804637 590625327 /nfs/dbraw/zinc/62/53/27/590625327.db2.gz TZBHPKVLXRNQHY-NSHDSACASA-N 1 2 245.313 2.819 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878804637 590625328 /nfs/dbraw/zinc/62/53/28/590625328.db2.gz TZBHPKVLXRNQHY-NSHDSACASA-N 1 2 245.313 2.819 20 0 BFADLO C/C=C/CSCc1cc[nH+]c(N(C)C)c1 ZINC000127494254 590693024 /nfs/dbraw/zinc/69/30/24/590693024.db2.gz XQNDDGLTGASMGU-SNAWJCMRSA-N 1 2 222.357 2.957 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1C=CCC1 ZINC000879526241 590789599 /nfs/dbraw/zinc/78/95/99/590789599.db2.gz LAFFXNJIZINLEI-LBPRGKRZSA-N 1 2 245.326 2.786 20 0 BFADLO Cc1nccnc1[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000880108219 590927488 /nfs/dbraw/zinc/92/74/88/590927488.db2.gz QOONIMBGXNNJIT-CBVZUMJXSA-N 1 2 246.141 2.755 20 0 BFADLO FC1CC[NH+](Cc2scnc2Cl)CC1 ZINC000880238596 590971688 /nfs/dbraw/zinc/97/16/88/590971688.db2.gz IGANLFHNYJKJAT-UHFFFAOYSA-N 1 2 234.727 2.730 20 0 BFADLO FC[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000880298849 590993037 /nfs/dbraw/zinc/99/30/37/590993037.db2.gz KUZCPVNHAZLTKX-SSDOTTSWSA-N 1 2 234.727 2.588 20 0 BFADLO FC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000880298849 590993039 /nfs/dbraw/zinc/99/30/39/590993039.db2.gz KUZCPVNHAZLTKX-SSDOTTSWSA-N 1 2 234.727 2.588 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880323473 591004969 /nfs/dbraw/zinc/00/49/69/591004969.db2.gz RPLBHNKQRQEFPP-VIFPVBQESA-N 1 2 246.326 2.978 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880323473 591004973 /nfs/dbraw/zinc/00/49/73/591004973.db2.gz RPLBHNKQRQEFPP-VIFPVBQESA-N 1 2 246.326 2.978 20 0 BFADLO c1cc(C[NH2+]C2(c3ncccn3)CCC2)cs1 ZINC000880368377 591012367 /nfs/dbraw/zinc/01/23/67/591012367.db2.gz YNFXVZFHFPRJTO-UHFFFAOYSA-N 1 2 245.351 2.707 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000880657109 591120110 /nfs/dbraw/zinc/12/01/10/591120110.db2.gz QMBAZEDHQBFMMH-RISCZKNCSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCC[C@]1(C)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000880657109 591120112 /nfs/dbraw/zinc/12/01/12/591120112.db2.gz QMBAZEDHQBFMMH-RISCZKNCSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1[nH+]cnc(N[C@H](C)c2ccccn2)c1C ZINC000881754681 591269174 /nfs/dbraw/zinc/26/91/74/591269174.db2.gz UTZVQDSAWNHESO-LLVKDONJSA-N 1 2 228.299 2.662 20 0 BFADLO Cc1[nH+]cnc(N2CCC(C)(C)CC2)c1C ZINC000881908606 591277559 /nfs/dbraw/zinc/27/75/59/591277559.db2.gz SJRCRFXHXWZZMT-UHFFFAOYSA-N 1 2 219.332 2.720 20 0 BFADLO Cc1[nH+]cnc(NCCCc2nccs2)c1C ZINC000881980111 591284584 /nfs/dbraw/zinc/28/45/84/591284584.db2.gz BDHFVGHHLZJZEP-UHFFFAOYSA-N 1 2 248.355 2.595 20 0 BFADLO C[C@@H](O)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881983579 591285488 /nfs/dbraw/zinc/28/54/88/591285488.db2.gz HZYUGALDSZKYJV-SECBINFHSA-N 1 2 234.274 2.557 20 0 BFADLO Cc1nc(C)c(CNc2nc[nH+]c(C)c2C)s1 ZINC000882019066 591288037 /nfs/dbraw/zinc/28/80/37/591288037.db2.gz HRDNBHKEIGRLBK-UHFFFAOYSA-N 1 2 248.355 2.779 20 0 BFADLO Cc1[nH+]cnc(N(C)CCc2cccs2)c1C ZINC000882031232 591289348 /nfs/dbraw/zinc/28/93/48/591289348.db2.gz BEJJHZVOFHSJDS-UHFFFAOYSA-N 1 2 247.367 2.834 20 0 BFADLO CO[C@@H](CNc1nc[nH+]c(C)c1C)C(C)(C)C ZINC000882040682 591291747 /nfs/dbraw/zinc/29/17/47/591291747.db2.gz UXVZBYXFOKGJPP-NSHDSACASA-N 1 2 237.347 2.566 20 0 BFADLO Cc1[nH+]cnc(N[C@H](C)Cc2ccncc2)c1C ZINC000882059765 591293114 /nfs/dbraw/zinc/29/31/14/591293114.db2.gz LWVHNECYNLBFGQ-SNVBAGLBSA-N 1 2 242.326 2.532 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@@H](C)[C@H](C)C2)c1C ZINC000882146715 591306149 /nfs/dbraw/zinc/30/61/49/591306149.db2.gz AMYMZTRIVKJJLZ-NXEZZACHSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCO[C@H](C(C)C)C2)c1C ZINC000882158365 591308602 /nfs/dbraw/zinc/30/86/02/591308602.db2.gz RSBFZDRQNZKBCL-OLZOCXBDSA-N 1 2 249.358 2.709 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CC[C@H](C)C2)c1C ZINC000882229495 591317691 /nfs/dbraw/zinc/31/76/91/591317691.db2.gz MXKIFNFDUDGWBG-GZMMTYOYSA-N 1 2 205.305 2.694 20 0 BFADLO Cc1ncsc1CCNc1nc[nH+]c(C)c1C ZINC000882415968 591344953 /nfs/dbraw/zinc/34/49/53/591344953.db2.gz JCUNBHFGNOIALX-UHFFFAOYSA-N 1 2 248.355 2.513 20 0 BFADLO Cc1[nH+]cnc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1C ZINC000882444342 591350182 /nfs/dbraw/zinc/35/01/82/591350182.db2.gz LZZSYMYSYRKDDA-WOPDTQHZSA-N 1 2 217.316 2.694 20 0 BFADLO CO[C@@H](CNc1nc[nH+]c(C)c1C)CC(C)C ZINC000882467336 591352686 /nfs/dbraw/zinc/35/26/86/591352686.db2.gz ZHVNYKHYGANIPG-GFCCVEGCSA-N 1 2 237.347 2.566 20 0 BFADLO Cc1[nH+]cnc(NCC[C@@]2(C)CC2(F)F)c1C ZINC000882620622 591401621 /nfs/dbraw/zinc/40/16/21/591401621.db2.gz QAAUAFSODBKLOS-NSHDSACASA-N 1 2 241.285 2.941 20 0 BFADLO Cc1[nH+]cnc(N2CC(c3ccccc3)C2)c1C ZINC000882678611 591410014 /nfs/dbraw/zinc/41/00/14/591410014.db2.gz VZUKXKVIRUASEO-UHFFFAOYSA-N 1 2 239.322 2.697 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CCC(C)(C)CO2)c1C ZINC000882762893 591431837 /nfs/dbraw/zinc/43/18/37/591431837.db2.gz VATJPGVXOMRMQO-GFCCVEGCSA-N 1 2 249.358 2.711 20 0 BFADLO C=C/C=C/CCNc1cc[nH+]c(C2CC2)n1 ZINC000882796328 591441673 /nfs/dbraw/zinc/44/16/73/591441673.db2.gz ROZHCRMZMCPXPK-ONEGZZNKSA-N 1 2 215.300 2.898 20 0 BFADLO FC[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000882840241 591451652 /nfs/dbraw/zinc/45/16/52/591451652.db2.gz OYBLJNGAZHCKAZ-MRVPVSSYSA-N 1 2 248.223 2.896 20 0 BFADLO CC[C@@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000213222072 591455494 /nfs/dbraw/zinc/45/54/94/591455494.db2.gz PQZSAPPANHBPQD-VXGBXAGGSA-N 1 2 234.343 2.761 20 0 BFADLO C[C@H](O)c1ccc(N(C)Cc2ccsc2)[nH+]c1 ZINC000213234931 591455954 /nfs/dbraw/zinc/45/59/54/591455954.db2.gz CQLGYHGXPBSUBO-JTQLQIEISA-N 1 2 248.351 2.833 20 0 BFADLO C[C@H](O)c1ccc(N2CC[C@@H](C)[C@@H](C)C2)[nH+]c1 ZINC000130310380 591457682 /nfs/dbraw/zinc/45/76/82/591457682.db2.gz CNXPUYXJWYGAAC-WOPDTQHZSA-N 1 2 234.343 2.617 20 0 BFADLO CCC1CCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000213241470 591457853 /nfs/dbraw/zinc/45/78/53/591457853.db2.gz OPSBXKKEAPQCTE-NSHDSACASA-N 1 2 234.343 2.761 20 0 BFADLO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2ccccn2)n1 ZINC000882879294 591460042 /nfs/dbraw/zinc/46/00/42/591460042.db2.gz PXMGTNMFBXFRDT-LLVKDONJSA-N 1 2 244.342 2.779 20 0 BFADLO C[C@H](O)c1ccc(N2CCC[C@H](C)CC2)[nH+]c1 ZINC000213288630 591460533 /nfs/dbraw/zinc/46/05/33/591460533.db2.gz AVCGRCJZORAFLL-RYUDHWBXSA-N 1 2 234.343 2.761 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@@H](O)C(C)C ZINC000882988837 591496483 /nfs/dbraw/zinc/49/64/83/591496483.db2.gz KARHOKAERNPINJ-CYBMUJFWSA-N 1 2 237.343 2.738 20 0 BFADLO COc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cn1 ZINC000883045554 591527251 /nfs/dbraw/zinc/52/72/51/591527251.db2.gz DBMJOBLVABHQOP-UHFFFAOYSA-N 1 2 246.314 2.549 20 0 BFADLO Cc1nocc1CNc1c[nH+]c(C)c(C)c1 ZINC000883340965 591620053 /nfs/dbraw/zinc/62/00/53/591620053.db2.gz DRVSJOGFNRQCQH-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO CC[C@H]1C[C@@H](Nc2c[nH+]c(C)c(C)c2)CO1 ZINC000883341721 591620161 /nfs/dbraw/zinc/62/01/61/591620161.db2.gz YFIJVUMRFRKAAV-OLZOCXBDSA-N 1 2 220.316 2.678 20 0 BFADLO COCCC[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342486 591621180 /nfs/dbraw/zinc/62/11/80/591621180.db2.gz ZXTUEFWNWKMKCY-NSHDSACASA-N 1 2 222.332 2.925 20 0 BFADLO Cc1cc(N[C@@H](C)c2nccn2C)c[nH+]c1C ZINC000883342211 591621626 /nfs/dbraw/zinc/62/16/26/591621626.db2.gz OMOTUXGZHJPIRJ-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO Cc1cc(N[C@@H]2CCO[C@H](C)C2)c[nH+]c1C ZINC000883342326 591622033 /nfs/dbraw/zinc/62/20/33/591622033.db2.gz SPWLYDSBTOBKMD-ZYHUDNBSSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1ccc(O)c(CNc2c[nH+]c(C)c(C)c2)n1 ZINC000883342349 591622094 /nfs/dbraw/zinc/62/20/94/591622094.db2.gz TZIIXFRMOURCJX-UHFFFAOYSA-N 1 2 243.310 2.720 20 0 BFADLO COC[C@@H](Nc1c[nH+]c(C)c(C)c1)C(C)C ZINC000883342093 591622221 /nfs/dbraw/zinc/62/22/21/591622221.db2.gz KJCVBJHVJWVDAL-CYBMUJFWSA-N 1 2 222.332 2.781 20 0 BFADLO COC(C)(C)[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883343079 591622741 /nfs/dbraw/zinc/62/27/41/591622741.db2.gz ZHODBOTXBRKPIA-LLVKDONJSA-N 1 2 222.332 2.924 20 0 BFADLO Cc1cc(N[C@H]2COC3(CCC3)C2)c[nH+]c1C ZINC000883342941 591622774 /nfs/dbraw/zinc/62/27/74/591622774.db2.gz RURIFUJSRFUMEM-CYBMUJFWSA-N 1 2 232.327 2.822 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1N)C(F)F ZINC000883407677 591651184 /nfs/dbraw/zinc/65/11/84/591651184.db2.gz BKVHBMLKUKGRPD-ZCFIWIBFSA-N 1 2 234.677 2.665 20 0 BFADLO CCc1nc(NC[C@@H]2CCCSC2)cc[nH+]1 ZINC000884509422 591960841 /nfs/dbraw/zinc/96/08/41/591960841.db2.gz FVKROJIRSCFNOX-JTQLQIEISA-N 1 2 237.372 2.594 20 0 BFADLO CCc1nc(N2C[C@H](C3CC3)[C@H]2C2CC2)cc[nH+]1 ZINC000884522209 591965190 /nfs/dbraw/zinc/96/51/90/591965190.db2.gz ROPYQIHSACLIJM-IUODEOHRSA-N 1 2 243.354 2.664 20 0 BFADLO CCc1nc(N2CC(C(C)(C)C)C2)cc[nH+]1 ZINC000884525865 591966659 /nfs/dbraw/zinc/96/66/59/591966659.db2.gz GATVLWPRMSFUQD-UHFFFAOYSA-N 1 2 219.332 2.521 20 0 BFADLO CCc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc[nH+]1 ZINC000884528468 591967597 /nfs/dbraw/zinc/96/75/97/591967597.db2.gz PQNRZNINWJEOMO-VWYCJHECSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000884543769 591973794 /nfs/dbraw/zinc/97/37/94/591973794.db2.gz NCVRCEYVCZLKHM-GARJFASQSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1nc(N[C@@H](CC)[C@H]2CCCCO2)cc[nH+]1 ZINC000884548312 591976415 /nfs/dbraw/zinc/97/64/15/591976415.db2.gz HTWSBCKKDIRUNQ-NWDGAFQWSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(NC2CC(C)(C)C2)cc[nH+]1 ZINC000884560076 591980357 /nfs/dbraw/zinc/98/03/57/591980357.db2.gz MQLLLWVYWWRTBL-UHFFFAOYSA-N 1 2 205.305 2.640 20 0 BFADLO CCc1nc(N2CC[C@H]3CC[C@@H](C2)S3)cc[nH+]1 ZINC000884563545 591981441 /nfs/dbraw/zinc/98/14/41/591981441.db2.gz INWIJCCVRNATQB-MNOVXSKESA-N 1 2 249.383 2.513 20 0 BFADLO CCc1nc(N2CCCC3(CC3)CC2)cc[nH+]1 ZINC000884567615 591983256 /nfs/dbraw/zinc/98/32/56/591983256.db2.gz NJCCVASRXQWHIK-UHFFFAOYSA-N 1 2 231.343 2.810 20 0 BFADLO CCc1nc(N[C@@H](C)c2ccns2)cc[nH+]1 ZINC000884567078 591983472 /nfs/dbraw/zinc/98/34/72/591983472.db2.gz BBUZFAZBRNGSMK-QMMMGPOBSA-N 1 2 234.328 2.669 20 0 BFADLO CCc1nc(NCC[C@H]2CCCS2)cc[nH+]1 ZINC000884571161 591983905 /nfs/dbraw/zinc/98/39/05/591983905.db2.gz IRPXTMANAYNCGV-SNVBAGLBSA-N 1 2 237.372 2.737 20 0 BFADLO c1cc(C[NH2+]Cc2cncc3ccccc32)no1 ZINC000135380688 592010643 /nfs/dbraw/zinc/01/06/43/592010643.db2.gz ROPXWCBRFHRNBT-UHFFFAOYSA-N 1 2 239.278 2.513 20 0 BFADLO Cc1coc(C(=O)OCc2ccc(C)[nH+]c2C)c1 ZINC000884710732 592014379 /nfs/dbraw/zinc/01/43/79/592014379.db2.gz SOYOBRUFYWQKBZ-UHFFFAOYSA-N 1 2 245.278 2.957 20 0 BFADLO Cc1ccc(COC(=O)C2(C3CC3)CC2)c(C)[nH+]1 ZINC000885732567 592096242 /nfs/dbraw/zinc/09/62/42/592096242.db2.gz YKHZQQKDHCFZRK-UHFFFAOYSA-N 1 2 245.322 2.932 20 0 BFADLO Cc1coc(C[NH2+]Cc2cc(C(C)C)no2)c1 ZINC000885985468 592122105 /nfs/dbraw/zinc/12/21/05/592122105.db2.gz INWASPHBZAGIJG-UHFFFAOYSA-N 1 2 234.299 2.989 20 0 BFADLO Cc1coc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)c1 ZINC000886052420 592141082 /nfs/dbraw/zinc/14/10/82/592141082.db2.gz QGMBKSINRSYZIY-JTQLQIEISA-N 1 2 248.330 2.680 20 0 BFADLO COCc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886273784 592193713 /nfs/dbraw/zinc/19/37/13/592193713.db2.gz GPUBNPBFRGKSDR-NSHDSACASA-N 1 2 246.310 2.672 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1ncco1 ZINC000886274081 592193942 /nfs/dbraw/zinc/19/39/42/592193942.db2.gz MDADTQVQCLNNLP-LLVKDONJSA-N 1 2 245.326 2.591 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2ncco2)ccc1F ZINC000886274382 592194382 /nfs/dbraw/zinc/19/43/82/592194382.db2.gz RNUKXBOIHRZRSH-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO CCOc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886275893 592195254 /nfs/dbraw/zinc/19/52/54/592195254.db2.gz PQFSEUHSYIUGMC-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO COc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886275935 592195454 /nfs/dbraw/zinc/19/54/54/592195454.db2.gz QYOMWISRFQGVPX-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ncco1 ZINC000886275556 592195679 /nfs/dbraw/zinc/19/56/79/592195679.db2.gz DNSOQZANYQMUQC-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO Cc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000886275959 592195879 /nfs/dbraw/zinc/19/58/79/592195879.db2.gz SCRVBJHWUSVENW-NSHDSACASA-N 1 2 216.284 2.834 20 0 BFADLO FC(F)C[N@H+](CCOCC1CCC1)C1CCC1 ZINC000887102057 592442842 /nfs/dbraw/zinc/44/28/42/592442842.db2.gz ADIDFZRMZGUMQX-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)C[N@@H+](CCOCC1CCC1)C1CCC1 ZINC000887102057 592442846 /nfs/dbraw/zinc/44/28/46/592442846.db2.gz ADIDFZRMZGUMQX-UHFFFAOYSA-N 1 2 247.329 2.923 20 0 BFADLO CC(C)C(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102345 592443179 /nfs/dbraw/zinc/44/31/79/592443179.db2.gz MTGAUOUHDRKGIT-UHFFFAOYSA-N 1 2 233.302 2.721 20 0 BFADLO CC(C)C(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102345 592443181 /nfs/dbraw/zinc/44/31/81/592443181.db2.gz MTGAUOUHDRKGIT-UHFFFAOYSA-N 1 2 233.302 2.721 20 0 BFADLO FC(F)C[N@H+](CC[C@@H]1CCCO1)C1CCC1 ZINC000887102169 592443652 /nfs/dbraw/zinc/44/36/52/592443652.db2.gz GBBIFSOYNBOFAU-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](CC[C@@H]1CCCO1)C1CCC1 ZINC000887102169 592443654 /nfs/dbraw/zinc/44/36/54/592443654.db2.gz GBBIFSOYNBOFAU-NSHDSACASA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+](CC(F)F)C1CCC1 ZINC000887102400 592443789 /nfs/dbraw/zinc/44/37/89/592443789.db2.gz OIUWFOKVCFOGAS-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+](CC(F)F)C1CCC1 ZINC000887102400 592443792 /nfs/dbraw/zinc/44/37/92/592443792.db2.gz OIUWFOKVCFOGAS-LBPRGKRZSA-N 1 2 249.345 2.903 20 0 BFADLO Cc1nocc1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000887878370 592556265 /nfs/dbraw/zinc/55/62/65/592556265.db2.gz BKKVGVYTFMLLRI-UHFFFAOYSA-N 1 2 246.270 2.639 20 0 BFADLO Cc1[nH]c(C(=O)NC[C@H]2CCC=CCCC2)c[nH+]1 ZINC000890050972 592671686 /nfs/dbraw/zinc/67/16/86/592671686.db2.gz DYSADUWDIUFOOK-LBPRGKRZSA-N 1 2 247.342 2.584 20 0 BFADLO CCOCCCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC000891436506 631248071 /nfs/dbraw/zinc/24/80/71/631248071.db2.gz OMVPAZPKTIJORI-UHFFFAOYSA-N 1 2 249.358 2.891 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000934025758 631602119 /nfs/dbraw/zinc/60/21/19/631602119.db2.gz IUMACGAYHIZNMZ-VIFPVBQESA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000934025758 631602120 /nfs/dbraw/zinc/60/21/20/631602120.db2.gz IUMACGAYHIZNMZ-VIFPVBQESA-N 1 2 246.137 2.560 20 0 BFADLO Cc1cc(N[C@H]2COCC2(C)C)ccc1[NH+](C)C ZINC000894121277 635674388 /nfs/dbraw/zinc/67/43/88/635674388.db2.gz WYJNUDVIJBJWEZ-AWEZNQCLSA-N 1 2 248.370 2.898 20 0 BFADLO COc1c(C)cnc(CNc2cccc[nH+]2)c1C ZINC000065230851 631669803 /nfs/dbraw/zinc/66/98/03/631669803.db2.gz CEBCXYYOCWEOMX-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000310608084 632803687 /nfs/dbraw/zinc/80/36/87/632803687.db2.gz AWHPIAOTGBCYTG-WFASDCNBSA-N 1 2 246.354 2.734 20 0 BFADLO C[C@H]1CCC[N@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000065940629 632803786 /nfs/dbraw/zinc/80/37/86/632803786.db2.gz PQIJMAOWFLYRPW-VIFPVBQESA-N 1 2 247.264 2.591 20 0 BFADLO C[C@H]1CCC[N@@H+](Cn2ccc(C(F)(F)F)n2)C1 ZINC000065940629 632803790 /nfs/dbraw/zinc/80/37/90/632803790.db2.gz PQIJMAOWFLYRPW-VIFPVBQESA-N 1 2 247.264 2.591 20 0 BFADLO Cc1[nH]ncc1C[NH+]1CCC(CC(C)C)CC1 ZINC000092021418 632809913 /nfs/dbraw/zinc/80/99/13/632809913.db2.gz VMKPRCTYCNKBOZ-UHFFFAOYSA-N 1 2 235.375 2.976 20 0 BFADLO CCOC[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000163030224 633046131 /nfs/dbraw/zinc/04/61/31/633046131.db2.gz WFCHMWHXAXRXDQ-LLVKDONJSA-N 1 2 222.332 2.590 20 0 BFADLO C[C@H](CCO)[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925101174 636009186 /nfs/dbraw/zinc/00/91/86/636009186.db2.gz JDELKQKMYXJRKR-MNOVXSKESA-N 1 2 243.297 2.527 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2csnn2)s1 ZINC000049160112 636029688 /nfs/dbraw/zinc/02/96/88/636029688.db2.gz ZWHCULWJDQBRNB-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO COc1ccsc1[C@H](C)[NH2+]Cc1ccon1 ZINC000309921204 633942847 /nfs/dbraw/zinc/94/28/47/633942847.db2.gz SCMQURMDIHFIRD-QMMMGPOBSA-N 1 2 238.312 2.596 20 0 BFADLO CC[C@@H](C)N(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000930625227 633952423 /nfs/dbraw/zinc/95/24/23/633952423.db2.gz JUTCJIMAIKWYHJ-GFCCVEGCSA-N 1 2 249.358 2.773 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NCC1(F)CC1 ZINC000309598448 633964286 /nfs/dbraw/zinc/96/42/86/633964286.db2.gz WYDDLNMIPCUNCI-UHFFFAOYSA-N 1 2 222.307 2.975 20 0 BFADLO c1nc([C@@H]2CCC[N@H+]2CC2CC3(CCC3)C2)n[nH]1 ZINC000931142891 634226292 /nfs/dbraw/zinc/22/62/92/634226292.db2.gz STOBLDKQFUEUAO-LBPRGKRZSA-N 1 2 246.358 2.522 20 0 BFADLO c1nc([C@@H]2CCC[N@@H+]2CC2CC3(CCC3)C2)n[nH]1 ZINC000931142891 634226295 /nfs/dbraw/zinc/22/62/95/634226295.db2.gz STOBLDKQFUEUAO-LBPRGKRZSA-N 1 2 246.358 2.522 20 0 BFADLO CC(C)=CCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000194992264 634346476 /nfs/dbraw/zinc/34/64/76/634346476.db2.gz OQQBRHBIUSXGPU-CQSZACIVSA-N 1 2 247.338 2.799 20 0 BFADLO CC[N@H+](Cn1ncsc1=S)C1CCCC1 ZINC000123995903 634370765 /nfs/dbraw/zinc/37/07/65/634370765.db2.gz DVOGNFSJDMZIPV-UHFFFAOYSA-N 1 2 243.401 2.896 20 0 BFADLO CC[N@@H+](Cn1ncsc1=S)C1CCCC1 ZINC000123995903 634370769 /nfs/dbraw/zinc/37/07/69/634370769.db2.gz DVOGNFSJDMZIPV-UHFFFAOYSA-N 1 2 243.401 2.896 20 0 BFADLO Cc1ccccc1C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000336352283 635130808 /nfs/dbraw/zinc/13/08/08/635130808.db2.gz DSTMLIOPYLNCHX-CQSZACIVSA-N 1 2 241.338 2.885 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1c[nH]cn1 ZINC000336462943 635158265 /nfs/dbraw/zinc/15/82/65/635158265.db2.gz PJQBHGREUGTRKO-WPRPVWTQSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1c[nH]cn1 ZINC000336462943 635158268 /nfs/dbraw/zinc/15/82/68/635158268.db2.gz PJQBHGREUGTRKO-WPRPVWTQSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2CCCc3[nH]ncc32)cc1 ZINC000336513802 635170154 /nfs/dbraw/zinc/17/01/54/635170154.db2.gz PZTNXKLTPMTCSB-CQSZACIVSA-N 1 2 241.338 2.885 20 0 BFADLO Cc1nc(NC[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000097635634 636189387 /nfs/dbraw/zinc/18/93/87/636189387.db2.gz INTZAJXBAZDUNR-SECBINFHSA-N 1 2 207.321 2.879 20 0 BFADLO CCC(CC)c1noc([C@H](C)[NH+](C)C)n1 ZINC000350607140 636433972 /nfs/dbraw/zinc/43/39/72/636433972.db2.gz OJDZKNMAQWUOSD-QMMMGPOBSA-N 1 2 211.309 2.596 20 0 BFADLO OCc1cc[nH+]c(N2CCCCCCCC2)c1 ZINC000321557094 636650374 /nfs/dbraw/zinc/65/03/74/636650374.db2.gz KPDUMAJXSJZCIR-UHFFFAOYSA-N 1 2 234.343 2.735 20 0 BFADLO Cc1ccc(C(=O)/C=C/c2[nH]cc[nH+]2)cc1 ZINC000067647655 636758598 /nfs/dbraw/zinc/75/85/98/636758598.db2.gz MTEPARDUQIBYTI-VOTSOKGWSA-N 1 2 212.252 2.614 20 0 BFADLO C[C@@H]1OCC[C@H]1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376191 636813146 /nfs/dbraw/zinc/81/31/46/636813146.db2.gz CZACREXFIYWESU-QWRGUYRKSA-N 1 2 222.332 2.606 20 0 BFADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccoc1 ZINC000924749900 637076215 /nfs/dbraw/zinc/07/62/15/637076215.db2.gz QTOCTJSJSUFQQF-NSHDSACASA-N 1 2 232.283 2.743 20 0 BFADLO CC[C@@H]1C[C@H]1CSCCn1cc[nH+]c1 ZINC000902579338 637309510 /nfs/dbraw/zinc/30/95/10/637309510.db2.gz LZBCEYXVDWPQJV-MNOVXSKESA-N 1 2 210.346 2.662 20 0 BFADLO CC/C(C)=C\c1nc(-c2ccc(N)[nH+]c2C)no1 ZINC000904263214 637394811 /nfs/dbraw/zinc/39/48/11/637394811.db2.gz ULDBHFZQQJVKSV-FPLPWBNLSA-N 1 2 244.298 2.836 20 0 BFADLO Cc1cc(C)c(C(=O)N2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000905033484 637553514 /nfs/dbraw/zinc/55/35/14/637553514.db2.gz AOXLXSNTDRXGTR-JTQLQIEISA-N 1 2 246.354 2.879 20 0 BFADLO Cc1ccc(C[S@](=O)C/C=C\Cl)c(C)[nH+]1 ZINC000905196522 637673198 /nfs/dbraw/zinc/67/31/98/637673198.db2.gz ULDFOTFVJKHJAM-OMVNSRBRSA-N 1 2 243.759 2.700 20 0 BFADLO COc1ccccc1-c1c[nH+]c2c(c1)CCCN2 ZINC000906153608 638081342 /nfs/dbraw/zinc/08/13/42/638081342.db2.gz KDHCMNUPLHMWAK-UHFFFAOYSA-N 1 2 240.306 2.758 20 0 BFADLO CC(C)(C)n1cc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000906185085 638094286 /nfs/dbraw/zinc/09/42/86/638094286.db2.gz OOTSVIQWHCBLSE-UHFFFAOYSA-N 1 2 244.342 2.838 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000906581968 638218084 /nfs/dbraw/zinc/21/80/84/638218084.db2.gz JVYKHKVNQQIROF-ZANVPECISA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N2[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000907874866 638496168 /nfs/dbraw/zinc/49/61/68/638496168.db2.gz SJFFUSRRYOUNAP-GHMZBOCLSA-N 1 2 232.327 2.630 20 0 BFADLO CCC(CC)N(CC)C(=O)CNc1cccc[nH+]1 ZINC000908240584 638621902 /nfs/dbraw/zinc/62/19/02/638621902.db2.gz VMVOXWXSMJEJIC-UHFFFAOYSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930243631 639653284 /nfs/dbraw/zinc/65/32/84/639653284.db2.gz HVVLAJFEMHHKAU-CKYFFXLPSA-N 1 2 240.297 2.962 20 0 BFADLO C[C@H](c1ccc(F)nc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000930243631 639653290 /nfs/dbraw/zinc/65/32/90/639653290.db2.gz HVVLAJFEMHHKAU-CKYFFXLPSA-N 1 2 240.297 2.962 20 0 BFADLO Fc1cccc(CC[N@@H+]2Cc3ccncc3C2)c1 ZINC000930462036 639764232 /nfs/dbraw/zinc/76/42/32/639764232.db2.gz DPFVSGLTMASDMK-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Fc1cccc(CC[N@H+]2Cc3ccncc3C2)c1 ZINC000930462036 639764240 /nfs/dbraw/zinc/76/42/40/639764240.db2.gz DPFVSGLTMASDMK-UHFFFAOYSA-N 1 2 242.297 2.779 20 0 BFADLO Cc1nnsc1[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930595562 639815529 /nfs/dbraw/zinc/81/55/29/639815529.db2.gz RNQLWESPJOJHLB-GXSJLCMTSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1nnsc1[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000930595562 639815530 /nfs/dbraw/zinc/81/55/30/639815530.db2.gz RNQLWESPJOJHLB-GXSJLCMTSA-N 1 2 243.351 2.732 20 0 BFADLO F[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930602857 639817559 /nfs/dbraw/zinc/81/75/59/639817559.db2.gz FHDMZXASVLWKGU-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930602857 639817560 /nfs/dbraw/zinc/81/75/60/639817560.db2.gz FHDMZXASVLWKGU-LBPRGKRZSA-N 1 2 246.285 2.885 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1ccccn1 ZINC000930616307 639824574 /nfs/dbraw/zinc/82/45/74/639824574.db2.gz ZJPJOQZPHVYZON-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000930616307 639824576 /nfs/dbraw/zinc/82/45/76/639824576.db2.gz ZJPJOQZPHVYZON-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931140798 640073584 /nfs/dbraw/zinc/07/35/84/640073584.db2.gz ZGLKHABMUYDYDK-RYUDHWBXSA-N 1 2 236.363 2.624 20 0 BFADLO CC(C)C[C@H](C)C[N@H+]1CCC[C@H]1c1nc[nH]n1 ZINC000931140798 640073590 /nfs/dbraw/zinc/07/35/90/640073590.db2.gz ZGLKHABMUYDYDK-RYUDHWBXSA-N 1 2 236.363 2.624 20 0 BFADLO CC(C)N(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC000931833554 640376550 /nfs/dbraw/zinc/37/65/50/640376550.db2.gz HZSRVJGXLHRYFS-UHFFFAOYSA-N 1 2 243.310 2.576 20 0 BFADLO CC(C)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1 ZINC000054765283 640408268 /nfs/dbraw/zinc/40/82/68/640408268.db2.gz AYDOHSJUJJOZGZ-UHFFFAOYSA-N 1 2 229.327 2.823 20 0 BFADLO CCOC[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000164936945 640518467 /nfs/dbraw/zinc/51/84/67/640518467.db2.gz AVVZNRLLSUJVRS-GFCCVEGCSA-N 1 2 236.359 2.898 20 0 BFADLO CC(C)C[N@H+](Cc1ccon1)Cc1ccccn1 ZINC000932446546 640530464 /nfs/dbraw/zinc/53/04/64/640530464.db2.gz SWZKVCCYIJERKM-UHFFFAOYSA-N 1 2 245.326 2.728 20 0 BFADLO CC(C)C[N@@H+](Cc1ccon1)Cc1ccccn1 ZINC000932446546 640530467 /nfs/dbraw/zinc/53/04/67/640530467.db2.gz SWZKVCCYIJERKM-UHFFFAOYSA-N 1 2 245.326 2.728 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCn2cccc2C1 ZINC000932526109 640566477 /nfs/dbraw/zinc/56/64/77/640566477.db2.gz PCBSWNXJMCGKGW-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCn2cccc2C1 ZINC000932526109 640566484 /nfs/dbraw/zinc/56/64/84/640566484.db2.gz PCBSWNXJMCGKGW-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO CC1(C(=O)Nc2ccc3[nH+]ccn3c2)CC=CC1 ZINC000932615765 640587951 /nfs/dbraw/zinc/58/79/51/640587951.db2.gz TYHXAUFSJQGNEQ-UHFFFAOYSA-N 1 2 241.294 2.629 20 0 BFADLO C[C@@H]1C(=O)CCC[N@H+]1CCCCOC(C)(C)C ZINC000932847371 640616840 /nfs/dbraw/zinc/61/68/40/640616840.db2.gz PJMBARFQJAHPFI-GFCCVEGCSA-N 1 2 241.375 2.635 20 0 BFADLO C[C@@H]1C(=O)CCC[N@@H+]1CCCCOC(C)(C)C ZINC000932847371 640616843 /nfs/dbraw/zinc/61/68/43/640616843.db2.gz PJMBARFQJAHPFI-GFCCVEGCSA-N 1 2 241.375 2.635 20 0 BFADLO Cc1ccc(CC[N@@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC000932850403 640625452 /nfs/dbraw/zinc/62/54/52/640625452.db2.gz LCKWIENZRMVGRQ-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO Cc1ccc(CC[N@H+]2CCCC(=O)[C@@H]2C)cc1 ZINC000932850403 640625455 /nfs/dbraw/zinc/62/54/55/640625455.db2.gz LCKWIENZRMVGRQ-ZDUSSCGKSA-N 1 2 231.339 2.591 20 0 BFADLO CCC(C)(C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000933146502 640670531 /nfs/dbraw/zinc/67/05/31/640670531.db2.gz QZKRQRVVIABEMX-UHFFFAOYSA-N 1 2 245.326 2.824 20 0 BFADLO Cc1nonc1C[N@@H+](C)Cc1c(C)cccc1C ZINC000933763546 640764934 /nfs/dbraw/zinc/76/49/34/640764934.db2.gz APDBCXHDBKLDKL-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nonc1C[N@H+](C)Cc1c(C)cccc1C ZINC000933763546 640764938 /nfs/dbraw/zinc/76/49/38/640764938.db2.gz APDBCXHDBKLDKL-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO c1cc(C[N@H+](Cc2ccoc2)C2CC2)sn1 ZINC000934004176 640804570 /nfs/dbraw/zinc/80/45/70/640804570.db2.gz NVSYUNDDLARRAF-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO c1cc(C[N@@H+](Cc2ccoc2)C2CC2)sn1 ZINC000934004176 640804574 /nfs/dbraw/zinc/80/45/74/640804574.db2.gz NVSYUNDDLARRAF-UHFFFAOYSA-N 1 2 234.324 2.901 20 0 BFADLO CCc1nocc1C[N@H+](Cc1ccoc1)C1CC1 ZINC000934005510 640805125 /nfs/dbraw/zinc/80/51/25/640805125.db2.gz QABSWJZHVTUVGC-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO CCc1nocc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934005510 640805127 /nfs/dbraw/zinc/80/51/27/640805127.db2.gz QABSWJZHVTUVGC-UHFFFAOYSA-N 1 2 246.310 2.995 20 0 BFADLO COc1ccc([NH2+]C2CC(C)C2)c(OC)c1 ZINC000231789363 641204211 /nfs/dbraw/zinc/20/42/11/641204211.db2.gz YHZLMSMLOUTLCX-UHFFFAOYSA-N 1 2 221.300 2.914 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc2c(c1)CCCN2C ZINC000188280569 641752708 /nfs/dbraw/zinc/75/27/08/641752708.db2.gz SORWXLBILIIRFM-LBPRGKRZSA-N 1 2 248.370 2.763 20 0 BFADLO COC[C@@H](C)CNc1ccc2c(c1)CCC[N@H+]2C ZINC000188280569 641752710 /nfs/dbraw/zinc/75/27/10/641752710.db2.gz SORWXLBILIIRFM-LBPRGKRZSA-N 1 2 248.370 2.763 20 0 BFADLO COC[C@@H](C)CNc1ccc2c(c1)CCC[N@@H+]2C ZINC000188280569 641752715 /nfs/dbraw/zinc/75/27/15/641752715.db2.gz SORWXLBILIIRFM-LBPRGKRZSA-N 1 2 248.370 2.763 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1cncc(C)c1 ZINC000189782076 641821256 /nfs/dbraw/zinc/82/12/56/641821256.db2.gz CKZGPFABBNIGPA-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1cncc(C)c1 ZINC000189782076 641821261 /nfs/dbraw/zinc/82/12/61/641821261.db2.gz CKZGPFABBNIGPA-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO CCC[N@H+](C/C=C/Cl)[C@H](CC)C(=O)OCC ZINC000190351482 641861018 /nfs/dbraw/zinc/86/10/18/641861018.db2.gz LAHDMQSLUKGXOT-WSKFYRRCSA-N 1 2 247.766 2.793 20 0 BFADLO CCC[N@@H+](C/C=C/Cl)[C@H](CC)C(=O)OCC ZINC000190351482 641861023 /nfs/dbraw/zinc/86/10/23/641861023.db2.gz LAHDMQSLUKGXOT-WSKFYRRCSA-N 1 2 247.766 2.793 20 0 BFADLO C[C@@H](O)CCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919151641 642303580 /nfs/dbraw/zinc/30/35/80/642303580.db2.gz UZPBKLYEVYGSRG-CYBMUJFWSA-N 1 2 244.338 2.635 20 0 BFADLO Cc1csc([C@@H](C)[NH2+]Cc2ccccn2)n1 ZINC000069168453 642834852 /nfs/dbraw/zinc/83/48/52/642834852.db2.gz CQLXBCHGTQKIOP-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353684971 642926409 /nfs/dbraw/zinc/92/64/09/642926409.db2.gz HZCIVYMSHZYAED-IONNQARKSA-N 1 2 247.264 2.718 20 0 BFADLO CC[C@@H](C)COC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181985066 642938994 /nfs/dbraw/zinc/93/89/94/642938994.db2.gz LVPBKSLWXQUQTF-TZMCWYRMSA-N 1 2 249.354 2.879 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000093454309 643335638 /nfs/dbraw/zinc/33/56/38/643335638.db2.gz ZCHORSONUJGWKE-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000093454309 643335643 /nfs/dbraw/zinc/33/56/43/643335643.db2.gz ZCHORSONUJGWKE-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO CC[N@H+](CCC[C@H](C)O)c1ccc(C)cc1 ZINC000049988766 643575198 /nfs/dbraw/zinc/57/51/98/643575198.db2.gz MUVAMRSTRTXJQN-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO CC[N@@H+](CCC[C@H](C)O)c1ccc(C)cc1 ZINC000049988766 643575204 /nfs/dbraw/zinc/57/52/04/643575204.db2.gz MUVAMRSTRTXJQN-ZDUSSCGKSA-N 1 2 221.344 2.982 20 0 BFADLO c1nn(CC2CCC2)cc1CNc1cccc[nH+]1 ZINC000921564331 643610312 /nfs/dbraw/zinc/61/03/12/643610312.db2.gz WLVJLHXHTRBNDY-UHFFFAOYSA-N 1 2 242.326 2.690 20 0 BFADLO c1cc(CNc2cccc[nH+]2)n(C2CCC2)n1 ZINC000921561560 643611874 /nfs/dbraw/zinc/61/18/74/643611874.db2.gz DMRDFWRLOYIHKG-UHFFFAOYSA-N 1 2 228.299 2.615 20 0 BFADLO CCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000085262752 643665556 /nfs/dbraw/zinc/66/55/56/643665556.db2.gz OZCBIGBBCIHQAQ-UHFFFAOYSA-N 1 2 226.707 2.581 20 0 BFADLO CCOc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764829 643674428 /nfs/dbraw/zinc/67/44/28/643674428.db2.gz XQWUHTFHIKDYBI-NSHDSACASA-N 1 2 245.326 2.659 20 0 BFADLO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000073605532 643693405 /nfs/dbraw/zinc/69/34/05/643693405.db2.gz VBAFJTXJWARQIQ-CQSZACIVSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000073605532 643693411 /nfs/dbraw/zinc/69/34/11/643693411.db2.gz VBAFJTXJWARQIQ-CQSZACIVSA-N 1 2 247.338 2.557 20 0 BFADLO CCCc1nc(C[NH+]2CCCCCCC2)no1 ZINC000054982888 643732813 /nfs/dbraw/zinc/73/28/13/643732813.db2.gz AJIPQMOBSXNQEZ-UHFFFAOYSA-N 1 2 237.347 2.788 20 0 BFADLO C[C@H]1CCC[C@@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922484124 644001683 /nfs/dbraw/zinc/00/16/83/644001683.db2.gz IXTJMTMMSNHBMT-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCC[C@H](C(=O)OCc2ccc[nH+]c2N)C1 ZINC000922483749 644002599 /nfs/dbraw/zinc/00/25/99/644002599.db2.gz BNNSWGNRHDMYQL-QWRGUYRKSA-N 1 2 248.326 2.533 20 0 BFADLO C/C(=C\C(=O)OCc1ccc[nH+]c1N)C(C)(C)C ZINC000922498898 644004407 /nfs/dbraw/zinc/00/44/07/644004407.db2.gz ZXGKRRNQBJVAEA-CSKARUKUSA-N 1 2 248.326 2.699 20 0 BFADLO CCC1(C(=O)OCc2ccc(N)[nH+]c2)CCCC1 ZINC000922524533 644012355 /nfs/dbraw/zinc/01/23/55/644012355.db2.gz DUAQCHYMWHLUAK-UHFFFAOYSA-N 1 2 248.326 2.677 20 0 BFADLO F[C@@H]1COc2ccccc2[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000922521884 644012509 /nfs/dbraw/zinc/01/25/09/644012509.db2.gz ZZXWJYBXLWLPJY-TZMCWYRMSA-N 1 2 246.285 2.576 20 0 BFADLO F[C@H]1COc2ccccc2[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000922521881 644013219 /nfs/dbraw/zinc/01/32/19/644013219.db2.gz ZZXWJYBXLWLPJY-GXTWGEPZSA-N 1 2 246.285 2.576 20 0 BFADLO C[C@@H]1CC[C@H](CC(=O)OCc2ccc[nH+]c2N)C1 ZINC000922525177 644014931 /nfs/dbraw/zinc/01/49/31/644014931.db2.gz PHHJUHXKMKGLMJ-MNOVXSKESA-N 1 2 248.326 2.533 20 0 BFADLO c1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)cs1 ZINC000922580319 644031954 /nfs/dbraw/zinc/03/19/54/644031954.db2.gz BFCXCSMVQRHUKH-GFCCVEGCSA-N 1 2 245.351 2.779 20 0 BFADLO C[C@@H]1CCC[C@H]1CC(=O)OCc1ccc(N)[nH+]c1 ZINC000922614092 644041986 /nfs/dbraw/zinc/04/19/86/644041986.db2.gz HINXXFVARZHLLB-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCC[C@@]1(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922770974 644091987 /nfs/dbraw/zinc/09/19/87/644091987.db2.gz UGESBGDYTKMWGI-QMTHXVAHSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]1CCCC[C@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922810175 644099089 /nfs/dbraw/zinc/09/90/89/644099089.db2.gz IWGWOTIUGQQBAO-CMPLNLGQSA-N 1 2 248.326 2.533 20 0 BFADLO CCC[C@H](CC)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922923832 644188522 /nfs/dbraw/zinc/18/85/22/644188522.db2.gz FXJFUWNIPQTHBM-NSHDSACASA-N 1 2 236.315 2.533 20 0 BFADLO C[C@@H]1CC[N@H+](Cn2ncsc2=S)C[C@H]1C ZINC000245697130 644537686 /nfs/dbraw/zinc/53/76/86/644537686.db2.gz BRXUTKGVXKCQGB-RKDXNWHRSA-N 1 2 243.401 2.609 20 0 BFADLO C[C@@H]1CC[N@@H+](Cn2ncsc2=S)C[C@H]1C ZINC000245697130 644537689 /nfs/dbraw/zinc/53/76/89/644537689.db2.gz BRXUTKGVXKCQGB-RKDXNWHRSA-N 1 2 243.401 2.609 20 0 BFADLO C[C@H]1CCC[N@H+](Cn2ncsc2=S)CC1 ZINC000748081554 644588884 /nfs/dbraw/zinc/58/88/84/644588884.db2.gz ALDYEVNFMFXWFD-VIFPVBQESA-N 1 2 243.401 2.754 20 0 BFADLO C[C@H]1CCC[N@@H+](Cn2ncsc2=S)CC1 ZINC000748081554 644588888 /nfs/dbraw/zinc/58/88/88/644588888.db2.gz ALDYEVNFMFXWFD-VIFPVBQESA-N 1 2 243.401 2.754 20 0 BFADLO C[C@H]1CC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000783278128 644753042 /nfs/dbraw/zinc/75/30/42/644753042.db2.gz UIEZQZYDZLJBCK-WCQYABFASA-N 1 2 231.343 2.892 20 0 BFADLO c1cn2cc(-c3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000793368294 644803335 /nfs/dbraw/zinc/80/33/35/644803335.db2.gz UZCSSCQFMKCHGN-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO C/C(=C/C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC1 ZINC000817458458 644984089 /nfs/dbraw/zinc/98/40/89/644984089.db2.gz IABRNFJJIPZMAM-POHAHGRESA-N 1 2 244.338 2.671 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccc(F)c2)co1 ZINC000825050713 645061084 /nfs/dbraw/zinc/06/10/84/645061084.db2.gz QJQFPRWNAXCKCB-UHFFFAOYSA-N 1 2 234.274 2.666 20 0 BFADLO Cc1nonc1[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000926695389 645361795 /nfs/dbraw/zinc/36/17/95/645361795.db2.gz CYQQBUNAPIUOEU-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1cc(N[C@H](C)C(C)(C)CO)c[nH+]c1C ZINC000926856873 645457634 /nfs/dbraw/zinc/45/76/34/645457634.db2.gz ZRNMQWFUDDAZAN-LLVKDONJSA-N 1 2 222.332 2.517 20 0 BFADLO CC[C@H]1COC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000926855314 645458107 /nfs/dbraw/zinc/45/81/07/645458107.db2.gz JOKGBHXTHJHTES-AAEUAGOBSA-N 1 2 220.316 2.535 20 0 BFADLO C[C@@H](N[C@@H](C)C(F)F)c1cn2c([nH+]1)CCCC2 ZINC000926867280 645462400 /nfs/dbraw/zinc/46/24/00/645462400.db2.gz UYEUTBDBAPJOLP-BDAKNGLRSA-N 1 2 243.301 2.524 20 0 BFADLO C[C@H](c1nc(CCC(C)(C)C)no1)[NH+](C)C ZINC000924061788 645975498 /nfs/dbraw/zinc/97/54/98/645975498.db2.gz CMBDHMLSAPUZME-SECBINFHSA-N 1 2 225.336 2.671 20 0 BFADLO CCCN(CCC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929153237 645977950 /nfs/dbraw/zinc/97/79/50/645977950.db2.gz UIDQZJLAJFDOKY-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO CCCCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000929234265 646026996 /nfs/dbraw/zinc/02/69/96/646026996.db2.gz OVXQTSVSRHRPEF-UHFFFAOYSA-N 1 2 245.326 2.825 20 0 BFADLO C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924762793 646102480 /nfs/dbraw/zinc/10/24/80/646102480.db2.gz NWCJZFDFMHEORK-WDEREUQCSA-N 1 2 246.310 2.579 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ncco1 ZINC000924967789 646145120 /nfs/dbraw/zinc/14/51/20/646145120.db2.gz OFLLWDOHMGDANP-SKDRFNHKSA-N 1 2 244.294 2.718 20 0 BFADLO CC(C)([NH2+]Cc1nncs1)c1ccccc1 ZINC000929499001 646153088 /nfs/dbraw/zinc/15/30/88/646153088.db2.gz JKNKIRHARHLKAB-UHFFFAOYSA-N 1 2 233.340 2.563 20 0 BFADLO CC(C)(C)C1CC[NH+](Cc2nncs2)CC1 ZINC000929657657 646227096 /nfs/dbraw/zinc/22/70/96/646227096.db2.gz SOHHSNDTSOPHFY-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCOC1)C(F)(F)c1ccccc1 ZINC000925618682 646365163 /nfs/dbraw/zinc/36/51/63/646365163.db2.gz XDOSHHTYWWJZAP-PWSUYJOCSA-N 1 2 241.281 2.545 20 0 BFADLO C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ncco1 ZINC000925646464 646387636 /nfs/dbraw/zinc/38/76/36/646387636.db2.gz VDKBQPSGNAKNLS-MFKMUULPSA-N 1 2 243.310 2.872 20 0 BFADLO CC[C@@H]1COC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000926052785 646565117 /nfs/dbraw/zinc/56/51/17/646565117.db2.gz OGEIQWUVZRAXSS-TZMCWYRMSA-N 1 2 248.370 2.898 20 0 BFADLO CCc1nc(C[NH2+]C/C=C/Cl)cs1 ZINC000393216467 711675340 /nfs/dbraw/zinc/67/53/40/711675340.db2.gz CUXLPJLTZVVGDU-ONEGZZNKSA-N 1 2 216.737 2.548 20 0 BFADLO CCC1(O)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000707480029 712170966 /nfs/dbraw/zinc/17/09/66/712170966.db2.gz WDIKIERFBZKXAU-CLFYSBASSA-N 1 2 238.158 2.542 20 0 BFADLO CSc1cccc(NCc2[nH]c(C)c(C)[nH+]2)n1 ZINC000902093308 710877829 /nfs/dbraw/zinc/87/78/29/710877829.db2.gz SDNUZFZMRLHOCR-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)C(F)F ZINC000389972471 711101924 /nfs/dbraw/zinc/10/19/24/711101924.db2.gz XGMLXYXFKXUDMJ-DTWKUNHWSA-N 1 2 241.281 2.926 20 0 BFADLO COC(C)(C)C[N@H+](C)C/C(Cl)=C/Cl ZINC000394386061 711190518 /nfs/dbraw/zinc/19/05/18/711190518.db2.gz WIDODZXRCNBIKS-YVMONPNESA-N 1 2 226.147 2.662 20 0 BFADLO COC(C)(C)C[N@@H+](C)C/C(Cl)=C/Cl ZINC000394386061 711190522 /nfs/dbraw/zinc/19/05/22/711190522.db2.gz WIDODZXRCNBIKS-YVMONPNESA-N 1 2 226.147 2.662 20 0 BFADLO FC(F)(F)[C@H]1CC[C@H](CNc2cccc[nH+]2)O1 ZINC000722407217 711754685 /nfs/dbraw/zinc/75/46/85/711754685.db2.gz ODQUMZGPAYDHLE-RKDXNWHRSA-N 1 2 246.232 2.603 20 0 BFADLO CC1(C)CCC[C@@H]1C(=O)OCc1ccc(N)[nH+]c1 ZINC000922620245 711974537 /nfs/dbraw/zinc/97/45/37/711974537.db2.gz NZVNRCLITAGHMD-LLVKDONJSA-N 1 2 248.326 2.533 20 0 BFADLO Clc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(Cl)n1 ZINC000706998041 712163896 /nfs/dbraw/zinc/16/38/96/712163896.db2.gz CBCBWLBHEAWMFY-APPZFPTMSA-N 1 2 243.137 2.983 20 0 BFADLO Clc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(Cl)n1 ZINC000706998041 712163897 /nfs/dbraw/zinc/16/38/97/712163897.db2.gz CBCBWLBHEAWMFY-APPZFPTMSA-N 1 2 243.137 2.983 20 0 BFADLO COc1ccc(C)cc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000708951828 712204300 /nfs/dbraw/zinc/20/43/00/712204300.db2.gz KILLJYRPBUSKRD-UHFFFAOYSA-N 1 2 245.326 2.956 20 0 BFADLO Cc1[nH]c(CNc2cncc(Cl)c2)[nH+]c1C ZINC000708969896 712204349 /nfs/dbraw/zinc/20/43/49/712204349.db2.gz NEGWOQRPWQVYOU-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO Cc1nc(NC[C@H]2CC(C)(C)OC2(C)C)cc[nH+]1 ZINC000709697644 712216393 /nfs/dbraw/zinc/21/63/93/712216393.db2.gz NQMZAJVPDKGDJS-LLVKDONJSA-N 1 2 249.358 2.791 20 0 BFADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cn(C)cn1 ZINC000710005247 712239661 /nfs/dbraw/zinc/23/96/61/712239661.db2.gz NTCSCTYYLWHCFE-LLVKDONJSA-N 1 2 244.342 2.659 20 0 BFADLO Cc1cc(-c2cnn(C(C)(C)C)c2)c[nH+]c1N ZINC000714264959 712481434 /nfs/dbraw/zinc/48/14/34/712481434.db2.gz PJJFCYSLCLAKNM-UHFFFAOYSA-N 1 2 230.315 2.591 20 0 BFADLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccns1 ZINC000715995829 712551288 /nfs/dbraw/zinc/55/12/88/712551288.db2.gz DRMUTEKFNBHBKA-LPEHRKFASA-N 1 2 248.355 2.696 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716397753 712557966 /nfs/dbraw/zinc/55/79/66/712557966.db2.gz FOTAQJKOHASQHO-UHFFFAOYSA-N 1 2 235.318 2.515 20 0 BFADLO CC1(C2CC2)CC[NH+](Cc2cnsn2)CC1 ZINC000846909366 712608150 /nfs/dbraw/zinc/60/81/50/712608150.db2.gz HIZOJJNDMJKVDH-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO Cc1cc(N)nc(SCCCC(C)(F)F)[nH+]1 ZINC000718705206 712777881 /nfs/dbraw/zinc/77/78/81/712777881.db2.gz CCDMPLLZANLRHW-UHFFFAOYSA-N 1 2 247.314 2.895 20 0 BFADLO Cc1conc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000720362572 712835515 /nfs/dbraw/zinc/83/55/15/712835515.db2.gz LVRJIOTWPCDTCN-JTQLQIEISA-N 1 2 232.283 2.539 20 0 BFADLO Cc1nc(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cs1 ZINC001206798913 957170541 /nfs/dbraw/zinc/17/05/41/957170541.db2.gz KWIVCUPERXWPPT-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1nc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cs1 ZINC001206798913 957170554 /nfs/dbraw/zinc/17/05/54/957170554.db2.gz KWIVCUPERXWPPT-KWQFWETISA-N 1 2 228.336 2.631 20 0 BFADLO Cc1[nH+]cc(Nc2ccnc(Cl)c2)cc1N ZINC001210286058 957715731 /nfs/dbraw/zinc/71/57/31/957715731.db2.gz UTFYPGOFYKQREC-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO CC(C)(C)c1nc[nH]c1C[N@H+]1CCC[C@@H](F)C1 ZINC001142226726 961352928 /nfs/dbraw/zinc/35/29/28/961352928.db2.gz OCUXYQQHTGZKAF-SNVBAGLBSA-N 1 2 239.338 2.641 20 0 BFADLO CCOc1ccc(C[N@@H+]2CC[C@H]2C)c(F)c1F ZINC001143269963 961991031 /nfs/dbraw/zinc/99/10/31/961991031.db2.gz TWEIUCPHVHJUII-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1ccc(C[N@H+]2CC[C@H]2C)c(F)c1F ZINC001143269963 961991057 /nfs/dbraw/zinc/99/10/57/961991057.db2.gz TWEIUCPHVHJUII-SECBINFHSA-N 1 2 241.281 2.958 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cnc(C)s1 ZINC001212128865 964907174 /nfs/dbraw/zinc/90/71/74/964907174.db2.gz ZJOSDOTXSCKODV-UHFFFAOYSA-N 1 2 235.312 2.989 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cncnc2C)c1 ZINC001203656462 966722196 /nfs/dbraw/zinc/72/21/96/966722196.db2.gz UVXKESXNQONOGU-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO CCCOC1C[NH+](Cc2ccc(C)cc2)C1 ZINC001204171547 966914678 /nfs/dbraw/zinc/91/46/78/966914678.db2.gz KPIXSEMPUUJHIL-UHFFFAOYSA-N 1 2 219.328 2.606 20 0 BFADLO O=C1CCC[N@@H+](CCC2CCCCC2)C[C@@H]1F ZINC001207254956 968695310 /nfs/dbraw/zinc/69/53/10/968695310.db2.gz QSBLZNCIZXPAMV-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO O=C1CCC[N@H+](CCC2CCCCC2)C[C@@H]1F ZINC001207254956 968695317 /nfs/dbraw/zinc/69/53/17/968695317.db2.gz QSBLZNCIZXPAMV-ZDUSSCGKSA-N 1 2 241.350 2.960 20 0 BFADLO Cc1cc(C)c(NC[C@H](O)C(C)(C)C)c[nH+]1 ZINC001253717784 969343026 /nfs/dbraw/zinc/34/30/26/969343026.db2.gz OFDBKCGWFBQJSW-LBPRGKRZSA-N 1 2 222.332 2.517 20 0 BFADLO COc1cc[nH+]cc1NC1=CCCCC1 ZINC001175753157 977701467 /nfs/dbraw/zinc/70/14/67/977701467.db2.gz SHCVFKVRXNRLEF-UHFFFAOYSA-N 1 2 204.273 2.960 20 0 BFADLO Fc1ccc(Cl)nc1C[NH+]1CCCCC1 ZINC001232157806 977897945 /nfs/dbraw/zinc/89/79/45/977897945.db2.gz VKROJLFNBWWOQV-UHFFFAOYSA-N 1 2 228.698 2.860 20 0 BFADLO CCCC=CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001597811274 978377770 /nfs/dbraw/zinc/37/77/70/978377770.db2.gz ABLVBEIVSDEJFK-SREVYHEPSA-N 1 2 235.331 2.506 20 0 BFADLO CCC/C=C\C(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001597811274 978377780 /nfs/dbraw/zinc/37/77/80/978377780.db2.gz ABLVBEIVSDEJFK-SREVYHEPSA-N 1 2 235.331 2.506 20 0 BFADLO CCOc1ncc(Cl)cc1C[N@@H+]1CC[C@@H]1C ZINC001233166742 978484759 /nfs/dbraw/zinc/48/47/59/978484759.db2.gz HCWOIVJCOXLGML-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1ncc(Cl)cc1C[N@H+]1CC[C@@H]1C ZINC001233166742 978484766 /nfs/dbraw/zinc/48/47/66/978484766.db2.gz HCWOIVJCOXLGML-VIFPVBQESA-N 1 2 240.734 2.728 20 0 BFADLO Cc1[nH]c(CN2CCCC[C@@](C)(F)C2)c(C)[nH+]1 ZINC001234600180 978870917 /nfs/dbraw/zinc/87/09/17/978870917.db2.gz CMGZSVDGIANODE-CYBMUJFWSA-N 1 2 239.338 2.741 20 0 BFADLO Cc1c(Cl)cccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001180367749 978875020 /nfs/dbraw/zinc/87/50/20/978875020.db2.gz CQKBGYKKKMLFMN-JTQLQIEISA-N 1 2 239.746 2.869 20 0 BFADLO Fc1cc(C[NH+]2CCCC2)c(F)c(F)c1F ZINC001235339600 979028595 /nfs/dbraw/zinc/02/85/95/979028595.db2.gz KRBRONWFVMAOIV-UHFFFAOYSA-N 1 2 233.208 2.839 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2ncc(Cl)cn2)CC1 ZINC001235415958 979041731 /nfs/dbraw/zinc/04/17/31/979041731.db2.gz GXQIUSRRKHOVAL-JTQLQIEISA-N 1 2 239.750 2.752 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)CC1 ZINC001235415958 979041736 /nfs/dbraw/zinc/04/17/36/979041736.db2.gz GXQIUSRRKHOVAL-JTQLQIEISA-N 1 2 239.750 2.752 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ccncc1C(F)(F)F ZINC001237286222 979863672 /nfs/dbraw/zinc/86/36/72/979863672.db2.gz XVQPBGWITZMFEF-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001237651337 980005332 /nfs/dbraw/zinc/00/53/32/980005332.db2.gz JSAARLQHPRMJKR-UHFFFAOYSA-N 1 2 243.301 2.593 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CCCC(F)(F)CC1 ZINC001237651337 980005341 /nfs/dbraw/zinc/00/53/41/980005341.db2.gz JSAARLQHPRMJKR-UHFFFAOYSA-N 1 2 243.301 2.593 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1F ZINC001237815406 980066474 /nfs/dbraw/zinc/06/64/74/980066474.db2.gz VTDJFRXCKJOCLS-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@](C)(F)C2)ccc1F ZINC001237815406 980066485 /nfs/dbraw/zinc/06/64/85/980066485.db2.gz VTDJFRXCKJOCLS-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(F)cn2)c1 ZINC001203654687 980480489 /nfs/dbraw/zinc/48/04/89/980480489.db2.gz PMGNAHWSQAZAJA-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CC(C)(C)CC ZINC001345996076 980726807 /nfs/dbraw/zinc/72/68/07/980726807.db2.gz MEFUJCGJMCVZQM-UHFFFAOYSA-N 1 2 238.331 2.773 20 0 BFADLO COc1cccc(Cn2cc[nH+]c2)c1Cl ZINC001191672752 981073721 /nfs/dbraw/zinc/07/37/21/981073721.db2.gz OQRZLZZZCYQLHF-UHFFFAOYSA-N 1 2 222.675 2.593 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)ccc1Cl ZINC001241732784 983022485 /nfs/dbraw/zinc/02/24/85/983022485.db2.gz HRZCTUTYCLDHSQ-UHFFFAOYSA-N 1 2 222.675 2.749 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C(C)C)C2)c1C ZINC001331550905 974758249 /nfs/dbraw/zinc/75/82/49/974758249.db2.gz WFQVHGDEYRHHRI-ZDUSSCGKSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C(C)C)C2)c1C ZINC001331550905 974758256 /nfs/dbraw/zinc/75/82/56/974758256.db2.gz WFQVHGDEYRHHRI-ZDUSSCGKSA-N 1 2 235.375 2.895 20 0 BFADLO CC[C@H]1CC[C@H](OCc2c[nH+]cn2C)CC1 ZINC001222600941 972598708 /nfs/dbraw/zinc/59/87/08/972598708.db2.gz VYEPLPIAYNDOTF-AULYBMBSSA-N 1 2 222.332 2.906 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647839 972912247 /nfs/dbraw/zinc/91/22/47/972912247.db2.gz MDWFOCZVPIEBOE-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144647839 972912275 /nfs/dbraw/zinc/91/22/75/972912275.db2.gz MDWFOCZVPIEBOE-QMMMGPOBSA-N 1 2 227.254 2.512 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246837045 973142568 /nfs/dbraw/zinc/14/25/68/973142568.db2.gz PCQMZKRSBAUBCN-TUAOUCFPSA-N 1 2 248.361 2.870 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@H](N)C(F)(F)C1 ZINC001246837045 973142582 /nfs/dbraw/zinc/14/25/82/973142582.db2.gz PCQMZKRSBAUBCN-TUAOUCFPSA-N 1 2 248.361 2.870 20 0 BFADLO COc1ccc(C)c(Nc2[nH+]cccc2N)c1 ZINC000306013013 970825765 /nfs/dbraw/zinc/82/57/65/970825765.db2.gz RYPVCZUPKPUQIP-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO Cc1nocc1-c1ccc2[nH+]ccn2c1C ZINC001243679921 970843556 /nfs/dbraw/zinc/84/35/56/970843556.db2.gz GXPOPARMLDDXHU-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO C=Cc1ccc(NCCCOC(C)C)[nH+]c1 ZINC001157870337 970844364 /nfs/dbraw/zinc/84/43/64/970844364.db2.gz FHFXAYOFFLBUGZ-UHFFFAOYSA-N 1 2 220.316 2.952 20 0 BFADLO CC(C)Cc1nnc([C@@H]2CC[N@@H+]2C(C)(C)C)o1 ZINC001256457587 970847686 /nfs/dbraw/zinc/84/76/86/970847686.db2.gz RBAHRRKGFAUSRQ-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CC(C)Cc1nnc([C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC001256457587 970847691 /nfs/dbraw/zinc/84/76/91/970847691.db2.gz RBAHRRKGFAUSRQ-JTQLQIEISA-N 1 2 237.347 2.813 20 0 BFADLO CCc1cc(Nc2cc(C)[nH+]c(C)n2)ccc1N ZINC001216034539 970907311 /nfs/dbraw/zinc/90/73/11/970907311.db2.gz FJBSDDRKIIMLLA-UHFFFAOYSA-N 1 2 242.326 2.982 20 0 BFADLO COc1c[nH+]c(NC(C2CC2)C2CC2)c(C)c1 ZINC001157920697 970931606 /nfs/dbraw/zinc/93/16/06/970931606.db2.gz FTHWEKWTSNKADC-UHFFFAOYSA-N 1 2 232.327 2.999 20 0 BFADLO CCc1ccc[nH+]c1Nc1ccc(O)c(CO)c1 ZINC001216137999 970956854 /nfs/dbraw/zinc/95/68/54/970956854.db2.gz WVYKNKMPCUSVBK-UHFFFAOYSA-N 1 2 244.294 2.586 20 0 BFADLO CCc1cccc(Nc2ccc(O)c(CO)c2)[nH+]1 ZINC001216138641 970956994 /nfs/dbraw/zinc/95/69/94/970956994.db2.gz QZJOMNROGJKFBE-UHFFFAOYSA-N 1 2 244.294 2.586 20 0 BFADLO COc1cc(CO)cc(Nc2cccc(C)[nH+]2)c1 ZINC001216196763 970982878 /nfs/dbraw/zinc/98/28/78/970982878.db2.gz JGOGIXINFXFWCA-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO CC1(F)C[NH+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256812066 970992213 /nfs/dbraw/zinc/99/22/13/970992213.db2.gz QUCRWGSZTQMDLD-KBPBESRZSA-N 1 2 249.329 2.951 20 0 BFADLO CCC[C@@H](C)[N@H+]1Cc2nc(C)sc2C1 ZINC001257329021 971231981 /nfs/dbraw/zinc/23/19/81/971231981.db2.gz WCGRARNTFVAQFG-MRVPVSSYSA-N 1 2 210.346 2.956 20 0 BFADLO CCC[C@@H](C)[N@@H+]1Cc2nc(C)sc2C1 ZINC001257329021 971231989 /nfs/dbraw/zinc/23/19/89/971231989.db2.gz WCGRARNTFVAQFG-MRVPVSSYSA-N 1 2 210.346 2.956 20 0 BFADLO CCCCC[C@H](C)[NH2+]C1(C(=O)OCC)CC1 ZINC001257502059 971400804 /nfs/dbraw/zinc/40/08/04/971400804.db2.gz RMCMLNOJZMGRME-NSHDSACASA-N 1 2 227.348 2.641 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@H]1CCCCC1=O ZINC001224966956 974108078 /nfs/dbraw/zinc/10/80/78/974108078.db2.gz UTTHENFVKMEMAU-LBPRGKRZSA-N 1 2 241.331 2.699 20 0 BFADLO CCCCC[C@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001257512608 971433034 /nfs/dbraw/zinc/43/30/34/971433034.db2.gz NTJDSEXALHFXLR-JTQLQIEISA-N 1 2 225.336 2.779 20 0 BFADLO CCCCC[C@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001257512608 971433042 /nfs/dbraw/zinc/43/30/42/971433042.db2.gz NTJDSEXALHFXLR-JTQLQIEISA-N 1 2 225.336 2.779 20 0 BFADLO CCCCC[C@H](C)[N@@H+]1CCCC(=O)[C@@H](F)C1 ZINC001257513402 971432565 /nfs/dbraw/zinc/43/25/65/971432565.db2.gz SQYJJRDGVOPQPW-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@H](C)[N@H+]1CCCC(=O)[C@@H](F)C1 ZINC001257513402 971432568 /nfs/dbraw/zinc/43/25/68/971432568.db2.gz SQYJJRDGVOPQPW-RYUDHWBXSA-N 1 2 229.339 2.958 20 0 BFADLO CCCCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001257512609 971435004 /nfs/dbraw/zinc/43/50/04/971435004.db2.gz NTJDSEXALHFXLR-SNVBAGLBSA-N 1 2 225.336 2.779 20 0 BFADLO CCCCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001257512609 971435010 /nfs/dbraw/zinc/43/50/10/971435010.db2.gz NTJDSEXALHFXLR-SNVBAGLBSA-N 1 2 225.336 2.779 20 0 BFADLO FC1(F)C[NH2+]C[C@H](OCC2CCCCC2)C1 ZINC001217854382 971445012 /nfs/dbraw/zinc/44/50/12/971445012.db2.gz BCWRMHDRSJNYAS-LLVKDONJSA-N 1 2 233.302 2.581 20 0 BFADLO CC1CCC(CO[C@@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001217856838 971449031 /nfs/dbraw/zinc/44/90/31/971449031.db2.gz RGTGPQWOKVQNGH-MCIGGMRASA-N 1 2 247.329 2.827 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccccc1S ZINC001217988404 971561612 /nfs/dbraw/zinc/56/16/12/971561612.db2.gz PWKHVDAYDXLWTJ-MNOVXSKESA-N 1 2 237.368 2.742 20 0 BFADLO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(S)cc1 ZINC001217984726 971563247 /nfs/dbraw/zinc/56/32/47/971563247.db2.gz HBWSCSGDLGYPIF-ZWNOBZJWSA-N 1 2 237.368 2.742 20 0 BFADLO C[C@@H](Oc1cccc(S)c1)C1CC[NH2+]CC1 ZINC001218003141 971565070 /nfs/dbraw/zinc/56/50/70/971565070.db2.gz YIXIBSWXUUBCMC-SNVBAGLBSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1cc(F)ccc1O[C@@H]1CC[NH2+]CC1(F)F ZINC001218006270 971568061 /nfs/dbraw/zinc/56/80/61/971568061.db2.gz POYCOUOJSVDYGL-LLVKDONJSA-N 1 2 245.244 2.510 20 0 BFADLO CNc1cc(-c2cn3cc[nH+]c3cc2C)ccn1 ZINC001244973410 971581236 /nfs/dbraw/zinc/58/12/36/971581236.db2.gz OZSYTZIUIXJGRC-UHFFFAOYSA-N 1 2 238.294 2.746 20 0 BFADLO CCCOC1C[NH+](Cc2csc(C)c2)C1 ZINC001248803376 974261380 /nfs/dbraw/zinc/26/13/80/974261380.db2.gz VPJBFKAYHSFPQI-UHFFFAOYSA-N 1 2 225.357 2.667 20 0 BFADLO Sc1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC001218090710 971597614 /nfs/dbraw/zinc/59/76/14/971597614.db2.gz CKNSKGJTUHDOPZ-KBPBESRZSA-N 1 2 249.379 2.886 20 0 BFADLO Sc1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218144222 971607475 /nfs/dbraw/zinc/60/74/75/971607475.db2.gz LULIRHKEVIZBEG-DDTOSNHZSA-N 1 2 249.379 2.742 20 0 BFADLO Cc1ccc(O[C@@H]2C[NH2+]CC(F)(F)C2)cc1F ZINC001218273953 971669365 /nfs/dbraw/zinc/66/93/65/971669365.db2.gz URVVZDJARRNEDJ-JTQLQIEISA-N 1 2 245.244 2.510 20 0 BFADLO CC[C@H](Oc1ccc[nH+]c1N)C(C)(C)C ZINC001218293065 971692759 /nfs/dbraw/zinc/69/27/59/971692759.db2.gz FNDFGTHBBYDPLV-JTQLQIEISA-N 1 2 208.305 2.867 20 0 BFADLO c1cn(Cc2ccc(C3=CCCOC3)cc2)c[nH+]1 ZINC001245160352 971713998 /nfs/dbraw/zinc/71/39/98/971713998.db2.gz JIOXTKOSMDKTBE-UHFFFAOYSA-N 1 2 240.306 2.735 20 0 BFADLO CCC=CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170766421 971760289 /nfs/dbraw/zinc/76/02/89/971760289.db2.gz IEYBNDWHQNIJLX-ZZXKWVIFSA-N 1 2 228.299 2.662 20 0 BFADLO C[N@H+](CC(F)F)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170766140 971760454 /nfs/dbraw/zinc/76/04/54/971760454.db2.gz JLKQMTYIWHPWFE-AYMMMOKOSA-N 1 2 203.276 2.618 20 0 BFADLO C[N@@H+](CC(F)F)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170766140 971760461 /nfs/dbraw/zinc/76/04/61/971760461.db2.gz JLKQMTYIWHPWFE-AYMMMOKOSA-N 1 2 203.276 2.618 20 0 BFADLO Cc1cc(S)ccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218402726 971778803 /nfs/dbraw/zinc/77/88/03/971778803.db2.gz FLNYMOGOJOLTTN-CYBMUJFWSA-N 1 2 249.379 2.805 20 0 BFADLO COc1c(C)ccc(F)c1Nc1ccc(N)[nH+]c1 ZINC001159282110 971805039 /nfs/dbraw/zinc/80/50/39/971805039.db2.gz NOAGNJKEPPAFBB-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1cc(-c2c[nH]c3cnccc32)c[nH+]c1N ZINC001245396262 971807464 /nfs/dbraw/zinc/80/74/64/971807464.db2.gz VPEVLSRCSQDMCL-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CC1(C)C[C@H](Oc2ccccc2S)CC[NH2+]1 ZINC001218476270 971827595 /nfs/dbraw/zinc/82/75/95/971827595.db2.gz PBSKBCNRNWCANU-SNVBAGLBSA-N 1 2 237.368 2.885 20 0 BFADLO Cc1cc(-c2nccc3ncccc32)c[nH+]c1N ZINC001245535944 971848729 /nfs/dbraw/zinc/84/87/29/971848729.db2.gz ILWSJWLPZIFALG-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CSc1cc(-c2c[nH+]c(N)c(C)c2)ncc1F ZINC001245537170 971850856 /nfs/dbraw/zinc/85/08/56/971850856.db2.gz ZGMQUTYNSDNECH-UHFFFAOYSA-N 1 2 249.314 2.895 20 0 BFADLO Cc1cc(-c2ccc3[nH]cnc3c2F)c[nH+]c1N ZINC001245540140 971851483 /nfs/dbraw/zinc/85/14/83/971851483.db2.gz OXXRUJCFCLKELS-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO CCc1nn(C[N@@H+](CC)CC(C)C)c(=S)o1 ZINC001331016691 974558580 /nfs/dbraw/zinc/55/85/80/974558580.db2.gz IHRCCNZDUBKKLC-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO c1nc(C[N@H+]2CC=C(c3ccccc3)CC2)co1 ZINC000191920321 972117330 /nfs/dbraw/zinc/11/73/30/972117330.db2.gz RLCHINABLUDMON-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO c1nc(C[N@@H+]2CC=C(c3ccccc3)CC2)co1 ZINC000191920321 972117336 /nfs/dbraw/zinc/11/73/36/972117336.db2.gz RLCHINABLUDMON-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO CCCCc1nc(Cl)c(C[N@H+](C)CC)[nH]1 ZINC000193668801 972232090 /nfs/dbraw/zinc/23/20/90/972232090.db2.gz SXGPZRUBMXDBRL-UHFFFAOYSA-N 1 2 229.755 2.857 20 0 BFADLO CCCCc1nc(Cl)c(C[N@@H+](C)CC)[nH]1 ZINC000193668801 972232093 /nfs/dbraw/zinc/23/20/93/972232093.db2.gz SXGPZRUBMXDBRL-UHFFFAOYSA-N 1 2 229.755 2.857 20 0 BFADLO Cc1cc(C)c(Nc2ccsc2C(N)=O)c[nH+]1 ZINC001213505266 956983657 /nfs/dbraw/zinc/98/36/57/956983657.db2.gz AGMDXTRMBGZABU-UHFFFAOYSA-N 1 2 247.323 2.602 20 0 BFADLO Cc1cnc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001211494114 957045915 /nfs/dbraw/zinc/04/59/15/957045915.db2.gz WALMIFJQWOQOQN-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO COc1cc(F)ncc1Nc1c[nH+]c(C)cc1C ZINC001213511094 957075845 /nfs/dbraw/zinc/07/58/45/957075845.db2.gz VZZJIZHCEBWRPU-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO Cc1cc(CC(C)C)[nH+]cc1NC1=CCOC1 ZINC001203386089 957111931 /nfs/dbraw/zinc/11/19/31/957111931.db2.gz JBAGDMYFRPUEEU-UHFFFAOYSA-N 1 2 232.327 2.915 20 0 BFADLO Oc1ccc2c(c1)C[C@H](Nc1cccc[nH+]1)CC2 ZINC001171030369 972252876 /nfs/dbraw/zinc/25/28/76/972252876.db2.gz LXVFRUKACKUNTO-CYBMUJFWSA-N 1 2 240.306 2.757 20 0 BFADLO COCc1cc[nH+]c(N2CC3(C2)CCCCC3)c1 ZINC001167180936 957523205 /nfs/dbraw/zinc/52/32/05/957523205.db2.gz GXOGIXAIABEBKS-UHFFFAOYSA-N 1 2 246.354 2.999 20 0 BFADLO CC(C)c1ccc(N2CC[C@H]3OCC[C@@H]3C2)[nH+]c1 ZINC001167218078 957551916 /nfs/dbraw/zinc/55/19/16/957551916.db2.gz WQWZXTUBSLPWFA-ZIAGYGMSSA-N 1 2 246.354 2.820 20 0 BFADLO FC[C@H]1[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]12 ZINC001167223072 957554669 /nfs/dbraw/zinc/55/46/69/957554669.db2.gz FIVIIYYXOMOXAL-ZSOGYDGISA-N 1 2 242.297 2.887 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccccc1N(C)C ZINC001209988776 957600892 /nfs/dbraw/zinc/60/08/92/957600892.db2.gz JPXLLNDNFWHYAJ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1[nH+]cc(Nc2cncc(Cl)c2)cc1N ZINC001210286724 957715602 /nfs/dbraw/zinc/71/56/02/957715602.db2.gz FKVDFDPQEPDEHL-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1ccc2cc(NC3CC(=O)C3)[nH+]cc2c1 ZINC001167333443 957786706 /nfs/dbraw/zinc/78/67/06/957786706.db2.gz CLLFUYQDQSOXEZ-UHFFFAOYSA-N 1 2 226.279 2.687 20 0 BFADLO CCN(C)c1ccc(Nc2cnoc2C)c[nH+]1 ZINC001210578558 957801969 /nfs/dbraw/zinc/80/19/69/957801969.db2.gz LDFYSTHAWTUGMB-UHFFFAOYSA-N 1 2 232.287 2.578 20 0 BFADLO Cc1ccc(O)c(Nc2ccc([C@H](C)O)cc2)[nH+]1 ZINC001210641112 957836754 /nfs/dbraw/zinc/83/67/54/957836754.db2.gz POTGCSKIKCCKHH-JTQLQIEISA-N 1 2 244.294 2.893 20 0 BFADLO Cc1ccc(O)c(Nc2ccc([C@@H](C)O)cc2)[nH+]1 ZINC001210641113 957838726 /nfs/dbraw/zinc/83/87/26/957838726.db2.gz POTGCSKIKCCKHH-SNVBAGLBSA-N 1 2 244.294 2.893 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925937 972299426 /nfs/dbraw/zinc/29/94/26/972299426.db2.gz ZDKUOINOMFBRGI-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC001136925937 972299430 /nfs/dbraw/zinc/29/94/30/972299430.db2.gz ZDKUOINOMFBRGI-CABZTGNLSA-N 1 2 242.725 2.915 20 0 BFADLO CCN(C)c1ccc(Nc2nccs2)c[nH+]1 ZINC001210991744 957975751 /nfs/dbraw/zinc/97/57/51/957975751.db2.gz UTVRFVVTCIBVOL-UHFFFAOYSA-N 1 2 234.328 2.738 20 0 BFADLO Cc1ccc(Nc2ccc3c(c2)NC(=O)C3)[nH+]c1 ZINC001211012141 957989009 /nfs/dbraw/zinc/98/90/09/957989009.db2.gz XFWNSBWIMPXCAW-UHFFFAOYSA-N 1 2 239.278 2.628 20 0 BFADLO COc1cc[nH+]c(Nc2ccoc2C)c1 ZINC001211238401 958088966 /nfs/dbraw/zinc/08/89/66/958088966.db2.gz ZLWWPRSGGLSLTO-UHFFFAOYSA-N 1 2 204.229 2.735 20 0 BFADLO COc1ncc(Nc2[nH+]cc(C)cc2C)cc1F ZINC001203400367 958149879 /nfs/dbraw/zinc/14/98/79/958149879.db2.gz GWLOVHVQNLOCBK-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CC[C@@H]1C[C@H]1CSc1nc(N)cc(C)[nH+]1 ZINC000723067739 958150122 /nfs/dbraw/zinc/15/01/22/958150122.db2.gz QHTDLQKDAUWEFB-BDAKNGLRSA-N 1 2 223.345 2.505 20 0 BFADLO COc1ncc(Nc2[nH+]c(C)ccc2C)cc1F ZINC001203401195 958207958 /nfs/dbraw/zinc/20/79/58/958207958.db2.gz VHCMWOGCLOHCAV-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CCCCCC[C@@H](CC)N[C@H]1C[NH2+]CC1(F)F ZINC001246460425 972333930 /nfs/dbraw/zinc/33/39/30/972333930.db2.gz MPSDHUOZBSQWOA-NEPJUHHUSA-N 1 2 248.361 2.932 20 0 BFADLO CCCCCC[C@@H](CC)[NH2+][C@H]1CNCC1(F)F ZINC001246460425 972333931 /nfs/dbraw/zinc/33/39/31/972333931.db2.gz MPSDHUOZBSQWOA-NEPJUHHUSA-N 1 2 248.361 2.932 20 0 BFADLO CCCCCC[C@H](CC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246460426 972334549 /nfs/dbraw/zinc/33/45/49/972334549.db2.gz MPSDHUOZBSQWOA-NWDGAFQWSA-N 1 2 248.361 2.932 20 0 BFADLO CCCCCC[C@H](CC)[NH2+][C@@H]1CNCC1(F)F ZINC001246460426 972334554 /nfs/dbraw/zinc/33/45/54/972334554.db2.gz MPSDHUOZBSQWOA-NWDGAFQWSA-N 1 2 248.361 2.932 20 0 BFADLO CC1(C)C[NH+](Cc2ccnc(Cl)c2)C1 ZINC000306188030 958377335 /nfs/dbraw/zinc/37/73/35/958377335.db2.gz MPPVPVFASLUAEM-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO CNc1ccc(N[C@@H](C)c2ccc(F)cn2)c[nH+]1 ZINC001167483085 958436973 /nfs/dbraw/zinc/43/69/73/958436973.db2.gz JYEFVSGABZTXDZ-VIFPVBQESA-N 1 2 246.289 2.831 20 0 BFADLO CCOc1ccc(/C(C)=C/C=C/[NH3+])c(C)n1 ZINC001222106524 972369587 /nfs/dbraw/zinc/36/95/87/972369587.db2.gz LSNGHISMPJFEKL-NXZHAISVSA-N 1 2 218.300 2.664 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@H](OCCn2cc[nH+]c2)C1 ZINC001222135189 972378812 /nfs/dbraw/zinc/37/88/12/972378812.db2.gz XMPCABYXIGEAFP-FRRDWIJNSA-N 1 2 222.332 2.724 20 0 BFADLO Cc1ccccc1[C@H](C)OCCn1cc[nH+]c1 ZINC001222135183 972380308 /nfs/dbraw/zinc/38/03/08/972380308.db2.gz XIOIDDLTSLFBBF-ZDUSSCGKSA-N 1 2 230.311 2.969 20 0 BFADLO C[C@@H]1CC[C@H](OCCn2cc[nH+]c2)C[C@@H]1C ZINC001222134506 972380801 /nfs/dbraw/zinc/38/08/01/972380801.db2.gz FNNAHMWTTIVRJC-AGIUHOORSA-N 1 2 222.332 2.724 20 0 BFADLO C[C@@H](OCCn1cc[nH+]c1)c1ccccc1F ZINC001222135177 972381427 /nfs/dbraw/zinc/38/14/27/972381427.db2.gz XEEJJFHAOXVCBH-LLVKDONJSA-N 1 2 234.274 2.800 20 0 BFADLO Cc1cccc([C@H](C)OCCn2cc[nH+]c2)c1 ZINC001222138232 972382784 /nfs/dbraw/zinc/38/27/84/972382784.db2.gz BVBLVXMLLPGANQ-ZDUSSCGKSA-N 1 2 230.311 2.969 20 0 BFADLO CCC1CCC(OCCn2cc[nH+]c2)CC1 ZINC001222139740 972386613 /nfs/dbraw/zinc/38/66/13/972386613.db2.gz VVGXUHFCXMJHHT-UHFFFAOYSA-N 1 2 222.332 2.869 20 0 BFADLO C[C@@H]1CCC[C@H](C)[C@H]1OCCn1cc[nH+]c1 ZINC001222138472 972387703 /nfs/dbraw/zinc/38/77/03/972387703.db2.gz FKJZXWPRURDUFR-ITGUQSILSA-N 1 2 222.332 2.724 20 0 BFADLO COc1c(C)cccc1NCc1cc[nH+]c(N)c1 ZINC001167616236 959076541 /nfs/dbraw/zinc/07/65/41/959076541.db2.gz AUBMSSCKZWRZEA-UHFFFAOYSA-N 1 2 243.310 2.593 20 0 BFADLO C[C@H]1CCCN(c2cc(N)cc(Cl)[nH+]2)[C@H]1C ZINC000300349216 959363266 /nfs/dbraw/zinc/36/32/66/959363266.db2.gz ANTBURXYLDAMNO-IUCAKERBSA-N 1 2 239.750 2.942 20 0 BFADLO Fc1ccc(CC[NH2+]C2(C(F)F)CC2)cc1 ZINC001352055518 959791289 /nfs/dbraw/zinc/79/12/89/959791289.db2.gz ULLIXNHDPMVCFM-UHFFFAOYSA-N 1 2 229.245 2.756 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)C1(Cl)CC1 ZINC000695687412 960372979 /nfs/dbraw/zinc/37/29/79/960372979.db2.gz YGDSTZWCEGNONB-JGVFFNPUSA-N 1 2 223.694 2.924 20 0 BFADLO Cc1nc(N[C@@H]2CCCC3(CC3)C2)cc[nH+]1 ZINC000695696751 960378190 /nfs/dbraw/zinc/37/81/90/960378190.db2.gz IESKXFZXDBBHDT-LLVKDONJSA-N 1 2 217.316 2.920 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001140777025 960564666 /nfs/dbraw/zinc/56/46/66/960564666.db2.gz GZUIVHKKNGMITR-NSHDSACASA-N 1 2 235.302 2.688 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001140777025 960564678 /nfs/dbraw/zinc/56/46/78/960564678.db2.gz GZUIVHKKNGMITR-NSHDSACASA-N 1 2 235.302 2.688 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001140782050 960567505 /nfs/dbraw/zinc/56/75/05/960567505.db2.gz CGTZALYQUGCJCH-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001140782050 960567525 /nfs/dbraw/zinc/56/75/25/960567525.db2.gz CGTZALYQUGCJCH-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890142 960670269 /nfs/dbraw/zinc/67/02/69/960670269.db2.gz WYHDPGXWRBJHDU-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2F)C1 ZINC001140890142 960670274 /nfs/dbraw/zinc/67/02/74/960670274.db2.gz WYHDPGXWRBJHDU-VIFPVBQESA-N 1 2 241.281 2.902 20 0 BFADLO CCCC[C@H](CC)OCc1c[nH+]cn1C ZINC001222595049 960722005 /nfs/dbraw/zinc/72/20/05/960722005.db2.gz MNUMDKVLJLBVHT-LBPRGKRZSA-N 1 2 210.321 2.906 20 0 BFADLO Oc1c(F)cc(C[NH+]2CC3(CCC3)C2)cc1F ZINC001140988173 960779194 /nfs/dbraw/zinc/77/91/94/960779194.db2.gz QMQGHFNDEONXFV-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO CCCC1CC[NH+](Cc2csnn2)CC1 ZINC001140995659 960791775 /nfs/dbraw/zinc/79/17/75/960791775.db2.gz COULGAYVKVEULK-UHFFFAOYSA-N 1 2 225.361 2.550 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2ncco2)cc1 ZINC001141010718 960812347 /nfs/dbraw/zinc/81/23/47/960812347.db2.gz GAQSBTQHFYRFGC-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2ncco2)cc1 ZINC001141010718 960812348 /nfs/dbraw/zinc/81/23/48/960812348.db2.gz GAQSBTQHFYRFGC-UHFFFAOYSA-N 1 2 230.311 2.869 20 0 BFADLO c1coc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC001141011324 960816770 /nfs/dbraw/zinc/81/67/70/960816770.db2.gz XXMYHRBAYJRRJP-LBPRGKRZSA-N 1 2 214.268 2.622 20 0 BFADLO c1coc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC001141011324 960816777 /nfs/dbraw/zinc/81/67/77/960816777.db2.gz XXMYHRBAYJRRJP-LBPRGKRZSA-N 1 2 214.268 2.622 20 0 BFADLO FC1(F)CC2(C1)CC[NH+](Cc1cocn1)CC2 ZINC001141126184 960870371 /nfs/dbraw/zinc/87/03/71/960870371.db2.gz CWLCXPAKBCDHGV-UHFFFAOYSA-N 1 2 242.269 2.686 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1cnc(C)nc1)C2 ZINC001203102610 960944135 /nfs/dbraw/zinc/94/41/35/960944135.db2.gz HUGMKDHOURFLLJ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1cnc(C)nc1)C2 ZINC001203102610 960944192 /nfs/dbraw/zinc/94/41/92/960944192.db2.gz HUGMKDHOURFLLJ-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cc(NC2(CO)CCCC2)ccc1[NH+](C)C ZINC001167806331 961079653 /nfs/dbraw/zinc/07/96/53/961079653.db2.gz METLEBYBXAGKQM-UHFFFAOYSA-N 1 2 248.370 2.778 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccco2)C2CC2)cn1 ZINC001203117022 961230600 /nfs/dbraw/zinc/23/06/00/961230600.db2.gz YOTKIMXEFLNHGX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccco2)C2CC2)cn1 ZINC001203117022 961230627 /nfs/dbraw/zinc/23/06/27/961230627.db2.gz YOTKIMXEFLNHGX-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO CC(C)(C)c1nc[nH]c1C[N@@H+]1CCC[C@@H](F)C1 ZINC001142226726 961352923 /nfs/dbraw/zinc/35/29/23/961352923.db2.gz OCUXYQQHTGZKAF-SNVBAGLBSA-N 1 2 239.338 2.641 20 0 BFADLO CCCOCCNc1[nH+]cccc1-n1cccc1 ZINC001167872467 961380888 /nfs/dbraw/zinc/38/08/88/961380888.db2.gz LFPVEGJRZJQQJD-UHFFFAOYSA-N 1 2 245.326 2.711 20 0 BFADLO FC(F)(F)C(F)(F)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894618 961511042 /nfs/dbraw/zinc/51/10/42/961511042.db2.gz PWFFQLOVMMNXFF-ZMONIFLSSA-N 1 2 229.192 2.572 20 0 BFADLO CCN(CC)c1ccc(N[C@H]2CO[C@@H](C)C2)c[nH+]1 ZINC000401947057 961688238 /nfs/dbraw/zinc/68/82/38/961688238.db2.gz JREPYYATUQTSKE-WCQYABFASA-N 1 2 249.358 2.517 20 0 BFADLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3CF)cn21 ZINC000292976501 961885118 /nfs/dbraw/zinc/88/51/18/961885118.db2.gz GYQOOEJEYJJEQT-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2nc(C[N@H+]3CCC[C@@H]3CF)cn21 ZINC000292976501 961885120 /nfs/dbraw/zinc/88/51/20/961885120.db2.gz GYQOOEJEYJJEQT-CYBMUJFWSA-N 1 2 247.317 2.577 20 0 BFADLO FC(F)c1ccc(C[NH+]2CC3(CCO3)C2)cc1 ZINC001143252238 961970777 /nfs/dbraw/zinc/97/07/77/961970777.db2.gz WNLKTVAFTYRRQP-UHFFFAOYSA-N 1 2 239.265 2.599 20 0 BFADLO C[NH+]1CC(Oc2cccc3ccccc32)C1 ZINC001225267718 961974551 /nfs/dbraw/zinc/97/45/51/961974551.db2.gz REJLXPFGWOZURY-UHFFFAOYSA-N 1 2 213.280 2.533 20 0 BFADLO CCOc1ccc(C[NH+]2CC(C)C2)c(F)c1F ZINC001143270141 961988024 /nfs/dbraw/zinc/98/80/24/961988024.db2.gz XMVWFXYFBHYTQP-UHFFFAOYSA-N 1 2 241.281 2.815 20 0 BFADLO CCOc1cc[nH+]cc1Nc1cc(N)ccc1F ZINC001211822132 962016331 /nfs/dbraw/zinc/01/63/31/962016331.db2.gz VPBJSOHVCGYNLE-UHFFFAOYSA-N 1 2 247.273 2.945 20 0 BFADLO Cc1cc(C)cc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1 ZINC000045875443 962076240 /nfs/dbraw/zinc/07/62/40/962076240.db2.gz CAKADBFBZSAAQA-GFCCVEGCSA-N 1 2 243.310 2.700 20 0 BFADLO Fc1ncccc1Nc1ccn2cc[nH+]c2c1 ZINC001204950638 962150583 /nfs/dbraw/zinc/15/05/83/962150583.db2.gz CGHGZKIFWBBIBK-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO CCCN(CCC)c1ccc(Cl)c(N)[nH+]1 ZINC001155188926 963016065 /nfs/dbraw/zinc/01/60/65/963016065.db2.gz AGJUBKHOGKJSLG-UHFFFAOYSA-N 1 2 227.739 2.944 20 0 BFADLO C[C@@H]1CN(c2cccc(C3CC3)[nH+]2)[C@H](C)CO1 ZINC001155431422 963075839 /nfs/dbraw/zinc/07/58/39/963075839.db2.gz JTKDCIFPUNWFEC-GHMZBOCLSA-N 1 2 232.327 2.573 20 0 BFADLO CCc1cccc(CC)c1OC1C[NH+](C)C1 ZINC001226175682 963094583 /nfs/dbraw/zinc/09/45/83/963094583.db2.gz CYSMNXNBAYUTLV-UHFFFAOYSA-N 1 2 219.328 2.504 20 0 BFADLO CC1(C)C[NH+](Cc2cccc(Cl)n2)C1 ZINC000306553535 963115770 /nfs/dbraw/zinc/11/57/70/963115770.db2.gz BJBFDRBBFJKVTH-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO Cc1c(F)cc[nH+]c1NCc1ccccc1N ZINC001155984286 963227234 /nfs/dbraw/zinc/22/72/34/963227234.db2.gz LIVCXBYJFUOTFI-UHFFFAOYSA-N 1 2 231.274 2.723 20 0 BFADLO Cc1c(F)cc[nH+]c1N1C[C@@H](C)CC12CC2 ZINC001156418603 963340889 /nfs/dbraw/zinc/34/08/89/963340889.db2.gz FCSOQCYPTPJFHN-VIFPVBQESA-N 1 2 220.291 2.908 20 0 BFADLO CSc1cc[nH+]c(N2Cc3ncsc3C2)c1 ZINC001156840339 963471694 /nfs/dbraw/zinc/47/16/94/963471694.db2.gz VOOWUFULBIPZEY-UHFFFAOYSA-N 1 2 249.364 2.780 20 0 BFADLO Cc1cc(N2CC3CC(C3)C2)nc(C(C)C)[nH+]1 ZINC001156902226 963488486 /nfs/dbraw/zinc/48/84/86/963488486.db2.gz FOVHCRQXDGDLEW-UHFFFAOYSA-N 1 2 231.343 2.755 20 0 BFADLO CCCNc1[nH+]cc(C)cc1C(OC)OC ZINC001157361553 963584706 /nfs/dbraw/zinc/58/47/06/963584706.db2.gz MNXHBVQWVSADQE-UHFFFAOYSA-N 1 2 224.304 2.503 20 0 BFADLO CSc1cc[nH+]c(NC[C@H]2C[C@H](F)C2)c1 ZINC001157457486 963617031 /nfs/dbraw/zinc/61/70/31/963617031.db2.gz GXNDBCCOROAULQ-KYZUINATSA-N 1 2 226.320 2.964 20 0 BFADLO CCC1(CNc2cc(SC)cc[nH+]2)COC1 ZINC001157546716 963656445 /nfs/dbraw/zinc/65/64/45/963656445.db2.gz REYKRXCTXXZTBT-UHFFFAOYSA-N 1 2 238.356 2.642 20 0 BFADLO Cc1nc(NC[C@H]2CC(C)(C)O2)cc(C(C)C)[nH+]1 ZINC001157655617 963693155 /nfs/dbraw/zinc/69/31/55/963693155.db2.gz WVYUFHZNOHJFAL-LLVKDONJSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1cc(NC[C@H]2CC(C)(C)O2)nc(C(C)C)[nH+]1 ZINC001157659766 963693335 /nfs/dbraw/zinc/69/33/35/963693335.db2.gz FLMPRFXUVSIBHU-LLVKDONJSA-N 1 2 249.358 2.888 20 0 BFADLO Cc1c(F)cc[nH+]c1NCCc1cncs1 ZINC001158882701 963951647 /nfs/dbraw/zinc/95/16/47/963951647.db2.gz ISEGAZSEZQSDFX-UHFFFAOYSA-N 1 2 237.303 2.640 20 0 BFADLO CO[C@@H]1CCN(c2[nH+]ccc(F)c2C)[C@H](C)C1 ZINC001158897186 963953627 /nfs/dbraw/zinc/95/36/27/963953627.db2.gz UDGFAPNZBPDSPB-MWLCHTKSSA-N 1 2 238.306 2.533 20 0 BFADLO Cn1c[nH+]c2ccc(NC[C@H]3C[C@H](F)C3)cc21 ZINC001168237720 964024142 /nfs/dbraw/zinc/02/41/42/964024142.db2.gz MASIMVAWHJFQQS-MGCOHNPYSA-N 1 2 233.290 2.733 20 0 BFADLO CCC=CNc1nc(N(C)CC)cc(C)[nH+]1 ZINC001159662520 964137967 /nfs/dbraw/zinc/13/79/67/964137967.db2.gz RSGLDMRTRIRDDC-BQYQJAHWSA-N 1 2 220.320 2.577 20 0 BFADLO CCc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)o1 ZINC001204389106 964224926 /nfs/dbraw/zinc/22/49/26/964224926.db2.gz JSIPIEBFEKGSAZ-LLVKDONJSA-N 1 2 235.327 2.643 20 0 BFADLO CCc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)o1 ZINC001204389106 964224934 /nfs/dbraw/zinc/22/49/34/964224934.db2.gz JSIPIEBFEKGSAZ-LLVKDONJSA-N 1 2 235.327 2.643 20 0 BFADLO OCc1ccc(Nc2cccc3[nH+]c[nH]c32)cc1 ZINC001213031579 964562454 /nfs/dbraw/zinc/56/24/54/964562454.db2.gz HLNGHXYVAUUOOF-UHFFFAOYSA-N 1 2 239.278 2.799 20 0 BFADLO CN(c1cccc2[nH+]c[nH]c21)c1ccccc1N ZINC001213031572 964563404 /nfs/dbraw/zinc/56/34/04/964563404.db2.gz GXCQKNANHBWIJA-UHFFFAOYSA-N 1 2 238.294 2.913 20 0 BFADLO Cc1cc(NCc2c[nH+]cn2C(C)C)ncc1F ZINC001161563143 964640417 /nfs/dbraw/zinc/64/04/17/964640417.db2.gz PKLKCALBWFWGCR-UHFFFAOYSA-N 1 2 248.305 2.919 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1cscn1 ZINC000697892695 964651562 /nfs/dbraw/zinc/65/15/62/964651562.db2.gz OYUJXAGELBLBCN-GXSJLCMTSA-N 1 2 245.351 2.876 20 0 BFADLO c1cn(CCCNc2ccc3cnoc3c2)c[nH+]1 ZINC001161684930 964683387 /nfs/dbraw/zinc/68/33/87/964683387.db2.gz YACASJLEJWLQLH-UHFFFAOYSA-N 1 2 242.282 2.527 20 0 BFADLO FCc1ccc(NCCCn2cc[nH+]c2)cc1 ZINC001161684743 964684867 /nfs/dbraw/zinc/68/48/67/964684867.db2.gz MXDPUOGEVGJIOZ-UHFFFAOYSA-N 1 2 233.290 2.855 20 0 BFADLO c1cn(CCCNc2cccc3c2CC=C3)c[nH+]1 ZINC001161687768 964687372 /nfs/dbraw/zinc/68/73/72/964687372.db2.gz CINDUKBPHCEGDX-UHFFFAOYSA-N 1 2 239.322 2.955 20 0 BFADLO FC(F)(F)CCNc1ccc2c([nH+]1)CCOC2 ZINC001161823478 964775150 /nfs/dbraw/zinc/77/51/50/964775150.db2.gz WRBKQGKARNIDFU-UHFFFAOYSA-N 1 2 246.232 2.519 20 0 BFADLO CCc1coc(CNc2c(C)cc[nH+]c2C)n1 ZINC001162140018 964853103 /nfs/dbraw/zinc/85/31/03/964853103.db2.gz HDOFJDODOPGCKX-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO CC[C@@H](C)COC1C[NH+](Cc2ccccc2)C1 ZINC001224663677 964853625 /nfs/dbraw/zinc/85/36/25/964853625.db2.gz LSTXEKLYSLIIBJ-CYBMUJFWSA-N 1 2 233.355 2.934 20 0 BFADLO Cc1cc2cc(NCc3cnoc3C)[nH+]cc2[nH]1 ZINC001162269464 964897888 /nfs/dbraw/zinc/89/78/88/964897888.db2.gz NDCUWMOOHQJPNP-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO Cc1oncc1CNc1ccc([NH+](C)C)c(C)c1 ZINC001162275069 964899269 /nfs/dbraw/zinc/89/92/69/964899269.db2.gz WHPYGIFQNVCSSA-UHFFFAOYSA-N 1 2 245.326 2.970 20 0 BFADLO Cc1ncc(Nc2cccn3cc[nH+]c23)s1 ZINC001212128656 964904109 /nfs/dbraw/zinc/90/41/09/964904109.db2.gz WDNSETSCUFLISS-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@H]1C[C@]12CCCOC2 ZINC001162376579 964948847 /nfs/dbraw/zinc/94/88/47/964948847.db2.gz PBVFTYBZNGOYFY-AAEUAGOBSA-N 1 2 236.290 2.510 20 0 BFADLO COc1cc[nH+]cc1NC(C)(C)C1CC1 ZINC001162518434 965015325 /nfs/dbraw/zinc/01/53/25/965015325.db2.gz SCZKBEIWYVOVLI-UHFFFAOYSA-N 1 2 206.289 2.691 20 0 BFADLO CN(C)c1ccc(NC(C)(C)C2CC2)[nH+]c1 ZINC001162521976 965019212 /nfs/dbraw/zinc/01/92/12/965019212.db2.gz FNWBACISLNVFAW-UHFFFAOYSA-N 1 2 219.332 2.748 20 0 BFADLO Cc1cc2[nH]c(CC3CC3)[nH+]c2cc1F ZINC000587959882 965087603 /nfs/dbraw/zinc/08/76/03/965087603.db2.gz ROBLLAZXFDONTO-UHFFFAOYSA-N 1 2 204.248 2.963 20 0 BFADLO CC[C@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCO3 ZINC000587955434 965088544 /nfs/dbraw/zinc/08/85/44/965088544.db2.gz JBXSVYUZMNIHII-ZETCQYMHSA-N 1 2 218.256 2.805 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cc2c(nn1)CCCC2 ZINC001162662002 965099547 /nfs/dbraw/zinc/09/95/47/965099547.db2.gz MCJVJLAYDLFRFD-UHFFFAOYSA-N 1 2 232.331 2.791 20 0 BFADLO Cn1cccc1CNc1ccc2[nH+]cn(C)c2c1 ZINC001162709361 965134614 /nfs/dbraw/zinc/13/46/14/965134614.db2.gz FQTUBUBFIOIUCL-UHFFFAOYSA-N 1 2 240.310 2.524 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@H]1C=CCC1 ZINC000698252078 965144002 /nfs/dbraw/zinc/14/40/02/965144002.db2.gz XOYKVWZWQGFMBC-JTQLQIEISA-N 1 2 213.284 2.704 20 0 BFADLO Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC1(F)F)C2 ZINC001168397165 965156770 /nfs/dbraw/zinc/15/67/70/965156770.db2.gz MIAMDVSOEDYKQQ-RYUDHWBXSA-N 1 2 241.256 2.680 20 0 BFADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c[nH]1 ZINC001232458878 965357904 /nfs/dbraw/zinc/35/79/04/965357904.db2.gz UUINEVLFRYEWNU-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c[nH]1 ZINC001232458878 965357907 /nfs/dbraw/zinc/35/79/07/965357907.db2.gz UUINEVLFRYEWNU-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)[nH]1 ZINC001232458878 965357911 /nfs/dbraw/zinc/35/79/11/965357911.db2.gz UUINEVLFRYEWNU-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)[nH]1 ZINC001232458878 965357918 /nfs/dbraw/zinc/35/79/18/965357918.db2.gz UUINEVLFRYEWNU-NSHDSACASA-N 1 2 241.338 2.837 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1ncc[nH]1 ZINC000139021051 965400408 /nfs/dbraw/zinc/40/04/08/965400408.db2.gz RXNWPPLTTBIYGG-ZYHUDNBSSA-N 1 2 242.326 2.533 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@@H](C)[C@@H]1CCCO1 ZINC001163478825 965413191 /nfs/dbraw/zinc/41/31/91/965413191.db2.gz HVHGSZXYZPQBMN-ONGXEEELSA-N 1 2 224.279 2.509 20 0 BFADLO CSCc1cc[nH+]c(N2CC(C)(C)C2)c1 ZINC001163729929 965544510 /nfs/dbraw/zinc/54/45/10/965544510.db2.gz GVULSSYWJLVINI-UHFFFAOYSA-N 1 2 222.357 2.791 20 0 BFADLO COc1ccc2cc[nH+]c(N3CC=CC3)c2c1 ZINC001163919401 965631053 /nfs/dbraw/zinc/63/10/53/965631053.db2.gz ZWSUCKJEWUMNHE-UHFFFAOYSA-N 1 2 226.279 2.620 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)CCCO1 ZINC001163966106 965666095 /nfs/dbraw/zinc/66/60/95/965666095.db2.gz MMTXOPUVTLOPDO-NSHDSACASA-N 1 2 232.327 2.574 20 0 BFADLO CC(C)c1ccc(N2Cc3cncnc3C2)[nH+]c1 ZINC001163984105 965678347 /nfs/dbraw/zinc/67/83/47/965678347.db2.gz NGFBKRRKQHTSDJ-UHFFFAOYSA-N 1 2 240.310 2.515 20 0 BFADLO OC12C[C@@H]3C[C@H](C1)CC(Nc1cccc[nH+]1)(C3)C2 ZINC001164106233 965735851 /nfs/dbraw/zinc/73/58/51/965735851.db2.gz PHVLQQCIEWKAFC-AVJIGQEQSA-N 1 2 244.338 2.577 20 0 BFADLO COC(C)(C)CNc1cc(CSC)cc[nH+]1 ZINC000094169252 965736960 /nfs/dbraw/zinc/73/69/60/965736960.db2.gz BHBLGUMHLMPRHR-UHFFFAOYSA-N 1 2 240.372 2.782 20 0 BFADLO CC1(C)C[C@@H](CNc2cc3cc[nH]c3c[nH+]2)O1 ZINC001168450532 965741274 /nfs/dbraw/zinc/74/12/74/965741274.db2.gz PQACRDTUDVWELY-JTQLQIEISA-N 1 2 231.299 2.542 20 0 BFADLO Cc1cc(NC[C@H]2CC(C)(C)O2)c[nH+]c1C ZINC001168456728 965765771 /nfs/dbraw/zinc/76/57/71/965765771.db2.gz QMZSJFWTTBWMJI-GFCCVEGCSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1c(F)cc[nH+]c1N1CC[C@@](C)(F)[C@@H](F)C1 ZINC001164334494 965848858 /nfs/dbraw/zinc/84/88/58/965848858.db2.gz SWARMLUUXDLWOX-CMPLNLGQSA-N 1 2 244.260 2.806 20 0 BFADLO CCSc1cc[nH+]c(N2CC(C)(F)C2)c1 ZINC001164591853 965934862 /nfs/dbraw/zinc/93/48/62/965934862.db2.gz RGTHYAILTMBNNO-UHFFFAOYSA-N 1 2 226.320 2.742 20 0 BFADLO Cn1c[nH+]c2ccc(NC[C@@H]3CCCCO3)cc21 ZINC001165230343 965996017 /nfs/dbraw/zinc/99/60/17/965996017.db2.gz VRBDIODCFHVXLQ-LBPRGKRZSA-N 1 2 245.326 2.554 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CC[C@]3(CCOC3)C2)c1 ZINC001165255364 966011797 /nfs/dbraw/zinc/01/17/97/966011797.db2.gz MYEFUJFXOUOJIG-HNNXBMFYSA-N 1 2 244.338 2.576 20 0 BFADLO F[C@@H]1CN(c2cccc(C3CC3)[nH+]2)C[C@@H]2C[C@@H]21 ZINC001165366311 966065087 /nfs/dbraw/zinc/06/50/87/966065087.db2.gz LFCWESFNLGUEDG-SDDRHHMPSA-N 1 2 232.302 2.753 20 0 BFADLO Cc1ccnc(C[NH+]2CC(C)(C)C2)c1Cl ZINC001235574691 966088167 /nfs/dbraw/zinc/08/81/67/966088167.db2.gz AABLCLDYRAUGML-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO CC(C)c1ccc(N2CCCC(=O)CC2)[nH+]c1 ZINC001165466773 966101939 /nfs/dbraw/zinc/10/19/39/966101939.db2.gz XKYBUEWOYHILTN-UHFFFAOYSA-N 1 2 232.327 2.764 20 0 BFADLO CC(C)(C)c1ccc(N2CCCC(=O)CC2)[nH+]c1 ZINC001165465505 966102388 /nfs/dbraw/zinc/10/23/88/966102388.db2.gz NSUHWFNTNSKGEL-UHFFFAOYSA-N 1 2 246.354 2.939 20 0 BFADLO CNc1ccc(Nc2cc(OC)ncc2C)c[nH+]1 ZINC001203454443 966223728 /nfs/dbraw/zinc/22/37/28/966223728.db2.gz DSLDTURQORICHH-UHFFFAOYSA-N 1 2 244.298 2.579 20 0 BFADLO COCC(C)(C)Nc1cc(C)c2[nH]ccc2[nH+]1 ZINC001166049407 966232790 /nfs/dbraw/zinc/23/27/90/966232790.db2.gz AZHGFYMWZBLBPA-UHFFFAOYSA-N 1 2 233.315 2.708 20 0 BFADLO c1cc2n(c1)CCN(c1cccc(C3CC3)[nH+]1)C2 ZINC001166604837 966322310 /nfs/dbraw/zinc/32/23/10/966322310.db2.gz QZADJGGFGAYZIM-UHFFFAOYSA-N 1 2 239.322 2.781 20 0 BFADLO C[C@@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)[C@H]1C ZINC001166614394 966331451 /nfs/dbraw/zinc/33/14/51/966331451.db2.gz LFNSHCFSAQSXHG-BDAKNGLRSA-N 1 2 239.750 2.942 20 0 BFADLO CCOCc1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236316648 966364992 /nfs/dbraw/zinc/36/49/92/966364992.db2.gz ONOOPPOYCSXYHF-UHFFFAOYSA-N 1 2 228.295 2.867 20 0 BFADLO CCc1cn(CCOc2ccccc2C)c[nH+]1 ZINC001166821700 966421209 /nfs/dbraw/zinc/42/12/09/966421209.db2.gz FDVSTAOSHRKDPB-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO CCc1cn(Cc2ncc(C(C)C)o2)c[nH+]1 ZINC001166822797 966426190 /nfs/dbraw/zinc/42/61/90/966426190.db2.gz NRKKZTRJJVBUEB-UHFFFAOYSA-N 1 2 219.288 2.605 20 0 BFADLO CCCC[N@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC001203205690 966545391 /nfs/dbraw/zinc/54/53/91/966545391.db2.gz JSHNJFURHUUQQE-UHFFFAOYSA-N 1 2 244.342 2.607 20 0 BFADLO CCCC[N@@H+](Cc1cnn[nH]1)Cc1ccccc1 ZINC001203205690 966545401 /nfs/dbraw/zinc/54/54/01/966545401.db2.gz JSHNJFURHUUQQE-UHFFFAOYSA-N 1 2 244.342 2.607 20 0 BFADLO CCCC[N@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC001203205690 966545406 /nfs/dbraw/zinc/54/54/06/966545406.db2.gz JSHNJFURHUUQQE-UHFFFAOYSA-N 1 2 244.342 2.607 20 0 BFADLO CCCC[N@@H+](Cc1c[nH]nn1)Cc1ccccc1 ZINC001203205690 966545419 /nfs/dbraw/zinc/54/54/19/966545419.db2.gz JSHNJFURHUUQQE-UHFFFAOYSA-N 1 2 244.342 2.607 20 0 BFADLO CC(C)(O)C=CNc1cccc(-n2cc[nH+]c2)c1 ZINC001203217199 966563628 /nfs/dbraw/zinc/56/36/28/966563628.db2.gz JPHBMBYNIJQVPA-VOTSOKGWSA-N 1 2 243.310 2.569 20 0 BFADLO COc1cncc(NCc2cc(C)[nH+]c(C)c2)c1 ZINC001203340788 966606432 /nfs/dbraw/zinc/60/64/32/966606432.db2.gz YVSQYPJPHBPDFZ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ncc(Nc2ccc(C)[nH+]c2C)c(C)n1 ZINC001203370489 966621572 /nfs/dbraw/zinc/62/15/72/966621572.db2.gz MIYIRVIGNKRIES-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CNc1ccc(Nc2ccnc(Cl)c2)c[nH+]1 ZINC001203448923 966646072 /nfs/dbraw/zinc/64/60/72/966646072.db2.gz RAUFDDGKAWVPPN-UHFFFAOYSA-N 1 2 234.690 2.915 20 0 BFADLO CNc1ccc(Nc2cnccc2C)c[nH+]1 ZINC001203446689 966650006 /nfs/dbraw/zinc/65/00/06/966650006.db2.gz GYKKWIGOYAWDCV-UHFFFAOYSA-N 1 2 214.272 2.570 20 0 BFADLO CNc1ccc(Nc2noc(C(C)(C)C)n2)c[nH+]1 ZINC001203447066 966650981 /nfs/dbraw/zinc/65/09/81/966650981.db2.gz JEHMTQDZKYDVEU-UHFFFAOYSA-N 1 2 247.302 2.547 20 0 BFADLO CNc1ccc(Nc2ccc3c(c2)OCC3)c[nH+]1 ZINC001203460931 966653094 /nfs/dbraw/zinc/65/30/94/966653094.db2.gz ZFMHIVQJHAMSOK-UHFFFAOYSA-N 1 2 241.294 2.802 20 0 BFADLO CNc1ccc(Nc2ccc(O)c(C)c2)c[nH+]1 ZINC001203456261 966653672 /nfs/dbraw/zinc/65/36/72/966653672.db2.gz ARYXFTIKAPUMJI-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO CNc1ccc(Nc2cc(F)nc(F)c2)c[nH+]1 ZINC001203450144 966654250 /nfs/dbraw/zinc/65/42/50/966654250.db2.gz WNAHLUKHAKUXEF-UHFFFAOYSA-N 1 2 236.225 2.540 20 0 BFADLO CNc1ccc(Nc2cc(C)ccc2O)c[nH+]1 ZINC001203458851 966655079 /nfs/dbraw/zinc/65/50/79/966655079.db2.gz ROTDWPOVOSEXMR-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO CNc1ccc(Nc2c(C)ccnc2F)c[nH+]1 ZINC001203450287 966655571 /nfs/dbraw/zinc/65/55/71/966655571.db2.gz ZTKBTBFPEJABES-UHFFFAOYSA-N 1 2 232.262 2.709 20 0 BFADLO CNc1ccc(Nc2c(N)ccc(F)c2C)c[nH+]1 ZINC001203458896 966656148 /nfs/dbraw/zinc/65/61/48/966656148.db2.gz ARVKEDKICACPMU-UHFFFAOYSA-N 1 2 246.289 2.897 20 0 BFADLO CNc1ccc(Nc2c(O)cccc2OC)c[nH+]1 ZINC001203459779 966658296 /nfs/dbraw/zinc/65/82/96/966658296.db2.gz RHESZHJTBGBOPH-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO Cc1cnc(CNc2[nH]c3cc(C)ccc3[nH+]2)o1 ZINC001203478483 966661880 /nfs/dbraw/zinc/66/18/80/966661880.db2.gz BCZQXGMOHIFKPQ-UHFFFAOYSA-N 1 2 242.282 2.780 20 0 BFADLO CNc1ccc(Nc2ccc(C)c(CO)c2)c[nH+]1 ZINC001203462488 966662207 /nfs/dbraw/zinc/66/22/07/966662207.db2.gz USMFJIBEZQZJQW-UHFFFAOYSA-N 1 2 243.310 2.668 20 0 BFADLO Cc1ccc(C)c(Nc2ccc(N)nc2F)[nH+]1 ZINC001203611561 966704748 /nfs/dbraw/zinc/70/47/48/966704748.db2.gz RCOSRJMYTFXFAL-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccc(F)nc2)c1 ZINC001203654913 966722558 /nfs/dbraw/zinc/72/25/58/966722558.db2.gz RYKLSNDFDVHEHP-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO COc1ncc(Nc2cc(C)c[nH+]c2C)cc1F ZINC001203655795 966723276 /nfs/dbraw/zinc/72/32/76/966723276.db2.gz AXQCJAAQHDCSSO-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CCc1cnc(Nc2cc(C)c[nH+]c2C)cn1 ZINC001203656454 966723419 /nfs/dbraw/zinc/72/34/19/966723419.db2.gz UJHOXKCELSVQIL-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cn(CCF)cn2)c1 ZINC001203661113 966729375 /nfs/dbraw/zinc/72/93/75/966729375.db2.gz QOMAVMFZNBVHNM-UHFFFAOYSA-N 1 2 234.278 2.608 20 0 BFADLO C[N@H+](Cc1ccccc1C(F)(F)F)C1COC1 ZINC001203693196 966740353 /nfs/dbraw/zinc/74/03/53/966740353.db2.gz QIYSHUFYLSXKSF-UHFFFAOYSA-N 1 2 245.244 2.536 20 0 BFADLO C[N@@H+](Cc1ccccc1C(F)(F)F)C1COC1 ZINC001203693196 966740361 /nfs/dbraw/zinc/74/03/61/966740361.db2.gz QIYSHUFYLSXKSF-UHFFFAOYSA-N 1 2 245.244 2.536 20 0 BFADLO Fc1cccc(C[N@@H+]2CCc3occc3C2)c1 ZINC001203790206 966778678 /nfs/dbraw/zinc/77/86/78/966778678.db2.gz OTQZVRFIXXERCN-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Fc1cccc(C[N@H+]2CCc3occc3C2)c1 ZINC001203790206 966778692 /nfs/dbraw/zinc/77/86/92/966778692.db2.gz OTQZVRFIXXERCN-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Clc1cccc(C[N@@H+]2CCOC3(CC3)C2)c1 ZINC001203803666 966788589 /nfs/dbraw/zinc/78/85/89/966788589.db2.gz UPRTXABQXZYRQN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO Clc1cccc(C[N@H+]2CCOC3(CC3)C2)c1 ZINC001203803666 966788596 /nfs/dbraw/zinc/78/85/96/966788596.db2.gz UPRTXABQXZYRQN-UHFFFAOYSA-N 1 2 237.730 2.705 20 0 BFADLO F[C@@H]1C[N@H+](Cc2ccncc2)CCCC1(F)F ZINC001204080547 966885321 /nfs/dbraw/zinc/88/53/21/966885321.db2.gz QUXHPRSQQXXPKC-LLVKDONJSA-N 1 2 244.260 2.651 20 0 BFADLO F[C@@H]1C[N@@H+](Cc2ccncc2)CCCC1(F)F ZINC001204080547 966885324 /nfs/dbraw/zinc/88/53/24/966885324.db2.gz QUXHPRSQQXXPKC-LLVKDONJSA-N 1 2 244.260 2.651 20 0 BFADLO COc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001239483405 966900407 /nfs/dbraw/zinc/90/04/07/966900407.db2.gz USDNNISZTKHEFA-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Cc1cccc(-c2nc3c(ccn3C)c[nH+]2)c1 ZINC001239487057 966905736 /nfs/dbraw/zinc/90/57/36/966905736.db2.gz ABNBHZSEQAUIQE-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CCc1ccc(C)[nH+]c1Nc1ccc(CO)nc1 ZINC001212368635 966922387 /nfs/dbraw/zinc/92/23/87/966922387.db2.gz HYUYMBGBPJZDGM-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CSC3)C2)c(F)c1 ZINC001204212304 966926060 /nfs/dbraw/zinc/92/60/60/966926060.db2.gz DVSNCBVHWULKIK-UHFFFAOYSA-N 1 2 241.306 2.514 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001204228079 966932666 /nfs/dbraw/zinc/93/26/66/966932666.db2.gz QROOVZKWODDGGG-PRHODGIISA-N 1 2 229.245 2.897 20 0 BFADLO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cc(F)cc(F)c1 ZINC001204228079 966932671 /nfs/dbraw/zinc/93/26/71/966932671.db2.gz QROOVZKWODDGGG-PRHODGIISA-N 1 2 229.245 2.897 20 0 BFADLO Nc1cn2ccc(-c3ccccc3F)cc2[nH+]1 ZINC001239553461 966985917 /nfs/dbraw/zinc/98/59/17/966985917.db2.gz HNMYCPQLFCVKAH-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cc(C)nn2C)o1 ZINC001204393821 966992424 /nfs/dbraw/zinc/99/24/24/966992424.db2.gz UQLQGVDQGCVGGC-UHFFFAOYSA-N 1 2 247.342 2.516 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cc(C)nn2C)o1 ZINC001204393821 966992430 /nfs/dbraw/zinc/99/24/30/966992430.db2.gz UQLQGVDQGCVGGC-UHFFFAOYSA-N 1 2 247.342 2.516 20 0 BFADLO C[N@H+](Cc1ccc(Cl)s1)C1(C)COC1 ZINC001204442184 966995031 /nfs/dbraw/zinc/99/50/31/966995031.db2.gz KEBKPCPDMQEQOW-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO C[N@@H+](Cc1ccc(Cl)s1)C1(C)COC1 ZINC001204442184 966995040 /nfs/dbraw/zinc/99/50/40/966995040.db2.gz KEBKPCPDMQEQOW-UHFFFAOYSA-N 1 2 231.748 2.622 20 0 BFADLO COC1CCC(Nc2ccn3cc[nH+]c3c2)CC1 ZINC001168614717 967001591 /nfs/dbraw/zinc/00/15/91/967001591.db2.gz PXWDTDWURAHMDD-UHFFFAOYSA-N 1 2 245.326 2.704 20 0 BFADLO Cc1cn2c(cccc2-c2cccnc2)[nH+]1 ZINC001239569476 967002506 /nfs/dbraw/zinc/00/25/06/967002506.db2.gz QRPUAFFVHQRNQC-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO Cc1[nH+]c[nH]c1CN1CCCC[C@@H]1C(F)(F)F ZINC001204589833 967079698 /nfs/dbraw/zinc/07/96/98/967079698.db2.gz ZMPPJUPBYKFNBY-SNVBAGLBSA-N 1 2 247.264 2.635 20 0 BFADLO Cc1[nH+]c[nH]c1CN1CCC[C@@H]1c1nccs1 ZINC001204589461 967085076 /nfs/dbraw/zinc/08/50/76/967085076.db2.gz GRGOHDVMJCNQTH-LLVKDONJSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1cccc(Cc2c[nH+]c(C)c(N)c2)c1 ZINC001249871349 967113387 /nfs/dbraw/zinc/11/33/87/967113387.db2.gz PAKUACKVTNYCRB-UHFFFAOYSA-N 1 2 212.296 2.871 20 0 BFADLO CCCc1cc(F)ccc1C[NH+]1CCOCC1 ZINC001249969204 967209920 /nfs/dbraw/zinc/20/99/20/967209920.db2.gz YWYQAVDJBYDUGC-UHFFFAOYSA-N 1 2 237.318 2.610 20 0 BFADLO Cc1noc(Nc2ccn3cc[nH+]c3c2)c1C ZINC001204943354 967246866 /nfs/dbraw/zinc/24/68/66/967246866.db2.gz IPBRVSYBKMMKDC-UHFFFAOYSA-N 1 2 228.255 2.683 20 0 BFADLO Clc1ncncc1Nc1ccn2cc[nH+]c2c1 ZINC001204951219 967250348 /nfs/dbraw/zinc/25/03/48/967250348.db2.gz PCXDREGMKJRMOA-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO Fc1cccnc1Nc1ccn2cc[nH+]c2c1 ZINC001204951616 967250597 /nfs/dbraw/zinc/25/05/97/967250597.db2.gz WDEBFYAKBPBZGG-UHFFFAOYSA-N 1 2 228.230 2.612 20 0 BFADLO COc1cncc(-c2ccc3[nH+]c(C)cn3c2)c1 ZINC001239931112 967258349 /nfs/dbraw/zinc/25/83/49/967258349.db2.gz XGEJZEDEUZYBHS-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO Clc1nnccc1Nc1ccn2cc[nH+]c2c1 ZINC001204959840 967260233 /nfs/dbraw/zinc/26/02/33/967260233.db2.gz WXYHFEUBYMELMY-UHFFFAOYSA-N 1 2 245.673 2.521 20 0 BFADLO CNc1ccc(Nc2cc(C(C)C)no2)c[nH+]1 ZINC001203447208 967265673 /nfs/dbraw/zinc/26/56/73/967265673.db2.gz KDMJUHGBKZKZMC-UHFFFAOYSA-N 1 2 232.287 2.978 20 0 BFADLO Fc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)n1 ZINC001204966457 967266584 /nfs/dbraw/zinc/26/65/84/967266584.db2.gz SZKKKVOPCBVABH-UHFFFAOYSA-N 1 2 246.220 2.751 20 0 BFADLO Nc1cc(CCC(=O)c2ccc(F)cc2)cc[nH+]1 ZINC001250028074 967279646 /nfs/dbraw/zinc/27/96/46/967279646.db2.gz LCVFKHYFZWDIBY-UHFFFAOYSA-N 1 2 244.269 2.618 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(=O)CC2)cc1F ZINC001205214861 967428867 /nfs/dbraw/zinc/42/88/67/967428867.db2.gz DMQKUJXMAHFZMZ-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(=O)CC2)cc1F ZINC001205214861 967428873 /nfs/dbraw/zinc/42/88/73/967428873.db2.gz DMQKUJXMAHFZMZ-UHFFFAOYSA-N 1 2 235.302 2.689 20 0 BFADLO CCc1cc(Nc2[nH+]cccc2N)ccc1OC ZINC001250175811 967479294 /nfs/dbraw/zinc/47/92/94/967479294.db2.gz WFWUAGLBEZHWOC-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO Clc1cscc1C[NH2+]Cc1ccno1 ZINC001205305288 967500770 /nfs/dbraw/zinc/50/07/70/967500770.db2.gz HETAUNDEHYLQTG-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO Cc1nc(N[C@@H](C)CCCC(C)(C)O)cc[nH+]1 ZINC001168712131 967599870 /nfs/dbraw/zinc/59/98/70/967599870.db2.gz NLSIZHNPFKFNEQ-JTQLQIEISA-N 1 2 237.347 2.527 20 0 BFADLO c1cn(CCc2cncc3ccccc32)c[nH+]1 ZINC001250315449 967678767 /nfs/dbraw/zinc/67/87/67/967678767.db2.gz MAMKXAVPJZBENK-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO Cn1ccc2cc(CCn3cc[nH+]c3)ccc21 ZINC001250315441 967680018 /nfs/dbraw/zinc/68/00/18/967680018.db2.gz LXMXQFSZEOPEHU-UHFFFAOYSA-N 1 2 225.295 2.618 20 0 BFADLO CCOc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250318333 967687903 /nfs/dbraw/zinc/68/79/03/967687903.db2.gz CLEZIRTXOPHCDZ-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO CCOc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250316618 967691608 /nfs/dbraw/zinc/69/16/08/967691608.db2.gz PAUCCSDDKOKFQR-UHFFFAOYSA-N 1 2 234.274 2.664 20 0 BFADLO COc1ccc(Cl)cc1CCn1cc[nH+]c1 ZINC001250320501 967696576 /nfs/dbraw/zinc/69/65/76/967696576.db2.gz MWZXASBAZNBQHT-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO Fc1ccc2cc(CCn3cc[nH+]c3)[nH]c2c1 ZINC001250320528 967697290 /nfs/dbraw/zinc/69/72/90/967697290.db2.gz NYXIBVFLZCZMCO-UHFFFAOYSA-N 1 2 229.258 2.746 20 0 BFADLO Oc1ccc(F)c(CCn2cc[nH+]c2)c1Cl ZINC001250320986 967698957 /nfs/dbraw/zinc/69/89/57/967698957.db2.gz UXOIWDOZAWGQNP-UHFFFAOYSA-N 1 2 240.665 2.624 20 0 BFADLO CCOc1ccc(C)c(CCn2cc[nH+]c2)c1 ZINC001250320848 967699891 /nfs/dbraw/zinc/69/98/91/967699891.db2.gz QVCIRBNKPJZNHB-UHFFFAOYSA-N 1 2 230.311 2.833 20 0 BFADLO COc1c(C)ccc(F)c1CCn1cc[nH+]c1 ZINC001250320836 967700562 /nfs/dbraw/zinc/70/05/62/967700562.db2.gz QLJCMLGVIFKHPL-UHFFFAOYSA-N 1 2 234.274 2.582 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(NC2CC(F)C2)c1 ZINC001162213510 967742228 /nfs/dbraw/zinc/74/22/28/967742228.db2.gz DFJJMTVKKNPYQX-UHFFFAOYSA-N 1 2 245.301 3.000 20 0 BFADLO Cc1ccc(F)c(C[N@@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001205655105 967743579 /nfs/dbraw/zinc/74/35/79/967743579.db2.gz JIAKOWOMZOYYDY-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO Cc1ccc(F)c(C[N@H+]2CCC(=O)C(C)(C)C2)c1 ZINC001205655105 967743590 /nfs/dbraw/zinc/74/35/90/967743590.db2.gz JIAKOWOMZOYYDY-UHFFFAOYSA-N 1 2 249.329 2.935 20 0 BFADLO COc1c[nH+]c(NCC(C)(F)F)c2[nH]ccc21 ZINC001162228475 967768185 /nfs/dbraw/zinc/76/81/85/967768185.db2.gz QINFMRFOSODJNQ-UHFFFAOYSA-N 1 2 241.241 2.639 20 0 BFADLO Cc1cc(Cc2ccc(-c3[nH]cc[nH+]3)cc2)on1 ZINC001250363096 967769773 /nfs/dbraw/zinc/76/97/73/967769773.db2.gz CYDOXUABMWJJCO-UHFFFAOYSA-N 1 2 239.278 2.964 20 0 BFADLO CNc1ccc(Nc2cccn3cc[nH+]c23)cn1 ZINC001203448872 967776819 /nfs/dbraw/zinc/77/68/19/967776819.db2.gz OLKXARRGPOYTKC-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO FC(F)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC001250392475 967808174 /nfs/dbraw/zinc/80/81/74/967808174.db2.gz WKXAYMIXOPTUTP-UHFFFAOYSA-N 1 2 222.238 2.739 20 0 BFADLO c1cc(N2CCCC2)[nH+]cc1CC1CCOCC1 ZINC001250393645 967810287 /nfs/dbraw/zinc/81/02/87/967810287.db2.gz RNPGFHVIWQJNOG-UHFFFAOYSA-N 1 2 246.354 2.651 20 0 BFADLO Cc1cccnc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001205770568 967817745 /nfs/dbraw/zinc/81/77/45/967817745.db2.gz MDMVLPFMDOUMJX-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1cccnc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001205770568 967817749 /nfs/dbraw/zinc/81/77/49/967817749.db2.gz MDMVLPFMDOUMJX-OLZOCXBDSA-N 1 2 240.297 2.662 20 0 BFADLO CCCc1[nH+]c2ccc(F)c(F)c2n1C ZINC001250426246 967840095 /nfs/dbraw/zinc/84/00/95/967840095.db2.gz NIUOKYKEAZNALQ-UHFFFAOYSA-N 1 2 210.227 2.804 20 0 BFADLO Cc1cc(F)cc2[nH+]c(CC3CCOCC3)[nH]c21 ZINC001250433674 967849416 /nfs/dbraw/zinc/84/94/16/967849416.db2.gz WIJOIMPFGNJPQF-UHFFFAOYSA-N 1 2 248.301 2.980 20 0 BFADLO CCc1cc(N2C[C@H](C)C[C@@H]2C)nc(CC)[nH+]1 ZINC001162596712 967870024 /nfs/dbraw/zinc/87/00/24/967870024.db2.gz ACRSYLBPRTZNPB-MNOVXSKESA-N 1 2 233.359 2.836 20 0 BFADLO c1cn2cc(-c3ccnc4ccncc43)ccc2[nH+]1 ZINC001250502169 967992959 /nfs/dbraw/zinc/99/29/59/967992959.db2.gz CSEIOFCFXGPKIW-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CNc1cc(-c2ccnc3ccncc32)cc[nH+]1 ZINC001250506415 968000408 /nfs/dbraw/zinc/00/04/08/968000408.db2.gz LHHKHQFIQSGFPT-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC[C@](C)(F)C2)co1 ZINC001206041591 968008652 /nfs/dbraw/zinc/00/86/52/968008652.db2.gz SOBOSBCUPRBSBX-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO Cc1nc(C[N@H+]2CCCC[C@](C)(F)C2)co1 ZINC001206041591 968008665 /nfs/dbraw/zinc/00/86/65/968008665.db2.gz SOBOSBCUPRBSBX-LBPRGKRZSA-N 1 2 226.295 2.697 20 0 BFADLO CC(C)C1(O)C[NH+](C/C=C\c2cccc(F)c2)C1 ZINC001206174682 968109754 /nfs/dbraw/zinc/10/97/54/968109754.db2.gz QGPJGJLLWCXCFK-XQRVVYSFSA-N 1 2 249.329 2.542 20 0 BFADLO CCOc1ccc2[nH+]c(CCCOC)n(C)c2c1 ZINC001250604800 968149396 /nfs/dbraw/zinc/14/93/96/968149396.db2.gz RJQBKAZACTVQIF-UHFFFAOYSA-N 1 2 248.326 2.551 20 0 BFADLO CCn1c(CCCOC)[nH+]c2cc(C)ccc21 ZINC001250604436 968150658 /nfs/dbraw/zinc/15/06/58/968150658.db2.gz GVCKQJUKFZUXFA-UHFFFAOYSA-N 1 2 232.327 2.944 20 0 BFADLO COc1ccc2c(c1)[nH+]c([C@@H]1C[C@H]1C)n2C ZINC001250616302 968163330 /nfs/dbraw/zinc/16/33/30/968163330.db2.gz ZRLNCKPMDGMSFN-PSASIEDQSA-N 1 2 216.284 2.705 20 0 BFADLO Cc1ccc(-c2[nH]c3ccc(N(C)C)cc3[nH+]2)[nH]1 ZINC001250622351 968169856 /nfs/dbraw/zinc/16/98/56/968169856.db2.gz PWXNIICXBFRTNM-UHFFFAOYSA-N 1 2 240.310 2.932 20 0 BFADLO C[C@H]1CN(c2cccc(C3CC3)[nH+]2)CCC[C@H]1O ZINC001164231563 968196639 /nfs/dbraw/zinc/19/66/39/968196639.db2.gz VELQLELXPHFAHC-SMDDNHRTSA-N 1 2 246.354 2.556 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccccc1N ZINC001206315388 968220531 /nfs/dbraw/zinc/22/05/31/968220531.db2.gz KXWGNKUHOIHZEP-UHFFFAOYSA-N 1 2 229.283 2.806 20 0 BFADLO Cc1ccc2[nH]c(-c3ccc(C)[nH+]c3N)nc2c1 ZINC001250981415 968232030 /nfs/dbraw/zinc/23/20/30/968232030.db2.gz DSSVELLXBMUGGZ-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1ccc2nc(-c3ccc(C)[nH+]c3N)[nH]c2c1 ZINC001250981415 968232039 /nfs/dbraw/zinc/23/20/39/968232039.db2.gz DSSVELLXBMUGGZ-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCN(C)c1ccc(Nc2ccccc2N)c[nH+]1 ZINC001206331119 968237143 /nfs/dbraw/zinc/23/71/43/968237143.db2.gz KZZLBQTYPCTYCO-UHFFFAOYSA-N 1 2 242.326 2.864 20 0 BFADLO CC[NH+](CC)Cc1csc(Br)n1 ZINC000060043553 968374473 /nfs/dbraw/zinc/37/44/73/968374473.db2.gz VMDMOPMZPOSVPE-UHFFFAOYSA-N 1 2 249.177 2.747 20 0 BFADLO Cc1cc(C)c(NC[C@@H](O)c2ccccc2)c[nH+]1 ZINC001251980585 968422614 /nfs/dbraw/zinc/42/26/14/968422614.db2.gz USRHIWAAZFOAOL-OAHLLOKOSA-N 1 2 242.322 2.844 20 0 BFADLO Oc1cc(F)cc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001206799558 968480523 /nfs/dbraw/zinc/48/05/23/968480523.db2.gz MTHSIVUEXIWOIA-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cs1 ZINC001206802054 968485337 /nfs/dbraw/zinc/48/53/37/968485337.db2.gz ZOLSMNBYFJKUBE-SECBINFHSA-N 1 2 246.326 2.929 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H](C(F)F)C2)cs1 ZINC001206802054 968485341 /nfs/dbraw/zinc/48/53/41/968485341.db2.gz ZOLSMNBYFJKUBE-SECBINFHSA-N 1 2 246.326 2.929 20 0 BFADLO C[C@]1(CF)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206856352 968504048 /nfs/dbraw/zinc/50/40/48/968504048.db2.gz SNHNERBEXSYHDN-GFCCVEGCSA-N 1 2 244.260 2.541 20 0 BFADLO C[C@]1(CF)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206856352 968504054 /nfs/dbraw/zinc/50/40/54/968504054.db2.gz SNHNERBEXSYHDN-GFCCVEGCSA-N 1 2 244.260 2.541 20 0 BFADLO FCC1CC[NH+](Cc2c(F)cncc2F)CC1 ZINC001206860797 968505012 /nfs/dbraw/zinc/50/50/12/968505012.db2.gz MQZVIIUFUMFEGT-UHFFFAOYSA-N 1 2 244.260 2.541 20 0 BFADLO Cc1nnc(CNc2ccc([NH+](C)C)cc2)s1 ZINC000698349400 968565795 /nfs/dbraw/zinc/56/57/95/968565795.db2.gz PERYTSUCWBRNBO-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cn2)cn1 ZINC001207043785 968575771 /nfs/dbraw/zinc/57/57/71/968575771.db2.gz OYRNCGCQGIDTMW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccc(F)cn2)cn1 ZINC001207043785 968575774 /nfs/dbraw/zinc/57/57/74/968575774.db2.gz OYRNCGCQGIDTMW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[N@H+](Cc1ccccc1)Cc1ncc(F)cc1F ZINC001207090652 968621565 /nfs/dbraw/zinc/62/15/65/968621565.db2.gz LPEQDFRYOMXOQL-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccccc1)Cc1ncc(F)cc1F ZINC001207090652 968621566 /nfs/dbraw/zinc/62/15/66/968621566.db2.gz LPEQDFRYOMXOQL-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001207133324 968646983 /nfs/dbraw/zinc/64/69/83/968646983.db2.gz OFIRXMPBHFJPPZ-NEPJUHHUSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001207133324 968646985 /nfs/dbraw/zinc/64/69/85/968646985.db2.gz OFIRXMPBHFJPPZ-NEPJUHHUSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1nccc(C[N@H+](Cc2ccco2)C2CC2)n1 ZINC001207169036 968674534 /nfs/dbraw/zinc/67/45/34/968674534.db2.gz RJTHRTBMSCAWEM-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1nccc(C[N@@H+](Cc2ccco2)C2CC2)n1 ZINC001207169036 968674538 /nfs/dbraw/zinc/67/45/38/968674538.db2.gz RJTHRTBMSCAWEM-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO c1ncc2c(n1)C[N@H+](CCC1CCCCC1)C2 ZINC001207255528 968698430 /nfs/dbraw/zinc/69/84/30/968698430.db2.gz YSLWBHMVYOUXJK-UHFFFAOYSA-N 1 2 231.343 2.763 20 0 BFADLO c1ncc2c(n1)C[N@@H+](CCC1CCCCC1)C2 ZINC001207255528 968698435 /nfs/dbraw/zinc/69/84/35/968698435.db2.gz YSLWBHMVYOUXJK-UHFFFAOYSA-N 1 2 231.343 2.763 20 0 BFADLO CC[C@H]1COC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000829421707 968829166 /nfs/dbraw/zinc/82/91/66/968829166.db2.gz WWHUVHFNUFRFNV-FZMZJTMJSA-N 1 2 234.343 2.590 20 0 BFADLO CC(C)OC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC001252580514 968833476 /nfs/dbraw/zinc/83/34/76/968833476.db2.gz SOCWHLJMRLGARL-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)OC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC001252580514 968833482 /nfs/dbraw/zinc/83/34/82/968833482.db2.gz SOCWHLJMRLGARL-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO CC[C@H]1COC[C@H]1Nc1ccc([NH+](C)C)cc1C ZINC000829421396 968836704 /nfs/dbraw/zinc/83/67/04/968836704.db2.gz URZJIBVSERRHKW-SWLSCSKDSA-N 1 2 248.370 2.898 20 0 BFADLO C[C@H](C[NH+]1C[C@@H](F)[C@H](F)C1)c1ccccc1 ZINC001207899526 968921448 /nfs/dbraw/zinc/92/14/48/968921448.db2.gz DLDXTRBRIVSCJC-RAIGVLPGSA-N 1 2 225.282 2.782 20 0 BFADLO OCc1ccc(F)c(-c2[nH+]ccc3[nH]ccc32)c1 ZINC001241147028 968939359 /nfs/dbraw/zinc/93/93/59/968939359.db2.gz ASMXKUFZUPWQMG-UHFFFAOYSA-N 1 2 242.253 2.861 20 0 BFADLO C[N@H+]1CC=C(c2ccc(S)cc2)CC1 ZINC001241319356 968974040 /nfs/dbraw/zinc/97/40/40/968974040.db2.gz IKCWTYRXDHKISS-UHFFFAOYSA-N 1 2 205.326 2.694 20 0 BFADLO C[N@@H+]1CC=C(c2ccc(S)cc2)CC1 ZINC001241319356 968974042 /nfs/dbraw/zinc/97/40/42/968974042.db2.gz IKCWTYRXDHKISS-UHFFFAOYSA-N 1 2 205.326 2.694 20 0 BFADLO CCCNc1cccc(Cc2ccncc2)[nH+]1 ZINC000088680300 968984790 /nfs/dbraw/zinc/98/47/90/968984790.db2.gz XSQUEMZAEDATMP-UHFFFAOYSA-N 1 2 227.311 2.889 20 0 BFADLO Fc1cccc(F)c1CC[NH+]1CC(C(F)F)C1 ZINC001208121074 969015313 /nfs/dbraw/zinc/01/53/13/969015313.db2.gz YKMGHZNHYMZWHV-UHFFFAOYSA-N 1 2 247.235 2.704 20 0 BFADLO CC/C=C\CCCCC[N@@H+]1CCC(=O)C1 ZINC001208194123 969121019 /nfs/dbraw/zinc/12/10/19/969121019.db2.gz KCFYOWJOLQMLAB-ARJAWSKDSA-N 1 2 209.333 2.788 20 0 BFADLO CC/C=C\CCCCC[N@H+]1CCC(=O)C1 ZINC001208194123 969121026 /nfs/dbraw/zinc/12/10/26/969121026.db2.gz KCFYOWJOLQMLAB-ARJAWSKDSA-N 1 2 209.333 2.788 20 0 BFADLO Cc1cc(-c2ccc3c(c2)C(=O)NC3)cc(C)[nH+]1 ZINC001241992052 969158436 /nfs/dbraw/zinc/15/84/36/969158436.db2.gz FKTBIUHUIXIRSL-UHFFFAOYSA-N 1 2 238.290 2.609 20 0 BFADLO FC[C@H]1CC[N@H+](CCC2CC2)CC1(F)F ZINC001208678713 969192893 /nfs/dbraw/zinc/19/28/93/969192893.db2.gz HOVAQFVOIGCYJC-SNVBAGLBSA-N 1 2 221.266 2.713 20 0 BFADLO FC[C@H]1CC[N@@H+](CCC2CC2)CC1(F)F ZINC001208678713 969192895 /nfs/dbraw/zinc/19/28/95/969192895.db2.gz HOVAQFVOIGCYJC-SNVBAGLBSA-N 1 2 221.266 2.713 20 0 BFADLO CCCCC[C@H](O)CNc1ccn2cc[nH+]c2c1 ZINC001253524776 969202222 /nfs/dbraw/zinc/20/22/22/969202222.db2.gz GEVIYMVOUHTHGN-ZDUSSCGKSA-N 1 2 247.342 2.687 20 0 BFADLO CNc1ccc(N[C@@H](C)c2ccc(C)cn2)c[nH+]1 ZINC001168854422 969234983 /nfs/dbraw/zinc/23/49/83/969234983.db2.gz NKWVLVATGLZZNU-NSHDSACASA-N 1 2 242.326 3.000 20 0 BFADLO Cc1ccc([C@H](C)Nc2cccc[nH+]2)nc1 ZINC001168845680 969242857 /nfs/dbraw/zinc/24/28/57/969242857.db2.gz FOJLYWNBWGXEGW-NSHDSACASA-N 1 2 213.284 2.958 20 0 BFADLO Cc1nc2c(ccn2C)c(NCCC2CCC2)[nH+]1 ZINC001168887266 969264795 /nfs/dbraw/zinc/26/47/95/969264795.db2.gz XFEAIBYOPPXSOC-UHFFFAOYSA-N 1 2 244.342 2.879 20 0 BFADLO CCc1cncc(Nc2c[nH+]ccc2OC)c1 ZINC001209165510 969365998 /nfs/dbraw/zinc/36/59/98/969365998.db2.gz DZQPGXNZWUWWAA-UHFFFAOYSA-N 1 2 229.283 2.791 20 0 BFADLO Cc1cc(N[C@H]2CCC[C@@H](O)C2)[nH+]c2cc[nH]c21 ZINC001169252596 969543002 /nfs/dbraw/zinc/54/30/02/969543002.db2.gz CKBQQRHFLQASTC-WDEREUQCSA-N 1 2 245.326 2.587 20 0 BFADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)[nH]1 ZINC001209566714 969547170 /nfs/dbraw/zinc/54/71/70/969547170.db2.gz RBBPRMRSJAPKKR-CQSZACIVSA-N 1 2 245.326 2.957 20 0 BFADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)[nH]1 ZINC001209566714 969547176 /nfs/dbraw/zinc/54/71/76/969547176.db2.gz RBBPRMRSJAPKKR-CQSZACIVSA-N 1 2 245.326 2.957 20 0 BFADLO CC[N@H+](Cc1cnccn1)Cc1ccccc1F ZINC001209787384 969623871 /nfs/dbraw/zinc/62/38/71/969623871.db2.gz WOXUBEUZNGJATP-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1cnccn1)Cc1ccccc1F ZINC001209787384 969623876 /nfs/dbraw/zinc/62/38/76/969623876.db2.gz WOXUBEUZNGJATP-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Oc1cc(F)cnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848457 969658258 /nfs/dbraw/zinc/65/82/58/969658258.db2.gz OMDZUMOYYGFIPE-UHFFFAOYSA-N 1 2 244.229 2.546 20 0 BFADLO CCCCC(=O)[C@H](C)Nc1cc[nH+]c(CC)c1 ZINC001169551034 969743059 /nfs/dbraw/zinc/74/30/59/969743059.db2.gz NPOXSRLLNULLOO-NSHDSACASA-N 1 2 234.343 2.626 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N(C)C)ccc1O ZINC001209975082 969746065 /nfs/dbraw/zinc/74/60/65/969746065.db2.gz JKJZLRKWMUEMJQ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1cc(Nc2cc[nH]c(=O)c2)ccc1[NH+](C)C ZINC001210039984 969770489 /nfs/dbraw/zinc/77/04/89/969770489.db2.gz JVVOZCVJNAWXSE-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1nnc(Nc2ccc3c[nH+]ccc3c2)o1 ZINC001210043504 969772951 /nfs/dbraw/zinc/77/29/51/969772951.db2.gz FPPDASKPALABCW-UHFFFAOYSA-N 1 2 226.239 2.670 20 0 BFADLO Cc1cccc(Nc2cc(F)ccc2CO)[nH+]1 ZINC001210178315 969820868 /nfs/dbraw/zinc/82/08/68/969820868.db2.gz AHNSVVCOAPDKFF-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO Cc1c[nH+]c(Nc2cccc(C)c2O)c(N)c1 ZINC001210188427 969824546 /nfs/dbraw/zinc/82/45/46/969824546.db2.gz WNGUKQUBIIZJHY-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1ccc(Nc2ccc(C)c(CO)c2)[nH+]c1 ZINC001210244374 969841601 /nfs/dbraw/zinc/84/16/01/969841601.db2.gz DWRIBGMVRJVGQC-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO CCCc1cc(Nc2c[nH+]c(C)c(N)c2)on1 ZINC001210284479 969851722 /nfs/dbraw/zinc/85/17/22/969851722.db2.gz GKVVFGOWWFSBLY-UHFFFAOYSA-N 1 2 232.287 2.656 20 0 BFADLO Cc1[nH+]cc(Nc2cccc3ocnc32)cc1N ZINC001210288262 969855704 /nfs/dbraw/zinc/85/57/04/969855704.db2.gz ONISANQEZRNXPY-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO Cc1[nH+]cc(Nc2cnc3occc3c2)cc1N ZINC001210289175 969856031 /nfs/dbraw/zinc/85/60/31/969856031.db2.gz XNRIAMOXUHNFPI-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO COc1ccc(F)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210289306 969856070 /nfs/dbraw/zinc/85/60/70/969856070.db2.gz FNEONIJVDZQQHY-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1cccc(Nc2c[nH+]c(C)c(N)c2)c1O ZINC001210288332 969857246 /nfs/dbraw/zinc/85/72/46/969857246.db2.gz MNIKOSZZTMSYQT-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Cc1[nH+]cc(Nc2cc(F)ccc2O)cc1N ZINC001210287966 969857868 /nfs/dbraw/zinc/85/78/68/969857868.db2.gz JRLYIHBKAGHXAC-UHFFFAOYSA-N 1 2 233.246 2.561 20 0 BFADLO Cc1cc(Nc2c[nH+]c(C)c(N)c2)c(C)cc1N ZINC001210290874 969858949 /nfs/dbraw/zinc/85/89/49/969858949.db2.gz SJSBHXDVEWOCAA-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3cccnc3C2)s1 ZINC001204029922 969880632 /nfs/dbraw/zinc/88/06/32/969880632.db2.gz MTCBWMXNTLHRIJ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3cccnc3C2)s1 ZINC001204029922 969880635 /nfs/dbraw/zinc/88/06/35/969880635.db2.gz MTCBWMXNTLHRIJ-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(CO)c(F)c1 ZINC001210481066 969903903 /nfs/dbraw/zinc/90/39/03/969903903.db2.gz FRIZFIZZRASNNV-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO CC(=CC(=O)OC(C)C)Nc1ccc(C)c(C)[nH+]1 ZINC001156514047 969907831 /nfs/dbraw/zinc/90/78/31/969907831.db2.gz GYQHULWIJGRZEC-FLIBITNWSA-N 1 2 248.326 2.966 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnoc1C ZINC001210579058 969953975 /nfs/dbraw/zinc/95/39/75/969953975.db2.gz QRCNBVKLLFGBEE-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO CC(C)c1ccc(N[C@](C)(C(N)=O)C(C)C)[nH+]c1 ZINC001156649006 969965232 /nfs/dbraw/zinc/96/52/32/969965232.db2.gz UIPPJVDTLXDZDL-AWEZNQCLSA-N 1 2 249.358 2.517 20 0 BFADLO CC(C)(C)[N@@H+]1CC[C@H]1c1nnc(C2CCC2)o1 ZINC001255210203 970007189 /nfs/dbraw/zinc/00/71/89/970007189.db2.gz UXIJWMHXKRYZSK-JTQLQIEISA-N 1 2 235.331 2.882 20 0 BFADLO CC(C)(C)[N@H+]1CC[C@H]1c1nnc(C2CCC2)o1 ZINC001255210203 970007195 /nfs/dbraw/zinc/00/71/95/970007195.db2.gz UXIJWMHXKRYZSK-JTQLQIEISA-N 1 2 235.331 2.882 20 0 BFADLO COc1cc(Nc2c(C)ccnc2F)cc(C)[nH+]1 ZINC001210775463 970028410 /nfs/dbraw/zinc/02/84/10/970028410.db2.gz WJXMBCRGUZEGDP-UHFFFAOYSA-N 1 2 247.273 2.985 20 0 BFADLO CCn1ncc(Nc2cc(C)[nH+]c(OC)c2)c1C ZINC001210777016 970028871 /nfs/dbraw/zinc/02/88/71/970028871.db2.gz UKUBUHXOJHBEGR-UHFFFAOYSA-N 1 2 246.314 2.667 20 0 BFADLO CCCn1nccc1Nc1cc(C)cc[nH+]1 ZINC001210913399 970067529 /nfs/dbraw/zinc/06/75/29/970067529.db2.gz YPKODPLBDXRAEL-UHFFFAOYSA-N 1 2 216.288 2.740 20 0 BFADLO CCCn1nccc1Nc1ccn2cc[nH+]c2c1 ZINC001210916696 970071749 /nfs/dbraw/zinc/07/17/49/970071749.db2.gz YRFHZVVLXQIRFR-UHFFFAOYSA-N 1 2 241.298 2.684 20 0 BFADLO COc1ccc2c(cc(Cl)nc2NC=[NH2+])c1 ZINC001157077737 970073440 /nfs/dbraw/zinc/07/34/40/970073440.db2.gz IQACQWUVUCERES-UHFFFAOYSA-N 1 2 235.674 2.916 20 0 BFADLO c1cn2ccc(Nc3c[nH]c4ncccc34)cc2[nH+]1 ZINC001210940606 970077413 /nfs/dbraw/zinc/07/74/13/970077413.db2.gz ZXLJKHGQYWKVGH-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO [NH2+]=CNc1cccc(-c2cccc(Cl)n2)n1 ZINC001157078099 970078612 /nfs/dbraw/zinc/07/86/12/970078612.db2.gz JMOREQQGDVAVFW-UHFFFAOYSA-N 1 2 232.674 2.816 20 0 BFADLO Cc1cc(-c2nccs2)cn2cc[nH+]c12 ZINC001242896820 970132386 /nfs/dbraw/zinc/13/23/86/970132386.db2.gz UXEBHXXUJRIMFE-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO CC(C)CCC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001170076970 970172055 /nfs/dbraw/zinc/17/20/55/970172055.db2.gz CSGJKAPKUGIGQX-GFCCVEGCSA-N 1 2 248.361 2.742 20 0 BFADLO CC(C)CCC[C@@H](C)[N@@H+]1CCNCC(F)(F)C1 ZINC001170076970 970172058 /nfs/dbraw/zinc/17/20/58/970172058.db2.gz CSGJKAPKUGIGQX-GFCCVEGCSA-N 1 2 248.361 2.742 20 0 BFADLO CC(C)CCC[C@@H](C)[N@H+]1CCNCC(F)(F)C1 ZINC001170076970 970172063 /nfs/dbraw/zinc/17/20/63/970172063.db2.gz CSGJKAPKUGIGQX-GFCCVEGCSA-N 1 2 248.361 2.742 20 0 BFADLO COc1cccc(Nc2c[nH+]c(C)cc2C)n1 ZINC001211296718 970221229 /nfs/dbraw/zinc/22/12/29/970221229.db2.gz DFJKVWZMAGQULL-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO Cc1ccc2cnccc2c1-c1c[nH+]cn1C ZINC001243066982 970256128 /nfs/dbraw/zinc/25/61/28/970256128.db2.gz FNWZQGWRHYBULR-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO FC(F)(F)C1CCC([N@@H+]2CCC23COC3)CC1 ZINC001255520009 970282579 /nfs/dbraw/zinc/28/25/79/970282579.db2.gz BHGLOKSVNMAMRR-UHFFFAOYSA-N 1 2 249.276 2.582 20 0 BFADLO FC(F)(F)C1CCC([N@H+]2CCC23COC3)CC1 ZINC001255520009 970282584 /nfs/dbraw/zinc/28/25/84/970282584.db2.gz BHGLOKSVNMAMRR-UHFFFAOYSA-N 1 2 249.276 2.582 20 0 BFADLO Cc1cc(C)c(Nc2cnnc(Cl)c2)c[nH+]1 ZINC001213503642 970326715 /nfs/dbraw/zinc/32/67/15/970326715.db2.gz QKKQYECUSRROTE-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1cc(C)c(Nc2cncnc2Cl)c[nH+]1 ZINC001213505643 970331087 /nfs/dbraw/zinc/33/10/87/970331087.db2.gz LXDMNMBTNKOFJP-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]cc(Nc2cnc(Cl)nc2)c1C ZINC001213522643 970339791 /nfs/dbraw/zinc/33/97/91/970339791.db2.gz DSKSBNWMKZWSNT-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]cc(Nc2ncc(F)cc2O)c1C ZINC001213527522 970347190 /nfs/dbraw/zinc/34/71/90/970347190.db2.gz QNSCJGYFNCIUKW-UHFFFAOYSA-N 1 2 233.246 2.682 20 0 BFADLO CCOc1cc(Nc2c[nH+]cc(C)c2C)no1 ZINC001213527330 970348235 /nfs/dbraw/zinc/34/82/35/970348235.db2.gz GJFAVILLLIOCIX-UHFFFAOYSA-N 1 2 233.271 2.829 20 0 BFADLO Cc1c[nH+]cc(Nc2cscn2)c1C ZINC001213524891 970348439 /nfs/dbraw/zinc/34/84/39/970348439.db2.gz IGORSAAPJOJLIN-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1c[nH+]cc(Nc2cncc(N(C)C)c2)c1C ZINC001213527564 970349559 /nfs/dbraw/zinc/34/95/59/970349559.db2.gz SWQOKAZVSCKVCI-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1c[nH+]cc(N2CCc3cccc(N)c32)c1C ZINC001213536406 970359366 /nfs/dbraw/zinc/35/93/66/970359366.db2.gz HXXVDIXNJSTIJJ-UHFFFAOYSA-N 1 2 239.322 2.975 20 0 BFADLO O=C(CCCn1cc[nH+]c1)OC1CCCCC1 ZINC000202793779 970418209 /nfs/dbraw/zinc/41/82/09/970418209.db2.gz ILKLKXPDPOUSCA-UHFFFAOYSA-N 1 2 236.315 2.539 20 0 BFADLO COc1cc(F)cc(Nc2ccc(N)[nH+]c2)c1 ZINC000302392523 970430505 /nfs/dbraw/zinc/43/05/05/970430505.db2.gz NHZFHDBLVWUYIL-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO Cc1ccc(Nc2cccc(C)[nH+]2)c(CO)c1 ZINC001214449628 970500781 /nfs/dbraw/zinc/50/07/81/970500781.db2.gz YPALULLJLJHKOJ-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001255841042 970514183 /nfs/dbraw/zinc/51/41/83/970514183.db2.gz BDVLYHYNZHGMFZ-RYUDHWBXSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@@H](Cc1ccccc1F)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001255841042 970514189 /nfs/dbraw/zinc/51/41/89/970514189.db2.gz BDVLYHYNZHGMFZ-RYUDHWBXSA-N 1 2 249.329 2.668 20 0 BFADLO C[C@H](Cc1ccccc1Cl)[NH+]1CCOCC1 ZINC001170267223 970645955 /nfs/dbraw/zinc/64/59/55/970645955.db2.gz USPKVDAXDQUQAI-LLVKDONJSA-N 1 2 239.746 2.603 20 0 BFADLO COc1cccc(C[C@H](C)[NH2+][C@H]2CC2(F)F)c1 ZINC001256141247 970671053 /nfs/dbraw/zinc/67/10/53/970671053.db2.gz OSNBOOOKRNWKEK-CABZTGNLSA-N 1 2 241.281 2.623 20 0 BFADLO Oc1ccc(-c2ccn3cc[nH+]c3c2)c(F)c1 ZINC001206051671 970745853 /nfs/dbraw/zinc/74/58/53/970745853.db2.gz ORFSKQWPSZKHPL-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C[C@@H]1CC[C@@H](c2nnc(C[NH+](C)C)o2)C[C@H]1C ZINC001327353992 972556722 /nfs/dbraw/zinc/55/67/22/972556722.db2.gz OBPUERRLIQXBSW-GMTAPVOTSA-N 1 2 237.347 2.671 20 0 BFADLO C[C@H](OCc1c[nH+]cn1C)c1cccs1 ZINC001222586160 972588646 /nfs/dbraw/zinc/58/86/46/972588646.db2.gz MOQQAHDRMVGGMH-VIFPVBQESA-N 1 2 222.313 2.759 20 0 BFADLO CC(C)[C@H](OCc1c[nH+]cn1C)C(F)(F)F ZINC001222595204 972590812 /nfs/dbraw/zinc/59/08/12/972590812.db2.gz SUHPWMHYZZPUEG-VIFPVBQESA-N 1 2 236.237 2.524 20 0 BFADLO C[C@@H]1CCCC[C@@H]1OCc1c[nH+]cn1C ZINC001222595246 972591609 /nfs/dbraw/zinc/59/16/09/972591609.db2.gz UXRWCEZCEQQTBO-PWSUYJOCSA-N 1 2 208.305 2.515 20 0 BFADLO Cn1c[nH+]cc1CO[C@@H]1CC2CCC1CC2 ZINC001222594566 972591773 /nfs/dbraw/zinc/59/17/73/972591773.db2.gz GQYGAWMDGFXCIX-GCZXYKMCSA-N 1 2 220.316 2.515 20 0 BFADLO C[C@H](Cc1ccccc1)OCc1c[nH+]cn1C ZINC001222594581 972593033 /nfs/dbraw/zinc/59/30/33/972593033.db2.gz HAQWGNDRLWCDTO-GFCCVEGCSA-N 1 2 230.311 2.568 20 0 BFADLO CC1(C)CC[N@@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144665611 972928208 /nfs/dbraw/zinc/92/82/08/972928208.db2.gz BUFYGLUJZVCJIS-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC1(C)CC[N@H+](Cc2cc(F)c(O)cc2F)C1 ZINC001144665611 972928190 /nfs/dbraw/zinc/92/81/90/972928190.db2.gz BUFYGLUJZVCJIS-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc3scnc3c2)CCO1 ZINC001144732938 972971786 /nfs/dbraw/zinc/97/17/86/972971786.db2.gz RPPLILZZYYHMHO-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc3scnc3c2)CCO1 ZINC001144732938 972971799 /nfs/dbraw/zinc/97/17/99/972971799.db2.gz RPPLILZZYYHMHO-JTQLQIEISA-N 1 2 248.351 2.517 20 0 BFADLO CC[C@@H](COC)OCc1cc(C)[nH+]c(C)c1 ZINC001223422818 973054907 /nfs/dbraw/zinc/05/49/07/973054907.db2.gz ZWLWLSJSSRUEAM-ZDUSSCGKSA-N 1 2 223.316 2.640 20 0 BFADLO CCO[C@H](C)COCc1cc(C)[nH+]c(C)c1 ZINC001223425434 973064103 /nfs/dbraw/zinc/06/41/03/973064103.db2.gz RNVJCFKSAUTBLZ-GFCCVEGCSA-N 1 2 223.316 2.640 20 0 BFADLO C/C=C(/C=C\c1nnc(C[NH+](C)C)o1)CC ZINC001329074126 973460188 /nfs/dbraw/zinc/46/01/88/973460188.db2.gz IMFMKQZNRPHHJI-GBLFQTLVSA-N 1 2 221.304 2.501 20 0 BFADLO C/C(=C\C(C)(C)C)c1nnc(C[NH+](C)C)o1 ZINC001329323834 973680804 /nfs/dbraw/zinc/68/08/04/973680804.db2.gz MTKZWHAGQNFAAX-VQHVLOKHSA-N 1 2 223.320 2.581 20 0 BFADLO CCCc1nc(Cn2c[nH+]c(C(C)(C)C)c2)no1 ZINC001329724661 973897098 /nfs/dbraw/zinc/89/70/98/973897098.db2.gz VYLFSUCHHKRIQQ-UHFFFAOYSA-N 1 2 248.330 2.564 20 0 BFADLO C[C@H](Nc1cc(N(C)C)nc[nH+]1)c1ccccc1 ZINC000585414850 973914931 /nfs/dbraw/zinc/91/49/31/973914931.db2.gz AGZZFMVVNHDPPN-NSHDSACASA-N 1 2 242.326 2.716 20 0 BFADLO C[C@H](Nc1cc(N(C)C)[nH+]cn1)c1ccccc1 ZINC000585414850 973914946 /nfs/dbraw/zinc/91/49/46/973914946.db2.gz AGZZFMVVNHDPPN-NSHDSACASA-N 1 2 242.326 2.716 20 0 BFADLO Cc1ccc(N[C@@H](C)c2cncnc2C)c(C)[nH+]1 ZINC001329937751 974041156 /nfs/dbraw/zinc/04/11/56/974041156.db2.gz CHCPYAQSFNNCHR-NSHDSACASA-N 1 2 242.326 2.970 20 0 BFADLO Cn1c(C[N@@H+]2CC(C)(C)C2(C)C)cnc1Cl ZINC001329984476 974066588 /nfs/dbraw/zinc/06/65/88/974066588.db2.gz SAIQXRGZFSRUKR-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO Cn1c(C[N@H+]2CC(C)(C)C2(C)C)cnc1Cl ZINC001329984476 974066599 /nfs/dbraw/zinc/06/65/99/974066599.db2.gz SAIQXRGZFSRUKR-UHFFFAOYSA-N 1 2 241.766 2.694 20 0 BFADLO CC(=O)CC(C)(C)Nc1cccn2cc[nH+]c12 ZINC001171499343 974081127 /nfs/dbraw/zinc/08/11/27/974081127.db2.gz QLAKODXWTXBSHV-UHFFFAOYSA-N 1 2 231.299 2.504 20 0 BFADLO CC(C)(Nc1cccc[nH+]1)c1ccncc1 ZINC001171511472 974090791 /nfs/dbraw/zinc/09/07/91/974090791.db2.gz SIRGUMYLTXAECK-UHFFFAOYSA-N 1 2 213.284 2.824 20 0 BFADLO Cc1cccc2c1CC[C@@H]([NH+]1CC(C)(F)C1)C2 ZINC001171566609 974102833 /nfs/dbraw/zinc/10/28/33/974102833.db2.gz XVARFXSIXDSBLB-CYBMUJFWSA-N 1 2 233.330 2.896 20 0 BFADLO CCOC(=[NH2+])CCCCOCC[C@@H](C)OC ZINC001224960439 974102868 /nfs/dbraw/zinc/10/28/68/974102868.db2.gz CFXUUWOPBPVNIQ-LLVKDONJSA-N 1 2 231.336 2.612 20 0 BFADLO Cc1cccc2c1CC[C@H]([NH+]1CC(C)(F)C1)C2 ZINC001171566610 974103119 /nfs/dbraw/zinc/10/31/19/974103119.db2.gz XVARFXSIXDSBLB-ZDUSSCGKSA-N 1 2 233.330 2.896 20 0 BFADLO CCOC(=[NH2+])CCCCOC[C@@H]1CCO[C@@H]1C ZINC001224960450 974103103 /nfs/dbraw/zinc/10/31/03/974103103.db2.gz CMIMJQFYJODEOL-NEPJUHHUSA-N 1 2 243.347 2.612 20 0 BFADLO Cc1ccc(CC[C@H](C)[N@@H+]2CCCC(=O)C2)cc1 ZINC001171681238 974135243 /nfs/dbraw/zinc/13/52/43/974135243.db2.gz ZFUBWBPNMZXTGZ-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO Cc1ccc(CC[C@H](C)[N@H+]2CCCC(=O)C2)cc1 ZINC001171681238 974135257 /nfs/dbraw/zinc/13/52/57/974135257.db2.gz ZFUBWBPNMZXTGZ-AWEZNQCLSA-N 1 2 245.366 2.981 20 0 BFADLO C[NH+]1CC(Oc2ccc3ccccc3c2)C1 ZINC001225268522 974332776 /nfs/dbraw/zinc/33/27/76/974332776.db2.gz AONNWBISURFWGZ-UHFFFAOYSA-N 1 2 213.280 2.533 20 0 BFADLO C[C@@H](Oc1cc[nH+]cc1)c1ncccc1F ZINC001225293937 974367941 /nfs/dbraw/zinc/36/79/41/974367941.db2.gz CHSUKMZREVQIEA-SECBINFHSA-N 1 2 218.231 2.756 20 0 BFADLO CC(C)Oc1ncccc1COc1cc[nH+]cc1 ZINC001225295899 974370885 /nfs/dbraw/zinc/37/08/85/974370885.db2.gz OLPXNPHYHWTUME-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO CCOC(=O)[C@@H]1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001225295990 974370937 /nfs/dbraw/zinc/37/09/37/974370937.db2.gz PKEIBWIBYISUQW-YPMHNXCESA-N 1 2 249.310 2.582 20 0 BFADLO CC(C)(C)[NH+]1CC(Oc2ccc(F)cc2F)C1 ZINC001225315134 974391489 /nfs/dbraw/zinc/39/14/89/974391489.db2.gz PFBNBXCBQXRJET-UHFFFAOYSA-N 1 2 241.281 2.826 20 0 BFADLO CCc1nn(C[N@H+](CC)CC(C)C)c(=S)o1 ZINC001331016691 974558577 /nfs/dbraw/zinc/55/85/77/974558577.db2.gz IHRCCNZDUBKKLC-UHFFFAOYSA-N 1 2 243.376 2.703 20 0 BFADLO CCc1nn(C[N@@H+](CC)C2CCC2)c(=S)o1 ZINC001331008991 974558931 /nfs/dbraw/zinc/55/89/31/974558931.db2.gz YXLOVDLFMXGNOH-UHFFFAOYSA-N 1 2 241.360 2.600 20 0 BFADLO CCc1nn(C[N@H+](CC)C2CCC2)c(=S)o1 ZINC001331008991 974558935 /nfs/dbraw/zinc/55/89/35/974558935.db2.gz YXLOVDLFMXGNOH-UHFFFAOYSA-N 1 2 241.360 2.600 20 0 BFADLO C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](O)C(F)(F)C2)C[C@H]1C ZINC001172375116 974576352 /nfs/dbraw/zinc/57/63/52/974576352.db2.gz BYMKTZDCOKYYOR-WISYIIOYSA-N 1 2 247.329 2.513 20 0 BFADLO C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](O)C(F)(F)C2)C[C@H]1C ZINC001172375116 974576358 /nfs/dbraw/zinc/57/63/58/974576358.db2.gz BYMKTZDCOKYYOR-WISYIIOYSA-N 1 2 247.329 2.513 20 0 BFADLO CC[NH+]1CC(Oc2cc(Cl)ccc2C)C1 ZINC001225874315 974709242 /nfs/dbraw/zinc/70/92/42/974709242.db2.gz MQWBWHVLDXRJMM-UHFFFAOYSA-N 1 2 225.719 2.731 20 0 BFADLO CCc1cccc(CC)c1OC1C[NH+](CC)C1 ZINC001226177811 974819263 /nfs/dbraw/zinc/81/92/63/974819263.db2.gz YISIZLLJLGPCKM-UHFFFAOYSA-N 1 2 233.355 2.894 20 0 BFADLO O=C1CCC[N@@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565281 974873558 /nfs/dbraw/zinc/87/35/58/974873558.db2.gz VLLNRSNAYWIKIQ-CABCVRRESA-N 1 2 243.350 2.988 20 0 BFADLO O=C1CCC[N@H+]([C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001172565281 974873559 /nfs/dbraw/zinc/87/35/59/974873559.db2.gz VLLNRSNAYWIKIQ-CABCVRRESA-N 1 2 243.350 2.988 20 0 BFADLO c1coc(Nc2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001212692439 974962019 /nfs/dbraw/zinc/96/20/19/974962019.db2.gz SWTAMEDHAPDCGA-UHFFFAOYSA-N 1 2 240.266 2.663 20 0 BFADLO CC(C)[NH+]1CC(Oc2cc(Cl)ccc2F)C1 ZINC001226690980 975026221 /nfs/dbraw/zinc/02/62/21/975026221.db2.gz VITWFTFOAYNRHO-UHFFFAOYSA-N 1 2 243.709 2.951 20 0 BFADLO Cc1cc(O)cc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001206195927 975074208 /nfs/dbraw/zinc/07/42/08/975074208.db2.gz GUHKEGWKWBPDFI-UHFFFAOYSA-N 1 2 225.251 2.591 20 0 BFADLO C[NH+]1CC(Oc2ccc3ccc(Cl)cc3n2)C1 ZINC001226855448 975125765 /nfs/dbraw/zinc/12/57/65/975125765.db2.gz OHSCXXGKEYACPF-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO COc1ccc2cccc(OC3C[NH+](C)C3)c2c1 ZINC001226872798 975131519 /nfs/dbraw/zinc/13/15/19/975131519.db2.gz GTWBPOQJQUFMCL-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO C[NH+]1CC(Oc2cccc3ccc(Cl)nc32)C1 ZINC001227111092 975281029 /nfs/dbraw/zinc/28/10/29/975281029.db2.gz DNGNJCAFTKCXLX-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1conc1C ZINC001212721767 975290723 /nfs/dbraw/zinc/29/07/23/975290723.db2.gz MBOBRTZMRJJYOV-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H](C)c1ncccn1 ZINC001227260057 975334172 /nfs/dbraw/zinc/33/41/72/975334172.db2.gz OBGOOAMVSBFBJL-LLVKDONJSA-N 1 2 229.283 2.628 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H]1CCO[C@@H](C)C1 ZINC001227263298 975341317 /nfs/dbraw/zinc/34/13/17/975341317.db2.gz CSDJNGGHVPOPEI-JQWIXIFHSA-N 1 2 221.300 2.645 20 0 BFADLO Cc1cnc(C[NH+]2CC(c3ccc(F)cc3)C2)o1 ZINC001332998524 975362720 /nfs/dbraw/zinc/36/27/20/975362720.db2.gz GDMAWYGIQZVWEJ-UHFFFAOYSA-N 1 2 246.285 2.722 20 0 BFADLO Cc1cccc(Nc2cc(F)cc(CO)c2)[nH+]1 ZINC001212741874 975480037 /nfs/dbraw/zinc/48/00/37/975480037.db2.gz YCRCJNNYSRNVFN-UHFFFAOYSA-N 1 2 232.258 2.765 20 0 BFADLO COc1ccc2cc(OC3C[NH+](C)C3)ccc2c1 ZINC001227656272 975584547 /nfs/dbraw/zinc/58/45/47/975584547.db2.gz RGVFRMQXZKKYGV-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO COc1cc[nH+]cc1Nc1ccsc1 ZINC001173819275 975594658 /nfs/dbraw/zinc/59/46/58/975594658.db2.gz XQPBIITZMVHPDA-UHFFFAOYSA-N 1 2 206.270 2.895 20 0 BFADLO CN(C)c1ccc[nH+]c1Nc1ccccc1 ZINC001173793009 975618561 /nfs/dbraw/zinc/61/85/61/975618561.db2.gz XQZJNPDKNWOKBW-UHFFFAOYSA-N 1 2 213.284 2.891 20 0 BFADLO COc1ccc(Nc2[nH+]c(C)ccc2O)cc1F ZINC001173861688 975804232 /nfs/dbraw/zinc/80/42/32/975804232.db2.gz FBZYABAGZLGAPA-UHFFFAOYSA-N 1 2 248.257 2.987 20 0 BFADLO COc1cccc(Nc2[nH+]cccc2N(C)C)c1 ZINC001173826085 975841042 /nfs/dbraw/zinc/84/10/42/975841042.db2.gz KDLPTWITSBOYTN-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc[nH]1)c1cccc(C2CC2)c1 ZINC001333608356 975887610 /nfs/dbraw/zinc/88/76/10/975887610.db2.gz YYFVOIOMEVPLJW-SNVBAGLBSA-N 1 2 242.326 2.533 20 0 BFADLO COc1cc2c(cc1O[C@@H]1C=CCC1)C=[NH+]CC2 ZINC001228091464 975901176 /nfs/dbraw/zinc/90/11/76/975901176.db2.gz WSYFHGJEQPOKMW-CYBMUJFWSA-N 1 2 243.306 2.768 20 0 BFADLO COc1ccc(Nc2cc(C)[nH+]c(OC)c2)cn1 ZINC001173958291 976000277 /nfs/dbraw/zinc/00/02/77/976000277.db2.gz DQIXNXZQOSCFOI-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO CCc1ccccc1[N@H+]1C(=N)C=C(Cl)C=C1N ZINC001173968170 976023976 /nfs/dbraw/zinc/02/39/76/976023976.db2.gz OBGVVVPJJYSVQL-UHFFFAOYSA-N 1 2 247.729 2.755 20 0 BFADLO CCc1ccccc1[N@@H+]1C(=N)C=C(Cl)C=C1N ZINC001173968170 976023991 /nfs/dbraw/zinc/02/39/91/976023991.db2.gz OBGVVVPJJYSVQL-UHFFFAOYSA-N 1 2 247.729 2.755 20 0 BFADLO Cc1[nH]c2ccc(OC[C@H]3CCCCO3)cc2[nH+]1 ZINC001228327227 976121385 /nfs/dbraw/zinc/12/13/85/976121385.db2.gz PLWXSUAOFWYMKQ-GFCCVEGCSA-N 1 2 246.310 2.819 20 0 BFADLO COCc1cccc(Nc2[nH+]c(C)ccc2O)c1 ZINC001174092985 976279822 /nfs/dbraw/zinc/27/98/22/976279822.db2.gz WJJNNFMVOVRPSA-UHFFFAOYSA-N 1 2 244.294 2.986 20 0 BFADLO COc1cc[nH+]cc1Nc1cnccc1C ZINC001174115471 976326540 /nfs/dbraw/zinc/32/65/40/976326540.db2.gz GOUDCACROQLWMT-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO Cc1ccncc1Nc1ccn2cc[nH+]c2c1 ZINC001174118513 976348043 /nfs/dbraw/zinc/34/80/43/976348043.db2.gz UORRPLCKDJKCSH-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CNc1cc(N2CC[C@@H](C)C3(CCC3)C2)nc[nH+]1 ZINC001334188143 976361082 /nfs/dbraw/zinc/36/10/82/976361082.db2.gz PYDRPFLUUQMGGC-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO CNc1cc(N2CC[C@@H](C)C3(CCC3)C2)[nH+]cn1 ZINC001334188143 976361093 /nfs/dbraw/zinc/36/10/93/976361093.db2.gz PYDRPFLUUQMGGC-LLVKDONJSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1n[nH]c(C)c1Nc1[nH+]c2ccccc2n1C ZINC001174213234 976392995 /nfs/dbraw/zinc/39/29/95/976392995.db2.gz QMWAWHBNNGKPLP-UHFFFAOYSA-N 1 2 241.298 2.657 20 0 BFADLO Cc1nn(C)c(C)c1Nc1[nH+]c(C)ccc1C ZINC001174225421 976420604 /nfs/dbraw/zinc/42/06/04/976420604.db2.gz INNKTHKXOHOVGS-UHFFFAOYSA-N 1 2 230.315 2.792 20 0 BFADLO Cc1ccc(Nc2ccc(N(C)C)[nH+]c2)cn1 ZINC001174280723 976434652 /nfs/dbraw/zinc/43/46/52/976434652.db2.gz QBIXQYICXLONDD-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO Cc1ccc(Nc2cccn3cc[nH+]c23)cn1 ZINC001174281324 976437673 /nfs/dbraw/zinc/43/76/73/976437673.db2.gz PXWGLORMYRZDPR-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO COc1cc(Nc2cncc(F)c2)cc(C)[nH+]1 ZINC001174289968 976456954 /nfs/dbraw/zinc/45/69/54/976456954.db2.gz FYKOSHVPKJFUFY-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO CC[NH+]1CC(Oc2cc(OC(C)C)ccc2C)C1 ZINC001228728171 976461373 /nfs/dbraw/zinc/46/13/73/976461373.db2.gz RYRFVSZBOCRKJD-UHFFFAOYSA-N 1 2 249.354 2.865 20 0 BFADLO COc1ccc2c(cccc2OC2C[NH+](C)C2)c1 ZINC001228750613 976485118 /nfs/dbraw/zinc/48/51/18/976485118.db2.gz WZWLLQTXDJLEGF-UHFFFAOYSA-N 1 2 243.306 2.541 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccnc(OC)c1 ZINC001174303547 976494500 /nfs/dbraw/zinc/49/45/00/976494500.db2.gz SXFAQEAXCOASOS-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc(Nc2cccc(C)[nH+]2)ccn1 ZINC001174306279 976518970 /nfs/dbraw/zinc/51/89/70/976518970.db2.gz YWOZZMWGPVBLKN-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2cn[nH]c2c1 ZINC001174497630 976720411 /nfs/dbraw/zinc/72/04/11/976720411.db2.gz BUTKTAZWQWFSPW-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2c[nH]nc2c1 ZINC001174497630 976720426 /nfs/dbraw/zinc/72/04/26/976720426.db2.gz BUTKTAZWQWFSPW-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO CCn1cc(Nc2ccc3c(c2)[nH+]cn3C)cn1 ZINC001174569890 976841396 /nfs/dbraw/zinc/84/13/96/976841396.db2.gz HWJKLABWDHQWAZ-UHFFFAOYSA-N 1 2 241.298 2.533 20 0 BFADLO Cc1cc(O)ccc1Nc1[nH+]cccc1N(C)C ZINC001174564717 976879005 /nfs/dbraw/zinc/87/90/05/976879005.db2.gz LTZVKKDQMRSWKQ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1[nH+]c2ccc(N)cc2n1-c1cncc(C)c1 ZINC001174756225 977058903 /nfs/dbraw/zinc/05/89/03/977058903.db2.gz MYNZUTHXLUDHKE-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)c(N)c1 ZINC001174932911 977167969 /nfs/dbraw/zinc/16/79/69/977167969.db2.gz IBWNOCXMGIUILE-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(N(C)C)c1 ZINC001174962525 977186768 /nfs/dbraw/zinc/18/67/68/977186768.db2.gz QDKSZGAQJZZELS-UHFFFAOYSA-N 1 2 243.310 2.900 20 0 BFADLO COc1cc[nH+]cc1Nc1c(F)cccc1OC ZINC001174992220 977198121 /nfs/dbraw/zinc/19/81/21/977198121.db2.gz WYVIIXOLNZTWDW-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO CN(C)c1ccc(Nc2ccc(F)c(O)c2)c[nH+]1 ZINC001175343005 977365060 /nfs/dbraw/zinc/36/50/60/977365060.db2.gz BXNIDRQMCZDLPQ-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Cc1nocc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350701 977390365 /nfs/dbraw/zinc/39/03/65/977390365.db2.gz XOHSNIVXSKAERO-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO c1cn2cccc(Nc3cncs3)c2[nH+]1 ZINC001175495913 977451946 /nfs/dbraw/zinc/45/19/46/977451946.db2.gz XYDCKGFAWXNEAL-UHFFFAOYSA-N 1 2 216.269 2.534 20 0 BFADLO COc1cc(Nc2cncs2)cc(C)[nH+]1 ZINC001175496449 977459876 /nfs/dbraw/zinc/45/98/76/977459876.db2.gz AEVLFBUJFIYWBL-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO CO[C@@H](C)CCOc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001231081483 977474086 /nfs/dbraw/zinc/47/40/86/977474086.db2.gz MBQYXIYOKZOTBG-NSHDSACASA-N 1 2 246.310 2.881 20 0 BFADLO CCc1cccc(Nc2ccc(CO)cc2)[nH+]1 ZINC001175562060 977544350 /nfs/dbraw/zinc/54/43/50/977544350.db2.gz HGXZZGFVTWAKPG-UHFFFAOYSA-N 1 2 228.295 2.880 20 0 BFADLO C[N@@H+]1CCCC(=Nc2cc(-c3ccco3)no2)C1 ZINC001175577484 977591169 /nfs/dbraw/zinc/59/11/69/977591169.db2.gz UJDHTWPKORMFRV-UHFFFAOYSA-N 1 2 245.282 2.566 20 0 BFADLO C[N@H+]1CCCC(=Nc2cc(-c3ccco3)no2)C1 ZINC001175577484 977591179 /nfs/dbraw/zinc/59/11/79/977591179.db2.gz UJDHTWPKORMFRV-UHFFFAOYSA-N 1 2 245.282 2.566 20 0 BFADLO C[N@@H+]1CCC=C(Nc2c(F)cc(F)cc2F)C1 ZINC001175576824 977591465 /nfs/dbraw/zinc/59/14/65/977591465.db2.gz ULGMVCNTNYHGJC-UHFFFAOYSA-N 1 2 242.244 2.735 20 0 BFADLO C[N@H+]1CCC=C(Nc2c(F)cc(F)cc2F)C1 ZINC001175576824 977591474 /nfs/dbraw/zinc/59/14/74/977591474.db2.gz ULGMVCNTNYHGJC-UHFFFAOYSA-N 1 2 242.244 2.735 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2c[nH]nc21 ZINC001175637588 977609509 /nfs/dbraw/zinc/60/95/09/977609509.db2.gz ZLJZJAZUIWSSHV-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1c[nH+]c(NC2=CCCCC2)c(N)c1 ZINC001175752446 977672109 /nfs/dbraw/zinc/67/21/09/977672109.db2.gz LDGNBHUMDBVDHV-UHFFFAOYSA-N 1 2 203.289 2.842 20 0 BFADLO Cc1cc(F)cc(N(C)Cc2nccs2)[nH+]1 ZINC001336526471 977746003 /nfs/dbraw/zinc/74/60/03/977746003.db2.gz CZMNUJITOXNQAG-UHFFFAOYSA-N 1 2 237.303 2.622 20 0 BFADLO CC[C@H]1CCN(c2cc(F)cc(C)[nH+]2)C1 ZINC001336543433 977761740 /nfs/dbraw/zinc/76/17/40/977761740.db2.gz MORWMRYJVSCAHH-JTQLQIEISA-N 1 2 208.280 2.765 20 0 BFADLO CC1(C)C[NH+](Cc2ccnc(C(F)F)c2)C1 ZINC001231886741 977780854 /nfs/dbraw/zinc/78/08/54/977780854.db2.gz GCLUTEAULUYCAS-UHFFFAOYSA-N 1 2 226.270 2.861 20 0 BFADLO CCC[C@@H]1CN(c2ccc(CC)c[nH+]2)CCO1 ZINC001336562694 977782032 /nfs/dbraw/zinc/78/20/32/977782032.db2.gz SGXRVDBTLDRLKP-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccnc(C(F)F)c2)C[C@@H]1F ZINC001231887232 977785726 /nfs/dbraw/zinc/78/57/26/977785726.db2.gz OPDJGWUAVYBOLG-SCZZXKLOSA-N 1 2 244.260 2.809 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccnc(C(F)F)c2)C[C@@H]1F ZINC001231887232 977785735 /nfs/dbraw/zinc/78/57/35/977785735.db2.gz OPDJGWUAVYBOLG-SCZZXKLOSA-N 1 2 244.260 2.809 20 0 BFADLO Cc1ccc(Nc2cscn2)c(C)[nH+]1 ZINC001175938346 977796002 /nfs/dbraw/zinc/79/60/02/977796002.db2.gz WEDCRXOYECIBJQ-UHFFFAOYSA-N 1 2 205.286 2.899 20 0 BFADLO Cc1cn2cccc(Nc3cscn3)c2[nH+]1 ZINC001175941640 977804209 /nfs/dbraw/zinc/80/42/09/977804209.db2.gz FBRBWIZNQGIDPD-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO c1nc(Nc2ccc[nH+]c2N2CCCC2)cs1 ZINC001175942219 977805481 /nfs/dbraw/zinc/80/54/81/977805481.db2.gz VCWFSCGZHVTTBD-UHFFFAOYSA-N 1 2 246.339 2.882 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC001231961752 977814344 /nfs/dbraw/zinc/81/43/44/977814344.db2.gz OZYNHTIDTCDJKF-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@@H]1CC[N@H+]1Cc1ncccc1C(F)(F)F ZINC001231961752 977814349 /nfs/dbraw/zinc/81/43/49/977814349.db2.gz OZYNHTIDTCDJKF-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO Fc1ncc(Cl)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001231991337 977827108 /nfs/dbraw/zinc/82/71/08/977827108.db2.gz ZWOLJBUUJYHDIL-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO Fc1ncc(Cl)cc1C[N@H+]1CCC2(CC2)C1 ZINC001231991337 977827110 /nfs/dbraw/zinc/82/71/10/977827110.db2.gz ZWOLJBUUJYHDIL-UHFFFAOYSA-N 1 2 240.709 2.860 20 0 BFADLO CCc1ccc(N2CC[C@H](OC)[C@@H](C)C2)[nH+]c1 ZINC001336665432 977838693 /nfs/dbraw/zinc/83/86/93/977838693.db2.gz JTMITANYVKSVRX-AAEUAGOBSA-N 1 2 234.343 2.505 20 0 BFADLO C=CC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001336706698 977872190 /nfs/dbraw/zinc/87/21/90/977872190.db2.gz ZISBKTDFAHTEJR-UHFFFAOYSA-N 1 2 241.294 2.818 20 0 BFADLO c1c[nH+]c(Nc2snnc2-c2ccccc2)[nH]1 ZINC001176079226 977874270 /nfs/dbraw/zinc/87/42/70/977874270.db2.gz GLWVGALNMWZUOQ-UHFFFAOYSA-N 1 2 243.295 2.672 20 0 BFADLO Cc1[nH]c(CNc2ccnc(C(C)C)n2)[nH+]c1C ZINC001336725163 977885551 /nfs/dbraw/zinc/88/55/51/977885551.db2.gz BUELZURWRCQIGF-UHFFFAOYSA-N 1 2 245.330 2.552 20 0 BFADLO Cc1c(C)n(-c2[nH]cc[nH+]2)c2c1cccc2N ZINC001176090389 977890817 /nfs/dbraw/zinc/89/08/17/977890817.db2.gz DPVYLKHBUQEYPH-UHFFFAOYSA-N 1 2 226.283 2.553 20 0 BFADLO Cc1cccc2c1C[N@H+](Cc1ccns1)C2 ZINC001232188605 977911475 /nfs/dbraw/zinc/91/14/75/977911475.db2.gz HGLGCWJGICQYHH-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO Cc1cccc2c1C[N@@H+](Cc1ccns1)C2 ZINC001232188605 977911483 /nfs/dbraw/zinc/91/14/83/977911483.db2.gz HGLGCWJGICQYHH-UHFFFAOYSA-N 1 2 230.336 2.967 20 0 BFADLO C[N@H+](Cc1cnsc1)Cc1ccc(F)cc1 ZINC001232224686 977942168 /nfs/dbraw/zinc/94/21/68/977942168.db2.gz PIDBOOWZBGJZBB-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1cnsc1)Cc1ccc(F)cc1 ZINC001232224686 977942176 /nfs/dbraw/zinc/94/21/76/977942176.db2.gz PIDBOOWZBGJZBB-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO CCOc1cccnc1Nc1c[nH+]ccc1OC ZINC001176116624 977943282 /nfs/dbraw/zinc/94/32/82/977943282.db2.gz ICLBVZRVJBAQRS-UHFFFAOYSA-N 1 2 245.282 2.628 20 0 BFADLO COc1cc[nH+]cc1Nc1cnc(C)s1 ZINC001176118423 977947534 /nfs/dbraw/zinc/94/75/34/977947534.db2.gz KLHQQBGWXFQPLR-UHFFFAOYSA-N 1 2 221.285 2.599 20 0 BFADLO COc1cc[nH+]cc1Nc1cnn(C(C)C)c1 ZINC001176118989 977950995 /nfs/dbraw/zinc/95/09/95/977950995.db2.gz ROCXHCBDRCEUAJ-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc2ncoc2c1 ZINC001176120897 977951983 /nfs/dbraw/zinc/95/19/83/977951983.db2.gz ALUILTRQEOHZNN-UHFFFAOYSA-N 1 2 241.250 2.975 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(C)ccc1OC ZINC001176119459 977952758 /nfs/dbraw/zinc/95/27/58/977952758.db2.gz TZHXDVJYDUAXOO-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1ccnc(SC)c1 ZINC001176120994 977953669 /nfs/dbraw/zinc/95/36/69/977953669.db2.gz DDKAQAMCBADGTA-UHFFFAOYSA-N 1 2 247.323 2.951 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc(C)c1O ZINC001176121603 977956644 /nfs/dbraw/zinc/95/66/44/977956644.db2.gz ZNYNGGOJTYDBMK-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO COc1cc[nH+]cc1Nc1ccccc1O ZINC001176122556 977957014 /nfs/dbraw/zinc/95/70/14/977957014.db2.gz ALSNGFWXXLRZPM-UHFFFAOYSA-N 1 2 216.240 2.539 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc([C@H](C)O)c1 ZINC001176122016 977957053 /nfs/dbraw/zinc/95/70/53/977957053.db2.gz ZBCQLPVVDWEPLL-JTQLQIEISA-N 1 2 244.294 2.887 20 0 BFADLO COc1cc[nH+]cc1Nc1c(C)cccc1N ZINC001176122603 977957074 /nfs/dbraw/zinc/95/70/74/977957074.db2.gz CTSJFOGLWYLFOF-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)ccc1CO ZINC001176124644 977958467 /nfs/dbraw/zinc/95/84/67/977958467.db2.gz SUNMAVPZPCRUNA-UHFFFAOYSA-N 1 2 244.294 2.635 20 0 BFADLO CSc1cc(C)c(C[N@H+](C)CCF)cn1 ZINC001232352217 978030367 /nfs/dbraw/zinc/03/03/67/978030367.db2.gz VVMIDCDXGBGEMS-UHFFFAOYSA-N 1 2 228.336 2.513 20 0 BFADLO CSc1cc(C)c(C[N@@H+](C)CCF)cn1 ZINC001232352217 978030376 /nfs/dbraw/zinc/03/03/76/978030376.db2.gz VVMIDCDXGBGEMS-UHFFFAOYSA-N 1 2 228.336 2.513 20 0 BFADLO Cc1c[nH+]c(Nc2csc(CO)c2)c(C)c1 ZINC001176365643 978050155 /nfs/dbraw/zinc/05/01/55/978050155.db2.gz CQBRZNLFFMDJHK-UHFFFAOYSA-N 1 2 234.324 2.996 20 0 BFADLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(C)cc1)C2 ZINC001204173574 978097808 /nfs/dbraw/zinc/09/78/08/978097808.db2.gz DCGMJJQGKAMQGF-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC001204173574 978097814 /nfs/dbraw/zinc/09/78/14/978097814.db2.gz DCGMJJQGKAMQGF-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO CCc1csc(C[NH+]2CC(C)(C)C2)n1 ZINC001232470336 978116179 /nfs/dbraw/zinc/11/61/79/978116179.db2.gz UMHWKLWCCWAGAU-UHFFFAOYSA-N 1 2 210.346 2.547 20 0 BFADLO COc1cccc(C)c1C[N@@H+]1CCC(=O)C[C@H]1C ZINC001232620745 978200122 /nfs/dbraw/zinc/20/01/22/978200122.db2.gz RUSGALSPFHSYEW-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO COc1cccc(C)c1C[N@H+]1CCC(=O)C[C@H]1C ZINC001232620745 978200130 /nfs/dbraw/zinc/20/01/30/978200130.db2.gz RUSGALSPFHSYEW-GFCCVEGCSA-N 1 2 247.338 2.557 20 0 BFADLO C=Cc1ccc(NC(=O)CCn2cc[nH+]c2)cc1 ZINC001176878107 978225372 /nfs/dbraw/zinc/22/53/72/978225372.db2.gz CQQOKTXZCWEOSR-UHFFFAOYSA-N 1 2 241.294 2.555 20 0 BFADLO CC(C)[C@@H](O)CC[N@@H+]1CC(F)(F)CC[C@@H]1C ZINC001176896730 978254277 /nfs/dbraw/zinc/25/42/77/978254277.db2.gz HYQMAQVMBLMIIY-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO CC(C)[C@@H](O)CC[N@H+]1CC(F)(F)CC[C@@H]1C ZINC001176896730 978254288 /nfs/dbraw/zinc/25/42/88/978254288.db2.gz HYQMAQVMBLMIIY-QWRGUYRKSA-N 1 2 235.318 2.513 20 0 BFADLO Cc1c(C[N@H+]2C[C@@H](C)[C@@H](F)C2)ccnc1Cl ZINC001232752197 978261943 /nfs/dbraw/zinc/26/19/43/978261943.db2.gz SQIHYWVXUSZETB-KCJUWKMLSA-N 1 2 242.725 2.833 20 0 BFADLO Cc1c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)ccnc1Cl ZINC001232752197 978261955 /nfs/dbraw/zinc/26/19/55/978261955.db2.gz SQIHYWVXUSZETB-KCJUWKMLSA-N 1 2 242.725 2.833 20 0 BFADLO CCc1cc(N2CCC[C@H]2C(F)F)nc(C)[nH+]1 ZINC001337315622 978280949 /nfs/dbraw/zinc/28/09/49/978280949.db2.gz ATDCKHMBOXGVCP-JTQLQIEISA-N 1 2 241.285 2.581 20 0 BFADLO C=C/C=C\CC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001597184123 978297934 /nfs/dbraw/zinc/29/79/34/978297934.db2.gz CXJVFDDRLXCNST-SREVYHEPSA-N 1 2 245.326 2.527 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC001177225470 978312511 /nfs/dbraw/zinc/31/25/11/978312511.db2.gz BMOBKHDIIGROHF-NSCUHMNNSA-N 1 2 245.301 2.660 20 0 BFADLO Cc1cc(O)cc(C[N@H+](C)Cc2cncs2)c1 ZINC001232882046 978320923 /nfs/dbraw/zinc/32/09/23/978320923.db2.gz OOYBXVYTKAESGI-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Cc1cc(O)cc(C[N@@H+](C)Cc2cncs2)c1 ZINC001232882046 978320932 /nfs/dbraw/zinc/32/09/32/978320932.db2.gz OOYBXVYTKAESGI-UHFFFAOYSA-N 1 2 248.351 2.789 20 0 BFADLO Oc1c(F)ccc(C[N@@H+]2CCCC23CC3)c1F ZINC001232931745 978339486 /nfs/dbraw/zinc/33/94/86/978339486.db2.gz SRRJQZMTLDFDHP-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1c(F)ccc(C[N@H+]2CCCC23CC3)c1F ZINC001232931745 978339498 /nfs/dbraw/zinc/33/94/98/978339498.db2.gz SRRJQZMTLDFDHP-UHFFFAOYSA-N 1 2 239.265 2.799 20 0 BFADLO Oc1c(F)ccc(C[NH+]2C3CCC2CC3)c1F ZINC001232935544 978344693 /nfs/dbraw/zinc/34/46/93/978344693.db2.gz SHJPTDYTWKGTPM-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO CC(C)c1[nH]cc(CNC(=O)[C@H]2CC=CCC2)[nH+]1 ZINC001597807282 978370571 /nfs/dbraw/zinc/37/05/71/978370571.db2.gz ZIXWYNBAUSEMBH-NSHDSACASA-N 1 2 247.342 2.506 20 0 BFADLO CC(C)c1[nH]c(CNC(=O)[C@H]2CC=CCC2)c[nH+]1 ZINC001597807282 978370573 /nfs/dbraw/zinc/37/05/73/978370573.db2.gz ZIXWYNBAUSEMBH-NSHDSACASA-N 1 2 247.342 2.506 20 0 BFADLO Cc1cc(C)c(C[N@H+](C)Cc2cncs2)cn1 ZINC001233011233 978415266 /nfs/dbraw/zinc/41/52/66/978415266.db2.gz FHWOIFPANOPGKF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C)c(C[N@@H+](C)Cc2cncs2)cn1 ZINC001233011233 978415280 /nfs/dbraw/zinc/41/52/80/978415280.db2.gz FHWOIFPANOPGKF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO CCOc1ncc(Cl)cc1C[N@@H+]1CC[C@H]1C ZINC001233166741 978484179 /nfs/dbraw/zinc/48/41/79/978484179.db2.gz HCWOIVJCOXLGML-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO CCOc1ncc(Cl)cc1C[N@H+]1CC[C@H]1C ZINC001233166741 978484183 /nfs/dbraw/zinc/48/41/83/978484183.db2.gz HCWOIVJCOXLGML-SECBINFHSA-N 1 2 240.734 2.728 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nccs1)CO2 ZINC001178002308 978486750 /nfs/dbraw/zinc/48/67/50/978486750.db2.gz CYNAYQBXFSKJLR-NSHDSACASA-N 1 2 246.335 2.675 20 0 BFADLO CCc1ccc(N2CCCSCC2)[nH+]c1 ZINC001337810198 978507085 /nfs/dbraw/zinc/50/70/85/978507085.db2.gz SETCOTGUMHZOHN-UHFFFAOYSA-N 1 2 222.357 2.587 20 0 BFADLO COC1(C)C[NH+](Cc2cc(Cl)ccc2C)C1 ZINC001233248012 978512396 /nfs/dbraw/zinc/51/23/96/978512396.db2.gz UICZNJOWLAAENP-UHFFFAOYSA-N 1 2 239.746 2.869 20 0 BFADLO CCc1ccc(N2C[C@H](C)OC(C)(C)C2)[nH+]c1 ZINC001337840352 978524367 /nfs/dbraw/zinc/52/43/67/978524367.db2.gz GNJNFQLFCOWCRU-NSHDSACASA-N 1 2 234.343 2.648 20 0 BFADLO CCN(Cc1ccccn1)c1cc(F)cc(C)[nH+]1 ZINC001337885650 978547293 /nfs/dbraw/zinc/54/72/93/978547293.db2.gz VPGTVLSHABNUHF-UHFFFAOYSA-N 1 2 245.301 2.951 20 0 BFADLO C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)C1(C)CC1 ZINC001338014079 978588295 /nfs/dbraw/zinc/58/82/95/978588295.db2.gz MLBVLLOFUBGELE-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)C1(C)CC1 ZINC001338014079 978588303 /nfs/dbraw/zinc/58/83/03/978588303.db2.gz MLBVLLOFUBGELE-LLVKDONJSA-N 1 2 246.358 2.677 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC001338242596 978639335 /nfs/dbraw/zinc/63/93/35/978639335.db2.gz MCRUFCWOJIKRLA-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO CCC1(C(=O)Nc2cc[nH+]c3c2CCC3)CCC1 ZINC001179018413 978656049 /nfs/dbraw/zinc/65/60/49/978656049.db2.gz MYUBCSMIJUWDLL-UHFFFAOYSA-N 1 2 244.338 2.511 20 0 BFADLO CCOCCc1ccc(N2CCCCC2)[nH+]c1 ZINC001249940322 978737214 /nfs/dbraw/zinc/73/72/14/978737214.db2.gz XBTWVBQRVIPZTM-UHFFFAOYSA-N 1 2 234.343 2.651 20 0 BFADLO Cc1c(Cl)cccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001180367749 978875017 /nfs/dbraw/zinc/87/50/17/978875017.db2.gz CQKBGYKKKMLFMN-JTQLQIEISA-N 1 2 239.746 2.869 20 0 BFADLO Cc1nc(C[NH+]2CCC(F)(F)CC2)c(C)s1 ZINC001339705412 978896779 /nfs/dbraw/zinc/89/67/79/978896779.db2.gz UGQLOWJQVLUZPA-UHFFFAOYSA-N 1 2 246.326 2.991 20 0 BFADLO CCc1ccc(N2CC[C@@H](SC)C2)[nH+]c1 ZINC001339736644 978902832 /nfs/dbraw/zinc/90/28/32/978902832.db2.gz OUEUGFGHSCJXIZ-LLVKDONJSA-N 1 2 222.357 2.586 20 0 BFADLO CCc1ccc(N2CC[C@H](SC)C2)[nH+]c1 ZINC001339736647 978903090 /nfs/dbraw/zinc/90/30/90/978903090.db2.gz OUEUGFGHSCJXIZ-NSHDSACASA-N 1 2 222.357 2.586 20 0 BFADLO Cc1cccc(C(F)(F)F)c1OC1C[NH+](C)C1 ZINC001234954534 978936850 /nfs/dbraw/zinc/93/68/50/978936850.db2.gz IPPMPPXLJDGDQM-UHFFFAOYSA-N 1 2 245.244 2.707 20 0 BFADLO CCCC1CC[NH+](Cc2ncc(F)cn2)CC1 ZINC001235004005 978948478 /nfs/dbraw/zinc/94/84/78/978948478.db2.gz LRPYLNYZTZVCAC-UHFFFAOYSA-N 1 2 237.322 2.628 20 0 BFADLO CCc1cccc(C[N@@H+]2CCCC[C@H]2C(C)=O)n1 ZINC001235263550 979014400 /nfs/dbraw/zinc/01/44/00/979014400.db2.gz IYVJFTALLCWIMQ-HNNXBMFYSA-N 1 2 246.354 2.588 20 0 BFADLO CCc1cccc(C[N@H+]2CCCC[C@H]2C(C)=O)n1 ZINC001235263550 979014406 /nfs/dbraw/zinc/01/44/06/979014406.db2.gz IYVJFTALLCWIMQ-HNNXBMFYSA-N 1 2 246.354 2.588 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)cn2)[C@@H]1C ZINC001235412999 979039666 /nfs/dbraw/zinc/03/96/66/979039666.db2.gz MKEJDAKUAKVHHF-NXEZZACHSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)cn2)[C@@H]1C ZINC001235412999 979039670 /nfs/dbraw/zinc/03/96/70/979039670.db2.gz MKEJDAKUAKVHHF-NXEZZACHSA-N 1 2 239.750 2.750 20 0 BFADLO CC[C@H]1CCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235412533 979040080 /nfs/dbraw/zinc/04/00/80/979040080.db2.gz FZUJLCZOBBCJKY-JTQLQIEISA-N 1 2 225.723 2.504 20 0 BFADLO CC[C@H]1CCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235412533 979040085 /nfs/dbraw/zinc/04/00/85/979040085.db2.gz FZUJLCZOBBCJKY-JTQLQIEISA-N 1 2 225.723 2.504 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235413001 979040739 /nfs/dbraw/zinc/04/07/39/979040739.db2.gz MKEJDAKUAKVHHF-VHSXEESVSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncc(Cl)cn1 ZINC001235413001 979040746 /nfs/dbraw/zinc/04/07/46/979040746.db2.gz MKEJDAKUAKVHHF-VHSXEESVSA-N 1 2 239.750 2.750 20 0 BFADLO Cc1cc(OC(C)C)ncc1C[N@H+](C)CCF ZINC001235431642 979046513 /nfs/dbraw/zinc/04/65/13/979046513.db2.gz GMONHMRMRUNCBB-UHFFFAOYSA-N 1 2 240.322 2.579 20 0 BFADLO Cc1cc(OC(C)C)ncc1C[N@@H+](C)CCF ZINC001235431642 979046518 /nfs/dbraw/zinc/04/65/18/979046518.db2.gz GMONHMRMRUNCBB-UHFFFAOYSA-N 1 2 240.322 2.579 20 0 BFADLO CC[N@H+](Cc1nc2ccc(F)cc2[nH]1)C1CC1 ZINC001235684561 979117202 /nfs/dbraw/zinc/11/72/02/979117202.db2.gz SWYACUJHSXUQNL-UHFFFAOYSA-N 1 2 233.290 2.686 20 0 BFADLO CC[N@@H+](Cc1nc2ccc(F)cc2[nH]1)C1CC1 ZINC001235684561 979117206 /nfs/dbraw/zinc/11/72/06/979117206.db2.gz SWYACUJHSXUQNL-UHFFFAOYSA-N 1 2 233.290 2.686 20 0 BFADLO CC1CC([N@H+](C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235681843 979119623 /nfs/dbraw/zinc/11/96/23/979119623.db2.gz FJMBDXGSZSCOTH-UHFFFAOYSA-N 1 2 247.317 2.932 20 0 BFADLO CC1CC([N@@H+](C)Cc2nc3ccc(F)cc3[nH]2)C1 ZINC001235681843 979119631 /nfs/dbraw/zinc/11/96/31/979119631.db2.gz FJMBDXGSZSCOTH-UHFFFAOYSA-N 1 2 247.317 2.932 20 0 BFADLO C/C(=C\c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001341626675 979497131 /nfs/dbraw/zinc/49/71/31/979497131.db2.gz YBUFGWZBRJCQEC-PKNBQFBNSA-N 1 2 243.310 2.692 20 0 BFADLO Nc1ccc(-c2ccnc(C(F)F)c2)c[nH+]1 ZINC001236312977 979520068 /nfs/dbraw/zinc/52/00/68/979520068.db2.gz CYHXHUZXLHIBAZ-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO Nc1ccc(-c2cccc3c2CC=C3)c[nH+]1 ZINC001236313674 979523308 /nfs/dbraw/zinc/52/33/08/979523308.db2.gz VCWCJGMDFPPVRU-UHFFFAOYSA-N 1 2 208.264 2.900 20 0 BFADLO COc1ccc(-c2ccc(N)[nH+]c2)c(C)c1C ZINC001236313727 979525708 /nfs/dbraw/zinc/52/57/08/979525708.db2.gz YSFZIBMHHUNIPX-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO Nc1ccc(-c2cc3cc[nH]c3c(F)c2)c[nH+]1 ZINC001236313701 979526209 /nfs/dbraw/zinc/52/62/09/979526209.db2.gz XFRSHMMIRWOANE-UHFFFAOYSA-N 1 2 227.242 2.951 20 0 BFADLO Cc1noc(C)c1Cc1ccc(C)[nH+]c1C ZINC001250067491 979563449 /nfs/dbraw/zinc/56/34/49/979563449.db2.gz BIPWWCRHZZCSFH-UHFFFAOYSA-N 1 2 216.284 2.894 20 0 BFADLO Cc1ccc(Nc2cc([C@@H](C)O)ccn2)c(C)[nH+]1 ZINC001203373899 979661317 /nfs/dbraw/zinc/66/13/17/979661317.db2.gz PRASLGMGSCBOPK-LLVKDONJSA-N 1 2 243.310 2.890 20 0 BFADLO Oc1cncc(-c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001236582244 979661951 /nfs/dbraw/zinc/66/19/51/979661951.db2.gz WFCKLPMWITYPOJ-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2cncc(O)c2)cc1 ZINC001236582508 979663406 /nfs/dbraw/zinc/66/34/06/979663406.db2.gz GUJBIFFEIBBLIG-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO Cc1ccc(Nc2cc([C@H](C)O)ccn2)c(C)[nH+]1 ZINC001203373901 979663549 /nfs/dbraw/zinc/66/35/49/979663549.db2.gz PRASLGMGSCBOPK-NSHDSACASA-N 1 2 243.310 2.890 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1Cl ZINC001236852581 979759544 /nfs/dbraw/zinc/75/95/44/979759544.db2.gz YPAWQRXEIHLLCM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1Cl ZINC001236852581 979759554 /nfs/dbraw/zinc/75/95/54/979759554.db2.gz YPAWQRXEIHLLCM-LLVKDONJSA-N 1 2 239.746 2.869 20 0 BFADLO CCn1nccc1Nc1cccc2[nH+]c(C)cn21 ZINC001205268633 979828641 /nfs/dbraw/zinc/82/86/41/979828641.db2.gz QLKUCZXJBCKWNH-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001237317210 979861995 /nfs/dbraw/zinc/86/19/95/979861995.db2.gz JTMOGHJKSKJLDV-LBPRGKRZSA-N 1 2 249.329 2.996 20 0 BFADLO Cc1cc(F)cc(C)c1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001237317210 979862000 /nfs/dbraw/zinc/86/20/00/979862000.db2.gz JTMOGHJKSKJLDV-LBPRGKRZSA-N 1 2 249.329 2.996 20 0 BFADLO C[C@@H]1CC[N@@H+]1Cc1ccncc1C(F)(F)F ZINC001237286222 979863666 /nfs/dbraw/zinc/86/36/66/979863666.db2.gz XVQPBGWITZMFEF-MRVPVSSYSA-N 1 2 230.233 2.695 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@H+](Cc2cc3ccccn3n2)C1 ZINC001237437853 979889075 /nfs/dbraw/zinc/88/90/75/979889075.db2.gz CLCBWBACPWHTII-FZMZJTMJSA-N 1 2 247.317 2.514 20 0 BFADLO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc3ccccn3n2)C1 ZINC001237437853 979889077 /nfs/dbraw/zinc/88/90/77/979889077.db2.gz CLCBWBACPWHTII-FZMZJTMJSA-N 1 2 247.317 2.514 20 0 BFADLO CC(C)c1cccc(C[NH+]2CC3(CCO3)C2)c1 ZINC001237461829 979904865 /nfs/dbraw/zinc/90/48/65/979904865.db2.gz LOQSBRMKLQRIHK-UHFFFAOYSA-N 1 2 231.339 2.785 20 0 BFADLO Cc1coc(C[NH+]2CC(c3ccccc3)C2)n1 ZINC001237650716 980006060 /nfs/dbraw/zinc/00/60/60/980006060.db2.gz XDRROZGZXMJDRA-UHFFFAOYSA-N 1 2 228.295 2.582 20 0 BFADLO COc1ccoc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001237863043 980099481 /nfs/dbraw/zinc/09/94/81/980099481.db2.gz IYLKNHCXZOLLCU-UHFFFAOYSA-N 1 2 243.253 2.519 20 0 BFADLO CC(C)CNc1nc2ccccc2n2c[nH+]cc12 ZINC001184579731 980105238 /nfs/dbraw/zinc/10/52/38/980105238.db2.gz DXZVOCBOQGMYLV-UHFFFAOYSA-N 1 2 240.310 2.950 20 0 BFADLO COc1ccoc1C[N@@H+]1CCc2sccc2C1 ZINC001237870583 980105300 /nfs/dbraw/zinc/10/53/00/980105300.db2.gz XTPTVKPDSLIOTR-UHFFFAOYSA-N 1 2 249.335 2.908 20 0 BFADLO COc1ccoc1C[N@H+]1CCc2sccc2C1 ZINC001237870583 980105308 /nfs/dbraw/zinc/10/53/08/980105308.db2.gz XTPTVKPDSLIOTR-UHFFFAOYSA-N 1 2 249.335 2.908 20 0 BFADLO COc1ccoc1C[N@H+](C)Cc1cccs1 ZINC001237865693 980105783 /nfs/dbraw/zinc/10/57/83/980105783.db2.gz BNSDDDMGJRRPFN-UHFFFAOYSA-N 1 2 237.324 2.982 20 0 BFADLO COc1ccoc1C[N@@H+](C)Cc1cccs1 ZINC001237865693 980105788 /nfs/dbraw/zinc/10/57/88/980105788.db2.gz BNSDDDMGJRRPFN-UHFFFAOYSA-N 1 2 237.324 2.982 20 0 BFADLO Clc1cncc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001238006094 980125698 /nfs/dbraw/zinc/12/56/98/980125698.db2.gz OVLUXRUWUWZWJE-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO Clc1cncc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001238006094 980125701 /nfs/dbraw/zinc/12/57/01/980125701.db2.gz OVLUXRUWUWZWJE-OCAPTIKFSA-N 1 2 243.137 2.840 20 0 BFADLO CCOc1cc(C[NH+]2CC(C)(OC)C2)ccc1C ZINC001238066360 980136768 /nfs/dbraw/zinc/13/67/68/980136768.db2.gz BBJAIPMTXQJIRO-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1C[C@@H]1COC(C)(C)O1 ZINC001250185576 980225165 /nfs/dbraw/zinc/22/51/65/980225165.db2.gz LTAWXERMLDGBDC-CQSZACIVSA-N 1 2 247.338 2.961 20 0 BFADLO C[C@H]1CCC[N@@H+]1Cc1c(F)ccnc1Cl ZINC001238224309 980228352 /nfs/dbraw/zinc/22/83/52/980228352.db2.gz GSTCVDACSFZYTO-QMMMGPOBSA-N 1 2 228.698 2.858 20 0 BFADLO C[C@H]1CCC[N@H+]1Cc1c(F)ccnc1Cl ZINC001238224309 980228364 /nfs/dbraw/zinc/22/83/64/980228364.db2.gz GSTCVDACSFZYTO-QMMMGPOBSA-N 1 2 228.698 2.858 20 0 BFADLO Cc1ccc(OC(C)C)cc1C[NH+]1CCOCC1 ZINC001238477252 980275439 /nfs/dbraw/zinc/27/54/39/980275439.db2.gz NIEDYNOKXZNFQN-UHFFFAOYSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1ncccc1Nc1cccc2[nH+]ccn21 ZINC001205338571 980277344 /nfs/dbraw/zinc/27/73/44/980277344.db2.gz FITCURFXKVPEIB-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001238558301 980292115 /nfs/dbraw/zinc/29/21/15/980292115.db2.gz WNPSNNOPETXTTK-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001238558301 980292129 /nfs/dbraw/zinc/29/21/29/980292129.db2.gz WNPSNNOPETXTTK-RYUDHWBXSA-N 1 2 237.730 2.622 20 0 BFADLO CCOc1cc(F)c(F)cc1C[NH+]1CCC1 ZINC001238657202 980305684 /nfs/dbraw/zinc/30/56/84/980305684.db2.gz KVSRKIYKBSYXOT-UHFFFAOYSA-N 1 2 227.254 2.569 20 0 BFADLO CSc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001238685991 980311153 /nfs/dbraw/zinc/31/11/53/980311153.db2.gz SGBOSYRUTGCZCG-STQMWFEESA-N 1 2 249.379 2.690 20 0 BFADLO CSc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@H]2CO3)c1 ZINC001238685991 980311161 /nfs/dbraw/zinc/31/11/61/980311161.db2.gz SGBOSYRUTGCZCG-STQMWFEESA-N 1 2 249.379 2.690 20 0 BFADLO CC(C)Oc1cc(C[N@@H+]2CC[C@H]2C)c(F)cn1 ZINC001238794343 980326111 /nfs/dbraw/zinc/32/61/11/980326111.db2.gz PRNPWHPPJRBNHR-SNVBAGLBSA-N 1 2 238.306 2.602 20 0 BFADLO CC(C)Oc1cc(C[N@H+]2CC[C@H]2C)c(F)cn1 ZINC001238794343 980326118 /nfs/dbraw/zinc/32/61/18/980326118.db2.gz PRNPWHPPJRBNHR-SNVBAGLBSA-N 1 2 238.306 2.602 20 0 BFADLO CCOc1cc(C)c(-c2cc[nH+]c(NC)c2)cn1 ZINC001238977070 980401598 /nfs/dbraw/zinc/40/15/98/980401598.db2.gz BAWBRPYFCBIJMZ-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO OCCc1cccc(-c2cccc3[nH+]ccn32)c1 ZINC001239029839 980415715 /nfs/dbraw/zinc/41/57/15/980415715.db2.gz HXXOQQDNJGUCPR-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO COc1cnc(F)cc1-c1cccc2[nH+]ccn21 ZINC001239031302 980417698 /nfs/dbraw/zinc/41/76/98/980417698.db2.gz NGORSGFEVACOMX-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO CC(C)(O)/C=C/c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001239160289 980473513 /nfs/dbraw/zinc/47/35/13/980473513.db2.gz CPRYXZYOOUDBII-AATRIKPKSA-N 1 2 246.285 2.796 20 0 BFADLO Cc1c[nH+]c(C)c(-n2ccc(N)c3ccnc2-3)c1 ZINC001203654619 980476885 /nfs/dbraw/zinc/47/68/85/980476885.db2.gz NEFPMDTZZHWDNV-UHFFFAOYSA-N 1 2 238.294 2.571 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cc(F)ccn2)c1 ZINC001203654152 980478967 /nfs/dbraw/zinc/47/89/67/980478967.db2.gz FCABSAOZWXUQNI-UHFFFAOYSA-N 1 2 217.247 2.976 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2cnoc2)cc1 ZINC001239188281 980493281 /nfs/dbraw/zinc/49/32/81/980493281.db2.gz IMNVCNHHFKXMAP-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2cccc(N)c2O)c1 ZINC001203669098 980562639 /nfs/dbraw/zinc/56/26/39/980562639.db2.gz MUKXRQLDKXJMKA-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO C/C(=C\C(=O)OCC(C)(C)n1cc[nH+]c1)C1CC1 ZINC001345333467 980601775 /nfs/dbraw/zinc/60/17/75/980601775.db2.gz XEOYRKUESDFQJO-DHZHZOJOSA-N 1 2 248.326 2.518 20 0 BFADLO Cc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001239478276 980618856 /nfs/dbraw/zinc/61/88/56/980618856.db2.gz ZGTDFXJZKNXHJL-UHFFFAOYSA-N 1 2 209.252 2.885 20 0 BFADLO Cc1cccc(-c2ccn3cc(N)[nH+]c3c2)c1 ZINC001239489173 980644496 /nfs/dbraw/zinc/64/44/96/980644496.db2.gz KTJFKIYPJNTQKX-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO COc1ncc(-c2cccc3[nH+]ccn32)cc1F ZINC001239513082 980686020 /nfs/dbraw/zinc/68/60/20/980686020.db2.gz UOTBPIBKVAZZEA-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Fc1ccccc1-c1c[nH+]c2c(c1)CCCN2 ZINC001239554057 980732854 /nfs/dbraw/zinc/73/28/54/980732854.db2.gz KAZHHIZBQILVJO-UHFFFAOYSA-N 1 2 228.270 2.889 20 0 BFADLO c1cc(-c2cccc(CCn3cc[nH+]c3)c2)n[nH]1 ZINC001250315575 980743872 /nfs/dbraw/zinc/74/38/72/980743872.db2.gz PSTKWJIQRBUDIF-UHFFFAOYSA-N 1 2 238.294 2.516 20 0 BFADLO FC(F)(F)c1cncc(CCn2cc[nH+]c2)c1 ZINC001250315564 980756232 /nfs/dbraw/zinc/75/62/32/980756232.db2.gz PGNFTTKOXPOTES-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO Fc1cccc(F)c1-c1[nH+]ccc2c1CCN2 ZINC001239571488 980759327 /nfs/dbraw/zinc/75/93/27/980759327.db2.gz CWWACCXGQVWNTO-UHFFFAOYSA-N 1 2 232.233 2.995 20 0 BFADLO c1cn(CCc2cccc3ccoc32)c[nH+]1 ZINC001250320571 980762315 /nfs/dbraw/zinc/76/23/15/980762315.db2.gz PGMCKLRHQZMAPE-UHFFFAOYSA-N 1 2 212.252 2.872 20 0 BFADLO COc1ccc(-c2ccc(C)c(N)[nH+]2)cc1F ZINC001239577523 980767223 /nfs/dbraw/zinc/76/72/23/980767223.db2.gz PIQLUVXYYFSGCD-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO CCc1cn(Cc2ccn(C3CCCC3)n2)c[nH+]1 ZINC001190103070 980845902 /nfs/dbraw/zinc/84/59/02/980845902.db2.gz GDIFEQQFPPIPEX-UHFFFAOYSA-N 1 2 244.342 2.805 20 0 BFADLO CCc1cn(CC(=O)CCC2CCCC2)c[nH+]1 ZINC001190096104 980846057 /nfs/dbraw/zinc/84/60/57/980846057.db2.gz IESXRXQUALUDRE-UHFFFAOYSA-N 1 2 234.343 2.985 20 0 BFADLO CC(C)(COC(=O)C[C@H]1C=CCC1)n1cc[nH+]c1 ZINC001346624690 980871475 /nfs/dbraw/zinc/87/14/75/980871475.db2.gz YVXWGQBHHHSYGA-LBPRGKRZSA-N 1 2 248.326 2.518 20 0 BFADLO C[NH+](C)Cc1nnc(C(C2CCC2)C2CCC2)o1 ZINC001346662953 980878137 /nfs/dbraw/zinc/87/81/37/980878137.db2.gz RBJXAEAHPYOUCA-UHFFFAOYSA-N 1 2 249.358 2.815 20 0 BFADLO CC(=O)Nc1ccc(-c2c[nH+]c(N)c(C)c2)cc1 ZINC001239756377 980899327 /nfs/dbraw/zinc/89/93/27/980899327.db2.gz KMAWDLRWJHLZJG-UHFFFAOYSA-N 1 2 241.294 2.598 20 0 BFADLO c1cn2cccc(-c3ccc4c(c3)CCO4)c2[nH+]1 ZINC001239805023 980942218 /nfs/dbraw/zinc/94/22/18/980942218.db2.gz SFKIDJZMVHPTGB-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO CCc1[nH+]ccc(C)c1Nc1cnoc1 ZINC001203237076 981032968 /nfs/dbraw/zinc/03/29/68/981032968.db2.gz RAFHUFOHMPCYJQ-UHFFFAOYSA-N 1 2 203.245 2.684 20 0 BFADLO COCc1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001239936985 981049479 /nfs/dbraw/zinc/04/94/79/981049479.db2.gz RFVJBTZMUWWPAF-UHFFFAOYSA-N 1 2 242.322 2.961 20 0 BFADLO CCCc1[nH+]c2cc(OC)ccc2n1C ZINC001250426322 981061336 /nfs/dbraw/zinc/06/13/36/981061336.db2.gz SEGZRYHIDIFRTF-UHFFFAOYSA-N 1 2 204.273 2.534 20 0 BFADLO Cc1nn(C)c(C)c1-c1cn2cc[nH+]c2cc1C ZINC001240145541 981146198 /nfs/dbraw/zinc/14/61/98/981146198.db2.gz QTRHOASJCDVNCO-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1nn(C)c(C)c1-c1cc(C)c2[nH+]ccn2c1 ZINC001240145871 981146678 /nfs/dbraw/zinc/14/66/78/981146678.db2.gz VWGRCORSHVVHFA-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)nc1F ZINC001240213693 981160933 /nfs/dbraw/zinc/16/09/33/981160933.db2.gz AVJGVXJKSLEGJR-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2cc(-c3nncc4ccccc43)ccc2[nH+]1 ZINC001240215267 981164266 /nfs/dbraw/zinc/16/42/66/981164266.db2.gz WLKJRGLMWVFMRQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Fc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240215835 981164751 /nfs/dbraw/zinc/16/47/51/981164751.db2.gz WVIIMRABFROHGY-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO CC(C)n1cc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240217169 981166640 /nfs/dbraw/zinc/16/66/40/981166640.db2.gz FKDPSSLRYCHEEV-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO Fc1cnc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001240217392 981167472 /nfs/dbraw/zinc/16/74/72/981167472.db2.gz BEULJAWRRMAOOY-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO c1cn2cc(-c3ccc4cnncc4c3)ccc2[nH+]1 ZINC001240217396 981167520 /nfs/dbraw/zinc/16/75/20/981167520.db2.gz BITKSVKFMHMNHQ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cc(-c3cccc4nccnc43)ccc2[nH+]1 ZINC001240217985 981167550 /nfs/dbraw/zinc/16/75/50/981167550.db2.gz VBEQFYXASFJPJI-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cn1ccc2ccnc(-c3ccc4[nH+]ccn4c3)c21 ZINC001240217847 981167706 /nfs/dbraw/zinc/16/77/06/981167706.db2.gz YABDSGAXTKVUNQ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1c(N)cccc1-c1ccc2[nH+]ccn2c1 ZINC001240218680 981169139 /nfs/dbraw/zinc/16/91/39/981169139.db2.gz JTBCKWAWHZXOLQ-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Fc1ccc(-c2ccc3[nH+]ccn3c2)c(F)n1 ZINC001240219632 981169168 /nfs/dbraw/zinc/16/91/68/981169168.db2.gz QRINWZSBKSOTLT-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO Nc1ccc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001240219007 981170745 /nfs/dbraw/zinc/17/07/45/981170745.db2.gz URJKFMSXBABJCQ-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO c1cc(CNc2cccc[nH+]2)n(C2CC2)c1 ZINC001347781539 981171167 /nfs/dbraw/zinc/17/11/67/981171167.db2.gz GBXNLIGLYQADFK-UHFFFAOYSA-N 1 2 213.284 2.830 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)cnc1F ZINC001240218785 981171583 /nfs/dbraw/zinc/17/15/83/981171583.db2.gz ZGVWTTSSSUWTKR-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO Cc1nc2[nH]cnc2cc1-c1ccc2[nH+]ccn2c1 ZINC001240219406 981171717 /nfs/dbraw/zinc/17/17/17/981171717.db2.gz KXSGXUJOYRDDRI-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO Cc1cc(-c2cncc(F)c2)c2[nH+]ccn2c1 ZINC001240234713 981193148 /nfs/dbraw/zinc/19/31/48/981193148.db2.gz KSYCLNZZADYUMG-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCc1ccc(N(C)Cc2ccoc2)[nH+]c1 ZINC001347943936 981224388 /nfs/dbraw/zinc/22/43/88/981224388.db2.gz CCZCXPSRYRJBGN-UHFFFAOYSA-N 1 2 216.284 2.873 20 0 BFADLO Nc1cc(-c2cccc(-n3cccn3)c2)cc[nH+]1 ZINC001240246989 981225966 /nfs/dbraw/zinc/22/59/66/981225966.db2.gz JWOAMECXWWAQON-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO c1ccc(N2CCC[C@@H]2C2CCC2)[nH+]c1 ZINC001347981642 981233733 /nfs/dbraw/zinc/23/37/33/981233733.db2.gz WLSWNHASNSAWRX-GFCCVEGCSA-N 1 2 202.301 2.851 20 0 BFADLO CCc1ccc(N2CCC(COC)CC2)[nH+]c1 ZINC001347989724 981237143 /nfs/dbraw/zinc/23/71/43/981237143.db2.gz GTEVHAJMMRYYLR-UHFFFAOYSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1cc(F)cc(N2CCC3(CCC3)C2)[nH+]1 ZINC001348030955 981253987 /nfs/dbraw/zinc/25/39/87/981253987.db2.gz AMJOXGVUJWLBNU-UHFFFAOYSA-N 1 2 220.291 2.910 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2ncsc2c1 ZINC001240344100 981306432 /nfs/dbraw/zinc/30/64/32/981306432.db2.gz AEQOAGFSBWOBCN-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO CC(C)OC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001193446328 981320076 /nfs/dbraw/zinc/32/00/76/981320076.db2.gz QFAGVQNINMRVKC-UHFFFAOYSA-N 1 2 245.282 2.829 20 0 BFADLO CC(C)OC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001193446164 981320403 /nfs/dbraw/zinc/32/04/03/981320403.db2.gz KKXWDQJVWJGZMY-UHFFFAOYSA-N 1 2 245.282 2.829 20 0 BFADLO Cc1[nH]c(CNc2cc(C(C)C)ncn2)[nH+]c1C ZINC001348312297 981332891 /nfs/dbraw/zinc/33/28/91/981332891.db2.gz QOSLXPYACQTUPG-UHFFFAOYSA-N 1 2 245.330 2.552 20 0 BFADLO Cc1cc(-c2ccnc3[nH]ccc32)c[nH+]c1N ZINC001240413464 981363828 /nfs/dbraw/zinc/36/38/28/981363828.db2.gz IVGVOMHAXSZLBG-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCCCOC(=O)Nc1cccc2[nH+]ccn21 ZINC001193659175 981402008 /nfs/dbraw/zinc/40/20/08/981402008.db2.gz UCYGIVOKVLSYKH-UHFFFAOYSA-N 1 2 233.271 2.683 20 0 BFADLO CCCc1cnc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240495936 981415947 /nfs/dbraw/zinc/41/59/47/981415947.db2.gz AUFCYAKUIBNHMY-UHFFFAOYSA-N 1 2 238.294 2.744 20 0 BFADLO Cc1ccc(F)c(-c2ccn3cc[nH+]c3c2)n1 ZINC001240496459 981418222 /nfs/dbraw/zinc/41/82/22/981418222.db2.gz OTORJCLFBQJGQC-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO c1cn2ccc(-c3ccc4c(n3)CCC4)cc2[nH+]1 ZINC001240496210 981418231 /nfs/dbraw/zinc/41/82/31/981418231.db2.gz IFJKEASOUKNJAZ-UHFFFAOYSA-N 1 2 235.290 2.885 20 0 BFADLO c1cc2ccnc(-c3ccn4cc[nH+]c4c3)c2[nH]1 ZINC001240497321 981419327 /nfs/dbraw/zinc/41/93/27/981419327.db2.gz WPXJQAXNIGKHKF-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2ccc(-c3cccc4[nH]cnc43)cc2[nH+]1 ZINC001240503168 981430262 /nfs/dbraw/zinc/43/02/62/981430262.db2.gz IPAPMLORMVBNRT-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1nc(C)c(-c2ccn3cc[nH+]c3c2)nc1C ZINC001240503185 981430730 /nfs/dbraw/zinc/43/07/30/981430730.db2.gz JLIYGRJIMGVXMU-UHFFFAOYSA-N 1 2 238.294 2.717 20 0 BFADLO c1cn2ccc(-c3cccc4c3CCN4)cc2[nH+]1 ZINC001240504095 981430840 /nfs/dbraw/zinc/43/08/40/981430840.db2.gz YFYCSXXJJKDGHT-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO COc1ncc(F)cc1-c1ccn2cc[nH+]c2c1 ZINC001240508519 981431475 /nfs/dbraw/zinc/43/14/75/981431475.db2.gz ARRIGINGISIWJB-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cn2ccc(-c3cccc4[nH+]ccn43)cc2n1 ZINC001240508692 981433183 /nfs/dbraw/zinc/43/31/83/981433183.db2.gz JAARUYCONUEIHP-UHFFFAOYSA-N 1 2 234.262 2.649 20 0 BFADLO Fc1cc(F)c(-c2ccn3cc[nH+]c3c2)nc1F ZINC001240509439 981433333 /nfs/dbraw/zinc/43/33/33/981433333.db2.gz ZEEFFCUHQNNSBN-UHFFFAOYSA-N 1 2 249.195 2.814 20 0 BFADLO c1cn2ccc(-c3cnc4c(c3)CCC4)cc2[nH+]1 ZINC001240508833 981434517 /nfs/dbraw/zinc/43/45/17/981434517.db2.gz LQOYAJOLISDVJR-UHFFFAOYSA-N 1 2 235.290 2.885 20 0 BFADLO c1cn2ccc(-c3ccc4c(c3)OCC4)cc2[nH+]1 ZINC001240510580 981435415 /nfs/dbraw/zinc/43/54/15/981435415.db2.gz ODXHJIJGHZUIDE-UHFFFAOYSA-N 1 2 236.274 2.936 20 0 BFADLO COc1cnc(C)c(-c2ccn3cc[nH+]c3c2)c1 ZINC001240510442 981435608 /nfs/dbraw/zinc/43/56/08/981435608.db2.gz KEFOEQYQSGROFU-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO c1cn2ccc(-c3cnc4ncccc4c3)cc2[nH+]1 ZINC001240511029 981435687 /nfs/dbraw/zinc/43/56/87/981435687.db2.gz ZIYHMACMCHKOSH-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2ccc(-c3cccc4c3NCC4)cc2[nH+]1 ZINC001240510813 981436845 /nfs/dbraw/zinc/43/68/45/981436845.db2.gz STHAOUZQGKSHCZ-UHFFFAOYSA-N 1 2 235.290 2.969 20 0 BFADLO c1cn2ccc(-c3ccnc4ncccc43)cc2[nH+]1 ZINC001240513190 981438517 /nfs/dbraw/zinc/43/85/17/981438517.db2.gz KQMGZWMITLTOAZ-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1n[nH]cc1-c1ccc(-c2c[nH+]cn2C)cc1 ZINC001240521539 981453656 /nfs/dbraw/zinc/45/36/56/981453656.db2.gz QCSJXTBWHCLSBP-UHFFFAOYSA-N 1 2 238.294 2.786 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(N2CCCC2)c1 ZINC001240536382 981467723 /nfs/dbraw/zinc/46/77/23/981467723.db2.gz PUBYPHNXYKBARS-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO Cc1ccc(-c2ccc3c[nH]nc3c2)[nH+]c1N ZINC001240554720 981475292 /nfs/dbraw/zinc/47/52/92/981475292.db2.gz RHWGAFHQDYHEBS-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO c1cn2c(cccc2-c2ccc3c[nH]nc3c2)[nH+]1 ZINC001240557066 981477426 /nfs/dbraw/zinc/47/74/26/981477426.db2.gz LZZHXKYXLFIXCQ-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Nc1[nH+]cccc1-c1cccc(-c2cc[nH]n2)c1 ZINC001240562061 981480325 /nfs/dbraw/zinc/48/03/25/981480325.db2.gz RWQKWVZUEZAMII-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO CC(C)=Cc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001240632919 981523179 /nfs/dbraw/zinc/52/31/79/981523179.db2.gz QUPDGCWQMBTPQN-UHFFFAOYSA-N 1 2 228.299 2.702 20 0 BFADLO CCn1nccc1-c1ccc(-n2cc[nH+]c2)cc1 ZINC001240699588 981625745 /nfs/dbraw/zinc/62/57/45/981625745.db2.gz HNKCPKVOZHPLNG-UHFFFAOYSA-N 1 2 238.294 2.756 20 0 BFADLO Cc1cc(-c2ccn3cc[nH+]c3c2)ccn1 ZINC001240716354 981683428 /nfs/dbraw/zinc/68/34/28/981683428.db2.gz CFYYUEOVZHKCNC-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO COc1cc2[nH+]c[nH]c2cc1-c1ccnc(C)c1 ZINC001240717045 981731537 /nfs/dbraw/zinc/73/15/37/981731537.db2.gz PCZNVQNCPUZNLC-UHFFFAOYSA-N 1 2 239.278 2.942 20 0 BFADLO Cc1ncccc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001240725175 981761612 /nfs/dbraw/zinc/76/16/12/981761612.db2.gz QGPPBAWKVURYHW-UHFFFAOYSA-N 1 2 236.278 2.638 20 0 BFADLO CNc1cc(-c2ccc(O)c(F)c2)cc[nH+]1 ZINC001240787491 981832318 /nfs/dbraw/zinc/83/23/18/981832318.db2.gz HKJQZBROAYUZIK-UHFFFAOYSA-N 1 2 218.231 2.635 20 0 BFADLO Cc1cncc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240805566 981857438 /nfs/dbraw/zinc/85/74/38/981857438.db2.gz NCSFUJCBXNZZHT-UHFFFAOYSA-N 1 2 209.252 2.705 20 0 BFADLO C=Cc1ccc(-c2nc3c(o2)CC[N@@H+](C)C3)cc1 ZINC001240830864 981871483 /nfs/dbraw/zinc/87/14/83/981871483.db2.gz LCVXNRUABIUPAE-UHFFFAOYSA-N 1 2 240.306 2.973 20 0 BFADLO C=Cc1ccc(-c2nc3c(o2)CC[N@H+](C)C3)cc1 ZINC001240830864 981871492 /nfs/dbraw/zinc/87/14/92/981871492.db2.gz LCVXNRUABIUPAE-UHFFFAOYSA-N 1 2 240.306 2.973 20 0 BFADLO CCOc1ccc2[nH]c(CC(C)(C)OC)[nH+]c2c1 ZINC001250613350 982009121 /nfs/dbraw/zinc/00/91/21/982009121.db2.gz MUQHSACDLRBUDV-UHFFFAOYSA-N 1 2 248.326 2.929 20 0 BFADLO COCc1ccc(-c2ccc(C)c(N)[nH+]2)cc1 ZINC001240949907 982018030 /nfs/dbraw/zinc/01/80/30/982018030.db2.gz GLKFYTWMDQGILP-UHFFFAOYSA-N 1 2 228.295 2.786 20 0 BFADLO Cc1c[nH]c2ncc(-c3c[nH+]c(N)c(C)c3)cc12 ZINC001240964858 982045439 /nfs/dbraw/zinc/04/54/39/982045439.db2.gz YFRPKXVQBQXKQX-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CN(C)c1cccc(-c2nc3[nH]ccc3c[nH+]2)c1 ZINC001240981717 982058956 /nfs/dbraw/zinc/05/89/56/982058956.db2.gz GQRIMUYFEOPCFO-UHFFFAOYSA-N 1 2 238.294 2.643 20 0 BFADLO COc1cccc(F)c1-c1c[nH+]c(N)c(C)c1 ZINC001241013182 982107341 /nfs/dbraw/zinc/10/73/41/982107341.db2.gz PWZJVPUHCJENFL-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO Cc1ccc(N[C@@H](C)c2ncco2)c(C)[nH+]1 ZINC001350956757 982139443 /nfs/dbraw/zinc/13/94/43/982139443.db2.gz ODVFUTYEVXXREM-JTQLQIEISA-N 1 2 217.272 2.860 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(O)c1 ZINC001241043969 982144859 /nfs/dbraw/zinc/14/48/59/982144859.db2.gz WOBYTACPUPLBEZ-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO Oc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001241062743 982170274 /nfs/dbraw/zinc/17/02/74/982170274.db2.gz XXKUTJNXGAOWJB-UHFFFAOYSA-N 1 2 210.236 2.707 20 0 BFADLO Cc1cn2c(cccc2-c2ccccc2N)[nH+]1 ZINC001241066425 982183586 /nfs/dbraw/zinc/18/35/86/982183586.db2.gz JTFFWNGMNZZZSD-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO c1n[nH]c(C[NH2+]C(C2CCCC2)C2CCCC2)n1 ZINC001351220373 982236552 /nfs/dbraw/zinc/23/65/52/982236552.db2.gz LYUFTHQEPJDANY-UHFFFAOYSA-N 1 2 248.374 2.643 20 0 BFADLO CC(C)Oc1cc(-c2cc[nH+]c(N)c2)ccn1 ZINC001241164223 982308399 /nfs/dbraw/zinc/30/83/99/982308399.db2.gz ZPGFMWHSSVETEX-UHFFFAOYSA-N 1 2 229.283 2.513 20 0 BFADLO Cc1cc(-c2cc[nH+]c(N)c2)cnc1OC(C)C ZINC001241169620 982314706 /nfs/dbraw/zinc/31/47/06/982314706.db2.gz IIYPDDVYKLVSPE-UHFFFAOYSA-N 1 2 243.310 2.821 20 0 BFADLO Nc1cc(-c2ccnc(OCC3CC3)c2)cc[nH+]1 ZINC001241170664 982315341 /nfs/dbraw/zinc/31/53/41/982315341.db2.gz VIUTXSGYQLBYTH-UHFFFAOYSA-N 1 2 241.294 2.515 20 0 BFADLO CCOC(=O)c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241170493 982317371 /nfs/dbraw/zinc/31/73/71/982317371.db2.gz KUZHCZHUOOJHLO-UHFFFAOYSA-N 1 2 242.278 2.508 20 0 BFADLO Cc1noc2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001241170215 982317958 /nfs/dbraw/zinc/31/79/58/982317958.db2.gz XWEBISSIPRMZPA-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Nc1cc(-c2ccc3csnc3c2)cc[nH+]1 ZINC001241170554 982319403 /nfs/dbraw/zinc/31/94/03/982319403.db2.gz NTTPADJSUHDEII-UHFFFAOYSA-N 1 2 227.292 2.941 20 0 BFADLO COc1c(F)c(C)ccc1-c1cc[nH+]c(N)c1 ZINC001241175678 982324644 /nfs/dbraw/zinc/32/46/44/982324644.db2.gz JRTOOULASQHQEJ-UHFFFAOYSA-N 1 2 232.258 2.787 20 0 BFADLO c1nocc1Nc1cccc2cc[nH+]cc21 ZINC001203240238 982328972 /nfs/dbraw/zinc/32/89/72/982328972.db2.gz OPXSMGCGUGCOHH-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO CC[C@@H](F)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC001351554318 982332042 /nfs/dbraw/zinc/33/20/42/982332042.db2.gz GGRNCGCXWANSBK-SNVBAGLBSA-N 1 2 224.279 2.693 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)nc1F ZINC001241227879 982377514 /nfs/dbraw/zinc/37/75/14/982377514.db2.gz FMTDKNQYHLZFGC-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1cnc(-c2c[nH+]c(N(C)C)cc2C)c(C)n1 ZINC001241228860 982379572 /nfs/dbraw/zinc/37/95/72/982379572.db2.gz UMNFDBOEHNVPID-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO Cc1cnc(-c2c[nH+]c(N(C)C)cc2C)c(F)c1 ZINC001241228788 982380147 /nfs/dbraw/zinc/38/01/47/982380147.db2.gz QBGKHYITBMPBAD-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO COc1ccnc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241228409 982381184 /nfs/dbraw/zinc/38/11/84/982381184.db2.gz LQNIWXFGEMILML-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO COc1cccc(-c2c[nH+]c(N(C)C)cc2C)n1 ZINC001241229149 982381458 /nfs/dbraw/zinc/38/14/58/982381458.db2.gz YKVQXEYJTBJLEU-UHFFFAOYSA-N 1 2 243.310 2.527 20 0 BFADLO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)nnc1C ZINC001241234998 982385646 /nfs/dbraw/zinc/38/56/46/982385646.db2.gz IMDLXOJAQWBUJC-UHFFFAOYSA-N 1 2 242.326 2.530 20 0 BFADLO CCOc1ccc(OC)cc1-c1ccc[nH+]c1N ZINC001241238429 982385838 /nfs/dbraw/zinc/38/58/38/982385838.db2.gz HPGQCXDAVUURSX-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO Cc1ccnc(-c2c[nH+]c(N(C)C)cc2C)c1F ZINC001241233209 982386592 /nfs/dbraw/zinc/38/65/92/982386592.db2.gz JFMNLJZAESEBOF-UHFFFAOYSA-N 1 2 245.301 2.966 20 0 BFADLO Cc1c(N)cc[nH+]c1-c1c(F)ccc(O)c1F ZINC001241290732 982423786 /nfs/dbraw/zinc/42/37/86/982423786.db2.gz CGTXCFAPOYOWCX-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CCC2)n1)[C@H](C)O ZINC001352052562 982449777 /nfs/dbraw/zinc/44/97/77/982449777.db2.gz QSLHFSDSHZSMAN-CMPLNLGQSA-N 1 2 249.358 2.624 20 0 BFADLO CNc1cc(-c2ccccc2[S@](C)=O)cc[nH+]1 ZINC001241342646 982504265 /nfs/dbraw/zinc/50/42/65/982504265.db2.gz PASUXLFOMLNQHF-KRWDZBQOSA-N 1 2 246.335 2.528 20 0 BFADLO c1cn2c(cccc2-c2cnc3cccnc3c2)[nH+]1 ZINC001241382753 982542395 /nfs/dbraw/zinc/54/23/95/982542395.db2.gz GUJUOWROAIGZPD-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO c1cn2cccc(-c3ccc4nccnc4c3)c2[nH+]1 ZINC001241490728 982642461 /nfs/dbraw/zinc/64/24/61/982642461.db2.gz KZXPNVBKAUGERB-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc2nccnc2c1 ZINC001241493516 982643285 /nfs/dbraw/zinc/64/32/85/982643285.db2.gz DYNMAIGMPAWQMR-ZRSOPRJESA-N 1 2 211.268 2.506 20 0 BFADLO Cc1cn2cc(-c3ccc(N)cc3)ccc2[nH+]1 ZINC001241542532 982736506 /nfs/dbraw/zinc/73/65/06/982736506.db2.gz KJUNNHHXDGVRPY-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO CC(C)(C)/C=C/c1cc[nH+]c(N2CCOCC2)c1 ZINC001241563308 982794961 /nfs/dbraw/zinc/79/49/61/982794961.db2.gz CSFVSFVDMOUKSR-GQCTYLIASA-N 1 2 246.354 2.978 20 0 BFADLO Cn1cc2c(cccc2-c2ccn3cc[nH+]c3c2)n1 ZINC001241584537 982832011 /nfs/dbraw/zinc/83/20/11/982832011.db2.gz YMGCHZQCCABRBP-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1n[nH]c2cc(-c3c[nH+]c(N)c(C)c3)ccc12 ZINC001241640030 982877314 /nfs/dbraw/zinc/87/73/14/982877314.db2.gz NTUQCYJEKQTYEB-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CC(=CC=C[NH3+])c1ccc2[nH]nc(C)c2c1 ZINC001241669311 982912656 /nfs/dbraw/zinc/91/26/56/982912656.db2.gz WDNJQQKIJJBZTN-DDEWIXKASA-N 1 2 213.284 2.747 20 0 BFADLO Nc1[nH]c2ccc(-c3ccc4nc[nH]c4c3)cc2[nH+]1 ZINC001241697659 982953890 /nfs/dbraw/zinc/95/38/90/982953890.db2.gz HXCDTJBNWUWRMO-UHFFFAOYSA-N 1 2 249.277 2.688 20 0 BFADLO CCCOc1ccc(-c2c[nH+]cn2C)cc1 ZINC001241741491 983026969 /nfs/dbraw/zinc/02/69/69/983026969.db2.gz FEIGFOGBSKUUKW-UHFFFAOYSA-N 1 2 216.284 2.876 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3cccc(C)c3C2)n(C)n1 ZINC001205881305 983067648 /nfs/dbraw/zinc/06/76/48/983067648.db2.gz GQCLQQRBVOYQNF-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1cc(C[N@H+]2Cc3cccc(C)c3C2)n(C)n1 ZINC001205881305 983067658 /nfs/dbraw/zinc/06/76/58/983067658.db2.gz GQCLQQRBVOYQNF-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO c1cn(-c2ccc(-c3cscn3)cc2)c[nH+]1 ZINC001241890594 983106123 /nfs/dbraw/zinc/10/61/23/983106123.db2.gz HGLYKACSTXXDCU-UHFFFAOYSA-N 1 2 227.292 2.996 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cscn2)c1 ZINC001241892260 983109528 /nfs/dbraw/zinc/10/95/28/983109528.db2.gz CMKMVEJLLHVLOS-UHFFFAOYSA-N 1 2 218.281 2.782 20 0 BFADLO CCC1(CC)CCN(c2nccn3c[nH+]cc23)C1 ZINC001354041677 983123388 /nfs/dbraw/zinc/12/33/88/983123388.db2.gz RMUTYLGKPKXVPR-UHFFFAOYSA-N 1 2 244.342 2.746 20 0 BFADLO Cc1cc2[nH]ccc2c(-c2ccc3nn[nH]c3c2)[nH+]1 ZINC001241938572 983151781 /nfs/dbraw/zinc/15/17/81/983151781.db2.gz PIDGQGKWIUIWED-UHFFFAOYSA-N 1 2 249.277 2.810 20 0 BFADLO Cc1cc2[nH]ccc2c(-c2ccc3[nH]nnc3c2)[nH+]1 ZINC001241938572 983151788 /nfs/dbraw/zinc/15/17/88/983151788.db2.gz PIDGQGKWIUIWED-UHFFFAOYSA-N 1 2 249.277 2.810 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1ccc2n[nH]nc2c1 ZINC001241940485 983156429 /nfs/dbraw/zinc/15/64/29/983156429.db2.gz HWYYVSKLCYLOLQ-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO CCOC[C@H]1CCN(c2ccc(CC)c[nH+]2)C1 ZINC001354120241 983162275 /nfs/dbraw/zinc/16/22/75/983162275.db2.gz KXPSXCKIGHDVKW-ZDUSSCGKSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1cc(C)c(O)c(Nc2ccc(N)[nH+]c2)c1 ZINC001201287080 983166943 /nfs/dbraw/zinc/16/69/43/983166943.db2.gz RZKOHIXBWDZGAA-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO Nc1ccc(Nc2cc(Cl)cc(CO)c2)c[nH+]1 ZINC001201292150 983169808 /nfs/dbraw/zinc/16/98/08/983169808.db2.gz KKNHEWRFQPLGBR-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO Cc1c(Cl)cc(N)cc1Nc1ccc(N)[nH+]c1 ZINC001201291871 983170159 /nfs/dbraw/zinc/17/01/59/983170159.db2.gz HHKIRACGQMJDOK-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO Cc1nc(Cl)ccc1Nc1ccc(N)[nH+]c1 ZINC001201276601 983177429 /nfs/dbraw/zinc/17/74/29/983177429.db2.gz XHUYYNHXPVYGIM-UHFFFAOYSA-N 1 2 234.690 2.764 20 0 BFADLO Cc1cnn(C2CCC2)c1Nc1ccc(N)[nH+]c1 ZINC001201278840 983178714 /nfs/dbraw/zinc/17/87/14/983178714.db2.gz HOARCLRQJZRBSE-UHFFFAOYSA-N 1 2 243.314 2.637 20 0 BFADLO Nc1ccc(Nc2cccc3c2CCCO3)c[nH+]1 ZINC001201300428 983181540 /nfs/dbraw/zinc/18/15/40/983181540.db2.gz QKDFLVFOWHDPCF-UHFFFAOYSA-N 1 2 241.294 2.732 20 0 BFADLO Nc1ccc(Nc2cccc3cnoc32)c[nH+]1 ZINC001201294476 983181682 /nfs/dbraw/zinc/18/16/82/983181682.db2.gz ACLWUBCCZCNIMK-UHFFFAOYSA-N 1 2 226.239 2.549 20 0 BFADLO Cc1cc(-c2ccc3nonc3c2)cc(C)[nH+]1 ZINC001241992728 983188046 /nfs/dbraw/zinc/18/80/46/983188046.db2.gz XZFHOIKIQIQXFG-UHFFFAOYSA-N 1 2 225.251 2.902 20 0 BFADLO COc1cccc2[nH]c(-c3ccc[nH+]c3N)cc21 ZINC001241998341 983190110 /nfs/dbraw/zinc/19/01/10/983190110.db2.gz NQRBIWVGYDUQAI-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO COCOc1ccc(-c2[nH]cc[nH+]2)c(C)c1C ZINC001242018519 983220281 /nfs/dbraw/zinc/22/02/81/983220281.db2.gz JNFYRWVFBHJIFS-UHFFFAOYSA-N 1 2 232.283 2.676 20 0 BFADLO Cc1nc(NCCC(F)F)c2c([nH+]1)CCCC2 ZINC001354402372 983301207 /nfs/dbraw/zinc/30/12/07/983301207.db2.gz WHONTCRURRPPGA-UHFFFAOYSA-N 1 2 241.285 2.731 20 0 BFADLO Cc1cc2cc[nH]c2c(-c2c[nH+]c(N)cc2C)n1 ZINC001242073201 983310191 /nfs/dbraw/zinc/31/01/91/983310191.db2.gz ZYURFIZZSPYKCL-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1noc(C)c1-c1cccc2[nH+]ccn21 ZINC001242106016 983351007 /nfs/dbraw/zinc/35/10/07/983351007.db2.gz JYKKRXSYXDNGSB-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO Cc1noc(C)c1-c1ccc2[nH+]ccn2c1C ZINC001242109504 983359236 /nfs/dbraw/zinc/35/92/36/983359236.db2.gz MZVLTMFGIYJFTL-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO CC1=C(C(=O)Nc2c(C)c[nH+]cc2C)CCC1 ZINC001355033915 983398296 /nfs/dbraw/zinc/39/82/96/983398296.db2.gz BHJSKJZAQZDQPI-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO CCCC[N@@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201700624 983413603 /nfs/dbraw/zinc/41/36/03/983413603.db2.gz UTZOQNXMOBTJOE-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO CCCC[N@H+]1CC[C@H](CF)C(F)(F)C1 ZINC001201700624 983413609 /nfs/dbraw/zinc/41/36/09/983413609.db2.gz UTZOQNXMOBTJOE-SECBINFHSA-N 1 2 209.255 2.713 20 0 BFADLO CCCCN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001201723298 983429206 /nfs/dbraw/zinc/42/92/06/983429206.db2.gz WOXISZHMHDZIFB-LBPRGKRZSA-N 1 2 246.345 2.592 20 0 BFADLO Nc1[nH+]cccc1C1=CCC(F)(F)CC1 ZINC001242233618 983434081 /nfs/dbraw/zinc/43/40/81/983434081.db2.gz PZNDGZAYEVMIIK-UHFFFAOYSA-N 1 2 210.227 2.866 20 0 BFADLO CCCCCC[N@@H+]1CC(F)(F)CC[C@H]1CO ZINC001201743138 983445826 /nfs/dbraw/zinc/44/58/26/983445826.db2.gz KVHNDSNVDMBXML-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@H+]1CC(F)(F)CC[C@H]1CO ZINC001201743138 983445833 /nfs/dbraw/zinc/44/58/33/983445833.db2.gz KVHNDSNVDMBXML-NSHDSACASA-N 1 2 235.318 2.659 20 0 BFADLO CCCCCC[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201743221 983448500 /nfs/dbraw/zinc/44/85/00/983448500.db2.gz NGRJDCLHJIULDW-LLVKDONJSA-N 1 2 215.312 2.570 20 0 BFADLO CCCCCC[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001201743221 983448516 /nfs/dbraw/zinc/44/85/16/983448516.db2.gz NGRJDCLHJIULDW-LLVKDONJSA-N 1 2 215.312 2.570 20 0 BFADLO CCC/C=C/c1nc2c(ccn2C)c[nH+]1 ZINC001242251817 983469963 /nfs/dbraw/zinc/46/99/63/983469963.db2.gz SCZSJSLUJHYCGI-AATRIKPKSA-N 1 2 201.273 2.782 20 0 BFADLO Cc1cc(C)nc(CSCCn2cc[nH+]c2)c1 ZINC001356050324 983565157 /nfs/dbraw/zinc/56/51/57/983565157.db2.gz XERXOTHDLBPSJB-UHFFFAOYSA-N 1 2 247.367 2.828 20 0 BFADLO C[C@]1(F)CC[N@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308122 983619755 /nfs/dbraw/zinc/61/97/55/983619755.db2.gz SYOHETFRZSDEEB-YUMQZZPRSA-N 1 2 231.208 2.711 20 0 BFADLO C[C@]1(F)CC[N@@H+](CCC(F)(F)F)C[C@@H]1F ZINC001202308122 983619762 /nfs/dbraw/zinc/61/97/62/983619762.db2.gz SYOHETFRZSDEEB-YUMQZZPRSA-N 1 2 231.208 2.711 20 0 BFADLO C[C@@]1(F)CC[N@H+](CCC(F)(F)F)C[C@H]1F ZINC001202308119 983618953 /nfs/dbraw/zinc/61/89/53/983618953.db2.gz SYOHETFRZSDEEB-HTQZYQBOSA-N 1 2 231.208 2.711 20 0 BFADLO C[C@@]1(F)CC[N@@H+](CCC(F)(F)F)C[C@H]1F ZINC001202308119 983618964 /nfs/dbraw/zinc/61/89/64/983618964.db2.gz SYOHETFRZSDEEB-HTQZYQBOSA-N 1 2 231.208 2.711 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2ccc(C)cc2)n1C ZINC001202425434 983656043 /nfs/dbraw/zinc/65/60/43/983656043.db2.gz UCKTUMJRQUJLCE-UHFFFAOYSA-N 1 2 244.298 2.681 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1cccc(Cl)c1O ZINC001242366356 983656882 /nfs/dbraw/zinc/65/68/82/983656882.db2.gz WCYYARRZRBLLDB-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(Cl)c1O ZINC001242365912 983658531 /nfs/dbraw/zinc/65/85/31/983658531.db2.gz BFVNJZIYUITSIR-FCXRPNKRSA-N 1 2 209.676 2.921 20 0 BFADLO Cc1cc(-c2ccn3cc(N)[nH+]c3c2)c(C)o1 ZINC001242402511 983685884 /nfs/dbraw/zinc/68/58/84/983685884.db2.gz JOYWCVJYJOCWPQ-UHFFFAOYSA-N 1 2 227.267 2.793 20 0 BFADLO CC(=O)C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001473277394 983722608 /nfs/dbraw/zinc/72/26/08/983722608.db2.gz ZIOOOXORQSLFSM-UHFFFAOYSA-N 1 2 235.302 2.769 20 0 BFADLO CC(=O)C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001473277394 983722618 /nfs/dbraw/zinc/72/26/18/983722618.db2.gz ZIOOOXORQSLFSM-UHFFFAOYSA-N 1 2 235.302 2.769 20 0 BFADLO NC(Cc1cccs1)=[NH+]OCC1CC=CC1 ZINC000853666624 983767984 /nfs/dbraw/zinc/76/79/84/983767984.db2.gz KPVKMCGLVIAARM-UHFFFAOYSA-N 1 2 236.340 2.755 20 0 BFADLO Cc1cc(-c2ccc3ncncc3c2)c[nH+]c1N ZINC001242513095 983834765 /nfs/dbraw/zinc/83/47/65/983834765.db2.gz FJYNEHCZKYVUBJ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO OCc1ccc(-c2ccc3[nH+]ccn3c2)cc1F ZINC001242531647 983854633 /nfs/dbraw/zinc/85/46/33/983854633.db2.gz DEVOZVBCMSOJAX-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO Cc1cc(-c2cccc([C@@H](C)O)c2)c[nH+]c1N ZINC001242548307 983870311 /nfs/dbraw/zinc/87/03/11/983870311.db2.gz APJABWBSRHKYRV-SNVBAGLBSA-N 1 2 228.295 2.693 20 0 BFADLO CC(C)n1nccc1-c1cccc2[nH+]ccn21 ZINC001242556255 983878665 /nfs/dbraw/zinc/87/86/65/983878665.db2.gz DVVBTVYRLROVPK-UHFFFAOYSA-N 1 2 226.283 2.779 20 0 BFADLO CCC[C@H](O)CNc1c(C)cc[nH+]c1CC ZINC001252777726 983881667 /nfs/dbraw/zinc/88/16/67/983881667.db2.gz DGYQJOWDRDOFQE-NSHDSACASA-N 1 2 222.332 2.525 20 0 BFADLO CCCc1ncc(C[NH2+][C@@H](C)c2ccccn2)o1 ZINC001474520837 983906475 /nfs/dbraw/zinc/90/64/75/983906475.db2.gz KVLMSVBQKVFTHZ-NSHDSACASA-N 1 2 245.326 2.873 20 0 BFADLO Cc1oncc1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001242604097 983965528 /nfs/dbraw/zinc/96/55/28/983965528.db2.gz IMOCNAASNOPWAO-UHFFFAOYSA-N 1 2 243.241 2.975 20 0 BFADLO Cc1ccc(-c2ccc(C(C)(C)O)cc2)[nH+]c1N ZINC001242624619 984004259 /nfs/dbraw/zinc/00/42/59/984004259.db2.gz ULQNCEWOCMEMPL-UHFFFAOYSA-N 1 2 242.322 2.867 20 0 BFADLO C[C@@H](O)c1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1 ZINC001242641125 984010707 /nfs/dbraw/zinc/01/07/07/984010707.db2.gz CXOOHHYQFJSCOZ-SECBINFHSA-N 1 2 239.278 2.630 20 0 BFADLO Cc1c[nH+]c(Nc2cccc(=O)[nH]2)c(C)c1 ZINC001212787845 984019056 /nfs/dbraw/zinc/01/90/56/984019056.db2.gz RRNIZOPDPAITAO-UHFFFAOYSA-N 1 2 215.256 2.543 20 0 BFADLO Cc1ccc(CO)cc1-c1cc[nH+]c(N(C)C)c1 ZINC001242668000 984036082 /nfs/dbraw/zinc/03/60/82/984036082.db2.gz UCHDFYWSDBIRHS-UHFFFAOYSA-N 1 2 242.322 2.615 20 0 BFADLO Nc1[nH+]cccc1-c1ccccc1-n1cccn1 ZINC001242711483 984061486 /nfs/dbraw/zinc/06/14/86/984061486.db2.gz PVTJOOWRWNLWDF-UHFFFAOYSA-N 1 2 236.278 2.517 20 0 BFADLO COc1c(F)cc(F)cc1-c1ccc[nH+]c1N ZINC001242809058 984178409 /nfs/dbraw/zinc/17/84/09/984178409.db2.gz UAAQMQVZBIBUFU-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO CCCn1nccc1-c1cn2cc[nH+]c2cc1C ZINC001242844187 984193036 /nfs/dbraw/zinc/19/30/36/984193036.db2.gz RZMGSLRCDLKTHK-UHFFFAOYSA-N 1 2 240.310 2.916 20 0 BFADLO Cc1c[nH+]c(Nc2cnc(F)cc2C)c(N)c1 ZINC001212812914 984225599 /nfs/dbraw/zinc/22/55/99/984225599.db2.gz UZVAXIPPUZEKAV-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO c1cc(-c2cc(N3CCCCC3)cc[nH+]2)ncn1 ZINC001242915353 984281984 /nfs/dbraw/zinc/28/19/84/984281984.db2.gz DLFKIFJZYXRSOQ-UHFFFAOYSA-N 1 2 240.310 2.529 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccncn2)cc1 ZINC001242917994 984289881 /nfs/dbraw/zinc/28/98/81/984289881.db2.gz XXZHREWYZAGFGX-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO Cc1cc(-c2cnn3ccccc23)c2[nH+]ccn2c1 ZINC001242966337 984328099 /nfs/dbraw/zinc/32/80/99/984328099.db2.gz QNHOVYZCQWXBLG-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1cc2cc[nH]c2cc1-c1c[nH+]cn1C ZINC001243067159 984480879 /nfs/dbraw/zinc/48/08/79/984480879.db2.gz GFUBRAFSMFJKAK-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(F)c2[nH]ccc21 ZINC001243068858 984487949 /nfs/dbraw/zinc/48/79/49/984487949.db2.gz IZDIKEGSSDDGOV-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO Cc1cncc2cccc(-c3c[nH+]cn3C)c12 ZINC001243069461 984488313 /nfs/dbraw/zinc/48/83/13/984488313.db2.gz RRISPXYISLMCAR-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO COc1ccc2cc(-c3c[nH+]cn3C)ccc2n1 ZINC001243069101 984490158 /nfs/dbraw/zinc/49/01/58/984490158.db2.gz PMHZBOGCXWZRMW-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cc2cccnc12 ZINC001243069998 984491712 /nfs/dbraw/zinc/49/17/12/984491712.db2.gz DPZYCDCRQGWXAS-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CC[S@](=N)(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243070487 984494166 /nfs/dbraw/zinc/49/41/66/984494166.db2.gz FVUGYQKIPBSBAW-KRWDZBQOSA-N 1 2 249.339 2.513 20 0 BFADLO Cc1c2[nH]ccc2ccc1-c1c[nH+]cn1C ZINC001243070699 984494820 /nfs/dbraw/zinc/49/48/20/984494820.db2.gz KGZSKRBWRQYDQY-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO COc1cc(-c2c[nH+]cn2C)cc2ncccc21 ZINC001243071498 984498171 /nfs/dbraw/zinc/49/81/71/984498171.db2.gz UJJCMOFSICBVIS-UHFFFAOYSA-N 1 2 239.278 2.644 20 0 BFADLO CSc1c(F)cccc1-c1c[nH+]cn1C ZINC001243070898 984500700 /nfs/dbraw/zinc/50/07/00/984500700.db2.gz AXVSNBXJNAHUQH-UHFFFAOYSA-N 1 2 222.288 2.948 20 0 BFADLO Cc1ccc2c(c1)nccc2-c1c[nH+]cn1C ZINC001243073123 984509968 /nfs/dbraw/zinc/50/99/68/984509968.db2.gz ZPVFTKNZXDIDJZ-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cccc(OC)n2)c1 ZINC001243098807 984533804 /nfs/dbraw/zinc/53/38/04/984533804.db2.gz YMOVNBUPMITILO-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)cc1O ZINC001243232319 984762962 /nfs/dbraw/zinc/76/29/62/984762962.db2.gz WPUCDUVTDSKECR-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO COc1ccc(-c2c(C)cc[nH+]c2C)c(CO)c1 ZINC001243249677 984803146 /nfs/dbraw/zinc/80/31/46/984803146.db2.gz OKXYNDSBEPNZOS-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO Cc1ncc(-c2cccc3[nH+]ccn32)s1 ZINC001243379004 984860089 /nfs/dbraw/zinc/86/00/89/984860089.db2.gz JOVMTZJQNBMJCN-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO Cc1cc(-c2cccc3[nH+]ccn32)cnc1F ZINC001243397050 984888171 /nfs/dbraw/zinc/88/81/71/984888171.db2.gz YIMBNMRMYWXTNC-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO O=c1cc(-c2ccc(-n3cc[nH+]c3)cc2)cc[nH]1 ZINC001243425464 984899974 /nfs/dbraw/zinc/89/99/74/984899974.db2.gz QAFKWCCPMBBLHX-UHFFFAOYSA-N 1 2 237.262 2.640 20 0 BFADLO CCCC[C@@H](CC)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257424591 984982394 /nfs/dbraw/zinc/98/23/94/984982394.db2.gz GKAVBNBAOXKILQ-GHMZBOCLSA-N 1 2 235.318 2.657 20 0 BFADLO CCCC[C@@H](CC)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257424591 984982423 /nfs/dbraw/zinc/98/24/23/984982423.db2.gz GKAVBNBAOXKILQ-GHMZBOCLSA-N 1 2 235.318 2.657 20 0 BFADLO CCCC[C@H](CC)[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257424599 984985179 /nfs/dbraw/zinc/98/51/79/984985179.db2.gz GKAVBNBAOXKILQ-WDEREUQCSA-N 1 2 235.318 2.657 20 0 BFADLO CCCC[C@H](CC)[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC001257424599 984985195 /nfs/dbraw/zinc/98/51/95/984985195.db2.gz GKAVBNBAOXKILQ-WDEREUQCSA-N 1 2 235.318 2.657 20 0 BFADLO Nc1[nH+]cccc1-c1cccnc1C(F)F ZINC001243474440 985024817 /nfs/dbraw/zinc/02/48/17/985024817.db2.gz MJDUNVGFUUDEFK-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO COc1ccc2[nH]ccc2c1-c1ccc[nH+]c1N ZINC001243476377 985027097 /nfs/dbraw/zinc/02/70/97/985027097.db2.gz QUHKUFVOSXWQDL-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO CC(C)Oc1cc(-c2ccc[nH+]c2N)cnc1F ZINC001243475516 985029939 /nfs/dbraw/zinc/02/99/39/985029939.db2.gz KLZQKZNSUGQRFQ-UHFFFAOYSA-N 1 2 247.273 2.652 20 0 BFADLO CCOc1c(F)cccc1-c1ccc[nH+]c1N ZINC001243477461 985038405 /nfs/dbraw/zinc/03/84/05/985038405.db2.gz ODPRLAWFTQSVKP-UHFFFAOYSA-N 1 2 232.258 2.869 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(-c2ccccn2)c1 ZINC001243476592 985040367 /nfs/dbraw/zinc/04/03/67/985040367.db2.gz DEEIIDWDJRAVTP-UHFFFAOYSA-N 1 2 248.289 2.788 20 0 BFADLO CC[C@H](C)[N@@H+]1Cc2cnc(Cl)cc2C1 ZINC001257447790 985040445 /nfs/dbraw/zinc/04/04/45/985040445.db2.gz KXMUNYBRZNJXID-QMMMGPOBSA-N 1 2 210.708 2.849 20 0 BFADLO CC[C@H](C)[N@H+]1Cc2cnc(Cl)cc2C1 ZINC001257447790 985040465 /nfs/dbraw/zinc/04/04/65/985040465.db2.gz KXMUNYBRZNJXID-QMMMGPOBSA-N 1 2 210.708 2.849 20 0 BFADLO COc1cc2[nH]ccc2c(-c2ccc[nH+]c2N)c1 ZINC001243476462 985040720 /nfs/dbraw/zinc/04/07/20/985040720.db2.gz SHKJSMCNKKMYMR-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1cc(-c2cc(Cl)ccc2N)cc[nH+]1 ZINC001243484505 985047634 /nfs/dbraw/zinc/04/76/34/985047634.db2.gz LUHXMGYZIURDOZ-UHFFFAOYSA-N 1 2 219.675 2.566 20 0 BFADLO Oc1cccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001243544467 985069487 /nfs/dbraw/zinc/06/94/87/985069487.db2.gz HIUIFIZHLLYLFN-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Oc1cccc(-c2ccn3cc[nH+]c3c2)c1F ZINC001243546418 985093040 /nfs/dbraw/zinc/09/30/40/985093040.db2.gz MOFMPIMTLLAXBE-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO C(c1nnc(C2CCCC2)o1)[NH+]1CCCCC1 ZINC001257494304 985120855 /nfs/dbraw/zinc/12/08/55/985120855.db2.gz SOEYMCHKFGKGAF-UHFFFAOYSA-N 1 2 235.331 2.713 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cnn(C(C)(C)C)c1 ZINC001243563530 985125728 /nfs/dbraw/zinc/12/57/28/985125728.db2.gz OTPROELSKPBVKB-YLNKAEQOSA-N 1 2 205.305 2.514 20 0 BFADLO Cc1nocc1-c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001243681012 985200389 /nfs/dbraw/zinc/20/03/89/985200389.db2.gz RIZMHAJUVNBEKJ-UHFFFAOYSA-N 1 2 243.241 2.975 20 0 BFADLO CCOc1ncc(-c2c[nH+]c(N)c(C)c2)cc1F ZINC001243775907 985312849 /nfs/dbraw/zinc/31/28/49/985312849.db2.gz MEIITLCMTOYAKP-UHFFFAOYSA-N 1 2 247.273 2.572 20 0 BFADLO Cc1cnc(F)cc1-c1cccc2[nH+]ccn21 ZINC001243783412 985329327 /nfs/dbraw/zinc/32/93/27/985329327.db2.gz JMNGAISCWJXXHH-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CC(C)=CCC[C@@H](C)N1CC[NH2+]CC(F)(F)C1 ZINC001258088963 985392177 /nfs/dbraw/zinc/39/21/77/985392177.db2.gz QEMOBZRYBOLDSO-GFCCVEGCSA-N 1 2 246.345 2.662 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+]1CCNCC(F)(F)C1 ZINC001258088963 985392191 /nfs/dbraw/zinc/39/21/91/985392191.db2.gz QEMOBZRYBOLDSO-GFCCVEGCSA-N 1 2 246.345 2.662 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+]1CCNCC(F)(F)C1 ZINC001258088963 985392202 /nfs/dbraw/zinc/39/22/02/985392202.db2.gz QEMOBZRYBOLDSO-GFCCVEGCSA-N 1 2 246.345 2.662 20 0 BFADLO CO[C@@H]1CC=C(c2ccc3[nH+]ccn3c2)CC1 ZINC001243810902 985396525 /nfs/dbraw/zinc/39/65/25/985396525.db2.gz VYSAJLMURHSZHM-CYBMUJFWSA-N 1 2 228.295 2.917 20 0 BFADLO CNc1cc(-c2ccc(CO)c(Cl)c2)cc[nH+]1 ZINC001243822629 985429354 /nfs/dbraw/zinc/42/93/54/985429354.db2.gz SXSSXWYMIUWASX-UHFFFAOYSA-N 1 2 248.713 2.936 20 0 BFADLO C[C@@H]1COC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000687999759 985464271 /nfs/dbraw/zinc/46/42/71/985464271.db2.gz UTNSRFMOSGRSPY-DOMZBBRYSA-N 1 2 246.354 2.734 20 0 BFADLO c1nc2cccc(-c3cccn4c[nH+]cc34)c2[nH]1 ZINC001243935638 985615081 /nfs/dbraw/zinc/61/50/81/985615081.db2.gz FYCCVWKPGYIHDT-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO c1cn2c(cccc2-c2cccc3[nH]cnc32)[nH+]1 ZINC001243933482 985617386 /nfs/dbraw/zinc/61/73/86/985617386.db2.gz XGMZMTKOQKWEFI-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1nc(C2=C[NH2+]CCC2)cc(C(F)(F)F)n1 ZINC001243947247 985620482 /nfs/dbraw/zinc/62/04/82/985620482.db2.gz GDTOMLMNBIYUTQ-UHFFFAOYSA-N 1 2 243.232 2.528 20 0 BFADLO Cc1nc2ccsc2c(C2=C[NH2+]CCC2)n1 ZINC001243947928 985628860 /nfs/dbraw/zinc/62/88/60/985628860.db2.gz SEXNGIKOIRBVJH-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO CCCSc1cncc(C2=C[NH2+]CCC2)n1 ZINC001243948355 985630841 /nfs/dbraw/zinc/63/08/41/985630841.db2.gz CCXCUYAMTLNACP-UHFFFAOYSA-N 1 2 235.356 2.703 20 0 BFADLO c1cc(-c2ccc(C3=C[NH2+]CCC3)nn2)cs1 ZINC001243949111 985639343 /nfs/dbraw/zinc/63/93/43/985639343.db2.gz IURHPSLIEVQCPP-UHFFFAOYSA-N 1 2 243.335 2.929 20 0 BFADLO c1ccc(-c2cnc(C3=C[NH2+]CCC3)cn2)cc1 ZINC001243949650 985642394 /nfs/dbraw/zinc/64/23/94/985642394.db2.gz XDICLIHLXURAJS-UHFFFAOYSA-N 1 2 237.306 2.868 20 0 BFADLO CSCC[C@@H](C)[NH+]1CC(F)(C2CC2)C1 ZINC001258213867 985644509 /nfs/dbraw/zinc/64/45/09/985644509.db2.gz ZUHVLEQHMQGOON-SECBINFHSA-N 1 2 217.353 2.562 20 0 BFADLO Fc1cc(-c2cccc3[nH+]ccn32)cc(F)n1 ZINC001243971571 985698805 /nfs/dbraw/zinc/69/88/05/985698805.db2.gz SZKXMYUTWBZTSE-UHFFFAOYSA-N 1 2 231.205 2.675 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(-c2ncc[nH]2)cc1 ZINC001243977679 985702796 /nfs/dbraw/zinc/70/27/96/985702796.db2.gz RHIXMKXFOBZWND-GGBREQKCSA-N 1 2 225.295 2.952 20 0 BFADLO CCOc1ccc(-c2cc[nH+]c(N)c2)c(OC)c1 ZINC001244000576 985729378 /nfs/dbraw/zinc/72/93/78/985729378.db2.gz VCPSWBODFLQAOV-UHFFFAOYSA-N 1 2 244.294 2.738 20 0 BFADLO CC(C)CCc1nnc([C@@H]2CC3CC[NH+]2CC3)o1 ZINC001258256260 985731340 /nfs/dbraw/zinc/73/13/40/985731340.db2.gz FVXCIJXUFMNWIJ-LBPRGKRZSA-N 1 2 249.358 2.815 20 0 BFADLO CC1(C)CCC[C@H]([N@@H+]2CCC(=O)[C@@H](F)C2)C1 ZINC001258287806 985795592 /nfs/dbraw/zinc/79/55/92/985795592.db2.gz DAPYTYPTRQTOHP-QWRGUYRKSA-N 1 2 227.323 2.568 20 0 BFADLO CC1(C)CCC[C@H]([N@H+]2CCC(=O)[C@@H](F)C2)C1 ZINC001258287806 985795621 /nfs/dbraw/zinc/79/56/21/985795621.db2.gz DAPYTYPTRQTOHP-QWRGUYRKSA-N 1 2 227.323 2.568 20 0 BFADLO CO[C@@H]1CC=C(Nc2cccc3[nH+]ccn32)CC1 ZINC001212872349 985818901 /nfs/dbraw/zinc/81/89/01/985818901.db2.gz UWSDNUPAFKQQSH-GFCCVEGCSA-N 1 2 243.310 2.829 20 0 BFADLO Cc1ncc(C2CC2)cc1-c1cc[nH+]c(N)c1 ZINC001244139168 985841073 /nfs/dbraw/zinc/84/10/73/985841073.db2.gz FTPXXJORMIPWAN-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Nc1ccc[nH+]c1Nc1ccc(CO)c(Cl)c1 ZINC001212888148 985887243 /nfs/dbraw/zinc/88/72/43/985887243.db2.gz HNCRADRTPCFAEO-UHFFFAOYSA-N 1 2 249.701 2.553 20 0 BFADLO COc1nscc1C[N@H+](C)[C@@H]1C=CCCC1 ZINC001460834852 985907329 /nfs/dbraw/zinc/90/73/29/985907329.db2.gz ZQQAWWWUOQVHCK-LLVKDONJSA-N 1 2 238.356 2.692 20 0 BFADLO COc1nscc1C[N@@H+](C)[C@@H]1C=CCCC1 ZINC001460834852 985907350 /nfs/dbraw/zinc/90/73/50/985907350.db2.gz ZQQAWWWUOQVHCK-LLVKDONJSA-N 1 2 238.356 2.692 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(CC(F)(F)F)nc1 ZINC001244292882 985926904 /nfs/dbraw/zinc/92/69/04/985926904.db2.gz WUJQZMJTFOGQQM-UHFFFAOYSA-N 1 2 241.216 2.587 20 0 BFADLO Cc1[nH]c(CN2CC(F)(F)CC[C@@H]2C)[nH+]c1C ZINC001460929764 985943208 /nfs/dbraw/zinc/94/32/08/985943208.db2.gz CUHQDIQTWITIJQ-QMMMGPOBSA-N 1 2 243.301 2.646 20 0 BFADLO CCSCC[N@@H+]1CC(F)(F)CC[C@H]1C ZINC001460935405 985948927 /nfs/dbraw/zinc/94/89/27/985948927.db2.gz MDMKZUOROZRZEN-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCSCC[N@H+]1CC(F)(F)CC[C@H]1C ZINC001460935405 985948945 /nfs/dbraw/zinc/94/89/45/985948945.db2.gz MDMKZUOROZRZEN-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO Cc1ccc(-c2ccc(N)cc2C)[nH+]c1N ZINC001244366343 985997037 /nfs/dbraw/zinc/99/70/37/985997037.db2.gz BJVVDRZKIFFKDU-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO COc1cc(C)c(CNc2cccc[nH+]2)c(C)n1 ZINC001461074480 986011684 /nfs/dbraw/zinc/01/16/84/986011684.db2.gz RDXBTNBCIRJUMR-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ccc(-c2c[nH+]c(N)c(C)c2)c(N)c1 ZINC001244392154 986031965 /nfs/dbraw/zinc/03/19/65/986031965.db2.gz RVEOTCGXNAVBSH-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccn[nH]1 ZINC001461390767 986051684 /nfs/dbraw/zinc/05/16/84/986051684.db2.gz QMKZHTVWPMZAAB-NHYWBVRUSA-N 1 2 241.338 2.823 20 0 BFADLO CCCn1c[nH+]cc1CNc1c(C)noc1CC ZINC001461556026 986079589 /nfs/dbraw/zinc/07/95/89/986079589.db2.gz VRKZJGBBXPJOMY-UHFFFAOYSA-N 1 2 248.330 2.764 20 0 BFADLO Cc1ccc(F)cc1CNc1cc(CO)cc[nH+]1 ZINC001461596955 986094751 /nfs/dbraw/zinc/09/47/51/986094751.db2.gz ZCBKDDRULCDVMU-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO COCOc1ccc(C)c(-c2ccc(N)[nH+]c2)c1 ZINC001244456085 986127314 /nfs/dbraw/zinc/12/73/14/986127314.db2.gz OZRYXLWNDGNWFA-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO Nc1cc(-c2ccc(Cl)cc2O)cc[nH+]1 ZINC001244469889 986145086 /nfs/dbraw/zinc/14/50/86/986145086.db2.gz SGGDKOJDQMWNOA-UHFFFAOYSA-N 1 2 220.659 2.690 20 0 BFADLO Cc1cc(CO)ccc1-c1cccc2[nH+]ccn21 ZINC001244580942 986263565 /nfs/dbraw/zinc/26/35/65/986263565.db2.gz FFAHWQXPSQNJFY-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO C[C@H]1CCC[C@@H]([N@@H+]2CCOCC(F)(F)C2)C1 ZINC001258819119 986282676 /nfs/dbraw/zinc/28/26/76/986282676.db2.gz OKROVKFTKAOWTG-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CCC[C@@H]([N@H+]2CCOCC(F)(F)C2)C1 ZINC001258819119 986282691 /nfs/dbraw/zinc/28/26/91/986282691.db2.gz OKROVKFTKAOWTG-WDEREUQCSA-N 1 2 233.302 2.533 20 0 BFADLO CC(=O)c1cc(-c2cc[nH+]c(N)c2)cs1 ZINC001244626761 986289495 /nfs/dbraw/zinc/28/94/95/986289495.db2.gz RZWJLJTVCGFNHZ-UHFFFAOYSA-N 1 2 218.281 2.595 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)c(CO)c(C)c1 ZINC001244694366 986300593 /nfs/dbraw/zinc/30/05/93/986300593.db2.gz UHTPVJBTFPCZRR-GQYICFGZSA-N 1 2 217.312 2.671 20 0 BFADLO Cc1cc(-c2cc(C)c(CO)c(C)c2)c[nH+]c1N ZINC001244692817 986310645 /nfs/dbraw/zinc/31/06/45/986310645.db2.gz ICTCPLWTFKGFDO-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO COc1c(F)cc(-c2c[nH+]cn2C)cc1Cl ZINC001244699746 986312812 /nfs/dbraw/zinc/31/28/12/986312812.db2.gz XNKSRMQRFPCUCH-UHFFFAOYSA-N 1 2 240.665 2.888 20 0 BFADLO CC[C@H]([NH2+]Cc1ccon1)c1ccsc1 ZINC000382123411 986331517 /nfs/dbraw/zinc/33/15/17/986331517.db2.gz NFVARXMZJQVWQX-NSHDSACASA-N 1 2 222.313 2.977 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ncccc2F)nc1C ZINC001462325991 986349956 /nfs/dbraw/zinc/34/99/56/986349956.db2.gz GMTAAUNKDSBIAN-UHFFFAOYSA-N 1 2 245.301 2.522 20 0 BFADLO Cc1c(F)cncc1-c1c[nH+]c2c(c1)CCCN2 ZINC001244837703 986380534 /nfs/dbraw/zinc/38/05/34/986380534.db2.gz XMMFAAMORMBJPY-UHFFFAOYSA-N 1 2 243.285 2.592 20 0 BFADLO COc1cc(CO)cc(-c2c(C)cc[nH+]c2C)c1 ZINC001244840578 986387074 /nfs/dbraw/zinc/38/70/74/986387074.db2.gz BWYONVOQERXPDO-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO CNc1cc(-c2cccc(O)c2C)cc[nH+]1 ZINC001244959512 986526822 /nfs/dbraw/zinc/52/68/22/986526822.db2.gz UUDBQLDWWWLXLP-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO CNc1cc(-c2ccc3c(c2)CC3)cc[nH+]1 ZINC001244972615 986548618 /nfs/dbraw/zinc/54/86/18/986548618.db2.gz HQQFPYBVBBXWOM-UHFFFAOYSA-N 1 2 210.280 2.889 20 0 BFADLO Cc1cc(-c2ccc(O)cc2Cl)c[nH+]c1N ZINC001245082569 986625758 /nfs/dbraw/zinc/62/57/58/986625758.db2.gz XQEQSTSUVTWBHQ-UHFFFAOYSA-N 1 2 234.686 2.998 20 0 BFADLO CCn1ncc2cc(/C(C)=C/C=C/[NH3+])ccc21 ZINC001245237730 986759541 /nfs/dbraw/zinc/75/95/41/986759541.db2.gz VKMXTUKJWRSEKC-JNKBEKGTSA-N 1 2 227.311 2.932 20 0 BFADLO CCOC1C[NH+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137335350 986797854 /nfs/dbraw/zinc/79/78/54/986797854.db2.gz OPLPFCDSWVAOLI-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO COC1(C)C[NH+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137333516 986800464 /nfs/dbraw/zinc/80/04/64/986800464.db2.gz JYBSONJWCCOVDZ-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CC(=O)OCc1cc(/C(C)=C/C=C/[NH3+])ccc1C ZINC001245379446 986826084 /nfs/dbraw/zinc/82/60/84/986826084.db2.gz TVOHIPORCJYAEG-JNKBEKGTSA-N 1 2 245.322 2.934 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](F)C2)[nH]1 ZINC001137372539 986834933 /nfs/dbraw/zinc/83/49/33/986834933.db2.gz YVJFHNHLQFSARZ-JTQLQIEISA-N 1 2 224.323 2.856 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](F)C2)[nH]1 ZINC001137372539 986834937 /nfs/dbraw/zinc/83/49/37/986834937.db2.gz YVJFHNHLQFSARZ-JTQLQIEISA-N 1 2 224.323 2.856 20 0 BFADLO CC(=CC=C[NH3+])c1c[nH]c2ncc(F)cc12 ZINC001245430103 986846589 /nfs/dbraw/zinc/84/65/89/986846589.db2.gz GHPFQYTWKUQKGZ-BVOBWIRXSA-N 1 2 217.247 2.578 20 0 BFADLO Cc1cc(-c2c[nH+]c(N)c(C)c2)nc2cc[nH]c21 ZINC001245535702 986911557 /nfs/dbraw/zinc/91/15/57/986911557.db2.gz NKWDDFTXMJFQDN-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2ccc3ccncc3n2)c[nH+]c1N ZINC001245536613 986913208 /nfs/dbraw/zinc/91/32/08/986913208.db2.gz UTKOCNOOWCGNJK-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1ccc(N)cc1-c1c[nH+]c(N)c(C)c1 ZINC001245536948 986915233 /nfs/dbraw/zinc/91/52/33/986915233.db2.gz OXVJFTGCNVIKKH-UHFFFAOYSA-N 1 2 213.284 2.530 20 0 BFADLO Cc1cc(-c2ccc3oncc3c2)c[nH+]c1N ZINC001245536873 986915603 /nfs/dbraw/zinc/91/56/03/986915603.db2.gz NMQZDQXONYQLJJ-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(-c2cnc(C(C)(C)C)nc2)c[nH+]c1N ZINC001245538412 986918322 /nfs/dbraw/zinc/91/83/22/986918322.db2.gz DTCRNKSHFRHFEX-UHFFFAOYSA-N 1 2 242.326 2.727 20 0 BFADLO CSc1ccnc(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245537724 986921216 /nfs/dbraw/zinc/92/12/16/986921216.db2.gz GSICWDKQTPOUMP-UHFFFAOYSA-N 1 2 231.324 2.756 20 0 BFADLO COc1cc(C)c(-c2c[nH+]c(N)c(C)c2)c(C)n1 ZINC001245537867 986922349 /nfs/dbraw/zinc/92/23/49/986922349.db2.gz GHJKWHXYXYVRCA-UHFFFAOYSA-N 1 2 243.310 2.660 20 0 BFADLO Cc1cc(-c2cccc3ncoc32)c[nH+]c1N ZINC001245539034 986922450 /nfs/dbraw/zinc/92/24/50/986922450.db2.gz PRXOUIXOJAQWNW-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO Cc1cc(-c2cnc3ccncc3c2)c[nH+]c1N ZINC001245538839 986925992 /nfs/dbraw/zinc/92/59/92/986925992.db2.gz IJYRLNZYJOPCJF-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cccc3c2CCCO3)c[nH+]c1N ZINC001245541127 986930611 /nfs/dbraw/zinc/93/06/11/986930611.db2.gz LURFDDCDFWIFFU-UHFFFAOYSA-N 1 2 240.306 2.964 20 0 BFADLO Cn1c[nH+]cc1-c1cc2ccc(F)cc2[nH]1 ZINC001245589043 986979416 /nfs/dbraw/zinc/97/94/16/986979416.db2.gz YPBSEZLMIBGJMS-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO CCc1cc(-c2cccc(N)[nH+]2)ccc1OC ZINC001245789623 987084898 /nfs/dbraw/zinc/08/48/98/987084898.db2.gz WIOQQWVHNKABJK-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1ccc2c(c1)NC(=O)C2 ZINC001245891165 987099959 /nfs/dbraw/zinc/09/99/59/987099959.db2.gz MVZUDCHXWHDKHN-UHFFFAOYSA-N 1 2 238.290 2.860 20 0 BFADLO CCc1cn(Cc2cccc(Cl)n2)c[nH+]1 ZINC001473086933 987327441 /nfs/dbraw/zinc/32/74/41/987327441.db2.gz DSEAVHVRONWEAK-UHFFFAOYSA-N 1 2 221.691 2.542 20 0 BFADLO CCn1ccc(CNc2ccc([NH+](C)C)cc2)n1 ZINC001474062228 987635970 /nfs/dbraw/zinc/63/59/70/987635970.db2.gz OJEPQMQXYRMJJI-UHFFFAOYSA-N 1 2 244.342 2.581 20 0 BFADLO Cc1ccc2[nH+]c(NCc3cscn3)[nH]c2c1 ZINC001474248826 987665173 /nfs/dbraw/zinc/66/51/73/987665173.db2.gz QPSFHQOBBUNDRU-UHFFFAOYSA-N 1 2 244.323 2.940 20 0 BFADLO CCCC[C@@H](CC)c1nnc(C[NH+](C)C)o1 ZINC001117228923 987798833 /nfs/dbraw/zinc/79/88/33/987798833.db2.gz JKHAQOZUZQPKDQ-SNVBAGLBSA-N 1 2 225.336 2.815 20 0 BFADLO CCCC[C@H](CC(C)C)N[C@H]1C[NH2+]CC1(F)F ZINC001246458967 987817519 /nfs/dbraw/zinc/81/75/19/987817519.db2.gz IFBSWUGMOQCFEJ-NEPJUHHUSA-N 1 2 248.361 2.788 20 0 BFADLO CCCC[C@H](CCC)N[C@@H]1C[NH2+]CC1(F)F ZINC001246462188 987821841 /nfs/dbraw/zinc/82/18/41/987821841.db2.gz QYNFGSJJQAAAIX-WDEREUQCSA-N 1 2 234.334 2.542 20 0 BFADLO Cc1ccc(N[C@@H](C)c2ccn(C)n2)c(C)[nH+]1 ZINC001118006893 987982805 /nfs/dbraw/zinc/98/28/05/987982805.db2.gz PJPGMDFRNIUMRE-NSHDSACASA-N 1 2 230.315 2.605 20 0 BFADLO Cc1nc(N2CC[C@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC001322090009 988107098 /nfs/dbraw/zinc/10/70/98/988107098.db2.gz RJPBUDBNLZVVTQ-OLZOCXBDSA-N 1 2 231.343 2.802 20 0 BFADLO C[NH+](C)Cc1nnc(C(C)(C)C2CCCC2)o1 ZINC001322983739 988422052 /nfs/dbraw/zinc/42/20/52/988422052.db2.gz ORQUDLBKKAZXMJ-UHFFFAOYSA-N 1 2 237.347 2.599 20 0 BFADLO C[NH+](C)Cc1nnc(/C=C\C2CCCCC2)o1 ZINC001322983988 988423832 /nfs/dbraw/zinc/42/38/32/988423832.db2.gz RTIZCAYLFFKXPX-HJWRWDBZSA-N 1 2 235.331 2.725 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1cccc(F)n1 ZINC001118557778 988437627 /nfs/dbraw/zinc/43/76/27/988437627.db2.gz SDLIITQMEWLQHX-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1cccc(F)n1 ZINC001118557778 988437634 /nfs/dbraw/zinc/43/76/34/988437634.db2.gz SDLIITQMEWLQHX-UHFFFAOYSA-N 1 2 236.212 2.605 20 0 BFADLO C[C@@H]1c2ccccc2C[N@H+]1CN1C(=O)CC1(C)C ZINC001118595064 988468754 /nfs/dbraw/zinc/46/87/54/988468754.db2.gz KGZXUTPMSRJCFZ-LLVKDONJSA-N 1 2 244.338 2.532 20 0 BFADLO C[C@@H]1c2ccccc2C[N@@H+]1CN1C(=O)CC1(C)C ZINC001118595064 988468763 /nfs/dbraw/zinc/46/87/63/988468763.db2.gz KGZXUTPMSRJCFZ-LLVKDONJSA-N 1 2 244.338 2.532 20 0 BFADLO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)n[nH]1 ZINC001324275873 988777424 /nfs/dbraw/zinc/77/74/24/988777424.db2.gz JITSLKFFLFEXJV-LBPRGKRZSA-N 1 2 221.348 2.585 20 0 BFADLO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)n[nH]1 ZINC001324275873 988777439 /nfs/dbraw/zinc/77/74/39/988777439.db2.gz JITSLKFFLFEXJV-LBPRGKRZSA-N 1 2 221.348 2.585 20 0 BFADLO CCc1nc(C[NH2+]Cc2cccn2C2CC2)co1 ZINC001324379750 988821794 /nfs/dbraw/zinc/82/17/94/988821794.db2.gz WWVWWZZPBSTKQL-UHFFFAOYSA-N 1 2 245.326 2.663 20 0 BFADLO CCCCc1ccc2[nH]c(CCCO)[nH+]c2c1 ZINC001247011928 988841156 /nfs/dbraw/zinc/84/11/56/988841156.db2.gz KRJSAZBAUXRQNT-UHFFFAOYSA-N 1 2 232.327 2.830 20 0 BFADLO CCc1ccc(N2CCC[C@@H](F)C2)[nH+]c1 ZINC001515719302 989109235 /nfs/dbraw/zinc/10/92/35/989109235.db2.gz BSZBVXOYHYOLQG-LLVKDONJSA-N 1 2 208.280 2.582 20 0 BFADLO CC[NH+](CC)Cc1c(Cl)ccnc1OC ZINC001248791584 989147569 /nfs/dbraw/zinc/14/75/69/989147569.db2.gz KSRCPEQOCQDEEO-UHFFFAOYSA-N 1 2 228.723 2.585 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)[C@@H](F)CC2)cs1 ZINC001248801346 989150831 /nfs/dbraw/zinc/15/08/31/989150831.db2.gz MLUFEMSRRNJSAW-NSHDSACASA-N 1 2 241.331 2.560 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)[C@@H](F)CC2)cs1 ZINC001248801346 989150838 /nfs/dbraw/zinc/15/08/38/989150838.db2.gz MLUFEMSRRNJSAW-NSHDSACASA-N 1 2 241.331 2.560 20 0 BFADLO COC1(C)C[NH+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248814821 989170518 /nfs/dbraw/zinc/17/05/18/989170518.db2.gz BOWZANYOYNOLIK-UHFFFAOYSA-N 1 2 248.301 2.528 20 0 BFADLO CC[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CCCC1 ZINC001325414412 989182372 /nfs/dbraw/zinc/18/23/72/989182372.db2.gz BLSNENUVIYQJIO-AAEUAGOBSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nc(C[NH+]2CCSCC2)ccc1Cl ZINC001248869887 989212420 /nfs/dbraw/zinc/21/24/20/989212420.db2.gz KDFSSWCETTXCKC-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO C1=CC[NH+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249263584 989270896 /nfs/dbraw/zinc/27/08/96/989270896.db2.gz OIFNOICAXZKSAD-UHFFFAOYSA-N 1 2 243.335 2.577 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)CC1CCCC1 ZINC001518384364 989303070 /nfs/dbraw/zinc/30/30/70/989303070.db2.gz OVVCAFRDTGKXER-UHFFFAOYSA-N 1 2 232.327 2.639 20 0 BFADLO Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)no1 ZINC001249584684 989318848 /nfs/dbraw/zinc/31/88/48/989318848.db2.gz WYSAZANFCJFSIT-UHFFFAOYSA-N 1 2 243.188 2.562 20 0 BFADLO CC[C@H](c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001326292405 989471113 /nfs/dbraw/zinc/47/11/13/989471113.db2.gz IPPJCTJBKLPQMN-LBPRGKRZSA-N 1 2 245.326 2.673 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C1/CC[C@H](C)C1 ZINC001520441982 989562845 /nfs/dbraw/zinc/56/28/45/989562845.db2.gz MOTNYVRBAYNKAJ-ZWIPKHHJSA-N 1 2 248.326 2.693 20 0 BFADLO C[NH+](C)Cc1nnc(CC2(C)CCCCC2)o1 ZINC001326524414 989586379 /nfs/dbraw/zinc/58/63/79/989586379.db2.gz XAIRWGJLFAJFTP-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO Cc1cc(C[C@@H](C)Nc2cc(F)cc(C)[nH+]2)n[nH]1 ZINC001120829201 989907573 /nfs/dbraw/zinc/90/75/73/989907573.db2.gz YANHGRYXNIFHGY-SECBINFHSA-N 1 2 248.305 2.604 20 0 BFADLO Cc1cc(C[C@@H](C)Nc2cc(F)cc(C)[nH+]2)[nH]n1 ZINC001120829201 989907579 /nfs/dbraw/zinc/90/75/79/989907579.db2.gz YANHGRYXNIFHGY-SECBINFHSA-N 1 2 248.305 2.604 20 0 BFADLO CCc1ccc(N2CCC[C@](CC)(CO)C2)[nH+]c1 ZINC001120920834 989966793 /nfs/dbraw/zinc/96/67/93/989966793.db2.gz MOQVZBGOSBCLDE-HNNXBMFYSA-N 1 2 248.370 2.633 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001121230936 990053542 /nfs/dbraw/zinc/05/35/42/990053542.db2.gz GQEKUYRMHQBNSV-WFASDCNBSA-N 1 2 246.354 2.741 20 0 BFADLO CC(C(=O)Nc1c(C)c[nH+]cc1C)=C1CCC1 ZINC001121231495 990054223 /nfs/dbraw/zinc/05/42/23/990054223.db2.gz NYUZKUXRIXBONL-UHFFFAOYSA-N 1 2 230.311 2.559 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)c[nH+]cc1C ZINC001121231196 990055503 /nfs/dbraw/zinc/05/55/03/990055503.db2.gz JKTVCWGAROYXAE-BXKDBHETSA-N 1 2 234.343 2.741 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001121230933 990055519 /nfs/dbraw/zinc/05/55/19/990055519.db2.gz GQEKUYRMHQBNSV-DOMZBBRYSA-N 1 2 246.354 2.741 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)c1cccc(F)c1 ZINC001537604381 990506768 /nfs/dbraw/zinc/50/67/68/990506768.db2.gz SJHLQELGIOEWQO-UHFFFAOYSA-N 1 2 244.269 2.512 20 0 BFADLO Cc1cc(NC(=O)C2CC2)ccc1-n1cc[nH+]c1 ZINC001542875544 990674919 /nfs/dbraw/zinc/67/49/19/990674919.db2.gz LAXYXWYBQVTCKX-UHFFFAOYSA-N 1 2 241.294 2.529 20 0 BFADLO CC/C=C(\F)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001556482314 990830335 /nfs/dbraw/zinc/83/03/35/990830335.db2.gz ZHXYSIYHQFMHKT-KMKOMSMNSA-N 1 2 233.246 2.536 20 0 BFADLO Cc1cccc(C[N@H+](C)Cc2cncnc2)c1F ZINC001137680271 990840212 /nfs/dbraw/zinc/84/02/12/990840212.db2.gz VLYSHJOSQMERQW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C[N@@H+](C)Cc2cncnc2)c1F ZINC001137680271 990840215 /nfs/dbraw/zinc/84/02/15/990840215.db2.gz VLYSHJOSQMERQW-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](F)C(=O)C1 ZINC001137847681 990860829 /nfs/dbraw/zinc/86/08/29/990860829.db2.gz ARSBXECIGINIRU-CQSZACIVSA-N 1 2 249.329 2.806 20 0 BFADLO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](F)C(=O)C1 ZINC001137847681 990860834 /nfs/dbraw/zinc/86/08/34/990860834.db2.gz ARSBXECIGINIRU-CQSZACIVSA-N 1 2 249.329 2.806 20 0 BFADLO COCC[N@H+](C)Cc1c(F)ccc(C)c1Cl ZINC001138022758 990876198 /nfs/dbraw/zinc/87/61/98/990876198.db2.gz LJHHZDFLEKCPEQ-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO COCC[N@@H+](C)Cc1c(F)ccc(C)c1Cl ZINC001138022758 990876201 /nfs/dbraw/zinc/87/62/01/990876201.db2.gz LJHHZDFLEKCPEQ-UHFFFAOYSA-N 1 2 245.725 2.866 20 0 BFADLO Cc1ccc(F)c(C[NH+]2CC=CC2)c1F ZINC001138114868 990885041 /nfs/dbraw/zinc/88/50/41/990885041.db2.gz OAZVTFNBPPYQNJ-UHFFFAOYSA-N 1 2 209.239 2.645 20 0 BFADLO CCOC1C[NH+](Cc2[nH]c3ccccc3c2C)C1 ZINC001138396533 990936235 /nfs/dbraw/zinc/93/62/35/990936235.db2.gz CEYHBEQRYYUEOL-UHFFFAOYSA-N 1 2 244.338 2.697 20 0 BFADLO COc1ccc(C)cc1C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001138485436 990960967 /nfs/dbraw/zinc/96/09/67/990960967.db2.gz SRYUHPIJKYUROW-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO COc1ccc(C)cc1C[N@H+]1CCC(=O)C[C@@H]1C ZINC001138485436 990960977 /nfs/dbraw/zinc/96/09/77/990960977.db2.gz SRYUHPIJKYUROW-LBPRGKRZSA-N 1 2 247.338 2.557 20 0 BFADLO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CCC(=O)C1 ZINC001258068400 990962327 /nfs/dbraw/zinc/96/23/27/990962327.db2.gz FAWZYDANUZNUDN-RYUDHWBXSA-N 1 2 211.349 2.722 20 0 BFADLO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CCC(=O)C1 ZINC001258068400 990962335 /nfs/dbraw/zinc/96/23/35/990962335.db2.gz FAWZYDANUZNUDN-RYUDHWBXSA-N 1 2 211.349 2.722 20 0 BFADLO CCCn1ncc(C[N@@H+]2CCC[C@H](F)C2)c1C ZINC001138638376 990990112 /nfs/dbraw/zinc/99/01/12/990990112.db2.gz PYXQETWFZBHFJH-ZDUSSCGKSA-N 1 2 239.338 2.535 20 0 BFADLO CCCn1ncc(C[N@H+]2CCC[C@H](F)C2)c1C ZINC001138638376 990990123 /nfs/dbraw/zinc/99/01/23/990990123.db2.gz PYXQETWFZBHFJH-ZDUSSCGKSA-N 1 2 239.338 2.535 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@H+](C)Cc1noc(C)n1 ZINC001258088521 990995762 /nfs/dbraw/zinc/99/57/62/990995762.db2.gz MNQOVPKVZBIAJL-LLVKDONJSA-N 1 2 237.347 2.945 20 0 BFADLO CC(C)=CCC[C@@H](C)[N@@H+](C)Cc1noc(C)n1 ZINC001258088521 990995769 /nfs/dbraw/zinc/99/57/69/990995769.db2.gz MNQOVPKVZBIAJL-LLVKDONJSA-N 1 2 237.347 2.945 20 0 BFADLO Cc1ccnc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC001308505282 991012812 /nfs/dbraw/zinc/01/28/12/991012812.db2.gz DDYOECLNVSHPDY-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO COc1cc(Cl)cc(C[NH+]2CCC2)c1OC ZINC001138743638 991028861 /nfs/dbraw/zinc/02/88/61/991028861.db2.gz BCOUICKQEMIEPS-UHFFFAOYSA-N 1 2 241.718 2.563 20 0 BFADLO CCCCN(C)c1cc(CC)[nH+]c(CC)n1 ZINC001559053751 991029714 /nfs/dbraw/zinc/02/97/14/991029714.db2.gz HKZOXRVWFQKQMO-UHFFFAOYSA-N 1 2 221.348 2.838 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cccnc1F ZINC001138787588 991050217 /nfs/dbraw/zinc/05/02/17/991050217.db2.gz JXHPUPTZYQFHQS-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cccnc1F ZINC001138787588 991050226 /nfs/dbraw/zinc/05/02/26/991050226.db2.gz JXHPUPTZYQFHQS-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO Fc1ncccc1C[N@@H+]1CCc2ccsc2C1 ZINC001138788212 991051482 /nfs/dbraw/zinc/05/14/82/991051482.db2.gz YKWMWVPZXONZMD-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ncccc1C[N@H+]1CCc2ccsc2C1 ZINC001138788212 991051496 /nfs/dbraw/zinc/05/14/96/991051496.db2.gz YKWMWVPZXONZMD-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CCc1cc(NCCc2ccoc2)nc(CC)[nH+]1 ZINC001559237225 991058538 /nfs/dbraw/zinc/05/85/38/991058538.db2.gz GQHGNAJLUCGRON-UHFFFAOYSA-N 1 2 245.326 2.849 20 0 BFADLO CO[C@H]1C[N@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822545 991073584 /nfs/dbraw/zinc/07/35/84/991073584.db2.gz IWFXZGFWSHZNDH-JSGCOSHPSA-N 1 2 249.285 2.602 20 0 BFADLO CO[C@H]1C[N@@H+](Cc2ccc3occc3c2)C[C@@H]1F ZINC001138822545 991073594 /nfs/dbraw/zinc/07/35/94/991073594.db2.gz IWFXZGFWSHZNDH-JSGCOSHPSA-N 1 2 249.285 2.602 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H]2C)cs1 ZINC001138884690 991088954 /nfs/dbraw/zinc/08/89/54/991088954.db2.gz GBTFXAJNMLTXJR-SECBINFHSA-N 1 2 210.346 2.861 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H]2C)cs1 ZINC001138884690 991088963 /nfs/dbraw/zinc/08/89/63/991088963.db2.gz GBTFXAJNMLTXJR-SECBINFHSA-N 1 2 210.346 2.861 20 0 BFADLO CCc1cn(Cc2ccc(CF)cc2)c[nH+]1 ZINC001559466264 991112368 /nfs/dbraw/zinc/11/23/68/991112368.db2.gz PVEIQAMBBXVBGS-UHFFFAOYSA-N 1 2 218.275 2.963 20 0 BFADLO CCCCOc1cccc(C[NH+]2CCOCC2)c1 ZINC001138953657 991112763 /nfs/dbraw/zinc/11/27/63/991112763.db2.gz BGUHXUYUYKULGL-UHFFFAOYSA-N 1 2 249.354 2.698 20 0 BFADLO C[N@H+](CCF)Cc1c2cc[nH]c2ncc1Cl ZINC001138955476 991113404 /nfs/dbraw/zinc/11/34/04/991113404.db2.gz UWVAOOLSVVRIAE-UHFFFAOYSA-N 1 2 241.697 2.569 20 0 BFADLO C[N@@H+](CCF)Cc1c2cc[nH]c2ncc1Cl ZINC001138955476 991113413 /nfs/dbraw/zinc/11/34/13/991113413.db2.gz UWVAOOLSVVRIAE-UHFFFAOYSA-N 1 2 241.697 2.569 20 0 BFADLO CCCOc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC001138995807 991117793 /nfs/dbraw/zinc/11/77/93/991117793.db2.gz VDWNWOAGEOVXJJ-CYBMUJFWSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC001138995807 991117801 /nfs/dbraw/zinc/11/78/01/991117801.db2.gz VDWNWOAGEOVXJJ-CYBMUJFWSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001138995808 991120445 /nfs/dbraw/zinc/12/04/45/991120445.db2.gz VDWNWOAGEOVXJJ-ZDUSSCGKSA-N 1 2 249.354 2.696 20 0 BFADLO CCCOc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC001138995808 991120446 /nfs/dbraw/zinc/12/04/46/991120446.db2.gz VDWNWOAGEOVXJJ-ZDUSSCGKSA-N 1 2 249.354 2.696 20 0 BFADLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001139062082 991136751 /nfs/dbraw/zinc/13/67/51/991136751.db2.gz PGNIWGQPPRAFFB-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO C[C@@H]1CC(=O)CC[N@H+]1Cc1cc2ccccc2o1 ZINC001139062082 991136758 /nfs/dbraw/zinc/13/67/58/991136758.db2.gz PGNIWGQPPRAFFB-LLVKDONJSA-N 1 2 243.306 2.986 20 0 BFADLO Cc1cc(C)c(/C=C\C[NH+]2CC(C)(O)C2)cc1C ZINC001308810757 991151212 /nfs/dbraw/zinc/15/12/12/991151212.db2.gz ZKFSJOGPARFNTM-WAYWQWQTSA-N 1 2 245.366 2.692 20 0 BFADLO C[NH+](C)Cc1[nH]c(-c2ccccc2)nc1Cl ZINC001139277043 991220683 /nfs/dbraw/zinc/22/06/83/991220683.db2.gz IWOHFRWXPXXDEW-UHFFFAOYSA-N 1 2 235.718 2.792 20 0 BFADLO CCOc1ccc(C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC001139599996 991277652 /nfs/dbraw/zinc/27/76/52/991277652.db2.gz LAFRLLANQAGGON-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO CCOc1ccc(C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC001139599996 991277666 /nfs/dbraw/zinc/27/76/66/991277666.db2.gz LAFRLLANQAGGON-ZDUSSCGKSA-N 1 2 249.354 2.614 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)nc1 ZINC001139839604 991401169 /nfs/dbraw/zinc/40/11/69/991401169.db2.gz KELFFEWKSRVLLS-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)nc1 ZINC001139839604 991401173 /nfs/dbraw/zinc/40/11/73/991401173.db2.gz KELFFEWKSRVLLS-CHWSQXEVSA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@@H+]2CCc3occc3C2)nc1 ZINC001139842659 991401441 /nfs/dbraw/zinc/40/14/41/991401441.db2.gz UALKAWBDMVXUBY-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1ccc(C[N@H+]2CCc3occc3C2)nc1 ZINC001139842659 991401443 /nfs/dbraw/zinc/40/14/43/991401443.db2.gz UALKAWBDMVXUBY-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Oc1ccc(F)c(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001140051021 991504505 /nfs/dbraw/zinc/50/45/05/991504505.db2.gz SJRWNUXLKZQVKN-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Oc1ccc(F)c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001140051021 991504514 /nfs/dbraw/zinc/50/45/14/991504514.db2.gz SJRWNUXLKZQVKN-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO C[N@@H+](Cc1ccccn1)Cc1ccc(O)cc1F ZINC001140125305 991527155 /nfs/dbraw/zinc/52/71/55/991527155.db2.gz ZNNQVCZLDPKPOJ-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@H+](Cc1ccccn1)Cc1ccc(O)cc1F ZINC001140125305 991527144 /nfs/dbraw/zinc/52/71/44/991527144.db2.gz ZNNQVCZLDPKPOJ-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c(F)c1 ZINC001560693135 991555169 /nfs/dbraw/zinc/55/51/69/991555169.db2.gz YBSCMAKNTVCHRG-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c(F)c1 ZINC001560693135 991555179 /nfs/dbraw/zinc/55/51/79/991555179.db2.gz YBSCMAKNTVCHRG-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cc(N2CCCOCC2)[nH+]c2ccccc12 ZINC001318044796 991613113 /nfs/dbraw/zinc/61/31/13/991613113.db2.gz XAAWFWDXZWPABM-UHFFFAOYSA-N 1 2 242.322 2.770 20 0 BFADLO Fc1cc(Cl)cc(C[NH+]2CC=CC2)c1 ZINC001140535498 991662416 /nfs/dbraw/zinc/66/24/16/991662416.db2.gz MESCCORYVASZEU-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO CC[C@H]1CCCCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318706680 991703048 /nfs/dbraw/zinc/70/30/48/991703048.db2.gz AFSAYRWLHHHCDR-STQMWFEESA-N 1 2 249.358 2.625 20 0 BFADLO C/C=C/C(=O)Nc1ccc(-n2cc[nH+]c2)c(C)c1 ZINC001565582211 991789621 /nfs/dbraw/zinc/78/96/21/991789621.db2.gz MEXDQKGYBYYFNZ-ONEGZZNKSA-N 1 2 241.294 2.695 20 0 BFADLO CC[C@@H](Cc1ccccc1)[N@@H+]1CCCC(=O)C1 ZINC001258850628 991885396 /nfs/dbraw/zinc/88/53/96/991885396.db2.gz LDZHNSMGXCDWAJ-AWEZNQCLSA-N 1 2 231.339 2.673 20 0 BFADLO CC[C@@H](Cc1ccccc1)[N@H+]1CCCC(=O)C1 ZINC001258850628 991885399 /nfs/dbraw/zinc/88/53/99/991885399.db2.gz LDZHNSMGXCDWAJ-AWEZNQCLSA-N 1 2 231.339 2.673 20 0 BFADLO Cc1cccnc1C[NH2+]Cc1cc(C(C)C)no1 ZINC001319989597 992063700 /nfs/dbraw/zinc/06/37/00/992063700.db2.gz SJCWLSUZMIFGMQ-UHFFFAOYSA-N 1 2 245.326 2.791 20 0 BFADLO CCC[C@H](C)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001320197848 992128954 /nfs/dbraw/zinc/12/89/54/992128954.db2.gz FRICDEKTXMQUPE-VHSXEESVSA-N 1 2 234.303 2.779 20 0 BFADLO CCC(CC)c1noc([C@H](C)n2cc[nH+]c2)n1 ZINC001320321105 992169127 /nfs/dbraw/zinc/16/91/27/992169127.db2.gz IBHDABGWGXUGFH-VIFPVBQESA-N 1 2 234.303 2.779 20 0 BFADLO CCC/C=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001568610867 992197782 /nfs/dbraw/zinc/19/77/82/992197782.db2.gz ZBHXLTPQRYZXMQ-PLNGDYQASA-N 1 2 229.283 2.629 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@H](C)COC ZINC001262107399 992677807 /nfs/dbraw/zinc/67/78/07/992677807.db2.gz LSYMYVDFYJRASI-SNVBAGLBSA-N 1 2 240.372 2.782 20 0 BFADLO C[NH2+]CC(=O)O[C@H](C)c1oc2ccccc2c1C ZINC001573895716 992755843 /nfs/dbraw/zinc/75/58/43/992755843.db2.gz OHRGLODPQYXEGO-SNVBAGLBSA-N 1 2 247.294 2.565 20 0 BFADLO FC1=CCC[N@H+](CCCC(F)(F)F)C1 ZINC001262353913 992840212 /nfs/dbraw/zinc/84/02/12/992840212.db2.gz QVFUUBDSNBVKCE-UHFFFAOYSA-N 1 2 211.202 2.888 20 0 BFADLO FC1=CCC[N@@H+](CCCC(F)(F)F)C1 ZINC001262353913 992840218 /nfs/dbraw/zinc/84/02/18/992840218.db2.gz QVFUUBDSNBVKCE-UHFFFAOYSA-N 1 2 211.202 2.888 20 0 BFADLO CCOC1CCN(c2cc(F)cc(C)[nH+]2)CC1 ZINC001262679847 993022125 /nfs/dbraw/zinc/02/21/25/993022125.db2.gz FYWMDKATLSPTFS-UHFFFAOYSA-N 1 2 238.306 2.534 20 0 BFADLO CC(C)Oc1ccc[nH+]c1NC[C@@H]1CCC=CO1 ZINC000379986463 993301498 /nfs/dbraw/zinc/30/14/98/993301498.db2.gz KWVREUJYJPJESC-LBPRGKRZSA-N 1 2 248.326 2.973 20 0 BFADLO Cc1ccc2[nH]c([C@H]3CCOC3)[nH+]c2c1C ZINC000380794171 993349452 /nfs/dbraw/zinc/34/94/52/993349452.db2.gz FXGQJIREJTZJBQ-JTQLQIEISA-N 1 2 216.284 2.684 20 0 BFADLO Cc1cc(C[N@H+]2CCC(=O)C[C@H]2C)cs1 ZINC000381640036 993412505 /nfs/dbraw/zinc/41/25/05/993412505.db2.gz WVKZSAQFJZRKIB-SECBINFHSA-N 1 2 223.341 2.610 20 0 BFADLO Cc1cc(C[N@@H+]2CCC(=O)C[C@H]2C)cs1 ZINC000381640036 993412507 /nfs/dbraw/zinc/41/25/07/993412507.db2.gz WVKZSAQFJZRKIB-SECBINFHSA-N 1 2 223.341 2.610 20 0 BFADLO CCn1c[nH+]cc1COC(=O)/C=C\C1CCCC1 ZINC001263663071 993455073 /nfs/dbraw/zinc/45/50/73/993455073.db2.gz TWRLOJRCLARDGO-FPLPWBNLSA-N 1 2 248.326 2.693 20 0 BFADLO COc1cc(C)ccc1Nc1ccc(N)[nH+]c1 ZINC000383779240 993516439 /nfs/dbraw/zinc/51/64/39/993516439.db2.gz WSJSRBCYJXWBBZ-UHFFFAOYSA-N 1 2 229.283 2.555 20 0 BFADLO Cc1cc(C)c(NC(=O)[C@H](F)C(C)C)c(C)[nH+]1 ZINC001264804773 993763707 /nfs/dbraw/zinc/76/37/07/993763707.db2.gz UNHVOFDSOJRULU-LLVKDONJSA-N 1 2 238.306 2.939 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000725329742 994098561 /nfs/dbraw/zinc/09/85/61/994098561.db2.gz CVNMLODOXVPGBA-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000725329742 994098577 /nfs/dbraw/zinc/09/85/77/994098577.db2.gz CVNMLODOXVPGBA-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO CCc1cc(NC2CC(C)C2)nc(CC)[nH+]1 ZINC001306990493 995280745 /nfs/dbraw/zinc/28/07/45/995280745.db2.gz SYSRZLUNJJUGSI-UHFFFAOYSA-N 1 2 219.332 2.812 20 0 BFADLO COCc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389925872 398149404 /nfs/dbraw/zinc/14/94/04/398149404.db2.gz CLXSKSBLXQKFGX-VIFPVBQESA-N 1 2 229.270 2.576 20 0 BFADLO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(F)F ZINC000389926498 398149414 /nfs/dbraw/zinc/14/94/14/398149414.db2.gz WNLKCJGYYMYDQZ-MRVPVSSYSA-N 1 2 224.254 2.911 20 0 BFADLO COc1ccc(C)cc1C[NH2+][C@@H](C)C(F)F ZINC000389952120 398150977 /nfs/dbraw/zinc/15/09/77/398150977.db2.gz XORVIJPODDOGSH-VIFPVBQESA-N 1 2 229.270 2.747 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3cccc(F)c3C2)on1 ZINC000271090135 178003436 /nfs/dbraw/zinc/00/34/36/178003436.db2.gz HIFKWQPIOXHKEM-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(C[N@H+]2CCc3cccc(F)c3C2)on1 ZINC000271090135 178003439 /nfs/dbraw/zinc/00/34/39/178003439.db2.gz HIFKWQPIOXHKEM-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO C[C@H]([NH2+]C/C=C\c1ccccc1)C(F)F ZINC000389932536 398151105 /nfs/dbraw/zinc/15/11/05/398151105.db2.gz JPWIKTARRDLKCD-NVDWLVSRSA-N 1 2 211.255 2.943 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cncc(F)c1 ZINC000389968958 398153233 /nfs/dbraw/zinc/15/32/33/398153233.db2.gz QNVRIZKXWOVOAX-RQJHMYQMSA-N 1 2 218.222 2.525 20 0 BFADLO C[C@@H](Nc1c[nH]c[nH+]1)C1C(C)(C)C1(C)C ZINC000380318284 398171550 /nfs/dbraw/zinc/17/15/50/398171550.db2.gz JOYUBKCORCLGPT-MRVPVSSYSA-N 1 2 207.321 2.892 20 0 BFADLO Cc1cc(CNc2cc(C)[nH+]c(C3CC3)n2)on1 ZINC000110102625 178041001 /nfs/dbraw/zinc/04/10/01/178041001.db2.gz DXYONSQFMVLTOU-UHFFFAOYSA-N 1 2 244.298 2.571 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1ccc(N(C)C)[nH+]c1 ZINC000083390374 398185805 /nfs/dbraw/zinc/18/58/05/398185805.db2.gz UQCBVGJCLKXMID-PWSUYJOCSA-N 1 2 219.332 2.748 20 0 BFADLO CCCCN(CC)c1cc(NCC2CC2)[nH+]cn1 ZINC000340018921 398187280 /nfs/dbraw/zinc/18/72/80/398187280.db2.gz NBFLBQZNTBQCBS-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO CCCCN(CC)c1cc(NCC2CC2)nc[nH+]1 ZINC000340018921 398187284 /nfs/dbraw/zinc/18/72/84/398187284.db2.gz NBFLBQZNTBQCBS-UHFFFAOYSA-N 1 2 248.374 2.925 20 0 BFADLO Cc1cc(F)cc2c1C[N@H+](Cc1cocn1)CC2 ZINC000337416314 178080201 /nfs/dbraw/zinc/08/02/01/178080201.db2.gz UDOMARVHFRUWNW-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc(F)cc2c1C[N@@H+](Cc1cocn1)CC2 ZINC000337416314 178080203 /nfs/dbraw/zinc/08/02/03/178080203.db2.gz UDOMARVHFRUWNW-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO CC[C@@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000342196358 398189390 /nfs/dbraw/zinc/18/93/90/398189390.db2.gz FOAZKQNUJWLXRO-MRVPVSSYSA-N 1 2 218.304 2.501 20 0 BFADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCOC[C@@H]1C ZINC000280231973 178094962 /nfs/dbraw/zinc/09/49/62/178094962.db2.gz KKTLITQOEOCNBJ-SWLSCSKDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCOC[C@@H]1C ZINC000280231973 178094964 /nfs/dbraw/zinc/09/49/64/178094964.db2.gz KKTLITQOEOCNBJ-SWLSCSKDSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N(C)CCc2ccc(F)cc2)nc[nH+]1 ZINC000301232643 178098257 /nfs/dbraw/zinc/09/82/57/178098257.db2.gz IOAHRFVCJKXIQM-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO Cc1cc(N(C)CCCc2ccccc2)nc[nH+]1 ZINC000301237290 178099029 /nfs/dbraw/zinc/09/90/29/178099029.db2.gz KXGYZICVJNLMDV-UHFFFAOYSA-N 1 2 241.338 2.854 20 0 BFADLO Cc1cc(N(C)[C@@H]2CCc3ccccc32)nc[nH+]1 ZINC000301231062 178100408 /nfs/dbraw/zinc/10/04/08/178100408.db2.gz HRYGUWRQSQOWLM-CQSZACIVSA-N 1 2 239.322 2.909 20 0 BFADLO O=C(C[N@@H+]1CCC2(CCC2)C1)c1ccccc1F ZINC000380386925 398194624 /nfs/dbraw/zinc/19/46/24/398194624.db2.gz ZKVAXQKVQZBZCJ-UHFFFAOYSA-N 1 2 247.313 2.884 20 0 BFADLO O=C(C[N@H+]1CCC2(CCC2)C1)c1ccccc1F ZINC000380386925 398194626 /nfs/dbraw/zinc/19/46/26/398194626.db2.gz ZKVAXQKVQZBZCJ-UHFFFAOYSA-N 1 2 247.313 2.884 20 0 BFADLO Cc1cc(N(Cc2ccccc2)C2CC2)nc[nH+]1 ZINC000301295025 178102417 /nfs/dbraw/zinc/10/24/17/178102417.db2.gz VLBDGEJBFXZGKC-UHFFFAOYSA-N 1 2 239.322 2.954 20 0 BFADLO Cc1cc(N2CC(C)(C)[C@H]3CCC[C@@H]32)nc[nH+]1 ZINC000338817792 178112007 /nfs/dbraw/zinc/11/20/07/178112007.db2.gz VEDJYNTWJNFSPD-RYUDHWBXSA-N 1 2 231.343 2.800 20 0 BFADLO Cc1cc(N2CC[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301250556 178117401 /nfs/dbraw/zinc/11/74/01/178117401.db2.gz RPUWUZZLIPPJPV-RYUDHWBXSA-N 1 2 217.316 2.554 20 0 BFADLO Cc1cc(N2CC[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000301791556 178119492 /nfs/dbraw/zinc/11/94/92/178119492.db2.gz ZQTLVELBUMZCFG-QWRGUYRKSA-N 1 2 219.332 2.657 20 0 BFADLO Cc1cc(NC(=O)NCC2CCCC2)cc[nH+]1 ZINC000270987353 178138669 /nfs/dbraw/zinc/13/86/69/178138669.db2.gz AYFJMERMQCYFBG-UHFFFAOYSA-N 1 2 233.315 2.702 20 0 BFADLO Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000268229371 178120803 /nfs/dbraw/zinc/12/08/03/178120803.db2.gz LFKOJHNYHPECSG-STQMWFEESA-N 1 2 243.354 2.899 20 0 BFADLO Cc1cc(N2C[C@@H](C)[C@H]2c2ccccc2)nc[nH+]1 ZINC000301475374 178120865 /nfs/dbraw/zinc/12/08/65/178120865.db2.gz SDXDGBCYVRBHOR-ABAIWWIYSA-N 1 2 239.322 2.982 20 0 BFADLO Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000268229370 178122522 /nfs/dbraw/zinc/12/25/22/178122522.db2.gz LFKOJHNYHPECSG-CHWSQXEVSA-N 1 2 243.354 2.899 20 0 BFADLO Cc1cc(NC(=O)C2=CCCCC2)cc[nH+]1 ZINC000133406207 178124864 /nfs/dbraw/zinc/12/48/64/178124864.db2.gz STHUTKOCKZQMEH-UHFFFAOYSA-N 1 2 216.284 2.829 20 0 BFADLO Cc1cc(NC(=O)C2[C@@H]3CCCC[C@H]23)cc[nH+]1 ZINC000081386616 178127237 /nfs/dbraw/zinc/12/72/37/178127237.db2.gz JPWLMUWZTMBYDN-FUNVUKJBSA-N 1 2 230.311 2.765 20 0 BFADLO Fc1cc(Cl)ccc1C[NH2+]Cc1ccon1 ZINC000162970602 538926165 /nfs/dbraw/zinc/92/61/65/538926165.db2.gz YVJOQTWZBJJYTF-UHFFFAOYSA-N 1 2 240.665 2.757 20 0 BFADLO Cc1cc(NC(=O)NCC2(C3CC3)CC2)cc[nH+]1 ZINC000119310290 178139349 /nfs/dbraw/zinc/13/93/49/178139349.db2.gz FWWKYMOZHMRLSX-UHFFFAOYSA-N 1 2 245.326 2.702 20 0 BFADLO Cc1cc(NC(=O)N(C)CCC2CC2)cc[nH+]1 ZINC000119945550 178136617 /nfs/dbraw/zinc/13/66/17/178136617.db2.gz WIZGTQUZBVJHBT-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO Cc1cc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cc[nH+]1 ZINC000120216161 178137525 /nfs/dbraw/zinc/13/75/25/178137525.db2.gz MPCAFAXMARMGKN-RYUDHWBXSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1cc(NC(=O)NC2(C(C)C)CC2)cc[nH+]1 ZINC000297721203 178137958 /nfs/dbraw/zinc/13/79/58/178137958.db2.gz JTYRXDNSXYZATH-UHFFFAOYSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cc(NC(=O)N[C@@H]2CC=CCC2)cc[nH+]1 ZINC000179832146 178141230 /nfs/dbraw/zinc/14/12/30/178141230.db2.gz WRRZPGNQWJRTCN-LLVKDONJSA-N 1 2 231.299 2.620 20 0 BFADLO Cc1cc(NC(=O)[C@H]2C[C@@H]2C(C)C)cc[nH+]1 ZINC000186025308 178149149 /nfs/dbraw/zinc/14/91/49/178149149.db2.gz KFKXRPUZQVUWII-NEPJUHHUSA-N 1 2 218.300 2.621 20 0 BFADLO Cc1cc(NC2CCC(C)CC2)nc[nH+]1 ZINC000040727103 178154895 /nfs/dbraw/zinc/15/48/95/178154895.db2.gz DLZUFPAJFPZQNX-UHFFFAOYSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1cc(NCC2(C3CC3)CCC2)nc[nH+]1 ZINC000128396304 178156417 /nfs/dbraw/zinc/15/64/17/178156417.db2.gz VLKBCZFFZRFLOL-UHFFFAOYSA-N 1 2 217.316 2.777 20 0 BFADLO Cc1cc(NCCc2ccc[nH]2)nc(C2CC2)[nH+]1 ZINC000271694677 178163646 /nfs/dbraw/zinc/16/36/46/178163646.db2.gz FXPSSSKGNWOGRZ-UHFFFAOYSA-N 1 2 242.326 2.645 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)cc1F ZINC000576335091 365567607 /nfs/dbraw/zinc/56/76/07/365567607.db2.gz NHUWTBCGLZANNU-UPHRSURJSA-N 1 2 235.237 2.813 20 0 BFADLO Cc1cc(NC[C@@H](C)Oc2ccccc2)nc[nH+]1 ZINC000301292049 178165949 /nfs/dbraw/zinc/16/59/49/178165949.db2.gz QLQVOCMNXNTCSI-GFCCVEGCSA-N 1 2 243.310 2.664 20 0 BFADLO Cc1cc(NC[C@@]2(C)CCCO2)nc(C(C)C)[nH+]1 ZINC000094804802 178166745 /nfs/dbraw/zinc/16/67/45/178166745.db2.gz FOPWYXLGQSCTAI-CQSZACIVSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(NC[C@H](C)CO)c2cccc(F)c2[nH+]1 ZINC000121986983 178168851 /nfs/dbraw/zinc/16/88/51/178168851.db2.gz HQKGJFCBOXAXMY-VIFPVBQESA-N 1 2 248.301 2.723 20 0 BFADLO Cc1cc(NC[C@H]2CCCCO2)nc(C2CC2)[nH+]1 ZINC000116260322 178169204 /nfs/dbraw/zinc/16/92/04/178169204.db2.gz JJNFLXQZIIOCBO-GFCCVEGCSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cc(NC[C@H]2CCCCO2)nc(C(C)C)[nH+]1 ZINC000042822450 178169257 /nfs/dbraw/zinc/16/92/57/178169257.db2.gz HKPMDCUNNQZHKB-GFCCVEGCSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(NC[C@]2(C)CCCO2)nc(C(C)C)[nH+]1 ZINC000094804801 178169759 /nfs/dbraw/zinc/16/97/59/178169759.db2.gz FOPWYXLGQSCTAI-AWEZNQCLSA-N 1 2 249.358 2.889 20 0 BFADLO Cc1cc(NC[C@H]2CCCO[C@H]2C(C)C)nc[nH+]1 ZINC000301519874 178169852 /nfs/dbraw/zinc/16/98/52/178169852.db2.gz HKJCNFXNDGSVIR-OCCSQVGLSA-N 1 2 249.358 2.648 20 0 BFADLO Cc1cc(NC[C@](C)(O)C2CCCCC2)nc[nH+]1 ZINC000302710710 178170090 /nfs/dbraw/zinc/17/00/90/178170090.db2.gz KOKOCLWEQVIEBL-AWEZNQCLSA-N 1 2 249.358 2.528 20 0 BFADLO Cc1cc(NC[C@H]2C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000265300682 178170131 /nfs/dbraw/zinc/17/01/31/178170131.db2.gz CXSWCOIQXPDOKW-LDYMZIIASA-N 1 2 217.316 2.730 20 0 BFADLO Cc1cc(N[C@H]2CCCO[C@H]2CC(C)C)nc[nH+]1 ZINC000302483244 178189108 /nfs/dbraw/zinc/18/91/08/178189108.db2.gz RRMGCOLJQMJLNI-STQMWFEESA-N 1 2 249.358 2.791 20 0 BFADLO Cc1cc(NCc2nccs2)nc(C2CC2)[nH+]1 ZINC000116260081 178176880 /nfs/dbraw/zinc/17/68/80/178176880.db2.gz WXMCCTPJHFIYHR-UHFFFAOYSA-N 1 2 246.339 2.731 20 0 BFADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C)ccc1[NH+](C)C ZINC000195083284 178183297 /nfs/dbraw/zinc/18/32/97/178183297.db2.gz AXFOMDXKOUDZTL-GXTWGEPZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc([NH2+][C@@H]2CCOC[C@@H]2C)ccc1N(C)C ZINC000195083284 178183300 /nfs/dbraw/zinc/18/33/00/178183300.db2.gz AXFOMDXKOUDZTL-GXTWGEPZSA-N 1 2 248.370 2.898 20 0 BFADLO Cc1cc(N[C@H](C)Cc2cccs2)nc[nH+]1 ZINC000070852117 178185554 /nfs/dbraw/zinc/18/55/54/178185554.db2.gz VTNKHNSXBZXXKY-SNVBAGLBSA-N 1 2 233.340 2.890 20 0 BFADLO Cc1cc(N[C@H]2CCOC3(CCCC3)C2)nc[nH+]1 ZINC000301704299 178190483 /nfs/dbraw/zinc/19/04/83/178190483.db2.gz RMXPXSQERKPUBE-LBPRGKRZSA-N 1 2 247.342 2.689 20 0 BFADLO Cc1cc(N[C@H]2CCSC2)nc(C2CC2)[nH+]1 ZINC000266199181 178190620 /nfs/dbraw/zinc/19/06/20/178190620.db2.gz DAOLKYHBAKFARO-JTQLQIEISA-N 1 2 235.356 2.580 20 0 BFADLO Cc1cc(N[C@H]2C[C@H](OC(C)C)C2(C)C)nc[nH+]1 ZINC000361626644 178192427 /nfs/dbraw/zinc/19/24/27/178192427.db2.gz JTQLNXAEXIHHMT-RYUDHWBXSA-N 1 2 249.358 2.789 20 0 BFADLO Cc1cc(Nc2[nH+]cccc2N)ccc1F ZINC000061099992 178194101 /nfs/dbraw/zinc/19/41/01/178194101.db2.gz PHPILGOKHQDUOT-UHFFFAOYSA-N 1 2 217.247 2.855 20 0 BFADLO CCOc1ccc(-c2c[nH+]cn2C)cc1OCC ZINC000649425357 398227359 /nfs/dbraw/zinc/22/73/59/398227359.db2.gz OAGZJOXMWIMWLG-UHFFFAOYSA-N 1 2 246.310 2.885 20 0 BFADLO Cc1cc(OCCCO)c2cccc(C)c2[nH+]1 ZINC000354535397 178210734 /nfs/dbraw/zinc/21/07/34/178210734.db2.gz IGABKSINLJHPSV-UHFFFAOYSA-N 1 2 231.295 2.613 20 0 BFADLO Cc1nonc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000271801520 178229120 /nfs/dbraw/zinc/22/91/20/178229120.db2.gz PKEWVXVEYAEBJK-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cc([C@@H](C)N[C@@H]2CC[N@@H+](C3CC3)C2)oc1C ZINC000337403457 178230342 /nfs/dbraw/zinc/23/03/42/178230342.db2.gz QXEOXQGUBYCRLC-DGCLKSJQSA-N 1 2 248.370 2.784 20 0 BFADLO Cc1cc([C@@H](C)N[C@@H]2CC[N@H+](C3CC3)C2)oc1C ZINC000337403457 178230344 /nfs/dbraw/zinc/23/03/44/178230344.db2.gz QXEOXQGUBYCRLC-DGCLKSJQSA-N 1 2 248.370 2.784 20 0 BFADLO CCC(CC)CNC(=O)Nc1cc[nH+]cc1C ZINC000122008737 168357489 /nfs/dbraw/zinc/35/74/89/168357489.db2.gz XEXCYHFPAXHDCW-UHFFFAOYSA-N 1 2 235.331 2.948 20 0 BFADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)no1 ZINC000337234065 178232686 /nfs/dbraw/zinc/23/26/86/178232686.db2.gz AJPKLWWXPXGFMG-NXEZZACHSA-N 1 2 249.289 2.929 20 0 BFADLO Cc1cc(-c2[nH]cc[nH+]2)ccc1O[C@H]1CCOC1 ZINC000649427267 398231623 /nfs/dbraw/zinc/23/16/23/398231623.db2.gz IFYFGMMAASHUJD-LBPRGKRZSA-N 1 2 244.294 2.553 20 0 BFADLO COC(=O)[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000037257151 361783127 /nfs/dbraw/zinc/78/31/27/361783127.db2.gz HTCHKAPQDHJAGM-AWEZNQCLSA-N 1 2 249.354 2.591 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cc2ccn(C(F)F)n2)C1 ZINC000430861531 398233599 /nfs/dbraw/zinc/23/35/99/398233599.db2.gz BQBPKFHYHYSFBX-VIFPVBQESA-N 1 2 241.285 2.676 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cc2ccn(C(F)F)n2)C1 ZINC000430861531 398233602 /nfs/dbraw/zinc/23/36/02/398233602.db2.gz BQBPKFHYHYSFBX-VIFPVBQESA-N 1 2 241.285 2.676 20 0 BFADLO C[C@@H](NCc1nc(C2CC2)cs1)c1[nH]cc[nH+]1 ZINC000279113942 538935670 /nfs/dbraw/zinc/93/56/70/538935670.db2.gz WMYYYIYHOWQPKQ-MRVPVSSYSA-N 1 2 248.355 2.594 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2cnc(C)s2)no1 ZINC000282596178 178251950 /nfs/dbraw/zinc/25/19/50/178251950.db2.gz HERIBXZVJLSQHY-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccncc2)no1 ZINC000369618650 178267100 /nfs/dbraw/zinc/26/71/00/178267100.db2.gz JVXNRQXJNFCOQC-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccncc2)no1 ZINC000369618650 178267103 /nfs/dbraw/zinc/26/71/03/178267103.db2.gz JVXNRQXJNFCOQC-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000645398431 398241359 /nfs/dbraw/zinc/24/13/59/398241359.db2.gz QXICFUIYPRGOEL-GARJFASQSA-N 1 2 242.326 2.867 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N(C)CCCCO ZINC000302787439 178298563 /nfs/dbraw/zinc/29/85/63/178298563.db2.gz WWACYYCLTIECTF-UHFFFAOYSA-N 1 2 244.338 2.752 20 0 BFADLO Cc1cc2cc(C[NH2+]Cc3cocn3)ccc2[nH]1 ZINC000353145687 178294657 /nfs/dbraw/zinc/29/46/57/178294657.db2.gz XEXUSVRWNYWPRM-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO Cc1cc2[nH+]cn(CCC(C)(C)O)c2cc1C ZINC000081676217 178306325 /nfs/dbraw/zinc/30/63/25/178306325.db2.gz PETLYZRNEGMXEM-UHFFFAOYSA-N 1 2 232.327 2.814 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000178051319 538952607 /nfs/dbraw/zinc/95/26/07/538952607.db2.gz SCJRLTHQLHICGC-LBPRGKRZSA-N 1 2 240.297 2.828 20 0 BFADLO FC(F)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000178051319 538952608 /nfs/dbraw/zinc/95/26/08/538952608.db2.gz SCJRLTHQLHICGC-LBPRGKRZSA-N 1 2 240.297 2.828 20 0 BFADLO O=C1CCC(C[N@H+]2CCCC[C@H]2C(F)F)CC1 ZINC000335130726 136233298 /nfs/dbraw/zinc/23/32/98/136233298.db2.gz LMTXSDHHMALJJN-LBPRGKRZSA-N 1 2 245.313 2.865 20 0 BFADLO O=C1CCC(C[N@@H+]2CCCC[C@H]2C(F)F)CC1 ZINC000335130726 136233299 /nfs/dbraw/zinc/23/32/99/136233299.db2.gz LMTXSDHHMALJJN-LBPRGKRZSA-N 1 2 245.313 2.865 20 0 BFADLO Cc1ccc(CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000345806931 136233333 /nfs/dbraw/zinc/23/33/33/136233333.db2.gz OLUBXWLPWREOMC-UHFFFAOYSA-N 1 2 225.282 2.879 20 0 BFADLO Cc1ccc(CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000345806931 136233334 /nfs/dbraw/zinc/23/33/34/136233334.db2.gz OLUBXWLPWREOMC-UHFFFAOYSA-N 1 2 225.282 2.879 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000334666483 398272644 /nfs/dbraw/zinc/27/26/44/398272644.db2.gz SJACDNLDXPGRRX-IINYFYTJSA-N 1 2 247.342 2.594 20 0 BFADLO CC(C)[C@H]1CCN1c1cc[nH+]c(C2CC2)n1 ZINC000334666253 398272719 /nfs/dbraw/zinc/27/27/19/398272719.db2.gz INAOSKQPKHPIDZ-LLVKDONJSA-N 1 2 217.316 2.589 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)o1 ZINC000602553045 349594503 /nfs/dbraw/zinc/59/45/03/349594503.db2.gz HTWLAEIZRRTPEQ-RNCFNFMXSA-N 1 2 243.310 2.716 20 0 BFADLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)CC(F)F ZINC000180981468 538959708 /nfs/dbraw/zinc/95/97/08/538959708.db2.gz ZTZIQVCGZUIMMS-NSHDSACASA-N 1 2 243.297 2.525 20 0 BFADLO C[C@@H](CCO)[N@H+](Cc1ccccc1)CC(F)F ZINC000180981468 538959709 /nfs/dbraw/zinc/95/97/09/538959709.db2.gz ZTZIQVCGZUIMMS-NSHDSACASA-N 1 2 243.297 2.525 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000176197785 365686817 /nfs/dbraw/zinc/68/68/17/365686817.db2.gz DTUHSYHUTRHLST-NWDGAFQWSA-N 1 2 230.311 2.683 20 0 BFADLO CCC[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(=O)OC ZINC000083381210 398278049 /nfs/dbraw/zinc/27/80/49/398278049.db2.gz CPDJSYWNHNXLIY-TZMCWYRMSA-N 1 2 249.354 2.721 20 0 BFADLO C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000335291986 398284627 /nfs/dbraw/zinc/28/46/27/398284627.db2.gz MQSWWKLYDZLHAY-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)CC1(F)F ZINC000335291986 398284629 /nfs/dbraw/zinc/28/46/29/398284629.db2.gz MQSWWKLYDZLHAY-QWRGUYRKSA-N 1 2 233.302 2.533 20 0 BFADLO CCc1cc(N[C@@H](C)CC(C)C)nc[nH+]1 ZINC000040765091 538972659 /nfs/dbraw/zinc/97/26/59/538972659.db2.gz GUSMQQCLJMQMOL-JTQLQIEISA-N 1 2 207.321 2.886 20 0 BFADLO COc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630049265 361918798 /nfs/dbraw/zinc/91/87/98/361918798.db2.gz BMZUZLISUKUOAJ-UHFFFAOYSA-N 1 2 228.295 2.895 20 0 BFADLO OCc1ccc(F)cc1-c1c[nH+]c2n1CCCC2 ZINC000630051989 361919705 /nfs/dbraw/zinc/91/97/05/361919705.db2.gz GSYPGXWKUVPZNB-UHFFFAOYSA-N 1 2 246.285 2.518 20 0 BFADLO CCn1nc(C)cc1-c1c[nH+]c(C(C)C)n1C ZINC000630052730 361920887 /nfs/dbraw/zinc/92/08/87/361920887.db2.gz KDHCPWOYKROCGY-UHFFFAOYSA-N 1 2 232.331 2.735 20 0 BFADLO Oc1ccc([C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000624723971 342822275 /nfs/dbraw/zinc/82/22/75/342822275.db2.gz MITSFCRFBVNDGD-ZDUSSCGKSA-N 1 2 240.306 2.781 20 0 BFADLO CN(C(=O)CCc1c[nH+]c[nH]1)C1CCCCCC1 ZINC000188540983 538979545 /nfs/dbraw/zinc/97/95/45/538979545.db2.gz FQIAVKOVPNRZSH-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO CN(C(=O)CCc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000188540983 538979547 /nfs/dbraw/zinc/97/95/47/538979547.db2.gz FQIAVKOVPNRZSH-UHFFFAOYSA-N 1 2 249.358 2.524 20 0 BFADLO Cc1ccc(CO)c(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053827 361924526 /nfs/dbraw/zinc/92/45/26/361924526.db2.gz VBXHYHSVHLYYQA-UHFFFAOYSA-N 1 2 242.322 2.687 20 0 BFADLO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000381485046 539002088 /nfs/dbraw/zinc/00/20/88/539002088.db2.gz UWGBTTBRALUCJB-XCBNKYQSSA-N 1 2 229.274 2.557 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccncc1 ZINC000381485095 539002432 /nfs/dbraw/zinc/00/24/32/539002432.db2.gz UXFKGHVWJUNIQH-KOLCDFICSA-N 1 2 226.270 2.920 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000193321616 539004644 /nfs/dbraw/zinc/00/46/44/539004644.db2.gz HEWJHHADDUFNJO-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO CC[C@@H]1CCCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000193321616 539004646 /nfs/dbraw/zinc/00/46/46/539004646.db2.gz HEWJHHADDUFNJO-CYBMUJFWSA-N 1 2 249.358 2.524 20 0 BFADLO CCc1ncc(C[NH2+][C@H]2CCCC2(F)F)s1 ZINC000381768676 539007139 /nfs/dbraw/zinc/00/71/39/539007139.db2.gz VTRGRYQPSIBUGA-VIFPVBQESA-N 1 2 246.326 2.983 20 0 BFADLO Cc1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC000634423515 361944801 /nfs/dbraw/zinc/94/48/01/361944801.db2.gz PXNPXMAACFFDCS-VIFPVBQESA-N 1 2 249.339 2.843 20 0 BFADLO CCc1cc(N[C@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000381243771 538996745 /nfs/dbraw/zinc/99/67/45/538996745.db2.gz NUKGRLZKJFDRDM-VIFPVBQESA-N 1 2 227.258 2.639 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000390329072 539021014 /nfs/dbraw/zinc/02/10/14/539021014.db2.gz KACFWGYKJIRKSQ-NKWVEPMBSA-N 1 2 235.253 2.710 20 0 BFADLO Cc1nc(C)c([C@H](C)[NH2+]Cc2cocn2)s1 ZINC000390465290 539022372 /nfs/dbraw/zinc/02/23/72/539022372.db2.gz HPPUKCVPYAOYEC-ZETCQYMHSA-N 1 2 237.328 2.599 20 0 BFADLO CC[C@@H](NC(=O)Nc1cc[nH+]c(C)c1)C(C)(C)C ZINC000348847313 136242208 /nfs/dbraw/zinc/24/22/08/136242208.db2.gz BTIOIAGNYOASNP-GFCCVEGCSA-N 1 2 249.358 2.758 20 0 BFADLO CC[C@H](Nc1nc[nH+]c(N)c1Cl)C(C)(C)C ZINC000390142945 539019737 /nfs/dbraw/zinc/01/97/37/539019737.db2.gz PQHJNYIMZUXLKS-ZETCQYMHSA-N 1 2 242.754 2.949 20 0 BFADLO CC[C@H](Nc1[nH+]cnc(N)c1Cl)C(C)(C)C ZINC000390142945 539019738 /nfs/dbraw/zinc/01/97/38/539019738.db2.gz PQHJNYIMZUXLKS-ZETCQYMHSA-N 1 2 242.754 2.949 20 0 BFADLO CCCCc1cc(N[C@@H](C)CF)nc[nH+]1 ZINC000631286523 342855988 /nfs/dbraw/zinc/85/59/88/342855988.db2.gz VMGUUCUAMSSIRL-VIFPVBQESA-N 1 2 211.284 2.589 20 0 BFADLO CCn1c[nH+]cc1CNc1cc(F)ccc1OC ZINC000417942701 398309442 /nfs/dbraw/zinc/30/94/42/398309442.db2.gz AKBADCFLFNHTRL-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CCO[C@@H](C[N@H+](CC(F)F)C1CC1)C1CC1 ZINC000625156735 342896667 /nfs/dbraw/zinc/89/66/67/342896667.db2.gz WILAASASTHGTKZ-NSHDSACASA-N 1 2 233.302 2.531 20 0 BFADLO CCO[C@@H](C[N@@H+](CC(F)F)C1CC1)C1CC1 ZINC000625156735 342896669 /nfs/dbraw/zinc/89/66/69/342896669.db2.gz WILAASASTHGTKZ-NSHDSACASA-N 1 2 233.302 2.531 20 0 BFADLO COCC[N@H+](CC(F)F)CC1CC(C)(C)C1 ZINC000625137767 342888223 /nfs/dbraw/zinc/88/82/23/342888223.db2.gz UJPMTXSTHUKTDK-UHFFFAOYSA-N 1 2 235.318 2.636 20 0 BFADLO COCC[N@@H+](CC(F)F)CC1CC(C)(C)C1 ZINC000625137767 342888225 /nfs/dbraw/zinc/88/82/25/342888225.db2.gz UJPMTXSTHUKTDK-UHFFFAOYSA-N 1 2 235.318 2.636 20 0 BFADLO C[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625185396 342904767 /nfs/dbraw/zinc/90/47/67/342904767.db2.gz BVVIIXAKFBAYFO-QWRGUYRKSA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)[C@H]1C ZINC000625185396 342904768 /nfs/dbraw/zinc/90/47/68/342904768.db2.gz BVVIIXAKFBAYFO-QWRGUYRKSA-N 1 2 249.358 2.958 20 0 BFADLO Cn1cc[nH+]c1CNc1cccc(Cl)c1 ZINC000036804465 342911645 /nfs/dbraw/zinc/91/16/45/342911645.db2.gz MBZTUCZYCDLJIJ-UHFFFAOYSA-N 1 2 221.691 2.686 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCC12CCC2)C(=O)OC(C)(C)C ZINC000602611953 349635521 /nfs/dbraw/zinc/63/55/21/349635521.db2.gz OQHPNWJNRCQBBG-MNOVXSKESA-N 1 2 239.359 2.639 20 0 BFADLO C[C@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OC(C)(C)C ZINC000602611957 349635535 /nfs/dbraw/zinc/63/55/35/349635535.db2.gz OQHPNWJNRCQBBG-WDEREUQCSA-N 1 2 239.359 2.639 20 0 BFADLO c1ccc2[nH+]c(N[C@H]3CCCOC3)ccc2c1 ZINC000103955992 398323306 /nfs/dbraw/zinc/32/33/06/398323306.db2.gz NLGHAHANZMEBKE-LBPRGKRZSA-N 1 2 228.295 2.826 20 0 BFADLO CCOc1cccc(C[NH2+][C@H](C)c2ccon2)c1 ZINC000351600622 136247699 /nfs/dbraw/zinc/24/76/99/136247699.db2.gz ZPAGRHWXVOEBMI-LLVKDONJSA-N 1 2 246.310 2.924 20 0 BFADLO Cc1nnc(C[N@@H+](C)Cc2cc(C)ccc2C)o1 ZINC000351652590 136249457 /nfs/dbraw/zinc/24/94/57/136249457.db2.gz SLQBFLLHDKYYFT-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nnc(C[N@H+](C)Cc2cc(C)ccc2C)o1 ZINC000351652590 136249458 /nfs/dbraw/zinc/24/94/58/136249458.db2.gz SLQBFLLHDKYYFT-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc2ccccc2[nH+]c1NCCF ZINC000308795222 346912552 /nfs/dbraw/zinc/91/25/52/346912552.db2.gz JXDSLOAKCNENFE-UHFFFAOYSA-N 1 2 204.248 2.925 20 0 BFADLO CCN(C#N)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000602768158 349723569 /nfs/dbraw/zinc/72/35/69/349723569.db2.gz WOLBQADQDJZEFT-LBPRGKRZSA-N 1 2 249.333 2.621 20 0 BFADLO CCN(C#N)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000602768158 349723573 /nfs/dbraw/zinc/72/35/73/349723573.db2.gz WOLBQADQDJZEFT-LBPRGKRZSA-N 1 2 249.333 2.621 20 0 BFADLO CCOC(=O)C[N@H+](CC)Cc1cc(C)ccc1C ZINC000049948254 343019316 /nfs/dbraw/zinc/01/93/16/343019316.db2.gz IXECTQXBKSNQDM-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CCOC(=O)C[N@@H+](CC)Cc1cc(C)ccc1C ZINC000049948254 343019317 /nfs/dbraw/zinc/01/93/17/343019317.db2.gz IXECTQXBKSNQDM-UHFFFAOYSA-N 1 2 249.354 2.688 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1C[C@H]1C)C(F)(F)F ZINC000625258944 343125763 /nfs/dbraw/zinc/12/57/63/343125763.db2.gz WGKIBOFUUFUPAJ-HLTSFMKQSA-N 1 2 209.255 2.963 20 0 BFADLO C[C@@H](CC(=O)N[C@H]1CCC[C@@H](C)C1)n1cc[nH+]c1 ZINC000576880314 365713442 /nfs/dbraw/zinc/71/34/42/365713442.db2.gz ULHWQGSSDJVTJD-AGIUHOORSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(CNC(=O)C[C@@H](C)C(C)C)cc(C)[nH+]1 ZINC000421581271 192356601 /nfs/dbraw/zinc/35/66/01/192356601.db2.gz XYZUEAGGWDGYHG-LLVKDONJSA-N 1 2 248.370 2.997 20 0 BFADLO Cc1cnccc1C[NH2+][C@@H](C)c1cscn1 ZINC000129734939 343185019 /nfs/dbraw/zinc/18/50/19/343185019.db2.gz QHHPYGNNPOOQLB-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO FC(F)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124600632 343163604 /nfs/dbraw/zinc/16/36/04/343163604.db2.gz CTRJDYLLLBZZQU-UHFFFAOYSA-N 1 2 221.197 2.979 20 0 BFADLO C[C@H]1C[N@@H+](Cc2noc(C3CCC3)n2)CC[C@@H]1C ZINC000625281153 343219378 /nfs/dbraw/zinc/21/93/78/343219378.db2.gz SDYIBJCHGVAFRZ-QWRGUYRKSA-N 1 2 249.358 2.815 20 0 BFADLO C[C@H]1C[N@H+](Cc2noc(C3CCC3)n2)CC[C@@H]1C ZINC000625281153 343219379 /nfs/dbraw/zinc/21/93/79/343219379.db2.gz SDYIBJCHGVAFRZ-QWRGUYRKSA-N 1 2 249.358 2.815 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccon2)c(C)o1 ZINC000088052867 136284450 /nfs/dbraw/zinc/28/44/50/136284450.db2.gz HDGVWJSBJREMKF-SECBINFHSA-N 1 2 220.272 2.735 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000625344121 343239811 /nfs/dbraw/zinc/23/98/11/343239811.db2.gz RCVVRHPFFPQKPR-PWSUYJOCSA-N 1 2 247.342 2.712 20 0 BFADLO C(c1noc(C2CCC2)n1)[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000625344121 343239812 /nfs/dbraw/zinc/23/98/12/343239812.db2.gz RCVVRHPFFPQKPR-PWSUYJOCSA-N 1 2 247.342 2.712 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)[C@H]1C ZINC000335607609 136298723 /nfs/dbraw/zinc/29/87/23/136298723.db2.gz ATLMUEUMXSDEGD-SFYZADRCSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)[C@H]1C ZINC000335607609 136298724 /nfs/dbraw/zinc/29/87/24/136298724.db2.gz ATLMUEUMXSDEGD-SFYZADRCSA-N 1 2 245.273 2.628 20 0 BFADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C)cc1C ZINC000037989176 343364275 /nfs/dbraw/zinc/36/42/75/343364275.db2.gz ZFJFZUQOBKBLKL-UHFFFAOYSA-N 1 2 229.327 2.625 20 0 BFADLO CCC[C@H](C)CCC[N@H+](CCO)CC(F)F ZINC000625383101 343365998 /nfs/dbraw/zinc/36/59/98/343365998.db2.gz ISAJOPHKZSRECH-NSHDSACASA-N 1 2 237.334 2.762 20 0 BFADLO CCC[C@H](C)CCC[N@@H+](CCO)CC(F)F ZINC000625383101 343365999 /nfs/dbraw/zinc/36/59/99/343365999.db2.gz ISAJOPHKZSRECH-NSHDSACASA-N 1 2 237.334 2.762 20 0 BFADLO O=c1c2ccccc2sn1C[NH+]1CCCCC1 ZINC000038634983 343378124 /nfs/dbraw/zinc/37/81/24/343378124.db2.gz NCHWTFBQYUSMGV-UHFFFAOYSA-N 1 2 248.351 2.506 20 0 BFADLO Cc1cc[nH+]cc1Cn1cc(/C=C/C(C)C)nn1 ZINC000641070540 362179508 /nfs/dbraw/zinc/17/95/08/362179508.db2.gz HAVBMBQPDZMJNT-SNAWJCMRSA-N 1 2 242.326 2.699 20 0 BFADLO Cc1[nH]c2ccc(NC(=O)C3=CCCC3)cc2[nH+]1 ZINC000348943632 136309801 /nfs/dbraw/zinc/30/98/01/136309801.db2.gz ZCLWLGIUCACNPG-UHFFFAOYSA-N 1 2 241.294 2.920 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2C[C@@H](C)[C@@H]2C)[nH+]1 ZINC000631296909 343391949 /nfs/dbraw/zinc/39/19/49/343391949.db2.gz QUMTVHHTINBUOT-ZJUUUORDSA-N 1 2 244.342 2.926 20 0 BFADLO CC(C)c1nc2[nH]ccc2c(N2C[C@@H](C)[C@H]2C)[nH+]1 ZINC000631296906 343392074 /nfs/dbraw/zinc/39/20/74/343392074.db2.gz QUMTVHHTINBUOT-NXEZZACHSA-N 1 2 244.342 2.926 20 0 BFADLO Cc1cc(CNC(=O)CC2CCCC2)cc(C)[nH+]1 ZINC000421554965 192361072 /nfs/dbraw/zinc/36/10/72/192361072.db2.gz HFEFMGYTSOJWKC-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO COc1cccc(C[NH2+][C@H](C)c2ccon2)c1 ZINC000349245910 136332554 /nfs/dbraw/zinc/33/25/54/136332554.db2.gz SBCVJCONANLJBM-SNVBAGLBSA-N 1 2 232.283 2.534 20 0 BFADLO C[C@H]([NH2+]Cc1ccccc1N(C)C)c1ccon1 ZINC000349249478 136333241 /nfs/dbraw/zinc/33/32/41/136333241.db2.gz XPMFUPSJJHXCFA-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO Cc1ccc(COc2cc[nH+]cc2)c(C)n1 ZINC000335897829 136359544 /nfs/dbraw/zinc/35/95/44/136359544.db2.gz ROXFPGAASBTSPR-UHFFFAOYSA-N 1 2 214.268 2.672 20 0 BFADLO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000350519389 136361923 /nfs/dbraw/zinc/36/19/23/136361923.db2.gz YXTLYISQAXABAH-YRGRVCCFSA-N 1 2 235.375 2.519 20 0 BFADLO O[C@@H]1CCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631298097 343455066 /nfs/dbraw/zinc/45/50/66/343455066.db2.gz XUSKPPUKVNCWIG-CHWSQXEVSA-N 1 2 228.295 2.560 20 0 BFADLO C[C@@H](CC(=O)NCC1(C)CCCC1)n1cc[nH+]c1 ZINC000576996942 365749200 /nfs/dbraw/zinc/74/92/00/365749200.db2.gz NEQCFHYEJADOPQ-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO CCC(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421562221 192362094 /nfs/dbraw/zinc/36/20/94/192362094.db2.gz URVBCKBVXPGZCJ-UHFFFAOYSA-N 1 2 234.343 2.751 20 0 BFADLO CSC[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085687575 343601462 /nfs/dbraw/zinc/60/14/62/343601462.db2.gz RBNGGIKXPQMJAJ-VIFPVBQESA-N 1 2 233.340 2.793 20 0 BFADLO CCSCc1cc[nH+]c(NC2CSC2)c1 ZINC000379915470 343653288 /nfs/dbraw/zinc/65/32/88/343653288.db2.gz BRSPLKJOCOAEKK-UHFFFAOYSA-N 1 2 240.397 2.862 20 0 BFADLO CC1=CCC[C@H](C)[C@@H]1CNc1c[nH]c[nH+]1 ZINC000380131351 343681988 /nfs/dbraw/zinc/68/19/88/343681988.db2.gz SWTWFYORQMBNSU-WDEREUQCSA-N 1 2 205.305 2.814 20 0 BFADLO Cc1nc(NCC(C2CC2)C2CC2)cc[nH+]1 ZINC000083911271 343683803 /nfs/dbraw/zinc/68/38/03/343683803.db2.gz YTKUGZBEMDZDDL-UHFFFAOYSA-N 1 2 217.316 2.633 20 0 BFADLO CC[C@]1(C)C[C@H]1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574358 192364199 /nfs/dbraw/zinc/36/41/99/192364199.db2.gz FPDDVYWCLLQPJH-DZGCQCFKSA-N 1 2 246.354 2.751 20 0 BFADLO Cn1c[nH+]cc1COc1cccc(Cl)c1 ZINC000090233682 343750710 /nfs/dbraw/zinc/75/07/10/343750710.db2.gz NGACXFOXYJBBNF-UHFFFAOYSA-N 1 2 222.675 2.653 20 0 BFADLO FC(F)(F)c1cc[nH+]c(N2CC=CCC2)c1 ZINC000238820501 537823937 /nfs/dbraw/zinc/82/39/37/537823937.db2.gz CNOXEDFOZODINC-UHFFFAOYSA-N 1 2 228.217 2.867 20 0 BFADLO Cc1c[nH+]cc(N[C@H]2CC[C@@H]2C2CC2)c1 ZINC000336729984 537832359 /nfs/dbraw/zinc/83/23/59/537832359.db2.gz JMYXHYUNRNKQPZ-OLZOCXBDSA-N 1 2 202.301 2.991 20 0 BFADLO Oc1ccc(Cl)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000625458028 343859974 /nfs/dbraw/zinc/85/99/74/343859974.db2.gz RVOKOKLFUAULSI-SECBINFHSA-N 1 2 229.682 2.589 20 0 BFADLO Oc1ccc(Cl)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000625458028 343859975 /nfs/dbraw/zinc/85/99/75/343859975.db2.gz RVOKOKLFUAULSI-SECBINFHSA-N 1 2 229.682 2.589 20 0 BFADLO Cc1ccc(N[C@@H]2CC[C@H]2C2CC2)c[nH+]1 ZINC000336732183 537832048 /nfs/dbraw/zinc/83/20/48/537832048.db2.gz LJBRCDSWUWIZLI-QWHCGFSZSA-N 1 2 202.301 2.991 20 0 BFADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625473539 343873198 /nfs/dbraw/zinc/87/31/98/343873198.db2.gz VRMXDSLWNCFRJQ-JTQLQIEISA-N 1 2 249.358 2.958 20 0 BFADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625473539 343873200 /nfs/dbraw/zinc/87/32/00/343873200.db2.gz VRMXDSLWNCFRJQ-JTQLQIEISA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)[C@H](N[C@H](C)c1[nH]cc[nH+]1)C(F)(F)F ZINC000336738152 537834808 /nfs/dbraw/zinc/83/48/08/537834808.db2.gz KBRUWJGAMYLSNQ-SFYZADRCSA-N 1 2 235.253 2.647 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2c3ccccc3O[C@H]2C)on1 ZINC000631141379 343939902 /nfs/dbraw/zinc/93/99/02/343939902.db2.gz GXGDASIVYWVZRT-HZMBPMFUSA-N 1 2 244.294 2.595 20 0 BFADLO CCO[C@H](C[N@@H+]1CCCC(F)(F)C1)C1CC1 ZINC000625511383 343913792 /nfs/dbraw/zinc/91/37/92/343913792.db2.gz SCJHFBNXEPBGLI-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CCO[C@H](C[N@H+]1CCCC(F)(F)C1)C1CC1 ZINC000625511383 343913794 /nfs/dbraw/zinc/91/37/94/343913794.db2.gz SCJHFBNXEPBGLI-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CCC[N@H+](Cc1noc(C2CCC2)n1)C(C)C ZINC000625516940 343915395 /nfs/dbraw/zinc/91/53/95/343915395.db2.gz GTTUBBVTPAZNQT-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO CCC[N@@H+](Cc1noc(C2CCC2)n1)C(C)C ZINC000625516940 343915397 /nfs/dbraw/zinc/91/53/97/343915397.db2.gz GTTUBBVTPAZNQT-UHFFFAOYSA-N 1 2 237.347 2.958 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1cnc(C)o1 ZINC000628119315 343970375 /nfs/dbraw/zinc/97/03/75/343970375.db2.gz MWQHWYNRKZRYEH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1cnc(C)o1 ZINC000628119315 343970378 /nfs/dbraw/zinc/97/03/78/343970378.db2.gz MWQHWYNRKZRYEH-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1[nH]c(CN2CCc3ccccc3C2)[nH+]c1C ZINC000628116987 343965777 /nfs/dbraw/zinc/96/57/77/343965777.db2.gz NRWROWVCARGKQC-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3C2)[nH]c1C ZINC000628116987 343965779 /nfs/dbraw/zinc/96/57/79/343965779.db2.gz NRWROWVCARGKQC-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3C2)[nH]c1C ZINC000628116987 343965781 /nfs/dbraw/zinc/96/57/81/343965781.db2.gz NRWROWVCARGKQC-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000628117912 343967729 /nfs/dbraw/zinc/96/77/29/343967729.db2.gz ZQVOXXYVLDMFNF-CYBMUJFWSA-N 1 2 227.311 2.665 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000628117912 343967730 /nfs/dbraw/zinc/96/77/30/343967730.db2.gz ZQVOXXYVLDMFNF-CYBMUJFWSA-N 1 2 227.311 2.665 20 0 BFADLO c1cc(C[NH2+]Cc2ccccc2C2CC2)[nH]n1 ZINC000094357917 537838089 /nfs/dbraw/zinc/83/80/89/537838089.db2.gz JMRJLTBUXGRRHO-UHFFFAOYSA-N 1 2 227.311 2.577 20 0 BFADLO CC[C@@H](C)Cc1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000632246108 344082356 /nfs/dbraw/zinc/08/23/56/344082356.db2.gz MJFJSSJIQJBWLN-SNVBAGLBSA-N 1 2 245.326 2.952 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(CNc2cc[nH+]cc2F)o1 ZINC000641302131 362353236 /nfs/dbraw/zinc/35/32/36/362353236.db2.gz YSPQGJGFXZSLDS-GXSJLCMTSA-N 1 2 246.285 2.971 20 0 BFADLO Clc1cccnc1C[NH+](C1CC1)C1CC1 ZINC000625841138 344094904 /nfs/dbraw/zinc/09/49/04/344094904.db2.gz CRANWMZRWFLWET-UHFFFAOYSA-N 1 2 222.719 2.862 20 0 BFADLO CC(C)[C@H]1CCCN1c1cc[nH+]cc1F ZINC000641309605 362359382 /nfs/dbraw/zinc/35/93/82/362359382.db2.gz LKAVMCFVFGUJLV-LLVKDONJSA-N 1 2 208.280 2.846 20 0 BFADLO Cc1c[nH]c(C[N@H+](Cc2cccs2)C2CC2)n1 ZINC000628131833 344159546 /nfs/dbraw/zinc/15/95/46/344159546.db2.gz KZZMWRVRIUMCMI-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO Cc1c[nH]c(C[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000628131833 344159550 /nfs/dbraw/zinc/15/95/50/344159550.db2.gz KZZMWRVRIUMCMI-UHFFFAOYSA-N 1 2 247.367 2.944 20 0 BFADLO CC1(C)CCN(c2cc[nH+]cc2F)CC1 ZINC000641334515 362366602 /nfs/dbraw/zinc/36/66/02/362366602.db2.gz JAAWIDCGSIGNEL-UHFFFAOYSA-N 1 2 208.280 2.847 20 0 BFADLO C[C@@H]1C[C@H](Nc2[nH+]c3ccccc3n2C)[C@H](C)O1 ZINC000384902838 344221558 /nfs/dbraw/zinc/22/15/58/344221558.db2.gz NQFXVWLLKNLSDI-SCVCMEIPSA-N 1 2 245.326 2.551 20 0 BFADLO CCSCC[C@@H](C)Nc1cc(CC)[nH+]cn1 ZINC000127343876 344235535 /nfs/dbraw/zinc/23/55/35/344235535.db2.gz OYFIHPQHZLVGHV-SNVBAGLBSA-N 1 2 239.388 2.983 20 0 BFADLO CS[C@@H]1CCCCN(c2cc[nH+]cc2F)C1 ZINC000603320721 349910557 /nfs/dbraw/zinc/91/05/57/349910557.db2.gz SKJJZKALNYOATD-SNVBAGLBSA-N 1 2 240.347 2.943 20 0 BFADLO CC1(C)CN(c2cc[nH+]cc2F)CCS1 ZINC000641423064 362406390 /nfs/dbraw/zinc/40/63/90/362406390.db2.gz ZNQXLOSMVZXMCL-UHFFFAOYSA-N 1 2 226.320 2.553 20 0 BFADLO CC[C@@]1(C)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000641405207 362397328 /nfs/dbraw/zinc/39/73/28/362397328.db2.gz SFQZKBLQSYVDRD-AWEZNQCLSA-N 1 2 234.343 2.590 20 0 BFADLO CCCCOCCNc1cc[nH+]c(C(C)C)n1 ZINC000110324039 344550487 /nfs/dbraw/zinc/55/04/87/344550487.db2.gz SUUALFBAZGCHFW-UHFFFAOYSA-N 1 2 237.347 2.829 20 0 BFADLO Fc1c[nH+]ccc1N1CCC(C(F)F)CC1 ZINC000641445683 362423525 /nfs/dbraw/zinc/42/35/25/362423525.db2.gz ULDQJTKHEOKLDI-UHFFFAOYSA-N 1 2 230.233 2.702 20 0 BFADLO CCC[C@@H](C)[C@H]1CCCN1c1cc(CO)cc[nH+]1 ZINC000641446306 362423654 /nfs/dbraw/zinc/42/36/54/362423654.db2.gz DZLJJPLJHFCPTB-TZMCWYRMSA-N 1 2 248.370 2.979 20 0 BFADLO OCc1cc[nH+]c(NC2CCC(F)(F)CC2)c1 ZINC000641465494 362438847 /nfs/dbraw/zinc/43/88/47/362438847.db2.gz DWJFBMDIPZWZFR-UHFFFAOYSA-N 1 2 242.269 2.564 20 0 BFADLO Fc1c[nH+]ccc1N1CCc2ccsc2C1 ZINC000641466633 362440343 /nfs/dbraw/zinc/44/03/43/362440343.db2.gz ZDULCKJKIPOVAX-UHFFFAOYSA-N 1 2 234.299 2.845 20 0 BFADLO Fc1c[nH+]ccc1N1CCC2(CCC2)C1 ZINC000641433846 362415066 /nfs/dbraw/zinc/41/50/66/362415066.db2.gz YKFGDECWKYHZLN-UHFFFAOYSA-N 1 2 206.264 2.601 20 0 BFADLO CC[C@H](CC(F)(F)F)Nc1cc(CO)cc[nH+]1 ZINC000641490076 362457227 /nfs/dbraw/zinc/45/72/27/362457227.db2.gz VGMDZJCRDQXEEO-SECBINFHSA-N 1 2 248.248 2.717 20 0 BFADLO C[C@H]1CCCCN(c2cc[nH+]cc2F)C1 ZINC000641497137 362463265 /nfs/dbraw/zinc/46/32/65/362463265.db2.gz OQIVLDNGOAIGOC-JTQLQIEISA-N 1 2 208.280 2.847 20 0 BFADLO CC[C@H](Nc1cc(C2CC2)ncn1)c1[nH]cc[nH+]1 ZINC000641518174 362472005 /nfs/dbraw/zinc/47/20/05/362472005.db2.gz UUWFKQZTFBFBTM-JTQLQIEISA-N 1 2 243.314 2.640 20 0 BFADLO C[C@H]1CCN(c2cc[nH+]cc2F)CCS1 ZINC000641533842 362483624 /nfs/dbraw/zinc/48/36/24/362483624.db2.gz BLFRVWBZZFWFPG-VIFPVBQESA-N 1 2 226.320 2.553 20 0 BFADLO CC[N@H+](CCCNC(C)=O)c1cc(C)ccc1C ZINC000178513007 344656837 /nfs/dbraw/zinc/65/68/37/344656837.db2.gz ILNCQHRRRNNGDO-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO CC[N@@H+](CCCNC(C)=O)c1cc(C)ccc1C ZINC000178513007 344656838 /nfs/dbraw/zinc/65/68/38/344656838.db2.gz ILNCQHRRRNNGDO-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccncc1F ZINC000625981295 344648016 /nfs/dbraw/zinc/64/80/16/344648016.db2.gz NUGFRKMWHWFOMG-SECBINFHSA-N 1 2 244.260 2.840 20 0 BFADLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccncc1F ZINC000625981295 344648019 /nfs/dbraw/zinc/64/80/19/344648019.db2.gz NUGFRKMWHWFOMG-SECBINFHSA-N 1 2 244.260 2.840 20 0 BFADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nnsc1Cl ZINC000075022323 344762555 /nfs/dbraw/zinc/76/25/55/344762555.db2.gz QYJLTFYRGFKVOC-HTQZYQBOSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnsc1Cl ZINC000075022323 344762556 /nfs/dbraw/zinc/76/25/56/344762556.db2.gz QYJLTFYRGFKVOC-HTQZYQBOSA-N 1 2 245.779 2.812 20 0 BFADLO CO[C@H](CNc1cccc[nH+]1)C(C)(C)C ZINC000075063340 344764384 /nfs/dbraw/zinc/76/43/84/344764384.db2.gz PVAGRDYRZNUDAH-SNVBAGLBSA-N 1 2 208.305 2.555 20 0 BFADLO CO[C@]1(C)C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000075064780 344764569 /nfs/dbraw/zinc/76/45/69/344764569.db2.gz FVZGNKPXDAKEJH-GXFFZTMASA-N 1 2 220.316 2.697 20 0 BFADLO CO[C@@]1(C)C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000075064781 344764599 /nfs/dbraw/zinc/76/45/99/344764599.db2.gz FVZGNKPXDAKEJH-MFKMUULPSA-N 1 2 220.316 2.697 20 0 BFADLO CCC(C)(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533051 344774109 /nfs/dbraw/zinc/77/41/09/344774109.db2.gz FPWSHDJUUGRPBQ-LLVKDONJSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)CCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075556903 344779098 /nfs/dbraw/zinc/77/90/98/344779098.db2.gz UFTWVTFQKKHYDE-GFCCVEGCSA-N 1 2 249.358 2.552 20 0 BFADLO CC(C)CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075556899 344779157 /nfs/dbraw/zinc/77/91/57/344779157.db2.gz UFTWVTFQKKHYDE-LBPRGKRZSA-N 1 2 249.358 2.552 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ncc(C)o2)on1 ZINC000075640409 344782473 /nfs/dbraw/zinc/78/24/73/344782473.db2.gz AKTPHUGDRGFBCM-NSHDSACASA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ncc(C)o2)on1 ZINC000075640409 344782474 /nfs/dbraw/zinc/78/24/74/344782474.db2.gz AKTPHUGDRGFBCM-NSHDSACASA-N 1 2 247.298 2.617 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ncc[nH]1 ZINC000138999348 537858912 /nfs/dbraw/zinc/85/89/12/537858912.db2.gz ZTEXAXORXKVPFA-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO Cc1nc(N2C[C@@H](C)CCC[C@@H]2C)cc[nH+]1 ZINC000078342319 344850556 /nfs/dbraw/zinc/85/05/56/344850556.db2.gz XELQLGJZRMYGBP-QWRGUYRKSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1ccc(NCc2cnc([C@H](C)O)s2)c[nH+]1 ZINC000290407640 178766812 /nfs/dbraw/zinc/76/68/12/178766812.db2.gz PXZNIPLOSHOUJW-VIFPVBQESA-N 1 2 249.339 2.512 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3ccccc3[C@@H]2C)n1 ZINC000628164112 344871669 /nfs/dbraw/zinc/87/16/69/344871669.db2.gz DMABLKSZILIEOW-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3ccccc3[C@@H]2C)n1 ZINC000628164112 344871671 /nfs/dbraw/zinc/87/16/71/344871671.db2.gz DMABLKSZILIEOW-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ccc(NCc2ccn(C)c2)c(C)[nH+]1 ZINC000087151726 178764853 /nfs/dbraw/zinc/76/48/53/178764853.db2.gz KJTKZMJXPPPUOD-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO CC[C@H]([NH2+]Cc1cncc(OC)c1C)C(F)F ZINC000631146165 344887770 /nfs/dbraw/zinc/88/77/70/344887770.db2.gz FFXPYJQXMNBSMG-JTQLQIEISA-N 1 2 244.285 2.532 20 0 BFADLO Cc1ncc(C[N@@H+]2CCc3ccc(F)cc3C2)o1 ZINC000628174683 344896158 /nfs/dbraw/zinc/89/61/58/344896158.db2.gz SDJNNSTWZZJDMT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncc(C[N@H+]2CCc3ccc(F)cc3C2)o1 ZINC000628174683 344896159 /nfs/dbraw/zinc/89/61/59/344896159.db2.gz SDJNNSTWZZJDMT-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1nc(C[NH+]2CCC(C(F)F)CC2)[nH]c1C ZINC000628177590 344906637 /nfs/dbraw/zinc/90/66/37/344906637.db2.gz GHCDPOPDIMAPEG-UHFFFAOYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1[nH]c(CN2CCC(C(F)F)CC2)[nH+]c1C ZINC000628177590 344906639 /nfs/dbraw/zinc/90/66/39/344906639.db2.gz GHCDPOPDIMAPEG-UHFFFAOYSA-N 1 2 243.301 2.504 20 0 BFADLO Cc1[nH]c(CN(CC(F)F)C(C)C)[nH+]c1C ZINC000628190421 344943850 /nfs/dbraw/zinc/94/38/50/344943850.db2.gz FUUPHISAZJWAKR-UHFFFAOYSA-N 1 2 231.290 2.502 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000079696962 345021696 /nfs/dbraw/zinc/02/16/96/345021696.db2.gz LUICFMXMCYNNJB-MNOVXSKESA-N 1 2 247.342 2.522 20 0 BFADLO C[C@@]12CN(c3cc[nH+]cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000641617077 362549964 /nfs/dbraw/zinc/54/99/64/362549964.db2.gz ZJPOYOCXMBVCPH-YXMPFFBPSA-N 1 2 244.313 2.869 20 0 BFADLO Fc1c[nH+]ccc1N1CCC[C@@H](C2CC2)C1 ZINC000641597764 362538286 /nfs/dbraw/zinc/53/82/86/362538286.db2.gz GBJARDPEKLPXDS-LLVKDONJSA-N 1 2 220.291 2.847 20 0 BFADLO Cc1ccoc1CN(C)c1cc[nH+]cc1F ZINC000641605417 362542215 /nfs/dbraw/zinc/54/22/15/362542215.db2.gz AVOYBVRPKZDMLV-UHFFFAOYSA-N 1 2 220.247 2.759 20 0 BFADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc[nH+]cc1F ZINC000641636347 362567435 /nfs/dbraw/zinc/56/74/35/362567435.db2.gz GAYOFYRSYSESIJ-KXUCPTDWSA-N 1 2 208.280 2.701 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H](C2CCC2)C1 ZINC000641639714 362567753 /nfs/dbraw/zinc/56/77/53/362567753.db2.gz WVCGTBOLAIINAD-LLVKDONJSA-N 1 2 220.291 2.847 20 0 BFADLO Fc1c[nH+]ccc1NCC1CCC(F)CC1 ZINC000641648759 362573387 /nfs/dbraw/zinc/57/33/87/362573387.db2.gz QBGCXOFISLQZJP-UHFFFAOYSA-N 1 2 226.270 2.583 20 0 BFADLO Fc1c[nH+]ccc1N1CC[C@@H](c2cccnc2)C1 ZINC000641646570 362574020 /nfs/dbraw/zinc/57/40/20/362574020.db2.gz VLGCTHNXKDOFJF-GFCCVEGCSA-N 1 2 243.285 2.610 20 0 BFADLO CC(C)O[C@@H]1CCCN(c2cc[nH+]cc2F)C1 ZINC000641650478 362574527 /nfs/dbraw/zinc/57/45/27/362574527.db2.gz QNVUNYJWTVUUJQ-LLVKDONJSA-N 1 2 238.306 2.615 20 0 BFADLO COC[C@H]([NH2+]Cc1occc1C)c1ccc(C)o1 ZINC000080238231 345124882 /nfs/dbraw/zinc/12/48/82/345124882.db2.gz LMYHCAPODISSJR-LBPRGKRZSA-N 1 2 249.310 2.967 20 0 BFADLO Cn1c[nH+]cc1CSc1cccs1 ZINC000306261537 345141825 /nfs/dbraw/zinc/14/18/25/345141825.db2.gz WKCWKEYFOQPAAT-UHFFFAOYSA-N 1 2 210.327 2.774 20 0 BFADLO CCC[C@H](C)NC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635190030 345269535 /nfs/dbraw/zinc/26/95/35/345269535.db2.gz WYXXDTMVRZASDH-JTQLQIEISA-N 1 2 245.326 2.561 20 0 BFADLO CC[C@H](Nc1cccc[nH+]1)C1CCOCC1 ZINC000080607277 345349887 /nfs/dbraw/zinc/34/98/87/345349887.db2.gz VHPYKHAPJOFNNS-LBPRGKRZSA-N 1 2 220.316 2.699 20 0 BFADLO Fc1ccccc1-c1cnc(Cn2cc[nH+]c2)o1 ZINC000158754720 345374509 /nfs/dbraw/zinc/37/45/09/345374509.db2.gz XSAXRGADKHCBGZ-UHFFFAOYSA-N 1 2 243.241 2.726 20 0 BFADLO Cc1cc(NC2CC(C)C2)nc(C2CC2)[nH+]1 ZINC000080707814 345446558 /nfs/dbraw/zinc/44/65/58/345446558.db2.gz HIKCZRAMSFFIBQ-UHFFFAOYSA-N 1 2 217.316 2.873 20 0 BFADLO CC1(C)C[C@@H](Nc2cccc[nH+]2)C(C)(C)O1 ZINC000134147954 345400416 /nfs/dbraw/zinc/40/04/16/345400416.db2.gz HGCKFFQRUSWXIK-SNVBAGLBSA-N 1 2 220.316 2.840 20 0 BFADLO CNc1ccc(COCc2ccccc2)c[nH+]1 ZINC000050830361 345491476 /nfs/dbraw/zinc/49/14/76/345491476.db2.gz OVDFMKRDIINFBW-UHFFFAOYSA-N 1 2 228.295 2.840 20 0 BFADLO C[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)C1(F)F ZINC000641675741 362595554 /nfs/dbraw/zinc/59/55/54/362595554.db2.gz CKSJJEXPGKAACH-DTORHVGOSA-N 1 2 244.260 2.948 20 0 BFADLO Cc1cc(C)cc(CNc2cc(CO)cc[nH+]2)c1 ZINC000641659726 362585192 /nfs/dbraw/zinc/58/51/92/362585192.db2.gz RQNIGVJIJXNDKV-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO OCc1cc[nH+]c(N2CCC[C@@H](C3CCC3)C2)c1 ZINC000641667515 362589285 /nfs/dbraw/zinc/58/92/85/362589285.db2.gz FNCDLWVQJDTXPX-CQSZACIVSA-N 1 2 246.354 2.590 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H]2C)[nH+]1 ZINC000080980343 345458365 /nfs/dbraw/zinc/45/83/65/345458365.db2.gz LKAHBKXPVBOWLY-KWQFWETISA-N 1 2 230.315 2.867 20 0 BFADLO Cc1nc2[nH]ccc2c(N2C[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000081004000 345459055 /nfs/dbraw/zinc/45/90/55/345459055.db2.gz OJTOHKKGHKGEAY-IUCAKERBSA-N 1 2 230.315 2.501 20 0 BFADLO CC1(C)[C@@H]2CN(c3cc[nH+]c4ccncc43)C[C@@H]21 ZINC000085688494 345528641 /nfs/dbraw/zinc/52/86/41/345528641.db2.gz WWWLHQPMCMXLEF-TXEJJXNPSA-N 1 2 239.322 2.722 20 0 BFADLO CC[C@@](C)([NH2+]C[C@@H]1CCCOC1)C(F)(F)F ZINC000381365503 345551915 /nfs/dbraw/zinc/55/19/15/345551915.db2.gz GUIQQARSNHQJKP-VHSXEESVSA-N 1 2 239.281 2.734 20 0 BFADLO CC[C@H](CSC)N(C)c1cccc[nH+]1 ZINC000091022549 345580626 /nfs/dbraw/zinc/58/06/26/345580626.db2.gz UCKPUPMYRDTRGD-SNVBAGLBSA-N 1 2 210.346 2.659 20 0 BFADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(F)cn1 ZINC000090721465 345575627 /nfs/dbraw/zinc/57/56/27/345575627.db2.gz GSYZUSGKDCPPRR-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO Cn1c[nH+]c(CSC[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000603358025 349932562 /nfs/dbraw/zinc/93/25/62/349932562.db2.gz GZCPNMGLAJBZSB-JGPRNRPPSA-N 1 2 222.357 2.699 20 0 BFADLO COC[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000091981589 345613864 /nfs/dbraw/zinc/61/38/64/345613864.db2.gz SLLSUYQQXSGCKZ-ZDUSSCGKSA-N 1 2 228.295 2.881 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2ccoc2)s1 ZINC000092403574 345618500 /nfs/dbraw/zinc/61/85/00/345618500.db2.gz COQJNDMZDRCIGD-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2ccoc2)s1 ZINC000092403574 345618503 /nfs/dbraw/zinc/61/85/03/345618503.db2.gz COQJNDMZDRCIGD-UHFFFAOYSA-N 1 2 236.340 2.931 20 0 BFADLO CC(C)[N@H+](Cc1nccs1)Cc1cccnc1 ZINC000093223603 345659390 /nfs/dbraw/zinc/65/93/90/345659390.db2.gz CEHZNEWVMGUMCU-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO CC(C)[N@@H+](Cc1nccs1)Cc1cccnc1 ZINC000093223603 345659393 /nfs/dbraw/zinc/65/93/93/345659393.db2.gz CEHZNEWVMGUMCU-UHFFFAOYSA-N 1 2 247.367 2.949 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)o1 ZINC000093645164 345662701 /nfs/dbraw/zinc/66/27/01/345662701.db2.gz VWAMQWUWDXHLRA-NSHDSACASA-N 1 2 241.718 2.544 20 0 BFADLO Clc1ccc(C[N@H+]2CCOC[C@H]2C2CC2)o1 ZINC000093645164 345662703 /nfs/dbraw/zinc/66/27/03/345662703.db2.gz VWAMQWUWDXHLRA-NSHDSACASA-N 1 2 241.718 2.544 20 0 BFADLO Clc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645163 345662756 /nfs/dbraw/zinc/66/27/56/345662756.db2.gz VWAMQWUWDXHLRA-LLVKDONJSA-N 1 2 241.718 2.544 20 0 BFADLO Clc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)o1 ZINC000093645163 345662758 /nfs/dbraw/zinc/66/27/58/345662758.db2.gz VWAMQWUWDXHLRA-LLVKDONJSA-N 1 2 241.718 2.544 20 0 BFADLO C[C@@H](CC1CCC1)Nc1cc(CO)cc[nH+]1 ZINC000641683948 362603155 /nfs/dbraw/zinc/60/31/55/362603155.db2.gz RYDKTUOGIWSQGB-JTQLQIEISA-N 1 2 220.316 2.565 20 0 BFADLO CCC[N@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189028300 259384267 /nfs/dbraw/zinc/38/42/67/259384267.db2.gz BMNPPZRKXWUCHE-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO CCC[N@@H+](CC[C@@H]1CCCO1)CC(F)F ZINC000189028300 259384270 /nfs/dbraw/zinc/38/42/70/259384270.db2.gz BMNPPZRKXWUCHE-JTQLQIEISA-N 1 2 221.291 2.533 20 0 BFADLO Cc1cccc(C[NH2+][C@@H](C)c2ccon2)c1F ZINC000449238127 201844023 /nfs/dbraw/zinc/84/40/23/201844023.db2.gz QGMYZGVXJIWPRN-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO c1ccc(O[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000148856136 345720238 /nfs/dbraw/zinc/72/02/38/345720238.db2.gz XLHNSEXDYGTLEX-CQSZACIVSA-N 1 2 240.306 2.739 20 0 BFADLO CC(C)=CCC[C@H](C)CC(=O)NCc1[nH]cc[nH+]1 ZINC000400838818 345815811 /nfs/dbraw/zinc/81/58/11/345815811.db2.gz HSIQNQHJWBDBBT-LBPRGKRZSA-N 1 2 249.358 2.799 20 0 BFADLO CC(C)=C(C)CC(=O)NCCCCn1cc[nH+]c1 ZINC000635559549 345760682 /nfs/dbraw/zinc/76/06/82/345760682.db2.gz TVITYHDKGYADDB-UHFFFAOYSA-N 1 2 249.358 2.526 20 0 BFADLO C[C@@H](NC(=O)C1CCCCCC1)c1[nH]cc[nH+]1 ZINC000140751143 345822307 /nfs/dbraw/zinc/82/23/07/345822307.db2.gz JLYVHCMKNKUYNZ-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO CCCC(CCC)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000140770939 345822390 /nfs/dbraw/zinc/82/23/90/345822390.db2.gz BWIRTCOLPYFYGM-SNVBAGLBSA-N 1 2 237.347 2.803 20 0 BFADLO CCCCN(CCCC)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000141982607 345853961 /nfs/dbraw/zinc/85/39/61/345853961.db2.gz ZCJYGLAGYYPAEO-BQYQJAHWSA-N 1 2 249.358 2.852 20 0 BFADLO CCCC[C@H](COC)Nc1cc(CC)[nH+]cn1 ZINC000605572076 345968403 /nfs/dbraw/zinc/96/84/03/345968403.db2.gz PXVXIBHVTGDGBD-GFCCVEGCSA-N 1 2 237.347 2.656 20 0 BFADLO O=C(Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000074859414 345981794 /nfs/dbraw/zinc/98/17/94/345981794.db2.gz XYXZMNYAOYWRAH-UHFFFAOYSA-N 1 2 237.262 2.587 20 0 BFADLO C[C@H]1[C@@H](C)N(c2cc(NC3CC3)[nH+]cn2)C[C@H]1C ZINC000419016050 192093813 /nfs/dbraw/zinc/09/38/13/192093813.db2.gz LXWGHBMGRHNNNL-GMTAPVOTSA-N 1 2 246.358 2.532 20 0 BFADLO C[C@H]1[C@@H](C)N(c2cc(NC3CC3)nc[nH+]2)C[C@H]1C ZINC000419016050 192093815 /nfs/dbraw/zinc/09/38/15/192093815.db2.gz LXWGHBMGRHNNNL-GMTAPVOTSA-N 1 2 246.358 2.532 20 0 BFADLO Cc1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)c(C)c(C)[nH+]1 ZINC000419017838 192094036 /nfs/dbraw/zinc/09/40/36/192094036.db2.gz OOBYCPLSHWQBSR-YGOYTEALSA-N 1 2 233.359 2.883 20 0 BFADLO FCC(CF)[NH2+]C/C=C/c1ccccc1 ZINC000449379521 201893074 /nfs/dbraw/zinc/89/30/74/201893074.db2.gz IWTYHQZBUKGNGU-QPJJXVBHSA-N 1 2 211.255 2.597 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@H]1CCOC1 ZINC000419000056 192096539 /nfs/dbraw/zinc/09/65/39/192096539.db2.gz VGDIJVUGADWTAG-GFCCVEGCSA-N 1 2 235.327 2.758 20 0 BFADLO CC/C=C\CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000635984334 346138069 /nfs/dbraw/zinc/13/80/69/346138069.db2.gz QXZAIIYWMBNOLD-SZZPACECSA-N 1 2 249.358 2.553 20 0 BFADLO CC/C=C\CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635984325 346138170 /nfs/dbraw/zinc/13/81/70/346138170.db2.gz QXZAIIYWMBNOLD-CFHLNLSMSA-N 1 2 249.358 2.553 20 0 BFADLO Fc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1F ZINC000563273868 323107329 /nfs/dbraw/zinc/10/73/29/323107329.db2.gz YDJCEAXUIYJAKL-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1F ZINC000563273868 323107330 /nfs/dbraw/zinc/10/73/30/323107330.db2.gz YDJCEAXUIYJAKL-JTQLQIEISA-N 1 2 229.245 2.899 20 0 BFADLO CCCCc1cc(NC2(CO)CCCC2)nc[nH+]1 ZINC000631154492 346244230 /nfs/dbraw/zinc/24/42/30/346244230.db2.gz BTGWZEUMRNKHGE-UHFFFAOYSA-N 1 2 249.358 2.536 20 0 BFADLO Cc1cc(N[C@H](C)c2cnn(C(C)C)c2)nc[nH+]1 ZINC000603399339 349946608 /nfs/dbraw/zinc/94/66/08/349946608.db2.gz YVMMDJQYHCGVAV-LLVKDONJSA-N 1 2 245.330 2.736 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2noc(C)n2)C1 ZINC000626162348 346273445 /nfs/dbraw/zinc/27/34/45/346273445.db2.gz SOQLZGQSFQKIIB-AAOUONPWSA-N 1 2 235.331 2.556 20 0 BFADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2noc(C)n2)C1 ZINC000626162348 346273447 /nfs/dbraw/zinc/27/34/47/346273447.db2.gz SOQLZGQSFQKIIB-AAOUONPWSA-N 1 2 235.331 2.556 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccccn2)C2CC2)o1 ZINC000628280833 346292743 /nfs/dbraw/zinc/29/27/43/346292743.db2.gz KPGMHEMRXMNTHV-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccccn2)C2CC2)o1 ZINC000628280833 346292747 /nfs/dbraw/zinc/29/27/47/346292747.db2.gz KPGMHEMRXMNTHV-UHFFFAOYSA-N 1 2 243.310 2.543 20 0 BFADLO COc1ccc[nH+]c1NC[C@@H]1CC=CCC1 ZINC000309886368 323119621 /nfs/dbraw/zinc/11/96/21/323119621.db2.gz YNSKECKFSVBGPH-LLVKDONJSA-N 1 2 218.300 2.858 20 0 BFADLO Cc1ccc(OCc2c[nH+]cn2C)cc1Cl ZINC000419106663 192100518 /nfs/dbraw/zinc/10/05/18/192100518.db2.gz DFBZNIIQIGEQPN-UHFFFAOYSA-N 1 2 236.702 2.961 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)nc1 ZINC000641764353 362695767 /nfs/dbraw/zinc/69/57/67/362695767.db2.gz GIHRKHRHFPYKDE-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO Cc1cccc(CCCNc2ccc(F)cn2)[nH+]1 ZINC000286658319 179055642 /nfs/dbraw/zinc/05/56/42/179055642.db2.gz VDSNEFAPSGCWRO-UHFFFAOYSA-N 1 2 245.301 2.969 20 0 BFADLO Cc1ccnc(NCCCc2cccc(C)[nH+]2)n1 ZINC000286557088 179056102 /nfs/dbraw/zinc/05/61/02/179056102.db2.gz KFPBOHOOJWYBGG-UHFFFAOYSA-N 1 2 242.326 2.533 20 0 BFADLO CC[N@H+](Cc1ccon1)Cc1ccccc1 ZINC000157313770 346380571 /nfs/dbraw/zinc/38/05/71/346380571.db2.gz RFYVCFYKVCPFEC-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO CC[N@@H+](Cc1ccon1)Cc1ccccc1 ZINC000157313770 346380574 /nfs/dbraw/zinc/38/05/74/346380574.db2.gz RFYVCFYKVCPFEC-UHFFFAOYSA-N 1 2 216.284 2.697 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000266533040 179068238 /nfs/dbraw/zinc/06/82/38/179068238.db2.gz MWFOFBSZUMLBSS-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2cccc(C)c2)o1 ZINC000266533040 179068241 /nfs/dbraw/zinc/06/82/41/179068241.db2.gz MWFOFBSZUMLBSS-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO CSCC1(CCNc2cc[nH+]cc2F)CC1 ZINC000603409121 349958751 /nfs/dbraw/zinc/95/87/51/349958751.db2.gz SGFAVIDOHKETSW-UHFFFAOYSA-N 1 2 240.347 2.588 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)C(F)F ZINC000641795308 362736786 /nfs/dbraw/zinc/73/67/86/362736786.db2.gz WSTPAFLSLPEEBK-ZCFIWIBFSA-N 1 2 236.212 2.762 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccn[nH]2)cs1 ZINC000381615961 346439467 /nfs/dbraw/zinc/43/94/67/346439467.db2.gz QGQYUZLSPZMBNG-VIFPVBQESA-N 1 2 221.329 2.630 20 0 BFADLO CCc1nc(C[N@H+](C2CC2)C2CCCC2)no1 ZINC000107791353 346514884 /nfs/dbraw/zinc/51/48/84/346514884.db2.gz CUMASJDMQXTVIP-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO CCc1nc(C[N@@H+](C2CC2)C2CCCC2)no1 ZINC000107791353 346514890 /nfs/dbraw/zinc/51/48/90/346514890.db2.gz CUMASJDMQXTVIP-UHFFFAOYSA-N 1 2 235.331 2.539 20 0 BFADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C)on1 ZINC000162524463 346526082 /nfs/dbraw/zinc/52/60/82/346526082.db2.gz UKGQXURPYYPGPZ-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C)on1 ZINC000162524463 346526084 /nfs/dbraw/zinc/52/60/84/346526084.db2.gz UKGQXURPYYPGPZ-AWEZNQCLSA-N 1 2 245.326 2.961 20 0 BFADLO Cc1cccc(N(C)Cc2c[nH+]cn2C)c1C ZINC000177262144 179117910 /nfs/dbraw/zinc/11/79/10/179117910.db2.gz RVCAEWWKPLEQRN-UHFFFAOYSA-N 1 2 229.327 2.673 20 0 BFADLO Cc1ccc(N[C@@H]2CS[C@@H](C)C2)c[nH+]1 ZINC000164750550 346622967 /nfs/dbraw/zinc/62/29/67/346622967.db2.gz PQVJTKQDCDGVLQ-ONGXEEELSA-N 1 2 208.330 2.696 20 0 BFADLO CCN(Cc1ccoc1)Cc1[nH+]ccn1CC ZINC000588168915 346644932 /nfs/dbraw/zinc/64/49/32/346644932.db2.gz AVOXFCSPUXOUKX-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO c1cc(N2C[C@@H]3CCCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000301553464 187371594 /nfs/dbraw/zinc/37/15/94/187371594.db2.gz MTOXOHTXXUHDKM-BETUJISGSA-N 1 2 243.354 2.980 20 0 BFADLO COc1ccc[nH+]c1N[C@H](C)[C@@H]1CC1(C)C ZINC000309888441 347193088 /nfs/dbraw/zinc/19/30/88/347193088.db2.gz ZGUUWVUDSZELHC-ZJUUUORDSA-N 1 2 220.316 2.937 20 0 BFADLO Cc1cccc(OCc2ccc(C)[nH+]c2C)n1 ZINC000185409951 347199617 /nfs/dbraw/zinc/19/96/17/347199617.db2.gz KILHOVSYFMAUSP-UHFFFAOYSA-N 1 2 228.295 2.981 20 0 BFADLO Cc1cccc([C@@H](C)[NH2+]CC(F)(F)CO)c1C ZINC000184706275 179180072 /nfs/dbraw/zinc/18/00/72/179180072.db2.gz WHEKMCWPGWGMCO-LLVKDONJSA-N 1 2 243.297 2.582 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1c[nH]cn1 ZINC000684619527 488333306 /nfs/dbraw/zinc/33/33/06/488333306.db2.gz BNLFCDWQUKNNQJ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1c[nH]cn1 ZINC000684619527 488333309 /nfs/dbraw/zinc/33/33/09/488333309.db2.gz BNLFCDWQUKNNQJ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cnc[nH]1 ZINC000684619527 488333310 /nfs/dbraw/zinc/33/33/10/488333310.db2.gz BNLFCDWQUKNNQJ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cnc[nH]1 ZINC000684619527 488333313 /nfs/dbraw/zinc/33/33/13/488333313.db2.gz BNLFCDWQUKNNQJ-DTWKUNHWSA-N 1 2 247.264 2.573 20 0 BFADLO Cc1c[nH]c(CNc2cncc(Cl)c2C)[nH+]1 ZINC000628296978 347243264 /nfs/dbraw/zinc/24/32/64/347243264.db2.gz FQGNYIYNFVTFMC-UHFFFAOYSA-N 1 2 236.706 2.687 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616921016 347450210 /nfs/dbraw/zinc/45/02/10/347450210.db2.gz BMQJNRYXMJMSOS-LBPRGKRZSA-N 1 2 247.342 2.505 20 0 BFADLO CC1=C(C)C[C@@H](C(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000616921016 347450212 /nfs/dbraw/zinc/45/02/12/347450212.db2.gz BMQJNRYXMJMSOS-LBPRGKRZSA-N 1 2 247.342 2.505 20 0 BFADLO Cc1cccc2nc(-n3cc[nH+]c3)sc21 ZINC000359395567 179228144 /nfs/dbraw/zinc/22/81/44/179228144.db2.gz SKDKFFGKDBHRMT-UHFFFAOYSA-N 1 2 215.281 2.790 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928943 347495831 /nfs/dbraw/zinc/49/58/31/347495831.db2.gz PWEPYZXLBPIXPO-DGCLKSJQSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928943 347495835 /nfs/dbraw/zinc/49/58/35/347495835.db2.gz PWEPYZXLBPIXPO-DGCLKSJQSA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616928944 347495867 /nfs/dbraw/zinc/49/58/67/347495867.db2.gz PWEPYZXLBPIXPO-WCQYABFASA-N 1 2 249.358 2.585 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000616928944 347495871 /nfs/dbraw/zinc/49/58/71/347495871.db2.gz PWEPYZXLBPIXPO-WCQYABFASA-N 1 2 249.358 2.585 20 0 BFADLO CCCCCC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590728852 347497518 /nfs/dbraw/zinc/49/75/18/347497518.db2.gz HTOYMVZKSZQIMP-ZDUSSCGKSA-N 1 2 249.358 2.627 20 0 BFADLO Cc1cc(NC(=O)C2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000355975713 187376196 /nfs/dbraw/zinc/37/61/96/187376196.db2.gz XUQLVPDHLSWFLT-QWRGUYRKSA-N 1 2 246.354 2.823 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccoc1 ZINC000380110400 365887210 /nfs/dbraw/zinc/88/72/10/365887210.db2.gz OBNBWPARLGPKPU-BDAKNGLRSA-N 1 2 206.245 2.679 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccon1 ZINC000380110402 365887368 /nfs/dbraw/zinc/88/73/68/365887368.db2.gz OBNBWPARLGPKPU-DTWKUNHWSA-N 1 2 206.245 2.679 20 0 BFADLO Cc1ccccc1C(C)(C)[NH2+]Cc1ccn[nH]1 ZINC000292924824 179255554 /nfs/dbraw/zinc/25/55/54/179255554.db2.gz GLSCRVRUFQMIDF-UHFFFAOYSA-N 1 2 229.327 2.743 20 0 BFADLO Cc1ccccc1CC(=O)Nc1cc[nH+]cc1C ZINC000107294755 179259956 /nfs/dbraw/zinc/25/99/56/179259956.db2.gz RNXUAEIKSIGDFS-UHFFFAOYSA-N 1 2 240.306 2.880 20 0 BFADLO Cc1ccccc1CCCOCc1[nH]cc[nH+]1 ZINC000123751922 179263611 /nfs/dbraw/zinc/26/36/11/179263611.db2.gz IKQOTKBIVJQVSW-UHFFFAOYSA-N 1 2 230.311 2.868 20 0 BFADLO Cc1ccccc1C[N@H+](C)Cc1ccon1 ZINC000265415766 179268860 /nfs/dbraw/zinc/26/88/60/179268860.db2.gz GWJHINOVAKYWMA-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccccc1C[N@@H+](C)Cc1ccon1 ZINC000265415766 179268863 /nfs/dbraw/zinc/26/88/63/179268863.db2.gz GWJHINOVAKYWMA-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CCC[N@H+](CCOCC1CCC1)CC(F)F ZINC000419188639 192108363 /nfs/dbraw/zinc/10/83/63/192108363.db2.gz KGKNZTJYNLTKJN-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CCC[N@@H+](CCOCC1CCC1)CC(F)F ZINC000419188639 192108365 /nfs/dbraw/zinc/10/83/65/192108365.db2.gz KGKNZTJYNLTKJN-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO Cc1ccccc1CNc1nc[nH+]c(N)c1Cl ZINC000227842646 179285440 /nfs/dbraw/zinc/28/54/40/179285440.db2.gz JYTWKZVJKAPYPU-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1ccccc1CNc1[nH+]cnc(N)c1Cl ZINC000227842646 179285441 /nfs/dbraw/zinc/28/54/41/179285441.db2.gz JYTWKZVJKAPYPU-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC000577290419 365918985 /nfs/dbraw/zinc/91/89/85/365918985.db2.gz MTZXCKWWKRWOGW-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO Cc1ccc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC000577290419 365918992 /nfs/dbraw/zinc/91/89/92/365918992.db2.gz MTZXCKWWKRWOGW-LLVKDONJSA-N 1 2 243.310 2.535 20 0 BFADLO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)OC(C)(C)C ZINC000593080253 347850937 /nfs/dbraw/zinc/85/09/37/347850937.db2.gz KQOVQTKWQZZFGV-JTQLQIEISA-N 1 2 239.359 2.639 20 0 BFADLO CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000360943811 187382531 /nfs/dbraw/zinc/38/25/31/187382531.db2.gz JTALQQNWLYVSFY-NEPJUHHUSA-N 1 2 249.358 2.755 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1CCOCC1CCC1 ZINC000419272189 192110262 /nfs/dbraw/zinc/11/02/62/192110262.db2.gz GLNVZSCZCRGXMZ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1CCOCC1CCC1 ZINC000419272189 192110264 /nfs/dbraw/zinc/11/02/64/192110264.db2.gz GLNVZSCZCRGXMZ-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CC[C@H]1SC ZINC000593680426 347932502 /nfs/dbraw/zinc/93/25/02/347932502.db2.gz VULRYTZPMGAVLN-CMPLNLGQSA-N 1 2 222.357 2.950 20 0 BFADLO Cc1ccc(N[C@@H](C)CSCCF)c[nH+]1 ZINC000595028533 348173958 /nfs/dbraw/zinc/17/39/58/348173958.db2.gz DNDVSUPMQONFGV-JTQLQIEISA-N 1 2 228.336 2.893 20 0 BFADLO Cc1cccnc1CCCNc1cccc[nH+]1 ZINC000295037063 179368257 /nfs/dbraw/zinc/36/82/57/179368257.db2.gz SJAMKOXXSRQNQA-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO Cc1cccnc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110542410 179384576 /nfs/dbraw/zinc/38/45/76/179384576.db2.gz YZWXJFGQCJKBPQ-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CC/C=C\C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000419260798 192116637 /nfs/dbraw/zinc/11/66/37/192116637.db2.gz PCCZZMJRMIIVFU-KRZKBDHCSA-N 1 2 227.348 2.520 20 0 BFADLO C[C@@H]1CC[N@H+](CCOCC2CCC2)CC1(F)F ZINC000419319441 192121285 /nfs/dbraw/zinc/12/12/85/192121285.db2.gz ZIGWPQRXFYEZRD-LLVKDONJSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H]1CC[N@@H+](CCOCC2CCC2)CC1(F)F ZINC000419319441 192121287 /nfs/dbraw/zinc/12/12/87/192121287.db2.gz ZIGWPQRXFYEZRD-LLVKDONJSA-N 1 2 247.329 2.780 20 0 BFADLO c1snnc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000126773865 187395018 /nfs/dbraw/zinc/39/50/18/187395018.db2.gz GSFQBGPNRYYLRW-CYBMUJFWSA-N 1 2 249.383 2.860 20 0 BFADLO c1snnc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000126773865 187395019 /nfs/dbraw/zinc/39/50/19/187395019.db2.gz GSFQBGPNRYYLRW-CYBMUJFWSA-N 1 2 249.383 2.860 20 0 BFADLO Cc1cc[nH+]cc1NCc1ccc(O)cc1 ZINC000070957364 179493295 /nfs/dbraw/zinc/49/32/95/179493295.db2.gz OGYJLOJEPDHMED-UHFFFAOYSA-N 1 2 214.268 2.708 20 0 BFADLO CCSC1(CNc2cccc[nH+]2)CC1 ZINC000596513200 348574544 /nfs/dbraw/zinc/57/45/44/348574544.db2.gz PUYPFHHKNQZCPK-UHFFFAOYSA-N 1 2 208.330 2.779 20 0 BFADLO Cc1cnc([C@@H](C)[NH+]2Cc3ccccc3C2)cn1 ZINC000336502462 179645456 /nfs/dbraw/zinc/64/54/56/179645456.db2.gz PHPCOJSGYLJMMF-GFCCVEGCSA-N 1 2 239.322 2.862 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccncc2F)o1 ZINC000338340890 179653668 /nfs/dbraw/zinc/65/36/68/179653668.db2.gz CIOCNTWWJFMAMV-UWVGGRQHSA-N 1 2 249.289 2.929 20 0 BFADLO C[C@@H]1CC([NH2+]CC(F)(F)F)C[C@@H](C)C1 ZINC000082829319 348814700 /nfs/dbraw/zinc/81/47/00/348814700.db2.gz GUXRAAOVMAYJKD-YUMQZZPRSA-N 1 2 209.255 2.963 20 0 BFADLO CCc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)o1 ZINC000449570778 201972045 /nfs/dbraw/zinc/97/20/45/201972045.db2.gz KKDDYVLCAJFSHK-GXFFZTMASA-N 1 2 245.326 2.834 20 0 BFADLO CC(C)n1nccc1C[NH2+][C@H](C)C(C)(F)F ZINC000394657696 349073404 /nfs/dbraw/zinc/07/34/04/349073404.db2.gz YLHSBRZTGRCPKZ-SECBINFHSA-N 1 2 231.290 2.597 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000599641522 349238238 /nfs/dbraw/zinc/23/82/38/349238238.db2.gz SKFFTOUYJSXKEY-AWEZNQCLSA-N 1 2 249.354 2.907 20 0 BFADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)ccn1 ZINC000623525290 362944475 /nfs/dbraw/zinc/94/44/75/362944475.db2.gz FGLILEVITZPCJH-NSHDSACASA-N 1 2 226.270 2.667 20 0 BFADLO Cc1[nH]c(C(=O)NCCC2=CCCCCC2)c[nH+]1 ZINC000274373174 179883141 /nfs/dbraw/zinc/88/31/41/179883141.db2.gz PCCHOWNRLMSCFY-UHFFFAOYSA-N 1 2 247.342 2.729 20 0 BFADLO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1ncccn1 ZINC000061362164 349367334 /nfs/dbraw/zinc/36/73/34/349367334.db2.gz WEBIMQORNMDRRW-LLVKDONJSA-N 1 2 245.351 2.705 20 0 BFADLO Cc1ccc(C[S@@](=O)CC2CCC2)c(C)[nH+]1 ZINC000601912590 349377988 /nfs/dbraw/zinc/37/79/88/349377988.db2.gz OHBJCEWZJARWGW-INIZCTEOSA-N 1 2 237.368 2.747 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCCC2(C)C)no1 ZINC000077383074 535098152 /nfs/dbraw/zinc/09/81/52/535098152.db2.gz CAHHKWWRYZBECH-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO CCCCc1nc(C[N@H+]2CCCC2(C)C)no1 ZINC000077383074 535098163 /nfs/dbraw/zinc/09/81/63/535098163.db2.gz CAHHKWWRYZBECH-UHFFFAOYSA-N 1 2 237.347 2.787 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000020253227 179971117 /nfs/dbraw/zinc/97/11/17/179971117.db2.gz UEKOBARAZGKLLJ-VIFPVBQESA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc2[nH]ccc2c(N2CC3(C2)CCCC3)[nH+]1 ZINC000336365428 180001523 /nfs/dbraw/zinc/00/15/23/180001523.db2.gz BUVPBDVSWJSOAQ-UHFFFAOYSA-N 1 2 242.326 2.647 20 0 BFADLO Cc1nc2[nH]ccc2c(NC2(CF)CCC2)[nH+]1 ZINC000335429112 180015819 /nfs/dbraw/zinc/01/58/19/180015819.db2.gz IRRYLSDZCVZCOG-UHFFFAOYSA-N 1 2 234.278 2.570 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@H]2CS[C@H](C)C2)[nH+]1 ZINC000334112072 180025658 /nfs/dbraw/zinc/02/56/58/180025658.db2.gz CTCOBKSTDKVVPP-VXNVDRBHSA-N 1 2 248.355 2.572 20 0 BFADLO Cc1nc([C@@H](C)[N@@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000377878490 180035010 /nfs/dbraw/zinc/03/50/10/180035010.db2.gz JHRVTMLBZSODHE-MWLCHTKSSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@@H](C)[N@H+]2CC[C@@H](c3ccco3)C2)no1 ZINC000377878490 180035014 /nfs/dbraw/zinc/03/50/14/180035014.db2.gz JHRVTMLBZSODHE-MWLCHTKSSA-N 1 2 247.298 2.522 20 0 BFADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cs1 ZINC000222469186 180036905 /nfs/dbraw/zinc/03/69/05/180036905.db2.gz WJRKYFSVWQWLBH-JGVFFNPUSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1nc([C@@H](C)[NH2+]Cc2cccnc2)cs1 ZINC000036915367 180037852 /nfs/dbraw/zinc/03/78/52/180037852.db2.gz QFNQJWWNOIWIHU-SECBINFHSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302092175 180067788 /nfs/dbraw/zinc/06/77/88/180067788.db2.gz MOIVIQZCDXHLSJ-WDEREUQCSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1nc([C@H](C)[N@@H+]2CCCC(C)(C)C2)no1 ZINC000336560916 180047903 /nfs/dbraw/zinc/04/79/03/180047903.db2.gz ICAXLHBUBNVORE-VIFPVBQESA-N 1 2 223.320 2.561 20 0 BFADLO Cc1nc([C@H](C)[N@H+]2CCCC(C)(C)C2)no1 ZINC000336560916 180047904 /nfs/dbraw/zinc/04/79/04/180047904.db2.gz ICAXLHBUBNVORE-VIFPVBQESA-N 1 2 223.320 2.561 20 0 BFADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2)no1 ZINC000273266390 180051057 /nfs/dbraw/zinc/05/10/57/180051057.db2.gz CZJKFUDOCGRUEK-ZJUUUORDSA-N 1 2 231.299 2.790 20 0 BFADLO Cc1nc(N2CC[C@@](C)(F)C2)c2c([nH+]1)CCCC2 ZINC000359725459 180067281 /nfs/dbraw/zinc/06/72/81/180067281.db2.gz HQSJSSWAVVEVAP-CQSZACIVSA-N 1 2 249.333 2.602 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H]2CCC[C@H]2C)[nH+]1 ZINC000359931364 180059261 /nfs/dbraw/zinc/05/92/61/180059261.db2.gz JXRJSGZASZSQMV-MWLCHTKSSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1nc2[nH]ccc2c(NC[C@H]2CC[C@@H](C)C2)[nH+]1 ZINC000360114667 180060370 /nfs/dbraw/zinc/06/03/70/180060370.db2.gz IEHUOQQZXOQAIG-KOLCDFICSA-N 1 2 244.342 2.536 20 0 BFADLO Cc1cc(N[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000040727135 191021187 /nfs/dbraw/zinc/02/11/87/191021187.db2.gz JEZSRHBTOSLBJU-MWLCHTKSSA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(N[C@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000302070258 180070948 /nfs/dbraw/zinc/07/09/48/180070948.db2.gz YCEFFAZMHKSTHX-SECBINFHSA-N 1 2 231.343 2.874 20 0 BFADLO Cc1[nH]c(C(=O)NCC2(C)CCCCCC2)c[nH+]1 ZINC000408120279 180128985 /nfs/dbraw/zinc/12/89/85/180128985.db2.gz URXGSZTZGPYBIX-UHFFFAOYSA-N 1 2 249.358 2.808 20 0 BFADLO Cc1[nH]c(C(=O)NCC[C@@H]2CCCC[C@@H]2C)c[nH+]1 ZINC000339223145 180130018 /nfs/dbraw/zinc/13/00/18/180130018.db2.gz IYNAYOMUMCKQBE-JQWIXIFHSA-N 1 2 249.358 2.664 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CC1(C)CCCCC1 ZINC000330388883 180119499 /nfs/dbraw/zinc/11/94/99/180119499.db2.gz DMYBXFOOANLUGA-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO Cc1occc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000604758509 350184074 /nfs/dbraw/zinc/18/40/74/350184074.db2.gz BZWIOHTYFBCDOX-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CO[C@@H](C)C1 ZINC000402363886 350217639 /nfs/dbraw/zinc/21/76/39/350217639.db2.gz DUYMOFKKXCAXPZ-WCQYABFASA-N 1 2 242.322 2.554 20 0 BFADLO CC[N@@H+]1Cc2cccc(Br)c2C1 ZINC000221775410 350220881 /nfs/dbraw/zinc/22/08/81/350220881.db2.gz MWIIZYQWNKOMIP-UHFFFAOYSA-N 1 2 226.117 2.785 20 0 BFADLO CC[N@H+]1Cc2cccc(Br)c2C1 ZINC000221775410 350220882 /nfs/dbraw/zinc/22/08/82/350220882.db2.gz MWIIZYQWNKOMIP-UHFFFAOYSA-N 1 2 226.117 2.785 20 0 BFADLO Cc1nc(N2C[C@H](C)CCC[C@H]2C)cc[nH+]1 ZINC000361113027 180194670 /nfs/dbraw/zinc/19/46/70/180194670.db2.gz XELQLGJZRMYGBP-GHMZBOCLSA-N 1 2 219.332 2.800 20 0 BFADLO Cc1nc(N2CC[C@]3(CC[C@@H](C)C3)C2)cc[nH+]1 ZINC000359071468 180195514 /nfs/dbraw/zinc/19/55/14/180195514.db2.gz VZMIXYXEBQFXOW-RISCZKNCSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1nc(NCCCNc2ccccc2)cc[nH+]1 ZINC000266333474 180198630 /nfs/dbraw/zinc/19/86/30/180198630.db2.gz HHEGLBFLSUZZFE-UHFFFAOYSA-N 1 2 242.326 2.699 20 0 BFADLO Cc1nc(NCCc2ccccc2Cl)cc[nH+]1 ZINC000360527441 180181114 /nfs/dbraw/zinc/18/11/14/180181114.db2.gz CNUOJDADKAJFAA-UHFFFAOYSA-N 1 2 247.729 2.515 20 0 BFADLO Cc1nc(NC[C@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000360531243 180181423 /nfs/dbraw/zinc/18/14/23/180181423.db2.gz UINRVCLYPODROY-JTQLQIEISA-N 1 2 245.301 2.562 20 0 BFADLO Cc1nc(NCC[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000361025025 180181506 /nfs/dbraw/zinc/18/15/06/180181506.db2.gz HTWBRZVDNCQIDE-YPMHNXCESA-N 1 2 233.359 2.835 20 0 BFADLO Cc1nc(NCC[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000361025023 180181749 /nfs/dbraw/zinc/18/17/49/180181749.db2.gz HTWBRZVDNCQIDE-DGCLKSJQSA-N 1 2 233.359 2.835 20 0 BFADLO Cc1nc(NCC[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000361025022 180182018 /nfs/dbraw/zinc/18/20/18/180182018.db2.gz HTWBRZVDNCQIDE-AAEUAGOBSA-N 1 2 233.359 2.835 20 0 BFADLO Cc1[nH+]cccc1NC[C@H]1CCSC1 ZINC000224441491 180227093 /nfs/dbraw/zinc/22/70/93/180227093.db2.gz XZVNIZSQTHVCCV-SNVBAGLBSA-N 1 2 208.330 2.555 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1CSC[C@@H]1C ZINC000295599795 180227702 /nfs/dbraw/zinc/22/77/02/180227702.db2.gz FPUZTSZAPQPTNI-KWQFWETISA-N 1 2 208.330 2.553 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3ccccc3C2)oc1C ZINC000049982581 350273382 /nfs/dbraw/zinc/27/33/82/350273382.db2.gz CFEQDQNJEBUUQN-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3ccccc3C2)oc1C ZINC000049982581 350273384 /nfs/dbraw/zinc/27/33/84/350273384.db2.gz CFEQDQNJEBUUQN-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1ncsc1CCNc1cccc[nH+]1 ZINC000295075848 180311701 /nfs/dbraw/zinc/31/17/01/180311701.db2.gz WZRBRNWCWFDAJZ-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO COc1ccc[nH+]c1NCCCCOC(C)C ZINC000225395513 350361295 /nfs/dbraw/zinc/36/12/95/350361295.db2.gz XKWOVEBFTQXFHS-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO Cc1cc(NCCCc2ccccc2)nc[nH+]1 ZINC000040727275 350396393 /nfs/dbraw/zinc/39/63/93/350396393.db2.gz NWGSCBKQRDFEAW-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO Cc1nn(C)c(C)c1Nc1cc[nH+]cc1Cl ZINC000269283012 180345865 /nfs/dbraw/zinc/34/58/65/180345865.db2.gz MHBYAMGHUCDJAE-UHFFFAOYSA-N 1 2 236.706 2.829 20 0 BFADLO Cc1ncc([C@@H](C)[NH2+]Cc2nccs2)s1 ZINC000127110392 490536448 /nfs/dbraw/zinc/53/64/48/490536448.db2.gz FRFYJIBCVLGSOA-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)C1CCC1 ZINC000336698504 350453169 /nfs/dbraw/zinc/45/31/69/350453169.db2.gz KODQDLIHYOBDCN-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)C1CCC1 ZINC000336698504 350453172 /nfs/dbraw/zinc/45/31/72/350453172.db2.gz KODQDLIHYOBDCN-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CCCCc1cc(N[C@@H](C)CCOC)nc[nH+]1 ZINC000631093385 350515698 /nfs/dbraw/zinc/51/56/98/350515698.db2.gz VVUXDNANSMHGTB-NSHDSACASA-N 1 2 237.347 2.656 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2[nH+]c3cccc(F)c3n2C)C1 ZINC000443516655 191109064 /nfs/dbraw/zinc/10/90/64/191109064.db2.gz GSMOSFWCMLUYMA-NXEZZACHSA-N 1 2 247.317 2.947 20 0 BFADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000112515322 180441908 /nfs/dbraw/zinc/44/19/08/180441908.db2.gz NUVBBOOHFSFNPG-VHSXEESVSA-N 1 2 231.299 2.790 20 0 BFADLO CN(CCOCc1ccccc1)c1cccc[nH+]1 ZINC000231142604 350613663 /nfs/dbraw/zinc/61/36/63/350613663.db2.gz JJOPJKUSUHKQTQ-UHFFFAOYSA-N 1 2 242.322 2.735 20 0 BFADLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(F)c2)n1 ZINC000283866242 180461596 /nfs/dbraw/zinc/46/15/96/180461596.db2.gz GLQNKTXUEDTZSL-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO Cc1cc(N[C@@H](C)CCC2CC2)nc[nH+]1 ZINC000302216165 191119531 /nfs/dbraw/zinc/11/95/31/191119531.db2.gz IFKWNKYYJJDAFD-VIFPVBQESA-N 1 2 205.305 2.776 20 0 BFADLO Cc1nc(C2CCC2)nn1Cc1ccc[nH+]c1C ZINC000642233852 362975360 /nfs/dbraw/zinc/97/53/60/362975360.db2.gz BFUQQFZUOCVHHS-UHFFFAOYSA-N 1 2 242.326 2.606 20 0 BFADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccoc1 ZINC000577579875 366001906 /nfs/dbraw/zinc/00/19/06/366001906.db2.gz BQXAYMWCYBLESH-SECBINFHSA-N 1 2 232.283 2.996 20 0 BFADLO CCN(Cc1[nH]cc(C)[nH+]1)Cc1occc1C ZINC000628311893 350813039 /nfs/dbraw/zinc/81/30/39/350813039.db2.gz FHGCICLDYAMLGQ-UHFFFAOYSA-N 1 2 233.315 2.642 20 0 BFADLO Cc1ccc(NC(=O)NCCC2CC2)c(C)[nH+]1 ZINC000176706244 191126049 /nfs/dbraw/zinc/12/60/49/191126049.db2.gz MSAOTURNTABDRA-UHFFFAOYSA-N 1 2 233.315 2.620 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccon1 ZINC000607151483 351029745 /nfs/dbraw/zinc/02/97/45/351029745.db2.gz LYVMNKJDJLAFTN-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccon1 ZINC000607151483 351029748 /nfs/dbraw/zinc/02/97/48/351029748.db2.gz LYVMNKJDJLAFTN-NSHDSACASA-N 1 2 244.294 2.630 20 0 BFADLO CCn1cc[nH+]c1CNc1nc(Cl)cs1 ZINC000306811306 351080249 /nfs/dbraw/zinc/08/02/49/351080249.db2.gz WPBVTHVGWGRJBF-UHFFFAOYSA-N 1 2 242.735 2.625 20 0 BFADLO Cc1cnc(NCCCCn2cc[nH+]c2)s1 ZINC000309711368 323452698 /nfs/dbraw/zinc/45/26/98/323452698.db2.gz QSACSISWLWACQL-UHFFFAOYSA-N 1 2 236.344 2.540 20 0 BFADLO CC[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000616641794 351152473 /nfs/dbraw/zinc/15/24/73/351152473.db2.gz PQMZQNKSDCVPQD-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000616641794 351152475 /nfs/dbraw/zinc/15/24/75/351152475.db2.gz PQMZQNKSDCVPQD-LBPRGKRZSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616637777 351134250 /nfs/dbraw/zinc/13/42/50/351134250.db2.gz PQMZQNKSDCVPQD-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO CC[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000616637777 351134253 /nfs/dbraw/zinc/13/42/53/351134253.db2.gz PQMZQNKSDCVPQD-GFCCVEGCSA-N 1 2 225.719 2.733 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)CC ZINC000264965196 351260704 /nfs/dbraw/zinc/26/07/04/351260704.db2.gz BSAWRFQRSODXOV-VIFPVBQESA-N 1 2 206.289 2.629 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C=C(C)C ZINC000265035389 351261907 /nfs/dbraw/zinc/26/19/07/351261907.db2.gz LAKOAHHHFUKJEO-UHFFFAOYSA-N 1 2 204.273 2.549 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C ZINC000265060182 351262322 /nfs/dbraw/zinc/26/23/22/351262322.db2.gz QNNRFVWGIHKDPI-UHFFFAOYSA-N 1 2 206.289 2.629 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC000267086525 351299787 /nfs/dbraw/zinc/29/97/87/351299787.db2.gz SLXVHACDQWILAN-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO CCN(Cc1c[nH+]cn1C)c1ccccc1F ZINC000267576459 351315504 /nfs/dbraw/zinc/31/55/04/351315504.db2.gz FIUSXMKGULTEON-UHFFFAOYSA-N 1 2 233.290 2.586 20 0 BFADLO CC[N@H+](Cc1cscn1)Cc1ccncc1 ZINC000267898295 351322653 /nfs/dbraw/zinc/32/26/53/351322653.db2.gz KPSIBQZAIJJPAW-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1cscn1)Cc1ccncc1 ZINC000267898295 351322656 /nfs/dbraw/zinc/32/26/56/351322656.db2.gz KPSIBQZAIJJPAW-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC1(C)C[N@H+](Cc2ccon2)Cc2ccccc21 ZINC000270384446 351378886 /nfs/dbraw/zinc/37/88/86/351378886.db2.gz QPBFGQMPSGSBGK-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO CC1(C)C[N@@H+](Cc2ccon2)Cc2ccccc21 ZINC000270384446 351378890 /nfs/dbraw/zinc/37/88/90/351378890.db2.gz QPBFGQMPSGSBGK-UHFFFAOYSA-N 1 2 242.322 2.968 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000153062432 363030686 /nfs/dbraw/zinc/03/06/86/363030686.db2.gz XAUXGWUPDHGDDK-WDEREUQCSA-N 1 2 248.326 2.855 20 0 BFADLO Cn1c2c(cccc2F)[nH]c1=[NH+]CC1(C)CCC1 ZINC000337022769 180609537 /nfs/dbraw/zinc/60/95/37/180609537.db2.gz SSUJAFFWOGPSGV-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)CC1(OC)CCC1 ZINC000276573312 351635297 /nfs/dbraw/zinc/63/52/97/351635297.db2.gz BPOQEPJPYMXMLD-UHFFFAOYSA-N 1 2 248.326 2.542 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)c1c(C)cccc1C)C(=O)OC ZINC000577685818 366035805 /nfs/dbraw/zinc/03/58/05/366035805.db2.gz ISKHMBHVNLXBSB-STQMWFEESA-N 1 2 249.354 2.906 20 0 BFADLO Cc1ccc(CNc2ccc[nH+]c2C)nc1 ZINC000088135537 351624790 /nfs/dbraw/zinc/62/47/90/351624790.db2.gz URMUFYXNPLQUTI-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1nnc(C)s1 ZINC000276542491 351630107 /nfs/dbraw/zinc/63/01/07/351630107.db2.gz KHJMUTLMYYVMNT-UHFFFAOYSA-N 1 2 249.339 2.691 20 0 BFADLO CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830687 351679704 /nfs/dbraw/zinc/67/97/04/351679704.db2.gz ZPVPBMUNYAGUMD-ZYHUDNBSSA-N 1 2 247.342 2.649 20 0 BFADLO CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N)[nH+]c1 ZINC000637830677 351679993 /nfs/dbraw/zinc/67/99/93/351679993.db2.gz ZPVPBMUNYAGUMD-JQWIXIFHSA-N 1 2 247.342 2.649 20 0 BFADLO C[N@H+](Cc1ccns1)Cc1ccc(F)cc1 ZINC000637858081 351719276 /nfs/dbraw/zinc/71/92/76/351719276.db2.gz XRQMAXAYNAMSES-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO C[N@@H+](Cc1ccns1)Cc1ccc(F)cc1 ZINC000637858081 351719280 /nfs/dbraw/zinc/71/92/80/351719280.db2.gz XRQMAXAYNAMSES-UHFFFAOYSA-N 1 2 236.315 2.914 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccco2)sn1 ZINC000637861511 351723212 /nfs/dbraw/zinc/72/32/12/351723212.db2.gz UDUWCQMJHFHAMF-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccco2)sn1 ZINC000637861511 351723221 /nfs/dbraw/zinc/72/32/21/351723221.db2.gz UDUWCQMJHFHAMF-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cnccn2)c(F)c1 ZINC000637979336 351856451 /nfs/dbraw/zinc/85/64/51/351856451.db2.gz SYLPNAZRQFNDIZ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cnccn2)c(F)c1 ZINC000637979336 351856454 /nfs/dbraw/zinc/85/64/54/351856454.db2.gz SYLPNAZRQFNDIZ-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO C[N@H+](CCC(F)(F)F)Cc1ccns1 ZINC000637969159 351842536 /nfs/dbraw/zinc/84/25/36/351842536.db2.gz FIMZSXMWRWFDBX-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO C[N@@H+](CCC(F)(F)F)Cc1ccns1 ZINC000637969159 351842538 /nfs/dbraw/zinc/84/25/38/351842538.db2.gz FIMZSXMWRWFDBX-UHFFFAOYSA-N 1 2 224.251 2.527 20 0 BFADLO COc1ccc2[nH+]c(NCC(C)C)ccc2c1 ZINC000613313299 363097243 /nfs/dbraw/zinc/09/72/43/363097243.db2.gz AHQLZIWAHQMKLA-UHFFFAOYSA-N 1 2 230.311 2.733 20 0 BFADLO Cc1scc(C[N@H+](C)Cc2cc[nH]n2)c1C ZINC000638065935 351936254 /nfs/dbraw/zinc/93/62/54/351936254.db2.gz ZSNCSCLOWUUHBA-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1scc(C[N@@H+](C)Cc2cc[nH]n2)c1C ZINC000638065935 351936256 /nfs/dbraw/zinc/93/62/56/351936256.db2.gz ZSNCSCLOWUUHBA-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CC[N@H+](Cc1ccns1)Cc1ccccn1 ZINC000638066863 351938409 /nfs/dbraw/zinc/93/84/09/351938409.db2.gz NGPMLOAWGSZTOS-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO CC[N@@H+](Cc1ccns1)Cc1ccccn1 ZINC000638066863 351938411 /nfs/dbraw/zinc/93/84/11/351938411.db2.gz NGPMLOAWGSZTOS-UHFFFAOYSA-N 1 2 233.340 2.560 20 0 BFADLO Fc1ccc2c(c1)C[N@@H+](Cc1ccns1)CC2 ZINC000638074892 351945275 /nfs/dbraw/zinc/94/52/75/351945275.db2.gz BHQNXACMQACVSI-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc2c(c1)C[N@H+](Cc1ccns1)CC2 ZINC000638074892 351945279 /nfs/dbraw/zinc/94/52/79/351945279.db2.gz BHQNXACMQACVSI-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cccc(C)n2)sn1 ZINC000638111612 351989343 /nfs/dbraw/zinc/98/93/43/351989343.db2.gz OELQAIAOZUDRCD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cccc(C)n2)sn1 ZINC000638111612 351989348 /nfs/dbraw/zinc/98/93/48/351989348.db2.gz OELQAIAOZUDRCD-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO C[C@@H]1CC[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000410875891 191150571 /nfs/dbraw/zinc/15/05/71/191150571.db2.gz DNSVRJWTWAPKNE-GHMZBOCLSA-N 1 2 243.310 2.709 20 0 BFADLO COc1cc(C)ccc1[NH2+]CCC[C@@H]1CCO1 ZINC000638229129 352085194 /nfs/dbraw/zinc/08/51/94/352085194.db2.gz CIYVNTXJWYQJSM-GFCCVEGCSA-N 1 2 235.327 2.985 20 0 BFADLO CC[N@H+](Cc1cnns1)Cc1ccccc1C ZINC000289420934 352184837 /nfs/dbraw/zinc/18/48/37/352184837.db2.gz UQSIMMOXDWWXGV-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO CC[N@@H+](Cc1cnns1)Cc1ccccc1C ZINC000289420934 352184840 /nfs/dbraw/zinc/18/48/40/352184840.db2.gz UQSIMMOXDWWXGV-UHFFFAOYSA-N 1 2 247.367 2.869 20 0 BFADLO COc1cccc(C)c1C[NH2+]Cc1nccs1 ZINC000638395249 352202861 /nfs/dbraw/zinc/20/28/61/352202861.db2.gz ACJZZNAVYNOKLA-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO COC(=O)C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037187556 358469526 /nfs/dbraw/zinc/46/95/26/358469526.db2.gz ZSMJTPGDFSWVLM-ZDUSSCGKSA-N 1 2 249.354 2.927 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2cccc(C)c2)[nH]1 ZINC000411199400 191168643 /nfs/dbraw/zinc/16/86/43/191168643.db2.gz YMOPBWZXRGLGFC-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2cccc(C)c2)[nH]1 ZINC000411199400 191168646 /nfs/dbraw/zinc/16/86/46/191168646.db2.gz YMOPBWZXRGLGFC-LLVKDONJSA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@H](C)[N@H+](C)Cc2cccc(C)c2)[nH]1 ZINC000411199402 191170102 /nfs/dbraw/zinc/17/01/02/191170102.db2.gz YMOPBWZXRGLGFC-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2cccc(C)c2)[nH]1 ZINC000411199402 191170105 /nfs/dbraw/zinc/17/01/05/191170105.db2.gz YMOPBWZXRGLGFC-NSHDSACASA-N 1 2 244.342 2.615 20 0 BFADLO CCc1nc(C)c(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000293549740 352354425 /nfs/dbraw/zinc/35/44/25/352354425.db2.gz YSOFIYSBLSKMGL-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO CCc1nc(C(C)C)ccc1C[NH+]1CCOCC1 ZINC000292941885 352334106 /nfs/dbraw/zinc/33/41/06/352334106.db2.gz BABCAHSUHYJYPC-UHFFFAOYSA-N 1 2 248.370 2.600 20 0 BFADLO CC(C)[N@H+](CCc1cncs1)CC(F)F ZINC000411328752 191176599 /nfs/dbraw/zinc/17/65/99/191176599.db2.gz PZRVVSNJNKJNNB-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO CC(C)[N@@H+](CCc1cncs1)CC(F)F ZINC000411328752 191176602 /nfs/dbraw/zinc/17/66/02/191176602.db2.gz PZRVVSNJNKJNNB-UHFFFAOYSA-N 1 2 234.315 2.661 20 0 BFADLO C[C@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556939 191194698 /nfs/dbraw/zinc/19/46/98/191194698.db2.gz JQMRXJXABHZVJM-LEWSCRJBSA-N 1 2 247.313 2.593 20 0 BFADLO C[C@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CCC1=O ZINC000411556939 191194700 /nfs/dbraw/zinc/19/47/00/191194700.db2.gz JQMRXJXABHZVJM-LEWSCRJBSA-N 1 2 247.313 2.593 20 0 BFADLO CC1CC[NH+](Cc2nccn2C(F)F)CC1 ZINC000073602496 352510913 /nfs/dbraw/zinc/51/09/13/352510913.db2.gz JAQJNMJGHBFOHQ-UHFFFAOYSA-N 1 2 229.274 2.510 20 0 BFADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)n1 ZINC000073637188 352552516 /nfs/dbraw/zinc/55/25/16/352552516.db2.gz SHCFWODCSDKKPY-RKDXNWHRSA-N 1 2 249.289 2.929 20 0 BFADLO C[C@H]1C[C@H]1N(Cc1c[nH+]cn1C)c1ccccc1 ZINC000411930004 191229260 /nfs/dbraw/zinc/22/92/60/191229260.db2.gz YMAXCPCRZHJKTK-SWLSCSKDSA-N 1 2 241.338 2.835 20 0 BFADLO CC[N@H+](Cc1occc1C)[C@H](C)c1nnc(C)[nH]1 ZINC000412032706 191241386 /nfs/dbraw/zinc/24/13/86/191241386.db2.gz ZQLMPMIHODRXHW-SNVBAGLBSA-N 1 2 248.330 2.598 20 0 BFADLO CC[N@@H+](Cc1occc1C)[C@H](C)c1nnc(C)[nH]1 ZINC000412032706 191241389 /nfs/dbraw/zinc/24/13/89/191241389.db2.gz ZQLMPMIHODRXHW-SNVBAGLBSA-N 1 2 248.330 2.598 20 0 BFADLO CCSCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411946377 191230544 /nfs/dbraw/zinc/23/05/44/191230544.db2.gz OWHAOERRGGICBJ-UHFFFAOYSA-N 1 2 249.379 2.958 20 0 BFADLO CCSCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000411946377 191230546 /nfs/dbraw/zinc/23/05/46/191230546.db2.gz OWHAOERRGGICBJ-UHFFFAOYSA-N 1 2 249.379 2.958 20 0 BFADLO C[C@@H]1C[C@@H]1N(Cc1[nH+]ccn1C)c1ccccc1 ZINC000411925730 191231819 /nfs/dbraw/zinc/23/18/19/191231819.db2.gz NXCCFNXQFGSZKY-OCCSQVGLSA-N 1 2 241.338 2.835 20 0 BFADLO COc1cc(C)cc(C[NH2+]Cc2ncc(C)o2)c1 ZINC000638778904 352729791 /nfs/dbraw/zinc/72/97/91/352729791.db2.gz OIMKPWPKPRNTLX-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO CC(C)c1[nH+]cc(-c2ccc(F)cc2CO)n1C ZINC000623166430 352739065 /nfs/dbraw/zinc/73/90/65/352739065.db2.gz ZZAWARULCBDXPO-UHFFFAOYSA-N 1 2 248.301 2.842 20 0 BFADLO Cc1[nH+]cccc1N[C@@H](C)[C@H]1CC1(F)F ZINC000638785602 352739659 /nfs/dbraw/zinc/73/96/59/352739659.db2.gz DQWFNPRWJQJVBR-IONNQARKSA-N 1 2 212.243 2.846 20 0 BFADLO Cc1c[nH+]cc(N[C@@H](C)[C@@H]2CC2(F)F)c1 ZINC000638787599 352743290 /nfs/dbraw/zinc/74/32/90/352743290.db2.gz VOCYIRBAOMFJMT-WPRPVWTQSA-N 1 2 212.243 2.846 20 0 BFADLO Cc1ccncc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638793362 352756496 /nfs/dbraw/zinc/75/64/96/352756496.db2.gz UUAYMPTXKCLZMF-ZDUSSCGKSA-N 1 2 242.326 2.687 20 0 BFADLO Cc1nscc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334189991 352780177 /nfs/dbraw/zinc/78/01/77/352780177.db2.gz HHSARVJRLZKKFR-UHFFFAOYSA-N 1 2 247.323 2.716 20 0 BFADLO Cc1ccc(CN2CCn3cc[nH+]c3C2)c(C)c1 ZINC000334256107 352866185 /nfs/dbraw/zinc/86/61/85/352866185.db2.gz OQZGBCIZMXJLBG-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccnc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000334247762 352838968 /nfs/dbraw/zinc/83/89/68/352838968.db2.gz MXKOEWSDCLOSIZ-UHFFFAOYSA-N 1 2 245.370 2.963 20 0 BFADLO Cc1ccnc(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000334247762 352838970 /nfs/dbraw/zinc/83/89/70/352838970.db2.gz MXKOEWSDCLOSIZ-UHFFFAOYSA-N 1 2 245.370 2.963 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H](C)C1CC1 ZINC000334282481 352923418 /nfs/dbraw/zinc/92/34/18/352923418.db2.gz ICUFEDQHUKPFPO-NSHDSACASA-N 1 2 247.342 2.961 20 0 BFADLO COc1ccc[nH+]c1NCC1CCSCC1 ZINC000229301735 353005905 /nfs/dbraw/zinc/00/59/05/353005905.db2.gz FUSDUIRJTIRAQM-UHFFFAOYSA-N 1 2 238.356 2.645 20 0 BFADLO ClC1(Cl)C[C@H]1CNc1cccc[nH+]1 ZINC000307726714 353113211 /nfs/dbraw/zinc/11/32/11/353113211.db2.gz DALSXBGMUZWWSW-ZETCQYMHSA-N 1 2 217.099 2.687 20 0 BFADLO Fc1ccc2c(c1)CC[N@@H+](Cc1ccns1)C2 ZINC000638925764 353086123 /nfs/dbraw/zinc/08/61/23/353086123.db2.gz UWYWDUMKQBWZKY-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc2c(c1)CC[N@H+](Cc1ccns1)C2 ZINC000638925764 353086126 /nfs/dbraw/zinc/08/61/26/353086126.db2.gz UWYWDUMKQBWZKY-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1cncs1 ZINC000092935796 538108054 /nfs/dbraw/zinc/10/80/54/538108054.db2.gz JKWBYHZFVIESQP-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1cncs1 ZINC000092935796 538108055 /nfs/dbraw/zinc/10/80/55/538108055.db2.gz JKWBYHZFVIESQP-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CO[C@H]1CCC[C@@H](Nc2c[nH+]cc(C)c2)C1 ZINC000232073343 538108201 /nfs/dbraw/zinc/10/82/01/538108201.db2.gz STCACEOJCRVURS-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO Cc1nc(N(C)[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000360535260 188068962 /nfs/dbraw/zinc/06/89/62/188068962.db2.gz OIVJVUOBUDFCHA-PWSUYJOCSA-N 1 2 219.332 2.800 20 0 BFADLO CO[C@H](CNc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000638971768 353179741 /nfs/dbraw/zinc/17/97/41/353179741.db2.gz DKEVNPXIRFFTNC-OAHLLOKOSA-N 1 2 246.354 2.797 20 0 BFADLO c1[nH+]c2c(cc1NCCC[C@H]1CCO1)CCCC2 ZINC000638975164 353180044 /nfs/dbraw/zinc/18/00/44/353180044.db2.gz XMWQPGMCNGOTPL-AWEZNQCLSA-N 1 2 246.354 2.941 20 0 BFADLO CSc1ccc(N[C@@H](C)[C@H]2CCOC2)[nH+]c1 ZINC000134310235 188156315 /nfs/dbraw/zinc/15/63/15/188156315.db2.gz NSYGIOSQNDZIDP-UWVGGRQHSA-N 1 2 238.356 2.640 20 0 BFADLO FCCCSc1[nH+]cc2ccccn21 ZINC000150944995 188157107 /nfs/dbraw/zinc/15/71/07/188157107.db2.gz CPNFNOOZFNORFQ-UHFFFAOYSA-N 1 2 210.277 2.786 20 0 BFADLO CC(C)(CF)[NH2+]Cc1ncc(Cl)s1 ZINC000336645436 188162863 /nfs/dbraw/zinc/16/28/63/188162863.db2.gz WKLWWLFHMPHQDO-UHFFFAOYSA-N 1 2 222.716 2.634 20 0 BFADLO CC(C)[N@H+](CCc1cccnc1)CC(F)F ZINC000178559962 188166516 /nfs/dbraw/zinc/16/65/16/188166516.db2.gz MKWRSTZQTHOYJP-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO CC(C)[N@@H+](CCc1cccnc1)CC(F)F ZINC000178559962 188166517 /nfs/dbraw/zinc/16/65/17/188166517.db2.gz MKWRSTZQTHOYJP-UHFFFAOYSA-N 1 2 228.286 2.600 20 0 BFADLO Cc1nc(N(C)C2CCCCC2)cc[nH+]1 ZINC000266127669 188195466 /nfs/dbraw/zinc/19/54/66/188195466.db2.gz NVGFVSWYRDOOEP-UHFFFAOYSA-N 1 2 205.305 2.554 20 0 BFADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000134548503 538112878 /nfs/dbraw/zinc/11/28/78/538112878.db2.gz KQXCAJOPXGNFIR-MRVPVSSYSA-N 1 2 221.329 2.630 20 0 BFADLO CC(C)c1nc(N(C)Cc2ccncc2)cc[nH+]1 ZINC000110127135 188176433 /nfs/dbraw/zinc/17/64/33/188176433.db2.gz XFUQELVIAQZTIP-UHFFFAOYSA-N 1 2 242.326 2.631 20 0 BFADLO CC(C)COCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337389893 188186659 /nfs/dbraw/zinc/18/66/59/188186659.db2.gz GXENPXZJTIGROO-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC(C)COCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337389893 188186661 /nfs/dbraw/zinc/18/66/61/188186661.db2.gz GXENPXZJTIGROO-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO C=Cn1cc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000194354596 188230956 /nfs/dbraw/zinc/23/09/56/188230956.db2.gz GDUHTNHCMFJECH-UHFFFAOYSA-N 1 2 228.299 2.608 20 0 BFADLO COc1ccc(N[C@H](C)C(C)(C)C)[nH+]c1 ZINC000225835664 538114184 /nfs/dbraw/zinc/11/41/84/538114184.db2.gz RLRHBCBLDMMDEG-SECBINFHSA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(N[C@@H](C)CC(C)C)[nH+]c1 ZINC000225835693 538114194 /nfs/dbraw/zinc/11/41/94/538114194.db2.gz PQABTLFKUMTLMT-JTQLQIEISA-N 1 2 208.305 2.937 20 0 BFADLO COc1ccc(N[C@H]2CC[C@@H](C)C2)[nH+]c1 ZINC000225894691 538114628 /nfs/dbraw/zinc/11/46/28/538114628.db2.gz UZULCRXBSRLHRM-ZJUUUORDSA-N 1 2 206.289 2.691 20 0 BFADLO CC[N@@H+](Cc1ccoc1)Cc1nccs1 ZINC000135027604 538114576 /nfs/dbraw/zinc/11/45/76/538114576.db2.gz RQVHVQLCSCFUSE-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CC[N@H+](Cc1ccoc1)Cc1nccs1 ZINC000135027604 538114577 /nfs/dbraw/zinc/11/45/77/538114577.db2.gz RQVHVQLCSCFUSE-UHFFFAOYSA-N 1 2 222.313 2.758 20 0 BFADLO CN(CCCOc1ccccc1)c1cccc[nH+]1 ZINC000076683650 353337362 /nfs/dbraw/zinc/33/73/62/353337362.db2.gz DSZQPXILNHOFAV-UHFFFAOYSA-N 1 2 242.322 2.987 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccns1 ZINC000639040308 353316178 /nfs/dbraw/zinc/31/61/78/353316178.db2.gz HMMFBDLDMUFJOM-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccns1 ZINC000639040308 353316179 /nfs/dbraw/zinc/31/61/79/353316179.db2.gz HMMFBDLDMUFJOM-JTQLQIEISA-N 1 2 233.340 2.731 20 0 BFADLO CC(C)[C@H]1CC[N@H+](Cc2nnsc2Cl)C1 ZINC000133160215 353399681 /nfs/dbraw/zinc/39/96/81/353399681.db2.gz HEKADLFOALEZBB-QMMMGPOBSA-N 1 2 245.779 2.669 20 0 BFADLO CC(C)[C@H]1CC[N@@H+](Cc2nnsc2Cl)C1 ZINC000133160215 353399686 /nfs/dbraw/zinc/39/96/86/353399686.db2.gz HEKADLFOALEZBB-QMMMGPOBSA-N 1 2 245.779 2.669 20 0 BFADLO CC[C@@H]([NH2+]Cc1cc(C)on1)c1c(C)noc1C ZINC000182433954 353476332 /nfs/dbraw/zinc/47/63/32/353476332.db2.gz LNRGNYRQWULSKR-GFCCVEGCSA-N 1 2 249.314 2.829 20 0 BFADLO C(c1noc(C2CC2)n1)[NH+]1CCC2(CCC2)CC1 ZINC000367524361 188427435 /nfs/dbraw/zinc/42/74/35/188427435.db2.gz BYYLBRPUNUUPRN-UHFFFAOYSA-N 1 2 247.342 2.713 20 0 BFADLO CO[C@H]1CC[C@H](Nc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000231682682 353644042 /nfs/dbraw/zinc/64/40/42/353644042.db2.gz XDDXGMACDDCPDI-RYUDHWBXSA-N 1 2 249.358 2.888 20 0 BFADLO Fc1cccc2c1C[N@H+](Cc1ccco1)CC2 ZINC000093454204 181006348 /nfs/dbraw/zinc/00/63/48/181006348.db2.gz FHKPYGGKNUFTBW-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO Fc1cccc2c1C[N@@H+](Cc1ccco1)CC2 ZINC000093454204 181006349 /nfs/dbraw/zinc/00/63/49/181006349.db2.gz FHKPYGGKNUFTBW-UHFFFAOYSA-N 1 2 231.270 2.977 20 0 BFADLO CC(C)CC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232571079 353735336 /nfs/dbraw/zinc/73/53/36/353735336.db2.gz FQMZTJBICIYWIR-MRVPVSSYSA-N 1 2 242.754 2.949 20 0 BFADLO CC(C)CC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232571079 353735338 /nfs/dbraw/zinc/73/53/38/353735338.db2.gz FQMZTJBICIYWIR-MRVPVSSYSA-N 1 2 242.754 2.949 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)sn1 ZINC000639119916 353758553 /nfs/dbraw/zinc/75/85/53/353758553.db2.gz MWCYGCJPCXYEOZ-UHFFFAOYSA-N 1 2 220.288 2.585 20 0 BFADLO Fc1ccccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072187618 181011074 /nfs/dbraw/zinc/01/10/74/181011074.db2.gz HLMQQULFDBMXPG-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000072187618 181011075 /nfs/dbraw/zinc/01/10/75/181011075.db2.gz HLMQQULFDBMXPG-AWEZNQCLSA-N 1 2 245.301 2.886 20 0 BFADLO CCCC[C@@H](CC)C(=O)NCc1[nH]c[nH+]c1C ZINC000266939107 353818842 /nfs/dbraw/zinc/81/88/42/353818842.db2.gz AQVVJGJGFGETBP-LLVKDONJSA-N 1 2 237.347 2.551 20 0 BFADLO CCNc1[nH+]ccc(C)c1Br ZINC000233698454 353834860 /nfs/dbraw/zinc/83/48/60/353834860.db2.gz YQAXEBKMKXPRIT-UHFFFAOYSA-N 1 2 215.094 2.584 20 0 BFADLO c1ccc(NC[C@H]2COc3ccccc32)[nH+]c1 ZINC000334531221 353909508 /nfs/dbraw/zinc/90/95/08/353909508.db2.gz OEQGQTXHFFSGLX-NSHDSACASA-N 1 2 226.279 2.670 20 0 BFADLO CC[C@@]1(C)CCN(c2[nH+]c(C)nc3[nH]ccc32)C1 ZINC000343546071 353918840 /nfs/dbraw/zinc/91/88/40/353918840.db2.gz ZKHIHTWYPSWMNG-AWEZNQCLSA-N 1 2 244.342 2.893 20 0 BFADLO Cc1nc(N2C[C@H](C)CC(C)(C)C2)cc[nH+]1 ZINC000343522327 353926744 /nfs/dbraw/zinc/92/67/44/353926744.db2.gz MOOUHRMCMGFQGG-SNVBAGLBSA-N 1 2 219.332 2.657 20 0 BFADLO COCC[C@H](Cc1ccco1)Nc1cccc[nH+]1 ZINC000343607332 353932238 /nfs/dbraw/zinc/93/22/38/353932238.db2.gz PWZHRQOXTXNZMX-GFCCVEGCSA-N 1 2 246.310 2.734 20 0 BFADLO CC[N@H+](CCCNC(C)=O)c1cc(C)cc(C)c1 ZINC000178513894 366133154 /nfs/dbraw/zinc/13/31/54/366133154.db2.gz JUIPGYZXAJQYKN-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO CC[N@@H+](CCCNC(C)=O)c1cc(C)cc(C)c1 ZINC000178513894 366133159 /nfs/dbraw/zinc/13/31/59/366133159.db2.gz JUIPGYZXAJQYKN-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO Cc1ccc(NC(=O)[C@@]2(C)CCCCO2)c(C)[nH+]1 ZINC000334540908 353974876 /nfs/dbraw/zinc/97/48/76/353974876.db2.gz NGPUNINKACGFFI-CQSZACIVSA-N 1 2 248.326 2.596 20 0 BFADLO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC(F)F ZINC000639162408 353954226 /nfs/dbraw/zinc/95/42/26/353954226.db2.gz OKINSSLCNOQWPT-JOYOIKCWSA-N 1 2 229.270 2.617 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000334559977 354009470 /nfs/dbraw/zinc/00/94/70/354009470.db2.gz PLSNHJDKWGQLRG-SNVBAGLBSA-N 1 2 248.374 2.852 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)[nH]1 ZINC000334559977 354009473 /nfs/dbraw/zinc/00/94/73/354009473.db2.gz PLSNHJDKWGQLRG-SNVBAGLBSA-N 1 2 248.374 2.852 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000343811909 354011647 /nfs/dbraw/zinc/01/16/47/354011647.db2.gz SLXRUBSACTVQKD-ONGXEEELSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@H]1CC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000343811909 354011649 /nfs/dbraw/zinc/01/16/49/354011649.db2.gz SLXRUBSACTVQKD-ONGXEEELSA-N 1 2 232.331 2.509 20 0 BFADLO Clc1cnn(CC[NH+]2Cc3ccccc3C2)c1 ZINC000334564811 354083775 /nfs/dbraw/zinc/08/37/75/354083775.db2.gz OZNLVJSKPWXBOF-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1cc(NC[C@@H]2CCC[C@@H]2C)nc[nH+]1 ZINC000230696353 363321425 /nfs/dbraw/zinc/32/14/25/363321425.db2.gz RQCSEYMANWWWHH-ONGXEEELSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1occc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334593942 354225725 /nfs/dbraw/zinc/22/57/25/354225725.db2.gz CDSCXXDNHGJHHJ-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO Cc1ccc(OCc2ccc(C)[nH+]c2C)nc1 ZINC000334624995 354364977 /nfs/dbraw/zinc/36/49/77/354364977.db2.gz QFKHXHZAVPTWAF-UHFFFAOYSA-N 1 2 228.295 2.981 20 0 BFADLO C[C@H]1CC[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000334667066 354406050 /nfs/dbraw/zinc/40/60/50/354406050.db2.gz VHUFGUAHTPAWMM-WDEREUQCSA-N 1 2 247.342 2.594 20 0 BFADLO Cc1occc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000334668043 354407477 /nfs/dbraw/zinc/40/74/77/354407477.db2.gz HMOCEBXVKAYSNZ-BXKDBHETSA-N 1 2 231.299 2.580 20 0 BFADLO C[C@@H](c1csnn1)[NH+]1CCC(C(F)F)CC1 ZINC000334676168 354419704 /nfs/dbraw/zinc/41/97/04/354419704.db2.gz NKFXPTKVFWTYOP-ZETCQYMHSA-N 1 2 247.314 2.576 20 0 BFADLO CCC1(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCC1 ZINC000334748533 354473080 /nfs/dbraw/zinc/47/30/80/354473080.db2.gz AZIFRNDETIHREC-MNOVXSKESA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)no1 ZINC000334727712 354527973 /nfs/dbraw/zinc/52/79/73/354527973.db2.gz MGVZYMLYSMWJPN-QMTHXVAHSA-N 1 2 244.294 2.595 20 0 BFADLO Cc1cc(C)c(NC(=O)N2CCCCO2)c(C)[nH+]1 ZINC000334701849 354495217 /nfs/dbraw/zinc/49/52/17/354495217.db2.gz PBNFLHYQSWCPSH-UHFFFAOYSA-N 1 2 249.314 2.566 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCC[C@H]1C ZINC000334724361 354524423 /nfs/dbraw/zinc/52/44/23/354524423.db2.gz CKDWSUHSCQOYNO-RISCZKNCSA-N 1 2 232.327 2.577 20 0 BFADLO CCC1(C)CC[NH+]([C@@H](C)c2noc(C)n2)CC1 ZINC000334755593 354577690 /nfs/dbraw/zinc/57/76/90/354577690.db2.gz FTHHVVCBHMTGKG-JTQLQIEISA-N 1 2 237.347 2.951 20 0 BFADLO Cc1ccc(Cc2nc(CCC(C)C)no2)c[nH+]1 ZINC000345467705 354662516 /nfs/dbraw/zinc/66/25/16/354662516.db2.gz ZJYDLEXMMARVAS-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335112357 354699595 /nfs/dbraw/zinc/69/95/95/354699595.db2.gz NSUPQGUVCMYLPH-MRVPVSSYSA-N 1 2 245.273 2.629 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2nc(C(F)F)no2)CC1 ZINC000335112357 354699599 /nfs/dbraw/zinc/69/95/99/354699599.db2.gz NSUPQGUVCMYLPH-MRVPVSSYSA-N 1 2 245.273 2.629 20 0 BFADLO CC1(C)CCC[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335123464 354763727 /nfs/dbraw/zinc/76/37/27/354763727.db2.gz SJKNDBUSIVISBO-UHFFFAOYSA-N 1 2 245.273 2.629 20 0 BFADLO CC1(C)CCC[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335123464 354763730 /nfs/dbraw/zinc/76/37/30/354763730.db2.gz SJKNDBUSIVISBO-UHFFFAOYSA-N 1 2 245.273 2.629 20 0 BFADLO CC(C)CCCNc1nc[nH+]c(N)c1Cl ZINC000232545897 363375881 /nfs/dbraw/zinc/37/58/81/363375881.db2.gz RPFJLJWSZGBNFG-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO CC(C)CCCNc1[nH+]cnc(N)c1Cl ZINC000232545897 363375885 /nfs/dbraw/zinc/37/58/85/363375885.db2.gz RPFJLJWSZGBNFG-UHFFFAOYSA-N 1 2 228.727 2.560 20 0 BFADLO Cc1nc(C[NH2+][C@H](C)c2ccoc2)cs1 ZINC000087289983 491067650 /nfs/dbraw/zinc/06/76/50/491067650.db2.gz RBRIFJVCMGAQJX-MRVPVSSYSA-N 1 2 222.313 2.895 20 0 BFADLO CCCCc1nc(C[N@@H+]2CCC[C@H](C)C2)no1 ZINC000053602282 363417127 /nfs/dbraw/zinc/41/71/27/363417127.db2.gz YQWXERPQALAPJY-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCCCc1nc(C[N@H+]2CCC[C@H](C)C2)no1 ZINC000053602282 363417132 /nfs/dbraw/zinc/41/71/32/363417132.db2.gz YQWXERPQALAPJY-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CC1=C(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)CCC1 ZINC000335160703 354912331 /nfs/dbraw/zinc/91/23/31/354912331.db2.gz YZQHFXDJEATSSG-PWSUYJOCSA-N 1 2 245.326 2.506 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+](C)Cc1cccc(CC)c1 ZINC000346410003 354914705 /nfs/dbraw/zinc/91/47/05/354914705.db2.gz IRWWMEDEBLKXCA-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1cccc(CC)c1 ZINC000346410003 354914709 /nfs/dbraw/zinc/91/47/09/354914709.db2.gz IRWWMEDEBLKXCA-LBPRGKRZSA-N 1 2 249.354 2.632 20 0 BFADLO Cc1ccc(-c2nc(Cn3cc[nH+]c3)co2)cc1 ZINC000346621163 354995554 /nfs/dbraw/zinc/99/55/54/354995554.db2.gz RFRCUDGKFMYARE-UHFFFAOYSA-N 1 2 239.278 2.895 20 0 BFADLO CCC1(C)C[NH+](Cc2nn(C)c(C)c2Cl)C1 ZINC000335193206 355025903 /nfs/dbraw/zinc/02/59/03/355025903.db2.gz PCSGQRWTKJDENE-UHFFFAOYSA-N 1 2 241.766 2.614 20 0 BFADLO Cc1cc(NC(=O)C[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346817903 355123634 /nfs/dbraw/zinc/12/36/34/355123634.db2.gz PNLINLPRNSXCHC-DGCLKSJQSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1cccc2[nH+]cc(/C=C/c3ccncn3)n21 ZINC000346874612 355141875 /nfs/dbraw/zinc/14/18/75/355141875.db2.gz AKGNRIXXJCEGFH-AATRIKPKSA-N 1 2 236.278 2.603 20 0 BFADLO CC(C)C[C@@H](C)c1nc(Cc2c[nH+]cn2C)no1 ZINC000346885792 355144828 /nfs/dbraw/zinc/14/48/28/355144828.db2.gz CJVVSOAERQYFCQ-SNVBAGLBSA-N 1 2 248.330 2.544 20 0 BFADLO C1=CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413157653 191356881 /nfs/dbraw/zinc/35/68/81/191356881.db2.gz QQPSMBGINDRJMP-SNVBAGLBSA-N 1 2 230.315 2.572 20 0 BFADLO C1=CC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413157653 191356883 /nfs/dbraw/zinc/35/68/83/191356883.db2.gz QQPSMBGINDRJMP-SNVBAGLBSA-N 1 2 230.315 2.572 20 0 BFADLO c1cc2[nH+]ccc(N[C@H]3CCC[C@H]4C[C@H]43)c2cn1 ZINC000413466354 191382968 /nfs/dbraw/zinc/38/29/68/191382968.db2.gz XNAILULBWUSSKQ-WDMOLILDSA-N 1 2 239.322 2.652 20 0 BFADLO CC(C)[C@@H]1CCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000413188870 191362205 /nfs/dbraw/zinc/36/22/05/191362205.db2.gz VGIDZBGMZJSDNR-LLVKDONJSA-N 1 2 246.358 2.533 20 0 BFADLO CC(C)[C@@H]1CCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000413188870 191362207 /nfs/dbraw/zinc/36/22/07/191362207.db2.gz VGIDZBGMZJSDNR-LLVKDONJSA-N 1 2 246.358 2.533 20 0 BFADLO C[C@@H](N(C)c1cc(NC2CC2)[nH+]cn1)C1(C)CC1 ZINC000413191188 191362509 /nfs/dbraw/zinc/36/25/09/191362509.db2.gz XYEDPIOZHYIPKH-SNVBAGLBSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H](N(C)c1cc(NC2CC2)nc[nH+]1)C1(C)CC1 ZINC000413191188 191362510 /nfs/dbraw/zinc/36/25/10/191362510.db2.gz XYEDPIOZHYIPKH-SNVBAGLBSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000413241049 191363667 /nfs/dbraw/zinc/36/36/67/191363667.db2.gz GJKFFCXCWHNSIM-MWLCHTKSSA-N 1 2 232.331 2.651 20 0 BFADLO C[C@@H]1CC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000413241049 191363670 /nfs/dbraw/zinc/36/36/70/191363670.db2.gz GJKFFCXCWHNSIM-MWLCHTKSSA-N 1 2 232.331 2.651 20 0 BFADLO Cc1ccoc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000413297044 191369212 /nfs/dbraw/zinc/36/92/12/191369212.db2.gz DVLSRGWRCJKNAO-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO Cc1ccoc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000413297044 191369213 /nfs/dbraw/zinc/36/92/13/191369213.db2.gz DVLSRGWRCJKNAO-UHFFFAOYSA-N 1 2 244.298 2.564 20 0 BFADLO CCC1CN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000413364688 191374627 /nfs/dbraw/zinc/37/46/27/191374627.db2.gz OGGQCUZPQPLCKL-UHFFFAOYSA-N 1 2 231.343 2.510 20 0 BFADLO CC(F)(F)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000413336571 191375484 /nfs/dbraw/zinc/37/54/84/191375484.db2.gz VKORBLDEVPDTPZ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO CC(F)(F)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000413336571 191375486 /nfs/dbraw/zinc/37/54/86/191375486.db2.gz VKORBLDEVPDTPZ-UHFFFAOYSA-N 1 2 242.273 2.508 20 0 BFADLO Cc1ccc(C[NH+]2CC(C(F)F)C2)c(F)c1 ZINC000639252640 355289531 /nfs/dbraw/zinc/28/95/31/355289531.db2.gz NWEMKZXFQPRFOQ-UHFFFAOYSA-N 1 2 229.245 2.831 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000335779978 355407073 /nfs/dbraw/zinc/40/70/73/355407073.db2.gz VZNJUWDXLMHADV-CYBMUJFWSA-N 1 2 233.359 2.729 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC000335779978 355407075 /nfs/dbraw/zinc/40/70/75/355407075.db2.gz VZNJUWDXLMHADV-CYBMUJFWSA-N 1 2 233.359 2.729 20 0 BFADLO CC[N@H+](Cc1cnc[nH]1)Cc1cccc(F)c1 ZINC000349576309 355395177 /nfs/dbraw/zinc/39/51/77/355395177.db2.gz CHKOGKWNYSPTFK-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1cnc[nH]1)Cc1cccc(F)c1 ZINC000349576309 355395180 /nfs/dbraw/zinc/39/51/80/355395180.db2.gz CHKOGKWNYSPTFK-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@H+](Cc1c[nH]cn1)Cc1cccc(F)c1 ZINC000349576309 355395183 /nfs/dbraw/zinc/39/51/83/355395183.db2.gz CHKOGKWNYSPTFK-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO CC[N@@H+](Cc1c[nH]cn1)Cc1cccc(F)c1 ZINC000349576309 355395185 /nfs/dbraw/zinc/39/51/85/355395185.db2.gz CHKOGKWNYSPTFK-UHFFFAOYSA-N 1 2 233.290 2.571 20 0 BFADLO Fc1ccccc1COc1cc[nH+]cc1 ZINC000335811968 355498217 /nfs/dbraw/zinc/49/82/17/355498217.db2.gz HMVDQZJTAODDPV-UHFFFAOYSA-N 1 2 203.216 2.800 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000349816595 355468577 /nfs/dbraw/zinc/46/85/77/355468577.db2.gz NWBUHQGRTNTORZ-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c(F)c2)CCO1 ZINC000349816595 355468581 /nfs/dbraw/zinc/46/85/81/355468581.db2.gz NWBUHQGRTNTORZ-CYBMUJFWSA-N 1 2 237.318 2.745 20 0 BFADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccon2)cn1 ZINC000349829894 355486752 /nfs/dbraw/zinc/48/67/52/355486752.db2.gz IIZOYZCXBIFOEH-MNOVXSKESA-N 1 2 248.330 2.864 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349830429 355487715 /nfs/dbraw/zinc/48/77/15/355487715.db2.gz GFJCCOLHMRANQZ-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO CCc1cc[nH+]cc1N[C@H]1CS[C@H](C)C1 ZINC000639294106 355553516 /nfs/dbraw/zinc/55/35/16/355553516.db2.gz IQMPKCGLCMVGTQ-MWLCHTKSSA-N 1 2 222.357 2.950 20 0 BFADLO CC[C@H](Cc1nc(C[NH2+]C)no1)c1ccccc1 ZINC000349906666 355523810 /nfs/dbraw/zinc/52/38/10/355523810.db2.gz GUYWHAMUNXPHQQ-LLVKDONJSA-N 1 2 245.326 2.525 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H](C)[C@H]1CCCO1 ZINC000639292971 355525070 /nfs/dbraw/zinc/52/50/70/355525070.db2.gz POYIGXJRIHKYPU-VHSXEESVSA-N 1 2 238.356 2.783 20 0 BFADLO COC[C@@H](Nc1[nH+]cccc1SC)C1CC1 ZINC000639295913 355590586 /nfs/dbraw/zinc/59/05/86/355590586.db2.gz SFQOGDAYDDSKPE-SNVBAGLBSA-N 1 2 238.356 2.640 20 0 BFADLO CSc1ccc[nH+]c1NCCC[C@H]1CCO1 ZINC000639297104 355601076 /nfs/dbraw/zinc/60/10/76/355601076.db2.gz ZEUATPBUMOURPG-JTQLQIEISA-N 1 2 238.356 2.785 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)[C@H]1CCCO1 ZINC000639295251 355578411 /nfs/dbraw/zinc/57/84/11/355578411.db2.gz OYZZAQVZDLKCMO-ZWNOBZJWSA-N 1 2 220.316 2.623 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCO1 ZINC000639295250 355578673 /nfs/dbraw/zinc/57/86/73/355578673.db2.gz OYZZAQVZDLKCMO-MFKMUULPSA-N 1 2 220.316 2.623 20 0 BFADLO FC(F)c1ccc(C[N@@H+]2CCC[C@@H](F)C2)cn1 ZINC000639311779 355671611 /nfs/dbraw/zinc/67/16/11/355671611.db2.gz DFKYLBNNWUFHGC-SNVBAGLBSA-N 1 2 244.260 2.953 20 0 BFADLO FC(F)c1ccc(C[N@H+]2CCC[C@@H](F)C2)cn1 ZINC000639311779 355671616 /nfs/dbraw/zinc/67/16/16/355671616.db2.gz DFKYLBNNWUFHGC-SNVBAGLBSA-N 1 2 244.260 2.953 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)[C@H]2CC2(F)F)c1 ZINC000639310092 355666557 /nfs/dbraw/zinc/66/65/57/355666557.db2.gz BNWQFLZVDAALRP-WCBMZHEXSA-N 1 2 242.269 2.684 20 0 BFADLO CC[N@@H+](Cc1cccc2c[nH]nc21)CC(F)F ZINC000350313309 355668390 /nfs/dbraw/zinc/66/83/90/355668390.db2.gz FWOBFAADEPWOBM-UHFFFAOYSA-N 1 2 239.269 2.650 20 0 BFADLO CC[N@H+](Cc1cccc2c[nH]nc21)CC(F)F ZINC000350313309 355668393 /nfs/dbraw/zinc/66/83/93/355668393.db2.gz FWOBFAADEPWOBM-UHFFFAOYSA-N 1 2 239.269 2.650 20 0 BFADLO Cn1c2cccc(F)c2[nH]c1=[NH+]CC(C)(C)C ZINC000350312120 355668602 /nfs/dbraw/zinc/66/86/02/355668602.db2.gz NAKVYFMEEOCNRB-UHFFFAOYSA-N 1 2 235.306 2.592 20 0 BFADLO C[C@H]1CC[N@H+](CCc2ccncc2)CC1(F)F ZINC000335871569 355638067 /nfs/dbraw/zinc/63/80/67/355638067.db2.gz DMNRUGFBVPOUNJ-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO C[C@H]1CC[N@@H+](CCc2ccncc2)CC1(F)F ZINC000335871569 355638070 /nfs/dbraw/zinc/63/80/70/355638070.db2.gz DMNRUGFBVPOUNJ-NSHDSACASA-N 1 2 240.297 2.601 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3cnn(C)c3C2)c(C)c1 ZINC000639325814 355724992 /nfs/dbraw/zinc/72/49/92/355724992.db2.gz UJAWPZGSIVLETL-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3cnn(C)c3C2)c(C)c1 ZINC000639325814 355724996 /nfs/dbraw/zinc/72/49/96/355724996.db2.gz UJAWPZGSIVLETL-UHFFFAOYSA-N 1 2 241.338 2.553 20 0 BFADLO C[C@@H](Nc1c[nH+]cc(N(C)C)c1)[C@@H]1CCCCO1 ZINC000639362332 355817385 /nfs/dbraw/zinc/81/73/85/355817385.db2.gz CLZJSXQBEKXZIJ-RISCZKNCSA-N 1 2 249.358 2.517 20 0 BFADLO CC[C@H]1C[C@H](Nc2c[nH+]cc(N(C)C)c2)CCO1 ZINC000639364240 355833654 /nfs/dbraw/zinc/83/36/54/355833654.db2.gz GYJGXMOYXYWNGA-RISCZKNCSA-N 1 2 249.358 2.517 20 0 BFADLO C[C@@H]1C[C@@H](Nc2c[nH+]cc(N(C)C)c2)C[C@H](C)O1 ZINC000639364993 355836309 /nfs/dbraw/zinc/83/63/09/355836309.db2.gz LSQXFBOYXHOQCJ-ZSBIGDGJSA-N 1 2 249.358 2.516 20 0 BFADLO CC(C)[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000351107789 355949052 /nfs/dbraw/zinc/94/90/52/355949052.db2.gz ZFFYXFFFFNAMRQ-AWEZNQCLSA-N 1 2 237.318 2.683 20 0 BFADLO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000351107789 355949057 /nfs/dbraw/zinc/94/90/57/355949057.db2.gz ZFFYXFFFFNAMRQ-AWEZNQCLSA-N 1 2 237.318 2.683 20 0 BFADLO C[C@@H]1C[N@@H+]([C@@H]2C=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000608750699 355971705 /nfs/dbraw/zinc/97/17/05/355971705.db2.gz PEVZDCOJGKAIOI-MXWKQRLJSA-N 1 2 249.276 2.747 20 0 BFADLO C[C@@H]1C[N@H+]([C@@H]2C=CCCC2)C[C@@H](C(F)(F)F)O1 ZINC000608750699 355971707 /nfs/dbraw/zinc/97/17/07/355971707.db2.gz PEVZDCOJGKAIOI-MXWKQRLJSA-N 1 2 249.276 2.747 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2ccon2)ccc1F ZINC000351591048 356023904 /nfs/dbraw/zinc/02/39/04/356023904.db2.gz AWKVLVNNMPSVQI-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO C[C@H]1[C@H](C(F)(F)F)CCN1c1cccc[nH+]1 ZINC000336080314 134075264 /nfs/dbraw/zinc/07/52/64/134075264.db2.gz JXVVNPXZAJYKTR-DTWKUNHWSA-N 1 2 230.233 2.859 20 0 BFADLO CC1(C)C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC000639393600 356080076 /nfs/dbraw/zinc/08/00/76/356080076.db2.gz OQTIEQNERODDQY-UHFFFAOYSA-N 1 2 211.255 2.807 20 0 BFADLO CC1(C)C[NH+](Cc2nc3ccccc3o2)C1 ZINC000639393597 356080297 /nfs/dbraw/zinc/08/02/97/356080297.db2.gz ONSOTLFZXIZNOJ-UHFFFAOYSA-N 1 2 216.284 2.670 20 0 BFADLO CC(=O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000639438734 356215704 /nfs/dbraw/zinc/21/57/04/356215704.db2.gz DEIISZJWHWAERT-UHFFFAOYSA-N 1 2 245.244 2.726 20 0 BFADLO CC(=O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000639438734 356215707 /nfs/dbraw/zinc/21/57/07/356215707.db2.gz DEIISZJWHWAERT-UHFFFAOYSA-N 1 2 245.244 2.726 20 0 BFADLO CC1(C)C[NH+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000639406706 356200934 /nfs/dbraw/zinc/20/09/34/356200934.db2.gz SPDHUSFSDGZAHR-UHFFFAOYSA-N 1 2 241.338 2.919 20 0 BFADLO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119608 134089834 /nfs/dbraw/zinc/08/98/34/134089834.db2.gz AXUJWYKTAYOSSV-IINYFYTJSA-N 1 2 247.313 2.724 20 0 BFADLO C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCC1=O ZINC000336119608 134089835 /nfs/dbraw/zinc/08/98/35/134089835.db2.gz AXUJWYKTAYOSSV-IINYFYTJSA-N 1 2 247.313 2.724 20 0 BFADLO CC(=O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000639492110 356314158 /nfs/dbraw/zinc/31/41/58/356314158.db2.gz UDFFGYUZJPCHMO-CQSZACIVSA-N 1 2 249.379 2.674 20 0 BFADLO CC(=O)C[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000639492110 356314159 /nfs/dbraw/zinc/31/41/59/356314159.db2.gz UDFFGYUZJPCHMO-CQSZACIVSA-N 1 2 249.379 2.674 20 0 BFADLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC(N)=O ZINC000336134788 134095493 /nfs/dbraw/zinc/09/54/93/134095493.db2.gz ZHQKDUVSKNZTFI-BDAKNGLRSA-N 1 2 236.290 2.669 20 0 BFADLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC(N)=O ZINC000336134788 134095494 /nfs/dbraw/zinc/09/54/94/134095494.db2.gz ZHQKDUVSKNZTFI-BDAKNGLRSA-N 1 2 236.290 2.669 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1noc(C2CC2)n1 ZINC000352397151 356336652 /nfs/dbraw/zinc/33/66/52/356336652.db2.gz HSXPPLKVEMNCJF-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000352397151 356336657 /nfs/dbraw/zinc/33/66/57/356336657.db2.gz HSXPPLKVEMNCJF-SNVBAGLBSA-N 1 2 237.347 2.958 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1noc(CC)n1 ZINC000352399851 356337736 /nfs/dbraw/zinc/33/77/36/356337736.db2.gz VWOBYUVGCLWPNO-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1noc(CC)n1 ZINC000352399851 356337739 /nfs/dbraw/zinc/33/77/39/356337739.db2.gz VWOBYUVGCLWPNO-SNVBAGLBSA-N 1 2 225.336 2.643 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@@H]1CCCO1 ZINC000352549011 356377833 /nfs/dbraw/zinc/37/78/33/356377833.db2.gz XNDRLEXWEPTGQK-LBPRGKRZSA-N 1 2 235.327 2.900 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1nccc(C)n1 ZINC000352553116 356377965 /nfs/dbraw/zinc/37/79/65/356377965.db2.gz FEXKQJFELPUSGN-UHFFFAOYSA-N 1 2 243.310 2.630 20 0 BFADLO CC[C@](C)([NH2+]C[C@H]1CCO[C@@H]1C)C(F)(F)F ZINC000639536496 356387002 /nfs/dbraw/zinc/38/70/02/356387002.db2.gz ZLQBAEFBHLRYRW-BBBLOLIVSA-N 1 2 239.281 2.732 20 0 BFADLO CC1(C)CC[NH+](Cc2noc(C3CC3)n2)CC1 ZINC000336601026 356405154 /nfs/dbraw/zinc/40/51/54/356405154.db2.gz SAMCIPXNCOHHEU-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000041014278 358504725 /nfs/dbraw/zinc/50/47/25/358504725.db2.gz RTEGTSLVVIPHMJ-LLVKDONJSA-N 1 2 245.326 2.659 20 0 BFADLO Cc1nc(N(C)C2CC(OC(C)(C)C)C2)cc[nH+]1 ZINC000420630795 192251553 /nfs/dbraw/zinc/25/15/53/192251553.db2.gz UDPHJCQYAAWTCF-UHFFFAOYSA-N 1 2 249.358 2.567 20 0 BFADLO CC[C@@H]([NH2+]Cc1[nH]ncc1C)c1c(C)noc1C ZINC000352835172 356457692 /nfs/dbraw/zinc/45/76/92/356457692.db2.gz KGAURECRIPMDLB-LLVKDONJSA-N 1 2 248.330 2.564 20 0 BFADLO CC[C@@H]([NH2+]Cc1n[nH]cc1C)c1c(C)noc1C ZINC000352835172 356457695 /nfs/dbraw/zinc/45/76/95/356457695.db2.gz KGAURECRIPMDLB-LLVKDONJSA-N 1 2 248.330 2.564 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000352219608 134108671 /nfs/dbraw/zinc/10/86/71/134108671.db2.gz DTVXAMUKVTZWIH-CMPLNLGQSA-N 1 2 225.311 2.685 20 0 BFADLO CC[C@H](F)C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000352219608 134108672 /nfs/dbraw/zinc/10/86/72/134108672.db2.gz DTVXAMUKVTZWIH-CMPLNLGQSA-N 1 2 225.311 2.685 20 0 BFADLO CC1=CC[N@H+](CC(=O)c2ccccc2F)CC1 ZINC000639567216 356486589 /nfs/dbraw/zinc/48/65/89/356486589.db2.gz NQZJDVAHYLGSRQ-UHFFFAOYSA-N 1 2 233.286 2.660 20 0 BFADLO CC1=CC[N@@H+](CC(=O)c2ccccc2F)CC1 ZINC000639567216 356486593 /nfs/dbraw/zinc/48/65/93/356486593.db2.gz NQZJDVAHYLGSRQ-UHFFFAOYSA-N 1 2 233.286 2.660 20 0 BFADLO C[C@@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000129205474 324928580 /nfs/dbraw/zinc/92/85/80/324928580.db2.gz CNRBJQZBQRFSKZ-ZETCQYMHSA-N 1 2 204.195 2.834 20 0 BFADLO CCC(F)(F)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000639573103 356496057 /nfs/dbraw/zinc/49/60/57/356496057.db2.gz XFMFKXLIHINOFF-QWRGUYRKSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000639573103 356496059 /nfs/dbraw/zinc/49/60/59/356496059.db2.gz XFMFKXLIHINOFF-QWRGUYRKSA-N 1 2 235.318 2.515 20 0 BFADLO CCC(F)(F)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000639582210 356503174 /nfs/dbraw/zinc/50/31/74/356503174.db2.gz FEBHDGKYJFDMBS-LBPRGKRZSA-N 1 2 247.329 2.780 20 0 BFADLO Cn1cc(Cl)c(C[NH+]2CCC(C)(C)CC2)n1 ZINC000420907887 192270130 /nfs/dbraw/zinc/27/01/30/192270130.db2.gz VVTYVSARHIXAQX-UHFFFAOYSA-N 1 2 241.766 2.696 20 0 BFADLO COC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000021515848 356510063 /nfs/dbraw/zinc/51/00/63/356510063.db2.gz XVFFPMWHLDUMQI-JTQLQIEISA-N 1 2 216.284 2.682 20 0 BFADLO CC[C@H]1C[NH+](Cc2nccs2)C[C@H](CC)O1 ZINC000420955456 192279983 /nfs/dbraw/zinc/27/99/83/192279983.db2.gz LQZRINQGXHINOR-QWRGUYRKSA-N 1 2 240.372 2.533 20 0 BFADLO CC[N@H+](Cc1nn(C)cc1Cl)CC(C)(C)C ZINC000420958935 192281081 /nfs/dbraw/zinc/28/10/81/192281081.db2.gz DVVBMCFBCIPWGU-UHFFFAOYSA-N 1 2 243.782 2.942 20 0 BFADLO CC[N@@H+](Cc1nn(C)cc1Cl)CC(C)(C)C ZINC000420958935 192281084 /nfs/dbraw/zinc/28/10/84/192281084.db2.gz DVVBMCFBCIPWGU-UHFFFAOYSA-N 1 2 243.782 2.942 20 0 BFADLO CC[C@@H](c1ccncc1)N(C)c1cc(C)[nH+]cn1 ZINC000301368319 356527698 /nfs/dbraw/zinc/52/76/98/356527698.db2.gz OUROTLMHAXMUMY-ZDUSSCGKSA-N 1 2 242.326 2.768 20 0 BFADLO CCC(F)(F)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000639602879 356514983 /nfs/dbraw/zinc/51/49/83/356514983.db2.gz APHAZNHFUAKDIO-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO O[C@H]1C[C@@H](C[N@@H+]2CCCCCc3ccccc32)C1 ZINC000420945847 192275299 /nfs/dbraw/zinc/27/52/99/192275299.db2.gz ZFNNYNUXRSNZGC-OTVXOJSOSA-N 1 2 245.366 2.990 20 0 BFADLO O[C@H]1C[C@@H](C[N@H+]2CCCCCc3ccccc32)C1 ZINC000420945847 192275302 /nfs/dbraw/zinc/27/53/02/192275302.db2.gz ZFNNYNUXRSNZGC-OTVXOJSOSA-N 1 2 245.366 2.990 20 0 BFADLO Cc1ccc2c(c1C)[N@@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420977763 192289166 /nfs/dbraw/zinc/28/91/66/192289166.db2.gz SETPEMNYVKBQIS-OTVXOJSOSA-N 1 2 245.366 2.827 20 0 BFADLO Cc1ccc2c(c1C)[N@H+](C[C@H]1C[C@@H](O)C1)CCC2 ZINC000420977763 192289168 /nfs/dbraw/zinc/28/91/68/192289168.db2.gz SETPEMNYVKBQIS-OTVXOJSOSA-N 1 2 245.366 2.827 20 0 BFADLO CC[C@H](C)CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000421125528 192312822 /nfs/dbraw/zinc/31/28/22/192312822.db2.gz SDJHSZDIWOHBAH-JTQLQIEISA-N 1 2 246.314 2.502 20 0 BFADLO Cc1cc(N2CC[C@H]2C2CC2)nc(C(C)C)[nH+]1 ZINC000336198709 134128237 /nfs/dbraw/zinc/12/82/37/134128237.db2.gz ORSMMBCSYSXAFP-LBPRGKRZSA-N 1 2 231.343 2.897 20 0 BFADLO CC[C@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000449849836 202045953 /nfs/dbraw/zinc/04/59/53/202045953.db2.gz OVZIQNOVWYVULX-GFCCVEGCSA-N 1 2 234.343 2.823 20 0 BFADLO CC[C@@H](C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000421105217 192312064 /nfs/dbraw/zinc/31/20/64/192312064.db2.gz BLANIDGVMFEGQB-SECBINFHSA-N 1 2 235.331 2.866 20 0 BFADLO CC[N@H+](Cc1nn(C)c(C)c1Cl)C(C)C ZINC000421321470 192317652 /nfs/dbraw/zinc/31/76/52/192317652.db2.gz CESMCYPKNXONDM-UHFFFAOYSA-N 1 2 229.755 2.612 20 0 BFADLO CC[N@@H+](Cc1nn(C)c(C)c1Cl)C(C)C ZINC000421321470 192317653 /nfs/dbraw/zinc/31/76/53/192317653.db2.gz CESMCYPKNXONDM-UHFFFAOYSA-N 1 2 229.755 2.612 20 0 BFADLO CCC(F)(F)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000639662148 356575163 /nfs/dbraw/zinc/57/51/63/356575163.db2.gz AXGHTVPBPPZWTO-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO CCC(F)(F)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000639662148 356575168 /nfs/dbraw/zinc/57/51/68/356575168.db2.gz AXGHTVPBPPZWTO-JTQLQIEISA-N 1 2 237.334 2.761 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000639664694 356579548 /nfs/dbraw/zinc/57/95/48/356579548.db2.gz UBVOBMAITPMAOX-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000639664694 356579549 /nfs/dbraw/zinc/57/95/49/356579549.db2.gz UBVOBMAITPMAOX-SNVBAGLBSA-N 1 2 235.318 2.779 20 0 BFADLO CC1(C)CCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301815146 356580448 /nfs/dbraw/zinc/58/04/48/356580448.db2.gz GNFKGMSUAPAOOI-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CC1(C)CCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301815146 356580449 /nfs/dbraw/zinc/58/04/49/356580449.db2.gz GNFKGMSUAPAOOI-UHFFFAOYSA-N 1 2 246.358 2.535 20 0 BFADLO CCN1[C@H](C)C[N@H+]([C@H](C)c2cccnc2)C[C@@H]1C ZINC000639743065 356634828 /nfs/dbraw/zinc/63/48/28/356634828.db2.gz GJDBFOPXOSGQKF-HZSPNIEDSA-N 1 2 247.386 2.557 20 0 BFADLO CCN1[C@H](C)C[N@@H+]([C@H](C)c2cccnc2)C[C@@H]1C ZINC000639743065 356634833 /nfs/dbraw/zinc/63/48/33/356634833.db2.gz GJDBFOPXOSGQKF-HZSPNIEDSA-N 1 2 247.386 2.557 20 0 BFADLO CC[N@H+](Cc1nnc(C(C)C)s1)C1CC1 ZINC000450253172 202108067 /nfs/dbraw/zinc/10/80/67/202108067.db2.gz CESLVZQGDGMZAL-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO CC[N@@H+](Cc1nnc(C(C)C)s1)C1CC1 ZINC000450253172 202108070 /nfs/dbraw/zinc/10/80/70/202108070.db2.gz CESLVZQGDGMZAL-UHFFFAOYSA-N 1 2 225.361 2.646 20 0 BFADLO COc1ccc[nH+]c1N1CCC(CCF)CC1 ZINC000630094984 363543038 /nfs/dbraw/zinc/54/30/38/363543038.db2.gz ONPAEQUYHWPMAP-UHFFFAOYSA-N 1 2 238.306 2.666 20 0 BFADLO CC(C)c1nnc(C[N@H+](C)CC2CC2)s1 ZINC000450272799 202116015 /nfs/dbraw/zinc/11/60/15/202116015.db2.gz YPVAFOOFVSZATG-UHFFFAOYSA-N 1 2 225.361 2.503 20 0 BFADLO CC(C)c1nnc(C[N@@H+](C)CC2CC2)s1 ZINC000450272799 202116019 /nfs/dbraw/zinc/11/60/19/202116019.db2.gz YPVAFOOFVSZATG-UHFFFAOYSA-N 1 2 225.361 2.503 20 0 BFADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccccn1 ZINC000389481608 356688163 /nfs/dbraw/zinc/68/81/63/356688163.db2.gz VVBOCCXMLJCDLB-RKDXNWHRSA-N 1 2 214.259 2.776 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1O ZINC000389479992 356686834 /nfs/dbraw/zinc/68/68/34/356686834.db2.gz DVPLVKAPOXZODG-QMMMGPOBSA-N 1 2 245.269 2.534 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450403565 202155870 /nfs/dbraw/zinc/15/58/70/202155870.db2.gz BIAFKHLWMBZMQZ-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450403565 202155873 /nfs/dbraw/zinc/15/58/73/202155873.db2.gz BIAFKHLWMBZMQZ-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1COCC[N@@H+]1Cc1cccc(C(C)=O)c1 ZINC000450406976 202156754 /nfs/dbraw/zinc/15/67/54/202156754.db2.gz HGSRGFYIHHCERS-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO CC[C@@H]1COCC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000450406976 202156758 /nfs/dbraw/zinc/15/67/58/202156758.db2.gz HGSRGFYIHHCERS-OAHLLOKOSA-N 1 2 247.338 2.500 20 0 BFADLO Cc1ccc(-c2cccc(N)[nH+]2)cc1F ZINC000131998487 538597279 /nfs/dbraw/zinc/59/72/79/538597279.db2.gz XDBHLRITIGFUIO-UHFFFAOYSA-N 1 2 202.232 2.778 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC[C@H]2CF)s1 ZINC000354524710 356740115 /nfs/dbraw/zinc/74/01/15/356740115.db2.gz YBGGOJVIPWPWES-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO CCc1cnc(C[N@H+]2CCC[C@H]2CF)s1 ZINC000354524710 356740118 /nfs/dbraw/zinc/74/01/18/356740118.db2.gz YBGGOJVIPWPWES-VIFPVBQESA-N 1 2 228.336 2.639 20 0 BFADLO CCCC[C@@H](C)[N@H+](C)Cc1csnn1 ZINC000356507278 356797596 /nfs/dbraw/zinc/79/75/96/356797596.db2.gz PWOZQQUMNBXQAX-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@@H](C)[N@@H+](C)Cc1csnn1 ZINC000356507278 356797601 /nfs/dbraw/zinc/79/76/01/356797601.db2.gz PWOZQQUMNBXQAX-SECBINFHSA-N 1 2 213.350 2.549 20 0 BFADLO CC[N@H+](Cc1ccncc1)[C@H](C)c1ncc(C)o1 ZINC000356989137 356811043 /nfs/dbraw/zinc/81/10/43/356811043.db2.gz RKPMKIWGTYSMJW-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC[N@@H+](Cc1ccncc1)[C@H](C)c1ncc(C)o1 ZINC000356989137 356811046 /nfs/dbraw/zinc/81/10/46/356811046.db2.gz RKPMKIWGTYSMJW-GFCCVEGCSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1nc(C)no1)[N@H+](C)Cc1ccccc1 ZINC000357482227 356834963 /nfs/dbraw/zinc/83/49/63/356834963.db2.gz LHTSQUVFRGFWBR-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CC[C@@H](c1nc(C)no1)[N@@H+](C)Cc1ccccc1 ZINC000357482227 356834967 /nfs/dbraw/zinc/83/49/67/356834967.db2.gz LHTSQUVFRGFWBR-ZDUSSCGKSA-N 1 2 245.326 2.961 20 0 BFADLO CO[C@H]1C[N@H+](Cc2cccc(C(C)C)c2)CCO1 ZINC000639839010 356832859 /nfs/dbraw/zinc/83/28/59/356832859.db2.gz YBQTWZXKNFNFND-OAHLLOKOSA-N 1 2 249.354 2.615 20 0 BFADLO CO[C@H]1C[N@@H+](Cc2cccc(C(C)C)c2)CCO1 ZINC000639839010 356832861 /nfs/dbraw/zinc/83/28/61/356832861.db2.gz YBQTWZXKNFNFND-OAHLLOKOSA-N 1 2 249.354 2.615 20 0 BFADLO CCCC[C@@H](C)N(C)c1cc[nH+]c(C)n1 ZINC000357829907 356848518 /nfs/dbraw/zinc/84/85/18/356848518.db2.gz SOPXTLZKVVFGQC-SNVBAGLBSA-N 1 2 207.321 2.800 20 0 BFADLO CC(C)CC[C@H](O)C[N@H+](CC(F)F)C(C)C ZINC000361293630 356925478 /nfs/dbraw/zinc/92/54/78/356925478.db2.gz CDLSILWUMMQKOB-NSHDSACASA-N 1 2 237.334 2.759 20 0 BFADLO CC(C)CC[C@H](O)C[N@@H+](CC(F)F)C(C)C ZINC000361293630 356925482 /nfs/dbraw/zinc/92/54/82/356925482.db2.gz CDLSILWUMMQKOB-NSHDSACASA-N 1 2 237.334 2.759 20 0 BFADLO CC(C)c1nc(NCCCC(C)(F)F)cc[nH+]1 ZINC000450551564 202195148 /nfs/dbraw/zinc/19/51/48/202195148.db2.gz FTQCEGFCYXMXLL-UHFFFAOYSA-N 1 2 243.301 2.869 20 0 BFADLO CC[C@H](CO)N(C)c1[nH+]ccc2ccc(F)cc21 ZINC000450585659 202204624 /nfs/dbraw/zinc/20/46/24/202204624.db2.gz ZFFQSRUNCBQBHN-GFCCVEGCSA-N 1 2 248.301 2.581 20 0 BFADLO Fc1ccc(C=CCNc2c[nH]c[nH+]2)cc1 ZINC000390752179 357115327 /nfs/dbraw/zinc/11/53/27/357115327.db2.gz DPWOCUUTTUNLQE-OWOJBTEDSA-N 1 2 217.247 2.674 20 0 BFADLO Cc1cccc(CNc2c[nH]c[nH+]2)c1C ZINC000389907730 357065918 /nfs/dbraw/zinc/06/59/18/357065918.db2.gz HVFXZCKDQNIEJV-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO Cc1ccc(CNc2c[nH]c[nH+]2)c(C)c1 ZINC000389959142 357072938 /nfs/dbraw/zinc/07/29/38/357072938.db2.gz VIHXZHRIKJDILG-UHFFFAOYSA-N 1 2 201.273 2.639 20 0 BFADLO OCCCCc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026462190 357135954 /nfs/dbraw/zinc/13/59/54/357135954.db2.gz FCXCUWGYENPDKK-UHFFFAOYSA-N 1 2 224.691 2.531 20 0 BFADLO CC(C)N(C(=O)CCc1c[nH+]c[nH]1)C1CCCC1 ZINC000355662851 538798462 /nfs/dbraw/zinc/79/84/62/538798462.db2.gz QPQOBHZRCHMWEN-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO CC(C)N(C(=O)CCc1c[nH]c[nH+]1)C1CCCC1 ZINC000355662851 538798470 /nfs/dbraw/zinc/79/84/70/538798470.db2.gz QPQOBHZRCHMWEN-UHFFFAOYSA-N 1 2 249.358 2.522 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628418827 357238819 /nfs/dbraw/zinc/23/88/19/357238819.db2.gz AQABXRSKYIBNQB-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628418827 357238823 /nfs/dbraw/zinc/23/88/23/357238823.db2.gz AQABXRSKYIBNQB-UHFFFAOYSA-N 1 2 229.279 2.809 20 0 BFADLO CC(C)(C)c1cnc(CNc2c[nH]c[nH+]2)s1 ZINC000393788047 357299008 /nfs/dbraw/zinc/29/90/08/357299008.db2.gz ZNJACEZZCXPNDP-UHFFFAOYSA-N 1 2 236.344 2.776 20 0 BFADLO CCc1cccc(F)c1C[NH+]1CC2(C1)CCCO2 ZINC000628427731 357259116 /nfs/dbraw/zinc/25/91/16/357259116.db2.gz WCRVJWODBLBKOE-UHFFFAOYSA-N 1 2 249.329 2.753 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000582494042 357315953 /nfs/dbraw/zinc/31/59/53/357315953.db2.gz MNVMUFSYDQLLSX-GMXVVIOVSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@@H](C)C2)o1 ZINC000582494042 357315954 /nfs/dbraw/zinc/31/59/54/357315954.db2.gz MNVMUFSYDQLLSX-GMXVVIOVSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H](c1ccco1)[N@H+](Cc1cnccn1)C1CC1 ZINC000582950166 357443700 /nfs/dbraw/zinc/44/37/00/357443700.db2.gz XPDDNUHPYBRCSX-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO C[C@H](c1ccco1)[N@@H+](Cc1cnccn1)C1CC1 ZINC000582950166 357443706 /nfs/dbraw/zinc/44/37/06/357443706.db2.gz XPDDNUHPYBRCSX-LLVKDONJSA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1cnccn1)C1CC1 ZINC000582950167 357444549 /nfs/dbraw/zinc/44/45/49/357444549.db2.gz XPDDNUHPYBRCSX-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1cnccn1)C1CC1 ZINC000582950167 357444552 /nfs/dbraw/zinc/44/45/52/357444552.db2.gz XPDDNUHPYBRCSX-NSHDSACASA-N 1 2 243.310 2.795 20 0 BFADLO COc1ccc(F)c(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000583034628 357465429 /nfs/dbraw/zinc/46/54/29/357465429.db2.gz JSPWLBHBOWURRP-UHFFFAOYSA-N 1 2 249.289 2.786 20 0 BFADLO CC(=O)CSCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000545178205 325183163 /nfs/dbraw/zinc/18/31/63/325183163.db2.gz FEQCTIILXHWQOZ-UHFFFAOYSA-N 1 2 234.324 2.694 20 0 BFADLO CC(=O)CSCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000545178205 325183167 /nfs/dbraw/zinc/18/31/67/325183167.db2.gz FEQCTIILXHWQOZ-UHFFFAOYSA-N 1 2 234.324 2.694 20 0 BFADLO c1c[nH+]c(CNc2cncc3ccccc32)[nH]1 ZINC000396433331 357490934 /nfs/dbraw/zinc/49/09/34/357490934.db2.gz WEVGOSONCJCXSH-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO Cc1cccc(CCNc2ccc(Cl)cn2)[nH+]1 ZINC000359835568 538858219 /nfs/dbraw/zinc/85/82/19/538858219.db2.gz WEIWVSYVSXTKTC-UHFFFAOYSA-N 1 2 247.729 2.515 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@@H]1CC[C@H](C)O1 ZINC000188591365 357541220 /nfs/dbraw/zinc/54/12/20/357541220.db2.gz IDNDXEGLEPSICD-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@@H]1CC[C@H](C)O1 ZINC000188591365 357541224 /nfs/dbraw/zinc/54/12/24/357541224.db2.gz IDNDXEGLEPSICD-UWVGGRQHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@H+](CC(F)F)C[C@H]1CC[C@H](C)O1 ZINC000188591384 357541578 /nfs/dbraw/zinc/54/15/78/357541578.db2.gz IDNDXEGLEPSICD-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)C[C@H]1CC[C@H](C)O1 ZINC000188591384 357541580 /nfs/dbraw/zinc/54/15/80/357541580.db2.gz IDNDXEGLEPSICD-VHSXEESVSA-N 1 2 221.291 2.531 20 0 BFADLO FC(F)(C[NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000231351118 357613784 /nfs/dbraw/zinc/61/37/84/357613784.db2.gz OXNCMAUXLZUFNN-LLVKDONJSA-N 1 2 243.322 2.874 20 0 BFADLO Cc1nc([C@H]2CCCN2Cc2c[nH+]c[nH]2)cs1 ZINC000189939943 357677163 /nfs/dbraw/zinc/67/71/63/357677163.db2.gz FRKRKQRMDUPEPQ-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nc([C@H]2CCCN2Cc2c[nH]c[nH+]2)cs1 ZINC000189939943 357677164 /nfs/dbraw/zinc/67/71/64/357677164.db2.gz FRKRKQRMDUPEPQ-GFCCVEGCSA-N 1 2 248.355 2.512 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1nccs1 ZINC000190778571 357731388 /nfs/dbraw/zinc/73/13/88/357731388.db2.gz XMACGEIIGAMGLL-UHFFFAOYSA-N 1 2 234.324 2.988 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ncccn1 ZINC000191856200 357810084 /nfs/dbraw/zinc/81/00/84/357810084.db2.gz NKGLKGPLGBQGGI-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncccn1 ZINC000191856200 357810086 /nfs/dbraw/zinc/81/00/86/357810086.db2.gz NKGLKGPLGBQGGI-LLVKDONJSA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ncccn1 ZINC000191856188 357810260 /nfs/dbraw/zinc/81/02/60/357810260.db2.gz NKGLKGPLGBQGGI-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncccn1 ZINC000191856188 357810267 /nfs/dbraw/zinc/81/02/67/357810267.db2.gz NKGLKGPLGBQGGI-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ncccn2)c1 ZINC000192156956 357825465 /nfs/dbraw/zinc/82/54/65/357825465.db2.gz XBPCUDRIFWJVLV-ZDUSSCGKSA-N 1 2 241.338 2.944 20 0 BFADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cocn2)o1 ZINC000397990993 357821811 /nfs/dbraw/zinc/82/18/11/357821811.db2.gz XDILRGFHMDCGJB-BXKDBHETSA-N 1 2 232.283 2.681 20 0 BFADLO COC1CC([NH2+]CC(F)(F)c2ccccc2)C1 ZINC000234679168 357822468 /nfs/dbraw/zinc/82/24/68/357822468.db2.gz LBORKASLNDFXNO-UHFFFAOYSA-N 1 2 241.281 2.545 20 0 BFADLO OCC[N@H+](CC(F)F)CC1CCCCCC1 ZINC000193017857 357864978 /nfs/dbraw/zinc/86/49/78/357864978.db2.gz GRCCBNKWTZOURS-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO OCC[N@@H+](CC(F)F)CC1CCCCCC1 ZINC000193017857 357864980 /nfs/dbraw/zinc/86/49/80/357864980.db2.gz GRCCBNKWTZOURS-UHFFFAOYSA-N 1 2 235.318 2.516 20 0 BFADLO CC1=CCC[C@H](C)[C@@H]1C[N@H+](CCO)CC(F)F ZINC000193023706 357865361 /nfs/dbraw/zinc/86/53/61/357865361.db2.gz QNTNBGSKRYNDDJ-NWDGAFQWSA-N 1 2 247.329 2.538 20 0 BFADLO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CCO)CC(F)F ZINC000193023706 357865364 /nfs/dbraw/zinc/86/53/64/357865364.db2.gz QNTNBGSKRYNDDJ-NWDGAFQWSA-N 1 2 247.329 2.538 20 0 BFADLO CSCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000193182450 357877380 /nfs/dbraw/zinc/87/73/80/357877380.db2.gz XKEALOXOIDVXAY-UHFFFAOYSA-N 1 2 238.356 2.698 20 0 BFADLO c1[nH]cc(NCc2ccc3ncccc3c2)[nH+]1 ZINC000583725141 357909857 /nfs/dbraw/zinc/90/98/57/357909857.db2.gz VXNLDSIMBZSYPF-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO CC(C)=CCC[N@@H+](C)Cc1cn[nH]c1C ZINC000639971144 358020888 /nfs/dbraw/zinc/02/08/88/358020888.db2.gz BWWRCQVVRYMCGG-UHFFFAOYSA-N 1 2 207.321 2.506 20 0 BFADLO CC(C)=CCC[N@H+](C)Cc1cn[nH]c1C ZINC000639971144 358020890 /nfs/dbraw/zinc/02/08/90/358020890.db2.gz BWWRCQVVRYMCGG-UHFFFAOYSA-N 1 2 207.321 2.506 20 0 BFADLO CCCc1nc(C[N@H+](C2CC2)C2CCCC2)no1 ZINC000103465997 358061166 /nfs/dbraw/zinc/06/11/66/358061166.db2.gz AADOGJLZVOYHAM-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO CCCc1nc(C[N@@H+](C2CC2)C2CCCC2)no1 ZINC000103465997 358061168 /nfs/dbraw/zinc/06/11/68/358061168.db2.gz AADOGJLZVOYHAM-UHFFFAOYSA-N 1 2 249.358 2.929 20 0 BFADLO CCCCC[NH2+]c1ccc(-n2cnnn2)c(C)c1 ZINC000037103975 358065230 /nfs/dbraw/zinc/06/52/30/358065230.db2.gz HAKYEKOQZMRKHX-UHFFFAOYSA-N 1 2 245.330 2.573 20 0 BFADLO COc1cccc2c1C[N@H+](Cc1cccn1C)C2 ZINC000628462209 358098412 /nfs/dbraw/zinc/09/84/12/358098412.db2.gz KNAUTWVTMNBKFQ-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO COc1cccc2c1C[N@@H+](Cc1cccn1C)C2 ZINC000628462209 358098414 /nfs/dbraw/zinc/09/84/14/358098414.db2.gz KNAUTWVTMNBKFQ-UHFFFAOYSA-N 1 2 242.322 2.550 20 0 BFADLO Cc1nnc(C[N@@H+]2CCc3sccc3[C@H]2C)o1 ZINC000053150918 358107502 /nfs/dbraw/zinc/10/75/02/358107502.db2.gz WXQDTVCRKQBSHN-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nnc(C[N@H+]2CCc3sccc3[C@H]2C)o1 ZINC000053150918 358107503 /nfs/dbraw/zinc/10/75/03/358107503.db2.gz WXQDTVCRKQBSHN-MRVPVSSYSA-N 1 2 249.339 2.559 20 0 BFADLO CCC(F)(F)C[NH+]1CCC(C)(F)CC1 ZINC000640073445 358172052 /nfs/dbraw/zinc/17/20/52/358172052.db2.gz MTENVKDQYWBNIL-UHFFFAOYSA-N 1 2 209.255 2.856 20 0 BFADLO Cc1nc(N2CC[C@@H]2C2CC2)c2c([nH+]1)CCCC2 ZINC000450642509 202222470 /nfs/dbraw/zinc/22/24/70/202222470.db2.gz IQWJEQGRLOIQKY-CQSZACIVSA-N 1 2 243.354 2.653 20 0 BFADLO O[C@@H]1CCC[C@@H]1[C@H]1CCCCN1c1cccc[nH+]1 ZINC000450685616 202233990 /nfs/dbraw/zinc/23/39/90/202233990.db2.gz STWKKGXHWGLVPA-MGPQQGTHSA-N 1 2 246.354 2.602 20 0 BFADLO CC[C@@H](NC(=O)CCCC(C)C)c1[nH]cc[nH+]1 ZINC000450669880 202231193 /nfs/dbraw/zinc/23/11/93/202231193.db2.gz CTQRENZCJHAODV-LLVKDONJSA-N 1 2 237.347 2.803 20 0 BFADLO CC[C@@H]1C[C@H]1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000450727269 202246250 /nfs/dbraw/zinc/24/62/50/202246250.db2.gz XMURBINOFAEMIG-PWSUYJOCSA-N 1 2 231.343 2.542 20 0 BFADLO Cc1cc(NCC(C)(C)C(C)C)nc[nH+]1 ZINC000218910248 134270506 /nfs/dbraw/zinc/27/05/06/134270506.db2.gz REALENZMQBRCFJ-UHFFFAOYSA-N 1 2 207.321 2.879 20 0 BFADLO Cc1cc(N(C)C2CCC2)nc(C2CC2)[nH+]1 ZINC000078447436 491129365 /nfs/dbraw/zinc/12/93/65/491129365.db2.gz FIAGEWCAYWVLJZ-UHFFFAOYSA-N 1 2 217.316 2.651 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C2CCC2)n1 ZINC000351240341 366457504 /nfs/dbraw/zinc/45/75/04/366457504.db2.gz MZKHQHJBJYKJST-UHFFFAOYSA-N 1 2 229.283 2.631 20 0 BFADLO Cc1[nH+]cccc1Cc1noc([C@@H](C)C2CC2)n1 ZINC000351228511 366455257 /nfs/dbraw/zinc/45/52/57/366455257.db2.gz GVRMOERXXXVCPB-VIFPVBQESA-N 1 2 243.310 2.877 20 0 BFADLO CC[C@@H](C)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029907989 358446365 /nfs/dbraw/zinc/44/63/65/358446365.db2.gz FOCDGWSUARFFDV-LLVKDONJSA-N 1 2 243.310 2.857 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(C[C@H]2C[C@@H]2C)n1 ZINC000351228551 366456140 /nfs/dbraw/zinc/45/61/40/366456140.db2.gz GXQDVXPTFOCFLZ-JOYOIKCWSA-N 1 2 243.310 2.562 20 0 BFADLO Cc1[nH+]cccc1Cc1noc(CC2(C)CC2)n1 ZINC000351241552 366457598 /nfs/dbraw/zinc/45/75/98/366457598.db2.gz ZGMJSVLTBWIRHK-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(=O)OC)c1ccc(C)cc1 ZINC000042304431 358520448 /nfs/dbraw/zinc/52/04/48/358520448.db2.gz YITPUHRSUPJSAB-DGCLKSJQSA-N 1 2 235.327 2.597 20 0 BFADLO CC[C@@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000389280590 358420271 /nfs/dbraw/zinc/42/02/71/358420271.db2.gz RMFPWLMCGKHMRM-APPZFPTMSA-N 1 2 209.255 2.963 20 0 BFADLO CCOC(=O)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000049573398 358694810 /nfs/dbraw/zinc/69/48/10/358694810.db2.gz SLLGPXVTJXPWKM-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CCOC(=O)C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000049573398 358694812 /nfs/dbraw/zinc/69/48/12/358694812.db2.gz SLLGPXVTJXPWKM-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CC(C)c1nc(N[C@H](C)C2CCOCC2)cc[nH+]1 ZINC000131892874 358698530 /nfs/dbraw/zinc/69/85/30/358698530.db2.gz JOKYGGJJRLFVFU-LLVKDONJSA-N 1 2 249.358 2.827 20 0 BFADLO COC(=O)CCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000049987446 358707747 /nfs/dbraw/zinc/70/77/47/358707747.db2.gz LYBMFSSQLAAAHI-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO COC(=O)CCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000049987446 358707750 /nfs/dbraw/zinc/70/77/50/358707750.db2.gz LYBMFSSQLAAAHI-UHFFFAOYSA-N 1 2 235.327 2.693 20 0 BFADLO COC(=O)[C@H]([NH2+]CC(C)(C)C)c1ccccc1 ZINC000050507536 358733368 /nfs/dbraw/zinc/73/33/68/358733368.db2.gz AOQVJEFOEINVKC-GFCCVEGCSA-N 1 2 235.327 2.536 20 0 BFADLO CCOCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000135118702 358821043 /nfs/dbraw/zinc/82/10/43/358821043.db2.gz PAONFZBIYNDXGF-UHFFFAOYSA-N 1 2 240.253 2.741 20 0 BFADLO Clc1sccc1C[NH2+]Cc1cocn1 ZINC000308517956 491136808 /nfs/dbraw/zinc/13/68/08/491136808.db2.gz PBHIPGJEDPWJFL-UHFFFAOYSA-N 1 2 228.704 2.679 20 0 BFADLO Cn1c[nH+]cc1CNc1c(F)cccc1Cl ZINC000135244727 358827290 /nfs/dbraw/zinc/82/72/90/358827290.db2.gz ZMTNBLGUMTXMDS-UHFFFAOYSA-N 1 2 239.681 2.825 20 0 BFADLO COc1cccc(SCc2cc[nH+]c(N)c2)c1 ZINC000052755987 358791354 /nfs/dbraw/zinc/79/13/54/358791354.db2.gz KAXZCNBDJWJVPJ-UHFFFAOYSA-N 1 2 246.335 2.965 20 0 BFADLO Cc1ccccc1[C@@H](C)[NH2+]Cc1ncccn1 ZINC000054459554 358863175 /nfs/dbraw/zinc/86/31/75/358863175.db2.gz CMOIDDTVVJOKNU-GFCCVEGCSA-N 1 2 227.311 2.636 20 0 BFADLO CC(C)CC[N@H+](C)Cc1noc(C(C)C)n1 ZINC000053611570 358876395 /nfs/dbraw/zinc/87/63/95/358876395.db2.gz GBMPKOFIPRPXCG-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO CC(C)CC[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000053611570 358876398 /nfs/dbraw/zinc/87/63/98/358876398.db2.gz GBMPKOFIPRPXCG-UHFFFAOYSA-N 1 2 225.336 2.671 20 0 BFADLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000055900591 358892452 /nfs/dbraw/zinc/89/24/52/358892452.db2.gz GOUQXMIBPIJFCG-ZDUSSCGKSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000055900591 358892454 /nfs/dbraw/zinc/89/24/54/358892454.db2.gz GOUQXMIBPIJFCG-ZDUSSCGKSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000055900590 358893183 /nfs/dbraw/zinc/89/31/83/358893183.db2.gz GOUQXMIBPIJFCG-CYBMUJFWSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)Oc1ccccc1C[N@H+]1CCO[C@H](C)C1 ZINC000055900590 358893188 /nfs/dbraw/zinc/89/31/88/358893188.db2.gz GOUQXMIBPIJFCG-CYBMUJFWSA-N 1 2 249.354 2.695 20 0 BFADLO CC(C)CCc1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000351412733 366523230 /nfs/dbraw/zinc/52/32/30/366523230.db2.gz VZKVRNCENVVZPE-NSHDSACASA-N 1 2 248.330 2.658 20 0 BFADLO C(C[N@@H+]1OC2CCC1CC2)[C@H]1CCCCO1 ZINC000640229959 358941048 /nfs/dbraw/zinc/94/10/48/358941048.db2.gz HJIBISQBSQOKMZ-OTTFEQOBSA-N 1 2 225.332 2.504 20 0 BFADLO C(C[N@H+]1OC2CCC1CC2)[C@H]1CCCCO1 ZINC000640229959 358941051 /nfs/dbraw/zinc/94/10/51/358941051.db2.gz HJIBISQBSQOKMZ-OTTFEQOBSA-N 1 2 225.332 2.504 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(C)n1 ZINC000069533547 359029710 /nfs/dbraw/zinc/02/97/10/359029710.db2.gz IOYUYEVGPRUWNI-UHFFFAOYSA-N 1 2 241.294 2.654 20 0 BFADLO Cc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070007180 359038074 /nfs/dbraw/zinc/03/80/74/359038074.db2.gz LYIBIFUYGFGSOD-NSHDSACASA-N 1 2 215.300 2.902 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403414263 358981835 /nfs/dbraw/zinc/98/18/35/358981835.db2.gz VBDJTDWKIVWWCX-GARJFASQSA-N 1 2 218.300 2.691 20 0 BFADLO COc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000072672341 359088564 /nfs/dbraw/zinc/08/85/64/359088564.db2.gz FZLDVZZQERTRIL-UHFFFAOYSA-N 1 2 242.278 2.651 20 0 BFADLO Cc1csc(Cc2cn3ccccc3[nH+]2)n1 ZINC000073449053 359101960 /nfs/dbraw/zinc/10/19/60/359101960.db2.gz LJGUIKLXWRKKEP-UHFFFAOYSA-N 1 2 229.308 2.690 20 0 BFADLO Cc1cc2[nH+]cn(Cc3ccon3)c2cc1C ZINC000073529761 359103005 /nfs/dbraw/zinc/10/30/05/359103005.db2.gz ZREFOFXBXWHDHW-UHFFFAOYSA-N 1 2 227.267 2.689 20 0 BFADLO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cnccn1 ZINC000070479715 359057138 /nfs/dbraw/zinc/05/71/38/359057138.db2.gz VUNOYBMRLPFRQB-SECBINFHSA-N 1 2 249.264 2.606 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1nccs1 ZINC000070717631 359062875 /nfs/dbraw/zinc/06/28/75/359062875.db2.gz NRDMZGWIMSKFGM-UWVGGRQHSA-N 1 2 233.340 2.950 20 0 BFADLO CCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829729 359130750 /nfs/dbraw/zinc/13/07/50/359130750.db2.gz BDYVWYVOUGAEJT-UHFFFAOYSA-N 1 2 229.283 2.815 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1ccc(F)cc1F ZINC000248132700 359255722 /nfs/dbraw/zinc/25/57/22/359255722.db2.gz QTVRMWABMSFSMH-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1F ZINC000248132700 359255726 /nfs/dbraw/zinc/25/57/26/359255726.db2.gz QTVRMWABMSFSMH-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)[C@H]1c1ccccc1 ZINC000248369004 359271575 /nfs/dbraw/zinc/27/15/75/359271575.db2.gz VUNWZNZZJBERDW-SMDDNHRTSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)[C@H]1c1ccccc1 ZINC000248369004 359271578 /nfs/dbraw/zinc/27/15/78/359271578.db2.gz VUNWZNZZJBERDW-SMDDNHRTSA-N 1 2 227.311 2.603 20 0 BFADLO CC(C)=CC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000006487789 359454791 /nfs/dbraw/zinc/45/47/91/359454791.db2.gz UQQZLICQYDBFRY-GFCCVEGCSA-N 1 2 244.338 2.795 20 0 BFADLO CC(C)=CC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000006487789 359454796 /nfs/dbraw/zinc/45/47/96/359454796.db2.gz UQQZLICQYDBFRY-GFCCVEGCSA-N 1 2 244.338 2.795 20 0 BFADLO Cc1cc(N2C[C@H](C(C)C)[C@H]2C(C)C)nc[nH+]1 ZINC000450802581 202269739 /nfs/dbraw/zinc/26/97/39/202269739.db2.gz ICFXAXWFRHPTOB-TZMCWYRMSA-N 1 2 233.359 2.902 20 0 BFADLO COCC1(CNc2cccc[nH+]2)CCCC1 ZINC000450919747 202309466 /nfs/dbraw/zinc/30/94/66/202309466.db2.gz PYZUNTSISAHOCY-UHFFFAOYSA-N 1 2 220.316 2.700 20 0 BFADLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451116312 202354008 /nfs/dbraw/zinc/35/40/08/202354008.db2.gz RFPQEXMNWJWZSX-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO CCCC[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451116312 202354010 /nfs/dbraw/zinc/35/40/10/202354010.db2.gz RFPQEXMNWJWZSX-WCQYABFASA-N 1 2 245.338 2.542 20 0 BFADLO C/C=C(/C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000578606777 366605903 /nfs/dbraw/zinc/60/59/03/366605903.db2.gz LOFRBXATESZRBV-WMZJFQQLSA-N 1 2 243.310 2.981 20 0 BFADLO C[C@@H](O)CCC[N@@H+]1CCCCc2ccccc21 ZINC000088334705 359946720 /nfs/dbraw/zinc/94/67/20/359946720.db2.gz KDAOSEFJCYBRLQ-CYBMUJFWSA-N 1 2 233.355 2.990 20 0 BFADLO C[C@@H](O)CCC[N@H+]1CCCCc2ccccc21 ZINC000088334705 359946724 /nfs/dbraw/zinc/94/67/24/359946724.db2.gz KDAOSEFJCYBRLQ-CYBMUJFWSA-N 1 2 233.355 2.990 20 0 BFADLO OCCCCC[N@@H+]1CCCCc2ccccc21 ZINC000088334444 359947504 /nfs/dbraw/zinc/94/75/04/359947504.db2.gz XOXWOIGEZPCXFC-UHFFFAOYSA-N 1 2 233.355 2.992 20 0 BFADLO OCCCCC[N@H+]1CCCCc2ccccc21 ZINC000088334444 359947506 /nfs/dbraw/zinc/94/75/06/359947506.db2.gz XOXWOIGEZPCXFC-UHFFFAOYSA-N 1 2 233.355 2.992 20 0 BFADLO CCOc1ccccc1NCc1c[nH+]cn1CC ZINC000090169681 360060102 /nfs/dbraw/zinc/06/01/02/360060102.db2.gz AWVNQGLYVGCHMC-UHFFFAOYSA-N 1 2 245.326 2.914 20 0 BFADLO CCn1c[nH+]cc1CNc1ccccc1OC ZINC000090169669 360060199 /nfs/dbraw/zinc/06/01/99/360060199.db2.gz JFCCVUGKBVWOEY-UHFFFAOYSA-N 1 2 231.299 2.524 20 0 BFADLO CC1(C)C[N@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000091917256 360135120 /nfs/dbraw/zinc/13/51/20/360135120.db2.gz CZDAHCLNHDTLSZ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)C[N@@H+](Cc2cc(F)cc(F)c2)CCO1 ZINC000091917256 360135121 /nfs/dbraw/zinc/13/51/21/360135121.db2.gz CZDAHCLNHDTLSZ-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H](CNc1ccc(CO)c[nH+]1)C(C)(C)C ZINC000309365663 491147574 /nfs/dbraw/zinc/14/75/74/491147574.db2.gz PLFBTAMYZUVMAY-JTQLQIEISA-N 1 2 222.332 2.668 20 0 BFADLO CC(C)[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000092401561 360169647 /nfs/dbraw/zinc/16/96/47/360169647.db2.gz JVQXRNCKWOPRQO-ZDUSSCGKSA-N 1 2 230.311 2.664 20 0 BFADLO Cc1csc([C@@H](C)N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000309393040 491147897 /nfs/dbraw/zinc/14/78/97/491147897.db2.gz GEPZPJHJZHGLJH-RKDXNWHRSA-N 1 2 236.344 2.586 20 0 BFADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)n1 ZINC000309393040 491147898 /nfs/dbraw/zinc/14/78/98/491147898.db2.gz GEPZPJHJZHGLJH-RKDXNWHRSA-N 1 2 236.344 2.586 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc[nH]n2)[C@H](c2ccco2)C1 ZINC000093811992 360280228 /nfs/dbraw/zinc/28/02/28/360280228.db2.gz SVIRIGYKORXGLH-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc[nH]n2)[C@H](c2ccco2)C1 ZINC000093811992 360280229 /nfs/dbraw/zinc/28/02/29/360280229.db2.gz SVIRIGYKORXGLH-AAEUAGOBSA-N 1 2 245.326 2.976 20 0 BFADLO COc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000096474486 360348649 /nfs/dbraw/zinc/34/86/49/360348649.db2.gz UXYSTYWXYIAAIW-NSHDSACASA-N 1 2 243.310 2.967 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)n1 ZINC000094837569 360322737 /nfs/dbraw/zinc/32/27/37/360322737.db2.gz LPHYREIVUJEIEB-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO Cn1ccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000309472463 491149316 /nfs/dbraw/zinc/14/93/16/491149316.db2.gz AWZJDLHZVQHADS-UHFFFAOYSA-N 1 2 228.286 2.693 20 0 BFADLO c1ccc(N[C@H](C2CCC2)[C@H]2CCCO2)[nH+]c1 ZINC000631523702 360560920 /nfs/dbraw/zinc/56/09/20/360560920.db2.gz OBXZHNQOCHAWDN-TZMCWYRMSA-N 1 2 232.327 2.841 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccccn1 ZINC000309528372 491150015 /nfs/dbraw/zinc/15/00/15/491150015.db2.gz CXMRWZRGMVHCBH-KOLCDFICSA-N 1 2 226.270 2.920 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2cc(C)on2)o1 ZINC000061760844 360663455 /nfs/dbraw/zinc/66/34/55/360663455.db2.gz OXTGHZJQCYNUHU-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2cc(C)on2)o1 ZINC000061760844 360663459 /nfs/dbraw/zinc/66/34/59/360663459.db2.gz OXTGHZJQCYNUHU-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(N)nc(S[C@@H]2CCCC[C@@H]2C)[nH+]1 ZINC000629103336 360878382 /nfs/dbraw/zinc/87/83/82/360878382.db2.gz DOGCRIUSNSWAJC-WCBMZHEXSA-N 1 2 237.372 2.868 20 0 BFADLO Cc1cc(N)nc(SCC2CC(C)(C)C2)[nH+]1 ZINC000629103401 360878993 /nfs/dbraw/zinc/87/89/93/360878993.db2.gz GYAFVJZYWGVDNK-UHFFFAOYSA-N 1 2 237.372 2.726 20 0 BFADLO C[C@@H]1C[C@@H]1COc1cccc(-n2cc[nH+]c2)c1 ZINC000629357902 361002315 /nfs/dbraw/zinc/00/23/15/361002315.db2.gz JFLFNSCEBLJQSO-VXGBXAGGSA-N 1 2 228.295 2.907 20 0 BFADLO CCn1nccc1CNc1ccc([NH2+]C)cc1 ZINC000629389965 361036879 /nfs/dbraw/zinc/03/68/79/361036879.db2.gz YZUFYJUHXRBZRC-UHFFFAOYSA-N 1 2 230.315 2.557 20 0 BFADLO C[C@H]1C[C@H]1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309745173 491155851 /nfs/dbraw/zinc/15/58/51/491155851.db2.gz FJMPBTQGFBGIRC-UWVGGRQHSA-N 1 2 219.332 2.842 20 0 BFADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccco2)cn1 ZINC000428482380 201025319 /nfs/dbraw/zinc/02/53/19/201025319.db2.gz HDCJPYZSDVGERD-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccco2)cn1 ZINC000428482380 201025320 /nfs/dbraw/zinc/02/53/20/201025320.db2.gz HDCJPYZSDVGERD-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO CCc1cc(NCC2(O)CCCCCC2)nc[nH+]1 ZINC000079618079 370681299 /nfs/dbraw/zinc/68/12/99/370681299.db2.gz RQKHHVZTSSZSOR-UHFFFAOYSA-N 1 2 249.358 2.536 20 0 BFADLO Cc1cscc1C[NH2+][C@H](C)c1cn[nH]c1C ZINC000309798174 491156719 /nfs/dbraw/zinc/15/67/19/491156719.db2.gz QPXPNFPORYMAMW-SECBINFHSA-N 1 2 235.356 2.939 20 0 BFADLO COc1cncc(C[NH2+]C(C)(C)C(F)F)c1C ZINC000631124153 361392969 /nfs/dbraw/zinc/39/29/69/361392969.db2.gz HGPZJFSPFOWTNJ-UHFFFAOYSA-N 1 2 244.285 2.532 20 0 BFADLO C[C@@H]1C[C@H](C)CN1c1[nH+]c2ccc(F)cc2n1C ZINC000431427979 192918093 /nfs/dbraw/zinc/91/80/93/192918093.db2.gz RRNNCFYOAQUXEZ-VHSXEESVSA-N 1 2 247.317 2.947 20 0 BFADLO CCc1nnc([C@H](C)[N@H+](C)Cc2occc2C)o1 ZINC000429385177 201106873 /nfs/dbraw/zinc/10/68/73/201106873.db2.gz HGPQAVJGKOZVJM-JTQLQIEISA-N 1 2 249.314 2.726 20 0 BFADLO CCc1nnc([C@H](C)[N@@H+](C)Cc2occc2C)o1 ZINC000429385177 201106875 /nfs/dbraw/zinc/10/68/75/201106875.db2.gz HGPQAVJGKOZVJM-JTQLQIEISA-N 1 2 249.314 2.726 20 0 BFADLO CC[C@@H](C)CCC(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000579365192 366771092 /nfs/dbraw/zinc/77/10/92/366771092.db2.gz QWXYZYXDIPCZEL-SNVBAGLBSA-N 1 2 237.347 2.587 20 0 BFADLO C[C@H]1CC[C@H]([N@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562321 201114882 /nfs/dbraw/zinc/11/48/82/201114882.db2.gz VQQGIKKMMSJWKV-ONGXEEELSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@H]1CC[C@H]([N@@H+](C)Cc2noc(C3CC3)n2)C1 ZINC000429562321 201114886 /nfs/dbraw/zinc/11/48/86/201114886.db2.gz VQQGIKKMMSJWKV-ONGXEEELSA-N 1 2 235.331 2.567 20 0 BFADLO CCCOc1ccc(C[NH+]2CC(OCC)C2)cc1 ZINC000579445248 366801606 /nfs/dbraw/zinc/80/16/06/366801606.db2.gz GDRUWIBGFQUDFP-UHFFFAOYSA-N 1 2 249.354 2.696 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C(C)(C)CC(F)(F)F ZINC000309876353 491157780 /nfs/dbraw/zinc/15/77/80/491157780.db2.gz SUCZVITWFPYFMR-UHFFFAOYSA-N 1 2 235.253 2.539 20 0 BFADLO Cc1cc(CNc2c[nH+]cc3c2CCCC3)on1 ZINC000631171939 361495389 /nfs/dbraw/zinc/49/53/89/361495389.db2.gz LTIBIBZJZWFPQC-UHFFFAOYSA-N 1 2 243.310 2.869 20 0 BFADLO CC[C@@H](C)[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000433414097 201186396 /nfs/dbraw/zinc/18/63/96/201186396.db2.gz YJRUIRPZTDRPEV-GHMZBOCLSA-N 1 2 229.327 2.898 20 0 BFADLO CC1=C[C@@H](C)C[N@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000433206654 201168936 /nfs/dbraw/zinc/16/89/36/201168936.db2.gz IEXYYADKFOKWCQ-SNVBAGLBSA-N 1 2 248.374 2.500 20 0 BFADLO CC1=C[C@@H](C)C[N@@H+](Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000433206654 201168939 /nfs/dbraw/zinc/16/89/39/201168939.db2.gz IEXYYADKFOKWCQ-SNVBAGLBSA-N 1 2 248.374 2.500 20 0 BFADLO CC1(C)C[C@H]1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000434103998 201205684 /nfs/dbraw/zinc/20/56/84/201205684.db2.gz LSOBPGDCARCNBR-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CC1(C)C[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000434103998 201205688 /nfs/dbraw/zinc/20/56/88/201205688.db2.gz LSOBPGDCARCNBR-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO CC[C@H](CO)Nc1ccc(-c2ccccc2)c[nH+]1 ZINC000629690490 361615359 /nfs/dbraw/zinc/61/53/59/361615359.db2.gz KDGVZMQNUGMWDG-CQSZACIVSA-N 1 2 242.322 2.931 20 0 BFADLO COCCCOc1ccc(-c2c[nH]c(C)[nH+]2)cc1 ZINC000629749831 361683226 /nfs/dbraw/zinc/68/32/26/361683226.db2.gz YEMBFHWAWIGTTE-UHFFFAOYSA-N 1 2 246.310 2.800 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000436461861 201327021 /nfs/dbraw/zinc/32/70/21/201327021.db2.gz BBSRLBBNBJOKLP-WDEREUQCSA-N 1 2 227.311 2.652 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437580940 201356561 /nfs/dbraw/zinc/35/65/61/201356561.db2.gz RGTQVWQNXHEZRW-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1cc2c(cccc2F)[nH]1 ZINC000437580940 201356564 /nfs/dbraw/zinc/35/65/64/201356564.db2.gz RGTQVWQNXHEZRW-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO CCCCc1cc(N[C@H](C)[C@@H](C)OC)nc[nH+]1 ZINC000631278717 364044153 /nfs/dbraw/zinc/04/41/53/364044153.db2.gz LVZKYGKOAJDRHF-GHMZBOCLSA-N 1 2 237.347 2.655 20 0 BFADLO CCC[C@@H]1C[C@@H]1Nc1nc(C)[nH+]cc1C ZINC000579494888 366833413 /nfs/dbraw/zinc/83/34/13/366833413.db2.gz DYSXAZGLSCHRGE-MNOVXSKESA-N 1 2 205.305 2.694 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC000573338281 364803251 /nfs/dbraw/zinc/80/32/51/364803251.db2.gz IYFDYBYYNZBAKW-GHMZBOCLSA-N 1 2 233.359 2.966 20 0 BFADLO Cc1cc(N2CCc3cccc(F)c32)nc(C)[nH+]1 ZINC000436462231 541382560 /nfs/dbraw/zinc/38/25/60/541382560.db2.gz RHGQJAUPZAJGKP-UHFFFAOYSA-N 1 2 243.285 2.927 20 0 BFADLO CC[C@@]1(C)C[C@@H]1C(=O)NC(C)(C)c1[nH]cc(C)[nH+]1 ZINC000573615889 364875282 /nfs/dbraw/zinc/87/52/82/364875282.db2.gz DHAXTYIGTAHHMU-YGRLFVJLSA-N 1 2 249.358 2.506 20 0 BFADLO COc1cc(F)cc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000574212115 365012658 /nfs/dbraw/zinc/01/26/58/365012658.db2.gz ILCUIYKSQSETQK-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(F)cc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000574212115 365012662 /nfs/dbraw/zinc/01/26/62/365012662.db2.gz ILCUIYKSQSETQK-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1cc(F)ccc1C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000168873389 365021590 /nfs/dbraw/zinc/02/15/90/365021590.db2.gz UOOAUFRCDRZFKL-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO Cc1cc(F)ccc1C[N@H+]1CCC(=O)[C@H](C)C1 ZINC000168873389 365021597 /nfs/dbraw/zinc/02/15/97/365021597.db2.gz UOOAUFRCDRZFKL-LLVKDONJSA-N 1 2 235.302 2.545 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1[nH]cc[nH+]1 ZINC000442797867 192993116 /nfs/dbraw/zinc/99/31/16/192993116.db2.gz HZZCVBQEUSRDSB-MNOVXSKESA-N 1 2 249.358 2.803 20 0 BFADLO CN(Cc1ccco1)c1cc[nH+]c2ccncc21 ZINC000444103069 193034771 /nfs/dbraw/zinc/03/47/71/193034771.db2.gz ADTZDNUHOCNLEL-UHFFFAOYSA-N 1 2 239.278 2.859 20 0 BFADLO COc1cc(C)ccc1C[NH2+]CC(C)(F)F ZINC000580515738 365234054 /nfs/dbraw/zinc/23/40/54/365234054.db2.gz SOELMAWFJLVWNY-UHFFFAOYSA-N 1 2 229.270 2.748 20 0 BFADLO C[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)[C@@H]1C ZINC000172860713 365383718 /nfs/dbraw/zinc/38/37/18/365383718.db2.gz LNDOHDYTWFFICS-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO C[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)[C@@H]1C ZINC000172860713 365383726 /nfs/dbraw/zinc/38/37/26/365383726.db2.gz LNDOHDYTWFFICS-NXEZZACHSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC000575882462 365405086 /nfs/dbraw/zinc/40/50/86/365405086.db2.gz SJRUBDHFGJZXJG-BETUJISGSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1ccc(CNc2c[nH+]ccc2C)cn1 ZINC000154814470 541477116 /nfs/dbraw/zinc/47/71/16/541477116.db2.gz DVIFEOQEXTVSOU-UHFFFAOYSA-N 1 2 213.284 2.706 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000180033044 541505869 /nfs/dbraw/zinc/50/58/69/541505869.db2.gz UEBDFJUYNPKOMH-NSHDSACASA-N 1 2 229.327 2.877 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccc[nH]2)s1 ZINC000183115730 366978758 /nfs/dbraw/zinc/97/87/58/366978758.db2.gz DWUNOFIOOKAEFJ-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccc[nH]2)s1 ZINC000183115730 366978762 /nfs/dbraw/zinc/97/87/62/366978762.db2.gz DWUNOFIOOKAEFJ-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO Fc1ccc(CNc2c[nH]c[nH+]2)c2ncccc12 ZINC000580020681 367128096 /nfs/dbraw/zinc/12/80/96/367128096.db2.gz XUVYGZFDNBJWIN-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO c1[nH]cc(N[C@@H]2CCC[C@@H](c3cccnc3)C2)[nH+]1 ZINC000580806070 367170481 /nfs/dbraw/zinc/17/04/81/367170481.db2.gz UZAAAFMHGNJXLP-DGCLKSJQSA-N 1 2 242.326 2.943 20 0 BFADLO CSc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cn1 ZINC000581022910 367239762 /nfs/dbraw/zinc/23/97/62/367239762.db2.gz OHJUDANTEDONOG-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO C[C@H]1CC[C@H](CC(=O)NC(C)(C)c2[nH]cc[nH+]2)C1 ZINC000581434538 367469730 /nfs/dbraw/zinc/46/97/30/367469730.db2.gz CVQMIXXZCRIXDR-QWRGUYRKSA-N 1 2 249.358 2.587 20 0 BFADLO CO[C@H](C)CN(C)c1[nH+]ccc2cc(F)ccc21 ZINC000581485427 367516318 /nfs/dbraw/zinc/51/63/18/367516318.db2.gz SVDBJSHWEMVFBJ-SNVBAGLBSA-N 1 2 248.301 2.845 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000581737203 367799920 /nfs/dbraw/zinc/79/99/20/367799920.db2.gz ZXJNYXRUFPQCPQ-AXFHLTTASA-N 1 2 219.332 2.574 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)CC2=CCCCC2)n1 ZINC000566419021 326043220 /nfs/dbraw/zinc/04/32/20/326043220.db2.gz NGBALMGTPKHXQS-SNVBAGLBSA-N 1 2 235.331 2.871 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)CC2=CCCCC2)n1 ZINC000566419021 326043223 /nfs/dbraw/zinc/04/32/23/326043223.db2.gz NGBALMGTPKHXQS-SNVBAGLBSA-N 1 2 235.331 2.871 20 0 BFADLO CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000042145510 368300209 /nfs/dbraw/zinc/30/02/09/368300209.db2.gz QCUSPZVRSDMCAV-SNVBAGLBSA-N 1 2 241.766 2.696 20 0 BFADLO CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000042145510 368300212 /nfs/dbraw/zinc/30/02/12/368300212.db2.gz QCUSPZVRSDMCAV-SNVBAGLBSA-N 1 2 241.766 2.696 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000046773885 368450031 /nfs/dbraw/zinc/45/00/31/368450031.db2.gz WOXXNVDTHDZELK-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000046773885 368450037 /nfs/dbraw/zinc/45/00/37/368450037.db2.gz WOXXNVDTHDZELK-SNVBAGLBSA-N 1 2 225.719 2.561 20 0 BFADLO O=C(OC1CCCCC1)c1ccc2[nH+]ccn2c1 ZINC000057757669 368499227 /nfs/dbraw/zinc/49/92/27/368499227.db2.gz XSTMHBKBDUZMPT-UHFFFAOYSA-N 1 2 244.294 2.824 20 0 BFADLO CSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000059352213 368531724 /nfs/dbraw/zinc/53/17/24/368531724.db2.gz GWOAXOZLYGRUAV-UHFFFAOYSA-N 1 2 212.705 2.851 20 0 BFADLO CCC[N@H+](Cc1nnc(C)o1)Cc1ccccc1 ZINC000061780539 368570773 /nfs/dbraw/zinc/57/07/73/368570773.db2.gz LMHXTPFPTNRIRY-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO CCC[N@@H+](Cc1nnc(C)o1)Cc1ccccc1 ZINC000061780539 368570777 /nfs/dbraw/zinc/57/07/77/368570777.db2.gz LMHXTPFPTNRIRY-UHFFFAOYSA-N 1 2 245.326 2.790 20 0 BFADLO CCc1nc(C[N@H+](C)CCOC(C)C)cs1 ZINC000063593623 368589566 /nfs/dbraw/zinc/58/95/66/368589566.db2.gz BFGIKJKRGLCUBN-UHFFFAOYSA-N 1 2 242.388 2.562 20 0 BFADLO CCc1nc(C[N@@H+](C)CCOC(C)C)cs1 ZINC000063593623 368589574 /nfs/dbraw/zinc/58/95/74/368589574.db2.gz BFGIKJKRGLCUBN-UHFFFAOYSA-N 1 2 242.388 2.562 20 0 BFADLO COc1cccc(SCc2[nH+]ccn2C)c1 ZINC000064653394 368611835 /nfs/dbraw/zinc/61/18/35/368611835.db2.gz ZXNFKGSUHDIDAR-UHFFFAOYSA-N 1 2 234.324 2.721 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccoc2C)cs1 ZINC000067217764 368681416 /nfs/dbraw/zinc/68/14/16/368681416.db2.gz YGPLOTSHMYRCPA-UHFFFAOYSA-N 1 2 236.340 2.897 20 0 BFADLO Cc1noc([C@@H](C)[N@H+](C)Cc2cccs2)n1 ZINC000074071278 368828653 /nfs/dbraw/zinc/82/86/53/368828653.db2.gz WKGONRJWROSVTO-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cccs2)n1 ZINC000074071278 368828658 /nfs/dbraw/zinc/82/86/58/368828658.db2.gz WKGONRJWROSVTO-MRVPVSSYSA-N 1 2 237.328 2.633 20 0 BFADLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)n1 ZINC000074072271 368828680 /nfs/dbraw/zinc/82/86/80/368828680.db2.gz OPNJKHLLASTJBT-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCC1(C)C ZINC000615957909 368785296 /nfs/dbraw/zinc/78/52/96/368785296.db2.gz AHQSLSVPSJNGQB-WDEREUQCSA-N 1 2 249.358 2.516 20 0 BFADLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CCC1(C)C ZINC000615957899 368785429 /nfs/dbraw/zinc/78/54/29/368785429.db2.gz AHQSLSVPSJNGQB-GHMZBOCLSA-N 1 2 249.358 2.516 20 0 BFADLO COc1cccc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000623645801 368966018 /nfs/dbraw/zinc/96/60/18/368966018.db2.gz OIUHCLVRAQGZJF-UHFFFAOYSA-N 1 2 231.299 2.647 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)CCCCC(C)C ZINC000457554417 203073745 /nfs/dbraw/zinc/07/37/45/203073745.db2.gz RVZLQJFOKXYVQS-UHFFFAOYSA-N 1 2 234.343 2.967 20 0 BFADLO Cc1cccn2c(NC(=O)CC3(C)CC3)c[nH+]c12 ZINC000619014145 369257456 /nfs/dbraw/zinc/25/74/56/369257456.db2.gz DVLGIKFZMWHJFR-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO Cc1cccn2c(NC(=O)C3CCCC3)c[nH+]c12 ZINC000619011666 369257600 /nfs/dbraw/zinc/25/76/00/369257600.db2.gz XRYFGGIMOXQEJQ-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO Cc1[nH+]cccc1NCc1cnc(C2CC2)nc1 ZINC000459456772 203285427 /nfs/dbraw/zinc/28/54/27/203285427.db2.gz XJZCKCWTFWXYEG-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000623679878 369381974 /nfs/dbraw/zinc/38/19/74/369381974.db2.gz NVMIIVNHODOPLM-UHFFFAOYSA-N 1 2 231.290 2.599 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc(F)c1 ZINC000623680214 369387598 /nfs/dbraw/zinc/38/75/98/369387598.db2.gz BELQXWLCYZTLHR-UHFFFAOYSA-N 1 2 217.234 2.961 20 0 BFADLO COC1(C)C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC000459570532 203303543 /nfs/dbraw/zinc/30/35/43/203303543.db2.gz BMYFTXAFLLGKOU-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCOC1(C)C[NH+](Cc2ccc(F)c(C)c2)C1 ZINC000459619176 203318657 /nfs/dbraw/zinc/31/86/57/203318657.db2.gz KIPKZLHFFXPMIA-UHFFFAOYSA-N 1 2 237.318 2.745 20 0 BFADLO CC(C)(C)OCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459739619 203348680 /nfs/dbraw/zinc/34/86/80/203348680.db2.gz SXWBCHDGXORSJB-UHFFFAOYSA-N 1 2 237.318 2.956 20 0 BFADLO CC(C)(C)OCC[N@H+]1Cc2cccc(F)c2C1 ZINC000459739619 203348685 /nfs/dbraw/zinc/34/86/85/203348685.db2.gz SXWBCHDGXORSJB-UHFFFAOYSA-N 1 2 237.318 2.956 20 0 BFADLO CC[N@H+](Cc1ccoc1)[C@@H](C)c1nnc(C)o1 ZINC000069607558 370957961 /nfs/dbraw/zinc/95/79/61/370957961.db2.gz BVDRUZFASOEPEI-VIFPVBQESA-N 1 2 235.287 2.554 20 0 BFADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1nnc(C)o1 ZINC000069607558 370957969 /nfs/dbraw/zinc/95/79/69/370957969.db2.gz BVDRUZFASOEPEI-VIFPVBQESA-N 1 2 235.287 2.554 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]cc2O)c(C)s1 ZINC000109890580 369558510 /nfs/dbraw/zinc/55/85/10/369558510.db2.gz KCOICVBCNSLFJF-UHFFFAOYSA-N 1 2 248.307 2.718 20 0 BFADLO CCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCCC1 ZINC000620603825 369952084 /nfs/dbraw/zinc/95/20/84/369952084.db2.gz NQBYFZVKRFSSSN-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO C[C@@H](NC(=O)CC1(C)CCCC1)c1[nH+]ccn1C ZINC000620607546 369955638 /nfs/dbraw/zinc/95/56/38/369955638.db2.gz IBSHXYVVSBFVNJ-LLVKDONJSA-N 1 2 249.358 2.568 20 0 BFADLO C[C@H]1OCC[C@@H]1CSc1[nH+]cc2ccccn21 ZINC000631003890 370075952 /nfs/dbraw/zinc/07/59/52/370075952.db2.gz ARPIVMFOZFYUMZ-GHMZBOCLSA-N 1 2 248.351 2.851 20 0 BFADLO FC(F)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831556 370171849 /nfs/dbraw/zinc/17/18/49/370171849.db2.gz QDYHEZVLNGSPIP-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831556 370171854 /nfs/dbraw/zinc/17/18/54/370171854.db2.gz QDYHEZVLNGSPIP-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2cccc(F)c2)n1 ZINC000621283162 370213387 /nfs/dbraw/zinc/21/33/87/370213387.db2.gz WZDWSCYIHNEFRM-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2cccc(F)c2)n1 ZINC000621283162 370213393 /nfs/dbraw/zinc/21/33/93/370213393.db2.gz WZDWSCYIHNEFRM-SECBINFHSA-N 1 2 249.289 2.710 20 0 BFADLO Cc1nc(N2CC(C)(c3ccccc3)C2)cc[nH+]1 ZINC000621346294 370281515 /nfs/dbraw/zinc/28/15/15/370281515.db2.gz JXVRQGOQYISAEB-UHFFFAOYSA-N 1 2 239.322 2.563 20 0 BFADLO Cc1cc(N2CC(C)(c3ccccc3)C2)nc[nH+]1 ZINC000621346168 370281713 /nfs/dbraw/zinc/28/17/13/370281713.db2.gz FUIYWCOQKAMFOU-UHFFFAOYSA-N 1 2 239.322 2.563 20 0 BFADLO CCOc1cncc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000621350338 370286310 /nfs/dbraw/zinc/28/63/10/370286310.db2.gz FRWNTHZULHSYNT-UHFFFAOYSA-N 1 2 244.285 2.614 20 0 BFADLO CC1CC(CNc2cc[nH+]c3ccncc23)C1 ZINC000621354218 370290214 /nfs/dbraw/zinc/29/02/14/370290214.db2.gz CCUXGIIFUREIEY-UHFFFAOYSA-N 1 2 227.311 2.510 20 0 BFADLO CCOc1cncc(C[NH2+][C@H](CC)C(F)F)c1 ZINC000621358828 370293417 /nfs/dbraw/zinc/29/34/17/370293417.db2.gz WDEDTDCUUQAYRL-LLVKDONJSA-N 1 2 244.285 2.614 20 0 BFADLO Cc1cc(N2CC(CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000621359357 370293460 /nfs/dbraw/zinc/29/34/60/370293460.db2.gz DZPMBJSPWBBQNE-UHFFFAOYSA-N 1 2 243.354 2.899 20 0 BFADLO c1cc(N2CC(CC3CC3)C2)nc(C2CC2)[nH+]1 ZINC000621359805 370294836 /nfs/dbraw/zinc/29/48/36/370294836.db2.gz XHBVBWXAWZEZAQ-UHFFFAOYSA-N 1 2 229.327 2.590 20 0 BFADLO FC(F)[C@@H]([NH2+]Cc1cn[nH]c1)C1CCCCC1 ZINC000621401871 370339714 /nfs/dbraw/zinc/33/97/14/370339714.db2.gz MDQVLXCIUXGKMR-NSHDSACASA-N 1 2 243.301 2.713 20 0 BFADLO CC1(c2ccccc2)C[NH+](Cc2nccs2)C1 ZINC000621734817 370491878 /nfs/dbraw/zinc/49/18/78/370491878.db2.gz XDUQSRBYANZNJR-UHFFFAOYSA-N 1 2 244.363 2.917 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)C(C)(C)C1 ZINC000569258547 326398104 /nfs/dbraw/zinc/39/81/04/326398104.db2.gz GZWOHNLKAGXQDA-LLVKDONJSA-N 1 2 233.359 2.966 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000389910075 371180751 /nfs/dbraw/zinc/18/07/51/371180751.db2.gz JGJMHAQGWYVUME-JGVFFNPUSA-N 1 2 244.241 2.899 20 0 BFADLO CCOCCNc1cc2ccccc2c[nH+]1 ZINC000631066739 371269212 /nfs/dbraw/zinc/26/92/12/371269212.db2.gz MWWWALPQJUJMHF-UHFFFAOYSA-N 1 2 216.284 2.683 20 0 BFADLO CCn1ccc(CN(C)c2[nH+]cccc2OC)c1 ZINC000624153174 371349699 /nfs/dbraw/zinc/34/96/99/371349699.db2.gz XBUXYWHPTGBSRN-UHFFFAOYSA-N 1 2 245.326 2.548 20 0 BFADLO Nc1ccc(-c2cnc3ccccc3c2)c[nH+]1 ZINC000016948030 181694993 /nfs/dbraw/zinc/69/49/93/181694993.db2.gz JMBBNCALQNWAJV-UHFFFAOYSA-N 1 2 221.263 2.879 20 0 BFADLO COc1ccc(NCc2cccs2)[nH+]c1 ZINC000226949475 371760168 /nfs/dbraw/zinc/76/01/68/371760168.db2.gz DTRULVJEQYRFII-UHFFFAOYSA-N 1 2 220.297 2.764 20 0 BFADLO COc1ccc[nH+]c1NC[C@H](C)C1CC1 ZINC000133314890 372022710 /nfs/dbraw/zinc/02/27/10/372022710.db2.gz RTRLNWWXAPVHMZ-VIFPVBQESA-N 1 2 206.289 2.548 20 0 BFADLO Cc1ccc(C[NH2+]CC(C)(F)F)c(F)c1 ZINC000631142920 372208205 /nfs/dbraw/zinc/20/82/05/372208205.db2.gz MKAKCUYKGAPJMA-UHFFFAOYSA-N 1 2 217.234 2.879 20 0 BFADLO CCCCc1cc(N[C@@H](C)c2cn[nH]c2)nc[nH+]1 ZINC000631184003 372221261 /nfs/dbraw/zinc/22/12/61/372221261.db2.gz XMLNCXXUMFOZQC-JTQLQIEISA-N 1 2 245.330 2.715 20 0 BFADLO CN(CCCCCO)c1cc2ccccc2c[nH+]1 ZINC000631251939 372263071 /nfs/dbraw/zinc/26/30/71/372263071.db2.gz LKXHNPYYORHTPA-UHFFFAOYSA-N 1 2 244.338 2.834 20 0 BFADLO CN(c1cc2ccccc2c[nH+]1)[C@H]1CCCOC1 ZINC000631273906 372272155 /nfs/dbraw/zinc/27/21/55/372272155.db2.gz WLPDDNOYMMASCV-AWEZNQCLSA-N 1 2 242.322 2.850 20 0 BFADLO CN(c1cc2ccccc2c[nH+]1)[C@@H]1CCCOC1 ZINC000631273907 372272167 /nfs/dbraw/zinc/27/21/67/372272167.db2.gz WLPDDNOYMMASCV-CQSZACIVSA-N 1 2 242.322 2.850 20 0 BFADLO c1cc(N[C@H]2CCCC23CC3)nc(C2CC2)[nH+]1 ZINC000631418121 372351022 /nfs/dbraw/zinc/35/10/22/372351022.db2.gz JTRSZRIBQFQDQK-NSHDSACASA-N 1 2 229.327 2.521 20 0 BFADLO FCCC1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000631450172 372370499 /nfs/dbraw/zinc/37/04/99/372370499.db2.gz YICVCYIJXXINAZ-UHFFFAOYSA-N 1 2 249.333 2.930 20 0 BFADLO CCCCc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)nc[nH+]1 ZINC000631465218 372378700 /nfs/dbraw/zinc/37/87/00/372378700.db2.gz JHBSFAKIICTKSW-GMXVVIOVSA-N 1 2 249.358 2.797 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)no1 ZINC000631753404 372555097 /nfs/dbraw/zinc/55/50/97/372555097.db2.gz LIHGNJKMIDZPHK-LKEWCRSYSA-N 1 2 234.221 2.584 20 0 BFADLO CC(C)CCOC1CC[NH+](CC(F)F)CC1 ZINC000171990727 372846999 /nfs/dbraw/zinc/84/69/99/372846999.db2.gz DVMDJLUEVBBREJ-UHFFFAOYSA-N 1 2 235.318 2.779 20 0 BFADLO FC(F)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000171990355 372847670 /nfs/dbraw/zinc/84/76/70/372847670.db2.gz XBBQZFNXTCURSK-GFCCVEGCSA-N 1 2 225.282 2.959 20 0 BFADLO FC(F)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000171990355 372847679 /nfs/dbraw/zinc/84/76/79/372847679.db2.gz XBBQZFNXTCURSK-GFCCVEGCSA-N 1 2 225.282 2.959 20 0 BFADLO CCCO[C@@H]1CCC[N@H+](CC(F)F)CC1 ZINC000171994415 372850540 /nfs/dbraw/zinc/85/05/40/372850540.db2.gz UNTXSQBWJPZUKO-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO CCCO[C@@H]1CCC[N@@H+](CC(F)F)CC1 ZINC000171994415 372850546 /nfs/dbraw/zinc/85/05/46/372850546.db2.gz UNTXSQBWJPZUKO-SNVBAGLBSA-N 1 2 221.291 2.533 20 0 BFADLO O=C(CSc1[nH+]cc2ccccn21)C1CCC1 ZINC000278179647 182011303 /nfs/dbraw/zinc/01/13/03/182011303.db2.gz QTLOEMCAAFCOOG-UHFFFAOYSA-N 1 2 246.335 2.796 20 0 BFADLO Cc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C)no1 ZINC000172910018 373105933 /nfs/dbraw/zinc/10/59/33/373105933.db2.gz OGYGTKXWABBLTB-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)no1 ZINC000172910018 373105936 /nfs/dbraw/zinc/10/59/36/373105936.db2.gz OGYGTKXWABBLTB-LLVKDONJSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1ccc(NCc2ccc(CO)cc2)c(C)[nH+]1 ZINC000634305521 374147192 /nfs/dbraw/zinc/14/71/92/374147192.db2.gz UMBSDVOYGDGDQT-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO C[C@H](CC1CCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000634372415 374222693 /nfs/dbraw/zinc/22/26/93/374222693.db2.gz PUOYRFXHOIGSIU-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO CC[N@H+](Cc1noc(C(C)(C)C)n1)C(C)C ZINC000194095647 206003647 /nfs/dbraw/zinc/00/36/47/206003647.db2.gz PSXBSIPUABSMAT-UHFFFAOYSA-N 1 2 225.336 2.597 20 0 BFADLO CC[N@@H+](Cc1noc(C(C)(C)C)n1)C(C)C ZINC000194095647 206003648 /nfs/dbraw/zinc/00/36/48/206003648.db2.gz PSXBSIPUABSMAT-UHFFFAOYSA-N 1 2 225.336 2.597 20 0 BFADLO CCc1cc(OC)ccc1C[NH2+]CC(F)F ZINC000459546628 206132918 /nfs/dbraw/zinc/13/29/18/206132918.db2.gz NCKGOQKDGIRRMA-UHFFFAOYSA-N 1 2 229.270 2.612 20 0 BFADLO O=C(Nc1ccsc1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000336450014 182389670 /nfs/dbraw/zinc/38/96/70/182389670.db2.gz CNNJYNBPLMCOFL-SECBINFHSA-N 1 2 247.323 2.530 20 0 BFADLO O=C(Nc1ccsc1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000336450015 182390272 /nfs/dbraw/zinc/39/02/72/182390272.db2.gz CNNJYNBPLMCOFL-VIFPVBQESA-N 1 2 247.323 2.530 20 0 BFADLO c1[nH+]c2ccccn2c1CSC[C@H]1CCCO1 ZINC000191765372 259578673 /nfs/dbraw/zinc/57/86/73/259578673.db2.gz UDZVMSSCCZPEPI-GFCCVEGCSA-N 1 2 248.351 2.747 20 0 BFADLO OCC[C@H](Nc1cccc[nH+]1)c1cccs1 ZINC000301358371 183097543 /nfs/dbraw/zinc/09/75/43/183097543.db2.gz NTMNAQPCFZEATG-JTQLQIEISA-N 1 2 234.324 2.679 20 0 BFADLO CCCC[C@H](COC)[NH2+]C1(C(F)F)CC1 ZINC000336724446 169003277 /nfs/dbraw/zinc/00/32/77/169003277.db2.gz FUTHJWYIPSSJJM-SECBINFHSA-N 1 2 221.291 2.579 20 0 BFADLO CCCC[C@H]1CCC[C@H]1NC(=O)c1c[nH+]c(C)[nH]1 ZINC000333978462 169014088 /nfs/dbraw/zinc/01/40/88/169014088.db2.gz GMZBRMKDBVDTAX-NWDGAFQWSA-N 1 2 249.358 2.807 20 0 BFADLO OCc1ccc(NCc2ccccc2Cl)[nH+]c1 ZINC000356326328 183166645 /nfs/dbraw/zinc/16/66/45/183166645.db2.gz XETFMEZVTZVCJI-UHFFFAOYSA-N 1 2 248.713 2.839 20 0 BFADLO CCC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000124747518 169082330 /nfs/dbraw/zinc/08/23/30/169082330.db2.gz MQDPHUAHFNDPMG-UHFFFAOYSA-N 1 2 245.326 2.887 20 0 BFADLO CCC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000124747518 169082331 /nfs/dbraw/zinc/08/23/31/169082331.db2.gz MQDPHUAHFNDPMG-UHFFFAOYSA-N 1 2 245.326 2.887 20 0 BFADLO O[C@H](CNc1[nH+]ccc2ccc(F)cc21)C1CC1 ZINC000354323191 183226824 /nfs/dbraw/zinc/22/68/24/183226824.db2.gz AFCPBGWGQCQBOE-CYBMUJFWSA-N 1 2 246.285 2.557 20 0 BFADLO CCCN(C)c1nc(C)[nH+]c2c1CCCC2 ZINC000302027875 169089903 /nfs/dbraw/zinc/08/99/03/169089903.db2.gz AQBOGHWMBUQBLV-UHFFFAOYSA-N 1 2 219.332 2.510 20 0 BFADLO CCCN(CC(F)F)c1cc[nH+]c(C2CC2)n1 ZINC000112965651 169109477 /nfs/dbraw/zinc/10/94/77/169109477.db2.gz MVSREECLFFHBBU-UHFFFAOYSA-N 1 2 241.285 2.836 20 0 BFADLO CCC[N@@H+](Cc1cccc(N)c1)CC(F)F ZINC000037756121 169174984 /nfs/dbraw/zinc/17/49/84/169174984.db2.gz YJLLYLDJYHNKCW-UHFFFAOYSA-N 1 2 228.286 2.746 20 0 BFADLO CCC[N@H+](Cc1cccc(N)c1)CC(F)F ZINC000037756121 169174987 /nfs/dbraw/zinc/17/49/87/169174987.db2.gz YJLLYLDJYHNKCW-UHFFFAOYSA-N 1 2 228.286 2.746 20 0 BFADLO Oc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000112553281 183291499 /nfs/dbraw/zinc/29/14/99/183291499.db2.gz FRMCOGVBQHWLFR-UHFFFAOYSA-N 1 2 241.294 2.672 20 0 BFADLO c1c2[nH]c(C3CCC3)[nH+]c2cc2c1OCO2 ZINC000057797678 183321671 /nfs/dbraw/zinc/32/16/71/183321671.db2.gz WHFHSWWLLQVJGR-UHFFFAOYSA-N 1 2 216.240 2.559 20 0 BFADLO CCC[N@@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370740475 169191921 /nfs/dbraw/zinc/19/19/21/169191921.db2.gz OVAKDZFHBLAGMR-SNVBAGLBSA-N 1 2 223.320 2.569 20 0 BFADLO CCC[N@H+]1CCCC[C@@H]1c1noc(CC)n1 ZINC000370740475 169191923 /nfs/dbraw/zinc/19/19/23/169191923.db2.gz OVAKDZFHBLAGMR-SNVBAGLBSA-N 1 2 223.320 2.569 20 0 BFADLO c1c[nH+]c(CNc2ccc3c(c2)CCCC3)[nH]1 ZINC000294741724 183325303 /nfs/dbraw/zinc/32/53/03/183325303.db2.gz HGNDDEPWFFHSRX-UHFFFAOYSA-N 1 2 227.311 2.901 20 0 BFADLO c1c[nH+]c([C@@H]2CCCCN2Cc2cscn2)[nH]1 ZINC000152023480 183328023 /nfs/dbraw/zinc/32/80/23/183328023.db2.gz KKPPMQSDKNIRPJ-NSHDSACASA-N 1 2 248.355 2.593 20 0 BFADLO c1cc(NCCCOCC2CC2)nc(C2CC2)[nH+]1 ZINC000110120656 183356881 /nfs/dbraw/zinc/35/68/81/183356881.db2.gz ZBKUJDYELOUROD-UHFFFAOYSA-N 1 2 247.342 2.583 20 0 BFADLO c1cc(NCC2CCSCC2)nc(C2CC2)[nH+]1 ZINC000264951796 183357489 /nfs/dbraw/zinc/35/74/89/183357489.db2.gz LGEOATNLDVZTKT-UHFFFAOYSA-N 1 2 249.383 2.909 20 0 BFADLO c1cc([C@H]2CCCC[N@H+]2Cc2cncs2)n[nH]1 ZINC000289337305 183361701 /nfs/dbraw/zinc/36/17/01/183361701.db2.gz HJIOBPRBZMYDKK-GFCCVEGCSA-N 1 2 248.355 2.593 20 0 BFADLO c1cc([C@H]2CCCC[N@@H+]2Cc2cncs2)n[nH]1 ZINC000289337305 183361704 /nfs/dbraw/zinc/36/17/04/183361704.db2.gz HJIOBPRBZMYDKK-GFCCVEGCSA-N 1 2 248.355 2.593 20 0 BFADLO CCC[NH2+][C@H](C(=O)OC)c1ccc(C)c(C)c1 ZINC000037513309 169285145 /nfs/dbraw/zinc/28/51/45/169285145.db2.gz BKMYLVPCBXXOAZ-ZDUSSCGKSA-N 1 2 235.327 2.517 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccccn2)n1 ZINC000152038580 183397158 /nfs/dbraw/zinc/39/71/58/183397158.db2.gz AWZGSGROZYMSPE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000152038580 183397161 /nfs/dbraw/zinc/39/71/61/183397161.db2.gz AWZGSGROZYMSPE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH+]c([C@H]2CCCCN2Cc2ccccn2)[nH]1 ZINC000152038580 183397162 /nfs/dbraw/zinc/39/71/62/183397162.db2.gz AWZGSGROZYMSPE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1nc(C[NH2+]Cc2coc3ccccc23)co1 ZINC000339406980 183439186 /nfs/dbraw/zinc/43/91/86/183439186.db2.gz ISCZKXCNNUSSLU-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO CCCOc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000236833026 169318508 /nfs/dbraw/zinc/31/85/08/169318508.db2.gz RYXZSMGVSWPNRY-UHFFFAOYSA-N 1 2 246.310 2.753 20 0 BFADLO CCCOc1ncccc1C[NH2+]Cc1ccco1 ZINC000070694255 169328824 /nfs/dbraw/zinc/32/88/24/169328824.db2.gz GNINMLZJXLHZKC-UHFFFAOYSA-N 1 2 246.310 2.753 20 0 BFADLO CCC[C@@H](C)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000337355013 169371536 /nfs/dbraw/zinc/37/15/36/169371536.db2.gz BSTHPHWEKLBWHH-YPMHNXCESA-N 1 2 244.342 2.672 20 0 BFADLO CCC[C@@H](C[NH2+][C@@H](C)C(=O)OC)c1ccccc1 ZINC000272430702 169385951 /nfs/dbraw/zinc/38/59/51/169385951.db2.gz QHFRZFZKEDHXIW-JSGCOSHPSA-N 1 2 249.354 2.721 20 0 BFADLO CCC[C@@H]1C[C@@H]1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000360475561 169428086 /nfs/dbraw/zinc/42/80/86/169428086.db2.gz URQAEGWEUOLHRD-GRYCIOLGSA-N 1 2 249.358 2.659 20 0 BFADLO CCC[C@@](C)(CC)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000355821128 169445966 /nfs/dbraw/zinc/44/59/66/169445966.db2.gz ARQCLUDYUYDWBC-CYBMUJFWSA-N 1 2 237.347 2.585 20 0 BFADLO COC[C@@H](C)SCc1ccc(C)[nH+]c1C ZINC000184827172 134369481 /nfs/dbraw/zinc/36/94/81/134369481.db2.gz DEJGYNDISOETRG-SNVBAGLBSA-N 1 2 225.357 2.967 20 0 BFADLO CC[C@@H](C)C[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000088298860 383891832 /nfs/dbraw/zinc/89/18/32/383891832.db2.gz JAELUOKCZIIVMS-NXEZZACHSA-N 1 2 247.346 2.600 20 0 BFADLO c1cc(C[NH2+][C@H](c2ccccc2)C2CC2)[nH]n1 ZINC000037075406 383934093 /nfs/dbraw/zinc/93/40/93/383934093.db2.gz XGIGZMUXHCECPO-CQSZACIVSA-N 1 2 227.311 2.651 20 0 BFADLO C[C@H](CCCO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000088503653 383904906 /nfs/dbraw/zinc/90/49/06/383904906.db2.gz IBTCWLOIFRJWAR-MRVPVSSYSA-N 1 2 248.248 2.673 20 0 BFADLO CC[C@H]([NH2+]Cc1cccnc1C)C(F)F ZINC000449362487 383981404 /nfs/dbraw/zinc/98/14/04/383981404.db2.gz MZRNGAKFRXDHQQ-JTQLQIEISA-N 1 2 214.259 2.523 20 0 BFADLO CC[C@@H](Nc1[nH+]c2ccccc2n1C)[C@@H](O)CC ZINC000313176127 383994025 /nfs/dbraw/zinc/99/40/25/383994025.db2.gz ZEZIRBPERAWCGQ-MFKMUULPSA-N 1 2 247.342 2.535 20 0 BFADLO CC[C@H]([NH2+]Cc1cccc(O)c1)C(F)F ZINC000449365642 383998070 /nfs/dbraw/zinc/99/80/70/383998070.db2.gz WRQMUDUHEYLGAX-JTQLQIEISA-N 1 2 215.243 2.526 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC3(CCCC3)C2)no1 ZINC000336459897 383949601 /nfs/dbraw/zinc/94/96/01/383949601.db2.gz GYOVHQYDNUINSI-UHFFFAOYSA-N 1 2 235.331 2.534 20 0 BFADLO Cc1nc(C[N@H+]2CCCC3(CCCC3)C2)no1 ZINC000336459897 383949606 /nfs/dbraw/zinc/94/96/06/383949606.db2.gz GYOVHQYDNUINSI-UHFFFAOYSA-N 1 2 235.331 2.534 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000268000256 383951138 /nfs/dbraw/zinc/95/11/38/383951138.db2.gz BXNANMZYHFIYRW-SECBINFHSA-N 1 2 233.315 2.572 20 0 BFADLO Cc1ccc(NC(=O)N2C[C@H](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000267998680 383952532 /nfs/dbraw/zinc/95/25/32/383952532.db2.gz BQJGNTZUNUCBLF-UWVGGRQHSA-N 1 2 247.342 2.818 20 0 BFADLO Cc1ccc(NC(=O)N2CC[C@H](C)C2)c(C)[nH+]1 ZINC000268000258 383952940 /nfs/dbraw/zinc/95/29/40/383952940.db2.gz BXNANMZYHFIYRW-VIFPVBQESA-N 1 2 233.315 2.572 20 0 BFADLO CCC[C@H](C)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000112887114 383955566 /nfs/dbraw/zinc/95/55/66/383955566.db2.gz UVLQXXVDCXZKIC-NWDGAFQWSA-N 1 2 249.358 2.900 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000010163074 383959864 /nfs/dbraw/zinc/95/98/64/383959864.db2.gz CKBMIFXOYHHMMJ-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO C[N@H+](Cc1cc[nH]n1)Cc1cccc(Cl)c1 ZINC000114188326 384027002 /nfs/dbraw/zinc/02/70/02/384027002.db2.gz KWJOBAGORCYSIQ-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(Cl)c1 ZINC000114188326 384027010 /nfs/dbraw/zinc/02/70/10/384027010.db2.gz KWJOBAGORCYSIQ-UHFFFAOYSA-N 1 2 235.718 2.695 20 0 BFADLO CC[C@](C)(O)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000090803609 384075880 /nfs/dbraw/zinc/07/58/80/384075880.db2.gz JTCMEYQRHYZSMQ-JTQLQIEISA-N 1 2 248.248 2.673 20 0 BFADLO FCC(CF)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000449380952 384099248 /nfs/dbraw/zinc/09/92/48/384099248.db2.gz PRAGZBPRBRDCFA-UHFFFAOYSA-N 1 2 239.309 2.963 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2csnn2)s1 ZINC000398312750 384106635 /nfs/dbraw/zinc/10/66/35/384106635.db2.gz CIAQBRHCKXGTHI-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC[C@@H]2C)o1 ZINC000091810492 384147131 /nfs/dbraw/zinc/14/71/31/384147131.db2.gz VLECTBPFACTUAL-GMXVVIOVSA-N 1 2 235.327 2.624 20 0 BFADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOC[C@@H]2C)o1 ZINC000091810492 384147134 /nfs/dbraw/zinc/14/71/34/384147134.db2.gz VLECTBPFACTUAL-GMXVVIOVSA-N 1 2 235.327 2.624 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000449390090 384150686 /nfs/dbraw/zinc/15/06/86/384150686.db2.gz VGFTUYJBPHKFHN-ZETCQYMHSA-N 1 2 219.712 2.945 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000449390090 384150691 /nfs/dbraw/zinc/15/06/91/384150691.db2.gz VGFTUYJBPHKFHN-ZETCQYMHSA-N 1 2 219.712 2.945 20 0 BFADLO Cc1ccc(F)c(C[NH2+]Cc2nccs2)c1 ZINC000116914341 384158145 /nfs/dbraw/zinc/15/81/45/384158145.db2.gz IYTNDDFTOUAVEB-UHFFFAOYSA-N 1 2 236.315 2.880 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594492 384185845 /nfs/dbraw/zinc/18/58/45/384185845.db2.gz XAACYZZDROBKHM-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO c1coc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000092594492 384185846 /nfs/dbraw/zinc/18/58/46/384185846.db2.gz XAACYZZDROBKHM-LBPRGKRZSA-N 1 2 249.335 2.915 20 0 BFADLO C[C@@H]1OCC[C@H]1[NH2+]CC(F)(F)c1ccccc1 ZINC000227903596 134398798 /nfs/dbraw/zinc/39/87/98/134398798.db2.gz GLFMSMGGIGCCAN-CMPLNLGQSA-N 1 2 241.281 2.545 20 0 BFADLO c1ccc2[nH+]c(N3CCCCCC3)[nH]c2c1 ZINC000008016128 384192149 /nfs/dbraw/zinc/19/21/49/384192149.db2.gz LQDRHXXAOXZUME-UHFFFAOYSA-N 1 2 215.300 2.943 20 0 BFADLO Cc1c[nH]c(C[N@@H+]2CCc3sccc3[C@H]2C)n1 ZINC000628123216 384197225 /nfs/dbraw/zinc/19/72/25/384197225.db2.gz GUFCUNPCXHUUBN-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]c(C[N@H+]2CCc3sccc3[C@H]2C)n1 ZINC000628123216 384197229 /nfs/dbraw/zinc/19/72/29/384197229.db2.gz GUFCUNPCXHUUBN-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1c[nH]c(CN2CCc3sccc3[C@H]2C)[nH+]1 ZINC000628123216 384197232 /nfs/dbraw/zinc/19/72/32/384197232.db2.gz GUFCUNPCXHUUBN-SNVBAGLBSA-N 1 2 247.367 2.899 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000119166500 384240960 /nfs/dbraw/zinc/24/09/60/384240960.db2.gz NZPJEFOUPVIQCK-GFCCVEGCSA-N 1 2 230.311 2.993 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000093149727 384216910 /nfs/dbraw/zinc/21/69/10/384216910.db2.gz QVKUHHFEEBZUSC-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000093149727 384216912 /nfs/dbraw/zinc/21/69/12/384216912.db2.gz QVKUHHFEEBZUSC-LBPRGKRZSA-N 1 2 241.338 2.837 20 0 BFADLO CSC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119362958 384264508 /nfs/dbraw/zinc/26/45/08/384264508.db2.gz GVTNREZVWLIMSJ-QMMMGPOBSA-N 1 2 238.356 2.636 20 0 BFADLO Cc1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000010163246 384270100 /nfs/dbraw/zinc/27/01/00/384270100.db2.gz YCCQMWNXDPSHKF-UHFFFAOYSA-N 1 2 226.279 2.951 20 0 BFADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119486299 384276824 /nfs/dbraw/zinc/27/68/24/384276824.db2.gz MTMRQDBUWSACPV-PWSUYJOCSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1n[nH]c(C)c1CNc1ccc(C)[nH+]c1C ZINC000094663973 384309633 /nfs/dbraw/zinc/30/96/33/384309633.db2.gz QGBNNQZWPQYKCO-UHFFFAOYSA-N 1 2 230.315 2.650 20 0 BFADLO Cc1nn(C)c(C)c1CNc1ccc(C)[nH+]c1C ZINC000094664913 384310211 /nfs/dbraw/zinc/31/02/11/384310211.db2.gz MEUFPHYMSWYALF-UHFFFAOYSA-N 1 2 244.342 2.661 20 0 BFADLO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)CO1 ZINC000335441246 384281969 /nfs/dbraw/zinc/28/19/69/384281969.db2.gz RNBIDGXJHSPYSD-APPZFPTMSA-N 1 2 246.232 2.690 20 0 BFADLO CC[C@H]1CCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119596018 384287203 /nfs/dbraw/zinc/28/72/03/384287203.db2.gz UFQONJQQYDQUQS-NSHDSACASA-N 1 2 233.315 2.654 20 0 BFADLO C[C@@H]([NH2+]C/C=C/c1ccncc1)C(C)(F)F ZINC000449413360 384297720 /nfs/dbraw/zinc/29/77/20/384297720.db2.gz IBZHPMRSOVMWNH-HMDXOVGESA-N 1 2 226.270 2.728 20 0 BFADLO CC(C)CCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120177987 384335169 /nfs/dbraw/zinc/33/51/69/384335169.db2.gz XGDIDJOBCHGDSI-LBPRGKRZSA-N 1 2 249.358 2.900 20 0 BFADLO C/C=C/C=C/C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120195196 384333028 /nfs/dbraw/zinc/33/30/28/384333028.db2.gz GGKRLVXFGPDEAD-LENVYROZSA-N 1 2 245.326 2.596 20 0 BFADLO c1sc(C2CC2)nc1C[NH+]1CC(C2CC2)C1 ZINC000643345814 384426298 /nfs/dbraw/zinc/42/62/98/384426298.db2.gz OEOWHCXMAWRJBZ-UHFFFAOYSA-N 1 2 234.368 2.862 20 0 BFADLO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1)C(=O)OC ZINC000134974127 384403633 /nfs/dbraw/zinc/40/36/33/384403633.db2.gz FDGLZYDVNJDKHC-QWHCGFSZSA-N 1 2 235.327 2.679 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000134965172 384404524 /nfs/dbraw/zinc/40/45/24/384404524.db2.gz HGWCUBPGHDFSGI-DGCLKSJQSA-N 1 2 235.327 2.597 20 0 BFADLO Clc1ccc(/C=C\C[NH+]2CCOCC2)cc1 ZINC000255113942 384405992 /nfs/dbraw/zinc/40/59/92/384405992.db2.gz MMUTZCOCEIMCNP-UPHRSURJSA-N 1 2 237.730 2.685 20 0 BFADLO CCCCc1csc(Cn2cc[nH+]c2)n1 ZINC000163922788 384406820 /nfs/dbraw/zinc/40/68/20/384406820.db2.gz URKYYQUWZRVVJJ-UHFFFAOYSA-N 1 2 221.329 2.731 20 0 BFADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccco2)s1 ZINC000135009138 384407378 /nfs/dbraw/zinc/40/73/78/384407378.db2.gz BZSGTCAQXPZTDK-SFYZADRCSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@@H]1C ZINC000121423772 384417451 /nfs/dbraw/zinc/41/74/51/384417451.db2.gz ZXZMEUOOJMVCTN-GXSJLCMTSA-N 1 2 233.315 2.700 20 0 BFADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cnccn2)s1 ZINC000135164049 384419519 /nfs/dbraw/zinc/41/95/19/384419519.db2.gz JDOFYNAGDYWYAW-ZJUUUORDSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)s1 ZINC000135163990 384419604 /nfs/dbraw/zinc/41/96/04/384419604.db2.gz JDOFYNAGDYWYAW-VHSXEESVSA-N 1 2 248.355 2.653 20 0 BFADLO FC[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000292807726 384390377 /nfs/dbraw/zinc/39/03/77/384390377.db2.gz NXQKPNLAKHRQHB-SNVBAGLBSA-N 1 2 231.274 2.568 20 0 BFADLO FC[C@@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000292807724 384390415 /nfs/dbraw/zinc/39/04/15/384390415.db2.gz NXQKPNLAKHRQHB-JTQLQIEISA-N 1 2 231.274 2.568 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000122107608 384457889 /nfs/dbraw/zinc/45/78/89/384457889.db2.gz WNTVZJFAMVMJNB-VXGBXAGGSA-N 1 2 245.326 2.654 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1CCCCCC1 ZINC000121751664 384435839 /nfs/dbraw/zinc/43/58/39/384435839.db2.gz ZKQSOCGWZBJFAM-UHFFFAOYSA-N 1 2 233.315 2.798 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CCC1CC1 ZINC000121907944 384443828 /nfs/dbraw/zinc/44/38/28/384443828.db2.gz RJIUGKDTWNLZSE-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO CSCCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000122238233 384465497 /nfs/dbraw/zinc/46/54/97/384465497.db2.gz OQQJQIIMCDKRHR-UHFFFAOYSA-N 1 2 238.356 2.862 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]2C2CC2)no1 ZINC000363386886 384479975 /nfs/dbraw/zinc/47/99/75/384479975.db2.gz WLFOLRDRUOHVNK-NSHDSACASA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H]2C2CC2)no1 ZINC000363386886 384479981 /nfs/dbraw/zinc/47/99/81/384479981.db2.gz WLFOLRDRUOHVNK-NSHDSACASA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2C2CC2)no1 ZINC000363386885 384482260 /nfs/dbraw/zinc/48/22/60/384482260.db2.gz WLFOLRDRUOHVNK-LLVKDONJSA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2C2CC2)no1 ZINC000363386885 384482265 /nfs/dbraw/zinc/48/22/65/384482265.db2.gz WLFOLRDRUOHVNK-LLVKDONJSA-N 1 2 235.331 2.567 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cnccc2C)oc1C ZINC000361423767 384519197 /nfs/dbraw/zinc/51/91/97/384519197.db2.gz VXWTYEHQPPMEBI-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cnccc2C)oc1C ZINC000361423767 384519200 /nfs/dbraw/zinc/51/92/00/384519200.db2.gz VXWTYEHQPPMEBI-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO C[NH2+]Cc1noc([C@@H]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC000249847648 384523216 /nfs/dbraw/zinc/52/32/16/384523216.db2.gz GBKMZAAVAKJBHX-GRYCIOLGSA-N 1 2 249.358 2.863 20 0 BFADLO C[C@@H](CCO)CNc1ccc2ccccc2[nH+]1 ZINC000097442911 384523359 /nfs/dbraw/zinc/52/33/59/384523359.db2.gz PFEVOPAWULVKJM-NSHDSACASA-N 1 2 230.311 2.665 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000049368627 384533199 /nfs/dbraw/zinc/53/31/99/384533199.db2.gz FXVDQSWYPJSJBF-YPMHNXCESA-N 1 2 235.327 2.679 20 0 BFADLO CCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714589 384555749 /nfs/dbraw/zinc/55/57/49/384555749.db2.gz JWUKSEJLDWFFNV-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO Cc1c[nH+]c(CNc2cccc(C)c2)n1C ZINC000309727798 384559190 /nfs/dbraw/zinc/55/91/90/384559190.db2.gz YOACYWLUJIKBER-UHFFFAOYSA-N 1 2 215.300 2.649 20 0 BFADLO C[C@@H](NCc1[nH]cc[nH+]1)c1c(F)cccc1F ZINC000049715517 384560128 /nfs/dbraw/zinc/56/01/28/384560128.db2.gz LZHSWJJVPZUQQL-MRVPVSSYSA-N 1 2 237.253 2.539 20 0 BFADLO CSc1ccccc1NCc1[nH+]ccn1C ZINC000049773355 384563353 /nfs/dbraw/zinc/56/33/53/384563353.db2.gz OYVCMVLGSVTBKD-UHFFFAOYSA-N 1 2 233.340 2.754 20 0 BFADLO CC[C@H](NC(=O)CCC(C)(C)C)c1[nH]cc[nH+]1 ZINC000301942620 384537594 /nfs/dbraw/zinc/53/75/94/384537594.db2.gz DQDNSIWOLBHAKR-JTQLQIEISA-N 1 2 237.347 2.803 20 0 BFADLO CCC1(CC)[C@H](Nc2cc[nH+]c(C)n2)C[C@@H]1OC ZINC000151436793 384578639 /nfs/dbraw/zinc/57/86/39/384578639.db2.gz BXABFPBYFWGDCZ-NEPJUHHUSA-N 1 2 249.358 2.791 20 0 BFADLO CC[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000331045288 384581679 /nfs/dbraw/zinc/58/16/79/384581679.db2.gz TVECIMUDQOLGGA-WOPDTQHZSA-N 1 2 249.358 2.803 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000097988456 384582084 /nfs/dbraw/zinc/58/20/84/384582084.db2.gz VXXHYHVEVNBICO-VXGBXAGGSA-N 1 2 235.327 2.516 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@@]2(C)CCCO2)c[nH+]1 ZINC000309762179 384590024 /nfs/dbraw/zinc/59/00/24/384590024.db2.gz IYJGMBWVKGTEME-WCQYABFASA-N 1 2 220.316 2.760 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2ccon2)sc1C ZINC000309788037 384608034 /nfs/dbraw/zinc/60/80/34/384608034.db2.gz ONNHXQUXNLXNLN-QMMMGPOBSA-N 1 2 237.328 2.599 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1nccs1 ZINC000309797716 384611436 /nfs/dbraw/zinc/61/14/36/384611436.db2.gz QNXXXIYDIXBUAE-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccon1 ZINC000172656412 384615070 /nfs/dbraw/zinc/61/50/70/384615070.db2.gz QLYONHHDTRASPJ-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccon1 ZINC000172656412 384615079 /nfs/dbraw/zinc/61/50/79/384615079.db2.gz QLYONHHDTRASPJ-LLVKDONJSA-N 1 2 228.295 2.794 20 0 BFADLO c1cc(C[NH2+]Cc2cccc3ccccc32)[nH]n1 ZINC000041013782 384600121 /nfs/dbraw/zinc/60/01/21/384600121.db2.gz UXSUYXWOFXJATJ-UHFFFAOYSA-N 1 2 237.306 2.853 20 0 BFADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC[C@@H]1C ZINC000162698391 384668295 /nfs/dbraw/zinc/66/82/95/384668295.db2.gz KABXDQYWUZCSSP-QWRGUYRKSA-N 1 2 231.343 2.836 20 0 BFADLO C[C@H]([NH2+]CC(F)(F)CO)c1cccc(Cl)c1 ZINC000184715803 384640716 /nfs/dbraw/zinc/64/07/16/384640716.db2.gz QGBSGOMHKWIAMX-QMMMGPOBSA-N 1 2 249.688 2.618 20 0 BFADLO c1csc(C[NH2+][C@@H]2CCCc3occc32)n1 ZINC000082394201 384679581 /nfs/dbraw/zinc/67/95/81/384679581.db2.gz PCXGDTSEUYRNTA-SNVBAGLBSA-N 1 2 234.324 2.903 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000049367623 384680545 /nfs/dbraw/zinc/68/05/45/384680545.db2.gz IOBPMZHHZXXSDV-NWDGAFQWSA-N 1 2 249.354 2.851 20 0 BFADLO COc1cc[nH+]cc1NC(=O)/C=C\C1CCCC1 ZINC000493640951 533085842 /nfs/dbraw/zinc/08/58/42/533085842.db2.gz APYREINVXRNQGF-SREVYHEPSA-N 1 2 246.310 2.775 20 0 BFADLO c1ccc(N2CC[C@@H](Cc3ccncc3)C2)[nH+]c1 ZINC000363696655 384701637 /nfs/dbraw/zinc/70/16/37/384701637.db2.gz GIYWVIUFQDENIH-AWEZNQCLSA-N 1 2 239.322 2.546 20 0 BFADLO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(F)(F)F ZINC000309666567 384705141 /nfs/dbraw/zinc/70/51/41/384705141.db2.gz UKMPAMBGTQWFAV-AEJSXWLSSA-N 1 2 239.281 2.732 20 0 BFADLO CCc1ccccc1C[NH2+][C@H](C(=O)OC)C(C)C ZINC000052200902 384709337 /nfs/dbraw/zinc/70/93/37/384709337.db2.gz BXDQMKSBSMVIGR-AWEZNQCLSA-N 1 2 249.354 2.536 20 0 BFADLO CSc1ccc(N[C@@H](C)[C@@H]2CCCO2)[nH+]c1 ZINC000309922687 384719830 /nfs/dbraw/zinc/71/98/30/384719830.db2.gz SZOAXIXDIBXEGM-ONGXEEELSA-N 1 2 238.356 2.783 20 0 BFADLO Cc1cc[nH+]c(N[C@@H]2C[C@H](O)C2(C)C)c1Cl ZINC000309688703 384731487 /nfs/dbraw/zinc/73/14/87/384731487.db2.gz IHQXBLVYDNFJJV-BDAKNGLRSA-N 1 2 240.734 2.615 20 0 BFADLO CCN(CCCn1cc[nH+]c1)c1ccccc1 ZINC000145525276 384778919 /nfs/dbraw/zinc/77/89/19/384778919.db2.gz WRCHUJJDQWCXDZ-UHFFFAOYSA-N 1 2 229.327 2.800 20 0 BFADLO Fc1cc(F)c(C[NH+]2CCSCC2)cc1F ZINC000126233018 384779042 /nfs/dbraw/zinc/77/90/42/384779042.db2.gz LQAIDWPAHXWCKT-UHFFFAOYSA-N 1 2 247.285 2.653 20 0 BFADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)c(F)c1 ZINC000335953926 384737219 /nfs/dbraw/zinc/73/72/19/384737219.db2.gz IVAKIHOXKCAPEJ-GFCCVEGCSA-N 1 2 231.274 2.888 20 0 BFADLO Cc1cnc(Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000174090346 384753185 /nfs/dbraw/zinc/75/31/85/384753185.db2.gz CVBXZIINRAGMRV-UHFFFAOYSA-N 1 2 241.294 2.998 20 0 BFADLO COC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000174102846 384755722 /nfs/dbraw/zinc/75/57/22/384755722.db2.gz HUBDENNWZNJGGB-NEPJUHHUSA-N 1 2 235.327 2.516 20 0 BFADLO COC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000174102872 384756189 /nfs/dbraw/zinc/75/61/89/384756189.db2.gz HUBDENNWZNJGGB-VXGBXAGGSA-N 1 2 235.327 2.516 20 0 BFADLO CCCc1csc(C[NH2+]Cc2ccoc2)n1 ZINC000309980426 384757552 /nfs/dbraw/zinc/75/75/52/384757552.db2.gz VWSVGGGBTWHWOI-UHFFFAOYSA-N 1 2 236.340 2.978 20 0 BFADLO COC[C@@H](C)Nc1ccc([NH+](C)C)cc1C ZINC000053173118 384768997 /nfs/dbraw/zinc/76/89/97/384768997.db2.gz HVKRDKDOWFZSKF-LLVKDONJSA-N 1 2 222.332 2.508 20 0 BFADLO CCC1(C)C[NH+](Cc2cccnc2Cl)C1 ZINC000297503288 384833963 /nfs/dbraw/zinc/83/39/63/384833963.db2.gz WGUOMNBWWXBAJQ-UHFFFAOYSA-N 1 2 224.735 2.967 20 0 BFADLO CCCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301293884 384871238 /nfs/dbraw/zinc/87/12/38/384871238.db2.gz QRTFLRPHAOIPBB-UHFFFAOYSA-N 1 2 220.320 2.511 20 0 BFADLO CCCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301293884 384871251 /nfs/dbraw/zinc/87/12/51/384871251.db2.gz QRTFLRPHAOIPBB-UHFFFAOYSA-N 1 2 220.320 2.511 20 0 BFADLO CCC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301513971 384889528 /nfs/dbraw/zinc/88/95/28/384889528.db2.gz BLQZNXUGASAFEO-UHFFFAOYSA-N 1 2 217.316 2.956 20 0 BFADLO CC(C)[C@H]([NH2+][C@H](C)C1CC1)C(F)(F)F ZINC000308649153 384890211 /nfs/dbraw/zinc/89/02/11/384890211.db2.gz JJLDBUPQERETCO-APPZFPTMSA-N 1 2 209.255 2.961 20 0 BFADLO FC(F)(F)CC[N@@H+](Cc1ccon1)CC1CC1 ZINC000084137993 384843873 /nfs/dbraw/zinc/84/38/73/384843873.db2.gz AUSLZVKFJMNAQR-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)CC[N@H+](Cc1ccon1)CC1CC1 ZINC000084137993 384843881 /nfs/dbraw/zinc/84/38/81/384843881.db2.gz AUSLZVKFJMNAQR-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO CC(C)(C)C[NH2+]c1ccc(OC2COC2)cc1 ZINC000186493348 384848510 /nfs/dbraw/zinc/84/85/10/384848510.db2.gz BFVQVUAATGKFGX-UHFFFAOYSA-N 1 2 235.327 2.922 20 0 BFADLO Cc1nc(N2CCc3ccccc3[C@H]2C)cc[nH+]1 ZINC000175059332 384863848 /nfs/dbraw/zinc/86/38/48/384863848.db2.gz TYNSWEYCQDQMOT-LLVKDONJSA-N 1 2 239.322 2.909 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccoc2C)no1 ZINC000055053554 384866431 /nfs/dbraw/zinc/86/64/31/384866431.db2.gz MBNCQHASSGJGGN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccoc2C)no1 ZINC000055053554 384866435 /nfs/dbraw/zinc/86/64/35/384866435.db2.gz MBNCQHASSGJGGN-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C)c(CCNc2cccc[nH+]2)s1 ZINC000301203392 384868665 /nfs/dbraw/zinc/86/86/65/384868665.db2.gz NRHGQUIOEAPXAF-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO Cc1sccc1C[NH2+][C@H](C)c1csnn1 ZINC000398257652 384869411 /nfs/dbraw/zinc/86/94/11/384869411.db2.gz AEDJIVKPCMACQI-SSDOTTSWSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1ccccc1C[NH2+][C@@H](C)c1csnn1 ZINC000398289950 384891315 /nfs/dbraw/zinc/89/13/15/384891315.db2.gz PBUHRWPVPOGKTL-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)o1 ZINC000398304845 384898276 /nfs/dbraw/zinc/89/82/76/384898276.db2.gz WKMLOGALODEHLU-BDAKNGLRSA-N 1 2 237.328 2.851 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1 ZINC000398307404 384899647 /nfs/dbraw/zinc/89/96/47/384899647.db2.gz XJVPMMOBBVZCQG-JTQLQIEISA-N 1 2 233.340 2.697 20 0 BFADLO CC[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000448836615 384902053 /nfs/dbraw/zinc/90/20/53/384902053.db2.gz QERQYWRDHMOPMP-IJLUTSLNSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000106478705 384920124 /nfs/dbraw/zinc/92/01/24/384920124.db2.gz QJAWZTAYHDVHOP-AWEZNQCLSA-N 1 2 245.301 2.634 20 0 BFADLO Cc1ccc(NCc2c[nH+]cn2C)cc1Cl ZINC000085167659 384923774 /nfs/dbraw/zinc/92/37/74/384923774.db2.gz CRIBWPWIUNRJLW-UHFFFAOYSA-N 1 2 235.718 2.994 20 0 BFADLO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccccn2)n1 ZINC000085161051 384924444 /nfs/dbraw/zinc/92/44/44/384924444.db2.gz AYWSIVQOUCUDRK-LBPRGKRZSA-N 1 2 244.342 2.710 20 0 BFADLO C[C@@H](F)CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000338749653 384946208 /nfs/dbraw/zinc/94/62/08/384946208.db2.gz JMSZZOQPBKLCDP-SSDOTTSWSA-N 1 2 236.212 2.682 20 0 BFADLO CS[C@H](C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000128854075 384965117 /nfs/dbraw/zinc/96/51/17/384965117.db2.gz QAOPFCDURZFHAQ-SECBINFHSA-N 1 2 239.388 2.938 20 0 BFADLO F[C@H]1CCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000306470750 384978044 /nfs/dbraw/zinc/97/80/44/384978044.db2.gz RBONPDSBAPCEEQ-NKWVEPMBSA-N 1 2 234.727 2.777 20 0 BFADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)sn1 ZINC000404458375 385002224 /nfs/dbraw/zinc/00/22/24/385002224.db2.gz MCJLKFMPNMCVNX-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@@H](CCC1CC1)Nc1nc[nH+]c(N)c1Cl ZINC000302855329 385009055 /nfs/dbraw/zinc/00/90/55/385009055.db2.gz RPXFFZHSRRANNP-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H](CCC1CC1)Nc1[nH+]cnc(N)c1Cl ZINC000302855329 385009064 /nfs/dbraw/zinc/00/90/64/385009064.db2.gz RPXFFZHSRRANNP-ZETCQYMHSA-N 1 2 240.738 2.703 20 0 BFADLO Cc1cc(C[NH2+][C@@H](C)c2cscn2)sn1 ZINC000404280371 384964439 /nfs/dbraw/zinc/96/44/39/384964439.db2.gz DSMIYWHOGCNEBR-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO CC(C)[C@H](C)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188645796 385076184 /nfs/dbraw/zinc/07/61/84/385076184.db2.gz DKOIITYDKALEPQ-NSHDSACASA-N 1 2 235.327 2.921 20 0 BFADLO Cc1csc(CNc2c[nH+]cc(C)c2)n1 ZINC000119582727 385131361 /nfs/dbraw/zinc/13/13/61/385131361.db2.gz VASMCMWGFOYRMH-UHFFFAOYSA-N 1 2 219.313 2.767 20 0 BFADLO Nc1ccc(NC(=O)CCC2CCCC2)c[nH+]1 ZINC000061680456 385132365 /nfs/dbraw/zinc/13/23/65/385132365.db2.gz GNXAHVLTYCRQOD-UHFFFAOYSA-N 1 2 233.315 2.573 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716978 385135910 /nfs/dbraw/zinc/13/59/10/385135910.db2.gz KHNOGEICOOTVBM-CABCVRRESA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)cc1 ZINC000644716978 385135914 /nfs/dbraw/zinc/13/59/14/385135914.db2.gz KHNOGEICOOTVBM-CABCVRRESA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716981 385136717 /nfs/dbraw/zinc/13/67/17/385136717.db2.gz KHNOGEICOOTVBM-LSDHHAIUSA-N 1 2 245.366 2.957 20 0 BFADLO CC(C)(C)c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000644716981 385136719 /nfs/dbraw/zinc/13/67/19/385136719.db2.gz KHNOGEICOOTVBM-LSDHHAIUSA-N 1 2 245.366 2.957 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccsc2)no1 ZINC000061800622 385138292 /nfs/dbraw/zinc/13/82/92/385138292.db2.gz UNRNCVQCUBBCEH-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccsc2)no1 ZINC000061800622 385138299 /nfs/dbraw/zinc/13/82/99/385138299.db2.gz UNRNCVQCUBBCEH-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1ccc(NC(=O)N[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000176738030 385140285 /nfs/dbraw/zinc/14/02/85/385140285.db2.gz WWUMYQADVULXIC-LBPRGKRZSA-N 1 2 245.326 2.929 20 0 BFADLO CSCC[N@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000151149084 385090942 /nfs/dbraw/zinc/09/09/42/385090942.db2.gz NCUDSQMRMIDRDP-SECBINFHSA-N 1 2 243.376 2.549 20 0 BFADLO CSCC[N@@H+](C)[C@H](C)c1nc(C(C)C)no1 ZINC000151149084 385090947 /nfs/dbraw/zinc/09/09/47/385090947.db2.gz NCUDSQMRMIDRDP-SECBINFHSA-N 1 2 243.376 2.549 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2cccnc2)n1 ZINC000152037986 385147736 /nfs/dbraw/zinc/14/77/36/385147736.db2.gz LHUKOIPHWAVLTE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000152037986 385147740 /nfs/dbraw/zinc/14/77/40/385147740.db2.gz LHUKOIPHWAVLTE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO c1c[nH+]c([C@H]2CCCCN2Cc2cccnc2)[nH]1 ZINC000152037986 385147746 /nfs/dbraw/zinc/14/77/46/385147746.db2.gz LHUKOIPHWAVLTE-CYBMUJFWSA-N 1 2 242.326 2.532 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccccn1 ZINC000294148988 385165598 /nfs/dbraw/zinc/16/55/98/385165598.db2.gz PWUARTKWOWCURF-GVXVVHGQSA-N 1 2 242.326 2.635 20 0 BFADLO Cc1nc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)oc1C ZINC000289658848 385207330 /nfs/dbraw/zinc/20/73/30/385207330.db2.gz FGOZLVUVJXZRBP-MRVPVSSYSA-N 1 2 244.285 2.769 20 0 BFADLO Cc1nc(C[N@H+]2CCC(F)(F)[C@H](C)C2)oc1C ZINC000289658848 385207336 /nfs/dbraw/zinc/20/73/36/385207336.db2.gz FGOZLVUVJXZRBP-MRVPVSSYSA-N 1 2 244.285 2.769 20 0 BFADLO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110111089 385212597 /nfs/dbraw/zinc/21/25/97/385212597.db2.gz NSHSORVPJSPIBY-GHMZBOCLSA-N 1 2 231.343 2.836 20 0 BFADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000448959748 385216605 /nfs/dbraw/zinc/21/66/05/385216605.db2.gz AHUDWNZNNCITGO-YPMHNXCESA-N 1 2 232.327 2.577 20 0 BFADLO Fc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000308860825 385222854 /nfs/dbraw/zinc/22/28/54/385222854.db2.gz BFRZEXYJXZOSBW-UHFFFAOYSA-N 1 2 215.218 2.713 20 0 BFADLO c1csc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000033446293 385235195 /nfs/dbraw/zinc/23/51/95/385235195.db2.gz BLHGGCKYJYKFCU-UHFFFAOYSA-N 1 2 230.336 2.701 20 0 BFADLO c1csc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000033446293 385235204 /nfs/dbraw/zinc/23/52/04/385235204.db2.gz BLHGGCKYJYKFCU-UHFFFAOYSA-N 1 2 230.336 2.701 20 0 BFADLO CC(C)c1nc(N(C)CC2CCC2)cc[nH+]1 ZINC000110600663 385249455 /nfs/dbraw/zinc/24/94/55/385249455.db2.gz HJCVIEDYDFYGQW-UHFFFAOYSA-N 1 2 219.332 2.836 20 0 BFADLO C[N@H+](Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC000178594458 385304287 /nfs/dbraw/zinc/30/42/87/385304287.db2.gz XBFMRIDWWOIUGO-UHFFFAOYSA-N 1 2 236.262 2.756 20 0 BFADLO C[N@@H+](Cc1nc(C(F)(F)F)cs1)C1CC1 ZINC000178594458 385304290 /nfs/dbraw/zinc/30/42/90/385304290.db2.gz XBFMRIDWWOIUGO-UHFFFAOYSA-N 1 2 236.262 2.756 20 0 BFADLO CSc1ccc(N[C@@H]2CCOC[C@@H]2C)[nH+]c1 ZINC000280436088 385310386 /nfs/dbraw/zinc/31/03/86/385310386.db2.gz XWDNGRRHICQYQB-GXSJLCMTSA-N 1 2 238.356 2.640 20 0 BFADLO CC[N@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000045619196 385270697 /nfs/dbraw/zinc/27/06/97/385270697.db2.gz VNYISBYXYGELSM-GFCCVEGCSA-N 1 2 207.317 2.674 20 0 BFADLO CC[N@@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000045619196 385270699 /nfs/dbraw/zinc/27/06/99/385270699.db2.gz VNYISBYXYGELSM-GFCCVEGCSA-N 1 2 207.317 2.674 20 0 BFADLO Cc1ccc(NC(=O)NC(C)(C)C)c(C)[nH+]1 ZINC000130872576 385290408 /nfs/dbraw/zinc/29/04/08/385290408.db2.gz WSXRXXQRMMECOC-UHFFFAOYSA-N 1 2 221.304 2.618 20 0 BFADLO FC(F)(F)CC[N@@H+](Cc1cocn1)CC1CC1 ZINC000191949806 385337176 /nfs/dbraw/zinc/33/71/76/385337176.db2.gz KRNROFKCJACNAM-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO FC(F)(F)CC[N@H+](Cc1cocn1)CC1CC1 ZINC000191949806 385337179 /nfs/dbraw/zinc/33/71/79/385337179.db2.gz KRNROFKCJACNAM-UHFFFAOYSA-N 1 2 248.248 2.839 20 0 BFADLO CC(C)(C)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000192284899 385350867 /nfs/dbraw/zinc/35/08/67/385350867.db2.gz QRSKIWMMFUJIFG-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO CC(C)(C)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000192284899 385350869 /nfs/dbraw/zinc/35/08/69/385350869.db2.gz QRSKIWMMFUJIFG-UHFFFAOYSA-N 1 2 234.347 2.535 20 0 BFADLO COC(=O)C[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000131690118 385354120 /nfs/dbraw/zinc/35/41/20/385354120.db2.gz PYRLRALPUPTCGB-VIFPVBQESA-N 1 2 249.335 2.725 20 0 BFADLO CC[C@H]([NH2+]C[C@H](C)c1ccc(C)cc1)C(=O)OC ZINC000192850785 385374862 /nfs/dbraw/zinc/37/48/62/385374862.db2.gz HCJSJPPDYQMMCL-JSGCOSHPSA-N 1 2 249.354 2.640 20 0 BFADLO Cc1cc[nH+]c(N[C@@H](C)C[C@H](C)O)c1Cl ZINC000309026615 385377571 /nfs/dbraw/zinc/37/75/71/385377571.db2.gz BALPIDXNXXILMS-IUCAKERBSA-N 1 2 228.723 2.615 20 0 BFADLO Cc1cc[nH+]c(N[C@H](C)C[C@@H](C)O)c1Cl ZINC000309026616 385377756 /nfs/dbraw/zinc/37/77/56/385377756.db2.gz BALPIDXNXXILMS-RKDXNWHRSA-N 1 2 228.723 2.615 20 0 BFADLO c1coc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110110624 385380694 /nfs/dbraw/zinc/38/06/94/385380694.db2.gz FZCDSQMEJFJZLA-UHFFFAOYSA-N 1 2 215.256 2.559 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000155980127 385424207 /nfs/dbraw/zinc/42/42/07/385424207.db2.gz HJTPNQXBYXVGMO-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000155980127 385424212 /nfs/dbraw/zinc/42/42/12/385424212.db2.gz HJTPNQXBYXVGMO-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(F)ccc1F ZINC000178591186 385396435 /nfs/dbraw/zinc/39/64/35/385396435.db2.gz CNVBHGGHOAGPAV-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(F)ccc1F ZINC000178591186 385396436 /nfs/dbraw/zinc/39/64/36/385396436.db2.gz CNVBHGGHOAGPAV-ZJUUUORDSA-N 1 2 241.281 2.574 20 0 BFADLO C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000169057222 385403153 /nfs/dbraw/zinc/40/31/53/385403153.db2.gz HBQQREIZCQFDBF-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1F ZINC000169057222 385403156 /nfs/dbraw/zinc/40/31/56/385403156.db2.gz HBQQREIZCQFDBF-UHFFFAOYSA-N 1 2 249.285 2.543 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1F ZINC000449036314 385444219 /nfs/dbraw/zinc/44/42/19/385444219.db2.gz SVLSHJCTETUJPU-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1F ZINC000449036314 385444223 /nfs/dbraw/zinc/44/42/23/385444223.db2.gz SVLSHJCTETUJPU-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO C=Cn1cc(C[NH2+][C@@H](C)c2nc(C)cs2)cn1 ZINC000194353720 385431603 /nfs/dbraw/zinc/43/16/03/385431603.db2.gz LPUVCXXMCNPGFQ-JTQLQIEISA-N 1 2 248.355 2.599 20 0 BFADLO CC(C)([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000179574491 385473191 /nfs/dbraw/zinc/47/31/91/385473191.db2.gz YTUXSGQUMDRKEH-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccco1 ZINC000179567749 385474359 /nfs/dbraw/zinc/47/43/59/385474359.db2.gz QPDWSRWLHMDJGU-LLVKDONJSA-N 1 2 216.284 2.658 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccco1 ZINC000179567749 385474360 /nfs/dbraw/zinc/47/43/60/385474360.db2.gz QPDWSRWLHMDJGU-LLVKDONJSA-N 1 2 216.284 2.658 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@@H]1CC=CCC1 ZINC000092965861 385483215 /nfs/dbraw/zinc/48/32/15/385483215.db2.gz WJPLTDOVKRMAAS-LLVKDONJSA-N 1 2 233.302 2.556 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@@H]1CC=CCC1 ZINC000092965861 385483222 /nfs/dbraw/zinc/48/32/22/385483222.db2.gz WJPLTDOVKRMAAS-LLVKDONJSA-N 1 2 233.302 2.556 20 0 BFADLO CS[C@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000179384450 385463274 /nfs/dbraw/zinc/46/32/74/385463274.db2.gz QFHQRTHPZXWYMW-SECBINFHSA-N 1 2 238.356 2.779 20 0 BFADLO C[C@@H](C[C@H]1CCCO1)Nc1cc[nH+]c(C2CC2)n1 ZINC000110484468 385493399 /nfs/dbraw/zinc/49/33/99/385493399.db2.gz VTKNNVUHXCZHST-CMPLNLGQSA-N 1 2 247.342 2.724 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)no1 ZINC000111239675 385496451 /nfs/dbraw/zinc/49/64/51/385496451.db2.gz WEMHANHUTAKGEE-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)no1 ZINC000111239675 385496457 /nfs/dbraw/zinc/49/64/57/385496457.db2.gz WEMHANHUTAKGEE-LLVKDONJSA-N 1 2 246.310 2.882 20 0 BFADLO CC(C)CSCCCOCc1[nH]cc[nH+]1 ZINC000180046827 385504895 /nfs/dbraw/zinc/50/48/95/385504895.db2.gz HISNSLRUNCJSCU-UHFFFAOYSA-N 1 2 228.361 2.706 20 0 BFADLO CSc1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000334303457 385535085 /nfs/dbraw/zinc/53/50/85/385535085.db2.gz FOISOVVHHSRKFR-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO CSc1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000334303457 385535088 /nfs/dbraw/zinc/53/50/88/385535088.db2.gz FOISOVVHHSRKFR-UHFFFAOYSA-N 1 2 249.379 2.773 20 0 BFADLO COCC(C)(C)CNc1cc2cc[nH]c2c[nH+]1 ZINC000644139856 385524037 /nfs/dbraw/zinc/52/40/37/385524037.db2.gz RMARWGGCGLXKRG-UHFFFAOYSA-N 1 2 233.315 2.647 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000181366051 385574156 /nfs/dbraw/zinc/57/41/56/385574156.db2.gz RRXUBMVFLNGYOV-NSHDSACASA-N 1 2 216.284 2.834 20 0 BFADLO CC(C)c1nc(C[NH+]2[C@H](C)CCC[C@H]2C)no1 ZINC000066531808 385568880 /nfs/dbraw/zinc/56/88/80/385568880.db2.gz ZDLJZXWMWCWNHF-GHMZBOCLSA-N 1 2 237.347 2.956 20 0 BFADLO CCc1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)o1 ZINC000353331161 385602499 /nfs/dbraw/zinc/60/24/99/385602499.db2.gz SUMIJXQHVJXSQN-ZDUSSCGKSA-N 1 2 248.370 2.511 20 0 BFADLO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)o1 ZINC000353331161 385602502 /nfs/dbraw/zinc/60/25/02/385602502.db2.gz SUMIJXQHVJXSQN-ZDUSSCGKSA-N 1 2 248.370 2.511 20 0 BFADLO Cc1[nH+]c(-c2ccncc2)nc(NCCF)c1C ZINC000280780233 385604026 /nfs/dbraw/zinc/60/40/26/385604026.db2.gz PHJNLJJHTFJLFY-UHFFFAOYSA-N 1 2 246.289 2.537 20 0 BFADLO CCCn1c(C)nnc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000280779539 385605064 /nfs/dbraw/zinc/60/50/64/385605064.db2.gz PXXATAXMDIHHCO-UHFFFAOYSA-N 1 2 248.374 2.539 20 0 BFADLO CCCn1c(C)nnc1C[N@H+]1CCC(C)=C(C)C1 ZINC000280779539 385605067 /nfs/dbraw/zinc/60/50/67/385605067.db2.gz PXXATAXMDIHHCO-UHFFFAOYSA-N 1 2 248.374 2.539 20 0 BFADLO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccccn1 ZINC000181795148 385605224 /nfs/dbraw/zinc/60/52/24/385605224.db2.gz VDVMOCYEVARXEN-GFCCVEGCSA-N 1 2 244.342 2.710 20 0 BFADLO CC(C)c1nc(C[NH+]2CCCCCC2)no1 ZINC000053602148 385637316 /nfs/dbraw/zinc/63/73/16/385637316.db2.gz PUMCCGGBBVIYPQ-UHFFFAOYSA-N 1 2 223.320 2.569 20 0 BFADLO CCCCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337422034 385653234 /nfs/dbraw/zinc/65/32/34/385653234.db2.gz VEILUAKBLQJYJR-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CCCCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337422034 385653236 /nfs/dbraw/zinc/65/32/36/385653236.db2.gz VEILUAKBLQJYJR-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)c2nccn21 ZINC000293574991 385653496 /nfs/dbraw/zinc/65/34/96/385653496.db2.gz AFLJSKGAVTXXGO-MFKMUULPSA-N 1 2 245.301 2.818 20 0 BFADLO CSCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337425749 385655834 /nfs/dbraw/zinc/65/58/34/385655834.db2.gz WQTFDVYGIFITBS-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CSCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337425749 385655837 /nfs/dbraw/zinc/65/58/37/385655837.db2.gz WQTFDVYGIFITBS-SECBINFHSA-N 1 2 223.332 2.859 20 0 BFADLO CCOCCSCc1cc(OC)cc(C)[nH+]1 ZINC000270121175 385672078 /nfs/dbraw/zinc/67/20/78/385672078.db2.gz JZIABGWWXOYREJ-UHFFFAOYSA-N 1 2 241.356 2.668 20 0 BFADLO CC(C)c1nc(N2CC3(C2)CCCC3)cc[nH+]1 ZINC000365057031 385674738 /nfs/dbraw/zinc/67/47/38/385674738.db2.gz URIMRBQDHDDBOI-UHFFFAOYSA-N 1 2 231.343 2.980 20 0 BFADLO CC(C)c1nc(N[C@H]2CSC[C@H]2C)cc[nH+]1 ZINC000309549226 385681180 /nfs/dbraw/zinc/68/11/80/385681180.db2.gz HPJKQGZIZFSKKA-ZJUUUORDSA-N 1 2 237.372 2.763 20 0 BFADLO F[C@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000309546354 385681668 /nfs/dbraw/zinc/68/16/68/385681668.db2.gz BVHKPEIDDVLEKX-VHSXEESVSA-N 1 2 221.279 2.657 20 0 BFADLO Cc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)on1 ZINC000270220698 385687270 /nfs/dbraw/zinc/68/72/70/385687270.db2.gz SBSSGMJRZYRETN-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO Cc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)on1 ZINC000270220698 385687274 /nfs/dbraw/zinc/68/72/74/385687274.db2.gz SBSSGMJRZYRETN-UHFFFAOYSA-N 1 2 246.232 2.677 20 0 BFADLO C[C@@H]1Cc2ccccc2N1CCCn1cc[nH+]c1 ZINC000182623747 385689831 /nfs/dbraw/zinc/68/98/31/385689831.db2.gz VZFSRDGZXUWULY-CYBMUJFWSA-N 1 2 241.338 2.724 20 0 BFADLO C[C@H]([NH2+]Cc1csc(C2CC2)n1)c1cn[nH]c1 ZINC000270278983 385692040 /nfs/dbraw/zinc/69/20/40/385692040.db2.gz ZARMUTKBSSTTTE-QMMMGPOBSA-N 1 2 248.355 2.594 20 0 BFADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(CO)c1 ZINC000337541740 385704391 /nfs/dbraw/zinc/70/43/91/385704391.db2.gz IXXKNNMAKXRABS-SECBINFHSA-N 1 2 241.281 2.627 20 0 BFADLO CC(C)(C)C1=CC[N@H+](Cc2ncc[nH]2)CC1 ZINC000270386341 385704404 /nfs/dbraw/zinc/70/44/04/385704404.db2.gz RGCJCMJVHSGNJT-UHFFFAOYSA-N 1 2 219.332 2.588 20 0 BFADLO CC(C)(C)C1=CC[N@@H+](Cc2ncc[nH]2)CC1 ZINC000270386341 385704406 /nfs/dbraw/zinc/70/44/06/385704406.db2.gz RGCJCMJVHSGNJT-UHFFFAOYSA-N 1 2 219.332 2.588 20 0 BFADLO CCC1C[NH+](Cc2ccc(Br)o2)C1 ZINC000307570262 385705819 /nfs/dbraw/zinc/70/58/19/385705819.db2.gz ZICGQVLMNYCSGJ-UHFFFAOYSA-N 1 2 244.132 2.884 20 0 BFADLO CCc1ccc(OCc2c[nH+]cn2C)c(OC)c1 ZINC000270524866 385715407 /nfs/dbraw/zinc/71/54/07/385715407.db2.gz SMPFTNHDYLWNLX-UHFFFAOYSA-N 1 2 246.310 2.570 20 0 BFADLO CCN(CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000183188277 385739322 /nfs/dbraw/zinc/73/93/22/385739322.db2.gz URPUOSNWCLKNPA-UHFFFAOYSA-N 1 2 247.317 2.939 20 0 BFADLO CC[C@H]([NH2+]CC(F)(F)CO)c1cccc(C)c1 ZINC000336699321 385755214 /nfs/dbraw/zinc/75/52/14/385755214.db2.gz KGCRVBHDAOOEGN-LBPRGKRZSA-N 1 2 243.297 2.663 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccsc1 ZINC000282556572 385770749 /nfs/dbraw/zinc/77/07/49/385770749.db2.gz SZZHUOYYVNMIEX-MRVPVSSYSA-N 1 2 248.355 2.594 20 0 BFADLO c1coc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271029805 385772627 /nfs/dbraw/zinc/77/26/27/385772627.db2.gz GETBOOISRFLUHE-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO c1coc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000271029805 385772630 /nfs/dbraw/zinc/77/26/30/385772630.db2.gz GETBOOISRFLUHE-OAHLLOKOSA-N 1 2 243.306 2.853 20 0 BFADLO CC[N@H+](Cc1ccccc1OC(C)C)C1COC1 ZINC000451289287 385773803 /nfs/dbraw/zinc/77/38/03/385773803.db2.gz VLLQXRQPSBUNNX-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CC[N@@H+](Cc1ccccc1OC(C)C)C1COC1 ZINC000451289287 385773808 /nfs/dbraw/zinc/77/38/08/385773808.db2.gz VLLQXRQPSBUNNX-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO CCN(CC)c1ccc(NC[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000488426945 385779088 /nfs/dbraw/zinc/77/90/88/385779088.db2.gz IWQQLPQYUCEJIU-RYUDHWBXSA-N 1 2 233.359 2.996 20 0 BFADLO Cc1nc(N2CC(C)(C)[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000293980657 385779176 /nfs/dbraw/zinc/77/91/76/385779176.db2.gz IJKSLQOJCUEWPP-NWDGAFQWSA-N 1 2 231.343 2.800 20 0 BFADLO CC[C@H]([NH2+]Cc1cc(C)no1)c1nccs1 ZINC000185085221 385718953 /nfs/dbraw/zinc/71/89/53/385718953.db2.gz NVQIZRQDURELTB-JTQLQIEISA-N 1 2 237.328 2.680 20 0 BFADLO Cc1cc[nH+]c(NCC[C@H](O)C(C)C)c1Cl ZINC000309668712 385785146 /nfs/dbraw/zinc/78/51/46/385785146.db2.gz IVIWYYGHKKEDHZ-JTQLQIEISA-N 1 2 242.750 2.862 20 0 BFADLO CC1(C)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000270563091 385720496 /nfs/dbraw/zinc/72/04/96/385720496.db2.gz KOABCJLSZWVVOU-UHFFFAOYSA-N 1 2 215.300 2.799 20 0 BFADLO COC(=O)[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000231664871 385812175 /nfs/dbraw/zinc/81/21/75/385812175.db2.gz YWKMGVFWFWUWGL-TZMCWYRMSA-N 1 2 249.354 2.577 20 0 BFADLO C[N@H+](CCSC(C)(C)C)Cc1ccon1 ZINC000284251590 385857123 /nfs/dbraw/zinc/85/71/23/385857123.db2.gz CSNFYOPFFUGHDR-UHFFFAOYSA-N 1 2 228.361 2.638 20 0 BFADLO C[N@@H+](CCSC(C)(C)C)Cc1ccon1 ZINC000284251590 385857124 /nfs/dbraw/zinc/85/71/24/385857124.db2.gz CSNFYOPFFUGHDR-UHFFFAOYSA-N 1 2 228.361 2.638 20 0 BFADLO c1ccc(N[C@H]2CCCC23CCOCC3)[nH+]c1 ZINC000283549430 385822361 /nfs/dbraw/zinc/82/23/61/385822361.db2.gz OXUWVWUZVJLGNI-LBPRGKRZSA-N 1 2 232.327 2.843 20 0 BFADLO CSCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000283575284 385822458 /nfs/dbraw/zinc/82/24/58/385822458.db2.gz QRUAGHRFSUBLIZ-UHFFFAOYSA-N 1 2 238.356 2.718 20 0 BFADLO CCOCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000284227630 385857604 /nfs/dbraw/zinc/85/76/04/385857604.db2.gz KBVJRONBHQDQMP-JTQLQIEISA-N 1 2 242.750 2.555 20 0 BFADLO CCOCC[N@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000284227630 385857610 /nfs/dbraw/zinc/85/76/10/385857610.db2.gz KBVJRONBHQDQMP-JTQLQIEISA-N 1 2 242.750 2.555 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)NCCC1CCCCC1 ZINC000283592403 385825164 /nfs/dbraw/zinc/82/51/64/385825164.db2.gz XMXSUZJFOUPAQM-VOTSOKGWSA-N 1 2 247.342 2.510 20 0 BFADLO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000271425614 385827500 /nfs/dbraw/zinc/82/75/00/385827500.db2.gz MZVQGYMBGNTDLQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000271425614 385827504 /nfs/dbraw/zinc/82/75/04/385827504.db2.gz MZVQGYMBGNTDLQ-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccco2)[nH]1 ZINC000271457671 385829795 /nfs/dbraw/zinc/82/97/95/385829795.db2.gz GVXMCHJYRMWCGT-VHSXEESVSA-N 1 2 248.330 2.933 20 0 BFADLO C[C@@H](CCC(C)(C)C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283868165 385836576 /nfs/dbraw/zinc/83/65/76/385836576.db2.gz HSXJHKUJFALMFX-QRGHLMKCSA-N 1 2 249.358 2.754 20 0 BFADLO Cc1ccc(NC(=O)[C@@H](C)CC(F)F)c(C)[nH+]1 ZINC000413621257 385850267 /nfs/dbraw/zinc/85/02/67/385850267.db2.gz QOVPUNNUDRKSCU-ZETCQYMHSA-N 1 2 242.269 2.928 20 0 BFADLO FCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292568643 385852588 /nfs/dbraw/zinc/85/25/88/385852588.db2.gz BMTAUJWQCVCRKK-JTQLQIEISA-N 1 2 217.234 2.942 20 0 BFADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(C)c2C)no1 ZINC000183714612 385790333 /nfs/dbraw/zinc/79/03/33/385790333.db2.gz CQVOZBSTVIKEHE-NSHDSACASA-N 1 2 245.326 2.846 20 0 BFADLO Cc1ccc(NC(=O)CSC(F)F)c(C)[nH+]1 ZINC000294809304 385896929 /nfs/dbraw/zinc/89/69/29/385896929.db2.gz BTICRXLZUUGFNE-UHFFFAOYSA-N 1 2 246.282 2.593 20 0 BFADLO Cc1ccc(N[C@H](Cn2cccn2)C(C)C)c[nH+]1 ZINC000285151526 385903479 /nfs/dbraw/zinc/90/34/79/385903479.db2.gz MGFDDPAOKLBDAR-CQSZACIVSA-N 1 2 244.342 2.723 20 0 BFADLO CC[C@@H](NC(=O)CCCC1CC1)c1[nH]cc[nH+]1 ZINC000643244898 385912740 /nfs/dbraw/zinc/91/27/40/385912740.db2.gz NUQURWLRFWOPOM-LLVKDONJSA-N 1 2 235.331 2.557 20 0 BFADLO C[C@H]([NH2+]Cc1ccno1)c1ccc(F)cc1F ZINC000219363974 385930170 /nfs/dbraw/zinc/93/01/70/385930170.db2.gz XJKPYAFDEBBXIU-QMMMGPOBSA-N 1 2 238.237 2.804 20 0 BFADLO CC(C)CC1(C(=O)N[C@H](C)c2[nH]cc[nH+]2)CCC1 ZINC000647808710 385866877 /nfs/dbraw/zinc/86/68/77/385866877.db2.gz BEGKWTKPGYAJLY-LLVKDONJSA-N 1 2 249.358 2.803 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H]1CCCC[C@H]1C ZINC000335040070 385931123 /nfs/dbraw/zinc/93/11/23/385931123.db2.gz BKKXBVQACAQRLW-MNOVXSKESA-N 1 2 248.326 2.855 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)o1 ZINC000414053614 385932959 /nfs/dbraw/zinc/93/29/59/385932959.db2.gz AXIMKRXAAAKMNG-QWRGUYRKSA-N 1 2 233.315 2.733 20 0 BFADLO c1cc([NH2+][C@H]2CCCOCC2)cc2c1NCC2 ZINC000335052681 385951096 /nfs/dbraw/zinc/95/10/96/385951096.db2.gz GDSHDRMFLOAYIX-LBPRGKRZSA-N 1 2 232.327 2.636 20 0 BFADLO c1cc(N[C@H]2CCCOCC2)cc2c1[NH2+]CC2 ZINC000335052681 385951098 /nfs/dbraw/zinc/95/10/98/385951098.db2.gz GDSHDRMFLOAYIX-LBPRGKRZSA-N 1 2 232.327 2.636 20 0 BFADLO Fc1cc2[nH+]cn(CC3CC3)c2cc1F ZINC000123961122 385952775 /nfs/dbraw/zinc/95/27/75/385952775.db2.gz KUHJWPWCOHJOPX-UHFFFAOYSA-N 1 2 208.211 2.725 20 0 BFADLO FC(F)c1ccnc(C[NH2+]Cc2ccccc2)n1 ZINC000342247144 385953093 /nfs/dbraw/zinc/95/30/93/385953093.db2.gz MQYUGKOVCKTUMA-UHFFFAOYSA-N 1 2 249.264 2.704 20 0 BFADLO CC[C@@H](COC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000272956709 385954618 /nfs/dbraw/zinc/95/46/18/385954618.db2.gz ZJBNAYHIUFAKKK-NSHDSACASA-N 1 2 249.358 2.501 20 0 BFADLO Cc1cc(N[C@@H]2C=CCCC2)nc(C2CC2)[nH+]1 ZINC000342205156 385956189 /nfs/dbraw/zinc/95/61/89/385956189.db2.gz FQLWXTZFPSRNJX-GFCCVEGCSA-N 1 2 229.327 2.605 20 0 BFADLO Cc1occc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000335057723 385958696 /nfs/dbraw/zinc/95/86/96/385958696.db2.gz LFXDJUZHPRCGHM-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO Cc1cc(C)c(CNC(=O)[C@H]2CC[C@H](C)C2)c[nH+]1 ZINC000335057626 385958810 /nfs/dbraw/zinc/95/88/10/385958810.db2.gz KEYPVUDPRKMELA-GWCFXTLKSA-N 1 2 246.354 2.751 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCCS1 ZINC000273010135 385961506 /nfs/dbraw/zinc/96/15/06/385961506.db2.gz XAOZOJRHBFXWPM-NSHDSACASA-N 1 2 236.340 2.614 20 0 BFADLO CO[C@@H]1CCC[C@H]1Sc1[nH+]cc2ccccn21 ZINC000273083309 385966163 /nfs/dbraw/zinc/96/61/63/385966163.db2.gz HDEJBVCGLABMMO-VXGBXAGGSA-N 1 2 248.351 2.994 20 0 BFADLO c1ccc(OCCCOc2cc[nH+]cc2)cc1 ZINC000356091177 385994585 /nfs/dbraw/zinc/99/45/85/385994585.db2.gz IAHIYIMQTKHYMQ-UHFFFAOYSA-N 1 2 229.279 2.930 20 0 BFADLO Cc1cc(N[C@H]2C[C@@H](OC(C)(C)C)C2)nc[nH+]1 ZINC000645366242 386002439 /nfs/dbraw/zinc/00/24/39/386002439.db2.gz PHJHJWSNNMHBHV-PHIMTYICSA-N 1 2 235.331 2.543 20 0 BFADLO Cc1nc(C(F)(F)F)c(Cn2cc[nH+]c2)s1 ZINC000273463729 386004109 /nfs/dbraw/zinc/00/41/09/386004109.db2.gz IWDCHZIYXHXSFY-UHFFFAOYSA-N 1 2 247.245 2.715 20 0 BFADLO CC1C[NH+](Cc2csc(C(C)(C)C)n2)C1 ZINC000335069317 386016860 /nfs/dbraw/zinc/01/68/60/386016860.db2.gz PMQJVSBFEATGSZ-UHFFFAOYSA-N 1 2 224.373 2.892 20 0 BFADLO C[NH2+]Cc1noc([C@@H](F)CC2CCCCC2)n1 ZINC000414636442 386019653 /nfs/dbraw/zinc/01/96/53/386019653.db2.gz ALZGANLMILNPMG-JTQLQIEISA-N 1 2 241.310 2.770 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)o1 ZINC000414182535 386022716 /nfs/dbraw/zinc/02/27/16/386022716.db2.gz MSRBWJCJMVXQMJ-SECBINFHSA-N 1 2 234.299 2.989 20 0 BFADLO CC(C)[C@@H](N[C@@H](C)c1[nH+]ccn1C)C(F)(F)F ZINC000345164728 386023105 /nfs/dbraw/zinc/02/31/05/386023105.db2.gz XHHMAYFBKWXJIG-DTWKUNHWSA-N 1 2 249.280 2.658 20 0 BFADLO CC(C)[C@H](N[C@@H](C)c1[nH+]ccn1C)C(F)(F)F ZINC000345164730 386024569 /nfs/dbraw/zinc/02/45/69/386024569.db2.gz XHHMAYFBKWXJIG-IUCAKERBSA-N 1 2 249.280 2.658 20 0 BFADLO CCn1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)n1 ZINC000414204495 386039790 /nfs/dbraw/zinc/03/97/90/386039790.db2.gz GBJLVFVABCNWCH-NSHDSACASA-N 1 2 233.315 2.655 20 0 BFADLO CC[C@H]1CCC[C@]2(C1)[NH2+]C(C)(C)C(=O)N2CC ZINC000414203223 386041107 /nfs/dbraw/zinc/04/11/07/386041107.db2.gz NKZDTUPLPCKCPE-FZMZJTMJSA-N 1 2 238.375 2.513 20 0 BFADLO Cc1noc(C[NH2+][C@H](C)c2ccccc2C)n1 ZINC000037980732 386107039 /nfs/dbraw/zinc/10/70/39/386107039.db2.gz WJFYEVCOFJJXPX-SNVBAGLBSA-N 1 2 231.299 2.537 20 0 BFADLO c1ccc2[nH+]c(N3CCCC4(CC4)C3)[nH]c2c1 ZINC000274474583 386109808 /nfs/dbraw/zinc/10/98/08/386109808.db2.gz MXXFFOXRTNNCIJ-UHFFFAOYSA-N 1 2 227.311 2.943 20 0 BFADLO COc1ccncc1C[N@H+](C)Cc1cccs1 ZINC000287340500 386114850 /nfs/dbraw/zinc/11/48/50/386114850.db2.gz OPJHQZDMLMAIOW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccncc1C[N@@H+](C)Cc1cccs1 ZINC000287340500 386114857 /nfs/dbraw/zinc/11/48/57/386114857.db2.gz OPJHQZDMLMAIOW-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000295590270 386058483 /nfs/dbraw/zinc/05/84/83/386058483.db2.gz BYIRSSCLCHQDLU-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC000295590270 386058486 /nfs/dbraw/zinc/05/84/86/386058486.db2.gz BYIRSSCLCHQDLU-ZDUSSCGKSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1cc(C)c(CNC(=O)C2=CCCCC2)c[nH+]1 ZINC000335056527 386072313 /nfs/dbraw/zinc/07/23/13/386072313.db2.gz GUUOVKGGPJOUJV-UHFFFAOYSA-N 1 2 244.338 2.815 20 0 BFADLO Cc1ccc(N[C@H]2CCOC3(CCC3)C2)c[nH+]1 ZINC000295794486 386088277 /nfs/dbraw/zinc/08/82/77/386088277.db2.gz SGKIDJBTKUGIMW-LBPRGKRZSA-N 1 2 232.327 2.904 20 0 BFADLO CCCCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000295809827 386089183 /nfs/dbraw/zinc/08/91/83/386089183.db2.gz GTKZYLADBFBYSV-LBPRGKRZSA-N 1 2 249.358 2.520 20 0 BFADLO C[C@@H](Nc1cccc[nH+]1)C(=O)Nc1ccccc1 ZINC000075610598 386089178 /nfs/dbraw/zinc/08/91/78/386089178.db2.gz LBRASIYFOPKRFI-LLVKDONJSA-N 1 2 241.294 2.521 20 0 BFADLO CC[C@@H](F)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000440775682 386147843 /nfs/dbraw/zinc/14/78/43/386147843.db2.gz OTXQGINEIVKOPM-GFCCVEGCSA-N 1 2 243.322 2.785 20 0 BFADLO CC[C@@H](F)C[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000440775682 386147850 /nfs/dbraw/zinc/14/78/50/386147850.db2.gz OTXQGINEIVKOPM-GFCCVEGCSA-N 1 2 243.322 2.785 20 0 BFADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)nn1 ZINC000414366089 386152119 /nfs/dbraw/zinc/15/21/19/386152119.db2.gz AYXBCYHNXBJMEQ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)nn1 ZINC000414366089 386152123 /nfs/dbraw/zinc/15/21/23/386152123.db2.gz AYXBCYHNXBJMEQ-NSHDSACASA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@@H+]2CC[C@@](C)(F)C2)c(C)s1 ZINC000334478548 386163743 /nfs/dbraw/zinc/16/37/43/386163743.db2.gz QRXQVAWZXODIPF-LLVKDONJSA-N 1 2 228.336 2.694 20 0 BFADLO Cc1nc(C[N@H+]2CC[C@@](C)(F)C2)c(C)s1 ZINC000334478548 386163750 /nfs/dbraw/zinc/16/37/50/386163750.db2.gz QRXQVAWZXODIPF-LLVKDONJSA-N 1 2 228.336 2.694 20 0 BFADLO CC(C)[C@H](NC(=O)[C@@H]1CCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000338880209 386166546 /nfs/dbraw/zinc/16/65/46/386166546.db2.gz LJUBDUVPZFIFDE-UTUOFQBUSA-N 1 2 249.358 2.659 20 0 BFADLO C[C@@](O)(CCNc1cccc[nH+]1)c1ccccc1 ZINC000275051631 386174273 /nfs/dbraw/zinc/17/42/73/386174273.db2.gz TVNGBPVDVJREHD-OAHLLOKOSA-N 1 2 242.322 2.791 20 0 BFADLO C[C@](O)(CCNc1cccc[nH+]1)c1ccccc1 ZINC000275051629 386174569 /nfs/dbraw/zinc/17/45/69/386174569.db2.gz TVNGBPVDVJREHD-HNNXBMFYSA-N 1 2 242.322 2.791 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263821184 386180495 /nfs/dbraw/zinc/18/04/95/386180495.db2.gz MCVFHKLVTRNMDS-BJMVGYQFSA-N 1 2 243.310 2.938 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cn2)o1 ZINC000345853039 386129659 /nfs/dbraw/zinc/12/96/59/386129659.db2.gz LVMYIEQVSZGFMY-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccc(F)cn2)o1 ZINC000345853039 386129663 /nfs/dbraw/zinc/12/96/63/386129663.db2.gz LVMYIEQVSZGFMY-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@H](O)CCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000340257309 386132627 /nfs/dbraw/zinc/13/26/27/386132627.db2.gz LENJALKEADIAHT-JTQLQIEISA-N 1 2 248.301 2.581 20 0 BFADLO Clc1cccc2c1C[N@H+](CCn1cccn1)C2 ZINC000287558457 386135287 /nfs/dbraw/zinc/13/52/87/386135287.db2.gz WTTGSUAKSIPNGK-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Clc1cccc2c1C[N@@H+](CCn1cccn1)C2 ZINC000287558457 386135293 /nfs/dbraw/zinc/13/52/93/386135293.db2.gz WTTGSUAKSIPNGK-UHFFFAOYSA-N 1 2 247.729 2.552 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CC(C)C1 ZINC000287570097 386135668 /nfs/dbraw/zinc/13/56/68/386135668.db2.gz QDENORMQANGEPL-UHFFFAOYSA-N 1 2 233.315 2.618 20 0 BFADLO CCCCC(=O)NCCCCNc1cccc[nH+]1 ZINC000264194472 386214166 /nfs/dbraw/zinc/21/41/66/386214166.db2.gz RKLDHRTWCHXIAN-UHFFFAOYSA-N 1 2 249.358 2.580 20 0 BFADLO Cc1cc(CNC(=O)[C@@H]2CC23CCC3)cc(C)[nH+]1 ZINC000643318870 386218581 /nfs/dbraw/zinc/21/85/81/386218581.db2.gz ONOVMTVUEVBNAT-ZDUSSCGKSA-N 1 2 244.338 2.505 20 0 BFADLO CSc1ccc(N[C@@H]2CCn3cc[nH+]c32)nc1 ZINC000297079927 386223307 /nfs/dbraw/zinc/22/33/07/386223307.db2.gz WRTWOAUXUOOTLA-SNVBAGLBSA-N 1 2 246.339 2.557 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+]Cc2cscn2)s1 ZINC000125181543 386224781 /nfs/dbraw/zinc/22/47/81/386224781.db2.gz JTAZTZOMNAXSTQ-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1CCOC1CCC1 ZINC000347193612 386258928 /nfs/dbraw/zinc/25/89/28/386258928.db2.gz XCJVDFARMFYYQC-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1CCOC1CCC1 ZINC000347193612 386258934 /nfs/dbraw/zinc/25/89/34/386258934.db2.gz XCJVDFARMFYYQC-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO CC(C)C[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297824524 386282646 /nfs/dbraw/zinc/28/26/46/386282646.db2.gz QEYXMROEULBTGO-LLVKDONJSA-N 1 2 245.326 2.955 20 0 BFADLO Cc1ccncc1CCCNc1cccc[nH+]1 ZINC000289363471 386290410 /nfs/dbraw/zinc/29/04/10/386290410.db2.gz YYTANQHTNUDCJZ-UHFFFAOYSA-N 1 2 227.311 2.830 20 0 BFADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ncc(C2CC2)o1 ZINC000335265351 386300378 /nfs/dbraw/zinc/30/03/78/386300378.db2.gz WOFHPOOZWDGKDI-DTORHVGOSA-N 1 2 206.289 2.535 20 0 BFADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000335265351 386300383 /nfs/dbraw/zinc/30/03/83/386300383.db2.gz WOFHPOOZWDGKDI-DTORHVGOSA-N 1 2 206.289 2.535 20 0 BFADLO Fc1ccc(C[N@@H+]2CCc3sccc3C2)nc1 ZINC000276340236 386305237 /nfs/dbraw/zinc/30/52/37/386305237.db2.gz IHPGJVOFAWSUGB-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Fc1ccc(C[N@H+]2CCc3sccc3C2)nc1 ZINC000276340236 386305243 /nfs/dbraw/zinc/30/52/43/386305243.db2.gz IHPGJVOFAWSUGB-UHFFFAOYSA-N 1 2 248.326 2.841 20 0 BFADLO Cc1ccc(CN(C)c2cccc[nH+]2)o1 ZINC000298193277 386306437 /nfs/dbraw/zinc/30/64/37/386306437.db2.gz BJPQSZJPEUZXJR-UHFFFAOYSA-N 1 2 202.257 2.619 20 0 BFADLO CCC1(C)C[NH+](Cc2c(F)ccc(O)c2F)C1 ZINC000297526013 386261466 /nfs/dbraw/zinc/26/14/66/386261466.db2.gz YUYJHHVPUBIODR-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO Cc1cnn(C)c1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000289115741 386262145 /nfs/dbraw/zinc/26/21/45/386262145.db2.gz NFZYWFBHBQESHS-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO Cc1cnn(C)c1C[N@H+](C)[C@H](C)c1ccco1 ZINC000289115741 386262150 /nfs/dbraw/zinc/26/21/50/386262150.db2.gz NFZYWFBHBQESHS-LLVKDONJSA-N 1 2 233.315 2.515 20 0 BFADLO CC(C)(C(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000297689724 386273754 /nfs/dbraw/zinc/27/37/54/386273754.db2.gz HMRUYUCJTMUKJI-UHFFFAOYSA-N 1 2 243.310 2.709 20 0 BFADLO CC(C)[C@H]1C[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000297739808 386275219 /nfs/dbraw/zinc/27/52/19/386275219.db2.gz KXNDUNIGVLAMKW-VXGBXAGGSA-N 1 2 243.310 2.565 20 0 BFADLO Fc1ccc(C[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000335463000 386279666 /nfs/dbraw/zinc/27/96/66/386279666.db2.gz BWTFXLWIMRGFMN-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO Fc1ccc(C[N@H+]2CCCOCC2)c(Cl)c1 ZINC000335463000 386279670 /nfs/dbraw/zinc/27/96/70/386279670.db2.gz BWTFXLWIMRGFMN-UHFFFAOYSA-N 1 2 243.709 2.701 20 0 BFADLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000339290615 386342324 /nfs/dbraw/zinc/34/23/24/386342324.db2.gz KXDXZLFGMSUQBJ-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO COC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1Cl ZINC000339290615 386342330 /nfs/dbraw/zinc/34/23/30/386342330.db2.gz KXDXZLFGMSUQBJ-NSHDSACASA-N 1 2 243.709 2.700 20 0 BFADLO C[C@@](O)(CNc1cccc[nH+]1)C1CCCCC1 ZINC000276678304 386362165 /nfs/dbraw/zinc/36/21/65/386362165.db2.gz FNQDOWLBQBLOMX-CQSZACIVSA-N 1 2 234.343 2.825 20 0 BFADLO CC[N@H+](CC[C@H]1CCOC1)c1ccccc1 ZINC000347370487 386367797 /nfs/dbraw/zinc/36/77/97/386367797.db2.gz ABSHSIFOPIDAKI-ZDUSSCGKSA-N 1 2 219.328 2.940 20 0 BFADLO CC[N@@H+](CC[C@H]1CCOC1)c1ccccc1 ZINC000347370487 386367803 /nfs/dbraw/zinc/36/78/03/386367803.db2.gz ABSHSIFOPIDAKI-ZDUSSCGKSA-N 1 2 219.328 2.940 20 0 BFADLO CC[C@@](C)(CNc1ccc[nH+]c1C)OC ZINC000319959454 386367905 /nfs/dbraw/zinc/36/79/05/386367905.db2.gz VXCQXDFTURIJOC-LBPRGKRZSA-N 1 2 208.305 2.617 20 0 BFADLO C[C@H](C[NH+]=c1[nH]c2ccc(F)cc2n1C)C1CC1 ZINC000644860527 386369384 /nfs/dbraw/zinc/36/93/84/386369384.db2.gz KQVCGQOYHCCKJO-SECBINFHSA-N 1 2 247.317 2.592 20 0 BFADLO Cc1cc(C)cc(C[N@H+](C)Cc2ccon2)c1 ZINC000265793127 386369971 /nfs/dbraw/zinc/36/99/71/386369971.db2.gz MPRFWNHJHYQQCH-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1cc(C)cc(C[N@@H+](C)Cc2ccon2)c1 ZINC000265793127 386369975 /nfs/dbraw/zinc/36/99/75/386369975.db2.gz MPRFWNHJHYQQCH-UHFFFAOYSA-N 1 2 230.311 2.923 20 0 BFADLO Cc1ccncc1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336754368 386438561 /nfs/dbraw/zinc/43/85/61/386438561.db2.gz WZQGRCDXCRTRAF-VIFPVBQESA-N 1 2 226.270 2.838 20 0 BFADLO Cc1ccccc1C[NH2+]CC(F)(F)C(F)F ZINC000191772220 386441171 /nfs/dbraw/zinc/44/11/71/386441171.db2.gz MNHUSQSIXNUVKQ-UHFFFAOYSA-N 1 2 235.224 2.985 20 0 BFADLO CCCc1nc(C[N@@H+]2CCCCC[C@H]2C)no1 ZINC000336718460 386441157 /nfs/dbraw/zinc/44/11/57/386441157.db2.gz GOINVXDAGYOQHG-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CCCc1nc(C[N@H+]2CCCCC[C@H]2C)no1 ZINC000336718460 386441165 /nfs/dbraw/zinc/44/11/65/386441165.db2.gz GOINVXDAGYOQHG-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO C[C@@H]1CN(c2cccc[nH+]2)CC2(CCCC2)O1 ZINC000645403518 386442891 /nfs/dbraw/zinc/44/28/91/386442891.db2.gz ZCRFSTDAHMMWFH-GFCCVEGCSA-N 1 2 232.327 2.620 20 0 BFADLO Cc1cc(NC(=O)[C@H]2CCCC(C)(C)C2)cc[nH+]1 ZINC000339369326 386389615 /nfs/dbraw/zinc/38/96/15/386389615.db2.gz PRJVMLXKUVSIDN-LBPRGKRZSA-N 1 2 246.354 2.967 20 0 BFADLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccccc2C)n1 ZINC000298860724 386392157 /nfs/dbraw/zinc/39/21/57/386392157.db2.gz RDOHEHMGMVQULQ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO Cc1noc(C[N@H+](C)[C@H](C)c2ccccc2C)n1 ZINC000298860724 386392163 /nfs/dbraw/zinc/39/21/63/386392163.db2.gz RDOHEHMGMVQULQ-LLVKDONJSA-N 1 2 245.326 2.879 20 0 BFADLO c1cc(CNc2ccc3ccccc3[nH+]2)no1 ZINC000093297696 386402391 /nfs/dbraw/zinc/40/23/91/386402391.db2.gz MYNWXZPGAYNXFE-UHFFFAOYSA-N 1 2 225.251 2.835 20 0 BFADLO CO[C@H](CNc1cc[nH+]c(C)n1)c1ccccc1 ZINC000266154214 386405273 /nfs/dbraw/zinc/40/52/73/386405273.db2.gz LLLXLZSECXWUMH-CYBMUJFWSA-N 1 2 243.310 2.585 20 0 BFADLO FC(F)C[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000347439473 386405301 /nfs/dbraw/zinc/40/53/01/386405301.db2.gz NFVQIBNPOMUDOL-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)C[N@@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000347439473 386405308 /nfs/dbraw/zinc/40/53/08/386405308.db2.gz NFVQIBNPOMUDOL-LLVKDONJSA-N 1 2 233.302 2.675 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000645400039 386407914 /nfs/dbraw/zinc/40/79/14/386407914.db2.gz GJJWEQAMBSYENF-RWMBFGLXSA-N 1 2 243.354 2.685 20 0 BFADLO CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000277111649 386407807 /nfs/dbraw/zinc/40/78/07/386407807.db2.gz XPIMUBCAJGJHQV-WCQYABFASA-N 1 2 248.326 2.534 20 0 BFADLO CO[C@@H](C)COc1cc(C)[nH+]c2ccccc21 ZINC000277122631 386410136 /nfs/dbraw/zinc/41/01/36/386410136.db2.gz YWCNONFDSQWIOD-NSHDSACASA-N 1 2 231.295 2.957 20 0 BFADLO CSC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000266449116 386413649 /nfs/dbraw/zinc/41/36/49/386413649.db2.gz JATSIIQQZAKYQW-UHFFFAOYSA-N 1 2 237.372 2.908 20 0 BFADLO Cc1cn2cc(NC(=O)CC3CCC3)ccc2[nH+]1 ZINC000266321558 386426890 /nfs/dbraw/zinc/42/68/90/386426890.db2.gz WPXPCGNLWJMJFK-UHFFFAOYSA-N 1 2 243.310 2.771 20 0 BFADLO Cc1ccc[nH+]c1CCc1noc(C2(F)CC2)n1 ZINC000351377994 386434845 /nfs/dbraw/zinc/43/48/45/386434845.db2.gz MAZYZYCKWPUURY-UHFFFAOYSA-N 1 2 247.273 2.517 20 0 BFADLO CC(C)[C@H](NC(=O)CCC1CCC1)c1[nH]cc[nH+]1 ZINC000277794427 386466529 /nfs/dbraw/zinc/46/65/29/386466529.db2.gz XJCLZPHUYHBDEN-ZDUSSCGKSA-N 1 2 249.358 2.803 20 0 BFADLO CC(C)[N@H+](Cc1cccs1)Cc1nccn1C ZINC000299616070 386471982 /nfs/dbraw/zinc/47/19/82/386471982.db2.gz PIHUEKPFSYXOSF-UHFFFAOYSA-N 1 2 249.383 2.892 20 0 BFADLO CC(C)[N@@H+](Cc1cccs1)Cc1nccn1C ZINC000299616070 386471987 /nfs/dbraw/zinc/47/19/87/386471987.db2.gz PIHUEKPFSYXOSF-UHFFFAOYSA-N 1 2 249.383 2.892 20 0 BFADLO Cc1ccc(NC(=O)CCn2cc[nH+]c2)c(C)c1 ZINC000299617304 386472477 /nfs/dbraw/zinc/47/24/77/386472477.db2.gz IIJUNKVWWURRDG-UHFFFAOYSA-N 1 2 243.310 2.529 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339574833 386472590 /nfs/dbraw/zinc/47/25/90/386472590.db2.gz KQDOAYDISLKICU-GUBZILKMSA-N 1 2 223.320 2.594 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)n1 ZINC000339574833 386472593 /nfs/dbraw/zinc/47/25/93/386472593.db2.gz KQDOAYDISLKICU-GUBZILKMSA-N 1 2 223.320 2.594 20 0 BFADLO C1=CC[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000277866531 386473813 /nfs/dbraw/zinc/47/38/13/386473813.db2.gz RRHOVYRCJQXKMS-GFCCVEGCSA-N 1 2 244.342 2.597 20 0 BFADLO C1=CC[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277866531 386473821 /nfs/dbraw/zinc/47/38/21/386473821.db2.gz RRHOVYRCJQXKMS-GFCCVEGCSA-N 1 2 244.342 2.597 20 0 BFADLO CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339574831 386474142 /nfs/dbraw/zinc/47/41/42/386474142.db2.gz KQDOAYDISLKICU-AEJSXWLSSA-N 1 2 223.320 2.594 20 0 BFADLO CC(C)c1noc([C@H](C)[N@H+]2C[C@H](C)[C@H]2C)n1 ZINC000339574831 386474148 /nfs/dbraw/zinc/47/41/48/386474148.db2.gz KQDOAYDISLKICU-AEJSXWLSSA-N 1 2 223.320 2.594 20 0 BFADLO Cc1noc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000266876604 386476505 /nfs/dbraw/zinc/47/65/05/386476505.db2.gz UCYUFSLPLSLNJL-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO Cc1noc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)n1 ZINC000266876604 386476509 /nfs/dbraw/zinc/47/65/09/386476509.db2.gz UCYUFSLPLSLNJL-HZMBPMFUSA-N 1 2 243.310 2.571 20 0 BFADLO CC[C@](C)([NH2+]C/C=C/c1ccccc1)C(=O)OC ZINC000299732761 386485919 /nfs/dbraw/zinc/48/59/19/386485919.db2.gz XYTMFXLXXKDPBH-SHQCLWGWSA-N 1 2 247.338 2.631 20 0 BFADLO COc1cc(C[N@H+](C)Cc2ccon2)ccc1C ZINC000278242806 386502607 /nfs/dbraw/zinc/50/26/07/386502607.db2.gz OCAMXWZLFPUMMZ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc(C[N@@H+](C)Cc2ccon2)ccc1C ZINC000278242806 386502611 /nfs/dbraw/zinc/50/26/11/386502611.db2.gz OCAMXWZLFPUMMZ-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1ccnc(C[N@H+](C)Cc2cccc(F)c2)n1 ZINC000339651734 386505408 /nfs/dbraw/zinc/50/54/08/386505408.db2.gz OOHCCOGOIYXBPG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ccnc(C[N@@H+](C)Cc2cccc(F)c2)n1 ZINC000339651734 386505412 /nfs/dbraw/zinc/50/54/12/386505412.db2.gz OOHCCOGOIYXBPG-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO FC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000339667534 386512977 /nfs/dbraw/zinc/51/29/77/386512977.db2.gz SLCHJXWKMPOZBX-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO FC[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000339667534 386512978 /nfs/dbraw/zinc/51/29/78/386512978.db2.gz SLCHJXWKMPOZBX-SNVBAGLBSA-N 1 2 229.245 2.899 20 0 BFADLO CC[C@H]([NH2+][C@H](C(=O)OC)C1CC1)c1ccccc1 ZINC000227769526 386514601 /nfs/dbraw/zinc/51/46/01/386514601.db2.gz MNCXPJNRWPRAJV-KBPBESRZSA-N 1 2 247.338 2.679 20 0 BFADLO CC[C@H](O)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000267230757 386515476 /nfs/dbraw/zinc/51/54/76/386515476.db2.gz VPHLYLROLVVDKP-LBPRGKRZSA-N 1 2 243.297 2.525 20 0 BFADLO CC[C@H](O)C[N@H+](Cc1ccccc1)CC(F)F ZINC000267230757 386515483 /nfs/dbraw/zinc/51/54/83/386515483.db2.gz VPHLYLROLVVDKP-LBPRGKRZSA-N 1 2 243.297 2.525 20 0 BFADLO C(c1noc(C2CC2)n1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339673746 386515754 /nfs/dbraw/zinc/51/57/54/386515754.db2.gz LYPJSLOMBKULPS-NSHDSACASA-N 1 2 247.342 2.569 20 0 BFADLO C(c1noc(C2CC2)n1)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339673746 386515765 /nfs/dbraw/zinc/51/57/65/386515765.db2.gz LYPJSLOMBKULPS-NSHDSACASA-N 1 2 247.342 2.569 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)CCCC1CCCC1 ZINC000267226591 386515806 /nfs/dbraw/zinc/51/58/06/386515806.db2.gz OVDJAFTUYPCJQY-UHFFFAOYSA-N 1 2 249.358 2.695 20 0 BFADLO C[C@@H](N(C)c1cc[nH+]c(C2CC2)n1)C1(C)CC1 ZINC000267804304 386586373 /nfs/dbraw/zinc/58/63/73/386586373.db2.gz QYVBJMWTOUFDAF-SNVBAGLBSA-N 1 2 231.343 2.979 20 0 BFADLO FC1=CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000278801411 386588395 /nfs/dbraw/zinc/58/83/95/386588395.db2.gz RFUJFZZQUKWHOA-UHFFFAOYSA-N 1 2 217.247 2.626 20 0 BFADLO CC[C@H](CO)Nc1[nH+]c2ccccc2cc1C ZINC000063105697 386538306 /nfs/dbraw/zinc/53/83/06/386538306.db2.gz IZCPXTJIMRCQSF-GFCCVEGCSA-N 1 2 230.311 2.726 20 0 BFADLO CC(C)[C@H]([NH2+][C@H]1CCO[C@H](C)C1)C(F)(F)F ZINC000336756555 386572343 /nfs/dbraw/zinc/57/23/43/386572343.db2.gz YOUAFDOTLDMLRU-UTLUCORTSA-N 1 2 239.281 2.730 20 0 BFADLO C[C@@H](CNc1ccc(CO)c[nH+]1)c1ccccc1 ZINC000291712549 386572719 /nfs/dbraw/zinc/57/27/19/386572719.db2.gz ZYZBWCFWKJCLPI-LBPRGKRZSA-N 1 2 242.322 2.790 20 0 BFADLO Cc1ccoc1CN(C)Cc1[nH+]ccn1C(C)C ZINC000292113101 386620649 /nfs/dbraw/zinc/62/06/49/386620649.db2.gz HBBCTIVNWKYUSY-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CCO[C@@H](CCNc1cccc[nH+]1)C(C)C ZINC000266849120 386622041 /nfs/dbraw/zinc/62/20/41/386622041.db2.gz QEPKEDLLHYLAPU-LBPRGKRZSA-N 1 2 222.332 2.945 20 0 BFADLO CC[C@H](O)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000292201367 386632915 /nfs/dbraw/zinc/63/29/15/386632915.db2.gz GRXQARJTSPQOOF-JTQLQIEISA-N 1 2 248.301 2.865 20 0 BFADLO FC(F)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000644960620 386640229 /nfs/dbraw/zinc/64/02/29/386640229.db2.gz KWNDXOCCBBHXSJ-GFCCVEGCSA-N 1 2 245.313 2.533 20 0 BFADLO FC(F)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000644960620 386640233 /nfs/dbraw/zinc/64/02/33/386640233.db2.gz KWNDXOCCBBHXSJ-GFCCVEGCSA-N 1 2 245.313 2.533 20 0 BFADLO Cc1c(C(=O)Nc2c(C)cc[nH+]c2C)ccn1C ZINC000644972003 386646697 /nfs/dbraw/zinc/64/66/97/386646697.db2.gz CJRMXIFOZDCYGO-UHFFFAOYSA-N 1 2 243.310 2.598 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC12CCC2 ZINC000644972545 386647600 /nfs/dbraw/zinc/64/76/00/386647600.db2.gz JKQGTLGZJKYISS-NSHDSACASA-N 1 2 230.311 2.827 20 0 BFADLO Cc1nonc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000267948809 386600312 /nfs/dbraw/zinc/60/03/12/386600312.db2.gz SNPYQZVKUUVACA-SNVBAGLBSA-N 1 2 247.298 2.697 20 0 BFADLO Cc1nonc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000267948809 386600316 /nfs/dbraw/zinc/60/03/16/386600316.db2.gz SNPYQZVKUUVACA-SNVBAGLBSA-N 1 2 247.298 2.697 20 0 BFADLO Cc1ccc(NC(=O)CC[C@H]2CCCO2)c(C)[nH+]1 ZINC000268027399 386610336 /nfs/dbraw/zinc/61/03/36/386610336.db2.gz WFVNXOZGQJEAOK-GFCCVEGCSA-N 1 2 248.326 2.596 20 0 BFADLO CCn1c[nH+]cc1CN(C)Cc1cccc(F)c1 ZINC000417736066 386616294 /nfs/dbraw/zinc/61/62/94/386616294.db2.gz ATYNOXKSQOWSSQ-UHFFFAOYSA-N 1 2 247.317 2.674 20 0 BFADLO O[C@H]1C[C@@H](C[N@@H+]2CCCCc3ccccc32)C1 ZINC000335494498 386616987 /nfs/dbraw/zinc/61/69/87/386616987.db2.gz JWVITCZJZXKVGS-XBXGTLAGSA-N 1 2 231.339 2.600 20 0 BFADLO O[C@H]1C[C@@H](C[N@H+]2CCCCc3ccccc32)C1 ZINC000335494498 386616994 /nfs/dbraw/zinc/61/69/94/386616994.db2.gz JWVITCZJZXKVGS-XBXGTLAGSA-N 1 2 231.339 2.600 20 0 BFADLO Cc1ccoc1C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000292369937 386659576 /nfs/dbraw/zinc/65/95/76/386659576.db2.gz QWMKBWDNBXSGBV-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccoc1C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC000292369937 386659580 /nfs/dbraw/zinc/65/95/80/386659580.db2.gz QWMKBWDNBXSGBV-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO CC[C@H]1CCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000292393985 386661101 /nfs/dbraw/zinc/66/11/01/386661101.db2.gz KREJVIYOUNPQMM-LBPRGKRZSA-N 1 2 234.343 2.691 20 0 BFADLO Cc1nc(COc2cc[nH+]cc2)sc1C ZINC000292412431 386663636 /nfs/dbraw/zinc/66/36/36/386663636.db2.gz JQOJHKGRHZXSTJ-UHFFFAOYSA-N 1 2 220.297 2.734 20 0 BFADLO CCCc1nc(C)c(CNc2cccc[nH+]2)o1 ZINC000292427759 386666743 /nfs/dbraw/zinc/66/67/43/386666743.db2.gz XAENVOQIWYDKFQ-UHFFFAOYSA-N 1 2 231.299 2.943 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CC1(C)CC1 ZINC000335527301 386670338 /nfs/dbraw/zinc/67/03/38/386670338.db2.gz HSBSRYGGZUQDGZ-UHFFFAOYSA-N 1 2 218.300 2.827 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C(F)(F)F ZINC000335527252 386670893 /nfs/dbraw/zinc/67/08/93/386670893.db2.gz HDPJGHUEJARKJT-ZETCQYMHSA-N 1 2 246.232 2.835 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000335527944 386672915 /nfs/dbraw/zinc/67/29/15/386672915.db2.gz MNMUZQAGHBRTJL-NEPJUHHUSA-N 1 2 232.327 2.929 20 0 BFADLO Cc1cnc(C[NH+]2CC(C)(CC(F)F)C2)s1 ZINC000648058759 386682798 /nfs/dbraw/zinc/68/27/98/386682798.db2.gz AXQVANYGYHFXJU-UHFFFAOYSA-N 1 2 246.326 2.929 20 0 BFADLO CC[C@H]([NH2+]Cc1[nH]ncc1C)c1c(C)noc1C ZINC000352835174 386680054 /nfs/dbraw/zinc/68/00/54/386680054.db2.gz KGAURECRIPMDLB-NSHDSACASA-N 1 2 248.330 2.564 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)C1=CCCC1 ZINC000335531337 386680164 /nfs/dbraw/zinc/68/01/64/386680164.db2.gz YHQQIQTXZBLUPR-UHFFFAOYSA-N 1 2 216.284 2.747 20 0 BFADLO CC[C@@H]([NH2+]C[C@H](C)c1cccc(C)c1)C(=O)OC ZINC000192851563 386680287 /nfs/dbraw/zinc/68/02/87/386680287.db2.gz KMUHXMBHUIYKTL-GXTWGEPZSA-N 1 2 249.354 2.640 20 0 BFADLO CSC[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425591438 386680963 /nfs/dbraw/zinc/68/09/63/386680963.db2.gz ZDJVIEUTRGYWFQ-VIFPVBQESA-N 1 2 238.356 2.636 20 0 BFADLO CCc1ocnc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335531621 386681490 /nfs/dbraw/zinc/68/14/90/386681490.db2.gz ZLQQSZAKLKGQTO-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)CSC1CC1 ZINC000425577754 386658076 /nfs/dbraw/zinc/65/80/76/386658076.db2.gz AVMZRMPKHLSZTH-UHFFFAOYSA-N 1 2 236.340 2.533 20 0 BFADLO Cc1c[nH+]c(C)nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000520464129 386683003 /nfs/dbraw/zinc/68/30/03/386683003.db2.gz YMHVBSKYYAGYBM-UWVGGRQHSA-N 1 2 219.332 2.576 20 0 BFADLO Cc1cnnn1-c1ccc([NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000648059420 386685205 /nfs/dbraw/zinc/68/52/05/386685205.db2.gz OPXIAYDGSDKKRJ-PWSUYJOCSA-N 1 2 242.326 2.644 20 0 BFADLO CC(C)(C)C1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000414927532 386692685 /nfs/dbraw/zinc/69/26/85/386692685.db2.gz LMHUNKSDYNRNIS-UHFFFAOYSA-N 1 2 248.361 2.775 20 0 BFADLO FC(F)[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000292594406 386695223 /nfs/dbraw/zinc/69/52/23/386695223.db2.gz DFBKFHWDSCLRCH-RYUDHWBXSA-N 1 2 241.281 2.761 20 0 BFADLO CCCc1nc(C[N@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357028859 386695678 /nfs/dbraw/zinc/69/56/78/386695678.db2.gz CBKAZYNJXIMALW-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CCCc1nc(C[N@@H+](C)[C@@H](C)C2CCC2)no1 ZINC000357028859 386695687 /nfs/dbraw/zinc/69/56/87/386695687.db2.gz CBKAZYNJXIMALW-JTQLQIEISA-N 1 2 237.347 2.643 20 0 BFADLO CC[C@H](C)CNc1ccc(N(C)C)c[nH+]1 ZINC000093107674 386707070 /nfs/dbraw/zinc/70/70/70/386707070.db2.gz VUGKBQZLAOKZPD-JTQLQIEISA-N 1 2 207.321 2.606 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccco2)co1 ZINC000647960708 386731326 /nfs/dbraw/zinc/73/13/26/386731326.db2.gz DHYYNZUSGQBFON-VIFPVBQESA-N 1 2 220.272 2.769 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccco2)co1 ZINC000647960708 386731330 /nfs/dbraw/zinc/73/13/30/386731330.db2.gz DHYYNZUSGQBFON-VIFPVBQESA-N 1 2 220.272 2.769 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000357182972 386734780 /nfs/dbraw/zinc/73/47/80/386734780.db2.gz FVPMJDKTXDRHSK-WCQYABFASA-N 1 2 246.354 2.831 20 0 BFADLO CC(C)[C@H](O)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292846123 386735146 /nfs/dbraw/zinc/73/51/46/386735146.db2.gz VFOOWEGBGNBFBW-NEPJUHHUSA-N 1 2 243.297 2.599 20 0 BFADLO CCc1ccc(C[NH2+]Cc2cnccc2OC)o1 ZINC000292859407 386738851 /nfs/dbraw/zinc/73/88/51/386738851.db2.gz ZXJSHAGHWYRHDH-UHFFFAOYSA-N 1 2 246.310 2.535 20 0 BFADLO Fc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CCC2 ZINC000279640372 386714490 /nfs/dbraw/zinc/71/44/90/386714490.db2.gz CUQXQWWFCXYDCI-AWEZNQCLSA-N 1 2 246.285 2.981 20 0 BFADLO Fc1ccc2cc[nH+]c(N3CCCC3)c2c1 ZINC000336632165 386716993 /nfs/dbraw/zinc/71/69/93/386716993.db2.gz RUODJHBXPVLQNB-UHFFFAOYSA-N 1 2 216.259 2.974 20 0 BFADLO C[N@H+](Cc1cocn1)Cc1cccc(Cl)c1 ZINC000191921330 386717843 /nfs/dbraw/zinc/71/78/43/386717843.db2.gz JCSMSZDUVKEQIG-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1cocn1)Cc1cccc(Cl)c1 ZINC000191921330 386717845 /nfs/dbraw/zinc/71/78/45/386717845.db2.gz JCSMSZDUVKEQIG-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2ccnn2C(C)C)o1 ZINC000279672845 386718240 /nfs/dbraw/zinc/71/82/40/386718240.db2.gz PAHNXVAMLVLORX-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2ccnn2C(C)C)o1 ZINC000279672845 386718247 /nfs/dbraw/zinc/71/82/47/386718247.db2.gz PAHNXVAMLVLORX-UHFFFAOYSA-N 1 2 247.342 2.997 20 0 BFADLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cocn2)C1 ZINC000191977036 386726025 /nfs/dbraw/zinc/72/60/25/386726025.db2.gz MEDIWJPTNZRLKQ-SMDDNHRTSA-N 1 2 243.310 2.653 20 0 BFADLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cocn2)C1 ZINC000191977036 386726029 /nfs/dbraw/zinc/72/60/29/386726029.db2.gz MEDIWJPTNZRLKQ-SMDDNHRTSA-N 1 2 243.310 2.653 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)O ZINC000292796130 386729146 /nfs/dbraw/zinc/72/91/46/386729146.db2.gz MWJPPAMXXBVYTC-NSHDSACASA-N 1 2 249.358 2.624 20 0 BFADLO CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348527055 386751166 /nfs/dbraw/zinc/75/11/66/386751166.db2.gz ZFSHFSZBWGGOKZ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO CC(C)(C)OC(=O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348527055 386751173 /nfs/dbraw/zinc/75/11/73/386751173.db2.gz ZFSHFSZBWGGOKZ-CYBMUJFWSA-N 1 2 247.338 2.775 20 0 BFADLO Fc1cccc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000340732410 386758680 /nfs/dbraw/zinc/75/86/80/386758680.db2.gz ADSPMITWGIBJST-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO Fc1cccc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000340732410 386758687 /nfs/dbraw/zinc/75/86/87/386758687.db2.gz ADSPMITWGIBJST-UHFFFAOYSA-N 1 2 239.265 2.764 20 0 BFADLO CC(C)C1([NH2+]CC(=O)OCc2ccccc2)CC1 ZINC000292962515 386759151 /nfs/dbraw/zinc/75/91/51/386759151.db2.gz JOFPNPPYVUPHAA-UHFFFAOYSA-N 1 2 247.338 2.508 20 0 BFADLO Cc1ccc(C)c([N@@H+](CCCO)C(C)C)c1 ZINC000113252892 386761313 /nfs/dbraw/zinc/76/13/13/386761313.db2.gz YHDIGJNEYNLHNX-UHFFFAOYSA-N 1 2 221.344 2.901 20 0 BFADLO Cc1ccc(C)c([N@H+](CCCO)C(C)C)c1 ZINC000113252892 386761320 /nfs/dbraw/zinc/76/13/20/386761320.db2.gz YHDIGJNEYNLHNX-UHFFFAOYSA-N 1 2 221.344 2.901 20 0 BFADLO CC[C@@H](C)[N@@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292999748 386761961 /nfs/dbraw/zinc/76/19/61/386761961.db2.gz CUFVZKISLUCSOH-GFCCVEGCSA-N 1 2 241.338 2.986 20 0 BFADLO CC[C@@H](C)[N@H+]1Cc2cnn(-c3ccccc3)c2C1 ZINC000292999748 386761966 /nfs/dbraw/zinc/76/19/66/386761966.db2.gz CUFVZKISLUCSOH-GFCCVEGCSA-N 1 2 241.338 2.986 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000336663887 386761909 /nfs/dbraw/zinc/76/19/09/386761909.db2.gz UJARBAVOWHEEGG-YEPSODPASA-N 1 2 207.239 2.573 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)C1(CC)CCC1 ZINC000340882201 386796904 /nfs/dbraw/zinc/79/69/04/386796904.db2.gz SBJPPNOSXCUBGJ-UHFFFAOYSA-N 1 2 232.327 2.585 20 0 BFADLO CCc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cn1 ZINC000352864762 386782667 /nfs/dbraw/zinc/78/26/67/386782667.db2.gz BFEYHJGEXBKIKH-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C(C)(F)F ZINC000293300401 386800131 /nfs/dbraw/zinc/80/01/31/386800131.db2.gz GONAAWIZZBEMME-MRVPVSSYSA-N 1 2 228.242 2.620 20 0 BFADLO FC1(CCNc2cc[nH+]c3ccncc23)CCC1 ZINC000340943844 386806382 /nfs/dbraw/zinc/80/63/82/386806382.db2.gz FKWYBVFJHJPNEY-UHFFFAOYSA-N 1 2 245.301 2.746 20 0 BFADLO F[C@@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000340985257 386811527 /nfs/dbraw/zinc/81/15/27/386811527.db2.gz YLGWEHLMNHRBOG-VXGBXAGGSA-N 1 2 230.286 2.959 20 0 BFADLO C[C@@H]1C[N@H+](Cc2noc(-c3ccsc3)n2)[C@H]1C ZINC000293514194 386829442 /nfs/dbraw/zinc/82/94/42/386829442.db2.gz VJSUZYNBYRVTIM-BDAKNGLRSA-N 1 2 249.339 2.638 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2noc(-c3ccsc3)n2)[C@H]1C ZINC000293514194 386829451 /nfs/dbraw/zinc/82/94/51/386829451.db2.gz VJSUZYNBYRVTIM-BDAKNGLRSA-N 1 2 249.339 2.638 20 0 BFADLO CCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000280658669 386832224 /nfs/dbraw/zinc/83/22/24/386832224.db2.gz AETLOKPCILGXAP-UHFFFAOYSA-N 1 2 231.299 2.853 20 0 BFADLO C[N@@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CC1(C)C ZINC000353231308 386833030 /nfs/dbraw/zinc/83/30/30/386833030.db2.gz IVEJVIRFQGRLLV-LLVKDONJSA-N 1 2 241.281 2.901 20 0 BFADLO c1n[nH]c([C@H]([NH2+]CC2CCC2)C2CCCCC2)n1 ZINC000330238766 386840892 /nfs/dbraw/zinc/84/08/92/386840892.db2.gz DLBNDIMQLRUFPB-CYBMUJFWSA-N 1 2 248.374 2.816 20 0 BFADLO c1n[nH]c([C@H]([NH2+]C2CCC2)C2CCCCC2)n1 ZINC000330271827 386843663 /nfs/dbraw/zinc/84/36/63/386843663.db2.gz WPCMGROYEFUJRV-GFCCVEGCSA-N 1 2 234.347 2.568 20 0 BFADLO CC(C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301428928 386843742 /nfs/dbraw/zinc/84/37/42/386843742.db2.gz NEEIFRDCWXXDKT-GFCCVEGCSA-N 1 2 204.317 2.954 20 0 BFADLO CC(C)n1cncc1C[N@H+](C)CCC(F)(F)F ZINC000425332764 386846453 /nfs/dbraw/zinc/84/64/53/386846453.db2.gz ZUWAXKRRQBRFOZ-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CC(C)n1cncc1C[N@@H+](C)CCC(F)(F)F ZINC000425332764 386846457 /nfs/dbraw/zinc/84/64/57/386846457.db2.gz ZUWAXKRRQBRFOZ-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CC(C)n1c[nH+]cc1CN(C)CCC(F)(F)F ZINC000425332764 386846459 /nfs/dbraw/zinc/84/64/59/386846459.db2.gz ZUWAXKRRQBRFOZ-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO Cc1c[nH+]c(CNc2cc(C)cc(C)c2)n1C ZINC000341151994 386848280 /nfs/dbraw/zinc/84/82/80/386848280.db2.gz QEVVJEHUNSHCFB-UHFFFAOYSA-N 1 2 229.327 2.957 20 0 BFADLO CC[C@H]1CCCC[C@@H]1c1noc(C[NH+](C)C)n1 ZINC000341163589 386849835 /nfs/dbraw/zinc/84/98/35/386849835.db2.gz DGKHOWAKLRGCBV-QWRGUYRKSA-N 1 2 237.347 2.815 20 0 BFADLO Cc1ccc(C[S@@](=O)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000357827116 386850516 /nfs/dbraw/zinc/85/05/16/386850516.db2.gz GRKQSHXVVGBDGJ-BLLLJJGKSA-N 1 2 239.384 2.992 20 0 BFADLO Cc1nc(N2CCC(CF)CC2)c(C)c(C)[nH+]1 ZINC000334788703 386851933 /nfs/dbraw/zinc/85/19/33/386851933.db2.gz ZWBMNFMYTNGOGD-UHFFFAOYSA-N 1 2 237.322 2.588 20 0 BFADLO c1cc(N2C[C@H]3CCCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000301553465 386852428 /nfs/dbraw/zinc/85/24/28/386852428.db2.gz MTOXOHTXXUHDKM-CHWSQXEVSA-N 1 2 243.354 2.980 20 0 BFADLO CCn1cc[nH+]c1CN1Cc2cccc(F)c2C1 ZINC000334793029 386859610 /nfs/dbraw/zinc/85/96/10/386859610.db2.gz QNEHIGVACJHXQN-UHFFFAOYSA-N 1 2 245.301 2.558 20 0 BFADLO Cc1nc(N2C[C@@H]3CC=CC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000301628037 386861220 /nfs/dbraw/zinc/86/12/20/386861220.db2.gz AKLARSZOMCBEKD-OKILXGFUSA-N 1 2 243.354 2.804 20 0 BFADLO Cc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)no1 ZINC000425349196 386865433 /nfs/dbraw/zinc/86/54/33/386865433.db2.gz GEXXTPBNTKABJO-ZIAGYGMSSA-N 1 2 246.285 2.710 20 0 BFADLO Cc1nc(N2CC[C@H](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301699619 386869800 /nfs/dbraw/zinc/86/98/00/386869800.db2.gz RPVJCCQWPOMPKW-KWQFWETISA-N 1 2 219.332 2.637 20 0 BFADLO Cc1nc(N2CC[C@@H](C)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000301699385 386870101 /nfs/dbraw/zinc/87/01/01/386870101.db2.gz RPVJCCQWPOMPKW-KCJUWKMLSA-N 1 2 219.332 2.637 20 0 BFADLO Cc1c(F)c(F)ccc1NCc1[nH+]ccn1C ZINC000334834854 386874777 /nfs/dbraw/zinc/87/47/77/386874777.db2.gz CFFFNGRNDIJCFC-UHFFFAOYSA-N 1 2 237.253 2.619 20 0 BFADLO CCn1c[nH+]cc1CN[C@@H](C(C)C)C(F)(F)F ZINC000418009847 386884829 /nfs/dbraw/zinc/88/48/29/386884829.db2.gz IQWVHJIQXKZZLO-JTQLQIEISA-N 1 2 249.280 2.580 20 0 BFADLO CC(C)(C)OCCCCOCc1[nH]cc[nH+]1 ZINC000341367998 386895034 /nfs/dbraw/zinc/89/50/34/386895034.db2.gz TXIIEPWCCOCFIN-UHFFFAOYSA-N 1 2 226.320 2.522 20 0 BFADLO CCO[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301888647 386887280 /nfs/dbraw/zinc/88/72/80/386887280.db2.gz PYYIERBAGLBEHP-NSHDSACASA-N 1 2 245.326 2.568 20 0 BFADLO C[C@@H](CSCCn1cc[nH+]c1)C(F)(F)F ZINC000341475493 386915930 /nfs/dbraw/zinc/91/59/30/386915930.db2.gz IGITVBCEYANETL-QMMMGPOBSA-N 1 2 238.278 2.815 20 0 BFADLO Cc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CO2 ZINC000367942478 386920796 /nfs/dbraw/zinc/92/07/96/386920796.db2.gz LOOLOUFUUJBMFX-LBPRGKRZSA-N 1 2 226.279 2.936 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC(C)(C)O2)cc[nH+]1 ZINC000302386100 386921213 /nfs/dbraw/zinc/92/12/13/386921213.db2.gz HMSAPASWULLSSX-NSHDSACASA-N 1 2 249.358 2.970 20 0 BFADLO CC(C)c1nc(N[C@@H]2CCC[C@H]2CCO)cc[nH+]1 ZINC000302448932 386923037 /nfs/dbraw/zinc/92/30/37/386923037.db2.gz OSKVYNJRRAVZGI-NWDGAFQWSA-N 1 2 249.358 2.563 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456433387 386956695 /nfs/dbraw/zinc/95/66/95/386956695.db2.gz UETWXNXGAVPXKJ-FIQHERPVSA-N 1 2 249.358 2.687 20 0 BFADLO C[C@@H](CC1CCCCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000331087529 386959448 /nfs/dbraw/zinc/95/94/48/386959448.db2.gz QUMPOWFBCSFJLL-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO C[C@@H](CC1CCCCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000331087529 386959453 /nfs/dbraw/zinc/95/94/53/386959453.db2.gz QUMPOWFBCSFJLL-NSHDSACASA-N 1 2 249.358 2.632 20 0 BFADLO FC(F)C[N@H+](CC1CCC1)C[C@@H]1CCCCO1 ZINC000341749214 386959437 /nfs/dbraw/zinc/95/94/37/386959437.db2.gz FEUVLGFWBBYKLD-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO FC(F)C[N@@H+](CC1CCC1)C[C@@H]1CCCCO1 ZINC000341749214 386959441 /nfs/dbraw/zinc/95/94/41/386959441.db2.gz FEUVLGFWBBYKLD-LBPRGKRZSA-N 1 2 247.329 2.923 20 0 BFADLO CC[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1[nH]cc[nH+]1 ZINC000331290354 387008034 /nfs/dbraw/zinc/00/80/34/387008034.db2.gz WEARWHVPIQPECA-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO CC[N@H+](CC(N)=O)Cc1cnc(C(C)C)s1 ZINC000331061095 386952018 /nfs/dbraw/zinc/95/20/18/386952018.db2.gz NYTGJOHSZNEBQV-UHFFFAOYSA-N 1 2 241.360 2.624 20 0 BFADLO CC[N@@H+](CC(N)=O)Cc1cnc(C(C)C)s1 ZINC000331061095 386952023 /nfs/dbraw/zinc/95/20/23/386952023.db2.gz NYTGJOHSZNEBQV-UHFFFAOYSA-N 1 2 241.360 2.624 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@@H]1C ZINC000334957627 387038019 /nfs/dbraw/zinc/03/80/19/387038019.db2.gz ZFCWOCLXDROQAF-GZMMTYOYSA-N 1 2 233.315 2.618 20 0 BFADLO Cc1c[nH+]cc(NCc2cnn3ccccc23)c1 ZINC000227603796 387056912 /nfs/dbraw/zinc/05/69/12/387056912.db2.gz IICCBFBXZKAXAW-UHFFFAOYSA-N 1 2 238.294 2.650 20 0 BFADLO O=C(CC1CCCCC1)Nc1cc[nH+]cc1O ZINC000109889752 387057768 /nfs/dbraw/zinc/05/77/68/387057768.db2.gz ZHSAAADFXHTZFC-UHFFFAOYSA-N 1 2 234.299 2.696 20 0 BFADLO Fc1ccc(F)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000336222710 387061310 /nfs/dbraw/zinc/06/13/10/387061310.db2.gz CTNNHKBAUQZOBS-SNVBAGLBSA-N 1 2 215.218 2.509 20 0 BFADLO Fc1ccc(F)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000336222710 387061315 /nfs/dbraw/zinc/06/13/15/387061315.db2.gz CTNNHKBAUQZOBS-SNVBAGLBSA-N 1 2 215.218 2.509 20 0 BFADLO C[C@]1(CNc2cccc[nH+]2)CCO[C@@H]1C1CC1 ZINC000368765476 387010758 /nfs/dbraw/zinc/01/07/58/387010758.db2.gz PBOFBPQMOCIKJF-ZIAGYGMSSA-N 1 2 232.327 2.699 20 0 BFADLO CCc1nc(C[N@H+]2CCC[C@H](CC)CC2)no1 ZINC000117342873 387018571 /nfs/dbraw/zinc/01/85/71/387018571.db2.gz MTPBLMNXCNIRDG-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO CCc1nc(C[N@@H+]2CCC[C@H](CC)CC2)no1 ZINC000117342873 387018574 /nfs/dbraw/zinc/01/85/74/387018574.db2.gz MTPBLMNXCNIRDG-NSHDSACASA-N 1 2 237.347 2.644 20 0 BFADLO Cc1ccc(NC(=O)Nc2nccs2)c(C)[nH+]1 ZINC000336229740 387069549 /nfs/dbraw/zinc/06/95/49/387069549.db2.gz WMFQJENMTLWJEC-UHFFFAOYSA-N 1 2 248.311 2.799 20 0 BFADLO C1=CCC(Nc2cc(NC3CC=CC3)[nH+]cn2)C1 ZINC000127134969 387077810 /nfs/dbraw/zinc/07/78/10/387077810.db2.gz ZUHDTDOHWCPATH-UHFFFAOYSA-N 1 2 242.326 2.738 20 0 BFADLO COC(=O)[C@@H](C1CC1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000359589845 387130645 /nfs/dbraw/zinc/13/06/45/387130645.db2.gz RSYMASZLEMZPNC-IINYFYTJSA-N 1 2 245.322 2.515 20 0 BFADLO COC(=O)[C@@H](C1CC1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000359589845 387130649 /nfs/dbraw/zinc/13/06/49/387130649.db2.gz RSYMASZLEMZPNC-IINYFYTJSA-N 1 2 245.322 2.515 20 0 BFADLO Cc1noc(C)c1CNc1c[nH+]ccc1C ZINC000070958317 387086055 /nfs/dbraw/zinc/08/60/55/387086055.db2.gz MMCZUIZCVGELJY-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO COC(=O)[C@H](C1CC1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000359589841 387130964 /nfs/dbraw/zinc/13/09/64/387130964.db2.gz RSYMASZLEMZPNC-HZMBPMFUSA-N 1 2 245.322 2.515 20 0 BFADLO CCCc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000066531540 387087892 /nfs/dbraw/zinc/08/78/92/387087892.db2.gz ZDGCHIMIUNCOCV-PHIMTYICSA-N 1 2 237.347 2.785 20 0 BFADLO CCCc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)no1 ZINC000066531540 387087896 /nfs/dbraw/zinc/08/78/96/387087896.db2.gz ZDGCHIMIUNCOCV-PHIMTYICSA-N 1 2 237.347 2.785 20 0 BFADLO COC(=O)[C@H](C1CC1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000359589841 387130965 /nfs/dbraw/zinc/13/09/65/387130965.db2.gz RSYMASZLEMZPNC-HZMBPMFUSA-N 1 2 245.322 2.515 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cc[nH+]1 ZINC000067571396 387096858 /nfs/dbraw/zinc/09/68/58/387096858.db2.gz QLJHMRCXLDVCFG-VXGBXAGGSA-N 1 2 242.278 2.725 20 0 BFADLO CCCCO[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000068541338 387105439 /nfs/dbraw/zinc/10/54/39/387105439.db2.gz GQBVSAKZBZRUKG-NSHDSACASA-N 1 2 236.315 2.534 20 0 BFADLO CCCCO[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000068541340 387105528 /nfs/dbraw/zinc/10/55/28/387105528.db2.gz GQBVSAKZBZRUKG-LLVKDONJSA-N 1 2 236.315 2.534 20 0 BFADLO Cc1cn2cc(NC(=O)C[C@@H]3C[C@H]3C)ccc2[nH+]1 ZINC000334947825 387110012 /nfs/dbraw/zinc/11/00/12/387110012.db2.gz QDQJBWYFSBWGRD-KOLCDFICSA-N 1 2 243.310 2.627 20 0 BFADLO CCN(CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119260476 387112392 /nfs/dbraw/zinc/11/23/92/387112392.db2.gz BSLWOUVHJVGOKI-UHFFFAOYSA-N 1 2 235.331 2.900 20 0 BFADLO C[C@H](F)CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000352372758 387115072 /nfs/dbraw/zinc/11/50/72/387115072.db2.gz WUOVHQPBRQDBCU-IUCAKERBSA-N 1 2 209.255 2.854 20 0 BFADLO C[C@H](F)CC[N@H+]1CCCC[C@H]1C(F)F ZINC000352372758 387115077 /nfs/dbraw/zinc/11/50/77/387115077.db2.gz WUOVHQPBRQDBCU-IUCAKERBSA-N 1 2 209.255 2.854 20 0 BFADLO C[C@@H](F)CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000352372756 387116625 /nfs/dbraw/zinc/11/66/25/387116625.db2.gz WUOVHQPBRQDBCU-BDAKNGLRSA-N 1 2 209.255 2.854 20 0 BFADLO C[C@@H](F)CC[N@H+]1CCCC[C@H]1C(F)F ZINC000352372756 387116626 /nfs/dbraw/zinc/11/66/26/387116626.db2.gz WUOVHQPBRQDBCU-BDAKNGLRSA-N 1 2 209.255 2.854 20 0 BFADLO Cc1nc(C[N@H+](C)CC2CCCCCC2)no1 ZINC000186875736 387150405 /nfs/dbraw/zinc/15/04/05/387150405.db2.gz JUHQXPUSUQJSGY-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO Cc1nc(C[N@@H+](C)CC2CCCCCC2)no1 ZINC000186875736 387150409 /nfs/dbraw/zinc/15/04/09/387150409.db2.gz JUHQXPUSUQJSGY-UHFFFAOYSA-N 1 2 237.347 2.780 20 0 BFADLO CC(C)n1cc[nH+]c1CN1CCC[C@@H]1C(F)F ZINC000353173796 387151249 /nfs/dbraw/zinc/15/12/49/387151249.db2.gz PKHZTARCWFSJJL-SNVBAGLBSA-N 1 2 243.301 2.694 20 0 BFADLO CC(C)(C)c1nc(C[N@@H+]2CCCC3(CC3)C2)no1 ZINC000186985314 387160231 /nfs/dbraw/zinc/16/02/31/387160231.db2.gz OAZAOZBEWKQBME-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC(C)(C)c1nc(C[N@H+]2CCCC3(CC3)C2)no1 ZINC000186985314 387160234 /nfs/dbraw/zinc/16/02/34/387160234.db2.gz OAZAOZBEWKQBME-UHFFFAOYSA-N 1 2 249.358 2.743 20 0 BFADLO CC1(CC(F)(F)F)C[NH+](Cc2ccccn2)C1 ZINC000459645531 387166529 /nfs/dbraw/zinc/16/65/29/387166529.db2.gz ZUFLUTXEKHTEGL-UHFFFAOYSA-N 1 2 244.260 2.856 20 0 BFADLO CC(C)(C(=O)Nc1c[nH+]c2n1CCCC2)C1CC1 ZINC000336304822 387134737 /nfs/dbraw/zinc/13/47/37/387134737.db2.gz IIOZMXSBUKXXMJ-UHFFFAOYSA-N 1 2 247.342 2.594 20 0 BFADLO CO[C@H](C)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292847798 387207063 /nfs/dbraw/zinc/20/70/63/387207063.db2.gz VKRHYJXUSBCCCH-KOLCDFICSA-N 1 2 229.270 2.617 20 0 BFADLO Cc1cc(NC2(CF)CCC2)nc(C2CC2)[nH+]1 ZINC000571996941 387217034 /nfs/dbraw/zinc/21/70/34/387217034.db2.gz PHXQJHAAUVPIAO-UHFFFAOYSA-N 1 2 235.306 2.967 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)c(C)s1 ZINC000353527630 387222567 /nfs/dbraw/zinc/22/25/67/387222567.db2.gz DTRFFJKIJAKKER-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)c(C)s1 ZINC000353527630 387222574 /nfs/dbraw/zinc/22/25/74/387222574.db2.gz DTRFFJKIJAKKER-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO CCN(CC1CCC1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000360063194 387222595 /nfs/dbraw/zinc/22/25/95/387222595.db2.gz KALSAMFYICDWCB-UHFFFAOYSA-N 1 2 244.342 2.893 20 0 BFADLO CO[C@@H](C)[C@H](C)[NH2+]CC(F)(F)c1ccccc1 ZINC000353608659 387240619 /nfs/dbraw/zinc/24/06/19/387240619.db2.gz JAIOUSJGRQUHGL-QWRGUYRKSA-N 1 2 243.297 2.791 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424664769 387241624 /nfs/dbraw/zinc/24/16/24/387241624.db2.gz KOHYIYPQIYDMRQ-DGCLKSJQSA-N 1 2 246.354 2.831 20 0 BFADLO FCCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000359951647 387199120 /nfs/dbraw/zinc/19/91/20/387199120.db2.gz CANFNMJGRWDAJF-UHFFFAOYSA-N 1 2 236.265 2.957 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1c(F)cccc1F ZINC000354032579 387316036 /nfs/dbraw/zinc/31/60/36/387316036.db2.gz CAROMPQWVJRXNS-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1c(F)cccc1F ZINC000354032579 387316039 /nfs/dbraw/zinc/31/60/39/387316039.db2.gz CAROMPQWVJRXNS-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO Cc1cnc(C[NH2+]Cc2ccoc2C)s1 ZINC000321529054 387272837 /nfs/dbraw/zinc/27/28/37/387272837.db2.gz PDMVWKKLVUGIPT-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(F)nc1 ZINC000189281825 387281096 /nfs/dbraw/zinc/28/10/96/387281096.db2.gz IEMMKISIWQEACV-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(F)nc1 ZINC000189281825 387281100 /nfs/dbraw/zinc/28/11/00/387281100.db2.gz IEMMKISIWQEACV-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO CC(C)[N@H+](CCCc1ccncc1)CC(F)F ZINC000360445131 387286161 /nfs/dbraw/zinc/28/61/61/387286161.db2.gz IJJPANBOUDJKTQ-UHFFFAOYSA-N 1 2 242.313 2.990 20 0 BFADLO CC(C)[N@@H+](CCCc1ccncc1)CC(F)F ZINC000360445131 387286165 /nfs/dbraw/zinc/28/61/65/387286165.db2.gz IJJPANBOUDJKTQ-UHFFFAOYSA-N 1 2 242.313 2.990 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000360475563 387295481 /nfs/dbraw/zinc/29/54/81/387295481.db2.gz URQAEGWEUOLHRD-IJLUTSLNSA-N 1 2 249.358 2.659 20 0 BFADLO Cc1nc(N(C)C2CCCCCC2)cc[nH+]1 ZINC000360535844 387305893 /nfs/dbraw/zinc/30/58/93/387305893.db2.gz RQTHWIJMAWOHAS-UHFFFAOYSA-N 1 2 219.332 2.944 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)nc1 ZINC000336552965 387374095 /nfs/dbraw/zinc/37/40/95/387374095.db2.gz UKOZAJKLHRYEJX-AWEZNQCLSA-N 1 2 239.322 2.732 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)nc1 ZINC000336552965 387374098 /nfs/dbraw/zinc/37/40/98/387374098.db2.gz UKOZAJKLHRYEJX-AWEZNQCLSA-N 1 2 239.322 2.732 20 0 BFADLO C[C@H](CCCCO)[NH2+]c1ccc2c(c1)CCN2 ZINC000643503312 387381302 /nfs/dbraw/zinc/38/13/02/387381302.db2.gz FBERIZOGCAGSOO-LLVKDONJSA-N 1 2 234.343 2.618 20 0 BFADLO C[C@H](CCCCO)Nc1ccc2c(c1)CC[NH2+]2 ZINC000643503312 387381308 /nfs/dbraw/zinc/38/13/08/387381308.db2.gz FBERIZOGCAGSOO-LLVKDONJSA-N 1 2 234.343 2.618 20 0 BFADLO Cc1n[nH]cc1[C@H](C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000643503326 387381797 /nfs/dbraw/zinc/38/17/97/387381797.db2.gz NXZJSUKVXKJBHI-VIFPVBQESA-N 1 2 242.326 2.859 20 0 BFADLO c1[nH+]c2c(cc1NC1CCOCC1)CCCC2 ZINC000336506324 387331197 /nfs/dbraw/zinc/33/11/97/387331197.db2.gz OZFQPUKQQZQGEW-UHFFFAOYSA-N 1 2 232.327 2.551 20 0 BFADLO CC1(CC(F)(F)F)C[NH+](CC2(F)CC2)C1 ZINC000515042939 387334203 /nfs/dbraw/zinc/33/42/03/387334203.db2.gz ZSAUVIPLYJJEJU-UHFFFAOYSA-N 1 2 225.229 2.763 20 0 BFADLO COc1cc(F)cc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000648562985 387342624 /nfs/dbraw/zinc/34/26/24/387342624.db2.gz DHIBPXRSCRAIEK-UHFFFAOYSA-N 1 2 247.260 2.968 20 0 BFADLO CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000360763626 387347612 /nfs/dbraw/zinc/34/76/12/387347612.db2.gz ODENMZVMZUNTHM-IJLUTSLNSA-N 1 2 247.342 2.509 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NCc1ccccc1 ZINC000121479007 387353708 /nfs/dbraw/zinc/35/37/08/387353708.db2.gz KWGNTKVVTKXGER-UHFFFAOYSA-N 1 2 241.294 2.712 20 0 BFADLO Cc1ccc(N[C@H]2CCC23CCOCC3)c[nH+]1 ZINC000374350075 387446037 /nfs/dbraw/zinc/44/60/37/387446037.db2.gz LDSCKKHNBXRZQO-ZDUSSCGKSA-N 1 2 232.327 2.761 20 0 BFADLO Cc1ccc(C[NH2+][C@@H]2COc3ccc(F)cc32)o1 ZINC000336606381 387448706 /nfs/dbraw/zinc/44/87/06/387448706.db2.gz BIMGMYJLYKFQFD-CYBMUJFWSA-N 1 2 247.269 2.950 20 0 BFADLO CC(C)[C@@H](CO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354538786 387392617 /nfs/dbraw/zinc/39/26/17/387392617.db2.gz KSCFKARCHNQBSE-CYBMUJFWSA-N 1 2 248.301 2.803 20 0 BFADLO CCc1cccc(F)c1C[NH2+]Cc1cc(C)no1 ZINC000354553118 387393703 /nfs/dbraw/zinc/39/37/03/387393703.db2.gz WQWGCKPBFVKCHG-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336570515 387396083 /nfs/dbraw/zinc/39/60/83/387396083.db2.gz PZESALXCDHYGLF-ZWNOBZJWSA-N 1 2 243.310 2.886 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000336570515 387396086 /nfs/dbraw/zinc/39/60/86/387396086.db2.gz PZESALXCDHYGLF-ZWNOBZJWSA-N 1 2 243.310 2.886 20 0 BFADLO CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361062865 387396666 /nfs/dbraw/zinc/39/66/66/387396666.db2.gz NTSVLHFMOHEWQE-GWCFXTLKSA-N 1 2 233.311 2.515 20 0 BFADLO CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361062865 387396671 /nfs/dbraw/zinc/39/66/71/387396671.db2.gz NTSVLHFMOHEWQE-GWCFXTLKSA-N 1 2 233.311 2.515 20 0 BFADLO Fc1ccc2cc[nH+]c(NC[C@@H]3CCOC3)c2c1 ZINC000354574161 387398245 /nfs/dbraw/zinc/39/82/45/387398245.db2.gz UTIZJRJTMNJSAU-JTQLQIEISA-N 1 2 246.285 2.822 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000121723553 387404441 /nfs/dbraw/zinc/40/44/41/387404441.db2.gz ZZWOLTFKIYQQMZ-QWRGUYRKSA-N 1 2 233.315 2.795 20 0 BFADLO C[N@H+](CCF)Cc1ccccc1Br ZINC000266846843 387405722 /nfs/dbraw/zinc/40/57/22/387405722.db2.gz BGECTAFTWFFDCF-UHFFFAOYSA-N 1 2 246.123 2.850 20 0 BFADLO C[N@@H+](CCF)Cc1ccccc1Br ZINC000266846843 387405730 /nfs/dbraw/zinc/40/57/30/387405730.db2.gz BGECTAFTWFFDCF-UHFFFAOYSA-N 1 2 246.123 2.850 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cccc(C)c1C)C(=O)OC ZINC000083381216 387406320 /nfs/dbraw/zinc/40/63/20/387406320.db2.gz NFVVWIJNHOCIKE-CQSZACIVSA-N 1 2 249.354 2.735 20 0 BFADLO CCC[C@H]([NH2+]Cc1ccccc1C)C(=O)OCC ZINC000083381193 387407733 /nfs/dbraw/zinc/40/77/33/387407733.db2.gz WZQUAIZZKZJABN-AWEZNQCLSA-N 1 2 249.354 2.816 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000424768245 387408548 /nfs/dbraw/zinc/40/85/48/387408548.db2.gz AEKAEKGUTUIRJM-UTUOFQBUSA-N 1 2 249.358 2.803 20 0 BFADLO C[C@H](Cc1ccccc1)C[NH+]1CC(F)C1 ZINC000361157761 387408589 /nfs/dbraw/zinc/40/85/89/387408589.db2.gz YFYMVTGRFWWPRN-LLVKDONJSA-N 1 2 207.292 2.519 20 0 BFADLO CC(C)n1cc(C[N@H+](C)Cc2ccoc2)cn1 ZINC000352650595 387408713 /nfs/dbraw/zinc/40/87/13/387408713.db2.gz ZIWCACGKIPTFAH-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC(C)n1cc(C[N@@H+](C)Cc2ccoc2)cn1 ZINC000352650595 387408723 /nfs/dbraw/zinc/40/87/23/387408723.db2.gz ZIWCACGKIPTFAH-UHFFFAOYSA-N 1 2 233.315 2.689 20 0 BFADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000352720379 387460911 /nfs/dbraw/zinc/46/09/11/387460911.db2.gz UCMSHKNGFSCCMS-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)o2)C[C@@H](C)O1 ZINC000352720379 387460912 /nfs/dbraw/zinc/46/09/12/387460912.db2.gz UCMSHKNGFSCCMS-ZJUUUORDSA-N 1 2 243.734 2.932 20 0 BFADLO Cc1nc(N[C@H]2C[C@@]2(C)C(C)C)cc[nH+]1 ZINC000397141918 387543119 /nfs/dbraw/zinc/54/31/19/387543119.db2.gz AZGQIGVJNYIGRY-JQWIXIFHSA-N 1 2 205.305 2.632 20 0 BFADLO C[C@]1(F)CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000355367726 387527156 /nfs/dbraw/zinc/52/71/56/387527156.db2.gz QBLJONJNZPJQJI-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO C[C@]1(F)CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000355367726 387527159 /nfs/dbraw/zinc/52/71/59/387527159.db2.gz QBLJONJNZPJQJI-LBPRGKRZSA-N 1 2 229.245 2.899 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)CC(C)(C)C ZINC000355397573 387531642 /nfs/dbraw/zinc/53/16/42/387531642.db2.gz DGRHRKATIXMRMF-SNVBAGLBSA-N 1 2 234.343 2.823 20 0 BFADLO CCC(C)(C)NC(=O)NCc1c[nH+]c(C)cc1C ZINC000397045065 387534197 /nfs/dbraw/zinc/53/41/97/387534197.db2.gz UPBDVZRVXPJSSI-UHFFFAOYSA-N 1 2 249.358 2.686 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@H+](Cc2ccno2)C1 ZINC000374534614 387463681 /nfs/dbraw/zinc/46/36/81/387463681.db2.gz FBTIDFOAMYABMF-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO F[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccno2)C1 ZINC000374534614 387463687 /nfs/dbraw/zinc/46/36/87/387463687.db2.gz FBTIDFOAMYABMF-AWEZNQCLSA-N 1 2 246.285 2.745 20 0 BFADLO Cc1cn2c(n1)C[N@@H+](Cc1ccccc1C)CC2 ZINC000374709697 387485273 /nfs/dbraw/zinc/48/52/73/387485273.db2.gz KSFSNOSRIVSKAC-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cn2c(n1)C[N@H+](Cc1ccccc1C)CC2 ZINC000374709697 387485276 /nfs/dbraw/zinc/48/52/76/387485276.db2.gz KSFSNOSRIVSKAC-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO C[C@@]1(c2ccccc2)C[N@H+](CC2(F)CC2)CCO1 ZINC000527510869 387590037 /nfs/dbraw/zinc/59/00/37/387590037.db2.gz POQQYQYQSXDZLX-AWEZNQCLSA-N 1 2 249.329 2.736 20 0 BFADLO C[C@@]1(c2ccccc2)C[N@@H+](CC2(F)CC2)CCO1 ZINC000527510869 387590040 /nfs/dbraw/zinc/59/00/40/387590040.db2.gz POQQYQYQSXDZLX-AWEZNQCLSA-N 1 2 249.329 2.736 20 0 BFADLO CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000122724136 387593164 /nfs/dbraw/zinc/59/31/64/387593164.db2.gz YWJIZZAIBQFXEG-GHMZBOCLSA-N 1 2 237.347 2.500 20 0 BFADLO CCCc1nc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)no1 ZINC000122724136 387593165 /nfs/dbraw/zinc/59/31/65/387593165.db2.gz YWJIZZAIBQFXEG-GHMZBOCLSA-N 1 2 237.347 2.500 20 0 BFADLO Cc1nc(N2CC[C@H](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000362396779 387608001 /nfs/dbraw/zinc/60/80/01/387608001.db2.gz PWGYICJCUGACOI-ZDUSSCGKSA-N 1 2 231.343 2.638 20 0 BFADLO Cc1cc(NC(=O)[C@@H](C)CC(C)(C)C)cc[nH+]1 ZINC000356085148 387613321 /nfs/dbraw/zinc/61/33/21/387613321.db2.gz AZNDPLVNZHQXMK-JTQLQIEISA-N 1 2 234.343 2.823 20 0 BFADLO CC(C)CC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC1 ZINC000362525359 387624437 /nfs/dbraw/zinc/62/44/37/387624437.db2.gz RXVUDMMIADOPQZ-UHFFFAOYSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)oc1C ZINC000124660119 387625240 /nfs/dbraw/zinc/62/52/40/387625240.db2.gz OVOBWKFHNFAVRX-UHFFFAOYSA-N 1 2 230.267 2.852 20 0 BFADLO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccco1 ZINC000035139243 387551509 /nfs/dbraw/zinc/55/15/09/387551509.db2.gz ICSSTXFRQVLVCL-NSHDSACASA-N 1 2 241.294 2.778 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2cccnc2C)cs1 ZINC000125064235 387641996 /nfs/dbraw/zinc/64/19/96/387641996.db2.gz UHJKNAHWFXTUFF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2cccnc2C)cs1 ZINC000125064235 387642000 /nfs/dbraw/zinc/64/20/00/387642000.db2.gz UHJKNAHWFXTUFF-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1ccc(CNc2cc[nH+]c3ccncc23)cc1 ZINC000362832115 387664139 /nfs/dbraw/zinc/66/41/39/387664139.db2.gz VUUSOCQADNSXKA-UHFFFAOYSA-N 1 2 249.317 2.972 20 0 BFADLO Cn1c2cc(F)ccc2[nH]c1=[NH+]CC1CCCC1 ZINC000431016240 387669811 /nfs/dbraw/zinc/66/98/11/387669811.db2.gz ZEXGRCLQATZSAL-UHFFFAOYSA-N 1 2 247.317 2.736 20 0 BFADLO CC[C@H](F)C[N@H+](C)Cc1cnc(C)s1 ZINC000440708433 387675742 /nfs/dbraw/zinc/67/57/42/387675742.db2.gz YLZKIBRREZLOMG-VIFPVBQESA-N 1 2 216.325 2.631 20 0 BFADLO CC[C@H](F)C[N@@H+](C)Cc1cnc(C)s1 ZINC000440708433 387675746 /nfs/dbraw/zinc/67/57/46/387675746.db2.gz YLZKIBRREZLOMG-VIFPVBQESA-N 1 2 216.325 2.631 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000440708924 387677657 /nfs/dbraw/zinc/67/76/57/387677657.db2.gz AWLQJHJFADUTBK-ZIAGYGMSSA-N 1 2 237.318 2.808 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000440708924 387677664 /nfs/dbraw/zinc/67/76/64/387677664.db2.gz AWLQJHJFADUTBK-ZIAGYGMSSA-N 1 2 237.318 2.808 20 0 BFADLO OCCC[N@@H+]1CCCCCc2ccccc21 ZINC000440749691 387682876 /nfs/dbraw/zinc/68/28/76/387682876.db2.gz RLMODTRRSCZKRG-UHFFFAOYSA-N 1 2 219.328 2.602 20 0 BFADLO OCCC[N@H+]1CCCCCc2ccccc21 ZINC000440749691 387682883 /nfs/dbraw/zinc/68/28/83/387682883.db2.gz RLMODTRRSCZKRG-UHFFFAOYSA-N 1 2 219.328 2.602 20 0 BFADLO CCC(CC)[C@@H](C)C(=O)Nc1ccc(N)[nH+]c1 ZINC000422787418 387687120 /nfs/dbraw/zinc/68/71/20/387687120.db2.gz LXMFSNRKPLLNDR-SECBINFHSA-N 1 2 235.331 2.505 20 0 BFADLO CCc1cnc(C[N@@H+](C)C[C@H](F)CC)s1 ZINC000440771113 387689944 /nfs/dbraw/zinc/68/99/44/387689944.db2.gz MHOBSBYBPCCGLG-SECBINFHSA-N 1 2 230.352 2.885 20 0 BFADLO CCc1cnc(C[N@H+](C)C[C@H](F)CC)s1 ZINC000440771113 387689952 /nfs/dbraw/zinc/68/99/52/387689952.db2.gz MHOBSBYBPCCGLG-SECBINFHSA-N 1 2 230.352 2.885 20 0 BFADLO Cc1ccoc1C[NH2+][C@@H](C)c1ncccc1F ZINC000527826725 387745867 /nfs/dbraw/zinc/74/58/67/387745867.db2.gz SRGGMPMWROSISA-JTQLQIEISA-N 1 2 234.274 2.973 20 0 BFADLO CC[C@@H](F)C[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000440793028 387702686 /nfs/dbraw/zinc/70/26/86/387702686.db2.gz OEAVKVIZOIZXCU-LLVKDONJSA-N 1 2 247.354 2.787 20 0 BFADLO CC[C@@H](F)C[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000440793028 387702691 /nfs/dbraw/zinc/70/26/91/387702691.db2.gz OEAVKVIZOIZXCU-LLVKDONJSA-N 1 2 247.354 2.787 20 0 BFADLO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(F)cn1 ZINC000356707800 387706493 /nfs/dbraw/zinc/70/64/93/387706493.db2.gz YZWKDJHFJRAGFR-VIFPVBQESA-N 1 2 249.264 2.606 20 0 BFADLO C[C@H]1CCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431422297 387707693 /nfs/dbraw/zinc/70/76/93/387707693.db2.gz NBWSFDZZZRQXAW-VIFPVBQESA-N 1 2 233.290 2.701 20 0 BFADLO C[C@@H]1C[C@@H](C)N(c2[nH+]c3ccc(F)cc3n2C)C1 ZINC000431427975 387708148 /nfs/dbraw/zinc/70/81/48/387708148.db2.gz RRNNCFYOAQUXEZ-NXEZZACHSA-N 1 2 247.317 2.947 20 0 BFADLO C[C@@H]1CCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431422296 387708251 /nfs/dbraw/zinc/70/82/51/387708251.db2.gz NBWSFDZZZRQXAW-SECBINFHSA-N 1 2 233.290 2.701 20 0 BFADLO COc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000527818644 387708783 /nfs/dbraw/zinc/70/87/83/387708783.db2.gz BFGMBTGZMRANBN-UHFFFAOYSA-N 1 2 240.306 2.653 20 0 BFADLO COCc1cccc(COc2cc[nH+]cc2)c1 ZINC000431488732 387713763 /nfs/dbraw/zinc/71/37/63/387713763.db2.gz QZXQJYXRVKHMOC-UHFFFAOYSA-N 1 2 229.279 2.807 20 0 BFADLO COc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000431486376 387713880 /nfs/dbraw/zinc/71/38/80/387713880.db2.gz KWCNIKKTDBYJCA-UHFFFAOYSA-N 1 2 245.278 2.548 20 0 BFADLO Fc1ccccc1OCCOc1cc[nH+]cc1 ZINC000431497562 387714565 /nfs/dbraw/zinc/71/45/65/387714565.db2.gz RIYJGABYPYLDRM-UHFFFAOYSA-N 1 2 233.242 2.679 20 0 BFADLO COCCCN(C)c1[nH+]ccc2ccccc21 ZINC000527865858 387736538 /nfs/dbraw/zinc/73/65/38/387736538.db2.gz LQLZHQYNSXEBKQ-UHFFFAOYSA-N 1 2 230.311 2.708 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)[C@@H]1CC12CC2 ZINC000527908579 387764536 /nfs/dbraw/zinc/76/45/36/387764536.db2.gz FIOIOCSONBTJDB-CSMHCCOUSA-N 1 2 207.239 2.715 20 0 BFADLO Cc1ccc(N[C@@H](C)[C@H]2CC23CC3)c[nH+]1 ZINC000527883728 387771605 /nfs/dbraw/zinc/77/16/05/387771605.db2.gz DMRIHBZVJOAGOW-CMPLNLGQSA-N 1 2 202.301 2.991 20 0 BFADLO Cc1nc(CNc2ccc(N(C)C)c[nH+]2)cs1 ZINC000150903944 387780658 /nfs/dbraw/zinc/78/06/58/387780658.db2.gz KCBAVMAXUAOUEG-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO Cc1ccc(CNc2cccc(CO)[nH+]2)cc1F ZINC000432750030 387812615 /nfs/dbraw/zinc/81/26/15/387812615.db2.gz XCRXGBADYHNADH-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1cccc(CNc2cccc(CO)[nH+]2)c1C ZINC000432746512 387812715 /nfs/dbraw/zinc/81/27/15/387812715.db2.gz CPCISOYZVBWLTA-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CC(C)[C@@H](NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000168816568 387798064 /nfs/dbraw/zinc/79/80/64/387798064.db2.gz JBXDMAZUZGPYFJ-SECBINFHSA-N 1 2 239.319 2.632 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452334220 387804274 /nfs/dbraw/zinc/80/42/74/387804274.db2.gz MAVSZILWMYNMFD-GHMZBOCLSA-N 1 2 249.358 2.840 20 0 BFADLO CC[C@@]1(O)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527968226 387811026 /nfs/dbraw/zinc/81/10/26/387811026.db2.gz QECAKTZLCDUKSE-OAHLLOKOSA-N 1 2 242.322 2.586 20 0 BFADLO Cc1cc(CNc2cccc(CO)[nH+]2)ccc1F ZINC000432751957 387811636 /nfs/dbraw/zinc/81/16/36/387811636.db2.gz GRXQFTNFQDCTMW-UHFFFAOYSA-N 1 2 246.285 2.634 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccnc2)o1 ZINC000356971750 387756938 /nfs/dbraw/zinc/75/69/38/387756938.db2.gz BMSGQGUVBVGUAN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccnc2)o1 ZINC000356971750 387756943 /nfs/dbraw/zinc/75/69/43/387756943.db2.gz BMSGQGUVBVGUAN-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccoc2)o1 ZINC000356974282 387757944 /nfs/dbraw/zinc/75/79/44/387757944.db2.gz APVWVWXGNUHACN-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccoc2)o1 ZINC000356974282 387757951 /nfs/dbraw/zinc/75/79/51/387757951.db2.gz APVWVWXGNUHACN-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO CCCC[N@H+](CC)Cc1noc(CCC)n1 ZINC000054988939 387830439 /nfs/dbraw/zinc/83/04/39/387830439.db2.gz QPDAEBLIVUQRMX-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCCC[N@@H+](CC)Cc1noc(CCC)n1 ZINC000054988939 387830444 /nfs/dbraw/zinc/83/04/44/387830444.db2.gz QPDAEBLIVUQRMX-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cocn1 ZINC000432924692 387840515 /nfs/dbraw/zinc/84/05/15/387840515.db2.gz NFZZLSREEHDYSA-WPRPVWTQSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cocn1 ZINC000432924692 387840521 /nfs/dbraw/zinc/84/05/21/387840521.db2.gz NFZZLSREEHDYSA-WPRPVWTQSA-N 1 2 248.248 2.837 20 0 BFADLO CC1CC[NH+](Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442795280 387841489 /nfs/dbraw/zinc/84/14/89/387841489.db2.gz DWVOZABPJUHBLD-UHFFFAOYSA-N 1 2 247.264 2.660 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cocn1 ZINC000432924690 387842053 /nfs/dbraw/zinc/84/20/53/387842053.db2.gz NFZZLSREEHDYSA-SCZZXKLOSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cocn1 ZINC000432924690 387842054 /nfs/dbraw/zinc/84/20/54/387842054.db2.gz NFZZLSREEHDYSA-SCZZXKLOSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cocn1 ZINC000432924686 387842098 /nfs/dbraw/zinc/84/20/98/387842098.db2.gz NFZZLSREEHDYSA-PSASIEDQSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cocn1 ZINC000432924686 387842103 /nfs/dbraw/zinc/84/21/03/387842103.db2.gz NFZZLSREEHDYSA-PSASIEDQSA-N 1 2 248.248 2.837 20 0 BFADLO c1cc(NC[C@@H]2CC[C@H]3C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000528072286 387842490 /nfs/dbraw/zinc/84/24/90/387842490.db2.gz VWLJSWIEWZEVDC-KGYLQXTDSA-N 1 2 243.354 2.624 20 0 BFADLO CC[C@H](NC(=O)[C@@H]1C[C@]1(C)C(C)C)c1[nH]cc[nH+]1 ZINC000442821571 387845507 /nfs/dbraw/zinc/84/55/07/387845507.db2.gz MZYHVDMKPCSWKS-COPLHBTASA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@H](NC(=O)[C@H]1C[C@]1(C)C(C)C)c1[nH]cc[nH+]1 ZINC000442821579 387846353 /nfs/dbraw/zinc/84/63/53/387846353.db2.gz MZYHVDMKPCSWKS-UHIISALHSA-N 1 2 249.358 2.659 20 0 BFADLO CC[C@@H](NC(=O)[C@H](C)CC(C)C)c1[nH]cc[nH+]1 ZINC000442812500 387846899 /nfs/dbraw/zinc/84/68/99/387846899.db2.gz RRNZRUBSBDMKOO-GHMZBOCLSA-N 1 2 237.347 2.659 20 0 BFADLO Cc1ccc(CNc2cccc(CO)[nH+]2)c(C)c1 ZINC000432753977 387815438 /nfs/dbraw/zinc/81/54/38/387815438.db2.gz HKQNDGKNXKAOBE-UHFFFAOYSA-N 1 2 242.322 2.803 20 0 BFADLO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCOC1)C(F)(F)F ZINC000309539761 387816766 /nfs/dbraw/zinc/81/67/66/387816766.db2.gz GDOIFJTVDJMJDL-IUCAKERBSA-N 1 2 239.281 2.590 20 0 BFADLO Fc1ccc2[nH+]c(NCc3cccnc3)[nH]c2c1 ZINC000236189922 387876239 /nfs/dbraw/zinc/87/62/39/387876239.db2.gz RPRROMWDBBMSTR-UHFFFAOYSA-N 1 2 242.257 2.709 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000443996220 387882235 /nfs/dbraw/zinc/88/22/35/387882235.db2.gz JEPQRHJTPXTKIE-BXKDBHETSA-N 1 2 231.343 2.685 20 0 BFADLO FC(F)C[N@H+](CC1=CCCC1)C1CC1 ZINC000645800708 387939135 /nfs/dbraw/zinc/93/91/35/387939135.db2.gz JTGLUTNSMXRGRT-UHFFFAOYSA-N 1 2 201.260 2.826 20 0 BFADLO FC(F)C[N@@H+](CC1=CCCC1)C1CC1 ZINC000645800708 387939138 /nfs/dbraw/zinc/93/91/38/387939138.db2.gz JTGLUTNSMXRGRT-UHFFFAOYSA-N 1 2 201.260 2.826 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCO[C@H](C)C1 ZINC000245552374 387960650 /nfs/dbraw/zinc/96/06/50/387960650.db2.gz QJFULBLCQGDFNH-GHMZBOCLSA-N 1 2 246.310 2.610 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCO[C@H](C)C1 ZINC000245552374 387960654 /nfs/dbraw/zinc/96/06/54/387960654.db2.gz QJFULBLCQGDFNH-GHMZBOCLSA-N 1 2 246.310 2.610 20 0 BFADLO COCC1CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000424313291 387965931 /nfs/dbraw/zinc/96/59/31/387965931.db2.gz ASNDPVXOTYDGFQ-XNWIYYODSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1F ZINC000245752164 387981236 /nfs/dbraw/zinc/98/12/36/387981236.db2.gz NZDZFORJMBQJAD-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1F ZINC000245752164 387981238 /nfs/dbraw/zinc/98/12/38/387981238.db2.gz NZDZFORJMBQJAD-NEPJUHHUSA-N 1 2 237.318 2.743 20 0 BFADLO C[C@@H](c1ccccn1)[N@@H+]1CCc2ncsc2C1 ZINC000445846904 387974295 /nfs/dbraw/zinc/97/42/95/387974295.db2.gz BMXLMGZRGHXVMW-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@@H](c1ccccn1)[N@H+]1CCc2ncsc2C1 ZINC000445846904 387974297 /nfs/dbraw/zinc/97/42/97/387974297.db2.gz BMXLMGZRGHXVMW-JTQLQIEISA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1CCc2ncsc2C1 ZINC000445847934 387974688 /nfs/dbraw/zinc/97/46/88/387974688.db2.gz UJUKTDKAPSTBAB-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1CCc2ncsc2C1 ZINC000445847934 387974693 /nfs/dbraw/zinc/97/46/93/387974693.db2.gz UJUKTDKAPSTBAB-SNVBAGLBSA-N 1 2 245.351 2.657 20 0 BFADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccco1 ZINC000453093427 387982852 /nfs/dbraw/zinc/98/28/52/387982852.db2.gz RGDSBGPIJIAJEM-QWRGUYRKSA-N 1 2 233.315 2.908 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@@H](C)C2(C)CC2)[nH+]1 ZINC000439596308 388008858 /nfs/dbraw/zinc/00/88/58/388008858.db2.gz OCVWCNOLQDFIPZ-VIFPVBQESA-N 1 2 244.342 2.891 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@H](C)C2(C)CC2)[nH+]1 ZINC000439596307 388009464 /nfs/dbraw/zinc/00/94/64/388009464.db2.gz OCVWCNOLQDFIPZ-SECBINFHSA-N 1 2 244.342 2.891 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1cccnc1)C(F)F ZINC000453245674 388023110 /nfs/dbraw/zinc/02/31/10/388023110.db2.gz LRXOJMAVQWJHDB-PSASIEDQSA-N 1 2 214.259 2.776 20 0 BFADLO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C(F)F ZINC000453245679 388023191 /nfs/dbraw/zinc/02/31/91/388023191.db2.gz LRXOJMAVQWJHDB-WCBMZHEXSA-N 1 2 214.259 2.776 20 0 BFADLO C[C@H](CC[NH+]1CC(F)C1)c1ccccc1 ZINC000446750336 388035100 /nfs/dbraw/zinc/03/51/00/388035100.db2.gz GPLVUYAJBAQLJV-LLVKDONJSA-N 1 2 207.292 2.834 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)N[C@H](C)C(C)(F)F ZINC000453302570 388037356 /nfs/dbraw/zinc/03/73/56/388037356.db2.gz ZZPBOYMHFYLZDT-DTWKUNHWSA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@@H]1CO[C@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000447080730 388053177 /nfs/dbraw/zinc/05/31/77/388053177.db2.gz YSKAUQVUTFAWAL-VXGBXAGGSA-N 1 2 249.358 2.604 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000453350145 388055929 /nfs/dbraw/zinc/05/59/29/388055929.db2.gz GAPCXYIPNFAPRR-JTQLQIEISA-N 1 2 234.299 2.989 20 0 BFADLO Cc1ccc(NC(=O)NC[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000447191726 388056235 /nfs/dbraw/zinc/05/62/35/388056235.db2.gz HMSHUWIHKRKRCJ-LLVKDONJSA-N 1 2 247.342 2.866 20 0 BFADLO Fc1cccc(F)c1CC[N@H+]1CC[C@@H](F)C1 ZINC000645924842 388059651 /nfs/dbraw/zinc/05/96/51/388059651.db2.gz AVTLEFPSFJKCKM-SECBINFHSA-N 1 2 229.245 2.551 20 0 BFADLO Fc1cccc(F)c1CC[N@@H+]1CC[C@@H](F)C1 ZINC000645924842 388059655 /nfs/dbraw/zinc/05/96/55/388059655.db2.gz AVTLEFPSFJKCKM-SECBINFHSA-N 1 2 229.245 2.551 20 0 BFADLO CCC[N@@H+](CC(=O)OC(C)(C)C)C[C@@H](F)CC ZINC000440502595 388045409 /nfs/dbraw/zinc/04/54/09/388045409.db2.gz HTCRYYDGWMVPDE-NSHDSACASA-N 1 2 247.354 2.788 20 0 BFADLO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](F)CC ZINC000440502595 388045413 /nfs/dbraw/zinc/04/54/13/388045413.db2.gz HTCRYYDGWMVPDE-NSHDSACASA-N 1 2 247.354 2.788 20 0 BFADLO CCC=CC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000453331043 388049785 /nfs/dbraw/zinc/04/97/85/388049785.db2.gz VJVGPKJRTZGROV-BYCRGOAPSA-N 1 2 248.355 2.511 20 0 BFADLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000440522192 388050612 /nfs/dbraw/zinc/05/06/12/388050612.db2.gz UGXVSSKSSKDKFL-WDEREUQCSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](F)C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000440522192 388050614 /nfs/dbraw/zinc/05/06/14/388050614.db2.gz UGXVSSKSSKDKFL-WDEREUQCSA-N 1 2 245.338 2.541 20 0 BFADLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccncc1F ZINC000449239901 388161179 /nfs/dbraw/zinc/16/11/79/388161179.db2.gz LRQTZKMWMGYFSN-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccncc1F ZINC000449239901 388161181 /nfs/dbraw/zinc/16/11/81/388161181.db2.gz LRQTZKMWMGYFSN-NSHDSACASA-N 1 2 245.301 2.809 20 0 BFADLO Cc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1F ZINC000449255697 388163513 /nfs/dbraw/zinc/16/35/13/388163513.db2.gz GFFPAXHZWQBFGQ-AWEZNQCLSA-N 1 2 249.329 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2CCO[C@H](C3CC3)C2)c1F ZINC000449255697 388163515 /nfs/dbraw/zinc/16/35/15/388163515.db2.gz GFFPAXHZWQBFGQ-AWEZNQCLSA-N 1 2 249.329 2.745 20 0 BFADLO FCC(CF)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000449379733 388187931 /nfs/dbraw/zinc/18/79/31/388187931.db2.gz JZWLCSDZWKGIKG-OWOJBTEDSA-N 1 2 229.245 2.736 20 0 BFADLO FCC(CF)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000449378928 388187966 /nfs/dbraw/zinc/18/79/66/388187966.db2.gz GQZXTHJMIZSTDR-OWOJBTEDSA-N 1 2 247.235 2.875 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C2CC2)C2COC2)o1 ZINC000449353057 388180200 /nfs/dbraw/zinc/18/02/00/388180200.db2.gz ZUQPIWHTIKLKEC-YGRLFVJLSA-N 1 2 247.338 2.766 20 0 BFADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C2CC2)C2COC2)o1 ZINC000449353057 388180201 /nfs/dbraw/zinc/18/02/01/388180201.db2.gz ZUQPIWHTIKLKEC-YGRLFVJLSA-N 1 2 247.338 2.766 20 0 BFADLO CC[C@H]([NH2+]Cc1ccnn1C(C)C)C(F)F ZINC000449363963 388182422 /nfs/dbraw/zinc/18/24/22/388182422.db2.gz QQHIMRZAXIDJGT-JTQLQIEISA-N 1 2 231.290 2.597 20 0 BFADLO CC[C@H]([NH2+]Cc1ccc(COC)cc1)C(F)F ZINC000449366242 388183076 /nfs/dbraw/zinc/18/30/76/388183076.db2.gz YFKRFHWJLGEHEW-LBPRGKRZSA-N 1 2 243.297 2.966 20 0 BFADLO CSc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449371930 388185155 /nfs/dbraw/zinc/18/51/55/388185155.db2.gz ACLCLBRCKRARLJ-UHFFFAOYSA-N 1 2 231.311 2.806 20 0 BFADLO CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000448935765 388121402 /nfs/dbraw/zinc/12/14/02/388121402.db2.gz JTBFKOLKZFNUGS-NWDGAFQWSA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000448990355 388126308 /nfs/dbraw/zinc/12/63/08/388126308.db2.gz GWPDVBFGUBPHTJ-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000448990355 388126311 /nfs/dbraw/zinc/12/63/11/388126311.db2.gz GWPDVBFGUBPHTJ-TXEJJXNPSA-N 1 2 237.318 2.743 20 0 BFADLO CC[C@H]1C[N@H+](Cc2cccc(C)c2F)CCO1 ZINC000449011098 388128701 /nfs/dbraw/zinc/12/87/01/388128701.db2.gz XSVGCUVKJAOBOB-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO CC[C@H]1C[N@@H+](Cc2cccc(C)c2F)CCO1 ZINC000449011098 388128704 /nfs/dbraw/zinc/12/87/04/388128704.db2.gz XSVGCUVKJAOBOB-ZDUSSCGKSA-N 1 2 237.318 2.745 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1F ZINC000449017304 388130497 /nfs/dbraw/zinc/13/04/97/388130497.db2.gz YHCBPZYJFAMTMX-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1F ZINC000449017304 388130498 /nfs/dbraw/zinc/13/04/98/388130498.db2.gz YHCBPZYJFAMTMX-RYUDHWBXSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1cccc(CC[N@@H+](C)CC(F)F)c1 ZINC000449017532 388130665 /nfs/dbraw/zinc/13/06/65/388130665.db2.gz IGKHSFXPOTYNRU-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO Cc1cccc(CC[N@H+](C)CC(F)F)c1 ZINC000449017532 388130667 /nfs/dbraw/zinc/13/06/67/388130667.db2.gz IGKHSFXPOTYNRU-UHFFFAOYSA-N 1 2 213.271 2.734 20 0 BFADLO FCC(CF)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000449377492 388186821 /nfs/dbraw/zinc/18/68/21/388186821.db2.gz ALQCSRNCYACOCX-UHFFFAOYSA-N 1 2 239.187 2.501 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)NC(C)(C)C(C)(C)C ZINC000455031884 388145354 /nfs/dbraw/zinc/14/53/54/388145354.db2.gz HXKPMEPORVULJE-UHFFFAOYSA-N 1 2 249.358 2.758 20 0 BFADLO CSc1ccc(C[NH2+]C(CF)CF)s1 ZINC000449377515 388186944 /nfs/dbraw/zinc/18/69/44/388186944.db2.gz ATYAGGYHKLZXPY-UHFFFAOYSA-N 1 2 237.340 2.867 20 0 BFADLO FCC(CF)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000449382485 388190080 /nfs/dbraw/zinc/19/00/80/388190080.db2.gz XDWBCTJFVNCZHQ-UHFFFAOYSA-N 1 2 242.244 2.704 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1(CC)CCC1 ZINC000456367715 388197574 /nfs/dbraw/zinc/19/75/74/388197574.db2.gz XBQZZARVAURSSY-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC000456370740 388197793 /nfs/dbraw/zinc/19/77/93/388197793.db2.gz YGVUWYPMLKGINT-JTQLQIEISA-N 1 2 249.358 2.516 20 0 BFADLO CCC(CC)C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000456383762 388198588 /nfs/dbraw/zinc/19/85/88/388198588.db2.gz LPDLNNXOGBSMTP-JTQLQIEISA-N 1 2 237.347 2.516 20 0 BFADLO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)C)c2[nH+]ccn21 ZINC000456405795 388199391 /nfs/dbraw/zinc/19/93/91/388199391.db2.gz XRWFUPYRWLLCOQ-MNOVXSKESA-N 1 2 249.358 2.831 20 0 BFADLO CCn1cc[nH+]c1[C@H](C)NC(=O)C(C)(C)CC ZINC000456409491 388200411 /nfs/dbraw/zinc/20/04/11/388200411.db2.gz ZWLNLXHCCMOIQG-JTQLQIEISA-N 1 2 237.347 2.516 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456433386 388200902 /nfs/dbraw/zinc/20/09/02/388200902.db2.gz UETWXNXGAVPXKJ-BJDJZHNGSA-N 1 2 249.358 2.687 20 0 BFADLO CC[N@H+](Cc1cc(F)cc(Cl)c1)C1COC1 ZINC000449430002 388204136 /nfs/dbraw/zinc/20/41/36/388204136.db2.gz YGUZCADOCNJNFF-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CC[N@@H+](Cc1cc(F)cc(Cl)c1)C1COC1 ZINC000449430002 388204137 /nfs/dbraw/zinc/20/41/37/388204137.db2.gz YGUZCADOCNJNFF-UHFFFAOYSA-N 1 2 243.709 2.700 20 0 BFADLO CCC1(C(=O)NCc2c[nH+]c(C)cc2C)CCC1 ZINC000456832928 388226436 /nfs/dbraw/zinc/22/64/36/388226436.db2.gz FRWRFSIGCZEYLE-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CC[C@@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456846995 388227017 /nfs/dbraw/zinc/22/70/17/388227017.db2.gz UNJFWBNPVQPMMR-SNVBAGLBSA-N 1 2 234.343 2.751 20 0 BFADLO CCCc1ncc(C[NH2+]Cc2ccco2)o1 ZINC000449610171 388242583 /nfs/dbraw/zinc/24/25/83/388242583.db2.gz FOCYQJUYHNBNDM-UHFFFAOYSA-N 1 2 220.272 2.510 20 0 BFADLO CCc1ncc(C[NH2+]Cc2cccc(C)c2F)o1 ZINC000449613376 388243354 /nfs/dbraw/zinc/24/33/54/388243354.db2.gz RUZMQDNTWVNERP-UHFFFAOYSA-N 1 2 248.301 2.974 20 0 BFADLO CCn1cc[nH+]c1/C=C\C(=O)NC(C)(CC)CC ZINC000492408916 388343717 /nfs/dbraw/zinc/34/37/17/388343717.db2.gz OYFQFDNHRXLTJE-HJWRWDBZSA-N 1 2 249.358 2.611 20 0 BFADLO CCOC[C@@H](Nc1cccc[nH+]1)C(C)C ZINC000233767108 388348177 /nfs/dbraw/zinc/34/81/77/388348177.db2.gz NCONACDUQBUDCL-LLVKDONJSA-N 1 2 208.305 2.555 20 0 BFADLO COC[C@@H](C)Nc1[nH+]ccc2c(OC)cccc21 ZINC000234700833 388358311 /nfs/dbraw/zinc/35/83/11/388358311.db2.gz BACOZGQYYIRIPI-SNVBAGLBSA-N 1 2 246.310 2.690 20 0 BFADLO Fc1ccc(/C=C/C[NH2+]CC(F)F)cc1 ZINC000291391013 388375652 /nfs/dbraw/zinc/37/56/52/388375652.db2.gz COEJTUNXZUCGNX-OWOJBTEDSA-N 1 2 215.218 2.694 20 0 BFADLO Cc1ccc(C[NH2+]Cc2ccn(C)n2)c(Cl)c1 ZINC000235892613 388376087 /nfs/dbraw/zinc/37/60/87/388376087.db2.gz XFWFERXKICAFLZ-UHFFFAOYSA-N 1 2 249.745 2.672 20 0 BFADLO Clc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000293576831 388390477 /nfs/dbraw/zinc/39/04/77/388390477.db2.gz AIWFJHLBZHITBS-GFCCVEGCSA-N 1 2 247.729 2.771 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCC[C@H](C(C)C)C1 ZINC000520252800 256667397 /nfs/dbraw/zinc/66/73/97/256667397.db2.gz HEKKVGXLQBODFZ-ZDUSSCGKSA-N 1 2 233.359 2.966 20 0 BFADLO Clc1ccccc1C[NH2+]Cc1cocn1 ZINC000237881889 388399497 /nfs/dbraw/zinc/39/94/97/388399497.db2.gz KLMDRSRFNXMDQW-UHFFFAOYSA-N 1 2 222.675 2.618 20 0 BFADLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000308626055 388444976 /nfs/dbraw/zinc/44/49/76/388444976.db2.gz WIUUJTCJXRFLRC-XAVMHZPKSA-N 1 2 209.255 2.961 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000242988582 388475887 /nfs/dbraw/zinc/47/58/87/388475887.db2.gz HSPJEKKLBXDLIW-NWDGAFQWSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@@H](C)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000242988582 388475890 /nfs/dbraw/zinc/47/58/90/388475890.db2.gz HSPJEKKLBXDLIW-NWDGAFQWSA-N 1 2 248.374 2.923 20 0 BFADLO CCCCNc1cc(NCCCC)[nH+]cn1 ZINC000243076103 388476462 /nfs/dbraw/zinc/47/64/62/388476462.db2.gz INYXYKGGBYVLNI-UHFFFAOYSA-N 1 2 222.336 2.901 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@H]1CCOC1(C)C ZINC000295887967 388414761 /nfs/dbraw/zinc/41/47/61/388414761.db2.gz BJJFXZBGQIRGJT-LBPRGKRZSA-N 1 2 245.326 2.553 20 0 BFADLO Cn1c2ccccc2[nH+]c1N[C@@H]1CCOC1(C)C ZINC000295887964 388414821 /nfs/dbraw/zinc/41/48/21/388414821.db2.gz BJJFXZBGQIRGJT-GFCCVEGCSA-N 1 2 245.326 2.553 20 0 BFADLO c1nc(NC2CC2)cc(NC2CCCCC2)[nH+]1 ZINC000243679040 388482728 /nfs/dbraw/zinc/48/27/28/388482728.db2.gz PFRKRVDSENNENG-UHFFFAOYSA-N 1 2 232.331 2.796 20 0 BFADLO c1nc(NC2CCCCC2)cc(NC2CC2)[nH+]1 ZINC000243679040 388482732 /nfs/dbraw/zinc/48/27/32/388482732.db2.gz PFRKRVDSENNENG-UHFFFAOYSA-N 1 2 232.331 2.796 20 0 BFADLO CC(C)OCCC[N@H+](CC(F)F)C(C)C ZINC000135415627 388494722 /nfs/dbraw/zinc/49/47/22/388494722.db2.gz LGUCEHSGXVKUCJ-UHFFFAOYSA-N 1 2 223.307 2.777 20 0 BFADLO CC(C)OCCC[N@@H+](CC(F)F)C(C)C ZINC000135415627 388494724 /nfs/dbraw/zinc/49/47/24/388494724.db2.gz LGUCEHSGXVKUCJ-UHFFFAOYSA-N 1 2 223.307 2.777 20 0 BFADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000135508303 388498880 /nfs/dbraw/zinc/49/88/80/388498880.db2.gz PUIZVZKCDYZCCW-DGCLKSJQSA-N 1 2 218.300 2.765 20 0 BFADLO Cc1ncc(C[NH2+]Cc2c(F)cccc2F)o1 ZINC000397853571 388506282 /nfs/dbraw/zinc/50/62/82/388506282.db2.gz ADLFHGFSLSJMPO-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccco1 ZINC000345351968 388511766 /nfs/dbraw/zinc/51/17/66/388511766.db2.gz PEIHYKSMFSMLBF-DCAQKATOSA-N 1 2 231.299 2.833 20 0 BFADLO CCC(C)(CC)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000516774206 388516821 /nfs/dbraw/zinc/51/68/21/388516821.db2.gz IUNURNDUVJCIQS-NSHDSACASA-N 1 2 237.347 2.529 20 0 BFADLO Cc1nc2[nH]ccc2c(N(C)[C@@H](C)C2CC2)[nH+]1 ZINC000517068355 256813816 /nfs/dbraw/zinc/81/38/16/256813816.db2.gz HNGCDALDSHFBMI-QMMMGPOBSA-N 1 2 230.315 2.501 20 0 BFADLO CCCC[C@@H](COC)Nc1[nH+]cccc1OC ZINC000548195556 388520733 /nfs/dbraw/zinc/52/07/33/388520733.db2.gz AOKJQNPSYQFFSO-NSHDSACASA-N 1 2 238.331 2.707 20 0 BFADLO C/C(Cl)=C/C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480612 388532035 /nfs/dbraw/zinc/53/20/35/388532035.db2.gz GKTWJJYUODYBTD-YOOZJCNJSA-N 1 2 225.723 2.689 20 0 BFADLO C/C(Cl)=C/C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000528480612 388532038 /nfs/dbraw/zinc/53/20/38/388532038.db2.gz GKTWJJYUODYBTD-YOOZJCNJSA-N 1 2 225.723 2.689 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000185677750 388590282 /nfs/dbraw/zinc/59/02/82/388590282.db2.gz FJTDUWRYJSGSHY-VXGBXAGGSA-N 1 2 232.327 2.929 20 0 BFADLO CCC(F)(F)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623678899 388613760 /nfs/dbraw/zinc/61/37/60/388613760.db2.gz AQDBYWIEKHYNJU-UHFFFAOYSA-N 1 2 239.269 2.698 20 0 BFADLO CCC(F)(F)CNCc1cc(OC)cc(C)[nH+]1 ZINC000623678983 388613793 /nfs/dbraw/zinc/61/37/93/388613793.db2.gz DPRMAJJKHZAASA-UHFFFAOYSA-N 1 2 244.285 2.534 20 0 BFADLO CC[C@H](O)CCCNc1ccc2ccccc2[nH+]1 ZINC000357489734 388552361 /nfs/dbraw/zinc/55/23/61/388552361.db2.gz RLQHJAWPFAXJFW-ZDUSSCGKSA-N 1 2 244.338 2.620 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOCC(F)(F)C1 ZINC000517626343 388555399 /nfs/dbraw/zinc/55/53/99/388555399.db2.gz CPLWRHNCTAPNRM-VXGBXAGGSA-N 1 2 247.329 2.780 20 0 BFADLO C[C@@H]1CCCC[C@@H]1C[N@H+]1CCOCC(F)(F)C1 ZINC000517626343 388555401 /nfs/dbraw/zinc/55/54/01/388555401.db2.gz CPLWRHNCTAPNRM-VXGBXAGGSA-N 1 2 247.329 2.780 20 0 BFADLO CC(C)CCc1noc(C[NH+]2[C@H](C)C[C@H]2C)n1 ZINC000548754170 388557858 /nfs/dbraw/zinc/55/78/58/388557858.db2.gz VMNNAQFHEMSVMX-GHMZBOCLSA-N 1 2 237.347 2.641 20 0 BFADLO C[C@@H](C1CC1)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000548816931 388564410 /nfs/dbraw/zinc/56/44/10/388564410.db2.gz MBKLBLXHLNNDNK-VIFPVBQESA-N 1 2 217.316 2.589 20 0 BFADLO CCc1cccc(C[NH2+]Cc2nnc(C)s2)c1 ZINC000521256470 388566794 /nfs/dbraw/zinc/56/67/94/388566794.db2.gz QRQFLEXSNLKDDI-UHFFFAOYSA-N 1 2 247.367 2.699 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)no1 ZINC000247539973 388666421 /nfs/dbraw/zinc/66/64/21/388666421.db2.gz PARMEZPUCXEDBM-NWDGAFQWSA-N 1 2 249.358 2.958 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)no1 ZINC000247539973 388666424 /nfs/dbraw/zinc/66/64/24/388666424.db2.gz PARMEZPUCXEDBM-NWDGAFQWSA-N 1 2 249.358 2.958 20 0 BFADLO COc1cccc2c1CC[C@@H]2[NH2+]CC(C)(F)F ZINC000551253930 388625035 /nfs/dbraw/zinc/62/50/35/388625035.db2.gz QCIJOVXJAFJWJS-NSHDSACASA-N 1 2 241.281 2.927 20 0 BFADLO C[C@@H](NC(=O)C1(C)CCCCCC1)c1[nH]cc[nH+]1 ZINC000564378579 388629115 /nfs/dbraw/zinc/62/91/15/388629115.db2.gz IGGSUVQBEKCHEV-LLVKDONJSA-N 1 2 249.358 2.947 20 0 BFADLO Cc1cc(C(=O)Nc2cc(C)[nH+]cc2C)c(C)o1 ZINC000551957762 388649363 /nfs/dbraw/zinc/64/93/63/388649363.db2.gz ANGSCDNNCZDWFL-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO C[C@@H](CF)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000288510730 388747828 /nfs/dbraw/zinc/74/78/28/388747828.db2.gz SVRJCSLGKGPKGK-QMMMGPOBSA-N 1 2 230.352 2.888 20 0 BFADLO CC1(C)C[N@H+](Cc2cc(F)ccc2F)CCO1 ZINC000193565990 388709286 /nfs/dbraw/zinc/70/92/86/388709286.db2.gz KRLHXAFTBVSHDA-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO CC1(C)C[N@@H+](Cc2cc(F)ccc2F)CCO1 ZINC000193565990 388709289 /nfs/dbraw/zinc/70/92/89/388709289.db2.gz KRLHXAFTBVSHDA-UHFFFAOYSA-N 1 2 241.281 2.576 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000249257096 388712964 /nfs/dbraw/zinc/71/29/64/388712964.db2.gz HYZRXKSCGYPXBP-BXUZGUMPSA-N 1 2 228.295 2.868 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000249257096 388712965 /nfs/dbraw/zinc/71/29/65/388712965.db2.gz HYZRXKSCGYPXBP-BXUZGUMPSA-N 1 2 228.295 2.868 20 0 BFADLO C[N@H+](Cc1ccc[nH]1)Cc1cccc(F)c1F ZINC000538761807 388721538 /nfs/dbraw/zinc/72/15/38/388721538.db2.gz CWIMVZWRFFWAHV-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(F)c1F ZINC000538761807 388721540 /nfs/dbraw/zinc/72/15/40/388721540.db2.gz CWIMVZWRFFWAHV-UHFFFAOYSA-N 1 2 236.265 2.925 20 0 BFADLO CS[C@H](C)CNc1cc[nH+]c(C(C)C)n1 ZINC000128853427 388800514 /nfs/dbraw/zinc/80/05/14/388800514.db2.gz LKDUMFAHIRBNQU-SECBINFHSA-N 1 2 225.361 2.763 20 0 BFADLO CCC1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000227777252 388758705 /nfs/dbraw/zinc/75/87/05/388758705.db2.gz RWQFSLLROXIYAL-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO Cc1cc(N[C@@H]2CC[C@@H](F)C2)nc(C(C)C)[nH+]1 ZINC000340960983 177709057 /nfs/dbraw/zinc/70/90/57/177709057.db2.gz LPARDUJYUMQBIU-GHMZBOCLSA-N 1 2 237.322 2.633 20 0 BFADLO Cc1cc(NCCC2(C)CC2)nc(C(C)C)[nH+]1 ZINC000359815871 177708488 /nfs/dbraw/zinc/70/84/88/177708488.db2.gz JYALSJLRFSAMOX-UHFFFAOYSA-N 1 2 233.359 2.932 20 0 BFADLO CCc1ccc(C[N@H+](C)Cc2cc[nH]n2)s1 ZINC000539831319 388784067 /nfs/dbraw/zinc/78/40/67/388784067.db2.gz JVAZJDPCEJSYDC-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO CCc1ccc(C[N@@H+](C)Cc2cc[nH]n2)s1 ZINC000539831319 388784072 /nfs/dbraw/zinc/78/40/72/388784072.db2.gz JVAZJDPCEJSYDC-UHFFFAOYSA-N 1 2 235.356 2.666 20 0 BFADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccno2)o1 ZINC000231884783 388844181 /nfs/dbraw/zinc/84/41/81/388844181.db2.gz FQNLNVQJXKPSNZ-CABZTGNLSA-N 1 2 232.283 2.681 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)on1 ZINC000069067924 388822217 /nfs/dbraw/zinc/82/22/17/388822217.db2.gz TXVAXFLTVCPHMC-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)on1 ZINC000069067924 388822219 /nfs/dbraw/zinc/82/22/19/388822219.db2.gz TXVAXFLTVCPHMC-SNVBAGLBSA-N 1 2 220.272 2.769 20 0 BFADLO CC(F)(F)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000555608918 388856476 /nfs/dbraw/zinc/85/64/76/388856476.db2.gz GXBFEBFLEFVOSB-UHFFFAOYSA-N 1 2 239.265 2.707 20 0 BFADLO Fc1cccc(F)c1C[NH2+]Cc1ccoc1 ZINC000069832996 388868399 /nfs/dbraw/zinc/86/83/99/388868399.db2.gz KXRZYSDBYXFVLI-UHFFFAOYSA-N 1 2 223.222 2.848 20 0 BFADLO Cc1[nH+]cccc1N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000556148506 388868883 /nfs/dbraw/zinc/86/88/83/388868883.db2.gz KPBWHBVLCMEMOQ-IAZYJMLFSA-N 1 2 220.316 2.758 20 0 BFADLO CC1=CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000280859648 132211149 /nfs/dbraw/zinc/21/11/49/132211149.db2.gz ZECDAJSDKSEOAP-UHFFFAOYSA-N 1 2 215.300 2.510 20 0 BFADLO CC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1F ZINC000565247333 388932660 /nfs/dbraw/zinc/93/26/60/388932660.db2.gz SDQAOAGGLRTDPY-CYBMUJFWSA-N 1 2 245.301 2.857 20 0 BFADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)[C@H]1CCCO1 ZINC000153199338 388950092 /nfs/dbraw/zinc/95/00/92/388950092.db2.gz PABXEPFPRXPBEN-NWDGAFQWSA-N 1 2 249.358 2.970 20 0 BFADLO COC(C)(C)C[C@H](C)Nc1cccc[nH+]1 ZINC000266274238 388995493 /nfs/dbraw/zinc/99/54/93/388995493.db2.gz RUHJQAHRVAKINF-JTQLQIEISA-N 1 2 208.305 2.697 20 0 BFADLO CC[C@@H]1C[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000280852486 171142046 /nfs/dbraw/zinc/14/20/46/171142046.db2.gz YNGREBGVYJVVSY-PSASIEDQSA-N 1 2 203.289 2.564 20 0 BFADLO Cc1cc(NCC(C2CC2)C2CC2)nc[nH+]1 ZINC000083911345 322830420 /nfs/dbraw/zinc/83/04/20/322830420.db2.gz UQXLALCQDBFVOM-UHFFFAOYSA-N 1 2 217.316 2.633 20 0 BFADLO Cc1cc(N2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000264689339 132179928 /nfs/dbraw/zinc/17/99/28/132179928.db2.gz YXTAOYXXCPYCRY-JTQLQIEISA-N 1 2 231.343 2.899 20 0 BFADLO C[C@H]1CC[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000266511615 132187445 /nfs/dbraw/zinc/18/74/45/132187445.db2.gz XSOIKACWZWYTKI-QWRGUYRKSA-N 1 2 231.343 2.979 20 0 BFADLO Cc1cc(N2CCC[C@](C)(F)C2)nc(C2CC2)[nH+]1 ZINC000294855430 132219630 /nfs/dbraw/zinc/21/96/30/132219630.db2.gz CPJALYGDHNTDAJ-AWEZNQCLSA-N 1 2 249.333 2.991 20 0 BFADLO Cc1cc(N2CCC[C@@](C)(F)C2)nc(C2CC2)[nH+]1 ZINC000294855434 132219806 /nfs/dbraw/zinc/21/98/06/132219806.db2.gz CPJALYGDHNTDAJ-CQSZACIVSA-N 1 2 249.333 2.991 20 0 BFADLO C[C@@]1(F)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000294944736 132219942 /nfs/dbraw/zinc/21/99/42/132219942.db2.gz LXGORYIHEJCDJQ-CYBMUJFWSA-N 1 2 235.306 2.682 20 0 BFADLO c1ccc(N2CCC(C3CCOCC3)CC2)[nH+]c1 ZINC000133610836 132238538 /nfs/dbraw/zinc/23/85/38/132238538.db2.gz MINNINMVFZEQOO-UHFFFAOYSA-N 1 2 246.354 2.725 20 0 BFADLO C[C@H]1CCCN(c2cc(NCC3CC3)[nH+]cn2)C1 ZINC000301297989 132252639 /nfs/dbraw/zinc/25/26/39/132252639.db2.gz YULKWEOPAHLYLE-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO C[C@H]1CCCN(c2cc(NCC3CC3)nc[nH+]2)C1 ZINC000301297989 132252642 /nfs/dbraw/zinc/25/26/42/132252642.db2.gz YULKWEOPAHLYLE-NSHDSACASA-N 1 2 246.358 2.535 20 0 BFADLO Cc1nc(N2CCC(C)CC2)c(C)c(C)[nH+]1 ZINC000301427728 132253584 /nfs/dbraw/zinc/25/35/84/132253584.db2.gz IEFMTUOKBLWQGD-UHFFFAOYSA-N 1 2 219.332 2.638 20 0 BFADLO Cc1cc(N2CCC[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000301527953 132254532 /nfs/dbraw/zinc/25/45/32/132254532.db2.gz ODIQUJGTMKGUGQ-STQMWFEESA-N 1 2 231.343 2.944 20 0 BFADLO Cc1cc(N2CCS[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000301553292 132254891 /nfs/dbraw/zinc/25/48/91/132254891.db2.gz HRALCPYXLXEMSD-VXGBXAGGSA-N 1 2 249.383 2.649 20 0 BFADLO Cc1nc(N2CCC(C)CC2)c2c([nH+]1)CCCC2 ZINC000301561148 132254923 /nfs/dbraw/zinc/25/49/23/132254923.db2.gz KKDQVQDYBZOLFR-UHFFFAOYSA-N 1 2 245.370 2.900 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@H](C)[C@H]2C)cc[nH+]1 ZINC000302697408 132265759 /nfs/dbraw/zinc/26/57/59/132265759.db2.gz TXQXVUMJPRDLNQ-OUAUKWLOSA-N 1 2 219.332 2.656 20 0 BFADLO Cc1cc(N2CC[C@@H](C)C3(CCC3)C2)nc[nH+]1 ZINC000356769549 132272008 /nfs/dbraw/zinc/27/20/08/132272008.db2.gz ANHKNEZWJXATAI-LLVKDONJSA-N 1 2 231.343 2.802 20 0 BFADLO C[C@H]1C[C@H]1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000357313696 132273478 /nfs/dbraw/zinc/27/34/78/132273478.db2.gz KWEACAKZJTUNMS-RYUDHWBXSA-N 1 2 246.358 2.535 20 0 BFADLO C[C@H]1C[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000357313696 132273479 /nfs/dbraw/zinc/27/34/79/132273479.db2.gz KWEACAKZJTUNMS-RYUDHWBXSA-N 1 2 246.358 2.535 20 0 BFADLO Cc1cc(N2CCC(C)(C3CC3)CC2)nc[nH+]1 ZINC000357569760 132273898 /nfs/dbraw/zinc/27/38/98/132273898.db2.gz PUZCEPBEYIBITH-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO Cc1cc(N2CCO[C@@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000360869908 132279475 /nfs/dbraw/zinc/27/94/75/132279475.db2.gz HEWHKPPHYJADGB-NEPJUHHUSA-N 1 2 249.358 2.522 20 0 BFADLO c1ccc(N2CCC[C@H](C[C@H]3CCOC3)C2)[nH+]c1 ZINC000367384305 132280511 /nfs/dbraw/zinc/28/05/11/132280511.db2.gz NDGNOTHOLLWHIK-ZIAGYGMSSA-N 1 2 246.354 2.725 20 0 BFADLO CC1=C[C@H](C)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000362377142 132281400 /nfs/dbraw/zinc/28/14/00/132281400.db2.gz WSPBLYANYJNQND-VIFPVBQESA-N 1 2 231.343 2.804 20 0 BFADLO [NH3+]c1ccc2c(c1)CCCN2Cc1ccccn1 ZINC000019875195 132328740 /nfs/dbraw/zinc/32/87/40/132328740.db2.gz QEKISEPZZMPYDO-UHFFFAOYSA-N 1 2 239.322 2.617 20 0 BFADLO Clc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000335940068 134016320 /nfs/dbraw/zinc/01/63/20/134016320.db2.gz AIYUHGXZTHGDGE-MNOVXSKESA-N 1 2 241.718 2.686 20 0 BFADLO Clc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)o1 ZINC000335940068 134016321 /nfs/dbraw/zinc/01/63/21/134016321.db2.gz AIYUHGXZTHGDGE-MNOVXSKESA-N 1 2 241.718 2.686 20 0 BFADLO CCOC1CC(C[N@H+](CC(F)F)C2CC2)C1 ZINC000352006665 134034788 /nfs/dbraw/zinc/03/47/88/134034788.db2.gz VQFLPUFFRYPZJF-UHFFFAOYSA-N 1 2 233.302 2.531 20 0 BFADLO CCOC1CC(C[N@@H+](CC(F)F)C2CC2)C1 ZINC000352006665 134034789 /nfs/dbraw/zinc/03/47/89/134034789.db2.gz VQFLPUFFRYPZJF-UHFFFAOYSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1cc(N2CC3(CCC3)[C@@H]2C2CC2)nc[nH+]1 ZINC000336024243 134056352 /nfs/dbraw/zinc/05/63/52/134056352.db2.gz KGKQVJJXSJYLIR-ZDUSSCGKSA-N 1 2 229.327 2.554 20 0 BFADLO Cc1ccc2[nH]c(C[NH+]3CCOCC3)cc2c1C ZINC000336068513 134071048 /nfs/dbraw/zinc/07/10/48/134071048.db2.gz WUFAYLBDFGUVCD-UHFFFAOYSA-N 1 2 244.338 2.617 20 0 BFADLO C[C@@H]1COCC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000336069811 134071600 /nfs/dbraw/zinc/07/16/00/134071600.db2.gz UGLQGSOZCGGMSG-RISCZKNCSA-N 1 2 246.354 2.797 20 0 BFADLO C[C@@H]1[C@H](C(F)(F)F)CCN1c1cccc[nH+]1 ZINC000336080316 134075198 /nfs/dbraw/zinc/07/51/98/134075198.db2.gz JXVVNPXZAJYKTR-RKDXNWHRSA-N 1 2 230.233 2.859 20 0 BFADLO CCn1nccc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336086279 134076528 /nfs/dbraw/zinc/07/65/28/134076528.db2.gz OMLYHWHWHJIMGN-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CCn1nccc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336086279 134076529 /nfs/dbraw/zinc/07/65/29/134076529.db2.gz OMLYHWHWHJIMGN-UHFFFAOYSA-N 1 2 241.338 2.727 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000336110011 134085927 /nfs/dbraw/zinc/08/59/27/134085927.db2.gz HVKREMCKUFUHQC-NEPJUHHUSA-N 1 2 248.374 2.693 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)n[nH]1 ZINC000336110011 134085928 /nfs/dbraw/zinc/08/59/28/134085928.db2.gz HVKREMCKUFUHQC-NEPJUHHUSA-N 1 2 248.374 2.693 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)c1cccc(C)c1 ZINC000336125150 134092455 /nfs/dbraw/zinc/09/24/55/134092455.db2.gz RBVNOLPHIPTBGQ-UHFFFAOYSA-N 1 2 240.306 2.627 20 0 BFADLO Cc1oncc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000336152323 134104364 /nfs/dbraw/zinc/10/43/64/134104364.db2.gz CAXKEOUEWGYTKB-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1oncc1C[N@H+]1CCc2cccc(F)c2C1 ZINC000336152323 134104365 /nfs/dbraw/zinc/10/43/65/134104365.db2.gz CAXKEOUEWGYTKB-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccoc1 ZINC000336201367 134130396 /nfs/dbraw/zinc/13/03/96/134130396.db2.gz FZWYFVPOASJFOP-UHFFFAOYSA-N 1 2 216.240 2.544 20 0 BFADLO C[C@@H](c1csnn1)[N@@H+]1CCCC(C)(C)C1 ZINC000336201983 134130989 /nfs/dbraw/zinc/13/09/89/134130989.db2.gz XMDHXQYJYQGKDB-VIFPVBQESA-N 1 2 225.361 2.721 20 0 BFADLO C[C@@H](c1csnn1)[N@H+]1CCCC(C)(C)C1 ZINC000336201983 134130990 /nfs/dbraw/zinc/13/09/90/134130990.db2.gz XMDHXQYJYQGKDB-VIFPVBQESA-N 1 2 225.361 2.721 20 0 BFADLO C[C@]1(F)CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000336214416 134136167 /nfs/dbraw/zinc/13/61/67/134136167.db2.gz OQVKZOPHHGNBEJ-AWEZNQCLSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@]1(F)CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000336214416 134136168 /nfs/dbraw/zinc/13/61/68/134136168.db2.gz OQVKZOPHHGNBEJ-AWEZNQCLSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@H](Nc1cccc[nH+]1)c1cccc(O)c1 ZINC000174720786 134283321 /nfs/dbraw/zinc/28/33/21/134283321.db2.gz DHKRUYKWXNJACA-JTQLQIEISA-N 1 2 214.268 2.960 20 0 BFADLO Cc1ccc(NC(=O)N[C@@H]2C=CCCC2)c(C)[nH+]1 ZINC000176683712 134293790 /nfs/dbraw/zinc/29/37/90/134293790.db2.gz JTPCWUZUEPPQMF-GFCCVEGCSA-N 1 2 245.326 2.929 20 0 BFADLO Cc1ncccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000179568719 134321819 /nfs/dbraw/zinc/32/18/19/134321819.db2.gz LMTQRTJXEPUDPH-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1ncccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000179568719 134321820 /nfs/dbraw/zinc/32/18/20/134321820.db2.gz LMTQRTJXEPUDPH-CYBMUJFWSA-N 1 2 241.338 2.768 20 0 BFADLO Cc1cnc(C[N@H+](C)Cc2ccco2)s1 ZINC000180411223 134327358 /nfs/dbraw/zinc/32/73/58/134327358.db2.gz YAYMMZMMIDIYCS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO Cc1cnc(C[N@@H+](C)Cc2ccco2)s1 ZINC000180411223 134327359 /nfs/dbraw/zinc/32/73/59/134327359.db2.gz YAYMMZMMIDIYCS-UHFFFAOYSA-N 1 2 222.313 2.677 20 0 BFADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000183082228 134350434 /nfs/dbraw/zinc/35/04/34/134350434.db2.gz IRDNABNZRBVBKI-WDEREUQCSA-N 1 2 249.358 2.768 20 0 BFADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000183082205 134350459 /nfs/dbraw/zinc/35/04/59/134350459.db2.gz IRDNABNZRBVBKI-GHMZBOCLSA-N 1 2 249.358 2.768 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccc[nH+]c1N(C)C ZINC000183082265 134350488 /nfs/dbraw/zinc/35/04/88/134350488.db2.gz IRDNABNZRBVBKI-QWRGUYRKSA-N 1 2 249.358 2.768 20 0 BFADLO CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCCCC1(C)C ZINC000226627637 134368125 /nfs/dbraw/zinc/36/81/25/134368125.db2.gz BSXGWOKDXSEXMO-NSHDSACASA-N 1 2 249.358 2.585 20 0 BFADLO Cc1cc[nH+]cc1NCc1cnn(C(C)C)c1 ZINC000227600595 134387771 /nfs/dbraw/zinc/38/77/71/134387771.db2.gz LJMAPDOPFLVMCA-UHFFFAOYSA-N 1 2 230.315 2.780 20 0 BFADLO Cc1cscc1N[C@@H](C)c1[nH+]ccn1C ZINC000134326945 134707693 /nfs/dbraw/zinc/70/76/93/134707693.db2.gz NQUBQOATAXMHEG-VIFPVBQESA-N 1 2 221.329 2.963 20 0 BFADLO CCc1nc(C[NH2+]Cc2ccco2)cs1 ZINC000054917993 134774055 /nfs/dbraw/zinc/77/40/55/134774055.db2.gz LIJPVAGIKIGUCB-UHFFFAOYSA-N 1 2 222.313 2.588 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1F ZINC000245549096 134857961 /nfs/dbraw/zinc/85/79/61/134857961.db2.gz YUPPYGQUSDBIST-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1F ZINC000245549096 134857963 /nfs/dbraw/zinc/85/79/63/134857963.db2.gz YUPPYGQUSDBIST-VXGBXAGGSA-N 1 2 237.318 2.743 20 0 BFADLO COc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443450 134917717 /nfs/dbraw/zinc/91/77/17/134917717.db2.gz OIYJAUJZPXWSJB-JTQLQIEISA-N 1 2 231.299 2.602 20 0 BFADLO C[C@H]1CC[C@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000070761093 134922624 /nfs/dbraw/zinc/92/26/24/134922624.db2.gz JHBWILQFPCZHIO-QWRGUYRKSA-N 1 2 219.332 2.748 20 0 BFADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)no1 ZINC000077170928 135058306 /nfs/dbraw/zinc/05/83/06/135058306.db2.gz RXKOZPBRRGXHEO-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)no1 ZINC000077170928 135058308 /nfs/dbraw/zinc/05/83/08/135058308.db2.gz RXKOZPBRRGXHEO-ZDUSSCGKSA-N 1 2 231.299 2.648 20 0 BFADLO Cc1cc(N[C@H]2CCCC2(C)C)nc[nH+]1 ZINC000086831405 135097247 /nfs/dbraw/zinc/09/72/47/135097247.db2.gz XLAOTHHPEWEWSZ-JTQLQIEISA-N 1 2 205.305 2.776 20 0 BFADLO Cn1ccc(C[N@H+](C)Cc2cccc(Cl)c2)n1 ZINC000270819351 135173225 /nfs/dbraw/zinc/17/32/25/135173225.db2.gz QTPTTYAPGJSJRY-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cn1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)n1 ZINC000270819351 135173227 /nfs/dbraw/zinc/17/32/27/135173227.db2.gz QTPTTYAPGJSJRY-UHFFFAOYSA-N 1 2 249.745 2.706 20 0 BFADLO Cc1ccc([C@H]([NH3+])c2nc(C(C)(C)C)no2)cc1 ZINC000261900315 135261485 /nfs/dbraw/zinc/26/14/85/135261485.db2.gz YNTKZPGECDCHQN-NSHDSACASA-N 1 2 245.326 2.724 20 0 BFADLO Cn1c2ccccc2[nH+]c1NCc1nccs1 ZINC000079045372 135267704 /nfs/dbraw/zinc/26/77/04/135267704.db2.gz KELBJAOEYUNDMO-UHFFFAOYSA-N 1 2 244.323 2.642 20 0 BFADLO CN(Cc1ccco1)c1[nH+]c2ccccc2n1C ZINC000342710733 135312953 /nfs/dbraw/zinc/31/29/53/135312953.db2.gz SGXATJBTTJHPEU-UHFFFAOYSA-N 1 2 241.294 2.803 20 0 BFADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000334376501 135376329 /nfs/dbraw/zinc/37/63/29/135376329.db2.gz VTZQKWKVOJIZRX-YMTOWFKASA-N 1 2 245.301 2.572 20 0 BFADLO Clc1cnc(CNc2cccc[nH+]2)s1 ZINC000307734856 135397289 /nfs/dbraw/zinc/39/72/89/135397289.db2.gz PNTCANNQJUGJSO-UHFFFAOYSA-N 1 2 225.704 2.804 20 0 BFADLO Cc1nc2[nH]ccc2c(N2[C@H](C)CC[C@@H]2C)[nH+]1 ZINC000334630241 135798361 /nfs/dbraw/zinc/79/83/61/135798361.db2.gz KFOIBHWNMFFCGU-DTORHVGOSA-N 1 2 230.315 2.644 20 0 BFADLO Cc1cc(N(C)CC2CCCCC2)nc[nH+]1 ZINC000346591503 135941937 /nfs/dbraw/zinc/94/19/37/135941937.db2.gz IRYYCIBDCZPITL-UHFFFAOYSA-N 1 2 219.332 2.802 20 0 BFADLO Oc1cccc(Sc2[nH+]cnc3[nH]ccc32)c1 ZINC000347880050 136017304 /nfs/dbraw/zinc/01/73/04/136017304.db2.gz MYZCDEGLJDNAQL-UHFFFAOYSA-N 1 2 243.291 2.815 20 0 BFADLO CCC(C)(C)CC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000347940423 136019472 /nfs/dbraw/zinc/01/94/72/136019472.db2.gz RVVDQDAUJWRRRB-NSHDSACASA-N 1 2 249.358 2.900 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000335315258 136024309 /nfs/dbraw/zinc/02/43/09/136024309.db2.gz GPWVPXAIFDZMDK-MNOVXSKESA-N 1 2 235.331 2.567 20 0 BFADLO CC(C)c1nc(C[N@H+]2CC[C@H]3CCC[C@@H]32)no1 ZINC000335315258 136024310 /nfs/dbraw/zinc/02/43/10/136024310.db2.gz GPWVPXAIFDZMDK-MNOVXSKESA-N 1 2 235.331 2.567 20 0 BFADLO CC[N@H+](CCCNC(C)=O)c1cccc(C)c1C ZINC000348155161 136040545 /nfs/dbraw/zinc/04/05/45/136040545.db2.gz MLLBAJNAWRFDRI-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO CC[N@@H+](CCCNC(C)=O)c1cccc(C)c1C ZINC000348155161 136040546 /nfs/dbraw/zinc/04/05/46/136040546.db2.gz MLLBAJNAWRFDRI-UHFFFAOYSA-N 1 2 248.370 2.656 20 0 BFADLO CCC[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)OC ZINC000348176983 136042676 /nfs/dbraw/zinc/04/26/76/136042676.db2.gz XAMPDERJQSIABM-KGLIPLIRSA-N 1 2 247.338 2.605 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000335350873 136068695 /nfs/dbraw/zinc/06/86/95/136068695.db2.gz LLCLREHEESNDEF-BDAKNGLRSA-N 1 2 248.248 2.756 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)o1 ZINC000335350873 136068696 /nfs/dbraw/zinc/06/86/96/136068696.db2.gz LLCLREHEESNDEF-BDAKNGLRSA-N 1 2 248.248 2.756 20 0 BFADLO C[C@H]([NH2+]CCF)c1ncc(-c2ccccc2)o1 ZINC000348359592 136072825 /nfs/dbraw/zinc/07/28/25/136072825.db2.gz OTZRZSIPWSOWFN-JTQLQIEISA-N 1 2 234.274 2.962 20 0 BFADLO F[C@H]1CC[N@H+](Cc2ccnn2C2CCCC2)C1 ZINC000335398334 136093329 /nfs/dbraw/zinc/09/33/29/136093329.db2.gz JTVGQBPNVCWMPH-NSHDSACASA-N 1 2 237.322 2.542 20 0 BFADLO F[C@H]1CC[N@@H+](Cc2ccnn2C2CCCC2)C1 ZINC000335398334 136093330 /nfs/dbraw/zinc/09/33/30/136093330.db2.gz JTVGQBPNVCWMPH-NSHDSACASA-N 1 2 237.322 2.542 20 0 BFADLO CS[C@H]1CC[C@@H]1Nc1ccc[nH+]c1C ZINC000335557677 136099857 /nfs/dbraw/zinc/09/98/57/136099857.db2.gz ILCHFPNFLPXZBO-QWRGUYRKSA-N 1 2 208.330 2.696 20 0 BFADLO Cc1cnccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000335575136 136110863 /nfs/dbraw/zinc/11/08/63/136110863.db2.gz IWEFWMMRIKPBPU-LLVKDONJSA-N 1 2 226.270 2.620 20 0 BFADLO Cc1cnccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000335575136 136110864 /nfs/dbraw/zinc/11/08/64/136110864.db2.gz IWEFWMMRIKPBPU-LLVKDONJSA-N 1 2 226.270 2.620 20 0 BFADLO C[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CCC1 ZINC000335578643 136111493 /nfs/dbraw/zinc/11/14/93/136111493.db2.gz LKAAFWSXDWQTTL-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cscn1 ZINC000162419109 397779268 /nfs/dbraw/zinc/77/92/68/397779268.db2.gz CLKOBWLIQIJYLK-PWSUYJOCSA-N 1 2 248.351 2.527 20 0 BFADLO CCc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000180050589 397856113 /nfs/dbraw/zinc/85/61/13/397856113.db2.gz ZDESSSWIBTXMRC-UHFFFAOYSA-N 1 2 216.284 2.689 20 0 BFADLO CC[C@@H](F)C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000440490242 397928213 /nfs/dbraw/zinc/92/82/13/397928213.db2.gz QQYLYNKCKQCSOL-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CC[C@@H](F)C[N@H+]1CCOc2c(F)cccc2C1 ZINC000440490242 397928216 /nfs/dbraw/zinc/92/82/16/397928216.db2.gz QQYLYNKCKQCSOL-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO Cc1nonc1C[N@@H+]1CCc2sccc2[C@H]1C ZINC000264986428 397930754 /nfs/dbraw/zinc/93/07/54/397930754.db2.gz AAFQUNVIAMTJIG-SECBINFHSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nonc1C[N@H+]1CCc2sccc2[C@H]1C ZINC000264986428 397930758 /nfs/dbraw/zinc/93/07/58/397930758.db2.gz AAFQUNVIAMTJIG-SECBINFHSA-N 1 2 249.339 2.559 20 0 BFADLO c1sc2ccccc2c1C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367849688 397931311 /nfs/dbraw/zinc/93/13/11/397931311.db2.gz YYOYAPRKCNUPTE-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO c1sc2ccccc2c1C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC000367849688 397931315 /nfs/dbraw/zinc/93/13/15/397931315.db2.gz YYOYAPRKCNUPTE-QWHCGFSZSA-N 1 2 245.347 2.874 20 0 BFADLO COCc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000271165753 397965377 /nfs/dbraw/zinc/96/53/77/397965377.db2.gz NOJJDIIGXZNVNX-UHFFFAOYSA-N 1 2 243.306 2.942 20 0 BFADLO COCC[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000360797010 397968047 /nfs/dbraw/zinc/96/80/47/397968047.db2.gz AOIRHDJQIKNTHZ-NSHDSACASA-N 1 2 234.343 2.797 20 0 BFADLO CCN(Cc1[nH+]ccn1C(C)C)CC(F)(F)F ZINC000264775402 397925753 /nfs/dbraw/zinc/92/57/53/397925753.db2.gz HEOYWGNOIGLWMF-UHFFFAOYSA-N 1 2 249.280 2.848 20 0 BFADLO CO[C@H](CC(C)C)C[N@@H+]1CCCC(F)(F)C1 ZINC000649696001 398044900 /nfs/dbraw/zinc/04/49/00/398044900.db2.gz QIUASGJAYGHDSR-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CO[C@H](CC(C)C)C[N@H+]1CCCC(F)(F)C1 ZINC000649696001 398044903 /nfs/dbraw/zinc/04/49/03/398044903.db2.gz QIUASGJAYGHDSR-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO Cc1cc(C)c(NC(=O)Cc2ccoc2)c(C)[nH+]1 ZINC000120518853 397996577 /nfs/dbraw/zinc/99/65/77/397996577.db2.gz QDTOXJOREPGUQK-UHFFFAOYSA-N 1 2 244.294 2.781 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N(C)CC1CCC1 ZINC000120513868 397996908 /nfs/dbraw/zinc/99/69/08/397996908.db2.gz CJKNHIHGQCWPME-UHFFFAOYSA-N 1 2 233.315 2.654 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccco1 ZINC000650242721 398003782 /nfs/dbraw/zinc/00/37/82/398003782.db2.gz WNELALIJMBICTC-UHFFFAOYSA-N 1 2 202.257 2.849 20 0 BFADLO CCc1nocc1CNc1c[nH+]ccc1CC ZINC000650243297 398004979 /nfs/dbraw/zinc/00/49/79/398004979.db2.gz SSHYVVULSDGIAC-UHFFFAOYSA-N 1 2 231.299 2.807 20 0 BFADLO CCc1cc[nH+]cc1NCc1cc[nH]c1 ZINC000650243059 398005008 /nfs/dbraw/zinc/00/50/08/398005008.db2.gz IVTKMGYSQUOAMW-UHFFFAOYSA-N 1 2 201.273 2.584 20 0 BFADLO COCc1cc[nH+]c(NCc2ccoc2C)c1 ZINC000650243073 398005206 /nfs/dbraw/zinc/00/52/06/398005206.db2.gz JGLCVYDNHKKWBS-UHFFFAOYSA-N 1 2 232.283 2.742 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(COC)o1 ZINC000650243050 398005425 /nfs/dbraw/zinc/00/54/25/398005425.db2.gz ILCVSUDUWHARAW-UHFFFAOYSA-N 1 2 246.310 2.996 20 0 BFADLO COCc1cc[nH+]c(NCc2csc(C)n2)c1 ZINC000650244743 398006059 /nfs/dbraw/zinc/00/60/59/398006059.db2.gz NOOYYUQZVAOAAX-UHFFFAOYSA-N 1 2 249.339 2.605 20 0 BFADLO COCc1cc[nH+]c(NCC(C)(C)C)c1 ZINC000650243731 398006567 /nfs/dbraw/zinc/00/65/67/398006567.db2.gz NJXBZSZPBXOHQY-UHFFFAOYSA-N 1 2 208.305 2.686 20 0 BFADLO FC(F)n1ccnc1C[N@@H+]1CCC12CCCC2 ZINC000649656676 398026696 /nfs/dbraw/zinc/02/66/96/398026696.db2.gz XYHMUBUHYAJHOS-UHFFFAOYSA-N 1 2 241.285 2.797 20 0 BFADLO FC(F)n1ccnc1C[N@H+]1CCC12CCCC2 ZINC000649656676 398026699 /nfs/dbraw/zinc/02/66/99/398026699.db2.gz XYHMUBUHYAJHOS-UHFFFAOYSA-N 1 2 241.285 2.797 20 0 BFADLO Cc1noc(C[NH2+]C(C)(C)c2cccc(F)c2)n1 ZINC000271783371 397974676 /nfs/dbraw/zinc/97/46/76/397974676.db2.gz LYTZNWFNQYLYJE-UHFFFAOYSA-N 1 2 249.289 2.542 20 0 BFADLO C[N@H+](Cc1noc(C(C)(C)C)n1)C1CCCC1 ZINC000047721613 397976586 /nfs/dbraw/zinc/97/65/86/397976586.db2.gz MTJHEZGDJYHRPY-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO C[N@@H+](Cc1noc(C(C)(C)C)n1)C1CCCC1 ZINC000047721613 397976588 /nfs/dbraw/zinc/97/65/88/397976588.db2.gz MTJHEZGDJYHRPY-UHFFFAOYSA-N 1 2 237.347 2.742 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nccs1 ZINC000649718581 398060198 /nfs/dbraw/zinc/06/01/98/398060198.db2.gz BSKLQXNDVGMKBD-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nccs1 ZINC000649718581 398060201 /nfs/dbraw/zinc/06/02/01/398060201.db2.gz BSKLQXNDVGMKBD-MNOVXSKESA-N 1 2 240.372 2.533 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC1(C)C ZINC000287085768 398082262 /nfs/dbraw/zinc/08/22/62/398082262.db2.gz MIYFMMXEHLUHMV-LLVKDONJSA-N 1 2 233.315 2.700 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccns1 ZINC000630075990 398095963 /nfs/dbraw/zinc/09/59/63/398095963.db2.gz JQBWYSZMUDZZGZ-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccns1 ZINC000630075990 398095966 /nfs/dbraw/zinc/09/59/66/398095966.db2.gz JQBWYSZMUDZZGZ-JTQLQIEISA-N 1 2 240.372 2.533 20 0 BFADLO CCc1ccc(CNc2ccc(N(C)C)[nH+]c2)o1 ZINC000051722996 398058723 /nfs/dbraw/zinc/05/87/23/398058723.db2.gz ZCLFIBVGPZNXRN-UHFFFAOYSA-N 1 2 245.326 2.915 20 0 BFADLO Cc1ccnc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000292818991 398109463 /nfs/dbraw/zinc/10/94/63/398109463.db2.gz OSMYKEBONGKGLF-UHFFFAOYSA-N 1 2 240.310 2.670 20 0 BFADLO CS[C@H]1CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000295047920 398131737 /nfs/dbraw/zinc/13/17/37/398131737.db2.gz UEJSLPWTAOJAAW-NSHDSACASA-N 1 2 249.383 2.604 20 0 BFADLO CC(C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000036939908 167016347 /nfs/dbraw/zinc/01/63/47/167016347.db2.gz VOBMRMCVIKGTTK-UHFFFAOYSA-N 1 2 215.300 2.940 20 0 BFADLO CCC1(C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000674346978 487563174 /nfs/dbraw/zinc/56/31/74/487563174.db2.gz SGHPVDXCBLWABN-UHFFFAOYSA-N 1 2 243.310 2.853 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000685613368 487564096 /nfs/dbraw/zinc/56/40/96/487564096.db2.gz NICXRNAIINTAQQ-BXKDBHETSA-N 1 2 245.326 2.724 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000685613368 487564099 /nfs/dbraw/zinc/56/40/99/487564099.db2.gz NICXRNAIINTAQQ-BXKDBHETSA-N 1 2 245.326 2.724 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000680426929 487592602 /nfs/dbraw/zinc/59/26/02/487592602.db2.gz LKQUSZZEJHAMOH-MWODSPESSA-N 1 2 241.281 2.794 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccco2)C[C@@](C)(C(F)F)O1 ZINC000668823076 487601512 /nfs/dbraw/zinc/60/15/12/487601512.db2.gz GBWUCJPVRSMFDJ-CABZTGNLSA-N 1 2 245.269 2.524 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccco2)C[C@@](C)(C(F)F)O1 ZINC000668823076 487601515 /nfs/dbraw/zinc/60/15/15/487601515.db2.gz GBWUCJPVRSMFDJ-CABZTGNLSA-N 1 2 245.269 2.524 20 0 BFADLO CN(C)c1[nH+]cccc1NC(=O)CC(C)(C)C ZINC000047976220 322921701 /nfs/dbraw/zinc/92/17/01/322921701.db2.gz YHJSHMMXTOZZCL-UHFFFAOYSA-N 1 2 235.331 2.522 20 0 BFADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccn2)o1 ZINC000162414985 487610742 /nfs/dbraw/zinc/61/07/42/487610742.db2.gz YSBXEJRMECSYHO-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccn2)o1 ZINC000162414985 487610746 /nfs/dbraw/zinc/61/07/46/487610746.db2.gz YSBXEJRMECSYHO-LLVKDONJSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccccn2)co1 ZINC000072146994 409832225 /nfs/dbraw/zinc/83/22/25/409832225.db2.gz CIRHILABMPGZCY-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccccn2)co1 ZINC000072146994 409832237 /nfs/dbraw/zinc/83/22/37/409832237.db2.gz CIRHILABMPGZCY-CQSZACIVSA-N 1 2 243.310 2.715 20 0 BFADLO CSc1ccc[nH+]c1NCC[C@@H]1CCOC1 ZINC000651971471 409942200 /nfs/dbraw/zinc/94/22/00/409942200.db2.gz GRHPZLAZHMOGEV-SNVBAGLBSA-N 1 2 238.356 2.642 20 0 BFADLO CCOC[C@H](C)Nc1[nH+]cccc1SC ZINC000651971382 409942495 /nfs/dbraw/zinc/94/24/95/409942495.db2.gz CBFPIADWQAUHOE-VIFPVBQESA-N 1 2 226.345 2.640 20 0 BFADLO CCn1c[nH+]cc1CNc1ncccc1SC ZINC000651971624 409943688 /nfs/dbraw/zinc/94/36/88/409943688.db2.gz NOLAGCUDMNPWGJ-UHFFFAOYSA-N 1 2 248.355 2.632 20 0 BFADLO CSc1ccc[nH+]c1NC[C@H]1C[C@H]1C ZINC000651971362 409943948 /nfs/dbraw/zinc/94/39/48/409943948.db2.gz BMJDNLYJPNHPHD-RKDXNWHRSA-N 1 2 208.330 2.871 20 0 BFADLO CSc1ccc[nH+]c1N[C@@H]1CSC[C@@H]1C ZINC000651971909 409947190 /nfs/dbraw/zinc/94/71/90/409947190.db2.gz ZVQWOLJXSHJUON-DTWKUNHWSA-N 1 2 240.397 2.967 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)COC(C)C ZINC000651979851 410115041 /nfs/dbraw/zinc/11/50/41/410115041.db2.gz NEXMVCKUWRDZMM-LLVKDONJSA-N 1 2 222.332 2.869 20 0 BFADLO CCc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCOC1 ZINC000651979945 410115976 /nfs/dbraw/zinc/11/59/76/410115976.db2.gz SCESYORIRFXORH-DGCLKSJQSA-N 1 2 234.343 2.871 20 0 BFADLO CC(C)(C)c1nc(N[C@@H]2COC(C)(C)C2)cc[nH+]1 ZINC000664144880 410468724 /nfs/dbraw/zinc/46/87/24/410468724.db2.gz PURDKQRUPYOJRC-JTQLQIEISA-N 1 2 249.358 2.754 20 0 BFADLO CCN(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287384000 169755090 /nfs/dbraw/zinc/75/50/90/169755090.db2.gz CINFHZYXCVOVLS-UHFFFAOYSA-N 1 2 221.304 2.572 20 0 BFADLO COc1c(C)[nH+]cnc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000664388043 410574888 /nfs/dbraw/zinc/57/48/88/410574888.db2.gz XZZHEXYYXPOJDP-WOPDTQHZSA-N 1 2 247.342 2.642 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661415274 410628970 /nfs/dbraw/zinc/62/89/70/410628970.db2.gz XNXRDFAVZQDNGI-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C(F)(F)C1 ZINC000661415274 410628976 /nfs/dbraw/zinc/62/89/76/410628976.db2.gz XNXRDFAVZQDNGI-GRYCIOLGSA-N 1 2 247.329 2.515 20 0 BFADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)C1CCCC1 ZINC000674094318 487618432 /nfs/dbraw/zinc/61/84/32/487618432.db2.gz SQGSLUOAQWJIMJ-LLVKDONJSA-N 1 2 246.354 2.831 20 0 BFADLO CC(C)Oc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714794 167297481 /nfs/dbraw/zinc/29/74/81/167297481.db2.gz YHLXSCWUNNVREY-UHFFFAOYSA-N 1 2 231.299 2.809 20 0 BFADLO CC(C)[C@@H](C)C(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000283014672 167352029 /nfs/dbraw/zinc/35/20/29/167352029.db2.gz NEKLTNDURIXMBG-GHMZBOCLSA-N 1 2 237.347 2.515 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2cocn2)cs1 ZINC000397808754 410933671 /nfs/dbraw/zinc/93/36/71/410933671.db2.gz OCYMXQCRJWKFQL-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO Oc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CCC2 ZINC000397820694 410935507 /nfs/dbraw/zinc/93/55/07/410935507.db2.gz DQXBUXCGFWDLNX-CQSZACIVSA-N 1 2 244.294 2.547 20 0 BFADLO C[C@H]([NH2+]CC(F)F)[C@H]1OCCc2sccc21 ZINC000309394731 411163108 /nfs/dbraw/zinc/16/31/08/411163108.db2.gz GJFNVJFMGLWVDR-WRWORJQWSA-N 1 2 247.310 2.605 20 0 BFADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)o2)[C@@H](C)CO1 ZINC000651931243 411150864 /nfs/dbraw/zinc/15/08/64/411150864.db2.gz OLUQFZVPGGVCNX-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)[C@@H](C)CO1 ZINC000651931243 411150865 /nfs/dbraw/zinc/15/08/65/411150865.db2.gz OLUQFZVPGGVCNX-VHSXEESVSA-N 1 2 243.734 2.932 20 0 BFADLO C[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1ccsc1 ZINC000653663136 411160681 /nfs/dbraw/zinc/16/06/81/411160681.db2.gz FALHQFBTZCTGRS-IUCAKERBSA-N 1 2 248.355 2.532 20 0 BFADLO C[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1ccsc1 ZINC000653663137 411160774 /nfs/dbraw/zinc/16/07/74/411160774.db2.gz FALHQFBTZCTGRS-RKDXNWHRSA-N 1 2 248.355 2.532 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H](C)SC1 ZINC000655748993 411161549 /nfs/dbraw/zinc/16/15/49/411161549.db2.gz NWGBHGRQLCRICS-VHSXEESVSA-N 1 2 238.356 2.786 20 0 BFADLO COCc1cc[nH+]c(NCc2ccncc2C)c1 ZINC000652068295 411104896 /nfs/dbraw/zinc/10/48/96/411104896.db2.gz YTFJGMCVLUJPRS-UHFFFAOYSA-N 1 2 243.310 2.544 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000652068207 411105065 /nfs/dbraw/zinc/10/50/65/411105065.db2.gz VZVYCMPCHQHSLE-XQQFMLRXSA-N 1 2 232.327 2.829 20 0 BFADLO CC[C@H]1CC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652068236 411105526 /nfs/dbraw/zinc/10/55/26/411105526.db2.gz WRDWFDBTJRALCE-NWDGAFQWSA-N 1 2 220.316 2.829 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000652076094 411107611 /nfs/dbraw/zinc/10/76/11/411107611.db2.gz NGSBTWYHRMCNPR-LBPRGKRZSA-N 1 2 234.318 2.504 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000652076094 411107615 /nfs/dbraw/zinc/10/76/15/411107615.db2.gz NGSBTWYHRMCNPR-LBPRGKRZSA-N 1 2 234.318 2.504 20 0 BFADLO COc1cc(C)nc(C[NH2+]Cc2ccc(C)o2)c1 ZINC000214150244 411118330 /nfs/dbraw/zinc/11/83/30/411118330.db2.gz KEQDUYRIHGHSLT-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO COc1ccc(N[C@H]2CCCC23CC3)[nH+]c1 ZINC000657948816 411177871 /nfs/dbraw/zinc/17/78/71/411177871.db2.gz AOHICZMLNYGQIF-NSHDSACASA-N 1 2 218.300 2.835 20 0 BFADLO COc1ccc(NC2CC(CF)(CF)C2)[nH+]c1 ZINC000657950765 411178924 /nfs/dbraw/zinc/17/89/24/411178924.db2.gz UGFIMLDDKGLVFB-UHFFFAOYSA-N 1 2 242.269 2.590 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1ccccc1C ZINC000656105681 411179430 /nfs/dbraw/zinc/17/94/30/411179430.db2.gz MXCFOWMHKKIIGI-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1sccc1C ZINC000656111974 411181523 /nfs/dbraw/zinc/18/15/23/411181523.db2.gz GKPMZXLILNLXLK-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO COc1c(C)[nH+]cnc1NC[C@H]1CC=CCC1 ZINC000656112034 411181984 /nfs/dbraw/zinc/18/19/84/411181984.db2.gz ICDIEXPXZMGXQE-NSHDSACASA-N 1 2 233.315 2.562 20 0 BFADLO CC[C@@H](C)[C@H](C)Nc1nc[nH+]c(C)c1OC ZINC000656127692 411183021 /nfs/dbraw/zinc/18/30/21/411183021.db2.gz WSQGDFGKAREZPQ-BDAKNGLRSA-N 1 2 223.320 2.640 20 0 BFADLO COc1c(C)[nH+]cnc1NCC1(C(C)C)CC1 ZINC000656140849 411185482 /nfs/dbraw/zinc/18/54/82/411185482.db2.gz ALVBAWROJDHHSI-UHFFFAOYSA-N 1 2 235.331 2.642 20 0 BFADLO Cc1c[nH+]c(C)nc1N1CCCC[C@H](C)C1 ZINC000656163627 411189701 /nfs/dbraw/zinc/18/97/01/411189701.db2.gz CTTSSKYRYYRNQY-JTQLQIEISA-N 1 2 219.332 2.720 20 0 BFADLO COc1c(C)[nH+]cnc1NCc1cscc1C ZINC000656180014 411193717 /nfs/dbraw/zinc/19/37/17/411193717.db2.gz CZNWTYWPTDUYIF-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Cc1c[nH+]c(C)nc1NCCC1(C)CC1 ZINC000656182719 411195718 /nfs/dbraw/zinc/19/57/18/411195718.db2.gz YLTAUHVDPHAFMV-UHFFFAOYSA-N 1 2 205.305 2.696 20 0 BFADLO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)o1 ZINC000658097471 411244949 /nfs/dbraw/zinc/24/49/49/411244949.db2.gz IAMVUTQVTNFZNI-INTQDDNPSA-N 1 2 246.314 2.536 20 0 BFADLO COCc1cc[nH+]c(N[C@@H](C)c2cc(C)on2)c1 ZINC000652330916 411202495 /nfs/dbraw/zinc/20/24/95/411202495.db2.gz SKSVTKQBFUZEOR-JTQLQIEISA-N 1 2 247.298 2.698 20 0 BFADLO COc1c(C)[nH+]cnc1NC[C@@H]1C[C@H]1C1CCC1 ZINC000656204843 411208410 /nfs/dbraw/zinc/20/84/10/411208410.db2.gz MERGWWUNORJTTF-RYUDHWBXSA-N 1 2 247.342 2.642 20 0 BFADLO Cc1c[nH+]c(CCNc2ncccc2F)c(C)c1 ZINC000656211174 411210307 /nfs/dbraw/zinc/21/03/07/411210307.db2.gz RMTZRZPQEWUVMU-UHFFFAOYSA-N 1 2 245.301 2.887 20 0 BFADLO Cc1nc(N[C@@H](C2CC2)[C@H]2CCCCO2)cc[nH+]1 ZINC000656209908 411210517 /nfs/dbraw/zinc/21/05/17/411210517.db2.gz YYONFSWIUMYJQJ-OCCSQVGLSA-N 1 2 247.342 2.545 20 0 BFADLO FCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912178 411222686 /nfs/dbraw/zinc/22/26/86/411222686.db2.gz PKEXPDZACDPUCX-GFCCVEGCSA-N 1 2 234.274 2.518 20 0 BFADLO FCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912179 411223237 /nfs/dbraw/zinc/22/32/37/411223237.db2.gz PKEXPDZACDPUCX-LBPRGKRZSA-N 1 2 234.274 2.518 20 0 BFADLO Cc1[nH+]cccc1Cn1cc(C2CCC2)cn1 ZINC000655689602 411233385 /nfs/dbraw/zinc/23/33/85/411233385.db2.gz HSLVDKNMHLLWPC-UHFFFAOYSA-N 1 2 227.311 2.902 20 0 BFADLO C[C@H]1CC=C(C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000652413566 411234160 /nfs/dbraw/zinc/23/41/60/411234160.db2.gz ZNWAUVLQKVIOSK-JTQLQIEISA-N 1 2 247.342 2.507 20 0 BFADLO Cc1cc(OC(F)F)ccc1-c1[nH+]ccn1C ZINC000656371702 411238006 /nfs/dbraw/zinc/23/80/06/411238006.db2.gz QBMLYIRUDSQIGG-UHFFFAOYSA-N 1 2 238.237 2.997 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@H]2CCCCO2)c1 ZINC000653465623 411283886 /nfs/dbraw/zinc/28/38/86/411283886.db2.gz IDKXFCYWQSGBIA-DGCLKSJQSA-N 1 2 220.316 2.760 20 0 BFADLO Cc1c[nH+]cc(N[C@H](C)[C@@H]2CCCCO2)c1 ZINC000653465625 411284073 /nfs/dbraw/zinc/28/40/73/411284073.db2.gz IDKXFCYWQSGBIA-YPMHNXCESA-N 1 2 220.316 2.760 20 0 BFADLO Cc1c[nH+]cc(NCc2cnc(C3CC3)o2)c1 ZINC000653466700 411285546 /nfs/dbraw/zinc/28/55/46/411285546.db2.gz SEPWGLRVBAOBFM-UHFFFAOYSA-N 1 2 229.283 2.868 20 0 BFADLO CC[C@H](C)[C@@H](CNc1ccc(C)[nH+]c1)OC ZINC000653469454 411290695 /nfs/dbraw/zinc/29/06/95/411290695.db2.gz ZTROVCWILMDGFS-GXFFZTMASA-N 1 2 222.332 2.863 20 0 BFADLO C[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C[C@H]1F ZINC000660219689 411299534 /nfs/dbraw/zinc/29/95/34/411299534.db2.gz FNFHBRDTNXSYCW-JOYOIKCWSA-N 1 2 238.306 2.732 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1F ZINC000660219689 411299537 /nfs/dbraw/zinc/29/95/37/411299537.db2.gz FNFHBRDTNXSYCW-JOYOIKCWSA-N 1 2 238.306 2.732 20 0 BFADLO Cc1[nH+]cccc1NCc1ccnn1CC1CC1 ZINC000656769496 411363274 /nfs/dbraw/zinc/36/32/74/411363274.db2.gz VAGYZJUCIHCORI-UHFFFAOYSA-N 1 2 242.326 2.609 20 0 BFADLO CCc1cc(NCc2[nH+]ccn2C(C)C)no1 ZINC000656772004 411364776 /nfs/dbraw/zinc/36/47/76/411364776.db2.gz OIYWBPIWSNKEQP-UHFFFAOYSA-N 1 2 234.303 2.627 20 0 BFADLO CC(C)c1nc(C[N@@H+]2CCC3(CCC3)C2)no1 ZINC000123477912 411367999 /nfs/dbraw/zinc/36/79/99/411367999.db2.gz LRMLGABBYIWWBT-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO CC(C)c1nc(C[N@H+]2CCC3(CCC3)C2)no1 ZINC000123477912 411368003 /nfs/dbraw/zinc/36/80/03/411368003.db2.gz LRMLGABBYIWWBT-UHFFFAOYSA-N 1 2 235.331 2.569 20 0 BFADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccnn1C ZINC000658337792 411345917 /nfs/dbraw/zinc/34/59/17/411345917.db2.gz GQCIOAWHFWZQGW-SECBINFHSA-N 1 2 245.317 2.752 20 0 BFADLO CC1(C[NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000330269544 168046515 /nfs/dbraw/zinc/04/65/15/168046515.db2.gz SBESAOITOBNINB-LBPRGKRZSA-N 1 2 248.374 2.816 20 0 BFADLO CC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000309108425 168048944 /nfs/dbraw/zinc/04/89/44/168048944.db2.gz IWBYXARJLTVWDK-UHFFFAOYSA-N 1 2 203.289 2.566 20 0 BFADLO Cc1ccc(NC(=O)C2=C(C)OCCC2)c(C)[nH+]1 ZINC000179009038 168079346 /nfs/dbraw/zinc/07/93/46/168079346.db2.gz APGYTGXAFUDHBF-UHFFFAOYSA-N 1 2 246.310 2.721 20 0 BFADLO Cc1nnc([C@H](C)[N@@H+]2CCC=C(C)C2)s1 ZINC000282362093 168100775 /nfs/dbraw/zinc/10/07/75/168100775.db2.gz BKCUOXQMFKUKPD-VIFPVBQESA-N 1 2 223.345 2.560 20 0 BFADLO Cc1nnc([C@H](C)[N@H+]2CCC=C(C)C2)s1 ZINC000282362093 168100778 /nfs/dbraw/zinc/10/07/78/168100778.db2.gz BKCUOXQMFKUKPD-VIFPVBQESA-N 1 2 223.345 2.560 20 0 BFADLO CC1=CC[N@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000270365763 168118114 /nfs/dbraw/zinc/11/81/14/168118114.db2.gz SKHFEEIVTUCSGY-JTQLQIEISA-N 1 2 233.315 2.660 20 0 BFADLO CC1=CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000270365763 168118116 /nfs/dbraw/zinc/11/81/16/168118116.db2.gz SKHFEEIVTUCSGY-JTQLQIEISA-N 1 2 233.315 2.660 20 0 BFADLO CC1=C[C@H](C)C[C@@H](CNc2ccc(CO)c[nH+]2)C1 ZINC000356303247 168129993 /nfs/dbraw/zinc/12/99/93/168129993.db2.gz NRRNOHXKXCUUMC-SMDDNHRTSA-N 1 2 246.354 2.978 20 0 BFADLO CC(C)[C@H]([NH2+]C1CC(C)C1)C(F)(F)F ZINC000308668234 168146223 /nfs/dbraw/zinc/14/62/23/168146223.db2.gz UHVPUFMEFTXOLM-HACHORDNSA-N 1 2 209.255 2.961 20 0 BFADLO CC1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC000338959875 168191238 /nfs/dbraw/zinc/19/12/38/168191238.db2.gz XUFRMVAUBUHJEU-UHFFFAOYSA-N 1 2 213.683 2.931 20 0 BFADLO CCC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293427388 168249686 /nfs/dbraw/zinc/24/96/86/168249686.db2.gz NOCWRVJJXIKZRR-UHFFFAOYSA-N 1 2 221.300 2.967 20 0 BFADLO CCC(C)(C)C(=O)Nc1cc[nH+]cc1C ZINC000107289243 168269027 /nfs/dbraw/zinc/26/90/27/168269027.db2.gz LTMORDRYYSOWCQ-UHFFFAOYSA-N 1 2 206.289 2.765 20 0 BFADLO CCC(C)(C)[N@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336712059 168289060 /nfs/dbraw/zinc/28/90/60/168289060.db2.gz NKTXVURYEALMHP-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO CCC(C)(C)[N@@H+](C)Cc1noc(C(C)(C)C)n1 ZINC000336712059 168289062 /nfs/dbraw/zinc/28/90/62/168289062.db2.gz NKTXVURYEALMHP-UHFFFAOYSA-N 1 2 239.363 2.988 20 0 BFADLO Cc1cn2cc(NC(=O)/C=C/C3CC3)ccc2[nH+]1 ZINC000266296412 411417776 /nfs/dbraw/zinc/41/77/76/411417776.db2.gz PVFGLJQGSRTHKP-QPJJXVBHSA-N 1 2 241.294 2.547 20 0 BFADLO CCc1cc(N)nc(SCCC2CCC2)[nH+]1 ZINC000657259027 411432340 /nfs/dbraw/zinc/43/23/40/411432340.db2.gz DOFVGZFVAQTINL-UHFFFAOYSA-N 1 2 237.372 2.904 20 0 BFADLO C[C@@H]1CCCC[C@@H]1COCc1[nH]cc[nH+]1 ZINC000657254847 411435747 /nfs/dbraw/zinc/43/57/47/411435747.db2.gz DFPOETJMNHFEDC-GHMZBOCLSA-N 1 2 208.305 2.753 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccsc2)c(C)o1 ZINC000659822375 411463818 /nfs/dbraw/zinc/46/38/18/411463818.db2.gz SQZYAKMQGUYXSG-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccsc2)c(C)o1 ZINC000659822375 411463820 /nfs/dbraw/zinc/46/38/20/411463820.db2.gz SQZYAKMQGUYXSG-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO COc1ccc(N[C@@H]2CC[C@H](C)SC2)[nH+]c1 ZINC000655743918 411447513 /nfs/dbraw/zinc/44/75/13/411447513.db2.gz MCPQKANXJWJBHY-VHSXEESVSA-N 1 2 238.356 2.786 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2)c(C)o1 ZINC000659852160 411477404 /nfs/dbraw/zinc/47/74/04/411477404.db2.gz MAWPVQPRSREHDP-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2)c(C)o1 ZINC000659852160 411477406 /nfs/dbraw/zinc/47/74/06/411477406.db2.gz MAWPVQPRSREHDP-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CCC[N@H+](CC(F)F)[C@H]1COC(C)(C)C1 ZINC000659868958 411483148 /nfs/dbraw/zinc/48/31/48/411483148.db2.gz RXEBSYVAFSIVPU-SECBINFHSA-N 1 2 221.291 2.531 20 0 BFADLO CCC[N@@H+](CC(F)F)[C@H]1COC(C)(C)C1 ZINC000659868958 411483150 /nfs/dbraw/zinc/48/31/50/411483150.db2.gz RXEBSYVAFSIVPU-SECBINFHSA-N 1 2 221.291 2.531 20 0 BFADLO Cc1ccc(C[N@@H+](C)Cc2coc(C)n2)s1 ZINC000659875305 411487554 /nfs/dbraw/zinc/48/75/54/411487554.db2.gz MAJQAAVAUSQZKB-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO Cc1ccc(C[N@H+](C)Cc2coc(C)n2)s1 ZINC000659875305 411487555 /nfs/dbraw/zinc/48/75/55/411487555.db2.gz MAJQAAVAUSQZKB-UHFFFAOYSA-N 1 2 236.340 2.985 20 0 BFADLO CC[C@H](CC(F)F)C[N@H+](C)CC(F)F ZINC000659879800 411488140 /nfs/dbraw/zinc/48/81/40/411488140.db2.gz XIDNUFKOJUXKQD-SSDOTTSWSA-N 1 2 215.234 2.865 20 0 BFADLO CC[C@H](CC(F)F)C[N@@H+](C)CC(F)F ZINC000659879800 411488142 /nfs/dbraw/zinc/48/81/42/411488142.db2.gz XIDNUFKOJUXKQD-SSDOTTSWSA-N 1 2 215.234 2.865 20 0 BFADLO COCC[N@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659879321 411488632 /nfs/dbraw/zinc/48/86/32/411488632.db2.gz SHUVTNLGIPBEOY-UTUOFQBUSA-N 1 2 247.329 2.636 20 0 BFADLO COCC[N@@H+](CC(F)F)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659879321 411488633 /nfs/dbraw/zinc/48/86/33/411488633.db2.gz SHUVTNLGIPBEOY-UTUOFQBUSA-N 1 2 247.329 2.636 20 0 BFADLO CO[C@H](C[N@H+](CC(F)F)C1CC1)C1CCC1 ZINC000659907567 411494417 /nfs/dbraw/zinc/49/44/17/411494417.db2.gz IRGBKOATCOVPOS-LLVKDONJSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@@H+](CC(F)F)C1CC1)C1CCC1 ZINC000659907567 411494418 /nfs/dbraw/zinc/49/44/18/411494418.db2.gz IRGBKOATCOVPOS-LLVKDONJSA-N 1 2 233.302 2.531 20 0 BFADLO Cc1c[nH]c(CNc2ccn(CCC(C)C)n2)[nH+]1 ZINC000657398137 411494766 /nfs/dbraw/zinc/49/47/66/411494766.db2.gz ICTUJZSIZNNFAA-UHFFFAOYSA-N 1 2 247.346 2.573 20 0 BFADLO CSc1ccncc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000657414050 411498867 /nfs/dbraw/zinc/49/88/67/411498867.db2.gz WTMKKHLLHYXEJG-UHFFFAOYSA-N 1 2 248.355 2.756 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2coc(C)n2)cc1 ZINC000659829816 411466477 /nfs/dbraw/zinc/46/64/77/411466477.db2.gz VYUKXTYDXRBTEK-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2coc(C)n2)cc1 ZINC000659829816 411466481 /nfs/dbraw/zinc/46/64/81/411466481.db2.gz VYUKXTYDXRBTEK-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCc1ccncc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000657502641 411539357 /nfs/dbraw/zinc/53/93/57/411539357.db2.gz RXZDZEQJYNXJST-UHFFFAOYSA-N 1 2 230.315 2.596 20 0 BFADLO Cc1nc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2C)no1 ZINC000660217245 411555128 /nfs/dbraw/zinc/55/51/28/411555128.db2.gz OXSFLKAXCDBFFH-JQWIXIFHSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)no1 ZINC000660217245 411555131 /nfs/dbraw/zinc/55/51/31/411555131.db2.gz OXSFLKAXCDBFFH-JQWIXIFHSA-N 1 2 237.347 2.636 20 0 BFADLO Cc1nc(C[NH+]2CC3(C2)CC(F)(F)C3)c(C)o1 ZINC000660146184 411545802 /nfs/dbraw/zinc/54/58/02/411545802.db2.gz DPFRIIWQFRPGKE-UHFFFAOYSA-N 1 2 242.269 2.523 20 0 BFADLO CCNc1cc[nH+]c2c(OC)cccc12 ZINC000050843595 170175410 /nfs/dbraw/zinc/17/54/10/170175410.db2.gz BZIFYLZOKZIECT-UHFFFAOYSA-N 1 2 202.257 2.675 20 0 BFADLO CCOC(=O)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000341833896 170215715 /nfs/dbraw/zinc/21/57/15/170215715.db2.gz HCWUVZDLFOOQSE-CYBMUJFWSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000341833896 170215717 /nfs/dbraw/zinc/21/57/17/170215717.db2.gz HCWUVZDLFOOQSE-CYBMUJFWSA-N 1 2 249.354 2.859 20 0 BFADLO CCOC(=O)C[N@H+](Cc1ccc(C)cc1)C1CC1 ZINC000045837908 170218147 /nfs/dbraw/zinc/21/81/47/170218147.db2.gz DWZXUCPVCQTHRV-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CCOC(=O)C[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000045837908 170218148 /nfs/dbraw/zinc/21/81/48/170218148.db2.gz DWZXUCPVCQTHRV-UHFFFAOYSA-N 1 2 247.338 2.523 20 0 BFADLO CCOC(=O)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000341913630 170226084 /nfs/dbraw/zinc/22/60/84/170226084.db2.gz UUBVHMOWQJZGHE-OAHLLOKOSA-N 1 2 247.338 2.599 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361595100 170250795 /nfs/dbraw/zinc/25/07/95/170250795.db2.gz SJHRDYRAUXPKSQ-CQSZACIVSA-N 1 2 247.338 2.652 20 0 BFADLO CCOC(=O)[C@@H](CC)[N@H+]1Cc2ccc(C)cc2C1 ZINC000361595100 170250797 /nfs/dbraw/zinc/25/07/97/170250797.db2.gz SJHRDYRAUXPKSQ-CQSZACIVSA-N 1 2 247.338 2.652 20 0 BFADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1ccccc1 ZINC000084100727 170251104 /nfs/dbraw/zinc/25/11/04/170251104.db2.gz WKNLQYLOIOFKRP-WCQYABFASA-N 1 2 235.327 2.679 20 0 BFADLO CCOC(=O)[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000174269985 170255606 /nfs/dbraw/zinc/25/56/06/170255606.db2.gz BWBCDFWATLMMRE-AWEZNQCLSA-N 1 2 247.338 2.681 20 0 BFADLO CCOC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361059310 170267417 /nfs/dbraw/zinc/26/74/17/170267417.db2.gz SKUBLXSLQCGIEM-MNOVXSKESA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361059310 170267418 /nfs/dbraw/zinc/26/74/18/170267418.db2.gz SKUBLXSLQCGIEM-MNOVXSKESA-N 1 2 233.311 2.515 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC000049369084 170268262 /nfs/dbraw/zinc/26/82/62/170268262.db2.gz GBMCCHVKEPWQBX-ZDUSSCGKSA-N 1 2 249.354 2.653 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000049368258 170268331 /nfs/dbraw/zinc/26/83/31/170268331.db2.gz ADNFEACWYAXLMU-OLZOCXBDSA-N 1 2 249.354 2.906 20 0 BFADLO CCOC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000049371019 170268656 /nfs/dbraw/zinc/26/86/56/170268656.db2.gz JYHCXUJNBKNAKO-JSGCOSHPSA-N 1 2 249.354 2.925 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339573701 170278912 /nfs/dbraw/zinc/27/89/12/170278912.db2.gz NIXJWOQLQUGJFN-DYEKYZERSA-N 1 2 247.338 2.631 20 0 BFADLO CCOC(=O)[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339573701 170278914 /nfs/dbraw/zinc/27/89/14/170278914.db2.gz NIXJWOQLQUGJFN-DYEKYZERSA-N 1 2 247.338 2.631 20 0 BFADLO CCOCCCCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000116260138 170370331 /nfs/dbraw/zinc/37/03/31/170370331.db2.gz NUBXFPUJIBIJLI-UHFFFAOYSA-N 1 2 249.358 2.891 20 0 BFADLO CO[C@@H](C[N@@H+]1CCCC[C@@H]1C(F)F)C1CCC1 ZINC000660482457 411592382 /nfs/dbraw/zinc/59/23/82/411592382.db2.gz DXRYZUWMYBQEAD-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@@H](C[N@H+]1CCCC[C@@H]1C(F)F)C1CCC1 ZINC000660482457 411592384 /nfs/dbraw/zinc/59/23/84/411592384.db2.gz DXRYZUWMYBQEAD-NEPJUHHUSA-N 1 2 247.329 2.921 20 0 BFADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cc[nH]c1 ZINC000657794645 411599938 /nfs/dbraw/zinc/59/99/38/411599938.db2.gz ZHRVRVLZYOMSNT-UHFFFAOYSA-N 1 2 216.275 2.786 20 0 BFADLO CCOc1nnc(C[N@H+](CC)[C@@H](C)CC)s1 ZINC000661105242 411707616 /nfs/dbraw/zinc/70/76/16/411707616.db2.gz DWRJYRAFRDNRCI-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO CCOc1nnc(C[N@@H+](CC)[C@@H](C)CC)s1 ZINC000661105242 411707619 /nfs/dbraw/zinc/70/76/19/411707619.db2.gz DWRJYRAFRDNRCI-VIFPVBQESA-N 1 2 243.376 2.557 20 0 BFADLO CCOc1cc2c(cc1[NH2+]C(C)C)OCCO2 ZINC000187299079 170529557 /nfs/dbraw/zinc/52/95/57/170529557.db2.gz NMWCDTGEOQXBTE-UHFFFAOYSA-N 1 2 237.299 2.677 20 0 BFADLO CCCc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000661087273 411698623 /nfs/dbraw/zinc/69/86/23/411698623.db2.gz NZARXQTWODNWTI-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCCc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000661087273 411698626 /nfs/dbraw/zinc/69/86/26/411698626.db2.gz NZARXQTWODNWTI-UHFFFAOYSA-N 1 2 243.354 2.994 20 0 BFADLO CCc1ccccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000661090892 411703078 /nfs/dbraw/zinc/70/30/78/411703078.db2.gz UTKFPPKWXDJAFT-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO CCc1ccccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000661090892 411703080 /nfs/dbraw/zinc/70/30/80/411703080.db2.gz UTKFPPKWXDJAFT-UHFFFAOYSA-N 1 2 229.327 2.604 20 0 BFADLO c1snnc1C[NH+]1CCC(C2CCC2)CC1 ZINC000661374177 411759257 /nfs/dbraw/zinc/75/92/57/411759257.db2.gz LJADGDQQFHVVKR-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO O[C@H]1CC[N@H+](CCC2CCCCC2)CC1(F)F ZINC000661410911 411770387 /nfs/dbraw/zinc/77/03/87/411770387.db2.gz WEEQULAHRKKQCE-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@H]1CC[N@@H+](CCC2CCCCC2)CC1(F)F ZINC000661410911 411770390 /nfs/dbraw/zinc/77/03/90/411770390.db2.gz WEEQULAHRKKQCE-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO Cn1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)cn1 ZINC000661514422 411793882 /nfs/dbraw/zinc/79/38/82/411793882.db2.gz WZDSADKOTLULSY-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO Cn1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)cn1 ZINC000661514422 411793885 /nfs/dbraw/zinc/79/38/85/411793885.db2.gz WZDSADKOTLULSY-AWEZNQCLSA-N 1 2 245.301 2.506 20 0 BFADLO C[C@H]1CCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663673121 411719847 /nfs/dbraw/zinc/71/98/47/411719847.db2.gz FKERLNVFVRODDO-JTQLQIEISA-N 1 2 227.311 2.806 20 0 BFADLO Cc1cc(N(C)[C@@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000663677692 411721248 /nfs/dbraw/zinc/72/12/48/411721248.db2.gz BRSXJVHFASLCSL-NSHDSACASA-N 1 2 243.310 2.688 20 0 BFADLO Cc1cc(N(C)[C@H](C)c2cccc(O)c2)nc[nH+]1 ZINC000663677688 411721516 /nfs/dbraw/zinc/72/15/16/411721516.db2.gz BRSXJVHFASLCSL-LLVKDONJSA-N 1 2 243.310 2.688 20 0 BFADLO c1coc(C2CC[NH+](Cc3csnn3)CC2)c1 ZINC000661160677 411724766 /nfs/dbraw/zinc/72/47/66/411724766.db2.gz ABVBPUWHZZCYKT-UHFFFAOYSA-N 1 2 249.339 2.511 20 0 BFADLO CC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661541195 411798878 /nfs/dbraw/zinc/79/88/78/411798878.db2.gz YCWGUPHJWODVLT-QMMMGPOBSA-N 1 2 245.248 2.652 20 0 BFADLO CC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661541195 411798880 /nfs/dbraw/zinc/79/88/80/411798880.db2.gz YCWGUPHJWODVLT-QMMMGPOBSA-N 1 2 245.248 2.652 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1conc1C ZINC000664019865 411817110 /nfs/dbraw/zinc/81/71/10/411817110.db2.gz NMDSLIDQIDLWRR-UHFFFAOYSA-N 1 2 232.283 2.828 20 0 BFADLO Cc1cc[nH+]cc1Cn1ccc(C(C)(C)C)n1 ZINC000664041355 411823906 /nfs/dbraw/zinc/82/39/06/411823906.db2.gz HLZFHJVXMJSTRZ-UHFFFAOYSA-N 1 2 229.327 2.932 20 0 BFADLO Nc1[nH+]cccc1COc1cccc2c1CCC2 ZINC000664102515 411854001 /nfs/dbraw/zinc/85/40/01/411854001.db2.gz CZQZYRURCBANSL-UHFFFAOYSA-N 1 2 240.306 2.732 20 0 BFADLO CC(C)c1cc(NC/C=C\CO)nc(C(C)C)[nH+]1 ZINC000664234178 411891803 /nfs/dbraw/zinc/89/18/03/411891803.db2.gz BMUMNYNVVAORFO-WAYWQWQTSA-N 1 2 249.358 2.684 20 0 BFADLO Cc1nc(NCCCC2CCC2)cc[nH+]1 ZINC000664397762 411942402 /nfs/dbraw/zinc/94/24/02/411942402.db2.gz VHOYTEOJIYMPNM-UHFFFAOYSA-N 1 2 205.305 2.777 20 0 BFADLO CCc1cc(N[C@H](C)c2cscn2)nc[nH+]1 ZINC000664260926 411902724 /nfs/dbraw/zinc/90/27/24/411902724.db2.gz MLTNHOWLMUFJCZ-MRVPVSSYSA-N 1 2 234.328 2.669 20 0 BFADLO FC(F)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661866227 411909025 /nfs/dbraw/zinc/90/90/25/411909025.db2.gz ITOJYMSIOKRURG-LLVKDONJSA-N 1 2 233.302 2.533 20 0 BFADLO Cc1cc(N2CC[C@@H]2c2ccc(F)cc2)nc[nH+]1 ZINC000664291542 411913534 /nfs/dbraw/zinc/91/35/34/411913534.db2.gz XOBLGMVVSAJBGY-CYBMUJFWSA-N 1 2 243.285 2.876 20 0 BFADLO CC(C)(F)CCNc1cc(NC2CC2)nc[nH+]1 ZINC000664372035 411932815 /nfs/dbraw/zinc/93/28/15/411932815.db2.gz PYPNKBOCBFCNEJ-UHFFFAOYSA-N 1 2 238.310 2.601 20 0 BFADLO CC(C)(F)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000664372035 411932821 /nfs/dbraw/zinc/93/28/21/411932821.db2.gz PYPNKBOCBFCNEJ-UHFFFAOYSA-N 1 2 238.310 2.601 20 0 BFADLO Cc1nc(NC[C@@H]2CCC[C@H]3C[C@H]32)cc[nH+]1 ZINC000664386148 411936975 /nfs/dbraw/zinc/93/69/75/411936975.db2.gz MOKCFGUKUPLJCJ-SDDRHHMPSA-N 1 2 217.316 2.633 20 0 BFADLO Cc1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC000664385189 411937131 /nfs/dbraw/zinc/93/71/31/411937131.db2.gz GDDIETCXFTUNPQ-SDDRHHMPSA-N 1 2 217.316 2.633 20 0 BFADLO Nc1[nH+]cnc(NCCCC2CCC2)c1Cl ZINC000664394627 411941423 /nfs/dbraw/zinc/94/14/23/411941423.db2.gz GDINGRYCNYKXQZ-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO Nc1nc[nH+]c(NCCCC2CCC2)c1Cl ZINC000664394627 411941428 /nfs/dbraw/zinc/94/14/28/411941428.db2.gz GDINGRYCNYKXQZ-UHFFFAOYSA-N 1 2 240.738 2.704 20 0 BFADLO C[C@H]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)O1 ZINC000664393836 411941512 /nfs/dbraw/zinc/94/15/12/411941512.db2.gz IESFCNIFOXILEW-JQWIXIFHSA-N 1 2 247.342 2.724 20 0 BFADLO c1ccc(N2CCC([C@@H]3CCCCO3)CC2)[nH+]c1 ZINC000664483819 411970830 /nfs/dbraw/zinc/97/08/30/411970830.db2.gz OQROKLTZPUAIDL-AWEZNQCLSA-N 1 2 246.354 2.867 20 0 BFADLO c1ccc(N2CCC[C@H]([C@H]3CCCCO3)C2)[nH+]c1 ZINC000664482234 411970928 /nfs/dbraw/zinc/97/09/28/411970928.db2.gz HWKLHBODBJPHSN-UONOGXRCSA-N 1 2 246.354 2.867 20 0 BFADLO CCc1cc(NC[C@@H](OC)C2CCCC2)nc[nH+]1 ZINC000664557406 411986103 /nfs/dbraw/zinc/98/61/03/411986103.db2.gz BWQWQRVHDRDKBM-CYBMUJFWSA-N 1 2 249.358 2.656 20 0 BFADLO CC(C)c1cc(N[C@@H](C)c2[nH+]ccn2C)ncn1 ZINC000664609117 411998281 /nfs/dbraw/zinc/99/82/81/411998281.db2.gz WCRJFZGZZSRASX-JTQLQIEISA-N 1 2 245.330 2.507 20 0 BFADLO Cc1nc(N(CCC2CC2)CC2CC2)cc[nH+]1 ZINC000664614794 412000209 /nfs/dbraw/zinc/00/02/09/412000209.db2.gz JYUOKDQNSMKDDP-UHFFFAOYSA-N 1 2 231.343 2.802 20 0 BFADLO FCCOCCNc1ccc2ccccc2[nH+]1 ZINC000664677360 412009672 /nfs/dbraw/zinc/00/96/72/412009672.db2.gz YMYUDOCAFVUISD-UHFFFAOYSA-N 1 2 234.274 2.633 20 0 BFADLO CC[C@@H](Nc1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000664437978 411957168 /nfs/dbraw/zinc/95/71/68/411957168.db2.gz QGNWWECKHYWOSJ-LLVKDONJSA-N 1 2 230.315 2.867 20 0 BFADLO CC[C@@H](Nc1nc(N)c2ccccc2[nH+]1)C1CC1 ZINC000664438417 411958017 /nfs/dbraw/zinc/95/80/17/411958017.db2.gz RNLYTHNKSHBBEX-LLVKDONJSA-N 1 2 242.326 2.813 20 0 BFADLO c1n[nH]c2c1C[N@H+](CC1CCCCC1)CCC2 ZINC000664862417 412033726 /nfs/dbraw/zinc/03/37/26/412033726.db2.gz ILWGINHARICHEH-UHFFFAOYSA-N 1 2 233.359 2.738 20 0 BFADLO c1n[nH]c2c1C[N@@H+](CC1CCCCC1)CCC2 ZINC000664862417 412033730 /nfs/dbraw/zinc/03/37/30/412033730.db2.gz ILWGINHARICHEH-UHFFFAOYSA-N 1 2 233.359 2.738 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CCC(C)C)n1 ZINC000664981721 412055444 /nfs/dbraw/zinc/05/54/44/412055444.db2.gz YIZJDMWXXRGQNS-UHFFFAOYSA-N 1 2 245.326 2.952 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc([C@H]2CC2(C)C)n1 ZINC000664983665 412056481 /nfs/dbraw/zinc/05/64/81/412056481.db2.gz GBGGZLNXTMEMEY-LLVKDONJSA-N 1 2 243.310 2.877 20 0 BFADLO Cc1cc[nH+]cc1Cc1noc(CC2(C)CC2)n1 ZINC000664983475 412057262 /nfs/dbraw/zinc/05/72/62/412057262.db2.gz UNIQMQWBUYLMEL-UHFFFAOYSA-N 1 2 243.310 2.706 20 0 BFADLO CC[C@@H]1CC[N@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000125360229 171014363 /nfs/dbraw/zinc/01/43/63/171014363.db2.gz ZRMNZYSNJPOQCX-SNVBAGLBSA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@@H]1CC[N@@H+](Cc2noc(C(C)(C)C)n2)C1 ZINC000125360229 171014364 /nfs/dbraw/zinc/01/43/64/171014364.db2.gz ZRMNZYSNJPOQCX-SNVBAGLBSA-N 1 2 237.347 2.599 20 0 BFADLO CC[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000268063978 171014599 /nfs/dbraw/zinc/01/45/99/171014599.db2.gz ZWEZAQRHEIBMCB-LLVKDONJSA-N 1 2 227.311 2.866 20 0 BFADLO CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C)[nH+]c2C)O1 ZINC000268069174 171032992 /nfs/dbraw/zinc/03/29/92/171032992.db2.gz DHMFBJRFBXPWRI-YPMHNXCESA-N 1 2 248.326 2.595 20 0 BFADLO CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000277111650 171151322 /nfs/dbraw/zinc/15/13/22/171151322.db2.gz XPIMUBCAJGJHQV-YPMHNXCESA-N 1 2 248.326 2.534 20 0 BFADLO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2ncc(C)o2)CCO1 ZINC000336497370 171205033 /nfs/dbraw/zinc/20/50/33/171205033.db2.gz IHRUYOFZLISYJX-AAEUAGOBSA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@@]1(C)C[N@H+]([C@@H](C)c2ncc(C)o2)CCO1 ZINC000336497370 171205036 /nfs/dbraw/zinc/20/50/36/171205036.db2.gz IHRUYOFZLISYJX-AAEUAGOBSA-N 1 2 238.331 2.545 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@](C)(F)C1 ZINC000361863300 171239302 /nfs/dbraw/zinc/23/93/02/171239302.db2.gz UYGPUZWGPXQPII-ZWNOBZJWSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@](C)(F)C1 ZINC000361863300 171239304 /nfs/dbraw/zinc/23/93/04/171239304.db2.gz UYGPUZWGPXQPII-ZWNOBZJWSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119334636 171254638 /nfs/dbraw/zinc/25/46/38/171254638.db2.gz NPYIGEOXUWDECP-QMMMGPOBSA-N 1 2 206.289 2.683 20 0 BFADLO CC[C@H](C)Cc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000288826613 171299923 /nfs/dbraw/zinc/29/99/23/171299923.db2.gz BESJHILCTYDQFF-JTQLQIEISA-N 1 2 245.326 2.952 20 0 BFADLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccsc1 ZINC000281301714 171311822 /nfs/dbraw/zinc/31/18/22/171311822.db2.gz PSHINAVFSGQLQF-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccsc1 ZINC000281301714 171311824 /nfs/dbraw/zinc/31/18/24/171311824.db2.gz PSHINAVFSGQLQF-JTQLQIEISA-N 1 2 241.356 2.522 20 0 BFADLO CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000357519493 171383826 /nfs/dbraw/zinc/38/38/26/171383826.db2.gz OVTJPEJXNDXKQV-SDDRHHMPSA-N 1 2 249.358 2.755 20 0 BFADLO CC[C@H](C)[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341494917 171385792 /nfs/dbraw/zinc/38/57/92/171385792.db2.gz YOCAOBUQFKXUPP-ONGXEEELSA-N 1 2 233.359 2.931 20 0 BFADLO FC(F)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662333038 412106280 /nfs/dbraw/zinc/10/62/80/412106280.db2.gz SKADZAUQOFHBHL-UHFFFAOYSA-N 1 2 223.266 2.873 20 0 BFADLO FC(F)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662333038 412106284 /nfs/dbraw/zinc/10/62/84/412106284.db2.gz SKADZAUQOFHBHL-UHFFFAOYSA-N 1 2 223.266 2.873 20 0 BFADLO CC[C@H](CCO)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000135817328 171429083 /nfs/dbraw/zinc/42/90/83/171429083.db2.gz YGFIZRDQZLQSGM-SECBINFHSA-N 1 2 248.248 2.673 20 0 BFADLO CCCOc1ccc(-c2[nH+]ccn2C)c(OC)c1 ZINC000665181649 412122236 /nfs/dbraw/zinc/12/22/36/412122236.db2.gz VMXWGJSOBSILAA-UHFFFAOYSA-N 1 2 246.310 2.885 20 0 BFADLO CC(C)Oc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000665185946 412123511 /nfs/dbraw/zinc/12/35/11/412123511.db2.gz VOUDLGZCAQRIMP-UHFFFAOYSA-N 1 2 202.257 2.864 20 0 BFADLO CSc1cc(C)c(-c2c[nH+]cn2C)cn1 ZINC000665194812 412128755 /nfs/dbraw/zinc/12/87/55/412128755.db2.gz BKCYJORSMKSDJN-UHFFFAOYSA-N 1 2 219.313 2.512 20 0 BFADLO C[C@@]1(C(F)F)C[N@H+](Cc2cccs2)CCO1 ZINC000662372733 412130099 /nfs/dbraw/zinc/13/00/99/412130099.db2.gz WSQGFVNRWNPIEK-NSHDSACASA-N 1 2 247.310 2.604 20 0 BFADLO C[C@@]1(C(F)F)C[N@@H+](Cc2cccs2)CCO1 ZINC000662372733 412130102 /nfs/dbraw/zinc/13/01/02/412130102.db2.gz WSQGFVNRWNPIEK-NSHDSACASA-N 1 2 247.310 2.604 20 0 BFADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1ccncc1 ZINC000301406656 171550831 /nfs/dbraw/zinc/55/08/31/171550831.db2.gz VDDQJVJBXBPLIR-LBPRGKRZSA-N 1 2 228.299 2.743 20 0 BFADLO CC[C@H]1CC[C@H](C(=O)Nc2ccc(C)[nH+]c2C)O1 ZINC000268069173 171645074 /nfs/dbraw/zinc/64/50/74/171645074.db2.gz DHMFBJRFBXPWRI-WCQYABFASA-N 1 2 248.326 2.595 20 0 BFADLO Cc1c[nH+]c(C)nc1N(C)CCc1cccs1 ZINC000568244269 322930072 /nfs/dbraw/zinc/93/00/72/322930072.db2.gz HAKRTYBOXZPXAD-UHFFFAOYSA-N 1 2 247.367 2.834 20 0 BFADLO CCc1ccnc(CNc2cccc[nH+]2)c1 ZINC000336673076 171905400 /nfs/dbraw/zinc/90/54/00/171905400.db2.gz AITMBSSXPVQAFK-UHFFFAOYSA-N 1 2 213.284 2.651 20 0 BFADLO CCc1ccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)o1 ZINC000678605925 487623879 /nfs/dbraw/zinc/62/38/79/487623879.db2.gz VOYWBZMXMRPKPK-LLVKDONJSA-N 1 2 245.326 2.791 20 0 BFADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)[nH]1 ZINC000271411409 172001832 /nfs/dbraw/zinc/00/18/32/172001832.db2.gz ARNQZCQABZWICF-VHSXEESVSA-N 1 2 248.330 2.680 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@@H+]2CCCF)no1 ZINC000363787330 172004567 /nfs/dbraw/zinc/00/45/67/172004567.db2.gz IPRTYROQEFJLIY-JTQLQIEISA-N 1 2 241.310 2.519 20 0 BFADLO CCc1nc([C@@H]2CCCC[N@H+]2CCCF)no1 ZINC000363787330 172004570 /nfs/dbraw/zinc/00/45/70/172004570.db2.gz IPRTYROQEFJLIY-JTQLQIEISA-N 1 2 241.310 2.519 20 0 BFADLO CCc1ncc(C[NH2+][C@@H](C)c2ccon2)s1 ZINC000336673448 172019431 /nfs/dbraw/zinc/01/94/31/172019431.db2.gz ALRVTVVODAKOTQ-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1nnc(C[NH2+]C(C)(C)c2ccccc2)o1 ZINC000299557906 172052370 /nfs/dbraw/zinc/05/23/70/172052370.db2.gz DMOXNCAKMNOISS-UHFFFAOYSA-N 1 2 245.326 2.657 20 0 BFADLO CCc1nnc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000273226932 172053558 /nfs/dbraw/zinc/05/35/58/172053558.db2.gz BTBHKHZRTGPLSA-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000336270021 172064917 /nfs/dbraw/zinc/06/49/17/172064917.db2.gz CKDWQHOHKSXJEN-SKDRFNHKSA-N 1 2 241.310 2.517 20 0 BFADLO CCc1nnc([C@@H](C)[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000336270021 172064918 /nfs/dbraw/zinc/06/49/18/172064918.db2.gz CKDWQHOHKSXJEN-SKDRFNHKSA-N 1 2 241.310 2.517 20 0 BFADLO CCn1ccnc1C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000296551539 172223444 /nfs/dbraw/zinc/22/34/44/172223444.db2.gz RPCWXEOQYISFGN-NSHDSACASA-N 1 2 247.342 2.964 20 0 BFADLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C(C)C ZINC000281914057 172229329 /nfs/dbraw/zinc/22/93/29/172229329.db2.gz VBQJFUDWWKQHCO-LBPRGKRZSA-N 1 2 249.358 2.613 20 0 BFADLO CCn1nccc1CNc1ccc(C)[nH+]c1C ZINC000119823649 172274028 /nfs/dbraw/zinc/27/40/28/172274028.db2.gz VZJREMCVBOEEHK-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO Cc1ccc(NC(=O)C2(CF)CCC2)c(C)[nH+]1 ZINC000335394468 487625348 /nfs/dbraw/zinc/62/53/48/487625348.db2.gz VUAANTJLLVTNGY-UHFFFAOYSA-N 1 2 236.290 2.777 20 0 BFADLO C[N@H+]1Cc2ccccc2[C@H](NCc2ccco2)C1 ZINC000363158734 173202274 /nfs/dbraw/zinc/20/22/74/173202274.db2.gz DHNGXFXPRUWGND-OAHLLOKOSA-N 1 2 242.322 2.556 20 0 BFADLO C[N@@H+]1Cc2ccccc2[C@H](NCc2ccco2)C1 ZINC000363158734 173202275 /nfs/dbraw/zinc/20/22/75/173202275.db2.gz DHNGXFXPRUWGND-OAHLLOKOSA-N 1 2 242.322 2.556 20 0 BFADLO C[NH2+]Cc1noc([C@]2(C)CC[C@H](C)C2(C)C)n1 ZINC000334881819 173399284 /nfs/dbraw/zinc/39/92/84/173399284.db2.gz MIYVYBAUYCMCFZ-ZANVPECISA-N 1 2 237.347 2.503 20 0 BFADLO CC(C)=CC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662225686 487626853 /nfs/dbraw/zinc/62/68/53/487626853.db2.gz BTSRMUAZKLWIMN-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO CC(C)=CC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662225686 487626855 /nfs/dbraw/zinc/62/68/55/487626855.db2.gz BTSRMUAZKLWIMN-SNVBAGLBSA-N 1 2 237.265 2.606 20 0 BFADLO COC1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000164270831 174025413 /nfs/dbraw/zinc/02/54/13/174025413.db2.gz CDIKTTFBIYDBGS-UHFFFAOYSA-N 1 2 220.316 2.760 20 0 BFADLO COC1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000357919558 174035296 /nfs/dbraw/zinc/03/52/96/174035296.db2.gz WAJXALWWLMXQMH-UHFFFAOYSA-N 1 2 245.244 2.536 20 0 BFADLO COCCC(C)(C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000353257879 174148974 /nfs/dbraw/zinc/14/89/74/174148974.db2.gz BSDOIYVTEVKIBL-UHFFFAOYSA-N 1 2 249.358 2.889 20 0 BFADLO COCCCCSc1[nH+]cc2ccccn21 ZINC000114096842 174208876 /nfs/dbraw/zinc/20/88/76/174208876.db2.gz YFDVPILRQVSOFN-UHFFFAOYSA-N 1 2 236.340 2.853 20 0 BFADLO COCCC[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309958236 174264132 /nfs/dbraw/zinc/26/41/32/174264132.db2.gz JQIUUDOJZSQKMV-UWVGGRQHSA-N 1 2 241.297 2.978 20 0 BFADLO COCCC[C@H](C)[NH2+][C@H](C(C)C)C(F)(F)F ZINC000336760396 174264265 /nfs/dbraw/zinc/26/42/65/174264265.db2.gz JQIUUDOJZSQKMV-VHSXEESVSA-N 1 2 241.297 2.978 20 0 BFADLO COCC[N@H+](CCC(C)(C)C)CC(F)F ZINC000112697713 174289330 /nfs/dbraw/zinc/28/93/30/174289330.db2.gz IBYQCTOVCRCMIS-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO COCC[N@@H+](CCC(C)(C)C)CC(F)F ZINC000112697713 174289331 /nfs/dbraw/zinc/28/93/31/174289331.db2.gz IBYQCTOVCRCMIS-UHFFFAOYSA-N 1 2 223.307 2.636 20 0 BFADLO COCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000133510921 174300232 /nfs/dbraw/zinc/30/02/32/174300232.db2.gz INVUWNZYWFYQDE-UHFFFAOYSA-N 1 2 242.322 2.735 20 0 BFADLO COCCOc1cc(C)ccc1[NH2+]C(C)C ZINC000037778962 174368076 /nfs/dbraw/zinc/36/80/76/174368076.db2.gz XMYHXLYBWGEMMO-UHFFFAOYSA-N 1 2 223.316 2.841 20 0 BFADLO CO[C@H](C)CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000272910415 174819443 /nfs/dbraw/zinc/81/94/43/174819443.db2.gz RCSVYZLODWVGGY-SNVBAGLBSA-N 1 2 249.358 2.501 20 0 BFADLO COc1cc(OC)c(OC)cc1[NH2+]C(C)C ZINC000034949621 175006985 /nfs/dbraw/zinc/00/69/85/175006985.db2.gz DUEKDEYNLKAUJJ-UHFFFAOYSA-N 1 2 225.288 2.533 20 0 BFADLO COc1ccc(C)cc1CNc1cc[nH+]cc1F ZINC000361800383 175074490 /nfs/dbraw/zinc/07/44/90/175074490.db2.gz SFPFYIHSOJLASP-UHFFFAOYSA-N 1 2 246.285 2.572 20 0 BFADLO COc1ccc(C)cc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294181969 175078617 /nfs/dbraw/zinc/07/86/17/175078617.db2.gz RZDZORAZFKLQBL-LLVKDONJSA-N 1 2 243.310 2.757 20 0 BFADLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000036961277 175081251 /nfs/dbraw/zinc/08/12/51/175081251.db2.gz UKFHPLLVAWZSOC-NSHDSACASA-N 1 2 245.326 2.578 20 0 BFADLO COc1ccc(COc2cc[nH+]cc2)cc1F ZINC000356086416 175114424 /nfs/dbraw/zinc/11/44/24/175114424.db2.gz CAXNSKBTGXDGHV-UHFFFAOYSA-N 1 2 233.242 2.808 20 0 BFADLO COc1ccc(Cl)cc1-c1cc[nH+]c(N)c1 ZINC000082334004 175119978 /nfs/dbraw/zinc/11/99/78/175119978.db2.gz ODQUGOBJYQTEQY-UHFFFAOYSA-N 1 2 234.686 2.993 20 0 BFADLO COc1ccc([NH2+]C[C@@H]2CCSC2)cc1 ZINC000224290350 175151905 /nfs/dbraw/zinc/15/19/05/175151905.db2.gz HNNNZABMKYSFEY-JTQLQIEISA-N 1 2 223.341 2.860 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000162818219 175153254 /nfs/dbraw/zinc/15/32/54/175153254.db2.gz TYYMCCZPNYWWPR-WDEREUQCSA-N 1 2 221.300 2.532 20 0 BFADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)c(C)c1 ZINC000165616807 175153430 /nfs/dbraw/zinc/15/34/30/175153430.db2.gz IUISQCJCPXNCMY-NWDGAFQWSA-N 1 2 235.327 2.841 20 0 BFADLO COc1ccc(Nc2ccc(N)[nH+]c2)cc1C ZINC000049529058 175156170 /nfs/dbraw/zinc/15/61/70/175156170.db2.gz HFNJGAFCSXERIO-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO COc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000090340479 175177893 /nfs/dbraw/zinc/17/78/93/175177893.db2.gz ZDFZCOYVPPBXIY-SNVBAGLBSA-N 1 2 243.310 2.967 20 0 BFADLO COc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1 ZINC000271971801 175189346 /nfs/dbraw/zinc/18/93/46/175189346.db2.gz DQOQLQNFRHDIJW-JTQLQIEISA-N 1 2 232.283 2.534 20 0 BFADLO COc1ccccc1CCC[N@H+](C)CC(F)F ZINC000356254886 175322352 /nfs/dbraw/zinc/32/23/52/175322352.db2.gz MULZIZJSHDZEJX-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO COc1ccccc1CCC[N@@H+](C)CC(F)F ZINC000356254886 175322354 /nfs/dbraw/zinc/32/23/54/175322354.db2.gz MULZIZJSHDZEJX-UHFFFAOYSA-N 1 2 243.297 2.825 20 0 BFADLO COc1ccccc1C[N@H+](C)Cc1nccs1 ZINC000269701782 175326316 /nfs/dbraw/zinc/32/63/16/175326316.db2.gz YSURXKZCKPLNNM-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccccc1C[N@@H+](C)Cc1nccs1 ZINC000269701782 175326319 /nfs/dbraw/zinc/32/63/19/175326319.db2.gz YSURXKZCKPLNNM-UHFFFAOYSA-N 1 2 248.351 2.784 20 0 BFADLO COc1ccccc1[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000223592950 175351504 /nfs/dbraw/zinc/35/15/04/175351504.db2.gz RUCLQRAQACWOJA-NSHDSACASA-N 1 2 246.310 2.842 20 0 BFADLO COc1ccnc(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000106859423 175358317 /nfs/dbraw/zinc/35/83/17/175358317.db2.gz XYNLTEDSXMBHFD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccnc(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000106859423 175358319 /nfs/dbraw/zinc/35/83/19/175358319.db2.gz XYNLTEDSXMBHFD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc[nH+]c(CN(C)Cc2ccc(C)o2)c1 ZINC000106859423 175358321 /nfs/dbraw/zinc/35/83/21/175358321.db2.gz XYNLTEDSXMBHFD-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cc[nH+]cc1CSC[C@H]1CCCO1 ZINC000286654747 175373505 /nfs/dbraw/zinc/37/35/05/175373505.db2.gz WZXBMYBKQRFGFT-LLVKDONJSA-N 1 2 239.340 2.502 20 0 BFADLO COc1cc[nH+]cc1COc1ccccc1F ZINC000310337634 175373570 /nfs/dbraw/zinc/37/35/70/175373570.db2.gz BUUNXESBSROUCU-UHFFFAOYSA-N 1 2 233.242 2.808 20 0 BFADLO COc1cc[nH+]cc1CS[C@H]1CCO[C@H]1C ZINC000286559070 175373944 /nfs/dbraw/zinc/37/39/44/175373944.db2.gz PUVRDUQJRYORMZ-CABZTGNLSA-N 1 2 239.340 2.501 20 0 BFADLO COc1cc[nH+]cc1NC(=O)[C@H](C)CC(C)C ZINC000185288248 175374871 /nfs/dbraw/zinc/37/48/71/175374871.db2.gz MQMFKPYWTHTWDI-SNVBAGLBSA-N 1 2 236.315 2.711 20 0 BFADLO COc1cc[nH+]cc1NC(=O)C[C@H](C)C(C)C ZINC000067822555 175375109 /nfs/dbraw/zinc/37/51/09/175375109.db2.gz NKOXPQSCNMMTLW-JTQLQIEISA-N 1 2 236.315 2.711 20 0 BFADLO COc1cc[nH+]cc1NCCCC(C)C ZINC000309076938 175376301 /nfs/dbraw/zinc/37/63/01/175376301.db2.gz LPHAIEHXUBOASY-UHFFFAOYSA-N 1 2 208.305 2.938 20 0 BFADLO COc1ccsc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000106283069 175377103 /nfs/dbraw/zinc/37/71/03/175377103.db2.gz QPNUXPAAQXGOCV-UHFFFAOYSA-N 1 2 248.307 2.712 20 0 BFADLO COc1nc(C)cc(C)c1COc1cc[nH+]cc1 ZINC000292464690 175390405 /nfs/dbraw/zinc/39/04/05/175390405.db2.gz PCIYSYYTIGKFIG-UHFFFAOYSA-N 1 2 244.294 2.681 20 0 BFADLO C[C@@H](CO)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000134960111 175761451 /nfs/dbraw/zinc/76/14/51/175761451.db2.gz BPMMGFOOCOSGFK-WDEREUQCSA-N 1 2 230.311 2.664 20 0 BFADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCO[C@H](C)C1 ZINC000299021389 176015972 /nfs/dbraw/zinc/01/59/72/176015972.db2.gz FVULVPQRRQBQGQ-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCO[C@H](C)C1 ZINC000299021389 176015973 /nfs/dbraw/zinc/01/59/73/176015973.db2.gz FVULVPQRRQBQGQ-ZJUUUORDSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc[nH]n1 ZINC000114188345 176016229 /nfs/dbraw/zinc/01/62/29/176016229.db2.gz FJUBNYBCMFLTDA-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114188345 176016230 /nfs/dbraw/zinc/01/62/30/176016230.db2.gz FJUBNYBCMFLTDA-JTQLQIEISA-N 1 2 233.290 2.742 20 0 BFADLO C[C@@H]1CCCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000274789293 176064852 /nfs/dbraw/zinc/06/48/52/176064852.db2.gz YAGVWBGJIYTQQN-LLVKDONJSA-N 1 2 231.343 2.980 20 0 BFADLO C[C@@H]1CCCCN1c1[nH]c2ccccc2[nH+]1 ZINC000096906448 176075233 /nfs/dbraw/zinc/07/52/33/176075233.db2.gz LMKDWQFQVLRLOF-SNVBAGLBSA-N 1 2 215.300 2.942 20 0 BFADLO C[C@@H]1CCCC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000227841190 176089049 /nfs/dbraw/zinc/08/90/49/176089049.db2.gz GQGIJHUYKVNQGZ-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCCC[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000227841190 176089051 /nfs/dbraw/zinc/08/90/51/176089051.db2.gz GQGIJHUYKVNQGZ-HTQZYQBOSA-N 1 2 240.738 2.703 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301821398 176132872 /nfs/dbraw/zinc/13/28/72/176132872.db2.gz KAKQWTAPUYZTIZ-PWSUYJOCSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CCC[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301821398 176132874 /nfs/dbraw/zinc/13/28/74/176132874.db2.gz KAKQWTAPUYZTIZ-PWSUYJOCSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@@H]1CCC[C@H](c2noc(Cn3cc[nH+]c3)n2)C1 ZINC000278212873 176147073 /nfs/dbraw/zinc/14/70/73/176147073.db2.gz WJISWZFYHXJRDW-MNOVXSKESA-N 1 2 246.314 2.608 20 0 BFADLO C[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000302569103 176234814 /nfs/dbraw/zinc/23/48/14/176234814.db2.gz YAQZGNRPYRDZHZ-KOLCDFICSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cnc(Cl)s2)[C@@H]1C ZINC000293016261 176309065 /nfs/dbraw/zinc/30/90/65/176309065.db2.gz OLMSOHPICXDAFI-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cnc(Cl)s2)[C@@H]1C ZINC000293016261 176309067 /nfs/dbraw/zinc/30/90/67/176309067.db2.gz OLMSOHPICXDAFI-RNFRBKRXSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@H+](Cc2sccc2Cl)CCO1 ZINC000194319110 176313283 /nfs/dbraw/zinc/31/32/83/176313283.db2.gz ANRBVWYENFEXHF-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2sccc2Cl)CCO1 ZINC000194319110 176313285 /nfs/dbraw/zinc/31/32/85/176313285.db2.gz ANRBVWYENFEXHF-MRVPVSSYSA-N 1 2 231.748 2.622 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1C/C(Cl)=C/Cl ZINC000177762977 176351015 /nfs/dbraw/zinc/35/10/15/176351015.db2.gz KWZIZFOTXICNPZ-UDGZVJEDSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1CSCC[N@H+]1C/C(Cl)=C/Cl ZINC000177762977 176351017 /nfs/dbraw/zinc/35/10/17/176351017.db2.gz KWZIZFOTXICNPZ-UDGZVJEDSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1c(F)cccc1F ZINC000179665947 176351057 /nfs/dbraw/zinc/35/10/57/176351057.db2.gz RBFFYLVSTYCUSQ-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1c(F)cccc1F ZINC000179665947 176351058 /nfs/dbraw/zinc/35/10/58/176351058.db2.gz RBFFYLVSTYCUSQ-SECBINFHSA-N 1 2 243.322 2.902 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccon1 ZINC000295204869 176360155 /nfs/dbraw/zinc/36/01/55/176360155.db2.gz VWGJLMVGIZEZMM-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccon1 ZINC000295204869 176360156 /nfs/dbraw/zinc/36/01/56/176360156.db2.gz VWGJLMVGIZEZMM-BDAKNGLRSA-N 1 2 248.248 2.837 20 0 BFADLO C[C@@H]1C[C@@H](CNc2cc[nH+]c(C3CC3)n2)CCO1 ZINC000271417171 176369848 /nfs/dbraw/zinc/36/98/48/176369848.db2.gz ULGHKMUHLAPVCM-MNOVXSKESA-N 1 2 247.342 2.581 20 0 BFADLO C[C@H](CCCO)Nc1ccc2ccccc2[nH+]1 ZINC000094944778 176624883 /nfs/dbraw/zinc/62/48/83/176624883.db2.gz JAHDLAQHZBHEHT-LLVKDONJSA-N 1 2 230.311 2.808 20 0 BFADLO C[C@H]([NH2+]Cc1cnc[nH]1)c1cccc(F)c1F ZINC000179912401 176873356 /nfs/dbraw/zinc/87/33/56/176873356.db2.gz KZFKWCUYSYRFIH-QMMMGPOBSA-N 1 2 237.253 2.539 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc[nH]n1 ZINC000114188348 177034520 /nfs/dbraw/zinc/03/45/20/177034520.db2.gz FJUBNYBCMFLTDA-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114188348 177034521 /nfs/dbraw/zinc/03/45/21/177034521.db2.gz FJUBNYBCMFLTDA-SNVBAGLBSA-N 1 2 233.290 2.742 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1nccn1C ZINC000299580589 177036845 /nfs/dbraw/zinc/03/68/45/177036845.db2.gz IWDWBIJUCMRPDX-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1nccn1C ZINC000299580589 177036847 /nfs/dbraw/zinc/03/68/47/177036847.db2.gz IWDWBIJUCMRPDX-LLVKDONJSA-N 1 2 247.317 2.752 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1c[nH]cn1 ZINC000179408944 177048738 /nfs/dbraw/zinc/04/87/38/177048738.db2.gz PLFXGHCDPFMEGH-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1c[nH]cn1 ZINC000179408944 177048740 /nfs/dbraw/zinc/04/87/40/177048740.db2.gz PLFXGHCDPFMEGH-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1cccs1)[N@H+](C)Cc1cnc[nH]1 ZINC000179408944 177048743 /nfs/dbraw/zinc/04/87/43/177048743.db2.gz PLFXGHCDPFMEGH-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1cccs1)[N@@H+](C)Cc1cnc[nH]1 ZINC000179408944 177048745 /nfs/dbraw/zinc/04/87/45/177048745.db2.gz PLFXGHCDPFMEGH-SECBINFHSA-N 1 2 221.329 2.664 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](F)C1 ZINC000336263125 177054450 /nfs/dbraw/zinc/05/44/50/177054450.db2.gz SLIMDCZXCIKHBB-ZJUUUORDSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](F)C1 ZINC000336263125 177054451 /nfs/dbraw/zinc/05/44/51/177054451.db2.gz SLIMDCZXCIKHBB-ZJUUUORDSA-N 1 2 234.274 2.933 20 0 BFADLO C[C@H]1CCC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000359929016 177124032 /nfs/dbraw/zinc/12/40/32/177124032.db2.gz CGIJTDFBBVZEMH-NWDGAFQWSA-N 1 2 241.338 2.900 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301821396 177142698 /nfs/dbraw/zinc/14/26/98/177142698.db2.gz KAKQWTAPUYZTIZ-CMPLNLGQSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CCC[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301821396 177142700 /nfs/dbraw/zinc/14/27/00/177142700.db2.gz KAKQWTAPUYZTIZ-CMPLNLGQSA-N 1 2 246.358 2.899 20 0 BFADLO C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000267331423 177171503 /nfs/dbraw/zinc/17/15/03/177171503.db2.gz BSCZZSBHNGTDEO-QMMMGPOBSA-N 1 2 230.233 2.947 20 0 BFADLO C[C@@H]1[C@@H](C)CCN1c1[nH]c2ccccc2[nH+]1 ZINC000270600230 177172226 /nfs/dbraw/zinc/17/22/26/177172226.db2.gz VSJSCADDAXRCRI-VHSXEESVSA-N 1 2 215.300 2.798 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092140 177184297 /nfs/dbraw/zinc/18/42/97/177184297.db2.gz ADCYOVWHBVICAG-SFYZADRCSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(C(F)F)no2)C1 ZINC000335092140 177184299 /nfs/dbraw/zinc/18/42/99/177184299.db2.gz ADCYOVWHBVICAG-SFYZADRCSA-N 1 2 245.273 2.628 20 0 BFADLO C[C@H]1CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000360103246 177189437 /nfs/dbraw/zinc/18/94/37/177189437.db2.gz VAPYQGTUSUGKPY-WDEREUQCSA-N 1 2 231.343 2.624 20 0 BFADLO C[C@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000302569102 177194021 /nfs/dbraw/zinc/19/40/21/177194021.db2.gz YAQZGNRPYRDZHZ-GXSJLCMTSA-N 1 2 217.316 2.955 20 0 BFADLO C[C@H]1CC[C@H](C)N1c1cc(NCC2CC2)[nH+]cn1 ZINC000301916975 177200059 /nfs/dbraw/zinc/20/00/59/177200059.db2.gz VWFCOYDPMIBBKR-QWRGUYRKSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@H]1CC[C@H](C)N1c1cc(NCC2CC2)nc[nH+]1 ZINC000301916975 177200060 /nfs/dbraw/zinc/20/00/60/177200060.db2.gz VWFCOYDPMIBBKR-QWRGUYRKSA-N 1 2 246.358 2.676 20 0 BFADLO C[C@H]1CC[C@H](CSc2[nH+]cc3ccccn32)O1 ZINC000189987725 177202965 /nfs/dbraw/zinc/20/29/65/177202965.db2.gz FSBQICQYBVTSMC-CMPLNLGQSA-N 1 2 248.351 2.994 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(Cl)o2)CC(C)(C)O1 ZINC000352744342 177262392 /nfs/dbraw/zinc/26/23/92/177262392.db2.gz ZVHYJRWZDLWKSQ-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CC(C)(C)O1 ZINC000352744342 177262393 /nfs/dbraw/zinc/26/23/93/177262393.db2.gz ZVHYJRWZDLWKSQ-VIFPVBQESA-N 1 2 243.734 2.932 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccc(F)cc2F)[C@@H](C)CO1 ZINC000252659309 177263668 /nfs/dbraw/zinc/26/36/68/177263668.db2.gz MDKIKCHIYLJUAO-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2F)[C@@H](C)CO1 ZINC000252659309 177263669 /nfs/dbraw/zinc/26/36/69/177263669.db2.gz MDKIKCHIYLJUAO-UWVGGRQHSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000293016255 177269827 /nfs/dbraw/zinc/26/98/27/177269827.db2.gz OLMSOHPICXDAFI-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cnc(Cl)s1 ZINC000293016255 177269829 /nfs/dbraw/zinc/26/98/29/177269829.db2.gz OLMSOHPICXDAFI-NKWVEPMBSA-N 1 2 216.737 2.637 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000052916631 177265108 /nfs/dbraw/zinc/26/51/08/177265108.db2.gz UNVBQAUXGHHBQK-AOOOYVTPSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1C[N@H+](Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000052916631 177265110 /nfs/dbraw/zinc/26/51/10/177265110.db2.gz UNVBQAUXGHHBQK-AOOOYVTPSA-N 1 2 241.281 2.574 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1csc(C2CC2)n1 ZINC000336468634 177270894 /nfs/dbraw/zinc/27/08/94/177270894.db2.gz ZFBKHOFYHJVNBS-DTWKUNHWSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1csc(C2CC2)n1 ZINC000336468634 177270896 /nfs/dbraw/zinc/27/08/96/177270896.db2.gz ZFBKHOFYHJVNBS-DTWKUNHWSA-N 1 2 222.357 2.861 20 0 BFADLO C[C@H]1C[N@H+](Cc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000177829991 177271851 /nfs/dbraw/zinc/27/18/51/177271851.db2.gz VUNWZNZZJBERDW-FZMZJTMJSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ncc[nH]2)[C@@H]1c1ccccc1 ZINC000177829991 177271853 /nfs/dbraw/zinc/27/18/53/177271853.db2.gz VUNWZNZZJBERDW-FZMZJTMJSA-N 1 2 227.311 2.603 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CCO[C@@H](C)C1 ZINC000339586242 177275233 /nfs/dbraw/zinc/27/52/33/177275233.db2.gz FLIBAYULJPCGLW-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CCO[C@@H](C)C1 ZINC000339586242 177275234 /nfs/dbraw/zinc/27/52/34/177275234.db2.gz FLIBAYULJPCGLW-VHSXEESVSA-N 1 2 241.281 2.747 20 0 BFADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)C[C@@H]1C ZINC000267961163 177277471 /nfs/dbraw/zinc/27/74/71/177277471.db2.gz LCEDETCNWLNNNK-QWRGUYRKSA-N 1 2 227.311 2.722 20 0 BFADLO C[C@H]1CSCC[N@@H+]1Cc1cccnc1Cl ZINC000069760907 177304607 /nfs/dbraw/zinc/30/46/07/177304607.db2.gz KMDQLHBBXMZZAQ-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1CSCC[N@H+]1Cc1cccnc1Cl ZINC000069760907 177304609 /nfs/dbraw/zinc/30/46/09/177304609.db2.gz KMDQLHBBXMZZAQ-VIFPVBQESA-N 1 2 242.775 2.672 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc[nH]n1 ZINC000295106567 177309367 /nfs/dbraw/zinc/30/93/67/177309367.db2.gz VPYMXJHNYUSQNR-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc[nH]n1 ZINC000295106567 177309368 /nfs/dbraw/zinc/30/93/68/177309368.db2.gz VPYMXJHNYUSQNR-IUCAKERBSA-N 1 2 247.264 2.573 20 0 BFADLO CC[C@H]1CCCN(c2cc(CO)cc[nH+]2)CC1 ZINC000079359226 487639295 /nfs/dbraw/zinc/63/92/95/487639295.db2.gz HRNVZVOCVGHAQA-LBPRGKRZSA-N 1 2 234.343 2.590 20 0 BFADLO C[C@@]1(c2ccccc2)CC[N@H+](CC(F)F)C1 ZINC000674870351 487639607 /nfs/dbraw/zinc/63/96/07/487639607.db2.gz SSJPRPSALQDWAY-CYBMUJFWSA-N 1 2 225.282 2.915 20 0 BFADLO C[C@@]1(c2ccccc2)CC[N@@H+](CC(F)F)C1 ZINC000674870351 487639611 /nfs/dbraw/zinc/63/96/11/487639611.db2.gz SSJPRPSALQDWAY-CYBMUJFWSA-N 1 2 225.282 2.915 20 0 BFADLO C[C@@H]1COCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000683353210 487642653 /nfs/dbraw/zinc/64/26/53/487642653.db2.gz DDIQMVJLNBWCHJ-GHMZBOCLSA-N 1 2 249.358 2.611 20 0 BFADLO C[C@H]1C[C@@H]1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000488353150 225384301 /nfs/dbraw/zinc/38/43/01/225384301.db2.gz PHJYPYMSQHFQFU-NWDGAFQWSA-N 1 2 227.311 2.940 20 0 BFADLO O=C(C=Cc1c[nH]c[nH+]1)Nc1ccccc1Cl ZINC000492859479 226068124 /nfs/dbraw/zinc/06/81/24/226068124.db2.gz NBIWLESMBPUBSN-AATRIKPKSA-N 1 2 247.685 2.715 20 0 BFADLO Cc1ccc(F)cc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493194352 226151806 /nfs/dbraw/zinc/15/18/06/226151806.db2.gz GQDFKSFLYPBFRC-SNAWJCMRSA-N 1 2 245.257 2.509 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCCc2occc21)C(F)F ZINC000228486531 487657938 /nfs/dbraw/zinc/65/79/38/487657938.db2.gz PXHMQPBYVQEVAU-APPZFPTMSA-N 1 2 215.243 2.900 20 0 BFADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(F)F ZINC000228503513 487667536 /nfs/dbraw/zinc/66/75/36/487667536.db2.gz IQEHYJOOYZTJLN-JGVFFNPUSA-N 1 2 215.243 2.696 20 0 BFADLO Cc1nocc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424191442 229159499 /nfs/dbraw/zinc/15/94/99/229159499.db2.gz HMAYGWBVNZIYKA-UONOGXRCSA-N 1 2 246.285 2.710 20 0 BFADLO CC1(C)CC[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000557750151 322941762 /nfs/dbraw/zinc/94/17/62/322941762.db2.gz CXJDMWUOJJNTSY-NSHDSACASA-N 1 2 242.326 2.643 20 0 BFADLO CCC1(CC)C[N@H+](CC(F)F)CCS1 ZINC000680987957 487686785 /nfs/dbraw/zinc/68/67/85/487686785.db2.gz GORQRLXUGIXGPA-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO CCC1(CC)C[N@@H+](CC(F)F)CCS1 ZINC000680987957 487686788 /nfs/dbraw/zinc/68/67/88/487686788.db2.gz GORQRLXUGIXGPA-UHFFFAOYSA-N 1 2 223.332 2.859 20 0 BFADLO C[C@H]([NH2+]Cc1nccn1C)c1ccccc1Cl ZINC000042224947 487691389 /nfs/dbraw/zinc/69/13/89/487691389.db2.gz INOQOKLWEBOIDE-JTQLQIEISA-N 1 2 249.745 2.924 20 0 BFADLO C[C@H]([NH2+]Cc1cncs1)c1ncccc1F ZINC000527826495 262887628 /nfs/dbraw/zinc/88/76/28/262887628.db2.gz ODMBWFFXGCMCES-QMMMGPOBSA-N 1 2 237.303 2.528 20 0 BFADLO CC(C)=CC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714126 487704178 /nfs/dbraw/zinc/70/41/78/487704178.db2.gz NHLGUABIGOVYHK-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO CC(C)=CC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671714126 487704185 /nfs/dbraw/zinc/70/41/85/487704185.db2.gz NHLGUABIGOVYHK-NXEZZACHSA-N 1 2 237.265 2.604 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000668419777 487722033 /nfs/dbraw/zinc/72/20/33/487722033.db2.gz LOHVGEVHLXVICO-LBPRGKRZSA-N 1 2 244.338 2.721 20 0 BFADLO C[C@H](CNc1cc(NC2CC2)nc[nH+]1)C1CC1 ZINC000665694525 487733509 /nfs/dbraw/zinc/73/35/09/487733509.db2.gz YOCKYGWGQROPSP-SECBINFHSA-N 1 2 232.331 2.509 20 0 BFADLO C[C@H](CNc1cc(NC2CC2)[nH+]cn1)C1CC1 ZINC000665694525 487733515 /nfs/dbraw/zinc/73/35/15/487733515.db2.gz YOCKYGWGQROPSP-SECBINFHSA-N 1 2 232.331 2.509 20 0 BFADLO CC(C)CCN(C)c1cc(NC2CC2)[nH+]cn1 ZINC000665693214 487733582 /nfs/dbraw/zinc/73/35/82/487733582.db2.gz HUJOFYBVKKKNOR-UHFFFAOYSA-N 1 2 234.347 2.533 20 0 BFADLO CC(C)CCN(C)c1cc(NC2CC2)nc[nH+]1 ZINC000665693214 487733589 /nfs/dbraw/zinc/73/35/89/487733589.db2.gz HUJOFYBVKKKNOR-UHFFFAOYSA-N 1 2 234.347 2.533 20 0 BFADLO CCC(CC)(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000675462671 487735915 /nfs/dbraw/zinc/73/59/15/487735915.db2.gz ZUAOZFVEKKPNQP-UHFFFAOYSA-N 1 2 234.343 2.967 20 0 BFADLO C/C=C\C[C@@H](CO)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000681152537 487738175 /nfs/dbraw/zinc/73/81/75/487738175.db2.gz JSYUOYRBOGQASB-GZTOBOFZSA-N 1 2 249.358 2.513 20 0 BFADLO CCc1cc(N[C@@H](C)[C@](C)(OC)C2CC2)nc[nH+]1 ZINC000665745787 487746921 /nfs/dbraw/zinc/74/69/21/487746921.db2.gz KCANAQQDFCQDEH-HZMBPMFUSA-N 1 2 249.358 2.655 20 0 BFADLO C[N@@H+]1CCCc2cc(NCc3cocn3)ccc21 ZINC000192330075 487752718 /nfs/dbraw/zinc/75/27/18/487752718.db2.gz YBKFOCCAWSDRME-UHFFFAOYSA-N 1 2 243.310 2.669 20 0 BFADLO C[N@H+]1CCCc2cc(NCc3cocn3)ccc21 ZINC000192330075 487752724 /nfs/dbraw/zinc/75/27/24/487752724.db2.gz YBKFOCCAWSDRME-UHFFFAOYSA-N 1 2 243.310 2.669 20 0 BFADLO CCc1cc(NCC2(OC)CCCCC2)nc[nH+]1 ZINC000681240841 487757118 /nfs/dbraw/zinc/75/71/18/487757118.db2.gz QGPXVSQKTMMUPM-UHFFFAOYSA-N 1 2 249.358 2.800 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)c(F)c1 ZINC000631158731 487764421 /nfs/dbraw/zinc/76/44/21/487764421.db2.gz YLDYTHNMQZZTHR-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO Cc1ccc(C[NH2+][C@H](C)c2cc(C)on2)o1 ZINC000309864269 487775698 /nfs/dbraw/zinc/77/56/98/487775698.db2.gz NSYCOEXFXUPUPM-SNVBAGLBSA-N 1 2 220.272 2.735 20 0 BFADLO CC[C@H](Cn1c[nH+]c(C(C)(C)C)c1)OC ZINC000865376635 589428802 /nfs/dbraw/zinc/42/88/02/589428802.db2.gz XABAYQIDEAZMNO-SNVBAGLBSA-N 1 2 210.321 2.606 20 0 BFADLO CC1=C(C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000676576334 487876240 /nfs/dbraw/zinc/87/62/40/487876240.db2.gz NPCFOQUQLFDBRS-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1nccs1 ZINC000676715168 487904276 /nfs/dbraw/zinc/90/42/76/487904276.db2.gz TZUURMIPCMFBQK-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1nccs1 ZINC000676715168 487904279 /nfs/dbraw/zinc/90/42/79/487904279.db2.gz TZUURMIPCMFBQK-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO C[C@H](c1ccccc1)[N@@H+]1CCc2cn[nH]c2C1 ZINC000676793664 487928695 /nfs/dbraw/zinc/92/86/95/487928695.db2.gz QBYNYSDTWLNJNM-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO C[C@H](c1ccccc1)[N@H+]1CCc2cn[nH]c2C1 ZINC000676793664 487928700 /nfs/dbraw/zinc/92/87/00/487928700.db2.gz QBYNYSDTWLNJNM-LLVKDONJSA-N 1 2 227.311 2.529 20 0 BFADLO Cc1cccc([C@@H](C)[N@@H+]2CCc3cn[nH]c3C2)c1 ZINC000676792657 487929379 /nfs/dbraw/zinc/92/93/79/487929379.db2.gz FQGLEXSRZQIULX-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1cccc([C@@H](C)[N@H+]2CCc3cn[nH]c3C2)c1 ZINC000676792657 487929382 /nfs/dbraw/zinc/92/93/82/487929382.db2.gz FQGLEXSRZQIULX-GFCCVEGCSA-N 1 2 241.338 2.837 20 0 BFADLO CO[C@@H](C)[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000682416161 487952682 /nfs/dbraw/zinc/95/26/82/487952682.db2.gz ZRURAOQTWBKBEV-UWVGGRQHSA-N 1 2 237.347 2.609 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C)c(C)c[nH+]1 ZINC000560085461 322982689 /nfs/dbraw/zinc/98/26/89/322982689.db2.gz QNNLTYCJEQXIIU-ZWNOBZJWSA-N 1 2 244.338 2.661 20 0 BFADLO Cc1csc(CNc2ccc(N(C)C)c[nH+]2)n1 ZINC000150904845 323002321 /nfs/dbraw/zinc/00/23/21/323002321.db2.gz OORNEXBGHNYJLE-UHFFFAOYSA-N 1 2 248.355 2.525 20 0 BFADLO CCc1cnc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000562050590 323011186 /nfs/dbraw/zinc/01/11/86/323011186.db2.gz YQTBVPNUNPNXMN-SECBINFHSA-N 1 2 244.285 2.714 20 0 BFADLO CCc1cnc(C[N@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000562050590 323011187 /nfs/dbraw/zinc/01/11/87/323011187.db2.gz YQTBVPNUNPNXMN-SECBINFHSA-N 1 2 244.285 2.714 20 0 BFADLO CCCOc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000562522840 323022934 /nfs/dbraw/zinc/02/29/34/323022934.db2.gz YQNUWBGDPLNYIS-UHFFFAOYSA-N 1 2 243.297 2.873 20 0 BFADLO Cc1cc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c(C)c[nH+]1 ZINC000562531361 323023021 /nfs/dbraw/zinc/02/30/21/323023021.db2.gz AVEXTWZAYVCDBT-NHYWBVRUSA-N 1 2 246.354 2.885 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000242988583 323032682 /nfs/dbraw/zinc/03/26/82/323032682.db2.gz HSPJEKKLBXDLIW-RYUDHWBXSA-N 1 2 248.374 2.923 20 0 BFADLO CC[C@H](C)Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000242988583 323032683 /nfs/dbraw/zinc/03/26/83/323032683.db2.gz HSPJEKKLBXDLIW-RYUDHWBXSA-N 1 2 248.374 2.923 20 0 BFADLO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000565243246 323038741 /nfs/dbraw/zinc/03/87/41/323038741.db2.gz BQRBELOCERVXDM-ZJUUUORDSA-N 1 2 248.355 2.653 20 0 BFADLO Cc1c[nH]c(C(C)(C)NC(=O)CC2CCCC2)[nH+]1 ZINC000570168872 323051782 /nfs/dbraw/zinc/05/17/82/323051782.db2.gz OUKJKBFWTRWIMY-UHFFFAOYSA-N 1 2 249.358 2.650 20 0 BFADLO Cc1cccc(C[NH2+][C@H](C)c2cscn2)n1 ZINC000161159428 323075794 /nfs/dbraw/zinc/07/57/94/323075794.db2.gz NQLMUOZNPFSKJW-SNVBAGLBSA-N 1 2 233.340 2.697 20 0 BFADLO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000531490563 323098582 /nfs/dbraw/zinc/09/85/82/323098582.db2.gz QRLNQGICVQLXFJ-JQWIXIFHSA-N 1 2 249.358 2.551 20 0 BFADLO Cc1cc(NC(=O)N(C)[C@H](C)C(C)C)c(C)c[nH+]1 ZINC000534324963 323116671 /nfs/dbraw/zinc/11/66/71/323116671.db2.gz WFPDIARAVLCVFX-GFCCVEGCSA-N 1 2 249.358 2.629 20 0 BFADLO CC[C@@](C)([NH2+]CC[C@@H]1CCCO1)C(F)(F)F ZINC000310030441 323127330 /nfs/dbraw/zinc/12/73/30/323127330.db2.gz QWRDFUAILCLPLO-VHSXEESVSA-N 1 2 239.281 2.876 20 0 BFADLO CCC(CC)(CNc1[nH+]cccc1OC)OC ZINC000310517571 323133068 /nfs/dbraw/zinc/13/30/68/323133068.db2.gz LHWISWDRHBHUGT-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO Cc1nc(C[NH2+][C@@H]2CCCc3occc32)[nH]c1C ZINC000563635653 323133161 /nfs/dbraw/zinc/13/31/61/323133161.db2.gz ISBNNNDCSCYMTB-GFCCVEGCSA-N 1 2 245.326 2.787 20 0 BFADLO Cc1[nH]c(CN[C@@H]2CCCc3occc32)[nH+]c1C ZINC000563635653 323133162 /nfs/dbraw/zinc/13/31/62/323133162.db2.gz ISBNNNDCSCYMTB-GFCCVEGCSA-N 1 2 245.326 2.787 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(C)c[nH+]1 ZINC000535036503 323164321 /nfs/dbraw/zinc/16/43/21/323164321.db2.gz XLPLMDBYTMWSAE-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO Cc1ccc(/C=C/C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000112298386 323168815 /nfs/dbraw/zinc/16/88/15/323168815.db2.gz DBKPRCZASBAQEM-AATRIKPKSA-N 1 2 242.278 2.943 20 0 BFADLO C[C@@H]1C[N@H+](Cc2nnsc2Cl)C(C)(C)C1 ZINC000306176590 323172467 /nfs/dbraw/zinc/17/24/67/323172467.db2.gz WMRKGUOJMQXYHC-ZETCQYMHSA-N 1 2 245.779 2.812 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2nnsc2Cl)C(C)(C)C1 ZINC000306176590 323172468 /nfs/dbraw/zinc/17/24/68/323172468.db2.gz WMRKGUOJMQXYHC-ZETCQYMHSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nnsc1Cl ZINC000307389240 323179722 /nfs/dbraw/zinc/17/97/22/323179722.db2.gz QBBXNWAJEGZKRX-APPZFPTMSA-N 1 2 245.779 2.812 20 0 BFADLO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnsc1Cl ZINC000307389240 323179723 /nfs/dbraw/zinc/17/97/23/323179723.db2.gz QBBXNWAJEGZKRX-APPZFPTMSA-N 1 2 245.779 2.812 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]C/C=C/c2ccccc2)o1 ZINC000563869056 323181706 /nfs/dbraw/zinc/18/17/06/323181706.db2.gz VHTYFZTWLQJKKS-LAHYYIKRSA-N 1 2 243.310 2.742 20 0 BFADLO CC(C)c1nc(N[C@H]2CCC[C@H](F)C2)cc[nH+]1 ZINC000563885826 323183228 /nfs/dbraw/zinc/18/32/28/323183228.db2.gz XPOGOVLYKGXKOX-QWRGUYRKSA-N 1 2 237.322 2.715 20 0 BFADLO Cc1cc(NC(=O)[C@H](C)C(C)(C)C)c(C)c[nH+]1 ZINC000535748838 323190426 /nfs/dbraw/zinc/19/04/26/323190426.db2.gz KSPMOOGIZMBTMF-NSHDSACASA-N 1 2 234.343 2.741 20 0 BFADLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1[C@H](C)C[C@H]1C ZINC000547768807 323344746 /nfs/dbraw/zinc/34/47/46/323344746.db2.gz MTWCFCQNWKWQPP-OPRDCNLKSA-N 1 2 237.347 2.911 20 0 BFADLO C[C@@H](c1ccco1)[N@H+](Cc1ccnn1C)C1CC1 ZINC000130335373 323371934 /nfs/dbraw/zinc/37/19/34/323371934.db2.gz VLAIFPQATCKLJQ-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO C[C@@H](c1ccco1)[N@@H+](Cc1ccnn1C)C1CC1 ZINC000130335373 323371940 /nfs/dbraw/zinc/37/19/40/323371940.db2.gz VLAIFPQATCKLJQ-NSHDSACASA-N 1 2 245.326 2.739 20 0 BFADLO CC1(C)CN(c2[nH+]ccc3ccccc32)CCO1 ZINC000527851143 323707211 /nfs/dbraw/zinc/70/72/11/323707211.db2.gz XQQOQARTUZXLCW-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1ncccc1F ZINC000528036681 323745009 /nfs/dbraw/zinc/74/50/09/323745009.db2.gz XFPGWZIBSYDODH-WPRPVWTQSA-N 1 2 248.305 2.664 20 0 BFADLO CC(C)c1nc(N[C@]23C[C@H]2COC3(C)C)cc[nH+]1 ZINC000528125565 323770268 /nfs/dbraw/zinc/77/02/68/323770268.db2.gz DVZCAAPEOZIMMI-IINYFYTJSA-N 1 2 247.342 2.579 20 0 BFADLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459513273 324147884 /nfs/dbraw/zinc/14/78/84/324147884.db2.gz OVTLXHYGBLWSRU-NSHDSACASA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC000459513273 324147887 /nfs/dbraw/zinc/14/78/87/324147887.db2.gz OVTLXHYGBLWSRU-NSHDSACASA-N 1 2 247.338 2.557 20 0 BFADLO Cc1cc(NC[C@]2(C)CCCO2)nc(C2CC2)[nH+]1 ZINC000152559403 324183636 /nfs/dbraw/zinc/18/36/36/324183636.db2.gz YSJLSQDVKWFHFJ-AWEZNQCLSA-N 1 2 247.342 2.643 20 0 BFADLO CC[C@@H](NC(=O)[C@H]1CCCC12CC2)c1[nH]cc[nH+]1 ZINC000529053235 324239271 /nfs/dbraw/zinc/23/92/71/324239271.db2.gz RZADDHCJJUTBMK-GHMZBOCLSA-N 1 2 247.342 2.557 20 0 BFADLO Cc1cocc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000529498834 324315768 /nfs/dbraw/zinc/31/57/68/324315768.db2.gz TYGICCBXYOQSQX-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO CCC(C)(C)OC1C[NH+](Cc2ccoc2C)C1 ZINC000529642480 324369863 /nfs/dbraw/zinc/36/98/63/324369863.db2.gz SQTJXMRFLHFTQW-UHFFFAOYSA-N 1 2 237.343 2.977 20 0 BFADLO Cc1cnc(C[NH+]2CC(Cc3ccco3)C2)s1 ZINC000529648704 324371484 /nfs/dbraw/zinc/37/14/84/324371484.db2.gz HKLAGGDSKOMLSE-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO Cc1nc(C[NH+]2CC(Cc3ccco3)C2)cs1 ZINC000529651817 324372534 /nfs/dbraw/zinc/37/25/34/324372534.db2.gz LEPFVFJOJOEQBN-UHFFFAOYSA-N 1 2 248.351 2.719 20 0 BFADLO CCCN(CC(F)F)c1cc(CC)[nH+]c(C)n1 ZINC000541078065 324945856 /nfs/dbraw/zinc/94/58/56/324945856.db2.gz GDKPPNGQMUDTQN-UHFFFAOYSA-N 1 2 243.301 2.829 20 0 BFADLO Cc1nc(N2C[C@H](C)C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000542020013 325004590 /nfs/dbraw/zinc/00/45/90/325004590.db2.gz OFOTUBGWZFWYRB-GHMZBOCLSA-N 1 2 245.370 2.899 20 0 BFADLO Cc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)no1 ZINC000542574777 325035218 /nfs/dbraw/zinc/03/52/18/325035218.db2.gz RRJIHMJVXKGIDW-LLVKDONJSA-N 1 2 248.330 2.611 20 0 BFADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(O)c1 ZINC000072709924 325168064 /nfs/dbraw/zinc/16/80/64/325168064.db2.gz DVXIKNCNLWSBKP-UHFFFAOYSA-N 1 2 242.278 2.656 20 0 BFADLO Cc1cc(NC(=O)[C@@H]2CCCC2(C)C)c(C)c[nH+]1 ZINC000547540633 325371602 /nfs/dbraw/zinc/37/16/02/325371602.db2.gz NUKDALYIQJYXPS-LBPRGKRZSA-N 1 2 246.354 2.885 20 0 BFADLO CCC[C@H](C(=O)OCC)[NH+]1Cc2ccccc2C1 ZINC000077283174 325372320 /nfs/dbraw/zinc/37/23/20/325372320.db2.gz ZTOGNIZGWVBHSP-CQSZACIVSA-N 1 2 247.338 2.734 20 0 BFADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000077675871 325388009 /nfs/dbraw/zinc/38/80/09/325388009.db2.gz QUYUSGQDFBGVLS-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000077675871 325388010 /nfs/dbraw/zinc/38/80/10/325388010.db2.gz QUYUSGQDFBGVLS-SNVBAGLBSA-N 1 2 231.299 2.571 20 0 BFADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1cc[nH+]c(C)c1 ZINC000135508357 325415942 /nfs/dbraw/zinc/41/59/42/325415942.db2.gz PUIZVZKCDYZCCW-AAEUAGOBSA-N 1 2 218.300 2.765 20 0 BFADLO COC(=O)c1sccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000548097475 325429594 /nfs/dbraw/zinc/42/95/94/325429594.db2.gz GVVWATBIRUZOKQ-RKDXNWHRSA-N 1 2 239.340 2.517 20 0 BFADLO COc1cccc2c1CC[C@H]2[NH2+]CC(C)(F)F ZINC000551253929 325551798 /nfs/dbraw/zinc/55/17/98/325551798.db2.gz QCIJOVXJAFJWJS-LLVKDONJSA-N 1 2 241.281 2.927 20 0 BFADLO CCc1cc(C[NH2+][C@@H](C)c2nccs2)on1 ZINC000091727605 325688944 /nfs/dbraw/zinc/68/89/44/325688944.db2.gz CTADDBFGXGTLLX-QMMMGPOBSA-N 1 2 237.328 2.544 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1C=CCCC1 ZINC000554387843 325717969 /nfs/dbraw/zinc/71/79/69/325717969.db2.gz UJKUIEHTDFIHOQ-LBPRGKRZSA-N 1 2 245.326 2.929 20 0 BFADLO Cc1nn(C(C)(C)C)c(C)c1CNc1c[nH]c[nH+]1 ZINC000555104914 325746788 /nfs/dbraw/zinc/74/67/88/325746788.db2.gz VPDFFFJCMDFLRR-UHFFFAOYSA-N 1 2 247.346 2.590 20 0 BFADLO CC[C@@H]1CCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000565048015 325850814 /nfs/dbraw/zinc/85/08/14/325850814.db2.gz QLJRZQDWISUJFL-JHJVBQTASA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](CC(=O)N[C@H]1CCCC1(C)C)n1cc[nH+]c1 ZINC000565049210 325851915 /nfs/dbraw/zinc/85/19/15/325851915.db2.gz ZEOXYYPLKZDNGU-NEPJUHHUSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@H](F)C2)[nH+]1 ZINC000565654937 325938721 /nfs/dbraw/zinc/93/87/21/325938721.db2.gz NJDBHZSQNFGAFH-VHSXEESVSA-N 1 2 248.305 2.959 20 0 BFADLO CC[C@H]1CCCC[C@H]1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000566469304 326052876 /nfs/dbraw/zinc/05/28/76/326052876.db2.gz DAVQGTAYANOCIO-GRYCIOLGSA-N 1 2 249.358 2.803 20 0 BFADLO CCc1cc(OC)ccc1CNc1c[nH]c[nH+]1 ZINC000566534875 326062119 /nfs/dbraw/zinc/06/21/19/326062119.db2.gz QWPRHDFYTNWFLN-UHFFFAOYSA-N 1 2 231.299 2.593 20 0 BFADLO CCc1onc(C)c1C(=O)Nc1cc[nH+]c(C)c1 ZINC000153772735 326112386 /nfs/dbraw/zinc/11/23/86/326112386.db2.gz IVJUAAHNOWIQDF-UHFFFAOYSA-N 1 2 245.282 2.501 20 0 BFADLO Fc1ccc2[nH+]c(NCC3(F)CC3)[nH]c2c1 ZINC000309566724 326159863 /nfs/dbraw/zinc/15/98/63/326159863.db2.gz LBSGMFOEWODBSX-UHFFFAOYSA-N 1 2 223.226 2.616 20 0 BFADLO FC(F)(F)[C@@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000309561224 326160841 /nfs/dbraw/zinc/16/08/41/326160841.db2.gz JIQLLBQYAAOHKT-HTQZYQBOSA-N 1 2 233.237 2.943 20 0 BFADLO C[N@@H+](Cc1noc(C2CCCCC2)n1)CC1CC1 ZINC000156232440 326223583 /nfs/dbraw/zinc/22/35/83/326223583.db2.gz IOSVJVVRLPSMDN-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO C[N@H+](Cc1noc(C2CCCCC2)n1)CC1CC1 ZINC000156232440 326223586 /nfs/dbraw/zinc/22/35/86/326223586.db2.gz IOSVJVVRLPSMDN-UHFFFAOYSA-N 1 2 249.358 2.959 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cccc(CC)c1)C(=O)OC ZINC000568034577 326298871 /nfs/dbraw/zinc/29/88/71/326298871.db2.gz YAXWCRUROJKBNM-CQSZACIVSA-N 1 2 249.354 2.680 20 0 BFADLO COc1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)ccn1 ZINC000568239715 326332748 /nfs/dbraw/zinc/33/27/48/326332748.db2.gz RJTFAKJMJPQJJJ-DTWKUNHWSA-N 1 2 244.285 2.785 20 0 BFADLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccsc1 ZINC000158764794 326343105 /nfs/dbraw/zinc/34/31/05/326343105.db2.gz IHQCXXOVVMCNPS-ONEGZZNKSA-N 1 2 247.323 2.616 20 0 BFADLO COCc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000568414595 326356401 /nfs/dbraw/zinc/35/64/01/326356401.db2.gz PJVHTXJTYUVCCS-UHFFFAOYSA-N 1 2 245.326 2.785 20 0 BFADLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(F)cc2C)o1 ZINC000568803625 326377966 /nfs/dbraw/zinc/37/79/66/326377966.db2.gz YWFCJXCNYUIXKY-VIFPVBQESA-N 1 2 249.289 2.676 20 0 BFADLO Cc1cc(NCc2ccc([C@@H]3C[C@H]3C)o2)nc[nH+]1 ZINC000569207413 326395205 /nfs/dbraw/zinc/39/52/05/326395205.db2.gz JAZWVTPYNSHYGR-BXKDBHETSA-N 1 2 243.310 2.535 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)c1ccoc1)C(F)F ZINC000572952236 326420442 /nfs/dbraw/zinc/42/04/42/326420442.db2.gz SIGIMRAPDOXNNK-VXNVDRBHSA-N 1 2 203.232 2.974 20 0 BFADLO CC1=C(C)C[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)CC1 ZINC000573106925 326430051 /nfs/dbraw/zinc/43/00/51/326430051.db2.gz PCDWYUHXMGIQIR-VXGBXAGGSA-N 1 2 247.342 2.723 20 0 BFADLO Cc1cc(N2CC(C(C)C)C2)nc(C2CC2)[nH+]1 ZINC000677126196 487977383 /nfs/dbraw/zinc/97/73/83/487977383.db2.gz SUHHPTDWDHMHMT-UHFFFAOYSA-N 1 2 231.343 2.755 20 0 BFADLO O[C@@H]1C[N@H+](CCCC2CCCC2)CC(F)(F)C1 ZINC000682549280 487984032 /nfs/dbraw/zinc/98/40/32/487984032.db2.gz WIGNHAYXKJZYJJ-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO O[C@@H]1C[N@@H+](CCCC2CCCC2)CC(F)(F)C1 ZINC000682549280 487984043 /nfs/dbraw/zinc/98/40/43/487984043.db2.gz WIGNHAYXKJZYJJ-LBPRGKRZSA-N 1 2 247.329 2.659 20 0 BFADLO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(F)F ZINC000147265242 487989471 /nfs/dbraw/zinc/98/94/71/487989471.db2.gz WQMGEOKPBHBULT-SECBINFHSA-N 1 2 229.270 2.919 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)C(F)F ZINC000682671961 488009441 /nfs/dbraw/zinc/00/94/41/488009441.db2.gz QEJGGYUQZNAREV-MNOVXSKESA-N 1 2 240.297 2.509 20 0 BFADLO CCc1[nH+]c(C)ccc1OCc1ccno1 ZINC000682709074 488024433 /nfs/dbraw/zinc/02/44/33/488024433.db2.gz VJHYVPDKYOLZPT-UHFFFAOYSA-N 1 2 218.256 2.519 20 0 BFADLO Fc1ccc(C[NH+]2CCSCC2)c(F)c1F ZINC000667495126 488027055 /nfs/dbraw/zinc/02/70/55/488027055.db2.gz YCFAUWNZTKOEAE-UHFFFAOYSA-N 1 2 247.285 2.653 20 0 BFADLO CCCn1nccc1C[N@H+](C)Cc1ccoc1 ZINC000667545061 488041713 /nfs/dbraw/zinc/04/17/13/488041713.db2.gz WKIHSFJTGZNHIR-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO CCCn1nccc1C[N@@H+](C)Cc1ccoc1 ZINC000667545061 488041719 /nfs/dbraw/zinc/04/17/19/488041719.db2.gz WKIHSFJTGZNHIR-UHFFFAOYSA-N 1 2 233.315 2.518 20 0 BFADLO c1snnc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000123668235 488074841 /nfs/dbraw/zinc/07/48/41/488074841.db2.gz NSCSCIDAIWPTDQ-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO c1snnc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000123668235 488074843 /nfs/dbraw/zinc/07/48/43/488074843.db2.gz NSCSCIDAIWPTDQ-CYBMUJFWSA-N 1 2 245.351 2.875 20 0 BFADLO CSc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000670087670 488077089 /nfs/dbraw/zinc/07/70/89/488077089.db2.gz MDYGTNPWJNPZRY-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO CSc1ccc(C[N@H+]2CCC(=O)[C@@H](C)C2)cc1 ZINC000670087670 488077092 /nfs/dbraw/zinc/07/70/92/488077092.db2.gz MDYGTNPWJNPZRY-NSHDSACASA-N 1 2 249.379 2.819 20 0 BFADLO Cc1ccnc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000683017713 488093436 /nfs/dbraw/zinc/09/34/36/488093436.db2.gz QPHIWXNISBTCRC-UHFFFAOYSA-N 1 2 247.367 2.871 20 0 BFADLO CCc1cnc(C[N@@H+](C)Cc2ccn(CC)c2)o1 ZINC000683031468 488101750 /nfs/dbraw/zinc/10/17/50/488101750.db2.gz XENGOLIFECPCRJ-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO CCc1cnc(C[N@H+](C)Cc2ccn(CC)c2)o1 ZINC000683031468 488101752 /nfs/dbraw/zinc/10/17/52/488101752.db2.gz XENGOLIFECPCRJ-UHFFFAOYSA-N 1 2 247.342 2.690 20 0 BFADLO CC[N@H+](C[C@H](C)CO)c1cc(C)cc(C)c1 ZINC000121323655 490081992 /nfs/dbraw/zinc/08/19/92/490081992.db2.gz WCVDXOZEANSUCD-ZDUSSCGKSA-N 1 2 221.344 2.758 20 0 BFADLO CC[N@@H+](C[C@H](C)CO)c1cc(C)cc(C)c1 ZINC000121323655 490081994 /nfs/dbraw/zinc/08/19/94/490081994.db2.gz WCVDXOZEANSUCD-ZDUSSCGKSA-N 1 2 221.344 2.758 20 0 BFADLO Fc1ccc(C[NH+]2CC3(CC3)C2)cc1F ZINC000334741736 487553254 /nfs/dbraw/zinc/55/32/54/487553254.db2.gz GLHRNHOLLSHJSI-UHFFFAOYSA-N 1 2 209.239 2.561 20 0 BFADLO COC[C@@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000679905137 487482853 /nfs/dbraw/zinc/48/28/53/487482853.db2.gz MVHUASHFDTYWGX-OAHLLOKOSA-N 1 2 246.354 2.797 20 0 BFADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccno2)c1 ZINC000674009893 487497889 /nfs/dbraw/zinc/49/78/89/487497889.db2.gz MZNWSOHHUVBDKD-CYBMUJFWSA-N 1 2 232.258 2.761 20 0 BFADLO Fc1cccc([C@H]2CC[N@H+]2Cc2ccno2)c1 ZINC000674009893 487497893 /nfs/dbraw/zinc/49/78/93/487497893.db2.gz MZNWSOHHUVBDKD-CYBMUJFWSA-N 1 2 232.258 2.761 20 0 BFADLO Cc1nc(C)c(CNc2cc[nH+]c(C(C)C)n2)o1 ZINC000685262128 487506362 /nfs/dbraw/zinc/50/63/62/487506362.db2.gz MELJLUWSJFWNSE-UHFFFAOYSA-N 1 2 246.314 2.817 20 0 BFADLO COc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)[nH+]c1 ZINC000666120347 487503875 /nfs/dbraw/zinc/50/38/75/487503875.db2.gz PXXDJQOEKPKXOQ-FXPVBKGRSA-N 1 2 206.289 2.547 20 0 BFADLO COc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)[nH+]c1 ZINC000666120351 487504314 /nfs/dbraw/zinc/50/43/14/487504314.db2.gz PXXDJQOEKPKXOQ-IQJOONFLSA-N 1 2 206.289 2.547 20 0 BFADLO COCCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674064284 487507279 /nfs/dbraw/zinc/50/72/79/487507279.db2.gz IHIYFKQULVWLTO-UHFFFAOYSA-N 1 2 237.347 2.613 20 0 BFADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)[C@@H]1CCOC1 ZINC000674065749 487507503 /nfs/dbraw/zinc/50/75/03/487507503.db2.gz GODHEZXPSIKWQH-GHMZBOCLSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)(C)c1nc(NCC2CCOCC2)cc[nH+]1 ZINC000674064815 487507521 /nfs/dbraw/zinc/50/75/21/487507521.db2.gz ZTBLESVAWCHHFX-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)C1CCCC1 ZINC000674090636 487516965 /nfs/dbraw/zinc/51/69/65/487516965.db2.gz OVACFODANHMYKO-LLVKDONJSA-N 1 2 232.327 2.577 20 0 BFADLO C[C@@H](NC(=O)CC1CCCCC1)c1[nH]cc[nH+]1 ZINC000140890162 487521720 /nfs/dbraw/zinc/52/17/20/487521720.db2.gz CTGWWRWVIBHMAV-SNVBAGLBSA-N 1 2 235.331 2.557 20 0 BFADLO c1[nH]cc(NCCCCOc2ccccc2)[nH+]1 ZINC000685845714 487586224 /nfs/dbraw/zinc/58/62/24/487586224.db2.gz CEEQESGQMVJDPR-UHFFFAOYSA-N 1 2 231.299 2.681 20 0 BFADLO c1cc2cc(C[NH2+]Cc3cocn3)ccc2o1 ZINC000671708663 487700356 /nfs/dbraw/zinc/70/03/56/487700356.db2.gz ZKAFEYYJGGALSQ-UHFFFAOYSA-N 1 2 228.251 2.711 20 0 BFADLO Cc1ccc(C[NH2+][C@@H](C)c2nccnc2C)o1 ZINC000235526866 488138036 /nfs/dbraw/zinc/13/80/36/488138036.db2.gz HYZKOOSWBHOFEI-NSHDSACASA-N 1 2 231.299 2.537 20 0 BFADLO c1cc2[nH+]ccc(N3CCC4(CC4)C3)c2cn1 ZINC000685918932 488148841 /nfs/dbraw/zinc/14/88/41/488148841.db2.gz VKOLIEWJWOROET-UHFFFAOYSA-N 1 2 225.295 2.620 20 0 BFADLO COC1(C)C[NH+](Cc2cc3ccncc3s2)C1 ZINC000668173587 488213913 /nfs/dbraw/zinc/21/39/13/488213913.db2.gz MGWYTGNPVNKNSI-UHFFFAOYSA-N 1 2 248.351 2.517 20 0 BFADLO Cc1cnc(C[NH2+][C@H]2CCc3c2cccc3F)o1 ZINC000231639221 488218518 /nfs/dbraw/zinc/21/85/18/488218518.db2.gz ZKSQAZBUULKDLK-ZDUSSCGKSA-N 1 2 246.285 2.899 20 0 BFADLO CCc1ccccc1C[NH2+]Cc1ncc(C)o1 ZINC000231640415 488218659 /nfs/dbraw/zinc/21/86/59/488218659.db2.gz WUWJJADJBZDGFJ-UHFFFAOYSA-N 1 2 230.311 2.835 20 0 BFADLO CCc1cc(N[C@@H](CC)C2CC2)nc[nH+]1 ZINC000323767159 488221021 /nfs/dbraw/zinc/22/10/21/488221021.db2.gz WPOSTGRYMMMLGY-NSHDSACASA-N 1 2 205.305 2.640 20 0 BFADLO C[C@H]1COCCC[N@@H+]1Cc1c(F)cccc1F ZINC000678272293 488233978 /nfs/dbraw/zinc/23/39/78/488233978.db2.gz DHFGZOFLJZAYTH-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]1COCCC[N@H+]1Cc1c(F)cccc1F ZINC000678272293 488233980 /nfs/dbraw/zinc/23/39/80/488233980.db2.gz DHFGZOFLJZAYTH-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO Cc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1C ZINC000678275815 488235819 /nfs/dbraw/zinc/23/58/19/488235819.db2.gz DDZJATBFKKGZHR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1C ZINC000678275815 488235820 /nfs/dbraw/zinc/23/58/20/488235820.db2.gz DDZJATBFKKGZHR-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO c1cc2cc(NCc3cccnc3)[nH+]cc2[nH]1 ZINC000683893419 488238261 /nfs/dbraw/zinc/23/82/61/488238261.db2.gz SVCBMGRKJCVPDO-UHFFFAOYSA-N 1 2 224.267 2.570 20 0 BFADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)CCO1 ZINC000678312116 488239819 /nfs/dbraw/zinc/23/98/19/488239819.db2.gz QIZVVKAPQSMWRC-MNOVXSKESA-N 1 2 249.358 2.754 20 0 BFADLO OCC1(CNc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000678312918 488239975 /nfs/dbraw/zinc/23/99/75/488239975.db2.gz OXUBRHLJGZZTQB-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO Cc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)no1 ZINC000683927620 488246379 /nfs/dbraw/zinc/24/63/79/488246379.db2.gz ZAIFEGROKLKOTH-UHFFFAOYSA-N 1 2 241.294 2.754 20 0 BFADLO COc1ccc(N[C@H]2CCOC3(CCC3)C2)[nH+]c1 ZINC000672239968 488246874 /nfs/dbraw/zinc/24/68/74/488246874.db2.gz FIUSWDWWLOOMGC-NSHDSACASA-N 1 2 248.326 2.604 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CC=CC1 ZINC000672760812 488265767 /nfs/dbraw/zinc/26/57/67/488265767.db2.gz OPGPBSDIZXHURQ-UHFFFAOYSA-N 1 2 231.299 2.539 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)C1CC1 ZINC000672760415 488265775 /nfs/dbraw/zinc/26/57/75/488265775.db2.gz QBKMQJSDEWSHSP-SNVBAGLBSA-N 1 2 247.342 2.866 20 0 BFADLO CC(C)(C)c1cnc(C[N@H+]2CC=CCC2)o1 ZINC000679321896 488334680 /nfs/dbraw/zinc/33/46/80/488334680.db2.gz NICXHBAXROUYGS-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO CC(C)(C)c1cnc(C[N@@H+]2CC=CCC2)o1 ZINC000679321896 488334684 /nfs/dbraw/zinc/33/46/84/488334684.db2.gz NICXHBAXROUYGS-UHFFFAOYSA-N 1 2 220.316 2.734 20 0 BFADLO FC(F)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000678775155 488282314 /nfs/dbraw/zinc/28/23/14/488282314.db2.gz KAOTWEPKJLHEIP-YPMHNXCESA-N 1 2 241.281 2.619 20 0 BFADLO CN(Cc1ccccc1)c1cc[nH+]cc1F ZINC000678787037 488282972 /nfs/dbraw/zinc/28/29/72/488282972.db2.gz WRNQKDNDJDHUDW-UHFFFAOYSA-N 1 2 216.259 2.857 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1nc2c(s1)CCC2 ZINC000678819130 488287369 /nfs/dbraw/zinc/28/73/69/488287369.db2.gz ORIQFOCAEVOQCE-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1nc2c(s1)CCC2 ZINC000678819130 488287371 /nfs/dbraw/zinc/28/73/71/488287371.db2.gz ORIQFOCAEVOQCE-UHFFFAOYSA-N 1 2 248.351 2.857 20 0 BFADLO Cc1ccc(NC(=O)C[N@H+]2CC=CCC2)c(C)c1 ZINC000679322584 488336407 /nfs/dbraw/zinc/33/64/07/488336407.db2.gz CICAWABGHLDODP-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO Cc1ccc(NC(=O)C[N@@H+]2CC=CCC2)c(C)c1 ZINC000679322584 488336408 /nfs/dbraw/zinc/33/64/08/488336408.db2.gz CICAWABGHLDODP-UHFFFAOYSA-N 1 2 244.338 2.504 20 0 BFADLO CCc1cccc(F)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000684360812 488300587 /nfs/dbraw/zinc/30/05/87/488300587.db2.gz MHOJQXNGKBRTHS-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CCc1cccc(F)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000684360812 488300588 /nfs/dbraw/zinc/30/05/88/488300588.db2.gz MHOJQXNGKBRTHS-UHFFFAOYSA-N 1 2 247.317 2.743 20 0 BFADLO CO[C@H](C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000679004674 488302340 /nfs/dbraw/zinc/30/23/40/488302340.db2.gz DNHXBKXIEVVZNB-VXGBXAGGSA-N 1 2 249.358 2.517 20 0 BFADLO Cc1ccc([C@H](C)[NH2+]Cc2cocn2)c(C)n1 ZINC000679048435 488305046 /nfs/dbraw/zinc/30/50/46/488305046.db2.gz OPAGOVVCHSKHLW-JTQLQIEISA-N 1 2 231.299 2.537 20 0 BFADLO CCC[C@@H]([NH2+]Cc1cocn1)c1ccccn1 ZINC000679048421 488305076 /nfs/dbraw/zinc/30/50/76/488305076.db2.gz ONXYHDCWNAMLAA-GFCCVEGCSA-N 1 2 231.299 2.701 20 0 BFADLO CC(C)n1nccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000684392897 488305348 /nfs/dbraw/zinc/30/53/48/488305348.db2.gz SJXCXIIQTUSWAF-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CC(C)n1nccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000684392897 488305350 /nfs/dbraw/zinc/30/53/50/488305350.db2.gz SJXCXIIQTUSWAF-DGCLKSJQSA-N 1 2 239.338 2.644 20 0 BFADLO CCCc1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679323568 488336945 /nfs/dbraw/zinc/33/69/45/488336945.db2.gz CLRWOYSSWNGSOR-UHFFFAOYSA-N 1 2 222.357 2.858 20 0 BFADLO CCCc1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679323568 488336946 /nfs/dbraw/zinc/33/69/46/488336946.db2.gz CLRWOYSSWNGSOR-UHFFFAOYSA-N 1 2 222.357 2.858 20 0 BFADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1F ZINC000679191618 488315906 /nfs/dbraw/zinc/31/59/06/488315906.db2.gz IAJDAUQUQNPFAM-VHSXEESVSA-N 1 2 233.290 2.747 20 0 BFADLO COc1cccc([C@@H](C)[N@H+](C)Cc2cnc[nH]2)c1 ZINC000684617807 488332586 /nfs/dbraw/zinc/33/25/86/488332586.db2.gz WPZOIRAQFIEZFG-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO COc1cccc([C@@H](C)[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000684617807 488332587 /nfs/dbraw/zinc/33/25/87/488332587.db2.gz WPZOIRAQFIEZFG-LLVKDONJSA-N 1 2 245.326 2.611 20 0 BFADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000679351107 488343004 /nfs/dbraw/zinc/34/30/04/488343004.db2.gz JDWZKURPVCKTPY-QWRGUYRKSA-N 1 2 244.342 2.833 20 0 BFADLO Cc1ccccc1[N@H+](C[C@H](C)CO)C(C)C ZINC000121389403 490084408 /nfs/dbraw/zinc/08/44/08/490084408.db2.gz BHFQOMGDIFCYEO-LBPRGKRZSA-N 1 2 221.344 2.838 20 0 BFADLO Cc1ccccc1[N@@H+](C[C@H](C)CO)C(C)C ZINC000121389403 490084410 /nfs/dbraw/zinc/08/44/10/490084410.db2.gz BHFQOMGDIFCYEO-LBPRGKRZSA-N 1 2 221.344 2.838 20 0 BFADLO Cc1nc(C[N@@H+](C)Cc2ccoc2C)co1 ZINC000659854679 490096897 /nfs/dbraw/zinc/09/68/97/490096897.db2.gz YQCWBULXQRMHNH-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO Cc1nc(C[N@H+](C)Cc2ccoc2C)co1 ZINC000659854679 490096906 /nfs/dbraw/zinc/09/69/06/490096906.db2.gz YQCWBULXQRMHNH-UHFFFAOYSA-N 1 2 220.272 2.516 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1cscn1 ZINC000590622518 490111297 /nfs/dbraw/zinc/11/12/97/490111297.db2.gz VBMKJVVIHULYHN-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1cscn1 ZINC000590622518 490111299 /nfs/dbraw/zinc/11/12/99/490111299.db2.gz VBMKJVVIHULYHN-UHFFFAOYSA-N 1 2 238.278 2.917 20 0 BFADLO FC(F)[C@H]1CCC[N@@H+]1Cc1cccs1 ZINC000334463972 490123257 /nfs/dbraw/zinc/12/32/57/490123257.db2.gz BBIPPXZIOOTYFD-SECBINFHSA-N 1 2 217.284 2.978 20 0 BFADLO FC(F)[C@H]1CCC[N@H+]1Cc1cccs1 ZINC000334463972 490123263 /nfs/dbraw/zinc/12/32/63/490123263.db2.gz BBIPPXZIOOTYFD-SECBINFHSA-N 1 2 217.284 2.978 20 0 BFADLO CSc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1 ZINC000054764505 490178551 /nfs/dbraw/zinc/17/85/51/490178551.db2.gz SHXHOGGFPWBRLH-JTQLQIEISA-N 1 2 247.367 2.982 20 0 BFADLO CCCC[C@H](C)N(C)c1cc(CO)cc[nH+]1 ZINC000390602450 490282315 /nfs/dbraw/zinc/28/23/15/490282315.db2.gz WNPVUVBYNKIQRT-NSHDSACASA-N 1 2 222.332 2.589 20 0 BFADLO C[C@@H](CO)C[N@H+](CC1CC1)c1ccccc1 ZINC000121488754 490478793 /nfs/dbraw/zinc/47/87/93/490478793.db2.gz NMZIMIKUQDSYTB-GFCCVEGCSA-N 1 2 219.328 2.531 20 0 BFADLO C[C@@H](CO)C[N@@H+](CC1CC1)c1ccccc1 ZINC000121488754 490478800 /nfs/dbraw/zinc/47/88/00/490478800.db2.gz NMZIMIKUQDSYTB-GFCCVEGCSA-N 1 2 219.328 2.531 20 0 BFADLO c1ccc(CNc2cc[nH+]c3ccncc23)nc1 ZINC000085652515 490566637 /nfs/dbraw/zinc/56/66/37/490566637.db2.gz ZHTYYGBHVQVLBD-UHFFFAOYSA-N 1 2 236.278 2.637 20 0 BFADLO Cc1cnc(C[NH2+]Cc2cccc(Cl)c2)o1 ZINC000227083919 491054827 /nfs/dbraw/zinc/05/48/27/491054827.db2.gz PNQZCSDUJLWYSW-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)o1 ZINC000228563366 491095901 /nfs/dbraw/zinc/09/59/01/491095901.db2.gz HHVQOIOUONKHGX-WDEREUQCSA-N 1 2 231.299 2.790 20 0 BFADLO CC(C)c1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000660611035 491101728 /nfs/dbraw/zinc/10/17/28/491101728.db2.gz OACZSPXFPQRKPK-LSDHHAIUSA-N 1 2 231.339 2.783 20 0 BFADLO CC(C)c1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1 ZINC000660611035 491101731 /nfs/dbraw/zinc/10/17/31/491101731.db2.gz OACZSPXFPQRKPK-LSDHHAIUSA-N 1 2 231.339 2.783 20 0 BFADLO CC(C)c1cccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000660611032 491101785 /nfs/dbraw/zinc/10/17/85/491101785.db2.gz OACZSPXFPQRKPK-CABCVRRESA-N 1 2 231.339 2.783 20 0 BFADLO CC(C)c1cccc(C[N@H+]2CCO[C@H]3C[C@H]32)c1 ZINC000660611032 491101787 /nfs/dbraw/zinc/10/17/87/491101787.db2.gz OACZSPXFPQRKPK-CABCVRRESA-N 1 2 231.339 2.783 20 0 BFADLO CCCc1[nH+]c2ccccc2n1[C@H](C)[C@@H](C)O ZINC000122914619 491116730 /nfs/dbraw/zinc/11/67/30/491116730.db2.gz VKXIXRGIRDESGO-GHMZBOCLSA-N 1 2 232.327 2.931 20 0 BFADLO CCc1cc(NC[C@H](C)c2nccs2)nc[nH+]1 ZINC000230609963 491130395 /nfs/dbraw/zinc/13/03/95/491130395.db2.gz QSIOBHPUYYVCNR-VIFPVBQESA-N 1 2 248.355 2.711 20 0 BFADLO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ncc[nH]1 ZINC000139101070 491130404 /nfs/dbraw/zinc/13/04/04/491130404.db2.gz JJKOGLLXBRPBNP-GXSJLCMTSA-N 1 2 245.351 2.907 20 0 BFADLO CCCc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000309629892 491153120 /nfs/dbraw/zinc/15/31/20/491153120.db2.gz HMENUTHASKYQHM-UHFFFAOYSA-N 1 2 215.300 2.974 20 0 BFADLO Cc1cc([C@@H](C)[NH2+]Cc2ccoc2C)no1 ZINC000309804875 491156835 /nfs/dbraw/zinc/15/68/35/491156835.db2.gz RWCVCLOGTBIOIC-SECBINFHSA-N 1 2 220.272 2.735 20 0 BFADLO C[C@H]1COC(C)(C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000487113532 534021459 /nfs/dbraw/zinc/02/14/59/534021459.db2.gz MEOCXXDVLBEQFO-JTQLQIEISA-N 1 2 245.326 2.567 20 0 BFADLO Cc1cc(NCC2CC2)nc(C2CCC2)[nH+]1 ZINC000891678332 582709191 /nfs/dbraw/zinc/70/91/91/582709191.db2.gz QVUPNSBFUBRYDO-UHFFFAOYSA-N 1 2 217.316 2.874 20 0 BFADLO CN(CCC1CC1)c1[nH+]c2ccccc2n1C ZINC000342795923 536320700 /nfs/dbraw/zinc/32/07/00/536320700.db2.gz HYWKEHGJIKHRQH-UHFFFAOYSA-N 1 2 229.327 2.810 20 0 BFADLO COc1ccccc1C[NH2+]Cc1ncc(C)s1 ZINC000022864608 524486907 /nfs/dbraw/zinc/48/69/07/524486907.db2.gz RHXHBVHELFQWGV-UHFFFAOYSA-N 1 2 248.351 2.750 20 0 BFADLO CC(C)c1nc(N2CC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000175058740 534910529 /nfs/dbraw/zinc/91/05/29/534910529.db2.gz CJWLTTRVGPFPPH-GHMZBOCLSA-N 1 2 219.332 2.835 20 0 BFADLO CC(C)=CCC[C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493784212 527421315 /nfs/dbraw/zinc/42/13/15/527421315.db2.gz HTEDMVDHATXSLB-KRZKBDHCSA-N 1 2 247.342 2.674 20 0 BFADLO C/C=C(/C=C/C(=O)NC1=[NH+]C[C@H](C)S1)CC ZINC000493087394 527550225 /nfs/dbraw/zinc/55/02/25/527550225.db2.gz QDGYUTULAOHALP-YTWQDWHCSA-N 1 2 238.356 2.506 20 0 BFADLO CC(C)(C)/C=C/C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000493145126 527551220 /nfs/dbraw/zinc/55/12/20/527551220.db2.gz CORSXGWDKHYEEJ-BQYQJAHWSA-N 1 2 247.342 2.760 20 0 BFADLO CC(C)C1CC([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000488343526 527627645 /nfs/dbraw/zinc/62/76/45/527627645.db2.gz YTWAHQQSFMPLAL-UNXYVOJBSA-N 1 2 241.375 2.741 20 0 BFADLO CC(C)CC(C)(C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493118433 527675794 /nfs/dbraw/zinc/67/57/94/527675794.db2.gz MTRDGUFSOQUIRK-WAYWQWQTSA-N 1 2 249.358 2.611 20 0 BFADLO CC(C)C[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000494871232 528067253 /nfs/dbraw/zinc/06/72/53/528067253.db2.gz AIRYMESKIMAUGT-GFCCVEGCSA-N 1 2 236.363 2.672 20 0 BFADLO CCCCC[C@@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493650696 528252995 /nfs/dbraw/zinc/25/29/95/528252995.db2.gz CRIYVVSFGRKABL-WSKFYRRCSA-N 1 2 235.331 2.508 20 0 BFADLO CCCC[C@@H](CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493239537 528775207 /nfs/dbraw/zinc/77/52/07/528775207.db2.gz MUTLGDXXMATXCZ-QDZRJHCZSA-N 1 2 249.358 2.756 20 0 BFADLO CCCC[C@@H](CCC)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493729868 528788250 /nfs/dbraw/zinc/78/82/50/528788250.db2.gz WSQLRINHJNQCCA-JLVNDZCYSA-N 1 2 249.358 2.898 20 0 BFADLO CCC(CC)[NH+]=c1[nH]c2c(cccc2F)n1C ZINC000478281248 528789001 /nfs/dbraw/zinc/78/90/01/528789001.db2.gz XNNICBWXNBZDEV-UHFFFAOYSA-N 1 2 235.306 2.735 20 0 BFADLO CCCC[C@H](CC)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493239536 528906926 /nfs/dbraw/zinc/90/69/26/528906926.db2.gz MUTLGDXXMATXCZ-KRZKBDHCSA-N 1 2 249.358 2.756 20 0 BFADLO CC1(C)CCC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493579898 528955861 /nfs/dbraw/zinc/95/58/61/528955861.db2.gz BQLFOQGOWPTSKJ-MVIFTORASA-N 1 2 247.342 2.508 20 0 BFADLO CCC1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCCC1 ZINC000493258532 529118493 /nfs/dbraw/zinc/11/84/93/529118493.db2.gz HSSHCJBAANDNMV-AATRIKPKSA-N 1 2 247.342 2.510 20 0 BFADLO CCc1cccc(NC(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000492858203 529177239 /nfs/dbraw/zinc/17/72/39/529177239.db2.gz FIJCJAFECMFHCP-VOTSOKGWSA-N 1 2 241.294 2.624 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492857395 529280520 /nfs/dbraw/zinc/28/05/20/529280520.db2.gz KFHWPYANLSZGLC-RHZMEEDWSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@@H]1CCC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493680427 529313251 /nfs/dbraw/zinc/31/32/51/529313251.db2.gz YNIJVWMTLSLBDX-JIVBQCDMSA-N 1 2 247.342 2.508 20 0 BFADLO CC[C@H](CNc1cc[nH+]c(C)n1)CC(F)(F)F ZINC000402710476 529337184 /nfs/dbraw/zinc/33/71/84/529337184.db2.gz UKXGACVENAIXOR-VIFPVBQESA-N 1 2 247.264 2.597 20 0 BFADLO CC(C)c1nnc(C[N@@H+]2CCC[C@H](C)C2)s1 ZINC000336189922 534972137 /nfs/dbraw/zinc/97/21/37/534972137.db2.gz WKAGYIYWXZHIME-JTQLQIEISA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nnc(C[N@H+]2CCC[C@H](C)C2)s1 ZINC000336189922 534972143 /nfs/dbraw/zinc/97/21/43/534972143.db2.gz WKAGYIYWXZHIME-JTQLQIEISA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)(O)CNc1[nH+]ccc2ccc(F)cc21 ZINC000334373380 535313467 /nfs/dbraw/zinc/31/34/67/535313467.db2.gz ZVZZMJGKQOBVNT-UHFFFAOYSA-N 1 2 234.274 2.557 20 0 BFADLO CC1(C)CC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336192466 535318087 /nfs/dbraw/zinc/31/80/87/535318087.db2.gz LRIWXHPISCPSPM-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO CC1(C)CC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000336192466 535318092 /nfs/dbraw/zinc/31/80/92/535318092.db2.gz LRIWXHPISCPSPM-UHFFFAOYSA-N 1 2 237.372 2.647 20 0 BFADLO CCC[C@@H]1CCCC[N@@H+]1Cc1noc(CC)n1 ZINC000179521339 535411469 /nfs/dbraw/zinc/41/14/69/535411469.db2.gz GGSVEASGOOSAOG-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CCC[C@@H]1CCCC[N@H+]1Cc1noc(CC)n1 ZINC000179521339 535411474 /nfs/dbraw/zinc/41/14/74/535411474.db2.gz GGSVEASGOOSAOG-LLVKDONJSA-N 1 2 237.347 2.787 20 0 BFADLO CC[C@H]([NH2+]Cc1nnc(C)o1)c1ccc(C)cc1 ZINC000181069821 535923451 /nfs/dbraw/zinc/92/34/51/535923451.db2.gz QTTDMDYVEWTAEZ-ZDUSSCGKSA-N 1 2 245.326 2.927 20 0 BFADLO CCc1cnc(C[N@@H+]2CCS[C@H](C)C2)s1 ZINC000335991758 536037760 /nfs/dbraw/zinc/03/77/60/536037760.db2.gz TWQWITPVAKXNLH-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CCc1cnc(C[N@H+]2CCS[C@H](C)C2)s1 ZINC000335991758 536037762 /nfs/dbraw/zinc/03/77/62/536037762.db2.gz TWQWITPVAKXNLH-SECBINFHSA-N 1 2 242.413 2.643 20 0 BFADLO CC[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301478255 536040117 /nfs/dbraw/zinc/04/01/17/536040117.db2.gz URKZJTAMZRKPMJ-ZDUSSCGKSA-N 1 2 219.332 2.802 20 0 BFADLO COc1ccc(NC2Cc3ccccc3C2)[nH+]c1 ZINC000225836775 538114319 /nfs/dbraw/zinc/11/43/19/538114319.db2.gz GYFVJJKFHLNFLR-UHFFFAOYSA-N 1 2 240.306 2.670 20 0 BFADLO COc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000085300117 538116524 /nfs/dbraw/zinc/11/65/24/538116524.db2.gz HLLUCNDDTJYZGN-MRVPVSSYSA-N 1 2 215.243 2.611 20 0 BFADLO Cc1cnc(C[NH2+][C@@H](C)c2ccsc2)o1 ZINC000231639032 566312843 /nfs/dbraw/zinc/31/28/43/566312843.db2.gz PFJSMAUUKBOOPB-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO CC[C@H](C)NC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000668149959 566392376 /nfs/dbraw/zinc/39/23/76/566392376.db2.gz ICGJBVVCGLRGNR-VIFPVBQESA-N 1 2 246.314 2.563 20 0 BFADLO CC[C@H](C)C[N@H+](C)Cn1nc(C)sc1=S ZINC000111165379 588725395 /nfs/dbraw/zinc/72/53/95/588725395.db2.gz TZOJVCKTPIEQOM-QMMMGPOBSA-N 1 2 245.417 2.918 20 0 BFADLO CC[C@H](C)C[N@@H+](C)Cn1nc(C)sc1=S ZINC000111165379 588725396 /nfs/dbraw/zinc/72/53/96/588725396.db2.gz TZOJVCKTPIEQOM-QMMMGPOBSA-N 1 2 245.417 2.918 20 0 BFADLO CCOc1ccc([NH2+]C[C@H]2CCCOC2)cc1 ZINC000111317546 588741551 /nfs/dbraw/zinc/74/15/51/588741551.db2.gz RDZSSVPXQKRMGT-GFCCVEGCSA-N 1 2 235.327 2.924 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NC[C@H]1CCCOC1 ZINC000111318340 588741682 /nfs/dbraw/zinc/74/16/82/588741682.db2.gz DYICKXKMPGLRFE-CYBMUJFWSA-N 1 2 248.370 2.900 20 0 BFADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@H]1CCCOC1 ZINC000111318340 588741683 /nfs/dbraw/zinc/74/16/83/588741683.db2.gz DYICKXKMPGLRFE-CYBMUJFWSA-N 1 2 248.370 2.900 20 0 BFADLO CCc1nn(C[N@@H+]2CC[C@@H](C)C2)c(=S)s1 ZINC000853492816 588746004 /nfs/dbraw/zinc/74/60/04/588746004.db2.gz BVMVVENRTVQJSO-MRVPVSSYSA-N 1 2 243.401 2.536 20 0 BFADLO CCc1nn(C[N@H+]2CC[C@@H](C)C2)c(=S)s1 ZINC000853492816 588746005 /nfs/dbraw/zinc/74/60/05/588746005.db2.gz BVMVVENRTVQJSO-MRVPVSSYSA-N 1 2 243.401 2.536 20 0 BFADLO CCC(C)(C)CCO[NH+]=C(N)Cc1cccnc1 ZINC000853679105 588755175 /nfs/dbraw/zinc/75/51/75/588755175.db2.gz SGNNHBPAUQFHCX-UHFFFAOYSA-N 1 2 249.358 2.949 20 0 BFADLO CCc1cc(NCc2ccnc(Cl)c2)nc[nH+]1 ZINC000853691676 588756856 /nfs/dbraw/zinc/75/68/56/588756856.db2.gz AZYBIRHJXYNLQR-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO CC(C)[C@@H](C)O[NH+]=C(N)Cc1cccc(F)c1 ZINC000853694841 588757145 /nfs/dbraw/zinc/75/71/45/588757145.db2.gz OHDBZEKNXNRAIT-SNVBAGLBSA-N 1 2 238.306 2.911 20 0 BFADLO C1=C[C@H](Nc2cc(N[C@@H]3C=CCC3)nc[nH+]2)CC1 ZINC000853800866 588764097 /nfs/dbraw/zinc/76/40/97/588764097.db2.gz ZGQMNNONRDBHGU-TXEJJXNPSA-N 1 2 242.326 2.738 20 0 BFADLO C1=C[C@H](Nc2cc(N[C@@H]3C=CCC3)[nH+]cn2)CC1 ZINC000853800866 588764098 /nfs/dbraw/zinc/76/40/98/588764098.db2.gz ZGQMNNONRDBHGU-TXEJJXNPSA-N 1 2 242.326 2.738 20 0 BFADLO C1=C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000853801451 588764355 /nfs/dbraw/zinc/76/43/55/588764355.db2.gz ZITXKDFFALSSFE-GFCCVEGCSA-N 1 2 244.342 2.597 20 0 BFADLO C1=C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000853801451 588764356 /nfs/dbraw/zinc/76/43/56/588764356.db2.gz ZITXKDFFALSSFE-GFCCVEGCSA-N 1 2 244.342 2.597 20 0 BFADLO CC(C)c1nc(NC[C@@H]2CCC[C@H](C)O2)cc[nH+]1 ZINC000853851093 588766027 /nfs/dbraw/zinc/76/60/27/588766027.db2.gz ZEFSAFXBJAGRCM-RYUDHWBXSA-N 1 2 249.358 2.970 20 0 BFADLO CS/C=C/c1nc(Cc2c[nH+]ccc2C)no1 ZINC000854098889 588774705 /nfs/dbraw/zinc/77/47/05/588774705.db2.gz XKXWJSJCHJLTSB-GQCTYLIASA-N 1 2 247.323 2.698 20 0 BFADLO COC[C@@H](C)Nc1ccc(-c2ccncc2)c[nH+]1 ZINC000891438480 582685026 /nfs/dbraw/zinc/68/50/26/582685026.db2.gz MESAYMQLQAUHNZ-LLVKDONJSA-N 1 2 243.310 2.590 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccco2)o1 ZINC000891488765 582692140 /nfs/dbraw/zinc/69/21/40/582692140.db2.gz ZZMWJTKMUCTHQL-UHFFFAOYSA-N 1 2 221.256 2.513 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccco2)o1 ZINC000891488765 582692143 /nfs/dbraw/zinc/69/21/43/582692143.db2.gz ZZMWJTKMUCTHQL-UHFFFAOYSA-N 1 2 221.256 2.513 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cn1 ZINC000891542344 582696139 /nfs/dbraw/zinc/69/61/39/582696139.db2.gz GRVYVIDXEHHGAP-ZDUSSCGKSA-N 1 2 248.370 2.501 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCO[C@@H](C)C2)cn1 ZINC000891542344 582696142 /nfs/dbraw/zinc/69/61/42/582696142.db2.gz GRVYVIDXEHHGAP-ZDUSSCGKSA-N 1 2 248.370 2.501 20 0 BFADLO COc1ccc(C[N@@H+]2CCc3sccc3C2)o1 ZINC000891552213 582696988 /nfs/dbraw/zinc/69/69/88/582696988.db2.gz MINJBBCYKAMSCN-UHFFFAOYSA-N 1 2 249.335 2.908 20 0 BFADLO COc1ccc(C[N@H+]2CCc3sccc3C2)o1 ZINC000891552213 582696990 /nfs/dbraw/zinc/69/69/90/582696990.db2.gz MINJBBCYKAMSCN-UHFFFAOYSA-N 1 2 249.335 2.908 20 0 BFADLO C[C@@H](O)c1cccc(NC(C2CC2)C2CC2)[nH+]1 ZINC000891671534 582708683 /nfs/dbraw/zinc/70/86/83/582708683.db2.gz PUXKUNLLCOAOKI-SECBINFHSA-N 1 2 232.327 2.735 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccoc2)cnc1F ZINC000891778807 582719483 /nfs/dbraw/zinc/71/94/83/582719483.db2.gz DGXDVYQDTAOTTN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccoc2)cnc1F ZINC000891778807 582719485 /nfs/dbraw/zinc/71/94/85/582719485.db2.gz DGXDVYQDTAOTTN-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO C[C@@H](O)c1cccc(NC[C@H]2CC=CCC2)[nH+]1 ZINC000892035702 582768078 /nfs/dbraw/zinc/76/80/78/582768078.db2.gz LRBLTNLOEPRIJS-NEPJUHHUSA-N 1 2 232.327 2.903 20 0 BFADLO CCC/C=C/C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000855902885 588853132 /nfs/dbraw/zinc/85/31/32/588853132.db2.gz OLKHPFIWGMYGIJ-VMPITWQZSA-N 1 2 243.310 2.938 20 0 BFADLO C[C@@H](CC(=O)N(C)c1ccsc1)n1cc[nH+]c1 ZINC000892556983 582913085 /nfs/dbraw/zinc/91/30/85/582913085.db2.gz KWKHRPRLJBDCRQ-JTQLQIEISA-N 1 2 249.339 2.559 20 0 BFADLO CCCCCCC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000856277307 588866538 /nfs/dbraw/zinc/86/65/38/588866538.db2.gz IIRIGSGGXUQTKY-NSHDSACASA-N 1 2 237.347 2.568 20 0 BFADLO CCc1cc(N[C@@]2(C)CCO[C@H]2C)nc(CC)[nH+]1 ZINC000893133498 583054977 /nfs/dbraw/zinc/05/49/77/583054977.db2.gz BKSHDCWGXPFGMI-HZMBPMFUSA-N 1 2 249.358 2.581 20 0 BFADLO COc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000893196648 583069001 /nfs/dbraw/zinc/06/90/01/583069001.db2.gz BDDLAAWZVDXWRR-UHFFFAOYSA-N 1 2 218.256 2.604 20 0 BFADLO CCOc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000893198256 583069113 /nfs/dbraw/zinc/06/91/13/583069113.db2.gz RGULRHPRJQYRGK-UHFFFAOYSA-N 1 2 232.283 2.994 20 0 BFADLO CCn1cc(CNc2ccc[nH+]c2C)c(C)n1 ZINC000893198203 583069146 /nfs/dbraw/zinc/06/91/46/583069146.db2.gz LRIBUMYQYUMSAO-UHFFFAOYSA-N 1 2 230.315 2.527 20 0 BFADLO CCOc1ccc(CNc2c[nH+]ccc2OC)o1 ZINC000893197862 583069258 /nfs/dbraw/zinc/06/92/58/583069258.db2.gz QKIUJFWXFBTFAB-UHFFFAOYSA-N 1 2 248.282 2.694 20 0 BFADLO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)cn1 ZINC000398185676 583123732 /nfs/dbraw/zinc/12/37/32/583123732.db2.gz IQQPGKLYHRXMKV-MWLCHTKSSA-N 1 2 243.301 2.741 20 0 BFADLO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csnn1)CC2 ZINC000398249107 583126575 /nfs/dbraw/zinc/12/65/75/583126575.db2.gz LOPJRRJQNUBSOL-ZDUSSCGKSA-N 1 2 245.351 2.624 20 0 BFADLO O=c1[nH]c2cccc(C[N@H+]3CCC=C(F)C3)c2o1 ZINC000893436177 583142702 /nfs/dbraw/zinc/14/27/02/583142702.db2.gz HILOJGZJBJQOKW-UHFFFAOYSA-N 1 2 248.257 2.593 20 0 BFADLO O=c1[nH]c2cccc(C[N@@H+]3CCC=C(F)C3)c2o1 ZINC000893436177 583142704 /nfs/dbraw/zinc/14/27/04/583142704.db2.gz HILOJGZJBJQOKW-UHFFFAOYSA-N 1 2 248.257 2.593 20 0 BFADLO C[C@@]1(Br)C[C@H]1C[N@@H+]1CCC=C(F)C1 ZINC000893435386 583142873 /nfs/dbraw/zinc/14/28/73/583142873.db2.gz BJIRALOTOYFQQT-WCBMZHEXSA-N 1 2 248.139 2.719 20 0 BFADLO C[C@@]1(Br)C[C@H]1C[N@H+]1CCC=C(F)C1 ZINC000893435386 583142875 /nfs/dbraw/zinc/14/28/75/583142875.db2.gz BJIRALOTOYFQQT-WCBMZHEXSA-N 1 2 248.139 2.719 20 0 BFADLO Cc1c[nH+]c2n1CC[C@@H]2OC(=O)[C@H]1CC[C@H](C)C1 ZINC000893524934 583157352 /nfs/dbraw/zinc/15/73/52/583157352.db2.gz VWMGHNIDOHZJLQ-DLOVCJGASA-N 1 2 248.326 2.616 20 0 BFADLO CC/C(C)=C/C(=O)O[C@@H]1CCn2c(C)c[nH+]c21 ZINC000893527759 583157939 /nfs/dbraw/zinc/15/79/39/583157939.db2.gz GLSRWAAZUJPSNY-MXMFLMJRSA-N 1 2 234.299 2.536 20 0 BFADLO C[C@H](O)c1cccc(N2CCC[C@@H](C3CC3)C2)[nH+]1 ZINC000893881803 583241089 /nfs/dbraw/zinc/24/10/89/583241089.db2.gz FGJMRNPFKRBKKM-WCQYABFASA-N 1 2 246.354 2.761 20 0 BFADLO COc1ccc(C[N@H+](C)Cc2ccc(C)cn2)o1 ZINC000893963906 583258146 /nfs/dbraw/zinc/25/81/46/583258146.db2.gz IWCVNUKFKMVMNT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1ccc(C[N@@H+](C)Cc2ccc(C)cn2)o1 ZINC000893963906 583258150 /nfs/dbraw/zinc/25/81/50/583258150.db2.gz IWCVNUKFKMVMNT-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CC(C)c1c[nH]c(CN(C)Cc2ccoc2)[nH+]1 ZINC000893974946 583264903 /nfs/dbraw/zinc/26/49/03/583264903.db2.gz YMMNLCDJQFQYQC-UHFFFAOYSA-N 1 2 233.315 2.758 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C)CC2)c1C ZINC000893978456 583266465 /nfs/dbraw/zinc/26/64/65/583266465.db2.gz STNLCSOGAZAJRL-JTQLQIEISA-N 1 2 221.348 2.649 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C)CC2)c1C ZINC000893978456 583266466 /nfs/dbraw/zinc/26/64/66/583266466.db2.gz STNLCSOGAZAJRL-JTQLQIEISA-N 1 2 221.348 2.649 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000893994834 583267934 /nfs/dbraw/zinc/26/79/34/583267934.db2.gz KMZXCYMXAPLBMZ-LBPRGKRZSA-N 1 2 245.326 2.691 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000893994834 583267937 /nfs/dbraw/zinc/26/79/37/583267937.db2.gz KMZXCYMXAPLBMZ-LBPRGKRZSA-N 1 2 245.326 2.691 20 0 BFADLO Cc1coc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000893994833 583268197 /nfs/dbraw/zinc/26/81/97/583268197.db2.gz KMZXCYMXAPLBMZ-GFCCVEGCSA-N 1 2 245.326 2.691 20 0 BFADLO Cc1coc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000893994833 583268200 /nfs/dbraw/zinc/26/82/00/583268200.db2.gz KMZXCYMXAPLBMZ-GFCCVEGCSA-N 1 2 245.326 2.691 20 0 BFADLO COc1ccc2ccc(N3CC[C@H](F)C3)[nH+]c2c1 ZINC000894022793 583274840 /nfs/dbraw/zinc/27/48/40/583274840.db2.gz DUWPEEDBQLXKRO-NSHDSACASA-N 1 2 246.285 2.792 20 0 BFADLO CCC[C@@H]1C[N@H+](Cc2cc(C)co2)CCO1 ZINC000894036475 583279451 /nfs/dbraw/zinc/27/94/51/583279451.db2.gz YPQYFDRWBOASMS-GFCCVEGCSA-N 1 2 223.316 2.589 20 0 BFADLO CCC[C@@H]1C[N@@H+](Cc2cc(C)co2)CCO1 ZINC000894036475 583279453 /nfs/dbraw/zinc/27/94/53/583279453.db2.gz YPQYFDRWBOASMS-GFCCVEGCSA-N 1 2 223.316 2.589 20 0 BFADLO CC(C)[C@]1(C)C[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000894160836 583321949 /nfs/dbraw/zinc/32/19/49/583321949.db2.gz DQKQSGVTVTUDLO-SUHUHFCYSA-N 1 2 234.343 2.981 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000894168216 583324469 /nfs/dbraw/zinc/32/44/69/583324469.db2.gz QULRCHDGKPQXKR-SRRSOLGSSA-N 1 2 232.327 2.735 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000894192861 583333724 /nfs/dbraw/zinc/33/37/24/583333724.db2.gz IFXFOBQXZWGBSG-CABZTGNLSA-N 1 2 246.310 2.989 20 0 BFADLO Cc1cnc(C[N@@H+]2CC[C@](C)(C(F)(F)F)C2)o1 ZINC000877812554 583349032 /nfs/dbraw/zinc/34/90/32/583349032.db2.gz QHZKPUJIBLEUIH-JTQLQIEISA-N 1 2 248.248 2.757 20 0 BFADLO Cc1cnc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)o1 ZINC000877812554 583349036 /nfs/dbraw/zinc/34/90/36/583349036.db2.gz QHZKPUJIBLEUIH-JTQLQIEISA-N 1 2 248.248 2.757 20 0 BFADLO CC[NH2+]Cc1noc(/C=C(/C)c2cccs2)n1 ZINC000857255328 588901522 /nfs/dbraw/zinc/90/15/22/588901522.db2.gz TXBHWBQMEBUGCS-CLFYSBASSA-N 1 2 249.339 2.801 20 0 BFADLO C[C@@H](O)c1cccc(N2CC[C@@H](C3CCC3)C2)[nH+]1 ZINC000894225599 583383782 /nfs/dbraw/zinc/38/37/82/583383782.db2.gz DUSMYVCIBPGODP-DGCLKSJQSA-N 1 2 246.354 2.761 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1cc(F)ccc1F ZINC000894236387 583385976 /nfs/dbraw/zinc/38/59/76/583385976.db2.gz QTLPHPCZPOXIQB-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000894365324 583438619 /nfs/dbraw/zinc/43/86/19/583438619.db2.gz XAVBXAKFFGOPKV-FIQHERPVSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@H](O)c1cccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000894365326 583439075 /nfs/dbraw/zinc/43/90/75/583439075.db2.gz XAVBXAKFFGOPKV-IRCOFANPSA-N 1 2 232.327 2.735 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)OCc2cc[nH+]c(N)c2)C1 ZINC000791943224 583453182 /nfs/dbraw/zinc/45/31/82/583453182.db2.gz FKGCSWMYTNTZSK-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO Cc1ncoc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000894421207 583455924 /nfs/dbraw/zinc/45/59/24/583455924.db2.gz AZZQYWPMNRKZPN-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1ncoc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000894421207 583455925 /nfs/dbraw/zinc/45/59/25/583455925.db2.gz AZZQYWPMNRKZPN-UHFFFAOYSA-N 1 2 246.285 2.680 20 0 BFADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)c1C ZINC000894464560 583466614 /nfs/dbraw/zinc/46/66/14/583466614.db2.gz RRSYGBVBPVHSAQ-SNVBAGLBSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c1C ZINC000894464560 583466615 /nfs/dbraw/zinc/46/66/15/583466615.db2.gz RRSYGBVBPVHSAQ-SNVBAGLBSA-N 1 2 235.375 2.895 20 0 BFADLO Cc1cc(F)ncc1C[NH2+][C@H]1CCCC1(F)F ZINC000894513331 583475998 /nfs/dbraw/zinc/47/59/98/583475998.db2.gz HQJRLKXHNZPNPR-JTQLQIEISA-N 1 2 244.260 2.807 20 0 BFADLO c1nc(C[NH2+]Cc2ccc(C3CCC3)cc2)c[nH]1 ZINC000894560217 583483016 /nfs/dbraw/zinc/48/30/16/583483016.db2.gz WGEIVLSNEPXMMH-UHFFFAOYSA-N 1 2 241.338 2.967 20 0 BFADLO Cc1c(NCc2c[nH+]c[nH]2)cnn1C1CCCC1 ZINC000894572563 583486067 /nfs/dbraw/zinc/48/60/67/583486067.db2.gz JHHSSRVNOHHJPT-UHFFFAOYSA-N 1 2 245.330 2.642 20 0 BFADLO Cc1c(NCc2c[nH]c[nH+]2)cnn1C1CCCC1 ZINC000894572563 583486068 /nfs/dbraw/zinc/48/60/68/583486068.db2.gz JHHSSRVNOHHJPT-UHFFFAOYSA-N 1 2 245.330 2.642 20 0 BFADLO C[C@@H](O)c1cccc(NC2CC(C)(C)C2)[nH+]1 ZINC000894639093 583498009 /nfs/dbraw/zinc/49/80/09/583498009.db2.gz JKGFEFDDLVQMRG-SECBINFHSA-N 1 2 220.316 2.735 20 0 BFADLO COc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894658461 583500188 /nfs/dbraw/zinc/50/01/88/583500188.db2.gz IFSDUCQYHTWOPB-GFCCVEGCSA-N 1 2 227.279 2.612 20 0 BFADLO COc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894658461 583500191 /nfs/dbraw/zinc/50/01/91/583500191.db2.gz IFSDUCQYHTWOPB-GFCCVEGCSA-N 1 2 227.279 2.612 20 0 BFADLO CCOC1C[NH+](Cc2ccc(CC(C)C)nc2)C1 ZINC000894820177 583524750 /nfs/dbraw/zinc/52/47/50/583524750.db2.gz RLICHZKQZSOPTI-UHFFFAOYSA-N 1 2 248.370 2.501 20 0 BFADLO COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)o1 ZINC000894828240 583527350 /nfs/dbraw/zinc/52/73/50/583527350.db2.gz MYDBYLTWKMLQMD-UHFFFAOYSA-N 1 2 249.232 2.672 20 0 BFADLO CCc1ccc(NCc2c[nH+]c[nH]2)cc1OC ZINC000894918071 583555559 /nfs/dbraw/zinc/55/55/59/583555559.db2.gz UCGVJRYKCSMSFL-UHFFFAOYSA-N 1 2 231.299 2.593 20 0 BFADLO CCc1ccc(NCc2c[nH]c[nH+]2)cc1OC ZINC000894918071 583555561 /nfs/dbraw/zinc/55/55/61/583555561.db2.gz UCGVJRYKCSMSFL-UHFFFAOYSA-N 1 2 231.299 2.593 20 0 BFADLO C/C(=C/Cl)CSCc1cn(C)c[nH+]1 ZINC000882162013 583596733 /nfs/dbraw/zinc/59/67/33/583596733.db2.gz RLRQQOQZRUMNAP-BAQGIRSFSA-N 1 2 216.737 2.796 20 0 BFADLO C=C/C=C\CCNc1cccc([C@H](C)O)[nH+]1 ZINC000895132056 583601077 /nfs/dbraw/zinc/60/10/77/583601077.db2.gz NICXSBNEDADYII-WYGGZMRJSA-N 1 2 218.300 2.679 20 0 BFADLO COc1ccc2c(c1)C[N@@H+](Cc1ocnc1C)C2 ZINC000895189046 583619723 /nfs/dbraw/zinc/61/97/23/583619723.db2.gz SBQSRUDHLJIDRU-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO COc1ccc2c(c1)C[N@H+](Cc1ocnc1C)C2 ZINC000895189046 583619724 /nfs/dbraw/zinc/61/97/24/583619724.db2.gz SBQSRUDHLJIDRU-UHFFFAOYSA-N 1 2 244.294 2.507 20 0 BFADLO CCOc1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000895190799 583620099 /nfs/dbraw/zinc/62/00/99/583620099.db2.gz BBJMOUSWLKQCOA-SNVBAGLBSA-N 1 2 227.279 2.612 20 0 BFADLO CCOc1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000895190799 583620100 /nfs/dbraw/zinc/62/01/00/583620100.db2.gz BBJMOUSWLKQCOA-SNVBAGLBSA-N 1 2 227.279 2.612 20 0 BFADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000895192129 583621613 /nfs/dbraw/zinc/62/16/13/583621613.db2.gz XNHOPFQUYHSQPQ-MRVPVSSYSA-N 1 2 245.729 2.559 20 0 BFADLO CCc1[nH]nc(Cl)c1C[N@H+]1CCC[C@@H](F)C1 ZINC000895192129 583621614 /nfs/dbraw/zinc/62/16/14/583621614.db2.gz XNHOPFQUYHSQPQ-MRVPVSSYSA-N 1 2 245.729 2.559 20 0 BFADLO CCc1[nH]nc(Cl)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000895192130 583621953 /nfs/dbraw/zinc/62/19/53/583621953.db2.gz XNHOPFQUYHSQPQ-QMMMGPOBSA-N 1 2 245.729 2.559 20 0 BFADLO CCc1[nH]nc(Cl)c1C[N@H+]1CCC[C@H](F)C1 ZINC000895192130 583621954 /nfs/dbraw/zinc/62/19/54/583621954.db2.gz XNHOPFQUYHSQPQ-QMMMGPOBSA-N 1 2 245.729 2.559 20 0 BFADLO CCc1csc(NCc2cc[nH+]c(NC)c2)n1 ZINC000895254545 583633634 /nfs/dbraw/zinc/63/36/34/583633634.db2.gz AGKLQPHRDCOJLM-UHFFFAOYSA-N 1 2 248.355 2.754 20 0 BFADLO Cc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857874618 588918260 /nfs/dbraw/zinc/91/82/60/588918260.db2.gz UTVVPIOOBSDUDX-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857874618 588918261 /nfs/dbraw/zinc/91/82/61/588918261.db2.gz UTVVPIOOBSDUDX-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO COc1ccc(C[NH2+][C@@H](C)c2cscn2)o1 ZINC000895337420 583654111 /nfs/dbraw/zinc/65/41/11/583654111.db2.gz GVQTWWXXTGESJQ-QMMMGPOBSA-N 1 2 238.312 2.596 20 0 BFADLO CSCCc1ccccc1NCc1c[nH+]c[nH]1 ZINC000895417907 583667172 /nfs/dbraw/zinc/66/71/72/583667172.db2.gz ILOGJGZAMYNUGU-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CSCCc1ccccc1NCc1c[nH]c[nH+]1 ZINC000895417907 583667173 /nfs/dbraw/zinc/66/71/73/583667173.db2.gz ILOGJGZAMYNUGU-UHFFFAOYSA-N 1 2 247.367 2.927 20 0 BFADLO CO[C@H](C[N@@H+]1CC[C@@H]1C(F)F)C1CCCC1 ZINC000895430565 583669579 /nfs/dbraw/zinc/66/95/79/583669579.db2.gz GRWWJCQBAXCQOM-GHMZBOCLSA-N 1 2 233.302 2.531 20 0 BFADLO CO[C@H](C[N@H+]1CC[C@@H]1C(F)F)C1CCCC1 ZINC000895430565 583669581 /nfs/dbraw/zinc/66/95/81/583669581.db2.gz GRWWJCQBAXCQOM-GHMZBOCLSA-N 1 2 233.302 2.531 20 0 BFADLO COC1(C[N@@H+]2CC[C@H]2C(F)F)CCCCC1 ZINC000895432809 583671399 /nfs/dbraw/zinc/67/13/99/583671399.db2.gz QDSTVXZOUJSGBA-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO COC1(C[N@H+]2CC[C@H]2C(F)F)CCCCC1 ZINC000895432809 583671400 /nfs/dbraw/zinc/67/14/00/583671400.db2.gz QDSTVXZOUJSGBA-JTQLQIEISA-N 1 2 233.302 2.675 20 0 BFADLO FC(F)[C@H]1CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000895432612 583671666 /nfs/dbraw/zinc/67/16/66/583671666.db2.gz OWSUOPXPECVYFQ-VHSXEESVSA-N 1 2 201.260 2.682 20 0 BFADLO FC(F)[C@H]1CC[N@H+]1C[C@H]1CC=CCC1 ZINC000895432612 583671668 /nfs/dbraw/zinc/67/16/68/583671668.db2.gz OWSUOPXPECVYFQ-VHSXEESVSA-N 1 2 201.260 2.682 20 0 BFADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)[nH+]1 ZINC000895536185 583686951 /nfs/dbraw/zinc/68/69/51/583686951.db2.gz BAIBAXMFAUTJFA-ZZBQETCWSA-N 1 2 232.327 2.591 20 0 BFADLO FC[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000895573715 583692802 /nfs/dbraw/zinc/69/28/02/583692802.db2.gz SBFZVAYNLKTXKN-SSDOTTSWSA-N 1 2 234.727 2.588 20 0 BFADLO FC[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000895573715 583692803 /nfs/dbraw/zinc/69/28/03/583692803.db2.gz SBFZVAYNLKTXKN-SSDOTTSWSA-N 1 2 234.727 2.588 20 0 BFADLO CC1(C)Cc2ccccc2N1Cc1c[nH+]c[nH]1 ZINC000895650879 583699831 /nfs/dbraw/zinc/69/98/31/583699831.db2.gz PNZQTNZYJOVWHI-UHFFFAOYSA-N 1 2 227.311 2.751 20 0 BFADLO CC1(C)Cc2ccccc2N1Cc1c[nH]c[nH+]1 ZINC000895650879 583699833 /nfs/dbraw/zinc/69/98/33/583699833.db2.gz PNZQTNZYJOVWHI-UHFFFAOYSA-N 1 2 227.311 2.751 20 0 BFADLO Cc1cc(N[C@H]2CSC[C@H]2C)c[nH+]c1C ZINC000895645079 583700514 /nfs/dbraw/zinc/70/05/14/583700514.db2.gz LYEFFIUZEHXFAF-SKDRFNHKSA-N 1 2 222.357 2.862 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)c[nH+]c1C ZINC000895645133 583700559 /nfs/dbraw/zinc/70/05/59/583700559.db2.gz NIYWSKCKKIZUTO-KBPBESRZSA-N 1 2 232.327 2.678 20 0 BFADLO Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)c[nH+]c1C ZINC000895645134 583700575 /nfs/dbraw/zinc/70/05/75/583700575.db2.gz NIYWSKCKKIZUTO-KGLIPLIRSA-N 1 2 232.327 2.678 20 0 BFADLO C[C@H]([NH2+]Cc1nccc2ccccc21)C(F)F ZINC000895730063 583713348 /nfs/dbraw/zinc/71/33/48/583713348.db2.gz OBOIRBWJXNEPMG-VIFPVBQESA-N 1 2 236.265 2.978 20 0 BFADLO CC(C)=CCC[C@H](C)CC[NH2+][C@H]1CCOC1=O ZINC000895803113 583731445 /nfs/dbraw/zinc/73/14/45/583731445.db2.gz BYMFLFHVCQULPE-STQMWFEESA-N 1 2 239.359 2.664 20 0 BFADLO Cc1cnc(Cl)c(C[NH+]2CC(C)(C)C2)c1 ZINC000895825022 583734922 /nfs/dbraw/zinc/73/49/22/583734922.db2.gz DCOOCBZBFZDWOI-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO CCc1nc(NC(C)(C)/C=C\Cl)cc[nH+]1 ZINC000895914054 583746201 /nfs/dbraw/zinc/74/62/01/583746201.db2.gz HIAHPIURAUKHLH-SREVYHEPSA-N 1 2 225.723 2.982 20 0 BFADLO CC[C@H](CC(C)C)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857977815 588926737 /nfs/dbraw/zinc/92/67/37/588926737.db2.gz ZSJCBETUAPFEQV-VXGBXAGGSA-N 1 2 249.358 2.516 20 0 BFADLO CCCC(CCC)C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000857980153 588927184 /nfs/dbraw/zinc/92/71/84/588927184.db2.gz IVKSPCWJUZWRRJ-GFCCVEGCSA-N 1 2 249.358 2.661 20 0 BFADLO c1ccc(NCCc2nc3c(s2)CCC3)[nH+]c1 ZINC000896071578 583767907 /nfs/dbraw/zinc/76/79/07/583767907.db2.gz POIVZKIVNLSXCK-UHFFFAOYSA-N 1 2 245.351 2.681 20 0 BFADLO CCc1nc(N[C@@H]2CCS[C@@H](C)C2)cc[nH+]1 ZINC000896247505 583785016 /nfs/dbraw/zinc/78/50/16/583785016.db2.gz QYPKJNBTPUTHFV-VHSXEESVSA-N 1 2 237.372 2.735 20 0 BFADLO CC(C)(C)CCCC(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000857986554 588929171 /nfs/dbraw/zinc/92/91/71/588929171.db2.gz WLZUQHKNNAZLFN-NSHDSACASA-N 1 2 249.358 2.661 20 0 BFADLO CCc1cc(N[C@@H]2CCS[C@@H](C)C2)nc[nH+]1 ZINC000896248190 583785950 /nfs/dbraw/zinc/78/59/50/583785950.db2.gz XBCVZHZKTRGZAN-GXSJLCMTSA-N 1 2 237.372 2.735 20 0 BFADLO CCC/C=C\C(=O)N1CCNc2[nH+]cc(C)cc21 ZINC000857995261 588929705 /nfs/dbraw/zinc/92/97/05/588929705.db2.gz ZLTFVMGYFHHJTL-WAYWQWQTSA-N 1 2 245.326 2.505 20 0 BFADLO CCO[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000896404943 583800176 /nfs/dbraw/zinc/80/01/76/583800176.db2.gz SZIHBFAXCLYGGS-ZDUSSCGKSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@H](CO)C1 ZINC000896691142 583822425 /nfs/dbraw/zinc/82/24/25/583822425.db2.gz USUNGFLUBFGAHI-AULYBMBSSA-N 1 2 242.322 2.726 20 0 BFADLO C[NH+](C)C1(c2nc([C@@H]3CCC[C@@H]4C[C@@H]43)no2)CC1 ZINC000896765946 583832229 /nfs/dbraw/zinc/83/22/29/583832229.db2.gz OGOHUWZTKGOFDS-MXWKQRLJSA-N 1 2 247.342 2.524 20 0 BFADLO Cc1nc(NCC(C)(C)C2CC2)cc[nH+]1 ZINC000896785806 583833901 /nfs/dbraw/zinc/83/39/01/583833901.db2.gz LRCWIXMSSZSHMC-UHFFFAOYSA-N 1 2 205.305 2.633 20 0 BFADLO Cc1nc(N2CC[C@@H]2C2CCCC2)cc[nH+]1 ZINC000897155281 583886160 /nfs/dbraw/zinc/88/61/60/583886160.db2.gz BAZCEWALTWMDJM-GFCCVEGCSA-N 1 2 217.316 2.554 20 0 BFADLO CCc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc[nH+]1 ZINC000897177850 583890485 /nfs/dbraw/zinc/89/04/85/583890485.db2.gz WCWDDQJDPCPZRB-ZMLRMANQSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)nc[nH+]1 ZINC000897177848 583890720 /nfs/dbraw/zinc/89/07/20/583890720.db2.gz WCWDDQJDPCPZRB-MVWJERBFSA-N 1 2 217.316 2.640 20 0 BFADLO Cc1nc(NC[C@@H]2CCCC(C)(C)O2)cc[nH+]1 ZINC000897253760 583903682 /nfs/dbraw/zinc/90/36/82/583903682.db2.gz HANFZPFAUFVDQM-NSHDSACASA-N 1 2 235.331 2.545 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2CCCC(C)(C)O2)c1C ZINC000897255012 583904555 /nfs/dbraw/zinc/90/45/55/583904555.db2.gz WFFKEYVYTUDLQO-LBPRGKRZSA-N 1 2 249.358 2.853 20 0 BFADLO Cc1cc(NC/C=C\Cl)nc(C2CC2)[nH+]1 ZINC000897505606 583998364 /nfs/dbraw/zinc/99/83/64/583998364.db2.gz MRVWDHHIEBQCPA-DJWKRKHSSA-N 1 2 223.707 2.827 20 0 BFADLO Cc1[nH]c(CNc2ccc(C3CC3)c[nH+]2)[nH+]c1C ZINC000897716047 584043243 /nfs/dbraw/zinc/04/32/43/584043243.db2.gz USMRNJXFRPVNOK-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO Cc1nc(CNc2ccc(C3CC3)c[nH+]2)[nH]c1C ZINC000897716047 584043245 /nfs/dbraw/zinc/04/32/45/584043245.db2.gz USMRNJXFRPVNOK-UHFFFAOYSA-N 1 2 242.326 2.911 20 0 BFADLO CCn1c[nH+]c(/C=C\c2nc(Cl)ncc2C)c1 ZINC000899371248 584208157 /nfs/dbraw/zinc/20/81/57/584208157.db2.gz FAORDYXLGVGBCK-PLNGDYQASA-N 1 2 248.717 2.825 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccns2)no1 ZINC000858576075 588968343 /nfs/dbraw/zinc/96/83/43/588968343.db2.gz HOAABOJGAOFVNW-IUCAKERBSA-N 1 2 237.328 2.851 20 0 BFADLO CCCOc1ccc([NH2+][C@@H](C)CCO)cc1C ZINC000858568710 588967282 /nfs/dbraw/zinc/96/72/82/588967282.db2.gz PVKGKXPQQZCIEB-LBPRGKRZSA-N 1 2 237.343 2.967 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccns2)no1 ZINC000858576074 588967745 /nfs/dbraw/zinc/96/77/45/588967745.db2.gz HOAABOJGAOFVNW-DTWKUNHWSA-N 1 2 237.328 2.851 20 0 BFADLO CCC[C@@H](CC)C(=O)OCc1cc[nH+]c(N)c1 ZINC000873422197 584262989 /nfs/dbraw/zinc/26/29/89/584262989.db2.gz XGIBJSRELQSDJN-LLVKDONJSA-N 1 2 236.315 2.533 20 0 BFADLO CCC1(C(=O)NCc2[nH]c(C)c(C)[nH+]2)CCCC1 ZINC000900998031 584375255 /nfs/dbraw/zinc/37/52/55/584375255.db2.gz RBVYDTHPNLTDMT-UHFFFAOYSA-N 1 2 249.358 2.613 20 0 BFADLO CC(C)[C@H]([NH2+]CC[C@H]1CCCO1)C(F)(F)F ZINC000901413525 584440913 /nfs/dbraw/zinc/44/09/13/584440913.db2.gz WUHAZUASWFGHKT-ZJUUUORDSA-N 1 2 239.281 2.732 20 0 BFADLO C[C@@H]1Cc2cc([NH2+]CCCCCO)ccc2O1 ZINC000901448261 584447132 /nfs/dbraw/zinc/44/71/32/584447132.db2.gz PVHWRAVVAPKBOL-LLVKDONJSA-N 1 2 235.327 2.585 20 0 BFADLO Cn1c[nH+]c(/C=C/c2nc3c(s2)CCC3)c1 ZINC000901552092 584465136 /nfs/dbraw/zinc/46/51/36/584465136.db2.gz RIEZJXHKLZOUSL-AATRIKPKSA-N 1 2 231.324 2.536 20 0 BFADLO CCOc1ccc([NH2+]C[C@@H]2C[C@]23CCOC3)cc1 ZINC000901947703 584507024 /nfs/dbraw/zinc/50/70/24/584507024.db2.gz POJUVBDYAMWJBQ-WFASDCNBSA-N 1 2 247.338 2.924 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@@]23CCOC3)c(C)c1 ZINC000901982256 584511693 /nfs/dbraw/zinc/51/16/93/584511693.db2.gz PPYDLTHSBFFBOK-IUODEOHRSA-N 1 2 247.338 2.842 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(C)c2)c1 ZINC000902079671 584520587 /nfs/dbraw/zinc/52/05/87/584520587.db2.gz REEJSJOPIUNWEY-UHFFFAOYSA-N 1 2 215.300 2.824 20 0 BFADLO CCc1onc(C)c1CNc1c[nH+]ccc1C ZINC000902065233 584522659 /nfs/dbraw/zinc/52/26/59/584522659.db2.gz GDQRRJIDNINYJX-UHFFFAOYSA-N 1 2 231.299 2.861 20 0 BFADLO CCn1c[nH+]c(CNc2cc(F)ccc2C)c1 ZINC000902344463 584557763 /nfs/dbraw/zinc/55/77/63/584557763.db2.gz CTCQPBYZRUGBMY-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CCn1c[nH+]c(CNc2ccccc2F)c1 ZINC000902346248 584558042 /nfs/dbraw/zinc/55/80/42/584558042.db2.gz NTHULZGTRIUSHA-UHFFFAOYSA-N 1 2 219.263 2.654 20 0 BFADLO CCc1nc(C)ccc1OCc1ccc(N)[nH+]c1 ZINC000902355448 584569504 /nfs/dbraw/zinc/56/95/04/584569504.db2.gz UHEUBZZPCSJJJV-UHFFFAOYSA-N 1 2 243.310 2.509 20 0 BFADLO CC(C)c1cnn(Cc2ccc(N(C)C)[nH+]c2)c1 ZINC000902457209 584610130 /nfs/dbraw/zinc/61/01/30/584610130.db2.gz UHLBNHASCXWIBF-UHFFFAOYSA-N 1 2 244.342 2.516 20 0 BFADLO CCn1c[nH+]c(CNc2cccc(C)c2F)c1 ZINC000902470674 584616496 /nfs/dbraw/zinc/61/64/96/584616496.db2.gz ZPGZPVIIXJPUPQ-UHFFFAOYSA-N 1 2 233.290 2.963 20 0 BFADLO CNc1ccc(C)cc1C[NH2+]C1(C(F)F)CC1 ZINC000902539494 584628206 /nfs/dbraw/zinc/62/82/06/584628206.db2.gz UYOJUDRMPPFBRK-UHFFFAOYSA-N 1 2 240.297 2.924 20 0 BFADLO COC[C@H](CSCCn1cc[nH+]c1)C(C)C ZINC000902605005 584642531 /nfs/dbraw/zinc/64/25/31/584642531.db2.gz RDYWSRQHZXTTCZ-GFCCVEGCSA-N 1 2 242.388 2.535 20 0 BFADLO c1cc2cc(OC[C@@H]3CCOC3)ccc2c[nH+]1 ZINC000902638638 584649027 /nfs/dbraw/zinc/64/90/27/584649027.db2.gz QGGVCJNVYSWYOO-LLVKDONJSA-N 1 2 229.279 2.650 20 0 BFADLO Cc1ccc(N[C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c[nH+]1 ZINC000902919820 584692416 /nfs/dbraw/zinc/69/24/16/584692416.db2.gz PVUFWYBKDFNKPN-VQJWOFKYSA-N 1 2 244.338 2.615 20 0 BFADLO F[C@H]1CCC[N@H+](CCSC(F)(F)F)C1 ZINC000902990394 584709596 /nfs/dbraw/zinc/70/95/96/584709596.db2.gz BBRNRKYAJHMHEA-ZETCQYMHSA-N 1 2 231.258 2.673 20 0 BFADLO F[C@H]1CCC[N@@H+](CCSC(F)(F)F)C1 ZINC000902990394 584709597 /nfs/dbraw/zinc/70/95/97/584709597.db2.gz BBRNRKYAJHMHEA-ZETCQYMHSA-N 1 2 231.258 2.673 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995512 584710132 /nfs/dbraw/zinc/71/01/32/584710132.db2.gz NJCZNXNOCTUNNN-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](F)C1 ZINC000902995512 584710133 /nfs/dbraw/zinc/71/01/33/584710133.db2.gz NJCZNXNOCTUNNN-GHMZBOCLSA-N 1 2 245.338 2.541 20 0 BFADLO F[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000902992315 584710770 /nfs/dbraw/zinc/71/07/70/584710770.db2.gz JPLJXZYVALJFEU-SSDOTTSWSA-N 1 2 212.095 2.739 20 0 BFADLO F[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000902992315 584710772 /nfs/dbraw/zinc/71/07/72/584710772.db2.gz JPLJXZYVALJFEU-SSDOTTSWSA-N 1 2 212.095 2.739 20 0 BFADLO Cc1cccc2nc(C[N@@H+]3CCC[C@@H](F)C3)cn21 ZINC000902998062 584714860 /nfs/dbraw/zinc/71/48/60/584714860.db2.gz FMZXJXRUVHFPHX-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2nc(C[N@H+]3CCC[C@@H](F)C3)cn21 ZINC000902998062 584714861 /nfs/dbraw/zinc/71/48/61/584714861.db2.gz FMZXJXRUVHFPHX-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1cccc2[nH+]c(CN3CCC[C@@H](F)C3)cn21 ZINC000902998062 584714862 /nfs/dbraw/zinc/71/48/62/584714862.db2.gz FMZXJXRUVHFPHX-GFCCVEGCSA-N 1 2 247.317 2.577 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(CF)cc2)CCC1=O ZINC000801943520 584724350 /nfs/dbraw/zinc/72/43/50/584724350.db2.gz XXECKXBTLYKOJH-LLVKDONJSA-N 1 2 235.302 2.567 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)CCC1=O ZINC000801943520 584724351 /nfs/dbraw/zinc/72/43/51/584724351.db2.gz XXECKXBTLYKOJH-LLVKDONJSA-N 1 2 235.302 2.567 20 0 BFADLO CCC[C@@]1(C)CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896580 584819688 /nfs/dbraw/zinc/81/96/88/584819688.db2.gz VLEPSUPMDKPJOM-YPMHNXCESA-N 1 2 248.361 2.871 20 0 BFADLO CCC[C@@]1(C)CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903896580 584819690 /nfs/dbraw/zinc/81/96/90/584819690.db2.gz VLEPSUPMDKPJOM-YPMHNXCESA-N 1 2 248.361 2.871 20 0 BFADLO CC[C@@H](C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904271976 584858611 /nfs/dbraw/zinc/85/86/11/584858611.db2.gz GSNDYIOMQSGKDK-SSDOTTSWSA-N 1 2 232.287 2.536 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1noc([C@@H]2CC2(C)C)n1 ZINC000904269711 584858621 /nfs/dbraw/zinc/85/86/21/584858621.db2.gz QCWBXTSRAZMUGQ-VIFPVBQESA-N 1 2 244.298 2.536 20 0 BFADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000754131042 584913631 /nfs/dbraw/zinc/91/36/31/584913631.db2.gz UBQDBBNUHRMNQF-XUJVJEKNSA-N 1 2 247.338 2.922 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000754145000 584913824 /nfs/dbraw/zinc/91/38/24/584913824.db2.gz SEYYPHREQHLNCQ-WDEREUQCSA-N 1 2 232.327 2.583 20 0 BFADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(OC2COC2)cc1 ZINC000754147360 584913996 /nfs/dbraw/zinc/91/39/96/584913996.db2.gz COIPNPWTYNUVTL-WDEREUQCSA-N 1 2 233.311 2.532 20 0 BFADLO COc1c(C)cc(C[NH2+]Cc2cocn2)cc1C ZINC000730818732 584916949 /nfs/dbraw/zinc/91/69/49/584916949.db2.gz BOUKTAUBOKWBJU-UHFFFAOYSA-N 1 2 246.310 2.590 20 0 BFADLO Cc1[nH]c(C(=O)NCC2CCCCCCC2)c[nH+]1 ZINC000732274713 584935364 /nfs/dbraw/zinc/93/53/64/584935364.db2.gz MVCQSHHFBOKKQB-UHFFFAOYSA-N 1 2 249.358 2.808 20 0 BFADLO CC/C=C(\C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733881727 584954205 /nfs/dbraw/zinc/95/42/05/584954205.db2.gz XLCMQQXFQFPVII-ONNFQVAWSA-N 1 2 229.283 2.629 20 0 BFADLO C[C@@H](CC(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000733969190 584955782 /nfs/dbraw/zinc/95/57/82/584955782.db2.gz DDCSCGRZJQAHAS-JTQLQIEISA-N 1 2 243.310 2.709 20 0 BFADLO CC1CCC(=CC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000734129010 584958934 /nfs/dbraw/zinc/95/89/34/584958934.db2.gz XIFOPZXTHONZNZ-UHFFFAOYSA-N 1 2 247.342 2.505 20 0 BFADLO CC(C)[C@@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736621790 585008057 /nfs/dbraw/zinc/00/80/57/585008057.db2.gz QMRXHDHVYZWPCT-SSDOTTSWSA-N 1 2 215.234 2.863 20 0 BFADLO CC(C)[C@@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736621790 585008058 /nfs/dbraw/zinc/00/80/58/585008058.db2.gz QMRXHDHVYZWPCT-SSDOTTSWSA-N 1 2 215.234 2.863 20 0 BFADLO Cc1coc(C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000885944449 585031152 /nfs/dbraw/zinc/03/11/52/585031152.db2.gz QBXCAHZCZSROFF-UHFFFAOYSA-N 1 2 247.323 2.587 20 0 BFADLO CC[N@H+](Cn1ncsc1=S)C1CCC1 ZINC000738052302 585040695 /nfs/dbraw/zinc/04/06/95/585040695.db2.gz CZROSJXHOKZZRH-UHFFFAOYSA-N 1 2 229.374 2.506 20 0 BFADLO CC[N@@H+](Cn1ncsc1=S)C1CCC1 ZINC000738052302 585040696 /nfs/dbraw/zinc/04/06/96/585040696.db2.gz CZROSJXHOKZZRH-UHFFFAOYSA-N 1 2 229.374 2.506 20 0 BFADLO C[C@H]1CC=C(C(=O)OCCCn2cc[nH+]c2)CC1 ZINC000838346657 585053250 /nfs/dbraw/zinc/05/32/50/585053250.db2.gz OZXOUKRBLMOFHD-LBPRGKRZSA-N 1 2 248.326 2.563 20 0 BFADLO COc1cc[nH+]cc1COC(=O)[C@@H](C)C1CCC1 ZINC000838385949 585055464 /nfs/dbraw/zinc/05/54/64/585055464.db2.gz NFAMXJGAWCBOMY-JTQLQIEISA-N 1 2 249.310 2.570 20 0 BFADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000103173166 585067836 /nfs/dbraw/zinc/06/78/36/585067836.db2.gz BLKITFAGQMOLLZ-UHFFFAOYSA-N 1 2 247.317 2.882 20 0 BFADLO C/C=C(\CC)C(=O)OCc1ccc[nH+]c1N(C)C ZINC000838954197 585080911 /nfs/dbraw/zinc/08/09/11/585080911.db2.gz IUZWTYYDOCNQOG-VZUCSPMQSA-N 1 2 248.326 2.547 20 0 BFADLO O=C(C=C1CCCC1)Nc1ccn2cc[nH+]c2c1 ZINC000839361096 585101904 /nfs/dbraw/zinc/10/19/04/585101904.db2.gz XIOXRXJICDEZNJ-UHFFFAOYSA-N 1 2 241.294 2.773 20 0 BFADLO C[C@H](CC(=O)Nc1ccn2cc[nH+]c2c1)C1CC1 ZINC000839361068 585101927 /nfs/dbraw/zinc/10/19/27/585101927.db2.gz VFOKILFLYJWZHT-SNVBAGLBSA-N 1 2 243.310 2.709 20 0 BFADLO CCc1ccc([C@H](COC)[NH2+]Cc2ccoc2)o1 ZINC000742374469 585125476 /nfs/dbraw/zinc/12/54/76/585125476.db2.gz YVCFIPJZPMIMGL-ZDUSSCGKSA-N 1 2 249.310 2.912 20 0 BFADLO COc1ccc(CNc2cc[nH+]c(C)n2)cc1C ZINC000742400367 585125831 /nfs/dbraw/zinc/12/58/31/585125831.db2.gz FVKRERKRBMRXIZ-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO COC[C@@H]([NH2+]Cc1ccoc1)c1ccc(C)o1 ZINC000747099453 585175103 /nfs/dbraw/zinc/17/51/03/585175103.db2.gz CDYIVMXJDSBDDW-GFCCVEGCSA-N 1 2 235.283 2.658 20 0 BFADLO CCCCC[C@@H](C)CC(=O)NCc1c[nH+]c[nH]1 ZINC000748322185 585190668 /nfs/dbraw/zinc/19/06/68/585190668.db2.gz UXRAUYNZXAYULG-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CCCCC[C@@H](C)CC(=O)NCc1c[nH]c[nH+]1 ZINC000748322185 585190669 /nfs/dbraw/zinc/19/06/69/585190669.db2.gz UXRAUYNZXAYULG-LLVKDONJSA-N 1 2 237.347 2.632 20 0 BFADLO CC(C)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000748491927 585193616 /nfs/dbraw/zinc/19/36/16/585193616.db2.gz MDNRLOXDKNOKCO-UHFFFAOYSA-N 1 2 244.294 2.572 20 0 BFADLO CC(C)(C)c1nc(NCCOC2CCC2)cc[nH+]1 ZINC000749285345 585201099 /nfs/dbraw/zinc/20/10/99/585201099.db2.gz ZFCOAMQYFUDODD-UHFFFAOYSA-N 1 2 249.358 2.755 20 0 BFADLO C[N@H+](CCC1CC1)CC(F)(F)C(F)F ZINC000749531049 585203703 /nfs/dbraw/zinc/20/37/03/585203703.db2.gz KENOFQZVENKCLL-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO C[N@@H+](CCC1CC1)CC(F)(F)C(F)F ZINC000749531049 585203704 /nfs/dbraw/zinc/20/37/04/585203704.db2.gz KENOFQZVENKCLL-UHFFFAOYSA-N 1 2 213.218 2.619 20 0 BFADLO Cc1nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c(=S)s1 ZINC000751925496 585239297 /nfs/dbraw/zinc/23/92/97/585239297.db2.gz FVRFKLOTSGLGDA-OCAPTIKFSA-N 1 2 243.401 2.528 20 0 BFADLO Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(=S)s1 ZINC000751925496 585239298 /nfs/dbraw/zinc/23/92/98/585239298.db2.gz FVRFKLOTSGLGDA-OCAPTIKFSA-N 1 2 243.401 2.528 20 0 BFADLO Cc1nc(SCc2c[nH+]cn2C)sc1C ZINC000753061526 585252645 /nfs/dbraw/zinc/25/26/45/585252645.db2.gz MMMGDFBRLFPVFJ-UHFFFAOYSA-N 1 2 239.369 2.786 20 0 BFADLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1ccccc1 ZINC000753569637 585262113 /nfs/dbraw/zinc/26/21/13/585262113.db2.gz RXKQNMFSDBNGPN-AWEZNQCLSA-N 1 2 247.338 2.508 20 0 BFADLO COc1ccc([NH2+]C[C@H]2C[C@@H]2C)cc1NC(C)=O ZINC000754129424 585279112 /nfs/dbraw/zinc/27/91/12/585279112.db2.gz QBFZVFNNRHYNBT-GXSJLCMTSA-N 1 2 248.326 2.722 20 0 BFADLO Cc1ccccc1C(N)=[NH+]OCCC(C)C ZINC000754280614 585282071 /nfs/dbraw/zinc/28/20/71/585282071.db2.gz XBBANSBWWUGUAY-UHFFFAOYSA-N 1 2 220.316 2.888 20 0 BFADLO C[C@H]1CC[C@H](C)[NH+]1CC(F)(F)C(F)F ZINC000757862993 585346231 /nfs/dbraw/zinc/34/62/31/585346231.db2.gz WOLRRRNNDVEPJA-BQBZGAKWSA-N 1 2 213.218 2.760 20 0 BFADLO Cc1cnc(Nc2ccc([NH+](C)C)cc2C)nc1 ZINC000758140869 585350687 /nfs/dbraw/zinc/35/06/87/585350687.db2.gz ZHYJJSWMJHLMSS-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@H+](CCF)[C@H](C)CO1 ZINC000759348263 585370696 /nfs/dbraw/zinc/37/06/96/585370696.db2.gz SUSSMYGBABWAJF-OCCSQVGLSA-N 1 2 237.318 2.726 20 0 BFADLO Cc1ccccc1[C@@H]1C[N@@H+](CCF)[C@H](C)CO1 ZINC000759348263 585370697 /nfs/dbraw/zinc/37/06/97/585370697.db2.gz SUSSMYGBABWAJF-OCCSQVGLSA-N 1 2 237.318 2.726 20 0 BFADLO CCC[C@H](C)c1noc(C[N@H+](CC)C2CC2)n1 ZINC000761846139 585420159 /nfs/dbraw/zinc/42/01/59/585420159.db2.gz SCGKEXABMUJPHA-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CCC[C@H](C)c1noc(C[N@@H+](CC)C2CC2)n1 ZINC000761846139 585420160 /nfs/dbraw/zinc/42/01/60/585420160.db2.gz SCGKEXABMUJPHA-JTQLQIEISA-N 1 2 237.347 2.958 20 0 BFADLO CC(C)CCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000762211304 585429183 /nfs/dbraw/zinc/42/91/83/585429183.db2.gz WHFWTAAOXCTFFU-LBPRGKRZSA-N 1 2 244.379 2.982 20 0 BFADLO Cc1cccc2c1CC[N@H+](Cc1cocn1)C2 ZINC000762988471 585440797 /nfs/dbraw/zinc/44/07/97/585440797.db2.gz AWMHMSZOHVWBIA-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1cccc2c1CC[N@@H+](Cc1cocn1)C2 ZINC000762988471 585440798 /nfs/dbraw/zinc/44/07/98/585440798.db2.gz AWMHMSZOHVWBIA-UHFFFAOYSA-N 1 2 228.295 2.541 20 0 BFADLO Cc1c[nH+]ccc1NC(=O)C(F)=C1CCCC1 ZINC000763043632 585442063 /nfs/dbraw/zinc/44/20/63/585442063.db2.gz HQFSYKGMXFYZCH-UHFFFAOYSA-N 1 2 234.274 2.548 20 0 BFADLO CCO[C@H]1CCC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000763562814 585450803 /nfs/dbraw/zinc/45/08/03/585450803.db2.gz YKQRPVXGYWMROI-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CCO[C@H]1CCC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000763562814 585450804 /nfs/dbraw/zinc/45/08/04/585450804.db2.gz YKQRPVXGYWMROI-MBACFSSFSA-N 1 2 238.158 2.806 20 0 BFADLO CC1(C)C[N@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000763564892 585450940 /nfs/dbraw/zinc/45/09/40/585450940.db2.gz XCVZTNJHDOUWES-TWGQIWQCSA-N 1 2 238.158 2.806 20 0 BFADLO CC1(C)C[N@@H+](C/C(Cl)=C/Cl)CCCO1 ZINC000763564892 585450941 /nfs/dbraw/zinc/45/09/41/585450941.db2.gz XCVZTNJHDOUWES-TWGQIWQCSA-N 1 2 238.158 2.806 20 0 BFADLO CC1(C)C[N@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000763564888 585451126 /nfs/dbraw/zinc/45/11/26/585451126.db2.gz XCVZTNJHDOUWES-RMKNXTFCSA-N 1 2 238.158 2.806 20 0 BFADLO CC1(C)C[N@@H+](C/C(Cl)=C\Cl)CCCO1 ZINC000763564888 585451127 /nfs/dbraw/zinc/45/11/27/585451127.db2.gz XCVZTNJHDOUWES-RMKNXTFCSA-N 1 2 238.158 2.806 20 0 BFADLO CCCCCO[NH+]=C(N)c1cccc(F)c1 ZINC000766742069 585507673 /nfs/dbraw/zinc/50/76/73/585507673.db2.gz RTYAMXSUEWJCTK-UHFFFAOYSA-N 1 2 224.279 2.862 20 0 BFADLO Cc1cc(NC(=O)NC[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000767894243 585527702 /nfs/dbraw/zinc/52/77/02/585527702.db2.gz MDTRVQIXWDSMIE-SNVBAGLBSA-N 1 2 249.358 2.616 20 0 BFADLO CC/C=C/CCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000768922186 585546082 /nfs/dbraw/zinc/54/60/82/585546082.db2.gz KICCWQMTTKWYMX-NNNHXZLVSA-N 1 2 242.363 2.902 20 0 BFADLO CC(C)(C)OCC(N)=[NH+]OCC1CCCCC1 ZINC000768932275 585546292 /nfs/dbraw/zinc/54/62/92/585546292.db2.gz NEMSYRGEOWQNHA-UHFFFAOYSA-N 1 2 242.363 2.880 20 0 BFADLO CC=CC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000769321316 585553824 /nfs/dbraw/zinc/55/38/24/585553824.db2.gz CZYKMPVCRHAZTK-ZZXKWVIFSA-N 1 2 241.294 2.900 20 0 BFADLO Cc1[nH]ncc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000769338631 585554337 /nfs/dbraw/zinc/55/43/37/585554337.db2.gz MXLBISYWPFVTMX-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Cc1[nH]ncc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000769338631 585554338 /nfs/dbraw/zinc/55/43/38/585554338.db2.gz MXLBISYWPFVTMX-UHFFFAOYSA-N 1 2 241.338 2.585 20 0 BFADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2cncnc2)c1 ZINC000769506213 585558455 /nfs/dbraw/zinc/55/84/55/585558455.db2.gz DFEUJFBCJNQNHG-CQSZACIVSA-N 1 2 243.285 2.563 20 0 BFADLO Fc1cccc([C@H]2CC[N@H+]2Cc2cncnc2)c1 ZINC000769506213 585558456 /nfs/dbraw/zinc/55/84/56/585558456.db2.gz DFEUJFBCJNQNHG-CQSZACIVSA-N 1 2 243.285 2.563 20 0 BFADLO CC(C)CC1CC[NH+](Cc2csnn2)CC1 ZINC000770347359 585573187 /nfs/dbraw/zinc/57/31/87/585573187.db2.gz APPQREAMZWNICH-UHFFFAOYSA-N 1 2 239.388 2.796 20 0 BFADLO C/C=C(/C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000770476462 585574630 /nfs/dbraw/zinc/57/46/30/585574630.db2.gz FDWJJDFNAGJXDO-VURMDHGXSA-N 1 2 218.300 2.912 20 0 BFADLO CCC(CC)C(=O)OCc1cccc2[nH+]ccn21 ZINC000770734890 585580941 /nfs/dbraw/zinc/58/09/41/585580941.db2.gz WYYUAAPPOKMMAM-UHFFFAOYSA-N 1 2 246.310 2.814 20 0 BFADLO CC1(C(=O)OCc2cccc3[nH+]ccn32)CCC1 ZINC000770926813 585584576 /nfs/dbraw/zinc/58/45/76/585584576.db2.gz SYIPFAYAFRKFSU-UHFFFAOYSA-N 1 2 244.294 2.568 20 0 BFADLO CCC/C(C)=C\C(=O)OCc1c[nH+]ccc1OC ZINC000805425953 585592008 /nfs/dbraw/zinc/59/20/08/585592008.db2.gz KNJVJPRIRYGKOB-FLIBITNWSA-N 1 2 249.310 2.880 20 0 BFADLO O=C(/C=C/C1CCCCC1)OCCn1cc[nH+]c1 ZINC000771967613 585605892 /nfs/dbraw/zinc/60/58/92/585605892.db2.gz GQEARJBMJMXRHJ-VOTSOKGWSA-N 1 2 248.326 2.563 20 0 BFADLO Cc1ccc(COC(=O)[C@@H]2C[C@@H]2C2CC2)c(C)[nH+]1 ZINC000772182807 585609386 /nfs/dbraw/zinc/60/93/86/585609386.db2.gz WASWUZDVFNPZKT-ZIAGYGMSSA-N 1 2 245.322 2.788 20 0 BFADLO Cc1ccc(COC(=O)C2(C)CCC2)c(C)[nH+]1 ZINC000772183151 585609589 /nfs/dbraw/zinc/60/95/89/585609589.db2.gz BARLOISYDRGUPR-UHFFFAOYSA-N 1 2 233.311 2.932 20 0 BFADLO Cc1ccc(COC(=O)C2(C)CC2)c(C)[nH+]1 ZINC000772187609 585609627 /nfs/dbraw/zinc/60/96/27/585609627.db2.gz LVJHRGLKWHHVPQ-UHFFFAOYSA-N 1 2 219.284 2.542 20 0 BFADLO COc1ccc([NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000776783080 585705558 /nfs/dbraw/zinc/70/55/58/585705558.db2.gz WCGBNYLKLIXGHU-NSHDSACASA-N 1 2 235.327 2.922 20 0 BFADLO CC(C)c1nc(N2CC[C@H](C)[C@@H](F)C2)cc[nH+]1 ZINC000778000118 585725099 /nfs/dbraw/zinc/72/50/99/585725099.db2.gz MONZFMPDGOSYDO-QWRGUYRKSA-N 1 2 237.322 2.784 20 0 BFADLO Cc1cc(OC(C)C)ccc1[NH2+][C@@H](C)CCO ZINC000779415245 585754051 /nfs/dbraw/zinc/75/40/51/585754051.db2.gz CVCCRKZBSKMGNN-LBPRGKRZSA-N 1 2 237.343 2.965 20 0 BFADLO CCCOc1ccc([NH2+][C@@H](C)CCO)c(C)c1 ZINC000779421043 585754750 /nfs/dbraw/zinc/75/47/50/585754750.db2.gz BOORJSBWBDTDHV-LBPRGKRZSA-N 1 2 237.343 2.967 20 0 BFADLO CCC(C)=C(C)C(=O)Nc1cc[nH+]cc1CC ZINC000779942821 585770354 /nfs/dbraw/zinc/77/03/54/585770354.db2.gz JFOZRBBNYCRLNA-KHPPLWFESA-N 1 2 232.327 2.751 20 0 BFADLO COc1cc[nH+]cc1COC(=O)C(C)(C)C1CC1 ZINC000805701812 585802975 /nfs/dbraw/zinc/80/29/75/585802975.db2.gz QZCIRTMHUFYXPO-UHFFFAOYSA-N 1 2 249.310 2.570 20 0 BFADLO CN(C)c1cc(CN(C)c2ccccc2)cc[nH+]1 ZINC000782175140 585809761 /nfs/dbraw/zinc/80/97/61/585809761.db2.gz QCPSFIKYEMKCGC-UHFFFAOYSA-N 1 2 241.338 2.784 20 0 BFADLO NC(Cc1cccc(F)c1)=[NH+]OC1CCCC1 ZINC000783159574 585828588 /nfs/dbraw/zinc/82/85/88/585828588.db2.gz YMVNRMCVVUFOCP-UHFFFAOYSA-N 1 2 236.290 2.809 20 0 BFADLO O=C(C[C@@H]1C=CCCC1)OCCCn1cc[nH+]c1 ZINC000784833452 585866366 /nfs/dbraw/zinc/86/63/66/585866366.db2.gz YTSATESRIOLGDW-CYBMUJFWSA-N 1 2 248.326 2.563 20 0 BFADLO CC/C(C)=C(/C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785422020 585873443 /nfs/dbraw/zinc/87/34/43/585873443.db2.gz YVBNCKAQUDENLI-JUDLJHIGSA-N 1 2 235.331 2.723 20 0 BFADLO CCC(C)=C(C)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000785422020 585873444 /nfs/dbraw/zinc/87/34/44/585873444.db2.gz YVBNCKAQUDENLI-JUDLJHIGSA-N 1 2 235.331 2.723 20 0 BFADLO COc1ccc[nH+]c1NCc1ccc(F)nc1C ZINC000785508735 585874936 /nfs/dbraw/zinc/87/49/36/585874936.db2.gz GWNSPMARNAXVEA-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CCC[C@@H](C)c1noc([C@H](C)[NH+](C)C)n1 ZINC000785585650 585876344 /nfs/dbraw/zinc/87/63/44/585876344.db2.gz MCVBVIHEMSNSBP-BDAKNGLRSA-N 1 2 211.309 2.596 20 0 BFADLO c1cn(Cc2cccc(-c3ccccn3)c2)c[nH+]1 ZINC000786042393 585886124 /nfs/dbraw/zinc/88/61/24/585886124.db2.gz UQIJELQSWPUXDW-UHFFFAOYSA-N 1 2 235.290 2.993 20 0 BFADLO Cc1nc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000787266796 585904112 /nfs/dbraw/zinc/90/41/12/585904112.db2.gz GPDHNIGATUIATD-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1nc(F)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000787266796 585904113 /nfs/dbraw/zinc/90/41/13/585904113.db2.gz GPDHNIGATUIATD-SKDRFNHKSA-N 1 2 240.297 2.709 20 0 BFADLO C/C=C(\CC)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000788874732 585931582 /nfs/dbraw/zinc/93/15/82/585931582.db2.gz LIBFEHLDOOQWPI-LFYBBSHMSA-N 1 2 249.358 2.512 20 0 BFADLO Cc1ccc(NC(=S)NC2(C)CC2)c(C)[nH+]1 ZINC000789267998 585938260 /nfs/dbraw/zinc/93/82/60/585938260.db2.gz DZFFCXQOIZMKDU-UHFFFAOYSA-N 1 2 235.356 2.537 20 0 BFADLO NC(=[NH+]OCCCCCF)c1ccccc1 ZINC000789573905 585943978 /nfs/dbraw/zinc/94/39/78/585943978.db2.gz ZERAVPFRMSWTJY-UHFFFAOYSA-N 1 2 224.279 2.673 20 0 BFADLO CCOC(=O)[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000789742893 585949205 /nfs/dbraw/zinc/94/92/05/585949205.db2.gz CWKUQKJGUAUTDX-KXXVWKPMSA-N 1 2 247.338 2.631 20 0 BFADLO CC(C(=O)OCc1cc[nH+]c(N)c1)=C1CCCC1 ZINC000791996401 585993053 /nfs/dbraw/zinc/99/30/53/585993053.db2.gz RILPIYNQEPMOTM-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO C[C@H]1C[C@H](C)[NH+]1Cc1c(Cl)nc(Cl)n1C ZINC000793220105 586014531 /nfs/dbraw/zinc/01/45/31/586014531.db2.gz JYMMGEOQWVQKAW-BQBZGAKWSA-N 1 2 248.157 2.710 20 0 BFADLO FC1(F)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC000793351931 586017168 /nfs/dbraw/zinc/01/71/68/586017168.db2.gz JGGJMVCUQFNSIN-UHFFFAOYSA-N 1 2 242.269 2.783 20 0 BFADLO Fc1cncc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000796451382 586103935 /nfs/dbraw/zinc/10/39/35/586103935.db2.gz VUOMHWKJEXZQEZ-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO Fc1cncc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000796451382 586103936 /nfs/dbraw/zinc/10/39/36/586103936.db2.gz VUOMHWKJEXZQEZ-SECBINFHSA-N 1 2 248.223 2.605 20 0 BFADLO CC1(C[NH2+]c2ccc(OCCCO)cc2)CC1 ZINC000796523390 586105873 /nfs/dbraw/zinc/10/58/73/586105873.db2.gz QTCNWHDBGDVDBI-UHFFFAOYSA-N 1 2 235.327 2.660 20 0 BFADLO CC(C)n1ccc(C[NH+]2CCC(F)(F)CC2)n1 ZINC000796539781 586106414 /nfs/dbraw/zinc/10/64/14/586106414.db2.gz OKUFCDTUYNYNKL-UHFFFAOYSA-N 1 2 243.301 2.695 20 0 BFADLO CCC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccn1 ZINC000796745865 586111323 /nfs/dbraw/zinc/11/13/23/586111323.db2.gz DOFIQXQRHVCGQJ-DGCLKSJQSA-N 1 2 244.342 2.997 20 0 BFADLO CC(C)=CC(=O)OCc1c[nH+]ccc1OC(C)C ZINC000806102102 586123028 /nfs/dbraw/zinc/12/30/28/586123028.db2.gz AZEYFIHXDSPPDQ-UHFFFAOYSA-N 1 2 249.310 2.878 20 0 BFADLO CC1=C[C@H](C)C[N@H+](Cn2ncsc2=S)C1 ZINC000797420209 586126929 /nfs/dbraw/zinc/12/69/29/586126929.db2.gz ZGSATWZGLJFWQY-QMMMGPOBSA-N 1 2 241.385 2.530 20 0 BFADLO CC1=C[C@H](C)C[N@@H+](Cn2ncsc2=S)C1 ZINC000797420209 586126930 /nfs/dbraw/zinc/12/69/30/586126930.db2.gz ZGSATWZGLJFWQY-QMMMGPOBSA-N 1 2 241.385 2.530 20 0 BFADLO C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCC1(C)C ZINC000799491200 586180536 /nfs/dbraw/zinc/18/05/36/586180536.db2.gz FMENTYWCBNDLER-NWDGAFQWSA-N 1 2 239.359 2.593 20 0 BFADLO C[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCC1(C)C ZINC000799491200 586180538 /nfs/dbraw/zinc/18/05/38/586180538.db2.gz FMENTYWCBNDLER-NWDGAFQWSA-N 1 2 239.359 2.593 20 0 BFADLO CC(C)OC[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000800247558 586206523 /nfs/dbraw/zinc/20/65/23/586206523.db2.gz XLXQQMWKBAVGBZ-GFCCVEGCSA-N 1 2 236.359 2.978 20 0 BFADLO FC(F)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000800533866 586224822 /nfs/dbraw/zinc/22/48/22/586224822.db2.gz TXNPPZWEPGLKPW-WDEREUQCSA-N 1 2 231.286 2.799 20 0 BFADLO FC(F)[C@H]1CCCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000800533866 586224823 /nfs/dbraw/zinc/22/48/23/586224823.db2.gz TXNPPZWEPGLKPW-WDEREUQCSA-N 1 2 231.286 2.799 20 0 BFADLO CCc1nc(Nc2cccc(CO)c2)cc(C)[nH+]1 ZINC000804327958 586391443 /nfs/dbraw/zinc/39/14/43/586391443.db2.gz ZMYCNTKFLZUZBM-UHFFFAOYSA-N 1 2 243.310 2.583 20 0 BFADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OC)c(CO)c1 ZINC000806158537 586406152 /nfs/dbraw/zinc/40/61/52/586406152.db2.gz ZTYXJHWHHAZHMA-ZWNOBZJWSA-N 1 2 235.327 2.788 20 0 BFADLO OCCOc1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000806157415 586406240 /nfs/dbraw/zinc/40/62/40/586406240.db2.gz RIQMEENCYWHLAU-CABCVRRESA-N 1 2 247.338 2.658 20 0 BFADLO CC[NH2+]Cc1noc([C@H](C)CC2CCCC2)n1 ZINC000843145227 586444730 /nfs/dbraw/zinc/44/47/30/586444730.db2.gz XWEIFWRUXYRIAS-SNVBAGLBSA-N 1 2 237.347 2.863 20 0 BFADLO CC[NH2+]Cc1noc([C@H](SCC)C(C)C)n1 ZINC000843145316 586445188 /nfs/dbraw/zinc/44/51/88/586445188.db2.gz IYNPOKGCRIISKK-SNVBAGLBSA-N 1 2 243.376 2.629 20 0 BFADLO COc1ccc(CC(N)=[NH+]OCC=C(C)C)cc1 ZINC000808253995 586468929 /nfs/dbraw/zinc/46/89/29/586468929.db2.gz YVPFSXNCGKFVIL-UHFFFAOYSA-N 1 2 248.326 2.702 20 0 BFADLO CC(C)Oc1cc[nH+]cc1COC(=O)C1=CCC1 ZINC000809239443 586502667 /nfs/dbraw/zinc/50/26/67/586502667.db2.gz DICJNXVJGGBBTC-UHFFFAOYSA-N 1 2 247.294 2.632 20 0 BFADLO Cc1ccccc1C[N@@H+]1Cc2ccncc2C1 ZINC000809566057 586507174 /nfs/dbraw/zinc/50/71/74/586507174.db2.gz VIIDARKZUOSBKO-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1ccccc1C[N@H+]1Cc2ccncc2C1 ZINC000809566057 586507175 /nfs/dbraw/zinc/50/71/75/586507175.db2.gz VIIDARKZUOSBKO-UHFFFAOYSA-N 1 2 224.307 2.906 20 0 BFADLO Cc1nonc1C[NH2+]Cc1ccccc1C1CC1 ZINC000809745498 586516857 /nfs/dbraw/zinc/51/68/57/586516857.db2.gz VWFNFZWQQAQPEM-UHFFFAOYSA-N 1 2 243.310 2.545 20 0 BFADLO Cc1c[nH]nc1CNc1ccc([NH+](C)C)c(C)c1 ZINC000810149248 586535173 /nfs/dbraw/zinc/53/51/73/586535173.db2.gz CUSHIRQHVNQMEI-UHFFFAOYSA-N 1 2 244.342 2.705 20 0 BFADLO O=C(CCCC1CC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000812542534 586578770 /nfs/dbraw/zinc/57/87/70/586578770.db2.gz FSHUOULNPOXESU-GFCCVEGCSA-N 1 2 247.342 2.654 20 0 BFADLO COc1ccc([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1CO ZINC000813868100 586608224 /nfs/dbraw/zinc/60/82/24/586608224.db2.gz RFOMUMDHFYTDPO-GBIKHYSHSA-N 1 2 235.327 2.644 20 0 BFADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)CCO)cc2)[C@H]1C ZINC000813867512 586608390 /nfs/dbraw/zinc/60/83/90/586608390.db2.gz KRDALFXEDKVYJM-XUJVJEKNSA-N 1 2 248.370 2.572 20 0 BFADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(OCCO)cc2)[C@H]1C ZINC000813866526 586608399 /nfs/dbraw/zinc/60/83/99/586608399.db2.gz RMBQREQGKMPANQ-UHIISALHSA-N 1 2 235.327 2.514 20 0 BFADLO Cc1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000814265024 586620637 /nfs/dbraw/zinc/62/06/37/586620637.db2.gz FICJJCLMJYGDNQ-UHFFFAOYSA-N 1 2 229.279 2.848 20 0 BFADLO CC(C)c1cnc(C[N@@H+]2C[C@H](C)[C@@H]2C)o1 ZINC000815164009 586671404 /nfs/dbraw/zinc/67/14/04/586671404.db2.gz YCTRLRIIYBKPSC-UWVGGRQHSA-N 1 2 208.305 2.638 20 0 BFADLO CC(C)c1cnc(C[N@H+]2C[C@H](C)[C@@H]2C)o1 ZINC000815164009 586671406 /nfs/dbraw/zinc/67/14/06/586671406.db2.gz YCTRLRIIYBKPSC-UWVGGRQHSA-N 1 2 208.305 2.638 20 0 BFADLO CNc1[nH+]c(C)ccc1C(=O)O[C@H]1CC[C@H](C)C1 ZINC000815190690 586673471 /nfs/dbraw/zinc/67/34/71/586673471.db2.gz ZTKKXRYKJLTGKN-ONGXEEELSA-N 1 2 248.326 2.777 20 0 BFADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000815585546 586687899 /nfs/dbraw/zinc/68/78/99/586687899.db2.gz KMCCTIKRPROPFV-SNVBAGLBSA-N 1 2 234.274 2.973 20 0 BFADLO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)CCF ZINC000816640041 586746693 /nfs/dbraw/zinc/74/66/93/586746693.db2.gz QOEKJFVJCZZJEN-UHFFFAOYSA-N 1 2 241.354 2.656 20 0 BFADLO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCF ZINC000816640041 586746696 /nfs/dbraw/zinc/74/66/96/586746696.db2.gz QOEKJFVJCZZJEN-UHFFFAOYSA-N 1 2 241.354 2.656 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000816646487 586749176 /nfs/dbraw/zinc/74/91/76/586749176.db2.gz DVQKYLFPDMCRSM-NKWVEPMBSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1c(Cl)nc(Cl)n1C ZINC000816646487 586749178 /nfs/dbraw/zinc/74/91/78/586749178.db2.gz DVQKYLFPDMCRSM-NKWVEPMBSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@H]1C[N@H+](Cc2c(Cl)nc(Cl)n2C)[C@H]1C ZINC000816646486 586749472 /nfs/dbraw/zinc/74/94/72/586749472.db2.gz DVQKYLFPDMCRSM-BQBZGAKWSA-N 1 2 248.157 2.567 20 0 BFADLO C[C@H]1C[N@@H+](Cc2c(Cl)nc(Cl)n2C)[C@H]1C ZINC000816646486 586749473 /nfs/dbraw/zinc/74/94/73/586749473.db2.gz DVQKYLFPDMCRSM-BQBZGAKWSA-N 1 2 248.157 2.567 20 0 BFADLO C/C(=C/C(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000816719426 586760082 /nfs/dbraw/zinc/76/00/82/586760082.db2.gz ZNHUMUSJKXNVFR-HSTULFTRSA-N 1 2 235.331 2.579 20 0 BFADLO CC(=CC(=O)N[C@H](C)c1[nH]cc[nH+]1)C(C)(C)C ZINC000816719426 586760084 /nfs/dbraw/zinc/76/00/84/586760084.db2.gz ZNHUMUSJKXNVFR-HSTULFTRSA-N 1 2 235.331 2.579 20 0 BFADLO COc1cccc2c1C[N@H+](C/C=C\Cl)C2 ZINC000859939289 589072255 /nfs/dbraw/zinc/07/22/55/589072255.db2.gz UDANKHIUQJFKOM-UTCJRWHESA-N 1 2 223.703 2.763 20 0 BFADLO COc1cccc2c1C[N@@H+](C/C=C\Cl)C2 ZINC000859939289 589072256 /nfs/dbraw/zinc/07/22/56/589072256.db2.gz UDANKHIUQJFKOM-UTCJRWHESA-N 1 2 223.703 2.763 20 0 BFADLO CC(F)(F)C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819331914 586953214 /nfs/dbraw/zinc/95/32/14/586953214.db2.gz FZQWQMZSNIYXSP-JTQLQIEISA-N 1 2 249.688 2.618 20 0 BFADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccns1 ZINC000860058390 589077543 /nfs/dbraw/zinc/07/75/43/589077543.db2.gz LGAXHWIFMAFOMA-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO CCC(CC)[C@H](C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819778580 586993374 /nfs/dbraw/zinc/99/33/74/586993374.db2.gz ZQZTWTDDESCPHE-BDAKNGLRSA-N 1 2 242.388 2.666 20 0 BFADLO CC[C@H](CC(C)C)C(=O)NC1=[NH+]C[C@@H](C)S1 ZINC000819781444 586994297 /nfs/dbraw/zinc/99/42/97/586994297.db2.gz OKBDSDNLKRBINV-NXEZZACHSA-N 1 2 242.388 2.666 20 0 BFADLO CC(C)CCCCC(=O)NC1=[NH+]C[C@H](C)S1 ZINC000819782326 586994622 /nfs/dbraw/zinc/99/46/22/586994622.db2.gz SPWYWQGBAOZKGC-JTQLQIEISA-N 1 2 242.388 2.810 20 0 BFADLO CSC(C)(C)CCNc1ccc(CO)c[nH+]1 ZINC000820892552 587080049 /nfs/dbraw/zinc/08/00/49/587080049.db2.gz VNUDIEIKVKAFRA-UHFFFAOYSA-N 1 2 240.372 2.518 20 0 BFADLO C[C@@H]1C[C@@H](NC(=O)CCC2(C)CC2)c2[nH+]ccn21 ZINC000821786205 587137998 /nfs/dbraw/zinc/13/79/98/587137998.db2.gz JYVOKXQONYYNGO-GHMZBOCLSA-N 1 2 247.342 2.585 20 0 BFADLO Cc1cc(C)c(CNC(=O)CCC2(C)CC2)c[nH+]1 ZINC000822012260 587149054 /nfs/dbraw/zinc/14/90/54/587149054.db2.gz NCDXSASTJVKYCT-UHFFFAOYSA-N 1 2 246.354 2.895 20 0 BFADLO CCC[C@@H](CC)C(=O)N[C@@H](CC)c1[nH]cc[nH+]1 ZINC000822008813 587149350 /nfs/dbraw/zinc/14/93/50/587149350.db2.gz WRBWSLRCQSHLRH-MNOVXSKESA-N 1 2 237.347 2.803 20 0 BFADLO C/C=C(\C)C(=O)OCc1[nH]c[nH+]c1C(C)(C)C ZINC000822310909 587161916 /nfs/dbraw/zinc/16/19/16/587161916.db2.gz GPAJDMFEHNJBER-RMKNXTFCSA-N 1 2 236.315 2.717 20 0 BFADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1C=CCC1 ZINC000823312553 587215823 /nfs/dbraw/zinc/21/58/23/587215823.db2.gz ZDDDGISXMOCRKF-LLVKDONJSA-N 1 2 231.299 2.539 20 0 BFADLO CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(F)F ZINC000824510587 587272742 /nfs/dbraw/zinc/27/27/42/587272742.db2.gz WXPYVPMSNTUTKW-MRVPVSSYSA-N 1 2 234.677 2.868 20 0 BFADLO Cn1cc[nH+]c1[C@H]1N(Cc2ccoc2)CC1(C)C ZINC000824620613 587280026 /nfs/dbraw/zinc/28/00/26/587280026.db2.gz WGCJQRCOPUMDAQ-GFCCVEGCSA-N 1 2 245.326 2.596 20 0 BFADLO CC[C@@H](C)N(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824652219 587281673 /nfs/dbraw/zinc/28/16/73/587281673.db2.gz XPZBUVUFJSDJAD-SNVBAGLBSA-N 1 2 245.326 2.824 20 0 BFADLO CC[C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000824916760 587293547 /nfs/dbraw/zinc/29/35/47/587293547.db2.gz ITYSRNRMXDQAEV-JTQLQIEISA-N 1 2 245.326 2.729 20 0 BFADLO COc1ccc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1CO ZINC000825003035 587297965 /nfs/dbraw/zinc/29/79/65/587297965.db2.gz ORYFXXWFMOTLKM-SWHYSGLUSA-N 1 2 247.338 2.788 20 0 BFADLO OCCOc1ccc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000825018647 587298953 /nfs/dbraw/zinc/29/89/53/587298953.db2.gz ANXFDRONMLFXCI-UGFHNGPFSA-N 1 2 247.338 2.658 20 0 BFADLO C[C@@H](CC(=O)NCCCCC1CC1)n1cc[nH+]c1 ZINC000825661580 587329896 /nfs/dbraw/zinc/32/98/96/587329896.db2.gz KFIRMFFISZDJJU-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO C[C@H]([NH2+]C(CF)CF)c1cc2cnccc2o1 ZINC000826030098 587349093 /nfs/dbraw/zinc/34/90/93/587349093.db2.gz OPVXTWWWKDUGTH-QMMMGPOBSA-N 1 2 240.253 2.786 20 0 BFADLO CCCC[C@@](C)(F)C(=O)Nc1cc[nH+]cc1C ZINC000826765901 587361509 /nfs/dbraw/zinc/36/15/09/587361509.db2.gz ICEXXQJMUBPNAW-CYBMUJFWSA-N 1 2 238.306 2.669 20 0 BFADLO C[N@H+](Cc1ccon1)C[C@@]1(C)CC1(Cl)Cl ZINC000827878311 587407198 /nfs/dbraw/zinc/40/71/98/587407198.db2.gz RVEJVKZZHMNLKR-SECBINFHSA-N 1 2 249.141 2.690 20 0 BFADLO C[N@@H+](Cc1ccon1)C[C@@]1(C)CC1(Cl)Cl ZINC000827878311 587407199 /nfs/dbraw/zinc/40/71/99/587407199.db2.gz RVEJVKZZHMNLKR-SECBINFHSA-N 1 2 249.141 2.690 20 0 BFADLO CC(C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1)=C1CCC1 ZINC000828316319 587434249 /nfs/dbraw/zinc/43/42/49/587434249.db2.gz GXWXHCAIOTYHHV-LBPRGKRZSA-N 1 2 245.326 2.574 20 0 BFADLO Cc1cccc(N(C)Cc2c[nH+]c[nH]2)c1C ZINC000000006301 587481973 /nfs/dbraw/zinc/48/19/73/587481973.db2.gz DYJINKSZPLJTCL-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO Cc1cccc(N(C)Cc2c[nH]c[nH+]2)c1C ZINC000000006301 587481975 /nfs/dbraw/zinc/48/19/75/587481975.db2.gz DYJINKSZPLJTCL-UHFFFAOYSA-N 1 2 215.300 2.663 20 0 BFADLO CN(C)c1cc(CSC2CCC2)cc[nH+]1 ZINC000829742212 587512522 /nfs/dbraw/zinc/51/25/22/587512522.db2.gz JOGLASVQDXIKSN-UHFFFAOYSA-N 1 2 222.357 2.933 20 0 BFADLO CC[N@H+](CCSC)C/C(Cl)=C\Cl ZINC000830999037 587581214 /nfs/dbraw/zinc/58/12/14/587581214.db2.gz CAUAIRSWCLMQBV-SOFGYWHQSA-N 1 2 228.188 2.990 20 0 BFADLO CC[N@@H+](CCSC)C/C(Cl)=C\Cl ZINC000830999037 587581217 /nfs/dbraw/zinc/58/12/17/587581217.db2.gz CAUAIRSWCLMQBV-SOFGYWHQSA-N 1 2 228.188 2.990 20 0 BFADLO Cn1cc[nH+]c1CN(c1ccccc1)C1CC1 ZINC000832156703 587647090 /nfs/dbraw/zinc/64/70/90/587647090.db2.gz NJRCMJAJIBFSGJ-UHFFFAOYSA-N 1 2 227.311 2.589 20 0 BFADLO CCCC(CCC)C(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000833284033 587704912 /nfs/dbraw/zinc/70/49/12/587704912.db2.gz GNCOZDFGCYRJBD-GFCCVEGCSA-N 1 2 249.358 2.661 20 0 BFADLO CCCn1cc(N[C@H](C)c2[nH+]ccn2CC)cn1 ZINC000834730459 587764961 /nfs/dbraw/zinc/76/49/61/587764961.db2.gz XYUBDKZDKBCRAP-LLVKDONJSA-N 1 2 247.346 2.683 20 0 BFADLO CCC[C@@H](C)[NH2+]c1ccc(O[C@@H]2CC(=O)N2)cc1 ZINC000834891185 587769755 /nfs/dbraw/zinc/76/97/55/587769755.db2.gz ABOLWCNNKZYMBI-QMTHXVAHSA-N 1 2 248.326 2.512 20 0 BFADLO CCc1nc(C[NH2+][C@H](C)c2ccc(C)o2)co1 ZINC000834899691 587770088 /nfs/dbraw/zinc/77/00/88/587770088.db2.gz JLADMKOORHYKEM-SNVBAGLBSA-N 1 2 234.299 2.989 20 0 BFADLO C[C@H]1C[C@H](NC(=O)C=C2CCCC2)c2[nH+]ccn21 ZINC000836957206 587843693 /nfs/dbraw/zinc/84/36/93/587843693.db2.gz ZUUINLCULMHBCK-JQWIXIFHSA-N 1 2 245.326 2.506 20 0 BFADLO CCC(=CC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)CC ZINC000836954688 587843728 /nfs/dbraw/zinc/84/37/28/587843728.db2.gz MWDYQQNKMUCWAA-PWSUYJOCSA-N 1 2 247.342 2.752 20 0 BFADLO CC(C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)=C1CCC1 ZINC000836962493 587844341 /nfs/dbraw/zinc/84/43/41/587844341.db2.gz ZUOUHDRAVYMRIN-SKDRFNHKSA-N 1 2 245.326 2.506 20 0 BFADLO Cc1cc(C)c(CNC(=O)C[C@H](C)C2CC2)c[nH+]1 ZINC000837104405 587853974 /nfs/dbraw/zinc/85/39/74/587853974.db2.gz WTPSFDNWOKJXPR-NSHDSACASA-N 1 2 246.354 2.751 20 0 BFADLO CC(C)C[C@H](C)OC(=O)c1ccc2[nH+]ccn2c1 ZINC000837516568 587879681 /nfs/dbraw/zinc/87/96/81/587879681.db2.gz XUYPZINRYGBQDJ-NSHDSACASA-N 1 2 246.310 2.926 20 0 BFADLO CC(C)CCCCC(=O)N[C@@H]1CCn2cc[nH+]c21 ZINC000837676575 587890407 /nfs/dbraw/zinc/89/04/07/587890407.db2.gz PBYKMMGMYTYCFM-GFCCVEGCSA-N 1 2 249.358 2.661 20 0 BFADLO C[C@H]1CCC[C@]1(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837934165 587903854 /nfs/dbraw/zinc/90/38/54/587903854.db2.gz NUIOHTAQZIOIJV-HZMBPMFUSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CCC[C@]1(C)C(=O)OCc1cc[nH+]c(N)c1 ZINC000837934171 587903917 /nfs/dbraw/zinc/90/39/17/587903917.db2.gz NUIOHTAQZIOIJV-YGRLFVJLSA-N 1 2 248.326 2.533 20 0 BFADLO COc1ccc([NH2+]CC2(C)CCC2)cc1N ZINC000841040997 587938753 /nfs/dbraw/zinc/93/87/53/587938753.db2.gz XFGHJXIZLMHSAN-UHFFFAOYSA-N 1 2 220.316 2.880 20 0 BFADLO CC(C)CO[C@H](C)C(N)=[NH+]O[C@H](C)CC(C)C ZINC000842032759 587991225 /nfs/dbraw/zinc/99/12/25/587991225.db2.gz HELORXRJYRBZNV-VXGBXAGGSA-N 1 2 244.379 2.981 20 0 BFADLO Cc1[nH+]cccc1NCc1ccnn1CC(C)C ZINC000842693899 588053466 /nfs/dbraw/zinc/05/34/66/588053466.db2.gz SRKSPLKKKBWSIR-UHFFFAOYSA-N 1 2 244.342 2.855 20 0 BFADLO CC[NH2+]Cc1noc(C2(CC(C)C)CCC2)n1 ZINC000843144873 588087154 /nfs/dbraw/zinc/08/71/54/588087154.db2.gz MSMCBINFZWOIEV-UHFFFAOYSA-N 1 2 237.347 2.647 20 0 BFADLO Cc1cccc(OC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000844268625 588178092 /nfs/dbraw/zinc/17/80/92/588178092.db2.gz NKVCNHVFRQKJBD-LBPRGKRZSA-N 1 2 244.294 2.748 20 0 BFADLO FC1(F)[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC000844456252 588196280 /nfs/dbraw/zinc/19/62/80/588196280.db2.gz FLIWSSIQIFZSEW-WHVBEXDMSA-N 1 2 228.069 2.502 20 0 BFADLO FC1(F)[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC000844456252 588196281 /nfs/dbraw/zinc/19/62/81/588196281.db2.gz FLIWSSIQIFZSEW-WHVBEXDMSA-N 1 2 228.069 2.502 20 0 BFADLO C[C@@H](CC(=O)O[C@@H](C)C1CCC1)n1cc[nH+]c1 ZINC000845481163 588230192 /nfs/dbraw/zinc/23/01/92/588230192.db2.gz YYKJAQGMHOWPCQ-QWRGUYRKSA-N 1 2 236.315 2.566 20 0 BFADLO CCC[C@H](CC)OC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845492766 588230579 /nfs/dbraw/zinc/23/05/79/588230579.db2.gz HVEQFUOQNZRLKF-RYUDHWBXSA-N 1 2 238.331 2.956 20 0 BFADLO C[C@H](CC(=O)OCCC1CCC1)n1cc[nH+]c1 ZINC000845510446 588231349 /nfs/dbraw/zinc/23/13/49/588231349.db2.gz CQIHFEZSLLIWKA-LLVKDONJSA-N 1 2 236.315 2.568 20 0 BFADLO C[C@@H](CC(=O)OCC1(C)CCC1)n1cc[nH+]c1 ZINC000845533685 588232601 /nfs/dbraw/zinc/23/26/01/588232601.db2.gz YWESFDQQCLXKFA-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO CCC(CC)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845554874 588233489 /nfs/dbraw/zinc/23/34/89/588233489.db2.gz OZDXNUYDXICWDT-LLVKDONJSA-N 1 2 238.331 2.814 20 0 BFADLO CSc1ccc[nH+]c1NC[C@H]1CCC=CO1 ZINC000846061888 588254829 /nfs/dbraw/zinc/25/48/29/588254829.db2.gz WGQPPZYLERULRP-SNVBAGLBSA-N 1 2 236.340 2.908 20 0 BFADLO C/C(=C\C(C)(C)C)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000846244626 588262668 /nfs/dbraw/zinc/26/26/68/588262668.db2.gz LVMHXJNSULMWRP-MDZDMXLPSA-N 1 2 249.358 2.753 20 0 BFADLO C[C@H]([NH2+]c1ccc2c(c1)C[C@@H](C)O2)[C@H]1CCOC1 ZINC000846755315 588285876 /nfs/dbraw/zinc/28/58/76/588285876.db2.gz GQLAUVOLXFGBAN-WOPDTQHZSA-N 1 2 247.338 2.847 20 0 BFADLO CC[N@H+](CCc1ccccc1)Cc1cnsn1 ZINC000846774826 588287291 /nfs/dbraw/zinc/28/72/91/588287291.db2.gz XPYBOKBIWDZGKT-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO CC[N@@H+](CCc1ccccc1)Cc1cnsn1 ZINC000846774826 588287292 /nfs/dbraw/zinc/28/72/92/588287292.db2.gz XPYBOKBIWDZGKT-UHFFFAOYSA-N 1 2 247.367 2.603 20 0 BFADLO C[C@H]1CCC[C@H]([N@H+](C)Cc2cnsn2)C1 ZINC000846775043 588287659 /nfs/dbraw/zinc/28/76/59/588287659.db2.gz VRESIVWSZQEUCM-ONGXEEELSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cnsn2)C1 ZINC000846775043 588287660 /nfs/dbraw/zinc/28/76/60/588287660.db2.gz VRESIVWSZQEUCM-ONGXEEELSA-N 1 2 225.361 2.549 20 0 BFADLO C[C@@H](C[N@H+](C)Cc1cnsn1)c1ccccc1 ZINC000846795070 588288790 /nfs/dbraw/zinc/28/87/90/588288790.db2.gz HJRUESVVDSGDHO-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO C[C@@H](C[N@@H+](C)Cc1cnsn1)c1ccccc1 ZINC000846795070 588288791 /nfs/dbraw/zinc/28/87/91/588288791.db2.gz HJRUESVVDSGDHO-NSHDSACASA-N 1 2 247.367 2.774 20 0 BFADLO c1nsnc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000846809361 588290306 /nfs/dbraw/zinc/29/03/06/588290306.db2.gz ROYQCTLVSRZHGC-CYBMUJFWSA-N 1 2 249.383 2.860 20 0 BFADLO c1nsnc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000846809361 588290307 /nfs/dbraw/zinc/29/03/07/588290307.db2.gz ROYQCTLVSRZHGC-CYBMUJFWSA-N 1 2 249.383 2.860 20 0 BFADLO CC(C)C[C@@H]1CCC[N@H+](Cc2cnsn2)C1 ZINC000846815110 588290792 /nfs/dbraw/zinc/29/07/92/588290792.db2.gz JCCSMFYCAANAIR-NSHDSACASA-N 1 2 239.388 2.796 20 0 BFADLO CC(C)C[C@@H]1CCC[N@@H+](Cc2cnsn2)C1 ZINC000846815110 588290793 /nfs/dbraw/zinc/29/07/93/588290793.db2.gz JCCSMFYCAANAIR-NSHDSACASA-N 1 2 239.388 2.796 20 0 BFADLO CC[C@](C)([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846845457 588292957 /nfs/dbraw/zinc/29/29/57/588292957.db2.gz WLLBYCAHQITPJC-ZDUSSCGKSA-N 1 2 247.367 2.953 20 0 BFADLO CCCCOC(=O)C(C)(C)[NH2+]Cc1ccccc1 ZINC000847062600 588305585 /nfs/dbraw/zinc/30/55/85/588305585.db2.gz HXBWOKBMGJRJBZ-UHFFFAOYSA-N 1 2 249.354 2.898 20 0 BFADLO CC(C)OCC(N)=[NH+]OCCC(C)(C)C1CC1 ZINC000848509246 588388399 /nfs/dbraw/zinc/38/83/99/588388399.db2.gz LYYSPDRWMXWAHM-UHFFFAOYSA-N 1 2 242.363 2.736 20 0 BFADLO COc1c(C)[nH+]cnc1N1CCCCCCC1 ZINC000848639938 588403181 /nfs/dbraw/zinc/40/31/81/588403181.db2.gz GMODCFGUHDNKNW-UHFFFAOYSA-N 1 2 235.331 2.564 20 0 BFADLO COc1cc(C)c(C)cc1[NH2+]CCC1(O)CC1 ZINC000849318408 588472139 /nfs/dbraw/zinc/47/21/39/588472139.db2.gz NZLVXRWNWZSNIQ-UHFFFAOYSA-N 1 2 235.327 2.639 20 0 BFADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)CC(C)(C)O1 ZINC000851736225 588620346 /nfs/dbraw/zinc/62/03/46/588620346.db2.gz HTUOPTNPBDNHAP-MRVPVSSYSA-N 1 2 238.158 2.805 20 0 BFADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)CC(C)(C)O1 ZINC000851736225 588620347 /nfs/dbraw/zinc/62/03/47/588620347.db2.gz HTUOPTNPBDNHAP-MRVPVSSYSA-N 1 2 238.158 2.805 20 0 BFADLO Cc1occc1C[N@@H+](C)Cc1cccc(F)n1 ZINC000851735175 588620629 /nfs/dbraw/zinc/62/06/29/588620629.db2.gz CYCQURLPKNRJOF-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO Cc1occc1C[N@H+](C)Cc1cccc(F)n1 ZINC000851735175 588620630 /nfs/dbraw/zinc/62/06/30/588620630.db2.gz CYCQURLPKNRJOF-UHFFFAOYSA-N 1 2 234.274 2.754 20 0 BFADLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cnon1 ZINC000851772852 588626096 /nfs/dbraw/zinc/62/60/96/588626096.db2.gz MWCKOVSLYQEVCP-AWEZNQCLSA-N 1 2 243.310 2.579 20 0 BFADLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cnon1 ZINC000851772852 588626097 /nfs/dbraw/zinc/62/60/97/588626097.db2.gz MWCKOVSLYQEVCP-AWEZNQCLSA-N 1 2 243.310 2.579 20 0 BFADLO C[C@H]1CSCC[N@@H+]1CC=C(Cl)Cl ZINC000851778024 588626737 /nfs/dbraw/zinc/62/67/37/588626737.db2.gz CROXXKRCXSBYHB-ZETCQYMHSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@H]1CSCC[N@H+]1CC=C(Cl)Cl ZINC000851778024 588626738 /nfs/dbraw/zinc/62/67/38/588626738.db2.gz CROXXKRCXSBYHB-ZETCQYMHSA-N 1 2 226.172 2.743 20 0 BFADLO C[C@H]([NH2+]Cc1cnon1)c1ccc(Cl)cc1 ZINC000851819400 588633537 /nfs/dbraw/zinc/63/35/37/588633537.db2.gz CGDAMIWNOGSQID-QMMMGPOBSA-N 1 2 237.690 2.574 20 0 BFADLO FC(F)C[N@H+](CCOC(F)F)CC1CCC1 ZINC000851880469 588639209 /nfs/dbraw/zinc/63/92/09/588639209.db2.gz ADNWGHIIUCAEAP-UHFFFAOYSA-N 1 2 243.244 2.593 20 0 BFADLO FC(F)C[N@@H+](CCOC(F)F)CC1CCC1 ZINC000851880469 588639210 /nfs/dbraw/zinc/63/92/10/588639210.db2.gz ADNWGHIIUCAEAP-UHFFFAOYSA-N 1 2 243.244 2.593 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1nccs1 ZINC000851930841 588644757 /nfs/dbraw/zinc/64/47/57/588644757.db2.gz DRTRXGVZWYLCGN-QMMMGPOBSA-N 1 2 249.339 2.859 20 0 BFADLO CC(C)C1([NH2+]CC(F)(F)Br)CC1 ZINC000852092712 588661227 /nfs/dbraw/zinc/66/12/27/588661227.db2.gz YTAUSJREXBIAON-UHFFFAOYSA-N 1 2 242.107 2.752 20 0 BFADLO CC[N@H+](C/C=C\Cl)[C@H](C)C(=O)OC(C)(C)C ZINC000852306791 588677635 /nfs/dbraw/zinc/67/76/35/588677635.db2.gz RRTFTDYQLMJPCJ-GQYWMQPJSA-N 1 2 247.766 2.791 20 0 BFADLO CC[N@@H+](C/C=C\Cl)[C@H](C)C(=O)OC(C)(C)C ZINC000852306791 588677636 /nfs/dbraw/zinc/67/76/36/588677636.db2.gz RRTFTDYQLMJPCJ-GQYWMQPJSA-N 1 2 247.766 2.791 20 0 BFADLO c1nsnc1C[NH+]1CCC(C2CCC2)CC1 ZINC000852408462 588680850 /nfs/dbraw/zinc/68/08/50/588680850.db2.gz ZAXPFQGFEGHYTO-UHFFFAOYSA-N 1 2 237.372 2.550 20 0 BFADLO CC(C)[C@@H]([NH2+]Cc1cnon1)c1ccccc1F ZINC000852448355 588682619 /nfs/dbraw/zinc/68/26/19/588682619.db2.gz KCTWCVDZTORWMQ-CYBMUJFWSA-N 1 2 249.289 2.696 20 0 BFADLO FCC[C@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000852532388 588688361 /nfs/dbraw/zinc/68/83/61/588688361.db2.gz HHHIYEOLBIOVSV-MRVPVSSYSA-N 1 2 245.235 2.958 20 0 BFADLO FCC[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000852532388 588688362 /nfs/dbraw/zinc/68/83/62/588688362.db2.gz HHHIYEOLBIOVSV-MRVPVSSYSA-N 1 2 245.235 2.958 20 0 BFADLO Cc1c(C[N@H+]2CC[C@H](C)[C@H](F)C2)ccnc1F ZINC000862301999 589200874 /nfs/dbraw/zinc/20/08/74/589200874.db2.gz VPFOSVJVXCTGSO-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO Cc1c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)ccnc1F ZINC000862301999 589200875 /nfs/dbraw/zinc/20/08/75/589200875.db2.gz VPFOSVJVXCTGSO-JOYOIKCWSA-N 1 2 240.297 2.709 20 0 BFADLO F[C@@H]1CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000862402667 589209282 /nfs/dbraw/zinc/20/92/82/589209282.db2.gz QPEAWIYACYZDIK-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO F[C@@H]1CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000862402667 589209283 /nfs/dbraw/zinc/20/92/83/589209283.db2.gz QPEAWIYACYZDIK-LLVKDONJSA-N 1 2 228.698 2.669 20 0 BFADLO COC1(C(N)=[NH+]OCCC=C(C)C)CCCC1 ZINC000863477587 589291955 /nfs/dbraw/zinc/29/19/55/589291955.db2.gz QEMBPSXVOVOROA-UHFFFAOYSA-N 1 2 240.347 2.800 20 0 BFADLO Cc1cnc(F)cc1-c1c[nH+]c2n1CCCC2 ZINC000863975545 589331393 /nfs/dbraw/zinc/33/13/93/589331393.db2.gz DQTXMUPNUOEXIC-UHFFFAOYSA-N 1 2 231.274 2.729 20 0 BFADLO C[C@H](O)c1ccc(N(C)C[C@H]2CC2(C)C)[nH+]c1 ZINC000864088389 589342706 /nfs/dbraw/zinc/34/27/06/589342706.db2.gz AMPOEQKRYWPTBE-CMPLNLGQSA-N 1 2 234.343 2.617 20 0 BFADLO Cc1cc(CSCCCn2cc[nH+]c2)no1 ZINC000865358460 589425300 /nfs/dbraw/zinc/42/53/00/589425300.db2.gz BILMVELAZWXBNG-UHFFFAOYSA-N 1 2 237.328 2.503 20 0 BFADLO C[C@H]1CC[C@@H](Cn2c[nH+]c(C(C)(C)C)c2)O1 ZINC000865376281 589428403 /nfs/dbraw/zinc/42/84/03/589428403.db2.gz HHHWMDJVKOFDFX-QWRGUYRKSA-N 1 2 222.332 2.748 20 0 BFADLO CC(C)(C)c1cn(Cc2cncc(F)c2)c[nH+]1 ZINC000865376492 589428701 /nfs/dbraw/zinc/42/87/01/589428701.db2.gz PHRKFWZMOXHVNQ-UHFFFAOYSA-N 1 2 233.290 2.763 20 0 BFADLO Cc1cnc(Cn2c[nH+]c(C(C)(C)C)c2)s1 ZINC000865376582 589428753 /nfs/dbraw/zinc/42/87/53/589428753.db2.gz UZSWQBNTIDXTRX-UHFFFAOYSA-N 1 2 235.356 2.994 20 0 BFADLO CCOC1CC(Cn2c[nH+]c(C(C)(C)C)c2)C1 ZINC000865376672 589428793 /nfs/dbraw/zinc/42/87/93/589428793.db2.gz YFMAERCVGLWPCZ-UHFFFAOYSA-N 1 2 236.359 2.996 20 0 BFADLO COc1cc(Cn2c[nH+]c(C(C)(C)C)c2)ccn1 ZINC000865376572 589428807 /nfs/dbraw/zinc/42/88/07/589428807.db2.gz UOEAMTWTMFGKAD-UHFFFAOYSA-N 1 2 245.326 2.633 20 0 BFADLO Cc1cc(Cn2c[nH+]c(C(C)(C)C)c2)nc(C)n1 ZINC000865376537 589428844 /nfs/dbraw/zinc/42/88/44/589428844.db2.gz RVOXXLNZUNPYER-UHFFFAOYSA-N 1 2 244.342 2.636 20 0 BFADLO CCc1csc(SCc2[nH+]ccn2C)n1 ZINC000865386900 589430468 /nfs/dbraw/zinc/43/04/68/589430468.db2.gz SWDSTQPFKRKLEY-UHFFFAOYSA-N 1 2 239.369 2.731 20 0 BFADLO Clc1cncc(Cl)c1C[NH+]1CCCC1 ZINC000865406464 589433842 /nfs/dbraw/zinc/43/38/42/589433842.db2.gz VBFCARWVEPHDMJ-UHFFFAOYSA-N 1 2 231.126 2.984 20 0 BFADLO COCCCCNc1cc(CC(C)C)[nH+]cn1 ZINC000865445136 589436606 /nfs/dbraw/zinc/43/66/06/589436606.db2.gz KMJSXQVQTHMDGQ-UHFFFAOYSA-N 1 2 237.347 2.514 20 0 BFADLO Cc1c(Cl)cccc1C[NH2+]Cc1ccn[nH]1 ZINC000865455351 589437062 /nfs/dbraw/zinc/43/70/62/589437062.db2.gz ZEEDUOYHGMPGHR-UHFFFAOYSA-N 1 2 235.718 2.661 20 0 BFADLO Cc1occc1CNc1ccc([C@@H](C)O)c[nH+]1 ZINC000865460268 589437891 /nfs/dbraw/zinc/43/78/91/589437891.db2.gz QEQAQFXVNGLCOW-SECBINFHSA-N 1 2 232.283 2.648 20 0 BFADLO Cc1cc(C(F)(F)F)c[nH+]c1NCC[C@@H](C)O ZINC000865539375 589444880 /nfs/dbraw/zinc/44/48/80/589444880.db2.gz QRCUYIWLHZXDBZ-MRVPVSSYSA-N 1 2 248.248 2.592 20 0 BFADLO CC(F)(F)C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865579656 589448521 /nfs/dbraw/zinc/44/85/21/589448521.db2.gz BAXXCYMBQDJFQE-UHFFFAOYSA-N 1 2 238.640 2.619 20 0 BFADLO CC(C)Cc1cc(N[C@@H]2CCOC[C@@H]2C)nc[nH+]1 ZINC000865728413 589458785 /nfs/dbraw/zinc/45/87/85/589458785.db2.gz CZPKFCGOKOPGOK-WCQYABFASA-N 1 2 249.358 2.512 20 0 BFADLO C[C@H](O)c1ccc(N2CC(C)(C)C[C@H]2C)[nH+]c1 ZINC000865882187 589467319 /nfs/dbraw/zinc/46/73/19/589467319.db2.gz RTWPBDYTNICWFU-MNOVXSKESA-N 1 2 234.343 2.760 20 0 BFADLO C[C@@H](O)c1ccc(NCC2CC=CC2)[nH+]c1 ZINC000865966441 589470701 /nfs/dbraw/zinc/47/07/01/589470701.db2.gz XFLGFEYZUGFWJG-SNVBAGLBSA-N 1 2 218.300 2.513 20 0 BFADLO COc1ccc[nH+]c1N[C@@H]1CCCC[C@@H]1F ZINC000866046237 589473861 /nfs/dbraw/zinc/47/38/61/589473861.db2.gz VWXJZHWLVDAVQV-VHSXEESVSA-N 1 2 224.279 2.783 20 0 BFADLO CO[C@H]1CC[C@H](C)N(c2cc[nH+]c(C(C)C)n2)C1 ZINC000866071239 589474789 /nfs/dbraw/zinc/47/47/89/589474789.db2.gz NPRIIKMGDPTPOM-RYUDHWBXSA-N 1 2 249.358 2.604 20 0 BFADLO F[C@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000866240740 589482073 /nfs/dbraw/zinc/48/20/73/589482073.db2.gz MOYMENBINWPUNQ-JSGCOSHPSA-N 1 2 247.269 2.841 20 0 BFADLO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000866492341 589497349 /nfs/dbraw/zinc/49/73/49/589497349.db2.gz MMRKFMHDGRKVMM-HWNAMQAFSA-N 1 2 244.338 2.929 20 0 BFADLO COCC[C@@H](C)[NH2+]c1ccc(N(C)C)c(F)c1 ZINC000866624318 589505877 /nfs/dbraw/zinc/50/58/77/589505877.db2.gz HFYYMAOWWNYDDF-SNVBAGLBSA-N 1 2 240.322 2.729 20 0 BFADLO COC[C@H]([NH2+]Cc1cc(C)oc1C)c1ccco1 ZINC000121203058 589517971 /nfs/dbraw/zinc/51/79/71/589517971.db2.gz GXWHFCWMQPZBDU-ZDUSSCGKSA-N 1 2 249.310 2.967 20 0 BFADLO CC[N@H+](C)[C@H](C(=O)OCC(C)C)c1ccccc1 ZINC000121782963 589532330 /nfs/dbraw/zinc/53/23/30/589532330.db2.gz OWSGUQDZPOJNFC-AWEZNQCLSA-N 1 2 249.354 2.879 20 0 BFADLO CC[N@@H+](C)[C@H](C(=O)OCC(C)C)c1ccccc1 ZINC000121782963 589532331 /nfs/dbraw/zinc/53/23/31/589532331.db2.gz OWSGUQDZPOJNFC-AWEZNQCLSA-N 1 2 249.354 2.879 20 0 BFADLO C[C@@H]([NH2+]Cc1ccon1)c1ccnc(Cl)c1 ZINC000122431562 589589622 /nfs/dbraw/zinc/58/96/22/589589622.db2.gz VPTBBGAZMRAHJT-MRVPVSSYSA-N 1 2 237.690 2.574 20 0 BFADLO C[C@@H](CC(=O)OCCCC1CC1)n1cc[nH+]c1 ZINC000869546210 589613111 /nfs/dbraw/zinc/61/31/11/589613111.db2.gz SYSIIGFQQFTCEG-NSHDSACASA-N 1 2 236.315 2.568 20 0 BFADLO CC1=C(Cc2ccccc2)SC2=[NH+]CCN12 ZINC000871599963 589772561 /nfs/dbraw/zinc/77/25/61/589772561.db2.gz HEGUPXFDTVPBMR-UHFFFAOYSA-N 1 2 230.336 2.879 20 0 BFADLO C[C@H](CO[NH+]=C(N)Cc1cccnc1)C(C)(C)C ZINC000871737485 589802120 /nfs/dbraw/zinc/80/21/20/589802120.db2.gz HXDWYZCHPYRUIG-LLVKDONJSA-N 1 2 249.358 2.805 20 0 BFADLO COC1(C(N)=[NH+]OC2CC(C)(C)C2)CCCC1 ZINC000871761550 589808712 /nfs/dbraw/zinc/80/87/12/589808712.db2.gz AKZDEPDMCIAOQA-UHFFFAOYSA-N 1 2 240.347 2.633 20 0 BFADLO CC[C@@H]([NH2+][C@H](C)C(F)(F)F)[C@H]1CCCOC1 ZINC000872082317 589866025 /nfs/dbraw/zinc/86/60/25/589866025.db2.gz UMWCFRDUAKXKLB-KXUCPTDWSA-N 1 2 239.281 2.732 20 0 BFADLO Cc1csc([C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000872733935 589965396 /nfs/dbraw/zinc/96/53/96/589965396.db2.gz SCGQWUIXEWHGNY-LLVKDONJSA-N 1 2 245.351 2.840 20 0 BFADLO CCc1cc(N[C@H](C)CCSC)nc[nH+]1 ZINC000124758157 590081461 /nfs/dbraw/zinc/08/14/61/590081461.db2.gz RUTLWGGLGFXWSX-SECBINFHSA-N 1 2 225.361 2.593 20 0 BFADLO C[C@@H](O)c1ccc(N2CCCC[C@H]2C)[nH+]c1 ZINC000124894001 590098161 /nfs/dbraw/zinc/09/81/61/590098161.db2.gz VEPBAOKESOVFNU-GHMZBOCLSA-N 1 2 220.316 2.514 20 0 BFADLO CC[C@H](C)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124911690 590098721 /nfs/dbraw/zinc/09/87/21/590098721.db2.gz DGNBLYDCTBFWFN-QWRGUYRKSA-N 1 2 222.332 2.617 20 0 BFADLO Cc1cnc(C[NH2+][C@@H]2COc3ccc(C)cc32)o1 ZINC000877099818 590283017 /nfs/dbraw/zinc/28/30/17/590283017.db2.gz NWHMJNICJLYPFZ-GFCCVEGCSA-N 1 2 244.294 2.515 20 0 BFADLO Cc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)sn1 ZINC000877344545 590319170 /nfs/dbraw/zinc/31/91/70/590319170.db2.gz IMUULMQDWSGZBC-NSHDSACASA-N 1 2 248.355 2.512 20 0 BFADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+]C(CF)CF ZINC000877559815 590358528 /nfs/dbraw/zinc/35/85/28/590358528.db2.gz WZKYWFMSKFOSTN-GWCFXTLKSA-N 1 2 243.297 2.660 20 0 BFADLO CCc1cc[nH+]cc1NCc1ccc(Cl)nn1 ZINC000877613350 590373901 /nfs/dbraw/zinc/37/39/01/590373901.db2.gz FXYSKJVNAFQJKA-UHFFFAOYSA-N 1 2 248.717 2.700 20 0 BFADLO Cc1ccc(C[NH2+]Cc2cc(F)ncc2F)o1 ZINC000877698150 590393480 /nfs/dbraw/zinc/39/34/80/590393480.db2.gz RDAAMSWNJDRJSJ-UHFFFAOYSA-N 1 2 238.237 2.551 20 0 BFADLO COc1cccc(C[N@H+](C)Cc2nocc2C)c1 ZINC000877931205 590449777 /nfs/dbraw/zinc/44/97/77/590449777.db2.gz INKWLZUXZZISRM-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C[N@@H+](C)Cc2nocc2C)c1 ZINC000877931205 590449778 /nfs/dbraw/zinc/44/97/78/590449778.db2.gz INKWLZUXZZISRM-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nocc2C)on1 ZINC000877970922 590462482 /nfs/dbraw/zinc/46/24/82/590462482.db2.gz DNMYEINUHOTHNZ-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2nocc2C)on1 ZINC000877970922 590462483 /nfs/dbraw/zinc/46/24/83/590462483.db2.gz DNMYEINUHOTHNZ-LBPRGKRZSA-N 1 2 247.298 2.617 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1nocc1C ZINC000878033568 590475907 /nfs/dbraw/zinc/47/59/07/590475907.db2.gz ZIMFPAMBZRNYBF-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1nocc1C ZINC000878033568 590475909 /nfs/dbraw/zinc/47/59/09/590475909.db2.gz ZIMFPAMBZRNYBF-UHFFFAOYSA-N 1 2 236.237 2.757 20 0 BFADLO CCC[N@H+](CCCOC(F)(F)F)CC(F)F ZINC000878033315 590476329 /nfs/dbraw/zinc/47/63/29/590476329.db2.gz UURMZULPGBMEPH-UHFFFAOYSA-N 1 2 249.223 2.890 20 0 BFADLO CCC[N@@H+](CCCOC(F)(F)F)CC(F)F ZINC000878033315 590476330 /nfs/dbraw/zinc/47/63/30/590476330.db2.gz UURMZULPGBMEPH-UHFFFAOYSA-N 1 2 249.223 2.890 20 0 BFADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000878101212 590493702 /nfs/dbraw/zinc/49/37/02/590493702.db2.gz OYWCSWUPBIMUKS-ZDUSSCGKSA-N 1 2 239.265 2.691 20 0 BFADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000878101212 590493704 /nfs/dbraw/zinc/49/37/04/590493704.db2.gz OYWCSWUPBIMUKS-ZDUSSCGKSA-N 1 2 239.265 2.691 20 0 BFADLO C=C/C=C/CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000878113793 590496975 /nfs/dbraw/zinc/49/69/75/590496975.db2.gz NOAARWMFJYACBF-ITDFMYJTSA-N 1 2 233.311 2.785 20 0 BFADLO C=C/C=C/CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000878113793 590496978 /nfs/dbraw/zinc/49/69/78/590496978.db2.gz NOAARWMFJYACBF-ITDFMYJTSA-N 1 2 233.311 2.785 20 0 BFADLO C[C@@H]1CSCC[N@@H+]1Cc1scnc1Cl ZINC000878122183 590499252 /nfs/dbraw/zinc/49/92/52/590499252.db2.gz XRVILCMUIHROFR-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO C[C@@H]1CSCC[N@H+]1Cc1scnc1Cl ZINC000878122183 590499254 /nfs/dbraw/zinc/49/92/54/590499254.db2.gz XRVILCMUIHROFR-SSDOTTSWSA-N 1 2 248.804 2.734 20 0 BFADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242214 590528534 /nfs/dbraw/zinc/52/85/34/590528534.db2.gz HKSRFOZGQHXXFB-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO Cc1conc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000878242214 590528537 /nfs/dbraw/zinc/52/85/37/590528537.db2.gz HKSRFOZGQHXXFB-NSHDSACASA-N 1 2 246.310 2.882 20 0 BFADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878314941 590541758 /nfs/dbraw/zinc/54/17/58/590541758.db2.gz AWJDDZXRAIKWAT-ZETCQYMHSA-N 1 2 231.208 2.916 20 0 BFADLO CCC(F)(F)C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000878314941 590541759 /nfs/dbraw/zinc/54/17/59/590541759.db2.gz AWJDDZXRAIKWAT-ZETCQYMHSA-N 1 2 231.208 2.916 20 0 BFADLO FC(F)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000878321255 590545297 /nfs/dbraw/zinc/54/52/97/590545297.db2.gz UNUVPUCQLPEGLZ-VIFPVBQESA-N 1 2 242.269 2.639 20 0 BFADLO FC(F)[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000878321255 590545298 /nfs/dbraw/zinc/54/52/98/590545298.db2.gz UNUVPUCQLPEGLZ-VIFPVBQESA-N 1 2 242.269 2.639 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc2c(o1)CCCC2 ZINC000878533961 590588253 /nfs/dbraw/zinc/58/82/53/590588253.db2.gz UQSSXHOUAWWKSX-NXEZZACHSA-N 1 2 220.316 2.536 20 0 BFADLO CC1(C)CCC[C@H](C[N@@H+]2Cc3cccnc3C2)O1 ZINC000878547875 590590126 /nfs/dbraw/zinc/59/01/26/590590126.db2.gz BSVMERZGWXYDDC-CYBMUJFWSA-N 1 2 246.354 2.745 20 0 BFADLO CC1(C)CCC[C@H](C[N@H+]2Cc3cccnc3C2)O1 ZINC000878547875 590590128 /nfs/dbraw/zinc/59/01/28/590590128.db2.gz BSVMERZGWXYDDC-CYBMUJFWSA-N 1 2 246.354 2.745 20 0 BFADLO CC1(C)CC[C@H](C[N@@H+]2Cc3ccncc3C2)OC1 ZINC000878608796 590595773 /nfs/dbraw/zinc/59/57/73/590595773.db2.gz DINPEVJOSZIOJM-CQSZACIVSA-N 1 2 246.354 2.602 20 0 BFADLO CC1(C)CC[C@H](C[N@H+]2Cc3ccncc3C2)OC1 ZINC000878608796 590595775 /nfs/dbraw/zinc/59/57/75/590595775.db2.gz DINPEVJOSZIOJM-CQSZACIVSA-N 1 2 246.354 2.602 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)nc1Cl ZINC000878661623 590604344 /nfs/dbraw/zinc/60/43/44/590604344.db2.gz FUMTVZPLSPVXNM-SECBINFHSA-N 1 2 228.698 2.587 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)nc1Cl ZINC000878661623 590604345 /nfs/dbraw/zinc/60/43/45/590604345.db2.gz FUMTVZPLSPVXNM-SECBINFHSA-N 1 2 228.698 2.587 20 0 BFADLO C=C/C=C\CC[N@@H+](C)Cc1noc(C2CC2)n1 ZINC000878715448 590615116 /nfs/dbraw/zinc/61/51/16/590615116.db2.gz ONTAZRHPFXKHBV-PLNGDYQASA-N 1 2 233.315 2.511 20 0 BFADLO C=C/C=C\CC[N@H+](C)Cc1noc(C2CC2)n1 ZINC000878715448 590615118 /nfs/dbraw/zinc/61/51/18/590615118.db2.gz ONTAZRHPFXKHBV-PLNGDYQASA-N 1 2 233.315 2.511 20 0 BFADLO CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000878776846 590621224 /nfs/dbraw/zinc/62/12/24/590621224.db2.gz RGZDZGWKTAEUBK-SMDDNHRTSA-N 1 2 249.358 2.585 20 0 BFADLO CCc1nc(C)c(C[N@@H+]2CCC=C(Cl)C2)o1 ZINC000878790765 590622538 /nfs/dbraw/zinc/62/25/38/590622538.db2.gz UZSNJYBUPFABQF-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO CCc1nc(C)c(C[N@H+]2CCC=C(Cl)C2)o1 ZINC000878790765 590622540 /nfs/dbraw/zinc/62/25/40/590622540.db2.gz UZSNJYBUPFABQF-UHFFFAOYSA-N 1 2 240.734 2.874 20 0 BFADLO C[C@H](c1cccnc1)[N@@H+]1CCC=C(Cl)C1 ZINC000878793552 590624030 /nfs/dbraw/zinc/62/40/30/590624030.db2.gz GZFDMFDNIHGDHN-SNVBAGLBSA-N 1 2 222.719 2.971 20 0 BFADLO C[C@H](c1cccnc1)[N@H+]1CCC=C(Cl)C1 ZINC000878793552 590624032 /nfs/dbraw/zinc/62/40/32/590624032.db2.gz GZFDMFDNIHGDHN-SNVBAGLBSA-N 1 2 222.719 2.971 20 0 BFADLO FC1(F)CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878804634 590625576 /nfs/dbraw/zinc/62/55/76/590625576.db2.gz TZBHPKVLXRNQHY-LLVKDONJSA-N 1 2 245.313 2.819 20 0 BFADLO FC1(F)CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878804634 590625577 /nfs/dbraw/zinc/62/55/77/590625577.db2.gz TZBHPKVLXRNQHY-LLVKDONJSA-N 1 2 245.313 2.819 20 0 BFADLO CC[C@](C)([NH2+]Cc1cnon1)c1ccc(F)cc1 ZINC000879128695 590698897 /nfs/dbraw/zinc/69/88/97/590698897.db2.gz PNLPYBOCJUZDKO-ZDUSSCGKSA-N 1 2 249.289 2.624 20 0 BFADLO Cc1nccnc1[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000880108221 590927166 /nfs/dbraw/zinc/92/71/66/590927166.db2.gz QOONIMBGXNNJIT-HXOPTJOXSA-N 1 2 246.141 2.755 20 0 BFADLO FC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000880236852 590968411 /nfs/dbraw/zinc/96/84/11/590968411.db2.gz KOSKAVRKBJTKMQ-QMMMGPOBSA-N 1 2 248.754 2.978 20 0 BFADLO FC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000880236852 590968413 /nfs/dbraw/zinc/96/84/13/590968413.db2.gz KOSKAVRKBJTKMQ-QMMMGPOBSA-N 1 2 248.754 2.978 20 0 BFADLO CC(C)(C)c1cnc(C[NH+]2CCC(F)CC2)o1 ZINC000880242944 590976468 /nfs/dbraw/zinc/97/64/68/590976468.db2.gz QXGQGBXXVKQZBN-UHFFFAOYSA-N 1 2 240.322 2.906 20 0 BFADLO Cc1coc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000880323682 591005886 /nfs/dbraw/zinc/00/58/86/591005886.db2.gz UUQBVHVZOKETRS-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccn(C)n1 ZINC000880376299 591016393 /nfs/dbraw/zinc/01/63/93/591016393.db2.gz FUSHAULUJZXNPZ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccn(C)n1 ZINC000880376299 591016397 /nfs/dbraw/zinc/01/63/97/591016397.db2.gz FUSHAULUJZXNPZ-SNVBAGLBSA-N 1 2 247.367 2.601 20 0 BFADLO Cc1nonc1C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880375946 591017099 /nfs/dbraw/zinc/01/70/99/591017099.db2.gz ADPPWSVDGGVVSO-SECBINFHSA-N 1 2 249.339 2.559 20 0 BFADLO Cc1nonc1C[N@H+]1CCc2ccsc2[C@H]1C ZINC000880375946 591017101 /nfs/dbraw/zinc/01/71/01/591017101.db2.gz ADPPWSVDGGVVSO-SECBINFHSA-N 1 2 249.339 2.559 20 0 BFADLO c1nonc1C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536462 591086456 /nfs/dbraw/zinc/08/64/56/591086456.db2.gz LKUCFYZVHNJYFC-HZMBPMFUSA-N 1 2 241.294 2.504 20 0 BFADLO c1nonc1C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536462 591086460 /nfs/dbraw/zinc/08/64/60/591086460.db2.gz LKUCFYZVHNJYFC-HZMBPMFUSA-N 1 2 241.294 2.504 20 0 BFADLO COCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881735706 591267976 /nfs/dbraw/zinc/26/79/76/591267976.db2.gz PLUCUIFHWUUPRD-UHFFFAOYSA-N 1 2 234.274 2.822 20 0 BFADLO Cc1[nH+]cnc(NCCc2cccs2)c1C ZINC000881763375 591269231 /nfs/dbraw/zinc/26/92/31/591269231.db2.gz VZPOHFFFIZXPMH-UHFFFAOYSA-N 1 2 233.340 2.810 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2CC2(Cl)Cl)c1C ZINC000881769764 591269950 /nfs/dbraw/zinc/26/99/50/591269950.db2.gz SURVKFCPYWTTLM-MRVPVSSYSA-N 1 2 246.141 2.699 20 0 BFADLO Cc1[nH+]cnc(NC[C@H]2Cc3ccccc32)c1C ZINC000881832727 591273777 /nfs/dbraw/zinc/27/37/77/591273777.db2.gz GTRCGIVCNVLXSO-CYBMUJFWSA-N 1 2 239.322 2.845 20 0 BFADLO Cc1[nH+]cnc(NC[C@@H]2Cc3ccccc32)c1C ZINC000881832728 591274137 /nfs/dbraw/zinc/27/41/37/591274137.db2.gz GTRCGIVCNVLXSO-ZDUSSCGKSA-N 1 2 239.322 2.845 20 0 BFADLO CCCCC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000881844732 591274584 /nfs/dbraw/zinc/27/45/84/591274584.db2.gz SAQYIUVUVMULIP-LLVKDONJSA-N 1 2 222.332 2.955 20 0 BFADLO CCCCC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000881844733 591274601 /nfs/dbraw/zinc/27/46/01/591274601.db2.gz SAQYIUVUVMULIP-NSHDSACASA-N 1 2 222.332 2.955 20 0 BFADLO CS[C@H]1CC[C@H](Nc2nc[nH+]c(C)c2C)C1 ZINC000882028561 591288729 /nfs/dbraw/zinc/28/87/29/591288729.db2.gz XXXMINLPGAATFT-QWRGUYRKSA-N 1 2 237.372 2.789 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@@H](C(C)C)C2)c1C ZINC000882078278 591294846 /nfs/dbraw/zinc/29/48/46/591294846.db2.gz QJUMLCHSBNQZIK-GFCCVEGCSA-N 1 2 219.332 2.576 20 0 BFADLO CC(C)CC1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000882091988 591296072 /nfs/dbraw/zinc/29/60/72/591296072.db2.gz XXDSAJDCJKMQEW-UHFFFAOYSA-N 1 2 248.370 2.836 20 0 BFADLO Cc1[nH+]cnc(N[C@@H]2CCC(F)(F)C2)c1C ZINC000882099977 591298065 /nfs/dbraw/zinc/29/80/65/591298065.db2.gz WRAIBZHBGQGCCI-SECBINFHSA-N 1 2 227.258 2.693 20 0 BFADLO CCC1(O)CCC(Nc2nc[nH+]c(C)c2C)CC1 ZINC000882158077 591308339 /nfs/dbraw/zinc/30/83/39/591308339.db2.gz PQTSYGHGERPRRM-UHFFFAOYSA-N 1 2 249.358 2.589 20 0 BFADLO COC1(CNc2nc[nH+]c(C)c2C)CCCCC1 ZINC000882200510 591315265 /nfs/dbraw/zinc/31/52/65/591315265.db2.gz FVWBIQBXRQBPHH-UHFFFAOYSA-N 1 2 249.358 2.855 20 0 BFADLO CCc1csc(SCc2cn(C)c[nH+]2)n1 ZINC000882281268 591326064 /nfs/dbraw/zinc/32/60/64/591326064.db2.gz BUZGQDMKZRLSAJ-UHFFFAOYSA-N 1 2 239.369 2.731 20 0 BFADLO CC(C)[C@H](O)CCn1c[nH+]c(C(C)(C)C)c1 ZINC000882280746 591326167 /nfs/dbraw/zinc/32/61/67/591326167.db2.gz JMQGORMVTKQTNJ-LLVKDONJSA-N 1 2 224.348 2.588 20 0 BFADLO CCSCCCNc1nc[nH+]c(C)c1C ZINC000882313507 591328525 /nfs/dbraw/zinc/32/85/25/591328525.db2.gz SAIKJUPKQLOOII-UHFFFAOYSA-N 1 2 225.361 2.649 20 0 BFADLO Cc1[nH+]cnc(N2C[C@@H]3CCCC[C@@H]3C2)c1C ZINC000882421370 591345783 /nfs/dbraw/zinc/34/57/83/591345783.db2.gz VEUNKIWHXJDGNH-BETUJISGSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1ccc(CNc2nc[nH+]c(C)c2C)nc1C ZINC000882440955 591349386 /nfs/dbraw/zinc/34/93/86/591349386.db2.gz DJNCLMUPKMVGRF-UHFFFAOYSA-N 1 2 242.326 2.717 20 0 BFADLO Cc1[nH+]cnc(N2CC[C@H](C3CCC3)C2)c1C ZINC000882467371 591353524 /nfs/dbraw/zinc/35/35/24/591353524.db2.gz ZVRHHIULUPYRTN-ZDUSSCGKSA-N 1 2 231.343 2.720 20 0 BFADLO Cc1[nH+]cnc(NCCC(C)(C)F)c1C ZINC000882618477 591400360 /nfs/dbraw/zinc/40/03/60/591400360.db2.gz UVHRWVJJCDBIIN-UHFFFAOYSA-N 1 2 211.284 2.644 20 0 BFADLO Cc1[nH+]cnc(NC[C@]2(C)CC2(F)F)c1C ZINC000882620445 591401248 /nfs/dbraw/zinc/40/12/48/591401248.db2.gz JXYZNZHXGLRPSJ-JTQLQIEISA-N 1 2 227.258 2.551 20 0 BFADLO CCC(F)(F)CNc1nc[nH+]c(C)c1C ZINC000882653033 591407256 /nfs/dbraw/zinc/40/72/56/591407256.db2.gz SXXBNZREJKXPLG-UHFFFAOYSA-N 1 2 215.247 2.551 20 0 BFADLO Cc1ccc(CNc2nc[nH+]c(C)c2C)o1 ZINC000882686355 591411623 /nfs/dbraw/zinc/41/16/23/591411623.db2.gz DTJWJLKSNAPEQR-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1cc(Cl)ccc1C[NH2+]Cc1ccon1 ZINC000129934871 591422436 /nfs/dbraw/zinc/42/24/36/591422436.db2.gz MOBTXHODRKCEKA-UHFFFAOYSA-N 1 2 236.702 2.926 20 0 BFADLO C[C@@H](O)c1ccc(N(C)Cc2ccsc2)[nH+]c1 ZINC000213233482 591455677 /nfs/dbraw/zinc/45/56/77/591455677.db2.gz CQLGYHGXPBSUBO-SNVBAGLBSA-N 1 2 248.351 2.833 20 0 BFADLO C[C@H](O)c1ccc(N2C[C@H](C)C[C@H](C)C2)[nH+]c1 ZINC000213233174 591455682 /nfs/dbraw/zinc/45/56/82/591455682.db2.gz CYNWHPGPUMLPJW-TUAOUCFPSA-N 1 2 234.343 2.617 20 0 BFADLO C[C@@H](O)c1ccc(N2CCCCCCC2)[nH+]c1 ZINC000213226905 591455840 /nfs/dbraw/zinc/45/58/40/591455840.db2.gz MZPHLEAGWHZDLN-GFCCVEGCSA-N 1 2 234.343 2.905 20 0 BFADLO Cc1ccc(CNc2cc(C)[nH+]cn2)c(Cl)n1 ZINC000882881785 591461113 /nfs/dbraw/zinc/46/11/13/591461113.db2.gz DKNPKNHIUJIFQM-UHFFFAOYSA-N 1 2 248.717 2.754 20 0 BFADLO OCc1cc[nH+]c(N[C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000882908004 591473331 /nfs/dbraw/zinc/47/33/31/591473331.db2.gz ZBUDYQLSQSERDW-RWMBFGLXSA-N 1 2 232.327 2.565 20 0 BFADLO CCc1[nH+]c(C)ccc1OCC[C@H](O)C(C)C ZINC000882988838 591496849 /nfs/dbraw/zinc/49/68/49/591496849.db2.gz KARHOKAERNPINJ-ZDUSSCGKSA-N 1 2 237.343 2.738 20 0 BFADLO CC(C)c1c[nH]c(CN[C@@H]2CCCC2(F)F)[nH+]1 ZINC000883120914 591543275 /nfs/dbraw/zinc/54/32/75/591543275.db2.gz RCSXAGVTEHGQTE-SNVBAGLBSA-N 1 2 243.301 2.811 20 0 BFADLO Cc1occc1C[NH2+]C1(c2ncccn2)CCC1 ZINC000883305732 591611170 /nfs/dbraw/zinc/61/11/70/591611170.db2.gz DAFSZBGFCAWFOR-UHFFFAOYSA-N 1 2 243.310 2.547 20 0 BFADLO COc1cc(CNc2c[nH+]c(C)c(C)c2)sn1 ZINC000883341261 591620019 /nfs/dbraw/zinc/62/00/19/591620019.db2.gz LPNVCYBEZRESKC-UHFFFAOYSA-N 1 2 249.339 2.776 20 0 BFADLO Cc1cc(N[C@@H]2CCCOCC2)c[nH+]c1C ZINC000883342148 591621785 /nfs/dbraw/zinc/62/17/85/591621785.db2.gz LYZUFKAVPFVDDB-GFCCVEGCSA-N 1 2 220.316 2.679 20 0 BFADLO Cc1cc(N[C@H](C)[C@H]2CCCO2)c[nH+]c1C ZINC000883342547 591622130 /nfs/dbraw/zinc/62/21/30/591622130.db2.gz CHSXZGZVHDTDRX-DGCLKSJQSA-N 1 2 220.316 2.678 20 0 BFADLO Cc1cc(N[C@H](C)CCn2cccn2)c[nH+]c1C ZINC000883342151 591622262 /nfs/dbraw/zinc/62/22/62/591622262.db2.gz MBVRDCHLLRSEOS-GFCCVEGCSA-N 1 2 244.342 2.786 20 0 BFADLO Cc1cc(N[C@H](C)CCCCO)c[nH+]c1C ZINC000883342770 591623190 /nfs/dbraw/zinc/62/31/90/591623190.db2.gz LOMWUIXSDHNLMI-LLVKDONJSA-N 1 2 222.332 2.661 20 0 BFADLO CCSCc1ccc[nH+]c1N[C@H]1CCOC1 ZINC000883377681 591636916 /nfs/dbraw/zinc/63/69/16/591636916.db2.gz NMQQVPHSAWWMHV-NSHDSACASA-N 1 2 238.356 2.536 20 0 BFADLO C[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)C(F)F ZINC000883400077 591646975 /nfs/dbraw/zinc/64/69/75/591646975.db2.gz CWNFHWCEJWCMCA-HTRCEHHLSA-N 1 2 246.688 2.966 20 0 BFADLO COC[C@@H](C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000131817617 591666264 /nfs/dbraw/zinc/66/62/64/591666264.db2.gz QCBZQOSRGNTOQB-ZDUSSCGKSA-N 1 2 248.370 2.981 20 0 BFADLO COC[C@@H](C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000131817617 591666268 /nfs/dbraw/zinc/66/62/68/591666268.db2.gz QCBZQOSRGNTOQB-ZDUSSCGKSA-N 1 2 248.370 2.981 20 0 BFADLO COc1ccc([NH2+][C@@H](C)C(C)C)cc1CO ZINC000134496658 591931371 /nfs/dbraw/zinc/93/13/71/591931371.db2.gz FSOCYJLDLIPUGL-JTQLQIEISA-N 1 2 223.316 2.644 20 0 BFADLO CCc1nc(N2CC(C)(C)[C@H]2C2CC2)cc[nH+]1 ZINC000884511440 591960902 /nfs/dbraw/zinc/96/09/02/591960902.db2.gz GXRLSIZZDGBORY-CYBMUJFWSA-N 1 2 231.343 2.664 20 0 BFADLO CCc1nc(N[C@H]2CCC2(C)C)cc[nH+]1 ZINC000884508587 591961129 /nfs/dbraw/zinc/96/11/29/591961129.db2.gz IPPXKKIUDZVFQV-VIFPVBQESA-N 1 2 205.305 2.640 20 0 BFADLO CCOC1(CNc2cc[nH+]c(CC)n2)CCCC1 ZINC000884516680 591963137 /nfs/dbraw/zinc/96/31/37/591963137.db2.gz QTYLKFUSMCVNBA-UHFFFAOYSA-N 1 2 249.358 2.800 20 0 BFADLO CCCc1ncc(CNc2cc[nH+]c(CC)n2)o1 ZINC000884522715 591965987 /nfs/dbraw/zinc/96/59/87/591965987.db2.gz FVBKLSRAKZSRRJ-UHFFFAOYSA-N 1 2 246.314 2.592 20 0 BFADLO CCc1nc(NCc2ccc(C)c(C)n2)cc[nH+]1 ZINC000884526821 591966356 /nfs/dbraw/zinc/96/63/56/591966356.db2.gz DNXVULIHHQCXER-UHFFFAOYSA-N 1 2 242.326 2.663 20 0 BFADLO CCc1nc(N[C@H](C)c2ncccc2F)cc[nH+]1 ZINC000884527006 591966628 /nfs/dbraw/zinc/96/66/28/591966628.db2.gz HUTKNPOZSUGOHH-SECBINFHSA-N 1 2 246.289 2.746 20 0 BFADLO CCc1nc(N2CC(C)(C)C[C@H]2C)cc[nH+]1 ZINC000884531104 591969077 /nfs/dbraw/zinc/96/90/77/591969077.db2.gz CWOSCSMMWFKVAM-SNVBAGLBSA-N 1 2 219.332 2.664 20 0 BFADLO CCc1nc(NC[C@H](CC(C)C)OC)cc[nH+]1 ZINC000884532708 591969572 /nfs/dbraw/zinc/96/95/72/591969572.db2.gz OUHGOIUWUJUWPX-NSHDSACASA-N 1 2 237.347 2.512 20 0 BFADLO Cc1cc(NCc2cc(C)[nH+]c(C)c2)nc(F)n1 ZINC000884533787 591969913 /nfs/dbraw/zinc/96/99/13/591969913.db2.gz QUQLCIGAPZWONY-UHFFFAOYSA-N 1 2 246.289 2.548 20 0 BFADLO CCc1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000884543770 591973686 /nfs/dbraw/zinc/97/36/86/591973686.db2.gz NCVRCEYVCZLKHM-GMTAPVOTSA-N 1 2 217.316 2.640 20 0 BFADLO CCc1nc(N[C@H](CC)[C@H]2CCCCO2)cc[nH+]1 ZINC000884548314 591976365 /nfs/dbraw/zinc/97/63/65/591976365.db2.gz HTWSBCKKDIRUNQ-VXGBXAGGSA-N 1 2 249.358 2.799 20 0 BFADLO CCc1nc(N[C@H](CC)C2CC2)cc[nH+]1 ZINC000884557807 591978520 /nfs/dbraw/zinc/97/85/20/591978520.db2.gz ZYWHPALUJILMJW-SNVBAGLBSA-N 1 2 205.305 2.640 20 0 BFADLO C=C/C=C\CCOC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000884566664 591983079 /nfs/dbraw/zinc/98/30/79/591983079.db2.gz QAOMSODZQGSELK-RXNFCKPNSA-N 1 2 234.299 2.510 20 0 BFADLO CCc1nc(NC[C@H]2CCC(C)(C)CO2)cc[nH+]1 ZINC000884580735 591986493 /nfs/dbraw/zinc/98/64/93/591986493.db2.gz KIWQEJZDHOGTDE-LLVKDONJSA-N 1 2 249.358 2.656 20 0 BFADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000885979949 592119827 /nfs/dbraw/zinc/11/98/27/592119827.db2.gz PWGBDQCLQNFBFB-ZFWWWQNUSA-N 1 2 231.339 2.858 20 0 BFADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000885979949 592119828 /nfs/dbraw/zinc/11/98/28/592119828.db2.gz PWGBDQCLQNFBFB-ZFWWWQNUSA-N 1 2 231.339 2.858 20 0 BFADLO COCC[N@H+](CC[C@@H]1C[C@H]1C1CC1)CC(F)F ZINC000885985838 592122118 /nfs/dbraw/zinc/12/21/18/592122118.db2.gz SDKROCOCSGVAFB-NEPJUHHUSA-N 1 2 247.329 2.636 20 0 BFADLO COCC[N@@H+](CC[C@@H]1C[C@H]1C1CC1)CC(F)F ZINC000885985838 592122120 /nfs/dbraw/zinc/12/21/20/592122120.db2.gz SDKROCOCSGVAFB-NEPJUHHUSA-N 1 2 247.329 2.636 20 0 BFADLO Cc1coc(CNc2ccc(N(C)C)c[nH+]2)c1 ZINC000886025062 592135043 /nfs/dbraw/zinc/13/50/43/592135043.db2.gz CXXZNTFZOLHOTP-UHFFFAOYSA-N 1 2 231.299 2.661 20 0 BFADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886044175 592139326 /nfs/dbraw/zinc/13/93/26/592139326.db2.gz SNICWGFWKFUWQI-NWDGAFQWSA-N 1 2 247.329 2.920 20 0 BFADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886044175 592139327 /nfs/dbraw/zinc/13/93/27/592139327.db2.gz SNICWGFWKFUWQI-NWDGAFQWSA-N 1 2 247.329 2.920 20 0 BFADLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052468 592141043 /nfs/dbraw/zinc/14/10/43/592141043.db2.gz RAKOWYAFERGFRN-ZFWWWQNUSA-N 1 2 231.339 2.940 20 0 BFADLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052468 592141046 /nfs/dbraw/zinc/14/10/46/592141046.db2.gz RAKOWYAFERGFRN-ZFWWWQNUSA-N 1 2 231.339 2.940 20 0 BFADLO Cc1coc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000886136384 592160670 /nfs/dbraw/zinc/16/06/70/592160670.db2.gz MOBMRUOQKCKUME-ZYHUDNBSSA-N 1 2 231.299 2.580 20 0 BFADLO Cc1cn[nH]c1C[NH2+]Cc1cscc1Cl ZINC000886199407 592174027 /nfs/dbraw/zinc/17/40/27/592174027.db2.gz VSEJVMGRTRFDAA-UHFFFAOYSA-N 1 2 241.747 2.723 20 0 BFADLO Cc1c[nH]nc1C[NH2+]Cc1cscc1Cl ZINC000886199407 592174029 /nfs/dbraw/zinc/17/40/29/592174029.db2.gz VSEJVMGRTRFDAA-UHFFFAOYSA-N 1 2 241.747 2.723 20 0 BFADLO COCc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886273783 592194081 /nfs/dbraw/zinc/19/40/81/592194081.db2.gz GPUBNPBFRGKSDR-LLVKDONJSA-N 1 2 246.310 2.672 20 0 BFADLO C[C@@H]([NH2+]Cc1ccccc1)c1ncco1 ZINC000886275626 592195642 /nfs/dbraw/zinc/19/56/42/592195642.db2.gz HGUOLMXYTXBSKA-SNVBAGLBSA-N 1 2 202.257 2.525 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC000886305530 592203426 /nfs/dbraw/zinc/20/34/26/592203426.db2.gz JRCGHNMKKHJVAG-OCCSQVGLSA-N 1 2 233.359 2.586 20 0 BFADLO COc1ccc(N[C@H]2CCc3cccnc32)[nH+]c1 ZINC000886576792 592267796 /nfs/dbraw/zinc/26/77/96/592267796.db2.gz PFOASMCUGXDTRX-LBPRGKRZSA-N 1 2 241.294 2.585 20 0 BFADLO Nc1cccc(C[N@H+](CC(F)F)C2CCC2)c1 ZINC000886881012 592381245 /nfs/dbraw/zinc/38/12/45/592381245.db2.gz MSHIXXMBFZEOGV-UHFFFAOYSA-N 1 2 240.297 2.888 20 0 BFADLO Nc1cccc(C[N@@H+](CC(F)F)C2CCC2)c1 ZINC000886881012 592381249 /nfs/dbraw/zinc/38/12/49/592381249.db2.gz MSHIXXMBFZEOGV-UHFFFAOYSA-N 1 2 240.297 2.888 20 0 BFADLO FC(F)C[N@H+](CCc1cccnc1)C1CCC1 ZINC000887100870 592440955 /nfs/dbraw/zinc/44/09/55/592440955.db2.gz VGUCFQGUGBENNC-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)C[N@@H+](CCc1cccnc1)C1CCC1 ZINC000887100870 592440959 /nfs/dbraw/zinc/44/09/59/592440959.db2.gz VGUCFQGUGBENNC-UHFFFAOYSA-N 1 2 240.297 2.744 20 0 BFADLO FC(F)C[N@H+](CCc1cscn1)C1CCC1 ZINC000887102604 592442600 /nfs/dbraw/zinc/44/26/00/592442600.db2.gz XCKRZUABGAKWHF-UHFFFAOYSA-N 1 2 246.326 2.805 20 0 BFADLO FC(F)C[N@@H+](CCc1cscn1)C1CCC1 ZINC000887102604 592442602 /nfs/dbraw/zinc/44/26/02/592442602.db2.gz XCKRZUABGAKWHF-UHFFFAOYSA-N 1 2 246.326 2.805 20 0 BFADLO CO[C@H](C[N@H+](CC(F)F)C1CCC1)C1CCC1 ZINC000887102131 592443740 /nfs/dbraw/zinc/44/37/40/592443740.db2.gz DLQVQKTVHLRTAQ-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO CO[C@H](C[N@@H+](CC(F)F)C1CCC1)C1CCC1 ZINC000887102131 592443745 /nfs/dbraw/zinc/44/37/45/592443745.db2.gz DLQVQKTVHLRTAQ-GFCCVEGCSA-N 1 2 247.329 2.921 20 0 BFADLO C[C@@H](CCCO)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354535582 592715122 /nfs/dbraw/zinc/71/51/22/592715122.db2.gz HQDOHRVGGSUWRH-JTQLQIEISA-N 1 2 248.301 2.947 20 0 BFADLO Clc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000363344026 592727936 /nfs/dbraw/zinc/72/79/36/592727936.db2.gz DTIJQUJSOJRCOQ-BETUJISGSA-N 1 2 237.730 2.703 20 0 BFADLO Clc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000363344026 592727944 /nfs/dbraw/zinc/72/79/44/592727944.db2.gz DTIJQUJSOJRCOQ-BETUJISGSA-N 1 2 237.730 2.703 20 0 BFADLO Cc1cc(C)[nH+]c(CN(C)OCC(F)(F)F)c1 ZINC000931532079 634554410 /nfs/dbraw/zinc/55/44/10/634554410.db2.gz AHTFLKMCWRGYPV-UHFFFAOYSA-N 1 2 248.248 2.624 20 0 BFADLO Cc1cc(C[N@@H+](C)Cc2ccccn2)cnc1F ZINC000893540151 634596158 /nfs/dbraw/zinc/59/61/58/634596158.db2.gz FKJXFSCYJMKMRA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1cc(C[N@H+](C)Cc2ccccn2)cnc1F ZINC000893540151 634596166 /nfs/dbraw/zinc/59/61/66/634596166.db2.gz FKJXFSCYJMKMRA-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO CCc1cc(N2CCC3(CC3)C2)nc(CC)[nH+]1 ZINC000893681567 635445634 /nfs/dbraw/zinc/44/56/34/635445634.db2.gz JMJONZUXKFRBDV-UHFFFAOYSA-N 1 2 231.343 2.592 20 0 BFADLO CC(C)Cc1ccc(C[N@@H+]2CCOC[C@@H]2C)cn1 ZINC000891698808 631454569 /nfs/dbraw/zinc/45/45/69/631454569.db2.gz KLLQCVBKRZPFIP-ZDUSSCGKSA-N 1 2 248.370 2.501 20 0 BFADLO CC(C)Cc1ccc(C[N@H+]2CCOC[C@@H]2C)cn1 ZINC000891698808 631454579 /nfs/dbraw/zinc/45/45/79/631454579.db2.gz KLLQCVBKRZPFIP-ZDUSSCGKSA-N 1 2 248.370 2.501 20 0 BFADLO Cc1cccc(C)c1C[N@H+](C)Cc1cnns1 ZINC000933765167 631503988 /nfs/dbraw/zinc/50/39/88/631503988.db2.gz ZTAKEIFFXDDHSG-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cccc(C)c1C[N@@H+](C)Cc1cnns1 ZINC000933765167 631503990 /nfs/dbraw/zinc/50/39/90/631503990.db2.gz ZTAKEIFFXDDHSG-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO OC[C@@H]1CC[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000934025251 631601098 /nfs/dbraw/zinc/60/10/98/631601098.db2.gz CVQOSOSZGQJBKF-QMMMGPOBSA-N 1 2 246.137 2.560 20 0 BFADLO OC[C@@H]1CC[N@H+]1Cc1c(Cl)cccc1Cl ZINC000934025251 631601100 /nfs/dbraw/zinc/60/11/00/631601100.db2.gz CVQOSOSZGQJBKF-QMMMGPOBSA-N 1 2 246.137 2.560 20 0 BFADLO Cc1cc([NH+](C)C)ccc1NC1CSC1 ZINC000308964291 631771579 /nfs/dbraw/zinc/77/15/79/631771579.db2.gz UHMFMJDPAUTZFY-UHFFFAOYSA-N 1 2 222.357 2.588 20 0 BFADLO CCC[NH+](CCC)Cn1ncsc1=S ZINC000124352162 632092907 /nfs/dbraw/zinc/09/29/07/632092907.db2.gz YIIDIUHHIKRVLE-UHFFFAOYSA-N 1 2 231.390 2.754 20 0 BFADLO CCN(Cc1cccs1)c1cc(NC)[nH+]cn1 ZINC000130417003 632443235 /nfs/dbraw/zinc/44/32/35/632443235.db2.gz BKQOWXMXOSCBDM-UHFFFAOYSA-N 1 2 248.355 2.606 20 0 BFADLO CCN(Cc1cccs1)c1cc(NC)nc[nH+]1 ZINC000130417003 632443241 /nfs/dbraw/zinc/44/32/41/632443241.db2.gz BKQOWXMXOSCBDM-UHFFFAOYSA-N 1 2 248.355 2.606 20 0 BFADLO C[C@H]([NH2+]Cc1cccnc1F)c1ccco1 ZINC000309825405 632673976 /nfs/dbraw/zinc/67/39/76/632673976.db2.gz XFWWBSMMGGNPBK-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cc1ccc(NC(=O)C=C2CCC2)c(N(C)C)[nH+]1 ZINC000152616301 632805203 /nfs/dbraw/zinc/80/52/03/632805203.db2.gz OFDHSIZIWLYKEB-UHFFFAOYSA-N 1 2 245.326 2.505 20 0 BFADLO Fc1cccc2c1CC[N@H+](C/C=C/Cl)C2 ZINC000152802937 632807756 /nfs/dbraw/zinc/80/77/56/632807756.db2.gz LBYBWGSUIVZUBN-QHHAFSJGSA-N 1 2 225.694 2.936 20 0 BFADLO Fc1cccc2c1CC[N@@H+](C/C=C/Cl)C2 ZINC000152802937 632807758 /nfs/dbraw/zinc/80/77/58/632807758.db2.gz LBYBWGSUIVZUBN-QHHAFSJGSA-N 1 2 225.694 2.936 20 0 BFADLO C[C@H](c1nc(CC2CC(C)(C)C2)no1)[NH+](C)C ZINC000924079833 632892951 /nfs/dbraw/zinc/89/29/51/632892951.db2.gz ZGKHVRVXODSQCS-SECBINFHSA-N 1 2 237.347 2.671 20 0 BFADLO Fc1cccc(NCCCNc2cccc[nH+]2)n1 ZINC000180409560 633023824 /nfs/dbraw/zinc/02/38/24/633023824.db2.gz OXXHWXWZRHWGDS-UHFFFAOYSA-N 1 2 246.289 2.530 20 0 BFADLO C[C@H](O)CC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000925067979 635887264 /nfs/dbraw/zinc/88/72/64/635887264.db2.gz CHKHTTXTVPJGNG-QWRGUYRKSA-N 1 2 243.297 2.527 20 0 BFADLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000924592588 633126948 /nfs/dbraw/zinc/12/69/48/633126948.db2.gz SKJLCVHYSKUHOU-SECBINFHSA-N 1 2 249.289 2.676 20 0 BFADLO COCc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000924599058 633184260 /nfs/dbraw/zinc/18/42/60/633184260.db2.gz APDZVUSIRZAWGT-LLVKDONJSA-N 1 2 246.310 2.672 20 0 BFADLO C[N@H+](Cc1occc1Br)C1CC1 ZINC000306261234 635961011 /nfs/dbraw/zinc/96/10/11/635961011.db2.gz LAESAMOUHCRFAW-UHFFFAOYSA-N 1 2 230.105 2.636 20 0 BFADLO C[N@@H+](Cc1occc1Br)C1CC1 ZINC000306261234 635961014 /nfs/dbraw/zinc/96/10/14/635961014.db2.gz LAESAMOUHCRFAW-UHFFFAOYSA-N 1 2 230.105 2.636 20 0 BFADLO C[C@H]1C[NH+](Cc2csc(Cl)n2)C[C@@H]1C ZINC000306571159 635970204 /nfs/dbraw/zinc/97/02/04/635970204.db2.gz ZZPSHQVZZGJNOZ-YUMQZZPRSA-N 1 2 230.764 2.884 20 0 BFADLO COCCCC1(C[N@@H+]2CCC(F)(F)C2)CCC1 ZINC000893311568 634147073 /nfs/dbraw/zinc/14/70/73/634147073.db2.gz ZHKOPNCJSRPGNH-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO COCCCC1(C[N@H+]2CCC(F)(F)C2)CCC1 ZINC000893311568 634147082 /nfs/dbraw/zinc/14/70/82/634147082.db2.gz ZHKOPNCJSRPGNH-UHFFFAOYSA-N 1 2 247.329 2.924 20 0 BFADLO Cc1ccc(C2=CC[N@H+](CCC#N)CC2)cc1 ZINC000053813050 635127350 /nfs/dbraw/zinc/12/73/50/635127350.db2.gz PHEDYNQYLSPSIL-UHFFFAOYSA-N 1 2 226.323 2.998 20 0 BFADLO Cc1ccc(C2=CC[N@@H+](CCC#N)CC2)cc1 ZINC000053813050 635127360 /nfs/dbraw/zinc/12/73/60/635127360.db2.gz PHEDYNQYLSPSIL-UHFFFAOYSA-N 1 2 226.323 2.998 20 0 BFADLO Cc1cnc(C[NH2+]Cc2c(C)cccc2C)o1 ZINC000235953734 635590815 /nfs/dbraw/zinc/59/08/15/635590815.db2.gz BRYOATOUIGHJKP-UHFFFAOYSA-N 1 2 230.311 2.890 20 0 BFADLO Cc1nc(SCc2ccc(N)[nH+]c2)oc1C ZINC000235963316 635591306 /nfs/dbraw/zinc/59/13/06/635591306.db2.gz XWWIFWSLQJSVST-UHFFFAOYSA-N 1 2 235.312 2.561 20 0 BFADLO CO[C@@](C)(CNc1c[nH+]c(C)c(C)c1)C1CC1 ZINC000895644877 636171486 /nfs/dbraw/zinc/17/14/86/636171486.db2.gz HBUAXGAZVKYJPE-AWEZNQCLSA-N 1 2 234.343 2.925 20 0 BFADLO C[C@H]1CC[N@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000752087061 636553653 /nfs/dbraw/zinc/55/36/53/636553653.db2.gz CDFMBMWGOPAFOU-BQBZGAKWSA-N 1 2 213.218 2.617 20 0 BFADLO C[C@H]1CC[N@@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000752087061 636553659 /nfs/dbraw/zinc/55/36/59/636553659.db2.gz CDFMBMWGOPAFOU-BQBZGAKWSA-N 1 2 213.218 2.617 20 0 BFADLO C/C(=C\c1c[nH+]cn1C(C)C)c1cnccn1 ZINC000901487909 637256849 /nfs/dbraw/zinc/25/68/49/637256849.db2.gz CCNDPMWPDPLSKG-IZZDOVSWSA-N 1 2 228.299 2.815 20 0 BFADLO CCC(C)(C)c1nc(-c2c[nH+]c(N)cc2C)no1 ZINC000904269309 637395513 /nfs/dbraw/zinc/39/55/13/637395513.db2.gz ARIXWAXRUHAWOF-UHFFFAOYSA-N 1 2 246.314 2.710 20 0 BFADLO CC[NH2+]Cc1noc(C2(C)C(C)(C)C2(C)C)n1 ZINC000904495073 637423352 /nfs/dbraw/zinc/42/33/52/637423352.db2.gz PYOFJZVSOQOFFR-UHFFFAOYSA-N 1 2 237.347 2.503 20 0 BFADLO C[C@H](O)c1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904848224 637504651 /nfs/dbraw/zinc/50/46/51/637504651.db2.gz ACDFDYLRKZROQK-NSHDSACASA-N 1 2 242.322 2.868 20 0 BFADLO COc1cc(C)c(-c2c[nH+]cn2C)c(C)c1 ZINC000904876024 637518205 /nfs/dbraw/zinc/51/82/05/637518205.db2.gz UTHYKCHDMONDBE-UHFFFAOYSA-N 1 2 216.284 2.713 20 0 BFADLO CCCc1cncc(OCc2ccc(N)[nH+]c2)c1 ZINC000905096627 637633523 /nfs/dbraw/zinc/63/35/23/637633523.db2.gz QVXWOORQJVNLQR-UHFFFAOYSA-N 1 2 243.310 2.590 20 0 BFADLO CCCc1cncc(OCc2ccc[nH+]c2N)c1 ZINC000905096567 637634414 /nfs/dbraw/zinc/63/44/14/637634414.db2.gz PIUZHBBTYWMZLH-UHFFFAOYSA-N 1 2 243.310 2.590 20 0 BFADLO Cc1cc(C)c(C(=O)N(C)[C@H](C)C2CC2)c(C)[nH+]1 ZINC000905761465 637916635 /nfs/dbraw/zinc/91/66/35/637916635.db2.gz GPZDTDAXSIXKST-GFCCVEGCSA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cn2cc(-c3cn(C)nc3C)cc(C)c2[nH+]1 ZINC000906169656 638084015 /nfs/dbraw/zinc/08/40/15/638084015.db2.gz YGYQQCYWHBNBTC-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1cnc(F)cc1-c1c[nH+]c2c(c1)CCCN2 ZINC000906170788 638084882 /nfs/dbraw/zinc/08/48/82/638084882.db2.gz JPSWGSHJBISNCB-UHFFFAOYSA-N 1 2 243.285 2.592 20 0 BFADLO COc1ncc(-c2c[nH+]c(C(C)C)n2C)cc1C ZINC000906189860 638095705 /nfs/dbraw/zinc/09/57/05/638095705.db2.gz GMBBMEOTPNEHMX-UHFFFAOYSA-N 1 2 245.326 2.923 20 0 BFADLO Cc1cc(C)c(C(=O)NCc2ccoc2)c(C)[nH+]1 ZINC000906405147 638158394 /nfs/dbraw/zinc/15/83/94/638158394.db2.gz XDNHBKNOTZDXOU-UHFFFAOYSA-N 1 2 244.294 2.530 20 0 BFADLO C[C@@H](c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1)C1CC1 ZINC000923957562 638219184 /nfs/dbraw/zinc/21/91/84/638219184.db2.gz VUSPNVZYXFLWNP-SZEHBUNVSA-N 1 2 244.298 2.577 20 0 BFADLO Cc1cc(C)c(C(=O)NC[C@H]2CC2(C)C)c(C)[nH+]1 ZINC000906666500 638230930 /nfs/dbraw/zinc/23/09/30/638230930.db2.gz AJBRCVXCZPFYLO-GFCCVEGCSA-N 1 2 246.354 2.783 20 0 BFADLO CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000906954825 638278030 /nfs/dbraw/zinc/27/80/30/638278030.db2.gz NTFXBINSMMDCJW-CYBMUJFWSA-N 1 2 246.354 2.879 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@H]2C(C)C)c(C)[nH+]1 ZINC000907227720 638326627 /nfs/dbraw/zinc/32/66/27/638326627.db2.gz RPCULSOLSMRVBY-ZDUSSCGKSA-N 1 2 246.354 2.877 20 0 BFADLO Cc1cc(C)c(C(=O)N2[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000907874867 638497064 /nfs/dbraw/zinc/49/70/64/638497064.db2.gz SJFFUSRRYOUNAP-PHIMTYICSA-N 1 2 232.327 2.630 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2CCC2(C)C)c(C)[nH+]1 ZINC000908190780 638597835 /nfs/dbraw/zinc/59/78/35/638597835.db2.gz GDYSHZBGUQYBIN-GFCCVEGCSA-N 1 2 246.354 2.925 20 0 BFADLO Cc1cc(C)c(C(=O)N2CC[C@@H]2C2CC2)c(C)[nH+]1 ZINC000908558104 639014655 /nfs/dbraw/zinc/01/46/55/639014655.db2.gz VQOJRNKTAKEBGH-CYBMUJFWSA-N 1 2 244.338 2.631 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000909909529 639268656 /nfs/dbraw/zinc/26/86/56/639268656.db2.gz VYDPMUFKSAGEML-QWHCGFSZSA-N 1 2 246.354 2.781 20 0 BFADLO Cc1occc1C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000924828271 639301308 /nfs/dbraw/zinc/30/13/08/639301308.db2.gz ZLCUPPVYKZNKIS-SNVBAGLBSA-N 1 2 248.330 2.611 20 0 BFADLO CCC[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000930220242 639641647 /nfs/dbraw/zinc/64/16/47/639641647.db2.gz BFKVCZKOSOMSPS-JTQLQIEISA-N 1 2 245.326 2.824 20 0 BFADLO Cc1nc(C[N@H+](C)CC2CCC3(CC3)CC2)no1 ZINC000930240899 639649908 /nfs/dbraw/zinc/64/99/08/639649908.db2.gz CPVQIYDHAPCQMV-UHFFFAOYSA-N 1 2 249.358 2.780 20 0 BFADLO Cc1nc(C[N@@H+](C)CC2CCC3(CC3)CC2)no1 ZINC000930240899 639649912 /nfs/dbraw/zinc/64/99/12/639649912.db2.gz CPVQIYDHAPCQMV-UHFFFAOYSA-N 1 2 249.358 2.780 20 0 BFADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1coc(C(C)(C)C)n1 ZINC000930272954 639674745 /nfs/dbraw/zinc/67/47/45/639674745.db2.gz MUCOXSPKIXCAQU-NXEZZACHSA-N 1 2 222.332 2.955 20 0 BFADLO CCCC[C@H](C)[N@H+](C)Cc1nncs1 ZINC000930526111 639801092 /nfs/dbraw/zinc/80/10/92/639801092.db2.gz MXPWKGZACDMPDO-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO CCCC[C@H](C)[N@@H+](C)Cc1nncs1 ZINC000930526111 639801095 /nfs/dbraw/zinc/80/10/95/639801095.db2.gz MXPWKGZACDMPDO-VIFPVBQESA-N 1 2 213.350 2.549 20 0 BFADLO Cc1nnsc1[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC000930595564 639815781 /nfs/dbraw/zinc/81/57/81/639815781.db2.gz RNQLWESPJOJHLB-KOLCDFICSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1nnsc1[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC000930595564 639815782 /nfs/dbraw/zinc/81/57/82/639815782.db2.gz RNQLWESPJOJHLB-KOLCDFICSA-N 1 2 243.351 2.732 20 0 BFADLO Cc1ccccc1C1([NH2+]Cc2nncs2)CC1 ZINC000930813674 639914926 /nfs/dbraw/zinc/91/49/26/639914926.db2.gz CWTQOWGLINWLMQ-UHFFFAOYSA-N 1 2 245.351 2.625 20 0 BFADLO CC[N@H+](CCSC)Cc1c(F)cncc1F ZINC000930829112 639931009 /nfs/dbraw/zinc/93/10/09/639931009.db2.gz YKCIUXMPPSXDTC-UHFFFAOYSA-N 1 2 246.326 2.545 20 0 BFADLO CC[N@@H+](CCSC)Cc1c(F)cncc1F ZINC000930829112 639931012 /nfs/dbraw/zinc/93/10/12/639931012.db2.gz YKCIUXMPPSXDTC-UHFFFAOYSA-N 1 2 246.326 2.545 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CC3CC2(C)C3)n1 ZINC000931082360 640063513 /nfs/dbraw/zinc/06/35/13/640063513.db2.gz ZYNPRJRMKPGARQ-UHFFFAOYSA-N 1 2 237.372 2.646 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CC3CC2(C)C3)n1 ZINC000931082360 640063521 /nfs/dbraw/zinc/06/35/21/640063521.db2.gz ZYNPRJRMKPGARQ-UHFFFAOYSA-N 1 2 237.372 2.646 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141343 640076947 /nfs/dbraw/zinc/07/69/47/640076947.db2.gz WOJSAZDXFBKBLV-UPJWGTAASA-N 1 2 248.374 2.768 20 0 BFADLO C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H]2c2nc[nH]n2)C1 ZINC000931141343 640076952 /nfs/dbraw/zinc/07/69/52/640076952.db2.gz WOJSAZDXFBKBLV-UPJWGTAASA-N 1 2 248.374 2.768 20 0 BFADLO CCCC(C)(C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931221662 640104788 /nfs/dbraw/zinc/10/47/88/640104788.db2.gz VAGUVBIEFAPHGE-UHFFFAOYSA-N 1 2 245.326 2.871 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cccc(F)c1 ZINC000931414927 640186015 /nfs/dbraw/zinc/18/60/15/640186015.db2.gz GXBNSJZYSFJZAO-UHFFFAOYSA-N 1 2 247.317 2.532 20 0 BFADLO Cc1cc(C)[nH+]c(CN2CC[C@@H]2C(F)F)c1 ZINC000931424527 640192952 /nfs/dbraw/zinc/19/29/52/640192952.db2.gz AZJANBAZNRYJGA-LLVKDONJSA-N 1 2 226.270 2.538 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccccc2F)Cc2c[nH]nc21 ZINC000931452942 640214208 /nfs/dbraw/zinc/21/42/08/640214208.db2.gz DXGUXWUOMUCWHL-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccccc2F)Cc2c[nH]nc21 ZINC000931452942 640214215 /nfs/dbraw/zinc/21/42/15/640214215.db2.gz DXGUXWUOMUCWHL-JTQLQIEISA-N 1 2 245.301 2.668 20 0 BFADLO CC[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000931767387 640358202 /nfs/dbraw/zinc/35/82/02/640358202.db2.gz LIGMZTUHHMMRSB-LLVKDONJSA-N 1 2 243.310 2.578 20 0 BFADLO C[C@H]1CC[N@H+](Cc2c(F)cccc2F)CCO1 ZINC000932339507 640479661 /nfs/dbraw/zinc/47/96/61/640479661.db2.gz WADFSSDEHOUNKH-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)CCO1 ZINC000932339507 640479666 /nfs/dbraw/zinc/47/96/66/640479666.db2.gz WADFSSDEHOUNKH-JTQLQIEISA-N 1 2 241.281 2.576 20 0 BFADLO Cc1conc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932387480 640515326 /nfs/dbraw/zinc/51/53/26/640515326.db2.gz YUYVNRHZHUJKOW-AWEZNQCLSA-N 1 2 243.310 2.619 20 0 BFADLO C=CCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000156954263 640520665 /nfs/dbraw/zinc/52/06/65/640520665.db2.gz PLJDRECPSMMRDZ-UHFFFAOYSA-N 1 2 238.718 2.747 20 0 BFADLO COc1cccc(C[N@@H+]2CCn3cccc3C2)c1 ZINC000932529140 640569650 /nfs/dbraw/zinc/56/96/50/640569650.db2.gz ZARISWNQBVYRGF-UHFFFAOYSA-N 1 2 242.322 2.513 20 0 BFADLO COc1cccc(C[N@H+]2CCn3cccc3C2)c1 ZINC000932529140 640569654 /nfs/dbraw/zinc/56/96/54/640569654.db2.gz ZARISWNQBVYRGF-UHFFFAOYSA-N 1 2 242.322 2.513 20 0 BFADLO Cc1ncc(C[N@H+](Cc2ccoc2)C2CC2)o1 ZINC000934003355 640803198 /nfs/dbraw/zinc/80/31/98/640803198.db2.gz GYZZMRWZDYEJNM-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO Cc1ncc(C[N@@H+](Cc2ccoc2)C2CC2)o1 ZINC000934003355 640803201 /nfs/dbraw/zinc/80/32/01/640803201.db2.gz GYZZMRWZDYEJNM-UHFFFAOYSA-N 1 2 232.283 2.741 20 0 BFADLO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000061360265 640957381 /nfs/dbraw/zinc/95/73/81/640957381.db2.gz GEJISFRRBBSFPN-LLVKDONJSA-N 1 2 233.340 2.638 20 0 BFADLO CCOC(=O)[C@@H](CCc1ccccc1)[NH2+]C(C)C ZINC000061625422 641186710 /nfs/dbraw/zinc/18/67/10/641186710.db2.gz CILLGLCHEVZAHV-CQSZACIVSA-N 1 2 249.354 2.549 20 0 BFADLO C[C@@H](c1nc(CC2(C)CCCC2)no1)[NH+](C)C ZINC000350368124 641286344 /nfs/dbraw/zinc/28/63/44/641286344.db2.gz RSMIGRWCUQXHHQ-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO C[C@@H](c1nc(C2CCC(C)CC2)no1)[NH+](C)C ZINC000350593305 641364212 /nfs/dbraw/zinc/36/42/12/641364212.db2.gz IOKMFPDGKIWKHF-YVNMAJEFSA-N 1 2 237.347 2.986 20 0 BFADLO C[C@@H](c1nc(CC2CCCCC2)no1)[NH+](C)C ZINC000350606390 641373452 /nfs/dbraw/zinc/37/34/52/641373452.db2.gz MFUUULMODSVWGT-JTQLQIEISA-N 1 2 237.347 2.815 20 0 BFADLO CCc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000174707093 641405021 /nfs/dbraw/zinc/40/50/21/641405021.db2.gz FMBCDUKTGYTXTD-UHFFFAOYSA-N 1 2 227.311 2.960 20 0 BFADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCF ZINC000759343378 641422419 /nfs/dbraw/zinc/42/24/19/641422419.db2.gz DLEWHLYECZCNTL-ZDUSSCGKSA-N 1 2 247.317 2.680 20 0 BFADLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCF ZINC000759343378 641422425 /nfs/dbraw/zinc/42/24/25/641422425.db2.gz DLEWHLYECZCNTL-ZDUSSCGKSA-N 1 2 247.317 2.680 20 0 BFADLO CCC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000152593147 641621647 /nfs/dbraw/zinc/62/16/47/641621647.db2.gz KTYAVCNIJWYWNP-SNVBAGLBSA-N 1 2 249.358 2.831 20 0 BFADLO C[N@@H+]1CCCc2cc(NC3CSC3)ccc21 ZINC000075171782 641747179 /nfs/dbraw/zinc/74/71/79/641747179.db2.gz PGNNFLYJFHHLGA-UHFFFAOYSA-N 1 2 234.368 2.596 20 0 BFADLO C[N@H+]1CCCc2cc(NC3CSC3)ccc21 ZINC000075171782 641747183 /nfs/dbraw/zinc/74/71/83/641747183.db2.gz PGNNFLYJFHHLGA-UHFFFAOYSA-N 1 2 234.368 2.596 20 0 BFADLO CC(C)([NH2+]Cc1ccon1)c1ccc(F)cc1 ZINC000077281584 641841945 /nfs/dbraw/zinc/84/19/45/641841945.db2.gz AFHUWUXPJZQQPV-UHFFFAOYSA-N 1 2 234.274 2.839 20 0 BFADLO CC1=NO[C@@H](CSc2[nH+]cc3ccccn32)C1 ZINC000916104409 641903438 /nfs/dbraw/zinc/90/34/38/641903438.db2.gz VKTZFCAVBYEILM-LLVKDONJSA-N 1 2 247.323 2.591 20 0 BFADLO Cc1ncc(CSCCCn2cc[nH+]c2)o1 ZINC000917163507 642023224 /nfs/dbraw/zinc/02/32/24/642023224.db2.gz RZHAVFQPEDPVHN-UHFFFAOYSA-N 1 2 237.328 2.503 20 0 BFADLO FC1(F)[C@@H](Cn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000917360029 642049834 /nfs/dbraw/zinc/04/98/34/642049834.db2.gz XKGJOCXPXOTMFL-RYUDHWBXSA-N 1 2 234.249 2.932 20 0 BFADLO Clc1cc(Cn2cc[nH+]c2)cc(Cl)n1 ZINC000064139881 642315509 /nfs/dbraw/zinc/31/55/09/642315509.db2.gz SIUFPHPDGPCGOI-UHFFFAOYSA-N 1 2 228.082 2.633 20 0 BFADLO CCc1onc(C)c1C[N@H+](C)Cc1cccnc1 ZINC000930090785 642375974 /nfs/dbraw/zinc/37/59/74/642375974.db2.gz YBZXYHBWNMYYPR-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCc1onc(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000930090785 642375980 /nfs/dbraw/zinc/37/59/80/642375980.db2.gz YBZXYHBWNMYYPR-UHFFFAOYSA-N 1 2 245.326 2.572 20 0 BFADLO CCC[C@H](C)c1noc([C@@H](C)[NH+](C)C)n1 ZINC000923869445 642388360 /nfs/dbraw/zinc/38/83/60/642388360.db2.gz MCVBVIHEMSNSBP-DTWKUNHWSA-N 1 2 211.309 2.596 20 0 BFADLO Cc1cc(NC[C@@H]2CCCO2)nc(C2CCC2)[nH+]1 ZINC000891396901 642469367 /nfs/dbraw/zinc/46/93/67/642469367.db2.gz GVBQWEGCBXEEHA-LBPRGKRZSA-N 1 2 247.342 2.643 20 0 BFADLO Cc1cnc(CSCCn2cc[nH+]c2)s1 ZINC000180014166 642764288 /nfs/dbraw/zinc/76/42/88/642764288.db2.gz DECILQGKDPKVSS-UHFFFAOYSA-N 1 2 239.369 2.581 20 0 BFADLO CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181984625 642938728 /nfs/dbraw/zinc/93/87/28/642938728.db2.gz NCFKULROTCCTFR-WCQYABFASA-N 1 2 235.327 2.631 20 0 BFADLO CCOC1CC(CC(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000189108935 643014700 /nfs/dbraw/zinc/01/47/00/643014700.db2.gz ZJZYDKXSEAOADH-UHFFFAOYSA-N 1 2 248.326 2.534 20 0 BFADLO Cc1cc(N[C@@H](C)c2ncc[nH]2)ccc1[NH+](C)C ZINC000286253352 643121091 /nfs/dbraw/zinc/12/10/91/643121091.db2.gz USBYVJAJHMPUPM-NSHDSACASA-N 1 2 244.342 2.957 20 0 BFADLO CC[N@H+](CCC#N)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000081039550 643288059 /nfs/dbraw/zinc/28/80/59/643288059.db2.gz FGWLBJLRDITSAX-OAHLLOKOSA-N 1 2 246.354 2.572 20 0 BFADLO CC[N@@H+](CCC#N)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000081039550 643288068 /nfs/dbraw/zinc/28/80/68/643288068.db2.gz FGWLBJLRDITSAX-OAHLLOKOSA-N 1 2 246.354 2.572 20 0 BFADLO C[NH+](C)c1ccc(NCc2ccco2)cc1 ZINC000032013110 643411203 /nfs/dbraw/zinc/41/12/03/643411203.db2.gz AWKAIRDZIPTJPU-UHFFFAOYSA-N 1 2 216.284 2.958 20 0 BFADLO CC[C@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000082523708 643512727 /nfs/dbraw/zinc/51/27/27/643512727.db2.gz OHUQFZVEKCFAJL-VIFPVBQESA-N 1 2 208.305 2.735 20 0 BFADLO C[N@H+](Cc1ccoc1)Cc1cccc(Cl)n1 ZINC000085696832 643769781 /nfs/dbraw/zinc/76/97/81/643769781.db2.gz KKPCBDOWTSHVRF-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[N@@H+](Cc1ccoc1)Cc1cccc(Cl)n1 ZINC000085696832 643769786 /nfs/dbraw/zinc/76/97/86/643769786.db2.gz KKPCBDOWTSHVRF-UHFFFAOYSA-N 1 2 236.702 2.960 20 0 BFADLO C[C@@H]1CCC[C@H](C(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922484126 644002744 /nfs/dbraw/zinc/00/27/44/644002744.db2.gz IXTJMTMMSNHBMT-PWSUYJOCSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H](C(=O)OCc1ccc(N)[nH+]c1)C1CCCC1 ZINC000922511522 644009506 /nfs/dbraw/zinc/00/95/06/644009506.db2.gz UHEOUDDUQQPDTM-SNVBAGLBSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@@H]1CC[C@@H](CC(=O)OCc2ccc(N)[nH+]c2)C1 ZINC000922524450 644012497 /nfs/dbraw/zinc/01/24/97/644012497.db2.gz KRJIPQQKCYUJJF-GHMZBOCLSA-N 1 2 248.326 2.533 20 0 BFADLO Nc1[nH+]cccc1COC(=O)C1=CCCCCC1 ZINC000922623074 644043005 /nfs/dbraw/zinc/04/30/05/644043005.db2.gz DTQQYBDDVSVQCB-UHFFFAOYSA-N 1 2 246.310 2.598 20 0 BFADLO Cc1cc(C[NH2+]C(C)(C)/C=C\Cl)no1 ZINC000922644985 644051681 /nfs/dbraw/zinc/05/16/81/644051681.db2.gz NJMPYKAJQFBDLR-PLNGDYQASA-N 1 2 214.696 2.604 20 0 BFADLO C[C@@H]1CCC[C@]1(C)C(=O)OCc1ccc(N)[nH+]c1 ZINC000922770976 644092921 /nfs/dbraw/zinc/09/29/21/644092921.db2.gz UGESBGDYTKMWGI-YGRLFVJLSA-N 1 2 248.326 2.533 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(F)cc1 ZINC000086453754 644139447 /nfs/dbraw/zinc/13/94/47/644139447.db2.gz WPQWUOAFVIWCKZ-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO CSCCSc1[nH+]cc2ccccn21 ZINC000192841540 644189913 /nfs/dbraw/zinc/18/99/13/644189913.db2.gz HGOBMMHUDGDHQV-UHFFFAOYSA-N 1 2 224.354 2.789 20 0 BFADLO C[N@@H+](Cn1ncsc1=S)C1CCCC1 ZINC000193134270 644215775 /nfs/dbraw/zinc/21/57/75/644215775.db2.gz UTOFHXMKKBSMIN-UHFFFAOYSA-N 1 2 229.374 2.506 20 0 BFADLO C[N@H+](Cn1ncsc1=S)C1CCCC1 ZINC000193134270 644215769 /nfs/dbraw/zinc/21/57/69/644215769.db2.gz UTOFHXMKKBSMIN-UHFFFAOYSA-N 1 2 229.374 2.506 20 0 BFADLO CCCCCC[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000740878395 644563322 /nfs/dbraw/zinc/56/33/22/644563322.db2.gz CXVWBIBIYDYSDQ-JTQLQIEISA-N 1 2 239.281 2.830 20 0 BFADLO CCCCCC[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000740878395 644563318 /nfs/dbraw/zinc/56/33/18/644563318.db2.gz CXVWBIBIYDYSDQ-JTQLQIEISA-N 1 2 239.281 2.830 20 0 BFADLO CCn1c[nH+]cc1CNc1ccc(OC)c(F)c1 ZINC000090170176 644583303 /nfs/dbraw/zinc/58/33/03/644583303.db2.gz KUSWPFIJEGCYEL-UHFFFAOYSA-N 1 2 249.289 2.663 20 0 BFADLO CC/C=C(/C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458471 644983179 /nfs/dbraw/zinc/98/31/79/644983179.db2.gz IFLMSVZOSFIQGH-POHAHGRESA-N 1 2 232.327 2.671 20 0 BFADLO Cc1csc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000926519966 645252299 /nfs/dbraw/zinc/25/22/99/645252299.db2.gz OWKUKWKLNRTILJ-SECBINFHSA-N 1 2 222.313 2.895 20 0 BFADLO C[C@H](CC(=O)O[C@H]1CCC12CCC2)n1cc[nH+]c1 ZINC000845608162 645371344 /nfs/dbraw/zinc/37/13/44/645371344.db2.gz KMFMHOFDOOMXKQ-NEPJUHHUSA-N 1 2 248.326 2.710 20 0 BFADLO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccco1 ZINC000927113516 645553345 /nfs/dbraw/zinc/55/33/45/645553345.db2.gz ZPPURMUJHLHJLT-JTQLQIEISA-N 1 2 245.326 2.741 20 0 BFADLO Cc1ccccc1C[N@@H+](C)[C@H](C)c1ncccn1 ZINC000929122358 645955326 /nfs/dbraw/zinc/95/53/26/645955326.db2.gz QZALJUYXVNBCPH-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO Cc1ccccc1C[N@H+](C)[C@H](C)c1ncccn1 ZINC000929122358 645955331 /nfs/dbraw/zinc/95/53/31/645955331.db2.gz QZALJUYXVNBCPH-CYBMUJFWSA-N 1 2 241.338 2.978 20 0 BFADLO CC[C@@H](C)Cc1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924152487 645998551 /nfs/dbraw/zinc/99/85/51/645998551.db2.gz MZPUJOWJMPUGJH-OPRDCNLKSA-N 1 2 246.314 2.652 20 0 BFADLO CCC(C)(C)c1noc([C@@H]2C[C@H]2c2c[nH]c[nH+]2)n1 ZINC000924158047 645999554 /nfs/dbraw/zinc/99/95/54/645999554.db2.gz IOWVPQOSUACUEG-RKDXNWHRSA-N 1 2 246.314 2.751 20 0 BFADLO CC(C)c1nsc(C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000929212224 646008876 /nfs/dbraw/zinc/00/88/76/646008876.db2.gz RWQVQGCLGXSEMA-JTQLQIEISA-N 1 2 239.388 2.893 20 0 BFADLO CC(C)c1nsc(C[N@H+]2CCC[C@H](C)C2)n1 ZINC000929212224 646008879 /nfs/dbraw/zinc/00/88/79/646008879.db2.gz RWQVQGCLGXSEMA-JTQLQIEISA-N 1 2 239.388 2.893 20 0 BFADLO C[N@H+](Cc1coc(C(C)(C)C)n1)C1CC1 ZINC000929275368 646055308 /nfs/dbraw/zinc/05/53/08/646055308.db2.gz VYJDQFOLTKEOPA-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO C[N@@H+](Cc1coc(C(C)(C)C)n1)C1CC1 ZINC000929275368 646055314 /nfs/dbraw/zinc/05/53/14/646055314.db2.gz VYJDQFOLTKEOPA-UHFFFAOYSA-N 1 2 208.305 2.566 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1ncco1 ZINC000924762791 646102872 /nfs/dbraw/zinc/10/28/72/646102872.db2.gz NWCJZFDFMHEORK-MNOVXSKESA-N 1 2 246.310 2.579 20 0 BFADLO C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924762792 646103295 /nfs/dbraw/zinc/10/32/95/646103295.db2.gz NWCJZFDFMHEORK-QWRGUYRKSA-N 1 2 246.310 2.579 20 0 BFADLO CC[N@H+](CCC(F)(F)F)Cc1nn(C)cc1C ZINC000929466523 646130338 /nfs/dbraw/zinc/13/03/38/646130338.db2.gz QLJFMBLPGYRUKD-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO CC[N@@H+](CCC(F)(F)F)Cc1nn(C)cc1C ZINC000929466523 646130344 /nfs/dbraw/zinc/13/03/44/646130344.db2.gz QLJFMBLPGYRUKD-UHFFFAOYSA-N 1 2 249.280 2.503 20 0 BFADLO CC[C@H](C)[C@@H](C(=O)OC)[NH+]1Cc2ccccc2C1 ZINC000929583579 646184429 /nfs/dbraw/zinc/18/44/29/646184429.db2.gz LFZBKOKMNCYLFF-FZMZJTMJSA-N 1 2 247.338 2.590 20 0 BFADLO Cc1cccc(F)c1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000925166681 646200672 /nfs/dbraw/zinc/20/06/72/646200672.db2.gz PTWDLIZCDSDVBI-NSHDSACASA-N 1 2 247.317 2.718 20 0 BFADLO Cc1cc(C)[nH+]c(CN(C)CC(F)(F)F)c1 ZINC000929627545 646209824 /nfs/dbraw/zinc/20/98/24/646209824.db2.gz WUTPLUABZJXITG-UHFFFAOYSA-N 1 2 232.249 2.693 20 0 BFADLO Cc1[nH]ncc1C[NH2+][C@@H]1CCc2cccc(C)c21 ZINC000925460096 646287605 /nfs/dbraw/zinc/28/76/05/646287605.db2.gz JMPZIZRXCFVJAD-CQSZACIVSA-N 1 2 241.338 2.804 20 0 BFADLO CCOC(=O)/C=C\C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000929766172 646296546 /nfs/dbraw/zinc/29/65/46/646296546.db2.gz JIEYKUICTQPXBK-OJIASSBASA-N 1 2 245.322 2.683 20 0 BFADLO CCOC(=O)/C=C\C[N@H+]1Cc2ccccc2[C@H]1C ZINC000929766172 646296554 /nfs/dbraw/zinc/29/65/54/646296554.db2.gz JIEYKUICTQPXBK-OJIASSBASA-N 1 2 245.322 2.683 20 0 BFADLO CCc1ncc(C[N@H+](C)Cc2cccc(O)c2)o1 ZINC000929778103 646304867 /nfs/dbraw/zinc/30/48/67/646304867.db2.gz QDVHKKSCBAOJIN-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCc1ncc(C[N@@H+](C)Cc2cccc(O)c2)o1 ZINC000929778103 646304873 /nfs/dbraw/zinc/30/48/73/646304873.db2.gz QDVHKKSCBAOJIN-UHFFFAOYSA-N 1 2 246.310 2.575 20 0 BFADLO CCc1ncc(C[N@@H+](CC)Cc2ccccn2)o1 ZINC000929826088 646342014 /nfs/dbraw/zinc/34/20/14/646342014.db2.gz SDMNWLBQWKQCLF-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO CCc1ncc(C[N@H+](CC)Cc2ccccn2)o1 ZINC000929826088 646342020 /nfs/dbraw/zinc/34/20/20/646342020.db2.gz SDMNWLBQWKQCLF-UHFFFAOYSA-N 1 2 245.326 2.654 20 0 BFADLO C[C@H]([NH2+][C@H]1CCOC1)C(F)(F)c1ccccc1 ZINC000925618681 646364371 /nfs/dbraw/zinc/36/43/71/646364371.db2.gz XDOSHHTYWWJZAP-JQWIXIFHSA-N 1 2 241.281 2.545 20 0 BFADLO Cc1nonc1[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000926026123 646562022 /nfs/dbraw/zinc/56/20/22/646562022.db2.gz IOZZZHCKQBPCRU-VIFPVBQESA-N 1 2 246.314 2.617 20 0 BFADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ncco1 ZINC000926025619 646562154 /nfs/dbraw/zinc/56/21/54/646562154.db2.gz GNXATUTULUTLJJ-JTQLQIEISA-N 1 2 231.299 2.914 20 0 BFADLO C[C@@H]1COC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000926067214 646570674 /nfs/dbraw/zinc/57/06/74/646570674.db2.gz VQDQESQXOFCZKZ-RISCZKNCSA-N 1 2 246.354 2.516 20 0 BFADLO C[C@@H]1COC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000926067214 646570679 /nfs/dbraw/zinc/57/06/79/646570679.db2.gz VQDQESQXOFCZKZ-RISCZKNCSA-N 1 2 246.354 2.516 20 0 BFADLO c1ccc(NCC[C@@H]2CCSC2)[nH+]c1 ZINC000704814975 712118352 /nfs/dbraw/zinc/11/83/52/712118352.db2.gz ZVDHWAIIDQEGFC-SNVBAGLBSA-N 1 2 208.330 2.637 20 0 BFADLO Cc1coc(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000719528157 712808563 /nfs/dbraw/zinc/80/85/63/712808563.db2.gz OZFSMSKINOPRAI-UHFFFAOYSA-N 1 2 236.340 2.951 20 0 BFADLO Cc1cc([C@H](C)[NH2+]Cc2ccon2)cs1 ZINC000381628046 710664671 /nfs/dbraw/zinc/66/46/71/710664671.db2.gz USSNOKUSMBZKBH-VIFPVBQESA-N 1 2 222.313 2.895 20 0 BFADLO Cc1cc([C@H](C)[NH2+][C@H]2CCn3ccnc32)c(C)o1 ZINC000386106473 711021648 /nfs/dbraw/zinc/02/16/48/711021648.db2.gz SLJJJHUGRZQGJK-GWCFXTLKSA-N 1 2 245.326 2.889 20 0 BFADLO CCc1nc(C[NH2+]C/C=C\Cl)cs1 ZINC000393216458 711156225 /nfs/dbraw/zinc/15/62/25/711156225.db2.gz CUXLPJLTZVVGDU-ARJAWSKDSA-N 1 2 216.737 2.548 20 0 BFADLO Cc1cc(N[C@@H]2CO[C@@H](C)[C@H]2C)ccc1[NH+](C)C ZINC000926052514 711478136 /nfs/dbraw/zinc/47/81/36/711478136.db2.gz INIKVEJEEVWHQI-MBNYWOFBSA-N 1 2 248.370 2.896 20 0 BFADLO COCC[C@H](C)[NH2+]c1ccc2c(c1)CCCN2C ZINC000182954598 711897453 /nfs/dbraw/zinc/89/74/53/711897453.db2.gz UOXQDHHSILGCEN-LBPRGKRZSA-N 1 2 248.370 2.906 20 0 BFADLO COCC[C@H](C)Nc1ccc2c(c1)CCC[N@H+]2C ZINC000182954598 711897454 /nfs/dbraw/zinc/89/74/54/711897454.db2.gz UOXQDHHSILGCEN-LBPRGKRZSA-N 1 2 248.370 2.906 20 0 BFADLO COCC[C@H](C)Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000182954598 711897456 /nfs/dbraw/zinc/89/74/56/711897456.db2.gz UOXQDHHSILGCEN-LBPRGKRZSA-N 1 2 248.370 2.906 20 0 BFADLO CCC(F)(F)C[NH2+][C@H](C)C1(Cl)CC1 ZINC000702286589 712044971 /nfs/dbraw/zinc/04/49/71/712044971.db2.gz SIACEFMZNRHRMU-SSDOTTSWSA-N 1 2 211.683 2.781 20 0 BFADLO Cc1conc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000708334573 712188352 /nfs/dbraw/zinc/18/83/52/712188352.db2.gz JBZCTKJTHBETDE-CYBMUJFWSA-N 1 2 246.285 2.899 20 0 BFADLO c1ccc(N[C@@H](C2CCC2)[C@H]2CCOC2)[nH+]c1 ZINC000711854008 712337071 /nfs/dbraw/zinc/33/70/71/712337071.db2.gz CJUQKSQTMFOHAP-JSGCOSHPSA-N 1 2 232.327 2.699 20 0 BFADLO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccccc1F ZINC000379176431 712370670 /nfs/dbraw/zinc/37/06/70/712370670.db2.gz QSAFVAVACZWTHX-MFKMUULPSA-N 1 2 245.301 2.818 20 0 BFADLO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccns1 ZINC000716049395 712548584 /nfs/dbraw/zinc/54/85/84/712548584.db2.gz VYRUKRUEUAMZCD-SECBINFHSA-N 1 2 248.355 2.525 20 0 BFADLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccns1 ZINC000715995826 712551379 /nfs/dbraw/zinc/55/13/79/712551379.db2.gz DRMUTEKFNBHBKA-GUBZILKMSA-N 1 2 248.355 2.696 20 0 BFADLO Cc1csc(C[NH2+][C@@H](C)c2ccns2)n1 ZINC000715998315 712551727 /nfs/dbraw/zinc/55/17/27/712551727.db2.gz MLRWBWZEYCXIMK-QMMMGPOBSA-N 1 2 239.369 2.759 20 0 BFADLO Cc1cnc(C[NH2+][C@H](C)c2ccns2)s1 ZINC000715999415 712551731 /nfs/dbraw/zinc/55/17/31/712551731.db2.gz PWHAXFBGGPCEBL-MRVPVSSYSA-N 1 2 239.369 2.759 20 0 BFADLO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1cccc[nH+]1 ZINC000716594097 712564687 /nfs/dbraw/zinc/56/46/87/712564687.db2.gz QBWAPRFTTOJDCN-WISYIIOYSA-N 1 2 202.301 2.786 20 0 BFADLO CC(C)[N@H+](C/C(Cl)=C/Cl)[C@H]1CCOC1 ZINC000812861398 712586871 /nfs/dbraw/zinc/58/68/71/712586871.db2.gz UCFCNEOSAWRASL-BSKOKIOFSA-N 1 2 238.158 2.805 20 0 BFADLO CC(C)[N@@H+](C/C(Cl)=C/Cl)[C@H]1CCOC1 ZINC000812861398 712586872 /nfs/dbraw/zinc/58/68/72/712586872.db2.gz UCFCNEOSAWRASL-BSKOKIOFSA-N 1 2 238.158 2.805 20 0 BFADLO C[N@H+](Cc1ccccc1)Cc1cc(F)ncc1F ZINC000813334710 712587920 /nfs/dbraw/zinc/58/79/20/712587920.db2.gz VPIRBVZLKCUKLY-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO C[N@@H+](Cc1ccccc1)Cc1cc(F)ncc1F ZINC000813334710 712587922 /nfs/dbraw/zinc/58/79/22/712587922.db2.gz VPIRBVZLKCUKLY-UHFFFAOYSA-N 1 2 248.276 2.992 20 0 BFADLO Cc1coc(C[NH2+]Cc2nc(C)cs2)c1 ZINC000718121810 712745534 /nfs/dbraw/zinc/74/55/34/712745534.db2.gz DPZFPYATSSZRHY-UHFFFAOYSA-N 1 2 222.313 2.643 20 0 BFADLO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)C(F)F ZINC000720733360 712862750 /nfs/dbraw/zinc/86/27/50/712862750.db2.gz AOBAYBGITAEJIZ-DTWKUNHWSA-N 1 2 241.281 2.753 20 0 BFADLO COc1cc(F)c(F)cc1C[N@@H+]1CC[C@H]1C ZINC001143387930 958217212 /nfs/dbraw/zinc/21/72/12/958217212.db2.gz XHBWPABFPJVHBC-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO COc1cc(F)c(F)cc1C[N@H+]1CC[C@H]1C ZINC001143387930 958217231 /nfs/dbraw/zinc/21/72/31/958217231.db2.gz XHBWPABFPJVHBC-MRVPVSSYSA-N 1 2 227.254 2.568 20 0 BFADLO CCOc1cccnc1NC(=[NH2+])C(C)(C)C ZINC001155181862 963006817 /nfs/dbraw/zinc/00/68/17/963006817.db2.gz URYMVESNTGTENY-UHFFFAOYSA-N 1 2 221.304 2.916 20 0 BFADLO CSc1cc[nH+]c(N[C@@H](C)c2ccno2)c1 ZINC001163214674 965309871 /nfs/dbraw/zinc/30/98/71/965309871.db2.gz HFUYJASIXOYLRJ-QMMMGPOBSA-N 1 2 235.312 2.965 20 0 BFADLO CCCN(CCOC)c1cc(SC)cc[nH+]1 ZINC001163648028 965491116 /nfs/dbraw/zinc/49/11/16/965491116.db2.gz POXZFCQMCCYKDK-UHFFFAOYSA-N 1 2 240.372 2.666 20 0 BFADLO CSc1cc[nH+]c(N2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001165366812 966066487 /nfs/dbraw/zinc/06/64/87/966066487.db2.gz XQKHHPIIFBQFNX-INTQDDNPSA-N 1 2 238.331 2.598 20 0 BFADLO CCOC(=O)CCCCCn1c[nH+]c(CC)c1 ZINC001166822049 966421137 /nfs/dbraw/zinc/42/11/37/966421137.db2.gz IKMJORNPJTXDSZ-UHFFFAOYSA-N 1 2 238.331 2.569 20 0 BFADLO CCc1[nH]ncc1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001237648483 966683982 /nfs/dbraw/zinc/68/39/82/966683982.db2.gz BAUFCJZLIUGCMH-CYBMUJFWSA-N 1 2 239.338 2.686 20 0 BFADLO CCc1[nH]ncc1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001237648483 966683987 /nfs/dbraw/zinc/68/39/87/966683987.db2.gz BAUFCJZLIUGCMH-CYBMUJFWSA-N 1 2 239.338 2.686 20 0 BFADLO FC(F)(F)Oc1ccccc1C[NH+]1CC=CC1 ZINC001204424126 966996827 /nfs/dbraw/zinc/99/68/27/966996827.db2.gz VVWWARAKIYQHNN-UHFFFAOYSA-N 1 2 243.228 2.957 20 0 BFADLO Cc1cc(Cc2c[nH+]cc(C)c2C)on1 ZINC001250363687 967771386 /nfs/dbraw/zinc/77/13/86/967771386.db2.gz SUEFNWAXRMWIOY-UHFFFAOYSA-N 1 2 202.257 2.586 20 0 BFADLO CCc1[nH+]c2ccc(F)c(F)c2n1CC ZINC001250426738 967842772 /nfs/dbraw/zinc/84/27/72/967842772.db2.gz RCOBDCMKZDUJSN-UHFFFAOYSA-N 1 2 210.227 2.897 20 0 BFADLO CC/C=C\CCC[N@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001208134281 969034967 /nfs/dbraw/zinc/03/49/67/969034967.db2.gz IHXIWRZLFPMVRD-XCPMARJRSA-N 1 2 203.276 2.725 20 0 BFADLO CC/C=C\CCC[N@@H+]1C[C@@H](F)[C@@H](F)C1 ZINC001208134281 969034974 /nfs/dbraw/zinc/03/49/74/969034974.db2.gz IHXIWRZLFPMVRD-XCPMARJRSA-N 1 2 203.276 2.725 20 0 BFADLO CC/C=C\CCC[N@@H+]1CCCC(=O)[C@H](F)C1 ZINC001208134931 969035891 /nfs/dbraw/zinc/03/58/91/969035891.db2.gz SMDRXWJYBSFXPY-VSQXVHSFSA-N 1 2 227.323 2.736 20 0 BFADLO CC/C=C\CCC[N@H+]1CCCC(=O)[C@H](F)C1 ZINC001208134931 969035898 /nfs/dbraw/zinc/03/58/98/969035898.db2.gz SMDRXWJYBSFXPY-VSQXVHSFSA-N 1 2 227.323 2.736 20 0 BFADLO OC[C@@H]1C[N@H+](CCC2CCCC2)CC(F)(F)C1 ZINC001208690248 969196793 /nfs/dbraw/zinc/19/67/93/969196793.db2.gz DHMDXWGWNZJPAD-LBPRGKRZSA-N 1 2 247.329 2.516 20 0 BFADLO OC[C@@H]1C[N@@H+](CCC2CCCC2)CC(F)(F)C1 ZINC001208690248 969196795 /nfs/dbraw/zinc/19/67/95/969196795.db2.gz DHMDXWGWNZJPAD-LBPRGKRZSA-N 1 2 247.329 2.516 20 0 BFADLO COc1cc[nH+]cc1NCCC1CCC1 ZINC001168888777 969246178 /nfs/dbraw/zinc/24/61/78/969246178.db2.gz SOTRHBXUPBVNBI-UHFFFAOYSA-N 1 2 206.289 2.692 20 0 BFADLO Cc1c[nH+]cc(Nc2cnnc(Cl)c2)c1C ZINC001213523515 970344618 /nfs/dbraw/zinc/34/46/18/970344618.db2.gz UTSINGAHTBDJRI-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO C[C@H](CC(F)(F)F)[NH+]1CC2(C1)CCCCO2 ZINC001255652840 970429732 /nfs/dbraw/zinc/42/97/32/970429732.db2.gz QYBCDDXSZGEHNS-SECBINFHSA-N 1 2 237.265 2.582 20 0 BFADLO Cc1scnc1C[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001232210868 977936983 /nfs/dbraw/zinc/93/69/83/977936983.db2.gz UNSAEJVZIHOUBS-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO c1cc2c(s1)C[N@H+](Cc1cnsc1)CC2 ZINC001232226894 977957046 /nfs/dbraw/zinc/95/70/46/977957046.db2.gz DZWUZGGORWNYKG-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO c1cc2c(s1)C[N@@H+](Cc1cnsc1)CC2 ZINC001232226894 977957054 /nfs/dbraw/zinc/95/70/54/977957054.db2.gz DZWUZGGORWNYKG-UHFFFAOYSA-N 1 2 236.365 2.763 20 0 BFADLO Cc1c(C[NH+]2CCSCC2)ccnc1Cl ZINC001232750156 978263322 /nfs/dbraw/zinc/26/33/22/978263322.db2.gz SHCHSYWBVZZWFJ-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@H](C)CCC(C)C)no1 ZINC001256364268 970764447 /nfs/dbraw/zinc/76/44/47/970764447.db2.gz RIJIEZXHGWVWJR-SNVBAGLBSA-N 1 2 225.336 2.635 20 0 BFADLO Cc1nc(C[N@H+](C)[C@H](C)CCC(C)C)no1 ZINC001256364268 970764460 /nfs/dbraw/zinc/76/44/60/970764460.db2.gz RIJIEZXHGWVWJR-SNVBAGLBSA-N 1 2 225.336 2.635 20 0 BFADLO Cc1cnsc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001233319016 978554380 /nfs/dbraw/zinc/55/43/80/978554380.db2.gz ZCXKRSYWXZEWDA-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cnsc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001233319016 978554387 /nfs/dbraw/zinc/55/43/87/978554387.db2.gz ZCXKRSYWXZEWDA-MNOVXSKESA-N 1 2 246.326 2.724 20 0 BFADLO Cc1cc(Nc2ccc(C)[nH+]c2C)on1 ZINC001203363523 978911407 /nfs/dbraw/zinc/91/14/07/978911407.db2.gz UYUKGABMKPFMIR-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO Cc1cnc(F)c(C[N@@H+](C)C2CC(F)(F)C2)c1 ZINC001235333264 979028480 /nfs/dbraw/zinc/02/84/80/979028480.db2.gz XGUNUVHDCRWNPY-UHFFFAOYSA-N 1 2 244.260 2.759 20 0 BFADLO Cc1cnc(F)c(C[N@H+](C)C2CC(F)(F)C2)c1 ZINC001235333264 979028484 /nfs/dbraw/zinc/02/84/84/979028484.db2.gz XGUNUVHDCRWNPY-UHFFFAOYSA-N 1 2 244.260 2.759 20 0 BFADLO Cc1ccnc(C[NH+]2CCSCC2)c1Cl ZINC001235577847 979102567 /nfs/dbraw/zinc/10/25/67/979102567.db2.gz GCMPRMKUJLHZCD-UHFFFAOYSA-N 1 2 242.775 2.592 20 0 BFADLO CC(C)[N@H+](C)Cc1c(F)ccnc1Cl ZINC001238226699 980229992 /nfs/dbraw/zinc/22/99/92/980229992.db2.gz ZTKXXWIAKDJJIX-UHFFFAOYSA-N 1 2 216.687 2.714 20 0 BFADLO CC(C)[N@@H+](C)Cc1c(F)ccnc1Cl ZINC001238226699 980230006 /nfs/dbraw/zinc/23/00/06/980230006.db2.gz ZTKXXWIAKDJJIX-UHFFFAOYSA-N 1 2 216.687 2.714 20 0 BFADLO CCC[C@H](C)C(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001345250631 980590436 /nfs/dbraw/zinc/59/04/36/980590436.db2.gz DXDMERZXWNBCRS-NSHDSACASA-N 1 2 238.331 2.598 20 0 BFADLO Cc1cc(Cl)c(N)c(CCn2cc[nH+]c2)c1 ZINC001250320819 980762227 /nfs/dbraw/zinc/76/22/27/980762227.db2.gz QDVSQDKWSBVFBS-UHFFFAOYSA-N 1 2 235.718 2.670 20 0 BFADLO Cc1cccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c1 ZINC001203888737 982638788 /nfs/dbraw/zinc/63/87/88/982638788.db2.gz ZRYYLIDTJYYYDC-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1cccc(CO)c1 ZINC001241510638 982667650 /nfs/dbraw/zinc/66/76/50/982667650.db2.gz TYGMACDSGYLYDG-UHFFFAOYSA-N 1 2 213.280 2.858 20 0 BFADLO CC(C)(C)C[NH+]1CC(Oc2ccccc2F)C1 ZINC001201443090 983246218 /nfs/dbraw/zinc/24/62/18/983246218.db2.gz OZINGGFEAGDSSA-UHFFFAOYSA-N 1 2 237.318 2.935 20 0 BFADLO CCCCCC[N@@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201743077 983446581 /nfs/dbraw/zinc/44/65/81/983446581.db2.gz JMWJMVKMHCABJF-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO CCCCCC[N@H+]1C[C@H](CO)CC(F)(F)C1 ZINC001201743077 983446584 /nfs/dbraw/zinc/44/65/84/983446584.db2.gz JMWJMVKMHCABJF-LLVKDONJSA-N 1 2 235.318 2.516 20 0 BFADLO C[C@H]1CCCC[C@H]1OCc1c[nH+]cn1C ZINC001222595244 972594195 /nfs/dbraw/zinc/59/41/95/972594195.db2.gz UXRWCEZCEQQTBO-CMPLNLGQSA-N 1 2 208.305 2.515 20 0 BFADLO CCOC[C@@H](C)OCc1cc(C)[nH+]c(C)c1 ZINC001223422795 973061518 /nfs/dbraw/zinc/06/15/18/973061518.db2.gz ZSYMISGFXYSPPA-GFCCVEGCSA-N 1 2 223.316 2.640 20 0 BFADLO CC1(c2ccc(-c3ccc[nH+]c3N)cc2)COC1 ZINC001243475419 970771930 /nfs/dbraw/zinc/77/19/30/970771930.db2.gz HQXGACMHIUBOGX-UHFFFAOYSA-N 1 2 240.306 2.619 20 0 BFADLO Cc1cc(-c2cc(F)cc(CO)c2)cc(C)[nH+]1 ZINC001243696224 970849924 /nfs/dbraw/zinc/84/99/24/970849924.db2.gz AEAPESZTMJAOQM-UHFFFAOYSA-N 1 2 231.270 2.997 20 0 BFADLO CC(C)OCCCNc1ccc(Cl)c(N)[nH+]1 ZINC001157871960 970850686 /nfs/dbraw/zinc/85/06/86/970850686.db2.gz CILKAJOQDXSTTJ-UHFFFAOYSA-N 1 2 243.738 2.544 20 0 BFADLO Cc1ccc(-c2nnc(C[NH+]3CCC3)o2)cc1C ZINC001256583217 970869982 /nfs/dbraw/zinc/86/99/82/970869982.db2.gz UAUULZQRZBHOFO-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO CCc1cc(Nc2c[nH+]ccc2OC)ccc1N ZINC001216036392 970909805 /nfs/dbraw/zinc/90/98/05/970909805.db2.gz RKVRETBAAMKTHD-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO Cc1cc(CNC(=O)c2ccsc2)cc(C)[nH+]1 ZINC001130043682 970919962 /nfs/dbraw/zinc/91/99/62/970919962.db2.gz XIFQGGCIDONQJD-UHFFFAOYSA-N 1 2 246.335 2.690 20 0 BFADLO CCCC(CCC)[NH+]1CC(O)(C(F)(F)F)C1 ZINC001257335706 971242906 /nfs/dbraw/zinc/24/29/06/971242906.db2.gz ZRLWIOXAINBJEK-UHFFFAOYSA-N 1 2 239.281 2.564 20 0 BFADLO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C(=O)OC1CCCC1 ZINC000809652651 971274460 /nfs/dbraw/zinc/27/44/60/971274460.db2.gz KBIRIEVIULCKBB-GVXVVHGQSA-N 1 2 239.359 2.639 20 0 BFADLO C[C@H]1C[C@H](Nc2cc(N)nc[nH+]2)c2ccccc21 ZINC001158475094 971281599 /nfs/dbraw/zinc/28/15/99/971281599.db2.gz XASBRYPYZMUNSG-CABZTGNLSA-N 1 2 240.310 2.719 20 0 BFADLO C1CCC(c2nnc([C@H]3CC4CC[NH+]3CC4)o2)C1 ZINC001257489600 971412870 /nfs/dbraw/zinc/41/28/70/971412870.db2.gz KZCOVTCRGGAOAZ-GFCCVEGCSA-N 1 2 247.342 2.884 20 0 BFADLO Cc1cc(S)ccc1O[C@H]1CCC[NH2+]CC1 ZINC001217996457 971564469 /nfs/dbraw/zinc/56/44/69/971564469.db2.gz HZQYFLKHYQRIDE-NSHDSACASA-N 1 2 237.368 2.805 20 0 BFADLO C[C@@H](Oc1ccc(S)cc1)C1CC[NH2+]CC1 ZINC001218000653 971564720 /nfs/dbraw/zinc/56/47/20/971564720.db2.gz BJTIVDRZVJAPBJ-SNVBAGLBSA-N 1 2 237.368 2.742 20 0 BFADLO Cc1cc(C)cc(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218005465 971567331 /nfs/dbraw/zinc/56/73/31/971567331.db2.gz KMVXUSXPZBSSCS-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO Cc1ccc(C)c(O[C@H]2CC[NH2+]CC2(F)F)c1 ZINC001218004942 971567930 /nfs/dbraw/zinc/56/79/30/971567930.db2.gz HVPGMKIJDFMNOW-LBPRGKRZSA-N 1 2 241.281 2.679 20 0 BFADLO FC1(F)C[NH2+]CC[C@@H]1Oc1ccccc1Cl ZINC001218006358 971568806 /nfs/dbraw/zinc/56/88/06/971568806.db2.gz QUVFPLLMXGPFAP-JTQLQIEISA-N 1 2 247.672 2.716 20 0 BFADLO FC1(F)C[NH2+]CC[C@H]1Oc1ccc(Cl)cc1 ZINC001218004306 971569625 /nfs/dbraw/zinc/56/96/25/971569625.db2.gz CJVWAQMMTQYQCB-SNVBAGLBSA-N 1 2 247.672 2.716 20 0 BFADLO FC1(F)C[NH2+]CC[C@@H]1Oc1ccc(Cl)cc1 ZINC001218004305 971570388 /nfs/dbraw/zinc/57/03/88/971570388.db2.gz CJVWAQMMTQYQCB-JTQLQIEISA-N 1 2 247.672 2.716 20 0 BFADLO CCc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218006134 971570550 /nfs/dbraw/zinc/57/05/50/971570550.db2.gz IUEKZPNNGONJSG-LBPRGKRZSA-N 1 2 241.281 2.625 20 0 BFADLO Fc1cc(C[NH+]2CC=CC2)ccc1Cl ZINC001137649742 971621120 /nfs/dbraw/zinc/62/11/20/971621120.db2.gz LHMANUXTHJGPII-UHFFFAOYSA-N 1 2 211.667 2.851 20 0 BFADLO C[C@@H]1CC[C@H](C)[C@H](Oc2cc(N)cc[nH+]2)C1 ZINC001218290296 971686261 /nfs/dbraw/zinc/68/62/61/971686261.db2.gz ACJZESHSWXEQHS-JFGNBEQYSA-N 1 2 220.316 2.867 20 0 BFADLO CC(C)C(Oc1ccc[nH+]c1N)C(C)C ZINC001218294140 971692656 /nfs/dbraw/zinc/69/26/56/971692656.db2.gz JCNGUHNXXAGRNY-UHFFFAOYSA-N 1 2 208.305 2.723 20 0 BFADLO Nc1cc[nH+]c(O[C@@H]2CC3CCC2CC3)c1 ZINC001218300605 971700505 /nfs/dbraw/zinc/70/05/05/971700505.db2.gz PEOOPNPPOVUOTP-RTYFJBAXSA-N 1 2 218.300 2.621 20 0 BFADLO CC1(C)C[C@@H](Oc2ccc(S)cc2)CC[NH2+]1 ZINC001218469285 971825566 /nfs/dbraw/zinc/82/55/66/971825566.db2.gz JYVORSSAVYPJTR-NSHDSACASA-N 1 2 237.368 2.885 20 0 BFADLO Cc1cc(-c2cccc3c2COC3)c[nH+]c1N ZINC001245539703 971855515 /nfs/dbraw/zinc/85/55/15/971855515.db2.gz OXUKUHMDAHBIOJ-UHFFFAOYSA-N 1 2 226.279 2.669 20 0 BFADLO COc1ccc(NCOc2ccccc2)[nH+]c1C ZINC001170809735 971877285 /nfs/dbraw/zinc/87/72/85/971877285.db2.gz SRWRNSWGUYAOMW-UHFFFAOYSA-N 1 2 244.294 2.847 20 0 BFADLO Nc1ncc(-c2ccc3[nH+]ccn3c2)cc1Cl ZINC001245567755 971877682 /nfs/dbraw/zinc/87/76/82/971877682.db2.gz YFBOQDOVTRBIQQ-UHFFFAOYSA-N 1 2 244.685 2.632 20 0 BFADLO Fc1cccc2c1C[C@H]([NH2+][C@H]1CC1(F)F)CC2 ZINC001170951007 972139408 /nfs/dbraw/zinc/13/94/08/972139408.db2.gz WRYXOKXGWGIZDR-SKDRFNHKSA-N 1 2 241.256 2.680 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC001172365176 974641653 /nfs/dbraw/zinc/64/16/53/974641653.db2.gz JELMONNQCMZAHK-CKYFFXLPSA-N 1 2 237.347 2.635 20 0 BFADLO Cc1ccc([C@H](C)CC[NH+]2CC3(CCO3)C2)o1 ZINC001208154222 957032099 /nfs/dbraw/zinc/03/20/99/957032099.db2.gz DYIYJBHRZPKZMS-LLVKDONJSA-N 1 2 235.327 2.556 20 0 BFADLO Cc1cc(C[N@@H+]2CCCC(=O)CC2)cc(C)c1F ZINC001143373894 957033827 /nfs/dbraw/zinc/03/38/27/957033827.db2.gz DKECOXXGFOKJDE-UHFFFAOYSA-N 1 2 249.329 2.998 20 0 BFADLO Cc1cc(C[N@H+]2CCCC(=O)CC2)cc(C)c1F ZINC001143373894 957033841 /nfs/dbraw/zinc/03/38/41/957033841.db2.gz DKECOXXGFOKJDE-UHFFFAOYSA-N 1 2 249.329 2.998 20 0 BFADLO Cc1cc2c(cn1)CN(c1[nH+]ccc(F)c1C)C2 ZINC001167113155 957393460 /nfs/dbraw/zinc/39/34/60/957393460.db2.gz ZGPASQVGLRTFPN-UHFFFAOYSA-N 1 2 243.285 2.753 20 0 BFADLO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001209410576 957421450 /nfs/dbraw/zinc/42/14/50/957421450.db2.gz KZPQRZMCQJMIHK-UTLUCORTSA-N 1 2 221.266 2.569 20 0 BFADLO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CF)C(F)(F)C1 ZINC001209410576 957421457 /nfs/dbraw/zinc/42/14/57/957421457.db2.gz KZPQRZMCQJMIHK-UTLUCORTSA-N 1 2 221.266 2.569 20 0 BFADLO Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)[nH]1 ZINC001209570777 957506903 /nfs/dbraw/zinc/50/69/03/957506903.db2.gz VEHUOBLVAPGPQI-NSHDSACASA-N 1 2 246.276 2.892 20 0 BFADLO Cc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)[nH]1 ZINC001209570777 957506912 /nfs/dbraw/zinc/50/69/12/957506912.db2.gz VEHUOBLVAPGPQI-NSHDSACASA-N 1 2 246.276 2.892 20 0 BFADLO Cc1nc(Nc2c[nH+]c(C)c(N)c2)sc1C ZINC001210286027 957714321 /nfs/dbraw/zinc/71/43/21/957714321.db2.gz USTRNTLYWINQAC-UHFFFAOYSA-N 1 2 234.328 2.789 20 0 BFADLO Cc1ccn2c(C[N@@H+]3CCC[C@H](F)C3)cnc2c1 ZINC001136888855 972294948 /nfs/dbraw/zinc/29/49/48/972294948.db2.gz HPMMKLNWUVIBKK-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO Cc1ccn2c(C[N@H+]3CCC[C@H](F)C3)cnc2c1 ZINC001136888855 972294951 /nfs/dbraw/zinc/29/49/51/972294951.db2.gz HPMMKLNWUVIBKK-LBPRGKRZSA-N 1 2 247.317 2.577 20 0 BFADLO CC[NH+](CC)c1ccc(C)c(NC2CC(=O)C2)c1 ZINC001167348032 957849515 /nfs/dbraw/zinc/84/95/15/957849515.db2.gz OEKJTKXJAJDIOX-UHFFFAOYSA-N 1 2 246.354 2.985 20 0 BFADLO Cc1ccc(CO)cc1Nc1[nH+]cc(O)cc1C ZINC001210678075 957850455 /nfs/dbraw/zinc/85/04/55/957850455.db2.gz OIULUNJSRCFAKB-UHFFFAOYSA-N 1 2 244.294 2.640 20 0 BFADLO Oc1ccc(F)c(Nc2cccc3[nH+]ccn32)c1 ZINC001210799357 957902917 /nfs/dbraw/zinc/90/29/17/957902917.db2.gz XHPINVJIXINKRK-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO C[N@H+](Cc1cccnc1)Cc1cncc(Cl)c1 ZINC001136988726 972312545 /nfs/dbraw/zinc/31/25/45/972312545.db2.gz PSUUEOKCOQDHIV-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[N@@H+](Cc1cccnc1)Cc1cncc(Cl)c1 ZINC001136988726 972312548 /nfs/dbraw/zinc/31/25/48/972312548.db2.gz PSUUEOKCOQDHIV-UHFFFAOYSA-N 1 2 247.729 2.762 20 0 BFADLO C[C@@H]1COCC[N@@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979511 972310442 /nfs/dbraw/zinc/31/04/42/972310442.db2.gz LFXHYTVMYVENFY-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO C[C@@H]1COCC[N@H+]1Cc1c[nH]c2cccc(F)c12 ZINC001136979511 972310446 /nfs/dbraw/zinc/31/04/46/972310446.db2.gz LFXHYTVMYVENFY-SNVBAGLBSA-N 1 2 248.301 2.528 20 0 BFADLO CC1(C)C[NH+](Cc2cncc(Cl)c2)C1 ZINC001136988749 972314179 /nfs/dbraw/zinc/31/41/79/972314179.db2.gz RJNOXEPVCVOGPM-UHFFFAOYSA-N 1 2 210.708 2.577 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(F)c(O)c1 ZINC001211213588 958057962 /nfs/dbraw/zinc/05/79/62/958057962.db2.gz COMFSGDHCATEOZ-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CO3)cc(C)c1F ZINC001143385483 958196037 /nfs/dbraw/zinc/19/60/37/958196037.db2.gz UPTUDYWJVHIBHY-ZIAGYGMSSA-N 1 2 249.329 2.806 20 0 BFADLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CO3)cc(C)c1F ZINC001143385483 958196051 /nfs/dbraw/zinc/19/60/51/958196051.db2.gz UPTUDYWJVHIBHY-ZIAGYGMSSA-N 1 2 249.329 2.806 20 0 BFADLO CCc1cc(Nc2c[nH+]cc(C)c2C)on1 ZINC001213527551 958209489 /nfs/dbraw/zinc/20/94/89/958209489.db2.gz SJOMPPFYLIIOAT-UHFFFAOYSA-N 1 2 217.272 2.992 20 0 BFADLO Cc1c[nH+]cc(Nc2cc([C@@H](C)O)ccn2)c1C ZINC001213528682 958225118 /nfs/dbraw/zinc/22/51/18/958225118.db2.gz LGYALMQDFPVQAO-LLVKDONJSA-N 1 2 243.310 2.890 20 0 BFADLO Cc1c[nH+]cc(Nc2cc([C@H](C)O)ccn2)c1C ZINC001213528683 958227829 /nfs/dbraw/zinc/22/78/29/958227829.db2.gz LGYALMQDFPVQAO-NSHDSACASA-N 1 2 243.310 2.890 20 0 BFADLO CCCC[C@H](CC(C)C)N[C@@H]1C[NH2+]CC1(F)F ZINC001246458981 972334139 /nfs/dbraw/zinc/33/41/39/972334139.db2.gz IFBSWUGMOQCFEJ-VXGBXAGGSA-N 1 2 248.361 2.788 20 0 BFADLO COc1ccc(C[NH+]2CCC2)cc1C(F)(F)F ZINC001143629264 972348029 /nfs/dbraw/zinc/34/80/29/972348029.db2.gz ZKMKUJYKJYRONU-UHFFFAOYSA-N 1 2 245.244 2.920 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@@H+]1CC[C@H](F)C1 ZINC001143757617 972360370 /nfs/dbraw/zinc/36/03/70/972360370.db2.gz GXTCAQQEIUNQTR-JTQLQIEISA-N 1 2 229.245 2.817 20 0 BFADLO Cc1c(F)cc(F)cc1C[N@H+]1CC[C@H](F)C1 ZINC001143757617 972360373 /nfs/dbraw/zinc/36/03/73/972360373.db2.gz GXTCAQQEIUNQTR-JTQLQIEISA-N 1 2 229.245 2.817 20 0 BFADLO CCOc1ccc(-c2cc[nH+]c(NC)c2)c(C)n1 ZINC001222117110 972369449 /nfs/dbraw/zinc/36/94/49/972369449.db2.gz YYHWNUNTLISCNK-UHFFFAOYSA-N 1 2 243.310 2.892 20 0 BFADLO CC[N@H+](C)Cc1c(Cl)ccc(OC)c1F ZINC001143885762 972376630 /nfs/dbraw/zinc/37/66/30/972376630.db2.gz CJHQBJVJRMSFHM-UHFFFAOYSA-N 1 2 231.698 2.939 20 0 BFADLO CC[N@@H+](C)Cc1c(Cl)ccc(OC)c1F ZINC001143885762 972376644 /nfs/dbraw/zinc/37/66/44/972376644.db2.gz CJHQBJVJRMSFHM-UHFFFAOYSA-N 1 2 231.698 2.939 20 0 BFADLO Cc1ccccc1Cc1noc([C@H](C)[NH+](C)C)n1 ZINC000349684360 958820680 /nfs/dbraw/zinc/82/06/80/958820680.db2.gz UMFPYYMHOWUTDP-NSHDSACASA-N 1 2 245.326 2.591 20 0 BFADLO COc1ccc(Cl)c(C[NH+](C)C)c1F ZINC001143885673 972379779 /nfs/dbraw/zinc/37/97/79/972379779.db2.gz AKDCCVUCNGIWGO-UHFFFAOYSA-N 1 2 217.671 2.549 20 0 BFADLO C[C@@H]1CC[C@@H](OCCn2cc[nH+]c2)C[C@H]1C ZINC001222134508 972381196 /nfs/dbraw/zinc/38/11/96/972381196.db2.gz FNNAHMWTTIVRJC-JHJVBQTASA-N 1 2 222.332 2.724 20 0 BFADLO CC1(C)CCC(OCCn2cc[nH+]c2)CC1 ZINC001222134151 972381497 /nfs/dbraw/zinc/38/14/97/972381497.db2.gz AQHDYSQSEFLWSQ-UHFFFAOYSA-N 1 2 222.332 2.869 20 0 BFADLO CC[C@@H]1CCCC[C@@H]1OCCn1cc[nH+]c1 ZINC001222135170 972381637 /nfs/dbraw/zinc/38/16/37/972381637.db2.gz XAVGBINCCQPYSL-OLZOCXBDSA-N 1 2 222.332 2.869 20 0 BFADLO CCCCC[C@@H](C)OCCn1cc[nH+]c1 ZINC001222134667 972383043 /nfs/dbraw/zinc/38/30/43/972383043.db2.gz JQBQPKPJOFKGBN-GFCCVEGCSA-N 1 2 210.321 2.869 20 0 BFADLO Fc1ccc2c(c1)CC[C@@H]2OCCn1cc[nH+]c1 ZINC001222139142 972387041 /nfs/dbraw/zinc/38/70/41/972387041.db2.gz OJGFIYDHGSWYPA-AWEZNQCLSA-N 1 2 246.285 2.726 20 0 BFADLO CCc1ccc(F)c(NCc2cc[nH+]c(N)c2)c1 ZINC001167619230 959087521 /nfs/dbraw/zinc/08/75/21/959087521.db2.gz WICXUELBVHDNAD-UHFFFAOYSA-N 1 2 245.301 2.977 20 0 BFADLO CCOc1ccc(NCc2cc[nH+]c(N)c2)cc1 ZINC001167617559 959088562 /nfs/dbraw/zinc/08/85/62/959088562.db2.gz PIGZHZDTHYGTTE-UHFFFAOYSA-N 1 2 243.310 2.675 20 0 BFADLO COc1ccc(F)c(C[N@@H+]2CC[C@@H]2C)c1F ZINC001143971890 972446885 /nfs/dbraw/zinc/44/68/85/972446885.db2.gz ZQIJIDMMPWZILB-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1ccc(F)c(C[N@H+]2CC[C@@H]2C)c1F ZINC001143971890 972446888 /nfs/dbraw/zinc/44/68/88/972446888.db2.gz ZQIJIDMMPWZILB-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO C[C@@H]1CCC[C@@H](Oc2cc(N)cc[nH+]2)[C@@H]1C ZINC001218352659 959987354 /nfs/dbraw/zinc/98/73/54/959987354.db2.gz JNJICRCBPVJZGV-CKYFFXLPSA-N 1 2 220.316 2.867 20 0 BFADLO Cc1ccc(F)cc1C[NH+]1CC(OC(C)C)C1 ZINC001140592250 960444234 /nfs/dbraw/zinc/44/42/34/960444234.db2.gz CDPFAFSCIIDNBS-UHFFFAOYSA-N 1 2 237.318 2.743 20 0 BFADLO Oc1ccc(C[NH+]2CC3CC(C3)C2)c(F)c1F ZINC001140892333 960668892 /nfs/dbraw/zinc/66/88/92/960668892.db2.gz IZBWTFNTARWBKA-UHFFFAOYSA-N 1 2 239.265 2.512 20 0 BFADLO C[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(F)c1F ZINC001140890204 960670399 /nfs/dbraw/zinc/67/03/99/960670399.db2.gz YYGGRFHYRKIPSF-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO C[C@@H]1CCC[N@H+]1Cc1ccc(O)c(F)c1F ZINC001140890204 960670405 /nfs/dbraw/zinc/67/04/05/960670405.db2.gz YYGGRFHYRKIPSF-MRVPVSSYSA-N 1 2 227.254 2.655 20 0 BFADLO Oc1ccc(C[N@@H+]2CCC3(CC3)C2)c(F)c1F ZINC001140887914 960670707 /nfs/dbraw/zinc/67/07/07/960670707.db2.gz IWLKVKJZEHWFGO-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO Oc1ccc(C[N@H+]2CCC3(CC3)C2)c(F)c1F ZINC001140887914 960670712 /nfs/dbraw/zinc/67/07/12/960670712.db2.gz IWLKVKJZEHWFGO-UHFFFAOYSA-N 1 2 239.265 2.656 20 0 BFADLO CC1(C)C[NH+](Cc2cnccc2C(F)(F)F)C1 ZINC001140913736 960684271 /nfs/dbraw/zinc/68/42/71/960684271.db2.gz ASEQPHSXDCKSML-UHFFFAOYSA-N 1 2 244.260 2.942 20 0 BFADLO Cc1cccc2c1CC[C@@H]2OCc1c[nH+]cn1C ZINC001222585377 960713916 /nfs/dbraw/zinc/71/39/16/960713916.db2.gz HWIOEGPLNVNQQI-HNNXBMFYSA-N 1 2 242.322 2.933 20 0 BFADLO Cc1cc(N[C@H](CO)CCF)[nH+]c2ccccc12 ZINC001327281982 972529797 /nfs/dbraw/zinc/52/97/97/972529797.db2.gz GNEISOAWPCPODB-NSHDSACASA-N 1 2 248.301 2.676 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)n[nH]1 ZINC001203083752 960773898 /nfs/dbraw/zinc/77/38/98/960773898.db2.gz NTVPVUAFDZZUDB-HNNXBMFYSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1cc(C[N@H+](C)[C@H]2CCc3ccccc32)n[nH]1 ZINC001203083752 960773905 /nfs/dbraw/zinc/77/39/05/960773905.db2.gz NTVPVUAFDZZUDB-HNNXBMFYSA-N 1 2 241.338 2.837 20 0 BFADLO Cc1ccccc1C[N@H+](C)Cc1ncco1 ZINC001141008742 960810545 /nfs/dbraw/zinc/81/05/45/960810545.db2.gz LINDTSBIIPDHEG-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO Cc1ccccc1C[N@@H+](C)Cc1ncco1 ZINC001141008742 960810548 /nfs/dbraw/zinc/81/05/48/960810548.db2.gz LINDTSBIIPDHEG-UHFFFAOYSA-N 1 2 216.284 2.615 20 0 BFADLO CC[N@H+](Cc1ncco1)Cc1cccc(OC)c1 ZINC001141011278 960816220 /nfs/dbraw/zinc/81/62/20/960816220.db2.gz WAAGYRYAXUDPSV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO CC[N@@H+](Cc1ncco1)Cc1cccc(OC)c1 ZINC001141011278 960816240 /nfs/dbraw/zinc/81/62/40/960816240.db2.gz WAAGYRYAXUDPSV-UHFFFAOYSA-N 1 2 246.310 2.705 20 0 BFADLO Cc1ccsc1C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000335746802 960819891 /nfs/dbraw/zinc/81/98/91/960819891.db2.gz SFQOVHLLLPYYQV-LLVKDONJSA-N 1 2 247.367 2.947 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cocn2)cn1 ZINC001141130709 960883104 /nfs/dbraw/zinc/88/31/04/960883104.db2.gz XKRKYTIXDDESPV-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cocn2)cn1 ZINC001141130709 960883106 /nfs/dbraw/zinc/88/31/06/960883106.db2.gz XKRKYTIXDDESPV-AWEZNQCLSA-N 1 2 243.310 2.715 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)nc2Cl)C1 ZINC001141133610 960885620 /nfs/dbraw/zinc/88/56/20/960885620.db2.gz VQJHJFJKDSNFQK-SSDOTTSWSA-N 1 2 246.141 2.625 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)nc2Cl)C1 ZINC001141133610 960885629 /nfs/dbraw/zinc/88/56/29/960885629.db2.gz VQJHJFJKDSNFQK-SSDOTTSWSA-N 1 2 246.141 2.625 20 0 BFADLO Cc1ccc(Nc2[nH+]cc(O)cc2C)cc1O ZINC001211688590 960897370 /nfs/dbraw/zinc/89/73/70/960897370.db2.gz QZLUEOACLSEXFN-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO COc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1F ZINC001141225754 960974673 /nfs/dbraw/zinc/97/46/73/960974673.db2.gz ODLQGNGXOGGCJO-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO COc1cccc(C[N@H+]2CCC[C@@H]2CF)c1F ZINC001141225754 960974763 /nfs/dbraw/zinc/97/47/63/960974763.db2.gz ODLQGNGXOGGCJO-LLVKDONJSA-N 1 2 241.281 2.768 20 0 BFADLO CCc1ccc[nH+]c1Nc1cccc(CCO)c1 ZINC001203107669 961021992 /nfs/dbraw/zinc/02/19/92/961021992.db2.gz KWXJIVWTSCBMHS-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO CC[C@H](F)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC001141525086 961091199 /nfs/dbraw/zinc/09/11/99/961091199.db2.gz CGXDNJBAVFPPLC-JTQLQIEISA-N 1 2 247.273 2.559 20 0 BFADLO CCCOCCNc1cc(C)c2[nH]ccc2[nH+]1 ZINC001167879192 961448141 /nfs/dbraw/zinc/44/81/41/961448141.db2.gz HXWHNCGHAKQXRK-UHFFFAOYSA-N 1 2 233.315 2.710 20 0 BFADLO C[C@@H](CC(=O)OC(C)(C)C)Oc1cc[nH+]cc1 ZINC001225291800 962056509 /nfs/dbraw/zinc/05/65/09/962056509.db2.gz YPRZGJJGSHLNND-JTQLQIEISA-N 1 2 237.299 2.581 20 0 BFADLO Cc1ccc(Nc2c(N)cccc2O)c(C)[nH+]1 ZINC001203375893 962408232 /nfs/dbraw/zinc/40/82/32/962408232.db2.gz FJCUEEVIWGZQPS-UHFFFAOYSA-N 1 2 229.283 2.730 20 0 BFADLO CCSc1cc[nH+]c(NCc2nccn2C)c1 ZINC001154615726 962810343 /nfs/dbraw/zinc/81/03/43/962810343.db2.gz FJOJZAQHYYIHBA-UHFFFAOYSA-N 1 2 248.355 2.539 20 0 BFADLO Cc1cc(NCC2COC2)[nH+]c2ccccc12 ZINC001154633812 962819888 /nfs/dbraw/zinc/81/98/88/962819888.db2.gz DLVUVRSLGGXHPU-UHFFFAOYSA-N 1 2 228.295 2.602 20 0 BFADLO CCc1coc(CNc2[nH+]cc(OC)cc2C)n1 ZINC001154778060 962843728 /nfs/dbraw/zinc/84/37/28/962843728.db2.gz ACMLXOCXUFTHQT-UHFFFAOYSA-N 1 2 247.298 2.561 20 0 BFADLO Cc1c(F)cc[nH+]c1NCCC1CCOCC1 ZINC001154843873 962868887 /nfs/dbraw/zinc/86/88/87/962868887.db2.gz UNZZZZBDWWFTLD-UHFFFAOYSA-N 1 2 238.306 2.758 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2F)c1 ZINC001155058806 962950007 /nfs/dbraw/zinc/95/00/07/962950007.db2.gz CTILEAJZDDHREZ-VXGBXAGGSA-N 1 2 238.306 2.921 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1ccc(Cl)nn1 ZINC001155175720 963000036 /nfs/dbraw/zinc/00/00/36/963000036.db2.gz IEZOANPHMAKYFY-UHFFFAOYSA-N 1 2 212.684 2.565 20 0 BFADLO COc1c[nH+]c(NCc2ccncc2C)c(C)c1 ZINC001155220468 963032255 /nfs/dbraw/zinc/03/22/55/963032255.db2.gz PELPVDOOIGQMMB-UHFFFAOYSA-N 1 2 243.310 2.714 20 0 BFADLO Cc1ccc(CNc2ccc(Cl)c(N)[nH+]2)cn1 ZINC001155320243 963045711 /nfs/dbraw/zinc/04/57/11/963045711.db2.gz DTAWNBREQOKOQW-UHFFFAOYSA-N 1 2 248.717 2.633 20 0 BFADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)[C@H](C)CO1 ZINC001155415938 963070293 /nfs/dbraw/zinc/07/02/93/963070293.db2.gz XNIWCBCFKIPGDQ-VXGBXAGGSA-N 1 2 242.322 2.848 20 0 BFADLO CC[C@@H](C)Nc1cc(C2(C)OCCO2)cc[nH+]1 ZINC001167998656 963208191 /nfs/dbraw/zinc/20/81/91/963208191.db2.gz JUNKFLOTCJGAQP-SNVBAGLBSA-N 1 2 236.315 2.512 20 0 BFADLO CCOC[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165708558 963254503 /nfs/dbraw/zinc/25/45/03/963254503.db2.gz SUGCDWXAZFUIOZ-LBPRGKRZSA-N 1 2 245.326 2.709 20 0 BFADLO Cc1cccc2c(C)cc(NC3CC(=O)C3)[nH+]c12 ZINC001156610837 963411141 /nfs/dbraw/zinc/41/11/41/963411141.db2.gz CJZZOGKGKKEOAJ-UHFFFAOYSA-N 1 2 240.306 2.995 20 0 BFADLO CC[C@@H](C)c1nc(Cl)c(C)c(NC=[NH2+])n1 ZINC001157079908 963524352 /nfs/dbraw/zinc/52/43/52/963524352.db2.gz HPQFQOQQYLJOAX-ZCFIWIBFSA-N 1 2 226.711 2.971 20 0 BFADLO c1cc(C2CC2)[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC001157152097 963547483 /nfs/dbraw/zinc/54/74/83/963547483.db2.gz RRAKZBYOTVACIJ-YPMHNXCESA-N 1 2 214.312 2.948 20 0 BFADLO Cc1nc(N(C)Cc2ccno2)cc(C(C)C)[nH+]1 ZINC001157351450 963580203 /nfs/dbraw/zinc/58/02/03/963580203.db2.gz WISWRDYBTCZJMA-UHFFFAOYSA-N 1 2 246.314 2.533 20 0 BFADLO CCCNc1[nH+]ccc2ccc(C(=O)OC)cc21 ZINC001157357427 963580894 /nfs/dbraw/zinc/58/08/94/963580894.db2.gz JSZJNNIBTTVTLT-UHFFFAOYSA-N 1 2 244.294 2.843 20 0 BFADLO Cc1noc(C)c1C[N@@H+](C)Cc1ncccc1C ZINC000093158857 963586503 /nfs/dbraw/zinc/58/65/03/963586503.db2.gz XQCRCLCNWPIELI-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1noc(C)c1C[N@H+](C)Cc1ncccc1C ZINC000093158857 963586507 /nfs/dbraw/zinc/58/65/07/963586507.db2.gz XQCRCLCNWPIELI-UHFFFAOYSA-N 1 2 245.326 2.627 20 0 BFADLO Cc1cc(NC[C@H]2C[C@H](F)C2)nc(C2CC2)[nH+]1 ZINC001157457520 963617133 /nfs/dbraw/zinc/61/71/33/963617133.db2.gz INFGOZALBAUMJJ-HOMQSWHASA-N 1 2 235.306 2.822 20 0 BFADLO Cc1ccc2c(c1)onc2OC1C[NH+](C(C)C)C1 ZINC001228083382 963677409 /nfs/dbraw/zinc/67/74/09/963677409.db2.gz BMXLENBFCITJGR-UHFFFAOYSA-N 1 2 246.310 2.608 20 0 BFADLO Cc1c(F)cc[nH+]c1NC[C@H]1CC(C)(C)O1 ZINC001157659940 963692180 /nfs/dbraw/zinc/69/21/80/963692180.db2.gz HFAGZVJYVWGZJP-SECBINFHSA-N 1 2 224.279 2.509 20 0 BFADLO C=Cc1ccc(NCCOc2cccnc2)[nH+]c1 ZINC001157814609 963736860 /nfs/dbraw/zinc/73/68/60/963736860.db2.gz XXZVCTCBOVKGRX-UHFFFAOYSA-N 1 2 241.294 2.611 20 0 BFADLO COc1cccnc1CNc1[nH+]ccc(F)c1C ZINC001158327581 963847641 /nfs/dbraw/zinc/84/76/41/963847641.db2.gz BTUCOPCFVNYPCZ-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CSc1cc[nH+]c(N[C@@H](C)c2cnccn2)c1 ZINC001158600676 963893986 /nfs/dbraw/zinc/89/39/86/963893986.db2.gz LGIUWLAZWPFJJC-VIFPVBQESA-N 1 2 246.339 2.767 20 0 BFADLO Cc1c[nH+]cc(NCCOC(F)(F)F)c1C ZINC001168175650 963916738 /nfs/dbraw/zinc/91/67/38/963916738.db2.gz ZBBXVZGDLJZGNO-UHFFFAOYSA-N 1 2 234.221 2.647 20 0 BFADLO CC(C)c1ccc(NCc2ncccc2O)[nH+]c1 ZINC001158774262 963924736 /nfs/dbraw/zinc/92/47/36/963924736.db2.gz JBBBVRMLTATGMR-UHFFFAOYSA-N 1 2 243.310 2.918 20 0 BFADLO CO[C@@H](C)CNc1[nH+]c(C)cc(Cl)c1C ZINC001158808512 963929763 /nfs/dbraw/zinc/92/97/63/963929763.db2.gz WUAFHCXBEZDYMB-QMMMGPOBSA-N 1 2 228.723 2.799 20 0 BFADLO Cc1nc(N(C)CC(F)F)cc(C(C)C)[nH+]1 ZINC001158925281 963955098 /nfs/dbraw/zinc/95/50/98/963955098.db2.gz DEXDQOVVTFCNCR-UHFFFAOYSA-N 1 2 229.274 2.610 20 0 BFADLO F[C@H]1C[C@H](CNc2c[nH+]c3c(c2)CCC3)C1 ZINC001168237786 964024379 /nfs/dbraw/zinc/02/43/79/964024379.db2.gz NCDHNFNTRVULDP-HOMQSWHASA-N 1 2 220.291 2.730 20 0 BFADLO CSc1cc(NC[C@H]2C[C@H](F)C2)nc(C)[nH+]1 ZINC001168234386 964029191 /nfs/dbraw/zinc/02/91/91/964029191.db2.gz WSEDPEBJZQDSKE-KYZUINATSA-N 1 2 241.335 2.667 20 0 BFADLO CCc1cc(Nc2ccc(N)[nH+]c2)ccc1OC ZINC001159282355 964049933 /nfs/dbraw/zinc/04/99/33/964049933.db2.gz UQSWZDCTCMQZLT-UHFFFAOYSA-N 1 2 243.310 2.978 20 0 BFADLO Cc1cccc(-c2noc(C[NH+]3CCC3)n2)c1C ZINC001212095498 964254374 /nfs/dbraw/zinc/25/43/74/964254374.db2.gz KOEUXZJNOWZFKJ-UHFFFAOYSA-N 1 2 243.310 2.559 20 0 BFADLO COc1ccc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213025967 964395464 /nfs/dbraw/zinc/39/54/64/964395464.db2.gz BVOBWXNEOJHLPE-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Fc1ccc(Nc2cccc3[nH+]c[nH]c32)cn1 ZINC001213026947 964418370 /nfs/dbraw/zinc/41/83/70/964418370.db2.gz ARAWCAXPUACMCH-UHFFFAOYSA-N 1 2 228.230 2.841 20 0 BFADLO CCn1cc(Nc2cccc3[nH+]c[nH]c32)c(C)n1 ZINC001213027055 964436453 /nfs/dbraw/zinc/43/64/53/964436453.db2.gz GRCBBVRKHKIYCU-UHFFFAOYSA-N 1 2 241.298 2.831 20 0 BFADLO CCC1(CNc2cc(C)c3[nH]ccc3[nH+]2)COC1 ZINC001168331005 964464261 /nfs/dbraw/zinc/46/42/61/964464261.db2.gz SZYDPFKIHAGAOV-UHFFFAOYSA-N 1 2 245.326 2.710 20 0 BFADLO c1cc2cc(Nc3cccc4[nH+]c[nH]c43)ccn2n1 ZINC001213028425 964488873 /nfs/dbraw/zinc/48/88/73/964488873.db2.gz PJKSRDPXHHTMMN-UHFFFAOYSA-N 1 2 249.277 2.954 20 0 BFADLO Fc1ccc(Nc2cccc3[nH+]c[nH]c32)c(F)n1 ZINC001213029655 964520654 /nfs/dbraw/zinc/52/06/54/964520654.db2.gz PVXHXBPISGTXFX-UHFFFAOYSA-N 1 2 246.220 2.980 20 0 BFADLO Cn1c[nH+]c2ccc(NCC(F)(F)F)cc21 ZINC001161629869 964650887 /nfs/dbraw/zinc/65/08/87/964650887.db2.gz RQCZEURKBHRWHO-UHFFFAOYSA-N 1 2 229.205 2.548 20 0 BFADLO Cc1nc2c(ccn2C)c(NCC(C)(C)C)[nH+]1 ZINC001161634859 964655033 /nfs/dbraw/zinc/65/50/33/964655033.db2.gz OVPROZSKARKHSU-UHFFFAOYSA-N 1 2 232.331 2.735 20 0 BFADLO CC(C)(C)C[NH2+]c1ccc2c(c1)NCCO2 ZINC001161639565 964656134 /nfs/dbraw/zinc/65/61/34/964656134.db2.gz VHXHDTHFDGJFMZ-UHFFFAOYSA-N 1 2 220.316 2.949 20 0 BFADLO COc1cccc2c(NC3CSC3)cc[nH+]c12 ZINC001168364414 964683511 /nfs/dbraw/zinc/68/35/11/964683511.db2.gz ORKWFJOHEABPAZ-UHFFFAOYSA-N 1 2 246.335 2.771 20 0 BFADLO CCC[C@H](C)Nc1[nH+]cc(C)cc1OC ZINC001161717018 964705787 /nfs/dbraw/zinc/70/57/87/964705787.db2.gz YGKPXOUDRIBVJP-JTQLQIEISA-N 1 2 208.305 2.999 20 0 BFADLO CCC[C@H](C)Nc1cc(N(CC)CC)nc[nH+]1 ZINC001161717011 964706526 /nfs/dbraw/zinc/70/65/26/964706526.db2.gz XZBHPPIMRKTECG-NSHDSACASA-N 1 2 236.363 2.923 20 0 BFADLO CCC[C@H](C)Nc1cc(N(CC)CC)[nH+]cn1 ZINC001161717011 964706535 /nfs/dbraw/zinc/70/65/35/964706535.db2.gz XZBHPPIMRKTECG-NSHDSACASA-N 1 2 236.363 2.923 20 0 BFADLO COc1c[nH+]c(N[C@@H]2CC=CCC2)c(C)c1 ZINC001161752806 964735802 /nfs/dbraw/zinc/73/58/02/964735802.db2.gz UEUGZMXCQJLKNH-LLVKDONJSA-N 1 2 218.300 2.919 20 0 BFADLO COCc1cc[nH+]c(N[C@@H]2CC=CCC2)c1 ZINC001161751520 964737051 /nfs/dbraw/zinc/73/70/51/964737051.db2.gz FILBPSLYUXSFRD-GFCCVEGCSA-N 1 2 218.300 2.749 20 0 BFADLO CCN(CC)c1cc(N[C@@H]2CC=CCC2)[nH+]cn1 ZINC001161754990 964740423 /nfs/dbraw/zinc/74/04/23/964740423.db2.gz ZYBAFHLGOGHNNX-GFCCVEGCSA-N 1 2 246.358 2.843 20 0 BFADLO CCN(CC)c1cc(N[C@@H]2CC=CCC2)nc[nH+]1 ZINC001161754990 964740427 /nfs/dbraw/zinc/74/04/27/964740427.db2.gz ZYBAFHLGOGHNNX-GFCCVEGCSA-N 1 2 246.358 2.843 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(NCC(F)F)c1 ZINC001161816102 964769694 /nfs/dbraw/zinc/76/96/94/964769694.db2.gz XOHVVFYSBSKGHQ-UHFFFAOYSA-N 1 2 237.253 2.764 20 0 BFADLO c1ccc(NCc2nc3ccccc3o2)[nH+]c1 ZINC001161961475 964838840 /nfs/dbraw/zinc/83/88/40/964838840.db2.gz ODSQUEUDRVRQLB-UHFFFAOYSA-N 1 2 225.251 2.835 20 0 BFADLO Cc1cc(NC2CC(F)C2)cc(OC(F)F)[nH+]1 ZINC001162217256 964876975 /nfs/dbraw/zinc/87/69/75/964876975.db2.gz OHJTYNVPSNOFHU-UHFFFAOYSA-N 1 2 246.232 2.904 20 0 BFADLO CSc1cc(NCC(C)(F)F)nc(C)[nH+]1 ZINC001162228773 964882637 /nfs/dbraw/zinc/88/26/37/964882637.db2.gz WJPKVYZPJVRIKH-UHFFFAOYSA-N 1 2 233.287 2.574 20 0 BFADLO Cc1oncc1CNc1c[nH+]c(C)c(C)c1 ZINC001162273355 964899282 /nfs/dbraw/zinc/89/92/82/964899282.db2.gz ZOBZINWLMJWHMA-UHFFFAOYSA-N 1 2 217.272 2.607 20 0 BFADLO Cc1c(F)cc[nH+]c1N[C@@H]1C[C@@]12CCCOC2 ZINC001162376582 964950210 /nfs/dbraw/zinc/95/02/10/964950210.db2.gz PBVFTYBZNGOYFY-DGCLKSJQSA-N 1 2 236.290 2.510 20 0 BFADLO CC(C)(Nc1ccn2cc(N)[nH+]c2c1)C1CC1 ZINC001162518675 965020968 /nfs/dbraw/zinc/02/09/68/965020968.db2.gz YQNRAEVZPIOQNS-UHFFFAOYSA-N 1 2 230.315 2.517 20 0 BFADLO COc1cc(Nc2ccncc2Cl)cc(C)[nH+]1 ZINC001212151485 965093054 /nfs/dbraw/zinc/09/30/54/965093054.db2.gz ZVGQGHDNBSJZIW-UHFFFAOYSA-N 1 2 249.701 2.613 20 0 BFADLO Cc1cc(NC(=[NH2+])C(C)(C)C)nnc1C ZINC001162661710 965100009 /nfs/dbraw/zinc/10/00/09/965100009.db2.gz HKNDRZWNVAWSJN-UHFFFAOYSA-N 1 2 206.293 2.529 20 0 BFADLO CCCOCCNc1[nH+]cccc1OC(C)C ZINC000714973702 965573290 /nfs/dbraw/zinc/57/32/90/965573290.db2.gz AQBFLGWYHDHXJC-UHFFFAOYSA-N 1 2 238.331 2.707 20 0 BFADLO CCSc1cc[nH+]c(N2CC=CC2)c1 ZINC001163922069 965632058 /nfs/dbraw/zinc/63/20/58/965632058.db2.gz SYZZZKMMQFJHAY-UHFFFAOYSA-N 1 2 206.314 2.570 20 0 BFADLO Cc1cc[nH+]c(C)c1NCC(=O)C(C)(C)C ZINC001164005459 965691733 /nfs/dbraw/zinc/69/17/33/965691733.db2.gz PKJABAGACXOLBJ-UHFFFAOYSA-N 1 2 220.316 2.726 20 0 BFADLO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC1(F)F ZINC001168453712 965756546 /nfs/dbraw/zinc/75/65/46/965756546.db2.gz GTTHZHWQUZGXHL-LDYMZIIASA-N 1 2 229.245 2.754 20 0 BFADLO COc1cc(C)c[nH+]c1N(C)C1CC(C)C1 ZINC001164199738 965794106 /nfs/dbraw/zinc/79/41/06/965794106.db2.gz OXMUWOFHNAPLER-UHFFFAOYSA-N 1 2 220.316 2.633 20 0 BFADLO CCc1ccc(OC)c(OC2C[NH+](C(C)C)C2)c1 ZINC001234646075 965865631 /nfs/dbraw/zinc/86/56/31/965865631.db2.gz ZPOOJYNEHGOALD-UHFFFAOYSA-N 1 2 249.354 2.729 20 0 BFADLO COCC(C)(C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC001166003101 966234400 /nfs/dbraw/zinc/23/44/00/966234400.db2.gz VJYLGUOTEFUSRD-UHFFFAOYSA-N 1 2 249.358 2.519 20 0 BFADLO CNc1ccc(Nc2ccc(OC)c(O)c2)c[nH+]1 ZINC001203454661 966239399 /nfs/dbraw/zinc/23/93/99/966239399.db2.gz JDAOIBGHOAQKQX-UHFFFAOYSA-N 1 2 245.282 2.581 20 0 BFADLO Cc1cc(N2C[C@@H]3C[C@H]2C[C@H]3F)nc(C2CC2)[nH+]1 ZINC001166530962 966289792 /nfs/dbraw/zinc/28/97/92/966289792.db2.gz MHBHOPGQMKNSQW-SDDRHHMPSA-N 1 2 247.317 2.599 20 0 BFADLO c1[nH+]c(Cc2ccccc2)cn1CC1CC1 ZINC000919145312 966295119 /nfs/dbraw/zinc/29/51/19/966295119.db2.gz ZLFDERPBKNCJID-UHFFFAOYSA-N 1 2 212.296 2.884 20 0 BFADLO CC(C)(O)CCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919149717 966296783 /nfs/dbraw/zinc/29/67/83/966296783.db2.gz DCUPLFZFIDWBQG-UHFFFAOYSA-N 1 2 244.338 2.635 20 0 BFADLO C[C@@H]1CCCN(c2ccc(Cl)c(N)[nH+]2)[C@@H]1C ZINC001166614397 966332427 /nfs/dbraw/zinc/33/24/27/966332427.db2.gz LFNSHCFSAQSXHG-RKDXNWHRSA-N 1 2 239.750 2.942 20 0 BFADLO Cc1c(F)cc[nH+]c1N(C)CCc1ccncc1 ZINC001166626694 966340742 /nfs/dbraw/zinc/34/07/42/966340742.db2.gz VIDRXLZKBJZCOY-UHFFFAOYSA-N 1 2 245.301 2.603 20 0 BFADLO CCc1cn(CCC2SCCS2)c[nH+]1 ZINC001166823833 966426296 /nfs/dbraw/zinc/42/62/96/966426296.db2.gz YJMXOTPMHFSMDX-UHFFFAOYSA-N 1 2 228.386 2.642 20 0 BFADLO Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)o1 ZINC001236589889 966473406 /nfs/dbraw/zinc/47/34/06/966473406.db2.gz SJMTUODJLHVMBJ-VXGBXAGGSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1nc(C)c(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)o1 ZINC001236589889 966473411 /nfs/dbraw/zinc/47/34/11/966473411.db2.gz SJMTUODJLHVMBJ-VXGBXAGGSA-N 1 2 244.285 2.563 20 0 BFADLO CN(c1ccc(C(C)(C)C)c[nH+]1)C1(C)COC1 ZINC001166985475 966507152 /nfs/dbraw/zinc/50/71/52/966507152.db2.gz ZNMXIUCMEIDWJG-UHFFFAOYSA-N 1 2 234.343 2.604 20 0 BFADLO Cc1ccc(Nc2noc3cccnc32)c(C)[nH+]1 ZINC001203362622 966615687 /nfs/dbraw/zinc/61/56/87/966615687.db2.gz CNBHCPSALIOBJA-UHFFFAOYSA-N 1 2 240.266 2.978 20 0 BFADLO Cc1ccc(Nc2c3c(nn2C)CCC3)c(C)[nH+]1 ZINC001203366848 966617073 /nfs/dbraw/zinc/61/70/73/966617073.db2.gz FXMSYEWLUBWYLS-UHFFFAOYSA-N 1 2 242.326 2.664 20 0 BFADLO CNc1ccc(Nc2cc(C)nn2C(C)C)c[nH+]1 ZINC001203449078 966647849 /nfs/dbraw/zinc/64/78/49/966647849.db2.gz YSUOFOPHMQEEEH-UHFFFAOYSA-N 1 2 245.330 2.953 20 0 BFADLO CNc1ccc(Nc2cccc3[nH+]ccn32)cn1 ZINC001203446548 966650826 /nfs/dbraw/zinc/65/08/26/966650826.db2.gz CQYXJQSFMWVNTK-UHFFFAOYSA-N 1 2 239.282 2.515 20 0 BFADLO CNc1ccc(Nc2ccc(C)c(O)c2)c[nH+]1 ZINC001203456590 966652800 /nfs/dbraw/zinc/65/28/00/966652800.db2.gz LLZLLECMKSFAJV-UHFFFAOYSA-N 1 2 229.283 2.881 20 0 BFADLO CNc1ccc(N(C)c2cc(C)ccc2N)c[nH+]1 ZINC001203460389 966653016 /nfs/dbraw/zinc/65/30/16/966653016.db2.gz VNYCPVNSADTJJT-UHFFFAOYSA-N 1 2 242.326 2.782 20 0 BFADLO CNc1ccc(Nc2cccc(F)c2O)c[nH+]1 ZINC001203456336 966656687 /nfs/dbraw/zinc/65/66/87/966656687.db2.gz CMXRPNCCQYOYMU-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO CNc1ccc(Nc2cc(F)ccc2O)c[nH+]1 ZINC001203456737 966658505 /nfs/dbraw/zinc/65/85/05/966658505.db2.gz UDVWYEMRGQUOKG-UHFFFAOYSA-N 1 2 233.246 2.712 20 0 BFADLO Cc1coc(C[N@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC001237647663 966680690 /nfs/dbraw/zinc/68/06/90/966680690.db2.gz DXUGHLMYNWEHEC-LBPRGKRZSA-N 1 2 242.322 2.930 20 0 BFADLO Cc1coc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)n1 ZINC001237647663 966680697 /nfs/dbraw/zinc/68/06/97/966680697.db2.gz DXUGHLMYNWEHEC-LBPRGKRZSA-N 1 2 242.322 2.930 20 0 BFADLO CSc1cc(Nc2cc(C)c[nH+]c2C)n(C)n1 ZINC001203657689 966730886 /nfs/dbraw/zinc/73/08/86/966730886.db2.gz UDUZHKZYBQXTDG-UHFFFAOYSA-N 1 2 248.355 2.897 20 0 BFADLO Cc1ccc(C)c(C[N@@H+]2CCn3nccc3C2)c1 ZINC001203752125 966768633 /nfs/dbraw/zinc/76/86/33/966768633.db2.gz TYNQHMZOHDPUFJ-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1ccc(C)c(C[N@H+]2CCn3nccc3C2)c1 ZINC001203752125 966768645 /nfs/dbraw/zinc/76/86/45/966768645.db2.gz TYNQHMZOHDPUFJ-UHFFFAOYSA-N 1 2 241.338 2.516 20 0 BFADLO Cc1cc(F)cc(C[NH+]2CCC2)c1Cl ZINC001238776094 966783907 /nfs/dbraw/zinc/78/39/07/966783907.db2.gz GJKHIFYSCCADRA-UHFFFAOYSA-N 1 2 213.683 2.993 20 0 BFADLO c1c[nH]c(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001204010686 966847792 /nfs/dbraw/zinc/84/77/92/966847792.db2.gz UHZZXFYIMIIPOC-OAHLLOKOSA-N 1 2 242.322 2.588 20 0 BFADLO c1c[nH]c(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001204010686 966847793 /nfs/dbraw/zinc/84/77/93/966847793.db2.gz UHZZXFYIMIIPOC-OAHLLOKOSA-N 1 2 242.322 2.588 20 0 BFADLO Cc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)cc1 ZINC001204167940 966906688 /nfs/dbraw/zinc/90/66/88/966906688.db2.gz CAJCMFIYJQLUAP-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO Cc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)cc1 ZINC001204167940 966906697 /nfs/dbraw/zinc/90/66/97/966906697.db2.gz CAJCMFIYJQLUAP-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)o1 ZINC001204395449 966993884 /nfs/dbraw/zinc/99/38/84/966993884.db2.gz QEVBFNZWYXXYHB-CQSZACIVSA-N 1 2 235.327 2.786 20 0 BFADLO CCc1ccc(C[N@H+]2CCCC[C@@H]2C(C)=O)o1 ZINC001204395449 966993895 /nfs/dbraw/zinc/99/38/95/966993895.db2.gz QEVBFNZWYXXYHB-CQSZACIVSA-N 1 2 235.327 2.786 20 0 BFADLO Cc1c(F)cccc1C[N@@H+]1CCn2cccc2C1 ZINC001204512608 967019672 /nfs/dbraw/zinc/01/96/72/967019672.db2.gz KCSZTXGHXACURJ-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1c(F)cccc1C[N@H+]1CCn2cccc2C1 ZINC001204512608 967019680 /nfs/dbraw/zinc/01/96/80/967019680.db2.gz KCSZTXGHXACURJ-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO CCCc1cc[nH+]c(Nc2cnc(N)c(F)c2)c1 ZINC001249759541 967048237 /nfs/dbraw/zinc/04/82/37/967048237.db2.gz FBWWOVZKGQZALH-UHFFFAOYSA-N 1 2 246.289 2.894 20 0 BFADLO COc1cc(C[NH+]2CC(C(F)F)C2)ccc1F ZINC001204562359 967059833 /nfs/dbraw/zinc/05/98/33/967059833.db2.gz MOORPZNXYHAOJM-UHFFFAOYSA-N 1 2 245.244 2.531 20 0 BFADLO COc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1F ZINC001204557989 967060840 /nfs/dbraw/zinc/06/08/40/967060840.db2.gz DNCLBKHIDBWURC-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO COc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1F ZINC001204557989 967060850 /nfs/dbraw/zinc/06/08/50/967060850.db2.gz DNCLBKHIDBWURC-NSHDSACASA-N 1 2 241.281 2.768 20 0 BFADLO CCc1nc(OC)ccc1/C(C)=C/C=C/[NH3+] ZINC001239773045 967164273 /nfs/dbraw/zinc/16/42/73/967164273.db2.gz RPYSDLVSYWGLSL-NXZHAISVSA-N 1 2 218.300 2.528 20 0 BFADLO CCC(=O)Cc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001249922852 967164650 /nfs/dbraw/zinc/16/46/50/967164650.db2.gz KPAWWCSQBJGRLE-UHFFFAOYSA-N 1 2 214.268 2.598 20 0 BFADLO CCOC(=O)CCCc1c[nH+]c(C)cc1C ZINC001249975392 967218590 /nfs/dbraw/zinc/21/85/90/967218590.db2.gz WATQQAGLGWVYPO-UHFFFAOYSA-N 1 2 221.300 2.584 20 0 BFADLO Nc1ccc(N[C@H]2CCCc3cccnc32)c[nH+]1 ZINC001168661826 967251677 /nfs/dbraw/zinc/25/16/77/967251677.db2.gz RYZMRIFJCSLSCY-LBPRGKRZSA-N 1 2 240.310 2.548 20 0 BFADLO Cc1cc(Nc2ccn3cc[nH+]c3c2)cnc1F ZINC001204959498 967262730 /nfs/dbraw/zinc/26/27/30/967262730.db2.gz OLWGJWSHGLSHJU-UHFFFAOYSA-N 1 2 242.257 2.920 20 0 BFADLO CCc1cc(Nc2ccn3cc[nH+]c3c2)on1 ZINC001204966144 967265710 /nfs/dbraw/zinc/26/57/10/967265710.db2.gz NXUZTISOIQSBHG-UHFFFAOYSA-N 1 2 228.255 2.628 20 0 BFADLO Nc1ccc(F)c(Nc2ccn3cc[nH+]c3c2)c1 ZINC001204990581 967277626 /nfs/dbraw/zinc/27/76/26/967277626.db2.gz AUAFPVYIYXDQIU-UHFFFAOYSA-N 1 2 242.257 2.799 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(O)cc1C(F)(F)F ZINC001205086901 967334512 /nfs/dbraw/zinc/33/45/12/967334512.db2.gz BLFLDJLIUASJGI-UHFFFAOYSA-N 1 2 242.200 2.812 20 0 BFADLO c1cc2cc(-c3ccc4[nH+]ccn4c3)cnc2[nH]1 ZINC001240219653 967430107 /nfs/dbraw/zinc/43/01/07/967430107.db2.gz QUVOEWNYTDGDSQ-UHFFFAOYSA-N 1 2 234.262 2.829 20 0 BFADLO Cc1[nH]c2ccc(Cc3cccnc3)cc2[nH+]1 ZINC001250171067 967473585 /nfs/dbraw/zinc/47/35/85/967473585.db2.gz OIXIWRPQODBUHO-UHFFFAOYSA-N 1 2 223.279 2.857 20 0 BFADLO COC(=[NH2+])c1cccc(-c2csc(CO)c2)c1 ZINC001205311597 967510054 /nfs/dbraw/zinc/51/00/54/967510054.db2.gz WWZPZPWNZKPBAA-UHFFFAOYSA-N 1 2 247.319 2.879 20 0 BFADLO Cc1cc(-c2ccc3cnn(C)c3c2)c[nH+]c1N ZINC001240308187 967529295 /nfs/dbraw/zinc/52/92/95/967529295.db2.gz IOHZNJWSILAMSI-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1ccc(-c2ccc(F)c3n[nH]cc32)[nH+]c1N ZINC001205325212 967541040 /nfs/dbraw/zinc/54/10/40/967541040.db2.gz LPORZMNJZPNSGA-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO CCN(Cc1sccc1Cl)C1C[NH+](C)C1 ZINC001205354052 967572782 /nfs/dbraw/zinc/57/27/82/967572782.db2.gz PZQNABNNVZDOIA-UHFFFAOYSA-N 1 2 244.791 2.537 20 0 BFADLO COCc1cc[nH+]c(N[C@H]2CC=CCC2)c1 ZINC001161751522 967628310 /nfs/dbraw/zinc/62/83/10/967628310.db2.gz FILBPSLYUXSFRD-LBPRGKRZSA-N 1 2 218.300 2.749 20 0 BFADLO Fc1ccc(NCC(F)F)cc1-n1cc[nH+]c1 ZINC001161817215 967659123 /nfs/dbraw/zinc/65/91/23/967659123.db2.gz GWHUNAMBCZSXIT-UHFFFAOYSA-N 1 2 241.216 2.688 20 0 BFADLO Cc1ccc(F)c(CCn2cc[nH+]c2)c1 ZINC001250315826 967678365 /nfs/dbraw/zinc/67/83/65/967678365.db2.gz RZFTZOCGRDEYQG-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO Cc1ccc(CCn2cc[nH+]c2)cc1F ZINC001250315314 967679004 /nfs/dbraw/zinc/67/90/04/967679004.db2.gz IWCMBRXTZSXROT-UHFFFAOYSA-N 1 2 204.248 2.573 20 0 BFADLO Fc1cc(CCn2cc[nH+]c2)ccc1Cl ZINC001250316134 967679629 /nfs/dbraw/zinc/67/96/29/967679629.db2.gz BPVFNZCIOFUBSJ-UHFFFAOYSA-N 1 2 224.666 2.918 20 0 BFADLO COc1ccc(CCn2cc[nH+]c2)cc1Cl ZINC001250315872 967680953 /nfs/dbraw/zinc/68/09/53/967680953.db2.gz VKJINOIDUVPEGJ-UHFFFAOYSA-N 1 2 236.702 2.788 20 0 BFADLO c1cn(CCc2cccc(OCC3CC3)c2)c[nH+]1 ZINC001250316628 967683786 /nfs/dbraw/zinc/68/37/86/967683786.db2.gz PWPMEYMCPUMDBC-UHFFFAOYSA-N 1 2 242.322 2.915 20 0 BFADLO c1cn(CCc2ccc3ccncc3c2)c[nH+]1 ZINC001250316748 967686909 /nfs/dbraw/zinc/68/69/09/967686909.db2.gz VTZGWOMINXFYRV-UHFFFAOYSA-N 1 2 223.279 2.674 20 0 BFADLO Fc1cc2[nH]ccc2c(CCn2cc[nH+]c2)c1 ZINC001250316685 967688117 /nfs/dbraw/zinc/68/81/17/967688117.db2.gz SMFWOLXSQKAAFY-UHFFFAOYSA-N 1 2 229.258 2.746 20 0 BFADLO Nc1cc(F)cc(CCn2cc[nH+]c2)c1Cl ZINC001250319469 967692773 /nfs/dbraw/zinc/69/27/73/967692773.db2.gz DXWQYNHNUJZCHQ-UHFFFAOYSA-N 1 2 239.681 2.501 20 0 BFADLO CCN(C)c1cc(NC(C2CC2)C2CC2)[nH+]cn1 ZINC001168742933 967715293 /nfs/dbraw/zinc/71/52/93/967715293.db2.gz STYJHQSVMYKIGI-UHFFFAOYSA-N 1 2 246.358 2.533 20 0 BFADLO CCN(C)c1cc(NC(C2CC2)C2CC2)nc[nH+]1 ZINC001168742933 967715303 /nfs/dbraw/zinc/71/53/03/967715303.db2.gz STYJHQSVMYKIGI-UHFFFAOYSA-N 1 2 246.358 2.533 20 0 BFADLO CC(C)(C)OC(=O)CCc1ccn2cc[nH+]c2c1 ZINC001250329497 967717003 /nfs/dbraw/zinc/71/70/03/967717003.db2.gz PBXCEIUOHXNDKG-UHFFFAOYSA-N 1 2 246.310 2.609 20 0 BFADLO COc1cc[nH+]cc1NC(C1CC1)C1CC1 ZINC001168743310 967720683 /nfs/dbraw/zinc/72/06/83/967720683.db2.gz BBZVWTBFTKLBCT-UHFFFAOYSA-N 1 2 218.300 2.691 20 0 BFADLO CCOc1cccnc1Nc1ccc(NC)[nH+]c1 ZINC001203448723 967725169 /nfs/dbraw/zinc/72/51/69/967725169.db2.gz HAROPPRTJDHLFZ-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO COc1cc2[nH+]c(CC(C)C)[nH]c2cc1F ZINC001250425560 967840733 /nfs/dbraw/zinc/84/07/33/967840733.db2.gz JLATUMQNFOWMKI-UHFFFAOYSA-N 1 2 222.263 2.909 20 0 BFADLO COc1cc2[nH]c(CC(C)C)[nH+]c2cc1F ZINC001250425560 967840741 /nfs/dbraw/zinc/84/07/41/967840741.db2.gz JLATUMQNFOWMKI-UHFFFAOYSA-N 1 2 222.263 2.909 20 0 BFADLO Cc1cc2[nH]c(CC3CCOCC3)[nH+]c2cc1F ZINC001250431350 967848859 /nfs/dbraw/zinc/84/88/59/967848859.db2.gz JWMFZKDVSHKWBG-UHFFFAOYSA-N 1 2 248.301 2.980 20 0 BFADLO Cc1[nH+]cc(Cc2ccc(N(C)C)cc2)cc1N ZINC001250434093 967853343 /nfs/dbraw/zinc/85/33/43/967853343.db2.gz GCFQZVDHRXNRFU-UHFFFAOYSA-N 1 2 241.338 2.629 20 0 BFADLO CCc1cc(N2C[C@H](C)C[C@H]2C)nc(CC)[nH+]1 ZINC001162596709 967870850 /nfs/dbraw/zinc/87/08/50/967870850.db2.gz ACRSYLBPRTZNPB-GHMZBOCLSA-N 1 2 233.359 2.836 20 0 BFADLO CC(C)(C)C(=[NH2+])Nc1cc(C(F)(F)F)ncn1 ZINC001162661649 967884215 /nfs/dbraw/zinc/88/42/15/967884215.db2.gz YPHUEBLQYNZQQY-UHFFFAOYSA-N 1 2 246.236 2.931 20 0 BFADLO c1cn2ccc(-c3ccnc4ccncc43)cc2[nH+]1 ZINC001250504943 968002393 /nfs/dbraw/zinc/00/23/93/968002393.db2.gz YUUPOJWNPYLBMC-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO Cc1nc(C[N@@H+]2CCc3c(C)cccc3C2)co1 ZINC001206040930 968002556 /nfs/dbraw/zinc/00/25/56/968002556.db2.gz LIDYSGHAVJKGED-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO Cc1nc(C[N@H+]2CCc3c(C)cccc3C2)co1 ZINC001206040930 968002569 /nfs/dbraw/zinc/00/25/69/968002569.db2.gz LIDYSGHAVJKGED-UHFFFAOYSA-N 1 2 242.322 2.850 20 0 BFADLO COc1cc2[nH+]c([C@@H]3C[C@H]3C)[nH]c2cc1F ZINC001250615196 968163583 /nfs/dbraw/zinc/16/35/83/968163583.db2.gz NEIKXYKZKBPCPK-RNFRBKRXSA-N 1 2 220.247 2.834 20 0 BFADLO COc1cc2[nH+]c([C@H]3C[C@@H]3C)[nH]c2cc1F ZINC001250615191 968163807 /nfs/dbraw/zinc/16/38/07/968163807.db2.gz NEIKXYKZKBPCPK-BQBZGAKWSA-N 1 2 220.247 2.834 20 0 BFADLO CC(C)[N@H+](Cc1nnc[nH]1)[C@H](C)c1ccccc1 ZINC001118496636 968167889 /nfs/dbraw/zinc/16/78/89/968167889.db2.gz CUOUTAPICJVPLC-GFCCVEGCSA-N 1 2 244.342 2.776 20 0 BFADLO CC(C)[N@@H+](Cc1nnc[nH]1)[C@H](C)c1ccccc1 ZINC001118496636 968167905 /nfs/dbraw/zinc/16/79/05/968167905.db2.gz CUOUTAPICJVPLC-GFCCVEGCSA-N 1 2 244.342 2.776 20 0 BFADLO Cc1c[nH+]c(N(C)C2CC(C)C2)nc1NC1CC1 ZINC001164193977 968187885 /nfs/dbraw/zinc/18/78/85/968187885.db2.gz PSHZOQCPKIYMNJ-UHFFFAOYSA-N 1 2 246.358 2.594 20 0 BFADLO COc1ccc(C)[nH+]c1N(C)C1CC(C)C1 ZINC001164195292 968189816 /nfs/dbraw/zinc/18/98/16/968189816.db2.gz OEOOPXZRBIVKSK-UHFFFAOYSA-N 1 2 220.316 2.633 20 0 BFADLO Cn1ccc(C[N@H+](C)C/C=C/c2ccccc2)n1 ZINC001206303881 968210233 /nfs/dbraw/zinc/21/02/33/968210233.db2.gz VSMANJHMYKQMLA-RMKNXTFCSA-N 1 2 241.338 2.565 20 0 BFADLO Cn1ccc(C[N@@H+](C)C/C=C/c2ccccc2)n1 ZINC001206303881 968210239 /nfs/dbraw/zinc/21/02/39/968210239.db2.gz VSMANJHMYKQMLA-RMKNXTFCSA-N 1 2 241.338 2.565 20 0 BFADLO Cc1ccc(-c2nc3ccccc3n2C)c(N)[nH+]1 ZINC001250982184 968237381 /nfs/dbraw/zinc/23/73/81/968237381.db2.gz QRVPDBNTRCXWEL-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1nc2c(cccc2F)[nH]1 ZINC001251088935 968261077 /nfs/dbraw/zinc/26/10/77/968261077.db2.gz HSRDVGGSZCXHGF-UHFFFAOYSA-N 1 2 242.257 2.655 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1nc2ccccc2n1C ZINC001251091368 968261290 /nfs/dbraw/zinc/26/12/90/968261290.db2.gz FGQCODRLKHHGIB-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cn1c2ccccc2nc1-c1cccc2[nH+]ccn21 ZINC001251326580 968282903 /nfs/dbraw/zinc/28/29/03/968282903.db2.gz MKISUOHKJCRWTQ-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cc1ccc(N[C@H](C)c2cc[nH]c(=O)c2)c(C)[nH+]1 ZINC001119632618 968445228 /nfs/dbraw/zinc/44/52/28/968445228.db2.gz WREHBVFVWYNIHL-SNVBAGLBSA-N 1 2 243.310 2.972 20 0 BFADLO CCOc1cncc(Nc2ccc(NC)[nH+]c2)c1 ZINC001203449115 968455356 /nfs/dbraw/zinc/45/53/56/968455356.db2.gz AMKPLXYFDVMHFS-UHFFFAOYSA-N 1 2 244.298 2.661 20 0 BFADLO COc1ccc(-c2cc(C[NH+]3CCC3)no2)cc1 ZINC001206822740 968492246 /nfs/dbraw/zinc/49/22/46/968492246.db2.gz CQRIGGMOBRLUOF-UHFFFAOYSA-N 1 2 244.294 2.556 20 0 BFADLO C[C@@]1(CF)CC[N@H+](Cc2c(F)cncc2F)C1 ZINC001206856354 968502611 /nfs/dbraw/zinc/50/26/11/968502611.db2.gz SNHNERBEXSYHDN-LBPRGKRZSA-N 1 2 244.260 2.541 20 0 BFADLO C[C@@]1(CF)CC[N@@H+](Cc2c(F)cncc2F)C1 ZINC001206856354 968502614 /nfs/dbraw/zinc/50/26/14/968502614.db2.gz SNHNERBEXSYHDN-LBPRGKRZSA-N 1 2 244.260 2.541 20 0 BFADLO CO[C@H](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001120049605 968518230 /nfs/dbraw/zinc/51/82/30/968518230.db2.gz AAPQVRVQEVXYMX-LLVKDONJSA-N 1 2 249.358 2.889 20 0 BFADLO CO[C@@H](C)CCNc1cc(C)[nH+]c(C2CCC2)n1 ZINC001120049606 968518884 /nfs/dbraw/zinc/51/88/84/968518884.db2.gz AAPQVRVQEVXYMX-NSHDSACASA-N 1 2 249.358 2.889 20 0 BFADLO Fc1cccnc1C[N@H+]1CCCC[C@H](F)C1 ZINC001207026483 968560193 /nfs/dbraw/zinc/56/01/93/968560193.db2.gz KVJIJVFEQHSFNU-JTQLQIEISA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cccnc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001207026483 968560202 /nfs/dbraw/zinc/56/02/02/968560202.db2.gz KVJIJVFEQHSFNU-JTQLQIEISA-N 1 2 226.270 2.545 20 0 BFADLO Cc1cnc(C[N@@H+]2Cc3cccc(C)c3C2)cn1 ZINC001207072491 968602006 /nfs/dbraw/zinc/60/20/06/968602006.db2.gz IABKHTIQHPYFIX-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO Cc1cnc(C[N@H+]2Cc3cccc(C)c3C2)cn1 ZINC001207072491 968602010 /nfs/dbraw/zinc/60/20/10/968602010.db2.gz IABKHTIQHPYFIX-UHFFFAOYSA-N 1 2 239.322 2.609 20 0 BFADLO CCn1cc(-c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC001240649003 968618599 /nfs/dbraw/zinc/61/85/99/968618599.db2.gz PZRLFCNBPYDSNU-UHFFFAOYSA-N 1 2 238.294 2.756 20 0 BFADLO CCn1cc(-c2cc(C)cn3cc[nH+]c23)cn1 ZINC001240650126 968623292 /nfs/dbraw/zinc/62/32/92/968623292.db2.gz UFJCWEZDDJDYFZ-UHFFFAOYSA-N 1 2 226.283 2.526 20 0 BFADLO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001207133470 968647711 /nfs/dbraw/zinc/64/77/11/968647711.db2.gz OFIRXMPBHFJPPZ-VXGBXAGGSA-N 1 2 244.285 2.563 20 0 BFADLO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001207133470 968647715 /nfs/dbraw/zinc/64/77/15/968647715.db2.gz OFIRXMPBHFJPPZ-VXGBXAGGSA-N 1 2 244.285 2.563 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(OC(C)C)nc1 ZINC001240810807 968700733 /nfs/dbraw/zinc/70/07/33/968700733.db2.gz KWGRFKQCRZPZGO-JNKBEKGTSA-N 1 2 218.300 2.745 20 0 BFADLO C=Cc1cc(F)cc(C)c1C[NH+]1CCOCC1 ZINC001240833946 968740869 /nfs/dbraw/zinc/74/08/69/968740869.db2.gz VYXMSKMYLJPSOS-UHFFFAOYSA-N 1 2 235.302 2.609 20 0 BFADLO COc1ccc(-c2nc3[nH]ccc3c[nH+]2)cc1C ZINC001240862619 968782584 /nfs/dbraw/zinc/78/25/84/968782584.db2.gz XPZNWKAOWOWNAT-UHFFFAOYSA-N 1 2 239.278 2.894 20 0 BFADLO CC[C@@H]1COC[C@H]1Nc1ccc([NH+](C)C)cc1C ZINC000829421395 968836072 /nfs/dbraw/zinc/83/60/72/968836072.db2.gz URZJIBVSERRHKW-IUODEOHRSA-N 1 2 248.370 2.898 20 0 BFADLO CC(=O)Nc1c(C)cc[nH+]c1N1CCC[C@@H](C)C1 ZINC001155208540 968927405 /nfs/dbraw/zinc/92/74/05/968927405.db2.gz TUTLTYCWBDAIOX-SNVBAGLBSA-N 1 2 247.342 2.585 20 0 BFADLO Nc1cc(-c2ccccc2OC2CC2)cc[nH+]1 ZINC001241169464 968943007 /nfs/dbraw/zinc/94/30/07/968943007.db2.gz AGGYSTKCLYMKLV-UHFFFAOYSA-N 1 2 226.279 2.872 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nncc2ccccc21 ZINC001242071081 969196775 /nfs/dbraw/zinc/19/67/75/969196775.db2.gz SRCQRBRCSKSHGA-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc(C(C)C)n1 ZINC001242072208 969196798 /nfs/dbraw/zinc/19/67/98/969196798.db2.gz FRYNTIBZULEFFR-UHFFFAOYSA-N 1 2 228.299 2.553 20 0 BFADLO CCCCC[C@H](O)CNc1cccc2[nH+]ccn21 ZINC001253523329 969199579 /nfs/dbraw/zinc/19/95/79/969199579.db2.gz XDOGZLUYLUFOSU-LBPRGKRZSA-N 1 2 247.342 2.687 20 0 BFADLO CCc1cncc(Nc2ccc(N(C)C)[nH+]c2)c1 ZINC001209166200 969369768 /nfs/dbraw/zinc/36/97/68/969369768.db2.gz WEFNHSNJEPMSGA-UHFFFAOYSA-N 1 2 242.326 2.849 20 0 BFADLO F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnc(Cl)s1 ZINC001209473483 969521817 /nfs/dbraw/zinc/52/18/17/969521817.db2.gz MWWHZKHQRJWLFO-ZKWXMUAHSA-N 1 2 246.738 2.729 20 0 BFADLO F[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnc(Cl)s1 ZINC001209473483 969521823 /nfs/dbraw/zinc/52/18/23/969521823.db2.gz MWWHZKHQRJWLFO-ZKWXMUAHSA-N 1 2 246.738 2.729 20 0 BFADLO Cc1ccc2[nH]cc(C[NH+]3CCC(=O)CC3)c2c1 ZINC001209490717 969525772 /nfs/dbraw/zinc/52/57/72/969525772.db2.gz FAGIBISNCNZJSJ-UHFFFAOYSA-N 1 2 242.322 2.641 20 0 BFADLO Cc1[nH]ncc1C[N@H+](C)CCc1cccc(C)c1 ZINC001209555886 969542528 /nfs/dbraw/zinc/54/25/28/969542528.db2.gz NQKIPRDRHCXALY-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO Cc1[nH]ncc1C[N@@H+](C)CCc1cccc(C)c1 ZINC001209555886 969542534 /nfs/dbraw/zinc/54/25/34/969542534.db2.gz NQKIPRDRHCXALY-UHFFFAOYSA-N 1 2 243.354 2.701 20 0 BFADLO FC1(F)CC2(C1)CC[NH+](Cc1ccon1)CC2 ZINC001209559119 969543279 /nfs/dbraw/zinc/54/32/79/969543279.db2.gz BTCMKQFBWPJNMI-UHFFFAOYSA-N 1 2 242.269 2.686 20 0 BFADLO Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)on1 ZINC001209841050 969650171 /nfs/dbraw/zinc/65/01/71/969650171.db2.gz BYDYCBQCSQFDLR-UHFFFAOYSA-N 1 2 214.228 2.603 20 0 BFADLO Cc1cnc(Nc2ccc3[nH]c[nH+]c3c2)nc1C ZINC001209841592 969654236 /nfs/dbraw/zinc/65/42/36/969654236.db2.gz WZDJMANQOXKGMR-UHFFFAOYSA-N 1 2 239.282 2.713 20 0 BFADLO COc1cccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209842840 969655220 /nfs/dbraw/zinc/65/52/20/969655220.db2.gz QQVPFXADVDRRBR-UHFFFAOYSA-N 1 2 240.266 2.710 20 0 BFADLO Cc1coc(Nc2ccc3[nH]c[nH+]c3c2)n1 ZINC001209842460 969656053 /nfs/dbraw/zinc/65/60/53/969656053.db2.gz KMTIDPVSQRYWOA-UHFFFAOYSA-N 1 2 214.228 2.603 20 0 BFADLO Clc1cnc(Nc2ccc3[nH]c[nH+]c3c2)cn1 ZINC001209843282 969656297 /nfs/dbraw/zinc/65/62/97/969656297.db2.gz VRQKAYWMWXALSH-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Clc1ccc(Nc2ccc3[nH]c[nH+]c3c2)nn1 ZINC001209841487 969656747 /nfs/dbraw/zinc/65/67/47/969656747.db2.gz REAQTANNPKZIBT-UHFFFAOYSA-N 1 2 245.673 2.750 20 0 BFADLO Cc1cccc(Nc2ccc3[nH]nc(N)c3c2)[nH+]1 ZINC001209853217 969664407 /nfs/dbraw/zinc/66/44/07/969664407.db2.gz JUWXDSYJBIKILI-UHFFFAOYSA-N 1 2 239.282 2.592 20 0 BFADLO c1cc(Nc2ccc3c[nH+]ccc3c2)on1 ZINC001210045820 969777904 /nfs/dbraw/zinc/77/79/04/969777904.db2.gz QOMRLANNJHYGSW-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO c1cnnc(Nc2cccc3cc[nH+]cc32)c1 ZINC001210222471 969836614 /nfs/dbraw/zinc/83/66/14/969836614.db2.gz JHVNLZLFLHJNTQ-UHFFFAOYSA-N 1 2 222.251 2.768 20 0 BFADLO c1coc(Nc2cccc3cc[nH+]cc32)n1 ZINC001210222643 969838076 /nfs/dbraw/zinc/83/80/76/969838076.db2.gz RIZAQQRWHFVSAL-UHFFFAOYSA-N 1 2 211.224 2.966 20 0 BFADLO CCOc1ncccc1Nc1c[nH+]c(C)c(N)c1 ZINC001210286876 969853875 /nfs/dbraw/zinc/85/38/75/969853875.db2.gz FEVYYEGPQCDLBZ-UHFFFAOYSA-N 1 2 244.298 2.510 20 0 BFADLO CC(=O)c1cccc(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288250 969855744 /nfs/dbraw/zinc/85/57/44/969855744.db2.gz OIMXVJKVBYRIMI-UHFFFAOYSA-N 1 2 241.294 2.918 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3ncoc3c2)cc1N ZINC001210288300 969857156 /nfs/dbraw/zinc/85/71/56/969857156.db2.gz LIPKHECWDGPQTB-UHFFFAOYSA-N 1 2 240.266 2.857 20 0 BFADLO CCc1ccc(O)c(Nc2c[nH+]c(C)c(N)c2)c1 ZINC001210288156 969857381 /nfs/dbraw/zinc/85/73/81/969857381.db2.gz LZCUFEAFVARZAU-UHFFFAOYSA-N 1 2 243.310 2.984 20 0 BFADLO Cc1ccc(N)c(Nc2c[nH+]c(C)c(N)c2)c1C ZINC001210287985 969857576 /nfs/dbraw/zinc/85/75/76/969857576.db2.gz KRQRNWINONOYPE-UHFFFAOYSA-N 1 2 242.326 2.915 20 0 BFADLO Cc1[nH+]cc(Nc2ccc3c(c2)CCO3)cc1N ZINC001210290831 969858987 /nfs/dbraw/zinc/85/89/87/969858987.db2.gz QAMFBPNZGBOFPQ-UHFFFAOYSA-N 1 2 241.294 2.651 20 0 BFADLO COc1ncc(Nc2cccc(C)[nH+]2)cc1C ZINC001210314275 969861150 /nfs/dbraw/zinc/86/11/50/969861150.db2.gz WGVXCIBORYFQGN-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc(Nc2cnn(C(C)C)c2)cc(C)[nH+]1 ZINC001210320206 969866874 /nfs/dbraw/zinc/86/68/74/969866874.db2.gz JBQQUHPVBGIASF-UHFFFAOYSA-N 1 2 246.314 2.920 20 0 BFADLO Cc1cc[nH+]cc1NCCc1cncs1 ZINC001169866946 969877703 /nfs/dbraw/zinc/87/77/03/969877703.db2.gz UWVWWYXMMGYOKK-UHFFFAOYSA-N 1 2 219.313 2.501 20 0 BFADLO C[C@H]1CN(c2ccc(Cl)c(N)[nH+]2)C2(CC2)C1 ZINC001156423726 969893749 /nfs/dbraw/zinc/89/37/49/969893749.db2.gz ANYUCKLWTNVBJC-MRVPVSSYSA-N 1 2 237.734 2.696 20 0 BFADLO Cc1ccc(C)c(Nc2cncc(N(C)C)c2)[nH+]1 ZINC001210472175 969900988 /nfs/dbraw/zinc/90/09/88/969900988.db2.gz KNEMRVFZWIWTOC-UHFFFAOYSA-N 1 2 242.326 2.903 20 0 BFADLO COc1cc[nH+]cc1Nc1ccnn1C(C)C ZINC001210517395 969910757 /nfs/dbraw/zinc/91/07/57/969910757.db2.gz WXQSKLGQGGDOME-UHFFFAOYSA-N 1 2 232.287 2.611 20 0 BFADLO Cc1cc(-c2cnc(C)c(N)c2)cn2cc[nH+]c12 ZINC001242411354 969922966 /nfs/dbraw/zinc/92/29/66/969922966.db2.gz BUZYEYJRSRWFHC-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO O=C1CC(Nc2cc(-c3ccccc3)cc[nH+]2)C1 ZINC001156610952 969937597 /nfs/dbraw/zinc/93/75/97/969937597.db2.gz ISAJJSRDDSPJAM-UHFFFAOYSA-N 1 2 238.290 2.892 20 0 BFADLO Cc1oncc1Nc1ccccc1-n1cc[nH+]c1 ZINC001210579052 969954009 /nfs/dbraw/zinc/95/40/09/969954009.db2.gz LXSBYQILBSJPKE-UHFFFAOYSA-N 1 2 240.266 2.912 20 0 BFADLO COc1cc(Nc2cccnc2F)cc(C)[nH+]1 ZINC001210775681 970027299 /nfs/dbraw/zinc/02/72/99/970027299.db2.gz IVHQUNCTUHHHHK-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO F[C@H]1CCC[N@@H+]([C@@H]2CCSC2)CC1(F)F ZINC001255281802 970035820 /nfs/dbraw/zinc/03/58/20/970035820.db2.gz DZHNBPKLBYWAKQ-BDAKNGLRSA-N 1 2 239.306 2.561 20 0 BFADLO F[C@H]1CCC[N@H+]([C@@H]2CCSC2)CC1(F)F ZINC001255281802 970035828 /nfs/dbraw/zinc/03/58/28/970035828.db2.gz DZHNBPKLBYWAKQ-BDAKNGLRSA-N 1 2 239.306 2.561 20 0 BFADLO CC=C(C)Nc1cccc2[nH+]c(C)cn21 ZINC001210792525 970030231 /nfs/dbraw/zinc/03/02/31/970030231.db2.gz NKRIDLUOFJVSQM-RUDMXATFSA-N 1 2 201.273 2.978 20 0 BFADLO Cc1[nH+]cc(Nc2cccc(S)c2)n1C ZINC001210946648 970086830 /nfs/dbraw/zinc/08/68/30/970086830.db2.gz SSZSEKHSYYVLDI-UHFFFAOYSA-N 1 2 219.313 2.761 20 0 BFADLO Cc1ccc(Nc2cccn3cc[nH+]c23)nc1 ZINC001211006256 970108850 /nfs/dbraw/zinc/10/88/50/970108850.db2.gz IXALHDJVMAGOIW-UHFFFAOYSA-N 1 2 224.267 2.781 20 0 BFADLO CCOC(=O)/C=C/c1ccc[nH+]c1N[C@@H](C)CC ZINC001157230429 970158112 /nfs/dbraw/zinc/15/81/12/970158112.db2.gz NJEOZWZHBKGTSH-FBOQAHMBSA-N 1 2 248.326 2.868 20 0 BFADLO CCCOC(=O)C[NH2+][C@H](C)CCCC(C)C ZINC001170072875 970163233 /nfs/dbraw/zinc/16/32/33/970163233.db2.gz DMIZTZDUYVLIRG-GFCCVEGCSA-N 1 2 229.364 2.744 20 0 BFADLO CCCOC(=O)C[NH2+][C@@H](C)CCCC(C)C ZINC001170072876 970164104 /nfs/dbraw/zinc/16/41/04/970164104.db2.gz DMIZTZDUYVLIRG-LBPRGKRZSA-N 1 2 229.364 2.744 20 0 BFADLO CC(C)CCC[C@H](C)[N@@H+]1CC(F)(F)C[C@H]1CO ZINC001170074568 970168388 /nfs/dbraw/zinc/16/83/88/970168388.db2.gz UXUGBVGJZSOYFY-RYUDHWBXSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CCC[C@H](C)[N@H+]1CC(F)(F)C[C@H]1CO ZINC001170074568 970168394 /nfs/dbraw/zinc/16/83/94/970168394.db2.gz UXUGBVGJZSOYFY-RYUDHWBXSA-N 1 2 249.345 2.903 20 0 BFADLO CC(C)CCC[C@@H](C)[N@@H+]1CCCC(=O)C1 ZINC001170080893 970191656 /nfs/dbraw/zinc/19/16/56/970191656.db2.gz APIRFQSBMVGWRM-GFCCVEGCSA-N 1 2 211.349 2.866 20 0 BFADLO CC(C)CCC[C@@H](C)[N@H+]1CCCC(=O)C1 ZINC001170080893 970191661 /nfs/dbraw/zinc/19/16/61/970191661.db2.gz APIRFQSBMVGWRM-GFCCVEGCSA-N 1 2 211.349 2.866 20 0 BFADLO Cc1cc(F)c(F)cc1-c1c[nH+]cn1C ZINC001243067776 970253744 /nfs/dbraw/zinc/25/37/44/970253744.db2.gz PUCIUHQYYBNQCK-UHFFFAOYSA-N 1 2 208.211 2.674 20 0 BFADLO Cc1c[nH]c2cc(-c3c[nH+]cn3C)ccc12 ZINC001243067677 970256771 /nfs/dbraw/zinc/25/67/71/970256771.db2.gz NGMXNGCIGRGPBI-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO CCc1nc2cc(-c3c[nH+]cn3C)ccc2o1 ZINC001243069570 970260022 /nfs/dbraw/zinc/26/00/22/970260022.db2.gz UFSQAMFIBNWUOT-UHFFFAOYSA-N 1 2 227.267 2.791 20 0 BFADLO Cc1noc2cc(-c3c[nH+]cn3C)ccc12 ZINC001243069740 970263161 /nfs/dbraw/zinc/26/31/61/970263161.db2.gz AATXIDROHRZHTO-UHFFFAOYSA-N 1 2 213.240 2.537 20 0 BFADLO Cc1cc(-c2c[nH+]cn2C)cnc1OC(C)C ZINC001243070647 970271097 /nfs/dbraw/zinc/27/10/97/970271097.db2.gz IWYLUKUNDUVWPN-UHFFFAOYSA-N 1 2 231.299 2.578 20 0 BFADLO COc1cc(O)ccc1Nc1cccc(C)[nH+]1 ZINC001213091669 970271328 /nfs/dbraw/zinc/27/13/28/970271328.db2.gz DXJMJGJLCMJSHI-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO Cc1ccc(O)c(Nc2ccc3c(c2)NCC3)[nH+]1 ZINC001213146390 970286954 /nfs/dbraw/zinc/28/69/54/970286954.db2.gz YTRWXBVPUQUAQK-UHFFFAOYSA-N 1 2 241.294 2.807 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Nc1cnn(C)c1 ZINC001213488809 970328792 /nfs/dbraw/zinc/32/87/92/970328792.db2.gz DRXLTGFGFUWVMH-UHFFFAOYSA-N 1 2 228.299 2.745 20 0 BFADLO COC(=O)c1occc1Nc1c[nH+]c(C)cc1C ZINC001213505782 970329929 /nfs/dbraw/zinc/32/99/29/970329929.db2.gz PIUBMOOQOUJBJQ-UHFFFAOYSA-N 1 2 246.266 2.822 20 0 BFADLO Cc1cc(C)c(Nc2ncc(F)cc2N)c[nH+]1 ZINC001213508324 970331428 /nfs/dbraw/zinc/33/14/28/970331428.db2.gz QBZBEHVTUATXNJ-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1cc(C)c(Nc2cnc(Cl)nc2)c[nH+]1 ZINC001213505359 970335279 /nfs/dbraw/zinc/33/52/79/970335279.db2.gz CNNMGMZHQBOCEZ-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]cc(-n2cc(N)c3cccnc32)c1C ZINC001213522661 970337394 /nfs/dbraw/zinc/33/73/94/970337394.db2.gz FHJAVVGAJPBHSM-UHFFFAOYSA-N 1 2 238.294 2.620 20 0 BFADLO CCc1cnc(Nc2c[nH+]cc(C)c2C)cn1 ZINC001213524712 970337526 /nfs/dbraw/zinc/33/75/26/970337526.db2.gz FJDPRJAUGYROML-UHFFFAOYSA-N 1 2 228.299 2.794 20 0 BFADLO Cc1c[nH+]cc(Nc2ncc(F)cc2N)c1C ZINC001213525482 970337788 /nfs/dbraw/zinc/33/77/88/970337788.db2.gz ZBZWTVVRARGGDH-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]cc(Nc2cncnc2Cl)c1C ZINC001213522827 970340039 /nfs/dbraw/zinc/34/00/39/970340039.db2.gz HFFZACLETIZHOH-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO COc1nc(C)cnc1Nc1c[nH+]cc(C)c1C ZINC001213527192 970346746 /nfs/dbraw/zinc/34/67/46/970346746.db2.gz CCPDICVZSPYZFW-UHFFFAOYSA-N 1 2 244.298 2.549 20 0 BFADLO Cc1c[nH+]cc(Nc2ccccc2CO)c1C ZINC001213528929 970353768 /nfs/dbraw/zinc/35/37/68/970353768.db2.gz SBGVFAFIORWUQO-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1c[nH+]cc(Nc2cccc(C(N)=O)c2)c1C ZINC001213528863 970354986 /nfs/dbraw/zinc/35/49/86/970354986.db2.gz OURYOYVKTWIMTG-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1ccc(O)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001214337111 970488124 /nfs/dbraw/zinc/48/81/24/970488124.db2.gz RVSZAAIRSKYLLJ-UHFFFAOYSA-N 1 2 243.310 2.905 20 0 BFADLO Cc1cc([NH2+]CCC(F)(F)F)ccc1N ZINC000063099326 970560264 /nfs/dbraw/zinc/56/02/64/970560264.db2.gz HWLRZYXVIXHICD-UHFFFAOYSA-N 1 2 218.222 2.942 20 0 BFADLO Cc1cc(CO)cc(C)c1Nc1[nH+]cccc1N ZINC001214946431 970579727 /nfs/dbraw/zinc/57/97/27/970579727.db2.gz CNIKITYLHUQSPZ-UHFFFAOYSA-N 1 2 243.310 2.517 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cc[nH]c(=O)c2)c1 ZINC001243429408 970720170 /nfs/dbraw/zinc/72/01/70/970720170.db2.gz VKERQHDOIOFWIE-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO CCCCCCc1nnc(C[N@H+](C)CC)o1 ZINC001256355570 970754365 /nfs/dbraw/zinc/75/43/65/970754365.db2.gz MELRLBPSNBVHDB-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CCCCCCc1nnc(C[N@@H+](C)CC)o1 ZINC001256355570 970754377 /nfs/dbraw/zinc/75/43/77/970754377.db2.gz MELRLBPSNBVHDB-UHFFFAOYSA-N 1 2 225.336 2.644 20 0 BFADLO CC(C)CC[C@H](C)OCc1c[nH+]cn1C ZINC001222595125 972592268 /nfs/dbraw/zinc/59/22/68/972592268.db2.gz PUHZIMPFGQTKFN-NSHDSACASA-N 1 2 210.321 2.761 20 0 BFADLO C[C@@H]1CC[C@H](OCc2c[nH+]cn2C)C[C@@H]1C ZINC001222595081 972593573 /nfs/dbraw/zinc/59/35/73/972593573.db2.gz NUBOZXHLNPPSIK-MDZLAQPJSA-N 1 2 222.332 2.761 20 0 BFADLO C[C@H](CCc1ccccc1)OCc1c[nH+]cn1C ZINC001222593981 972593976 /nfs/dbraw/zinc/59/39/76/972593976.db2.gz AUPIIXFQQKBDKV-CYBMUJFWSA-N 1 2 244.338 2.958 20 0 BFADLO C[C@H]1CC[C@H](OCc2c[nH+]cn2C)CC1 ZINC001222594631 972594306 /nfs/dbraw/zinc/59/43/06/972594306.db2.gz HXLWXOSUTASJTG-UMSPYCQHSA-N 1 2 208.305 2.515 20 0 BFADLO Cc1cnc(F)c([C@@H](C)OCc2c[nH+]cn2C)c1 ZINC001222600131 972597434 /nfs/dbraw/zinc/59/74/34/972597434.db2.gz KPEDDDBWLJEHCK-SNVBAGLBSA-N 1 2 249.289 2.540 20 0 BFADLO Cc1ccc(N[C@@H]2CCCn3nccc32)c(C)[nH+]1 ZINC001327595110 972657383 /nfs/dbraw/zinc/65/73/83/972657383.db2.gz HQLHMCHCIXVSNK-CYBMUJFWSA-N 1 2 242.326 2.842 20 0 BFADLO Fc1ccc2[nH]nc(C[NH+]3CCCCC3)c2c1 ZINC001144186622 972678448 /nfs/dbraw/zinc/67/84/48/972678448.db2.gz BGUBUZNZZKPIJB-UHFFFAOYSA-N 1 2 233.290 2.688 20 0 BFADLO CC1CC[NH+](Cc2c(F)cc(O)cc2F)CC1 ZINC001144541153 972861013 /nfs/dbraw/zinc/86/10/13/972861013.db2.gz CKQVDMAOJYYYBK-UHFFFAOYSA-N 1 2 241.281 2.902 20 0 BFADLO CC[NH+](CC)Cc1c(F)cc(O)cc1F ZINC001144542364 972863248 /nfs/dbraw/zinc/86/32/48/972863248.db2.gz VAZUKBXDQNOJMD-UHFFFAOYSA-N 1 2 215.243 2.512 20 0 BFADLO Oc1cc(F)c(C[NH+]2C3CCC2CC3)c(F)c1 ZINC001144554975 972867539 /nfs/dbraw/zinc/86/75/39/972867539.db2.gz PHRFKMGUGOFPIH-UHFFFAOYSA-N 1 2 239.265 2.797 20 0 BFADLO Cc1cc(COCCOC(C)C)cc(C)[nH+]1 ZINC001223418750 973049551 /nfs/dbraw/zinc/04/95/51/973049551.db2.gz AFSVGGOCKJWWKM-UHFFFAOYSA-N 1 2 223.316 2.640 20 0 BFADLO FCC[C@@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC001328555483 973137987 /nfs/dbraw/zinc/13/79/87/973137987.db2.gz AKOJESIDULQPCT-JTQLQIEISA-N 1 2 245.729 2.566 20 0 BFADLO FCC[C@@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC001328555483 973138003 /nfs/dbraw/zinc/13/80/03/973138003.db2.gz AKOJESIDULQPCT-JTQLQIEISA-N 1 2 245.729 2.566 20 0 BFADLO C[NH+]1CC(OCc2ccc(OC(C)(C)C)cc2)C1 ZINC001223880271 973319987 /nfs/dbraw/zinc/31/99/87/973319987.db2.gz ASOWBHJAHVHWSB-UHFFFAOYSA-N 1 2 249.354 2.695 20 0 BFADLO C[C@@H](OC1C[NH+](C)C1)c1ccc(Cl)cc1 ZINC001223958197 973360026 /nfs/dbraw/zinc/36/00/26/973360026.db2.gz JJKVEDJZKVOCBZ-SECBINFHSA-N 1 2 225.719 2.732 20 0 BFADLO CCC[C@H]1CCC[C@@H]1c1nnc(C[NH+](C)C)o1 ZINC001329324785 973677950 /nfs/dbraw/zinc/67/79/50/973677950.db2.gz XLXSSRGZTPYJPO-QWRGUYRKSA-N 1 2 237.347 2.815 20 0 BFADLO CC(C)(C)[C@H]([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001329877842 973998815 /nfs/dbraw/zinc/99/88/15/973998815.db2.gz WSYVLEPIAQJEQT-CYBMUJFWSA-N 1 2 244.342 2.682 20 0 BFADLO CCOC(=[NH2+])CCCCO[C@@H]1CCO[C@H](C)C1 ZINC001224964646 974106339 /nfs/dbraw/zinc/10/63/39/974106339.db2.gz BCVNKAOADZYUEW-VXGBXAGGSA-N 1 2 243.347 2.755 20 0 BFADLO C[C@H](C[N@@H+]1CC[C@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848136 974208167 /nfs/dbraw/zinc/20/81/67/974208167.db2.gz ZKHDTUQZHBBGRO-QWRGUYRKSA-N 1 2 249.345 2.761 20 0 BFADLO C[C@H](C[N@H+]1CC[C@H](O)C(F)(F)C1)CC(C)(C)C ZINC001171848136 974208180 /nfs/dbraw/zinc/20/81/80/974208180.db2.gz ZKHDTUQZHBBGRO-QWRGUYRKSA-N 1 2 249.345 2.761 20 0 BFADLO CCOC(=O)[C@H]1CC[C@H](Oc2cc[nH+]cc2)CC1 ZINC001225295613 974368752 /nfs/dbraw/zinc/36/87/52/974368752.db2.gz MJHBISHEYIDJOJ-HAQNSBGRSA-N 1 2 249.310 2.582 20 0 BFADLO Cc1cc([C@H](C)Nc2cc(CO)cc[nH+]2)c(C)o1 ZINC001330805939 974483220 /nfs/dbraw/zinc/48/32/20/974483220.db2.gz MWAFYJNNFDFRIL-JTQLQIEISA-N 1 2 246.310 2.957 20 0 BFADLO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H]1CC1(F)F ZINC001172314642 974522516 /nfs/dbraw/zinc/52/25/16/974522516.db2.gz GTMXSHGLZLGBKC-LPEHRKFASA-N 1 2 221.291 2.577 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[C@H](C)C2)no1 ZINC001172365176 974641649 /nfs/dbraw/zinc/64/16/49/974641649.db2.gz JELMONNQCMZAHK-CKYFFXLPSA-N 1 2 237.347 2.635 20 0 BFADLO Cc1nc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC001172365179 974643933 /nfs/dbraw/zinc/64/39/33/974643933.db2.gz JELMONNQCMZAHK-JFGNBEQYSA-N 1 2 237.347 2.635 20 0 BFADLO Cc1nc(C[N@H+](C)[C@@H]2CC[C@@H](C)[C@@H](C)C2)no1 ZINC001172365179 974643936 /nfs/dbraw/zinc/64/39/36/974643936.db2.gz JELMONNQCMZAHK-JFGNBEQYSA-N 1 2 237.347 2.635 20 0 BFADLO CC1(C)CN(c2cc[nH+]cc2F)C1(C)C ZINC001331258304 974663139 /nfs/dbraw/zinc/66/31/39/974663139.db2.gz UJYAEURZYCVHLA-UHFFFAOYSA-N 1 2 208.280 2.846 20 0 BFADLO CCCCCC[C@H](CCC)[N@@H+]1CCOC(=O)C1 ZINC001172382912 974724427 /nfs/dbraw/zinc/72/44/27/974724427.db2.gz IJJMYHDPLAPXGF-ZDUSSCGKSA-N 1 2 241.375 2.984 20 0 BFADLO CCCCCC[C@H](CCC)[N@H+]1CCOC(=O)C1 ZINC001172382912 974724431 /nfs/dbraw/zinc/72/44/31/974724431.db2.gz IJJMYHDPLAPXGF-ZDUSSCGKSA-N 1 2 241.375 2.984 20 0 BFADLO CC[NH+]1CC(Oc2ccc(F)c(Cl)c2)C1 ZINC001225917247 974729029 /nfs/dbraw/zinc/72/90/29/974729029.db2.gz HSBHBECQPZOHFT-UHFFFAOYSA-N 1 2 229.682 2.562 20 0 BFADLO CC[C@H](CC(C)C)[N@@H+]1CCOCC(F)(F)C1 ZINC001172395871 974753279 /nfs/dbraw/zinc/75/32/79/974753279.db2.gz IWYKVRLVTHXLHB-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO CC[C@H](CC(C)C)[N@H+]1CCOCC(F)(F)C1 ZINC001172395871 974753285 /nfs/dbraw/zinc/75/32/85/974753285.db2.gz IWYKVRLVTHXLHB-LLVKDONJSA-N 1 2 235.318 2.779 20 0 BFADLO FC1(F)C[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172706409 974924814 /nfs/dbraw/zinc/92/48/14/974924814.db2.gz GUIHGYWENNLJAW-QWRGUYRKSA-N 1 2 243.684 2.804 20 0 BFADLO CCOc1cc[nH+]cc1Nc1ccccc1O ZINC001206193718 975059887 /nfs/dbraw/zinc/05/98/87/975059887.db2.gz RQTIRCLQCRGZOK-UHFFFAOYSA-N 1 2 230.267 2.930 20 0 BFADLO CCCCCc1cc(O)cc(OC2C[NH+](C)C2)c1 ZINC001227193694 975307303 /nfs/dbraw/zinc/30/73/03/975307303.db2.gz XZJHUGFRMFHPOB-UHFFFAOYSA-N 1 2 249.354 2.818 20 0 BFADLO Cc1nn(C)cc1[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227260100 975335905 /nfs/dbraw/zinc/33/59/05/975335905.db2.gz PBNDFOXMLGQDLL-LBPRGKRZSA-N 1 2 245.326 2.880 20 0 BFADLO Cc1cc[nH+]c(C)c1OCCOC(C)C ZINC001227265665 975335968 /nfs/dbraw/zinc/33/59/68/975335968.db2.gz VOCBIIGBHDRIRW-UHFFFAOYSA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H](C)c1ncccn1 ZINC001227260058 975336400 /nfs/dbraw/zinc/33/64/00/975336400.db2.gz OBGOOAMVSBFBJL-NSHDSACASA-N 1 2 229.283 2.628 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@H](C)c1cncnc1 ZINC001227263711 975338742 /nfs/dbraw/zinc/33/87/42/975338742.db2.gz HDXGJWOFZLDVAG-LLVKDONJSA-N 1 2 229.283 2.628 20 0 BFADLO CC[C@H](COC)Oc1c(C)cc[nH+]c1C ZINC001227263308 975339291 /nfs/dbraw/zinc/33/92/91/975339291.db2.gz DCOJFQNOYQPRCM-LLVKDONJSA-N 1 2 209.289 2.502 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H](C)c1cnccn1 ZINC001227263808 975339987 /nfs/dbraw/zinc/33/99/87/975339987.db2.gz IKWUDVIDRJNWOE-NSHDSACASA-N 1 2 229.283 2.628 20 0 BFADLO Cc1cc[nH+]c(C)c1O[C@@H]1CCO[C@H](C)C1 ZINC001227263301 975340349 /nfs/dbraw/zinc/34/03/49/975340349.db2.gz CSDJNGGHVPOPEI-ZYHUDNBSSA-N 1 2 221.300 2.645 20 0 BFADLO CCC(=O)[C@@H](CC)Oc1c(C)cc[nH+]c1C ZINC001227263339 975340504 /nfs/dbraw/zinc/34/05/04/975340504.db2.gz FFTSVWXHQIHLLX-GFCCVEGCSA-N 1 2 221.300 2.835 20 0 BFADLO CCc1ccc(OC2C[NH+](C(C)C)C2)c(OC)c1 ZINC001227404071 975380458 /nfs/dbraw/zinc/38/04/58/975380458.db2.gz JQXVAADBVUGPSF-UHFFFAOYSA-N 1 2 249.354 2.729 20 0 BFADLO CC[C@H](CC(C)C)c1nnc(C[NH+](C)C)o1 ZINC001333121712 975452647 /nfs/dbraw/zinc/45/26/47/975452647.db2.gz MPCNQOFTWZSPPI-SNVBAGLBSA-N 1 2 225.336 2.671 20 0 BFADLO C[NH+]1CC(Oc2ccc(Cl)c3cccnc23)C1 ZINC001227518781 975501531 /nfs/dbraw/zinc/50/15/31/975501531.db2.gz USMHQEAJGQSGJE-UHFFFAOYSA-N 1 2 248.713 2.581 20 0 BFADLO COc1ccc(Nc2[nH+]cc(O)cc2C)cc1 ZINC001173805940 975692564 /nfs/dbraw/zinc/69/25/64/975692564.db2.gz QUIOSDZIVZGOQA-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CC[NH+]1CC(Oc2cc(F)cc(Cl)c2)C1 ZINC001227855204 975743202 /nfs/dbraw/zinc/74/32/02/975743202.db2.gz MBNVYBHVOFTNDU-UHFFFAOYSA-N 1 2 229.682 2.562 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1cccc(F)c1 ZINC001173832355 975854739 /nfs/dbraw/zinc/85/47/39/975854739.db2.gz JKYBXYRXAVWWCA-UHFFFAOYSA-N 1 2 218.231 2.978 20 0 BFADLO CC(=O)c1ccc(OC2C[NH+](C(C)C)C2)cc1C ZINC001228216395 976002112 /nfs/dbraw/zinc/00/21/12/976002112.db2.gz IHYJBIPPLZVFAG-UHFFFAOYSA-N 1 2 247.338 2.669 20 0 BFADLO CCc1ccccc1Nc1[nH+]cccc1CCO ZINC001173969440 976031494 /nfs/dbraw/zinc/03/14/94/976031494.db2.gz GTHYEWOFJMOPJQ-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO COc1ccc(F)cc1Nc1[nH+]cc(C)cc1N ZINC001173954460 976117561 /nfs/dbraw/zinc/11/75/61/976117561.db2.gz AMVWRIGUTOAGFM-UHFFFAOYSA-N 1 2 247.273 2.864 20 0 BFADLO Cc1[nH]c2ccc(O[C@H]3CCCCC3=O)cc2[nH+]1 ZINC001228329544 976131005 /nfs/dbraw/zinc/13/10/05/976131005.db2.gz NBGNQAUMAJTCJP-AWEZNQCLSA-N 1 2 244.294 2.762 20 0 BFADLO CCC[C@@](C)([NH2+]Cc1nnc[nH]1)c1ccccc1 ZINC001333921383 976160764 /nfs/dbraw/zinc/16/07/64/976160764.db2.gz MTBCMKMLSQVYGI-CQSZACIVSA-N 1 2 244.342 2.610 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2c(c1)CCO2 ZINC001174009036 976166287 /nfs/dbraw/zinc/16/62/87/976166287.db2.gz QTBKRVXLPMLTDG-UHFFFAOYSA-N 1 2 242.278 2.774 20 0 BFADLO Cc1ccc(Nc2ccccc2C(N)=O)c(C)[nH+]1 ZINC001173979071 976195966 /nfs/dbraw/zinc/19/59/66/976195966.db2.gz JOYBVOBGFGOXQM-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO Cc1cc(C)c(Nc2ccccc2C(N)=O)c[nH+]1 ZINC001173980143 976197969 /nfs/dbraw/zinc/19/79/69/976197969.db2.gz NLIUOXUWVGOQFO-UHFFFAOYSA-N 1 2 241.294 2.541 20 0 BFADLO COc1ncccc1Nc1cc(C)cc(C)[nH+]1 ZINC001174040497 976247275 /nfs/dbraw/zinc/24/72/75/976247275.db2.gz MXKQURQPVDLQPM-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1ncccc1Nc1c[nH+]c(C)cc1C ZINC001174040868 976254902 /nfs/dbraw/zinc/25/49/02/976254902.db2.gz AMBJSMZFDMKPFQ-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1cc(Nc2cnccc2C)cc(C)[nH+]1 ZINC001174116667 976338203 /nfs/dbraw/zinc/33/82/03/976338203.db2.gz IDBGJYZRLKACSO-UHFFFAOYSA-N 1 2 229.283 2.846 20 0 BFADLO COc1ccc(Nc2c[nH+]ccc2OC)c(F)c1 ZINC001174144560 976376698 /nfs/dbraw/zinc/37/66/98/976376698.db2.gz YFDPZHMXKXFIHG-UHFFFAOYSA-N 1 2 248.257 2.982 20 0 BFADLO Cc1n[nH]c(C)c1Nc1c[nH+]c(C)cc1C ZINC001174215218 976400097 /nfs/dbraw/zinc/40/00/97/976400097.db2.gz FCMJXQZLUSCMGL-UHFFFAOYSA-N 1 2 216.288 2.782 20 0 BFADLO CCOc1cc[nH+]cc1Nc1c(C)nn(C)c1C ZINC001174225107 976419308 /nfs/dbraw/zinc/41/93/08/976419308.db2.gz ALNDSHLZDRWMDP-UHFFFAOYSA-N 1 2 246.314 2.574 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc2n[nH]cc2c1 ZINC001174271768 976495540 /nfs/dbraw/zinc/49/55/40/976495540.db2.gz FLOKJIKQCLVBGF-UHFFFAOYSA-N 1 2 240.266 2.716 20 0 BFADLO COc1cc(Nc2cc(C)cc[nH+]2)ccn1 ZINC001174306032 976519069 /nfs/dbraw/zinc/51/90/69/976519069.db2.gz VKZJBHCGZZNZGZ-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO Cc1cc[nH+]c(C(C)C)c1Nc1cnn(C)c1 ZINC001174331062 976539267 /nfs/dbraw/zinc/53/92/67/976539267.db2.gz KCTZYOZGBBPYLZ-UHFFFAOYSA-N 1 2 230.315 2.991 20 0 BFADLO Cc1cccc(Nc2cnc3[nH]ccc3c2)[nH+]1 ZINC001174394655 976586635 /nfs/dbraw/zinc/58/66/35/976586635.db2.gz RCOOZDBNTXJFQH-UHFFFAOYSA-N 1 2 224.267 2.962 20 0 BFADLO c1cc2c(nccc2-c2c[nH+]c3n2CCCC3)[nH]1 ZINC001334801402 976690786 /nfs/dbraw/zinc/69/07/86/976690786.db2.gz CLZPMSIPNFQNHK-UHFFFAOYSA-N 1 2 238.294 2.763 20 0 BFADLO c1cc2c(nccc2Nc2cccc3[nH+]ccn32)[nH]1 ZINC001174409570 976694721 /nfs/dbraw/zinc/69/47/21/976694721.db2.gz SISOFMVKKACEIQ-UHFFFAOYSA-N 1 2 249.277 2.906 20 0 BFADLO CCc1cc(NC[C@@H](C)SC)nc(CC)[nH+]1 ZINC001334964508 976808931 /nfs/dbraw/zinc/80/89/31/976808931.db2.gz IGYPEVITRPCIKP-SECBINFHSA-N 1 2 239.388 2.765 20 0 BFADLO CC[NH+]1CC(Oc2ccc3nc(C)sc3c2)C1 ZINC001229315156 976821954 /nfs/dbraw/zinc/82/19/54/976821954.db2.gz VRUNHANYJRIATN-UHFFFAOYSA-N 1 2 248.351 2.688 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(O)cc2C)[nH+]1 ZINC001174559949 976876563 /nfs/dbraw/zinc/87/65/63/976876563.db2.gz QKPNDNVDOYMMHG-UHFFFAOYSA-N 1 2 230.267 2.853 20 0 BFADLO CCn1cc(Nc2cccn3cc(C)[nH+]c23)cn1 ZINC001174566977 976882857 /nfs/dbraw/zinc/88/28/57/976882857.db2.gz LCDJDGQJUPVESL-UHFFFAOYSA-N 1 2 241.298 2.603 20 0 BFADLO Oc1ccc(F)cc1Nc1cccn2cc[nH+]c12 ZINC001174625810 976894392 /nfs/dbraw/zinc/89/43/92/976894392.db2.gz KFXTYWXUVJANMS-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(F)ccc1O ZINC001174626567 976895189 /nfs/dbraw/zinc/89/51/89/976895189.db2.gz WJGSVBGQTDSCFR-UHFFFAOYSA-N 1 2 234.230 2.679 20 0 BFADLO Oc1ccc(F)cc1Nc1ccn2cc[nH+]c2c1 ZINC001174630913 976900947 /nfs/dbraw/zinc/90/09/47/976900947.db2.gz PCQQSHMFVAAUGI-UHFFFAOYSA-N 1 2 243.241 2.923 20 0 BFADLO Cc1ccc([N@H+]2C(=N)C=C(Cl)C=C2N)cc1C ZINC001174633742 976905979 /nfs/dbraw/zinc/90/59/79/976905979.db2.gz MSPQOCLEVQHMCM-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO Cc1ccc([N@@H+]2C(=N)C=C(Cl)C=C2N)cc1C ZINC001174633742 976905991 /nfs/dbraw/zinc/90/59/91/976905991.db2.gz MSPQOCLEVQHMCM-UHFFFAOYSA-N 1 2 247.729 2.809 20 0 BFADLO CN(C)c1ccc(Nc2ccc(O)c(F)c2)c[nH+]1 ZINC001174732819 976975808 /nfs/dbraw/zinc/97/58/08/976975808.db2.gz KBVQNPCNNDUATQ-UHFFFAOYSA-N 1 2 247.273 2.736 20 0 BFADLO Cc1cc(O)c[nH+]c1Nc1ccc(O)c(F)c1 ZINC001174733615 976980070 /nfs/dbraw/zinc/98/00/70/976980070.db2.gz RTODGQOSKCLQPD-UHFFFAOYSA-N 1 2 234.230 2.684 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cc(C)nn2C)cc1 ZINC001174830113 977089456 /nfs/dbraw/zinc/08/94/56/977089456.db2.gz SHMONHZPMMHBDV-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cc(C)nn2C)cc1 ZINC001174830113 977089469 /nfs/dbraw/zinc/08/94/69/977089469.db2.gz SHMONHZPMMHBDV-UHFFFAOYSA-N 1 2 244.342 2.928 20 0 BFADLO CCc1cc(N[C@@H]2CCOC2(C)C)nc(CC)[nH+]1 ZINC001335501248 977103380 /nfs/dbraw/zinc/10/33/80/977103380.db2.gz OYVBNHBFECLVQY-LLVKDONJSA-N 1 2 249.358 2.581 20 0 BFADLO CC[NH+]1CC(Oc2c(O)cccc2C(C)(C)C)C1 ZINC001230372618 977201430 /nfs/dbraw/zinc/20/14/30/977201430.db2.gz CZRWNPAILRQNEA-UHFFFAOYSA-N 1 2 249.354 2.773 20 0 BFADLO CN(C)c1ccc(Nc2ccc(O)cc2)c[nH+]1 ZINC001175038845 977228157 /nfs/dbraw/zinc/22/81/57/977228157.db2.gz KHCICQWQILCSLC-UHFFFAOYSA-N 1 2 229.283 2.597 20 0 BFADLO CC[NH+]1CC(Oc2cnc3ccc(C)cc3c2)C1 ZINC001230524059 977232558 /nfs/dbraw/zinc/23/25/58/977232558.db2.gz JXXCATCRFGVSAU-UHFFFAOYSA-N 1 2 242.322 2.626 20 0 BFADLO CC(C)[NH+]1CC(Oc2ccc3[nH]ccc3c2F)C1 ZINC001230766812 977329921 /nfs/dbraw/zinc/32/99/21/977329921.db2.gz QJBHTBFXMQSGER-UHFFFAOYSA-N 1 2 248.301 2.778 20 0 BFADLO CCc1cccc(Nc2ccc(N(C)C)nc2)[nH+]1 ZINC001175341753 977366496 /nfs/dbraw/zinc/36/64/96/977366496.db2.gz NYHWZSGURKUQQH-UHFFFAOYSA-N 1 2 242.326 2.849 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cnc1OC ZINC001175336142 977382511 /nfs/dbraw/zinc/38/25/11/977382511.db2.gz RPEKLHVCOYABGS-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO CN(C)c1ccc(Nc2ccc(Cl)cn2)c[nH+]1 ZINC001175338200 977386058 /nfs/dbraw/zinc/38/60/58/977386058.db2.gz QHSUHWUQESWXIX-UHFFFAOYSA-N 1 2 248.717 2.940 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(N(C)C)nc1 ZINC001175338650 977387336 /nfs/dbraw/zinc/38/73/36/977387336.db2.gz ZWXFFPAKPWWPRN-UHFFFAOYSA-N 1 2 228.299 2.595 20 0 BFADLO Cc1cn2cccc(Nc3cncs3)c2[nH+]1 ZINC001175495847 977453252 /nfs/dbraw/zinc/45/32/52/977453252.db2.gz WDHNXRLZKGVTON-UHFFFAOYSA-N 1 2 230.296 2.843 20 0 BFADLO CCN(C)c1ccc(Nc2cncs2)c[nH+]1 ZINC001175496659 977460173 /nfs/dbraw/zinc/46/01/73/977460173.db2.gz GTKFGGLIRJDDQX-UHFFFAOYSA-N 1 2 234.328 2.738 20 0 BFADLO c1c[nH+]c(-c2ccc(OC[C@H]3CCCO3)cc2)[nH]1 ZINC001231082608 977468702 /nfs/dbraw/zinc/46/87/02/977468702.db2.gz XIRJLUHRSLESTO-CYBMUJFWSA-N 1 2 244.294 2.635 20 0 BFADLO c1c[nH+]c(-c2ccc(OC[C@@H]3CCCO3)cc2)[nH]1 ZINC001231082611 977469140 /nfs/dbraw/zinc/46/91/40/977469140.db2.gz XIRJLUHRSLESTO-ZDUSSCGKSA-N 1 2 244.294 2.635 20 0 BFADLO Cc1ccc(Nc2cccc(CO)c2)[nH+]c1 ZINC001175507557 977480156 /nfs/dbraw/zinc/48/01/56/977480156.db2.gz QZDFYVBSUMBTPP-UHFFFAOYSA-N 1 2 214.268 2.626 20 0 BFADLO Cc1ccc(Nc2cccc(CO)c2)c(C)[nH+]1 ZINC001175507595 977480867 /nfs/dbraw/zinc/48/08/67/977480867.db2.gz TXGAOEXDRXHWIK-UHFFFAOYSA-N 1 2 228.295 2.934 20 0 BFADLO Cc1ccc[nH+]c1Nc1ccc(CO)cc1 ZINC001175563603 977546421 /nfs/dbraw/zinc/54/64/21/977546421.db2.gz ZLZPHFOQILCXHW-UHFFFAOYSA-N 1 2 214.268 2.626 20 0 BFADLO CC[NH+]1CC(Oc2c(C)c(C)c(O)c(C)c2C)C1 ZINC001231339141 977575085 /nfs/dbraw/zinc/57/50/85/977575085.db2.gz CDCOIHQVHNORHS-UHFFFAOYSA-N 1 2 249.354 2.709 20 0 BFADLO CC(C)[NH+]1CC(Oc2nccc3ccsc32)C1 ZINC001231347265 977576782 /nfs/dbraw/zinc/57/67/82/977576782.db2.gz IYMKLCDKODJSIR-UHFFFAOYSA-N 1 2 248.351 2.768 20 0 BFADLO CCc1ccc(C[N@@H+]2CCc3occc3C2)nc1 ZINC001231641526 977659916 /nfs/dbraw/zinc/65/99/16/977659916.db2.gz CLVPTEACIUBOGB-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCc1ccc(C[N@H+]2CCc3occc3C2)nc1 ZINC001231641526 977659922 /nfs/dbraw/zinc/65/99/22/977659922.db2.gz CLVPTEACIUBOGB-UHFFFAOYSA-N 1 2 242.322 2.795 20 0 BFADLO CCOc1ccc(Nc2cccc(C)[nH+]2)cn1 ZINC001175735960 977669292 /nfs/dbraw/zinc/66/92/92/977669292.db2.gz OVURGIZKNGTZSW-UHFFFAOYSA-N 1 2 229.283 2.927 20 0 BFADLO CC[C@@H]1CN(c2cc(F)cc(C)[nH+]2)C[C@@H](C)O1 ZINC001336515989 977744827 /nfs/dbraw/zinc/74/48/27/977744827.db2.gz HPVWDTYZCAVBPL-ZYHUDNBSSA-N 1 2 238.306 2.533 20 0 BFADLO CCc1ccc(N(C)CCOCC2CC2)[nH+]c1 ZINC001336544003 977763634 /nfs/dbraw/zinc/76/36/34/977763634.db2.gz OURSMYDBSUFGFV-UHFFFAOYSA-N 1 2 234.343 2.507 20 0 BFADLO COC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1C(C)C ZINC001231874869 977774983 /nfs/dbraw/zinc/77/49/83/977774983.db2.gz XEINNJYMBZQMGJ-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO COC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1C(C)C ZINC001231874869 977774994 /nfs/dbraw/zinc/77/49/94/977774994.db2.gz XEINNJYMBZQMGJ-AWEZNQCLSA-N 1 2 247.338 2.557 20 0 BFADLO Clc1cccnc1C[NH+]1CC2(CCC2)C1 ZINC001231956636 977810356 /nfs/dbraw/zinc/81/03/56/977810356.db2.gz QQMYEZAGIKCUON-UHFFFAOYSA-N 1 2 222.719 2.721 20 0 BFADLO c1cn2ccc(Nc3cnn(C4CC4)c3)cc2[nH+]1 ZINC001175961824 977829822 /nfs/dbraw/zinc/82/98/22/977829822.db2.gz NNCCMCSWJHCCDO-UHFFFAOYSA-N 1 2 239.282 2.609 20 0 BFADLO C[NH+](C)Cc1cc(C(F)(F)F)cnc1Cl ZINC001232004906 977833923 /nfs/dbraw/zinc/83/39/23/977833923.db2.gz DMFIWUWBKBPDBW-UHFFFAOYSA-N 1 2 238.640 2.815 20 0 BFADLO CCc1ccc(N2CC[C@](C)(COC)C2)[nH+]c1 ZINC001336653339 977835007 /nfs/dbraw/zinc/83/50/07/977835007.db2.gz TYDAFCJDJAQSBY-AWEZNQCLSA-N 1 2 234.343 2.507 20 0 BFADLO Cc1cc(F)cc(N2CCC(C)(F)CC2)[nH+]1 ZINC001336693224 977860114 /nfs/dbraw/zinc/86/01/14/977860114.db2.gz QMGIXQKQVRQCCR-UHFFFAOYSA-N 1 2 226.270 2.858 20 0 BFADLO CCC[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001336702923 977866917 /nfs/dbraw/zinc/86/69/17/977866917.db2.gz IIPIHNAVTMLTAQ-QWHCGFSZSA-N 1 2 249.358 2.625 20 0 BFADLO Fc1cc(C(F)(F)F)cnc1Nc1[nH]cc[nH+]1 ZINC001176079436 977873485 /nfs/dbraw/zinc/87/34/85/977873485.db2.gz JPVVBVBVZCWKLJ-UHFFFAOYSA-N 1 2 246.167 2.706 20 0 BFADLO C[N@H+](Cc1ccsc1)Cc1cnsc1 ZINC001232230452 977918212 /nfs/dbraw/zinc/91/82/12/977918212.db2.gz JXUIPJHENKFEOA-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO C[N@@H+](Cc1ccsc1)Cc1cnsc1 ZINC001232230452 977918223 /nfs/dbraw/zinc/91/82/23/977918223.db2.gz JXUIPJHENKFEOA-UHFFFAOYSA-N 1 2 224.354 2.837 20 0 BFADLO Cc1scnc1C[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001232210868 977936969 /nfs/dbraw/zinc/93/69/69/977936969.db2.gz UNSAEJVZIHOUBS-WPRPVWTQSA-N 1 2 228.336 2.631 20 0 BFADLO C[C@H]1C[N@H+](Cc2ccnc(C(C)(C)C)c2)CCO1 ZINC001232214315 977942844 /nfs/dbraw/zinc/94/28/44/977942844.db2.gz PCASUHPBCQEGHI-LBPRGKRZSA-N 1 2 248.370 2.600 20 0 BFADLO C[C@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)CCO1 ZINC001232214315 977942852 /nfs/dbraw/zinc/94/28/52/977942852.db2.gz PCASUHPBCQEGHI-LBPRGKRZSA-N 1 2 248.370 2.600 20 0 BFADLO COc1cc[nH+]cc1Nc1nc(C)c(C)s1 ZINC001176118120 977944949 /nfs/dbraw/zinc/94/49/49/977944949.db2.gz BABXRUYBCDRMJE-UHFFFAOYSA-N 1 2 235.312 2.907 20 0 BFADLO COc1cc[nH+]cc1Nc1cncc(OC)c1C ZINC001176116886 977946295 /nfs/dbraw/zinc/94/62/95/977946295.db2.gz OVIMKDGAIJIPCF-UHFFFAOYSA-N 1 2 245.282 2.546 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(C)cc(F)n1 ZINC001176121473 977948822 /nfs/dbraw/zinc/94/88/22/977948822.db2.gz JKQMNJNVZFIYAU-UHFFFAOYSA-N 1 2 233.246 2.676 20 0 BFADLO COc1cc[nH+]cc1Nc1ccc(C)cn1 ZINC001176118797 977950007 /nfs/dbraw/zinc/95/00/07/977950007.db2.gz IGILBKJNAWSYLT-UHFFFAOYSA-N 1 2 215.256 2.537 20 0 BFADLO CCc1ncsc1Nc1c[nH+]ccc1OC ZINC001176121507 977950533 /nfs/dbraw/zinc/95/05/33/977950533.db2.gz KLQVYOIXNJIKRO-UHFFFAOYSA-N 1 2 235.312 2.853 20 0 BFADLO COc1cc[nH+]cc1Nc1cccc2c1OCO2 ZINC001176121746 977956828 /nfs/dbraw/zinc/95/68/28/977956828.db2.gz NPEMZPNORCDYIL-UHFFFAOYSA-N 1 2 244.250 2.563 20 0 BFADLO COc1cc[nH+]cc1Nc1cn(CC(C)C)cn1 ZINC001176121749 977958256 /nfs/dbraw/zinc/95/82/56/977958256.db2.gz NVFOHGVFEWKOHX-UHFFFAOYSA-N 1 2 246.314 2.686 20 0 BFADLO COc1cc[nH+]cc1Nc1cc(N)ccc1F ZINC001176123418 977959640 /nfs/dbraw/zinc/95/96/40/977959640.db2.gz SEYQXLXTFPQZKS-UHFFFAOYSA-N 1 2 233.246 2.555 20 0 BFADLO COc1ccc(Nc2ccc(C)c[nH+]2)cc1O ZINC001176253781 978015290 /nfs/dbraw/zinc/01/52/90/978015290.db2.gz HLEFNRUTIXJKQD-UHFFFAOYSA-N 1 2 230.267 2.848 20 0 BFADLO CSc1cc(C)c(C[N@@H+]2CC[C@H](F)C2)cn1 ZINC001232341907 978022246 /nfs/dbraw/zinc/02/22/46/978022246.db2.gz HYBIKDGDMQPHAO-NSHDSACASA-N 1 2 240.347 2.656 20 0 BFADLO CSc1cc(C)c(C[N@H+]2CC[C@H](F)C2)cn1 ZINC001232341907 978022254 /nfs/dbraw/zinc/02/22/54/978022254.db2.gz HYBIKDGDMQPHAO-NSHDSACASA-N 1 2 240.347 2.656 20 0 BFADLO Cc1ccc(C)c(Nc2csc(CO)c2)[nH+]1 ZINC001176365645 978048506 /nfs/dbraw/zinc/04/85/06/978048506.db2.gz CRKGGEOPRBXJRY-UHFFFAOYSA-N 1 2 234.324 2.996 20 0 BFADLO Cc1ncc(Nc2ccc(C)[nH+]c2C)cn1 ZINC001176393633 978058123 /nfs/dbraw/zinc/05/81/23/978058123.db2.gz ONCPNRPDJVWHRH-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1cccc(F)c1C[N@@H+]1CCn2cccc2C1 ZINC001232484828 978139934 /nfs/dbraw/zinc/13/99/34/978139934.db2.gz MIVRAZATEFIBIK-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO Cc1cccc(F)c1C[N@H+]1CCn2cccc2C1 ZINC001232484828 978139943 /nfs/dbraw/zinc/13/99/43/978139943.db2.gz MIVRAZATEFIBIK-UHFFFAOYSA-N 1 2 244.313 2.951 20 0 BFADLO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)ccn1 ZINC001232490515 978143669 /nfs/dbraw/zinc/14/36/69/978143669.db2.gz LKHSDNPIZFNAIP-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)ccn1 ZINC001232490515 978143670 /nfs/dbraw/zinc/14/36/70/978143670.db2.gz LKHSDNPIZFNAIP-UHFFFAOYSA-N 1 2 246.285 2.558 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc2ccoc2cn1 ZINC001232549146 978170024 /nfs/dbraw/zinc/17/00/24/978170024.db2.gz BWQCVPUSVYZTHE-KOLCDFICSA-N 1 2 234.274 2.760 20 0 BFADLO C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc2ccoc2cn1 ZINC001232549146 978170029 /nfs/dbraw/zinc/17/00/29/978170029.db2.gz BWQCVPUSVYZTHE-KOLCDFICSA-N 1 2 234.274 2.760 20 0 BFADLO Cc1coc(Nc2ccc[nH+]c2N2CCCC2)n1 ZINC001176742930 978170348 /nfs/dbraw/zinc/17/03/48/978170348.db2.gz DLTNFYYRRUOKFZ-UHFFFAOYSA-N 1 2 244.298 2.722 20 0 BFADLO CCc1nn(C[N@H+](C)[C@H](C)C(C)C)c(=S)o1 ZINC001337112029 978171669 /nfs/dbraw/zinc/17/16/69/978171669.db2.gz CUOGSFJNFGJFKU-SECBINFHSA-N 1 2 243.376 2.702 20 0 BFADLO CCc1nn(C[N@@H+](C)[C@H](C)C(C)C)c(=S)o1 ZINC001337112029 978171679 /nfs/dbraw/zinc/17/16/79/978171679.db2.gz CUOGSFJNFGJFKU-SECBINFHSA-N 1 2 243.376 2.702 20 0 BFADLO F[C@H]1C[N@H+](Cc2cc3ccoc3cn2)C[C@@H]2C[C@@H]21 ZINC001232551134 978177009 /nfs/dbraw/zinc/17/70/09/978177009.db2.gz FWXMOYKSCCBLEF-DRZSPHRISA-N 1 2 246.285 2.618 20 0 BFADLO F[C@H]1C[N@@H+](Cc2cc3ccoc3cn2)C[C@@H]2C[C@@H]21 ZINC001232551134 978177019 /nfs/dbraw/zinc/17/70/19/978177019.db2.gz FWXMOYKSCCBLEF-DRZSPHRISA-N 1 2 246.285 2.618 20 0 BFADLO F[C@H]1CCC[N@H+](Cc2cc3ccoc3cn2)C1 ZINC001232551853 978177040 /nfs/dbraw/zinc/17/70/40/978177040.db2.gz SRSIQUGJEQEDPB-NSHDSACASA-N 1 2 234.274 2.762 20 0 BFADLO F[C@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232551853 978177044 /nfs/dbraw/zinc/17/70/44/978177044.db2.gz SRSIQUGJEQEDPB-NSHDSACASA-N 1 2 234.274 2.762 20 0 BFADLO COc1cccc(C)c1C[N@H+](C)Cc1ccno1 ZINC001232623421 978198720 /nfs/dbraw/zinc/19/87/20/978198720.db2.gz OZULMFMZSMMHSM-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO COc1cccc(C)c1C[N@@H+](C)Cc1ccno1 ZINC001232623421 978198724 /nfs/dbraw/zinc/19/87/24/978198724.db2.gz OZULMFMZSMMHSM-UHFFFAOYSA-N 1 2 246.310 2.624 20 0 BFADLO CCc1ccc(N2CC[C@@H]3CSC[C@@H]3C2)[nH+]c1 ZINC001337241155 978240139 /nfs/dbraw/zinc/24/01/39/978240139.db2.gz ZHTQCFWVHSEZLX-OLZOCXBDSA-N 1 2 248.395 2.833 20 0 BFADLO Oc1c(F)ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1F ZINC001232937936 978345905 /nfs/dbraw/zinc/34/59/05/978345905.db2.gz WZJBBYBUGDKQDA-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO Oc1c(F)ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1F ZINC001232937936 978345919 /nfs/dbraw/zinc/34/59/19/978345919.db2.gz WZJBBYBUGDKQDA-WCBMZHEXSA-N 1 2 239.265 2.655 20 0 BFADLO Cc1cc(C)c(Nc2cnc(N)c(F)c2)c[nH+]1 ZINC001249756418 978353407 /nfs/dbraw/zinc/35/34/07/978353407.db2.gz VWZFKACXYADKMM-UHFFFAOYSA-N 1 2 232.262 2.558 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001337510199 978382406 /nfs/dbraw/zinc/38/24/06/978382406.db2.gz QRRJHEGPBPECNL-VXGBXAGGSA-N 1 2 246.354 2.741 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC001232987048 978386748 /nfs/dbraw/zinc/38/67/48/978386748.db2.gz ZQRZIPVLBONTFT-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ncc(F)cc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001232987048 978386762 /nfs/dbraw/zinc/38/67/62/978386762.db2.gz ZQRZIPVLBONTFT-CYBMUJFWSA-N 1 2 240.297 2.853 20 0 BFADLO Cc1ncc(F)cc1C[N@H+](C)Cc1ccccn1 ZINC001232987550 978387301 /nfs/dbraw/zinc/38/73/01/978387301.db2.gz ZDYGIANCLNACHT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO Cc1ncc(F)cc1C[N@@H+](C)Cc1ccccn1 ZINC001232987550 978387308 /nfs/dbraw/zinc/38/73/08/978387308.db2.gz ZDYGIANCLNACHT-UHFFFAOYSA-N 1 2 245.301 2.556 20 0 BFADLO COc1cc(Cl)cc(F)c1C[NH+](C)C ZINC001233001310 978394890 /nfs/dbraw/zinc/39/48/90/978394890.db2.gz HMCNUDOVAOMONM-UHFFFAOYSA-N 1 2 217.671 2.549 20 0 BFADLO CCc1ccc(N2CCCO[C@H](CC)C2)[nH+]c1 ZINC001337859583 978529775 /nfs/dbraw/zinc/52/97/75/978529775.db2.gz QWUPYQIFTRKXGY-CYBMUJFWSA-N 1 2 234.343 2.649 20 0 BFADLO Clc1ccc(C[NH+]2CC3(CCC3)C2)o1 ZINC001233314119 978538280 /nfs/dbraw/zinc/53/82/80/978538280.db2.gz HWBPVOLFGXYSLN-UHFFFAOYSA-N 1 2 211.692 2.919 20 0 BFADLO Cc1cc(C[N@@H+]2CCc3occc3C2)sn1 ZINC001233312749 978540105 /nfs/dbraw/zinc/54/01/05/978540105.db2.gz JOQVYWOEAGJRRX-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cc(C[N@H+]2CCc3occc3C2)sn1 ZINC001233312749 978540116 /nfs/dbraw/zinc/54/01/16/978540116.db2.gz JOQVYWOEAGJRRX-UHFFFAOYSA-N 1 2 234.324 2.603 20 0 BFADLO Cc1cnsc1C[N@@H+](C)Cc1ccc(C)nc1 ZINC001233322592 978563491 /nfs/dbraw/zinc/56/34/91/978563491.db2.gz LELFQPBBEHJQMY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Cc1cnsc1C[N@H+](C)Cc1ccc(C)nc1 ZINC001233322592 978563493 /nfs/dbraw/zinc/56/34/93/978563493.db2.gz LELFQPBBEHJQMY-UHFFFAOYSA-N 1 2 247.367 2.787 20 0 BFADLO Nc1ccccc1Nc1ccn2cc[nH+]c2c1 ZINC001206331784 978574438 /nfs/dbraw/zinc/57/44/38/978574438.db2.gz VHPHBGDMCXWXLQ-UHFFFAOYSA-N 1 2 224.267 2.660 20 0 BFADLO Cc1ccc(Cc2c[nH+]c(C)c(N)c2)cc1 ZINC001249876210 978599432 /nfs/dbraw/zinc/59/94/32/978599432.db2.gz JBHMVRAPYJZWKI-UHFFFAOYSA-N 1 2 212.296 2.871 20 0 BFADLO CC[C@@H](C)CCC(=O)Nc1c(C)c[nH+]cc1C ZINC001338242537 978639486 /nfs/dbraw/zinc/63/94/86/978639486.db2.gz LQDLGDLPGYSRMP-SNVBAGLBSA-N 1 2 234.343 2.885 20 0 BFADLO CCOCCc1ccc(Cn2cc[nH+]c2)cc1 ZINC001249943445 978745988 /nfs/dbraw/zinc/74/59/88/978745988.db2.gz NTOVNHWTDUYAPJ-UHFFFAOYSA-N 1 2 230.311 2.510 20 0 BFADLO CCn1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC001179845907 978764835 /nfs/dbraw/zinc/76/48/35/978764835.db2.gz ZXUWQPIOSKUMJW-HNNXBMFYSA-N 1 2 241.338 2.850 20 0 BFADLO CCn1ccc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC001179845907 978764838 /nfs/dbraw/zinc/76/48/38/978764838.db2.gz ZXUWQPIOSKUMJW-HNNXBMFYSA-N 1 2 241.338 2.850 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC001338994290 978769317 /nfs/dbraw/zinc/76/93/17/978769317.db2.gz YMBCSWRALMUMKZ-GXFFZTMASA-N 1 2 246.354 2.885 20 0 BFADLO Cc1cc2ccccc2cc1OC1C[NH+](C)C1 ZINC001234109172 978777297 /nfs/dbraw/zinc/77/72/97/978777297.db2.gz MRHBEVBHLYMINP-UHFFFAOYSA-N 1 2 227.307 2.841 20 0 BFADLO Cc1cc(C(=O)Nc2c(C)c[nH+]cc2C)oc1C ZINC001339101197 978792800 /nfs/dbraw/zinc/79/28/00/978792800.db2.gz BDWSCNDKGOWLMM-UHFFFAOYSA-N 1 2 244.294 2.582 20 0 BFADLO Cc1cc(C)c(C(=O)N[C@@H]2C=CCCC2)c(C)[nH+]1 ZINC001339371643 978842388 /nfs/dbraw/zinc/84/23/88/978842388.db2.gz CJPBOILKQHXLNK-CYBMUJFWSA-N 1 2 244.338 2.845 20 0 BFADLO CCc1ccc(N2CC[C@@H]3OCCC[C@@H]3C2)[nH+]c1 ZINC001339628995 978882215 /nfs/dbraw/zinc/88/22/15/978882215.db2.gz NIMGFTAJKBVKDO-KGLIPLIRSA-N 1 2 246.354 2.649 20 0 BFADLO C[N@H+](Cc1cc(F)c(F)c(F)c1F)C1CC1 ZINC001235337489 979027231 /nfs/dbraw/zinc/02/72/31/979027231.db2.gz BBCFIPMLHGXPPI-UHFFFAOYSA-N 1 2 233.208 2.837 20 0 BFADLO C[N@@H+](Cc1cc(F)c(F)c(F)c1F)C1CC1 ZINC001235337489 979027240 /nfs/dbraw/zinc/02/72/40/979027240.db2.gz BBCFIPMLHGXPPI-UHFFFAOYSA-N 1 2 233.208 2.837 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ncc(Cl)cn1 ZINC001235399649 979035924 /nfs/dbraw/zinc/03/59/24/979035924.db2.gz AZZZEFSYEGCQOW-AOOOYVTPSA-N 1 2 239.750 2.893 20 0 BFADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ncc(Cl)cn1 ZINC001235399649 979035928 /nfs/dbraw/zinc/03/59/28/979035928.db2.gz AZZZEFSYEGCQOW-AOOOYVTPSA-N 1 2 239.750 2.893 20 0 BFADLO Clc1cnc(C[N@@H+]2CCC3(CCC3)C2)nc1 ZINC001235413867 979039614 /nfs/dbraw/zinc/03/96/14/979039614.db2.gz GDQIHHSGDGGPBJ-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO Clc1cnc(C[N@H+]2CCC3(CCC3)C2)nc1 ZINC001235413867 979039620 /nfs/dbraw/zinc/03/96/20/979039620.db2.gz GDQIHHSGDGGPBJ-UHFFFAOYSA-N 1 2 237.734 2.506 20 0 BFADLO Clc1cnc(C[NH+]2CCCCCCC2)nc1 ZINC001235413253 979040474 /nfs/dbraw/zinc/04/04/74/979040474.db2.gz NYUGWMWPUZYLME-UHFFFAOYSA-N 1 2 239.750 2.896 20 0 BFADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)cn2)[C@H](C)C1 ZINC001235412123 979040940 /nfs/dbraw/zinc/04/09/40/979040940.db2.gz AWMBVRLUEXJNRZ-NXEZZACHSA-N 1 2 239.750 2.750 20 0 BFADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)cn2)[C@H](C)C1 ZINC001235412123 979040945 /nfs/dbraw/zinc/04/09/45/979040945.db2.gz AWMBVRLUEXJNRZ-NXEZZACHSA-N 1 2 239.750 2.750 20 0 BFADLO Cc1ccc(O)c(Nc2ccc(C)[nH+]c2C)n1 ZINC001203367983 979279735 /nfs/dbraw/zinc/27/97/35/979279735.db2.gz RYQDJVDCACEWSK-UHFFFAOYSA-N 1 2 229.283 2.851 20 0 BFADLO COCOc1ccc(F)cc1/C(C)=C/C=C/[NH3+] ZINC001236073221 979362073 /nfs/dbraw/zinc/36/20/73/979362073.db2.gz DIXVXYZMGQKLHU-DROBUMMNSA-N 1 2 237.274 2.684 20 0 BFADLO Cc1nocc1Nc1ccc(C)[nH+]c1C ZINC001203370089 979470203 /nfs/dbraw/zinc/47/02/03/979470203.db2.gz GEGRHKHWZPPAPC-UHFFFAOYSA-N 1 2 203.245 2.738 20 0 BFADLO C/C(=C/c1nnc(C[NH+](C)C)o1)c1ccccc1 ZINC001341626673 979498016 /nfs/dbraw/zinc/49/80/16/979498016.db2.gz YBUFGWZBRJCQEC-LUAWRHEFSA-N 1 2 243.310 2.692 20 0 BFADLO Cc1nc2cc(-c3ccc(N)[nH+]c3)ccc2o1 ZINC001236312932 979516408 /nfs/dbraw/zinc/51/64/08/979516408.db2.gz BTHDFAWHKXDESK-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1cc(C)cc(-c2ccc(N)[nH+]c2)c1 ZINC001236313447 979519239 /nfs/dbraw/zinc/51/92/39/979519239.db2.gz QZAJNOHRLCSXIT-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO CN(C)c1cc(C2=CCSCC2)cc[nH+]1 ZINC001236367073 979562588 /nfs/dbraw/zinc/56/25/88/979562588.db2.gz NPVIWQAUYSXUSL-UHFFFAOYSA-N 1 2 220.341 2.668 20 0 BFADLO Fc1ccc(C[N@@H+]2CCC23COC3)c2occc21 ZINC001236907618 979790889 /nfs/dbraw/zinc/79/08/89/979790889.db2.gz XYNPSWXGKMISEW-UHFFFAOYSA-N 1 2 247.269 2.547 20 0 BFADLO Fc1ccc(C[N@H+]2CCC23COC3)c2occc21 ZINC001236907618 979790903 /nfs/dbraw/zinc/79/09/03/979790903.db2.gz XYNPSWXGKMISEW-UHFFFAOYSA-N 1 2 247.269 2.547 20 0 BFADLO Oc1cc(F)cc(C[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001237277037 979860225 /nfs/dbraw/zinc/86/02/25/979860225.db2.gz LFYMMAUEELDQHK-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Oc1cc(F)cc(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001237277037 979860227 /nfs/dbraw/zinc/86/02/27/979860227.db2.gz LFYMMAUEELDQHK-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO c1c2ccccn2nc1C[NH+]1CC2(C1)CCCC2 ZINC001237438831 979891778 /nfs/dbraw/zinc/89/17/78/979891778.db2.gz LDOJUZPJJSWWEH-UHFFFAOYSA-N 1 2 241.338 2.710 20 0 BFADLO O=C1CC[N@H+](Cc2ccco2)[C@H]2CCCC[C@H]12 ZINC001203270687 979944084 /nfs/dbraw/zinc/94/40/84/979944084.db2.gz MPGFXLMMQIGAAS-STQMWFEESA-N 1 2 233.311 2.613 20 0 BFADLO O=C1CC[N@@H+](Cc2ccco2)[C@H]2CCCC[C@H]12 ZINC001203270687 979944088 /nfs/dbraw/zinc/94/40/88/979944088.db2.gz MPGFXLMMQIGAAS-STQMWFEESA-N 1 2 233.311 2.613 20 0 BFADLO CCCCC[NH+](CCCCC)Cc1nnc[nH]1 ZINC001237602193 979963212 /nfs/dbraw/zinc/96/32/12/979963212.db2.gz PNFFASCLCVRMIM-UHFFFAOYSA-N 1 2 238.379 2.987 20 0 BFADLO CCc1cc(N[C@@H]2CC[C@@H](OC)C2)nc(CC)[nH+]1 ZINC001343022888 979981523 /nfs/dbraw/zinc/98/15/23/979981523.db2.gz ZKODPYDMTQEDGY-VXGBXAGGSA-N 1 2 249.358 2.581 20 0 BFADLO CCc1[nH]ncc1C[NH+]1CC(c2ccccc2)C1 ZINC001237660148 980020793 /nfs/dbraw/zinc/02/07/93/980020793.db2.gz ULLVZQRDXXHOIW-UHFFFAOYSA-N 1 2 241.338 2.572 20 0 BFADLO Cc1nc(C[N@@H+]2CCCC[C@H](F)C2)ccc1F ZINC001237815582 980067424 /nfs/dbraw/zinc/06/74/24/980067424.db2.gz WCQFRALXMVEWPB-NSHDSACASA-N 1 2 240.297 2.853 20 0 BFADLO Cc1nc(C[N@H+]2CCCC[C@H](F)C2)ccc1F ZINC001237815582 980067432 /nfs/dbraw/zinc/06/74/32/980067432.db2.gz WCQFRALXMVEWPB-NSHDSACASA-N 1 2 240.297 2.853 20 0 BFADLO COc1ccoc1C[N@H+](C)C1CC(F)(F)C1 ZINC001237862497 980099200 /nfs/dbraw/zinc/09/92/00/980099200.db2.gz CDDUXWBMFOHYRE-UHFFFAOYSA-N 1 2 231.242 2.518 20 0 BFADLO COc1ccoc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001237862497 980099212 /nfs/dbraw/zinc/09/92/12/980099212.db2.gz CDDUXWBMFOHYRE-UHFFFAOYSA-N 1 2 231.242 2.518 20 0 BFADLO COc1ccoc1C[NH+]1CCC(F)(F)CC1 ZINC001237863369 980102136 /nfs/dbraw/zinc/10/21/36/980102136.db2.gz LHHOHVLLLFINGE-UHFFFAOYSA-N 1 2 231.242 2.519 20 0 BFADLO Nc1cc(-c2cccc(OC(F)F)c2)cc[nH+]1 ZINC000722570512 980217412 /nfs/dbraw/zinc/21/74/12/980217412.db2.gz JCEOWVXXKNJGQW-UHFFFAOYSA-N 1 2 236.221 2.932 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(C2CC2)c1 ZINC001238195866 980222225 /nfs/dbraw/zinc/22/22/25/980222225.db2.gz JCKUADCZEIHEQV-HNNXBMFYSA-N 1 2 244.338 2.512 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cncc(C2CC2)c1 ZINC001238195866 980222234 /nfs/dbraw/zinc/22/22/34/980222234.db2.gz JCKUADCZEIHEQV-HNNXBMFYSA-N 1 2 244.338 2.512 20 0 BFADLO COc1c(C[N@@H+]2CC[C@@H]2C)ccc(F)c1F ZINC001238465748 980271206 /nfs/dbraw/zinc/27/12/06/980271206.db2.gz BUNULVQABXKCFH-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO COc1c(C[N@H+]2CC[C@@H]2C)ccc(F)c1F ZINC001238465748 980271209 /nfs/dbraw/zinc/27/12/09/980271209.db2.gz BUNULVQABXKCFH-QMMMGPOBSA-N 1 2 227.254 2.568 20 0 BFADLO CC(C)CCC(=O)OCC(C)(C)n1cc[nH+]c1 ZINC001344126178 980352662 /nfs/dbraw/zinc/35/26/62/980352662.db2.gz HKCQQLPKZAQHDO-UHFFFAOYSA-N 1 2 238.331 2.598 20 0 BFADLO Cc1cc[nH+]c(C)c1-c1cccc(CCO)c1 ZINC001239029774 980415875 /nfs/dbraw/zinc/41/58/75/980415875.db2.gz HPVGECRAAANRFG-UHFFFAOYSA-N 1 2 227.307 2.900 20 0 BFADLO OCCc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001239031218 980417135 /nfs/dbraw/zinc/41/71/35/980417135.db2.gz ODCAWGVTXIOINF-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO CC(C)n1ccc(-c2ccc[nH+]c2N)c1 ZINC001239068806 980444147 /nfs/dbraw/zinc/44/41/47/980444147.db2.gz YFRZFZRTFCHTQP-UHFFFAOYSA-N 1 2 201.273 2.713 20 0 BFADLO CC(C)(O)/C=C/c1cc[nH+]c(N2CCCCC2)c1 ZINC001239150060 980463697 /nfs/dbraw/zinc/46/36/97/980463697.db2.gz BGVOVMFLGVWJDI-SOFGYWHQSA-N 1 2 246.354 2.856 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(/C=C/C(C)(C)O)cc1 ZINC001239158150 980472429 /nfs/dbraw/zinc/47/24/29/980472429.db2.gz SHMRFZGPYXWNRG-CMDGGOBGSA-N 1 2 242.322 2.871 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ncncc2Cl)c1 ZINC001203654084 980475760 /nfs/dbraw/zinc/47/57/60/980475760.db2.gz CSUYWFDUPYUMNU-UHFFFAOYSA-N 1 2 234.690 2.885 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2ccnc(C)n2)c1 ZINC001203654610 980477504 /nfs/dbraw/zinc/47/75/04/980477504.db2.gz MOQJRKVJAAUOCT-UHFFFAOYSA-N 1 2 214.272 2.540 20 0 BFADLO Cc1c[nH+]c(C)c(Nc2nc(C)cnc2C)c1 ZINC001203654681 980479325 /nfs/dbraw/zinc/47/93/25/980479325.db2.gz PJFCFKIHQCHNSS-UHFFFAOYSA-N 1 2 228.299 2.849 20 0 BFADLO CCn1c[nH+]cc1COC(=O)CCCC(C)C ZINC001344971116 980509552 /nfs/dbraw/zinc/50/95/52/980509552.db2.gz GQQIGROREWUWBV-UHFFFAOYSA-N 1 2 238.331 2.773 20 0 BFADLO CNc1ccc(-c2cccc3[nH+]ccn32)c(F)n1 ZINC001239420402 980568791 /nfs/dbraw/zinc/56/87/91/980568791.db2.gz BLEQVRMZTGBJNN-UHFFFAOYSA-N 1 2 242.257 2.577 20 0 BFADLO CNc1ccc(-c2c[nH+]c(C)cc2OC)c(F)n1 ZINC001239429422 980572546 /nfs/dbraw/zinc/57/25/46/980572546.db2.gz RHQHUDCEJBXDPD-UHFFFAOYSA-N 1 2 247.273 2.641 20 0 BFADLO C[NH+](C)Cc1nnc(CCCC2CCCC2)o1 ZINC001345942214 980713373 /nfs/dbraw/zinc/71/33/73/980713373.db2.gz YIKZHNJCDDIMOR-UHFFFAOYSA-N 1 2 237.347 2.644 20 0 BFADLO FC(F)(F)c1cc(CCn2cc[nH+]c2)ccn1 ZINC001250315043 980754572 /nfs/dbraw/zinc/75/45/72/980754572.db2.gz BUTXHWHHJFFBMZ-UHFFFAOYSA-N 1 2 241.216 2.540 20 0 BFADLO CCOc1ccc(C)c(F)c1CCn1cc[nH+]c1 ZINC001250320233 980761074 /nfs/dbraw/zinc/76/10/74/980761074.db2.gz JHBOBUVWBPWYLL-UHFFFAOYSA-N 1 2 248.301 2.972 20 0 BFADLO COc1ccc2[nH]c(CCn3cc[nH+]c3)cc2c1 ZINC001250320426 980761123 /nfs/dbraw/zinc/76/11/23/980761123.db2.gz LENWYWWDPBBUEO-UHFFFAOYSA-N 1 2 241.294 2.616 20 0 BFADLO Cc1c[nH+]c(-c2c(F)cccc2F)cc1N ZINC001239572650 980761563 /nfs/dbraw/zinc/76/15/63/980761563.db2.gz UQTAJPNHKAZFRW-UHFFFAOYSA-N 1 2 220.222 2.917 20 0 BFADLO CC(=O)c1ccc(C(C)=CC=C[NH3+])cc1 ZINC001239630662 980818380 /nfs/dbraw/zinc/81/83/80/980818380.db2.gz IOLQAJKBIXGNIZ-LQIBPGRFSA-N 1 2 201.269 2.765 20 0 BFADLO CC(=O)c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001239629244 980818440 /nfs/dbraw/zinc/81/84/40/980818440.db2.gz BBZZGJVGOBBQPF-UHFFFAOYSA-N 1 2 212.252 2.533 20 0 BFADLO Nc1cc(-c2ccoc2)[nH+]cc1C(F)(F)F ZINC001239687050 980844135 /nfs/dbraw/zinc/84/41/35/980844135.db2.gz SVRUVGIEWLOHFG-UHFFFAOYSA-N 1 2 228.173 2.943 20 0 BFADLO CC/C=C/NC(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190105959 980847770 /nfs/dbraw/zinc/84/77/70/980847770.db2.gz BQSUGRPKBCLHOW-FPYGCLRLSA-N 1 2 241.294 2.526 20 0 BFADLO Cc1cc(Cc2cc(C3CC3)c[nH+]c2C)n(C)n1 ZINC001250419419 980988134 /nfs/dbraw/zinc/98/81/34/980988134.db2.gz INGUHBDRTWADSB-UHFFFAOYSA-N 1 2 241.338 2.900 20 0 BFADLO COC(=[NH2+])c1cccc(-c2cccnc2OC)c1 ZINC001239858669 981000948 /nfs/dbraw/zinc/00/09/48/981000948.db2.gz XFXYFGPFZHVWGF-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO Cc1cccc(Cc2c[nH+]c(C)cc2C)n1 ZINC001250425991 981039086 /nfs/dbraw/zinc/03/90/86/981039086.db2.gz YDFYVOZGYLGORV-UHFFFAOYSA-N 1 2 212.296 2.993 20 0 BFADLO Cc1ccc(-c2ccc3cncnc3c2)[nH+]c1N ZINC001239978989 981084656 /nfs/dbraw/zinc/08/46/56/981084656.db2.gz FAIBHKRGVODQIF-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1[nH+]cc(C2CC2)cc1Cc1ccnn1C ZINC001250436381 981088500 /nfs/dbraw/zinc/08/85/00/981088500.db2.gz PAFVGZNQXBMEGU-UHFFFAOYSA-N 1 2 227.311 2.592 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cccc(C(=O)NC(C)C)c1 ZINC001240082455 981111891 /nfs/dbraw/zinc/11/18/91/981111891.db2.gz VUPSRXQOXCFIAE-BGNLXQKFSA-N 1 2 244.338 2.701 20 0 BFADLO Cc1nn(C)c(C)c1-c1ccc2[nH+]ccn2c1C ZINC001240146646 981146603 /nfs/dbraw/zinc/14/66/03/981146603.db2.gz LFQFTGZODVOGDZ-UHFFFAOYSA-N 1 2 240.310 2.660 20 0 BFADLO Cc1cc2c(ncnc2-c2ccc3[nH+]ccn3c2)[nH]1 ZINC001240214243 981160636 /nfs/dbraw/zinc/16/06/36/981160636.db2.gz MHPFUXXXGCTALH-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cc2ccnc(-c3ccc4[nH+]ccn4c3)c2[nH]1 ZINC001240214376 981160699 /nfs/dbraw/zinc/16/06/99/981160699.db2.gz OYVKJSUPVVTMAP-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(-c2ccc3[nH+]ccn3c2)cc(F)n1 ZINC001240218018 981166557 /nfs/dbraw/zinc/16/65/57/981166557.db2.gz WHSSVMDAQSRKMP-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CCOc1cncc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218144 981166714 /nfs/dbraw/zinc/16/67/14/981166714.db2.gz COHHKSFAWZJURP-UHFFFAOYSA-N 1 2 239.278 2.795 20 0 BFADLO COc1cc(-c2ccc3[nH+]ccn3c2)c(F)cn1 ZINC001240218246 981167563 /nfs/dbraw/zinc/16/75/63/981167563.db2.gz HTAMWKGFAMJHSO-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cn2cc(-c3cnc4ncccc4c3)ccc2[nH+]1 ZINC001240218275 981169568 /nfs/dbraw/zinc/16/95/68/981169568.db2.gz JCELCTGKQUNHEX-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO CSc1cnc(-c2ccc3[nH+]ccn3c2)cn1 ZINC001240218697 981169854 /nfs/dbraw/zinc/16/98/54/981169854.db2.gz UJYVQIBRDCGLQU-UHFFFAOYSA-N 1 2 242.307 2.513 20 0 BFADLO Fc1ccncc1-c1ccc2[nH+]ccn2c1 ZINC001240219867 981170725 /nfs/dbraw/zinc/17/07/25/981170725.db2.gz YDASRMWSEKXYDS-UHFFFAOYSA-N 1 2 213.215 2.535 20 0 BFADLO CCc1ccnc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218602 981171301 /nfs/dbraw/zinc/17/13/01/981171301.db2.gz SXTJYRUWCKINQY-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO COc1ccnc(F)c1-c1ccc2[nH+]ccn2c1 ZINC001240220989 981172619 /nfs/dbraw/zinc/17/26/19/981172619.db2.gz PJWULTNWRUKUGN-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cc2c(cncc2-c2ccc3[nH+]ccn3c2)[nH]1 ZINC001240219912 981174091 /nfs/dbraw/zinc/17/40/91/981174091.db2.gz ZURHNULCPGVNAL-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO CCC[C@H](CC)C(=O)OCc1c[nH+]cn1CC ZINC001347971543 981232693 /nfs/dbraw/zinc/23/26/93/981232693.db2.gz JDXGKECIHGEIMS-NSHDSACASA-N 1 2 238.331 2.773 20 0 BFADLO C/C(=C\C=C\[NH3+])c1ccc(C(F)(F)F)nc1 ZINC001240268393 981235678 /nfs/dbraw/zinc/23/56/78/981235678.db2.gz DXDHMZPFHKLXHG-YALUOGEHSA-N 1 2 228.217 2.976 20 0 BFADLO COC(=[NH2+])c1cccc(-c2ccnc(OC)c2)c1 ZINC001240259921 981236380 /nfs/dbraw/zinc/23/63/80/981236380.db2.gz MZMGFOQMFJCAKY-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO CCN(C)C(=O)c1ccc(/C(C)=C/C=C/[NH3+])cc1 ZINC001240284575 981236453 /nfs/dbraw/zinc/23/64/53/981236453.db2.gz YOPFWYMKWWIPPU-YDWXAUTNSA-N 1 2 244.338 2.654 20 0 BFADLO CCc1ccc(N2CC[C@@H]([C@H]3CCOC3)C2)[nH+]c1 ZINC001348052522 981264148 /nfs/dbraw/zinc/26/41/48/981264148.db2.gz QCFDYHUALGDJRK-KGLIPLIRSA-N 1 2 246.354 2.507 20 0 BFADLO Cn1ncc2ccc(-c3cccn4cc[nH+]c34)cc21 ZINC001240306826 981274407 /nfs/dbraw/zinc/27/44/07/981274407.db2.gz HBRDBTALOWFWAB-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1ncc2ccc(-c3cccc4[nH+]ccn43)cc21 ZINC001240308261 981275948 /nfs/dbraw/zinc/27/59/48/981275948.db2.gz MNOXIDBGCDARDU-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO Cn1c[nH+]cc1-c1ccnc(C(F)(F)F)c1 ZINC001240338601 981282582 /nfs/dbraw/zinc/28/25/82/981282582.db2.gz LCECYTBSRJVUJD-UHFFFAOYSA-N 1 2 227.189 2.501 20 0 BFADLO Cc1nn(C)c2ccc(-c3cc[nH+]c(N)c3)cc12 ZINC001240458799 981392252 /nfs/dbraw/zinc/39/22/52/981392252.db2.gz NEGANJVWPGEZGF-UHFFFAOYSA-N 1 2 238.294 2.526 20 0 BFADLO Cc1cc2cc(-c3ccc(C)c(N)[nH+]3)cnc2[nH]1 ZINC001240475314 981409433 /nfs/dbraw/zinc/40/94/33/981409433.db2.gz MTRWNNWMOKIAEK-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO CCOc1ncccc1-c1c[nH+]c(C)cc1OC ZINC001240494787 981415057 /nfs/dbraw/zinc/41/50/57/981415057.db2.gz WSKWHSJWJQAFQB-UHFFFAOYSA-N 1 2 244.294 2.859 20 0 BFADLO CCc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240496556 981417945 /nfs/dbraw/zinc/41/79/45/981417945.db2.gz NLNKMUJHZBGTBD-UHFFFAOYSA-N 1 2 223.279 2.959 20 0 BFADLO c1cc2nc(-c3ccn4cc[nH+]c4c3)ccc2[nH]1 ZINC001240497281 981418095 /nfs/dbraw/zinc/41/80/95/981418095.db2.gz UTYSDQCCFGWQLF-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO COCc1ccc(-c2ccn3cc[nH+]c3c2)nc1 ZINC001240503911 981430060 /nfs/dbraw/zinc/43/00/60/981430060.db2.gz IEUAFNBZLZQERG-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO COc1c(F)nccc1-c1ccn2cc[nH+]c2c1 ZINC001240503625 981430767 /nfs/dbraw/zinc/43/07/67/981430767.db2.gz POFVKOQIBFHMLR-UHFFFAOYSA-N 1 2 243.241 2.544 20 0 BFADLO c1cn2ccc(-c3cnc4ocnc4c3)cc2[nH+]1 ZINC001240508913 981433516 /nfs/dbraw/zinc/43/35/16/981433516.db2.gz OZXYMCREBXUYNB-UHFFFAOYSA-N 1 2 236.234 2.538 20 0 BFADLO c1cc2c(cncc2-c2ccn3cc[nH+]c3c2)[nH]1 ZINC001240510201 981433578 /nfs/dbraw/zinc/43/35/78/981433578.db2.gz FIIPXFKWYWDDRR-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cc(-c2ccn3ccnc3c2)c2[nH+]ccn2c1 ZINC001240508689 981434572 /nfs/dbraw/zinc/43/45/72/981434572.db2.gz IXPLCRKEVSHVII-UHFFFAOYSA-N 1 2 248.289 2.957 20 0 BFADLO Cc1c2nc[nH]c2ncc1-c1ccn2cc[nH+]c2c1 ZINC001240510293 981434688 /nfs/dbraw/zinc/43/46/88/981434688.db2.gz HAEYMHKIEPSRMN-UHFFFAOYSA-N 1 2 249.277 2.581 20 0 BFADLO c1cn2ccc(-c3cccc4nccnc43)cc2[nH+]1 ZINC001240508912 981434900 /nfs/dbraw/zinc/43/49/00/981434900.db2.gz OZWPNPFQDNXZKV-UHFFFAOYSA-N 1 2 246.273 2.945 20 0 BFADLO COc1cccc(N)c1-c1ccn2cc[nH+]c2c1 ZINC001240511522 981436175 /nfs/dbraw/zinc/43/61/75/981436175.db2.gz GAENIONEFXCZQO-UHFFFAOYSA-N 1 2 239.278 2.592 20 0 BFADLO Cc1c(N)cccc1-c1ccn2cc[nH+]c2c1 ZINC001240512276 981439969 /nfs/dbraw/zinc/43/99/69/981439969.db2.gz SSUUMAUUBKPUDC-UHFFFAOYSA-N 1 2 223.279 2.892 20 0 BFADLO Nc1cc(-c2cccc(-c3cc[nH]n3)c2)cc[nH+]1 ZINC001240561536 981480924 /nfs/dbraw/zinc/48/09/24/981480924.db2.gz FNRLHHZIJFDOID-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO Cn1cccc1[C@@H]1COCC[N@@H+]1CC1=CCCC1 ZINC001349100324 981506434 /nfs/dbraw/zinc/50/64/34/981506434.db2.gz WPRCJSIXHSHJSR-HNNXBMFYSA-N 1 2 246.354 2.509 20 0 BFADLO Cn1cccc1[C@@H]1COCC[N@H+]1CC1=CCCC1 ZINC001349100324 981506440 /nfs/dbraw/zinc/50/64/40/981506440.db2.gz WPRCJSIXHSHJSR-HNNXBMFYSA-N 1 2 246.354 2.509 20 0 BFADLO Cc1ccc(-c2ccc(O)cc2C)[nH+]c1N ZINC001240642207 981536574 /nfs/dbraw/zinc/53/65/74/981536574.db2.gz JPQKULZBPLQXQH-UHFFFAOYSA-N 1 2 214.268 2.653 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)cc(F)c1F ZINC001240662001 981570280 /nfs/dbraw/zinc/57/02/80/981570280.db2.gz VILGKQYWVXEYQT-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO COc1cc(-c2cc[nH+]c(N)c2)cc(F)c1F ZINC001240662059 981571059 /nfs/dbraw/zinc/57/10/59/981571059.db2.gz YEUAQAWBMSPFPU-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO CC(=O)C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001349647323 981609942 /nfs/dbraw/zinc/60/99/42/981609942.db2.gz UCIPPOMXTMGUSS-VIFPVBQESA-N 1 2 240.372 2.680 20 0 BFADLO COCOc1cc(C)ccc1-c1ccc[nH+]c1N ZINC001240747832 981803568 /nfs/dbraw/zinc/80/35/68/981803568.db2.gz QWSWSYPZTFEGMQ-UHFFFAOYSA-N 1 2 244.294 2.622 20 0 BFADLO COc1cc2[nH+]ccn2cc1-c1cncc(C)c1 ZINC001240805360 981857574 /nfs/dbraw/zinc/85/75/74/981857574.db2.gz ZDHPSRVKCFKCFH-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CC(C)Oc1ccc(-c2cc[nH+]c(N)c2)cn1 ZINC001240811441 981864232 /nfs/dbraw/zinc/86/42/32/981864232.db2.gz XLODLCKRDDIDNX-UHFFFAOYSA-N 1 2 229.283 2.513 20 0 BFADLO Cn1ccc2cc(-c3cccc4[nH+]ccn43)cnc21 ZINC001240835901 981878157 /nfs/dbraw/zinc/87/81/57/981878157.db2.gz PZNZIGRGTFVNED-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CC[C@H](C)COC(=O)Nc1cccc2[nH+]ccn21 ZINC001194756433 981885305 /nfs/dbraw/zinc/88/53/05/981885305.db2.gz IQCRYOUEQVMKOD-JTQLQIEISA-N 1 2 247.298 2.929 20 0 BFADLO CC[C@H](C)COC(=O)Nc1ccn2cc[nH+]c2c1 ZINC001194773300 981897752 /nfs/dbraw/zinc/89/77/52/981897752.db2.gz VMGKGYZHUBXBAO-JTQLQIEISA-N 1 2 247.298 2.929 20 0 BFADLO CCn1c[nH+]cc1COC(=O)[C@@H]1CCCC12CC2 ZINC001350343041 981934436 /nfs/dbraw/zinc/93/44/36/981934436.db2.gz CNKHBNNPIJRXMW-LBPRGKRZSA-N 1 2 248.326 2.527 20 0 BFADLO c1cn2c(cccc2-c2ccc3c(c2)OCO3)[nH+]1 ZINC001240901115 981953040 /nfs/dbraw/zinc/95/30/40/981953040.db2.gz NUAIZIGAKHZHOA-UHFFFAOYSA-N 1 2 238.246 2.730 20 0 BFADLO Cc1c[nH]c2ncc(-c3ccc(C)c(N)[nH+]3)cc12 ZINC001240949096 982016791 /nfs/dbraw/zinc/01/67/91/982016791.db2.gz GNLULZQODQWAON-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO COc1ccc(-c2ccc[nH+]c2N)c(F)c1F ZINC001241041771 982140760 /nfs/dbraw/zinc/14/07/60/982140760.db2.gz GIAMKGJFXDLXIC-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO Oc1cc(F)c(-c2[nH+]ccc3c2CCN3)c(F)c1 ZINC001241118138 982237301 /nfs/dbraw/zinc/23/73/01/982237301.db2.gz JETNQISGVBRMDH-UHFFFAOYSA-N 1 2 248.232 2.700 20 0 BFADLO OCc1ccc(F)c(-c2ccc3[nH+]ccn3c2)c1 ZINC001241152107 982289718 /nfs/dbraw/zinc/28/97/18/982289718.db2.gz JQJQPTPNQFSMJO-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO CCOC(=[NH2+])c1ccc(-c2ccnc(N)c2)cc1 ZINC001241169847 982311141 /nfs/dbraw/zinc/31/11/41/982311141.db2.gz FERZKYGZEVPIKM-UHFFFAOYSA-N 1 2 241.294 2.693 20 0 BFADLO COc1cc2[nH]ccc2c(-c2cc[nH+]c(N)c2)c1 ZINC001241170065 982314077 /nfs/dbraw/zinc/31/40/77/982314077.db2.gz CPWCEJZVZIPNKG-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1cc(-c2ccc3c(c2)OCCC3)cc[nH+]1 ZINC001241170091 982317538 /nfs/dbraw/zinc/31/75/38/982317538.db2.gz IQVALZRHIWLMSI-UHFFFAOYSA-N 1 2 226.279 2.656 20 0 BFADLO Nc1cc(-c2cccc(-c3ncc[nH]3)c2)cc[nH+]1 ZINC001241171208 982323045 /nfs/dbraw/zinc/32/30/45/982323045.db2.gz YLDXAEKKNCNKCX-UHFFFAOYSA-N 1 2 236.278 2.721 20 0 BFADLO COc1c(C)cc(C)cc1-c1cc[nH+]c(N)c1 ZINC001241176290 982328217 /nfs/dbraw/zinc/32/82/17/982328217.db2.gz YPZVIKDELNBPFZ-UHFFFAOYSA-N 1 2 228.295 2.956 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1 ZINC001203302272 982349298 /nfs/dbraw/zinc/34/92/98/982349298.db2.gz PVOXMFIEMBRZQH-RYUDHWBXSA-N 1 2 211.255 2.569 20 0 BFADLO FC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1 ZINC001203302272 982349303 /nfs/dbraw/zinc/34/93/03/982349303.db2.gz PVOXMFIEMBRZQH-RYUDHWBXSA-N 1 2 211.255 2.569 20 0 BFADLO CN(C)c1cc(-c2ccc3c(c2)OCC3)cc[nH+]1 ZINC001241220241 982359569 /nfs/dbraw/zinc/35/95/69/982359569.db2.gz PSZCNXKPWNURCE-UHFFFAOYSA-N 1 2 240.306 2.750 20 0 BFADLO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)cnc1F ZINC001241244241 982389407 /nfs/dbraw/zinc/38/94/07/982389407.db2.gz YUPDPERWGSDOBI-UHFFFAOYSA-N 1 2 249.264 2.796 20 0 BFADLO CC(=O)c1ccc(-c2ccc[nH+]c2N)cc1F ZINC001241258628 982397128 /nfs/dbraw/zinc/39/71/28/982397128.db2.gz HWIWSMYAMCXWJW-UHFFFAOYSA-N 1 2 230.242 2.673 20 0 BFADLO CC(=O)c1ccc(-c2ccc(N)[nH+]c2)cc1F ZINC001241259186 982397769 /nfs/dbraw/zinc/39/77/69/982397769.db2.gz IOSAZOXEIIEIIL-UHFFFAOYSA-N 1 2 230.242 2.673 20 0 BFADLO Oc1ccc(F)c(-c2[nH+]ccc3c2CCN3)c1F ZINC001241290782 982429871 /nfs/dbraw/zinc/42/98/71/982429871.db2.gz DNIJIHDRLOIONG-UHFFFAOYSA-N 1 2 248.232 2.700 20 0 BFADLO Cc1cc(-c2c(F)ccc(O)c2F)c[nH+]c1N ZINC001241292794 982435482 /nfs/dbraw/zinc/43/54/82/982435482.db2.gz HTLKODDCMKRQKK-UHFFFAOYSA-N 1 2 236.221 2.623 20 0 BFADLO CSc1cccc(-c2c[nH+]cn2C)c1 ZINC001241314817 982468025 /nfs/dbraw/zinc/46/80/25/982468025.db2.gz UVTZVAXILDONSZ-UHFFFAOYSA-N 1 2 204.298 2.809 20 0 BFADLO Cc1cc(-c2cnc3cccnc3c2)c[nH+]c1N ZINC001241384171 982545736 /nfs/dbraw/zinc/54/57/36/982545736.db2.gz MXUUSPDJBAFSHZ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CNc1cc(-c2cccc3c2cnn3C)cc[nH+]1 ZINC001241452174 982605645 /nfs/dbraw/zinc/60/56/45/982605645.db2.gz ZWPUABMVFDVYJZ-UHFFFAOYSA-N 1 2 238.294 2.677 20 0 BFADLO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c1 ZINC001203888737 982638783 /nfs/dbraw/zinc/63/87/83/982638783.db2.gz ZRYYLIDTJYYYDC-STQMWFEESA-N 1 2 225.282 2.877 20 0 BFADLO Cc1cc(-c2cncs2)cn2cc[nH+]c12 ZINC001241499753 982659030 /nfs/dbraw/zinc/65/90/30/982659030.db2.gz HWRSQOJINWLUFP-UHFFFAOYSA-N 1 2 215.281 2.766 20 0 BFADLO COC(=O)[C@H]([NH3+])c1ccc(/C=C/C(C)(C)C)cc1 ZINC001241565155 982804776 /nfs/dbraw/zinc/80/47/76/982804776.db2.gz ZZONALYHKXOAJQ-WTNCMQEWSA-N 1 2 247.338 2.919 20 0 BFADLO Cn1cc2c(cccc2-c2ccc3[nH+]ccn3c2)n1 ZINC001241582070 982828805 /nfs/dbraw/zinc/82/88/05/982828805.db2.gz NBYNCJKLDOXZRD-UHFFFAOYSA-N 1 2 248.289 2.888 20 0 BFADLO CC(=CC=C[NH3+])c1ccc2c(C)n[nH]c2c1 ZINC001241640171 982876439 /nfs/dbraw/zinc/87/64/39/982876439.db2.gz FUSMPMRXSAOROR-DDEWIXKASA-N 1 2 213.284 2.747 20 0 BFADLO COc1cc(F)c(/C(C)=C/C=C/[NH3+])c(F)c1 ZINC001241693595 982954930 /nfs/dbraw/zinc/95/49/30/982954930.db2.gz FFFCGXHMJMJURQ-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO Cc1[nH+]c(N)ccc1-c1ccc2nc[nH]c2c1 ZINC001241703566 982961277 /nfs/dbraw/zinc/96/12/77/982961277.db2.gz PVUVUANHFFAYLC-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc(-c2ccc(F)cn2)cn2cc[nH+]c12 ZINC001241808641 983068151 /nfs/dbraw/zinc/06/81/51/983068151.db2.gz RJLILOLIADCSQP-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)c(N)c(C)c1 ZINC001241885240 983097050 /nfs/dbraw/zinc/09/70/50/983097050.db2.gz MBMGNMGCSWOVQS-REZHQCRGSA-N 1 2 202.301 2.761 20 0 BFADLO Cc1cc2[nH+]ccn2cc1-c1cnn(C2CC2)c1 ZINC001241907986 983121787 /nfs/dbraw/zinc/12/17/87/983121787.db2.gz UXSOCQAGWZWBOZ-UHFFFAOYSA-N 1 2 238.294 2.841 20 0 BFADLO Nc1ccc(Nc2c(F)ccc(F)c2F)c[nH+]1 ZINC001201284299 983158479 /nfs/dbraw/zinc/15/84/79/983158479.db2.gz QKUGPQXAHPSEFN-UHFFFAOYSA-N 1 2 239.200 2.825 20 0 BFADLO COc1cc(C)cc(Nc2ccc(N)[nH+]c2)c1 ZINC001201285561 983161978 /nfs/dbraw/zinc/16/19/78/983161978.db2.gz LKGOIUULHBLNLA-UHFFFAOYSA-N 1 2 229.283 2.724 20 0 BFADLO CC(C)(O)c1ccccc1Nc1ccc(N)[nH+]c1 ZINC001201287104 983167334 /nfs/dbraw/zinc/16/73/34/983167334.db2.gz SZQJVNRHIISZRL-UHFFFAOYSA-N 1 2 243.310 2.635 20 0 BFADLO CCc1ccc(N(C)CC(C)(C)OC)[nH+]c1 ZINC001354133047 983168783 /nfs/dbraw/zinc/16/87/83/983168783.db2.gz WEHIEAWDQTVGCR-UHFFFAOYSA-N 1 2 222.332 2.505 20 0 BFADLO Cc1c(Cl)ccc(N)c1Nc1ccc(N)[nH+]c1 ZINC001201292088 983170246 /nfs/dbraw/zinc/17/02/46/983170246.db2.gz IZSBGCLKHQCSCS-UHFFFAOYSA-N 1 2 248.717 2.951 20 0 BFADLO Nc1ccc(Nc2nccc3ccccc32)c[nH+]1 ZINC001201271783 983172230 /nfs/dbraw/zinc/17/22/30/983172230.db2.gz BYJPGBXMTUBDNB-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Cc1ncoc1C[NH2+]Cc1cscc1Cl ZINC001354137812 983172392 /nfs/dbraw/zinc/17/23/92/983172392.db2.gz JNMSVQOSFNNJRJ-UHFFFAOYSA-N 1 2 242.731 2.988 20 0 BFADLO CCc1ccc(Nc2ccc(N)[nH+]c2)c(O)c1 ZINC001201292969 983174159 /nfs/dbraw/zinc/17/41/59/983174159.db2.gz VFBDGIQZTWKJEZ-UHFFFAOYSA-N 1 2 229.283 2.675 20 0 BFADLO Nc1ccc(Nc2cncc3ccccc32)c[nH+]1 ZINC001201273045 983176572 /nfs/dbraw/zinc/17/65/72/983176572.db2.gz ZTUNGNAZMVEVCG-UHFFFAOYSA-N 1 2 236.278 2.956 20 0 BFADLO Nc1ccc(Nc2cccnc2C2CC2)c[nH+]1 ZINC001201279149 983178866 /nfs/dbraw/zinc/17/88/66/983178866.db2.gz PUXOJSQSYSGKHN-UHFFFAOYSA-N 1 2 226.283 2.680 20 0 BFADLO COc1cc[nH+]cc1NC1=CCSCC1 ZINC001201331897 983180713 /nfs/dbraw/zinc/18/07/13/983180713.db2.gz JDFMZGUHBKZAMD-UHFFFAOYSA-N 1 2 222.313 2.523 20 0 BFADLO Cc1cc(Nc2ccc(N)[nH+]c2)cc(F)c1F ZINC001201300456 983180788 /nfs/dbraw/zinc/18/07/88/983180788.db2.gz RVCGYCBNOWRBDS-UHFFFAOYSA-N 1 2 235.237 2.994 20 0 BFADLO c1cn2c(cccc2NC2=CCSCC2)[nH+]1 ZINC001201326451 983183246 /nfs/dbraw/zinc/18/32/46/983183246.db2.gz IRUBFYDPBXLQJM-UHFFFAOYSA-N 1 2 231.324 2.767 20 0 BFADLO Cc1cc(F)cc(N2CCS[C@@H](C)CC2)[nH+]1 ZINC001354177809 983184056 /nfs/dbraw/zinc/18/40/56/983184056.db2.gz KCJYXRMUMZVHKC-JTQLQIEISA-N 1 2 240.347 2.861 20 0 BFADLO CCc1ccc(N2C[C@@H](C)O[C@@H](C3CC3)C2)[nH+]c1 ZINC001354186229 983188912 /nfs/dbraw/zinc/18/89/12/983188912.db2.gz WMQSYKGHXUPGML-BXUZGUMPSA-N 1 2 246.354 2.648 20 0 BFADLO CCc1[nH]nc(NCc2cc(C)[nH+]c(C)c2)c1C ZINC001201373070 983189610 /nfs/dbraw/zinc/18/96/10/983189610.db2.gz QJECHULIESAOHC-UHFFFAOYSA-N 1 2 244.342 2.904 20 0 BFADLO CC[C@H](C(=O)OC)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001242017703 983217752 /nfs/dbraw/zinc/21/77/52/983217752.db2.gz TVAHOKPXITUEEQ-LBPRGKRZSA-N 1 2 244.294 2.743 20 0 BFADLO c1c[nH+]c(-c2ccc(C3CCOCC3)cc2)[nH]1 ZINC001242019100 983223437 /nfs/dbraw/zinc/22/34/37/983223437.db2.gz ZJDYPSLUEQDXPQ-UHFFFAOYSA-N 1 2 228.295 2.971 20 0 BFADLO c1nc2c(s1)C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201430134 983229615 /nfs/dbraw/zinc/22/96/15/983229615.db2.gz ZFSZBQGLRGBTRO-JTQLQIEISA-N 1 2 220.341 2.815 20 0 BFADLO c1nc2c(s1)C[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201430134 983229618 /nfs/dbraw/zinc/22/96/18/983229618.db2.gz ZFSZBQGLRGBTRO-JTQLQIEISA-N 1 2 220.341 2.815 20 0 BFADLO COc1ccncc1-c1cccc2[nH+]c(C)cn21 ZINC001242056301 983263666 /nfs/dbraw/zinc/26/36/66/983263666.db2.gz CJMAIMQTJLGLKK-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO CNc1ccc(-c2cccc(C(=[NH2+])OC)c2)cn1 ZINC001242071918 983308296 /nfs/dbraw/zinc/30/82/96/983308296.db2.gz VHMPSXPKUMXXKL-UHFFFAOYSA-N 1 2 241.294 2.762 20 0 BFADLO Cn1c[nH+]cc1-c1cccc(C2=CCOCC2)c1 ZINC001242077447 983326099 /nfs/dbraw/zinc/32/60/99/983326099.db2.gz RHERNUGACIZPPG-UHFFFAOYSA-N 1 2 240.306 2.891 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1nccc2ncsc21 ZINC001242078547 983327081 /nfs/dbraw/zinc/32/70/81/983327081.db2.gz LCTUGKBJRHXWTI-UHFFFAOYSA-N 1 2 242.307 2.644 20 0 BFADLO Cc1cc(N)[nH+]cc1-c1ccc2nc[nH]c2c1C ZINC001242085320 983334609 /nfs/dbraw/zinc/33/46/09/983334609.db2.gz RBSFODSDHJKEDW-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2nc3[nH]ccc3c[nH+]2)ccc1O ZINC001242099001 983342339 /nfs/dbraw/zinc/34/23/39/983342339.db2.gz QQBXQRAPRCKSQD-UHFFFAOYSA-N 1 2 225.251 2.591 20 0 BFADLO Cc1noc(C)c1-c1cn2cc[nH+]c2cc1C ZINC001242106030 983350655 /nfs/dbraw/zinc/35/06/55/983350655.db2.gz BOZNSGNXDZQHIZ-UHFFFAOYSA-N 1 2 227.267 2.915 20 0 BFADLO CNc1cc(-c2ccc(OC)c(O)c2)cc[nH+]1 ZINC001242175427 983393093 /nfs/dbraw/zinc/39/30/93/983393093.db2.gz KNATZBCDEALJHB-UHFFFAOYSA-N 1 2 230.267 2.505 20 0 BFADLO CC[N@H+](C)c1ccc(Nc2cncc(O)c2)cc1 ZINC001201648794 983401864 /nfs/dbraw/zinc/40/18/64/983401864.db2.gz MZMBRDGUQQGGCF-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO CC[N@@H+](C)c1ccc(Nc2cncc(O)c2)cc1 ZINC001201648794 983401870 /nfs/dbraw/zinc/40/18/70/983401870.db2.gz MZMBRDGUQQGGCF-UHFFFAOYSA-N 1 2 243.310 2.987 20 0 BFADLO Oc1cc(F)ccc1-c1ccn2cc[nH+]c2c1 ZINC001242217051 983416134 /nfs/dbraw/zinc/41/61/34/983416134.db2.gz JUBGZEPVMDTEAT-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Cc1[nH+]cc(NC(=O)Nc2ccccc2F)n1C ZINC001201991581 983536247 /nfs/dbraw/zinc/53/62/47/983536247.db2.gz BWNYPPGXEYVLTG-UHFFFAOYSA-N 1 2 248.261 2.512 20 0 BFADLO COc1cc(C)[nH+]cc1-c1cccc(F)c1O ZINC001242350469 983617302 /nfs/dbraw/zinc/61/73/02/983617302.db2.gz GUELBPCXQXBDKK-UHFFFAOYSA-N 1 2 233.242 2.910 20 0 BFADLO COc1ncc(-c2cccc3[nH+]ccn32)cc1C ZINC001242434626 983737091 /nfs/dbraw/zinc/73/70/91/983737091.db2.gz ZGSUSPYFFJOLFY-UHFFFAOYSA-N 1 2 239.278 2.713 20 0 BFADLO C[C@@H]1CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000379822236 983757327 /nfs/dbraw/zinc/75/73/27/983757327.db2.gz TUTNAWMGJNDQKJ-YPMHNXCESA-N 1 2 231.343 2.892 20 0 BFADLO CCc1ncccc1-c1c[nH+]c(N)c(C)c1 ZINC001242522465 983843435 /nfs/dbraw/zinc/84/34/35/983843435.db2.gz MXACUKPKRXQPJU-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO OCc1ccc(-c2ccn3cc[nH+]c3c2)cc1F ZINC001242531671 983854948 /nfs/dbraw/zinc/85/49/48/983854948.db2.gz RNJWVLWHVXEPOR-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO COCOc1ccc(/C(C)=C/C=C/[NH3+])c(C)c1 ZINC001242538314 983856105 /nfs/dbraw/zinc/85/61/05/983856105.db2.gz UWZVDJBRHGGKQT-JNKBEKGTSA-N 1 2 233.311 2.853 20 0 BFADLO C[C@@H](O)c1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC001242551496 983871818 /nfs/dbraw/zinc/87/18/18/983871818.db2.gz YLBDQJBOBPXESS-LLVKDONJSA-N 1 2 242.322 2.868 20 0 BFADLO CNc1cc(-c2cccc([C@H](C)O)c2)cc[nH+]1 ZINC001242554828 983875362 /nfs/dbraw/zinc/87/53/62/983875362.db2.gz QTTATXXPXIHLMG-JTQLQIEISA-N 1 2 228.295 2.844 20 0 BFADLO COc1cc(F)c(F)cc1/C(C)=C/C=C/[NH3+] ZINC001242577158 983890821 /nfs/dbraw/zinc/89/08/21/983890821.db2.gz MRPRNBSVFCKSFR-MSLMYCKWSA-N 1 2 225.238 2.849 20 0 BFADLO Fc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC001137129002 983962403 /nfs/dbraw/zinc/96/24/03/983962403.db2.gz JUXQRVOXJLLIJZ-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO Fc1ccccc1[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC001137129002 983962412 /nfs/dbraw/zinc/96/24/12/983962412.db2.gz JUXQRVOXJLLIJZ-CQSZACIVSA-N 1 2 245.301 2.886 20 0 BFADLO CC(C)(O)c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001242627438 984008034 /nfs/dbraw/zinc/00/80/34/984008034.db2.gz NKBVRZWNVQXVCJ-UHFFFAOYSA-N 1 2 228.295 2.558 20 0 BFADLO Cc1ccc(-c2ccnc(OC3CC3)c2)[nH+]c1N ZINC001242722825 984076114 /nfs/dbraw/zinc/07/61/14/984076114.db2.gz KPVMQHUTSWTUEU-UHFFFAOYSA-N 1 2 241.294 2.575 20 0 BFADLO c1cn2c(cccc2-c2c[nH]c3ncccc23)[nH+]1 ZINC001242861928 984203612 /nfs/dbraw/zinc/20/36/12/984203612.db2.gz AQBSMNRIAIFCHT-UHFFFAOYSA-N 1 2 234.262 2.878 20 0 BFADLO Cc1cnc(F)cc1Nc1ccc(N(C)C)[nH+]c1 ZINC001212845996 984280594 /nfs/dbraw/zinc/28/05/94/984280594.db2.gz WDKKHBVQBGLDDL-UHFFFAOYSA-N 1 2 246.289 2.734 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2ccncn2)c1 ZINC001242919167 984294358 /nfs/dbraw/zinc/29/43/58/984294358.db2.gz UPWOGMJRZPVYOW-UHFFFAOYSA-N 1 2 227.267 2.505 20 0 BFADLO COCc1cncc(-c2cccc3[nH+]ccn32)c1 ZINC001242955801 984317915 /nfs/dbraw/zinc/31/79/15/984317915.db2.gz SYPYLDLVDDELQP-UHFFFAOYSA-N 1 2 239.278 2.543 20 0 BFADLO Oc1cc(-c2ccn3cc[nH+]c3c2)ccc1F ZINC001243050266 984403088 /nfs/dbraw/zinc/40/30/88/984403088.db2.gz UZHQRTSRYQKPHD-UHFFFAOYSA-N 1 2 228.226 2.846 20 0 BFADLO Cc1cc(F)cc(C)c1-c1c[nH+]cn1C ZINC001243067164 984477277 /nfs/dbraw/zinc/47/72/77/984477277.db2.gz QMENFHLDYZIKMJ-UHFFFAOYSA-N 1 2 204.248 2.843 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(-c2ncco2)cc1 ZINC001243066924 984479621 /nfs/dbraw/zinc/47/96/21/984479621.db2.gz DFNHIBIMTUFUPI-UHFFFAOYSA-N 1 2 225.251 2.742 20 0 BFADLO Cc1cc2ncccc2c(-c2c[nH+]cn2C)c1 ZINC001243067373 984482444 /nfs/dbraw/zinc/48/24/44/984482444.db2.gz KRCLMCVROFXHDB-UHFFFAOYSA-N 1 2 223.279 2.944 20 0 BFADLO CCc1ccc(-c2c[nH+]cn2C)c(C)c1 ZINC001243067515 984483031 /nfs/dbraw/zinc/48/30/31/984483031.db2.gz WFLXQPKVFSMSBG-UHFFFAOYSA-N 1 2 200.285 2.958 20 0 BFADLO Cc1cc2ccc(-c3c[nH+]cn3C)cc2[nH]1 ZINC001243068411 984487708 /nfs/dbraw/zinc/48/77/08/984487708.db2.gz WFTHWHANMFAFOJ-UHFFFAOYSA-N 1 2 211.268 2.877 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OC(F)F)c(F)c1 ZINC001243068850 984489608 /nfs/dbraw/zinc/48/96/08/984489608.db2.gz IQKBTBVSTLWTGE-UHFFFAOYSA-N 1 2 242.200 2.828 20 0 BFADLO Cc1nc2ccc(-c3c[nH+]cn3C)cc2o1 ZINC001243068432 984489725 /nfs/dbraw/zinc/48/97/25/984489725.db2.gz WYXDNABKPLKKPF-UHFFFAOYSA-N 1 2 213.240 2.537 20 0 BFADLO CO/C=C/c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243069266 984490392 /nfs/dbraw/zinc/49/03/92/984490392.db2.gz DPKFMBIESUYNKD-BQYQJAHWSA-N 1 2 214.268 2.704 20 0 BFADLO Cn1c[nH+]cc1-c1cccc2[nH]cc(F)c21 ZINC001243070677 984494793 /nfs/dbraw/zinc/49/47/93/984494793.db2.gz JXYSHNJYRZBVSA-UHFFFAOYSA-N 1 2 215.231 2.708 20 0 BFADLO Cn1c[nH+]cc1-c1cccc([Si](C)(C)C)c1 ZINC001243071578 984496826 /nfs/dbraw/zinc/49/68/26/984496826.db2.gz WBCQMQJAAMTIKM-UHFFFAOYSA-N 1 2 230.387 2.632 20 0 BFADLO CC(C)Sc1ccc(-c2c[nH+]cn2C)cn1 ZINC001243071724 984498676 /nfs/dbraw/zinc/49/86/76/984498676.db2.gz ZBVUCTUTWPBPSA-UHFFFAOYSA-N 1 2 233.340 2.983 20 0 BFADLO C=COc1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072195 984503735 /nfs/dbraw/zinc/50/37/35/984503735.db2.gz LMLRRMUJUSUGJS-UHFFFAOYSA-N 1 2 200.241 2.609 20 0 BFADLO COC(=[NH2+])c1cccc(-c2ccncc2OC)c1 ZINC001243078005 984517594 /nfs/dbraw/zinc/51/75/94/984517594.db2.gz QYUOYEXJZXXQFO-UHFFFAOYSA-N 1 2 242.278 2.729 20 0 BFADLO COc1c(F)cc(-c2ccc[nH+]c2N)cc1F ZINC001243223520 984720393 /nfs/dbraw/zinc/72/03/93/984720393.db2.gz DJLJBTUJMBAWPL-UHFFFAOYSA-N 1 2 236.221 2.618 20 0 BFADLO CNc1cc(-c2ccc(C)c(O)c2)cc[nH+]1 ZINC001243230510 984769285 /nfs/dbraw/zinc/76/92/85/984769285.db2.gz FXMWBVLKRBIKQI-UHFFFAOYSA-N 1 2 214.268 2.804 20 0 BFADLO Cn1c[nH+]cc1-c1cc(Cl)cc2n[nH]cc21 ZINC001243314572 984825939 /nfs/dbraw/zinc/82/59/39/984825939.db2.gz FSHGRIXZDZHUMC-UHFFFAOYSA-N 1 2 232.674 2.617 20 0 BFADLO Nc1cc(-c2cccc3[nH+]ccn32)ccc1F ZINC001243455392 984970847 /nfs/dbraw/zinc/97/08/47/984970847.db2.gz LHSBNAFWXQQJIG-UHFFFAOYSA-N 1 2 227.242 2.723 20 0 BFADLO CCCC[C@@H](CC)[N@@H+]1CCOCC(F)(F)C1 ZINC001257419658 984984073 /nfs/dbraw/zinc/98/40/73/984984073.db2.gz YWZKUKDNJGTGEZ-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO CCCC[C@@H](CC)[N@H+]1CCOCC(F)(F)C1 ZINC001257419658 984984107 /nfs/dbraw/zinc/98/41/07/984984107.db2.gz YWZKUKDNJGTGEZ-LLVKDONJSA-N 1 2 235.318 2.923 20 0 BFADLO Cc1noc2cc(-c3ccc[nH+]c3N)ccc12 ZINC001243473321 985023298 /nfs/dbraw/zinc/02/32/98/985023298.db2.gz KNLGZMVRCQXBNP-UHFFFAOYSA-N 1 2 225.251 2.780 20 0 BFADLO COc1cc(-c2ccc[nH+]c2N)cc2[nH]ccc21 ZINC001243475500 985030935 /nfs/dbraw/zinc/03/09/35/985030935.db2.gz KCWREZCORZWXTE-UHFFFAOYSA-N 1 2 239.278 2.821 20 0 BFADLO Nc1[nH+]cccc1-c1cncc(C(F)F)c1 ZINC001243476556 985035727 /nfs/dbraw/zinc/03/57/27/985035727.db2.gz UBUSVKYKYJXBAL-UHFFFAOYSA-N 1 2 221.210 2.663 20 0 BFADLO Nc1[nH+]cccc1-c1ccnc(C2CC2)c1 ZINC001243477456 985036619 /nfs/dbraw/zinc/03/66/19/985036619.db2.gz PIQNVLVZRLBIEB-UHFFFAOYSA-N 1 2 211.268 2.603 20 0 BFADLO Cc1ccc(N(C)C)cc1-c1ccc[nH+]c1N ZINC001243477358 985038551 /nfs/dbraw/zinc/03/85/51/985038551.db2.gz LKTJRHFBQYOWAC-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO COc1cccc(C)c1-c1ccc[nH+]c1N ZINC001243477207 985039404 /nfs/dbraw/zinc/03/94/04/985039404.db2.gz MNTMUYRSIPTFLL-UHFFFAOYSA-N 1 2 214.268 2.648 20 0 BFADLO Nc1[nH+]cccc1-c1ccc2c(c1)NC(=S)C2 ZINC001243477894 985039628 /nfs/dbraw/zinc/03/96/28/985039628.db2.gz RDOQOLZCUNVYJD-UHFFFAOYSA-N 1 2 241.319 2.626 20 0 BFADLO Cc1ncc2ccc(-c3ccc[nH+]c3N)cc2n1 ZINC001243476791 985039727 /nfs/dbraw/zinc/03/97/27/985039727.db2.gz UTEPVSKSHILGDY-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO CNc1cccc(-c2ccc[nH+]c2N)c1C ZINC001243478552 985042513 /nfs/dbraw/zinc/04/25/13/985042513.db2.gz ZAXNNLXLOVIMBA-UHFFFAOYSA-N 1 2 213.284 2.681 20 0 BFADLO CN(C)c1ccc(F)cc1-c1ccc[nH+]c1N ZINC001243478462 985045962 /nfs/dbraw/zinc/04/59/62/985045962.db2.gz YENNCIWGZRZDTJ-UHFFFAOYSA-N 1 2 231.274 2.536 20 0 BFADLO CC[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001257449006 985046476 /nfs/dbraw/zinc/04/64/76/985046476.db2.gz YVEQOSVALZSMAR-NWDGAFQWSA-N 1 2 246.345 2.590 20 0 BFADLO CC[C@@H](C)CC(=O)NCc1c[nH]c(C(C)C)[nH+]1 ZINC001456343041 985133548 /nfs/dbraw/zinc/13/35/48/985133548.db2.gz IOFSEPIHCWRJFP-SNVBAGLBSA-N 1 2 237.347 2.586 20 0 BFADLO CC[C@@H](C)CC(=O)NCc1c[nH+]c(C(C)C)[nH]1 ZINC001456343041 985133557 /nfs/dbraw/zinc/13/35/57/985133557.db2.gz IOFSEPIHCWRJFP-SNVBAGLBSA-N 1 2 237.347 2.586 20 0 BFADLO Cc1nocc1-c1cc(C)c2[nH+]ccn2c1 ZINC001243677955 985186267 /nfs/dbraw/zinc/18/62/67/985186267.db2.gz JYCHMLXKXIQTKA-UHFFFAOYSA-N 1 2 213.240 2.606 20 0 BFADLO CCOC(=[NH2+])c1cccc(-c2cccc(=O)[nH]2)c1 ZINC001243738624 985281064 /nfs/dbraw/zinc/28/10/64/985281064.db2.gz QHAQKGRFANJUHO-UHFFFAOYSA-N 1 2 242.278 2.816 20 0 BFADLO CC/C=C\CNc1cc(CC)[nH+]c(CC)n1 ZINC001458399623 985303086 /nfs/dbraw/zinc/30/30/86/985303086.db2.gz DXQICPQBOLEAFG-FPLPWBNLSA-N 1 2 219.332 2.980 20 0 BFADLO Cc1c(F)nccc1-c1cccc2[nH+]ccn21 ZINC001243778981 985319662 /nfs/dbraw/zinc/31/96/62/985319662.db2.gz MLPFTQXQEKABDT-UHFFFAOYSA-N 1 2 227.242 2.844 20 0 BFADLO CNc1cc(-c2ccnc(F)c2C)cc[nH+]1 ZINC001243782858 985330471 /nfs/dbraw/zinc/33/04/71/985330471.db2.gz XGOOMZVWVJEYGS-UHFFFAOYSA-N 1 2 217.247 2.633 20 0 BFADLO c1cn(CCSc2ccc3n[nH]cc3c2)c[nH+]1 ZINC001459131335 985387599 /nfs/dbraw/zinc/38/75/99/985387599.db2.gz QOKJXZUXFPNQKR-UHFFFAOYSA-N 1 2 244.323 2.552 20 0 BFADLO CCc1cn(Cc2ccc(C)c(F)c2)c[nH+]1 ZINC001459259807 985416327 /nfs/dbraw/zinc/41/63/27/985416327.db2.gz JMVNJYFLFKZRMZ-UHFFFAOYSA-N 1 2 218.275 2.941 20 0 BFADLO CCc1cn(CCOCC2CCCC2)c[nH+]1 ZINC001459257883 985422088 /nfs/dbraw/zinc/42/20/88/985422088.db2.gz DAUGOSPRCFKXDZ-UHFFFAOYSA-N 1 2 222.332 2.652 20 0 BFADLO OCCc1ccc(-c2cccc3[nH+]ccn32)cc1 ZINC001243846858 985468580 /nfs/dbraw/zinc/46/85/80/985468580.db2.gz PVCBTUAVAQRJCJ-UHFFFAOYSA-N 1 2 238.290 2.536 20 0 BFADLO Sc1ccc(/C=C/C2CC[NH2+]CC2)cc1 ZINC001243894372 985573688 /nfs/dbraw/zinc/57/36/88/985573688.db2.gz WSUHHUZBFSELQC-OWOJBTEDSA-N 1 2 219.353 2.988 20 0 BFADLO Cc1cc2c(ncnc2C2=C[NH2+]CCC2)s1 ZINC001243947535 985622550 /nfs/dbraw/zinc/62/25/50/985622550.db2.gz KYXYXEHPSPVOJU-UHFFFAOYSA-N 1 2 231.324 2.724 20 0 BFADLO Cc1ccc(-c2ccc3c(c2)NCC3)[nH+]c1N ZINC001244014986 985735268 /nfs/dbraw/zinc/73/52/68/985735268.db2.gz DWBLVWINXCSKFG-UHFFFAOYSA-N 1 2 225.295 2.607 20 0 BFADLO C[C@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000083119668 985754617 /nfs/dbraw/zinc/75/46/17/985754617.db2.gz YVRZBXCQFAAQBP-VIFPVBQESA-N 1 2 220.247 2.665 20 0 BFADLO Cn1c[nH+]cc1-c1ccc(OCC(F)F)cc1 ZINC001244069403 985791908 /nfs/dbraw/zinc/79/19/08/985791908.db2.gz JKZLSUZAKCTBIQ-UHFFFAOYSA-N 1 2 238.237 2.731 20 0 BFADLO CSC(C)(C)C[C@H](C)[NH+]1CC(F)C1 ZINC001258332219 985811914 /nfs/dbraw/zinc/81/19/14/985811914.db2.gz VEURVOAPLXDGLX-QMMMGPOBSA-N 1 2 205.342 2.560 20 0 BFADLO CO[C@@H]1CC=C(Nc2[nH+]c(C)ccc2O)CC1 ZINC001212873793 985826515 /nfs/dbraw/zinc/82/65/15/985826515.db2.gz VCTGFSKPXKRTLT-LLVKDONJSA-N 1 2 234.299 2.590 20 0 BFADLO CO[C@@H]1CC=C([NH2+]c2ccc[nH]c2=S)CC1 ZINC001212875723 985835785 /nfs/dbraw/zinc/83/57/85/985835785.db2.gz UPDMVVHREHXHFC-SNVBAGLBSA-N 1 2 236.340 2.865 20 0 BFADLO Nc1cc(-c2ccccc2N2CCCC2)cc[nH+]1 ZINC001244181972 985878529 /nfs/dbraw/zinc/87/85/29/985878529.db2.gz KMUHSRIIXYWSOK-UHFFFAOYSA-N 1 2 239.322 2.931 20 0 BFADLO CCc1cccc(Nc2ccc(CCO)cc2)[nH+]1 ZINC001212927522 985930119 /nfs/dbraw/zinc/93/01/19/985930119.db2.gz JTYHWMUVKFCBTI-UHFFFAOYSA-N 1 2 242.322 2.922 20 0 BFADLO [NH3+]CCOc1cccc(-c2ccccc2S)c1 ZINC001244322804 985951328 /nfs/dbraw/zinc/95/13/28/985951328.db2.gz XOKZYWNVNNORMZ-UHFFFAOYSA-N 1 2 245.347 2.980 20 0 BFADLO Cc1ccc(-c2cc[nH+]c(N(C)C)c2)c(N)c1 ZINC001244390955 986027557 /nfs/dbraw/zinc/02/75/57/986027557.db2.gz HLEDPSACZDJLQH-UHFFFAOYSA-N 1 2 227.311 2.705 20 0 BFADLO CC[NH+](CC)c1ccc(Nc2nnco2)cc1 ZINC001212968368 986083916 /nfs/dbraw/zinc/08/39/16/986083916.db2.gz YVQCJHXEXFXVGR-UHFFFAOYSA-N 1 2 232.287 2.659 20 0 BFADLO Cc1ccc(O)cc1-c1ccn2cc(N)[nH+]c2c1 ZINC001244449529 986109848 /nfs/dbraw/zinc/10/98/48/986109848.db2.gz GFUSTQFGHXUEIY-UHFFFAOYSA-N 1 2 239.278 2.598 20 0 BFADLO CCn1ncc(NCc2cc(C)[nH+]c(C)c2)c1C ZINC001461727216 986129596 /nfs/dbraw/zinc/12/95/96/986129596.db2.gz GKHNCXXTNZDMBW-UHFFFAOYSA-N 1 2 244.342 2.835 20 0 BFADLO Cn1cc(Cl)c(C[NH2+]C(C)(C)/C=C\Cl)n1 ZINC001461768206 986149900 /nfs/dbraw/zinc/14/99/00/986149900.db2.gz YBCUVTNZFTULQC-PLNGDYQASA-N 1 2 248.157 2.694 20 0 BFADLO Cc1ccc(-c2ccc3[nH+]ccn3c2)c(CO)c1 ZINC001244488911 986184057 /nfs/dbraw/zinc/18/40/57/986184057.db2.gz CIULSKQYIPWKGT-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO C[N@H+](Cc1c(Cl)ccnc1F)C1CCC1 ZINC001461923592 986226918 /nfs/dbraw/zinc/22/69/18/986226918.db2.gz AJCXRCBDOZDMRL-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO C[N@@H+](Cc1c(Cl)ccnc1F)C1CCC1 ZINC001461923592 986226938 /nfs/dbraw/zinc/22/69/38/986226938.db2.gz AJCXRCBDOZDMRL-UHFFFAOYSA-N 1 2 228.698 2.858 20 0 BFADLO Cc1cc(CO)ccc1-c1ccn2cc[nH+]c2c1 ZINC001244580723 986262830 /nfs/dbraw/zinc/26/28/30/986262830.db2.gz ARTVJKOBGNOLQW-UHFFFAOYSA-N 1 2 238.290 2.802 20 0 BFADLO CC(=O)c1cc(-c2cc[nH+]c3c2CCN3)cs1 ZINC001244630325 986293163 /nfs/dbraw/zinc/29/31/63/986293163.db2.gz IRDRWESNKHOEDJ-UHFFFAOYSA-N 1 2 244.319 2.981 20 0 BFADLO COCOc1c(C)cccc1/C(C)=C/C=C/[NH3+] ZINC001244659644 986297629 /nfs/dbraw/zinc/29/76/29/986297629.db2.gz YDFJBHYASGZMMF-TWHYHQCRSA-N 1 2 233.311 2.853 20 0 BFADLO COc1cc(-c2cc(C)[nH+]c(C)c2)ccc1CO ZINC001244662140 986298858 /nfs/dbraw/zinc/29/88/58/986298858.db2.gz FXGNWMOPFIEHTA-UHFFFAOYSA-N 1 2 243.306 2.866 20 0 BFADLO Cc1oc(-c2cccs2)nc1C[NH2+]CCF ZINC001462170678 986302311 /nfs/dbraw/zinc/30/23/11/986302311.db2.gz MDGWRWLBRDLXJK-UHFFFAOYSA-N 1 2 240.303 2.771 20 0 BFADLO CC(=O)c1ccc(-c2ccc[nH+]c2N)c(F)c1F ZINC001244704605 986313348 /nfs/dbraw/zinc/31/33/48/986313348.db2.gz RNGIXPTWMSVEGH-UHFFFAOYSA-N 1 2 248.232 2.812 20 0 BFADLO Cc1cc(-c2c(C)cc(CO)cc2C)c[nH+]c1N ZINC001244695748 986314916 /nfs/dbraw/zinc/31/49/16/986314916.db2.gz WJVSRMGPBSIXIS-UHFFFAOYSA-N 1 2 242.322 2.748 20 0 BFADLO Cc1cc(-c2cc(F)cc(N(C)C)c2)c[nH+]c1N ZINC001244799430 986342853 /nfs/dbraw/zinc/34/28/53/986342853.db2.gz YAPNVDQUDAIKMN-UHFFFAOYSA-N 1 2 245.301 2.844 20 0 BFADLO Fc1ccc2oc(C[NH+]3CC4(CCC4)C3)nc2c1 ZINC001462321346 986350527 /nfs/dbraw/zinc/35/05/27/986350527.db2.gz CTZGDCKKDJAJMT-UHFFFAOYSA-N 1 2 246.285 2.953 20 0 BFADLO CNc1cc(F)cc(-c2ccc(C)c(N)[nH+]2)c1 ZINC001244825657 986359738 /nfs/dbraw/zinc/35/97/38/986359738.db2.gz KKLLIFAINHRQRV-UHFFFAOYSA-N 1 2 231.274 2.820 20 0 BFADLO CC(C)[C@H](O)CNc1ccc2ccc[nH+]c2c1 ZINC001253768780 986392999 /nfs/dbraw/zinc/39/29/99/986392999.db2.gz HRZAFJKSMZYSJR-CQSZACIVSA-N 1 2 230.311 2.664 20 0 BFADLO COC1CC(CNc2c[nH+]c(C)c(C)c2)C1 ZINC001462537444 986419602 /nfs/dbraw/zinc/41/96/02/986419602.db2.gz MZYMJFXTXJKPEC-UHFFFAOYSA-N 1 2 220.316 2.535 20 0 BFADLO OCc1ccc(-c2ccc3[nH+]ccn3c2)c(F)c1 ZINC001244909112 986440224 /nfs/dbraw/zinc/44/02/24/986440224.db2.gz GAEPHLNRJYDAPI-UHFFFAOYSA-N 1 2 242.253 2.633 20 0 BFADLO CNc1cc(-c2ccc3nsnc3c2)cc[nH+]1 ZINC001244972728 986549091 /nfs/dbraw/zinc/54/90/91/986549091.db2.gz JADFXSIOWHWHCQ-UHFFFAOYSA-N 1 2 242.307 2.795 20 0 BFADLO CNc1cc(-c2ccnc(OC)c2C)cc[nH+]1 ZINC001244974126 986553257 /nfs/dbraw/zinc/55/32/57/986553257.db2.gz YCKBOADJZHMKFG-UHFFFAOYSA-N 1 2 229.283 2.502 20 0 BFADLO CNc1cc(-c2cnc3[nH]ccc3c2C)cc[nH+]1 ZINC001244973305 986554436 /nfs/dbraw/zinc/55/44/36/986554436.db2.gz LRGXUYBBUCLOGY-UHFFFAOYSA-N 1 2 238.294 2.927 20 0 BFADLO CNc1cc(-c2cccc3cnncc32)cc[nH+]1 ZINC001244976052 986562517 /nfs/dbraw/zinc/56/25/17/986562517.db2.gz NLQCMCNLSTUOFO-UHFFFAOYSA-N 1 2 236.278 2.734 20 0 BFADLO Nc1cccc2c1cc[nH+]c2N1CCC(F)CC1 ZINC000689431586 986605046 /nfs/dbraw/zinc/60/50/46/986605046.db2.gz XERBNXLHTXVEEW-UHFFFAOYSA-N 1 2 245.301 2.755 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(F)cc(C(C)(C)O)c1 ZINC001245144374 986672532 /nfs/dbraw/zinc/67/25/32/986672532.db2.gz GNDYFSDHBYUDJQ-GQYICFGZSA-N 1 2 235.302 2.929 20 0 BFADLO Cc1ccc2ncc(C[N@H+]3C[C@H](F)C[C@H]3C)n2c1 ZINC001137304594 986736424 /nfs/dbraw/zinc/73/64/24/986736424.db2.gz ASYSMLQKVPHWGQ-VXGBXAGGSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1ccc2ncc(C[N@@H+]3C[C@H](F)C[C@H]3C)n2c1 ZINC001137304594 986736432 /nfs/dbraw/zinc/73/64/32/986736432.db2.gz ASYSMLQKVPHWGQ-VXGBXAGGSA-N 1 2 247.317 2.575 20 0 BFADLO Cc1cc(C)c(C[N@H+](C)Cc2cncs2)[nH]1 ZINC001137332008 986787485 /nfs/dbraw/zinc/78/74/85/986787485.db2.gz CLEQPYJRNIVJOI-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO Cc1cc(C)c(C[N@@H+](C)Cc2cncs2)[nH]1 ZINC001137332008 986787495 /nfs/dbraw/zinc/78/74/95/986787495.db2.gz CLEQPYJRNIVJOI-UHFFFAOYSA-N 1 2 235.356 2.720 20 0 BFADLO F[C@@H]1CCCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC001137344981 986810354 /nfs/dbraw/zinc/81/03/54/986810354.db2.gz LZWFXFOKKBUGOX-LLVKDONJSA-N 1 2 247.317 2.887 20 0 BFADLO F[C@@H]1CCCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC001137344981 986810357 /nfs/dbraw/zinc/81/03/57/986810357.db2.gz LZWFXFOKKBUGOX-LLVKDONJSA-N 1 2 247.317 2.887 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)[nH]2)CCO1 ZINC001137371929 986835993 /nfs/dbraw/zinc/83/59/93/986835993.db2.gz CQFOJTMSCYRSFA-LLVKDONJSA-N 1 2 236.359 2.533 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)[nH]2)CCO1 ZINC001137371929 986835995 /nfs/dbraw/zinc/83/59/95/986835995.db2.gz CQFOJTMSCYRSFA-LLVKDONJSA-N 1 2 236.359 2.533 20 0 BFADLO Cc1ccc(-c2cc3cccnc3[nH]2)[nH+]c1N ZINC001245401538 986840502 /nfs/dbraw/zinc/84/05/02/986840502.db2.gz ZFMGSSKCALZCJD-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO C[N@H+](Cc1ccc(C(C)(C)C)[nH]1)C1(C)COC1 ZINC001137377869 986842847 /nfs/dbraw/zinc/84/28/47/986842847.db2.gz KBSXIHRDBIUYGQ-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO C[N@@H+](Cc1ccc(C(C)(C)C)[nH]1)C1(C)COC1 ZINC001137377869 986842853 /nfs/dbraw/zinc/84/28/53/986842853.db2.gz KBSXIHRDBIUYGQ-UHFFFAOYSA-N 1 2 236.359 2.533 20 0 BFADLO CN(C)c1cc(-c2cc3cccnc3[nH]2)cc[nH+]1 ZINC001245404704 986846895 /nfs/dbraw/zinc/84/68/95/986846895.db2.gz QEDRBNDDKSTSCV-UHFFFAOYSA-N 1 2 238.294 2.691 20 0 BFADLO Cc1cc(-c2cnc3ccccc3n2)c[nH+]c1N ZINC001245536268 986912923 /nfs/dbraw/zinc/91/29/23/986912923.db2.gz NTBSMHMZYLSZLO-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2ccc3cc[nH]c3n2)c[nH+]c1N ZINC001245536419 986913077 /nfs/dbraw/zinc/91/30/77/986913077.db2.gz PSHKVFBMEYZHFU-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO Cc1cc2[nH]cnc2cc1-c1c[nH+]c(N)c(C)c1 ZINC001245536770 986913503 /nfs/dbraw/zinc/91/35/03/986913503.db2.gz MFLFHPGCEPTYCR-UHFFFAOYSA-N 1 2 238.294 2.824 20 0 BFADLO Cc1cc(-c2nccc3cc[nH]c32)c[nH+]c1N ZINC001245536624 986914588 /nfs/dbraw/zinc/91/45/88/986914588.db2.gz VAUHAUBRZDUNSQ-UHFFFAOYSA-N 1 2 224.267 2.516 20 0 BFADLO CCc1cccnc1-c1c[nH+]c(N)c(C)c1 ZINC001245536179 986914808 /nfs/dbraw/zinc/91/48/08/986914808.db2.gz QNIWAMYQEBLYQK-UHFFFAOYSA-N 1 2 213.284 2.597 20 0 BFADLO Cc1cc(-c2cccc(C3CC3)n2)c[nH+]c1N ZINC001245537272 986919357 /nfs/dbraw/zinc/91/93/57/986919357.db2.gz IADGWHIFEKKJBH-UHFFFAOYSA-N 1 2 225.295 2.912 20 0 BFADLO Cc1cc(-c2cccc3cncnc32)c[nH+]c1N ZINC001245537310 986921380 /nfs/dbraw/zinc/92/13/80/986921380.db2.gz BIBFJKYVPQOEHZ-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc(-c2cncc3cccnc32)c[nH+]c1N ZINC001245537411 986921655 /nfs/dbraw/zinc/92/16/55/986921655.db2.gz CTTPKNOEAYILIL-UHFFFAOYSA-N 1 2 236.278 2.582 20 0 BFADLO Cc1cc2nccn2cc1-c1c[nH+]c(N)c(C)c1 ZINC001245539137 986924913 /nfs/dbraw/zinc/92/49/13/986924913.db2.gz RHFSFMBJYGFMOB-UHFFFAOYSA-N 1 2 238.294 2.595 20 0 BFADLO COCc1ccc(F)c(-c2c[nH+]c(N)c(C)c2)c1 ZINC001245540107 986925042 /nfs/dbraw/zinc/92/50/42/986925042.db2.gz RBKUNHYLYUAFRV-UHFFFAOYSA-N 1 2 246.285 2.925 20 0 BFADLO C/C(=C\C=C\[NH3+])c1cc(C)c(CO)cc1C ZINC001245699910 987068124 /nfs/dbraw/zinc/06/81/24/987068124.db2.gz ZUJFAOSPESPBNK-GQYICFGZSA-N 1 2 217.312 2.671 20 0 BFADLO COc1ccc(-c2c[nH+]c(N)c(C)c2)c(Cl)n1 ZINC001245874823 987097034 /nfs/dbraw/zinc/09/70/34/987097034.db2.gz JUJLEQYHHRDLSY-UHFFFAOYSA-N 1 2 249.701 2.696 20 0 BFADLO CCc1cc(N2CC(C(C)C)C2)nc(CC)[nH+]1 ZINC001472731811 987276097 /nfs/dbraw/zinc/27/60/97/987276097.db2.gz AVJUOLBLGINFLA-UHFFFAOYSA-N 1 2 233.359 2.694 20 0 BFADLO CCc1cc(NC2CC=CC2)nc(CC)[nH+]1 ZINC001472824302 987286771 /nfs/dbraw/zinc/28/67/71/987286771.db2.gz UZMZCCHRYHDQAS-UHFFFAOYSA-N 1 2 217.316 2.732 20 0 BFADLO COc1ccccc1Cc1cn(CSC)c[nH+]1 ZINC001473100805 987332285 /nfs/dbraw/zinc/33/22/85/987332285.db2.gz HKPZNHUWTBISLI-UHFFFAOYSA-N 1 2 248.351 2.803 20 0 BFADLO Cc1cc(C[N@H+](C)CCCc2ccccc2)n[nH]1 ZINC001116442896 987582108 /nfs/dbraw/zinc/58/21/08/987582108.db2.gz WDAXRKBPUBZECH-UHFFFAOYSA-N 1 2 243.354 2.783 20 0 BFADLO Cc1cc(C[N@@H+](C)CCCc2ccccc2)n[nH]1 ZINC001116442896 987582114 /nfs/dbraw/zinc/58/21/14/987582114.db2.gz WDAXRKBPUBZECH-UHFFFAOYSA-N 1 2 243.354 2.783 20 0 BFADLO CCC[C@H](C)CC[C@H](C)N[C@H]1C[NH2+]CC[C@H]1F ZINC001246218205 987616205 /nfs/dbraw/zinc/61/62/05/987616205.db2.gz PGLXRPSKDMLOJS-FQUUOJAGSA-N 1 2 244.398 2.881 20 0 BFADLO CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CNCC[C@H]1F ZINC001246218205 987616207 /nfs/dbraw/zinc/61/62/07/987616207.db2.gz PGLXRPSKDMLOJS-FQUUOJAGSA-N 1 2 244.398 2.881 20 0 BFADLO c1cc2cc(NCc3cnsc3)[nH+]cc2[nH]1 ZINC001474193665 987658354 /nfs/dbraw/zinc/65/83/54/987658354.db2.gz SJWJOUWUNFSTQR-UHFFFAOYSA-N 1 2 230.296 2.632 20 0 BFADLO C[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)CC1)n1cc[nH+]c1 ZINC001116717697 987679183 /nfs/dbraw/zinc/67/91/83/987679183.db2.gz USQQVGYEUUDQTH-FRRDWIJNSA-N 1 2 249.358 2.529 20 0 BFADLO COCC[N@H+](CC(F)F)CC1(C)CCCC1 ZINC001474313355 987685549 /nfs/dbraw/zinc/68/55/49/987685549.db2.gz ZUPOEQDBACAMCQ-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO COCC[N@@H+](CC(F)F)CC1(C)CCCC1 ZINC001474313355 987685556 /nfs/dbraw/zinc/68/55/56/987685556.db2.gz ZUPOEQDBACAMCQ-UHFFFAOYSA-N 1 2 235.318 2.780 20 0 BFADLO CCN(C(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001117926892 987958330 /nfs/dbraw/zinc/95/83/30/987958330.db2.gz XQFQNGGEPAJLEG-UHFFFAOYSA-N 1 2 245.326 2.595 20 0 BFADLO CCC(CC)[C@@H](C)c1nnc(C[NH+](C)C)o1 ZINC001322400470 988245744 /nfs/dbraw/zinc/24/57/44/988245744.db2.gz SDCCILYFOIPCDG-SECBINFHSA-N 1 2 225.336 2.671 20 0 BFADLO CC(C)CCCCc1nnc(C[NH+](C)C)o1 ZINC001118372563 988276030 /nfs/dbraw/zinc/27/60/30/988276030.db2.gz YSOLBKMRKOPAFU-UHFFFAOYSA-N 1 2 225.336 2.500 20 0 BFADLO CCC[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CCC1 ZINC001324992370 989046549 /nfs/dbraw/zinc/04/65/49/989046549.db2.gz GRDXFJCNRCSIDZ-DGCLKSJQSA-N 1 2 249.358 2.529 20 0 BFADLO CCc1ccc(N2CCCO[C@@H](C(C)C)C2)[nH+]c1 ZINC001515784705 989111888 /nfs/dbraw/zinc/11/18/88/989111888.db2.gz GJOKDHLZXVKYLU-CQSZACIVSA-N 1 2 248.370 2.895 20 0 BFADLO CCc1ccc(N2CC[C@H](O)CC(C)(C)C2)[nH+]c1 ZINC001515805158 989121450 /nfs/dbraw/zinc/12/14/50/989121450.db2.gz QLQSTIVRVCSAEN-ZDUSSCGKSA-N 1 2 248.370 2.631 20 0 BFADLO CCc1ccc(N2CCC(F)CC2)[nH+]c1 ZINC001515968045 989131842 /nfs/dbraw/zinc/13/18/42/989131842.db2.gz AXXYFNPLFCYLIH-UHFFFAOYSA-N 1 2 208.280 2.582 20 0 BFADLO C[C@@H](C(=O)NCC1CCCCCC1)n1cc[nH+]c1 ZINC001325295626 989145560 /nfs/dbraw/zinc/14/55/60/989145560.db2.gz IKSFAWMEWKJFGW-LBPRGKRZSA-N 1 2 249.358 2.531 20 0 BFADLO CCSc1ccccc1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001249440126 989284792 /nfs/dbraw/zinc/28/47/92/989284792.db2.gz YIJQUOSAIVCZNO-BETUJISGSA-N 1 2 249.379 2.772 20 0 BFADLO CCSc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001249440126 989284801 /nfs/dbraw/zinc/28/48/01/989284801.db2.gz YIJQUOSAIVCZNO-BETUJISGSA-N 1 2 249.379 2.772 20 0 BFADLO Cc1cc(C[N@H+](C)CCc2ccccn2)ns1 ZINC001249571168 989312024 /nfs/dbraw/zinc/31/20/24/989312024.db2.gz MLNGFPXNVUFIKL-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1cc(C[N@@H+](C)CCc2ccccn2)ns1 ZINC001249571168 989312032 /nfs/dbraw/zinc/31/20/32/989312032.db2.gz MLNGFPXNVUFIKL-UHFFFAOYSA-N 1 2 247.367 2.521 20 0 BFADLO Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)on1 ZINC001249584032 989317085 /nfs/dbraw/zinc/31/70/85/989317085.db2.gz OYKZEEZZYYJARV-UHFFFAOYSA-N 1 2 243.188 2.562 20 0 BFADLO Cc1conc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249583654 989317353 /nfs/dbraw/zinc/31/73/53/989317353.db2.gz LCXMOFBEXQNLRY-UHFFFAOYSA-N 1 2 243.188 2.562 20 0 BFADLO CCOC(=O)C1([NH2+]CC2=CCCC2)CCCC1 ZINC001326320913 989496357 /nfs/dbraw/zinc/49/63/57/989496357.db2.gz WHQLDXFXJVUKJR-UHFFFAOYSA-N 1 2 237.343 2.562 20 0 BFADLO C[C@H](C(=O)N[C@@H](C)C1CCCCC1)n1cc[nH+]c1 ZINC001326630609 989636000 /nfs/dbraw/zinc/63/60/00/989636000.db2.gz BKVDQKAJLIVTJI-NWDGAFQWSA-N 1 2 249.358 2.529 20 0 BFADLO C[C@H](C(=O)N[C@@]1(C)CCCC[C@H]1C)n1cc[nH+]c1 ZINC001326728715 989669841 /nfs/dbraw/zinc/66/98/41/989669841.db2.gz CEQXTTQSRIRMFY-BZPMIXESSA-N 1 2 249.358 2.529 20 0 BFADLO Cc1cc(F)cc(N2CC3CC2(C)C3)[nH+]1 ZINC001120862703 989930791 /nfs/dbraw/zinc/93/07/91/989930791.db2.gz JSFRLPMFZKKMOH-UHFFFAOYSA-N 1 2 206.264 2.518 20 0 BFADLO Cc1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC001120906305 989957787 /nfs/dbraw/zinc/95/77/87/989957787.db2.gz HFKXQHAJSAJARD-UHFFFAOYSA-N 1 2 248.355 2.559 20 0 BFADLO CCc1ccc(N[C@@H](C)Cc2cc(C)[nH]n2)[nH+]c1 ZINC001120911503 989963814 /nfs/dbraw/zinc/96/38/14/989963814.db2.gz USZNRWRYTXYXID-JTQLQIEISA-N 1 2 244.342 2.719 20 0 BFADLO CCc1ccc(N[C@@H](C)Cc2cc(C)n[nH]2)[nH+]c1 ZINC001120911503 989963825 /nfs/dbraw/zinc/96/38/25/989963825.db2.gz USZNRWRYTXYXID-JTQLQIEISA-N 1 2 244.342 2.719 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)C=C1CCCCC1 ZINC001121138935 990021702 /nfs/dbraw/zinc/02/17/02/990021702.db2.gz FTVGPQGBBRUOJH-UHFFFAOYSA-N 1 2 244.338 2.949 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001121138952 990022243 /nfs/dbraw/zinc/02/22/43/990022243.db2.gz GEENATYEICSHDU-MFKMUULPSA-N 1 2 246.354 2.885 20 0 BFADLO Cc1c[nH+]cc(C)c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001121230934 990055010 /nfs/dbraw/zinc/05/50/10/990055010.db2.gz GQEKUYRMHQBNSV-IUODEOHRSA-N 1 2 246.354 2.741 20 0 BFADLO CC[C@@H](F)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001525657714 990064845 /nfs/dbraw/zinc/06/48/45/990064845.db2.gz OXRUXJYFDPIGSW-GFCCVEGCSA-N 1 2 247.273 2.559 20 0 BFADLO Cc1cc(NC(=O)C2(C)C(C)(C)C2(C)C)cc[nH+]1 ZINC001535593228 990474026 /nfs/dbraw/zinc/47/40/26/990474026.db2.gz JMFSLWHJPZKEQN-UHFFFAOYSA-N 1 2 246.354 2.823 20 0 BFADLO Cc1cc(F)cc(N2CCC(CF)CC2)[nH+]1 ZINC001548517630 990765801 /nfs/dbraw/zinc/76/58/01/990765801.db2.gz CWPWWCQWPKIACQ-UHFFFAOYSA-N 1 2 226.270 2.715 20 0 BFADLO Fc1ccc(C[NH+]2CC3CC(C3)C2)c(F)c1F ZINC001137941644 990870618 /nfs/dbraw/zinc/87/06/18/990870618.db2.gz ZVKCLAQDFVPERQ-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO Cc1ccc2[nH]c(C[N@H+]3CCOC[C@H]3C)cc2c1 ZINC001138419001 990943834 /nfs/dbraw/zinc/94/38/34/990943834.db2.gz JDHLTVPKFQUKPI-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO Cc1ccc2[nH]c(C[N@@H+]3CCOC[C@H]3C)cc2c1 ZINC001138419001 990943837 /nfs/dbraw/zinc/94/38/37/990943837.db2.gz JDHLTVPKFQUKPI-GFCCVEGCSA-N 1 2 244.338 2.697 20 0 BFADLO CCc1cc(N2CCC[C@H]2CC)nc(CC)[nH+]1 ZINC001559107362 991035863 /nfs/dbraw/zinc/03/58/63/991035863.db2.gz YNIVIGORMHJBRS-GFCCVEGCSA-N 1 2 233.359 2.980 20 0 BFADLO CCc1cc(N(C)C2CCC2)nc(CC)[nH+]1 ZINC001559118713 991039155 /nfs/dbraw/zinc/03/91/55/991039155.db2.gz LXCYCSRWKNMKTL-UHFFFAOYSA-N 1 2 219.332 2.590 20 0 BFADLO CCc1cc(N2CC[C@H](C3CC3)C2)nc(CC)[nH+]1 ZINC001559143108 991043200 /nfs/dbraw/zinc/04/32/00/991043200.db2.gz KHRBEZHAKKJUSN-LBPRGKRZSA-N 1 2 245.370 2.838 20 0 BFADLO Fc1ncccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001138787121 991050140 /nfs/dbraw/zinc/05/01/40/991050140.db2.gz CJZOBXDICCAPCL-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO Fc1ncccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001138787121 991050148 /nfs/dbraw/zinc/05/01/48/991050148.db2.gz CJZOBXDICCAPCL-VIFPVBQESA-N 1 2 248.223 2.605 20 0 BFADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccnc1F ZINC001138793243 991057257 /nfs/dbraw/zinc/05/72/57/991057257.db2.gz GBTFSFRETXFUIF-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccnc1F ZINC001138793243 991057268 /nfs/dbraw/zinc/05/72/68/991057268.db2.gz GBTFSFRETXFUIF-LLVKDONJSA-N 1 2 245.301 2.599 20 0 BFADLO C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CCC1=O ZINC001138822578 991074919 /nfs/dbraw/zinc/07/49/19/991074919.db2.gz KBICQMWDYWCVNT-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCC1=O ZINC001138822578 991074927 /nfs/dbraw/zinc/07/49/27/991074927.db2.gz KBICQMWDYWCVNT-LLVKDONJSA-N 1 2 243.306 2.844 20 0 BFADLO C[NH+](C)Cc1ccc(Br)nc1Cl ZINC001139108590 991145378 /nfs/dbraw/zinc/14/53/78/991145378.db2.gz VTMRAFUUOGULMR-UHFFFAOYSA-N 1 2 249.539 2.559 20 0 BFADLO CC(C)(C)c1coc(C[N@@H+]2CC[C@H]3C[C@H]32)n1 ZINC001559718175 991224322 /nfs/dbraw/zinc/22/43/22/991224322.db2.gz KBPSDPZMQIWKIL-VHSXEESVSA-N 1 2 220.316 2.566 20 0 BFADLO CC(C)(C)c1coc(C[N@H+]2CC[C@H]3C[C@H]32)n1 ZINC001559718175 991224330 /nfs/dbraw/zinc/22/43/30/991224330.db2.gz KBPSDPZMQIWKIL-VHSXEESVSA-N 1 2 220.316 2.566 20 0 BFADLO Cc1cnc(C[N@@H+]2CCCC[C@H](F)C2)s1 ZINC001139808788 991378534 /nfs/dbraw/zinc/37/85/34/991378534.db2.gz GOULFHRLNYOUHF-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO Cc1cnc(C[N@H+]2CCCC[C@H](F)C2)s1 ZINC001139808788 991378541 /nfs/dbraw/zinc/37/85/41/991378541.db2.gz GOULFHRLNYOUHF-JTQLQIEISA-N 1 2 228.336 2.776 20 0 BFADLO Fc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccn1 ZINC001139830882 991384529 /nfs/dbraw/zinc/38/45/29/991384529.db2.gz NEUMTUXBCTYGTE-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Fc1cc(C[N@@H+]2CCCC[C@@H](F)C2)ccn1 ZINC001139830882 991384535 /nfs/dbraw/zinc/38/45/35/991384535.db2.gz NEUMTUXBCTYGTE-LLVKDONJSA-N 1 2 226.270 2.545 20 0 BFADLO Cc1ccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)cn1 ZINC001139929075 991424413 /nfs/dbraw/zinc/42/44/13/991424413.db2.gz MDWSTHPMOGAHAL-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO Cc1ccc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)cn1 ZINC001139929075 991424417 /nfs/dbraw/zinc/42/44/17/991424417.db2.gz MDWSTHPMOGAHAL-STQMWFEESA-N 1 2 240.297 2.662 20 0 BFADLO CN(C)c1ccc(F)cc1CNc1cccc[nH+]1 ZINC001560278692 991447774 /nfs/dbraw/zinc/44/77/74/991447774.db2.gz TXNZLIBXCZVDNL-UHFFFAOYSA-N 1 2 245.301 2.899 20 0 BFADLO CC(C)C[NH2+]c1ccc(N2CCC(O)CC2)cc1 ZINC001560276421 991449355 /nfs/dbraw/zinc/44/93/55/991449355.db2.gz BIMITJLETSQQJZ-UHFFFAOYSA-N 1 2 248.370 2.716 20 0 BFADLO Oc1ccc(C[N@@H+]2CCCC[C@H](F)C2)c(F)c1 ZINC001140124198 991519683 /nfs/dbraw/zinc/51/96/83/991519683.db2.gz DXNJUNNJEJSVMK-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Oc1ccc(C[N@H+]2CCCC[C@H](F)C2)c(F)c1 ZINC001140124198 991519692 /nfs/dbraw/zinc/51/96/92/991519692.db2.gz DXNJUNNJEJSVMK-NSHDSACASA-N 1 2 241.281 2.855 20 0 BFADLO Cc1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(F)c1 ZINC001560693136 991556978 /nfs/dbraw/zinc/55/69/78/991556978.db2.gz YBSCMAKNTVCHRG-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO Cc1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c(F)c1 ZINC001560693136 991556989 /nfs/dbraw/zinc/55/69/89/991556989.db2.gz YBSCMAKNTVCHRG-NWDGAFQWSA-N 1 2 237.318 2.743 20 0 BFADLO CCCCC[C@@H](CCC)[NH+]1CC(F)(CO)C1 ZINC001258667592 991609883 /nfs/dbraw/zinc/60/98/83/991609883.db2.gz PACOLBPKPRTJEM-GFCCVEGCSA-N 1 2 231.355 2.752 20 0 BFADLO CC[N@H+](Cc1ccncn1)Cc1ccccc1F ZINC001140348042 991619471 /nfs/dbraw/zinc/61/94/71/991619471.db2.gz HUMKBGWPMYCMRT-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO CC[N@@H+](Cc1ccncn1)Cc1ccccc1F ZINC001140348042 991619475 /nfs/dbraw/zinc/61/94/75/991619475.db2.gz HUMKBGWPMYCMRT-UHFFFAOYSA-N 1 2 245.301 2.638 20 0 BFADLO Cc1ccc(Cl)nc1C[NH+]1CC(C)(C)C1 ZINC001140440859 991637375 /nfs/dbraw/zinc/63/73/75/991637375.db2.gz DRQJNEOKTPTIJW-UHFFFAOYSA-N 1 2 224.735 2.885 20 0 BFADLO CO[C@@H](C)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC001560922074 991651145 /nfs/dbraw/zinc/65/11/45/991651145.db2.gz JBLXEXMPCYLBMG-VIFPVBQESA-N 1 2 247.260 2.542 20 0 BFADLO Fc1cc(F)c(C[NH+]2CC3CC(C3)C2)c(F)c1 ZINC001140536972 991661021 /nfs/dbraw/zinc/66/10/21/991661021.db2.gz WVSUWBFPQJUCPJ-UHFFFAOYSA-N 1 2 241.256 2.946 20 0 BFADLO CC(C)c1cncc(NCc2ccc[nH+]c2N)c1 ZINC001561031739 991696036 /nfs/dbraw/zinc/69/60/36/991696036.db2.gz AURNJNBURUMFIU-UHFFFAOYSA-N 1 2 242.326 2.794 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC(=O)[C@H](F)C1 ZINC001258798920 991794212 /nfs/dbraw/zinc/79/42/12/991794212.db2.gz ZEKLKGUCHBBNRB-QJPTWQEYSA-N 1 2 229.339 2.814 20 0 BFADLO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC(=O)[C@H](F)C1 ZINC001258798920 991794221 /nfs/dbraw/zinc/79/42/21/991794221.db2.gz ZEKLKGUCHBBNRB-QJPTWQEYSA-N 1 2 229.339 2.814 20 0 BFADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)[nH]n1 ZINC001319691404 991942204 /nfs/dbraw/zinc/94/22/04/991942204.db2.gz PTILORDNFFOKJR-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)[nH]n1 ZINC001319691404 991942215 /nfs/dbraw/zinc/94/22/15/991942215.db2.gz PTILORDNFFOKJR-JTQLQIEISA-N 1 2 219.288 2.504 20 0 BFADLO CCC(CC)c1noc([C@@H](C)n2cc[nH+]c2)n1 ZINC001320321104 992168134 /nfs/dbraw/zinc/16/81/34/992168134.db2.gz IBHDABGWGXUGFH-SECBINFHSA-N 1 2 234.303 2.779 20 0 BFADLO CCc1ccc(N2CCCC[C@@H](COC)C2)[nH+]c1 ZINC001262692123 993031850 /nfs/dbraw/zinc/03/18/50/993031850.db2.gz ZDPNRQVQWGJFCQ-CQSZACIVSA-N 1 2 248.370 2.897 20 0 BFADLO CCc1occc1C(=O)Nc1c(C)c[nH+]cc1C ZINC001262805239 993068010 /nfs/dbraw/zinc/06/80/10/993068010.db2.gz JXTHARGROFZNCQ-UHFFFAOYSA-N 1 2 244.294 2.528 20 0 BFADLO CCc1cc(-c2c[nH+]ccc2OC)ccc1N ZINC000380000074 993302578 /nfs/dbraw/zinc/30/25/78/993302578.db2.gz XNRDMKOFCQVTBP-UHFFFAOYSA-N 1 2 228.295 2.902 20 0 BFADLO Cc1ccc2[nH]c([C@@H]3CCOC3)[nH+]c2c1C ZINC000380794177 993348601 /nfs/dbraw/zinc/34/86/01/993348601.db2.gz FXGQJIREJTZJBQ-SNVBAGLBSA-N 1 2 216.284 2.684 20 0 BFADLO CCC[C@@H](C)CC(=O)OCc1c[nH+]cn1CC ZINC001263663199 993454568 /nfs/dbraw/zinc/45/45/68/993454568.db2.gz XDWPNTKOWGWYHW-LLVKDONJSA-N 1 2 238.331 2.773 20 0 BFADLO CC[C@H]1CCCC[C@H]1CN1CCCC[NH2+]1 ZINC001577250551 993555621 /nfs/dbraw/zinc/55/56/21/993555621.db2.gz OLGJLCYJVAPGSE-STQMWFEESA-N 1 2 210.365 2.803 20 0 BFADLO Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H]2C)c(C)[nH+]1 ZINC000384551894 993597530 /nfs/dbraw/zinc/59/75/30/993597530.db2.gz GIZINZUGUPRNLH-IRUJWGPZSA-N 1 2 220.316 2.676 20 0 BFADLO Cc1cc(N[C@H]2CCCOC2)[nH+]c2ccccc12 ZINC000385221760 993654573 /nfs/dbraw/zinc/65/45/73/993654573.db2.gz NUMMVZHYXYMZMW-LBPRGKRZSA-N 1 2 242.322 2.556 20 0 BFADLO Cc1cc(NCCOC(C)C)[nH+]c2ccccc12 ZINC000385222420 993657024 /nfs/dbraw/zinc/65/70/24/993657024.db2.gz OBKRLCGMOUYMOL-UHFFFAOYSA-N 1 2 244.338 2.802 20 0 BFADLO CCCOC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000385370275 993660317 /nfs/dbraw/zinc/66/03/17/993660317.db2.gz NUBXKIPSGLJJIW-UHFFFAOYSA-N 1 2 245.282 2.831 20 0 BFADLO COc1nccc(-c2c[nH+]c(N)c(C)c2)c1Cl ZINC000701583515 993893732 /nfs/dbraw/zinc/89/37/32/993893732.db2.gz BEIBMXGQBCKJJR-UHFFFAOYSA-N 1 2 249.701 2.696 20 0 BFADLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000725329911 994099148 /nfs/dbraw/zinc/09/91/48/994099148.db2.gz GEGRQXKONMCUJP-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000725329911 994099161 /nfs/dbraw/zinc/09/91/61/994099161.db2.gz GEGRQXKONMCUJP-ZDUSSCGKSA-N 1 2 237.730 2.893 20 0 BFADLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc[nH]1 ZINC001336748817 995098018 /nfs/dbraw/zinc/09/80/18/995098018.db2.gz YWTPCMUMYBUIPX-MRVPVSSYSA-N 1 2 248.355 2.594 20 0 BFADLO CCNc1ccc(Nc2cc(CC)ncn2)c[nH+]1 ZINC001336967483 995129759 /nfs/dbraw/zinc/12/97/59/995129759.db2.gz ADDDAXGUWKAPHD-UHFFFAOYSA-N 1 2 243.314 2.609 20 0 BFADLO CCc1cc(NC2(CC)CC2)nc(CC)[nH+]1 ZINC001307125553 995289577 /nfs/dbraw/zinc/28/95/77/995289577.db2.gz RFQNVELCRPGIFG-UHFFFAOYSA-N 1 2 219.332 2.956 20 0 BFADLO COc1ccc(F)c(CNc2cc[nH+]c(C)n2)c1 ZINC001307171265 995298771 /nfs/dbraw/zinc/29/87/71/995298771.db2.gz SSHOAQPRRAXUHQ-UHFFFAOYSA-N 1 2 247.273 2.545 20 0 BFADLO CCc1cn(C[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC001307397741 995344834 /nfs/dbraw/zinc/34/48/34/995344834.db2.gz TZIHFZZQLQEACP-VIFPVBQESA-N 1 2 214.259 2.881 20 0 BFADLO